data_16396 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16396 _Entry.Title ; The solution structure of CBD of human MCM6 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2009-07-08 _Entry.Accession_date 2009-07-08 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _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 Changdong Liu . . . 16396 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 . 'not applicable' 'not applicable' . 16396 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'CBD structure' . 16396 Cdt1 . 16396 'DNA replication' . 16396 Mcm6 . 16396 Pre-RC . 16396 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16396 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 414 16396 '15N chemical shifts' 109 16396 '1H chemical shifts' 749 16396 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 . . 2010-05-28 2009-07-08 update BMRB 'edit entity/assembly name' 16396 1 . . 2010-05-20 2009-07-08 original author 'original release' 16396 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2KLQ 'BMRB Entry Tracking System' 16396 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 16396 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 20202939 _Citation.Full_citation . _Citation.Title 'Characterization and structure determination of the Cdt1 binding domain of human minichromosome maintenance (Mcm) 6.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full 'The Journal of biological chemistry' _Citation.Journal_volume 285 _Citation.Journal_issue 17 _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 12469 _Citation.Page_last 12473 _Citation.Year 2010 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Zhun Wei . . . 16396 1 2 Changdong Liu . . . 16396 1 3 Xing Wu . . . 16396 1 4 Naining Xu . . . 16396 1 5 Bo Zhou . . . 16396 1 6 Chun Liang . . . 16396 1 7 Guang Zhu . . . 16396 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16396 _Assembly.ID 1 _Assembly.Name CBD _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 CBD 1 $entity A . yes native no no . . . 16396 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 16396 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name CBD _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; APKASLRLGFSEYSRISNLI VLHLRKVEEEEDESALKRSE LVNWYLKEIESEIDSEEELI NKKRIIEKVIHRLTHYDHVL IELTQAGLKGSTEGSESYEE DPYLVVNPNYLLED ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 114 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment 'SEQUENCE DATABASE RESIDUES 708-821' _Entity.Mutation C721S _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 13304.011 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 16796 . CBD . . . . . 100.00 114 100.00 100.00 4.54e-72 . . . . 16396 1 2 no BMRB 17702 . protein_comp1 . . . . . 100.00 114 100.00 100.00 4.54e-72 . . . . 16396 1 3 no PDB 2KLQ . "The Solution Structure Of Cbd Of Human Mcm6" . . . . . 100.00 114 100.00 100.00 4.54e-72 . . . . 16396 1 4 no PDB 2LE8 . "The Protein Complex For Dna Replication" . . . . . 100.00 114 100.00 100.00 4.54e-72 . . . . 16396 1 5 no DBJ BAA12699 . "HsMcm6 [Homo sapiens]" . . . . . 100.00 821 99.12 99.12 7.37e-67 . . . . 16396 1 6 no DBJ BAE01174 . "unnamed protein product [Macaca fascicularis]" . . . . . 100.00 821 99.12 99.12 6.15e-67 . . . . 16396 1 7 no DBJ BAG35469 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 821 99.12 99.12 7.37e-67 . . . . 16396 1 8 no DBJ BAG61268 . "unnamed protein product [Homo sapiens]" . . . . . 53.51 440 98.36 98.36 9.64e-29 . . . . 16396 1 9 no GB AAB48165 . "homolog of S. pombe mis5 [Homo sapiens]" . . . . . 100.00 181 98.25 98.25 1.32e-68 . . . . 16396 1 10 no GB AAC50766 . "p105MCM [Homo sapiens]" . . . . . 100.00 821 98.25 98.25 5.67e-66 . . . . 16396 1 11 no GB AAH32374 . "Minichromosome maintenance complex component 6 [Homo sapiens]" . . . . . 100.00 821 99.12 99.12 7.37e-67 . . . . 16396 1 12 no GB AAI12449 . "Minichromosome maintenance complex component 6 [Bos taurus]" . . . . . 99.12 821 97.35 99.12 6.33e-65 . . . . 16396 1 13 no GB AAO26043 . "MCM6 minichromosome maintenance deficient 6 (MIS5 homolog, S. pombe) (S. cerevisiae) [Homo sapiens]" . . . . . 100.00 821 99.12 99.12 7.37e-67 . . . . 16396 1 14 no REF NP_001039699 . "DNA replication licensing factor MCM6 [Bos taurus]" . . . . . 99.12 821 97.35 99.12 6.33e-65 . . . . 16396 1 15 no REF NP_001247544 . "DNA replication licensing factor MCM6 [Macaca mulatta]" . . . . . 100.00 821 99.12 99.12 6.15e-67 . . . . 16396 1 16 no REF NP_001270984 . "uncharacterized protein LOC101925761 [Macaca fascicularis]" . . . . . 100.00 821 99.12 99.12 6.15e-67 . . . . 16396 1 17 no REF NP_005906 . "DNA replication licensing factor MCM6 [Homo sapiens]" . . . . . 100.00 821 99.12 99.12 7.37e-67 . . . . 16396 1 18 no REF XP_001154732 . "PREDICTED: DNA replication licensing factor MCM6 [Pan troglodytes]" . . . . . 100.00 821 99.12 99.12 7.37e-67 . . . . 16396 1 19 no SP Q14566 . "RecName: Full=DNA replication licensing factor MCM6; AltName: Full=p105MCM" . . . . . 100.00 821 99.12 99.12 7.37e-67 . . . . 16396 1 20 no SP Q2KIZ8 . "RecName: Full=DNA replication licensing factor MCM6" . . . . . 99.12 821 97.35 99.12 6.33e-65 . . . . 16396 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 1 708 ALA . 16396 1 2 709 PRO . 