data_11128 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11128 _Entry.Title ; Solution structure of the 3rd fibronectin type III domain from mouse biregional cell adhesion molecule-related/down-regulated oncogenes (Cdon) binding protein ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-03-31 _Entry.Accession_date 2010-03-31 _Entry.Last_release_date 2011-04-01 _Entry.Original_release_date 2011-04-01 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.14 _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.Entry_ID 1 T. Tomizawa . . . 11128 2 T. Kigawa . . . 11128 3 S. Koshiba . . . 11128 4 M. Inoue . . . 11128 5 S. Yokoyama . . . 11128 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID . 'Protein 3000' 'RIKEN Structural Genomics/Proteomics Initiative (RSGI)' . 11128 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11128 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 490 11128 '15N chemical shifts' 113 11128 '1H chemical shifts' 732 11128 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2011-04-01 2010-03-31 original author . 11128 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1X4Y 'BMRB Entry Tracking System' 11128 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 11128 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Solution structure of the 3rd fibronectin type III domain from mouse biregional cell adhesion molecule-related/down-regulated oncogenes (Cdon) binding protein ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _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 . _Citation.Page_last . _Citation.Year . _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.Entry_ID _Citation_author.Citation_ID 1 T. Tomizawa . . . 11128 1 2 T. Kigawa . . . 11128 1 3 S. Koshiba . . . 11128 1 4 M. Inoue . . . 11128 1 5 S. Yokoyama . . . 11128 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11128 _Assembly.ID 1 _Assembly.Name ; biregional cell adhesion molecule-related/down-regulated oncogenes (Cdon)binding protein ; _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'fibronectin type III (fn3) domain' 1 $entity_1 A . yes native no no . . . 11128 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 1x4y . . . . . . 11128 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 11128 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'fibronectin type III (fn3) domain' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSSGSSGPVAGPYITFTDAV NETTIMLKWMYIPASNNNTP IHGFYIYYRPTDSDNDSDYK KDMVEGDRYWHSISHLQPET SYDIKMQCFNEGGESEFSNV MICETKARSGPSSG ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 114 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _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 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1X4Y . "Solution Structure Of The 3rd Fibronectin Type Iii Domain From Mouse Biregional Cell Adhesion Molecule-RelatedDOWN- Regulated O" . . . . . 100.00 114 100.00 100.00 1.57e-78 . . . . 11128 1 2 no PDB 3N1G . "Crystal Structure Of Dhhn Bound To Bocfn3" . . . . . 88.60 111 99.01 100.00 2.03e-69 . . . . 11128 1 3 no PDB 3N1M . "Crystal Structure Of Ihhn Bound To Bocfn3" . . . . . 88.60 111 99.01 100.00 2.03e-69 . . . . 11128 1 4 no PDB 3N1P . "Crystal Structure Of Ihhn Bound To Bocfn3" . . . . . 88.60 111 99.01 100.00 2.03e-69 . . . . 11128 1 5 no GB AAH26443 . "Boc protein, partial [Mus musculus]" . . . . . 88.60 419 100.00 100.00 6.12e-67 . . . . 11128 1 6 no GB AAH56138 . "Boc protein [Mus musculus]" . . . . . 88.60 304 100.00 100.00 3.90e-68 . . . . 11128 1 7 no GB ELK18171 . "Brother of CDO [Pteropus alecto]" . . . . . 88.60 1026 100.00 100.00 2.38e-64 . . . . 11128 1 8 no GB EMP33684 . "Brother of CDO [Chelonia mydas]" . . . . . 88.60 985 98.02 100.00 4.28e-64 . . . . 11128 1 9 no GB EOB00737 . "Brother of CDO [Anas platyrhynchos]" . . . . . 88.60 462 98.02 100.00 6.65e-66 . . . . 11128 1 10 no REF XP_004323219 . "PREDICTED: brother of CDO-like, partial [Tursiops truncatus]" . . . . . 68.42 382 100.00 100.00 6.72e-49 . . . . 11128 1 11 no REF XP_004706542 . "PREDICTED: brother of CDO [Echinops telfairi]" . . . . . 88.60 1106 100.00 100.00 1.24e-63 . . . . 11128 1 12 no REF XP_004938270 . "PREDICTED: brother of CDO isoform X8 [Gallus gallus]" . . . . . 87.72 1256 97.00 99.00 5.38e-61 . . . . 11128 1 13 no REF XP_004938271 . "PREDICTED: brother of CDO isoform X9 [Gallus gallus]" . . . . . 87.72 1254 97.00 99.00 5.36e-61 . . . . 11128 1 14 no REF XP_004938272 . "PREDICTED: brother of CDO isoform X10 [Gallus gallus]" . . . . . 88.60 1170 98.02 100.00 1.99e-63 . . . . 11128 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'fibronectin type III (fn3) domain' . 11128 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLY . 11128 1 2 . SER . 11128 1 3 . SER . 11128 1 4 . GLY . 11128 1 5 . SER . 11128 1 6 . SER . 11128 1 7 . GLY . 11128 1 8 . PRO . 11128 1 9 . VAL . 11128 1 10 . ALA . 11128 1 11 . GLY . 11128 1 12 . PRO . 11128 1 13 . TYR . 11128 1 14 . ILE . 11128 1 15 . THR . 11128 1 16 . PHE . 11128 1 17 . THR . 11128 1 18 . ASP . 11128 1 19 . ALA . 11128 1 20 . VAL . 11128 1 21 . ASN . 11128 1 22 . GLU . 11128 1 23 . THR . 11128 1 24 . THR . 11128 1 25 . ILE . 11128 1 26 . MET . 11128 1 27 . LEU . 11128 1 28 . LYS . 11128 1 29 . TRP . 11128 1 30 . MET . 11128 1 31 . TYR . 11128 1 32 . ILE . 11128 1 33 . PRO . 11128 1 34 . ALA . 11128 1 35 . SER . 11128 1 36 . ASN . 11128 1 37 . ASN . 11128 1 38 . ASN . 11128 1 39 . THR . 11128 1 40 . PRO . 11128 1 41 . ILE . 11128 1 42 . HIS . 11128 1 43 . GLY . 11128 1 44 . PHE . 11128 1 45 . TYR . 11128 1 46 . ILE . 11128 1 47 . TYR . 11128 1 48 . TYR . 11128 1 49 . ARG . 11128 1 50 . PRO . 11128 1 51 . THR . 11128 1 52 . ASP . 11128 1 53 . SER . 11128 1 54 . ASP . 11128 1 55 . ASN . 11128 1 56 . ASP . 11128 1 57 . SER . 11128 1 58 . ASP . 11128 1 59 . TYR . 11128 1 60 . LYS . 11128 1 61 . LYS . 11128 1 62 . ASP . 11128 1 63 . MET . 11128 1 64 . VAL . 11128 1 65 . GLU . 11128 1 66 . GLY . 11128 1 67 . ASP . 11128 1 68 . ARG . 11128 1 69 . TYR . 11128 1 70 . TRP . 11128 1 71 . HIS . 11128 1 72 . SER . 11128 1 73 . ILE . 11128 1 74 . SER . 11128 1 75 . HIS . 11128 1 76 . LEU . 11128 1 77 . GLN . 11128 1 78 . PRO . 11128 1 79 . GLU . 11128 1 80 . THR . 11128 1 81 . SER . 11128 1 82 . TYR . 11128 1 83 . ASP . 11128 1 84 . ILE . 11128 1 85 . LYS . 11128 1 86 . MET . 11128 1 87 . GLN . 11128 1 88 . CYS . 11128 1 89 . PHE . 11128 1 90 . ASN . 11128 1 91 . GLU . 11128 1 92 . GLY . 11128 1 93 . GLY . 11128 1 94 . GLU . 11128 1 95 . SER . 11128 1 96 . GLU . 11128 1 97 . PHE . 11128 1 98 . SER . 11128 1 99 . ASN . 11128 1 100 . VAL . 11128 1 101 . MET . 11128 1 102 . ILE . 11128 1 103 . CYS . 11128 1 104 . GLU . 11128 1 105 . THR . 11128 1 106 . LYS . 11128 1 107 . ALA . 11128 1 108 . ARG . 11128 1 109 . SER . 11128 1 110 . GLY . 11128 1 111 . PRO . 11128 1 112 . SER . 11128 1 113 . SER . 11128 1 114 . GLY . 11128 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 11128 1 . SER 2 2 11128 1 . SER 3 3 11128 1 . GLY 4 4 11128 1 . SER 5 5 11128 1 . SER 6 6 11128 1 . GLY 7 7 11128 1 . PRO 8 8 11128 1 . VAL 9 9 11128 1 . ALA 10 10 11128 1 . GLY 11 11 11128 1 . PRO 12 12 11128 1 . TYR 13 13 11128 1 . ILE 14 14 11128 1 . THR 15 15 11128 1 . PHE 16 16 11128 1 . THR 17 17 11128 1 . ASP 18 18 11128 1 . ALA 19 19 11128 1 . VAL 20 20 11128 1 . ASN 21 21 11128 1 . GLU 22 22 11128 1 . THR 23 23 11128 1 . THR 24 24 11128 1 . ILE 25 25 11128 1 . MET 26 26 11128 1 . LEU 27 27 11128 1 . LYS 28 28 11128 1 . TRP 29 29 11128 1 . MET 30 30 11128 1 . TYR 31 31 11128 1 . ILE 32 32 11128 1 . PRO 33 33 11128 1 . ALA 34 34 11128 1 . SER 35 35 11128 1 . ASN 36 36 11128 1 . ASN 37 37 11128 1 . ASN 38 38 11128 1 . THR 39 39 11128 1 . PRO 40 40 11128 1 . ILE 41 41 11128 1 . HIS 42 42 11128 1 . GLY 43 43 11128 1 . PHE 44 44 11128 1 . TYR 45 45 11128 1 . ILE 46 46 11128 1 . TYR 47 47 11128 1 . TYR 48 48 11128 1 . ARG 49 49 11128 1 . PRO 50 50 11128 1 . THR 51 51 11128 1 . ASP 52 52 11128 1 . SER 53 53 11128 1 . ASP 54 54 11128 1 . ASN 55 55 11128 1 . ASP 56 56 11128 1 . SER 57 57 11128 1 . ASP 58 58 11128 1 . TYR 59 59 11128 1 . LYS 60 60 11128 1 . LYS 61 61 11128 1 . ASP 62 62 11128 1 . MET 63 63 11128 1 . VAL 64 64 11128 1 . GLU 65 65 11128 1 . GLY 66 66 11128 1 . ASP 67 67 11128 1 . ARG 68 68 11128 1 . TYR 69 69 11128 1 . TRP 70 70 11128 1 . HIS 71 71 11128 1 . SER 72 72 11128 1 . ILE 73 73 11128 1 . SER 74 74 11128 1 . HIS 75 75 11128 1 . LEU 76 76 11128 1 . GLN 77 77 11128 1 . PRO 78 78 11128 1 . GLU 79 79 11128 1 . THR 80 80 11128 1 . SER 81 81 11128 1 . TYR 82 82 11128 1 . ASP 83 83 11128 1 . ILE 84 84 11128 1 . LYS 85 85 11128 1 . MET 86 86 11128 1 . GLN 87 87 11128 1 . CYS 88 88 11128 1 . PHE 89 89 11128 1 . ASN 90 90 11128 1 . GLU 91 91 11128 1 . GLY 92 92 11128 1 . GLY 93 93 11128 1 . GLU 94 94 11128 1 . SER 95 95 11128 1 . GLU 96 96 11128 1 . PHE 97 97 11128 1 . SER 98 98 11128 1 . ASN 99 99 11128 1 . VAL 100 100 11128 1 . MET 101 101 11128 1 . ILE 102 102 11128 1 . CYS 103 103 11128 1 . GLU 104 104 11128 1 . THR 105 105 11128 1 . LYS 106 106 11128 1 . ALA 107 107 11128 1 . ARG 108 108 11128 1 . SER 109 109 11128 1 . GLY 110 110 11128 1 . PRO 111 111 11128 1 . SER 112 112 11128 1 . SER 113 113 11128 1 . GLY 114 114 11128 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 11128 _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.Subvariant _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.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 10090 organism . 'Mus musculus' 'house mouse' . . Eukaryotase Metazoaouse Mus musculususe . . . . . . . . . . . . . . . . . . . . . 11128 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 11128 _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_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _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.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'cell free synthesis' 'E. coli - cell free' . . 562 Escherichia coli . . . . . . . . . . . . . . . . P040719-12 . . . . . . 11128 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11128 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 1.84mM fn3 domain U-15N, {13C;} 20mM {d-Tris-HCl;} 100mM {NaCl;} 1mM {d-DTT;} 0.02% {NaN3;} 10% D2O ; _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 'fn3 domain' '[U-13C; U-15N]' . . 1 $entity_1 . protein 1.84 . . mM . . . . 11128 1 2 d-Tris-HCl 'natural abundance' . . . . . buffer 20 . . mM . . . . 11128 1 3 NaCl 'natural abundance' . . . . . salt 100 . . mM . . . . 11128 1 4 d-DTT 'natural abundance' . . . . . salt 1 . . mM . . . . 11128 1 5 NaN3 'natural abundance' . . . . . salt 0.02 . . % . . . . 11128 1 6 H2O . . . . . . solvent 90 . . % . . . . 11128 1 7 D2O . . . . . . solvent 10 . . % . . . . 11128 1 stop_ save_ ####################### # Sample conditions # ####################### save_condition_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode condition_1 _Sample_condition_list.Entry_ID 11128 _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' 120 0.1 mM 11128 1 pH 7.0 0.05 pH 11128 1 pressure 1 0.001 atm 11128 1 temperature 296 0.1 K 11128 1 stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Software.Sf_category software _Software.Sf_framecode XWINNMR _Software.Entry_ID 11128 _Software.ID 1 _Software.Name xwinnmr _Software.Version 2.6 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Bruker . . 11128 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 11128 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 11128 _Software.ID 2 _Software.Name NMRPipe _Software.Version 20030801 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, F.' . . 11128 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 11128 2 stop_ save_ save_NMRview _Software.Sf_category software _Software.Sf_framecode NMRview _Software.Entry_ID 11128 _Software.ID 3 _Software.Name NMRView _Software.Version 5.0.4 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, B.A.' . . 11128 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11128 3 stop_ save_ save_Kujira _Software.Sf_category software _Software.Sf_framecode Kujira _Software.Entry_ID 11128 _Software.ID 4 _Software.Name Kujira _Software.Version 0.9295 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 11128 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11128 4 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 11128 _Software.ID 5 _Software.Name CYANA _Software.Version 2.0.17 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, P.' . . 11128 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 11128 5 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 11128 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 11128 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker AVANCE . 800 . . . 11128 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 11128 _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 '3D 15N-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11128 1 2 '3D 13C-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11128 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode reference_1 _Chem_shift_reference.Entry_ID 11128 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details ; Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios. ; 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.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 11128 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 11128 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 11128 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chemical_shift_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_1 _Assigned_chem_shift_list.Entry_ID 11128 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $condition_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $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 '3D 15N-separated NOESY' 1 $sample_1 isotropic 11128 1 2 '3D 13C-separated NOESY' 1 $sample_1 isotropic 11128 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $XWINNMR . . 