data_10095 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 10095 _Entry.Title ; Solution structure of the KH domain of human ribosomal protein S3 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2007-02-13 _Entry.Accession_date 2007-02-16 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version production.3.0.2.8 _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 N. Nameki . . . 10095 2 T. Tomizawa . . . 10095 3 S. Koshiba . . . 10095 4 T. Kigawa . . . 10095 5 S. Yokoyama . . . 10095 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 1 'Protein 3000 Project' 'Protein Research Group, RIKEN Genomic Sciences Center' 'RIKEN GSC' 10095 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 10095 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 362 10095 '15N chemical shifts' 81 10095 '1H chemical shifts' 572 10095 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2010-05-25 2007-01-24 update BMRB 'update entity name' 10095 1 . . 2008-08-29 2007-01-24 original author 'original release' 10095 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1WH9 'BMRB Entry Tracking System' 10095 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 10095 _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 KH domain of human ribosomal protein S3' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _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 N. Nameki . . . 10095 1 2 T. Tomizawa . . . 10095 1 3 S. Koshiba . . . 10095 1 4 T. Kigawa . . . 10095 1 5 S. Yokoyama . . . 10095 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 10095 _Assembly.ID 1 _Assembly.Name '40S ribosomal protein S3' _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 '40S ribosomal protein S3' 1 $entity_1 A . yes native no no . . . 10095 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 1WH9 . . 'solution NMR' . . . 10095 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 10095 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name '40S ribosomal protein S3' _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 ; GSSGSSGFKAELNEFLTREL AEDGYSGVEVRVTPTRTEII ILATRTQNVLGEKGRRIREL TAVVQKRFGFPEGSVELYAE KVATRGSGPSSG ; _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 92 _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 1WH9 . "Solution Structure Of The Kh Domain Of Human Ribosomal Protein S3" . . . . . 100.00 92 100.00 100.00 1.44e-55 . . . . 10095 1 2 no PDB 2ZKQ . "Structure Of A Mammalian Ribosomal 40s Subunit Within An 80s Complex Obtained By Docking Homology Models Of The Rna And Protein" . . . . . 85.87 243 100.00 100.00 2.57e-45 . . . . 10095 1 3 no PDB 3J3A . "Structure Of The Human 40s Ribosomal Proteins" . . . . . 85.87 243 100.00 100.00 2.57e-45 . . . . 10095 1 4 no PDB 4CXC . "Regulation Of The Mammalian Elongation Cycle By 40s Subunit Rolling: A Eukaryotic-specific Ribosome Rearrangement" . . . . . 85.87 243 100.00 100.00 2.57e-45 . . . . 10095 1 5 no PDB 4D5L . "Cryo-em Structures Of Ribosomal 80s Complexes With Termination Factors And Cricket Paralysis Virus Ires Reveal The Ires In The " . . . . . 85.87 243 100.00 100.00 2.57e-45 . . . . 10095 1 6 no PDB 4D61 . "Cryo-em Structures Of Ribosomal 80s Complexes With Termination Factors And Cricket Paralysis Virus Ires Reveal The Ires In The " . . . . . 85.87 243 100.00 100.00 2.57e-45 . . . . 10095 1 7 no PDB 4KZX . "Rabbit 40s Ribosomal Subunit In Complex With Eif1." . . . . . 85.87 243 100.00 100.00 2.36e-45 . . . . 10095 1 8 no PDB 4KZY . "Rabbit 40s Ribosomal Subunit In Complex With Eif1 And Eif1a." . . . . . 85.87 243 100.00 100.00 2.36e-45 . . . . 10095 1 9 no PDB 4KZZ . "Rabbit 40s Ribosomal Subunit In Complex With Mrna, Initiator Trna And Eif1a" . . . . . 85.87 243 100.00 100.00 2.36e-45 . . . . 10095 1 10 no PDB 4UQ4 . "Mammalian 80s Hcv-ires Initiation Complex With Eif5b Post-like State" . . . . . 85.87 243 100.00 100.00 2.57e-45 . . . . 10095 1 11 no PDB 4UQ5 . "Mammalian 80s Hcv-ires Initiation Complex With Eif5b Pre-like State" . . . . . 85.87 243 100.00 100.00 2.57e-45 . . . . 10095 1 12 no PDB 4W23 . "Structure Of The 80s Mammalian Ribosome Bound To Eef2 (this Entry Contains The Small Ribosomal Subunit)" . . . . . 85.87 243 100.00 100.00 2.57e-45 . . . . 10095 1 13 no PDB 4W28 . "Structure Of The Translating Mammalian Ribosome-sec61 Complex (this Entry Contains The Small Ribosomal Subunit)" . . . . . 85.87 243 100.00 100.00 2.57e-45 . . . . 10095 1 14 no PDB 5A2Q . "Structure Of The Hcv Ires Bound To The Human Ribosome" . . . . . 85.87 243 100.00 100.00 2.57e-45 . . . . 10095 1 15 no DBJ BAB22624 . "unnamed protein product [Mus musculus]" . . . . . 85.87 243 100.00 100.00 2.36e-45 . . . . 10095 1 16 no DBJ BAB27042 . "unnamed protein product [Mus musculus]" . . . . . 85.87 243 100.00 100.00 2.36e-45 . . . . 10095 1 17 no DBJ BAB27761 . "unnamed protein product [Mus musculus]" . . . . . 85.87 243 98.73 98.73 1.86e-44 . . . . 10095 1 18 no DBJ BAB28111 . "unnamed protein product [Mus musculus]" . . . . . 85.87 243 100.00 100.00 2.36e-45 . . . . 10095 1 19 no DBJ BAB28159 . "unnamed protein product [Mus musculus]" . . . . . 85.87 243 100.00 100.00 2.26e-45 . . . . 10095 1 20 no EMBL CAA35916 . "unnamed protein product [Rattus rattus]" . . . . . 85.87 243 100.00 100.00 2.36e-45 . . . . 10095 1 21 no EMBL CAA39248 . "unnamed protein product [Homo sapiens]" . . . . . 85.87 243 100.00 100.00 2.71e-45 . . . . 10095 1 22 no EMBL CAA40592 . "ribosomal protein S1a [Xenopus laevis]" . . . . . 85.87 246 100.00 100.00 1.46e-45 . . . . 10095 1 23 no EMBL CAA54167 . "ribosomal protein S3 [Mus musculus]" . . . . . 85.87 243 100.00 100.00 2.36e-45 . . . . 10095 1 24 no EMBL CAA84290 . "ribosomal protein [Xenopus laevis]" . . . . . 85.87 246 98.73 100.00 6.94e-45 . . . . 10095 1 25 no GB AAA18095 . "ribosomal protein S3, partial [Homo sapiens]" . . . . . 85.87 95 100.00 100.00 9.80e-47 . . . . 10095 1 26 no GB AAB19349 . "S3 ribosomal protein [Homo sapiens]" . . . . . 85.87 243 100.00 100.00 2.71e-45 . . . . 10095 1 27 no GB AAB46849 . "ribosomal protein S3 [Ambystoma mexicanum]" . . . . . 85.87 253 100.00 100.00 1.66e-45 . . . . 10095 1 28 no GB AAB60336 . "ribosomal protein S3 [Homo sapiens]" . . . . . 85.87 243 100.00 100.00 2.57e-45 . . . . 10095 1 29 no GB AAB60337 . "ribosomal protein S3 [Homo sapiens]" . . . . . 85.87 243 100.00 100.00 2.57e-45 . . . . 10095 1 30 no REF NP_000996 . "40S ribosomal protein S3 isoform 1 [Homo sapiens]" . . . . . 85.87 243 100.00 100.00 2.57e-45 . . . . 10095 1 31 no REF NP_001009239 . "40S ribosomal protein S3 [Rattus norvegicus]" . . . . . 85.87 243 100.00 100.00 2.36e-45 . . . . 10095 1 32 no REF NP_001026007 . "40S ribosomal protein S3 [Gallus gallus]" . . . . . 85.87 244 100.00 100.00 2.29e-45 . . . . 10095 1 33 no REF NP_001029219 . "40S ribosomal protein S3 [Bos taurus]" . . . . . 85.87 243 100.00 100.00 2.57e-45 . . . . 10095 1 34 no REF NP_001038066 . "40S ribosomal protein S3 [Sus scrofa]" . . . . . 85.87 243 100.00 100.00 2.57e-45 . . . . 10095 1 35 no SP E2RH47 . "RecName: Full=40S ribosomal protein S3" . . . . . 85.87 243 100.00 100.00 2.36e-45 . . . . 10095 1 36 no SP P02350 . "RecName: Full=40S ribosomal protein S3-A; AltName: Full=S1A" . . . . . 85.87 246 100.00 100.00 1.46e-45 . . . . 10095 1 37 no SP P23396 . "RecName: Full=40S ribosomal protein S3" . . . . . 85.87 243 100.00 100.00 2.57e-45 . . . . 10095 1 38 no SP P47835 . "RecName: Full=40S ribosomal protein S3-B; AltName: Full=S1B" . . . . . 85.87 246 98.73 100.00 6.94e-45 . . . . 10095 1 39 no SP P62908 . "RecName: Full=40S ribosomal protein S3" . . . . . 85.87 243 100.00 100.00 2.36e-45 . . . . 10095 1 40 no TPG DAA21909 . "TPA: 40S ribosomal protein S3 [Bos taurus]" . . . . . 85.87 243 100.00 100.00 2.57e-45 . . . . 10095 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'KH domain' . 10095 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 . 10095 1 2 . SER . 10095 1 3 . SER . 10095 1 4 . GLY . 10095 1 5 . SER . 10095 1 6 . SER . 10095 1 7 . GLY . 10095 1 8 . PHE . 10095 1 9 . LYS . 10095 1 10 . ALA . 10095 1 11 . GLU . 10095 1 12 . LEU . 10095 1 13 . ASN . 10095 1 14 . GLU . 10095 1 15 . PHE . 10095 1 16 . LEU . 10095 1 17 . THR . 10095 1 18 . ARG . 10095 1 19 . GLU . 10095 1 20 . LEU . 10095 1 21 . ALA . 10095 1 22 . GLU . 10095 1 23 . ASP . 10095 1 24 . GLY . 10095 1 25 . TYR . 10095 1 26 . SER . 10095 1 27 . GLY . 10095 1 28 . VAL . 10095 1 29 . GLU . 10095 1 30 . VAL . 10095 1 31 . ARG . 10095 1 32 . VAL . 10095 1 33 . THR . 10095 1 34 . PRO . 10095 1 35 . THR . 10095 1 36 . ARG . 10095 1 37 . THR . 10095 1 38 . GLU . 10095 1 39 . ILE . 10095 1 40 . ILE . 10095 1 41 . ILE . 10095 1 42 . LEU . 10095 1 43 . ALA . 10095 1 44 . THR . 10095 1 45 . ARG . 10095 1 46 . THR . 10095 1 47 . GLN . 10095 1 48 . ASN . 10095 1 49 . VAL . 10095 1 50 . LEU . 10095 1 51 . GLY . 10095 1 52 . GLU . 10095 1 53 . LYS . 10095 1 54 . GLY . 10095 1 55 . ARG . 10095 1 56 . ARG . 10095 1 57 . ILE . 10095 1 58 . ARG . 10095 1 59 . GLU . 10095 1 60 . LEU . 10095 1 61 . THR . 10095 1 62 . ALA . 10095 1 63 . VAL . 10095 1 64 . VAL . 10095 1 65 . GLN . 10095 1 66 . LYS . 10095 1 67 . ARG . 10095 1 68 . PHE . 10095 1 69 . GLY . 10095 1 70 . PHE . 10095 1 71 . PRO . 10095 1 72 . GLU . 10095 1 73 . GLY . 10095 1 74 . SER . 10095 1 75 . VAL . 10095 1 76 . GLU . 10095 1 77 . LEU . 10095 1 78 . TYR . 10095 1 79 . ALA . 10095 1 80 . GLU . 10095 1 81 . LYS . 10095 1 82 . VAL . 10095 1 83 . ALA . 10095 1 84 . THR . 10095 1 85 . ARG . 10095 1 86 . GLY . 10095 1 87 . SER . 10095 1 88 . GLY . 10095 1 89 . PRO . 10095 1 90 . SER . 10095 1 91 . SER . 10095 1 92 . GLY . 10095 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 10095 1 . SER 2 2 10095 1 . SER 3 3 10095 1 . GLY 4 4 10095 1 . SER 5 5 10095 1 . SER 6 6 10095 1 . GLY 7 7 10095 1 . PHE 8 8 10095 1 . LYS 9 9 10095 1 . ALA 10 10 10095 1 . GLU 11 11 10095 1 . LEU 12 12 10095 1 . ASN 13 13 10095 1 . GLU 14 14 10095 1 . PHE 15 15 10095 1 . LEU 16 16 10095 1 . THR 17 17 10095 1 . ARG 18 18 10095 1 . GLU 19 19 10095 1 . LEU 20 20 10095 1 . ALA 21 21 10095 1 . GLU 22 22 10095 1 . ASP 23 23 10095 1 . GLY 24 24 10095 1 . TYR 25 25 10095 1 . SER 26 26 10095 1 . GLY 27 27 10095 1 . VAL 28 28 10095 1 . GLU 29 29 10095 1 . VAL 30 30 10095 1 . ARG 31 31 10095 1 . VAL 32 32 10095 1 . THR 33 33 10095 1 . PRO 34 34 10095 1 . THR 35 35 10095 1 . ARG 36 36 10095 1 . THR 37 37 10095 1 . GLU 38 38 10095 1 . ILE 39 39 10095 1 . ILE 40 40 10095 1 . ILE 41 41 10095 1 . LEU 42 42 10095 1 . ALA 43 43 10095 1 . THR 44 44 10095 1 . ARG 45 45 10095 1 . THR 46 46 10095 1 . GLN 47 47 10095 1 . ASN 48 48 10095 1 . VAL 49 49 10095 1 . LEU 50 50 10095 1 . GLY 51 51 10095 1 . GLU 52 52 10095 1 . LYS 53 53 10095 1 . GLY 54 54 10095 1 . ARG 55 55 10095 1 . ARG 56 56 10095 1 . ILE 57 57 10095 1 . ARG 58 58 10095 1 . GLU 59 59 10095 1 . LEU 60 60 10095 1 . THR 61 61 10095 1 . ALA 62 62 10095 1 . VAL 63 63 10095 1 . VAL 64 64 10095 1 . GLN 65 65 10095 1 . LYS 66 66 10095 1 . ARG 67 67 10095 1 . PHE 68 68 10095 1 . GLY 69 69 10095 1 . PHE 70 70 10095 1 . PRO 71 71 10095 1 . GLU 72 72 10095 1 . GLY 73 73 10095 1 . SER 74 74 10095 1 . VAL 75 75 10095 1 . GLU 76 76 10095 1 . LEU 77 77 10095 1 . TYR 78 78 10095 1 . ALA 79 79 10095 1 . GLU 80 80 10095 1 . LYS 81 81 10095 1 . VAL 82 82 10095 1 . ALA 83 83 10095 1 . THR 84 84 10095 1 . ARG 85 85 10095 1 . GLY 86 86 10095 1 . SER 87 87 10095 1 . GLY 88 88 10095 1 . PRO 89 89 10095 1 . SER 90 90 10095 1 . SER 91 91 10095 1 . GLY 92 92 10095 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 10095 _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 . 