16396 1 3 710 LYS . 16396 1 4 711 ALA . 16396 1 5 712 SER . 16396 1 6 713 LEU . 16396 1 7 714 ARG . 16396 1 8 715 LEU . 16396 1 9 716 GLY . 16396 1 10 717 PHE . 16396 1 11 718 SER . 16396 1 12 719 GLU . 16396 1 13 720 TYR . 16396 1 14 721 SER . 16396 1 15 722 ARG . 16396 1 16 723 ILE . 16396 1 17 724 SER . 16396 1 18 725 ASN . 16396 1 19 726 LEU . 16396 1 20 727 ILE . 16396 1 21 728 VAL . 16396 1 22 729 LEU . 16396 1 23 730 HIS . 16396 1 24 731 LEU . 16396 1 25 732 ARG . 16396 1 26 733 LYS . 16396 1 27 734 VAL . 16396 1 28 735 GLU . 16396 1 29 736 GLU . 16396 1 30 737 GLU . 16396 1 31 738 GLU . 16396 1 32 739 ASP . 16396 1 33 740 GLU . 16396 1 34 741 SER . 16396 1 35 742 ALA . 16396 1 36 743 LEU . 16396 1 37 744 LYS . 16396 1 38 745 ARG . 16396 1 39 746 SER . 16396 1 40 747 GLU . 16396 1 41 748 LEU . 16396 1 42 749 VAL . 16396 1 43 750 ASN . 16396 1 44 751 TRP . 16396 1 45 752 TYR . 16396 1 46 753 LEU . 16396 1 47 754 LYS . 16396 1 48 755 GLU . 16396 1 49 756 ILE . 16396 1 50 757 GLU . 16396 1 51 758 SER . 16396 1 52 759 GLU . 16396 1 53 760 ILE . 16396 1 54 761 ASP . 16396 1 55 762 SER . 16396 1 56 763 GLU . 16396 1 57 764 GLU . 16396 1 58 765 GLU . 16396 1 59 766 LEU . 16396 1 60 767 ILE . 16396 1 61 768 ASN . 16396 1 62 769 LYS . 16396 1 63 770 LYS . 16396 1 64 771 ARG . 16396 1 65 772 ILE . 16396 1 66 773 ILE . 16396 1 67 774 GLU . 16396 1 68 775 LYS . 16396 1 69 776 VAL . 16396 1 70 777 ILE . 16396 1 71 778 HIS . 16396 1 72 779 ARG . 16396 1 73 780 LEU . 16396 1 74 781 THR . 16396 1 75 782 HIS . 16396 1 76 783 TYR . 16396 1 77 784 ASP . 16396 1 78 785 HIS . 16396 1 79 786 VAL . 16396 1 80 787 LEU . 16396 1 81 788 ILE . 16396 1 82 789 GLU . 16396 1 83 790 LEU . 16396 1 84 791 THR . 16396 1 85 792 GLN . 16396 1 86 793 ALA . 16396 1 87 794 GLY . 16396 1 88 795 LEU . 16396 1 89 796 LYS . 16396 1 90 797 GLY . 16396 1 91 798 SER . 16396 1 92 799 THR . 16396 1 93 800 GLU . 16396 1 94 801 GLY . 16396 1 95 802 SER . 16396 1 96 803 GLU . 16396 1 97 804 SER . 16396 1 98 805 TYR . 16396 1 99 806 GLU . 16396 1 100 807 GLU . 16396 1 101 808 ASP . 16396 1 102 809 PRO . 16396 1 103 810 TYR . 16396 1 104 811 LEU . 16396 1 105 812 VAL . 16396 1 106 813 VAL . 16396 1 107 814 ASN . 16396 1 108 815 PRO . 16396 1 109 816 ASN . 16396 1 110 817 TYR . 16396 1 111 818 LEU . 16396 1 112 819 LEU . 16396 1 113 820 GLU . 16396 1 114 821 ASP . 16396 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 . ALA 1 1 16396 1 . PRO 2 2 16396 1 . LYS 3 3 16396 1 . ALA 4 4 16396 1 . SER 5 5 16396 1 . LEU 6 6 16396 1 . ARG 7 7 16396 1 . LEU 8 8 16396 1 . GLY 9 9 16396 1 . PHE 10 10 16396 1 . SER 11 11 16396 1 . GLU 12 12 16396 1 . TYR 13 13 16396 1 . SER 14 14 16396 1 . ARG 15 15 16396 1 . ILE 16 16 16396 1 . SER 17 17 16396 1 . ASN 18 18 16396 1 . LEU 19 19 16396 1 . ILE 20 20 16396 1 . VAL 21 21 16396 1 . LEU 22 22 16396 1 . HIS 23 23 16396 1 . LEU 24 24 16396 1 . ARG 25 25 16396 1 . LYS 26 26 16396 1 . VAL 27 27 16396 1 . GLU 28 28 16396 1 . GLU 29 29 16396 1 . GLU 30 30 16396 1 . GLU 31 31 16396 1 . ASP 32 32 16396 1 . GLU 33 33 16396 1 . SER 34 34 16396 1 . ALA 35 35 16396 1 . LEU 36 36 16396 1 . LYS 37 37 16396 1 . ARG 38 38 16396 1 . SER 39 39 16396 1 . GLU 40 40 16396 1 . LEU 41 41 16396 1 . VAL 42 42 16396 1 . ASN 43 43 16396 1 . TRP 44 44 16396 1 . TYR 45 45 16396 1 . LEU 46 46 16396 1 . LYS 47 47 16396 1 . GLU 48 48 16396 1 . ILE 49 49 16396 1 . GLU 50 50 16396 1 . SER 51 51 16396 1 . GLU 52 52 16396 1 . ILE 53 53 16396 1 . ASP 54 54 16396 1 . SER 55 55 16396 1 . GLU 56 56 16396 1 . GLU 57 57 16396 1 . GLU 58 58 16396 1 . LEU 59 59 16396 1 . ILE 60 60 16396 1 . ASN 61 61 16396 1 . LYS 62 62 16396 1 . LYS 63 63 16396 1 . ARG 64 64 16396 1 . ILE 65 65 16396 1 . ILE 66 66 16396 1 . GLU 67 67 16396 1 . LYS 68 68 16396 1 . VAL 69 69 16396 1 . ILE 70 70 16396 1 . HIS 71 71 16396 1 . ARG 72 72 16396 1 . LEU 73 73 16396 1 . THR 74 74 16396 1 . HIS 75 75 16396 1 . TYR 76 76 16396 1 . ASP 77 77 16396 1 . HIS 78 78 16396 1 . VAL 79 79 16396 1 . LEU 80 80 16396 1 . ILE 81 81 16396 1 . GLU 82 82 16396 1 . LEU 83 83 16396 1 . THR 84 84 16396 1 . GLN 85 85 16396 1 . ALA 86 86 16396 1 . GLY 87 87 16396 1 . LEU 88 88 16396 1 . LYS 89 89 16396 1 . GLY 90 90 16396 1 . SER 91 91 16396 1 . THR 92 92 16396 1 . GLU 93 93 16396 1 . GLY 94 94 16396 1 . SER 95 95 16396 1 . GLU 96 96 16396 1 . SER 97 97 16396 1 . TYR 98 98 16396 1 . GLU 99 99 16396 1 . GLU 100 100 16396 1 . ASP 101 101 16396 1 . PRO 102 102 16396 1 . TYR 103 103 16396 1 . LEU 104 104 16396 1 . VAL 105 105 16396 1 . VAL 106 106 16396 1 . ASN 107 107 16396 1 . PRO 108 108 16396 1 . ASN 109 109 16396 1 . TYR 110 110 16396 1 . LEU 111 111 16396 1 . LEU 112 112 16396 1 . GLU 113 113 16396 1 . ASP 114 114 16396 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 16396 _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 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 16396 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 16396 _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 . 'recombinant technology' 'Escherichia coli' 'E. coli' . 562 Escherichia coli . . . . . . . . . . . . . . . . pET-28a . . . . . . 16396 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16396 _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 CBD '[U-100% 13C; U-100% 15N]' . . 