data_19191 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19191 _Entry.Title ; 4EBP1 contains a pre-populated eIF4E-binding helix ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2013-04-25 _Entry.Accession_date 2013-04-25 _Entry.Last_release_date 2013-05-21 _Entry.Original_release_date 2013-05-21 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Kyou-Hoon Han . . . 19191 2 Ye-Jin Cho . . . 19191 3 Do-Hyoung Kim . . . 19191 4 Chewook Lee . . . 19191 5 Si-Hyung Lee . . . 19191 6 Eun-Ji Cha . . . 19191 7 Ji-Eun Lim . . . 19191 8 'T. Michael' Sabo . . . 19191 9 Christian Griesinger . . . 19191 10 Donghan Lee . . . 19191 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . '1Biomedical Translational Research Center, Division of Convergent Biomedical Research,' . 19191 2 . 'Department of NMR-based Structural Biology, Max-Planck Institute' . 19191 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19191 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 262 19191 '15N chemical shifts' 60 19191 '1H chemical shifts' 360 19191 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 . . 2013-05-21 2013-04-25 original author . 19191 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 19191 _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 '4EBP1 contains a pre-populated eIF4E-binding helix' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Proc. Natl. Acad. Sci. U.S.A.' _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 Ye-Jin Cho . . . 19191 1 2 Do-Hyoung Kim . . . 19191 1 3 Chewook Lee . . . 19191 1 4 Si-Hyung Lee . . . 19191 1 5 Eun-Ji Cha . . . 19191 1 6 Ji-Eun Lim . . . 19191 1 7 'T. Michael' Sabo . . . 19191 1 8 Christian Griesinger . . . 19191 1 9 Donghan Lee . . . 19191 1 10 Kyou-Hoon Han . . . 19191 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID '4E-Binding Protein 1 (4EBP1)' 19191 1 'Conformational Selection (CS)' 19191 1 'Intrinsically Disordered Protein (IDP)' 19191 1 'Pre-Structured Motif (PreSMo)' 19191 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19191 _Assembly.ID 1 _Assembly.Name eIF4E _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 eIF4E 1 $eIF4E A . no 'intrinsically disordered' no no . . . 19191 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_eIF4E _Entity.Sf_category entity _Entity.Sf_framecode eIF4E _Entity.Entry_ID 19191 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name eIF4E _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GTRIIYDRKFLMECRNSPVT KTPPRDLPTIPGVTSPSSDE PPMEASQSHLRNSPEDKRAG GEESQFEMDI ; _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 70 _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 2015-11-25 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 5BXV . "Eif4e Complex" . . . . . 51.43 44 100.00 100.00 4.24e-16 . . . . 19191 1 2 no DBJ BAB18650 . "eukaryotic translation initiation factor 4E binding protein 1 [Homo sapiens]" . . . . . 100.00 118 100.00 100.00 5.38e-42 . . . . 19191 1 3 no DBJ BAG34949 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 118 100.00 100.00 5.38e-42 . . . . 19191 1 4 no DBJ BAJ20729 . "eukaryotic translation initiation factor 4E binding protein 1 [synthetic construct]" . . . . . 100.00 118 100.00 100.00 5.38e-42 . . . . 19191 1 5 no EMBL CAG33050 . "EIF4EBP1 [Homo sapiens]" . . . . . 100.00 118 100.00 100.00 5.38e-42 . . . . 19191 1 6 no GB AAA62269 . "4E-binding protein 1 [Homo sapiens]" . . . . . 100.00 118 100.00 100.00 5.38e-42 . . . . 19191 1 7 no GB AAH04459 . "Eukaryotic translation initiation factor 4E binding protein 1 [Homo sapiens]" . . . . . 100.00 118 100.00 100.00 5.38e-42 . . . . 19191 1 8 no GB AAH58073 . "Eukaryotic translation initiation factor 4E binding protein 1 [Homo sapiens]" . . . . . 100.00 118 100.00 100.00 5.38e-42 . . . . 19191 1 9 no GB AAP35826 . "eukaryotic translation initiation factor 4E binding protein 1 [Homo sapiens]" . . . . . 100.00 118 100.00 100.00 5.38e-42 . . . . 19191 1 10 no GB AAP36131 . "Homo sapiens eukaryotic translation initiation factor 4E binding protein 1 [synthetic construct]" . . . . . 100.00 119 100.00 100.00 5.59e-42 . . . . 19191 1 11 no PRF 2021415A . "initiation factor 4E-binding protein:ISOTYPE=1" . . . . . 100.00 118 100.00 100.00 5.38e-42 . . . . 19191 1 12 no REF NP_004086 . "eukaryotic translation initiation factor 4E-binding protein 1 [Homo sapiens]" . . . . . 100.00 118 100.00 100.00 5.38e-42 . . . . 19191 1 13 no REF XP_002819050 . "PREDICTED: eukaryotic translation initiation factor 4E-binding protein 1 [Pongo abelii]" . . . . . 100.00 118 100.00 100.00 5.38e-42 . . . . 19191 1 14 no REF XP_004046943 . "PREDICTED: eukaryotic translation initiation factor 4E-binding protein 1 [Gorilla gorilla gorilla]" . . . . . 100.00 118 100.00 100.00 5.38e-42 . . . . 19191 1 15 no REF XP_008070572 . "PREDICTED: eukaryotic translation initiation factor 4E-binding protein 1 [Tarsius syrichta]" . . . . . 98.57 166 97.10 98.55 9.00e-40 . . . . 19191 1 16 no REF XP_008954494 . "PREDICTED: eukaryotic translation initiation factor 4E-binding protein 1 [Pan paniscus]" . . . . . 88.57 151 98.39 98.39 2.80e-34 . . . . 19191 1 17 no SP Q13541 . "RecName: Full=Eukaryotic translation initiation factor 4E-binding protein 1; Short=4E-BP1; Short=eIF4E-binding protein 1; AltNa" . . . . . 100.00 118 100.00 100.00 5.38e-42 . . . . 19191 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'eIF4E-binding protein' 19191 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 49 GLY . 19191 1 2 50 THR . 19191 1 3 51 ARG . 19191 1 4 52 ILE . 19191 1 5 53 ILE . 19191 1 6 54 TYR . 19191 1 7 55 ASP . 19191 1 8 56 ARG . 19191 1 9 57 LYS . 19191 1 10 58 PHE . 19191 1 11 59 LEU . 19191 1 12 60 MET . 19191 1 13 61 GLU . 19191 1 14 62 CYS . 19191 1 15 63 ARG . 19191 1 16 64 ASN . 19191 1 17 65 SER . 19191 1 18 66 PRO . 19191 1 19 67 VAL . 19191 1 20 68 THR . 19191 1 21 69 LYS . 19191 1 22 70 THR . 19191 1 23 71 PRO . 19191 1 24 72 PRO . 19191 1 25 73 ARG . 19191 1 26 74 ASP . 19191 1 27 75 LEU . 19191 1 28 76 PRO . 19191 1 29 77 THR . 19191 1 30 78 ILE . 19191 1 31 79 PRO . 19191 1 32 80 GLY . 19191 1 33 81 VAL . 19191 1 34 82 THR . 19191 1 35 83 SER . 19191 1 36 84 PRO . 19191 1 37 85 SER . 19191 1 38 86 SER . 19191 1 39 87 ASP . 19191 1 40 88 GLU . 19191 1 41 89 PRO . 19191 1 42 90 PRO . 19191 1 43 91 MET . 19191 1 44 92 GLU . 19191 1 45 93 ALA . 19191 1 46 94 SER . 19191 1 47 95 GLN . 19191 1 48 96 SER . 19191 1 49 97 HIS . 19191 1 50 98 LEU . 19191 1 51 99 ARG . 19191 1 52 100 ASN . 19191 1 53 101 SER . 19191 1 54 102 PRO . 19191 1 55 103 GLU . 19191 1 56 104 ASP . 19191 1 57 105 LYS . 19191 1 58 106 ARG . 19191 1 59 107 ALA . 19191 1 60 108 GLY . 19191 1 61 109 GLY . 19191 1 62 110 GLU . 19191 1 63 111 GLU . 19191 1 64 112 SER . 19191 1 65 113 GLN . 19191 1 66 114 PHE . 19191 1 67 115 GLU . 19191 1 68 116 MET . 19191 1 69 117 ASP . 19191 1 70 118 ILE . 