9606 . . . human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 10095 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 10095 _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' . . . . . . . . . . . . . . . . . . . plasmid . . P040301-10 . . . . . . 10095 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 10095 _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 'KH domain' '[U-13C; U-15N]' . . 1 $entity_1 . . 0.6 . . mM . . . . 10095 1 2 d-Tris-HCl . . . . . . buffer 20 . . mM . . . . 10095 1 3 NaCl . . . . . . salt 200 . . mM . . . . 10095 1 4 d-DTT . . . . . . salt 1 . . mM . . . . 10095 1 5 NaN3 . . . . . . . 0.02 . . % . . . . 10095 1 6 H2O . . . . . . solvent 90 . . % . . . . 10095 1 7 D2O . . . . . . solvent 10 . . % . . . . 10095 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 10095 _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' 220 0.1 mM 10095 1 pH 7.0 0.05 pH 10095 1 pressure 1 0.001 atm 10095 1 temperature 296 0.1 K 10095 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 10095 _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 . . 10095 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 10095 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 10095 _Software.ID 2 _Software.Name NMRPipe _Software.Version 20020425 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, F.' . . 10095 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 10095 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 10095 _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.' . . 10095 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10095 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 10095 _Software.ID 4 _Software.Name Kujira _Software.Version 0.901 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 10095 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10095 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 10095 _Software.ID 5 _Software.Name CYANA _Software.Version 1.0.7 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, P.' . . 10095 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 10095 5 stop_ save_ save_software_6 _Software.Sf_category software _Software.Sf_framecode software_6 _Software.Entry_ID 10095 _Software.ID 6 _Software.Name OPALp _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Billeter, M.' . . 10095 6 'Guntert, P.' . . 10095 6 'Koradi, R.' . . 10095 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 10095 6 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 10095 _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 10095 _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 . . . 10095 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 10095 _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 . . . . . . . . . . . . . . . . 10095 1 2 '3D 13C-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10095 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 10095 _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 . . . . . . . . . 10095 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 10095 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 10095 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 10095 _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 10095 1 2 '3D 13C-separated NOESY' 1 $sample_1 isotropic 10095 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 7 7 GLY HA2 H 1 4.092 0.030 . 1 . . . . 7 GLY HA2 . 10095 1 2 . 1 1 7 7 GLY HA3 H 1 4.092 0.030 . 1 . . . . 7 GLY HA3 . 10095 1 3 . 1 1 7 7 GLY C C 13 174.687 0.300 . 1 . . . . 7 GLY C . 10095 1 4 . 1 1 7 7 GLY CA C 13 45.858 0.300 . 1 . . . . 7 GLY CA . 10095 1 5 . 1 1 8 8 PHE H H 1 8.047 0.030 . 1 . . . . 8 PHE H . 10095 1 6 . 1 1 8 8 PHE HA H 1 4.513 0.030 . 1 . . . . 8 PHE HA . 10095 1 7 . 1 1 8 8 PHE HB2 H 1 3.427 0.030 . 2 . . . . 8 PHE HB2 . 10095 1 8 . 1 1 8 8 PHE HB3 H 1 2.915 0.030 . 2 . . . . 8 PHE HB3 . 10095 1 9 . 1 1 8 8 PHE HD1 H 1 7.129 0.030 . 1 . . . . 8 PHE HD1 . 10095 1 10 . 1 1 8 8 PHE HD2 H 1 7.129 0.030 . 1 . . . . 8 PHE HD2 . 10095 1 11 . 1 1 8 8 PHE HE1 H 1 6.725 0.030 . 1 . . . . 8 PHE HE1 . 10095 1 12 . 1 1 8 8 PHE HE2 H 1 6.725 0.030 . 1 . . . . 8 PHE HE2 . 10095 1 13 . 1 1 8 8 PHE HZ H 1 6.860 0.030 . 1 . . . . 8 PHE HZ . 10095 1 14 . 1 1 8 8 PHE C C 13 175.961 0.300 . 1 . . . . 8 PHE C . 10095 1 15 . 1 1 8 8 PHE CA C 13 60.179 0.300 . 1 . . . . 8 PHE CA . 10095 1 16 . 1 1 8 8 PHE CB C 13 39.003 0.300 . 1 . . . . 8 PHE CB . 10095 1 17 . 1 1 8 8 PHE CD1 C 13 132.418 0.300 . 1 . . . . 8 PHE CD1 . 10095 1 18 . 1 1 8 8 PHE CD2 C 13 132.418 0.300 . 1 . . . . 8 PHE CD2 . 10095 1 19 . 1 1 8 8 PHE CE1 C 13 130.102 0.300 . 1 . . . . 8 PHE CE1 . 10095 1 20 . 1 1 8 8 PHE CE2 C 13 130.102 0.300 . 1 . . . . 8 PHE CE2 . 10095 1 21 . 1 1 8 8 PHE CZ C 13 128.629 0.300 . 1 . . . . 8 PHE CZ . 10095 1 22 . 1 1 8 8 PHE N N 15 121.225 0.300 . 1 . . . . 8 PHE N . 10095 1 23 . 1 1 9 9 LYS H H 1 8.329 0.030 . 1 . . . . 9 LYS H . 10095 1 24 . 1 1 9 9 LYS HA H 1 3.240 0.030 . 1 . . . . 9 LYS HA . 10095 1 25 . 1 1 9 9 LYS HB2 H 1 1.799 0.030 . 1 . . . . 9 LYS HB2 . 10095 1 26 . 1 1 9 9 LYS HB3 H 1 1.799 0.030 . 1 . . . . 9 LYS HB3 . 10095 1 27 . 1 1 9 9 LYS HG2 H 1 1.318 0.030 . 1 . . . . 9 LYS HG2 . 10095 1 28 . 1 1 9 9 LYS HG3 H 1 1.318 0.030 . 1 . . . . 9 LYS HG3 . 10095 1 29 . 1 1 9 9 LYS HD2 H 1 1.726 0.030 . 1 . . . . 9 LYS HD2 . 10095 1 30 . 1 1 9 9 LYS HD3 H 1 1.726 0.030 . 1 . . . . 9 LYS HD3 . 10095 1 31 . 1 1 9 9 LYS HE2 H 1 2.994 0.030 . 2 . . . . 9 LYS HE2 . 10095 1 32 . 1 1 9 9 LYS HE3 H 1 3.064 0.030 . 2 . . . . 9 LYS HE3 . 10095 1 33 . 1 1 9 9 LYS C C 13 177.984 0.300 . 1 . . . . 9 LYS C . 10095 1 34 . 1 1 9 9 LYS CA C 13 60.816 0.300 . 1 . . . . 9 LYS CA . 10095 1 35 . 1 1 9 9 LYS CB C 13 31.586 0.300 . 1 . . . . 9 LYS CB . 10095 1 36 . 1 1 9 9 LYS CG C 13 25.893 0.300 . 1 . . . . 9 LYS CG . 10095 1 37 . 1 1 9 9 LYS CD C 13 29.665 0.300 . 1 . . . . 9 LYS CD . 10095 1 38 . 1 1 9 9 LYS CE C 13 42.228 0.300 . 1 . . . . 9 LYS CE . 10095 1 39 . 1 1 9 9 LYS N N 15 118.851 0.300 . 1 . . . . 9 LYS N . 10095 1 40 . 1 1 10 10 ALA H H 1 7.906 0.030 . 1 . . . . 10 ALA H . 10095 1 41 . 1 1 10 10 ALA HA H 1 4.169 0.030 . 1 . . . . 10 ALA HA . 10095 1 42 . 1 1 10 10 ALA HB1 H 1 1.502 0.030 . 1 . . . . 10 ALA HB . 10095 1 43 . 1 1 10 10 ALA HB2 H 1 1.502 0.030 . 1 . . . . 10 ALA HB . 10095 1 44 . 1 1 10 10 ALA HB3 H 1 1.502 0.030 . 1 . . . . 10 ALA HB . 10095 1 45 . 1 1 10 10 ALA C C 13 181.027 0.300 . 1 . . . . 10 ALA C . 10095 1 46 . 1 1 10 10 ALA CA C 13 55.122 0.300 . 1 . . . . 10 ALA CA . 10095 1 47 . 1 1 10 10 ALA CB C 13 18.072 0.300 . 1 . . . . 10 ALA CB . 10095 1 48 . 1 1 10 10 ALA N N 15 120.577 0.300 . 1 . . . . 10 ALA N . 10095 1 49 . 1 1 11 11 GLU H H 1 8.180 0.030 . 1 . . . . 11 GLU H . 10095 1 50 . 1 1 11 11 GLU HA H 1 4.165 0.030 . 1 . . . . 11 GLU HA . 10095 1 51 . 1 1 11 11 GLU HB2 H 1 2.266 0.030 . 1 . . . . 11 GLU HB2 . 10095 1 52 . 1 1 11 11 GLU HB3 H 1 2.266 0.030 . 1 . . . . 11 GLU HB3 . 10095 1 53 . 1 1 11 11 GLU HG2 H 1 2.592 0.030 . 2 . . . . 11 GLU HG2 . 10095 1 54 . 1 1 11 11 GLU HG3 H 1 2.398 0.030 . 2 . . . . 11 GLU HG3 . 10095 1 55 . 1 1 11 11 GLU C C 13 180.286 0.300 . 1 . . . . 11 GLU C . 10095 1 56 . 1 1 11 11 GLU CA C 13 59.613 0.300 . 1 . . . . 11 GLU CA . 10095 1 57 . 1 1 11 11 GLU CB C 13 30.103 0.300 . 1 . . . . 11 GLU CB . 10095 1 58 . 1 1 11 11 GLU CG C 13 36.797 0.300 . 1 . . . . 11 GLU CG . 10095 1 59 . 1 1 11 11 GLU N N 15 120.628 0.300 . 1 . . . . 11 GLU N . 10095 1 60 . 1 1 12 12 LEU H H 1 8.916 0.030 . 1 . . . . 12 LEU H . 10095 1 61 . 1 1 12 12 LEU HA H 1 3.997 0.030 . 1 . . . . 12 LEU HA . 10095 1 62 . 1 1 12 12 LEU HB2 H 1 1.446 0.030 . 2 . . . . 12 LEU HB2 . 10095 1 63 . 1 1 12 12 LEU HB3 H 1 0.606 0.030 . 2 . . . . 12 LEU HB3 . 10095 1 64 . 1 1 12 12 LEU HG H 1 1.369 0.030 . 1 . . . . 12 LEU HG . 10095 1 65 . 1 1 12 12 LEU HD11 H 1 0.758 0.030 . 1 . . . . 12 LEU HD1 . 10095 1 66 . 1 1 12 12 LEU HD12 H 1 0.758 0.030 . 1 . . . . 12 LEU HD1 . 10095 1 67 . 1 1 12 12 LEU HD13 H 1 0.758 0.030 . 1 . . . . 12 LEU HD1 . 10095 1 68 . 1 1 12 12 LEU HD21 H 1 0.631 0.030 . 1 . . . . 12 LEU HD2 . 10095 1 69 . 1 1 12 12 LEU HD22 H 1 0.631 0.030 . 1 . . . . 12 LEU HD2 . 10095 1 70 . 1 1 12 12 LEU HD23 H 1 0.631 0.030 . 1 . . . . 12 LEU HD2 . 10095 1 71 . 1 1 12 12 LEU C C 13 178.260 0.300 . 1 . . . . 12 LEU C . 10095 1 72 . 1 1 12 12 LEU CA C 13 57.881 0.300 . 1 . . . . 12 LEU CA . 10095 1 73 . 1 1 12 12 LEU CB C 13 40.980 0.300 . 1 . . . . 12 LEU CB . 10095 1 74 . 1 1 12 12 LEU CG C 13 26.607 0.300 . 1 . . . . 12 LEU CG . 10095 1 75 . 1 1 12 12 LEU CD1 C 13 23.102 0.300 . 2 . . . . 12 LEU CD1 . 10095 1 76 . 1 1 12 12 LEU CD2 C 13 27.196 0.300 . 2 . . . . 12 LEU CD2 . 10095 1 77 . 1 1 12 12 LEU N N 15 122.952 0.300 . 1 . . . . 12 LEU N . 10095 1 78 . 1 1 13 13 ASN H H 1 8.633 0.030 . 1 . . . . 13 ASN H . 10095 1 79 . 1 1 13 13 ASN HA H 1 4.406 0.030 . 1 . . . . 13 ASN HA . 10095 1 80 . 1 1 13 13 ASN HB2 H 1 2.981 0.030 . 2 . . . . 13 ASN HB2 . 10095 1 81 . 1 1 13 13 ASN HB3 H 1 2.777 0.030 . 2 . . . . 13 ASN HB3 . 10095 1 82 . 1 1 13 13 ASN HD21 H 1 7.217 0.030 . 2 . . . . 13 ASN HD21 . 10095 1 83 . 1 1 13 13 ASN HD22 H 1 8.196 0.030 . 2 . . . . 13 ASN HD22 . 10095 1 84 . 1 1 13 13 ASN C C 13 178.130 0.300 . 1 . . . . 13 ASN C . 10095 1 85 . 1 1 13 13 ASN CA C 13 56.997 0.300 . 1 . . . . 13 ASN CA . 10095 1 86 . 1 1 13 13 ASN CB C 13 39.497 0.300 . 1 . . . . 13 ASN CB . 10095 1 87 . 1 1 13 13 ASN N N 15 116.653 0.300 . 1 . . . . 13 ASN N . 10095 1 88 . 1 1 13 13 ASN ND2 N 15 117.474 0.300 . 1 . . . . 13 ASN ND2 . 10095 1 89 . 1 1 14 14 GLU H H 1 8.208 0.030 . 1 . . . . 14 GLU H . 10095 1 90 . 1 1 14 14 GLU HA H 1 4.008 0.030 . 1 . . . . 14 GLU HA . 10095 1 91 . 1 1 14 14 GLU HB2 H 1 2.242 0.030 . 1 . . . . 14 GLU HB2 . 10095 1 92 . 1 1 14 14 GLU HB3 H 1 2.242 0.030 . 1 . . . . 14 GLU HB3 . 10095 1 93 . 1 1 14 14 GLU HG2 H 1 2.472 0.030 . 2 . . . . 14 GLU HG2 . 10095 1 94 . 1 1 14 14 GLU HG3 H 1 2.367 0.030 . 2 . . . . 14 GLU HG3 . 10095 1 95 . 1 1 14 14 GLU C C 13 178.201 0.300 . 1 . . . . 14 GLU C . 10095 1 96 . 1 1 14 14 GLU CA C 13 60.108 0.300 . 1 . . . . 14 GLU CA . 10095 1 97 . 1 1 14 14 GLU CB C 13 29.361 0.300 . 1 . . . . 14 GLU CB . 10095 1 98 . 1 1 14 14 GLU CG C 13 36.082 0.300 . 1 . . . . 14 GLU CG . 10095 1 99 . 1 1 14 14 GLU N N 15 122.154 0.300 . 1 . . . . 14 GLU N . 10095 1 100 . 1 1 15 15 PHE H H 1 7.910 0.030 . 1 . . . . 15 PHE H . 10095 1 101 . 1 1 15 15 PHE HA H 1 4.419 0.030 . 1 . . . . 15 PHE HA . 10095 1 102 . 1 1 15 15 PHE HB2 H 1 3.542 0.030 . 2 . . . . 15 PHE HB2 . 10095 1 103 . 