1 $entity . . 0.5 . . mM . . . . 16396 1 2 MES 'natural abundance' . . . . . . 50 . . mM . . . . 16396 1 3 EDTA 'natural abundance' . . . . . . 1 . . mM . . . . 16396 1 4 Glycerol 'natural abundance' . . . . . . 5 . . % . . . . 16396 1 5 NaCl 'natural abundance' . . . . . . 500 . . mM . . . . 16396 1 6 H2O 'natural abundance' . . . . . . 90 . . % . . . . 16396 1 7 D2O 'natural abundance' . . . . . . 10 . . % . . . . 16396 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 16396 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 CBD '[U-100% 13C; U-100% 15N]' . . 1 $entity . . 0.5 . . mM . . . . 16396 2 2 MES 'natural abundance' . . . . . . 50 . . mM . . . . 16396 2 3 EDTA 'natural abundance' . . . . . . 1 . . mM . . . . 16396 2 4 Glycerol 'natural abundance' . . . . . . 5 . . % . . . . 16396 2 5 NaCl 'natural abundance' . . . . . . 500 . . mM . . . . 16396 2 6 D2O 'natural abundance' . . . . . . 100 . . % . . . . 16396 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 16396 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 CBD 'natural abundance' . . 1 $entity . . 0.5 . . mM . . . . 16396 3 2 MES 'natural abundance' . . . . . . 50 . . mM . . . . 16396 3 3 EDTA 'natural abundance' . . . . . . 1 . . mM . . . . 16396 3 4 Glycerol 'natural abundance' . . . . . . 5 . . % . . . . 16396 3 5 NaCl 'natural abundance' . . . . . . 500 . . mM . . . . 16396 3 6 D2O 'natural abundance' . . . . . . 100 . . % . . . . 16396 3 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 16396 _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' 0.5 . M 16396 1 pH 6.5 . pH 16396 1 pressure 1 . atm 16396 1 temperature 310 . K 16396 1 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 16396 _Software.ID 1 _Software.Name CYANA _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 16396 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 16396 1 'structure solution' 16396 1 stop_ save_ save_Sparky _Software.Sf_category software _Software.Sf_framecode Sparky _Software.Entry_ID 16396 _Software.ID 2 _Software.Name SPARKY _Software.Version 3.113 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 16396 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 16396 2 'peak picking' 16396 2 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 16396 _Software.ID 3 _Software.Name CNS _Software.Version 1.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'A.T. Brunger' . . 16396 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 16396 3 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 16396 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 16396 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 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 16396 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian INOVA . 750 . . . 16396 1 2 spectrometer_2 Varian INOVA . 500 . . . 16396 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 16396 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16396 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16396 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16396 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16396 1 5 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16396 1 6 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16396 1 7 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16396 1 8 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16396 1 9 '3D HCCH-COSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16396 1 10 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16396 1 11 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16396 1 12 '3D 1H-13C NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16396 1 13 '2D 1H-1H NOESY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16396 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 16396 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 16396 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 16396 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 16396 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 16396 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 3 '3D CBCA(CO)NH' . . . 16396 1 4 '3D HNCACB' . . . 16396 1 6 '3D H(CCO)NH' . . . 16396 1 7 '3D C(CO)NH' . . . 16396 1 8 '3D HCCH-TOCSY' . . . 16396 1 9 '3D HCCH-COSY' . . . 16396 1 11 '3D 1H-15N NOESY' . . . 16396 1 12 '3D 1H-13C NOESY' . . . 16396 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $CYANA . . 16396 1 2 $Sparky . . 16396 1 3 $CNS . . 16396 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 ALA H H 1 8.253 0.020 . 1 . . . . 708 ALA H . 16396 1 2 . 1 1 1 1 ALA HA H 1 4.622 0.020 . 1 . . . . 708 ALA HA . 16396 1 3 . 1 1 1 1 ALA HB1 H 1 1.388 0.020 . 1 . . . . 708 ALA HB . 16396 1 4 . 1 1 1 1 ALA HB2 H 1 1.388 0.020 . 1 . . . . 708 ALA HB . 16396 1 5 . 1 1 1 1 ALA HB3 H 1 1.388 0.020 . 1 . . . . 708 ALA HB . 16396 1 6 . 1 1 1 1 ALA CA C 13 50.661 0.400 . 1 . . . . 708 ALA CA . 16396 1 7 . 1 1 1 1 ALA CB C 13 18.369 0.400 . 1 . . . . 708 ALA CB . 16396 1 8 . 1 1 1 1 ALA N N 15 125.985 0.400 . 1 . . . . 708 ALA N . 16396 1 9 . 1 1 2 2 PRO HA H 1 4.447 0.020 . 1 . . . . 709 PRO HA . 16396 1 10 . 1 1 2 2 PRO HB2 H 1 2.312 0.020 . 2 . . . . 709 PRO HB2 . 16396 1 11 . 1 1 2 2 PRO HB3 H 1 2.312 0.020 . 