19191 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 19191 1 . THR 2 2 19191 1 . ARG 3 3 19191 1 . ILE 4 4 19191 1 . ILE 5 5 19191 1 . TYR 6 6 19191 1 . ASP 7 7 19191 1 . ARG 8 8 19191 1 . LYS 9 9 19191 1 . PHE 10 10 19191 1 . LEU 11 11 19191 1 . MET 12 12 19191 1 . GLU 13 13 19191 1 . CYS 14 14 19191 1 . ARG 15 15 19191 1 . ASN 16 16 19191 1 . SER 17 17 19191 1 . PRO 18 18 19191 1 . VAL 19 19 19191 1 . THR 20 20 19191 1 . LYS 21 21 19191 1 . THR 22 22 19191 1 . PRO 23 23 19191 1 . PRO 24 24 19191 1 . ARG 25 25 19191 1 . ASP 26 26 19191 1 . LEU 27 27 19191 1 . PRO 28 28 19191 1 . THR 29 29 19191 1 . ILE 30 30 19191 1 . PRO 31 31 19191 1 . GLY 32 32 19191 1 . VAL 33 33 19191 1 . THR 34 34 19191 1 . SER 35 35 19191 1 . PRO 36 36 19191 1 . SER 37 37 19191 1 . SER 38 38 19191 1 . ASP 39 39 19191 1 . GLU 40 40 19191 1 . PRO 41 41 19191 1 . PRO 42 42 19191 1 . MET 43 43 19191 1 . GLU 44 44 19191 1 . ALA 45 45 19191 1 . SER 46 46 19191 1 . GLN 47 47 19191 1 . SER 48 48 19191 1 . HIS 49 49 19191 1 . LEU 50 50 19191 1 . ARG 51 51 19191 1 . ASN 52 52 19191 1 . SER 53 53 19191 1 . PRO 54 54 19191 1 . GLU 55 55 19191 1 . ASP 56 56 19191 1 . LYS 57 57 19191 1 . ARG 58 58 19191 1 . ALA 59 59 19191 1 . GLY 60 60 19191 1 . GLY 61 61 19191 1 . GLU 62 62 19191 1 . GLU 63 63 19191 1 . SER 64 64 19191 1 . GLN 65 65 19191 1 . PHE 66 66 19191 1 . GLU 67 67 19191 1 . MET 68 68 19191 1 . ASP 69 69 19191 1 . ILE 70 70 19191 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 19191 _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 $eIF4E . 9606 plasmid . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 19191 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 19191 _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 $eIF4E . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pGEX2T . . . . . . 19191 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19191 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 eIF4E '[U-98% 13C; U-98% 15N]' . . 1 $eIF4E . . 0.4 . . mM . . . . 19191 1 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 19191 1 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 19191 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 19191 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.5 . pH 19191 1 pressure 1 . atm 19191 1 temperature 278 . K 19191 1 stop_ save_ save_sample_conditions_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_2 _Sample_condition_list.Entry_ID 19191 _Sample_condition_list.ID 2 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.5 . pH 19191 2 pressure 1 . atm 19191 2 temperature 288 . K 19191 2 stop_ save_ ############################ # Computer software used # ############################ save_VNMRJ _Software.Sf_category software _Software.Sf_framecode VNMRJ _Software.Entry_ID 19191 _Software.ID 1 _Software.Name VNMRJ _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 19191 1 Varian . . 19191 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 19191 1 'data analysis' 19191 1 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 19191 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 19191 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 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 19191 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian INOVA . 600 . . . 19191 1 2 spectrometer_2 Bruker Avance . 900 . . . 19191 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 19191 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19191 1 2 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19191 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19191 1 4 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19191 1 5 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19191 1 6 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19191 1 7 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19191 1 8 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19191 1 9 '3D HNHA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19191 1 10 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19191 1 11 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19191 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 19191 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.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 H 1 water protons . . . . ppm 4.96 internal direct 1.0 . . . . . . . . . 19191 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 19191 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 3 '3D HNCACB' . . . 19191 1 5 '3D CBCA(CO)NH' . . . 19191 1 10 '3D 1H-15N NOESY' . . . 19191 1 11 '3D 1H-15N TOCSY' . . . 19191 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 H H 1 8.72 0.01 . 1 . . . . 49 GLY H . 19191 1 2 . 1 1 1 1 GLY HA2 H 1 4.04 0.01 . 2 . . . . 49 GLY HA2 . 19191 1 3 . 1 1 1 1 GLY HA3 H 1 4.04 0.01 . 2 . . . . 49 GLY HA3 . 19191 1 4 . 1 1 1 1 GLY C C 13 174.22 0.01 . 1 . . . . 49 GLY C . 19191 1 5 . 1 1 1 1 GLY CA C 13 45.26 0.01 . 1 . . . . 49 GLY CA . 19191 1 6 . 1 1 2 2 THR H H 1 8.19 0.01 . 1 . . . . 50 THR H . 19191 1 7 . 1 1 2 2 THR HA H 1 4.31 0.01 . 1 . . . . 50 THR HA . 19191 1 8 . 1 1 2 2 THR HB H 1 4.17 0.01 . 1 . . . . 50 THR HB . 19191 1 9 . 1 1 2 2 THR HG21 H 1 1.20 0.01 . 1 . . . . 50 THR HG1 . 19191 1 10 . 1 1 2 2 THR HG22 H 1 1.20 0.01 . 1 . . . . 50 THR HG1 . 19191 1 11 . 1 1 2 2 THR HG23 H 1 1.20 0.01 . 1 . . . . 50 THR HG1 . 19191 1 12 . 1 1 2 2 THR C C 13 174.351 0.01 . 1 . . . . 50 THR C . 19191 1 13 . 1 1 2 2 THR CA C 13 62.08 0.01 . 1 . . . . 50 THR CA . 19191 1 14 . 1 1 2 2 THR CB C 13 69.83 0.01 . 1 . . . . 50 THR CB . 19191 1 15 . 1 1 2 2 THR CG2 C 13 21.56 0.01 . 1 . . . . 50 THR CG2 . 19191 1 16 . 1 1 2 2 THR N N 15 114.84 0.01 . 1 . . . . 50 THR N . 19191 1 17 . 1 1 3 3 ARG H H 1 8.50 0.01 . 1 . . . . 51 ARG H . 19191 1 18 . 1 1 3 3 ARG HA H 1 4.34 0.01 . 1 . . . . 51 ARG HA . 19191 1 19 . 1 1 3 3 ARG HB2 H 1 1.76 0.01 . 2 . . . . 51 ARG HB2 . 19191 1 20 . 1 1 3 3 ARG HB3 H 1 1.76 0.01 . 2 . . . . 51 ARG HB3 . 19191 1 21 . 1 1 3 3 ARG HG2 H 1 1.60 0.01 . 2 . . . . 51 ARG HG2 . 19191 1 22 . 1 1 3 3 ARG HG3 H 1 1.60 0.01 . 2 . . . . 51 ARG HG3 . 19191 1 23 . 1 1 3 3 ARG HD2 H 1 3.17 0.01 . 2 . . . . 51 ARG HD2 . 19191 1 24 . 1 1 3 3 ARG HD3 H 1 3.17 0.01 . 2 . . . . 51 ARG HD3 . 19191 1 25 . 1 1 3 3 ARG HH11 H 1 8.50 0.01 . 2 . . . . 51 ARG NH1 . 19191 1 26 . 1 1 3 3 ARG HH21 H 1 8.50 0.01 . 2 . . . . 51 ARG NH2 . 19191 1 27 . 1 1 3 3 ARG C C 13 175.78 0.01 . 1 . . . . 51 ARG C . 19191 1 28 . 1 1 3 3 ARG CA C 13 56.11 0.01 . 1 . . . . 51 ARG CA . 19191 1 29 . 1 1 3 3 ARG CB C 13 30.85 0.01 . 1 . . . . 51 ARG CB . 19191 1 30 . 1 1 3 3 ARG CG C 13 27.08 0.01 . 1 . . . . 51 ARG CG . 19191 1 31 . 1 1 3 3 ARG CD C 13 43.37 0.01 . 1 . . . . 51 ARG CD . 19191 1 32 . 1 1 3 3 ARG N N 15 124.78 0.01 . 1 . . . . 51 ARG N . 19191 1 33 . 1 1 4 4 ILE H H 1 8.35 0.01 . 1 . . . . 52 ILE H . 19191 1 34 . 1 1 4 4 ILE HA H 1 4.01 0.01 . 1 . . . . 52 ILE HA . 19191 1 35 . 1 1 4 4 ILE HB H 1 1.68 0.01 . 1 . . . . 52 ILE HB . 19191 1 36 . 1 1 4 4 ILE HG12 H 1 1.45 0.01 . 2 . . . . 52 ILE HG12 . 19191 1 37 . 1 1 4 4 ILE HG13 H 1 1.10 0.01 . 2 . . . . 52 ILE HG13 . 19191 1 38 . 1 1 4 4 ILE C C 13 175.55 0.01 . 1 . . . . 52 ILE C . 19191 1 39 . 1 1 4 4 ILE CA C 13 61.11 0.01 . 1 . . . . 52 ILE CA . 19191 1 40 . 1 1 4 4 ILE CB C 13 38.52 0.01 . 1 . . . . 52 ILE CB . 19191 1 41 . 1 1 4 4 ILE CG1 C 13 27.46 0.01 . 1 . . . . 52 ILE CG1 . 19191 1 42 . 1 1 4 4 ILE CG2 C 13 17.24 0.01 . 1 . . . . 52 ILE CG2 . 19191 1 43 . 1 1 4 4 ILE CD1 C 13 12.49 0.01 . 1 . . . . 52 ILE CD1 . 19191 1 44 . 1 1 4 4 ILE N N 15 124.42 0.01 . 1 . . . . 52 ILE N . 19191 1 45 . 1 1 5 5 ILE H H 1 8.25 0.01 . 1 . . . . 53 ILE H . 19191 1 46 . 1 1 5 5 ILE HA H 1 4.09 0.01 . 1 . . . . 53 ILE HA . 19191 1 47 . 1 1 5 5 ILE HB H 1 1.76 0.01 . 1 . . . . 53 ILE HB . 19191 1 48 . 1 1 5 5 ILE HG12 H 1 1.40 0.01 . 2 . . . . 53 ILE HG12 . 19191 1 49 . 1 1 5 5 ILE HG13 H 1 1.40 0.01 . 2 . . . . 53 ILE HG13 . 19191 1 50 . 1 1 5 5 ILE C C 13 175.77 0.01 . 1 . . . . 