1 1 15 15 PHE HB3 H 1 3.388 0.030 . 2 . . . . 15 PHE HB3 . 10095 1 104 . 1 1 15 15 PHE HD1 H 1 7.241 0.030 . 1 . . . . 15 PHE HD1 . 10095 1 105 . 1 1 15 15 PHE HD2 H 1 7.241 0.030 . 1 . . . . 15 PHE HD2 . 10095 1 106 . 1 1 15 15 PHE HE1 H 1 7.184 0.030 . 1 . . . . 15 PHE HE1 . 10095 1 107 . 1 1 15 15 PHE HE2 H 1 7.184 0.030 . 1 . . . . 15 PHE HE2 . 10095 1 108 . 1 1 15 15 PHE HZ H 1 7.187 0.030 . 1 . . . . 15 PHE HZ . 10095 1 109 . 1 1 15 15 PHE C C 13 177.263 0.300 . 1 . . . . 15 PHE C . 10095 1 110 . 1 1 15 15 PHE CA C 13 60.710 0.300 . 1 . . . . 15 PHE CA . 10095 1 111 . 1 1 15 15 PHE CB C 13 39.415 0.300 . 1 . . . . 15 PHE CB . 10095 1 112 . 1 1 15 15 PHE CD1 C 13 131.683 0.300 . 1 . . . . 15 PHE CD1 . 10095 1 113 . 1 1 15 15 PHE CD2 C 13 131.683 0.300 . 1 . . . . 15 PHE CD2 . 10095 1 114 . 1 1 15 15 PHE CE1 C 13 131.030 0.300 . 1 . . . . 15 PHE CE1 . 10095 1 115 . 1 1 15 15 PHE CE2 C 13 131.030 0.300 . 1 . . . . 15 PHE CE2 . 10095 1 116 . 1 1 15 15 PHE CZ C 13 131.034 0.300 . 1 . . . . 15 PHE CZ . 10095 1 117 . 1 1 15 15 PHE N N 15 119.899 0.300 . 1 . . . . 15 PHE N . 10095 1 118 . 1 1 16 16 LEU H H 1 8.708 0.030 . 1 . . . . 16 LEU H . 10095 1 119 . 1 1 16 16 LEU HA H 1 3.324 0.030 . 1 . . . . 16 LEU HA . 10095 1 120 . 1 1 16 16 LEU HB2 H 1 1.591 0.030 . 2 . . . . 16 LEU HB2 . 10095 1 121 . 1 1 16 16 LEU HB3 H 1 0.576 0.030 . 2 . . . . 16 LEU HB3 . 10095 1 122 . 1 1 16 16 LEU HG H 1 1.947 0.030 . 1 . . . . 16 LEU HG . 10095 1 123 . 1 1 16 16 LEU HD11 H 1 0.866 0.030 . 1 . . . . 16 LEU HD1 . 10095 1 124 . 1 1 16 16 LEU HD12 H 1 0.866 0.030 . 1 . . . . 16 LEU HD1 . 10095 1 125 . 1 1 16 16 LEU HD13 H 1 0.866 0.030 . 1 . . . . 16 LEU HD1 . 10095 1 126 . 1 1 16 16 LEU HD21 H 1 0.666 0.030 . 1 . . . . 16 LEU HD2 . 10095 1 127 . 1 1 16 16 LEU HD22 H 1 0.666 0.030 . 1 . . . . 16 LEU HD2 . 10095 1 128 . 1 1 16 16 LEU HD23 H 1 0.666 0.030 . 1 . . . . 16 LEU HD2 . 10095 1 129 . 1 1 16 16 LEU C C 13 177.384 0.300 . 1 . . . . 16 LEU C . 10095 1 130 . 1 1 16 16 LEU CA C 13 57.562 0.300 . 1 . . . . 16 LEU CA . 10095 1 131 . 1 1 16 16 LEU CB C 13 40.074 0.300 . 1 . . . . 16 LEU CB . 10095 1 132 . 1 1 16 16 LEU CG C 13 26.750 0.300 . 1 . . . . 16 LEU CG . 10095 1 133 . 1 1 16 16 LEU CD1 C 13 26.750 0.300 . 2 . . . . 16 LEU CD1 . 10095 1 134 . 1 1 16 16 LEU CD2 C 13 21.556 0.300 . 2 . . . . 16 LEU CD2 . 10095 1 135 . 1 1 16 16 LEU N N 15 118.851 0.300 . 1 . . . . 16 LEU N . 10095 1 136 . 1 1 17 17 THR H H 1 7.938 0.030 . 1 . . . . 17 THR H . 10095 1 137 . 1 1 17 17 THR HA H 1 3.450 0.030 . 1 . . . . 17 THR HA . 10095 1 138 . 1 1 17 17 THR HB H 1 4.237 0.030 . 1 . . . . 17 THR HB . 10095 1 139 . 1 1 17 17 THR HG21 H 1 1.251 0.030 . 1 . . . . 17 THR HG2 . 10095 1 140 . 1 1 17 17 THR HG22 H 1 1.251 0.030 . 1 . . . . 17 THR HG2 . 10095 1 141 . 1 1 17 17 THR HG23 H 1 1.251 0.030 . 1 . . . . 17 THR HG2 . 10095 1 142 . 1 1 17 17 THR C C 13 175.522 0.300 . 1 . . . . 17 THR C . 10095 1 143 . 1 1 17 17 THR CA C 13 66.863 0.300 . 1 . . . . 17 THR CA . 10095 1 144 . 1 1 17 17 THR CB C 13 68.998 0.300 . 1 . . . . 17 THR CB . 10095 1 145 . 1 1 17 17 THR CG2 C 13 20.790 0.300 . 1 . . . . 17 THR CG2 . 10095 1 146 . 1 1 17 17 THR N N 15 114.641 0.300 . 1 . . . . 17 THR N . 10095 1 147 . 1 1 18 18 ARG H H 1 6.728 0.030 . 1 . . . . 18 ARG H . 10095 1 148 . 1 1 18 18 ARG HA H 1 4.127 0.030 . 1 . . . . 18 ARG HA . 10095 1 149 . 1 1 18 18 ARG HB2 H 1 1.867 0.030 . 1 . . . . 18 ARG HB2 . 10095 1 150 . 1 1 18 18 ARG HB3 H 1 1.867 0.030 . 1 . . . . 18 ARG HB3 . 10095 1 151 . 1 1 18 18 ARG HG2 H 1 1.560 0.030 . 2 . . . . 18 ARG HG2 . 10095 1 152 . 1 1 18 18 ARG HG3 H 1 1.728 0.030 . 2 . . . . 18 ARG HG3 . 10095 1 153 . 1 1 18 18 ARG HD2 H 1 3.234 0.030 . 1 . . . . 18 ARG HD2 . 10095 1 154 . 1 1 18 18 ARG HD3 H 1 3.234 0.030 . 1 . . . . 18 ARG HD3 . 10095 1 155 . 1 1 18 18 ARG C C 13 178.641 0.300 . 1 . . . . 18 ARG C . 10095 1 156 . 1 1 18 18 ARG CA C 13 58.234 0.300 . 1 . . . . 18 ARG CA . 10095 1 157 . 1 1 18 18 ARG CB C 13 30.268 0.300 . 1 . . . . 18 ARG CB . 10095 1 158 . 1 1 18 18 ARG CG C 13 27.353 0.300 . 1 . . . . 18 ARG CG . 10095 1 159 . 1 1 18 18 ARG CD C 13 43.332 0.300 . 1 . . . . 18 ARG CD . 10095 1 160 . 1 1 18 18 ARG N N 15 117.663 0.300 . 1 . . . . 18 ARG N . 10095 1 161 . 1 1 19 19 GLU H H 1 7.817 0.030 . 1 . . . . 19 GLU H . 10095 1 162 . 1 1 19 19 GLU HA H 1 3.830 0.030 . 1 . . . . 19 GLU HA . 10095 1 163 . 1 1 19 19 GLU HB2 H 1 1.352 0.030 . 2 . . . . 19 GLU HB2 . 10095 1 164 . 1 1 19 19 GLU HB3 H 1 1.460 0.030 . 2 . . . . 19 GLU HB3 . 10095 1 165 . 1 1 19 19 GLU HG2 H 1 1.795 0.030 . 2 . . . . 19 GLU HG2 . 10095 1 166 . 1 1 19 19 GLU HG3 H 1 1.659 0.030 . 2 . . . . 19 GLU HG3 . 10095 1 167 . 1 1 19 19 GLU C C 13 177.983 0.300 . 1 . . . . 19 GLU C . 10095 1 168 . 1 1 19 19 GLU CA C 13 58.411 0.300 . 1 . . . . 19 GLU CA . 10095 1 169 . 1 1 19 19 GLU CB C 13 30.232 0.300 . 1 . . . . 19 GLU CB . 10095 1 170 . 1 1 19 19 GLU CG C 13 35.080 0.300 . 1 . . . . 19 GLU CG . 10095 1 171 . 1 1 19 19 GLU N N 15 118.849 0.300 . 1 . . . . 19 GLU N . 10095 1 172 . 1 1 20 20 LEU H H 1 8.183 0.030 . 1 . . . . 20 LEU H . 10095 1 173 . 1 1 20 20 LEU HA H 1 4.923 0.030 . 1 . . . . 20 LEU HA . 10095 1 174 . 1 1 20 20 LEU HB2 H 1 1.729 0.030 . 2 . . . . 20 LEU HB2 . 10095 1 175 . 1 1 20 20 LEU HB3 H 1 1.637 0.030 . 2 . . . . 20 LEU HB3 . 10095 1 176 . 1 1 20 20 LEU HG H 1 1.393 0.030 . 1 . . . . 20 LEU HG . 10095 1 177 . 1 1 20 20 LEU HD11 H 1 0.853 0.030 . 1 . . . . 20 LEU HD1 . 10095 1 178 . 1 1 20 20 LEU HD12 H 1 0.853 0.030 . 1 . . . . 20 LEU HD1 . 10095 1 179 . 1 1 20 20 LEU HD13 H 1 0.853 0.030 . 1 . . . . 20 LEU HD1 . 10095 1 180 . 1 1 20 20 LEU HD21 H 1 0.849 0.030 . 1 . . . . 20 LEU HD2 . 10095 1 181 . 1 1 20 20 LEU HD22 H 1 0.849 0.030 . 1 . . . . 20 LEU HD2 . 10095 1 182 . 1 1 20 20 LEU HD23 H 1 0.849 0.030 . 1 . . . . 20 LEU HD2 . 10095 1 183 . 1 1 20 20 LEU C C 13 177.968 0.300 . 1 . . . . 20 LEU C . 10095 1 184 . 1 1 20 20 LEU CA C 13 53.354 0.300 . 1 . . . . 20 LEU CA . 10095 1 185 . 1 1 20 20 LEU CB C 13 40.980 0.300 . 1 . . . . 20 LEU CB . 10095 1 186 . 1 1 20 20 LEU CG C 13 27.078 0.300 . 1 . . . . 20 LEU CG . 10095 1 187 . 1 1 20 20 LEU CD1 C 13 28.499 0.300 . 2 . . . . 20 LEU CD1 . 10095 1 188 . 1 1 20 20 LEU CD2 C 13 22.960 0.300 . 2 . . . . 20 LEU CD2 . 10095 1 189 . 1 1 20 20 LEU N N 15 114.950 0.300 . 1 . . . . 20 LEU N . 10095 1 190 . 1 1 21 21 ALA H H 1 6.988 0.030 . 1 . . . . 21 ALA H . 10095 1 191 . 1 1 21 21 ALA HA H 1 4.204 0.030 . 1 . . . . 21 ALA HA . 10095 1 192 . 1 1 21 21 ALA HB1 H 1 1.608 0.030 . 1 . . . . 21 ALA HB . 10095 1 193 . 1 1 21 21 ALA HB2 H 1 1.608 0.030 . 1 . . . . 21 ALA HB . 10095 1 194 . 1 1 21 21 ALA HB3 H 1 1.608 0.030 . 1 . . . . 21 ALA HB . 10095 1 195 . 1 1 21 21 ALA C C 13 180.561 0.300 . 1 . . . . 21 ALA C . 10095 1 196 . 1 1 21 21 ALA CA C 13 56.148 0.300 . 1 . . . . 21 ALA CA . 10095 1 197 . 1 1 21 21 ALA CB C 13 19.143 0.300 . 1 . . . . 21 ALA CB . 10095 1 198 . 1 1 21 21 ALA N N 15 123.566 0.300 . 1 . . . . 21 ALA N . 10095 1 199 . 1 1 22 22 GLU H H 1 8.715 0.030 . 1 . . . . 22 GLU H . 10095 1 200 . 1 1 22 22 GLU HA H 1 4.406 0.030 . 1 . . . . 22 GLU HA . 10095 1 201 . 1 1 22 22 GLU HB2 H 1 2.221 0.030 . 2 . . . . 22 GLU HB2 . 10095 1 202 . 1 1 22 22 GLU HB3 H 1 1.869 0.030 . 2 . . . . 22 GLU HB3 . 10095 1 203 . 1 1 22 22 GLU HG2 H 1 2.242 0.030 . 2 . . . . 22 GLU HG2 . 10095 1 204 . 1 1 22 22 GLU HG3 H 1 2.316 0.030 . 2 . . . . 22 GLU HG3 . 10095 1 205 . 1 1 22 22 GLU C C 13 177.180 0.300 . 1 . . . . 22 GLU C . 10095 1 206 . 1 1 22 22 GLU CA C 13 56.961 0.300 . 1 . . . . 22 GLU CA . 10095 1 207 . 1 1 22 22 GLU CB C 13 29.325 0.300 . 1 . . . . 22 GLU CB . 10095 1 208 . 1 1 22 22 GLU CG C 13 36.535 0.300 . 1 . . . . 22 GLU CG . 10095 1 209 . 1 1 22 22 GLU N N 15 114.938 0.300 . 1 . . . . 22 GLU N . 10095 1 210 . 1 1 23 23 ASP H H 1 7.791 0.030 . 1 . . . . 23 ASP H . 10095 1 211 . 1 1 23 23 ASP HA H 1 4.859 0.030 . 1 . . . . 23 ASP HA . 10095 1 212 . 1 1 23 23 ASP HB2 H 1 2.928 0.030 . 2 . . . . 23 ASP HB2 . 10095 1 213 . 1 1 23 23 ASP HB3 H 1 2.375 0.030 . 2 . . . . 23 ASP HB3 . 10095 1 214 . 1 1 23 23 ASP C C 13 175.117 0.300 . 1 . . . . 23 ASP C . 10095 1 215 . 1 1 23 23 ASP CA C 13 54.910 0.300 . 1 . . . . 23 ASP CA . 10095 1 216 . 1 1 23 23 ASP CB C 13 42.876 0.300 . 1 . . . . 23 ASP CB . 10095 1 217 . 1 1 23 23 ASP N N 15 118.528 0.300 . 1 . . . . 23 ASP N . 10095 1 218 . 1 1 24 24 GLY H H 1 8.149 0.030 . 1 . . . . 24 GLY H . 10095 1 219 . 1 1 24 24 GLY HA2 H 1 4.342 0.030 . 2 . . . . 24 GLY HA2 . 10095 1 220 . 1 1 24 24 GLY HA3 H 1 3.792 0.030 . 2 . . . . 24 GLY HA3 . 10095 1 221 . 1 1 24 24 GLY C C 13 176.464 0.300 . 1 . . . . 24 GLY C . 10095 1 222 . 1 1 24 24 GLY CA C 13 46.459 0.300 . 1 . . . . 24 GLY CA . 10095 1 223 . 1 1 24 24 GLY N N 15 108.434 0.300 . 1 . . . . 24 GLY N . 10095 1 224 . 1 1 25 25 TYR H H 1 7.668 0.030 . 1 . . . . 25 TYR H . 10095 1 225 . 1 1 25 25 TYR HA H 1 4.204 0.030 . 1 . . . . 25 TYR HA . 10095 1 226 . 1 1 25 25 TYR HB2 H 1 2.670 0.030 . 2 . . . . 25 TYR HB2 . 10095 1 227 . 1 1 25 25 TYR HB3 H 1 2.990 0.030 . 2 . . . . 25 TYR HB3 . 10095 1 228 . 1 1 25 25 TYR HD1 H 1 6.838 0.030 . 1 . . . . 25 TYR HD1 . 10095 1 229 . 1 1 25 25 TYR HD2 H 1 6.838 0.030 . 1 . . . . 25 TYR HD2 . 10095 1 230 . 1 1 25 25 TYR HE1 H 1 6.666 0.030 . 1 . . . . 25 TYR HE1 . 10095 1 231 . 1 1 25 25 TYR HE2 H 1 6.666 0.030 . 1 . . . . 25 TYR HE2 . 10095 1 232 . 1 1 25 25 TYR C C 13 175.829 0.300 . 1 . . . . 25 TYR C . 10095 1 233 . 1 1 25 25 TYR CA C 13 59.896 0.300 . 1 . . . . 25 TYR CA . 10095 1 234 . 1 1 25 25 TYR CB C 13 39.003 0.300 . 1 . . . . 25 TYR CB . 10095 1 235 . 1 1 25 25 TYR CD1 C 13 131.918 0.300 . 1 . . . . 25 TYR CD1 . 10095 1 236 . 1 1 25 25 TYR CD2 C 13 131.918 0.300 . 1 . . . . 25 TYR CD2 . 10095 1 237 . 1 1 25 25 TYR CE1 C 13 119.342 0.300 . 1 . . . . 25 TYR CE1 . 10095 1 238 . 1 1 25 25 TYR CE2 C 13 119.342 0.300 . 1 . . . . 25 TYR CE2 . 10095 1 239 . 1 1 25 25 TYR N N 15 120.679 0.300 . 1 . . . . 25 TYR N . 10095 1 240 . 1 1 26 26 SER H H 1 8.862 0.030 . 1 . . . . 26 SER H . 10095 1 241 . 1 1 26 26 SER HA H 1 4.512 0.030 . 1 . . . . 26 SER HA . 10095 1 242 . 1 1 26 26 SER HB2 H 1 3.588 0.030 . 2 . . . . 26 SER HB2 . 10095 1 243 . 1 1 26 26 SER HB3 H 1 3.322 0.030 . 2 . . . . 26 SER HB3 . 10095 1 244 . 1 1 26 26 SER C C 13 173.003 0.300 . 1 . . . . 26 SER C . 10095 1 245 . 1 1 26 26 SER CA C 13 57.775 0.300 . 1 . . . . 26 SER CA . 10095 1 246 . 1 1 26 26 SER CB C 13 65.207 0.300 . 1 . . . . 26 SER CB . 10095 1 247 . 1 1 26 26 SER N N 15 122.694 0.300 . 1 . . . . 26 SER N . 10095 1 248 . 1 1 27 27 GLY H H 1 6.257 0.030 . 1 . . . . 27 GLY H . 10095 1 249 . 1 1 27 27 GLY HA2 H 1 4.193 0.030 . 2 . . . . 27 GLY HA2 . 10095 1 250 . 1 1 27 27 GLY HA3 H 1 3.610 0.030 . 2 . . . . 27 GLY HA3 . 10095 1 251 . 1 1 27 27 GLY C C 13 169.062 0.300 . 1 . . . . 27 GLY C . 10095 1 252 . 1 1 27 27 GLY CA C 13 45.115 0.300 . 1 . . . . 27 GLY CA . 10095 1 253 . 1 1 27 27 GLY N N 15 108.061 0.300 . 1 . . . . 27 GLY N . 10095 1 254 . 1 1 28 28 VAL H H 1 8.036 0.030 . 1 . . . . 28 VAL H . 10095 1 255 . 1 1 28 28 VAL HA H 1 5.560 0.030 . 1 . . . . 