11128 1 2 $NMRPipe . . 11128 1 3 $NMRview . . 11128 1 4 $Kujira . . 11128 1 5 $CYANA . . 11128 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 1 1 GLY HA2 H 1 3.770 0.030 . 1 . . . . 1 GLY HA2 . 11128 1 2 . 1 1 1 1 GLY HA3 H 1 3.770 0.030 . 1 . . . . 1 GLY HA3 . 11128 1 3 . 1 1 1 1 GLY CA C 13 41.373 0.300 . 1 . . . . 1 GLY CA . 11128 1 4 . 1 1 2 2 SER C C 13 172.342 0.300 . 1 . . . . 2 SER C . 11128 1 5 . 1 1 2 2 SER CA C 13 56.019 0.300 . 1 . . . . 2 SER CA . 11128 1 6 . 1 1 2 2 SER CB C 13 61.375 0.300 . 1 . . . . 2 SER CB . 11128 1 7 . 1 1 3 3 SER HA H 1 4.409 0.030 . 1 . . . . 3 SER HA . 11128 1 8 . 1 1 3 3 SER HB2 H 1 3.792 0.030 . 2 . . . . 3 SER HB2 . 11128 1 9 . 1 1 3 3 SER CA C 13 56.264 0.300 . 1 . . . . 3 SER CA . 11128 1 10 . 1 1 3 3 SER CB C 13 61.375 0.300 . 1 . . . . 3 SER CB . 11128 1 11 . 1 1 4 4 GLY H H 1 8.348 0.030 . 1 . . . . 4 GLY H . 11128 1 12 . 1 1 4 4 GLY HA2 H 1 3.921 0.030 . 1 . . . . 4 GLY HA2 . 11128 1 13 . 1 1 4 4 GLY HA3 H 1 3.921 0.030 . 1 . . . . 4 GLY HA3 . 11128 1 14 . 1 1 4 4 GLY CA C 13 42.969 0.300 . 1 . . . . 4 GLY CA . 11128 1 15 . 1 1 4 4 GLY N N 15 110.543 0.300 . 1 . . . . 4 GLY N . 11128 1 16 . 1 1 5 5 SER H H 1 8.165 0.030 . 1 . . . . 5 SER H . 11128 1 17 . 1 1 5 5 SER CA C 13 55.934 0.300 . 1 . . . . 5 SER CA . 11128 1 18 . 1 1 5 5 SER CB C 13 61.622 0.300 . 1 . . . . 5 SER CB . 11128 1 19 . 1 1 5 5 SER N N 15 115.527 0.300 . 1 . . . . 5 SER N . 11128 1 20 . 1 1 6 6 SER H H 1 8.239 0.030 . 1 . . . . 6 SER H . 11128 1 21 . 1 1 6 6 SER HA H 1 4.421 0.030 . 1 . . . . 6 SER HA . 11128 1 22 . 1 1 6 6 SER HB2 H 1 3.762 0.030 . 2 . . . . 6 SER HB2 . 11128 1 23 . 1 1 6 6 SER CA C 13 55.795 0.300 . 1 . . . . 6 SER CA . 11128 1 24 . 1 1 6 6 SER CB C 13 61.520 0.300 . 1 . . . . 6 SER CB . 11128 1 25 . 1 1 6 6 SER N N 15 117.541 0.300 . 1 . . . . 6 SER N . 11128 1 26 . 1 1 7 7 GLY H H 1 8.246 0.030 . 1 . . . . 7 GLY H . 11128 1 27 . 1 1 7 7 GLY HA2 H 1 4.284 0.030 . 2 . . . . 7 GLY HA2 . 11128 1 28 . 1 1 7 7 GLY HA3 H 1 3.377 0.030 . 2 . . . . 7 GLY HA3 . 11128 1 29 . 1 1 7 7 GLY CA C 13 41.582 0.300 . 1 . . . . 7 GLY CA . 11128 1 30 . 1 1 7 7 GLY N N 15 110.669 0.300 . 1 . . . . 7 GLY N . 11128 1 31 . 1 1 8 8 PRO HA H 1 4.165 0.030 . 1 . . . . 8 PRO HA . 11128 1 32 . 1 1 8 8 PRO HB2 H 1 1.935 0.030 . 2 . . . . 8 PRO HB2 . 11128 1 33 . 1 1 8 8 PRO HB3 H 1 1.601 0.030 . 2 . . . . 8 PRO HB3 . 11128 1 34 . 1 1 8 8 PRO HD2 H 1 3.140 0.030 . 2 . . . . 8 PRO HD2 . 11128 1 35 . 1 1 8 8 PRO HD3 H 1 3.288 0.030 . 2 . . . . 8 PRO HD3 . 11128 1 36 . 1 1 8 8 PRO HG2 H 1 1.664 0.030 . 2 . . . . 8 PRO HG2 . 11128 1 37 . 1 1 8 8 PRO HG3 H 1 1.492 0.030 . 2 . . . . 8 PRO HG3 . 11128 1 38 . 1 1 8 8 PRO C C 13 173.449 0.300 . 1 . . . . 8 PRO C . 11128 1 39 . 1 1 8 8 PRO CA C 13 60.151 0.300 . 1 . . . . 8 PRO CA . 11128 1 40 . 1 1 8 8 PRO CB C 13 30.264 0.300 . 1 . . . . 8 PRO CB . 11128 1 41 . 1 1 8 8 PRO CD C 13 46.715 0.300 . 1 . . . . 8 PRO CD . 11128 1 42 . 1 1 8 8 PRO CG C 13 24.880 0.300 . 1 . . . . 8 PRO CG . 11128 1 43 . 1 1 9 9 VAL H H 1 7.908 0.030 . 1 . . . . 9 VAL H . 11128 1 44 . 1 1 9 9 VAL HA H 1 3.990 0.030 . 1 . . . . 9 VAL HA . 11128 1 45 . 1 1 9 9 VAL HB H 1 1.947 0.030 . 1 . . . . 9 VAL HB . 11128 1 46 . 1 1 9 9 VAL HG11 H 1 0.810 0.030 . 1 . . . . 9 VAL HG1 . 11128 1 47 . 1 1 9 9 VAL HG12 H 1 0.810 0.030 . 1 . . . . 9 VAL HG1 . 11128 1 48 . 1 1 9 9 VAL HG13 H 1 0.810 0.030 . 1 . . . . 9 VAL HG1 . 11128 1 49 . 1 1 9 9 VAL HG21 H 1 0.857 0.030 . 1 . . . . 9 VAL HG2 . 11128 1 50 . 1 1 9 9 VAL HG22 H 1 0.857 0.030 . 1 . . . . 9 VAL HG2 . 11128 1 51 . 1 1 9 9 VAL HG23 H 1 0.857 0.030 . 1 . . . . 9 VAL HG2 . 11128 1 52 . 1 1 9 9 VAL C C 13 173.050 0.300 . 1 . . . . 9 VAL C . 11128 1 53 . 1 1 9 9 VAL CA C 13 61.210 0.300 . 1 . . . . 9 VAL CA . 11128 1 54 . 1 1 9 9 VAL CB C 13 30.749 0.300 . 1 . . . . 9 VAL CB . 11128 1 55 . 1 1 9 9 VAL CG1 C 13 18.490 0.300 . 2 . . . . 9 VAL CG1 . 11128 1 56 . 1 1 9 9 VAL CG2 C 13 18.744 0.300 . 2 . . . . 9 VAL CG2 . 11128 1 57 . 1 1 9 9 VAL N N 15 119.785 0.300 . 1 . . . . 9 VAL N . 11128 1 58 . 1 1 10 10 ALA H H 1 8.153 0.030 . 1 . . . . 10 ALA H . 11128 1 59 . 1 1 10 10 ALA HA H 1 4.271 0.030 . 1 . . . . 10 ALA HA . 11128 1 60 . 1 1 10 10 ALA HB1 H 1 1.381 0.030 . 1 . . . . 10 ALA HB . 11128 1 61 . 1 1 10 10 ALA HB2 H 1 1.381 0.030 . 1 . . . . 10 ALA HB . 11128 1 62 . 1 1 10 10 ALA HB3 H 1 1.381 0.030 . 1 . . . . 10 ALA HB . 11128 1 63 . 1 1 10 10 ALA C C 13 175.711 0.300 . 1 . . . . 10 ALA C . 11128 1 64 . 1 1 10 10 ALA CA C 13 50.413 0.300 . 1 . . . . 10 ALA CA . 11128 1 65 . 1 1 10 10 ALA CB C 13 17.026 0.300 . 1 . . . . 10 ALA CB . 11128 1 66 . 1 1 10 10 ALA N N 15 123.732 0.300 . 1 . . . . 10 ALA N . 11128 1 67 . 1 1 11 11 GLY H H 1 8.540 0.030 . 1 . . . . 11 GLY H . 11128 1 68 . 1 1 11 11 GLY HA2 H 1 3.707 0.030 . 1 . . . . 11 GLY HA2 . 11128 1 69 . 1 1 11 11 GLY HA3 H 1 3.707 0.030 . 1 . . . . 11 GLY HA3 . 11128 1 70 . 1 1 11 11 GLY C C 13 169.897 0.300 . 1 . . . . 11 GLY C . 11128 1 71 . 1 1 11 11 GLY CA C 13 42.076 0.300 . 1 . . . . 11 GLY CA . 11128 1 72 . 1 1 11 11 GLY N N 15 106.846 0.300 . 1 . . . . 11 GLY N . 11128 1 73 . 1 1 12 12 PRO HA H 1 5.177 0.030 . 1 . . . . 12 PRO HA . 11128 1 74 . 1 1 12 12 PRO HB2 H 1 2.246 0.030 . 2 . . . . 12 PRO HB2 . 11128 1 75 . 1 1 12 12 PRO HB3 H 1 1.824 0.030 . 2 . . . . 12 PRO HB3 . 11128 1 76 . 1 1 12 12 PRO HD2 H 1 3.363 0.030 . 2 . . . . 12 PRO HD2 . 11128 1 77 . 1 1 12 12 PRO HD3 H 1 3.861 0.030 . 2 . . . . 12 PRO HD3 . 11128 1 78 . 1 1 12 12 PRO HG2 H 1 1.650 0.030 . 1 . . . . 12 PRO HG2 . 11128 1 79 . 1 1 12 12 PRO HG3 H 1 1.650 0.030 . 1 . . . . 12 PRO HG3 . 11128 1 80 . 1 1 12 12 PRO C C 13 171.234 0.300 . 1 . . . . 12 PRO C . 11128 1 81 . 1 1 12 12 PRO CA C 13 59.951 0.300 . 1 . . . . 12 PRO CA . 11128 1 82 . 1 1 12 12 PRO CB C 13 30.781 0.300 . 1 . . . . 12 PRO CB . 11128 1 83 . 1 1 12 12 PRO CD C 13 46.495 0.300 . 1 . . . . 12 PRO CD . 11128 1 84 . 1 1 12 12 PRO CG C 13 26.079 0.300 . 1 . . . . 12 PRO CG . 11128 1 85 . 1 1 13 13 TYR H H 1 8.640 0.030 . 1 . . . . 13 TYR H . 11128 1 86 . 1 1 13 13 TYR HA H 1 4.936 0.030 . 1 . . . . 13 TYR HA . 11128 1 87 . 1 1 13 13 TYR HB2 H 1 2.835 0.030 . 1 . . . . 13 TYR HB2 . 11128 1 88 . 1 1 13 13 TYR HB3 H 1 2.835 0.030 . 1 . . . . 13 TYR HB3 . 11128 1 89 . 1 1 13 13 TYR HD1 H 1 6.959 0.030 . 1 . . . . 13 TYR HD1 . 11128 1 90 . 1 1 13 13 TYR HD2 H 1 6.959 0.030 . 1 . . . . 13 TYR HD2 . 11128 1 91 . 1 1 13 13 TYR HE1 H 1 6.724 0.030 . 1 . . . . 13 TYR HE1 . 11128 1 92 . 1 1 13 13 TYR HE2 H 1 6.724 0.030 . 1 . . . . 13 TYR HE2 . 11128 1 93 . 1 1 13 13 TYR C C 13 172.918 0.300 . 1 . . . . 13 TYR C . 11128 1 94 . 1 1 13 13 TYR CA C 13 54.674 0.300 . 1 . . . . 13 TYR CA . 11128 1 95 . 1 1 13 13 TYR CB C 13 39.597 0.300 . 1 . . . . 13 TYR CB . 11128 1 96 . 1 1 13 13 TYR CD1 C 13 130.901 0.300 . 1 . . . . 13 TYR CD1 . 11128 1 97 . 1 1 13 13 TYR CD2 C 13 130.901 0.300 . 1 . . . . 13 TYR CD2 . 11128 1 98 . 1 1 13 13 TYR CE1 C 13 115.814 0.300 . 1 . . . . 13 TYR CE1 . 11128 1 99 . 1 1 13 13 TYR CE2 C 13 115.814 0.300 . 1 . . . . 13 TYR CE2 . 11128 1 100 . 1 1 13 13 TYR N N 15 119.134 0.300 . 1 . . . . 13 TYR N . 11128 1 101 . 1 1 14 14 ILE H H 1 9.684 0.030 . 1 . . . . 14 ILE H . 11128 1 102 . 1 1 14 14 ILE HA H 1 4.274 0.030 . 1 . . . . 14 ILE HA . 11128 1 103 . 1 1 14 14 ILE HB H 1 1.543 0.030 . 1 . . . . 14 ILE HB . 11128 1 104 . 1 1 14 14 ILE HD11 H 1 0.658 0.030 . 1 . . . . 14 ILE HD1 . 11128 1 105 . 1 1 14 14 ILE HD12 H 1 0.658 0.030 . 1 . . . . 14 ILE HD1 . 11128 1 106 . 1 1 14 14 ILE HD13 H 1 0.658 0.030 . 1 . . . . 14 ILE HD1 . 11128 1 107 . 1 1 14 14 ILE HG12 H 1 0.842 0.030 . 2 . . . . 14 ILE HG12 . 11128 1 108 . 1 1 14 14 ILE HG13 H 1 1.596 0.030 . 2 . . . . 14 ILE HG13 . 11128 1 109 . 1 1 14 14 ILE HG21 H 1 1.009 0.030 . 1 . . . . 14 ILE HG2 . 11128 1 110 . 1 1 14 14 ILE HG22 H 1 1.009 0.030 . 1 . . . . 14 ILE HG2 . 11128 1 111 . 1 1 14 14 ILE HG23 H 1 1.009 0.030 . 1 . . . . 14 ILE HG2 . 11128 1 112 . 1 1 14 14 ILE C C 13 173.913 0.300 . 1 . . . . 14 ILE C . 11128 1 113 . 1 1 14 14 ILE CA C 13 61.040 0.300 . 1 . . . . 14 ILE CA . 11128 1 114 . 1 1 14 14 ILE CB C 13 35.928 0.300 . 1 . . . . 14 ILE CB . 11128 1 115 . 1 1 14 14 ILE CD1 C 13 12.128 0.300 . 1 . . . . 14 ILE CD1 . 11128 1 116 . 1 1 14 14 ILE CG1 C 13 25.432 0.300 . 1 . . . . 14 ILE CG1 . 11128 1 117 . 1 1 14 14 ILE CG2 C 13 17.183 0.300 . 1 . . . . 14 ILE CG2 . 11128 1 118 . 1 1 14 14 ILE N N 15 128.498 0.300 . 1 . . . . 14 ILE N . 11128 1 119 . 1 1 15 15 THR H H 1 8.716 0.030 . 1 . . . . 15 THR H . 11128 1 120 . 1 1 15 15 THR HA H 1 4.223 0.030 . 1 . . . . 15 THR HA . 11128 1 121 . 1 1 15 15 THR HB H 1 4.222 0.030 . 1 . . . . 15 THR HB . 11128 1 122 . 1 1 15 15 THR HG21 H 1 1.265 0.030 . 1 . . . . 15 THR HG2 . 11128 1 123 . 1 1 15 15 THR HG22 H 1 1.265 0.030 . 1 . . . . 15 THR HG2 . 11128 1 124 . 1 1 15 15 THR HG23 H 1 1.265 0.030 . 1 . . . . 15 THR HG2 . 11128 1 125 . 1 1 15 15 THR C C 13 173.439 0.300 . 1 . . . . 15 THR C . 11128 1 126 . 1 1 15 15 THR CA C 13 59.717 0.300 . 1 . . . . 15 THR CA . 11128 1 127 . 1 1 15 15 THR CB C 13 66.969 0.300 . 1 . . . . 15 THR CB . 11128 1 128 . 1 1 15 15 THR CG2 C 13 21.158 0.300 . 1 . . . . 15 THR CG2 . 11128 1 129 . 1 1 15 15 THR N N 15 117.405 0.300 . 1 . . . . 15 THR N . 11128 1 130 . 1 1 16 16 PHE H H 1 7.513 0.030 . 1 . . . . 16 PHE H . 11128 1 131 . 1 1 16 16 PHE HA H 1 4.768 0.030 . 1 . . . . 16 PHE HA . 11128 1 132 . 1 1 16 16 PHE HB2 H 1 3.146 0.030 . 2 . . . . 16 PHE HB2 . 11128 1 133 . 1 1 16 16 PHE HB3 H 1 2.519 0.030 . 2 . . . . 16 PHE HB3 . 11128 1 134 . 1 1 16 16 PHE HD1 H 1 7.031 0.030 . 1 . . . . 16 PHE HD1 . 11128 1 135 . 1 1 16 16 PHE HD2 H 1 7.031 0.030 . 1 . . . . 16 PHE HD2 . 11128 1 136 . 1 1 16 16 PHE HE1 H 1 7.164 0.030 . 1 . . . . 16 PHE HE1 . 11128 1 137 . 1 1 16 16 PHE HE2 H 1 7.164 0.030 . 1 . . . . 16 PHE HE2 . 11128 1 138 . 1 1 16 16 PHE HZ H 1 7.186 0.030 . 1 . . . . 16 PHE HZ . 11128 1 139 . 1 1 16 16 PHE C C 13 171.911 0.300 . 1 . . . . 16 PHE C . 11128 1 140 . 1 1 16 16 PHE CA C 13 55.837 0.300 . 1 . . . . 16 PHE CA . 11128 1 141 . 1 1 16 16 PHE CB C 13 41.079 0.300 . 1 . . . . 16 PHE CB . 11128 1 142 . 1 1 16 16 PHE CD1 C 13 129.206 0.300 . 1 . . . . 16 PHE CD1 . 11128 1 143 . 1 1 16 16 PHE CD2 C 13 129.206 0.300 . 1 . . . . 16 PHE CD2 . 11128 1 144 . 1 1 16 16 PHE CE1 C 13 129.214 0.300 . 1 . . . . 16 PHE CE1 . 11128 1 145 . 1 1 16 16 PHE CE2 C 13 129.214 0.300 . 1 . . . . 16 PHE CE2 . 11128 1 146 . 1 1 16 16 PHE CZ C 13 128.250 0.300 . 1 . . . . 16 PHE CZ . 11128 1 147 . 1 1 16 16 PHE N N 15 122.288 0.300 . 1 . . . . 16 PHE N . 11128 1 148 . 1 1 17 17 THR H H 1 7.812 0.030 . 1 . . . . 17 THR H . 11128 1 149 . 1 1 17 17 THR HA H 1 5.040 0.030 . 1 . . . . 17 THR HA . 11128 1 150 . 1 1 17 17 THR HB H 1 3.745 0.030 . 1 . . . . 17 THR HB . 11128 1 151 . 1 1 17 17 THR HG21 H 1 0.965 0.030 . 1 . . . . 17 THR HG2 . 11128 1 152 . 1 1 17 17 THR HG22 H 1 0.965 0.030 . 1 . . . . 17 THR HG2 . 11128 1 153 . 1 1 17 17 THR HG23 H 1 0.965 0.030 . 1 . . . . 17 THR HG2 . 11128 1 154 . 1 1 17 17 THR C C 13 170.050 0.300 . 1 . . . . 17 THR C . 11128 1 155 . 1 1 17 17 THR CA C 13 57.531 0.300 . 1 . . . . 17 THR CA . 11128 1 156 . 1 1 17 17 THR CB C 13 69.779 0.300 . 1 . . . . 17 THR CB . 11128 1 157 . 1 1 17 17 THR CG2 C 13 20.714 0.300 . 1 . . . . 17 THR CG2 . 11128 1 158 . 1 1 17 17 THR N N 15 117.664 0.300 . 1 . . . . 17 THR N . 11128 1 159 . 1 1 18 18 ASP H H 1 8.599 0.030 . 1 . . . . 18 ASP H . 11128 1 160 . 1 1 18 18 ASP HA H 1 4.558 0.030 . 1 . . . . 18 ASP HA . 11128 1 161 . 1 1 18 18 ASP HB2 H 1 2.277 0.030 . 2 . . . . 18 ASP HB2 . 11128 1 162 . 1 1 18 18 ASP HB3 H 1 2.216 0.030 . 2 . . . . 18 ASP HB3 . 11128 1 163 . 1 1 18 18 ASP C C 13 172.136 0.300 . 1 . . . . 18 ASP C . 11128 1 164 . 1 1 18 18 ASP CA C 13 51.367 0.300 . 1 . . . . 18 ASP CA . 11128 1 165 . 1 1 18 18 ASP CB C 13 43.183 0.300 . 1 . . . . 18 ASP CB . 11128 1 166 . 1 1 18 18 ASP N N 15 119.598 0.300 . 1 . . . . 18 ASP N . 11128 1 167 . 1 1 19 19 ALA H H 1 8.388 0.030 . 1 . . . . 19 ALA H . 11128 1 168 . 1 1 19 19 ALA HA H 1 4.534 0.030 . 1 . . . . 19 ALA HA . 11128 1 169 . 1 1 19 19 ALA HB1 H 1 1.436 0.030 . 1 . . . . 19 ALA HB . 11128 1 170 . 1 1 19 19 ALA HB2 H 1 1.436 0.030 . 1 . . . . 19 ALA HB . 11128 1 171 . 1 1 19 19 ALA HB3 H 1 1.436 0.030 . 1 . . . . 19 ALA HB . 11128 1 172 . 1 1 19 19 ALA C C 13 174.245 0.300 . 1 . . . . 19 ALA C . 11128 1 173 . 1 1 19 19 ALA CA C 13 49.681 0.300 . 1 . . . . 19 ALA CA . 11128 1 174 . 1 1 19 19 ALA CB C 13 16.940 0.300 . 1 . . . . 19 ALA CB . 11128 1 175 . 1 1 19 19 ALA N N 15 126.827 0.300 . 1 . . . . 19 ALA N . 11128 1 176 . 1 1 20 20 VAL H H 1 8.147 0.030 . 1 . . . . 20 VAL H . 11128 1 177 . 1 1 20 20 VAL HA H 1 3.746 0.030 . 1 . . . . 20 VAL HA . 11128 1 178 . 1 1 20 20 VAL HB H 1 1.471 0.030 . 1 . . . . 20 VAL HB . 11128 1 179 . 1 1 20 20 VAL HG11 H 1 0.796 0.030 . 1 . . . . 20 VAL HG1 . 11128 1 180 . 1 1 20 20 VAL HG12 H 1 0.796 0.030 . 1 . . . . 20 VAL HG1 . 11128 1 181 . 1 1 20 20 VAL HG13 H 1 0.796 0.030 . 1 . . . . 20 VAL HG1 . 11128 1 182 . 1 1 20 20 VAL HG21 H 1 0.794 0.030 . 1 . . . . 20 VAL HG2 . 11128 1 183 . 1 1 20 20 VAL HG22 H 1 0.794 0.030 . 1 . . . . 20 VAL HG2 . 11128 1 184 . 1 1 20 20 VAL HG23 H 1 0.794 0.030 . 1 . . . . 20 VAL HG2 . 11128 1 185 . 1 1 20 20 VAL C C 13 174.207 0.300 . 1 . . . . 20 VAL C . 11128 1 186 . 1 1 20 20 VAL CA C 13 61.445 0.300 . 1 . . . . 20 VAL CA . 11128 1 187 . 1 1 20 20 VAL CB C 13 31.006 0.300 . 1 . . . . 20 VAL CB . 11128 1 188 . 1 1 20 20 VAL CG1 C 13 18.498 0.300 . 2 . . . . 20 VAL CG1 . 11128 1 189 . 1 1 20 20 VAL CG2 C 13 19.466 0.300 . 2 . . . . 20 VAL CG2 . 11128 1 190 . 1 1 20 20 VAL N N 15 123.482 0.300 . 1 . . . . 20 VAL N . 11128 1 191 . 1 1 21 21 ASN H H 1 7.739 0.030 . 1 . . . . 21 ASN H . 11128 1 192 . 1 1 21 21 ASN HA H 1 4.341 0.030 . 1 . . . . 21 ASN HA . 11128 1 193 . 1 1 21 21 ASN HB2 H 1 3.219 0.030 . 2 . . . . 21 ASN HB2 . 11128 1 194 . 1 1 21 21 ASN HB3 H 1 3.159 0.030 . 2 . . . . 21 ASN HB3 . 11128 1 195 . 