2 . . . . 709 PRO HB3 . 16396 1 12 . 1 1 2 2 PRO HD2 H 1 3.814 0.020 . 2 . . . . 709 PRO HD2 . 16396 1 13 . 1 1 2 2 PRO HD3 H 1 3.672 0.020 . 2 . . . . 709 PRO HD3 . 16396 1 14 . 1 1 2 2 PRO HG2 H 1 1.924 0.020 . 2 . . . . 709 PRO HG2 . 16396 1 15 . 1 1 2 2 PRO HG3 H 1 1.924 0.020 . 2 . . . . 709 PRO HG3 . 16396 1 16 . 1 1 2 2 PRO C C 13 177.140 0.400 . 1 . . . . 709 PRO C . 16396 1 17 . 1 1 2 2 PRO CA C 13 63.227 0.400 . 1 . . . . 709 PRO CA . 16396 1 18 . 1 1 2 2 PRO CB C 13 32.087 0.400 . 1 . . . . 709 PRO CB . 16396 1 19 . 1 1 2 2 PRO CD C 13 50.569 0.400 . 1 . . . . 709 PRO CD . 16396 1 20 . 1 1 2 2 PRO CG C 13 27.527 0.400 . 1 . . . . 709 PRO CG . 16396 1 21 . 1 1 3 3 LYS H H 1 8.319 0.020 . 1 . . . . 710 LYS H . 16396 1 22 . 1 1 3 3 LYS HA H 1 4.270 0.020 . 1 . . . . 710 LYS HA . 16396 1 23 . 1 1 3 3 LYS HB2 H 1 1.813 0.020 . 2 . . . . 710 LYS HB2 . 16396 1 24 . 1 1 3 3 LYS HB3 H 1 1.813 0.020 . 2 . . . . 710 LYS HB3 . 16396 1 25 . 1 1 3 3 LYS HE2 H 1 3.031 0.020 . 2 . . . . 710 LYS HE2 . 16396 1 26 . 1 1 3 3 LYS HE3 H 1 3.031 0.020 . 2 . . . . 710 LYS HE3 . 16396 1 27 . 1 1 3 3 LYS HG2 H 1 1.484 0.020 . 2 . . . . 710 LYS HG2 . 16396 1 28 . 1 1 3 3 LYS HG3 H 1 1.484 0.020 . 2 . . . . 710 LYS HG3 . 16396 1 29 . 1 1 3 3 LYS C C 13 176.662 0.400 . 1 . . . . 710 LYS C . 16396 1 30 . 1 1 3 3 LYS CA C 13 56.677 0.400 . 1 . . . . 710 LYS CA . 16396 1 31 . 1 1 3 3 LYS CB C 13 33.058 0.400 . 1 . . . . 710 LYS CB . 16396 1 32 . 1 1 3 3 LYS CD C 13 29.198 0.400 . 1 . . . . 710 LYS CD . 16396 1 33 . 1 1 3 3 LYS CE C 13 42.323 0.400 . 1 . . . . 710 LYS CE . 16396 1 34 . 1 1 3 3 LYS CG C 13 25.195 0.400 . 1 . . . . 710 LYS CG . 16396 1 35 . 1 1 3 3 LYS N N 15 120.413 0.400 . 1 . . . . 710 LYS N . 16396 1 36 . 1 1 4 4 ALA H H 1 8.228 0.020 . 1 . . . . 711 ALA H . 16396 1 37 . 1 1 4 4 ALA HA H 1 4.330 0.020 . 1 . . . . 711 ALA HA . 16396 1 38 . 1 1 4 4 ALA HB1 H 1 1.411 0.020 . 1 . . . . 711 ALA HB . 16396 1 39 . 1 1 4 4 ALA HB2 H 1 1.411 0.020 . 1 . . . . 711 ALA HB . 16396 1 40 . 1 1 4 4 ALA HB3 H 1 1.411 0.020 . 1 . . . . 711 ALA HB . 16396 1 41 . 1 1 4 4 ALA CA C 13 52.823 0.400 . 1 . . . . 711 ALA CA . 16396 1 42 . 1 1 4 4 ALA CB C 13 19.413 0.400 . 1 . . . . 711 ALA CB . 16396 1 43 . 1 1 4 4 ALA N N 15 123.623 0.400 . 1 . . . . 711 ALA N . 16396 1 44 . 1 1 5 5 SER H H 1 8.125 0.020 . 1 . . . . 712 SER H . 16396 1 45 . 1 1 5 5 SER HA H 1 4.419 0.020 . 1 . . . . 712 SER HA . 16396 1 46 . 1 1 5 5 SER HB2 H 1 3.869 0.020 . 2 . . . . 712 SER HB2 . 16396 1 47 . 1 1 5 5 SER HB3 H 1 3.869 0.020 . 2 . . . . 712 SER HB3 . 16396 1 48 . 1 1 5 5 SER C C 13 174.350 0.400 . 1 . . . . 712 SER C . 16396 1 49 . 1 1 5 5 SER CA C 13 58.492 0.400 . 1 . . . . 712 SER CA . 16396 1 50 . 1 1 5 5 SER CB C 13 63.935 0.400 . 1 . . . . 712 SER CB . 16396 1 51 . 1 1 5 5 SER N N 15 113.775 0.400 . 1 . . . . 712 SER N . 16396 1 52 . 1 1 6 6 LEU H H 1 8.105 0.020 . 1 . . . . 713 LEU H . 16396 1 53 . 1 1 6 6 LEU HA H 1 4.400 0.020 . 1 . . . . 713 LEU HA . 16396 1 54 . 1 1 6 6 LEU HB2 H 1 1.618 0.020 . 2 . . . . 713 LEU HB2 . 16396 1 55 . 1 1 6 6 LEU HB3 H 1 1.618 0.020 . 2 . . . . 713 LEU HB3 . 16396 1 56 . 1 1 6 6 LEU HD11 H 1 0.866 0.020 . 2 . . . . 713 LEU HD1 . 16396 1 57 . 1 1 6 6 LEU HD12 H 1 0.866 0.020 . 2 . . . . 713 LEU HD1 . 16396 1 58 . 1 1 6 6 LEU HD13 H 1 0.866 0.020 . 2 . . . . 713 LEU HD1 . 16396 1 59 . 1 1 6 6 LEU HD21 H 1 0.915 0.020 . 2 . . . . 713 LEU HD2 . 16396 1 60 . 1 1 6 6 LEU HD22 H 1 0.915 0.020 . 2 . . . . 713 LEU HD2 . 16396 1 61 . 1 1 6 6 LEU HD23 H 1 0.915 0.020 . 2 . . . . 713 LEU HD2 . 16396 1 62 . 1 1 6 6 LEU CA C 13 55.204 0.400 . 1 . . . . 713 LEU CA . 16396 1 63 . 1 1 6 6 LEU CB C 13 42.714 0.400 . 1 . . . . 713 LEU CB . 16396 1 64 . 1 1 6 6 LEU N N 15 122.941 0.400 . 1 . . . . 713 LEU N . 16396 1 65 . 1 1 7 7 ARG HB2 H 1 1.714 0.020 . 2 . . . . 714 ARG HB2 . 16396 1 66 . 1 1 7 7 ARG HB3 H 1 1.714 0.020 . 2 . . . . 714 ARG HB3 . 16396 1 67 . 1 1 7 7 ARG HD2 H 1 3.192 0.020 . 2 . . . . 714 ARG HD2 . 16396 1 68 . 1 1 7 7 ARG HD3 H 1 3.192 0.020 . 2 . . . . 714 ARG HD3 . 16396 1 69 . 1 1 7 7 ARG C C 13 175.597 0.400 . 1 . . . . 714 ARG C . 16396 1 70 . 1 1 7 7 ARG CA C 13 55.797 0.400 . 1 . . . . 714 ARG CA . 16396 1 71 . 1 1 7 7 ARG CB C 13 30.731 0.400 . 1 . . . . 714 ARG CB . 16396 1 72 . 1 1 7 7 ARG CD C 13 43.567 0.400 . 1 . . . . 714 ARG CD . 16396 1 73 . 1 1 8 8 LEU H H 1 8.134 0.020 . 1 . . . . 715 LEU H . 16396 1 74 . 1 1 8 8 LEU HA H 1 4.309 0.020 . 1 . . . . 715 LEU HA . 16396 1 75 . 1 1 8 8 LEU HB2 H 1 1.597 0.020 . 2 . . . . 715 LEU HB2 . 16396 1 76 . 1 1 8 8 LEU HB3 H 1 1.597 0.020 . 2 . . . . 715 LEU HB3 . 16396 1 77 . 1 1 8 8 LEU HD11 H 1 0.928 0.020 . 2 . . . . 715 LEU HD1 . 16396 1 78 . 1 1 8 8 LEU HD12 H 1 0.928 0.020 . 2 . . . . 715 LEU HD1 . 16396 1 79 . 1 1 8 8 LEU HD13 H 1 0.928 0.020 . 2 . . . . 715 LEU HD1 . 16396 1 80 . 1 1 8 8 LEU HD21 H 1 0.928 0.020 . 2 . . . . 715 LEU HD2 . 16396 1 81 . 1 1 8 8 LEU HD22 H 1 0.928 0.020 . 2 . . . . 715 LEU HD2 . 16396 1 82 . 1 1 8 8 LEU HD23 H 1 0.928 0.020 . 2 . . . . 715 LEU HD2 . 16396 1 83 . 1 1 8 8 LEU C C 13 176.801 0.400 . 1 . . . . 715 LEU C . 16396 1 84 . 1 1 8 8 LEU CA C 13 54.863 0.400 . 1 . . . . 715 LEU CA . 16396 1 85 . 1 1 8 8 LEU CB C 13 43.704 0.400 . 1 . . . . 