28 VAL HA . 10095 1 256 . 1 1 28 28 VAL HB H 1 2.450 0.030 . 1 . . . . 28 VAL HB . 10095 1 257 . 1 1 28 28 VAL HG11 H 1 0.804 0.030 . 1 . . . . 28 VAL HG1 . 10095 1 258 . 1 1 28 28 VAL HG12 H 1 0.804 0.030 . 1 . . . . 28 VAL HG1 . 10095 1 259 . 1 1 28 28 VAL HG13 H 1 0.804 0.030 . 1 . . . . 28 VAL HG1 . 10095 1 260 . 1 1 28 28 VAL HG21 H 1 0.815 0.030 . 1 . . . . 28 VAL HG2 . 10095 1 261 . 1 1 28 28 VAL HG22 H 1 0.815 0.030 . 1 . . . . 28 VAL HG2 . 10095 1 262 . 1 1 28 28 VAL HG23 H 1 0.815 0.030 . 1 . . . . 28 VAL HG2 . 10095 1 263 . 1 1 28 28 VAL C C 13 173.421 0.300 . 1 . . . . 28 VAL C . 10095 1 264 . 1 1 28 28 VAL CA C 13 58.411 0.300 . 1 . . . . 28 VAL CA . 10095 1 265 . 1 1 28 28 VAL CB C 13 34.989 0.300 . 1 . . . . 28 VAL CB . 10095 1 266 . 1 1 28 28 VAL CG1 C 13 22.637 0.300 . 2 . . . . 28 VAL CG1 . 10095 1 267 . 1 1 28 28 VAL CG2 C 13 19.670 0.300 . 2 . . . . 28 VAL CG2 . 10095 1 268 . 1 1 28 28 VAL N N 15 113.595 0.300 . 1 . . . . 28 VAL N . 10095 1 269 . 1 1 29 29 GLU H H 1 8.998 0.030 . 1 . . . . 29 GLU H . 10095 1 270 . 1 1 29 29 GLU HA H 1 4.698 0.030 . 1 . . . . 29 GLU HA . 10095 1 271 . 1 1 29 29 GLU HB2 H 1 1.815 0.030 . 2 . . . . 29 GLU HB2 . 10095 1 272 . 1 1 29 29 GLU HB3 H 1 1.960 0.030 . 2 . . . . 29 GLU HB3 . 10095 1 273 . 1 1 29 29 GLU HG2 H 1 2.202 0.030 . 2 . . . . 29 GLU HG2 . 10095 1 274 . 1 1 29 29 GLU HG3 H 1 2.102 0.030 . 2 . . . . 29 GLU HG3 . 10095 1 275 . 1 1 29 29 GLU C C 13 174.688 0.300 . 1 . . . . 29 GLU C . 10095 1 276 . 1 1 29 29 GLU CA C 13 54.309 0.300 . 1 . . . . 29 GLU CA . 10095 1 277 . 1 1 29 29 GLU CB C 13 32.575 0.300 . 1 . . . . 29 GLU CB . 10095 1 278 . 1 1 29 29 GLU CG C 13 35.668 0.300 . 1 . . . . 29 GLU CG . 10095 1 279 . 1 1 29 29 GLU N N 15 125.739 0.300 . 1 . . . . 29 GLU N . 10095 1 280 . 1 1 30 30 VAL H H 1 8.764 0.030 . 1 . . . . 30 VAL H . 10095 1 281 . 1 1 30 30 VAL HA H 1 4.893 0.030 . 1 . . . . 30 VAL HA . 10095 1 282 . 1 1 30 30 VAL HB H 1 2.003 0.030 . 1 . . . . 30 VAL HB . 10095 1 283 . 1 1 30 30 VAL HG11 H 1 0.830 0.030 . 1 . . . . 30 VAL HG1 . 10095 1 284 . 1 1 30 30 VAL HG12 H 1 0.830 0.030 . 1 . . . . 30 VAL HG1 . 10095 1 285 . 1 1 30 30 VAL HG13 H 1 0.830 0.030 . 1 . . . . 30 VAL HG1 . 10095 1 286 . 1 1 30 30 VAL HG21 H 1 0.948 0.030 . 1 . . . . 30 VAL HG2 . 10095 1 287 . 1 1 30 30 VAL HG22 H 1 0.948 0.030 . 1 . . . . 30 VAL HG2 . 10095 1 288 . 1 1 30 30 VAL HG23 H 1 0.948 0.030 . 1 . . . . 30 VAL HG2 . 10095 1 289 . 1 1 30 30 VAL C C 13 175.282 0.300 . 1 . . . . 30 VAL C . 10095 1 290 . 1 1 30 30 VAL CA C 13 61.063 0.300 . 1 . . . . 30 VAL CA . 10095 1 291 . 1 1 30 30 VAL CB C 13 34.223 0.300 . 1 . . . . 30 VAL CB . 10095 1 292 . 1 1 30 30 VAL CG1 C 13 21.542 0.300 . 2 . . . . 30 VAL CG1 . 10095 1 293 . 1 1 30 30 VAL CG2 C 13 21.779 0.300 . 2 . . . . 30 VAL CG2 . 10095 1 294 . 1 1 30 30 VAL N N 15 122.674 0.300 . 1 . . . . 30 VAL N . 10095 1 295 . 1 1 31 31 ARG H H 1 9.476 0.030 . 1 . . . . 31 ARG H . 10095 1 296 . 1 1 31 31 ARG HA H 1 4.809 0.030 . 1 . . . . 31 ARG HA . 10095 1 297 . 1 1 31 31 ARG HB2 H 1 1.847 0.030 . 1 . . . . 31 ARG HB2 . 10095 1 298 . 1 1 31 31 ARG HB3 H 1 1.847 0.030 . 1 . . . . 31 ARG HB3 . 10095 1 299 . 1 1 31 31 ARG HG2 H 1 1.510 0.030 . 1 . . . . 31 ARG HG2 . 10095 1 300 . 1 1 31 31 ARG HG3 H 1 1.510 0.030 . 1 . . . . 31 ARG HG3 . 10095 1 301 . 1 1 31 31 ARG HD2 H 1 3.164 0.030 . 2 . . . . 31 ARG HD2 . 10095 1 302 . 1 1 31 31 ARG HD3 H 1 3.104 0.030 . 2 . . . . 31 ARG HD3 . 10095 1 303 . 1 1 31 31 ARG C C 13 174.319 0.300 . 1 . . . . 31 ARG C . 10095 1 304 . 1 1 31 31 ARG CA C 13 55.087 0.300 . 1 . . . . 31 ARG CA . 10095 1 305 . 1 1 31 31 ARG CB C 13 32.575 0.300 . 1 . . . . 31 ARG CB . 10095 1 306 . 1 1 31 31 ARG CG C 13 27.488 0.300 . 1 . . . . 31 ARG CG . 10095 1 307 . 1 1 31 31 ARG CD C 13 43.743 0.300 . 1 . . . . 31 ARG CD . 10095 1 308 . 1 1 31 31 ARG N N 15 129.047 0.300 . 1 . . . . 31 ARG N . 10095 1 309 . 1 1 32 32 VAL H H 1 8.873 0.030 . 1 . . . . 32 VAL H . 10095 1 310 . 1 1 32 32 VAL HA H 1 4.533 0.030 . 1 . . . . 32 VAL HA . 10095 1 311 . 1 1 32 32 VAL HB H 1 2.019 0.030 . 1 . . . . 32 VAL HB . 10095 1 312 . 1 1 32 32 VAL HG11 H 1 0.921 0.030 . 1 . . . . 32 VAL HG1 . 10095 1 313 . 1 1 32 32 VAL HG12 H 1 0.921 0.030 . 1 . . . . 32 VAL HG1 . 10095 1 314 . 1 1 32 32 VAL HG13 H 1 0.921 0.030 . 1 . . . . 32 VAL HG1 . 10095 1 315 . 1 1 32 32 VAL HG21 H 1 0.998 0.030 . 1 . . . . 32 VAL HG2 . 10095 1 316 . 1 1 32 32 VAL HG22 H 1 0.998 0.030 . 1 . . . . 32 VAL HG2 . 10095 1 317 . 1 1 32 32 VAL HG23 H 1 0.998 0.030 . 1 . . . . 32 VAL HG2 . 10095 1 318 . 1 1 32 32 VAL C C 13 176.003 0.300 . 1 . . . . 32 VAL C . 10095 1 319 . 1 1 32 32 VAL CA C 13 62.831 0.300 . 1 . . . . 32 VAL CA . 10095 1 320 . 1 1 32 32 VAL CB C 13 32.905 0.300 . 1 . . . . 32 VAL CB . 10095 1 321 . 1 1 32 32 VAL CG1 C 13 21.459 0.300 . 2 . . . . 32 VAL CG1 . 10095 1 322 . 1 1 32 32 VAL CG2 C 13 21.171 0.300 . 2 . . . . 32 VAL CG2 . 10095 1 323 . 1 1 32 32 VAL N N 15 125.654 0.300 . 1 . . . . 32 VAL N . 10095 1 324 . 1 1 33 33 THR H H 1 8.655 0.030 . 1 . . . . 33 THR H . 10095 1 325 . 1 1 33 33 THR HA H 1 5.066 0.030 . 1 . . . . 33 THR HA . 10095 1 326 . 1 1 33 33 THR HB H 1 4.715 0.030 . 1 . . . . 33 THR HB . 10095 1 327 . 1 1 33 33 THR HG21 H 1 1.162 0.030 . 1 . . . . 33 THR HG2 . 10095 1 328 . 1 1 33 33 THR HG22 H 1 1.162 0.030 . 1 . . . . 33 THR HG2 . 10095 1 329 . 1 1 33 33 THR HG23 H 1 1.162 0.030 . 1 . . . . 33 THR HG2 . 10095 1 330 . 1 1 33 33 THR C C 13 176.003 0.300 . 1 . . . . 33 THR C . 10095 1 331 . 1 1 33 33 THR CA C 13 59.109 0.300 . 1 . . . . 33 THR CA . 10095 1 332 . 1 1 33 33 THR CB C 13 68.750 0.300 . 1 . . . . 33 THR CB . 10095 1 333 . 1 1 33 33 THR CG2 C 13 21.284 0.300 . 1 . . . . 33 THR CG2 . 10095 1 334 . 1 1 33 33 THR N N 15 121.658 0.300 . 1 . . . . 33 THR N . 10095 1 335 . 1 1 34 34 PRO HA H 1 4.360 0.030 . 1 . . . . 34 PRO HA . 10095 1 336 . 1 1 34 34 PRO HB2 H 1 2.500 0.030 . 2 . . . . 34 PRO HB2 . 10095 1 337 . 1 1 34 34 PRO HB3 H 1 1.917 0.030 . 2 . . . . 34 PRO HB3 . 10095 1 338 . 1 1 34 34 PRO HG2 H 1 2.197 0.030 . 2 . . . . 34 PRO HG2 . 10095 1 339 . 1 1 34 34 PRO HG3 H 1 2.011 0.030 . 2 . . . . 34 PRO HG3 . 10095 1 340 . 1 1 34 34 PRO HD2 H 1 3.851 0.030 . 2 . . . . 34 PRO HD2 . 10095 1 341 . 1 1 34 34 PRO HD3 H 1 3.978 0.030 . 2 . . . . 34 PRO HD3 . 10095 1 342 . 1 1 34 34 PRO C C 13 177.535 0.300 . 1 . . . . 34 PRO C . 10095 1 343 . 1 1 34 34 PRO CA C 13 65.590 0.300 . 1 . . . . 34 PRO CA . 10095 1 344 . 1 1 34 34 PRO CB C 13 32.493 0.300 . 1 . . . . 34 PRO CB . 10095 1 345 . 1 1 34 34 PRO CG C 13 28.220 0.300 . 1 . . . . 34 PRO CG . 10095 1 346 . 1 1 34 34 PRO CD C 13 50.779 0.300 . 1 . . . . 34 PRO CD . 10095 1 347 . 1 1 35 35 THR H H 1 7.694 0.030 . 1 . . . . 35 THR H . 10095 1 348 . 1 1 35 35 THR HA H 1 4.503 0.030 . 1 . . . . 35 THR HA . 10095 1 349 . 1 1 35 35 THR HB H 1 4.284 0.030 . 1 . . . . 35 THR HB . 10095 1 350 . 1 1 35 35 THR HG21 H 1 1.152 0.030 . 1 . . . . 35 THR HG2 . 10095 1 351 . 1 1 35 35 THR HG22 H 1 1.152 0.030 . 1 . . . . 35 THR HG2 . 10095 1 352 . 1 1 35 35 THR HG23 H 1 1.152 0.030 . 1 . . . . 35 THR HG2 . 10095 1 353 . 1 1 35 35 THR C C 13 174.498 0.300 . 1 . . . . 35 THR C . 10095 1 354 . 1 1 35 35 THR CA C 13 61.311 0.300 . 1 . . . . 35 THR CA . 10095 1 355 . 1 1 35 35 THR CB C 13 70.399 0.300 . 1 . . . . 35 THR CB . 10095 1 356 . 1 1 35 35 THR CG2 C 13 22.035 0.300 . 1 . . . . 35 THR CG2 . 10095 1 357 . 1 1 35 35 THR N N 15 134.148 0.300 . 1 . . . . 35 THR N . 10095 1 358 . 1 1 36 36 ARG H H 1 7.616 0.030 . 1 . . . . 36 ARG H . 10095 1 359 . 1 1 36 36 ARG HA H 1 4.856 0.030 . 1 . . . . 36 ARG HA . 10095 1 360 . 1 1 36 36 ARG HB2 H 1 1.876 0.030 . 2 . . . . 36 ARG HB2 . 10095 1 361 . 1 1 36 36 ARG HB3 H 1 1.532 0.030 . 2 . . . . 36 ARG HB3 . 10095 1 362 . 1 1 36 36 ARG HG2 H 1 1.465 0.030 . 2 . . . . 36 ARG HG2 . 10095 1 363 . 1 1 36 36 ARG HG3 H 1 1.335 0.030 . 2 . . . . 36 ARG HG3 . 10095 1 364 . 1 1 36 36 ARG HD2 H 1 3.003 0.030 . 2 . . . . 36 ARG HD2 . 10095 1 365 . 1 1 36 36 ARG HD3 H 1 3.078 0.030 . 2 . . . . 36 ARG HD3 . 10095 1 366 . 1 1 36 36 ARG HE H 1 7.675 0.030 . 1 . . . . 36 ARG HE . 10095 1 367 . 1 1 36 36 ARG C C 13 174.582 0.300 . 1 . . . . 36 ARG C . 10095 1 368 . 1 1 36 36 ARG CA C 13 55.830 0.300 . 1 . . . . 36 ARG CA . 10095 1 369 . 1 1 36 36 ARG CB C 13 33.069 0.300 . 1 . . . . 36 ARG CB . 10095 1 370 . 1 1 36 36 ARG CG C 13 26.219 0.300 . 1 . . . . 36 ARG CG . 10095 1 371 . 1 1 36 36 ARG CD C 13 43.809 0.300 . 1 . . . . 36 ARG CD . 10095 1 372 . 1 1 36 36 ARG N N 15 120.132 0.300 . 1 . . . . 36 ARG N . 10095 1 373 . 1 1 36 36 ARG NE N 15 84.660 0.300 . 1 . . . . 36 ARG NE . 10095 1 374 . 1 1 37 37 THR H H 1 8.561 0.030 . 1 . . . . 37 THR H . 10095 1 375 . 1 1 37 37 THR HA H 1 4.833 0.030 . 1 . . . . 37 THR HA . 10095 1 376 . 1 1 37 37 THR HB H 1 3.725 0.030 . 1 . . . . 37 THR HB . 10095 1 377 . 1 1 37 37 THR HG21 H 1 1.034 0.030 . 1 . . . . 37 THR HG2 . 10095 1 378 . 1 1 37 37 THR HG22 H 1 1.034 0.030 . 1 . . . . 37 THR HG2 . 10095 1 379 . 1 1 37 37 THR HG23 H 1 1.034 0.030 . 1 . . . . 37 THR HG2 . 10095 1 380 . 1 1 37 37 THR C C 13 172.620 0.300 . 1 . . . . 37 THR C . 10095 1 381 . 1 1 37 37 THR CA C 13 63.468 0.300 . 1 . . . . 37 THR CA . 10095 1 382 . 1 1 37 37 THR CB C 13 69.739 0.300 . 1 . . . . 37 THR CB . 10095 1 383 . 1 1 37 37 THR CG2 C 13 21.126 0.300 . 1 . . . . 37 THR CG2 . 10095 1 384 . 1 1 37 37 THR N N 15 120.547 0.300 . 1 . . . . 37 THR N . 10095 1 385 . 1 1 38 38 GLU H H 1 9.327 0.030 . 1 . . . . 38 GLU H . 10095 1 386 . 1 1 38 38 GLU HA H 1 5.083 0.030 . 1 . . . . 38 GLU HA . 10095 1 387 . 1 1 38 38 GLU HB2 H 1 2.169 0.030 . 2 . . . . 38 GLU HB2 . 10095 1 388 . 1 1 38 38 GLU HB3 H 1 1.880 0.030 . 2 . . . . 38 GLU HB3 . 10095 1 389 . 1 1 38 38 GLU HG2 H 1 2.288 0.030 . 2 . . . . 38 GLU HG2 . 10095 1 390 . 1 1 38 38 GLU HG3 H 1 2.165 0.030 . 2 . . . . 38 GLU HG3 . 10095 1 391 . 1 1 38 38 GLU C C 13 174.616 0.300 . 1 . . . . 38 GLU C . 10095 1 392 . 1 1 38 38 GLU CA C 13 54.627 0.300 . 1 . . . . 38 GLU CA . 10095 1 393 . 1 1 38 38 GLU CB C 13 31.586 0.300 . 1 . . . . 38 GLU CB . 10095 1 394 . 1 1 38 38 GLU CG C 13 36.687 0.300 . 1 . . . . 38 GLU CG . 10095 1 395 . 1 1 38 38 GLU N N 15 127.054 0.300 . 1 . . . . 38 GLU N . 10095 1 396 . 1 1 39 39 ILE H H 1 8.994 0.030 . 1 . . . . 39 ILE H . 10095 1 397 . 1 1 39 39 ILE HA H 1 4.686 0.030 . 1 . . . . 39 ILE HA . 10095 1 398 . 1 1 39 39 ILE HB H 1 1.865 0.030 . 1 . . . . 39 ILE HB . 10095 1 399 . 1 1 39 39 ILE HG12 H 1 1.498 0.030 . 2 . . . . 39 ILE HG12 . 10095 1 400 . 1 1 39 39 ILE HG13 H 1 0.983 0.030 . 2 . . . . 39 ILE HG13 . 10095 1 401 . 1 1 39 39 ILE HG21 H 1 0.793 0.030 . 1 . . . . 39 ILE HG2 . 10095 1 402 . 1 1 39 39 ILE HG22 H 1 0.793 0.030 . 1 . . . . 39 ILE HG2 . 10095 1 403 . 1 1 39 39 ILE HG23 H 1 0.793 0.030 . 1 . . . . 39 ILE HG2 . 10095 1 404 . 1 1 39 39 ILE HD11 H 1 0.771 0.030 . 1 . . . . 39 ILE HD1 . 10095 1 405 . 1 1 39 39 ILE HD12 H 1 0.771 0.030 . 1 . . . . 39 ILE HD1 . 10095 1 406 . 1 1 39 39 ILE HD13 H 1 0.771 0.030 . 1 . . . . 39 ILE HD1 . 10095 1 407 . 1 1 39 39 ILE C C 13 173.383 0.300 . 1 . . . . 39 ILE C . 