1 1 21 21 ASN HD21 H 1 6.494 0.030 . 2 . . . . 21 ASN HD21 . 11128 1 196 . 1 1 21 21 ASN HD22 H 1 7.714 0.030 . 2 . . . . 21 ASN HD22 . 11128 1 197 . 1 1 21 21 ASN C C 13 172.171 0.300 . 1 . . . . 21 ASN C . 11128 1 198 . 1 1 21 21 ASN CA C 13 50.664 0.300 . 1 . . . . 21 ASN CA . 11128 1 199 . 1 1 21 21 ASN CB C 13 34.668 0.300 . 1 . . . . 21 ASN CB . 11128 1 200 . 1 1 21 21 ASN N N 15 112.916 0.300 . 1 . . . . 21 ASN N . 11128 1 201 . 1 1 21 21 ASN ND2 N 15 113.568 0.300 . 1 . . . . 21 ASN ND2 . 11128 1 202 . 1 1 22 22 GLU H H 1 9.700 0.030 . 1 . . . . 22 GLU H . 11128 1 203 . 1 1 22 22 GLU HA H 1 4.381 0.030 . 1 . . . . 22 GLU HA . 11128 1 204 . 1 1 22 22 GLU HB2 H 1 1.931 0.030 . 2 . . . . 22 GLU HB2 . 11128 1 205 . 1 1 22 22 GLU HB3 H 1 1.773 0.030 . 2 . . . . 22 GLU HB3 . 11128 1 206 . 1 1 22 22 GLU HG2 H 1 2.151 0.030 . 2 . . . . 22 GLU HG2 . 11128 1 207 . 1 1 22 22 GLU HG3 H 1 2.251 0.030 . 2 . . . . 22 GLU HG3 . 11128 1 208 . 1 1 22 22 GLU C C 13 171.963 0.300 . 1 . . . . 22 GLU C . 11128 1 209 . 1 1 22 22 GLU CA C 13 56.050 0.300 . 1 . . . . 22 GLU CA . 11128 1 210 . 1 1 22 22 GLU CB C 13 27.059 0.300 . 1 . . . . 22 GLU CB . 11128 1 211 . 1 1 22 22 GLU CG C 13 34.231 0.300 . 1 . . . . 22 GLU CG . 11128 1 212 . 1 1 22 22 GLU N N 15 117.542 0.300 . 1 . . . . 22 GLU N . 11128 1 213 . 1 1 23 23 THR H H 1 8.053 0.030 . 1 . . . . 23 THR H . 11128 1 214 . 1 1 23 23 THR HA H 1 4.450 0.030 . 1 . . . . 23 THR HA . 11128 1 215 . 1 1 23 23 THR HB H 1 4.350 0.030 . 1 . . . . 23 THR HB . 11128 1 216 . 1 1 23 23 THR HG21 H 1 0.999 0.030 . 1 . . . . 23 THR HG2 . 11128 1 217 . 1 1 23 23 THR HG22 H 1 0.999 0.030 . 1 . . . . 23 THR HG2 . 11128 1 218 . 1 1 23 23 THR HG23 H 1 0.999 0.030 . 1 . . . . 23 THR HG2 . 11128 1 219 . 1 1 23 23 THR C C 13 172.213 0.300 . 1 . . . . 23 THR C . 11128 1 220 . 1 1 23 23 THR CA C 13 57.906 0.300 . 1 . . . . 23 THR CA . 11128 1 221 . 1 1 23 23 THR CB C 13 69.287 0.300 . 1 . . . . 23 THR CB . 11128 1 222 . 1 1 23 23 THR CG2 C 13 18.740 0.300 . 1 . . . . 23 THR CG2 . 11128 1 223 . 1 1 23 23 THR N N 15 102.135 0.300 . 1 . . . . 23 THR N . 11128 1 224 . 1 1 24 24 THR H H 1 6.778 0.030 . 1 . . . . 24 THR H . 11128 1 225 . 1 1 24 24 THR HA H 1 5.506 0.030 . 1 . . . . 24 THR HA . 11128 1 226 . 1 1 24 24 THR HB H 1 3.384 0.030 . 1 . . . . 24 THR HB . 11128 1 227 . 1 1 24 24 THR HG21 H 1 0.793 0.030 . 1 . . . . 24 THR HG2 . 11128 1 228 . 1 1 24 24 THR HG22 H 1 0.793 0.030 . 1 . . . . 24 THR HG2 . 11128 1 229 . 1 1 24 24 THR HG23 H 1 0.793 0.030 . 1 . . . . 24 THR HG2 . 11128 1 230 . 1 1 24 24 THR C C 13 171.379 0.300 . 1 . . . . 24 THR C . 11128 1 231 . 1 1 24 24 THR CA C 13 59.088 0.300 . 1 . . . . 24 THR CA . 11128 1 232 . 1 1 24 24 THR CB C 13 69.285 0.300 . 1 . . . . 24 THR CB . 11128 1 233 . 1 1 24 24 THR CG2 C 13 17.521 0.300 . 1 . . . . 24 THR CG2 . 11128 1 234 . 1 1 24 24 THR N N 15 114.983 0.300 . 1 . . . . 24 THR N . 11128 1 235 . 1 1 25 25 ILE H H 1 8.490 0.030 . 1 . . . . 25 ILE H . 11128 1 236 . 1 1 25 25 ILE HA H 1 4.394 0.030 . 1 . . . . 25 ILE HA . 11128 1 237 . 1 1 25 25 ILE HB H 1 1.035 0.030 . 1 . . . . 25 ILE HB . 11128 1 238 . 1 1 25 25 ILE HD11 H 1 0.461 0.030 . 1 . . . . 25 ILE HD1 . 11128 1 239 . 1 1 25 25 ILE HD12 H 1 0.461 0.030 . 1 . . . . 25 ILE HD1 . 11128 1 240 . 1 1 25 25 ILE HD13 H 1 0.461 0.030 . 1 . . . . 25 ILE HD1 . 11128 1 241 . 1 1 25 25 ILE HG12 H 1 1.197 0.030 . 2 . . . . 25 ILE HG12 . 11128 1 242 . 1 1 25 25 ILE HG13 H 1 0.653 0.030 . 2 . . . . 25 ILE HG13 . 11128 1 243 . 1 1 25 25 ILE HG21 H 1 0.550 0.030 . 1 . . . . 25 ILE HG2 . 11128 1 244 . 1 1 25 25 ILE HG22 H 1 0.550 0.030 . 1 . . . . 25 ILE HG2 . 11128 1 245 . 1 1 25 25 ILE HG23 H 1 0.550 0.030 . 1 . . . . 25 ILE HG2 . 11128 1 246 . 1 1 25 25 ILE C C 13 170.738 0.300 . 1 . . . . 25 ILE C . 11128 1 247 . 1 1 25 25 ILE CA C 13 58.008 0.300 . 1 . . . . 25 ILE CA . 11128 1 248 . 1 1 25 25 ILE CB C 13 40.732 0.300 . 1 . . . . 25 ILE CB . 11128 1 249 . 1 1 25 25 ILE CD1 C 13 12.258 0.300 . 1 . . . . 25 ILE CD1 . 11128 1 250 . 1 1 25 25 ILE CG1 C 13 26.176 0.300 . 1 . . . . 25 ILE CG1 . 11128 1 251 . 1 1 25 25 ILE CG2 C 13 14.564 0.300 . 1 . . . . 25 ILE CG2 . 11128 1 252 . 1 1 25 25 ILE N N 15 126.641 0.300 . 1 . . . . 25 ILE N . 11128 1 253 . 1 1 26 26 MET H H 1 9.059 0.030 . 1 . . . . 26 MET H . 11128 1 254 . 1 1 26 26 MET HA H 1 5.284 0.030 . 1 . . . . 26 MET HA . 11128 1 255 . 1 1 26 26 MET HB2 H 1 1.913 0.030 . 1 . . . . 26 MET HB2 . 11128 1 256 . 1 1 26 26 MET HB3 H 1 1.913 0.030 . 1 . . . . 26 MET HB3 . 11128 1 257 . 1 1 26 26 MET HE1 H 1 1.782 0.030 . 1 . . . . 26 MET HE . 11128 1 258 . 1 1 26 26 MET HE2 H 1 1.782 0.030 . 1 . . . . 26 MET HE . 11128 1 259 . 1 1 26 26 MET HE3 H 1 1.782 0.030 . 1 . . . . 26 MET HE . 11128 1 260 . 1 1 26 26 MET HG2 H 1 2.471 0.030 . 1 . . . . 26 MET HG2 . 11128 1 261 . 1 1 26 26 MET HG3 H 1 2.471 0.030 . 1 . . . . 26 MET HG3 . 11128 1 262 . 1 1 26 26 MET C C 13 171.328 0.300 . 1 . . . . 26 MET C . 11128 1 263 . 1 1 26 26 MET CA C 13 51.611 0.300 . 1 . . . . 26 MET CA . 11128 1 264 . 1 1 26 26 MET CB C 13 32.541 0.300 . 1 . . . . 26 MET CB . 11128 1 265 . 1 1 26 26 MET CE C 13 14.582 0.300 . 1 . . . . 26 MET CE . 11128 1 266 . 1 1 26 26 MET CG C 13 29.695 0.300 . 1 . . . . 26 MET CG . 11128 1 267 . 1 1 26 26 MET N N 15 126.522 0.300 . 1 . . . . 26 MET N . 11128 1 268 . 1 1 27 27 LEU H H 1 9.175 0.030 . 1 . . . . 27 LEU H . 11128 1 269 . 1 1 27 27 LEU HA H 1 5.583 0.030 . 1 . . . . 27 LEU HA . 11128 1 270 . 1 1 27 27 LEU HB2 H 1 1.669 0.030 . 2 . . . . 27 LEU HB2 . 11128 1 271 . 1 1 27 27 LEU HB3 H 1 2.034 0.030 . 2 . . . . 27 LEU HB3 . 11128 1 272 . 1 1 27 27 LEU HD11 H 1 0.894 0.030 . 1 . . . . 27 LEU HD1 . 11128 1 273 . 1 1 27 27 LEU HD12 H 1 0.894 0.030 . 1 . . . . 27 LEU HD1 . 11128 1 274 . 1 1 27 27 LEU HD13 H 1 0.894 0.030 . 1 . . . . 27 LEU HD1 . 11128 1 275 . 1 1 27 27 LEU HD21 H 1 0.997 0.030 . 1 . . . . 27 LEU HD2 . 11128 1 276 . 1 1 27 27 LEU HD22 H 1 0.997 0.030 . 1 . . . . 27 LEU HD2 . 11128 1 277 . 1 1 27 27 LEU HD23 H 1 0.997 0.030 . 1 . . . . 27 LEU HD2 . 11128 1 278 . 1 1 27 27 LEU HG H 1 2.064 0.030 . 1 . . . . 27 LEU HG . 11128 1 279 . 1 1 27 27 LEU C C 13 172.374 0.300 . 1 . . . . 27 LEU C . 11128 1 280 . 1 1 27 27 LEU CA C 13 52.169 0.300 . 1 . . . . 27 LEU CA . 11128 1 281 . 1 1 27 27 LEU CB C 13 44.322 0.300 . 1 . . . . 27 LEU CB . 11128 1 282 . 1 1 27 27 LEU CD1 C 13 26.424 0.300 . 2 . . . . 27 LEU CD1 . 11128 1 283 . 1 1 27 27 LEU CD2 C 13 25.043 0.300 . 2 . . . . 27 LEU CD2 . 11128 1 284 . 1 1 27 27 LEU CG C 13 24.898 0.300 . 1 . . . . 27 LEU CG . 11128 1 285 . 1 1 27 27 LEU N N 15 122.690 0.300 . 1 . . . . 27 LEU N . 11128 1 286 . 1 1 28 28 LYS H H 1 8.517 0.030 . 1 . . . . 28 LYS H . 11128 1 287 . 1 1 28 28 LYS HA H 1 5.079 0.030 . 1 . . . . 28 LYS HA . 11128 1 288 . 1 1 28 28 LYS HB2 H 1 1.931 0.030 . 2 . . . . 28 LYS HB2 . 11128 1 289 . 1 1 28 28 LYS HB3 H 1 1.586 0.030 . 2 . . . . 28 LYS HB3 . 11128 1 290 . 1 1 28 28 LYS HD2 H 1 1.352 0.030 . 2 . . . . 28 LYS HD2 . 11128 1 291 . 1 1 28 28 LYS HD3 H 1 1.126 0.030 . 2 . . . . 28 LYS HD3 . 11128 1 292 . 1 1 28 28 LYS HE2 H 1 2.197 0.030 . 2 . . . . 28 LYS HE2 . 11128 1 293 . 1 1 28 28 LYS HE3 H 1 2.396 0.030 . 2 . . . . 28 LYS HE3 . 11128 1 294 . 1 1 28 28 LYS HG2 H 1 1.376 0.030 . 2 . . . . 28 LYS HG2 . 11128 1 295 . 1 1 28 28 LYS HG3 H 1 1.211 0.030 . 2 . . . . 28 LYS HG3 . 11128 1 296 . 1 1 28 28 LYS C C 13 172.772 0.300 . 1 . . . . 28 LYS C . 11128 1 297 . 1 1 28 28 LYS CA C 13 52.855 0.300 . 1 . . . . 28 LYS CA . 11128 1 298 . 1 1 28 28 LYS CB C 13 34.682 0.300 . 1 . . . . 28 LYS CB . 11128 1 299 . 1 1 28 28 LYS CD C 13 27.165 0.300 . 1 . . . . 28 LYS CD . 11128 1 300 . 1 1 28 28 LYS CE C 13 39.583 0.300 . 1 . . . . 28 LYS CE . 11128 1 301 . 1 1 28 28 LYS CG C 13 23.259 0.300 . 1 . . . . 28 LYS CG . 11128 1 302 . 1 1 28 28 LYS N N 15 116.799 0.300 . 1 . . . . 28 LYS N . 11128 1 303 . 1 1 29 29 TRP H H 1 7.652 0.030 . 1 . . . . 29 TRP H . 11128 1 304 . 1 1 29 29 TRP HA H 1 5.604 0.030 . 1 . . . . 29 TRP HA . 11128 1 305 . 1 1 29 29 TRP HB2 H 1 3.168 0.030 . 2 . . . . 29 TRP HB2 . 11128 1 306 . 1 1 29 29 TRP HB3 H 1 2.933 0.030 . 2 . . . . 29 TRP HB3 . 11128 1 307 . 1 1 29 29 TRP HD1 H 1 6.125 0.030 . 1 . . . . 29 TRP HD1 . 11128 1 308 . 1 1 29 29 TRP HE1 H 1 6.263 0.030 . 1 . . . . 29 TRP HE1 . 11128 1 309 . 1 1 29 29 TRP HE3 H 1 6.842 0.030 . 1 . . . . 29 TRP HE3 . 11128 1 310 . 1 1 29 29 TRP HH2 H 1 6.405 0.030 . 1 . . . . 29 TRP HH2 . 11128 1 311 . 1 1 29 29 TRP HZ2 H 1 6.551 0.030 . 1 . . . . 29 TRP HZ2 . 11128 1 312 . 1 1 29 29 TRP HZ3 H 1 6.587 0.030 . 1 . . . . 29 TRP HZ3 . 11128 1 313 . 1 1 29 29 TRP C C 13 171.036 0.300 . 1 . . . . 29 TRP C . 11128 1 314 . 1 1 29 29 TRP CA C 13 53.968 0.300 . 1 . . . . 29 TRP CA . 11128 1 315 . 1 1 29 29 TRP CB C 13 30.710 0.300 . 1 . . . . 29 TRP CB . 11128 1 316 . 1 1 29 29 TRP CD1 C 13 121.242 0.300 . 1 . . . . 29 TRP CD1 . 11128 1 317 . 1 1 29 29 TRP CE3 C 13 118.509 0.300 . 1 . . . . 29 TRP CE3 . 11128 1 318 . 1 1 29 29 TRP CH2 C 13 121.556 0.300 . 1 . . . . 29 TRP CH2 . 11128 1 319 . 1 1 29 29 TRP CZ2 C 13 112.265 0.300 . 1 . . . . 29 TRP CZ2 . 11128 1 320 . 1 1 29 29 TRP CZ3 C 13 118.390 0.300 . 1 . . . . 29 TRP CZ3 . 11128 1 321 . 1 1 29 29 TRP N N 15 115.940 0.300 . 1 . . . . 29 TRP N . 11128 1 322 . 1 1 29 29 TRP NE1 N 15 125.061 0.300 . 1 . . . . 29 TRP NE1 . 11128 1 323 . 1 1 30 30 MET H H 1 9.268 0.030 . 1 . . . . 30 MET H . 11128 1 324 . 1 1 30 30 MET HA H 1 4.903 0.030 . 1 . . . . 30 MET HA . 11128 1 325 . 1 1 30 30 MET HB2 H 1 2.011 0.030 . 1 . . . . 30 MET HB2 . 11128 1 326 . 1 1 30 30 MET HB3 H 1 2.011 0.030 . 1 . . . . 30 MET HB3 . 11128 1 327 . 1 1 30 30 MET HE1 H 1 1.952 0.030 . 1 . . . . 30 MET HE . 11128 1 328 . 1 1 30 30 MET HE2 H 1 1.952 0.030 . 1 . . . . 30 MET HE . 11128 1 329 . 1 1 30 30 MET HE3 H 1 1.952 0.030 . 1 . . . . 30 MET HE . 11128 1 330 . 1 1 30 30 MET HG2 H 1 2.617 0.030 . 2 . . . . 30 MET HG2 . 11128 1 331 . 1 1 30 30 MET HG3 H 1 2.496 0.030 . 2 . . . . 30 MET HG3 . 11128 1 332 . 1 1 30 30 MET C C 13 172.442 0.300 . 1 . . . . 30 MET C . 11128 1 333 . 1 1 30 30 MET CA C 13 51.381 0.300 . 1 . . . . 30 MET CA . 11128 1 334 . 1 1 30 30 MET CB C 13 34.243 0.300 . 1 . . . . 30 MET CB . 11128 1 335 . 1 1 30 30 MET CE C 13 14.568 0.300 . 1 . . . . 30 MET CE . 11128 1 336 . 1 1 30 30 MET CG C 13 29.099 0.300 . 1 . . . . 30 MET CG . 11128 1 337 . 1 1 30 30 MET N N 15 115.840 0.300 . 1 . . . . 30 MET N . 11128 1 338 . 1 1 31 31 TYR H H 1 8.725 0.030 . 1 . . . . 31 TYR H . 11128 1 339 . 1 1 31 31 TYR HA H 1 4.840 0.030 . 1 . . . . 31 TYR HA . 11128 1 340 . 1 1 31 31 TYR HB2 H 1 3.139 0.030 . 1 . . . . 31 TYR HB2 . 11128 1 341 . 1 1 31 31 TYR HB3 H 1 3.139 0.030 . 1 . . . . 31 TYR HB3 . 11128 1 342 . 1 1 31 31 TYR HD1 H 1 6.968 0.030 . 1 . . . . 31 TYR HD1 . 11128 1 343 . 1 1 31 31 TYR HD2 H 1 6.968 0.030 . 1 . . . . 31 TYR HD2 . 11128 1 344 . 1 1 31 31 TYR HE1 H 1 6.655 0.030 . 1 . . . . 31 TYR HE1 . 11128 1 345 . 1 1 31 31 TYR HE2 H 1 6.655 0.030 . 1 . . . . 31 TYR HE2 . 11128 1 346 . 1 1 31 31 TYR C C 13 170.343 0.300 . 1 . . . . 31 TYR C . 11128 1 347 . 1 1 31 31 TYR CA C 13 56.365 0.300 . 1 . . . . 31 TYR CA . 11128 1 348 . 1 1 31 31 TYR CB C 13 39.030 0.300 . 1 . . . . 31 TYR CB . 11128 1 349 . 1 1 31 31 TYR CD1 C 13 129.944 0.300 . 1 . . . . 31 TYR CD1 . 11128 1 350 . 1 1 31 31 TYR CD2 C 13 129.944 0.300 . 1 . . . . 31 TYR CD2 . 11128 1 351 . 1 1 31 31 TYR CE1 C 13 116.380 0.300 . 1 . . . . 31 TYR CE1 . 11128 1 352 . 1 1 31 31 TYR CE2 C 13 116.380 0.300 . 1 . . . . 31 TYR CE2 . 11128 1 353 . 1 1 31 31 TYR N N 15 122.090 0.300 . 1 . . . . 31 TYR N . 11128 1 354 . 1 1 32 32 ILE H H 1 8.082 0.030 . 1 . . . . 32 ILE H . 11128 1 355 . 1 1 32 32 ILE HA H 1 4.296 0.030 . 1 . . . . 32 ILE HA . 11128 1 356 . 1 1 32 32 ILE HB H 1 1.668 0.030 . 1 . . . . 32 ILE HB . 11128 1 357 . 1 1 32 32 ILE HD11 H 1 0.705 0.030 . 1 . . . . 32 ILE HD1 . 11128 1 358 . 1 1 32 32 ILE HD12 H 1 0.705 0.030 . 1 . . . . 32 ILE HD1 . 11128 1 359 . 1 1 32 32 ILE HD13 H 1 0.705 0.030 . 1 . . . . 32 ILE HD1 . 11128 1 360 . 1 1 32 32 ILE HG12 H 1 1.009 0.030 . 2 . . . . 32 ILE HG12 . 11128 1 361 . 1 1 32 32 ILE HG13 H 1 1.316 0.030 . 2 . . . . 32 ILE HG13 . 11128 1 362 . 1 1 32 32 ILE HG21 H 1 0.724 0.030 . 1 . . . . 32 ILE HG2 . 11128 1 363 . 1 1 32 32 ILE HG22 H 1 0.724 0.030 . 1 . . . . 32 ILE HG2 . 11128 1 364 . 1 1 32 32 ILE HG23 H 1 0.724 0.030 . 1 . . . . 32 ILE HG2 . 11128 1 365 . 1 1 32 32 ILE C C 13 171.573 0.300 . 1 . . . . 32 ILE C . 11128 1 366 . 1 1 32 32 ILE CA C 13 55.029 0.300 . 1 . . . . 32 ILE CA . 11128 1 367 . 1 1 32 32 ILE CB C 13 36.024 0.300 . 1 . . . . 32 ILE CB . 11128 1 368 . 1 1 32 32 ILE CD1 C 13 10.041 0.300 . 1 . . . . 32 ILE CD1 . 11128 1 369 . 1 1 32 32 ILE CG1 C 13 24.714 0.300 . 1 . . . . 32 ILE CG1 . 11128 1 370 . 1 1 32 32 ILE CG2 C 13 15.062 0.300 . 1 . . . . 32 ILE CG2 . 11128 1 371 . 1 1 32 32 ILE N N 15 129.498 0.300 . 1 . . . . 32 ILE N . 11128 1 372 . 1 1 33 33 PRO HA H 1 4.081 0.030 . 1 . . . . 33 PRO HA . 11128 1 373 . 1 1 33 33 PRO HB2 H 1 2.325 0.030 . 2 . . . . 33 PRO HB2 . 11128 1 374 . 1 1 33 33 PRO HB3 H 1 1.912 0.030 . 2 . . . . 33 PRO HB3 . 11128 1 375 . 1 1 33 33 PRO HD2 H 1 3.616 0.030 . 1 . . . . 33 PRO HD2 . 11128 1 376 . 1 1 33 33 PRO HD3 H 1 3.616 0.030 . 1 . . . . 33 PRO HD3 . 11128 1 377 . 1 1 33 33 PRO HG2 H 1 1.901 0.030 . 2 . . . . 33 PRO HG2 . 11128 1 378 . 1 1 33 33 PRO C C 13 175.794 0.300 . 1 . . . . 33 PRO C . 11128 1 379 . 1 1 33 33 PRO CA C 13 61.460 0.300 . 1 . . . . 33 PRO CA . 11128 1 380 . 1 1 33 33 PRO CB C 13 29.798 0.300 . 1 . . . . 33 PRO CB . 11128 1 381 . 1 1 33 33 PRO CD C 13 48.704 0.300 . 1 . . . . 33 PRO CD . 11128 1 382 . 1 1 33 33 PRO CG C 13 25.143 0.300 . 1 . . . . 33 PRO CG . 11128 1 383 . 1 1 34 34 ALA H H 1 8.310 0.030 . 1 . . . . 34 ALA H . 11128 1 384 . 1 1 34 34 ALA HA H 1 4.070 0.030 . 1 . . . . 34 ALA HA . 11128 1 385 . 1 1 34 34 ALA HB1 H 1 1.348 0.030 . 1 . . . . 34 ALA HB . 11128 1 386 . 1 1 34 34 ALA HB2 H 1 1.348 0.030 . 1 . . . . 34 ALA HB . 