715 LEU CB . 16396 1 86 . 1 1 8 8 LEU N N 15 122.875 0.400 . 1 . . . . 715 LEU N . 16396 1 87 . 1 1 9 9 GLY H H 1 8.639 0.020 . 1 . . . . 716 GLY H . 16396 1 88 . 1 1 9 9 GLY HA2 H 1 4.062 0.020 . 2 . . . . 716 GLY HA2 . 16396 1 89 . 1 1 9 9 GLY HA3 H 1 4.267 0.020 . 2 . . . . 716 GLY HA3 . 16396 1 90 . 1 1 9 9 GLY CA C 13 44.968 0.400 . 1 . . . . 716 GLY CA . 16396 1 91 . 1 1 9 9 GLY N N 15 110.984 0.400 . 1 . . . . 716 GLY N . 16396 1 92 . 1 1 10 10 PHE HA H 1 4.473 0.020 . 1 . . . . 717 PHE HA . 16396 1 93 . 1 1 10 10 PHE HD1 H 1 7.267 0.020 . 1 . . . . 717 PHE HD1 . 16396 1 94 . 1 1 10 10 PHE HD2 H 1 7.267 0.020 . 1 . . . . 717 PHE HD2 . 16396 1 95 . 1 1 10 10 PHE HE1 H 1 7.375 0.020 . 1 . . . . 717 PHE HE1 . 16396 1 96 . 1 1 10 10 PHE HE2 H 1 7.375 0.020 . 1 . . . . 717 PHE HE2 . 16396 1 97 . 1 1 10 10 PHE HZ H 1 7.322 0.020 . 1 . . . . 717 PHE HZ . 16396 1 98 . 1 1 10 10 PHE CD1 C 13 131.705 0.400 . 1 . . . . 717 PHE CD1 . 16396 1 99 . 1 1 10 10 PHE CE1 C 13 131.546 0.400 . 1 . . . . 717 PHE CE1 . 16396 1 100 . 1 1 10 10 PHE CZ C 13 130.015 0.400 . 1 . . . . 717 PHE CZ . 16396 1 101 . 1 1 11 11 SER HA H 1 4.240 0.020 . 1 . . . . 718 SER HA . 16396 1 102 . 1 1 11 11 SER HB2 H 1 4.016 0.020 . 2 . . . . 718 SER HB2 . 16396 1 103 . 1 1 11 11 SER HB3 H 1 4.063 0.020 . 2 . . . . 718 SER HB3 . 16396 1 104 . 1 1 11 11 SER C C 13 176.491 0.400 . 1 . . . . 718 SER C . 16396 1 105 . 1 1 11 11 SER CA C 13 61.428 0.400 . 1 . . . . 718 SER CA . 16396 1 106 . 1 1 11 11 SER CB C 13 62.737 0.400 . 1 . . . . 718 SER CB . 16396 1 107 . 1 1 12 12 GLU H H 1 8.110 0.020 . 1 . . . . 719 GLU H . 16396 1 108 . 1 1 12 12 GLU HA H 1 4.340 0.020 . 1 . . . . 719 GLU HA . 16396 1 109 . 1 1 12 12 GLU HB2 H 1 2.037 0.020 . 2 . . . . 719 GLU HB2 . 16396 1 110 . 1 1 12 12 GLU HB3 H 1 2.153 0.020 . 2 . . . . 719 GLU HB3 . 16396 1 111 . 1 1 12 12 GLU HG2 H 1 2.360 0.020 . 2 . . . . 719 GLU HG2 . 16396 1 112 . 1 1 12 12 GLU HG3 H 1 2.360 0.020 . 2 . . . . 719 GLU HG3 . 16396 1 113 . 1 1 12 12 GLU C C 13 177.768 0.400 . 1 . . . . 719 GLU C . 16396 1 114 . 1 1 12 12 GLU CA C 13 58.981 0.400 . 1 . . . . 719 GLU CA . 16396 1 115 . 1 1 12 12 GLU CB C 13 30.172 0.400 . 1 . . . . 719 GLU CB . 16396 1 116 . 1 1 12 12 GLU N N 15 122.368 0.400 . 1 . . . . 719 GLU N . 16396 1 117 . 1 1 13 13 TYR H H 1 8.389 0.020 . 1 . . . . 720 TYR H . 16396 1 118 . 1 1 13 13 TYR HA H 1 4.293 0.020 . 1 . . . . 720 TYR HA . 16396 1 119 . 1 1 13 13 TYR HB2 H 1 2.996 0.020 . 2 . . . . 720 TYR HB2 . 16396 1 120 . 1 1 13 13 TYR HB3 H 1 2.907 0.020 . 2 . . . . 720 TYR HB3 . 16396 1 121 . 1 1 13 13 TYR HD1 H 1 6.921 0.020 . 1 . . . . 720 TYR HD1 . 16396 1 122 . 1 1 13 13 TYR HD2 H 1 6.921 0.020 . 1 . . . . 720 TYR HD2 . 16396 1 123 . 1 1 13 13 TYR HE1 H 1 6.921 0.020 . 1 . . . . 720 TYR HE1 . 16396 1 124 . 1 1 13 13 TYR HE2 H 1 6.921 0.020 . 1 . . . . 720 TYR HE2 . 16396 1 125 . 1 1 13 13 TYR C C 13 178.379 0.400 . 1 . . . . 720 TYR C . 16396 1 126 . 1 1 13 13 TYR CA C 13 61.614 0.400 . 1 . . . . 720 TYR CA . 16396 1 127 . 1 1 13 13 TYR CB C 13 38.526 0.400 . 1 . . . . 720 TYR CB . 16396 1 128 . 1 1 13 13 TYR N N 15 118.519 0.400 . 1 . . . . 720 TYR N . 16396 1 129 . 1 1 14 14 SER H H 1 8.514 0.020 . 1 . . . . 721 SER H . 16396 1 130 . 1 1 14 14 SER HB2 H 1 3.775 0.020 . 2 . . . . 721 SER HB2 . 16396 1 131 . 1 1 14 14 SER HB3 H 1 3.775 0.020 . 2 . . . . 721 SER HB3 . 16396 1 132 . 1 1 14 14 SER C C 13 175.881 0.400 . 1 . . . . 721 SER C . 16396 1 133 . 1 1 14 14 SER CA C 13 61.713 0.400 . 1 . . . . 721 SER CA . 16396 1 134 . 1 1 14 14 SER N N 15 114.966 0.400 . 1 . . . . 721 SER N . 16396 1 135 . 1 1 15 15 ARG H H 1 7.893 0.020 . 1 . . . . 722 ARG H . 16396 1 136 . 1 1 15 15 ARG HA H 1 4.112 0.020 . 1 . . . . 722 ARG HA . 16396 1 137 . 1 1 15 15 ARG HB2 H 1 2.037 0.020 . 2 . . . . 722 ARG HB2 . 16396 1 138 . 1 1 15 15 ARG HB3 H 1 2.037 0.020 . 2 . . . . 722 ARG HB3 . 16396 1 139 . 1 1 15 15 ARG HG2 H 1 1.587 0.020 . 2 . . . . 722 ARG HG2 . 16396 1 140 . 1 1 15 15 ARG HG3 H 1 1.587 0.020 . 2 . . . . 722 ARG HG3 . 16396 1 141 . 1 1 15 15 ARG CA C 13 59.757 0.400 . 1 . . . . 722 ARG CA . 16396 1 142 . 1 1 15 15 ARG CB C 13 30.477 0.400 . 1 . . . . 722 ARG CB . 16396 1 143 . 1 1 15 15 ARG N N 15 121.528 0.400 . 1 . . . . 722 ARG N . 16396 1 144 . 1 1 16 16 ILE H H 1 8.338 0.020 . 1 . . . . 723 ILE H . 16396 1 145 . 1 1 16 16 ILE HA H 1 3.723 0.020 . 1 . . . . 723 ILE HA . 16396 1 146 . 1 1 16 16 ILE HB H 1 2.130 0.020 . 1 . . . . 723 ILE HB . 16396 1 147 . 1 1 16 16 ILE HD11 H 1 0.901 0.020 . 1 . . . . 723 ILE HD1 . 16396 1 148 . 1 1 16 16 ILE HD12 H 1 0.901 0.020 . 1 . . . . 723 ILE HD1 . 16396 1 149 . 1 1 16 16 ILE HD13 H 1 0.901 0.020 . 1 . . . . 723 ILE HD1 . 16396 1 150 . 1 1 16 16 ILE HG12 H 1 1.238 0.020 . 2 . . . . 723 ILE HG12 . 16396 1 151 . 1 1 16 16 ILE HG13 H 1 1.838 0.020 . 2 . . . . 723 ILE HG13 . 16396 1 152 . 1 1 16 16 ILE HG21 H 1 0.895 0.020 . 1 . . . . 723 ILE HG2 . 16396 1 153 . 1 1 16 16 ILE HG22 H 1 0.895 0.020 . 1 . . . . 723 ILE HG2 . 16396 1 154 . 1 1 16 16 ILE HG23 H 1 0.895 0.020 . 1 . . . . 723 ILE HG2 . 16396 1 155 . 1 1 16 16 ILE C C 13 177.906 0.400 . 1 . . . . 723 ILE C . 16396 1 156 . 1 1 16 16 ILE CA C 13 65.645 0.400 . 1 . . . . 723 ILE CA . 16396 1 157 . 1 1 16 16 ILE CB C 13 32.114 0.400 . 