10095 1 408 . 1 1 39 39 ILE CA C 13 60.285 0.300 . 1 . . . . 39 ILE CA . 10095 1 409 . 1 1 39 39 ILE CB C 13 39.579 0.300 . 1 . . . . 39 ILE CB . 10095 1 410 . 1 1 39 39 ILE CG1 C 13 27.758 0.300 . 1 . . . . 39 ILE CG1 . 10095 1 411 . 1 1 39 39 ILE CG2 C 13 18.002 0.300 . 1 . . . . 39 ILE CG2 . 10095 1 412 . 1 1 39 39 ILE CD1 C 13 14.328 0.300 . 1 . . . . 39 ILE CD1 . 10095 1 413 . 1 1 39 39 ILE N N 15 124.714 0.300 . 1 . . . . 39 ILE N . 10095 1 414 . 1 1 40 40 ILE H H 1 9.357 0.030 . 1 . . . . 40 ILE H . 10095 1 415 . 1 1 40 40 ILE HA H 1 4.460 0.030 . 1 . . . . 40 ILE HA . 10095 1 416 . 1 1 40 40 ILE HB H 1 1.871 0.030 . 1 . . . . 40 ILE HB . 10095 1 417 . 1 1 40 40 ILE HG12 H 1 1.279 0.030 . 2 . . . . 40 ILE HG12 . 10095 1 418 . 1 1 40 40 ILE HG13 H 1 1.075 0.030 . 2 . . . . 40 ILE HG13 . 10095 1 419 . 1 1 40 40 ILE HG21 H 1 0.685 0.030 . 1 . . . . 40 ILE HG2 . 10095 1 420 . 1 1 40 40 ILE HG22 H 1 0.685 0.030 . 1 . . . . 40 ILE HG2 . 10095 1 421 . 1 1 40 40 ILE HG23 H 1 0.685 0.030 . 1 . . . . 40 ILE HG2 . 10095 1 422 . 1 1 40 40 ILE HD11 H 1 0.671 0.030 . 1 . . . . 40 ILE HD1 . 10095 1 423 . 1 1 40 40 ILE HD12 H 1 0.671 0.030 . 1 . . . . 40 ILE HD1 . 10095 1 424 . 1 1 40 40 ILE HD13 H 1 0.671 0.030 . 1 . . . . 40 ILE HD1 . 10095 1 425 . 1 1 40 40 ILE C C 13 174.673 0.300 . 1 . . . . 40 ILE C . 10095 1 426 . 1 1 40 40 ILE CA C 13 60.639 0.300 . 1 . . . . 40 ILE CA . 10095 1 427 . 1 1 40 40 ILE CB C 13 38.426 0.300 . 1 . . . . 40 ILE CB . 10095 1 428 . 1 1 40 40 ILE CG1 C 13 28.404 0.300 . 1 . . . . 40 ILE CG1 . 10095 1 429 . 1 1 40 40 ILE CG2 C 13 18.906 0.300 . 1 . . . . 40 ILE CG2 . 10095 1 430 . 1 1 40 40 ILE CD1 C 13 13.771 0.300 . 1 . . . . 40 ILE CD1 . 10095 1 431 . 1 1 40 40 ILE N N 15 128.557 0.300 . 1 . . . . 40 ILE N . 10095 1 432 . 1 1 41 41 ILE H H 1 9.217 0.030 . 1 . . . . 41 ILE H . 10095 1 433 . 1 1 41 41 ILE HA H 1 4.143 0.030 . 1 . . . . 41 ILE HA . 10095 1 434 . 1 1 41 41 ILE HB H 1 1.987 0.030 . 1 . . . . 41 ILE HB . 10095 1 435 . 1 1 41 41 ILE HG12 H 1 0.995 0.030 . 2 . . . . 41 ILE HG12 . 10095 1 436 . 1 1 41 41 ILE HG13 H 1 1.899 0.030 . 2 . . . . 41 ILE HG13 . 10095 1 437 . 1 1 41 41 ILE HG21 H 1 1.019 0.030 . 1 . . . . 41 ILE HG2 . 10095 1 438 . 1 1 41 41 ILE HG22 H 1 1.019 0.030 . 1 . . . . 41 ILE HG2 . 10095 1 439 . 1 1 41 41 ILE HG23 H 1 1.019 0.030 . 1 . . . . 41 ILE HG2 . 10095 1 440 . 1 1 41 41 ILE HD11 H 1 0.829 0.030 . 1 . . . . 41 ILE HD1 . 10095 1 441 . 1 1 41 41 ILE HD12 H 1 0.829 0.030 . 1 . . . . 41 ILE HD1 . 10095 1 442 . 1 1 41 41 ILE HD13 H 1 0.829 0.030 . 1 . . . . 41 ILE HD1 . 10095 1 443 . 1 1 41 41 ILE C C 13 173.938 0.300 . 1 . . . . 41 ILE C . 10095 1 444 . 1 1 41 41 ILE CA C 13 61.983 0.300 . 1 . . . . 41 ILE CA . 10095 1 445 . 1 1 41 41 ILE CB C 13 39.250 0.300 . 1 . . . . 41 ILE CB . 10095 1 446 . 1 1 41 41 ILE CG1 C 13 28.539 0.300 . 1 . . . . 41 ILE CG1 . 10095 1 447 . 1 1 41 41 ILE CG2 C 13 18.113 0.300 . 1 . . . . 41 ILE CG2 . 10095 1 448 . 1 1 41 41 ILE CD1 C 13 14.483 0.300 . 1 . . . . 41 ILE CD1 . 10095 1 449 . 1 1 41 41 ILE N N 15 127.795 0.300 . 1 . . . . 41 ILE N . 10095 1 450 . 1 1 42 42 LEU H H 1 8.680 0.030 . 1 . . . . 42 LEU H . 10095 1 451 . 1 1 42 42 LEU HA H 1 5.138 0.030 . 1 . . . . 42 LEU HA . 10095 1 452 . 1 1 42 42 LEU HB2 H 1 1.424 0.030 . 2 . . . . 42 LEU HB2 . 10095 1 453 . 1 1 42 42 LEU HB3 H 1 0.978 0.030 . 2 . . . . 42 LEU HB3 . 10095 1 454 . 1 1 42 42 LEU HG H 1 1.430 0.030 . 1 . . . . 42 LEU HG . 10095 1 455 . 1 1 42 42 LEU HD11 H 1 0.648 0.030 . 1 . . . . 42 LEU HD1 . 10095 1 456 . 1 1 42 42 LEU HD12 H 1 0.648 0.030 . 1 . . . . 42 LEU HD1 . 10095 1 457 . 1 1 42 42 LEU HD13 H 1 0.648 0.030 . 1 . . . . 42 LEU HD1 . 10095 1 458 . 1 1 42 42 LEU HD21 H 1 0.615 0.030 . 1 . . . . 42 LEU HD2 . 10095 1 459 . 1 1 42 42 LEU HD22 H 1 0.615 0.030 . 1 . . . . 42 LEU HD2 . 10095 1 460 . 1 1 42 42 LEU HD23 H 1 0.615 0.030 . 1 . . . . 42 LEU HD2 . 10095 1 461 . 1 1 42 42 LEU C C 13 176.067 0.300 . 1 . . . . 42 LEU C . 10095 1 462 . 1 1 42 42 LEU CA C 13 53.248 0.300 . 1 . . . . 42 LEU CA . 10095 1 463 . 1 1 42 42 LEU CB C 13 41.145 0.300 . 1 . . . . 42 LEU CB . 10095 1 464 . 1 1 42 42 LEU CG C 13 27.165 0.300 . 1 . . . . 42 LEU CG . 10095 1 465 . 1 1 42 42 LEU CD1 C 13 24.971 0.300 . 2 . . . . 42 LEU CD1 . 10095 1 466 . 1 1 42 42 LEU CD2 C 13 23.789 0.300 . 2 . . . . 42 LEU CD2 . 10095 1 467 . 1 1 42 42 LEU N N 15 128.853 0.300 . 1 . . . . 42 LEU N . 10095 1 468 . 1 1 43 43 ALA H H 1 8.462 0.030 . 1 . . . . 43 ALA H . 10095 1 469 . 1 1 43 43 ALA HA H 1 4.996 0.030 . 1 . . . . 43 ALA HA . 10095 1 470 . 1 1 43 43 ALA HB1 H 1 1.236 0.030 . 1 . . . . 43 ALA HB . 10095 1 471 . 1 1 43 43 ALA HB2 H 1 1.236 0.030 . 1 . . . . 43 ALA HB . 10095 1 472 . 1 1 43 43 ALA HB3 H 1 1.236 0.030 . 1 . . . . 43 ALA HB . 10095 1 473 . 1 1 43 43 ALA C C 13 176.543 0.300 . 1 . . . . 43 ALA C . 10095 1 474 . 1 1 43 43 ALA CA C 13 50.667 0.300 . 1 . . . . 43 ALA CA . 10095 1 475 . 1 1 43 43 ALA CB C 13 21.698 0.300 . 1 . . . . 43 ALA CB . 10095 1 476 . 1 1 43 43 ALA N N 15 124.815 0.300 . 1 . . . . 43 ALA N . 10095 1 477 . 1 1 44 44 THR H H 1 8.427 0.030 . 1 . . . . 44 THR H . 10095 1 478 . 1 1 44 44 THR HA H 1 4.501 0.030 . 1 . . . . 44 THR HA . 10095 1 479 . 1 1 44 44 THR HB H 1 4.300 0.030 . 1 . . . . 44 THR HB . 10095 1 480 . 1 1 44 44 THR HG21 H 1 1.274 0.030 . 1 . . . . 44 THR HG2 . 10095 1 481 . 1 1 44 44 THR HG22 H 1 1.274 0.030 . 1 . . . . 44 THR HG2 . 10095 1 482 . 1 1 44 44 THR HG23 H 1 1.274 0.030 . 1 . . . . 44 THR HG2 . 10095 1 483 . 1 1 44 44 THR C C 13 176.484 0.300 . 1 . . . . 44 THR C . 10095 1 484 . 1 1 44 44 THR CA C 13 63.963 0.300 . 1 . . . . 44 THR CA . 10095 1 485 . 1 1 44 44 THR CB C 13 68.668 0.300 . 1 . . . . 44 THR CB . 10095 1 486 . 1 1 44 44 THR CG2 C 13 22.639 0.300 . 1 . . . . 44 THR CG2 . 10095 1 487 . 1 1 44 44 THR N N 15 112.641 0.300 . 1 . . . . 44 THR N . 10095 1 488 . 1 1 45 45 ARG H H 1 7.576 0.030 . 1 . . . . 45 ARG H . 10095 1 489 . 1 1 45 45 ARG HA H 1 4.898 0.030 . 1 . . . . 45 ARG HA . 10095 1 490 . 1 1 45 45 ARG HB2 H 1 1.879 0.030 . 1 . . . . 45 ARG HB2 . 10095 1 491 . 1 1 45 45 ARG HB3 H 1 1.879 0.030 . 1 . . . . 45 ARG HB3 . 10095 1 492 . 1 1 45 45 ARG HG2 H 1 1.615 0.030 . 2 . . . . 45 ARG HG2 . 10095 1 493 . 1 1 45 45 ARG HG3 H 1 1.567 0.030 . 2 . . . . 45 ARG HG3 . 10095 1 494 . 1 1 45 45 ARG HD2 H 1 3.191 0.030 . 2 . . . . 45 ARG HD2 . 10095 1 495 . 1 1 45 45 ARG HD3 H 1 3.285 0.030 . 2 . . . . 45 ARG HD3 . 10095 1 496 . 1 1 45 45 ARG C C 13 176.484 0.300 . 1 . . . . 45 ARG C . 10095 1 497 . 1 1 45 45 ARG CA C 13 54.495 0.300 . 1 . . . . 45 ARG CA . 10095 1 498 . 1 1 45 45 ARG CB C 13 28.950 0.300 . 1 . . . . 45 ARG CB . 10095 1 499 . 1 1 45 45 ARG CG C 13 26.947 0.300 . 1 . . . . 45 ARG CG . 10095 1 500 . 1 1 45 45 ARG CD C 13 43.710 0.300 . 1 . . . . 45 ARG CD . 10095 1 501 . 1 1 45 45 ARG N N 15 121.550 0.300 . 1 . . . . 45 ARG N . 10095 1 502 . 1 1 46 46 THR HA H 1 3.671 0.030 . 1 . . . . 46 THR HA . 10095 1 503 . 1 1 46 46 THR HB H 1 4.070 0.030 . 1 . . . . 46 THR HB . 10095 1 504 . 1 1 46 46 THR HG21 H 1 1.112 0.030 . 1 . . . . 46 THR HG2 . 10095 1 505 . 1 1 46 46 THR HG22 H 1 1.112 0.030 . 1 . . . . 46 THR HG2 . 10095 1 506 . 1 1 46 46 THR HG23 H 1 1.112 0.030 . 1 . . . . 46 THR HG2 . 10095 1 507 . 1 1 46 46 THR C C 13 177.087 0.300 . 1 . . . . 46 THR C . 10095 1 508 . 1 1 46 46 THR CA C 13 65.514 0.300 . 1 . . . . 46 THR CA . 10095 1 509 . 1 1 46 46 THR CB C 13 68.325 0.300 . 1 . . . . 46 THR CB . 10095 1 510 . 1 1 46 46 THR CG2 C 13 23.315 0.300 . 1 . . . . 46 THR CG2 . 10095 1 511 . 1 1 47 47 GLN H H 1 9.111 0.030 . 1 . . . . 47 GLN H . 10095 1 512 . 1 1 47 47 GLN HA H 1 4.116 0.030 . 1 . . . . 47 GLN HA . 10095 1 513 . 1 1 47 47 GLN HB2 H 1 2.132 0.030 . 1 . . . . 47 GLN HB2 . 10095 1 514 . 1 1 47 47 GLN HB3 H 1 2.132 0.030 . 1 . . . . 47 GLN HB3 . 10095 1 515 . 1 1 47 47 GLN HG2 H 1 2.500 0.030 . 1 . . . . 47 GLN HG2 . 10095 1 516 . 1 1 47 47 GLN HG3 H 1 2.500 0.030 . 1 . . . . 47 GLN HG3 . 10095 1 517 . 1 1 47 47 GLN HE21 H 1 7.587 0.030 . 2 . . . . 47 GLN HE21 . 10095 1 518 . 1 1 47 47 GLN HE22 H 1 6.925 0.030 . 2 . . . . 47 GLN HE22 . 10095 1 519 . 1 1 47 47 GLN C C 13 178.148 0.300 . 1 . . . . 47 GLN C . 10095 1 520 . 1 1 47 47 GLN CA C 13 59.048 0.300 . 1 . . . . 47 GLN CA . 10095 1 521 . 1 1 47 47 GLN CB C 13 27.466 0.300 . 1 . . . . 47 GLN CB . 10095 1 522 . 1 1 47 47 GLN CG C 13 33.513 0.300 . 1 . . . . 47 GLN CG . 10095 1 523 . 1 1 47 47 GLN N N 15 121.207 0.300 . 1 . . . . 47 GLN N . 10095 1 524 . 1 1 47 47 GLN NE2 N 15 112.713 0.300 . 1 . . . . 47 GLN NE2 . 10095 1 525 . 1 1 48 48 ASN H H 1 7.677 0.030 . 1 . . . . 48 ASN H . 10095 1 526 . 1 1 48 48 ASN HA H 1 4.527 0.030 . 1 . . . . 48 ASN HA . 10095 1 527 . 1 1 48 48 ASN HB2 H 1 2.876 0.030 . 2 . . . . 48 ASN HB2 . 10095 1 528 . 1 1 48 48 ASN HB3 H 1 2.935 0.030 . 2 . . . . 48 ASN HB3 . 10095 1 529 . 1 1 48 48 ASN HD21 H 1 6.914 0.030 . 2 . . . . 48 ASN HD21 . 10095 1 530 . 1 1 48 48 ASN HD22 H 1 8.331 0.030 . 2 . . . . 48 ASN HD22 . 10095 1 531 . 1 1 48 48 ASN C C 13 177.576 0.300 . 1 . . . . 48 ASN C . 10095 1 532 . 1 1 48 48 ASN CA C 13 54.557 0.300 . 1 . . . . 48 ASN CA . 10095 1 533 . 1 1 48 48 ASN CB C 13 38.168 0.300 . 1 . . . . 48 ASN CB . 10095 1 534 . 1 1 48 48 ASN N N 15 117.954 0.300 . 1 . . . . 48 ASN N . 10095 1 535 . 1 1 48 48 ASN ND2 N 15 112.730 0.300 . 1 . . . . 48 ASN ND2 . 10095 1 536 . 1 1 49 49 VAL H H 1 7.371 0.030 . 1 . . . . 49 VAL H . 10095 1 537 . 1 1 49 49 VAL HA H 1 3.480 0.030 . 1 . . . . 49 VAL HA . 10095 1 538 . 1 1 49 49 VAL HB H 1 2.054 0.030 . 1 . . . . 49 VAL HB . 10095 1 539 . 1 1 49 49 VAL HG11 H 1 0.808 0.030 . 1 . . . . 49 VAL HG1 . 10095 1 540 . 1 1 49 49 VAL HG12 H 1 0.808 0.030 . 1 . . . . 49 VAL HG1 . 10095 1 541 . 1 1 49 49 VAL HG13 H 1 0.808 0.030 . 1 . . . . 49 VAL HG1 . 10095 1 542 . 1 1 49 49 VAL HG21 H 1 0.926 0.030 . 1 . . . . 49 VAL HG2 . 10095 1 543 . 1 1 49 49 VAL HG22 H 1 0.926 0.030 . 1 . . . . 49 VAL HG2 . 10095 1 544 . 1 1 49 49 VAL HG23 H 1 0.926 0.030 . 1 . . . . 49 VAL HG2 . 10095 1 545 . 1 1 49 49 VAL C C 13 174.539 0.300 . 1 . . . . 49 VAL C . 10095 1 546 . 1 1 49 49 VAL CA C 13 65.943 0.300 . 1 . . . . 49 VAL CA . 10095 1 547 . 1 1 49 49 VAL CB C 13 31.504 0.300 . 1 . . . . 49 VAL CB . 10095 1 548 . 1 1 49 49 VAL CG1 C 13 21.850 0.300 . 2 . . . . 49 VAL CG1 . 10095 1 549 . 1 1 49 49 VAL CG2 C 13 22.530 0.300 . 2 . . . . 49 VAL CG2 . 10095 1 550 . 1 1 49 49 VAL N N 15 121.223 0.300 . 1 . . . . 49 VAL N . 10095 1 551 . 1 1 50 50 LEU H H 1 7.626 0.030 . 1 . . . . 50 LEU H . 10095 1 552 . 1 1 50 50 LEU HA H 1 3.995 0.030 . 1 . . . . 50 LEU HA . 10095 1 553 . 1 1 50 50 LEU HB2 H 1 1.604 0.030 . 2 . . . . 50 LEU HB2 . 10095 1 554 . 1 1 50 50 LEU HB3 H 1 1.867 0.030 . 2 . . . . 50 LEU HB3 . 10095 1 555 . 1 1 50 50 LEU HG H 1 1.750 0.030 . 1 . . . . 50 LEU HG . 10095 1 556 . 1 1 50 50 LEU HD11 H 1 0.969 0.030 . 1 . . . . 50 LEU HD1 . 10095 1 557 . 1 1 50 50 LEU HD12 H 1 0.969 0.030 . 1 . . . . 50 LEU HD1 . 10095 1 558 . 1 1 50 50 LEU HD13 H 1 0.969 0.030 . 1 . . . . 50 LEU HD1 . 10095 1 559 . 1 1 50 50 LEU HD21 H 1 0.977 0.030 . 