11128 1 387 . 1 1 34 34 ALA HB3 H 1 1.348 0.030 . 1 . . . . 34 ALA HB . 11128 1 388 . 1 1 34 34 ALA C C 13 176.315 0.300 . 1 . . . . 34 ALA C . 11128 1 389 . 1 1 34 34 ALA CA C 13 51.084 0.300 . 1 . . . . 34 ALA CA . 11128 1 390 . 1 1 34 34 ALA CB C 13 16.658 0.300 . 1 . . . . 34 ALA CB . 11128 1 391 . 1 1 34 34 ALA N N 15 122.193 0.300 . 1 . . . . 34 ALA N . 11128 1 392 . 1 1 35 35 SER H H 1 8.153 0.030 . 1 . . . . 35 SER H . 11128 1 393 . 1 1 35 35 SER HA H 1 4.145 0.030 . 1 . . . . 35 SER HA . 11128 1 394 . 1 1 35 35 SER HB2 H 1 3.739 0.030 . 1 . . . . 35 SER HB2 . 11128 1 395 . 1 1 35 35 SER HB3 H 1 3.739 0.030 . 1 . . . . 35 SER HB3 . 11128 1 396 . 1 1 35 35 SER C C 13 172.083 0.300 . 1 . . . . 35 SER C . 11128 1 397 . 1 1 35 35 SER CA C 13 57.596 0.300 . 1 . . . . 35 SER CA . 11128 1 398 . 1 1 35 35 SER CB C 13 60.978 0.300 . 1 . . . . 35 SER CB . 11128 1 399 . 1 1 35 35 SER N N 15 114.406 0.300 . 1 . . . . 35 SER N . 11128 1 400 . 1 1 36 36 ASN HA H 1 4.486 0.030 . 1 . . . . 36 ASN HA . 11128 1 401 . 1 1 36 36 ASN HB2 H 1 2.594 0.030 . 2 . . . . 36 ASN HB2 . 11128 1 402 . 1 1 36 36 ASN HB3 H 1 2.831 0.030 . 2 . . . . 36 ASN HB3 . 11128 1 403 . 1 1 36 36 ASN HD21 H 1 6.799 0.030 . 2 . . . . 36 ASN HD21 . 11128 1 404 . 1 1 36 36 ASN HD22 H 1 7.502 0.030 . 2 . . . . 36 ASN HD22 . 11128 1 405 . 1 1 36 36 ASN CA C 13 51.430 0.300 . 1 . . . . 36 ASN CA . 11128 1 406 . 1 1 36 36 ASN CB C 13 35.808 0.300 . 1 . . . . 36 ASN CB . 11128 1 407 . 1 1 36 36 ASN ND2 N 15 112.257 0.300 . 1 . . . . 36 ASN ND2 . 11128 1 408 . 1 1 37 37 ASN HA H 1 4.825 0.030 . 1 . . . . 37 ASN HA . 11128 1 409 . 1 1 37 37 ASN HB2 H 1 2.884 0.030 . 2 . . . . 37 ASN HB2 . 11128 1 410 . 1 1 37 37 ASN HB3 H 1 2.626 0.030 . 2 . . . . 37 ASN HB3 . 11128 1 411 . 1 1 37 37 ASN C C 13 172.571 0.300 . 1 . . . . 37 ASN C . 11128 1 412 . 1 1 37 37 ASN CA C 13 50.779 0.300 . 1 . . . . 37 ASN CA . 11128 1 413 . 1 1 37 37 ASN CB C 13 36.818 0.300 . 1 . . . . 37 ASN CB . 11128 1 414 . 1 1 38 38 ASN H H 1 7.947 0.030 . 1 . . . . 38 ASN H . 11128 1 415 . 1 1 38 38 ASN HA H 1 4.279 0.030 . 1 . . . . 38 ASN HA . 11128 1 416 . 1 1 38 38 ASN HB2 H 1 2.725 0.030 . 2 . . . . 38 ASN HB2 . 11128 1 417 . 1 1 38 38 ASN HB3 H 1 2.805 0.030 . 2 . . . . 38 ASN HB3 . 11128 1 418 . 1 1 38 38 ASN HD21 H 1 6.741 0.030 . 2 . . . . 38 ASN HD21 . 11128 1 419 . 1 1 38 38 ASN HD22 H 1 7.450 0.030 . 2 . . . . 38 ASN HD22 . 11128 1 420 . 1 1 38 38 ASN C C 13 172.226 0.300 . 1 . . . . 38 ASN C . 11128 1 421 . 1 1 38 38 ASN CA C 13 51.562 0.300 . 1 . . . . 38 ASN CA . 11128 1 422 . 1 1 38 38 ASN CB C 13 35.700 0.300 . 1 . . . . 38 ASN CB . 11128 1 423 . 1 1 38 38 ASN N N 15 117.001 0.300 . 1 . . . . 38 ASN N . 11128 1 424 . 1 1 38 38 ASN ND2 N 15 112.156 0.300 . 1 . . . . 38 ASN ND2 . 11128 1 425 . 1 1 39 39 THR H H 1 7.666 0.030 . 1 . . . . 39 THR H . 11128 1 426 . 1 1 39 39 THR HA H 1 4.463 0.030 . 1 . . . . 39 THR HA . 11128 1 427 . 1 1 39 39 THR HB H 1 4.074 0.030 . 1 . . . . 39 THR HB . 11128 1 428 . 1 1 39 39 THR HG21 H 1 1.023 0.030 . 1 . . . . 39 THR HG2 . 11128 1 429 . 1 1 39 39 THR HG22 H 1 1.023 0.030 . 1 . . . . 39 THR HG2 . 11128 1 430 . 1 1 39 39 THR HG23 H 1 1.023 0.030 . 1 . . . . 39 THR HG2 . 11128 1 431 . 1 1 39 39 THR C C 13 170.115 0.300 . 1 . . . . 39 THR C . 11128 1 432 . 1 1 39 39 THR CA C 13 57.881 0.300 . 1 . . . . 39 THR CA . 11128 1 433 . 1 1 39 39 THR CB C 13 67.557 0.300 . 1 . . . . 39 THR CB . 11128 1 434 . 1 1 39 39 THR CG2 C 13 18.941 0.300 . 1 . . . . 39 THR CG2 . 11128 1 435 . 1 1 39 39 THR N N 15 116.504 0.300 . 1 . . . . 39 THR N . 11128 1 436 . 1 1 40 40 PRO HA H 1 4.309 0.030 . 1 . . . . 40 PRO HA . 11128 1 437 . 1 1 40 40 PRO HB2 H 1 2.230 0.030 . 2 . . . . 40 PRO HB2 . 11128 1 438 . 1 1 40 40 PRO HB3 H 1 1.715 0.030 . 2 . . . . 40 PRO HB3 . 11128 1 439 . 1 1 40 40 PRO HD2 H 1 3.645 0.030 . 2 . . . . 40 PRO HD2 . 11128 1 440 . 1 1 40 40 PRO HD3 H 1 3.772 0.030 . 2 . . . . 40 PRO HD3 . 11128 1 441 . 1 1 40 40 PRO HG2 H 1 1.963 0.030 . 2 . . . . 40 PRO HG2 . 11128 1 442 . 1 1 40 40 PRO HG3 H 1 1.903 0.030 . 2 . . . . 40 PRO HG3 . 11128 1 443 . 1 1 40 40 PRO C C 13 174.047 0.300 . 1 . . . . 40 PRO C . 11128 1 444 . 1 1 40 40 PRO CA C 13 60.832 0.300 . 1 . . . . 40 PRO CA . 11128 1 445 . 1 1 40 40 PRO CB C 13 30.111 0.300 . 1 . . . . 40 PRO CB . 11128 1 446 . 1 1 40 40 PRO CD C 13 48.929 0.300 . 1 . . . . 40 PRO CD . 11128 1 447 . 1 1 40 40 PRO CG C 13 25.187 0.300 . 1 . . . . 40 PRO CG . 11128 1 448 . 1 1 41 41 ILE H H 1 8.217 0.030 . 1 . . . . 41 ILE H . 11128 1 449 . 1 1 41 41 ILE HA H 1 3.931 0.030 . 1 . . . . 41 ILE HA . 11128 1 450 . 1 1 41 41 ILE HB H 1 1.536 0.030 . 1 . . . . 41 ILE HB . 11128 1 451 . 1 1 41 41 ILE HD11 H 1 0.172 0.030 . 1 . . . . 41 ILE HD1 . 11128 1 452 . 1 1 41 41 ILE HD12 H 1 0.172 0.030 . 1 . . . . 41 ILE HD1 . 11128 1 453 . 1 1 41 41 ILE HD13 H 1 0.172 0.030 . 1 . . . . 41 ILE HD1 . 11128 1 454 . 1 1 41 41 ILE HG12 H 1 0.957 0.030 . 2 . . . . 41 ILE HG12 . 11128 1 455 . 1 1 41 41 ILE HG13 H 1 1.065 0.030 . 2 . . . . 41 ILE HG13 . 11128 1 456 . 1 1 41 41 ILE HG21 H 1 0.320 0.030 . 1 . . . . 41 ILE HG2 . 11128 1 457 . 1 1 41 41 ILE HG22 H 1 0.320 0.030 . 1 . . . . 41 ILE HG2 . 11128 1 458 . 1 1 41 41 ILE HG23 H 1 0.320 0.030 . 1 . . . . 41 ILE HG2 . 11128 1 459 . 1 1 41 41 ILE C C 13 173.559 0.300 . 1 . . . . 41 ILE C . 11128 1 460 . 1 1 41 41 ILE CA C 13 57.127 0.300 . 1 . . . . 41 ILE CA . 11128 1 461 . 1 1 41 41 ILE CB C 13 36.757 0.300 . 1 . . . . 41 ILE CB . 11128 1 462 . 1 1 41 41 ILE CD1 C 13 10.421 0.300 . 1 . . . . 41 ILE CD1 . 11128 1 463 . 1 1 41 41 ILE CG1 C 13 23.869 0.300 . 1 . . . . 41 ILE CG1 . 11128 1 464 . 1 1 41 41 ILE CG2 C 13 16.385 0.300 . 1 . . . . 41 ILE CG2 . 11128 1 465 . 1 1 41 41 ILE N N 15 117.618 0.300 . 1 . . . . 41 ILE N . 11128 1 466 . 1 1 42 42 HIS H H 1 8.325 0.030 . 1 . . . . 42 HIS H . 11128 1 467 . 1 1 42 42 HIS HA H 1 4.475 0.030 . 1 . . . . 42 HIS HA . 11128 1 468 . 1 1 42 42 HIS HB2 H 1 2.692 0.030 . 2 . . . . 42 HIS HB2 . 11128 1 469 . 1 1 42 42 HIS HB3 H 1 2.264 0.030 . 2 . . . . 42 HIS HB3 . 11128 1 470 . 1 1 42 42 HIS HD2 H 1 6.587 0.030 . 1 . . . . 42 HIS HD2 . 11128 1 471 . 1 1 42 42 HIS HE1 H 1 7.708 0.030 . 1 . . . . 42 HIS HE1 . 11128 1 472 . 1 1 42 42 HIS C C 13 173.005 0.300 . 1 . . . . 42 HIS C . 11128 1 473 . 1 1 42 42 HIS CA C 13 52.748 0.300 . 1 . . . . 42 HIS CA . 11128 1 474 . 1 1 42 42 HIS CB C 13 30.302 0.300 . 1 . . . . 42 HIS CB . 11128 1 475 . 1 1 42 42 HIS CD2 C 13 114.222 0.300 . 1 . . . . 42 HIS CD2 . 11128 1 476 . 1 1 42 42 HIS CE1 C 13 136.511 0.300 . 1 . . . . 42 HIS CE1 . 11128 1 477 . 1 1 42 42 HIS N N 15 122.085 0.300 . 1 . . . . 42 HIS N . 11128 1 478 . 1 1 43 43 GLY H H 1 6.162 0.030 . 1 . . . . 43 GLY H . 11128 1 479 . 1 1 43 43 GLY HA2 H 1 3.522 0.030 . 2 . . . . 43 GLY HA2 . 11128 1 480 . 1 1 43 43 GLY HA3 H 1 3.154 0.030 . 2 . . . . 43 GLY HA3 . 11128 1 481 . 1 1 43 43 GLY C C 13 166.587 0.300 . 1 . . . . 43 GLY C . 11128 1 482 . 1 1 43 43 GLY CA C 13 42.630 0.300 . 1 . . . . 43 GLY CA . 11128 1 483 . 1 1 43 43 GLY N N 15 103.737 0.300 . 1 . . . . 43 GLY N . 11128 1 484 . 1 1 44 44 PHE H H 1 8.707 0.030 . 1 . . . . 44 PHE H . 11128 1 485 . 1 1 44 44 PHE HA H 1 4.913 0.030 . 1 . . . . 44 PHE HA . 11128 1 486 . 1 1 44 44 PHE HB2 H 1 2.293 0.030 . 2 . . . . 44 PHE HB2 . 11128 1 487 . 1 1 44 44 PHE HB3 H 1 2.051 0.030 . 2 . . . . 44 PHE HB3 . 11128 1 488 . 1 1 44 44 PHE HD1 H 1 6.753 0.030 . 1 . . . . 44 PHE HD1 . 11128 1 489 . 1 1 44 44 PHE HD2 H 1 6.753 0.030 . 1 . . . . 44 PHE HD2 . 11128 1 490 . 1 1 44 44 PHE HE1 H 1 6.996 0.030 . 1 . . . . 44 PHE HE1 . 11128 1 491 . 1 1 44 44 PHE HE2 H 1 6.996 0.030 . 1 . . . . 44 PHE HE2 . 11128 1 492 . 1 1 44 44 PHE HZ H 1 7.191 0.030 . 1 . . . . 44 PHE HZ . 11128 1 493 . 1 1 44 44 PHE C C 13 172.223 0.300 . 1 . . . . 44 PHE C . 11128 1 494 . 1 1 44 44 PHE CA C 13 53.425 0.300 . 1 . . . . 44 PHE CA . 11128 1 495 . 1 1 44 44 PHE CB C 13 40.107 0.300 . 1 . . . . 44 PHE CB . 11128 1 496 . 1 1 44 44 PHE CD1 C 13 130.822 0.300 . 1 . . . . 44 PHE CD1 . 11128 1 497 . 1 1 44 44 PHE CD2 C 13 130.822 0.300 . 1 . . . . 44 PHE CD2 . 11128 1 498 . 1 1 44 44 PHE CE1 C 13 129.028 0.300 . 1 . . . . 44 PHE CE1 . 11128 1 499 . 1 1 44 44 PHE CE2 C 13 129.028 0.300 . 1 . . . . 44 PHE CE2 . 11128 1 500 . 1 1 44 44 PHE CZ C 13 127.227 0.300 . 1 . . . . 44 PHE CZ . 11128 1 501 . 1 1 44 44 PHE N N 15 114.155 0.300 . 1 . . . . 44 PHE N . 11128 1 502 . 1 1 45 45 TYR H H 1 8.527 0.030 . 1 . . . . 45 TYR H . 11128 1 503 . 1 1 45 45 TYR HA H 1 5.525 0.030 . 1 . . . . 45 TYR HA . 11128 1 504 . 1 1 45 45 TYR HB2 H 1 2.671 0.030 . 2 . . . . 45 TYR HB2 . 11128 1 505 . 1 1 45 45 TYR HB3 H 1 2.400 0.030 . 2 . . . . 45 TYR HB3 . 11128 1 506 . 1 1 45 45 TYR HD1 H 1 6.776 0.030 . 1 . . . . 45 TYR HD1 . 11128 1 507 . 1 1 45 45 TYR HD2 H 1 6.776 0.030 . 1 . . . . 45 TYR HD2 . 11128 1 508 . 1 1 45 45 TYR HE1 H 1 6.144 0.030 . 1 . . . . 45 TYR HE1 . 11128 1 509 . 1 1 45 45 TYR HE2 H 1 6.144 0.030 . 1 . . . . 45 TYR HE2 . 11128 1 510 . 1 1 45 45 TYR C C 13 172.725 0.300 . 1 . . . . 45 TYR C . 11128 1 511 . 1 1 45 45 TYR CA C 13 52.234 0.300 . 1 . . . . 45 TYR CA . 11128 1 512 . 1 1 45 45 TYR CB C 13 39.951 0.300 . 1 . . . . 45 TYR CB . 11128 1 513 . 1 1 45 45 TYR CD1 C 13 128.882 0.300 . 1 . . . . 45 TYR CD1 . 11128 1 514 . 1 1 45 45 TYR CD2 C 13 128.882 0.300 . 1 . . . . 45 TYR CD2 . 11128 1 515 . 1 1 45 45 TYR CE1 C 13 115.803 0.300 . 1 . . . . 45 TYR CE1 . 11128 1 516 . 1 1 45 45 TYR CE2 C 13 115.803 0.300 . 1 . . . . 45 TYR CE2 . 11128 1 517 . 1 1 45 45 TYR N N 15 118.069 0.300 . 1 . . . . 45 TYR N . 11128 1 518 . 1 1 46 46 ILE H H 1 9.023 0.030 . 1 . . . . 46 ILE H . 11128 1 519 . 1 1 46 46 ILE HA H 1 4.260 0.030 . 1 . . . . 46 ILE HA . 11128 1 520 . 1 1 46 46 ILE HB H 1 1.561 0.030 . 1 . . . . 46 ILE HB . 11128 1 521 . 1 1 46 46 ILE HD11 H 1 0.243 0.030 . 1 . . . . 46 ILE HD1 . 11128 1 522 . 1 1 46 46 ILE HD12 H 1 0.243 0.030 . 1 . . . . 46 ILE HD1 . 11128 1 523 . 1 1 46 46 ILE HD13 H 1 0.243 0.030 . 1 . . . . 46 ILE HD1 . 11128 1 524 . 1 1 46 46 ILE HG12 H 1 0.916 0.030 . 2 . . . . 46 ILE HG12 . 11128 1 525 . 1 1 46 46 ILE HG13 H 1 0.748 0.030 . 2 . . . . 46 ILE HG13 . 11128 1 526 . 1 1 46 46 ILE HG21 H 1 0.801 0.030 . 1 . . . . 46 ILE HG2 . 11128 1 527 . 1 1 46 46 ILE HG22 H 1 0.801 0.030 . 1 . . . . 46 ILE HG2 . 11128 1 528 . 1 1 46 46 ILE HG23 H 1 0.801 0.030 . 1 . . . . 46 ILE HG2 . 11128 1 529 . 1 1 46 46 ILE C C 13 171.477 0.300 . 1 . . . . 46 ILE C . 11128 1 530 . 1 1 46 46 ILE CA C 13 58.525 0.300 . 1 . . . . 46 ILE CA . 11128 1 531 . 1 1 46 46 ILE CB C 13 37.686 0.300 . 1 . . . . 46 ILE CB . 11128 1 532 . 1 1 46 46 ILE CD1 C 13 12.999 0.300 . 1 . . . . 46 ILE CD1 . 11128 1 533 . 1 1 46 46 ILE CG1 C 13 26.371 0.300 . 1 . . . . 46 ILE CG1 . 11128 1 534 . 1 1 46 46 ILE CG2 C 13 17.521 0.300 . 1 . . . . 46 ILE CG2 . 11128 1 535 . 1 1 46 46 ILE N N 15 123.208 0.300 . 1 . . . . 46 ILE N . 11128 1 536 . 1 1 47 47 TYR H H 1 9.507 0.030 . 1 . . . . 47 TYR H . 11128 1 537 . 1 1 47 47 TYR HA H 1 5.664 0.030 . 1 . . . . 47 TYR HA . 11128 1 538 . 1 1 47 47 TYR HB2 H 1 2.475 0.030 . 2 . . . . 47 TYR HB2 . 11128 1 539 . 1 1 47 47 TYR HB3 H 1 2.323 0.030 . 2 . . . . 47 TYR HB3 . 11128 1 540 . 1 1 47 47 TYR HD1 H 1 6.672 0.030 . 1 . . . . 47 TYR HD1 . 11128 1 541 . 1 1 47 47 TYR HD2 H 1 6.672 0.030 . 1 . . . . 47 TYR HD2 . 11128 1 542 . 1 1 47 47 TYR HE1 H 1 6.576 0.030 . 1 . . . . 47 TYR HE1 . 11128 1 543 . 1 1 47 47 TYR HE2 H 1 6.576 0.030 . 1 . . . . 47 TYR HE2 . 11128 1 544 . 1 1 47 47 TYR C C 13 173.498 0.300 . 1 . . . . 47 TYR C . 11128 1 545 . 1 1 47 47 TYR CA C 13 53.944 0.300 . 1 . . . . 47 TYR CA . 11128 1 546 . 1 1 47 47 TYR CB C 13 37.675 0.300 . 1 . . . . 47 TYR CB . 11128 1 547 . 1 1 47 47 TYR CD1 C 13 130.015 0.300 . 1 . . . . 47 TYR CD1 . 11128 1 548 . 1 1 47 47 TYR CD2 C 13 130.015 0.300 . 1 . . . . 47 TYR CD2 . 11128 1 549 . 1 1 47 47 TYR CE1 C 13 116.187 0.300 . 1 . . . . 47 TYR CE1 . 11128 1 550 . 1 1 47 47 TYR CE2 C 13 116.187 0.300 . 1 . . . . 47 TYR CE2 . 11128 1 551 . 1 1 47 47 TYR N N 15 126.204 0.300 . 1 . . . . 47 TYR N . 11128 1 552 . 1 1 48 48 TYR H H 1 8.422 0.030 . 1 . . . . 48 TYR H . 11128 1 553 . 1 1 48 48 TYR HA H 1 6.302 0.030 . 1 . . . . 48 TYR HA . 11128 1 554 . 1 1 48 48 TYR HB2 H 1 3.113 0.030 . 2 . . . . 48 TYR HB2 . 11128 1 555 . 1 1 48 48 TYR HB3 H 1 2.505 0.030 . 2 . . . . 48 TYR HB3 . 11128 1 556 . 1 1 48 48 TYR HD1 H 1 6.568 0.030 . 1 . . . . 48 TYR HD1 . 11128 1 557 . 1 1 48 48 TYR HD2 H 1 6.568 0.030 . 1 . . . . 48 TYR HD2 . 11128 1 558 . 1 1 48 48 TYR HE1 H 1 6.465 0.030 . 1 . . . . 48 TYR HE1 . 11128 1 559 . 1 1 48 48 TYR HE2 H 1 6.465 0.030 . 1 . . . . 48 TYR HE2 . 11128 1 560 . 1 1 48 48 TYR C C 13 172.888 0.300 . 1 . . . . 48 TYR C . 11128 1 561 . 1 1 48 48 TYR CA C 13 52.628 0.300 . 1 . . . . 48 TYR CA . 11128 1 562 . 1 1 48 48 TYR CB C 13 38.105 0.300 . 1 . . . . 48 TYR CB . 11128 1 563 . 1 1 48 48 TYR CD1 C 13 131.572 0.300 . 1 . . . . 48 TYR CD1 . 11128 1 564 . 1 1 48 48 TYR CD2 C 13 131.572 0.300 . 1 . . . . 48 TYR CD2 . 11128 1 565 . 1 1 48 48 TYR CE1 C 13 115.655 0.300 . 1 . . . . 48 TYR CE1 . 11128 1 566 . 1 1 48 48 TYR CE2 C 13 115.655 0.300 . 1 . . . . 48 TYR CE2 . 11128 1 567 . 1 1 48 48 TYR N N 15 114.526 0.300 . 1 . . . . 48 TYR N . 11128 1 568 . 1 1 49 49 ARG H H 1 8.813 0.030 . 1 . . . . 49 ARG H . 11128 1 569 . 1 1 49 49 ARG HA H 1 5.213 0.030 . 1 . . . . 49 ARG HA . 11128 1 570 . 1 1 49 49 ARG HB2 H 1 1.273 0.030 . 2 . . . . 49 ARG HB2 . 11128 1 571 . 1 1 49 49 ARG HB3 H 1 1.340 0.030 . 2 . . . . 49 ARG HB3 . 11128 1 572 . 1 1 49 49 ARG HD2 H 1 2.365 0.030 . 2 . . . . 49 ARG HD2 . 11128 1 573 . 1 1 49 49 ARG HD3 H 1 1.096 0.030 . 2 . . . . 49 ARG HD3 . 11128 1 574 . 1 1 49 49 ARG HE H 1 7.206 0.030 . 1 . . . . 49 ARG HE . 11128 1 575 . 1 1 49 49 ARG HG2 H 1 1.136 0.030 . 2 . . . . 49 ARG HG2 . 11128 1 576 . 1 1 49 49 ARG HG3 H 1 1.250 0.030 . 2 . . . . 49 ARG HG3 . 11128 1 577 . 1 1 49 49 ARG C C 13 169.168 0.300 . 1 . . . . 49 ARG C . 11128 1 578 . 