1 . . . . 723 ILE CB . 16396 1 158 . 1 1 16 16 ILE CD1 C 13 13.130 0.400 . 1 . . . . 723 ILE CD1 . 16396 1 159 . 1 1 16 16 ILE CG2 C 13 17.242 0.400 . 1 . . . . 723 ILE CG2 . 16396 1 160 . 1 1 16 16 ILE N N 15 118.476 0.400 . 1 . . . . 723 ILE N . 16396 1 161 . 1 1 17 17 SER H H 1 8.280 0.020 . 1 . . . . 724 SER H . 16396 1 162 . 1 1 17 17 SER HB2 H 1 3.912 0.020 . 2 . . . . 724 SER HB2 . 16396 1 163 . 1 1 17 17 SER HB3 H 1 3.912 0.020 . 2 . . . . 724 SER HB3 . 16396 1 164 . 1 1 17 17 SER C C 13 175.543 0.400 . 1 . . . . 724 SER C . 16396 1 165 . 1 1 17 17 SER CA C 13 62.669 0.400 . 1 . . . . 724 SER CA . 16396 1 166 . 1 1 17 17 SER N N 15 113.764 0.400 . 1 . . . . 724 SER N . 16396 1 167 . 1 1 18 18 ASN H H 1 7.878 0.020 . 1 . . . . 725 ASN H . 16396 1 168 . 1 1 18 18 ASN HA H 1 4.434 0.020 . 1 . . . . 725 ASN HA . 16396 1 169 . 1 1 18 18 ASN HB2 H 1 2.819 0.020 . 2 . . . . 725 ASN HB2 . 16396 1 170 . 1 1 18 18 ASN HB3 H 1 2.993 0.020 . 2 . . . . 725 ASN HB3 . 16396 1 171 . 1 1 18 18 ASN HD21 H 1 7.599 0.020 . 2 . . . . 725 ASN HD21 . 16396 1 172 . 1 1 18 18 ASN HD22 H 1 6.870 0.020 . 2 . . . . 725 ASN HD22 . 16396 1 173 . 1 1 18 18 ASN C C 13 176.935 0.400 . 1 . . . . 725 ASN C . 16396 1 174 . 1 1 18 18 ASN CA C 13 56.919 0.400 . 1 . . . . 725 ASN CA . 16396 1 175 . 1 1 18 18 ASN CB C 13 38.941 0.400 . 1 . . . . 725 ASN CB . 16396 1 176 . 1 1 18 18 ASN N N 15 117.580 0.400 . 1 . . . . 725 ASN N . 16396 1 177 . 1 1 18 18 ASN ND2 N 15 111.672 0.400 . 1 . . . . 725 ASN ND2 . 16396 1 178 . 1 1 19 19 LEU H H 1 7.651 0.020 . 1 . . . . 726 LEU H . 16396 1 179 . 1 1 19 19 LEU HA H 1 4.288 0.020 . 1 . . . . 726 LEU HA . 16396 1 180 . 1 1 19 19 LEU HB2 H 1 2.096 0.020 . 2 . . . . 726 LEU HB2 . 16396 1 181 . 1 1 19 19 LEU HB3 H 1 2.274 0.020 . 2 . . . . 726 LEU HB3 . 16396 1 182 . 1 1 19 19 LEU HD11 H 1 1.145 0.020 . 2 . . . . 726 LEU HD1 . 16396 1 183 . 1 1 19 19 LEU HD12 H 1 1.145 0.020 . 2 . . . . 726 LEU HD1 . 16396 1 184 . 1 1 19 19 LEU HD13 H 1 1.145 0.020 . 2 . . . . 726 LEU HD1 . 16396 1 185 . 1 1 19 19 LEU HD21 H 1 1.104 0.020 . 2 . . . . 726 LEU HD2 . 16396 1 186 . 1 1 19 19 LEU HD22 H 1 1.104 0.020 . 2 . . . . 726 LEU HD2 . 16396 1 187 . 1 1 19 19 LEU HD23 H 1 1.104 0.020 . 2 . . . . 726 LEU HD2 . 16396 1 188 . 1 1 19 19 LEU HG H 1 2.149 0.020 . 1 . . . . 726 LEU HG . 16396 1 189 . 1 1 19 19 LEU C C 13 180.065 0.400 . 1 . . . . 726 LEU C . 16396 1 190 . 1 1 19 19 LEU CA C 13 58.584 0.400 . 1 . . . . 726 LEU CA . 16396 1 191 . 1 1 19 19 LEU CB C 13 42.525 0.400 . 1 . . . . 726 LEU CB . 16396 1 192 . 1 1 19 19 LEU CD1 C 13 25.561 0.400 . 1 . . . . 726 LEU CD1 . 16396 1 193 . 1 1 19 19 LEU CD2 C 13 24.190 0.400 . 1 . . . . 726 LEU CD2 . 16396 1 194 . 1 1 19 19 LEU N N 15 118.097 0.400 . 1 . . . . 726 LEU N . 16396 1 195 . 1 1 20 20 ILE H H 1 8.277 0.020 . 1 . . . . 727 ILE H . 16396 1 196 . 1 1 20 20 ILE HA H 1 3.773 0.020 . 1 . . . . 727 ILE HA . 16396 1 197 . 1 1 20 20 ILE HB H 1 2.142 0.020 . 1 . . . . 727 ILE HB . 16396 1 198 . 1 1 20 20 ILE HD11 H 1 0.770 0.020 . 1 . . . . 727 ILE HD1 . 16396 1 199 . 1 1 20 20 ILE HD12 H 1 0.770 0.020 . 1 . . . . 727 ILE HD1 . 16396 1 200 . 1 1 20 20 ILE HD13 H 1 0.770 0.020 . 1 . . . . 727 ILE HD1 . 16396 1 201 . 1 1 20 20 ILE HG12 H 1 1.326 0.020 . 2 . . . . 727 ILE HG12 . 16396 1 202 . 1 1 20 20 ILE HG13 H 1 1.850 0.020 . 2 . . . . 727 ILE HG13 . 16396 1 203 . 1 1 20 20 ILE HG21 H 1 0.912 0.020 . 1 . . . . 727 ILE HG2 . 16396 1 204 . 1 1 20 20 ILE HG22 H 1 0.912 0.020 . 1 . . . . 727 ILE HG2 . 16396 1 205 . 1 1 20 20 ILE HG23 H 1 0.912 0.020 . 1 . . . . 727 ILE HG2 . 16396 1 206 . 1 1 20 20 ILE C C 13 177.186 0.400 . 1 . . . . 727 ILE C . 16396 1 207 . 1 1 20 20 ILE CA C 13 65.455 0.400 . 1 . . . . 727 ILE CA . 16396 1 208 . 1 1 20 20 ILE CB C 13 37.892 0.400 . 1 . . . . 727 ILE CB . 16396 1 209 . 1 1 20 20 ILE CD1 C 13 13.792 0.400 . 1 . . . . 727 ILE CD1 . 16396 1 210 . 1 1 20 20 ILE CG2 C 13 17.999 0.400 . 1 . . . . 727 ILE CG2 . 16396 1 211 . 1 1 20 20 ILE N N 15 117.826 0.400 . 1 . . . . 727 ILE N . 16396 1 212 . 1 1 21 21 VAL H H 1 8.414 0.020 . 1 . . . . 728 VAL H . 16396 1 213 . 1 1 21 21 VAL HA H 1 3.402 0.020 . 1 . . . . 728 VAL HA . 16396 1 214 . 1 1 21 21 VAL HB H 1 2.167 0.020 . 1 . . . . 728 VAL HB . 16396 1 215 . 1 1 21 21 VAL HG11 H 1 0.940 0.020 . 2 . . . . 728 VAL HG1 . 16396 1 216 . 1 1 21 21 VAL HG12 H 1 0.940 0.020 . 2 . . . . 728 VAL HG1 . 16396 1 217 . 1 1 21 21 VAL HG13 H 1 0.940 0.020 . 2 . . . . 728 VAL HG1 . 16396 1 218 . 1 1 21 21 VAL HG21 H 1 0.927 0.020 . 2 . . . . 728 VAL HG2 . 16396 1 219 . 1 1 21 21 VAL HG22 H 1 0.927 0.020 . 2 . . . . 728 VAL HG2 . 16396 1 220 . 1 1 21 21 VAL HG23 H 1 0.927 0.020 . 2 . . . . 728 VAL HG2 . 16396 1 221 . 1 1 21 21 VAL C C 13 177.773 0.400 . 1 . . . . 728 VAL C . 16396 1 222 . 1 1 21 21 VAL CA C 13 67.537 0.400 . 1 . . . . 728 VAL CA . 16396 1 223 . 1 1 21 21 VAL CB C 13 31.726 0.400 . 1 . . . . 728 VAL CB . 16396 1 224 . 1 1 21 21 VAL CG1 C 13 21.523 0.400 . 1 . . . . 728 VAL CG1 . 16396 1 225 . 1 1 21 21 VAL CG2 C 13 23.597 0.400 . 1 . . . . 728 VAL CG2 . 16396 1 226 . 1 1 21 21 VAL N N 15 119.422 0.400 . 1 . . . . 728 VAL N . 16396 1 227 . 1 1 22 22 LEU H H 1 8.249 0.020 . 1 . . . . 729 LEU H . 16396 1 228 . 1 1 22 22 LEU HA H 1 4.032 0.020 . 