53 ILE C . 19191 1 51 . 1 1 5 5 ILE CA C 13 60.48 0.01 . 1 . . . . 53 ILE CA . 19191 1 52 . 1 1 5 5 ILE CB C 13 38.50 0.01 . 1 . . . . 53 ILE CB . 19191 1 53 . 1 1 5 5 ILE CG1 C 13 27.13 0.01 . 1 . . . . 53 ILE CG1 . 19191 1 54 . 1 1 5 5 ILE CG2 C 13 17.51 0.01 . 1 . . . . 53 ILE CG2 . 19191 1 55 . 1 1 5 5 ILE CD1 C 13 12.26 0.01 . 1 . . . . 53 ILE CD1 . 19191 1 56 . 1 1 5 5 ILE N N 15 126.05 0.01 . 1 . . . . 53 ILE N . 19191 1 57 . 1 1 6 6 TYR H H 1 8.42 0.01 . 1 . . . . 54 TYR H . 19191 1 58 . 1 1 6 6 TYR HA H 1 4.56 0.01 . 1 . . . . 54 TYR HA . 19191 1 59 . 1 1 6 6 TYR HB2 H 1 3.04 0.01 . 2 . . . . 54 TYR HB2 . 19191 1 60 . 1 1 6 6 TYR HB3 H 1 2.86 0.01 . 2 . . . . 54 TYR HB3 . 19191 1 61 . 1 1 6 6 TYR C C 13 175.26 0.01 . 1 . . . . 54 TYR C . 19191 1 62 . 1 1 6 6 TYR CA C 13 57.83 0.01 . 1 . . . . 54 TYR CA . 19191 1 63 . 1 1 6 6 TYR CB C 13 38.99 0.01 . 1 . . . . 54 TYR CB . 19191 1 64 . 1 1 6 6 TYR N N 15 125.81 0.01 . 1 . . . . 54 TYR N . 19191 1 65 . 1 1 7 7 ASP H H 1 8.36 0.01 . 1 . . . . 55 ASP H . 19191 1 66 . 1 1 7 7 ASP HA H 1 4.58 0.01 . 1 . . . . 55 ASP HA . 19191 1 67 . 1 1 7 7 ASP HB2 H 1 2.69 0.01 . 2 . . . . 55 ASP HB2 . 19191 1 68 . 1 1 7 7 ASP HB3 H 1 2.69 0.01 . 2 . . . . 55 ASP HB3 . 19191 1 69 . 1 1 7 7 ASP C C 13 176.13 0.01 . 1 . . . . 55 ASP C . 19191 1 70 . 1 1 7 7 ASP CA C 13 53.96 0.01 . 1 . . . . 55 ASP CA . 19191 1 71 . 1 1 7 7 ASP CB C 13 41.61 0.01 . 1 . . . . 55 ASP CB . 19191 1 72 . 1 1 7 7 ASP N N 15 122.73 0.01 . 1 . . . . 55 ASP N . 19191 1 73 . 1 1 8 8 ARG H H 1 8.42 0.01 . 1 . . . . 56 ARG H . 19191 1 74 . 1 1 8 8 ARG HA H 1 4.14 0.01 . 1 . . . . 56 ARG HA . 19191 1 75 . 1 1 8 8 ARG C C 13 175.82 0.01 . 1 . . . . 56 ARG C . 19191 1 76 . 1 1 8 8 ARG CA C 13 56.39 0.01 . 1 . . . . 56 ARG CA . 19191 1 77 . 1 1 8 8 ARG CB C 13 30.29 0.01 . 1 . . . . 56 ARG CB . 19191 1 78 . 1 1 8 8 ARG CG C 13 27.24 0.01 . 1 . . . . 56 ARG CG . 19191 1 79 . 1 1 8 8 ARG CD C 13 43.35 0.01 . 1 . . . . 56 ARG CD . 19191 1 80 . 1 1 8 8 ARG N N 15 122.38 0.01 . 1 . . . . 56 ARG N . 19191 1 81 . 1 1 9 9 LYS H H 1 8.38 0.01 . 1 . . . . 57 LYS H . 19191 1 82 . 1 1 9 9 LYS HA H 1 4.14 0.01 . 1 . . . . 57 LYS HA . 19191 1 83 . 1 1 9 9 LYS HB2 H 1 2.09 0.01 . 2 . . . . 57 LYS HB2 . 19191 1 84 . 1 1 9 9 LYS HB3 H 1 2.00 0.01 . 2 . . . . 57 LYS HB3 . 19191 1 85 . 1 1 9 9 LYS HD2 H 1 1.72 0.01 . 2 . . . . 57 LYS HD2 . 19191 1 86 . 1 1 9 9 LYS HD3 H 1 1.72 0.01 . 2 . . . . 57 LYS HD3 . 19191 1 87 . 1 1 9 9 LYS C C 13 175.78 0.01 . 1 . . . . 57 LYS C . 19191 1 88 . 1 1 9 9 LYS CA C 13 57.64 0.01 . 1 . . . . 57 LYS CA . 19191 1 89 . 1 1 9 9 LYS CB C 13 32.44 0.01 . 1 . . . . 57 LYS CB . 19191 1 90 . 1 1 9 9 LYS CG C 13 24.55 0.01 . 1 . . . . 57 LYS CG . 19191 1 91 . 1 1 9 9 LYS CD C 13 29.09 0.01 . 1 . . . . 57 LYS CD . 19191 1 92 . 1 1 9 9 LYS N N 15 121.11 0.01 . 1 . . . . 57 LYS N . 19191 1 93 . 1 1 10 10 PHE H H 1 8.12 0.01 . 1 . . . . 58 PHE H . 19191 1 94 . 1 1 10 10 PHE HA H 1 4.53 0.01 . 1 . . . . 58 PHE HA . 19191 1 95 . 1 1 10 10 PHE HB2 H 1 3.18 0.01 . 2 . . . . 58 PHE HB2 . 19191 1 96 . 1 1 10 10 PHE HB3 H 1 3.07 0.01 . 2 . . . . 58 PHE HB3 . 19191 1 97 . 1 1 10 10 PHE C C 13 176.22 0.01 . 1 . . . . 58 PHE C . 19191 1 98 . 1 1 10 10 PHE CA C 13 58.56 0.01 . 1 . . . . 58 PHE CA . 19191 1 99 . 1 1 10 10 PHE CB C 13 39.34 0.01 . 1 . . . . 58 PHE CB . 19191 1 100 . 1 1 10 10 PHE N N 15 120.11 0.01 . 1 . . . . 58 PHE N . 19191 1 101 . 1 1 11 11 LEU H H 1 8.10 0.01 . 1 . . . . 59 LEU H . 19191 1 102 . 1 1 11 11 LEU HA H 1 4.22 0.01 . 1 . . . . 59 LEU HA . 19191 1 103 . 1 1 11 11 LEU HB2 H 1 1.68 0.01 . 2 . . . . 59 LEU HB2 . 19191 1 104 . 1 1 11 11 LEU HB3 H 1 1.68 0.01 . 2 . . . . 59 LEU HB3 . 19191 1 105 . 1 1 11 11 LEU HG H 1 1.56 0.01 . 1 . . . . 59 LEU HG . 19191 1 106 . 1 1 11 11 LEU C C 13 177.67 0.01 . 1 . . . . 59 LEU C . 19191 1 107 . 1 1 11 11 LEU CA C 13 55.82 0.01 . 1 . . . . 59 LEU CA . 19191 1 108 . 1 1 11 11 LEU CB C 13 42.19 0.01 . 1 . . . . 59 LEU CB . 19191 1 109 . 1 1 11 11 LEU CG C 13 24.89 0.01 . 1 . . . . 59 LEU CG . 19191 1 110 . 1 1 11 11 LEU CD1 C 13 23.39 0.01 . 2 . . . . 59 LEU CD1 . 19191 1 111 . 1 1 11 11 LEU CD2 C 13 23.39 0.01 . 2 . . . . 59 LEU CD2 . 19191 1 112 . 1 1 11 11 LEU N N 15 122.07 0.01 . 1 . . . . 59 LEU N . 19191 1 113 . 1 1 12 12 MET H H 1 8.24 0.01 . 1 . . . . 60 MET H . 19191 1 114 . 1 1 12 12 MET HA H 1 4.38 0.01 . 1 . . . . 60 MET HA . 19191 1 115 . 1 1 12 12 MET HB2 H 1 2.08 0.01 . 2 . . . . 60 MET HB2 . 19191 1 116 . 1 1 12 12 MET HB3 H 1 2.08 0.01 . 2 . . . . 60 MET HB3 . 19191 1 117 . 1 1 12 12 MET HG2 H 1 2.58 0.01 . 2 . . . . 60 MET HG2 . 19191 1 118 . 1 1 12 12 MET HG3 H 1 2.58 0.01 . 2 . . . . 60 MET HG3 . 19191 1 119 . 1 1 12 12 MET C C 13 176.71 0.01 . 1 . . . . 60 MET C . 19191 1 120 . 1 1 12 12 MET CA C 13 56.05 0.01 . 1 . . . . 60 MET CA . 19191 1 121 . 1 1 12 12 MET CB C 13 32.63 0.01 . 1 . . . . 60 MET CB . 19191 1 122 . 1 1 12 12 MET CG C 13 32.13 0.01 . 1 . . . . 60 MET CG . 19191 1 123 . 1 1 12 12 MET N N 15 120.06 0.01 . 1 . . . . 60 MET N . 19191 1 124 . 1 1 13 13 GLU H H 1 8.36 0.01 . 1 . . . . 61 GLU H . 19191 1 125 . 1 1 13 13 GLU HA H 1 4.24 0.01 . 1 . . . . 61 GLU HA . 19191 1 126 . 1 1 13 13 GLU HB2 H 1 2.01 0.01 . 2 . . . . 61 GLU HB2 . 19191 1 127 . 1 1 13 13 GLU HB3 H 1 2.01 0.01 . 2 . . . . 61 GLU HB3 . 19191 1 128 . 1 1 13 13 GLU HG2 H 1 2.32 0.01 . 2 . . . . 61 GLU HG2 . 19191 1 129 . 1 1 13 13 GLU HG3 H 1 2.32 0.01 . 2 . . . . 61 GLU HG3 . 19191 1 130 . 1 1 13 13 GLU C C 13 176.73 0.01 . 1 . . . . 61 GLU C . 19191 1 131 . 1 1 13 13 GLU CA C 13 56.98 0.01 . 1 . . . . 61 GLU CA . 19191 1 132 . 1 1 13 13 GLU CB C 13 30.19 0.01 . 1 . . . . 61 GLU CB . 19191 1 133 . 1 1 13 13 GLU CG C 13 36.35 0.01 . 1 . . . . 61 GLU CG . 19191 1 134 . 1 1 13 13 GLU N N 15 121.63 0.01 . 1 . . . . 61 GLU N . 19191 1 135 . 1 1 14 14 CYS H H 1 8.37 0.01 . 1 . . . . 62 CYS H . 19191 1 136 . 1 1 14 14 CYS HA H 1 4.42 0.01 . 1 . . . . 62 CYS HA . 19191 1 137 . 1 1 14 14 CYS HB2 H 1 2.87 0.01 . 2 . . . . 62 CYS HB2 . 19191 1 138 . 1 1 14 14 CYS HB3 H 1 2.87 0.01 . 2 . . . . 62 CYS HB3 . 19191 1 139 . 1 1 14 14 CYS C C 13 174.92 0.01 . 1 . . . . 62 CYS C . 19191 1 140 . 1 1 14 14 CYS CA C 13 59.09 0.01 . 1 . . . . 62 CYS CA . 19191 1 141 . 1 1 14 14 CYS CB C 13 27.69 0.01 . 1 . . . . 62 CYS CB . 19191 1 142 . 1 1 14 14 CYS N N 15 120.21 0.01 . 1 . . . . 62 CYS N . 19191 1 143 . 1 1 15 15 ARG H H 1 8.42 0.01 . 1 . . . . 63 ARG H . 19191 1 144 . 1 1 15 15 ARG HA H 1 4.32 0.01 . 1 . . . . 63 ARG HA . 19191 1 145 . 1 1 15 15 ARG HB2 H 1 1.87 0.01 . 2 . . . . 63 ARG HB2 . 19191 1 146 . 1 1 15 15 ARG HB3 H 1 1.78 0.01 . 2 . . . . 63 ARG HB3 . 19191 1 147 . 1 1 15 15 ARG HG2 H 1 1.63 0.01 . 2 . . . . 63 ARG HG2 . 19191 1 148 . 1 1 15 15 ARG HG3 H 1 1.63 0.01 . 2 . . . . 63 ARG HG3 . 19191 1 149 . 1 1 15 15 ARG C C 13 176.07 0.01 . 1 . . . . 63 ARG C . 19191 1 150 . 1 1 15 15 ARG CA C 13 56.51 0.01 . 1 . . . . 63 ARG CA . 19191 1 151 . 1 1 15 15 ARG CB C 13 30.62 0.01 . 1 . . . . 63 ARG CB . 19191 1 152 . 1 1 15 15 ARG CG C 13 27.08 0.01 . 1 . . . . 63 ARG CG . 19191 1 153 . 1 1 15 15 ARG CD C 13 43.33 0.01 . 1 . . . . 63 ARG CD . 19191 1 154 . 1 1 15 15 ARG N N 15 123.16 0.01 . 1 . . . . 63 ARG N . 19191 1 155 . 1 1 16 16 ASN H H 1 8.44 0.01 . 1 . . . . 64 ASN H . 19191 1 156 . 1 1 16 16 ASN HA H 1 4.74 0.01 . 1 . . . . 64 ASN HA . 19191 1 157 . 1 1 16 16 ASN HB2 H 1 2.83 0.01 . 2 . . . . 64 ASN HB2 . 19191 1 158 . 