1 . . . . 50 LEU HD2 . 10095 1 560 . 1 1 50 50 LEU HD22 H 1 0.977 0.030 . 1 . . . . 50 LEU HD2 . 10095 1 561 . 1 1 50 50 LEU HD23 H 1 0.977 0.030 . 1 . . . . 50 LEU HD2 . 10095 1 562 . 1 1 50 50 LEU C C 13 180.325 0.300 . 1 . . . . 50 LEU C . 10095 1 563 . 1 1 50 50 LEU CA C 13 57.704 0.300 . 1 . . . . 50 LEU CA . 10095 1 564 . 1 1 50 50 LEU CB C 13 43.040 0.300 . 1 . . . . 50 LEU CB . 10095 1 565 . 1 1 50 50 LEU CG C 13 27.299 0.300 . 1 . . . . 50 LEU CG . 10095 1 566 . 1 1 50 50 LEU CD1 C 13 25.232 0.300 . 2 . . . . 50 LEU CD1 . 10095 1 567 . 1 1 50 50 LEU CD2 C 13 23.413 0.300 . 2 . . . . 50 LEU CD2 . 10095 1 568 . 1 1 50 50 LEU N N 15 114.666 0.300 . 1 . . . . 50 LEU N . 10095 1 569 . 1 1 51 51 GLY H H 1 7.684 0.030 . 1 . . . . 51 GLY H . 10095 1 570 . 1 1 51 51 GLY HA2 H 1 4.040 0.030 . 2 . . . . 51 GLY HA2 . 10095 1 571 . 1 1 51 51 GLY HA3 H 1 3.970 0.030 . 2 . . . . 51 GLY HA3 . 10095 1 572 . 1 1 51 51 GLY C C 13 173.698 0.300 . 1 . . . . 51 GLY C . 10095 1 573 . 1 1 51 51 GLY CA C 13 44.231 0.300 . 1 . . . . 51 GLY CA . 10095 1 574 . 1 1 51 51 GLY N N 15 103.124 0.300 . 1 . . . . 51 GLY N . 10095 1 575 . 1 1 52 52 GLU H H 1 8.790 0.030 . 1 . . . . 52 GLU H . 10095 1 576 . 1 1 52 52 GLU HA H 1 4.148 0.030 . 1 . . . . 52 GLU HA . 10095 1 577 . 1 1 52 52 GLU HB2 H 1 2.027 0.030 . 1 . . . . 52 GLU HB2 . 10095 1 578 . 1 1 52 52 GLU HB3 H 1 2.027 0.030 . 1 . . . . 52 GLU HB3 . 10095 1 579 . 1 1 52 52 GLU HG2 H 1 2.260 0.030 . 2 . . . . 52 GLU HG2 . 10095 1 580 . 1 1 52 52 GLU HG3 H 1 2.315 0.030 . 2 . . . . 52 GLU HG3 . 10095 1 581 . 1 1 52 52 GLU C C 13 173.698 0.300 . 1 . . . . 52 GLU C . 10095 1 582 . 1 1 52 52 GLU CA C 13 58.038 0.300 . 1 . . . . 52 GLU CA . 10095 1 583 . 1 1 52 52 GLU CB C 13 29.280 0.300 . 1 . . . . 52 GLU CB . 10095 1 584 . 1 1 52 52 GLU CG C 13 36.228 0.300 . 1 . . . . 52 GLU CG . 10095 1 585 . 1 1 52 52 GLU N N 15 122.250 0.300 . 1 . . . . 52 GLU N . 10095 1 586 . 1 1 53 53 LYS H H 1 9.491 0.030 . 1 . . . . 53 LYS H . 10095 1 587 . 1 1 53 53 LYS HA H 1 4.018 0.030 . 1 . . . . 53 LYS HA . 10095 1 588 . 1 1 53 53 LYS HB2 H 1 2.125 0.030 . 2 . . . . 53 LYS HB2 . 10095 1 589 . 1 1 53 53 LYS HB3 H 1 1.921 0.030 . 2 . . . . 53 LYS HB3 . 10095 1 590 . 1 1 53 53 LYS HG2 H 1 1.516 0.030 . 2 . . . . 53 LYS HG2 . 10095 1 591 . 1 1 53 53 LYS HG3 H 1 1.461 0.030 . 2 . . . . 53 LYS HG3 . 10095 1 592 . 1 1 53 53 LYS HD2 H 1 1.765 0.030 . 2 . . . . 53 LYS HD2 . 10095 1 593 . 1 1 53 53 LYS HD3 H 1 1.698 0.030 . 2 . . . . 53 LYS HD3 . 10095 1 594 . 1 1 53 53 LYS HE2 H 1 3.052 0.030 . 1 . . . . 53 LYS HE2 . 10095 1 595 . 1 1 53 53 LYS HE3 H 1 3.052 0.030 . 1 . . . . 53 LYS HE3 . 10095 1 596 . 1 1 53 53 LYS C C 13 176.793 0.300 . 1 . . . . 53 LYS C . 10095 1 597 . 1 1 53 53 LYS CA C 13 57.209 0.300 . 1 . . . . 53 LYS CA . 10095 1 598 . 1 1 53 53 LYS CB C 13 30.432 0.300 . 1 . . . . 53 LYS CB . 10095 1 599 . 1 1 53 53 LYS CG C 13 25.534 0.300 . 1 . . . . 53 LYS CG . 10095 1 600 . 1 1 53 53 LYS CD C 13 29.326 0.300 . 1 . . . . 53 LYS CD . 10095 1 601 . 1 1 53 53 LYS CE C 13 42.333 0.300 . 1 . . . . 53 LYS CE . 10095 1 602 . 1 1 53 53 LYS N N 15 124.168 0.300 . 1 . . . . 53 LYS N . 10095 1 603 . 1 1 54 54 GLY H H 1 7.870 0.030 . 1 . . . . 54 GLY H . 10095 1 604 . 1 1 54 54 GLY HA2 H 1 3.746 0.030 . 2 . . . . 54 GLY HA2 . 10095 1 605 . 1 1 54 54 GLY HA3 H 1 4.092 0.030 . 2 . . . . 54 GLY HA3 . 10095 1 606 . 1 1 54 54 GLY C C 13 176.263 0.300 . 1 . . . . 54 GLY C . 10095 1 607 . 1 1 54 54 GLY CA C 13 46.388 0.300 . 1 . . . . 54 GLY CA . 10095 1 608 . 1 1 54 54 GLY N N 15 105.639 0.300 . 1 . . . . 54 GLY N . 10095 1 609 . 1 1 55 55 ARG H H 1 7.903 0.030 . 1 . . . . 55 ARG H . 10095 1 610 . 1 1 55 55 ARG HA H 1 3.935 0.030 . 1 . . . . 55 ARG HA . 10095 1 611 . 1 1 55 55 ARG HB2 H 1 2.047 0.030 . 2 . . . . 55 ARG HB2 . 10095 1 612 . 1 1 55 55 ARG HB3 H 1 1.892 0.030 . 2 . . . . 55 ARG HB3 . 10095 1 613 . 1 1 55 55 ARG HG2 H 1 1.741 0.030 . 1 . . . . 55 ARG HG2 . 10095 1 614 . 1 1 55 55 ARG HG3 H 1 1.741 0.030 . 1 . . . . 55 ARG HG3 . 10095 1 615 . 1 1 55 55 ARG HD2 H 1 3.249 0.030 . 1 . . . . 55 ARG HD2 . 10095 1 616 . 1 1 55 55 ARG HD3 H 1 3.249 0.030 . 1 . . . . 55 ARG HD3 . 10095 1 617 . 1 1 55 55 ARG C C 13 178.415 0.300 . 1 . . . . 55 ARG C . 10095 1 618 . 1 1 55 55 ARG CA C 13 59.684 0.300 . 1 . . . . 55 ARG CA . 10095 1 619 . 1 1 55 55 ARG CB C 13 30.350 0.300 . 1 . . . . 55 ARG CB . 10095 1 620 . 1 1 55 55 ARG CG C 13 27.117 0.300 . 1 . . . . 55 ARG CG . 10095 1 621 . 1 1 55 55 ARG CD C 13 43.617 0.300 . 1 . . . . 55 ARG CD . 10095 1 622 . 1 1 55 55 ARG N N 15 118.738 0.300 . 1 . . . . 55 ARG N . 10095 1 623 . 1 1 56 56 ARG H H 1 8.122 0.030 . 1 . . . . 56 ARG H . 10095 1 624 . 1 1 56 56 ARG HA H 1 4.249 0.030 . 1 . . . . 56 ARG HA . 10095 1 625 . 1 1 56 56 ARG HB2 H 1 1.715 0.030 . 2 . . . . 56 ARG HB2 . 10095 1 626 . 1 1 56 56 ARG HB3 H 1 1.765 0.030 . 2 . . . . 56 ARG HB3 . 10095 1 627 . 1 1 56 56 ARG HG2 H 1 1.717 0.030 . 2 . . . . 56 ARG HG2 . 10095 1 628 . 1 1 56 56 ARG HG3 H 1 1.688 0.030 . 2 . . . . 56 ARG HG3 . 10095 1 629 . 1 1 56 56 ARG HD2 H 1 3.326 0.030 . 2 . . . . 56 ARG HD2 . 10095 1 630 . 1 1 56 56 ARG HD3 H 1 3.146 0.030 . 2 . . . . 56 ARG HD3 . 10095 1 631 . 1 1 56 56 ARG HE H 1 7.292 0.030 . 1 . . . . 56 ARG HE . 10095 1 632 . 1 1 56 56 ARG C C 13 179.072 0.300 . 1 . . . . 56 ARG C . 10095 1 633 . 1 1 56 56 ARG CA C 13 59.295 0.300 . 1 . . . . 56 ARG CA . 10095 1 634 . 1 1 56 56 ARG CB C 13 28.986 0.300 . 1 . . . . 56 ARG CB . 10095 1 635 . 1 1 56 56 ARG CG C 13 27.864 0.300 . 1 . . . . 56 ARG CG . 10095 1 636 . 1 1 56 56 ARG CD C 13 43.471 0.300 . 1 . . . . 56 ARG CD . 10095 1 637 . 1 1 56 56 ARG N N 15 120.086 0.300 . 1 . . . . 56 ARG N . 10095 1 638 . 1 1 56 56 ARG NE N 15 85.220 0.300 . 1 . . . . 56 ARG NE . 10095 1 639 . 1 1 57 57 ILE H H 1 7.771 0.030 . 1 . . . . 57 ILE H . 10095 1 640 . 1 1 57 57 ILE HA H 1 4.122 0.030 . 1 . . . . 57 ILE HA . 10095 1 641 . 1 1 57 57 ILE HB H 1 2.040 0.030 . 1 . . . . 57 ILE HB . 10095 1 642 . 1 1 57 57 ILE HG12 H 1 1.285 0.030 . 2 . . . . 57 ILE HG12 . 10095 1 643 . 1 1 57 57 ILE HG13 H 1 1.376 0.030 . 2 . . . . 57 ILE HG13 . 10095 1 644 . 1 1 57 57 ILE HG21 H 1 1.103 0.030 . 1 . . . . 57 ILE HG2 . 10095 1 645 . 1 1 57 57 ILE HG22 H 1 1.103 0.030 . 1 . . . . 57 ILE HG2 . 10095 1 646 . 1 1 57 57 ILE HG23 H 1 1.103 0.030 . 1 . . . . 57 ILE HG2 . 10095 1 647 . 1 1 57 57 ILE HD11 H 1 0.689 0.030 . 1 . . . . 57 ILE HD1 . 10095 1 648 . 1 1 57 57 ILE HD12 H 1 0.689 0.030 . 1 . . . . 57 ILE HD1 . 10095 1 649 . 1 1 57 57 ILE HD13 H 1 0.689 0.030 . 1 . . . . 57 ILE HD1 . 10095 1 650 . 1 1 57 57 ILE C C 13 178.787 0.300 . 1 . . . . 57 ILE C . 10095 1 651 . 1 1 57 57 ILE CA C 13 64.034 0.300 . 1 . . . . 57 ILE CA . 10095 1 652 . 1 1 57 57 ILE CB C 13 38.096 0.300 . 1 . . . . 57 ILE CB . 10095 1 653 . 1 1 57 57 ILE CG1 C 13 30.345 0.300 . 1 . . . . 57 ILE CG1 . 10095 1 654 . 1 1 57 57 ILE CG2 C 13 17.095 0.300 . 1 . . . . 57 ILE CG2 . 10095 1 655 . 1 1 57 57 ILE CD1 C 13 14.005 0.300 . 1 . . . . 57 ILE CD1 . 10095 1 656 . 1 1 57 57 ILE N N 15 120.818 0.300 . 1 . . . . 57 ILE N . 10095 1 657 . 1 1 58 58 ARG H H 1 7.889 0.030 . 1 . . . . 58 ARG H . 10095 1 658 . 1 1 58 58 ARG HA H 1 4.154 0.030 . 1 . . . . 58 ARG HA . 10095 1 659 . 1 1 58 58 ARG HB2 H 1 2.035 0.030 . 2 . . . . 58 ARG HB2 . 10095 1 660 . 1 1 58 58 ARG HB3 H 1 1.983 0.030 . 2 . . . . 58 ARG HB3 . 10095 1 661 . 1 1 58 58 ARG HG2 H 1 1.675 0.030 . 2 . . . . 58 ARG HG2 . 10095 1 662 . 1 1 58 58 ARG HG3 H 1 1.919 0.030 . 2 . . . . 58 ARG HG3 . 10095 1 663 . 1 1 58 58 ARG HD2 H 1 3.256 0.030 . 1 . . . . 58 ARG HD2 . 10095 1 664 . 1 1 58 58 ARG HD3 H 1 3.256 0.030 . 1 . . . . 58 ARG HD3 . 10095 1 665 . 1 1 58 58 ARG C C 13 179.363 0.300 . 1 . . . . 58 ARG C . 10095 1 666 . 1 1 58 58 ARG CA C 13 60.250 0.300 . 1 . . . . 58 ARG CA . 10095 1 667 . 1 1 58 58 ARG CB C 13 29.892 0.300 . 1 . . . . 58 ARG CB . 10095 1 668 . 1 1 58 58 ARG CG C 13 27.747 0.300 . 1 . . . . 58 ARG CG . 10095 1 669 . 1 1 58 58 ARG CD C 13 43.363 0.300 . 1 . . . . 58 ARG CD . 10095 1 670 . 1 1 58 58 ARG N N 15 125.244 0.300 . 1 . . . . 58 ARG N . 10095 1 671 . 1 1 59 59 GLU H H 1 7.945 0.030 . 1 . . . . 59 GLU H . 10095 1 672 . 1 1 59 59 GLU HA H 1 4.203 0.030 . 1 . . . . 59 GLU HA . 10095 1 673 . 1 1 59 59 GLU HB2 H 1 2.219 0.030 . 2 . . . . 59 GLU HB2 . 10095 1 674 . 1 1 59 59 GLU HB3 H 1 2.340 0.030 . 2 . . . . 59 GLU HB3 . 10095 1 675 . 1 1 59 59 GLU HG2 H 1 2.540 0.030 . 2 . . . . 59 GLU HG2 . 10095 1 676 . 1 1 59 59 GLU HG3 H 1 2.316 0.030 . 2 . . . . 59 GLU HG3 . 10095 1 677 . 1 1 59 59 GLU C C 13 179.675 0.300 . 1 . . . . 59 GLU C . 10095 1 678 . 1 1 59 59 GLU CA C 13 59.613 0.300 . 1 . . . . 59 GLU CA . 10095 1 679 . 1 1 59 59 GLU CB C 13 29.325 0.300 . 1 . . . . 59 GLU CB . 10095 1 680 . 1 1 59 59 GLU CG C 13 36.461 0.300 . 1 . . . . 59 GLU CG . 10095 1 681 . 1 1 59 59 GLU N N 15 122.650 0.300 . 1 . . . . 59 GLU N . 10095 1 682 . 1 1 60 60 LEU H H 1 8.900 0.030 . 1 . . . . 60 LEU H . 10095 1 683 . 1 1 60 60 LEU HA H 1 4.187 0.030 . 1 . . . . 60 LEU HA . 10095 1 684 . 1 1 60 60 LEU HB2 H 1 1.851 0.030 . 2 . . . . 60 LEU HB2 . 10095 1 685 . 1 1 60 60 LEU HB3 H 1 1.405 0.030 . 2 . . . . 60 LEU HB3 . 10095 1 686 . 1 1 60 60 LEU HG H 1 1.811 0.030 . 1 . . . . 60 LEU HG . 10095 1 687 . 1 1 60 60 LEU HD11 H 1 0.852 0.030 . 1 . . . . 60 LEU HD1 . 10095 1 688 . 1 1 60 60 LEU HD12 H 1 0.852 0.030 . 1 . . . . 60 LEU HD1 . 10095 1 689 . 1 1 60 60 LEU HD13 H 1 0.852 0.030 . 1 . . . . 60 LEU HD1 . 10095 1 690 . 1 1 60 60 LEU HD21 H 1 0.833 0.030 . 1 . . . . 60 LEU HD2 . 10095 1 691 . 1 1 60 60 LEU HD22 H 1 0.833 0.030 . 1 . . . . 60 LEU HD2 . 10095 1 692 . 1 1 60 60 LEU HD23 H 1 0.833 0.030 . 1 . . . . 60 LEU HD2 . 10095 1 693 . 1 1 60 60 LEU C C 13 178.568 0.300 . 1 . . . . 60 LEU C . 10095 1 694 . 1 1 60 60 LEU CA C 13 57.598 0.300 . 1 . . . . 60 LEU CA . 10095 1 695 . 1 1 60 60 LEU CB C 13 42.463 0.300 . 1 . . . . 60 LEU CB . 10095 1 696 . 1 1 60 60 LEU CG C 13 26.836 0.300 . 1 . . . . 60 LEU CG . 10095 1 697 . 1 1 60 60 LEU CD1 C 13 24.788 0.300 . 2 . . . . 60 LEU CD1 . 10095 1 698 . 1 1 60 60 LEU CD2 C 13 24.088 0.300 . 2 . . . . 60 LEU CD2 . 10095 1 699 . 1 1 60 60 LEU N N 15 120.306 0.300 . 1 . . . . 60 LEU N . 10095 1 700 . 1 1 61 61 THR H H 1 8.196 0.030 . 1 . . . . 61 THR H . 10095 1 701 . 1 1 61 61 THR HA H 1 3.682 0.030 . 1 . . . . 61 THR HA . 10095 1 702 . 1 1 61 61 THR HB H 1 4.537 0.030 . 1 . . . . 61 THR HB . 10095 1 703 . 1 1 61 61 THR HG21 H 1 1.208 0.030 . 1 . . . . 61 THR HG2 . 10095 1 704 . 1 1 61 61 THR HG22 H 1 1.208 0.030 . 1 . . . . 61 THR HG2 . 10095 1 705 . 1 1 61 61 THR HG23 H 1 1.208 0.030 . 1 . . . . 61 THR HG2 . 10095 1 706 . 1 1 61 61 THR C C 13 175.031 0.300 . 1 . . . . 61 THR C . 10095 1 707 . 1 1 61 61 THR CA C 13 67.888 0.300 . 1 . . . . 61 THR CA . 10095 1 708 . 1 1 61 61 THR CB C 13 68.741 0.300 . 1 . . . . 61 THR CB . 10095 1 709 . 1 1 61 61 THR CG2 C 13 21.033 0.300 . 1 . . . . 61 THR CG2 . 10095 1 710 . 1 1 61 61 THR N N 15 116.817 0.300 . 1 . . . . 61 THR N . 10095 1 711 . 1 1 62 62 ALA H H 1 7.388 0.030 . 1 . . . . 62 ALA H . 