1 . . . . 729 LEU HA . 16396 1 229 . 1 1 22 22 LEU HB2 H 1 1.728 0.020 . 2 . . . . 729 LEU HB2 . 16396 1 230 . 1 1 22 22 LEU HB3 H 1 1.984 0.020 . 2 . . . . 729 LEU HB3 . 16396 1 231 . 1 1 22 22 LEU HD11 H 1 0.976 0.020 . 2 . . . . 729 LEU HD1 . 16396 1 232 . 1 1 22 22 LEU HD12 H 1 0.976 0.020 . 2 . . . . 729 LEU HD1 . 16396 1 233 . 1 1 22 22 LEU HD13 H 1 0.976 0.020 . 2 . . . . 729 LEU HD1 . 16396 1 234 . 1 1 22 22 LEU HD21 H 1 0.990 0.020 . 2 . . . . 729 LEU HD2 . 16396 1 235 . 1 1 22 22 LEU HD22 H 1 0.990 0.020 . 2 . . . . 729 LEU HD2 . 16396 1 236 . 1 1 22 22 LEU HD23 H 1 0.990 0.020 . 2 . . . . 729 LEU HD2 . 16396 1 237 . 1 1 22 22 LEU HG H 1 1.899 0.020 . 1 . . . . 729 LEU HG . 16396 1 238 . 1 1 22 22 LEU C C 13 179.998 0.400 . 1 . . . . 729 LEU C . 16396 1 239 . 1 1 22 22 LEU CA C 13 58.304 0.400 . 1 . . . . 729 LEU CA . 16396 1 240 . 1 1 22 22 LEU CB C 13 41.644 0.400 . 1 . . . . 729 LEU CB . 16396 1 241 . 1 1 22 22 LEU CD1 C 13 23.643 0.400 . 1 . . . . 729 LEU CD1 . 16396 1 242 . 1 1 22 22 LEU CD2 C 13 25.277 0.400 . 1 . . . . 729 LEU CD2 . 16396 1 243 . 1 1 22 22 LEU N N 15 117.546 0.400 . 1 . . . . 729 LEU N . 16396 1 244 . 1 1 23 23 HIS H H 1 7.905 0.020 . 1 . . . . 730 HIS H . 16396 1 245 . 1 1 23 23 HIS HA H 1 4.199 0.020 . 1 . . . . 730 HIS HA . 16396 1 246 . 1 1 23 23 HIS HB2 H 1 2.580 0.020 . 2 . . . . 730 HIS HB2 . 16396 1 247 . 1 1 23 23 HIS HB3 H 1 2.780 0.020 . 2 . . . . 730 HIS HB3 . 16396 1 248 . 1 1 23 23 HIS C C 13 176.418 0.400 . 1 . . . . 730 HIS C . 16396 1 249 . 1 1 23 23 HIS CA C 13 59.308 0.400 . 1 . . . . 730 HIS CA . 16396 1 250 . 1 1 23 23 HIS CB C 13 28.652 0.400 . 1 . . . . 730 HIS CB . 16396 1 251 . 1 1 23 23 HIS N N 15 116.918 0.400 . 1 . . . . 730 HIS N . 16396 1 252 . 1 1 24 24 LEU H H 1 8.337 0.020 . 1 . . . . 731 LEU H . 16396 1 253 . 1 1 24 24 LEU HA H 1 3.771 0.020 . 1 . . . . 731 LEU HA . 16396 1 254 . 1 1 24 24 LEU HB2 H 1 1.769 0.020 . 2 . . . . 731 LEU HB2 . 16396 1 255 . 1 1 24 24 LEU HB3 H 1 1.769 0.020 . 2 . . . . 731 LEU HB3 . 16396 1 256 . 1 1 24 24 LEU HD11 H 1 0.883 0.020 . 2 . . . . 731 LEU HD1 . 16396 1 257 . 1 1 24 24 LEU HD12 H 1 0.883 0.020 . 2 . . . . 731 LEU HD1 . 16396 1 258 . 1 1 24 24 LEU HD13 H 1 0.883 0.020 . 2 . . . . 731 LEU HD1 . 16396 1 259 . 1 1 24 24 LEU HD21 H 1 0.883 0.020 . 2 . . . . 731 LEU HD2 . 16396 1 260 . 1 1 24 24 LEU HD22 H 1 0.883 0.020 . 2 . . . . 731 LEU HD2 . 16396 1 261 . 1 1 24 24 LEU HD23 H 1 0.883 0.020 . 2 . . . . 731 LEU HD2 . 16396 1 262 . 1 1 24 24 LEU C C 13 179.892 0.400 . 1 . . . . 731 LEU C . 16396 1 263 . 1 1 24 24 LEU CA C 13 57.922 0.400 . 1 . . . . 731 LEU CA . 16396 1 264 . 1 1 24 24 LEU CB C 13 41.733 0.400 . 1 . . . . 731 LEU CB . 16396 1 265 . 1 1 24 24 LEU N N 15 117.507 0.400 . 1 . . . . 731 LEU N . 16396 1 266 . 1 1 25 25 ARG H H 1 8.400 0.020 . 1 . . . . 732 ARG H . 16396 1 267 . 1 1 25 25 ARG HA H 1 4.055 0.020 . 1 . . . . 732 ARG HA . 16396 1 268 . 1 1 25 25 ARG HB2 H 1 1.721 0.020 . 2 . . . . 732 ARG HB2 . 16396 1 269 . 1 1 25 25 ARG HB3 H 1 1.721 0.020 . 2 . . . . 732 ARG HB3 . 16396 1 270 . 1 1 25 25 ARG HD2 H 1 3.187 0.020 . 2 . . . . 732 ARG HD2 . 16396 1 271 . 1 1 25 25 ARG HD3 H 1 3.187 0.020 . 2 . . . . 732 ARG HD3 . 16396 1 272 . 1 1 25 25 ARG HG2 H 1 1.509 0.020 . 2 . . . . 732 ARG HG2 . 16396 1 273 . 1 1 25 25 ARG HG3 H 1 1.509 0.020 . 2 . . . . 732 ARG HG3 . 16396 1 274 . 1 1 25 25 ARG C C 13 178.398 0.400 . 1 . . . . 732 ARG C . 16396 1 275 . 1 1 25 25 ARG CA C 13 59.387 0.400 . 1 . . . . 732 ARG CA . 16396 1 276 . 1 1 25 25 ARG CB C 13 29.812 0.400 . 1 . . . . 732 ARG CB . 16396 1 277 . 1 1 25 25 ARG CD C 13 43.630 0.400 . 1 . . . . 732 ARG CD . 16396 1 278 . 1 1 25 25 ARG N N 15 118.175 0.400 . 1 . . . . 732 ARG N . 16396 1 279 . 1 1 26 26 LYS H H 1 7.595 0.020 . 1 . . . . 733 LYS H . 16396 1 280 . 1 1 26 26 LYS HA H 1 4.079 0.020 . 1 . . . . 733 LYS HA . 16396 1 281 . 1 1 26 26 LYS HB2 H 1 1.911 0.020 . 2 . . . . 733 LYS HB2 . 16396 1 282 . 1 1 26 26 LYS HB3 H 1 1.911 0.020 . 2 . . . . 733 LYS HB3 . 16396 1 283 . 1 1 26 26 LYS HD2 H 1 1.720 0.020 . 2 . . . . 733 LYS HD2 . 16396 1 284 . 1 1 26 26 LYS HD3 H 1 1.720 0.020 . 2 . . . . 733 LYS HD3 . 16396 1 285 . 1 1 26 26 LYS HE2 H 1 3.025 0.020 . 2 . . . . 733 LYS HE2 . 16396 1 286 . 1 1 26 26 LYS HE3 H 1 3.025 0.020 . 2 . . . . 733 LYS HE3 . 16396 1 287 . 1 1 26 26 LYS HG2 H 1 1.516 0.020 . 2 . . . . 733 LYS HG2 . 16396 1 288 . 1 1 26 26 LYS HG3 H 1 1.516 0.020 . 2 . . . . 733 LYS HG3 . 16396 1 289 . 1 1 26 26 LYS C C 13 178.947 0.400 . 1 . . . . 733 LYS C . 16396 1 290 . 1 1 26 26 LYS CA C 13 59.187 0.400 . 1 . . . . 733 LYS CA . 16396 1 291 . 1 1 26 26 LYS CB C 13 31.968 0.400 . 1 . . . . 733 LYS CB . 16396 1 292 . 1 1 26 26 LYS CE C 13 42.253 0.400 . 1 . . . . 733 LYS CE . 16396 1 293 . 1 1 26 26 LYS N N 15 119.946 0.400 . 1 . . . . 733 LYS N . 16396 1 294 . 1 1 27 27 VAL H H 1 7.871 0.020 . 1 . . . . 734 VAL H . 16396 1 295 . 1 1 27 27 VAL HA H 1 3.606 0.020 . 1 . . . . 734 VAL HA . 16396 1 296 . 1 1 27 27 VAL HB H 1 1.961 0.020 . 1 . . . . 734 VAL HB . 16396 1 297 . 1 1 27 27 VAL HG11 H 1 0.720 0.020 . 2 . . . . 734 VAL HG1 . 16396 1 298 . 1 1 27 27 VAL HG12 H 1 0.720 0.020 . 2 . . . . 734 VAL HG1 . 16396 1 299 . 1 1 27 27 VAL HG13 H 1 0.720 0.020 . 2 . . . . 734 VAL HG1 . 