1 1 49 49 ARG CA C 13 51.252 0.300 . 1 . . . . 49 ARG CA . 11128 1 579 . 1 1 49 49 ARG CB C 13 29.850 0.300 . 1 . . . . 49 ARG CB . 11128 1 580 . 1 1 49 49 ARG CD C 13 40.578 0.300 . 1 . . . . 49 ARG CD . 11128 1 581 . 1 1 49 49 ARG CG C 13 22.278 0.300 . 1 . . . . 49 ARG CG . 11128 1 582 . 1 1 49 49 ARG N N 15 119.193 0.300 . 1 . . . . 49 ARG N . 11128 1 583 . 1 1 49 49 ARG NE N 15 85.695 0.300 . 1 . . . . 49 ARG NE . 11128 1 584 . 1 1 50 50 PRO HA H 1 4.217 0.030 . 1 . . . . 50 PRO HA . 11128 1 585 . 1 1 50 50 PRO HB2 H 1 1.888 0.030 . 2 . . . . 50 PRO HB2 . 11128 1 586 . 1 1 50 50 PRO HB3 H 1 1.596 0.030 . 2 . . . . 50 PRO HB3 . 11128 1 587 . 1 1 50 50 PRO HD2 H 1 3.420 0.030 . 2 . . . . 50 PRO HD2 . 11128 1 588 . 1 1 50 50 PRO HD3 H 1 3.992 0.030 . 2 . . . . 50 PRO HD3 . 11128 1 589 . 1 1 50 50 PRO HG2 H 1 2.059 0.030 . 2 . . . . 50 PRO HG2 . 11128 1 590 . 1 1 50 50 PRO HG3 H 1 1.650 0.030 . 2 . . . . 50 PRO HG3 . 11128 1 591 . 1 1 50 50 PRO C C 13 175.079 0.300 . 1 . . . . 50 PRO C . 11128 1 592 . 1 1 50 50 PRO CA C 13 60.689 0.300 . 1 . . . . 50 PRO CA . 11128 1 593 . 1 1 50 50 PRO CB C 13 29.131 0.300 . 1 . . . . 50 PRO CB . 11128 1 594 . 1 1 50 50 PRO CD C 13 48.487 0.300 . 1 . . . . 50 PRO CD . 11128 1 595 . 1 1 50 50 PRO CG C 13 25.823 0.300 . 1 . . . . 50 PRO CG . 11128 1 596 . 1 1 51 51 THR H H 1 8.895 0.030 . 1 . . . . 51 THR H . 11128 1 597 . 1 1 51 51 THR HA H 1 3.691 0.030 . 1 . . . . 51 THR HA . 11128 1 598 . 1 1 51 51 THR HB H 1 3.442 0.030 . 1 . . . . 51 THR HB . 11128 1 599 . 1 1 51 51 THR HG21 H 1 1.127 0.030 . 1 . . . . 51 THR HG2 . 11128 1 600 . 1 1 51 51 THR HG22 H 1 1.127 0.030 . 1 . . . . 51 THR HG2 . 11128 1 601 . 1 1 51 51 THR HG23 H 1 1.127 0.030 . 1 . . . . 51 THR HG2 . 11128 1 602 . 1 1 51 51 THR C C 13 172.583 0.300 . 1 . . . . 51 THR C . 11128 1 603 . 1 1 51 51 THR CA C 13 62.826 0.300 . 1 . . . . 51 THR CA . 11128 1 604 . 1 1 51 51 THR CB C 13 68.007 0.300 . 1 . . . . 51 THR CB . 11128 1 605 . 1 1 51 51 THR CG2 C 13 19.501 0.300 . 1 . . . . 51 THR CG2 . 11128 1 606 . 1 1 51 51 THR N N 15 124.711 0.300 . 1 . . . . 51 THR N . 11128 1 607 . 1 1 52 52 ASP H H 1 8.369 0.030 . 1 . . . . 52 ASP H . 11128 1 608 . 1 1 52 52 ASP HA H 1 4.357 0.030 . 1 . . . . 52 ASP HA . 11128 1 609 . 1 1 52 52 ASP HB2 H 1 2.557 0.030 . 2 . . . . 52 ASP HB2 . 11128 1 610 . 1 1 52 52 ASP HB3 H 1 2.471 0.030 . 2 . . . . 52 ASP HB3 . 11128 1 611 . 1 1 52 52 ASP C C 13 173.446 0.300 . 1 . . . . 52 ASP C . 11128 1 612 . 1 1 52 52 ASP CA C 13 51.932 0.300 . 1 . . . . 52 ASP CA . 11128 1 613 . 1 1 52 52 ASP CB C 13 37.599 0.300 . 1 . . . . 52 ASP CB . 11128 1 614 . 1 1 52 52 ASP N N 15 118.252 0.300 . 1 . . . . 52 ASP N . 11128 1 615 . 1 1 53 53 SER H H 1 7.516 0.030 . 1 . . . . 53 SER H . 11128 1 616 . 1 1 53 53 SER HA H 1 4.210 0.030 . 1 . . . . 53 SER HA . 11128 1 617 . 1 1 53 53 SER HB2 H 1 3.623 0.030 . 1 . . . . 53 SER HB2 . 11128 1 618 . 1 1 53 53 SER HB3 H 1 3.623 0.030 . 1 . . . . 53 SER HB3 . 11128 1 619 . 1 1 53 53 SER C C 13 171.779 0.300 . 1 . . . . 53 SER C . 11128 1 620 . 1 1 53 53 SER CA C 13 56.178 0.300 . 1 . . . . 53 SER CA . 11128 1 621 . 1 1 53 53 SER CB C 13 61.621 0.300 . 1 . . . . 53 SER CB . 11128 1 622 . 1 1 53 53 SER N N 15 114.971 0.300 . 1 . . . . 53 SER N . 11128 1 623 . 1 1 54 54 ASP H H 1 8.265 0.030 . 1 . . . . 54 ASP H . 11128 1 624 . 1 1 54 54 ASP HA H 1 4.499 0.030 . 1 . . . . 54 ASP HA . 11128 1 625 . 1 1 54 54 ASP HB2 H 1 2.518 0.030 . 2 . . . . 54 ASP HB2 . 11128 1 626 . 1 1 54 54 ASP HB3 H 1 2.552 0.030 . 2 . . . . 54 ASP HB3 . 11128 1 627 . 1 1 54 54 ASP C C 13 174.077 0.300 . 1 . . . . 54 ASP C . 11128 1 628 . 1 1 54 54 ASP CA C 13 51.392 0.300 . 1 . . . . 54 ASP CA . 11128 1 629 . 1 1 54 54 ASP CB C 13 39.253 0.300 . 1 . . . . 54 ASP CB . 11128 1 630 . 1 1 54 54 ASP N N 15 122.729 0.300 . 1 . . . . 54 ASP N . 11128 1 631 . 1 1 55 55 ASN H H 1 8.215 0.030 . 1 . . . . 55 ASN H . 11128 1 632 . 1 1 55 55 ASN HA H 1 4.573 0.030 . 1 . . . . 55 ASN HA . 11128 1 633 . 1 1 55 55 ASN HB2 H 1 2.548 0.030 . 2 . . . . 55 ASN HB2 . 11128 1 634 . 1 1 55 55 ASN HB3 H 1 2.683 0.030 . 2 . . . . 55 ASN HB3 . 11128 1 635 . 1 1 55 55 ASN HD21 H 1 6.822 0.030 . 2 . . . . 55 ASN HD21 . 11128 1 636 . 1 1 55 55 ASN HD22 H 1 7.557 0.030 . 2 . . . . 55 ASN HD22 . 11128 1 637 . 1 1 55 55 ASN C C 13 173.953 0.300 . 1 . . . . 55 ASN C . 11128 1 638 . 1 1 55 55 ASN CA C 13 51.208 0.300 . 1 . . . . 55 ASN CA . 11128 1 639 . 1 1 55 55 ASN CB C 13 37.222 0.300 . 1 . . . . 55 ASN CB . 11128 1 640 . 1 1 55 55 ASN N N 15 118.219 0.300 . 1 . . . . 55 ASN N . 11128 1 641 . 1 1 55 55 ASN ND2 N 15 113.374 0.300 . 1 . . . . 55 ASN ND2 . 11128 1 642 . 1 1 56 56 ASP HA H 1 4.411 0.030 . 1 . . . . 56 ASP HA . 11128 1 643 . 1 1 56 56 ASP HB2 H 1 2.646 0.030 . 2 . . . . 56 ASP HB2 . 11128 1 644 . 1 1 56 56 ASP HB3 H 1 2.560 0.030 . 2 . . . . 56 ASP HB3 . 11128 1 645 . 1 1 56 56 ASP C C 13 174.692 0.300 . 1 . . . . 56 ASP C . 11128 1 646 . 1 1 56 56 ASP CA C 13 53.335 0.300 . 1 . . . . 56 ASP CA . 11128 1 647 . 1 1 56 56 ASP CB C 13 37.971 0.300 . 1 . . . . 56 ASP CB . 11128 1 648 . 1 1 57 57 SER H H 1 7.997 0.030 . 1 . . . . 57 SER H . 11128 1 649 . 1 1 57 57 SER HA H 1 4.259 0.030 . 1 . . . . 57 SER HA . 11128 1 650 . 1 1 57 57 SER HB2 H 1 3.767 0.030 . 1 . . . . 57 SER HB2 . 11128 1 651 . 1 1 57 57 SER HB3 H 1 3.767 0.030 . 1 . . . . 57 SER HB3 . 11128 1 652 . 1 1 57 57 SER C C 13 171.963 0.300 . 1 . . . . 57 SER C . 11128 1 653 . 1 1 57 57 SER CA C 13 57.054 0.300 . 1 . . . . 57 SER CA . 11128 1 654 . 1 1 57 57 SER CB C 13 61.132 0.300 . 1 . . . . 57 SER CB . 11128 1 655 . 1 1 57 57 SER N N 15 114.792 0.300 . 1 . . . . 57 SER N . 11128 1 656 . 1 1 58 58 ASP H H 1 7.912 0.030 . 1 . . . . 58 ASP H . 11128 1 657 . 1 1 58 58 ASP HA H 1 4.512 0.030 . 1 . . . . 58 ASP HA . 11128 1 658 . 1 1 58 58 ASP HB2 H 1 2.571 0.030 . 2 . . . . 58 ASP HB2 . 11128 1 659 . 1 1 58 58 ASP HB3 H 1 2.499 0.030 . 2 . . . . 58 ASP HB3 . 11128 1 660 . 1 1 58 58 ASP C C 13 174.418 0.300 . 1 . . . . 58 ASP C . 11128 1 661 . 1 1 58 58 ASP CA C 13 52.318 0.300 . 1 . . . . 58 ASP CA . 11128 1 662 . 1 1 58 58 ASP CB C 13 38.850 0.300 . 1 . . . . 58 ASP CB . 11128 1 663 . 1 1 58 58 ASP N N 15 120.098 0.300 . 1 . . . . 58 ASP N . 11128 1 664 . 1 1 59 59 TYR H H 1 7.829 0.030 . 1 . . . . 59 TYR H . 11128 1 665 . 1 1 59 59 TYR HA H 1 4.226 0.030 . 1 . . . . 59 TYR HA . 11128 1 666 . 1 1 59 59 TYR HB2 H 1 2.921 0.030 . 2 . . . . 59 TYR HB2 . 11128 1 667 . 1 1 59 59 TYR HB3 H 1 2.777 0.030 . 2 . . . . 59 TYR HB3 . 11128 1 668 . 1 1 59 59 TYR HD1 H 1 7.045 0.030 . 1 . . . . 59 TYR HD1 . 11128 1 669 . 1 1 59 59 TYR HD2 H 1 7.045 0.030 . 1 . . . . 59 TYR HD2 . 11128 1 670 . 1 1 59 59 TYR HE1 H 1 6.518 0.030 . 1 . . . . 59 TYR HE1 . 11128 1 671 . 1 1 59 59 TYR HE2 H 1 6.518 0.030 . 1 . . . . 59 TYR HE2 . 11128 1 672 . 1 1 59 59 TYR C C 13 174.951 0.300 . 1 . . . . 59 TYR C . 11128 1 673 . 1 1 59 59 TYR CA C 13 57.434 0.300 . 1 . . . . 59 TYR CA . 11128 1 674 . 1 1 59 59 TYR CB C 13 36.909 0.300 . 1 . . . . 59 TYR CB . 11128 1 675 . 1 1 59 59 TYR CD1 C 13 131.295 0.300 . 1 . . . . 59 TYR CD1 . 11128 1 676 . 1 1 59 59 TYR CD2 C 13 131.295 0.300 . 1 . . . . 59 TYR CD2 . 11128 1 677 . 1 1 59 59 TYR CE1 C 13 115.481 0.300 . 1 . . . . 59 TYR CE1 . 11128 1 678 . 1 1 59 59 TYR CE2 C 13 115.481 0.300 . 1 . . . . 59 TYR CE2 . 11128 1 679 . 1 1 59 59 TYR N N 15 117.303 0.300 . 1 . . . . 59 TYR N . 11128 1 680 . 1 1 60 60 LYS H H 1 8.201 0.030 . 1 . . . . 60 LYS H . 11128 1 681 . 1 1 60 60 LYS HA H 1 4.153 0.030 . 1 . . . . 60 LYS HA . 11128 1 682 . 1 1 60 60 LYS HB2 H 1 1.279 0.030 . 2 . . . . 60 LYS HB2 . 11128 1 683 . 1 1 60 60 LYS HB3 H 1 0.699 0.030 . 2 . . . . 60 LYS HB3 . 11128 1 684 . 1 1 60 60 LYS HD2 H 1 1.625 0.030 . 1 . . . . 60 LYS HD2 . 11128 1 685 . 1 1 60 60 LYS HD3 H 1 1.625 0.030 . 1 . . . . 60 LYS HD3 . 11128 1 686 . 1 1 60 60 LYS HE2 H 1 3.001 0.030 . 1 . . . . 60 LYS HE2 . 11128 1 687 . 1 1 60 60 LYS HE3 H 1 3.001 0.030 . 1 . . . . 60 LYS HE3 . 11128 1 688 . 1 1 60 60 LYS HG2 H 1 1.356 0.030 . 2 . . . . 60 LYS HG2 . 11128 1 689 . 1 1 60 60 LYS HG3 H 1 1.244 0.030 . 2 . . . . 60 LYS HG3 . 11128 1 690 . 1 1 60 60 LYS C C 13 171.678 0.300 . 1 . . . . 60 LYS C . 11128 1 691 . 1 1 60 60 LYS CA C 13 53.281 0.300 . 1 . . . . 60 LYS CA . 11128 1 692 . 1 1 60 60 LYS CB C 13 31.345 0.300 . 1 . . . . 60 LYS CB . 11128 1 693 . 1 1 60 60 LYS CD C 13 26.671 0.300 . 1 . . . . 60 LYS CD . 11128 1 694 . 1 1 60 60 LYS CE C 13 40.109 0.300 . 1 . . . . 60 LYS CE . 11128 1 695 . 1 1 60 60 LYS CG C 13 23.527 0.300 . 1 . . . . 60 LYS CG . 11128 1 696 . 1 1 60 60 LYS N N 15 123.674 0.300 . 1 . . . . 60 LYS N . 11128 1 697 . 1 1 61 61 LYS H H 1 7.751 0.030 . 1 . . . . 61 LYS H . 11128 1 698 . 1 1 61 61 LYS HA H 1 5.119 0.030 . 1 . . . . 61 LYS HA . 11128 1 699 . 1 1 61 61 LYS HB2 H 1 1.117 0.030 . 2 . . . . 61 LYS HB2 . 11128 1 700 . 1 1 61 61 LYS HB3 H 1 0.907 0.030 . 2 . . . . 61 LYS HB3 . 11128 1 701 . 1 1 61 61 LYS HD2 H 1 0.612 0.030 . 2 . . . . 61 LYS HD2 . 11128 1 702 . 1 1 61 61 LYS HD3 H 1 0.789 0.030 . 2 . . . . 61 LYS HD3 . 11128 1 703 . 1 1 61 61 LYS HE2 H 1 1.889 0.030 . 2 . . . . 61 LYS HE2 . 11128 1 704 . 1 1 61 61 LYS HE3 H 1 2.019 0.030 . 2 . . . . 61 LYS HE3 . 11128 1 705 . 1 1 61 61 LYS HG2 H 1 0.170 0.030 . 2 . . . . 61 LYS HG2 . 11128 1 706 . 1 1 61 61 LYS HG3 H 1 0.363 0.030 . 2 . . . . 61 LYS HG3 . 11128 1 707 . 1 1 61 61 LYS C C 13 172.948 0.300 . 1 . . . . 61 LYS C . 11128 1 708 . 1 1 61 61 LYS CA C 13 52.053 0.300 . 1 . . . . 61 LYS CA . 11128 1 709 . 1 1 61 61 LYS CB C 13 33.855 0.300 . 1 . . . . 61 LYS CB . 11128 1 710 . 1 1 61 61 LYS CD C 13 27.425 0.300 . 1 . . . . 61 LYS CD . 11128 1 711 . 1 1 61 61 LYS CE C 13 38.888 0.300 . 1 . . . . 61 LYS CE . 11128 1 712 . 1 1 61 61 LYS CG C 13 21.280 0.300 . 1 . . . . 61 LYS CG . 11128 1 713 . 1 1 61 61 LYS N N 15 118.629 0.300 . 1 . . . . 61 LYS N . 11128 1 714 . 1 1 62 62 ASP H H 1 9.244 0.030 . 1 . . . . 62 ASP H . 11128 1 715 . 1 1 62 62 ASP HA H 1 5.007 0.030 . 1 . . . . 62 ASP HA . 11128 1 716 . 1 1 62 62 ASP HB2 H 1 2.525 0.030 . 2 . . . . 62 ASP HB2 . 11128 1 717 . 1 1 62 62 ASP HB3 H 1 2.348 0.030 . 2 . . . . 62 ASP HB3 . 11128 1 718 . 1 1 62 62 ASP C C 13 172.478 0.300 . 1 . . . . 62 ASP C . 11128 1 719 . 1 1 62 62 ASP CA C 13 50.094 0.300 . 1 . . . . 62 ASP CA . 11128 1 720 . 1 1 62 62 ASP CB C 13 40.643 0.300 . 1 . . . . 62 ASP CB . 11128 1 721 . 1 1 62 62 ASP N N 15 126.511 0.300 . 1 . . . . 62 ASP N . 11128 1 722 . 1 1 63 63 MET H H 1 8.626 0.030 . 1 . . . . 63 MET H . 11128 1 723 . 1 1 63 63 MET HA H 1 5.208 0.030 . 1 . . . . 63 MET HA . 11128 1 724 . 1 1 63 63 MET HB2 H 1 1.911 0.030 . 2 . . . . 63 MET HB2 . 11128 1 725 . 1 1 63 63 MET HB3 H 1 2.015 0.030 . 2 . . . . 63 MET HB3 . 11128 1 726 . 1 1 63 63 MET HE1 H 1 1.979 0.030 . 1 . . . . 63 MET HE . 11128 1 727 . 1 1 63 63 MET HE2 H 1 1.979 0.030 . 1 . . . . 63 MET HE . 11128 1 728 . 1 1 63 63 MET HE3 H 1 1.979 0.030 . 1 . . . . 63 MET HE . 11128 1 729 . 1 1 63 63 MET HG2 H 1 2.298 0.030 . 2 . . . . 63 MET HG2 . 11128 1 730 . 1 1 63 63 MET HG3 H 1 2.515 0.030 . 2 . . . . 63 MET HG3 . 11128 1 731 . 1 1 63 63 MET C C 13 172.541 0.300 . 1 . . . . 63 MET C . 11128 1 732 . 1 1 63 63 MET CA C 13 52.841 0.300 . 1 . . . . 63 MET CA . 11128 1 733 . 1 1 63 63 MET CB C 13 32.492 0.300 . 1 . . . . 63 MET CB . 11128 1 734 . 1 1 63 63 MET CE C 13 15.066 0.300 . 1 . . . . 63 MET CE . 11128 1 735 . 1 1 63 63 MET CG C 13 29.968 0.300 . 1 . . . . 63 MET CG . 11128 1 736 . 1 1 63 63 MET N N 15 122.108 0.300 . 1 . . . . 63 MET N . 11128 1 737 . 1 1 64 64 VAL H H 1 8.827 0.030 . 1 . . . . 64 VAL H . 11128 1 738 . 1 1 64 64 VAL HA H 1 4.242 0.030 . 1 . . . . 64 VAL HA . 11128 1 739 . 1 1 64 64 VAL HB H 1 1.789 0.030 . 1 . . . . 64 VAL HB . 11128 1 740 . 1 1 64 64 VAL HG11 H 1 0.885 0.030 . 1 . . . . 64 VAL HG1 . 11128 1 741 . 1 1 64 64 VAL HG12 H 1 0.885 0.030 . 1 . . . . 64 VAL HG1 . 11128 1 742 . 1 1 64 64 VAL HG13 H 1 0.885 0.030 . 1 . . . . 64 VAL HG1 . 11128 1 743 . 1 1 64 64 VAL HG21 H 1 0.480 0.030 . 1 . . . . 64 VAL HG2 . 11128 1 744 . 1 1 64 64 VAL HG22 H 1 0.480 0.030 . 1 . . . . 64 VAL HG2 . 11128 1 745 . 1 1 64 64 VAL HG23 H 1 0.480 0.030 . 1 . . . . 64 VAL HG2 . 11128 1 746 . 1 1 64 64 VAL C C 13 172.069 0.300 . 1 . . . . 64 VAL C . 11128 1 747 . 1 1 64 64 VAL CA C 13 58.246 0.300 . 1 . . . . 64 VAL CA . 11128 1 748 . 1 1 64 64 VAL CB C 13 33.369 0.300 . 1 . . . . 64 VAL CB . 11128 1 749 . 1 1 64 64 VAL CG1 C 13 18.992 0.300 . 2 . . . . 64 VAL CG1 . 11128 1 750 . 1 1 64 64 VAL CG2 C 13 18.802 0.300 . 2 . . . . 64 VAL CG2 . 11128 1 751 . 1 1 64 64 VAL N N 15 124.135 0.300 . 1 . . . . 64 VAL N . 11128 1 752 . 1 1 65 65 GLU H H 1 8.985 0.030 . 1 . . . . 65 GLU H . 11128 1 753 . 1 1 65 65 GLU HA H 1 4.201 0.030 . 1 . . . . 65 GLU HA . 11128 1 754 . 1 1 65 65 GLU HB2 H 1 2.147 0.030 . 2 . . . . 65 GLU HB2 . 11128 1 755 . 1 1 65 65 GLU HB3 H 1 1.976 0.030 . 2 . . . . 65 GLU HB3 . 11128 1 756 . 1 1 65 65 GLU HG2 H 1 2.344 0.030 . 1 . . . . 65 GLU HG2 . 11128 1 757 . 1 1 65 65 GLU HG3 H 1 2.344 0.030 . 1 . . . . 65 GLU HG3 . 11128 1 758 . 1 1 65 65 GLU C C 13 174.153 0.300 . 1 . . . . 65 GLU C . 11128 1 759 . 1 1 65 65 GLU CA C 13 55.362 0.300 . 1 . . . . 65 GLU CA . 11128 1 760 . 1 1 65 65 GLU CB C 13 28.068 0.300 . 1 . . . . 65 GLU CB . 11128 1 761 . 1 1 65 65 GLU CG C 13 34.569 0.300 . 1 . . . . 65 GLU CG . 11128 1 762 . 1 1 65 65 GLU N N 15 124.166 0.300 . 1 . . . . 65 GLU N . 11128 1 763 . 1 1 66 66 GLY H H 1 7.646 0.030 . 1 . . . . 66 GLY H . 11128 1 764 . 1 1 66 66 GLY HA2 H 1 3.405 0.030 . 2 . . . . 66 GLY HA2 . 11128 1 765 . 1 1 66 66 GLY HA3 H 1 3.294 0.030 . 2 . . . . 66 GLY HA3 . 11128 1 766 . 1 1 66 66 GLY C C 13 170.062 0.300 . 1 . . . . 66 GLY C . 11128 1 767 . 1 1 66 66 GLY CA C 13 43.939 0.300 . 1 . . . . 66 GLY CA . 11128 1 768 . 1 1 66 66 GLY N N 15 103.990 0.300 . 1 . . . . 66 GLY N . 11128 1 769 . 1 1 67 67 ASP H H 1 7.913 0.030 . 1 . . . . 67 ASP H . 11128 1 770 . 1 1 67 67 ASP HA H 1 4.663 0.030 . 1 . . . . 67 ASP HA . 