1 1 16 16 ASN HB3 H 1 2.73 0.01 . 2 . . . . 64 ASN HB3 . 19191 1 159 . 1 1 16 16 ASN C C 13 174.79 0.01 . 1 . . . . 64 ASN C . 19191 1 160 . 1 1 16 16 ASN CA C 13 53.14 0.01 . 1 . . . . 64 ASN CA . 19191 1 161 . 1 1 16 16 ASN CB C 13 38.99 0.01 . 1 . . . . 64 ASN CB . 19191 1 162 . 1 1 16 16 ASN N N 15 119.23 0.01 . 1 . . . . 64 ASN N . 19191 1 163 . 1 1 17 17 SER H H 1 8.26 0.01 . 1 . . . . 65 SER H . 19191 1 164 . 1 1 17 17 SER HA H 1 4.75 0.01 . 1 . . . . 65 SER HA . 19191 1 165 . 1 1 17 17 SER HB2 H 1 3.85 0.01 . 2 . . . . 65 SER HB2 . 19191 1 166 . 1 1 17 17 SER HB3 H 1 3.85 0.01 . 2 . . . . 65 SER HB3 . 19191 1 167 . 1 1 17 17 SER C C 13 172.56 0.01 . 1 . . . . 65 SER C . 19191 1 168 . 1 1 17 17 SER CA C 13 56.55 0.01 . 1 . . . . 65 SER CA . 19191 1 169 . 1 1 17 17 SER CB C 13 63.26 0.01 . 1 . . . . 65 SER CB . 19191 1 170 . 1 1 17 17 SER N N 15 117.53 0.01 . 1 . . . . 65 SER N . 19191 1 171 . 1 1 18 18 PRO HA H 1 4.49 0.01 . 1 . . . . 66 PRO HA . 19191 1 172 . 1 1 18 18 PRO HB2 H 1 2.30 0.01 . 2 . . . . 66 PRO HB2 . 19191 1 173 . 1 1 18 18 PRO HB3 H 1 2.30 0.01 . 2 . . . . 66 PRO HB3 . 19191 1 174 . 1 1 18 18 PRO HG2 H 1 1.98 0.01 . 2 . . . . 66 PRO HG2 . 19191 1 175 . 1 1 18 18 PRO HG3 H 1 1.98 0.01 . 2 . . . . 66 PRO HG3 . 19191 1 176 . 1 1 18 18 PRO HD2 H 1 3.72 0.01 . 2 . . . . 66 PRO HD2 . 19191 1 177 . 1 1 18 18 PRO HD3 H 1 3.72 0.01 . 2 . . . . 66 PRO HD3 . 19191 1 178 . 1 1 18 18 PRO C C 13 176.90 0.01 . 1 . . . . 66 PRO C . 19191 1 179 . 1 1 18 18 PRO CA C 13 63.23 0.01 . 1 . . . . 66 PRO CA . 19191 1 180 . 1 1 18 18 PRO CB C 13 32.06 0.01 . 1 . . . . 66 PRO CB . 19191 1 181 . 1 1 18 18 PRO CG C 13 27.33 0.01 . 1 . . . . 66 PRO CG . 19191 1 182 . 1 1 18 18 PRO CD C 13 51.14 0.01 . 1 . . . . 66 PRO CD . 19191 1 183 . 1 1 19 19 VAL H H 1 8.36 0.01 . 1 . . . . 67 VAL H . 19191 1 184 . 1 1 19 19 VAL HA H 1 4.13 0.01 . 1 . . . . 67 VAL HA . 19191 1 185 . 1 1 19 19 VAL HB H 1 2.07 0.01 . 1 . . . . 67 VAL HB . 19191 1 186 . 1 1 19 19 VAL C C 13 176.49 0.01 . 1 . . . . 67 VAL C . 19191 1 187 . 1 1 19 19 VAL CA C 13 62.49 0.01 . 1 . . . . 67 VAL CA . 19191 1 188 . 1 1 19 19 VAL CB C 13 32.67 0.01 . 1 . . . . 67 VAL CB . 19191 1 189 . 1 1 19 19 VAL CG1 C 13 20.84 0.01 . 2 . . . . 67 VAL CG1 . 19191 1 190 . 1 1 19 19 VAL CG2 C 13 20.84 0.01 . 2 . . . . 67 VAL CG2 . 19191 1 191 . 1 1 19 19 VAL N N 15 120.76 0.01 . 1 . . . . 67 VAL N . 19191 1 192 . 1 1 20 20 THR H H 1 8.34 0.01 . 1 . . . . 68 THR H . 19191 1 193 . 1 1 20 20 THR HA H 1 4.34 0.01 . 1 . . . . 68 THR HA . 19191 1 194 . 1 1 20 20 THR HB H 1 4.17 0.01 . 1 . . . . 68 THR HB . 19191 1 195 . 1 1 20 20 THR HG21 H 1 1.20 0.01 . 1 . . . . 68 THR HG1 . 19191 1 196 . 1 1 20 20 THR HG22 H 1 1.20 0.01 . 1 . . . . 68 THR HG1 . 19191 1 197 . 1 1 20 20 THR HG23 H 1 1.20 0.01 . 1 . . . . 68 THR HG1 . 19191 1 198 . 1 1 20 20 THR C C 13 174.20 0.01 . 1 . . . . 68 THR C . 19191 1 199 . 1 1 20 20 THR CA C 13 61.80 0.01 . 1 . . . . 68 THR CA . 19191 1 200 . 1 1 20 20 THR CB C 13 69.81 0.01 . 1 . . . . 68 THR CB . 19191 1 201 . 1 1 20 20 THR CG2 C 13 21.54 0.01 . 1 . . . . 68 THR CG2 . 19191 1 202 . 1 1 20 20 THR N N 15 119.25 0.01 . 1 . . . . 68 THR N . 19191 1 203 . 1 1 21 21 LYS H H 1 8.52 0.01 . 1 . . . . 69 LYS H . 19191 1 204 . 1 1 21 21 LYS HA H 1 4.39 0.01 . 1 . . . . 69 LYS HA . 19191 1 205 . 1 1 21 21 LYS HB2 H 1 1.84 0.01 . 2 . . . . 69 LYS HB2 . 19191 1 206 . 1 1 21 21 LYS HB3 H 1 1.84 0.01 . 2 . . . . 69 LYS HB3 . 19191 1 207 . 1 1 21 21 LYS HG2 H 1 1.42 0.01 . 2 . . . . 69 LYS HG2 . 19191 1 208 . 1 1 21 21 LYS HG3 H 1 1.42 0.01 . 2 . . . . 69 LYS HG3 . 19191 1 209 . 1 1 21 21 LYS HD2 H 1 2.97 0.01 . 2 . . . . 69 LYS HD2 . 19191 1 210 . 1 1 21 21 LYS HD3 H 1 2.97 0.01 . 2 . . . . 69 LYS HD3 . 19191 1 211 . 1 1 21 21 LYS C C 13 176.33 0.01 . 1 . . . . 69 LYS C . 19191 1 212 . 1 1 21 21 LYS CA C 13 56.15 0.01 . 1 . . . . 69 LYS CA . 19191 1 213 . 1 1 21 21 LYS CB C 13 33.11 0.01 . 1 . . . . 69 LYS CB . 19191 1 214 . 1 1 21 21 LYS CG C 13 24.56 0.01 . 1 . . . . 69 LYS CG . 19191 1 215 . 1 1 21 21 LYS CD C 13 29.07 0.01 . 1 . . . . 69 LYS CD . 19191 1 216 . 1 1 21 21 LYS N N 15 124.87 0.01 . 1 . . . . 69 LYS N . 19191 1 217 . 1 1 22 22 THR H H 1 8.40 0.01 . 1 . . . . 70 THR H . 19191 1 218 . 1 1 22 22 THR HA H 1 4.55 0.01 . 1 . . . . 70 THR HA . 19191 1 219 . 1 1 22 22 THR HB H 1 4.09 0.01 . 1 . . . . 70 THR HB . 19191 1 220 . 1 1 22 22 THR HG21 H 1 1.25 0.01 . 1 . . . . 70 THR HG1 . 19191 1 221 . 1 1 22 22 THR HG22 H 1 1.25 0.01 . 1 . . . . 70 THR HG1 . 19191 1 222 . 1 1 22 22 THR HG23 H 1 1.25 0.01 . 1 . . . . 70 THR HG1 . 19191 1 223 . 1 1 22 22 THR C C 13 172.27 0.01 . 1 . . . . 70 THR C . 19191 1 224 . 1 1 22 22 THR CA C 13 60.02 0.01 . 1 . . . . 70 THR CA . 19191 1 225 . 1 1 22 22 THR CB C 13 69.70 0.01 . 1 . . . . 70 THR CB . 19191 1 226 . 1 1 22 22 THR N N 15 119.47 0.01 . 1 . . . . 70 THR N . 19191 1 227 . 1 1 24 24 PRO HA H 1 4.42 0.01 . 1 . . . . 72 PRO HA . 19191 1 228 . 1 1 24 24 PRO HB2 H 1 2.31 0.01 . 2 . . . . 72 PRO HB2 . 19191 1 229 . 1 1 24 24 PRO HB3 H 1 2.31 0.01 . 2 . . . . 72 PRO HB3 . 19191 1 230 . 1 1 24 24 PRO HG2 H 1 2.01 0.01 . 2 . . . . 72 PRO HG2 . 19191 1 231 . 1 1 24 24 PRO HG3 H 1 2.01 0.01 . 2 . . . . 72 PRO HG3 . 19191 1 232 . 1 1 24 24 PRO HD2 H 1 3.78 0.01 . 2 . . . . 72 PRO HD2 . 19191 1 233 . 1 1 24 24 PRO HD3 H 1 3.78 0.01 . 2 . . . . 72 PRO HD3 . 19191 1 234 . 1 1 24 24 PRO C C 13 176.85 0.01 . 1 . . . . 72 PRO C . 19191 1 235 . 1 1 24 24 PRO CA C 13 62.99 0.01 . 1 . . . . 72 PRO CA . 19191 1 236 . 1 1 24 24 PRO CB C 13 32.13 0.01 . 1 . . . . 72 PRO CB . 19191 1 237 . 1 1 24 24 PRO CG C 13 27.47 0.01 . 1 . . . . 72 PRO CG . 19191 1 238 . 1 1 24 24 PRO CD C 13 50.69 0.01 . 1 . . . . 72 PRO CD . 19191 1 239 . 1 1 25 25 ARG H H 1 8.51 0.01 . 1 . . . . 73 ARG H . 19191 1 240 . 1 1 25 25 ARG HA H 1 4.29 0.01 . 1 . . . . 73 ARG HA . 19191 1 241 . 1 1 25 25 ARG HB2 H 1 1.76 0.01 . 2 . . . . 73 ARG HB2 . 19191 1 242 . 1 1 25 25 ARG HB3 H 1 1.76 0.01 . 2 . . . . 73 ARG HB3 . 19191 1 243 . 1 1 25 25 ARG HG2 H 1 1.65 0.01 . 2 . . . . 73 ARG HG2 . 19191 1 244 . 1 1 25 25 ARG HG3 H 1 1.65 0.01 . 2 . . . . 73 ARG HG3 . 19191 1 245 . 1 1 25 25 ARG HD2 H 1 3.19 0.01 . 2 . . . . 73 ARG HD2 . 19191 1 246 . 1 1 25 25 ARG HD3 H 1 3.19 0.01 . 2 . . . . 73 ARG HD3 . 19191 1 247 . 1 1 25 25 ARG C C 13 175.95 0.01 . 1 . . . . 73 ARG C . 19191 1 248 . 1 1 25 25 ARG CA C 13 56.02 0.01 . 1 . . . . 73 ARG CA . 19191 1 249 . 1 1 25 25 ARG CB C 13 31.00 0.01 . 1 . . . . 73 ARG CB . 19191 1 250 . 1 1 25 25 ARG CG C 13 43.35 0.01 . 1 . . . . 73 ARG CG . 19191 1 251 . 1 1 25 25 ARG N N 15 121.13 0.01 . 1 . . . . 73 ARG N . 19191 1 252 . 1 1 26 26 ASP H H 1 8.43 0.01 . 1 . . . . 74 ASP H . 19191 1 253 . 1 1 26 26 ASP HA H 1 4.59 0.01 . 1 . . . . 74 ASP HA . 19191 1 254 . 1 1 26 26 ASP HB2 H 1 2.67 0.01 . 2 . . . . 74 ASP HB2 . 19191 1 255 . 1 1 26 26 ASP HB3 H 1 2.55 0.01 . 2 . . . . 74 ASP HB3 . 19191 1 256 . 1 1 26 26 ASP C C 13 175.65 0.01 . 1 . . . . 74 ASP C . 19191 1 257 . 1 1 26 26 ASP CA C 13 54.15 0.01 . 1 . . . . 74 ASP CA . 19191 1 258 . 1 1 26 26 ASP CB C 13 41.09 0.01 . 1 . . . . 74 ASP CB . 19191 1 259 . 1 1 26 26 ASP N N 15 121.08 0.01 . 1 . . . . 74 ASP N . 19191 1 260 . 1 1 27 27 LEU H H 1 8.22 0.01 . 1 . . . . 75 LEU H . 19191 1 261 . 1 1 27 27 LEU HA H 1 4.61 0.01 . 1 . . . . 75 LEU HA . 19191 1 262 . 1 1 27 27 LEU HB2 H 1 1.59 0.01 . 2 . . . . 75 LEU HB2 . 19191 1 263 . 1 1 27 27 LEU HB3 H 1 1.59 0.01 . 