10095 1 712 . 1 1 62 62 ALA HA H 1 4.190 0.030 . 1 . . . . 62 ALA HA . 10095 1 713 . 1 1 62 62 ALA HB1 H 1 1.608 0.030 . 1 . . . . 62 ALA HB . 10095 1 714 . 1 1 62 62 ALA HB2 H 1 1.608 0.030 . 1 . . . . 62 ALA HB . 10095 1 715 . 1 1 62 62 ALA HB3 H 1 1.608 0.030 . 1 . . . . 62 ALA HB . 10095 1 716 . 1 1 62 62 ALA C C 13 180.498 0.300 . 1 . . . . 62 ALA C . 10095 1 717 . 1 1 62 62 ALA CA C 13 55.370 0.300 . 1 . . . . 62 ALA CA . 10095 1 718 . 1 1 62 62 ALA CB C 13 17.825 0.300 . 1 . . . . 62 ALA CB . 10095 1 719 . 1 1 62 62 ALA N N 15 123.284 0.300 . 1 . . . . 62 ALA N . 10095 1 720 . 1 1 63 63 VAL H H 1 7.947 0.030 . 1 . . . . 63 VAL H . 10095 1 721 . 1 1 63 63 VAL HA H 1 3.739 0.030 . 1 . . . . 63 VAL HA . 10095 1 722 . 1 1 63 63 VAL HB H 1 2.356 0.030 . 1 . . . . 63 VAL HB . 10095 1 723 . 1 1 63 63 VAL HG11 H 1 1.210 0.030 . 1 . . . . 63 VAL HG1 . 10095 1 724 . 1 1 63 63 VAL HG12 H 1 1.210 0.030 . 1 . . . . 63 VAL HG1 . 10095 1 725 . 1 1 63 63 VAL HG13 H 1 1.210 0.030 . 1 . . . . 63 VAL HG1 . 10095 1 726 . 1 1 63 63 VAL HG21 H 1 1.019 0.030 . 1 . . . . 63 VAL HG2 . 10095 1 727 . 1 1 63 63 VAL HG22 H 1 1.019 0.030 . 1 . . . . 63 VAL HG2 . 10095 1 728 . 1 1 63 63 VAL HG23 H 1 1.019 0.030 . 1 . . . . 63 VAL HG2 . 10095 1 729 . 1 1 63 63 VAL C C 13 178.657 0.300 . 1 . . . . 63 VAL C . 10095 1 730 . 1 1 63 63 VAL CA C 13 66.650 0.300 . 1 . . . . 63 VAL CA . 10095 1 731 . 1 1 63 63 VAL CB C 13 31.751 0.300 . 1 . . . . 63 VAL CB . 10095 1 732 . 1 1 63 63 VAL CG1 C 13 22.660 0.300 . 2 . . . . 63 VAL CG1 . 10095 1 733 . 1 1 63 63 VAL CG2 C 13 21.737 0.300 . 2 . . . . 63 VAL CG2 . 10095 1 734 . 1 1 63 63 VAL N N 15 119.114 0.300 . 1 . . . . 63 VAL N . 10095 1 735 . 1 1 64 64 VAL H H 1 8.665 0.030 . 1 . . . . 64 VAL H . 10095 1 736 . 1 1 64 64 VAL HA H 1 3.602 0.030 . 1 . . . . 64 VAL HA . 10095 1 737 . 1 1 64 64 VAL HB H 1 2.356 0.030 . 1 . . . . 64 VAL HB . 10095 1 738 . 1 1 64 64 VAL HG11 H 1 1.079 0.030 . 1 . . . . 64 VAL HG1 . 10095 1 739 . 1 1 64 64 VAL HG12 H 1 1.079 0.030 . 1 . . . . 64 VAL HG1 . 10095 1 740 . 1 1 64 64 VAL HG13 H 1 1.079 0.030 . 1 . . . . 64 VAL HG1 . 10095 1 741 . 1 1 64 64 VAL HG21 H 1 1.177 0.030 . 1 . . . . 64 VAL HG2 . 10095 1 742 . 1 1 64 64 VAL HG22 H 1 1.177 0.030 . 1 . . . . 64 VAL HG2 . 10095 1 743 . 1 1 64 64 VAL HG23 H 1 1.177 0.030 . 1 . . . . 64 VAL HG2 . 10095 1 744 . 1 1 64 64 VAL C C 13 177.834 0.300 . 1 . . . . 64 VAL C . 10095 1 745 . 1 1 64 64 VAL CA C 13 67.287 0.300 . 1 . . . . 64 VAL CA . 10095 1 746 . 1 1 64 64 VAL CB C 13 31.586 0.300 . 1 . . . . 64 VAL CB . 10095 1 747 . 1 1 64 64 VAL CG1 C 13 21.594 0.300 . 2 . . . . 64 VAL CG1 . 10095 1 748 . 1 1 64 64 VAL CG2 C 13 24.115 0.300 . 2 . . . . 64 VAL CG2 . 10095 1 749 . 1 1 64 64 VAL N N 15 121.157 0.300 . 1 . . . . 64 VAL N . 10095 1 750 . 1 1 65 65 GLN H H 1 8.752 0.030 . 1 . . . . 65 GLN H . 10095 1 751 . 1 1 65 65 GLN HA H 1 4.176 0.030 . 1 . . . . 65 GLN HA . 10095 1 752 . 1 1 65 65 GLN HB2 H 1 2.301 0.030 . 2 . . . . 65 GLN HB2 . 10095 1 753 . 1 1 65 65 GLN HB3 H 1 2.402 0.030 . 2 . . . . 65 GLN HB3 . 10095 1 754 . 1 1 65 65 GLN HG2 H 1 2.387 0.030 . 2 . . . . 65 GLN HG2 . 10095 1 755 . 1 1 65 65 GLN HG3 H 1 2.470 0.030 . 2 . . . . 65 GLN HG3 . 10095 1 756 . 1 1 65 65 GLN HE21 H 1 7.423 0.030 . 2 . . . . 65 GLN HE21 . 10095 1 757 . 1 1 65 65 GLN HE22 H 1 7.244 0.030 . 2 . . . . 65 GLN HE22 . 10095 1 758 . 1 1 65 65 GLN C C 13 177.864 0.300 . 1 . . . . 65 GLN C . 10095 1 759 . 1 1 65 65 GLN CA C 13 60.285 0.300 . 1 . . . . 65 GLN CA . 10095 1 760 . 1 1 65 65 GLN CB C 13 28.768 0.300 . 1 . . . . 65 GLN CB . 10095 1 761 . 1 1 65 65 GLN CG C 13 34.173 0.300 . 1 . . . . 65 GLN CG . 10095 1 762 . 1 1 65 65 GLN N N 15 118.818 0.300 . 1 . . . . 65 GLN N . 10095 1 763 . 1 1 65 65 GLN NE2 N 15 111.467 0.300 . 1 . . . . 65 GLN NE2 . 10095 1 764 . 1 1 66 66 LYS H H 1 7.697 0.030 . 1 . . . . 66 LYS H . 10095 1 765 . 1 1 66 66 LYS HA H 1 4.113 0.030 . 1 . . . . 66 LYS HA . 10095 1 766 . 1 1 66 66 LYS HB2 H 1 1.915 0.030 . 1 . . . . 66 LYS HB2 . 10095 1 767 . 1 1 66 66 LYS HB3 H 1 1.915 0.030 . 1 . . . . 66 LYS HB3 . 10095 1 768 . 1 1 66 66 LYS HG2 H 1 1.479 0.030 . 2 . . . . 66 LYS HG2 . 10095 1 769 . 1 1 66 66 LYS HG3 H 1 1.561 0.030 . 2 . . . . 66 LYS HG3 . 10095 1 770 . 1 1 66 66 LYS HD2 H 1 1.707 0.030 . 1 . . . . 66 LYS HD2 . 10095 1 771 . 1 1 66 66 LYS HD3 H 1 1.707 0.030 . 1 . . . . 66 LYS HD3 . 10095 1 772 . 1 1 66 66 LYS HE2 H 1 2.998 0.030 . 1 . . . . 66 LYS HE2 . 10095 1 773 . 1 1 66 66 LYS HE3 H 1 2.998 0.030 . 1 . . . . 66 LYS HE3 . 10095 1 774 . 1 1 66 66 LYS C C 13 179.342 0.300 . 1 . . . . 66 LYS C . 10095 1 775 . 1 1 66 66 LYS CA C 13 58.729 0.300 . 1 . . . . 66 LYS CA . 10095 1 776 . 1 1 66 66 LYS CB C 13 32.822 0.300 . 1 . . . . 66 LYS CB . 10095 1 777 . 1 1 66 66 LYS CG C 13 25.004 0.300 . 1 . . . . 66 LYS CG . 10095 1 778 . 1 1 66 66 LYS CD C 13 29.089 0.300 . 1 . . . . 66 LYS CD . 10095 1 779 . 1 1 66 66 LYS CE C 13 42.237 0.300 . 1 . . . . 66 LYS CE . 10095 1 780 . 1 1 66 66 LYS N N 15 116.771 0.300 . 1 . . . . 66 LYS N . 10095 1 781 . 1 1 67 67 ARG H H 1 8.717 0.030 . 1 . . . . 67 ARG H . 10095 1 782 . 1 1 67 67 ARG HA H 1 3.850 0.030 . 1 . . . . 67 ARG HA . 10095 1 783 . 1 1 67 67 ARG HB2 H 1 1.478 0.030 . 2 . . . . 67 ARG HB2 . 10095 1 784 . 1 1 67 67 ARG HB3 H 1 1.099 0.030 . 2 . . . . 67 ARG HB3 . 10095 1 785 . 1 1 67 67 ARG HG2 H 1 0.400 0.030 . 2 . . . . 67 ARG HG2 . 10095 1 786 . 1 1 67 67 ARG HG3 H 1 0.645 0.030 . 2 . . . . 67 ARG HG3 . 10095 1 787 . 1 1 67 67 ARG HD2 H 1 2.274 0.030 . 2 . . . . 67 ARG HD2 . 10095 1 788 . 1 1 67 67 ARG HD3 H 1 2.555 0.030 . 2 . . . . 67 ARG HD3 . 10095 1 789 . 1 1 67 67 ARG C C 13 177.783 0.300 . 1 . . . . 67 ARG C . 10095 1 790 . 1 1 67 67 ARG CA C 13 58.411 0.300 . 1 . . . . 67 ARG CA . 10095 1 791 . 1 1 67 67 ARG CB C 13 29.856 0.300 . 1 . . . . 67 ARG CB . 10095 1 792 . 1 1 67 67 ARG CG C 13 26.811 0.300 . 1 . . . . 67 ARG CG . 10095 1 793 . 1 1 67 67 ARG CD C 13 42.281 0.300 . 1 . . . . 67 ARG CD . 10095 1 794 . 1 1 67 67 ARG N N 15 119.370 0.300 . 1 . . . . 67 ARG N . 10095 1 795 . 1 1 68 68 PHE H H 1 7.838 0.030 . 1 . . . . 68 PHE H . 10095 1 796 . 1 1 68 68 PHE HA H 1 4.655 0.030 . 1 . . . . 68 PHE HA . 10095 1 797 . 1 1 68 68 PHE HB2 H 1 3.231 0.030 . 2 . . . . 68 PHE HB2 . 10095 1 798 . 1 1 68 68 PHE HB3 H 1 2.860 0.030 . 2 . . . . 68 PHE HB3 . 10095 1 799 . 1 1 68 68 PHE HD1 H 1 7.656 0.030 . 1 . . . . 68 PHE HD1 . 10095 1 800 . 1 1 68 68 PHE HD2 H 1 7.656 0.030 . 1 . . . . 68 PHE HD2 . 10095 1 801 . 1 1 68 68 PHE HE1 H 1 7.096 0.030 . 1 . . . . 68 PHE HE1 . 10095 1 802 . 1 1 68 68 PHE HE2 H 1 7.096 0.030 . 1 . . . . 68 PHE HE2 . 10095 1 803 . 1 1 68 68 PHE HZ H 1 6.924 0.030 . 1 . . . . 68 PHE HZ . 10095 1 804 . 1 1 68 68 PHE C C 13 175.292 0.300 . 1 . . . . 68 PHE C . 10095 1 805 . 1 1 68 68 PHE CA C 13 57.916 0.300 . 1 . . . . 68 PHE CA . 10095 1 806 . 1 1 68 68 PHE CB C 13 39.332 0.300 . 1 . . . . 68 PHE CB . 10095 1 807 . 1 1 68 68 PHE CD1 C 13 132.470 0.300 . 1 . . . . 68 PHE CD1 . 10095 1 808 . 1 1 68 68 PHE CD2 C 13 132.470 0.300 . 1 . . . . 68 PHE CD2 . 10095 1 809 . 1 1 68 68 PHE CE1 C 13 130.918 0.300 . 1 . . . . 68 PHE CE1 . 10095 1 810 . 1 1 68 68 PHE CE2 C 13 130.918 0.300 . 1 . . . . 68 PHE CE2 . 10095 1 811 . 1 1 68 68 PHE CZ C 13 128.445 0.300 . 1 . . . . 68 PHE CZ . 10095 1 812 . 1 1 68 68 PHE N N 15 111.880 0.300 . 1 . . . . 68 PHE N . 10095 1 813 . 1 1 69 69 GLY H H 1 7.399 0.030 . 1 . . . . 69 GLY H . 10095 1 814 . 1 1 69 69 GLY HA2 H 1 3.880 0.030 . 2 . . . . 69 GLY HA2 . 10095 1 815 . 1 1 69 69 GLY HA3 H 1 3.810 0.030 . 2 . . . . 69 GLY HA3 . 10095 1 816 . 1 1 69 69 GLY C C 13 175.204 0.300 . 1 . . . . 69 GLY C . 10095 1 817 . 1 1 69 69 GLY CA C 13 47.201 0.300 . 1 . . . . 69 GLY CA . 10095 1 818 . 1 1 69 69 GLY N N 15 108.363 0.300 . 1 . . . . 69 GLY N . 10095 1 819 . 1 1 70 70 PHE H H 1 8.124 0.030 . 1 . . . . 70 PHE H . 10095 1 820 . 1 1 70 70 PHE HA H 1 4.741 0.030 . 1 . . . . 70 PHE HA . 10095 1 821 . 1 1 70 70 PHE HB2 H 1 3.099 0.030 . 2 . . . . 70 PHE HB2 . 10095 1 822 . 1 1 70 70 PHE HB3 H 1 2.630 0.030 . 2 . . . . 70 PHE HB3 . 10095 1 823 . 1 1 70 70 PHE HD1 H 1 7.212 0.030 . 1 . . . . 70 PHE HD1 . 10095 1 824 . 1 1 70 70 PHE HD2 H 1 7.212 0.030 . 1 . . . . 70 PHE HD2 . 10095 1 825 . 1 1 70 70 PHE HE1 H 1 7.030 0.030 . 1 . . . . 70 PHE HE1 . 10095 1 826 . 1 1 70 70 PHE HE2 H 1 7.030 0.030 . 1 . . . . 70 PHE HE2 . 10095 1 827 . 1 1 70 70 PHE HZ H 1 6.513 0.030 . 1 . . . . 70 PHE HZ . 10095 1 828 . 1 1 70 70 PHE C C 13 175.204 0.300 . 1 . . . . 70 PHE C . 10095 1 829 . 1 1 70 70 PHE CA C 13 56.143 0.300 . 1 . . . . 70 PHE CA . 10095 1 830 . 1 1 70 70 PHE CB C 13 40.239 0.300 . 1 . . . . 70 PHE CB . 10095 1 831 . 1 1 70 70 PHE CD1 C 13 131.707 0.300 . 1 . . . . 70 PHE CD1 . 10095 1 832 . 1 1 70 70 PHE CD2 C 13 131.707 0.300 . 1 . . . . 70 PHE CD2 . 10095 1 833 . 1 1 70 70 PHE CE1 C 13 131.002 0.300 . 1 . . . . 70 PHE CE1 . 10095 1 834 . 1 1 70 70 PHE CE2 C 13 131.002 0.300 . 1 . . . . 70 PHE CE2 . 10095 1 835 . 1 1 70 70 PHE CZ C 13 129.092 0.300 . 1 . . . . 70 PHE CZ . 10095 1 836 . 1 1 70 70 PHE N N 15 118.979 0.300 . 1 . . . . 70 PHE N . 10095 1 837 . 1 1 71 71 PRO HA H 1 4.489 0.030 . 1 . . . . 71 PRO HA . 10095 1 838 . 1 1 71 71 PRO HB2 H 1 2.414 0.030 . 2 . . . . 71 PRO HB2 . 10095 1 839 . 1 1 71 71 PRO HB3 H 1 1.888 0.030 . 2 . . . . 71 PRO HB3 . 10095 1 840 . 1 1 71 71 PRO HG2 H 1 2.124 0.030 . 2 . . . . 71 PRO HG2 . 10095 1 841 . 1 1 71 71 PRO HG3 H 1 2.053 0.030 . 2 . . . . 71 PRO HG3 . 10095 1 842 . 1 1 71 71 PRO HD2 H 1 4.029 0.030 . 2 . . . . 71 PRO HD2 . 10095 1 843 . 1 1 71 71 PRO HD3 H 1 3.916 0.030 . 2 . . . . 71 PRO HD3 . 10095 1 844 . 1 1 71 71 PRO C C 13 177.621 0.300 . 1 . . . . 71 PRO C . 10095 1 845 . 1 1 71 71 PRO CA C 13 62.195 0.300 . 1 . . . . 71 PRO CA . 10095 1 846 . 1 1 71 71 PRO CB C 13 32.163 0.300 . 1 . . . . 71 PRO CB . 10095 1 847 . 1 1 71 71 PRO CG C 13 27.712 0.300 . 1 . . . . 71 PRO CG . 10095 1 848 . 1 1 71 71 PRO CD C 13 51.193 0.300 . 1 . . . . 71 PRO CD . 10095 1 849 . 1 1 72 72 GLU H H 1 8.959 0.030 . 1 . . . . 72 GLU H . 10095 1 850 . 1 1 72 72 GLU HA H 1 3.853 0.030 . 1 . . . . 72 GLU HA . 10095 1 851 . 1 1 72 72 GLU HB2 H 1 2.048 0.030 . 2 . . . . 72 GLU HB2 . 10095 1 852 . 1 1 72 72 GLU HB3 H 1 1.979 0.030 . 2 . . . . 72 GLU HB3 . 10095 1 853 . 1 1 72 72 GLU HG2 H 1 2.309 0.030 . 1 . . . . 72 GLU HG2 . 10095 1 854 . 1 1 72 72 GLU HG3 H 1 2.309 0.030 . 1 . . . . 72 GLU HG3 . 10095 1 855 . 1 1 72 72 GLU C C 13 177.496 0.300 . 1 . . . . 72 GLU C . 10095 1 856 . 1 1 72 72 GLU CA C 13 58.659 0.300 . 1 . . . . 72 GLU CA . 10095 1 857 . 1 1 72 72 GLU CB C 13 29.279 0.300 . 1 . . . . 72 GLU CB . 10095 1 858 . 1 1 72 72 GLU CG C 13 36.042 0.300 . 1 . . . . 72 GLU CG . 10095 1 859 . 1 1 72 72 GLU N N 15 124.828 0.300 . 1 . . . . 72 GLU N . 10095 1 860 . 1 1 73 73 GLY H H 1 8.731 0.030 . 1 . . . . 73 GLY H . 10095 1 861 . 1 1 73 73 GLY HA2 H 1 3.879 0.030 . 2 . . . . 73 GLY HA2 . 10095 1 862 . 1 1 73 73 GLY HA3 H 1 4.342 0.030 . 2 . . . . 73 GLY HA3 . 10095 1 863 . 1 1 73 73 GLY C C 13 175.197 0.300 . 1 . . . . 73 GLY C . 