11128 1 771 . 1 1 67 67 ASP HB2 H 1 2.826 0.030 . 2 . . . . 67 ASP HB2 . 11128 1 772 . 1 1 67 67 ASP HB3 H 1 2.534 0.030 . 2 . . . . 67 ASP HB3 . 11128 1 773 . 1 1 67 67 ASP C C 13 172.933 0.300 . 1 . . . . 67 ASP C . 11128 1 774 . 1 1 67 67 ASP CA C 13 50.343 0.300 . 1 . . . . 67 ASP CA . 11128 1 775 . 1 1 67 67 ASP CB C 13 37.766 0.300 . 1 . . . . 67 ASP CB . 11128 1 776 . 1 1 67 67 ASP N N 15 115.584 0.300 . 1 . . . . 67 ASP N . 11128 1 777 . 1 1 68 68 ARG H H 1 7.385 0.030 . 1 . . . . 68 ARG H . 11128 1 778 . 1 1 68 68 ARG HA H 1 4.184 0.030 . 1 . . . . 68 ARG HA . 11128 1 779 . 1 1 68 68 ARG HB2 H 1 1.586 0.030 . 2 . . . . 68 ARG HB2 . 11128 1 780 . 1 1 68 68 ARG HB3 H 1 1.512 0.030 . 2 . . . . 68 ARG HB3 . 11128 1 781 . 1 1 68 68 ARG HD2 H 1 2.640 0.030 . 2 . . . . 68 ARG HD2 . 11128 1 782 . 1 1 68 68 ARG HD3 H 1 2.836 0.030 . 2 . . . . 68 ARG HD3 . 11128 1 783 . 1 1 68 68 ARG HE H 1 7.058 0.030 . 1 . . . . 68 ARG HE . 11128 1 784 . 1 1 68 68 ARG HG2 H 1 1.407 0.030 . 2 . . . . 68 ARG HG2 . 11128 1 785 . 1 1 68 68 ARG HG3 H 1 1.248 0.030 . 2 . . . . 68 ARG HG3 . 11128 1 786 . 1 1 68 68 ARG C C 13 171.380 0.300 . 1 . . . . 68 ARG C . 11128 1 787 . 1 1 68 68 ARG CA C 13 52.604 0.300 . 1 . . . . 68 ARG CA . 11128 1 788 . 1 1 68 68 ARG CB C 13 30.041 0.300 . 1 . . . . 68 ARG CB . 11128 1 789 . 1 1 68 68 ARG CD C 13 40.767 0.300 . 1 . . . . 68 ARG CD . 11128 1 790 . 1 1 68 68 ARG CG C 13 25.181 0.300 . 1 . . . . 68 ARG CG . 11128 1 791 . 1 1 68 68 ARG N N 15 120.838 0.300 . 1 . . . . 68 ARG N . 11128 1 792 . 1 1 68 68 ARG NE N 15 84.125 0.300 . 1 . . . . 68 ARG NE . 11128 1 793 . 1 1 69 69 TYR H H 1 7.274 0.030 . 1 . . . . 69 TYR H . 11128 1 794 . 1 1 69 69 TYR HA H 1 3.095 0.030 . 1 . . . . 69 TYR HA . 11128 1 795 . 1 1 69 69 TYR HB2 H 1 2.928 0.030 . 2 . . . . 69 TYR HB2 . 11128 1 796 . 1 1 69 69 TYR HB3 H 1 2.275 0.030 . 2 . . . . 69 TYR HB3 . 11128 1 797 . 1 1 69 69 TYR HD1 H 1 6.807 0.030 . 1 . . . . 69 TYR HD1 . 11128 1 798 . 1 1 69 69 TYR HD2 H 1 6.807 0.030 . 1 . . . . 69 TYR HD2 . 11128 1 799 . 1 1 69 69 TYR HE1 H 1 6.833 0.030 . 1 . . . . 69 TYR HE1 . 11128 1 800 . 1 1 69 69 TYR HE2 H 1 6.833 0.030 . 1 . . . . 69 TYR HE2 . 11128 1 801 . 1 1 69 69 TYR C C 13 170.803 0.300 . 1 . . . . 69 TYR C . 11128 1 802 . 1 1 69 69 TYR CA C 13 53.770 0.300 . 1 . . . . 69 TYR CA . 11128 1 803 . 1 1 69 69 TYR CB C 13 35.138 0.300 . 1 . . . . 69 TYR CB . 11128 1 804 . 1 1 69 69 TYR CD1 C 13 130.851 0.300 . 1 . . . . 69 TYR CD1 . 11128 1 805 . 1 1 69 69 TYR CD2 C 13 130.851 0.300 . 1 . . . . 69 TYR CD2 . 11128 1 806 . 1 1 69 69 TYR CE1 C 13 115.684 0.300 . 1 . . . . 69 TYR CE1 . 11128 1 807 . 1 1 69 69 TYR CE2 C 13 115.684 0.300 . 1 . . . . 69 TYR CE2 . 11128 1 808 . 1 1 69 69 TYR N N 15 116.545 0.300 . 1 . . . . 69 TYR N . 11128 1 809 . 1 1 70 70 TRP H H 1 6.367 0.030 . 1 . . . . 70 TRP H . 11128 1 810 . 1 1 70 70 TRP HA H 1 4.893 0.030 . 1 . . . . 70 TRP HA . 11128 1 811 . 1 1 70 70 TRP HB2 H 1 3.205 0.030 . 2 . . . . 70 TRP HB2 . 11128 1 812 . 1 1 70 70 TRP HB3 H 1 2.865 0.030 . 2 . . . . 70 TRP HB3 . 11128 1 813 . 1 1 70 70 TRP HD1 H 1 6.823 0.030 . 1 . . . . 70 TRP HD1 . 11128 1 814 . 1 1 70 70 TRP HE1 H 1 10.068 0.030 . 1 . . . . 70 TRP HE1 . 11128 1 815 . 1 1 70 70 TRP HE3 H 1 7.168 0.030 . 1 . . . . 70 TRP HE3 . 11128 1 816 . 1 1 70 70 TRP HH2 H 1 7.096 0.030 . 1 . . . . 70 TRP HH2 . 11128 1 817 . 1 1 70 70 TRP HZ2 H 1 7.366 0.030 . 1 . . . . 70 TRP HZ2 . 11128 1 818 . 1 1 70 70 TRP HZ3 H 1 6.985 0.030 . 1 . . . . 70 TRP HZ3 . 11128 1 819 . 1 1 70 70 TRP C C 13 171.748 0.300 . 1 . . . . 70 TRP C . 11128 1 820 . 1 1 70 70 TRP CA C 13 53.136 0.300 . 1 . . . . 70 TRP CA . 11128 1 821 . 1 1 70 70 TRP CB C 13 29.419 0.300 . 1 . . . . 70 TRP CB . 11128 1 822 . 1 1 70 70 TRP CD1 C 13 124.883 0.300 . 1 . . . . 70 TRP CD1 . 11128 1 823 . 1 1 70 70 TRP CE3 C 13 118.195 0.300 . 1 . . . . 70 TRP CE3 . 11128 1 824 . 1 1 70 70 TRP CH2 C 13 122.165 0.300 . 1 . . . . 70 TRP CH2 . 11128 1 825 . 1 1 70 70 TRP CZ2 C 13 112.429 0.300 . 1 . . . . 70 TRP CZ2 . 11128 1 826 . 1 1 70 70 TRP CZ3 C 13 119.516 0.300 . 1 . . . . 70 TRP CZ3 . 11128 1 827 . 1 1 70 70 TRP N N 15 115.889 0.300 . 1 . . . . 70 TRP N . 11128 1 828 . 1 1 70 70 TRP NE1 N 15 129.410 0.300 . 1 . . . . 70 TRP NE1 . 11128 1 829 . 1 1 71 71 HIS H H 1 8.943 0.030 . 1 . . . . 71 HIS H . 11128 1 830 . 1 1 71 71 HIS HA H 1 4.493 0.030 . 1 . . . . 71 HIS HA . 11128 1 831 . 1 1 71 71 HIS HB2 H 1 3.424 0.030 . 2 . . . . 71 HIS HB2 . 11128 1 832 . 1 1 71 71 HIS HB3 H 1 2.662 0.030 . 2 . . . . 71 HIS HB3 . 11128 1 833 . 1 1 71 71 HIS HD2 H 1 6.292 0.030 . 1 . . . . 71 HIS HD2 . 11128 1 834 . 1 1 71 71 HIS HE1 H 1 7.723 0.030 . 1 . . . . 71 HIS HE1 . 11128 1 835 . 1 1 71 71 HIS C C 13 170.096 0.300 . 1 . . . . 71 HIS C . 11128 1 836 . 1 1 71 71 HIS CA C 13 54.047 0.300 . 1 . . . . 71 HIS CA . 11128 1 837 . 1 1 71 71 HIS CB C 13 32.618 0.300 . 1 . . . . 71 HIS CB . 11128 1 838 . 1 1 71 71 HIS CD2 C 13 114.658 0.300 . 1 . . . . 71 HIS CD2 . 11128 1 839 . 1 1 71 71 HIS CE1 C 13 137.828 0.300 . 1 . . . . 71 HIS CE1 . 11128 1 840 . 1 1 71 71 HIS N N 15 117.724 0.300 . 1 . . . . 71 HIS N . 11128 1 841 . 1 1 72 72 SER H H 1 6.866 0.030 . 1 . . . . 72 SER H . 11128 1 842 . 1 1 72 72 SER HA H 1 5.130 0.030 . 1 . . . . 72 SER HA . 11128 1 843 . 1 1 72 72 SER HB2 H 1 3.390 0.030 . 2 . . . . 72 SER HB2 . 11128 1 844 . 1 1 72 72 SER HB3 H 1 3.281 0.030 . 2 . . . . 72 SER HB3 . 11128 1 845 . 1 1 72 72 SER C C 13 170.089 0.300 . 1 . . . . 72 SER C . 11128 1 846 . 1 1 72 72 SER CA C 13 54.162 0.300 . 1 . . . . 72 SER CA . 11128 1 847 . 1 1 72 72 SER CB C 13 61.742 0.300 . 1 . . . . 72 SER CB . 11128 1 848 . 1 1 72 72 SER N N 15 120.021 0.300 . 1 . . . . 72 SER N . 11128 1 849 . 1 1 73 73 ILE H H 1 8.968 0.030 . 1 . . . . 73 ILE H . 11128 1 850 . 1 1 73 73 ILE HA H 1 3.655 0.030 . 1 . . . . 73 ILE HA . 11128 1 851 . 1 1 73 73 ILE HB H 1 1.065 0.030 . 1 . . . . 73 ILE HB . 11128 1 852 . 1 1 73 73 ILE HD11 H 1 0.210 0.030 . 1 . . . . 73 ILE HD1 . 11128 1 853 . 1 1 73 73 ILE HD12 H 1 0.210 0.030 . 1 . . . . 73 ILE HD1 . 11128 1 854 . 1 1 73 73 ILE HD13 H 1 0.210 0.030 . 1 . . . . 73 ILE HD1 . 11128 1 855 . 1 1 73 73 ILE HG12 H 1 0.448 0.030 . 2 . . . . 73 ILE HG12 . 11128 1 856 . 1 1 73 73 ILE HG13 H 1 1.294 0.030 . 2 . . . . 73 ILE HG13 . 11128 1 857 . 1 1 73 73 ILE HG21 H 1 -0.049 0.030 . 1 . . . . 73 ILE HG2 . 11128 1 858 . 1 1 73 73 ILE HG22 H 1 -0.049 0.030 . 1 . . . . 73 ILE HG2 . 11128 1 859 . 1 1 73 73 ILE HG23 H 1 -0.049 0.030 . 1 . . . . 73 ILE HG2 . 11128 1 860 . 1 1 73 73 ILE C C 13 172.291 0.300 . 1 . . . . 73 ILE C . 11128 1 861 . 1 1 73 73 ILE CA C 13 58.453 0.300 . 1 . . . . 73 ILE CA . 11128 1 862 . 1 1 73 73 ILE CB C 13 36.968 0.300 . 1 . . . . 73 ILE CB . 11128 1 863 . 1 1 73 73 ILE CD1 C 13 11.779 0.300 . 1 . . . . 73 ILE CD1 . 11128 1 864 . 1 1 73 73 ILE CG1 C 13 24.417 0.300 . 1 . . . . 73 ILE CG1 . 11128 1 865 . 1 1 73 73 ILE CG2 C 13 15.334 0.300 . 1 . . . . 73 ILE CG2 . 11128 1 866 . 1 1 73 73 ILE N N 15 125.415 0.300 . 1 . . . . 73 ILE N . 11128 1 867 . 1 1 74 74 SER H H 1 8.173 0.030 . 1 . . . . 74 SER H . 11128 1 868 . 1 1 74 74 SER HA H 1 5.041 0.030 . 1 . . . . 74 SER HA . 11128 1 869 . 1 1 74 74 SER HB2 H 1 3.451 0.030 . 2 . . . . 74 SER HB2 . 11128 1 870 . 1 1 74 74 SER HB3 H 1 3.244 0.030 . 2 . . . . 74 SER HB3 . 11128 1 871 . 1 1 74 74 SER C C 13 170.884 0.300 . 1 . . . . 74 SER C . 11128 1 872 . 1 1 74 74 SER CA C 13 54.625 0.300 . 1 . . . . 74 SER CA . 11128 1 873 . 1 1 74 74 SER CB C 13 63.459 0.300 . 1 . . . . 74 SER CB . 11128 1 874 . 1 1 74 74 SER N N 15 119.688 0.300 . 1 . . . . 74 SER N . 11128 1 875 . 1 1 75 75 HIS H H 1 8.510 0.030 . 1 . . . . 75 HIS H . 11128 1 876 . 1 1 75 75 HIS HA H 1 4.079 0.030 . 1 . . . . 75 HIS HA . 11128 1 877 . 1 1 75 75 HIS HB2 H 1 3.262 0.030 . 1 . . . . 75 HIS HB2 . 11128 1 878 . 1 1 75 75 HIS HB3 H 1 3.262 0.030 . 1 . . . . 75 HIS HB3 . 11128 1 879 . 1 1 75 75 HIS HD2 H 1 7.005 0.030 . 1 . . . . 75 HIS HD2 . 11128 1 880 . 1 1 75 75 HIS HE1 H 1 7.965 0.030 . 1 . . . . 75 HIS HE1 . 11128 1 881 . 1 1 75 75 HIS C C 13 172.863 0.300 . 1 . . . . 75 HIS C . 11128 1 882 . 1 1 75 75 HIS CA C 13 54.905 0.300 . 1 . . . . 75 HIS CA . 11128 1 883 . 1 1 75 75 HIS CB C 13 24.352 0.300 . 1 . . . . 75 HIS CB . 11128 1 884 . 1 1 75 75 HIS CD2 C 13 117.750 0.300 . 1 . . . . 75 HIS CD2 . 11128 1 885 . 1 1 75 75 HIS CE1 C 13 135.327 0.300 . 1 . . . . 75 HIS CE1 . 11128 1 886 . 1 1 75 75 HIS N N 15 111.614 0.300 . 1 . . . . 75 HIS N . 11128 1 887 . 1 1 76 76 LEU H H 1 8.673 0.030 . 1 . . . . 76 LEU H . 11128 1 888 . 1 1 76 76 LEU HA H 1 4.316 0.030 . 1 . . . . 76 LEU HA . 11128 1 889 . 1 1 76 76 LEU HB2 H 1 1.201 0.030 . 2 . . . . 76 LEU HB2 . 11128 1 890 . 1 1 76 76 LEU HB3 H 1 0.989 0.030 . 2 . . . . 76 LEU HB3 . 11128 1 891 . 1 1 76 76 LEU HD11 H 1 -0.238 0.030 . 1 . . . . 76 LEU HD1 . 11128 1 892 . 1 1 76 76 LEU HD12 H 1 -0.238 0.030 . 1 . . . . 76 LEU HD1 . 11128 1 893 . 1 1 76 76 LEU HD13 H 1 -0.238 0.030 . 1 . . . . 76 LEU HD1 . 11128 1 894 . 1 1 76 76 LEU HD21 H 1 0.040 0.030 . 1 . . . . 76 LEU HD2 . 11128 1 895 . 1 1 76 76 LEU HD22 H 1 0.040 0.030 . 1 . . . . 76 LEU HD2 . 11128 1 896 . 1 1 76 76 LEU HD23 H 1 0.040 0.030 . 1 . . . . 76 LEU HD2 . 11128 1 897 . 1 1 76 76 LEU HG H 1 0.947 0.030 . 1 . . . . 76 LEU HG . 11128 1 898 . 1 1 76 76 LEU C C 13 173.493 0.300 . 1 . . . . 76 LEU C . 11128 1 899 . 1 1 76 76 LEU CA C 13 51.116 0.300 . 1 . . . . 76 LEU CA . 11128 1 900 . 1 1 76 76 LEU CB C 13 38.913 0.300 . 1 . . . . 76 LEU CB . 11128 1 901 . 1 1 76 76 LEU CD1 C 13 22.707 0.300 . 2 . . . . 76 LEU CD1 . 11128 1 902 . 1 1 76 76 LEU CD2 C 13 17.814 0.300 . 2 . . . . 76 LEU CD2 . 11128 1 903 . 1 1 76 76 LEU CG C 13 23.410 0.300 . 1 . . . . 76 LEU CG . 11128 1 904 . 1 1 76 76 LEU N N 15 118.363 0.300 . 1 . . . . 76 LEU N . 11128 1 905 . 1 1 77 77 GLN H H 1 8.168 0.030 . 1 . . . . 77 GLN H . 11128 1 906 . 1 1 77 77 GLN HA H 1 4.653 0.030 . 1 . . . . 77 GLN HA . 11128 1 907 . 1 1 77 77 GLN HB2 H 1 2.009 0.030 . 2 . . . . 77 GLN HB2 . 11128 1 908 . 1 1 77 77 GLN HB3 H 1 1.942 0.030 . 2 . . . . 77 GLN HB3 . 11128 1 909 . 1 1 77 77 GLN HE21 H 1 6.814 0.030 . 2 . . . . 77 GLN HE21 . 11128 1 910 . 1 1 77 77 GLN HE22 H 1 7.592 0.030 . 2 . . . . 77 GLN HE22 . 11128 1 911 . 1 1 77 77 GLN HG2 H 1 2.405 0.030 . 1 . . . . 77 GLN HG2 . 11128 1 912 . 1 1 77 77 GLN HG3 H 1 2.405 0.030 . 1 . . . . 77 GLN HG3 . 11128 1 913 . 1 1 77 77 GLN C C 13 172.083 0.300 . 1 . . . . 77 GLN C . 11128 1 914 . 1 1 77 77 GLN CA C 13 50.501 0.300 . 1 . . . . 77 GLN CA . 11128 1 915 . 1 1 77 77 GLN CB C 13 27.825 0.300 . 1 . . . . 77 GLN CB . 11128 1 916 . 1 1 77 77 GLN CG C 13 31.298 0.300 . 1 . . . . 77 GLN CG . 11128 1 917 . 1 1 77 77 GLN N N 15 117.675 0.300 . 1 . . . . 77 GLN N . 11128 1 918 . 1 1 77 77 GLN NE2 N 15 112.809 0.300 . 1 . . . . 77 GLN NE2 . 11128 1 919 . 1 1 78 78 PRO HA H 1 5.278 0.030 . 1 . . . . 78 PRO HA . 11128 1 920 . 1 1 78 78 PRO HB2 H 1 2.279 0.030 . 2 . . . . 78 PRO HB2 . 11128 1 921 . 1 1 78 78 PRO HB3 H 1 1.788 0.030 . 2 . . . . 78 PRO HB3 . 11128 1 922 . 1 1 78 78 PRO HD2 H 1 3.493 0.030 . 2 . . . . 78 PRO HD2 . 11128 1 923 . 1 1 78 78 PRO HD3 H 1 3.816 0.030 . 2 . . . . 78 PRO HD3 . 11128 1 924 . 1 1 78 78 PRO HG2 H 1 1.913 0.030 . 2 . . . . 78 PRO HG2 . 11128 1 925 . 1 1 78 78 PRO HG3 H 1 1.713 0.030 . 2 . . . . 78 PRO HG3 . 11128 1 926 . 1 1 78 78 PRO C C 13 175.103 0.300 . 1 . . . . 78 PRO C . 11128 1 927 . 1 1 78 78 PRO CA C 13 60.601 0.300 . 1 . . . . 78 PRO CA . 11128 1 928 . 1 1 78 78 PRO CB C 13 31.281 0.300 . 1 . . . . 78 PRO CB . 11128 1 929 . 1 1 78 78 PRO CD C 13 48.747 0.300 . 1 . . . . 78 PRO CD . 11128 1 930 . 1 1 78 78 PRO CG C 13 25.105 0.300 . 1 . . . . 78 PRO CG . 11128 1 931 . 1 1 79 79 GLU H H 1 7.840 0.030 . 1 . . . . 79 GLU H . 11128 1 932 . 1 1 79 79 GLU HA H 1 3.632 0.030 . 1 . . . . 79 GLU HA . 11128 1 933 . 1 1 79 79 GLU HB2 H 1 2.098 0.030 . 2 . . . . 79 GLU HB2 . 11128 1 934 . 1 1 79 79 GLU HB3 H 1 1.747 0.030 . 2 . . . . 79 GLU HB3 . 11128 1 935 . 1 1 79 79 GLU HG2 H 1 2.161 0.030 . 2 . . . . 79 GLU HG2 . 11128 1 936 . 1 1 79 79 GLU HG3 H 1 2.121 0.030 . 2 . . . . 79 GLU HG3 . 11128 1 937 . 1 1 79 79 GLU C C 13 172.190 0.300 . 1 . . . . 79 GLU C . 11128 1 938 . 1 1 79 79 GLU CA C 13 53.926 0.300 . 1 . . . . 79 GLU CA . 11128 1 939 . 1 1 79 79 GLU CB C 13 27.478 0.300 . 1 . . . . 79 GLU CB . 11128 1 940 . 1 1 79 79 GLU CG C 13 35.238 0.300 . 1 . . . . 79 GLU CG . 11128 1 941 . 1 1 79 79 GLU N N 15 125.660 0.300 . 1 . . . . 79 GLU N . 11128 1 942 . 1 1 80 80 THR H H 1 8.023 0.030 . 1 . . . . 80 THR H . 11128 1 943 . 1 1 80 80 THR HA H 1 4.405 0.030 . 1 . . . . 80 THR HA . 11128 1 944 . 1 1 80 80 THR HB H 1 3.916 0.030 . 1 . . . . 80 THR HB . 11128 1 945 . 1 1 80 80 THR HG21 H 1 0.637 0.030 . 1 . . . . 80 THR HG2 . 11128 1 946 . 1 1 80 80 THR HG22 H 1 0.637 0.030 . 1 . . . . 80 THR HG2 . 11128 1 947 . 1 1 80 80 THR HG23 H 1 0.637 0.030 . 1 . . . . 80 THR HG2 . 11128 1 948 . 1 1 80 80 THR C C 13 169.743 0.300 . 1 . . . . 80 THR C . 11128 1 949 . 1 1 80 80 THR CA C 13 60.147 0.300 . 1 . . . . 80 THR CA . 11128 1 950 . 1 1 80 80 THR CB C 13 69.681 0.300 . 1 . . . . 80 THR CB . 11128 1 951 . 1 1 80 80 THR CG2 C 13 16.955 0.300 . 1 . . . . 80 THR CG2 . 11128 1 952 . 1 1 80 80 THR N N 15 114.023 0.300 . 1 . . . . 80 THR N . 11128 1 953 . 1 1 81 81 SER H H 1 8.359 0.030 . 1 . . . . 81 SER H . 11128 1 954 . 1 1 81 81 SER HA H 1 4.506 0.030 . 1 . . . . 81 SER HA . 11128 1 955 . 1 1 81 81 SER HB2 H 1 3.531 0.030 . 2 . . . . 81 SER HB2 . 11128 1 956 . 1 1 81 81 SER HB3 H 1 3.614 0.030 . 2 . . . . 81 SER HB3 . 11128 1 957 . 1 1 81 81 SER C C 13 171.885 0.300 . 1 . . . . 81 SER C . 11128 1 958 . 1 1 81 81 SER CA C 13 55.877 0.300 . 1 . . . . 81 SER CA . 11128 1 959 . 1 1 81 81 SER CB C 13 61.334 0.300 . 1 . . . . 81 SER CB . 11128 1 960 . 1 1 81 81 SER N N 15 119.380 0.300 . 1 . . . . 81 SER N . 11128 1 961 . 1 1 82 82 TYR H H 1 9.161 0.030 . 1 . . . . 82 TYR H . 11128 1 962 . 1 1 82 82 TYR HA H 1 4.698 0.030 . 1 . . . . 