2 . . . . 75 LEU HB3 . 19191 1 264 . 1 1 27 27 LEU C C 13 175.18 0.01 . 1 . . . . 75 LEU C . 19191 1 265 . 1 1 27 27 LEU CA C 13 53.04 0.01 . 1 . . . . 75 LEU CA . 19191 1 266 . 1 1 27 27 LEU CB C 13 41.81 0.01 . 1 . . . . 75 LEU CB . 19191 1 267 . 1 1 27 27 LEU N N 15 123.75 0.01 . 1 . . . . 75 LEU N . 19191 1 268 . 1 1 28 28 PRO HA H 1 4.49 0.01 . 1 . . . . 76 PRO HA . 19191 1 269 . 1 1 28 28 PRO HB2 H 1 2.31 0.01 . 2 . . . . 76 PRO HB2 . 19191 1 270 . 1 1 28 28 PRO HB3 H 1 2.31 0.01 . 2 . . . . 76 PRO HB3 . 19191 1 271 . 1 1 28 28 PRO HG2 H 1 1.90 0.01 . 2 . . . . 76 PRO HG2 . 19191 1 272 . 1 1 28 28 PRO HG3 H 1 1.90 0.01 . 2 . . . . 76 PRO HG3 . 19191 1 273 . 1 1 28 28 PRO HD2 H 1 3.73 0.01 . 2 . . . . 76 PRO HD2 . 19191 1 274 . 1 1 28 28 PRO HD3 H 1 3.73 0.01 . 2 . . . . 76 PRO HD3 . 19191 1 275 . 1 1 28 28 PRO C C 13 176.92 0.01 . 1 . . . . 76 PRO C . 19191 1 276 . 1 1 28 28 PRO CA C 13 62.99 0.01 . 1 . . . . 76 PRO CA . 19191 1 277 . 1 1 28 28 PRO CB C 13 32.21 0.01 . 1 . . . . 76 PRO CB . 19191 1 278 . 1 1 28 28 PRO CG C 13 27.34 0.01 . 1 . . . . 76 PRO CG . 19191 1 279 . 1 1 28 28 PRO CD C 13 50.66 0.01 . 1 . . . . 76 PRO CD . 19191 1 280 . 1 1 29 29 THR H H 1 8.39 0.01 . 1 . . . . 77 THR H . 19191 1 281 . 1 1 29 29 THR HA H 1 4.27 0.01 . 1 . . . . 77 THR HA . 19191 1 282 . 1 1 29 29 THR HB H 1 4.12 0.01 . 1 . . . . 77 THR HB . 19191 1 283 . 1 1 29 29 THR HG21 H 1 1.19 0.01 . 1 . . . . 77 THR HG1 . 19191 1 284 . 1 1 29 29 THR HG22 H 1 1.19 0.01 . 1 . . . . 77 THR HG1 . 19191 1 285 . 1 1 29 29 THR HG23 H 1 1.19 0.01 . 1 . . . . 77 THR HG1 . 19191 1 286 . 1 1 29 29 THR C C 13 174.33 0.01 . 1 . . . . 77 THR C . 19191 1 287 . 1 1 29 29 THR CA C 13 61.97 0.01 . 1 . . . . 77 THR CA . 19191 1 288 . 1 1 29 29 THR CB C 13 69.90 0.01 . 1 . . . . 77 THR CB . 19191 1 289 . 1 1 29 29 THR CG2 C 13 21.74 0.01 . 1 . . . . 77 THR CG2 . 19191 1 290 . 1 1 29 29 THR N N 15 115.73 0.01 . 1 . . . . 77 THR N . 19191 1 291 . 1 1 30 30 ILE H H 1 8.40 0.01 . 1 . . . . 78 ILE H . 19191 1 292 . 1 1 30 30 ILE HA H 1 4.51 0.01 . 1 . . . . 78 ILE HA . 19191 1 293 . 1 1 30 30 ILE HB H 1 1.87 0.01 . 1 . . . . 78 ILE HB . 19191 1 294 . 1 1 30 30 ILE HG12 H 1 1.50 0.01 . 2 . . . . 78 ILE HG12 . 19191 1 295 . 1 1 30 30 ILE HG13 H 1 1.50 0.01 . 2 . . . . 78 ILE HG13 . 19191 1 296 . 1 1 30 30 ILE C C 13 174.36 0.01 . 1 . . . . 78 ILE C . 19191 1 297 . 1 1 30 30 ILE CA C 13 58.47 0.01 . 1 . . . . 78 ILE CA . 19191 1 298 . 1 1 30 30 ILE CB C 13 38.88 0.01 . 1 . . . . 78 ILE CB . 19191 1 299 . 1 1 30 30 ILE N N 15 125.70 0.01 . 1 . . . . 78 ILE N . 19191 1 300 . 1 1 31 31 PRO HA H 1 4.39 0.01 . 1 . . . . 79 PRO HA . 19191 1 301 . 1 1 31 31 PRO HB2 H 1 2.27 0.01 . 2 . . . . 79 PRO HB2 . 19191 1 302 . 1 1 31 31 PRO HB3 H 1 2.27 0.01 . 2 . . . . 79 PRO HB3 . 19191 1 303 . 1 1 31 31 PRO HG2 H 1 1.99 0.01 . 2 . . . . 79 PRO HG2 . 19191 1 304 . 1 1 31 31 PRO HG3 H 1 1.99 0.01 . 2 . . . . 79 PRO HG3 . 19191 1 305 . 1 1 31 31 PRO HD2 H 1 3.85 0.01 . 2 . . . . 79 PRO HD2 . 19191 1 306 . 1 1 31 31 PRO HD3 H 1 3.85 0.01 . 2 . . . . 79 PRO HD3 . 19191 1 307 . 1 1 31 31 PRO C C 13 177.44 0.01 . 1 . . . . 79 PRO C . 19191 1 308 . 1 1 31 31 PRO CA C 13 63.50 0.01 . 1 . . . . 79 PRO CA . 19191 1 309 . 1 1 31 31 PRO CB C 13 32.18 0.01 . 1 . . . . 79 PRO CB . 19191 1 310 . 1 1 31 31 PRO CG C 13 27.40 0.01 . 1 . . . . 79 PRO CG . 19191 1 311 . 1 1 31 31 PRO CD C 13 51.37 0.01 . 1 . . . . 79 PRO CD . 19191 1 312 . 1 1 32 32 GLY H H 1 8.58 0.01 . 1 . . . . 80 GLY H . 19191 1 313 . 1 1 32 32 GLY HA2 H 1 3.97 0.01 . 2 . . . . 80 GLY HA2 . 19191 1 314 . 1 1 32 32 GLY HA3 H 1 3.97 0.01 . 2 . . . . 80 GLY HA3 . 19191 1 315 . 1 1 32 32 GLY C C 13 174.03 0.01 . 1 . . . . 80 GLY C . 19191 1 316 . 1 1 32 32 GLY CA C 13 45.19 0.01 . 1 . . . . 80 GLY CA . 19191 1 317 . 1 1 32 32 GLY N N 15 109.96 0.01 . 1 . . . . 80 GLY N . 19191 1 318 . 1 1 33 33 VAL H H 1 8.10 0.01 . 1 . . . . 81 VAL H . 19191 1 319 . 1 1 33 33 VAL HA H 1 4.22 0.01 . 1 . . . . 81 VAL HA . 19191 1 320 . 1 1 33 33 VAL HB H 1 2.09 0.01 . 1 . . . . 81 VAL HB . 19191 1 321 . 1 1 33 33 VAL HG11 H 1 0.94 0.01 . 2 . . . . 81 VAL MG1 . 19191 1 322 . 1 1 33 33 VAL HG12 H 1 0.94 0.01 . 2 . . . . 81 VAL MG1 . 19191 1 323 . 1 1 33 33 VAL HG13 H 1 0.94 0.01 . 2 . . . . 81 VAL MG1 . 19191 1 324 . 1 1 33 33 VAL HG21 H 1 0.94 0.01 . 2 . . . . 81 VAL MG2 . 19191 1 325 . 1 1 33 33 VAL HG22 H 1 0.94 0.01 . 2 . . . . 81 VAL MG2 . 19191 1 326 . 1 1 33 33 VAL HG23 H 1 0.94 0.01 . 2 . . . . 81 VAL MG2 . 19191 1 327 . 1 1 33 33 VAL C C 13 176.50 0.01 . 1 . . . . 81 VAL C . 19191 1 328 . 1 1 33 33 VAL CA C 13 62.39 0.01 . 1 . . . . 81 VAL CA . 19191 1 329 . 1 1 33 33 VAL CB C 13 32.99 0.01 . 1 . . . . 81 VAL CB . 19191 1 330 . 1 1 33 33 VAL CG1 C 13 20.80 0.01 . 2 . . . . 81 VAL CG1 . 19191 1 331 . 1 1 33 33 VAL CG2 C 13 20.80 0.01 . 2 . . . . 81 VAL CG2 . 19191 1 332 . 1 1 33 33 VAL N N 15 120.03 0.01 . 1 . . . . 81 VAL N . 19191 1 333 . 1 1 34 34 THR H H 1 8.47 0.01 . 1 . . . . 82 THR H . 19191 1 334 . 1 1 34 34 THR HA H 1 4.40 0.01 . 1 . . . . 82 THR HA . 19191 1 335 . 1 1 34 34 THR HB H 1 4.18 0.01 . 1 . . . . 82 THR HB . 19191 1 336 . 1 1 34 34 THR HG21 H 1 1.21 0.01 . 1 . . . . 82 THR HG1 . 19191 1 337 . 1 1 34 34 THR HG22 H 1 1.21 0.01 . 1 . . . . 82 THR HG1 . 19191 1 338 . 1 1 34 34 THR HG23 H 1 1.21 0.01 . 1 . . . . 82 THR HG1 . 19191 1 339 . 1 1 34 34 THR C C 13 174.23 0.01 . 1 . . . . 82 THR C . 19191 1 340 . 1 1 34 34 THR CA C 13 61.75 0.01 . 1 . . . . 82 THR CA . 19191 1 341 . 1 1 34 34 THR CB C 13 69.94 0.01 . 1 . . . . 82 THR CB . 19191 1 342 . 1 1 34 34 THR CG2 C 13 21.64 0.01 . 1 . . . . 82 THR CG2 . 19191 1 343 . 1 1 34 34 THR N N 15 118.89 0.01 . 1 . . . . 82 THR N . 19191 1 344 . 1 1 35 35 SER H H 1 8.55 0.01 . 1 . . . . 83 SER H . 19191 1 345 . 1 1 35 35 SER HA H 1 4.79 0.01 . 1 . . . . 83 SER HA . 19191 1 346 . 1 1 35 35 SER HB2 H 1 3.85 0.01 . 2 . . . . 83 SER HB2 . 19191 1 347 . 1 1 35 35 SER HB3 H 1 3.85 0.01 . 2 . . . . 83 SER HB3 . 19191 1 348 . 1 1 35 35 SER C C 13 172.50 0.01 . 1 . . . . 83 SER C . 19191 1 349 . 1 1 35 35 SER CA C 13 56.45 0.01 . 1 . . . . 83 SER CA . 19191 1 350 . 1 1 35 35 SER CB C 13 63.26 0.01 . 1 . . . . 83 SER CB . 19191 1 351 . 1 1 35 35 SER N N 15 120.43 0.01 . 1 . . . . 83 SER N . 19191 1 352 . 1 1 36 36 PRO HA H 1 4.49 0.01 . 1 . . . . 84 PRO HA . 19191 1 353 . 1 1 36 36 PRO HB2 H 1 2.32 0.01 . 2 . . . . 84 PRO HB2 . 19191 1 354 . 1 1 36 36 PRO HB3 H 1 2.32 0.01 . 2 . . . . 84 PRO HB3 . 19191 1 355 . 1 1 36 36 PRO HG2 H 1 2.01 0.01 . 2 . . . . 84 PRO HG2 . 19191 1 356 . 1 1 36 36 PRO HG3 H 1 2.01 0.01 . 2 . . . . 84 PRO HG3 . 19191 1 357 . 1 1 36 36 PRO HD2 H 1 3.79 0.01 . 2 . . . . 84 PRO HD2 . 19191 1 358 . 1 1 36 36 PRO HD3 H 1 3.79 0.01 . 2 . . . . 84 PRO HD3 . 19191 1 359 . 1 1 36 36 PRO C C 13 176.99 0.01 . 1 . . . . 84 PRO C . 19191 1 360 . 1 1 36 36 PRO CA C 13 63.30 0.01 . 1 . . . . 84 PRO CA . 19191 1 361 . 1 1 36 36 PRO CB C 13 32.19 0.01 . 1 . . . . 84 PRO CB . 19191 1 362 . 1 1 36 36 PRO CG C 13 27.37 0.01 . 1 . . . . 84 PRO CG . 19191 1 363 . 1 1 36 36 PRO CD C 13 51.02 0.01 . 1 . . . . 84 PRO CD . 19191 1 364 . 1 1 37 37 SER H H 1 8.58 0.01 . 1 . . . . 85 SER H . 19191 1 365 . 1 1 37 37 SER HA H 1 4.48 0.01 . 1 . . . . 85 SER HA . 19191 1 366 . 1 1 37 37 SER HB2 H 1 3.89 0.01 . 2 . . . . 85 SER HB2 . 19191 1 367 . 1 1 37 37 SER HB3 H 1 3.89 0.01 . 2 . . . . 85 SER HB3 . 19191 1 368 . 1 1 37 37 SER C C 13 174.73 0.01 . 1 . . . . 85 SER C . 