10095 1 864 . 1 1 73 73 GLY CA C 13 45.716 0.300 . 1 . . . . 73 GLY CA . 10095 1 865 . 1 1 73 73 GLY N N 15 114.156 0.300 . 1 . . . . 73 GLY N . 10095 1 866 . 1 1 74 74 SER H H 1 8.066 0.030 . 1 . . . . 74 SER H . 10095 1 867 . 1 1 74 74 SER HA H 1 4.656 0.030 . 1 . . . . 74 SER HA . 10095 1 868 . 1 1 74 74 SER HB2 H 1 4.209 0.030 . 2 . . . . 74 SER HB2 . 10095 1 869 . 1 1 74 74 SER HB3 H 1 3.863 0.030 . 2 . . . . 74 SER HB3 . 10095 1 870 . 1 1 74 74 SER C C 13 172.920 0.300 . 1 . . . . 74 SER C . 10095 1 871 . 1 1 74 74 SER CA C 13 59.896 0.300 . 1 . . . . 74 SER CA . 10095 1 872 . 1 1 74 74 SER CB C 13 64.795 0.300 . 1 . . . . 74 SER CB . 10095 1 873 . 1 1 74 74 SER N N 15 113.768 0.300 . 1 . . . . 74 SER N . 10095 1 874 . 1 1 75 75 VAL H H 1 7.524 0.030 . 1 . . . . 75 VAL H . 10095 1 875 . 1 1 75 75 VAL HA H 1 5.267 0.030 . 1 . . . . 75 VAL HA . 10095 1 876 . 1 1 75 75 VAL HB H 1 1.174 0.030 . 1 . . . . 75 VAL HB . 10095 1 877 . 1 1 75 75 VAL HG11 H 1 0.533 0.030 . 1 . . . . 75 VAL HG1 . 10095 1 878 . 1 1 75 75 VAL HG12 H 1 0.533 0.030 . 1 . . . . 75 VAL HG1 . 10095 1 879 . 1 1 75 75 VAL HG13 H 1 0.533 0.030 . 1 . . . . 75 VAL HG1 . 10095 1 880 . 1 1 75 75 VAL HG21 H 1 0.311 0.030 . 1 . . . . 75 VAL HG2 . 10095 1 881 . 1 1 75 75 VAL HG22 H 1 0.311 0.030 . 1 . . . . 75 VAL HG2 . 10095 1 882 . 1 1 75 75 VAL HG23 H 1 0.311 0.030 . 1 . . . . 75 VAL HG2 . 10095 1 883 . 1 1 75 75 VAL C C 13 172.700 0.300 . 1 . . . . 75 VAL C . 10095 1 884 . 1 1 75 75 VAL CA C 13 58.694 0.300 . 1 . . . . 75 VAL CA . 10095 1 885 . 1 1 75 75 VAL CB C 13 34.223 0.300 . 1 . . . . 75 VAL CB . 10095 1 886 . 1 1 75 75 VAL CG1 C 13 19.755 0.300 . 2 . . . . 75 VAL CG1 . 10095 1 887 . 1 1 75 75 VAL CG2 C 13 21.732 0.300 . 2 . . . . 75 VAL CG2 . 10095 1 888 . 1 1 75 75 VAL N N 15 120.462 0.300 . 1 . . . . 75 VAL N . 10095 1 889 . 1 1 76 76 GLU H H 1 8.277 0.030 . 1 . . . . 76 GLU H . 10095 1 890 . 1 1 76 76 GLU HA H 1 4.559 0.030 . 1 . . . . 76 GLU HA . 10095 1 891 . 1 1 76 76 GLU HB2 H 1 1.723 0.030 . 1 . . . . 76 GLU HB2 . 10095 1 892 . 1 1 76 76 GLU HB3 H 1 1.723 0.030 . 1 . . . . 76 GLU HB3 . 10095 1 893 . 1 1 76 76 GLU HG2 H 1 1.964 0.030 . 1 . . . . 76 GLU HG2 . 10095 1 894 . 1 1 76 76 GLU HG3 H 1 1.964 0.030 . 1 . . . . 76 GLU HG3 . 10095 1 895 . 1 1 76 76 GLU C C 13 173.056 0.300 . 1 . . . . 76 GLU C . 10095 1 896 . 1 1 76 76 GLU CA C 13 55.122 0.300 . 1 . . . . 76 GLU CA . 10095 1 897 . 1 1 76 76 GLU CB C 13 33.729 0.300 . 1 . . . . 76 GLU CB . 10095 1 898 . 1 1 76 76 GLU CG C 13 35.567 0.300 . 1 . . . . 76 GLU CG . 10095 1 899 . 1 1 76 76 GLU N N 15 126.553 0.300 . 1 . . . . 76 GLU N . 10095 1 900 . 1 1 77 77 LEU H H 1 8.209 0.030 . 1 . . . . 77 LEU H . 10095 1 901 . 1 1 77 77 LEU HA H 1 5.392 0.030 . 1 . . . . 77 LEU HA . 10095 1 902 . 1 1 77 77 LEU HB2 H 1 1.458 0.030 . 1 . . . . 77 LEU HB2 . 10095 1 903 . 1 1 77 77 LEU HB3 H 1 1.458 0.030 . 1 . . . . 77 LEU HB3 . 10095 1 904 . 1 1 77 77 LEU HG H 1 1.740 0.030 . 1 . . . . 77 LEU HG . 10095 1 905 . 1 1 77 77 LEU HD11 H 1 0.849 0.030 . 1 . . . . 77 LEU HD1 . 10095 1 906 . 1 1 77 77 LEU HD12 H 1 0.849 0.030 . 1 . . . . 77 LEU HD1 . 10095 1 907 . 1 1 77 77 LEU HD13 H 1 0.849 0.030 . 1 . . . . 77 LEU HD1 . 10095 1 908 . 1 1 77 77 LEU HD21 H 1 0.809 0.030 . 1 . . . . 77 LEU HD2 . 10095 1 909 . 1 1 77 77 LEU HD22 H 1 0.809 0.030 . 1 . . . . 77 LEU HD2 . 10095 1 910 . 1 1 77 77 LEU HD23 H 1 0.809 0.030 . 1 . . . . 77 LEU HD2 . 10095 1 911 . 1 1 77 77 LEU C C 13 174.822 0.300 . 1 . . . . 77 LEU C . 10095 1 912 . 1 1 77 77 LEU CA C 13 54.062 0.300 . 1 . . . . 77 LEU CA . 10095 1 913 . 1 1 77 77 LEU CB C 13 44.112 0.300 . 1 . . . . 77 LEU CB . 10095 1 914 . 1 1 77 77 LEU CG C 13 30.193 0.300 . 1 . . . . 77 LEU CG . 10095 1 915 . 1 1 77 77 LEU CD1 C 13 24.682 0.300 . 2 . . . . 77 LEU CD1 . 10095 1 916 . 1 1 77 77 LEU CD2 C 13 25.884 0.300 . 2 . . . . 77 LEU CD2 . 10095 1 917 . 1 1 77 77 LEU N N 15 125.864 0.300 . 1 . . . . 77 LEU N . 10095 1 918 . 1 1 78 78 TYR H H 1 8.899 0.030 . 1 . . . . 78 TYR H . 10095 1 919 . 1 1 78 78 TYR HA H 1 4.637 0.030 . 1 . . . . 78 TYR HA . 10095 1 920 . 1 1 78 78 TYR HB2 H 1 2.611 0.030 . 2 . . . . 78 TYR HB2 . 10095 1 921 . 1 1 78 78 TYR HB3 H 1 3.179 0.030 . 2 . . . . 78 TYR HB3 . 10095 1 922 . 1 1 78 78 TYR HD1 H 1 7.021 0.030 . 1 . . . . 78 TYR HD1 . 10095 1 923 . 1 1 78 78 TYR HD2 H 1 7.021 0.030 . 1 . . . . 78 TYR HD2 . 10095 1 924 . 1 1 78 78 TYR HE1 H 1 6.607 0.030 . 1 . . . . 78 TYR HE1 . 10095 1 925 . 1 1 78 78 TYR HE2 H 1 6.607 0.030 . 1 . . . . 78 TYR HE2 . 10095 1 926 . 1 1 78 78 TYR C C 13 173.818 0.300 . 1 . . . . 78 TYR C . 10095 1 927 . 1 1 78 78 TYR CA C 13 56.077 0.300 . 1 . . . . 78 TYR CA . 10095 1 928 . 1 1 78 78 TYR CB C 13 42.124 0.300 . 1 . . . . 78 TYR CB . 10095 1 929 . 1 1 78 78 TYR CD1 C 13 133.496 0.300 . 1 . . . . 78 TYR CD1 . 10095 1 930 . 1 1 78 78 TYR CD2 C 13 133.496 0.300 . 1 . . . . 78 TYR CD2 . 10095 1 931 . 1 1 78 78 TYR CE1 C 13 118.184 0.300 . 1 . . . . 78 TYR CE1 . 10095 1 932 . 1 1 78 78 TYR CE2 C 13 118.184 0.300 . 1 . . . . 78 TYR CE2 . 10095 1 933 . 1 1 78 78 TYR N N 15 117.886 0.300 . 1 . . . . 78 TYR N . 10095 1 934 . 1 1 79 79 ALA H H 1 8.850 0.030 . 1 . . . . 79 ALA H . 10095 1 935 . 1 1 79 79 ALA HA H 1 5.528 0.030 . 1 . . . . 79 ALA HA . 10095 1 936 . 1 1 79 79 ALA HB1 H 1 1.197 0.030 . 1 . . . . 79 ALA HB . 10095 1 937 . 1 1 79 79 ALA HB2 H 1 1.197 0.030 . 1 . . . . 79 ALA HB . 10095 1 938 . 1 1 79 79 ALA HB3 H 1 1.197 0.030 . 1 . . . . 79 ALA HB . 10095 1 939 . 1 1 79 79 ALA C C 13 175.708 0.300 . 1 . . . . 79 ALA C . 10095 1 940 . 1 1 79 79 ALA CA C 13 50.596 0.300 . 1 . . . . 79 ALA CA . 10095 1 941 . 1 1 79 79 ALA CB C 13 20.956 0.300 . 1 . . . . 79 ALA CB . 10095 1 942 . 1 1 79 79 ALA N N 15 122.947 0.300 . 1 . . . . 79 ALA N . 10095 1 943 . 1 1 80 80 GLU H H 1 9.191 0.030 . 1 . . . . 80 GLU H . 10095 1 944 . 1 1 80 80 GLU HA H 1 4.596 0.030 . 1 . . . . 80 GLU HA . 10095 1 945 . 1 1 80 80 GLU HB2 H 1 1.626 0.030 . 2 . . . . 80 GLU HB2 . 10095 1 946 . 1 1 80 80 GLU HB3 H 1 1.886 0.030 . 2 . . . . 80 GLU HB3 . 10095 1 947 . 1 1 80 80 GLU HG2 H 1 2.078 0.030 . 2 . . . . 80 GLU HG2 . 10095 1 948 . 1 1 80 80 GLU HG3 H 1 2.125 0.030 . 2 . . . . 80 GLU HG3 . 10095 1 949 . 1 1 80 80 GLU C C 13 173.891 0.300 . 1 . . . . 80 GLU C . 10095 1 950 . 1 1 80 80 GLU CA C 13 54.733 0.300 . 1 . . . . 80 GLU CA . 10095 1 951 . 1 1 80 80 GLU CB C 13 33.481 0.300 . 1 . . . . 80 GLU CB . 10095 1 952 . 1 1 80 80 GLU CG C 13 36.063 0.300 . 1 . . . . 80 GLU CG . 10095 1 953 . 1 1 80 80 GLU N N 15 124.075 0.300 . 1 . . . . 80 GLU N . 10095 1 954 . 1 1 81 81 LYS H H 1 8.447 0.030 . 1 . . . . 81 LYS H . 10095 1 955 . 1 1 81 81 LYS HA H 1 4.749 0.030 . 1 . . . . 81 LYS HA . 10095 1 956 . 1 1 81 81 LYS HB2 H 1 1.779 0.030 . 2 . . . . 81 LYS HB2 . 10095 1 957 . 1 1 81 81 LYS HB3 H 1 1.834 0.030 . 2 . . . . 81 LYS HB3 . 10095 1 958 . 1 1 81 81 LYS HG2 H 1 1.489 0.030 . 2 . . . . 81 LYS HG2 . 10095 1 959 . 1 1 81 81 LYS HG3 H 1 1.539 0.030 . 2 . . . . 81 LYS HG3 . 10095 1 960 . 1 1 81 81 LYS HD2 H 1 1.771 0.030 . 1 . . . . 81 LYS HD2 . 10095 1 961 . 1 1 81 81 LYS HD3 H 1 1.771 0.030 . 1 . . . . 81 LYS HD3 . 10095 1 962 . 1 1 81 81 LYS HE2 H 1 3.121 0.030 . 1 . . . . 81 LYS HE2 . 10095 1 963 . 1 1 81 81 LYS HE3 H 1 3.121 0.030 . 1 . . . . 81 LYS HE3 . 10095 1 964 . 1 1 81 81 LYS C C 13 177.184 0.300 . 1 . . . . 81 LYS C . 10095 1 965 . 1 1 81 81 LYS CA C 13 56.042 0.300 . 1 . . . . 81 LYS CA . 10095 1 966 . 1 1 81 81 LYS CB C 13 33.481 0.300 . 1 . . . . 81 LYS CB . 10095 1 967 . 1 1 81 81 LYS CG C 13 25.161 0.300 . 1 . . . . 81 LYS CG . 10095 1 968 . 1 1 81 81 LYS CD C 13 29.598 0.300 . 1 . . . . 81 LYS CD . 10095 1 969 . 1 1 81 81 LYS CE C 13 42.305 0.300 . 1 . . . . 81 LYS CE . 10095 1 970 . 1 1 81 81 LYS N N 15 123.484 0.300 . 1 . . . . 81 LYS N . 10095 1 971 . 1 1 82 82 VAL H H 1 7.662 0.030 . 1 . . . . 82 VAL H . 10095 1 972 . 1 1 82 82 VAL HA H 1 4.125 0.030 . 1 . . . . 82 VAL HA . 10095 1 973 . 1 1 82 82 VAL HB H 1 1.915 0.030 . 1 . . . . 82 VAL HB . 10095 1 974 . 1 1 82 82 VAL HG11 H 1 0.784 0.030 . 1 . . . . 82 VAL HG1 . 10095 1 975 . 1 1 82 82 VAL HG12 H 1 0.784 0.030 . 1 . . . . 82 VAL HG1 . 10095 1 976 . 1 1 82 82 VAL HG13 H 1 0.784 0.030 . 1 . . . . 82 VAL HG1 . 10095 1 977 . 1 1 82 82 VAL HG21 H 1 0.862 0.030 . 1 . . . . 82 VAL HG2 . 10095 1 978 . 1 1 82 82 VAL HG22 H 1 0.862 0.030 . 1 . . . . 82 VAL HG2 . 10095 1 979 . 1 1 82 82 VAL HG23 H 1 0.862 0.030 . 1 . . . . 82 VAL HG2 . 10095 1 980 . 1 1 82 82 VAL C C 13 175.154 0.300 . 1 . . . . 82 VAL C . 10095 1 981 . 1 1 82 82 VAL CA C 13 61.346 0.300 . 1 . . . . 82 VAL CA . 10095 1 982 . 1 1 82 82 VAL CB C 13 33.481 0.300 . 1 . . . . 82 VAL CB . 10095 1 983 . 1 1 82 82 VAL CG1 C 13 20.604 0.300 . 2 . . . . 82 VAL CG1 . 10095 1 984 . 1 1 82 82 VAL CG2 C 13 21.510 0.300 . 2 . . . . 82 VAL CG2 . 10095 1 985 . 1 1 82 82 VAL N N 15 122.188 0.300 . 1 . . . . 82 VAL N . 10095 1 986 . 1 1 83 83 ALA H H 1 8.425 0.030 . 1 . . . . 83 ALA H . 10095 1 987 . 1 1 83 83 ALA HA H 1 4.367 0.030 . 1 . . . . 83 ALA HA . 10095 1 988 . 1 1 83 83 ALA HB1 H 1 1.395 0.030 . 1 . . . . 83 ALA HB . 10095 1 989 . 1 1 83 83 ALA HB2 H 1 1.395 0.030 . 1 . . . . 83 ALA HB . 10095 1 990 . 1 1 83 83 ALA HB3 H 1 1.395 0.030 . 1 . . . . 83 ALA HB . 10095 1 991 . 1 1 83 83 ALA C C 13 177.840 0.300 . 1 . . . . 83 ALA C . 10095 1 992 . 1 1 83 83 ALA CA C 13 52.435 0.300 . 1 . . . . 83 ALA CA . 10095 1 993 . 1 1 83 83 ALA CB C 13 19.473 0.300 . 1 . . . . 83 ALA CB . 10095 1 994 . 1 1 83 83 ALA N N 15 126.764 0.300 . 1 . . . . 83 ALA N . 10095 1 995 . 1 1 84 84 THR H H 1 8.138 0.030 . 1 . . . . 84 THR H . 10095 1 996 . 1 1 84 84 THR HA H 1 4.282 0.030 . 1 . . . . 84 THR HA . 10095 1 997 . 1 1 84 84 THR HB H 1 4.193 0.030 . 1 . . . . 84 THR HB . 10095 1 998 . 1 1 84 84 THR HG21 H 1 1.213 0.030 . 1 . . . . 84 THR HG2 . 10095 1 999 . 1 1 84 84 THR HG22 H 1 1.213 0.030 . 1 . . . . 84 THR HG2 . 10095 1 1000 . 1 1 84 84 THR HG23 H 1 1.213 0.030 . 1 . . . . 84 THR HG2 . 10095 1 1001 . 1 1 84 84 THR C C 13 174.548 0.300 . 1 . . . . 84 THR C . 10095 1 1002 . 1 1 84 84 THR CA C 13 61.841 0.300 . 1 . . . . 84 THR CA . 10095 1 1003 . 1 1 84 84 THR CB C 13 69.822 0.300 . 1 . . . . 84 THR CB . 10095 1 1004 . 1 1 84 84 THR CG2 C 13 21.594 0.300 . 1 . . . . 84 THR CG2 . 10095 1 1005 . 1 1 84 84 THR N N 15 113.769 0.300 . 1 . . . . 84 THR N . 10095 1 1006 . 1 1 85 85 ARG H H 1 8.437 0.030 . 1 . . . . 85 ARG H . 10095 1 1007 . 1 1 85 85 ARG CA C 13 56.307 0.300 . 1 . . . . 85 ARG CA . 10095 1 1008 . 1 1 85 85 ARG CB C 13 30.680 0.300 . 1 . . . . 85 ARG CB . 10095 1 1009 . 1 1 85 85 ARG N N 15 123.819 0.300 . 1 . . . . 85 ARG N . 10095 1 1010 . 1 1 89 89 PRO HA H 1 4.365 0.030 . 1 . . . . 89 PRO HA . 10095 1 1011 . 1 1 89 89 PRO HB2 H 1 1.773 0.030 . 2 . . . . 89 PRO HB2 . 10095 1 1012 . 1 1 89 89 PRO HB3 H 1 1.880 0.030 . 2 . . . . 89 PRO HB3 . 10095 1 1013 . 1 1 89 89 PRO CA C 13 56.344 0.300 . 1 . . . . 89 PRO CA . 10095 1 1014 . 1 1 89 89 PRO CB C 13 30.798 0.300 . 1 . . . . 89 PRO CB . 10095 1 1015 . 1 1 89 89 PRO CG C 13 26.947 0.300 . 1 . . . . 89 PRO CG . 10095 1 stop_ save_