82 TYR HA . 11128 1 963 . 1 1 82 82 TYR HB2 H 1 2.636 0.030 . 2 . . . . 82 TYR HB2 . 11128 1 964 . 1 1 82 82 TYR HB3 H 1 2.577 0.030 . 2 . . . . 82 TYR HB3 . 11128 1 965 . 1 1 82 82 TYR HE1 H 1 6.771 0.030 . 1 . . . . 82 TYR HE1 . 11128 1 966 . 1 1 82 82 TYR HE2 H 1 6.771 0.030 . 1 . . . . 82 TYR HE2 . 11128 1 967 . 1 1 82 82 TYR C C 13 170.966 0.300 . 1 . . . . 82 TYR C . 11128 1 968 . 1 1 82 82 TYR CA C 13 56.848 0.300 . 1 . . . . 82 TYR CA . 11128 1 969 . 1 1 82 82 TYR CB C 13 38.980 0.300 . 1 . . . . 82 TYR CB . 11128 1 970 . 1 1 82 82 TYR CE1 C 13 116.238 0.300 . 1 . . . . 82 TYR CE1 . 11128 1 971 . 1 1 82 82 TYR CE2 C 13 116.238 0.300 . 1 . . . . 82 TYR CE2 . 11128 1 972 . 1 1 82 82 TYR N N 15 128.631 0.300 . 1 . . . . 82 TYR N . 11128 1 973 . 1 1 83 83 ASP H H 1 8.817 0.030 . 1 . . . . 83 ASP H . 11128 1 974 . 1 1 83 83 ASP HA H 1 5.018 0.030 . 1 . . . . 83 ASP HA . 11128 1 975 . 1 1 83 83 ASP HB2 H 1 2.516 0.030 . 2 . . . . 83 ASP HB2 . 11128 1 976 . 1 1 83 83 ASP HB3 H 1 2.386 0.030 . 2 . . . . 83 ASP HB3 . 11128 1 977 . 1 1 83 83 ASP C C 13 174.118 0.300 . 1 . . . . 83 ASP C . 11128 1 978 . 1 1 83 83 ASP CA C 13 50.713 0.300 . 1 . . . . 83 ASP CA . 11128 1 979 . 1 1 83 83 ASP CB C 13 39.600 0.300 . 1 . . . . 83 ASP CB . 11128 1 980 . 1 1 83 83 ASP N N 15 120.481 0.300 . 1 . . . . 83 ASP N . 11128 1 981 . 1 1 84 84 ILE H H 1 8.960 0.030 . 1 . . . . 84 ILE H . 11128 1 982 . 1 1 84 84 ILE HA H 1 5.280 0.030 . 1 . . . . 84 ILE HA . 11128 1 983 . 1 1 84 84 ILE HB H 1 1.468 0.030 . 1 . . . . 84 ILE HB . 11128 1 984 . 1 1 84 84 ILE HD11 H 1 0.651 0.030 . 1 . . . . 84 ILE HD1 . 11128 1 985 . 1 1 84 84 ILE HD12 H 1 0.651 0.030 . 1 . . . . 84 ILE HD1 . 11128 1 986 . 1 1 84 84 ILE HD13 H 1 0.651 0.030 . 1 . . . . 84 ILE HD1 . 11128 1 987 . 1 1 84 84 ILE HG12 H 1 1.557 0.030 . 2 . . . . 84 ILE HG12 . 11128 1 988 . 1 1 84 84 ILE HG13 H 1 0.823 0.030 . 2 . . . . 84 ILE HG13 . 11128 1 989 . 1 1 84 84 ILE HG21 H 1 0.797 0.030 . 1 . . . . 84 ILE HG2 . 11128 1 990 . 1 1 84 84 ILE HG22 H 1 0.797 0.030 . 1 . . . . 84 ILE HG2 . 11128 1 991 . 1 1 84 84 ILE HG23 H 1 0.797 0.030 . 1 . . . . 84 ILE HG2 . 11128 1 992 . 1 1 84 84 ILE C C 13 171.987 0.300 . 1 . . . . 84 ILE C . 11128 1 993 . 1 1 84 84 ILE CA C 13 57.717 0.300 . 1 . . . . 84 ILE CA . 11128 1 994 . 1 1 84 84 ILE CB C 13 39.970 0.300 . 1 . . . . 84 ILE CB . 11128 1 995 . 1 1 84 84 ILE CD1 C 13 13.181 0.300 . 1 . . . . 84 ILE CD1 . 11128 1 996 . 1 1 84 84 ILE CG1 C 13 25.593 0.300 . 1 . . . . 84 ILE CG1 . 11128 1 997 . 1 1 84 84 ILE CG2 C 13 16.501 0.300 . 1 . . . . 84 ILE CG2 . 11128 1 998 . 1 1 84 84 ILE N N 15 121.720 0.300 . 1 . . . . 84 ILE N . 11128 1 999 . 1 1 85 85 LYS H H 1 8.918 0.030 . 1 . . . . 85 LYS H . 11128 1 1000 . 1 1 85 85 LYS HA H 1 4.736 0.030 . 1 . . . . 85 LYS HA . 11128 1 1001 . 1 1 85 85 LYS HB2 H 1 1.560 0.030 . 2 . . . . 85 LYS HB2 . 11128 1 1002 . 1 1 85 85 LYS HB3 H 1 1.779 0.030 . 2 . . . . 85 LYS HB3 . 11128 1 1003 . 1 1 85 85 LYS HD2 H 1 1.005 0.030 . 2 . . . . 85 LYS HD2 . 11128 1 1004 . 1 1 85 85 LYS HD3 H 1 0.558 0.030 . 2 . . . . 85 LYS HD3 . 11128 1 1005 . 1 1 85 85 LYS HE2 H 1 1.311 0.030 . 2 . . . . 85 LYS HE2 . 11128 1 1006 . 1 1 85 85 LYS HE3 H 1 0.668 0.030 . 2 . . . . 85 LYS HE3 . 11128 1 1007 . 1 1 85 85 LYS HG2 H 1 0.514 0.030 . 2 . . . . 85 LYS HG2 . 11128 1 1008 . 1 1 85 85 LYS HG3 H 1 0.920 0.030 . 2 . . . . 85 LYS HG3 . 11128 1 1009 . 1 1 85 85 LYS C C 13 171.531 0.300 . 1 . . . . 85 LYS C . 11128 1 1010 . 1 1 85 85 LYS CA C 13 52.853 0.300 . 1 . . . . 85 LYS CA . 11128 1 1011 . 1 1 85 85 LYS CB C 13 34.049 0.300 . 1 . . . . 85 LYS CB . 11128 1 1012 . 1 1 85 85 LYS CD C 13 27.674 0.300 . 1 . . . . 85 LYS CD . 11128 1 1013 . 1 1 85 85 LYS CE C 13 38.488 0.300 . 1 . . . . 85 LYS CE . 11128 1 1014 . 1 1 85 85 LYS CG C 13 20.725 0.300 . 1 . . . . 85 LYS CG . 11128 1 1015 . 1 1 85 85 LYS N N 15 119.574 0.300 . 1 . . . . 85 LYS N . 11128 1 1016 . 1 1 86 86 MET H H 1 9.280 0.030 . 1 . . . . 86 MET H . 11128 1 1017 . 1 1 86 86 MET HA H 1 5.846 0.030 . 1 . . . . 86 MET HA . 11128 1 1018 . 1 1 86 86 MET HB2 H 1 1.973 0.030 . 2 . . . . 86 MET HB2 . 11128 1 1019 . 1 1 86 86 MET HB3 H 1 1.680 0.030 . 2 . . . . 86 MET HB3 . 11128 1 1020 . 1 1 86 86 MET HE1 H 1 -0.325 0.030 . 1 . . . . 86 MET HE . 11128 1 1021 . 1 1 86 86 MET HE2 H 1 -0.325 0.030 . 1 . . . . 86 MET HE . 11128 1 1022 . 1 1 86 86 MET HE3 H 1 -0.325 0.030 . 1 . . . . 86 MET HE . 11128 1 1023 . 1 1 86 86 MET HG2 H 1 2.209 0.030 . 2 . . . . 86 MET HG2 . 11128 1 1024 . 1 1 86 86 MET HG3 H 1 1.730 0.030 . 2 . . . . 86 MET HG3 . 11128 1 1025 . 1 1 86 86 MET C C 13 172.169 0.300 . 1 . . . . 86 MET C . 11128 1 1026 . 1 1 86 86 MET CA C 13 53.225 0.300 . 1 . . . . 86 MET CA . 11128 1 1027 . 1 1 86 86 MET CB C 13 37.024 0.300 . 1 . . . . 86 MET CB . 11128 1 1028 . 1 1 86 86 MET CE C 13 11.949 0.300 . 1 . . . . 86 MET CE . 11128 1 1029 . 1 1 86 86 MET CG C 13 27.777 0.300 . 1 . . . . 86 MET CG . 11128 1 1030 . 1 1 86 86 MET N N 15 115.729 0.300 . 1 . . . . 86 MET N . 11128 1 1031 . 1 1 87 87 GLN H H 1 8.976 0.030 . 1 . . . . 87 GLN H . 11128 1 1032 . 1 1 87 87 GLN HA H 1 4.506 0.030 . 1 . . . . 87 GLN HA . 11128 1 1033 . 1 1 87 87 GLN HB2 H 1 1.932 0.030 . 1 . . . . 87 GLN HB2 . 11128 1 1034 . 1 1 87 87 GLN HB3 H 1 1.932 0.030 . 1 . . . . 87 GLN HB3 . 11128 1 1035 . 1 1 87 87 GLN HE21 H 1 6.612 0.030 . 2 . . . . 87 GLN HE21 . 11128 1 1036 . 1 1 87 87 GLN HE22 H 1 6.374 0.030 . 2 . . . . 87 GLN HE22 . 11128 1 1037 . 1 1 87 87 GLN HG2 H 1 1.864 0.030 . 1 . . . . 87 GLN HG2 . 11128 1 1038 . 1 1 87 87 GLN HG3 H 1 1.864 0.030 . 1 . . . . 87 GLN HG3 . 11128 1 1039 . 1 1 87 87 GLN C C 13 173.168 0.300 . 1 . . . . 87 GLN C . 11128 1 1040 . 1 1 87 87 GLN CA C 13 52.447 0.300 . 1 . . . . 87 GLN CA . 11128 1 1041 . 1 1 87 87 GLN CB C 13 32.567 0.300 . 1 . . . . 87 GLN CB . 11128 1 1042 . 1 1 87 87 GLN CG C 13 32.040 0.300 . 1 . . . . 87 GLN CG . 11128 1 1043 . 1 1 87 87 GLN N N 15 115.024 0.300 . 1 . . . . 87 GLN N . 11128 1 1044 . 1 1 87 87 GLN NE2 N 15 113.206 0.300 . 1 . . . . 87 GLN NE2 . 11128 1 1045 . 1 1 88 88 CYS H H 1 8.947 0.030 . 1 . . . . 88 CYS H . 11128 1 1046 . 1 1 88 88 CYS HA H 1 5.206 0.030 . 1 . . . . 88 CYS HA . 11128 1 1047 . 1 1 88 88 CYS HB2 H 1 2.500 0.030 . 2 . . . . 88 CYS HB2 . 11128 1 1048 . 1 1 88 88 CYS HB3 H 1 2.339 0.030 . 2 . . . . 88 CYS HB3 . 11128 1 1049 . 1 1 88 88 CYS C C 13 170.112 0.300 . 1 . . . . 88 CYS C . 11128 1 1050 . 1 1 88 88 CYS CA C 13 52.924 0.300 . 1 . . . . 88 CYS CA . 11128 1 1051 . 1 1 88 88 CYS CB C 13 28.814 0.300 . 1 . . . . 88 CYS CB . 11128 1 1052 . 1 1 88 88 CYS N N 15 117.064 0.300 . 1 . . . . 88 CYS N . 11128 1 1053 . 1 1 89 89 PHE H H 1 7.627 0.030 . 1 . . . . 89 PHE H . 11128 1 1054 . 1 1 89 89 PHE HA H 1 5.293 0.030 . 1 . . . . 89 PHE HA . 11128 1 1055 . 1 1 89 89 PHE HB2 H 1 3.053 0.030 . 2 . . . . 89 PHE HB2 . 11128 1 1056 . 1 1 89 89 PHE HB3 H 1 2.477 0.030 . 2 . . . . 89 PHE HB3 . 11128 1 1057 . 1 1 89 89 PHE HD1 H 1 6.092 0.030 . 1 . . . . 89 PHE HD1 . 11128 1 1058 . 1 1 89 89 PHE HD2 H 1 6.092 0.030 . 1 . . . . 89 PHE HD2 . 11128 1 1059 . 1 1 89 89 PHE HE1 H 1 6.485 0.030 . 1 . . . . 89 PHE HE1 . 11128 1 1060 . 1 1 89 89 PHE HE2 H 1 6.485 0.030 . 1 . . . . 89 PHE HE2 . 11128 1 1061 . 1 1 89 89 PHE HZ H 1 6.755 0.030 . 1 . . . . 89 PHE HZ . 11128 1 1062 . 1 1 89 89 PHE C C 13 170.729 0.300 . 1 . . . . 89 PHE C . 11128 1 1063 . 1 1 89 89 PHE CA C 13 54.174 0.300 . 1 . . . . 89 PHE CA . 11128 1 1064 . 1 1 89 89 PHE CB C 13 40.569 0.300 . 1 . . . . 89 PHE CB . 11128 1 1065 . 1 1 89 89 PHE CD1 C 13 129.616 0.300 . 1 . . . . 89 PHE CD1 . 11128 1 1066 . 1 1 89 89 PHE CD2 C 13 129.616 0.300 . 1 . . . . 89 PHE CD2 . 11128 1 1067 . 1 1 89 89 PHE CE1 C 13 127.905 0.300 . 1 . . . . 89 PHE CE1 . 11128 1 1068 . 1 1 89 89 PHE CE2 C 13 127.905 0.300 . 1 . . . . 89 PHE CE2 . 11128 1 1069 . 1 1 89 89 PHE CZ C 13 126.386 0.300 . 1 . . . . 89 PHE CZ . 11128 1 1070 . 1 1 89 89 PHE N N 15 115.182 0.300 . 1 . . . . 89 PHE N . 11128 1 1071 . 1 1 90 90 ASN H H 1 8.698 0.030 . 1 . . . . 90 ASN H . 11128 1 1072 . 1 1 90 90 ASN HA H 1 3.873 0.030 . 1 . . . . 90 ASN HA . 11128 1 1073 . 1 1 90 90 ASN HB2 H 1 2.686 0.030 . 1 . . . . 90 ASN HB2 . 11128 1 1074 . 1 1 90 90 ASN HB3 H 1 2.686 0.030 . 1 . . . . 90 ASN HB3 . 11128 1 1075 . 1 1 90 90 ASN HD21 H 1 7.447 0.030 . 2 . . . . 90 ASN HD21 . 11128 1 1076 . 1 1 90 90 ASN HD22 H 1 6.775 0.030 . 2 . . . . 90 ASN HD22 . 11128 1 1077 . 1 1 90 90 ASN C C 13 172.545 0.300 . 1 . . . . 90 ASN C . 11128 1 1078 . 1 1 90 90 ASN CA C 13 49.715 0.300 . 1 . . . . 90 ASN CA . 11128 1 1079 . 1 1 90 90 ASN CB C 13 36.127 0.300 . 1 . . . . 90 ASN CB . 11128 1 1080 . 1 1 90 90 ASN N N 15 118.769 0.300 . 1 . . . . 90 ASN N . 11128 1 1081 . 1 1 90 90 ASN ND2 N 15 110.452 0.300 . 1 . . . . 90 ASN ND2 . 11128 1 1082 . 1 1 91 91 GLU H H 1 8.785 0.030 . 1 . . . . 91 GLU H . 11128 1 1083 . 1 1 91 91 GLU HA H 1 4.067 0.030 . 1 . . . . 91 GLU HA . 11128 1 1084 . 1 1 91 91 GLU HB2 H 1 1.970 0.030 . 1 . . . . 91 GLU HB2 . 11128 1 1085 . 1 1 91 91 GLU HB3 H 1 1.970 0.030 . 1 . . . . 91 GLU HB3 . 11128 1 1086 . 1 1 91 91 GLU HG2 H 1 2.154 0.030 . 2 . . . . 91 GLU HG2 . 11128 1 1087 . 1 1 91 91 GLU HG3 H 1 2.267 0.030 . 2 . . . . 91 GLU HG3 . 11128 1 1088 . 1 1 91 91 GLU C C 13 174.805 0.300 . 1 . . . . 91 GLU C . 11128 1 1089 . 1 1 91 91 GLU CA C 13 56.639 0.300 . 1 . . . . 91 GLU CA . 11128 1 1090 . 1 1 91 91 GLU CB C 13 26.567 0.300 . 1 . . . . 91 GLU CB . 11128 1 1091 . 1 1 91 91 GLU CG C 13 33.715 0.300 . 1 . . . . 91 GLU CG . 11128 1 1092 . 1 1 91 91 GLU N N 15 118.565 0.300 . 1 . . . . 91 GLU N . 11128 1 1093 . 1 1 92 92 GLY H H 1 8.266 0.030 . 1 . . . . 92 GLY H . 11128 1 1094 . 1 1 92 92 GLY HA2 H 1 4.082 0.030 . 2 . . . . 92 GLY HA2 . 11128 1 1095 . 1 1 92 92 GLY HA3 H 1 3.448 0.030 . 2 . . . . 92 GLY HA3 . 11128 1 1096 . 1 1 92 92 GLY C C 13 171.589 0.300 . 1 . . . . 92 GLY C . 11128 1 1097 . 1 1 92 92 GLY CA C 13 42.736 0.300 . 1 . . . . 92 GLY CA . 11128 1 1098 . 1 1 92 92 GLY N N 15 106.735 0.300 . 1 . . . . 92 GLY N . 11128 1 1099 . 1 1 93 93 GLY H H 1 7.442 0.030 . 1 . . . . 93 GLY H . 11128 1 1100 . 1 1 93 93 GLY HA2 H 1 4.416 0.030 . 2 . . . . 93 GLY HA2 . 11128 1 1101 . 1 1 93 93 GLY HA3 H 1 3.734 0.030 . 2 . . . . 93 GLY HA3 . 11128 1 1102 . 1 1 93 93 GLY C C 13 168.950 0.300 . 1 . . . . 93 GLY C . 11128 1 1103 . 1 1 93 93 GLY CA C 13 42.376 0.300 . 1 . . . . 93 GLY CA . 11128 1 1104 . 1 1 93 93 GLY N N 15 106.765 0.300 . 1 . . . . 93 GLY N . 11128 1 1105 . 1 1 94 94 GLU H H 1 8.015 0.030 . 1 . . . . 94 GLU H . 11128 1 1106 . 1 1 94 94 GLU HA H 1 4.857 0.030 . 1 . . . . 94 GLU HA . 11128 1 1107 . 1 1 94 94 GLU HB2 H 1 1.867 0.030 . 1 . . . . 94 GLU HB2 . 11128 1 1108 . 1 1 94 94 GLU HB3 H 1 1.867 0.030 . 1 . . . . 94 GLU HB3 . 11128 1 1109 . 1 1 94 94 GLU HG2 H 1 2.217 0.030 . 2 . . . . 94 GLU HG2 . 11128 1 1110 . 1 1 94 94 GLU HG3 H 1 2.079 0.030 . 2 . . . . 94 GLU HG3 . 11128 1 1111 . 1 1 94 94 GLU C C 13 173.909 0.300 . 1 . . . . 94 GLU C . 11128 1 1112 . 1 1 94 94 GLU CA C 13 52.611 0.300 . 1 . . . . 94 GLU CA . 11128 1 1113 . 1 1 94 94 GLU CB C 13 30.362 0.300 . 1 . . . . 94 GLU CB . 11128 1 1114 . 1 1 94 94 GLU CG C 13 34.326 0.300 . 1 . . . . 94 GLU CG . 11128 1 1115 . 1 1 94 94 GLU N N 15 116.532 0.300 . 1 . . . . 94 GLU N . 11128 1 1116 . 1 1 95 95 SER H H 1 8.518 0.030 . 1 . . . . 95 SER H . 11128 1 1117 . 1 1 95 95 SER HA H 1 4.385 0.030 . 1 . . . . 95 SER HA . 11128 1 1118 . 1 1 95 95 SER HB2 H 1 4.105 0.030 . 2 . . . . 95 SER HB2 . 11128 1 1119 . 1 1 95 95 SER HB3 H 1 3.678 0.030 . 2 . . . . 95 SER HB3 . 11128 1 1120 . 1 1 95 95 SER C C 13 172.387 0.300 . 1 . . . . 95 SER C . 11128 1 1121 . 1 1 95 95 SER CA C 13 55.842 0.300 . 1 . . . . 95 SER CA . 11128 1 1122 . 1 1 95 95 SER CB C 13 65.102 0.300 . 1 . . . . 95 SER CB . 11128 1 1123 . 1 1 95 95 SER N N 15 116.075 0.300 . 1 . . . . 95 SER N . 11128 1 1124 . 1 1 96 96 GLU H H 1 8.528 0.030 . 1 . . . . 96 GLU H . 11128 1 1125 . 1 1 96 96 GLU HA H 1 4.159 0.030 . 1 . . . . 96 GLU HA . 11128 1 1126 . 1 1 96 96 GLU HB2 H 1 2.122 0.030 . 2 . . . . 96 GLU HB2 . 11128 1 1127 . 1 1 96 96 GLU HB3 H 1 2.007 0.030 . 2 . . . . 96 GLU HB3 . 11128 1 1128 . 1 1 96 96 GLU HG2 H 1 2.445 0.030 . 2 . . . . 96 GLU HG2 . 11128 1 1129 . 1 1 96 96 GLU HG3 H 1 2.336 0.030 . 2 . . . . 96 GLU HG3 . 11128 1 1130 . 1 1 96 96 GLU C C 13 175.587 0.300 . 1 . . . . 96 GLU C . 11128 1 1131 . 1 1 96 96 GLU CA C 13 54.303 0.300 . 1 . . . . 96 GLU CA . 11128 1 1132 . 1 1 96 96 GLU CB C 13 28.100 0.300 . 1 . . . . 96 GLU CB . 11128 1 1133 . 1 1 96 96 GLU CG C 13 34.026 0.300 . 1 . . . . 96 GLU CG . 11128 1 1134 . 1 1 96 96 GLU N N 15 116.767 0.300 . 1 . . . . 96 GLU N . 11128 1 1135 . 1 1 97 97 PHE H H 1 8.725 0.030 . 1 . . . . 97 PHE H . 11128 1 1136 . 1 1 97 97 PHE HA H 1 4.697 0.030 . 1 . . . . 97 PHE HA . 11128 1 1137 . 1 1 97 97 PHE HB2 H 1 3.126 0.030 . 2 . . . . 97 PHE HB2 . 11128 1 1138 . 1 1 97 97 PHE HB3 H 1 2.874 0.030 . 2 . . . . 97 PHE HB3 . 11128 1 1139 . 1 1 97 97 PHE HD1 H 1 6.960 0.030 . 1 . . . . 97 PHE HD1 . 11128 1 1140 . 1 1 97 97 PHE HD2 H 1 6.960 0.030 . 1 . . . . 97 PHE HD2 . 11128 1 1141 . 1 1 97 97 PHE HE1 H 1 6.578 0.030 . 1 . . . . 97 PHE HE1 . 11128 1 1142 . 1 1 97 97 PHE HE2 H 1 6.578 0.030 . 1 . . . . 97 PHE HE2 . 11128 1 1143 . 1 1 97 97 PHE HZ H 1 6.487 0.030 . 1 . . . . 97 PHE HZ . 11128 1 1144 . 1 1 97 97 PHE C C 13 175.675 0.300 . 1 . . . . 97 PHE C . 11128 1 1145 . 1 1 97 97 PHE CA C 13 57.435 0.300 . 1 . . . . 97 PHE CA . 11128 1 1146 . 1 1 97 97 PHE CB C 13 38.815 0.300 . 1 . . . . 97 PHE CB . 11128 1 1147 . 1 1 97 97 PHE CD1 C 13 128.777 0.300 . 1 . . . . 97 PHE CD1 . 11128 1 1148 . 1 1 97 97 PHE CD2 C 13 128.777 0.300 . 1 . . . . 97 PHE CD2 . 11128 1 1149 . 1 1 97 97 PHE CE1 C 13 128.960 0.300 . 1 . . . . 97 PHE CE1 . 11128 1 1150 . 1 1 97 97 PHE CE2 C 13 128.960 0.300 . 1 . . . . 97 PHE CE2 . 11128 1 1151 . 1 1 97 97 PHE CZ C 13 128.035 0.300 . 1 . . . . 97 PHE CZ . 11128 1 1152 . 1 1 97 97 PHE N N 15 119.462 0.300 . 1 . . . . 