19191 1 369 . 1 1 37 37 SER CA C 13 58.34 0.01 . 1 . . . . 85 SER CA . 19191 1 370 . 1 1 37 37 SER CB C 13 63.78 0.01 . 1 . . . . 85 SER CB . 19191 1 371 . 1 1 37 37 SER N N 15 116.59 0.01 . 1 . . . . 85 SER N . 19191 1 372 . 1 1 38 38 SER H H 1 8.51 0.01 . 1 . . . . 86 SER H . 19191 1 373 . 1 1 38 38 SER HA H 1 4.49 0.01 . 1 . . . . 86 SER HA . 19191 1 374 . 1 1 38 38 SER HB2 H 1 3.92 0.01 . 2 . . . . 86 SER HB2 . 19191 1 375 . 1 1 38 38 SER HB3 H 1 3.86 0.01 . 2 . . . . 86 SER HB3 . 19191 1 376 . 1 1 38 38 SER C C 13 174.13 0.01 . 1 . . . . 86 SER C . 19191 1 377 . 1 1 38 38 SER CA C 13 58.36 0.01 . 1 . . . . 86 SER CA . 19191 1 378 . 1 1 38 38 SER CB C 13 63.85 0.01 . 1 . . . . 86 SER CB . 19191 1 379 . 1 1 38 38 SER N N 15 118.02 0.01 . 1 . . . . 86 SER N . 19191 1 380 . 1 1 39 39 ASP H H 1 8.42 0.01 . 1 . . . . 87 ASP H . 19191 1 381 . 1 1 39 39 ASP HA H 1 4.64 0.01 . 1 . . . . 87 ASP HA . 19191 1 382 . 1 1 39 39 ASP HB2 H 1 2.70 0.01 . 2 . . . . 87 ASP HB2 . 19191 1 383 . 1 1 39 39 ASP HB3 H 1 2.57 0.01 . 2 . . . . 87 ASP HB3 . 19191 1 384 . 1 1 39 39 ASP C C 13 176.86 0.01 . 1 . . . . 87 ASP C . 19191 1 385 . 1 1 39 39 ASP CA C 13 54.25 0.01 . 1 . . . . 87 ASP CA . 19191 1 386 . 1 1 39 39 ASP CB C 13 41.11 0.01 . 1 . . . . 87 ASP CB . 19191 1 387 . 1 1 39 39 ASP N N 15 122.38 0.01 . 1 . . . . 87 ASP N . 19191 1 388 . 1 1 40 40 GLU H H 1 8.26 0.01 . 1 . . . . 88 GLU H . 19191 1 389 . 1 1 40 40 GLU HA H 1 4.57 0.01 . 1 . . . . 88 GLU HA . 19191 1 390 . 1 1 40 40 GLU HB2 H 1 2.01 0.01 . 2 . . . . 88 GLU HB2 . 19191 1 391 . 1 1 40 40 GLU HB3 H 1 1.87 0.01 . 2 . . . . 88 GLU HB3 . 19191 1 392 . 1 1 40 40 GLU HG2 H 1 2.29 0.01 . 2 . . . . 88 GLU HG2 . 19191 1 393 . 1 1 40 40 GLU HG3 H 1 2.29 0.01 . 2 . . . . 88 GLU HG3 . 19191 1 394 . 1 1 40 40 GLU C C 13 174.01 0.01 . 1 . . . . 88 GLU C . 19191 1 395 . 1 1 40 40 GLU CA C 13 54.33 0.01 . 1 . . . . 88 GLU CA . 19191 1 396 . 1 1 40 40 GLU CB C 13 29.79 0.01 . 1 . . . . 88 GLU CB . 19191 1 397 . 1 1 40 40 GLU N N 15 122.40 0.01 . 1 . . . . 88 GLU N . 19191 1 398 . 1 1 42 42 PRO HA H 1 4.43 0.01 . 1 . . . . 90 PRO HA . 19191 1 399 . 1 1 42 42 PRO HB2 H 1 2.31 0.01 . 2 . . . . 90 PRO HB2 . 19191 1 400 . 1 1 42 42 PRO HB3 H 1 2.31 0.01 . 2 . . . . 90 PRO HB3 . 19191 1 401 . 1 1 42 42 PRO HG2 H 1 1.92 0.01 . 2 . . . . 90 PRO HG2 . 19191 1 402 . 1 1 42 42 PRO HG3 H 1 1.92 0.01 . 2 . . . . 90 PRO HG3 . 19191 1 403 . 1 1 42 42 PRO C C 13 177.04 0.01 . 1 . . . . 90 PRO C . 19191 1 404 . 1 1 42 42 PRO CA C 13 62.80 0.01 . 1 . . . . 90 PRO CA . 19191 1 405 . 1 1 42 42 PRO CB C 13 32.07 0.01 . 1 . . . . 90 PRO CB . 19191 1 406 . 1 1 42 42 PRO CG C 13 27.40 0.01 . 1 . . . . 90 PRO CG . 19191 1 407 . 1 1 42 42 PRO CD C 13 50.50 0.01 . 1 . . . . 90 PRO CD . 19191 1 408 . 1 1 43 43 MET H H 1 8.61 0.01 . 1 . . . . 91 MET H . 19191 1 409 . 1 1 43 43 MET HA H 1 4.41 0.01 . 1 . . . . 91 MET HA . 19191 1 410 . 1 1 43 43 MET HB2 H 1 2.03 0.01 . 2 . . . . 91 MET HB2 . 19191 1 411 . 1 1 43 43 MET HB3 H 1 2.03 0.01 . 2 . . . . 91 MET HB3 . 19191 1 412 . 1 1 43 43 MET HG2 H 1 2.59 0.01 . 2 . . . . 91 MET HG2 . 19191 1 413 . 1 1 43 43 MET HG3 H 1 2.59 0.01 . 2 . . . . 91 MET HG3 . 19191 1 414 . 1 1 43 43 MET C C 13 176.51 0.01 . 1 . . . . 91 MET C . 19191 1 415 . 1 1 43 43 MET CA C 13 55.74 0.01 . 1 . . . . 91 MET CA . 19191 1 416 . 1 1 43 43 MET CB C 13 33.10 0.01 . 1 . . . . 91 MET CB . 19191 1 417 . 1 1 43 43 MET CG C 13 31.95 0.01 . 1 . . . . 91 MET CG . 19191 1 418 . 1 1 43 43 MET N N 15 121.43 0.01 . 1 . . . . 91 MET N . 19191 1 419 . 1 1 44 44 GLU H H 1 8.63 0.01 . 1 . . . . 92 GLU H . 19191 1 420 . 1 1 44 44 GLU HA H 1 4.26 0.01 . 1 . . . . 92 GLU HA . 19191 1 421 . 1 1 44 44 GLU HB2 H 1 2.06 0.01 . 2 . . . . 92 GLU HB2 . 19191 1 422 . 1 1 44 44 GLU HB3 H 1 1.95 0.01 . 2 . . . . 92 GLU HB3 . 19191 1 423 . 1 1 44 44 GLU HG2 H 1 2.29 0.01 . 2 . . . . 92 GLU HG2 . 19191 1 424 . 1 1 44 44 GLU HG3 H 1 2.29 0.01 . 2 . . . . 92 GLU HG3 . 19191 1 425 . 1 1 44 44 GLU C C 13 176.51 0.01 . 1 . . . . 92 GLU C . 19191 1 426 . 1 1 44 44 GLU CA C 13 56.65 0.01 . 1 . . . . 92 GLU CA . 19191 1 427 . 1 1 44 44 GLU CB C 13 30.25 0.01 . 1 . . . . 92 GLU CB . 19191 1 428 . 1 1 44 44 GLU CG C 13 36.20 0.01 . 1 . . . . 92 GLU CG . 19191 1 429 . 1 1 44 44 GLU N N 15 122.97 0.01 . 1 . . . . 92 GLU N . 19191 1 430 . 1 1 45 45 ALA H H 1 8.55 0.01 . 1 . . . . 93 ALA H . 19191 1 431 . 1 1 45 45 ALA HA H 1 4.30 0.01 . 1 . . . . 93 ALA HA . 19191 1 432 . 1 1 45 45 ALA HB1 H 1 1.42 0.01 . 1 . . . . 93 ALA MB . 19191 1 433 . 1 1 45 45 ALA HB2 H 1 1.42 0.01 . 1 . . . . 93 ALA MB . 19191 1 434 . 1 1 45 45 ALA HB3 H 1 1.42 0.01 . 1 . . . . 93 ALA MB . 19191 1 435 . 1 1 45 45 ALA C C 13 178.21 0.01 . 1 . . . . 93 ALA C . 19191 1 436 . 1 1 45 45 ALA CA C 13 53.02 0.01 . 1 . . . . 93 ALA CA . 19191 1 437 . 1 1 45 45 ALA CB C 13 19.03 0.01 . 1 . . . . 93 ALA CB . 19191 1 438 . 1 1 45 45 ALA N N 15 125.74 0.01 . 1 . . . . 93 ALA N . 19191 1 439 . 1 1 46 46 SER H H 1 8.41 0.01 . 1 . . . . 94 SER H . 19191 1 440 . 1 1 46 46 SER HA H 1 4.38 0.01 . 1 . . . . 94 SER HA . 19191 1 441 . 1 1 46 46 SER HB2 H 1 3.91 0.01 . 2 . . . . 94 SER HB2 . 19191 1 442 . 1 1 46 46 SER HB3 H 1 3.91 0.01 . 2 . . . . 94 SER HB3 . 19191 1 443 . 1 1 46 46 SER C C 13 175.06 0.01 . 1 . . . . 94 SER C . 19191 1 444 . 1 1 46 46 SER CA C 13 58.80 0.01 . 1 . . . . 94 SER CA . 19191 1 445 . 1 1 46 46 SER CB C 13 63.52 0.01 . 1 . . . . 94 SER CB . 19191 1 446 . 1 1 46 46 SER N N 15 114.88 0.01 . 1 . . . . 94 SER N . 19191 1 447 . 1 1 47 47 GLN H H 1 8.43 0.01 . 1 . . . . 95 GLN H . 19191 1 448 . 1 1 47 47 GLN HA H 1 4.35 0.01 . 1 . . . . 95 GLN HA . 19191 1 449 . 1 1 47 47 GLN HB2 H 1 2.17 0.01 . 2 . . . . 95 GLN HB2 . 19191 1 450 . 1 1 47 47 GLN HB3 H 1 1.98 0.01 . 2 . . . . 95 GLN HB3 . 19191 1 451 . 1 1 47 47 GLN HG2 H 1 2.38 0.01 . 2 . . . . 95 GLN HG2 . 19191 1 452 . 1 1 47 47 GLN HG3 H 1 2.38 0.01 . 2 . . . . 95 GLN HG3 . 19191 1 453 . 1 1 47 47 GLN C C 13 176.26 0.01 . 1 . . . . 95 GLN C . 19191 1 454 . 1 1 47 47 GLN CA C 13 55.93 0.01 . 1 . . . . 95 GLN CA . 19191 1 455 . 1 1 47 47 GLN CB C 13 29.28 0.01 . 1 . . . . 95 GLN CB . 19191 1 456 . 1 1 47 47 GLN CG C 13 33.83 0.01 . 1 . . . . 95 GLN CG . 19191 1 457 . 1 1 47 47 GLN N N 15 121.79 0.01 . 1 . . . . 95 GLN N . 19191 1 458 . 1 1 48 48 SER H H 1 8.31 0.01 . 1 . . . . 96 SER H . 19191 1 459 . 1 1 48 48 SER HA H 1 4.34 0.01 . 1 . . . . 96 SER HA . 19191 1 460 . 1 1 48 48 SER HB2 H 1 3.84 0.01 . 2 . . . . 96 SER HB2 . 19191 1 461 . 1 1 48 48 SER HB3 H 1 3.84 0.01 . 2 . . . . 96 SER HB3 . 19191 1 462 . 1 1 48 48 SER C C 13 174.60 0.01 . 1 . . . . 96 SER C . 19191 1 463 . 1 1 48 48 SER CA C 13 58.89 0.01 . 1 . . . . 96 SER CA . 19191 1 464 . 1 1 48 48 SER CB C 13 63.59 0.01 . 1 . . . . 96 SER CB . 19191 1 465 . 1 1 48 48 SER N N 15 116.36 0.01 . 1 . . . . 96 SER N . 19191 1 466 . 1 1 49 49 HIS H H 1 8.52 0.01 . 1 . . . . 97 HIS H . 19191 1 467 . 1 1 49 49 HIS HA H 1 4.71 0.01 . 1 . . . . 97 HIS HA . 19191 1 468 . 1 1 49 49 HIS HB2 H 1 3.26 0.01 . 2 . . . . 97 HIS HB2 . 19191 1 469 . 1 1 49 49 HIS HB3 H 1 3.15 0.01 . 2 . . . . 97 HIS HB3 . 19191 1 470 . 1 1 49 49 HIS C C 13 174.63 0.01 . 1 . . . . 97 HIS C . 19191 1 471 . 1 1 49 49 HIS CA C 13 55.69 0.01 . 1 . . . . 97 HIS CA . 19191 1 472 . 1 1 49 49 HIS CB C 13 29.27 0.01 . 1 . . . . 97 HIS CB . 19191 1 473 . 1 1 49 49 HIS N N 15 120.62 0.01 . 1 . . . . 97 HIS N . 19191 1 474 . 1 1 50 50 LEU H H 1 8.20 0.01 . 1 . . . . 98 LEU H . 19191 1 475 . 1 1 50 50 LEU HA H 1 4.30 0.01 . 1 . . . . 98 LEU HA . 19191 1 476 . 1 1 50 50 LEU HB2 H 1 1.62 0.01 . 2 . . . . 98 LEU HB2 . 19191 1 477 . 1 1 50 50 LEU HB3 H 1 1.54 0.01 . 2 . . . . 98 LEU HB3 . 19191 1 478 . 1 1 50 50 LEU HD11 H 1 0.88 0.01 . 2 . . . . 98 LEU MD1 . 19191 1 479 . 1 1 50 50 LEU HD12 H 1 0.88 0.01 . 2 . . . . 98 LEU MD1 . 19191 1 480 . 1 1 50 50 LEU HD13 H 1 0.88 0.01 . 2 . . . . 98 LEU MD1 . 19191 1 481 . 1 1 50 50 LEU HD21 H 1 0.88 0.01 . 2 . . . . 98 LEU MD2 . 19191 1 482 . 1 1 50 50 LEU HD22 H 1 0.88 0.01 . 2 . . . . 98 LEU MD2 . 19191 1 483 . 1 1 50 50 LEU HD23 H 1 0.88 0.01 . 2 . . . . 98 LEU MD2 . 19191 1 484 . 1 1 50 50 LEU C C 13 177.33 0.01 . 1 . . . . 98 LEU C . 19191 1 485 . 1 1 50 50 LEU CA C 13 55.30 0.01 . 1 . . . . 98 LEU CA . 19191 1 486 . 1 1 50 50 LEU CB C 13 42.19 0.01 . 1 . . . . 98 LEU CB . 19191 1 487 . 1 1 50 50 LEU CG C 13 24.81 0.01 . 1 . . . . 98 LEU CG . 19191 1 488 . 1 1 50 50 LEU CD1 C 13 23.16 0.01 . 2 . . . . 98 LEU CD1 . 19191 1 489 . 1 1 50 50 LEU CD2 C 13 23.16 0.01 . 2 . . . . 98 LEU CD2 . 19191 1 490 . 1 1 50 50 LEU N N 15 122.78 0.01 . 1 . . . . 98 LEU N . 19191 1 491 . 1 1 51 51 ARG H H 1 8.43 0.01 . 1 . . . . 99 ARG H . 19191 1 492 . 1 1 51 51 ARG HA H 1 4.33 0.01 . 1 . . . . 99 ARG HA . 19191 1 493 . 1 1 51 51 ARG HB2 H 1 1.84 0.01 . 2 . . . . 99 ARG HB2 . 19191 1 494 . 1 1 51 51 ARG HB3 H 1 1.78 0.01 . 2 . . . . 99 ARG HB3 . 19191 1 495 . 1 1 51 51 ARG HG2 H 1 1.62 0.01 . 2 . . . . 99 ARG HG2 . 19191 1 496 . 1 1 51 51 ARG HG3 H 1 1.62 0.01 . 2 . . . . 99 ARG HG3 . 19191 1 497 . 1 1 51 51 ARG C C 13 175.99 0.01 . 1 . . . . 99 ARG C . 19191 1 498 . 1 1 51 51 ARG CA C 13 56.08 0.01 . 1 . . . . 99 ARG CA . 19191 1 499 . 1 1 51 51 ARG CB C 13 30.76 0.01 . 1 . . . . 99 ARG CB . 19191 1 500 . 1 1 51 51 ARG CG C 13 27.17 0.01 . 1 . . . . 99 ARG CG . 19191 1 501 . 1 1 51 51 ARG CD C 13 43.34 0.01 . 1 . . . . 99 ARG CD . 19191 1 502 . 1 1 51 51 ARG N N 15 121.79 0.01 . 1 . . . . 99 ARG N . 19191 1 503 . 1 1 52 52 ASN H H 1 8.58 0.01 . 1 . . . . 100 ASN H . 19191 1 504 . 1 1 52 52 ASN HA H 1 4.73 0.01 . 1 . . . . 100 ASN HA . 19191 1 505 . 1 1 52 52 ASN HB2 H 1 2.79 0.01 . 2 . . . . 100 ASN HB2 . 19191 1 506 . 1 1 52 52 ASN HB3 H 1 2.79 0.01 . 2 . . . . 100 ASN HB3 . 19191 1 507 . 1 1 52 52 ASN C C 13 174.82 0.01 . 1 . . . . 100 ASN C . 19191 1 508 . 1 1 52 52 ASN CA C 13 53.24 0.01 . 1 . . . . 100 ASN CA . 19191 1 509 . 1 1 52 52 ASN CB C 13 39.01 0.01 . 1 . . . . 100 ASN CB . 19191 1 510 . 1 1 52 52 ASN N N 15 120.01 0.01 . 1 . . . . 100 ASN N . 19191 1 511 . 1 1 53 53 SER H H 1 8.44 0.01 . 1 . . . . 101 SER H . 19191 1 512 . 1 1 53 53 SER HA H 1 4.79 0.01 . 1 . . . . 101 SER HA . 19191 1 513 . 1 1 53 53 SER HB2 H 1 3.89 0.01 . 2 . . . . 101 SER HB2 . 19191 1 514 . 1 1 53 53 SER HB3 H 1 3.89 0.01 . 2 . . . . 101 SER HB3 . 19191 1 515 . 1 1 53 53 SER C C 13 173.03 0.01 . 1 . . . . 101 SER C . 19191 1 516 . 1 1 53 53 SER CA C 13 56.54 0.01 . 1 . . . . 101 SER CA . 19191 1 517 . 1 1 53 53 SER CB C 13 63.39 0.01 . 1 . . . . 101 SER CB . 19191 1 518 . 1 1 53 53 SER N N 15 117.53 0.01 . 1 . . . . 101 SER N . 19191 1 519 . 1 1 54 54 PRO HA H 1 4.40 0.01 . 1 . . . . 102 PRO HA . 19191 1 520 . 1 1 54 54 PRO HD2 H 1 3.89 0.01 . 2 . . . . 102 PRO HD2 . 19191 1 521 . 1 1 54 54 PRO HD3 H 1 3.78 0.01 . 2 . . . . 102 PRO HD3 . 19191 1 522 . 1 1 54 54 PRO C C 13 177.32 0.01 . 1 . . . . 102 PRO C . 19191 1 523 . 1 1 54 54 PRO CA C 13 63.84 0.01 . 1 . . . . 102 PRO CA . 19191 1 524 . 1 1 54 54 PRO CB C 13 32.04 0.01 . 1 . . . . 102 PRO CB . 19191 1 525 . 1 1 54 54 PRO CG C 13 27.56 0.01 . 1 . . . . 102 PRO CG . 19191 1 526 . 1 1 54 54 PRO CD C 13 50.85 0.01 . 1 . . . . 102 PRO CD . 19191 1 527 . 1 1 55 55 GLU H H 1 8.60 0.01 . 1 . . . . 103 GLU H . 19191 1 528 . 1 1 55 55 GLU HA H 1 4.19 0.01 . 1 . . . . 103 GLU HA . 19191 1 529 . 1 1 55 55 GLU HB2 H 1 2.03 0.01 . 2 . . . . 103 GLU HB2 . 19191 1 530 . 1 1 55 55 GLU HB3 H 1 1.93 0.01 . 2 . . . . 103 GLU HB3 . 19191 1 531 . 1 1 55 55 GLU HG2 H 1 2.27 0.01 . 2 . . . . 103 GLU HG2 . 19191 1 532 . 1 1 55 55 GLU HG3 H 1 2.27 0.01 . 2 . . . . 103 GLU HG3 . 19191 1 533 . 1 1 55 55 GLU C C 13 176.45 0.01 . 1 . . . . 103 GLU C . 19191 1 534 . 1 1 55 55 GLU CA C 13 57.07 0.01 . 1 . . . . 103 GLU CA . 19191 1 535 . 1 1 55 55 GLU CB C 13 29.95 0.01 . 1 . . . . 103 GLU CB . 19191 1 536 . 1 1 55 55 GLU CG C 13 36.34 0.01 . 1 . . . . 103 GLU CG . 19191 1 537 . 1 1 55 55 GLU N N 15 119.84 0.01 . 1 . . . . 103 GLU N . 19191 1 538 . 1 1 56 56 ASP H H 1 8.26 0.01 . 1 . . . . 104 ASP H . 19191 1 539 . 1 1 56 56 ASP HA H 1 4.56 0.01 . 1 . . . . 104 ASP HA . 19191 1 540 . 1 1 56 56 ASP HB2 H 1 2.74 0.01 . 2 . . . . 104 ASP HB2 . 19191 1 541 . 1 1 56 56 ASP HB3 H 1 2.65 0.01 . 2 . . . . 104 ASP HB3 . 19191 1 542 . 1 1 56 56 ASP C C 13 176.39 0.01 . 1 . . . . 104 ASP C . 19191 1 543 . 1 1 56 56 ASP CA C 13 54.51 0.01 . 1 . . . . 104 ASP CA . 19191 1 544 . 1 1 56 56 ASP CB C 13 41.07 0.01 . 1 . . . . 104 ASP CB . 19191 1 545 . 1 1 56 56 ASP N N 15 121.48 0.01 . 1 . . . . 104 ASP N . 19191 1 546 . 1 1 57 57 LYS H H 1 8.30 0.01 . 1 . . . . 105 LYS H . 19191 1 547 . 1 1 57 57 LYS HA H 1 4.29 0.01 . 1 . . . . 105 LYS HA . 19191 1 548 . 1 1 57 57 LYS HB2 H 1 1.86 0.01 . 2 . . . . 105 LYS HB2 . 19191 1 549 . 1 1 57 57 LYS HB3 H 1 1.75 0.01 . 2 . . . . 105 LYS HB3 . 19191 1 550 . 1 1 57 57 LYS HG2 H 1 1.42 0.01 . 2 . . . . 105 LYS HG2 . 19191 1 551 . 1 1 57 57 LYS HG3 H 1 1.42 0.01 . 2 . . . . 105 LYS HG3 . 19191 1 552 . 1 1 57 57 LYS HD2 H 1 2.98 0.01 . 2 . . . . 105 LYS HD2 . 19191 1 553 . 1 1 57 57 LYS HD3 H 1 2.98 0.01 . 2 . . . . 105 LYS HD3 . 19191 1 554 . 1 1 57 57 LYS C C 13 176.77 0.01 . 1 . . . . 105 LYS C . 19191 1 555 . 1 1 57 57 LYS CA C 13 54.51 0.01 . 1 . . . . 105 LYS CA . 19191 1 556 . 1 1 57 57 LYS CB C 13 32.70 0.01 . 1 . . . . 105 LYS CB . 19191 1 557 . 1 1 57 57 LYS CG C 13 24.53 0.01 . 1 . . . . 105 LYS CG . 19191 1 558 . 1 1 57 57 LYS CD C 13 28.96 0.01 . 1 . . . . 105 LYS CD . 19191 1 559 . 1 1 57 57 LYS N N 15 122.23 0.01 . 1 . . . . 105 LYS N . 19191 1 560 . 1 1 58 58 ARG H H 1 8.40 0.01 . 1 . . . . 106 ARG H . 19191 1 561 . 1 1 58 58 ARG HA H 1 4.27 0.01 . 1 . . . . 106 ARG HA . 19191 1 562 . 1 1 58 58 ARG HB2 H 1 1.80 0.01 . 2 . . . . 106 ARG HB2 . 19191 1 563 . 1 1 58 58 ARG HB3 H 1 1.80 0.01 . 2 . . . . 106 ARG HB3 . 19191 1 564 . 1 1 58 58 ARG HG2 H 1 1.64 0.01 . 2 . . . . 106 ARG HG2 . 19191 1 565 . 1 1 58 58 ARG HG3 H 1 1.64 0.01 . 2 . . . . 106 ARG HG3 . 19191 1 566 . 1 1 58 58 ARG HD2 H 1 3.17 0.01 . 2 . . . . 106 ARG HD2 . 19191 1 567 . 1 1 58 58 ARG HD3 H 1 3.07 0.01 . 2 . . . . 106 ARG HD3 . 19191 1 568 . 1 1 58 58 ARG C C 13 176.41 0.01 . 1 . . . . 106 ARG C . 19191 1 569 . 1 1 58 58 ARG CA C 13 56.28 0.01 . 1 . . . . 106 ARG CA . 19191 1 570 . 1 1 58 58 ARG CB C 13 30.72 0.01 . 1 . . . . 106 ARG CB . 19191 1 571 . 1 1 58 58 ARG CG C 13 27.04 0.01 . 1 . . . . 106 ARG CG . 19191 1 572 . 1 1 58 58 ARG CD C 13 43.36 0.01 . 1 . . . . 106 ARG CD . 19191 1 573 . 1 1 58 58 ARG N N 15 122.25 0.01 . 1 . . . . 106 ARG N . 19191 1 574 . 1 1 59 59 ALA H H 1 8.48 0.01 . 1 . . . . 107 ALA H . 19191 1 575 . 1 1 59 59 ALA HA H 1 4.33 0.01 . 1 . . . . 107 ALA HA . 19191 1 576 . 1 1 59 59 ALA HB1 H 1 1.41 0.01 . 1 . . . . 107 ALA MB . 19191 1 577 . 1 1 59 59 ALA HB2 H 1 1.41 0.01 . 1 . . . . 107 ALA MB . 19191 1 578 . 1 1 59 59 ALA HB3 H 1 1.41 0.01 . 1 . . . . 107 ALA MB . 