97 PHE N . 11128 1 1153 . 1 1 98 98 SER H H 1 9.058 0.030 . 1 . . . . 98 SER H . 11128 1 1154 . 1 1 98 98 SER HA H 1 4.723 0.030 . 1 . . . . 98 SER HA . 11128 1 1155 . 1 1 98 98 SER HB2 H 1 3.516 0.030 . 1 . . . . 98 SER HB2 . 11128 1 1156 . 1 1 98 98 SER HB3 H 1 3.516 0.030 . 1 . . . . 98 SER HB3 . 11128 1 1157 . 1 1 98 98 SER C C 13 170.519 0.300 . 1 . . . . 98 SER C . 11128 1 1158 . 1 1 98 98 SER CA C 13 55.772 0.300 . 1 . . . . 98 SER CA . 11128 1 1159 . 1 1 98 98 SER CB C 13 64.788 0.300 . 1 . . . . 98 SER CB . 11128 1 1160 . 1 1 98 98 SER N N 15 114.426 0.300 . 1 . . . . 98 SER N . 11128 1 1161 . 1 1 99 99 ASN H H 1 9.041 0.030 . 1 . . . . 99 ASN H . 11128 1 1162 . 1 1 99 99 ASN HA H 1 4.433 0.030 . 1 . . . . 99 ASN HA . 11128 1 1163 . 1 1 99 99 ASN HB2 H 1 2.882 0.030 . 2 . . . . 99 ASN HB2 . 11128 1 1164 . 1 1 99 99 ASN HB3 H 1 2.709 0.030 . 2 . . . . 99 ASN HB3 . 11128 1 1165 . 1 1 99 99 ASN HD21 H 1 6.944 0.030 . 2 . . . . 99 ASN HD21 . 11128 1 1166 . 1 1 99 99 ASN HD22 H 1 7.524 0.030 . 2 . . . . 99 ASN HD22 . 11128 1 1167 . 1 1 99 99 ASN C C 13 171.900 0.300 . 1 . . . . 99 ASN C . 11128 1 1168 . 1 1 99 99 ASN CA C 13 52.394 0.300 . 1 . . . . 99 ASN CA . 11128 1 1169 . 1 1 99 99 ASN CB C 13 33.513 0.300 . 1 . . . . 99 ASN CB . 11128 1 1170 . 1 1 99 99 ASN N N 15 111.483 0.300 . 1 . . . . 99 ASN N . 11128 1 1171 . 1 1 99 99 ASN ND2 N 15 115.510 0.300 . 1 . . . . 99 ASN ND2 . 11128 1 1172 . 1 1 100 100 VAL H H 1 8.451 0.030 . 1 . . . . 100 VAL H . 11128 1 1173 . 1 1 100 100 VAL HA H 1 4.610 0.030 . 1 . . . . 100 VAL HA . 11128 1 1174 . 1 1 100 100 VAL HB H 1 1.819 0.030 . 1 . . . . 100 VAL HB . 11128 1 1175 . 1 1 100 100 VAL HG11 H 1 0.744 0.030 . 1 . . . . 100 VAL HG1 . 11128 1 1176 . 1 1 100 100 VAL HG12 H 1 0.744 0.030 . 1 . . . . 100 VAL HG1 . 11128 1 1177 . 1 1 100 100 VAL HG13 H 1 0.744 0.030 . 1 . . . . 100 VAL HG1 . 11128 1 1178 . 1 1 100 100 VAL HG21 H 1 0.825 0.030 . 1 . . . . 100 VAL HG2 . 11128 1 1179 . 1 1 100 100 VAL HG22 H 1 0.825 0.030 . 1 . . . . 100 VAL HG2 . 11128 1 1180 . 1 1 100 100 VAL HG23 H 1 0.825 0.030 . 1 . . . . 100 VAL HG2 . 11128 1 1181 . 1 1 100 100 VAL C C 13 174.750 0.300 . 1 . . . . 100 VAL C . 11128 1 1182 . 1 1 100 100 VAL CA C 13 58.991 0.300 . 1 . . . . 100 VAL CA . 11128 1 1183 . 1 1 100 100 VAL CB C 13 30.256 0.300 . 1 . . . . 100 VAL CB . 11128 1 1184 . 1 1 100 100 VAL CG1 C 13 18.532 0.300 . 2 . . . . 100 VAL CG1 . 11128 1 1185 . 1 1 100 100 VAL CG2 C 13 19.539 0.300 . 2 . . . . 100 VAL CG2 . 11128 1 1186 . 1 1 100 100 VAL N N 15 122.350 0.300 . 1 . . . . 100 VAL N . 11128 1 1187 . 1 1 101 101 MET H H 1 9.246 0.030 . 1 . . . . 101 MET H . 11128 1 1188 . 1 1 101 101 MET HA H 1 4.829 0.030 . 1 . . . . 101 MET HA . 11128 1 1189 . 1 1 101 101 MET HB2 H 1 1.855 0.030 . 2 . . . . 101 MET HB2 . 11128 1 1190 . 1 1 101 101 MET HB3 H 1 1.565 0.030 . 2 . . . . 101 MET HB3 . 11128 1 1191 . 1 1 101 101 MET HE1 H 1 1.902 0.030 . 1 . . . . 101 MET HE . 11128 1 1192 . 1 1 101 101 MET HE2 H 1 1.902 0.030 . 1 . . . . 101 MET HE . 11128 1 1193 . 1 1 101 101 MET HE3 H 1 1.902 0.030 . 1 . . . . 101 MET HE . 11128 1 1194 . 1 1 101 101 MET HG2 H 1 2.261 0.030 . 1 . . . . 101 MET HG2 . 11128 1 1195 . 1 1 101 101 MET HG3 H 1 2.261 0.030 . 1 . . . . 101 MET HG3 . 11128 1 1196 . 1 1 101 101 MET C C 13 171.479 0.300 . 1 . . . . 101 MET C . 11128 1 1197 . 1 1 101 101 MET CA C 13 50.484 0.300 . 1 . . . . 101 MET CA . 11128 1 1198 . 1 1 101 101 MET CB C 13 33.548 0.300 . 1 . . . . 101 MET CB . 11128 1 1199 . 1 1 101 101 MET CE C 13 15.237 0.300 . 1 . . . . 101 MET CE . 11128 1 1200 . 1 1 101 101 MET CG C 13 30.137 0.300 . 1 . . . . 101 MET CG . 11128 1 1201 . 1 1 101 101 MET N N 15 127.793 0.300 . 1 . . . . 101 MET N . 11128 1 1202 . 1 1 102 102 ILE H H 1 8.049 0.030 . 1 . . . . 102 ILE H . 11128 1 1203 . 1 1 102 102 ILE HA H 1 5.327 0.030 . 1 . . . . 102 ILE HA . 11128 1 1204 . 1 1 102 102 ILE HB H 1 1.500 0.030 . 1 . . . . 102 ILE HB . 11128 1 1205 . 1 1 102 102 ILE HD11 H 1 0.732 0.030 . 1 . . . . 102 ILE HD1 . 11128 1 1206 . 1 1 102 102 ILE HD12 H 1 0.732 0.030 . 1 . . . . 102 ILE HD1 . 11128 1 1207 . 1 1 102 102 ILE HD13 H 1 0.732 0.030 . 1 . . . . 102 ILE HD1 . 11128 1 1208 . 1 1 102 102 ILE HG12 H 1 1.107 0.030 . 2 . . . . 102 ILE HG12 . 11128 1 1209 . 1 1 102 102 ILE HG13 H 1 1.372 0.030 . 2 . . . . 102 ILE HG13 . 11128 1 1210 . 1 1 102 102 ILE HG21 H 1 0.696 0.030 . 1 . . . . 102 ILE HG2 . 11128 1 1211 . 1 1 102 102 ILE HG22 H 1 0.696 0.030 . 1 . . . . 102 ILE HG2 . 11128 1 1212 . 1 1 102 102 ILE HG23 H 1 0.696 0.030 . 1 . . . . 102 ILE HG2 . 11128 1 1213 . 1 1 102 102 ILE C C 13 174.559 0.300 . 1 . . . . 102 ILE C . 11128 1 1214 . 1 1 102 102 ILE CA C 13 57.355 0.300 . 1 . . . . 102 ILE CA . 11128 1 1215 . 1 1 102 102 ILE CB C 13 37.689 0.300 . 1 . . . . 102 ILE CB . 11128 1 1216 . 1 1 102 102 ILE CD1 C 13 11.743 0.300 . 1 . . . . 102 ILE CD1 . 11128 1 1217 . 1 1 102 102 ILE CG1 C 13 25.017 0.300 . 1 . . . . 102 ILE CG1 . 11128 1 1218 . 1 1 102 102 ILE CG2 C 13 15.324 0.300 . 1 . . . . 102 ILE CG2 . 11128 1 1219 . 1 1 102 102 ILE N N 15 120.547 0.300 . 1 . . . . 102 ILE N . 11128 1 1220 . 1 1 103 103 CYS H H 1 9.088 0.030 . 1 . . . . 103 CYS H . 11128 1 1221 . 1 1 103 103 CYS HA H 1 4.509 0.030 . 1 . . . . 103 CYS HA . 11128 1 1222 . 1 1 103 103 CYS HB2 H 1 2.612 0.030 . 2 . . . . 103 CYS HB2 . 11128 1 1223 . 1 1 103 103 CYS HB3 H 1 2.325 0.030 . 2 . . . . 103 CYS HB3 . 11128 1 1224 . 1 1 103 103 CYS C C 13 169.334 0.300 . 1 . . . . 103 CYS C . 11128 1 1225 . 1 1 103 103 CYS CA C 13 56.063 0.300 . 1 . . . . 103 CYS CA . 11128 1 1226 . 1 1 103 103 CYS CB C 13 27.960 0.300 . 1 . . . . 103 CYS CB . 11128 1 1227 . 1 1 103 103 CYS N N 15 127.385 0.300 . 1 . . . . 103 CYS N . 11128 1 1228 . 1 1 104 104 GLU H H 1 8.536 0.030 . 1 . . . . 104 GLU H . 11128 1 1229 . 1 1 104 104 GLU HA H 1 5.480 0.030 . 1 . . . . 104 GLU HA . 11128 1 1230 . 1 1 104 104 GLU HB2 H 1 1.864 0.030 . 2 . . . . 104 GLU HB2 . 11128 1 1231 . 1 1 104 104 GLU HB3 H 1 1.725 0.030 . 2 . . . . 104 GLU HB3 . 11128 1 1232 . 1 1 104 104 GLU HG2 H 1 1.892 0.030 . 2 . . . . 104 GLU HG2 . 11128 1 1233 . 1 1 104 104 GLU HG3 H 1 2.193 0.030 . 2 . . . . 104 GLU HG3 . 11128 1 1234 . 1 1 104 104 GLU C C 13 174.902 0.300 . 1 . . . . 104 GLU C . 11128 1 1235 . 1 1 104 104 GLU CA C 13 51.620 0.300 . 1 . . . . 104 GLU CA . 11128 1 1236 . 1 1 104 104 GLU CB C 13 29.968 0.300 . 1 . . . . 104 GLU CB . 11128 1 1237 . 1 1 104 104 GLU CG C 13 33.695 0.300 . 1 . . . . 104 GLU CG . 11128 1 1238 . 1 1 104 104 GLU N N 15 129.514 0.300 . 1 . . . . 104 GLU N . 11128 1 1239 . 1 1 105 105 THR H H 1 8.424 0.030 . 1 . . . . 105 THR H . 11128 1 1240 . 1 1 105 105 THR HA H 1 3.905 0.030 . 1 . . . . 105 THR HA . 11128 1 1241 . 1 1 105 105 THR HB H 1 4.460 0.030 . 1 . . . . 105 THR HB . 11128 1 1242 . 1 1 105 105 THR HG21 H 1 1.041 0.030 . 1 . . . . 105 THR HG2 . 11128 1 1243 . 1 1 105 105 THR HG22 H 1 1.041 0.030 . 1 . . . . 105 THR HG2 . 11128 1 1244 . 1 1 105 105 THR HG23 H 1 1.041 0.030 . 1 . . . . 105 THR HG2 . 11128 1 1245 . 1 1 105 105 THR C C 13 172.603 0.300 . 1 . . . . 105 THR C . 11128 1 1246 . 1 1 105 105 THR CA C 13 59.153 0.300 . 1 . . . . 105 THR CA . 11128 1 1247 . 1 1 105 105 THR CB C 13 67.112 0.300 . 1 . . . . 105 THR CB . 11128 1 1248 . 1 1 105 105 THR CG2 C 13 22.354 0.300 . 1 . . . . 105 THR CG2 . 11128 1 1249 . 1 1 105 105 THR N N 15 113.048 0.300 . 1 . . . . 105 THR N . 11128 1 1250 . 1 1 106 106 LYS H H 1 6.434 0.030 . 1 . . . . 106 LYS H . 11128 1 1251 . 1 1 106 106 LYS HA H 1 4.069 0.030 . 1 . . . . 106 LYS HA . 11128 1 1252 . 1 1 106 106 LYS HB2 H 1 1.928 0.030 . 2 . . . . 106 LYS HB2 . 11128 1 1253 . 1 1 106 106 LYS HB3 H 1 1.112 0.030 . 2 . . . . 106 LYS HB3 . 11128 1 1254 . 1 1 106 106 LYS HD2 H 1 1.449 0.030 . 2 . . . . 106 LYS HD2 . 11128 1 1255 . 1 1 106 106 LYS HD3 H 1 1.552 0.030 . 2 . . . . 106 LYS HD3 . 11128 1 1256 . 1 1 106 106 LYS HE2 H 1 2.827 0.030 . 1 . . . . 106 LYS HE2 . 11128 1 1257 . 1 1 106 106 LYS HE3 H 1 2.827 0.030 . 1 . . . . 106 LYS HE3 . 11128 1 1258 . 1 1 106 106 LYS HG2 H 1 1.214 0.030 . 1 . . . . 106 LYS HG2 . 11128 1 1259 . 1 1 106 106 LYS HG3 H 1 1.214 0.030 . 1 . . . . 106 LYS HG3 . 11128 1 1260 . 1 1 106 106 LYS C C 13 172.997 0.300 . 1 . . . . 106 LYS C . 11128 1 1261 . 1 1 106 106 LYS CA C 13 53.855 0.300 . 1 . . . . 106 LYS CA . 11128 1 1262 . 1 1 106 106 LYS CB C 13 31.222 0.300 . 1 . . . . 106 LYS CB . 11128 1 1263 . 1 1 106 106 LYS CD C 13 26.588 0.300 . 1 . . . . 106 LYS CD . 11128 1 1264 . 1 1 106 106 LYS CE C 13 39.712 0.300 . 1 . . . . 106 LYS CE . 11128 1 1265 . 1 1 106 106 LYS CG C 13 23.073 0.300 . 1 . . . . 106 LYS CG . 11128 1 1266 . 1 1 106 106 LYS N N 15 115.340 0.300 . 1 . . . . 106 LYS N . 11128 1 1267 . 1 1 107 107 ALA H H 1 8.009 0.030 . 1 . . . . 107 ALA H . 11128 1 1268 . 1 1 107 107 ALA HA H 1 4.231 0.030 . 1 . . . . 107 ALA HA . 11128 1 1269 . 1 1 107 107 ALA HB1 H 1 1.260 0.030 . 1 . . . . 107 ALA HB . 11128 1 1270 . 1 1 107 107 ALA HB2 H 1 1.260 0.030 . 1 . . . . 107 ALA HB . 11128 1 1271 . 1 1 107 107 ALA HB3 H 1 1.260 0.030 . 1 . . . . 107 ALA HB . 11128 1 1272 . 1 1 107 107 ALA C C 13 175.397 0.300 . 1 . . . . 107 ALA C . 11128 1 1273 . 1 1 107 107 ALA CA C 13 49.329 0.300 . 1 . . . . 107 ALA CA . 11128 1 1274 . 1 1 107 107 ALA CB C 13 17.291 0.300 . 1 . . . . 107 ALA CB . 11128 1 1275 . 1 1 107 107 ALA N N 15 119.789 0.300 . 1 . . . . 107 ALA N . 11128 1 1276 . 1 1 108 108 ARG H H 1 8.599 0.030 . 1 . . . . 108 ARG H . 11128 1 1277 . 1 1 108 108 ARG HA H 1 4.079 0.030 . 1 . . . . 108 ARG HA . 11128 1 1278 . 1 1 108 108 ARG HB2 H 1 1.733 0.030 . 2 . . . . 108 ARG HB2 . 11128 1 1279 . 1 1 108 108 ARG HB3 H 1 1.566 0.030 . 2 . . . . 108 ARG HB3 . 11128 1 1280 . 1 1 108 108 ARG HD2 H 1 3.112 0.030 . 1 . . . . 108 ARG HD2 . 11128 1 1281 . 1 1 108 108 ARG HD3 H 1 3.112 0.030 . 1 . . . . 108 ARG HD3 . 11128 1 1282 . 1 1 108 108 ARG HG2 H 1 1.562 0.030 . 1 . . . . 108 ARG HG2 . 11128 1 1283 . 1 1 108 108 ARG HG3 H 1 1.562 0.030 . 1 . . . . 108 ARG HG3 . 11128 1 1284 . 1 1 108 108 ARG C C 13 174.555 0.300 . 1 . . . . 108 ARG C . 11128 1 1285 . 1 1 108 108 ARG CA C 13 54.534 0.300 . 1 . . . . 108 ARG CA . 11128 1 1286 . 1 1 108 108 ARG CB C 13 28.397 0.300 . 1 . . . . 108 ARG CB . 11128 1 1287 . 1 1 108 108 ARG CD C 13 41.096 0.300 . 1 . . . . 108 ARG CD . 11128 1 1288 . 1 1 108 108 ARG CG C 13 25.501 0.300 . 1 . . . . 108 ARG CG . 11128 1 1289 . 1 1 108 108 ARG N N 15 119.232 0.300 . 1 . . . . 108 ARG N . 11128 1 1290 . 1 1 109 109 SER H H 1 8.514 0.030 . 1 . . . . 109 SER H . 11128 1 1291 . 1 1 109 109 SER HA H 1 4.382 0.030 . 1 . . . . 109 SER HA . 11128 1 1292 . 1 1 109 109 SER HB2 H 1 3.784 0.030 . 1 . . . . 109 SER HB2 . 11128 1 1293 . 1 1 109 109 SER HB3 H 1 3.784 0.030 . 1 . . . . 109 SER HB3 . 11128 1 1294 . 1 1 109 109 SER C C 13 172.253 0.300 . 1 . . . . 109 SER C . 11128 1 1295 . 1 1 109 109 SER CA C 13 56.055 0.300 . 1 . . . . 109 SER CA . 11128 1 1296 . 1 1 109 109 SER CB C 13 61.787 0.300 . 1 . . . . 109 SER CB . 11128 1 1297 . 1 1 109 109 SER N N 15 118.616 0.300 . 1 . . . . 109 SER N . 11128 1 1298 . 1 1 110 110 GLY H H 1 8.193 0.030 . 1 . . . . 110 GLY H . 11128 1 1299 . 1 1 110 110 GLY HA2 H 1 3.980 0.030 . 2 . . . . 110 GLY HA2 . 11128 1 1300 . 1 1 110 110 GLY HA3 H 1 4.080 0.030 . 2 . . . . 110 GLY HA3 . 11128 1 1301 . 1 1 110 110 GLY CA C 13 42.292 0.300 . 1 . . . . 110 GLY CA . 11128 1 1302 . 1 1 110 110 GLY N N 15 110.480 0.300 . 1 . . . . 110 GLY N . 11128 1 1303 . 1 1 111 111 PRO HA H 1 4.380 0.030 . 1 . . . . 111 PRO HA . 11128 1 1304 . 1 1 111 111 PRO HB2 H 1 2.201 0.030 . 2 . . . . 111 PRO HB2 . 11128 1 1305 . 1 1 111 111 PRO HB3 H 1 1.865 0.030 . 2 . . . . 111 PRO HB3 . 11128 1 1306 . 1 1 111 111 PRO HD2 H 1 3.528 0.030 . 1 . . . . 111 PRO HD2 . 11128 1 1307 . 1 1 111 111 PRO HD3 H 1 3.528 0.030 . 1 . . . . 111 PRO HD3 . 11128 1 1308 . 1 1 111 111 PRO HG2 H 1 1.917 0.030 . 1 . . . . 111 PRO HG2 . 11128 1 1309 . 1 1 111 111 PRO HG3 H 1 1.917 0.030 . 1 . . . . 111 PRO HG3 . 11128 1 1310 . 1 1 111 111 PRO C C 13 175.082 0.300 . 1 . . . . 111 PRO C . 11128 1 1311 . 1 1 111 111 PRO CA C 13 60.850 0.300 . 1 . . . . 111 PRO CA . 11128 1 1312 . 1 1 111 111 PRO CB C 13 29.886 0.300 . 1 . . . . 111 PRO CB . 11128 1 1313 . 1 1 111 111 PRO CD C 13 47.444 0.300 . 1 . . . . 111 PRO CD . 11128 1 1314 . 1 1 111 111 PRO CG C 13 24.777 0.300 . 1 . . . . 111 PRO CG . 11128 1 1315 . 1 1 112 112 SER H H 1 8.462 0.030 . 1 . . . . 112 SER H . 11128 1 1316 . 1 1 112 112 SER HA H 1 4.409 0.030 . 1 . . . . 112 SER HA . 11128 1 1317 . 1 1 112 112 SER HB2 H 1 3.723 0.030 . 1 . . . . 112 SER HB2 . 11128 1 1318 . 1 1 112 112 SER HB3 H 1 3.723 0.030 . 1 . . . . 112 SER HB3 . 11128 1 1319 . 1 1 112 112 SER C C 13 172.246 0.300 . 1 . . . . 112 SER C . 11128 1 1320 . 1 1 112 112 SER CA C 13 55.984 0.300 . 1 . . . . 112 SER CA . 11128 1 1321 . 1 1 112 112 SER CB C 13 61.663 0.300 . 1 . . . . 112 SER CB . 11128 1 1322 . 1 1 112 112 SER N N 15 116.080 0.300 . 1 . . . . 112 SER N . 11128 1 1323 . 1 1 113 113 SER H H 1 8.328 0.030 . 1 . . . . 113 SER H . 11128 1 1324 . 1 1 113 113 SER HA H 1 4.373 0.030 . 1 . . . . 113 SER HA . 11128 1 1325 . 1 1 113 113 SER HB2 H 1 3.792 0.030 . 2 . . . . 113 SER HB2 . 11128 1 1326 . 1 1 113 113 SER C C 13 172.313 0.300 . 1 . . . . 113 SER C . 11128 1 1327 . 1 1 113 113 SER CA C 13 55.913 0.300 . 1 . . . . 113 SER CA . 11128 1 1328 . 1 1 113 113 SER CB C 13 61.704 0.300 . 1 . . . . 113 SER CB . 11128 1 1329 . 1 1 113 113 SER N N 15 117.416 0.300 . 1 . . . . 113 SER N . 11128 1 1330 . 1 1 114 114 GLY H H 1 7.957 0.030 . 1 . . . . 114 GLY H . 11128 1 1331 . 1 1 114 114 GLY HA2 H 1 3.698 0.030 . 2 . . . . 114 GLY HA2 . 11128 1 1332 . 1 1 114 114 GLY HA3 H 1 3.651 0.030 . 2 . . . . 114 GLY HA3 . 11128 1 1333 . 1 1 114 114 GLY C C 13 169.387 0.300 . 1 . . . . 114 GLY C . 11128 1 1334 . 1 1 114 114 GLY CA C 13 43.845 0.300 . 1 . . . . 114 GLY CA . 11128 1 1335 . 1 1 114 114 GLY N N 15 116.485 0.300 . 1 . . . . 114 GLY N . 11128 1 stop_ save_