19191 1 579 . 1 1 59 59 ALA C C 13 178.29 0.01 . 1 . . . . 107 ALA C . 19191 1 580 . 1 1 59 59 ALA CA C 13 52.76 0.01 . 1 . . . . 107 ALA CA . 19191 1 581 . 1 1 59 59 ALA CB C 13 19.13 0.01 . 1 . . . . 107 ALA CB . 19191 1 582 . 1 1 59 59 ALA N N 15 125.62 0.01 . 1 . . . . 107 ALA N . 19191 1 583 . 1 1 60 60 GLY H H 1 8.53 0.01 . 1 . . . . 108 GLY H . 19191 1 584 . 1 1 60 60 GLY HA2 H 1 3.99 0.01 . 2 . . . . 108 GLY HA2 . 19191 1 585 . 1 1 60 60 GLY HA3 H 1 3.99 0.01 . 2 . . . . 108 GLY HA3 . 19191 1 586 . 1 1 60 60 GLY C C 13 174.78 0.01 . 1 . . . . 108 GLY C . 19191 1 587 . 1 1 60 60 GLY CA C 13 45.37 0.01 . 1 . . . . 108 GLY CA . 19191 1 588 . 1 1 60 60 GLY N N 15 108.69 0.01 . 1 . . . . 108 GLY N . 19191 1 589 . 1 1 61 61 GLY H H 1 8.36 0.01 . 1 . . . . 109 GLY H . 19191 1 590 . 1 1 61 61 GLY HA2 H 1 4.00 0.01 . 2 . . . . 109 GLY HA2 . 19191 1 591 . 1 1 61 61 GLY HA3 H 1 4.00 0.01 . 2 . . . . 109 GLY HA3 . 19191 1 592 . 1 1 61 61 GLY C C 13 174.43 0.01 . 1 . . . . 109 GLY C . 19191 1 593 . 1 1 61 61 GLY CA C 13 45.37 0.01 . 1 . . . . 109 GLY CA . 19191 1 594 . 1 1 61 61 GLY N N 15 108.92 0.01 . 1 . . . . 109 GLY N . 19191 1 595 . 1 1 62 62 GLU H H 1 8.58 0.01 . 1 . . . . 110 GLU H . 19191 1 596 . 1 1 62 62 GLU HA H 1 4.27 0.01 . 1 . . . . 110 GLU HA . 19191 1 597 . 1 1 62 62 GLU HB2 H 1 2.08 0.01 . 2 . . . . 110 GLU HB2 . 19191 1 598 . 1 1 62 62 GLU HB3 H 1 1.94 0.01 . 2 . . . . 110 GLU HB3 . 19191 1 599 . 1 1 62 62 GLU HG2 H 1 2.29 0.01 . 2 . . . . 110 GLU HG2 . 19191 1 600 . 1 1 62 62 GLU HG3 H 1 2.29 0.01 . 2 . . . . 110 GLU HG3 . 19191 1 601 . 1 1 62 62 GLU C C 13 176.88 0.01 . 1 . . . . 110 GLU C . 19191 1 602 . 1 1 62 62 GLU CA C 13 56.88 0.01 . 1 . . . . 110 GLU CA . 19191 1 603 . 1 1 62 62 GLU CB C 13 30.13 0.01 . 1 . . . . 110 GLU CB . 19191 1 604 . 1 1 62 62 GLU CG C 13 36.29 0.01 . 1 . . . . 110 GLU CG . 19191 1 605 . 1 1 62 62 GLU N N 15 120.72 0.01 . 1 . . . . 110 GLU N . 19191 1 606 . 1 1 63 63 GLU H H 1 8.70 0.01 . 1 . . . . 111 GLU H . 19191 1 607 . 1 1 63 63 GLU HA H 1 4.28 0.01 . 1 . . . . 111 GLU HA . 19191 1 608 . 1 1 63 63 GLU HB2 H 1 2.08 0.01 . 2 . . . . 111 GLU HB2 . 19191 1 609 . 1 1 63 63 GLU HB3 H 1 1.96 0.01 . 2 . . . . 111 GLU HB3 . 19191 1 610 . 1 1 63 63 GLU HG2 H 1 2.29 0.01 . 2 . . . . 111 GLU HG2 . 19191 1 611 . 1 1 63 63 GLU HG3 H 1 2.29 0.01 . 2 . . . . 111 GLU HG3 . 19191 1 612 . 1 1 63 63 GLU C C 13 176.75 0.01 . 1 . . . . 111 GLU C . 19191 1 613 . 1 1 63 63 GLU CA C 13 56.86 0.01 . 1 . . . . 111 GLU CA . 19191 1 614 . 1 1 63 63 GLU CB C 13 29.98 0.01 . 1 . . . . 111 GLU CB . 19191 1 615 . 1 1 63 63 GLU CG C 13 36.27 0.01 . 1 . . . . 111 GLU CG . 19191 1 616 . 1 1 63 63 GLU N N 15 121.66 0.01 . 1 . . . . 111 GLU N . 19191 1 617 . 1 1 64 64 SER H H 1 8.41 0.01 . 1 . . . . 112 SER H . 19191 1 618 . 1 1 64 64 SER HA H 1 4.40 0.01 . 1 . . . . 112 SER HA . 19191 1 619 . 1 1 64 64 SER HB2 H 1 3.83 0.01 . 2 . . . . 112 SER HB2 . 19191 1 620 . 1 1 64 64 SER HB3 H 1 3.83 0.01 . 2 . . . . 112 SER HB3 . 19191 1 621 . 1 1 64 64 SER C C 13 174.53 0.01 . 1 . . . . 112 SER C . 19191 1 622 . 1 1 64 64 SER CA C 13 58.50 0.01 . 1 . . . . 112 SER CA . 19191 1 623 . 1 1 64 64 SER CB C 13 63.72 0.01 . 1 . . . . 112 SER CB . 19191 1 624 . 1 1 64 64 SER N N 15 116.90 0.01 . 1 . . . . 112 SER N . 19191 1 625 . 1 1 65 65 GLN H H 1 8.43 0.01 . 1 . . . . 113 GLN H . 19191 1 626 . 1 1 65 65 GLN HA H 1 4.28 0.01 . 1 . . . . 113 GLN HA . 19191 1 627 . 1 1 65 65 GLN HB2 H 1 1.99 0.01 . 2 . . . . 113 GLN HB2 . 19191 1 628 . 1 1 65 65 GLN HB3 H 1 1.87 0.01 . 2 . . . . 113 GLN HB3 . 19191 1 629 . 1 1 65 65 GLN HG2 H 1 2.19 0.01 . 2 . . . . 113 GLN HG2 . 19191 1 630 . 1 1 65 65 GLN HG3 H 1 2.19 0.01 . 2 . . . . 113 GLN HG3 . 19191 1 631 . 1 1 65 65 GLN C C 13 175.56 0.01 . 1 . . . . 113 GLN C . 19191 1 632 . 1 1 65 65 GLN CA C 13 55.92 0.01 . 1 . . . . 113 GLN CA . 19191 1 633 . 1 1 65 65 GLN CB C 13 29.28 0.01 . 1 . . . . 113 GLN CB . 19191 1 634 . 1 1 65 65 GLN CG C 13 33.64 0.01 . 1 . . . . 113 GLN CG . 19191 1 635 . 1 1 65 65 GLN N N 15 122.15 0.01 . 1 . . . . 113 GLN N . 19191 1 636 . 1 1 66 66 PHE H H 1 8.24 0.01 . 1 . . . . 114 PHE H . 19191 1 637 . 1 1 66 66 PHE HA H 1 4.65 0.01 . 1 . . . . 114 PHE HA . 19191 1 638 . 1 1 66 66 PHE HB2 H 1 3.17 0.01 . 2 . . . . 114 PHE HB2 . 19191 1 639 . 1 1 66 66 PHE HB3 H 1 2.98 0.01 . 2 . . . . 114 PHE HB3 . 19191 1 640 . 1 1 66 66 PHE C C 13 175.58 0.01 . 1 . . . . 114 PHE C . 19191 1 641 . 1 1 66 66 PHE CA C 13 57.62 0.01 . 1 . . . . 114 PHE CA . 19191 1 642 . 1 1 66 66 PHE CB C 13 39.68 0.01 . 1 . . . . 114 PHE CB . 19191 1 643 . 1 1 66 66 PHE N N 15 120.82 0.01 . 1 . . . . 114 PHE N . 19191 1 644 . 1 1 67 67 GLU H H 1 8.39 0.01 . 1 . . . . 115 GLU H . 19191 1 645 . 1 1 67 67 GLU HA H 1 4.24 0.01 . 1 . . . . 115 GLU HA . 19191 1 646 . 1 1 67 67 GLU HB2 H 1 2.02 0.01 . 2 . . . . 115 GLU HB2 . 19191 1 647 . 1 1 67 67 GLU HB3 H 1 1.90 0.01 . 2 . . . . 115 GLU HB3 . 19191 1 648 . 1 1 67 67 GLU HG2 H 1 2.22 0.01 . 2 . . . . 115 GLU HG2 . 19191 1 649 . 1 1 67 67 GLU HG3 H 1 2.22 0.01 . 2 . . . . 115 GLU HG3 . 19191 1 650 . 1 1 67 67 GLU C C 13 175.94 0.01 . 1 . . . . 115 GLU C . 19191 1 651 . 1 1 67 67 GLU CA C 13 56.37 0.01 . 1 . . . . 115 GLU CA . 19191 1 652 . 1 1 67 67 GLU CB C 13 30.40 0.01 . 1 . . . . 115 GLU CB . 19191 1 653 . 1 1 67 67 GLU CG C 13 36.17 0.01 . 1 . . . . 115 GLU CG . 19191 1 654 . 1 1 67 67 GLU N N 15 122.31 0.01 . 1 . . . . 115 GLU N . 19191 1 655 . 1 1 68 68 MET H H 1 8.38 0.01 . 1 . . . . 116 MET H . 19191 1 656 . 1 1 68 68 MET HA H 1 4.47 0.01 . 1 . . . . 116 MET HA . 19191 1 657 . 1 1 68 68 MET HB2 H 1 2.10 0.01 . 2 . . . . 116 MET HB2 . 19191 1 658 . 1 1 68 68 MET HB3 H 1 2.10 0.01 . 2 . . . . 116 MET HB3 . 19191 1 659 . 1 1 68 68 MET HG2 H 1 2.57 0.01 . 2 . . . . 116 MET HG2 . 19191 1 660 . 1 1 68 68 MET HG3 H 1 2.57 0.01 . 2 . . . . 116 MET HG3 . 19191 1 661 . 1 1 68 68 MET C C 13 177.05 0.01 . 1 . . . . 116 MET C . 19191 1 662 . 1 1 68 68 MET CA C 13 55.34 0.01 . 1 . . . . 116 MET CA . 19191 1 663 . 1 1 68 68 MET CB C 13 33.27 0.01 . 1 . . . . 116 MET CB . 19191 1 664 . 1 1 68 68 MET CG C 13 32.06 0.01 . 1 . . . . 116 MET CG . 19191 1 665 . 1 1 68 68 MET N N 15 121.11 0.01 . 1 . . . . 116 MET N . 19191 1 666 . 1 1 69 69 ASP H H 1 8.52 0.01 . 1 . . . . 117 ASP H . 19191 1 667 . 1 1 69 69 ASP HA H 1 4.66 0.01 . 1 . . . . 117 ASP HA . 19191 1 668 . 1 1 69 69 ASP HB2 H 1 2.75 0.01 . 2 . . . . 117 ASP HB2 . 19191 1 669 . 1 1 69 69 ASP HB3 H 1 2.59 0.01 . 2 . . . . 117 ASP HB3 . 19191 1 670 . 1 1 69 69 ASP C C 13 175.02 0.01 . 1 . . . . 117 ASP C . 19191 1 671 . 1 1 69 69 ASP CA C 13 54.43 0.01 . 1 . . . . 117 ASP CA . 19191 1 672 . 1 1 69 69 ASP CB C 13 40.82 0.01 . 1 . . . . 117 ASP CB . 19191 1 673 . 1 1 69 69 ASP N N 15 122.44 0.01 . 1 . . . . 117 ASP N . 19191 1 674 . 1 1 70 70 ILE H H 1 7.70 0.01 . 1 . . . . 118 ILE H . 19191 1 675 . 1 1 70 70 ILE HA H 1 4.09 0.01 . 1 . . . . 118 ILE HA . 19191 1 676 . 1 1 70 70 ILE HB H 1 1.85 0.01 . 1 . . . . 118 ILE HB . 19191 1 677 . 1 1 70 70 ILE HG12 H 1 0.88 0.01 . 2 . . . . 118 ILE HG12 . 19191 1 678 . 1 1 70 70 ILE HG13 H 1 0.88 0.01 . 2 . . . . 118 ILE HG13 . 19191 1 679 . 1 1 70 70 ILE C C 13 181.20 0.01 . 1 . . . . 118 ILE C . 19191 1 680 . 1 1 70 70 ILE CA C 13 62.85 0.01 . 1 . . . . 118 ILE CA . 19191 1 681 . 1 1 70 70 ILE CB C 13 39.81 0.01 . 1 . . . . 118 ILE CB . 19191 1 682 . 1 1 70 70 ILE N N 15 124.77 0.01 . 1 . . . . 118 ILE N . 19191 1 stop_ save_