16396 1 300 . 1 1 27 27 VAL HG21 H 1 0.552 0.020 . 2 . . . . 734 VAL HG2 . 16396 1 301 . 1 1 27 27 VAL HG22 H 1 0.552 0.020 . 2 . . . . 734 VAL HG2 . 16396 1 302 . 1 1 27 27 VAL HG23 H 1 0.552 0.020 . 2 . . . . 734 VAL HG2 . 16396 1 303 . 1 1 27 27 VAL C C 13 178.311 0.400 . 1 . . . . 734 VAL C . 16396 1 304 . 1 1 27 27 VAL CA C 13 65.902 0.400 . 1 . . . . 734 VAL CA . 16396 1 305 . 1 1 27 27 VAL CB C 13 31.676 0.400 . 1 . . . . 734 VAL CB . 16396 1 306 . 1 1 27 27 VAL CG1 C 13 21.733 0.400 . 1 . . . . 734 VAL CG1 . 16396 1 307 . 1 1 27 27 VAL CG2 C 13 21.523 0.400 . 1 . . . . 734 VAL CG2 . 16396 1 308 . 1 1 27 27 VAL N N 15 117.273 0.400 . 1 . . . . 734 VAL N . 16396 1 309 . 1 1 28 28 GLU H H 1 7.891 0.020 . 1 . . . . 735 GLU H . 16396 1 310 . 1 1 28 28 GLU HA H 1 4.015 0.020 . 1 . . . . 735 GLU HA . 16396 1 311 . 1 1 28 28 GLU HB2 H 1 2.170 0.020 . 2 . . . . 735 GLU HB2 . 16396 1 312 . 1 1 28 28 GLU HB3 H 1 2.170 0.020 . 2 . . . . 735 GLU HB3 . 16396 1 313 . 1 1 28 28 GLU HG2 H 1 2.296 0.020 . 2 . . . . 735 GLU HG2 . 16396 1 314 . 1 1 28 28 GLU HG3 H 1 2.443 0.020 . 2 . . . . 735 GLU HG3 . 16396 1 315 . 1 1 28 28 GLU C C 13 178.458 0.400 . 1 . . . . 735 GLU C . 16396 1 316 . 1 1 28 28 GLU CA C 13 59.194 0.400 . 1 . . . . 735 GLU CA . 16396 1 317 . 1 1 28 28 GLU CB C 13 29.915 0.400 . 1 . . . . 735 GLU CB . 16396 1 318 . 1 1 28 28 GLU CG C 13 36.374 0.400 . 1 . . . . 735 GLU CG . 16396 1 319 . 1 1 28 28 GLU N N 15 118.474 0.400 . 1 . . . . 735 GLU N . 16396 1 320 . 1 1 29 29 GLU H H 1 7.690 0.020 . 1 . . . . 736 GLU H . 16396 1 321 . 1 1 29 29 GLU HA H 1 4.188 0.020 . 1 . . . . 736 GLU HA . 16396 1 322 . 1 1 29 29 GLU HB2 H 1 2.166 0.020 . 2 . . . . 736 GLU HB2 . 16396 1 323 . 1 1 29 29 GLU HB3 H 1 2.166 0.020 . 2 . . . . 736 GLU HB3 . 16396 1 324 . 1 1 29 29 GLU HG2 H 1 2.476 0.020 . 2 . . . . 736 GLU HG2 . 16396 1 325 . 1 1 29 29 GLU HG3 H 1 2.476 0.020 . 2 . . . . 736 GLU HG3 . 16396 1 326 . 1 1 29 29 GLU C C 13 177.970 0.400 . 1 . . . . 736 GLU C . 16396 1 327 . 1 1 29 29 GLU CA C 13 58.100 0.400 . 1 . . . . 736 GLU CA . 16396 1 328 . 1 1 29 29 GLU CB C 13 30.425 0.400 . 1 . . . . 736 GLU CB . 16396 1 329 . 1 1 29 29 GLU CG C 13 36.550 0.400 . 1 . . . . 736 GLU CG . 16396 1 330 . 1 1 29 29 GLU N N 15 116.126 0.400 . 1 . . . . 736 GLU N . 16396 1 331 . 1 1 30 30 GLU H H 1 7.923 0.020 . 1 . . . . 737 GLU H . 16396 1 332 . 1 1 30 30 GLU HA H 1 4.349 0.020 . 1 . . . . 737 GLU HA . 16396 1 333 . 1 1 30 30 GLU HB2 H 1 2.155 0.020 . 2 . . . . 737 GLU HB2 . 16396 1 334 . 1 1 30 30 GLU HB3 H 1 2.155 0.020 . 2 . . . . 737 GLU HB3 . 16396 1 335 . 1 1 30 30 GLU HG2 H 1 2.293 0.020 . 2 . . . . 737 GLU HG2 . 16396 1 336 . 1 1 30 30 GLU HG3 H 1 2.454 0.020 . 2 . . . . 737 GLU HG3 . 16396 1 337 . 1 1 30 30 GLU C C 13 177.061 0.400 . 1 . . . . 737 GLU C . 16396 1 338 . 1 1 30 30 GLU CA C 13 57.185 0.400 . 1 . . . . 737 GLU CA . 16396 1 339 . 1 1 30 30 GLU CB C 13 30.522 0.400 . 1 . . . . 737 GLU CB . 16396 1 340 . 1 1 30 30 GLU N N 15 116.695 0.400 . 1 . . . . 737 GLU N . 16396 1 341 . 1 1 31 31 GLU H H 1 8.195 0.020 . 1 . . . . 738 GLU H . 16396 1 342 . 1 1 31 31 GLU HA H 1 4.354 0.020 . 1 . . . . 738 GLU HA . 16396 1 343 . 1 1 31 31 GLU HB2 H 1 2.068 0.020 . 2 . . . . 738 GLU HB2 . 16396 1 344 . 1 1 31 31 GLU HB3 H 1 2.068 0.020 . 2 . . . . 738 GLU HB3 . 16396 1 345 . 1 1 31 31 GLU HG2 H 1 2.292 0.020 . 2 . . . . 738 GLU HG2 . 16396 1 346 . 1 1 31 31 GLU HG3 H 1 2.292 0.020 . 2 . . . . 738 GLU HG3 . 16396 1 347 . 1 1 31 31 GLU C C 13 176.401 0.400 . 1 . . . . 738 GLU C . 16396 1 348 . 1 1 31 31 GLU CA C 13 56.673 0.400 . 1 . . . . 738 GLU CA . 16396 1 349 . 1 1 31 31 GLU CB C 13 30.065 0.400 . 1 . . . . 738 GLU CB . 16396 1 350 . 1 1 31 31 GLU CG C 13 36.495 0.400 . 1 . . . . 738 GLU CG . 16396 1 351 . 1 1 31 31 GLU N N 15 117.755 0.400 . 1 . . . . 738 GLU N . 16396 1 352 . 1 1 32 32 ASP H H 1 8.202 0.020 . 1 . . . . 739 ASP H . 16396 1 353 . 1 1 32 32 ASP HA H 1 4.608 0.020 . 1 . . . . 739 ASP HA . 16396 1 354 . 1 1 32 32 ASP HB2 H 1 2.643 0.020 . 2 . . . . 739 ASP HB2 . 16396 1 355 . 1 1 32 32 ASP HB3 H 1 2.820 0.020 . 2 . . . . 739 ASP HB3 . 16396 1 356 . 1 1 32 32 ASP C C 13 176.193 0.400 . 1 . . . . 739 ASP C . 16396 1 357 . 1 1 32 32 ASP CA C 13 55.003 0.400 . 1 . . . . 739 ASP CA . 16396 1 358 . 1 1 32 32 ASP CB C 13 40.870 0.400 . 1 . . . . 739 ASP CB . 16396 1 359 . 1 1 32 32 ASP N N 15 118.210 0.400 . 1 . . . . 739 ASP N . 16396 1 360 . 1 1 33 33 GLU H H 1 8.030 0.020 . 1 . . . . 740 GLU H . 16396 1 361 . 1 1 33 33 GLU HA H 1 4.300 0.020 . 1 . . . . 740 GLU HA . 16396 1 362 . 1 1 33 33 GLU HB2 H 1 1.939 0.020 . 2 . . . . 740 GLU HB2 . 16396 1 363 . 1 1 33 33 GLU HB3 H 1 2.058 0.020 . 2 . . . . 740 GLU HB3 . 16396 1 364 . 1 1 33 33 GLU HG2 H 1 2.250 0.020 . 2 . . . . 740 GLU HG2 . 16396 1 365 . 1 1 33 33 GLU HG3 H 1 2.250 0.020 . 2 . . . . 740 GLU HG3 . 16396 1 366 . 1 1 33 33 GLU C C 13 174.320 0.400 . 1 . . . . 740 GLU C . 16396 1 367 . 1 1 33 33 GLU CA C 13 56.778 0.400 . 1 . . . . 740 GLU CA . 16396 1 368 . 1 1 33 33 GLU CB C 13 30.122 0.400 . 1 . . . . 740 GLU CB . 16396 1 369 . 1 1 33 33 GLU N N 15 118.472 0.400 . 1 . . . . 740 GLU N . 16396 1 370 . 1 1 34 34 SER H H 1 8.157 0.020 . 1 . . . . 741 SER H . 16396 1 371 . 1 1 34 34 SER HA H 1 4.325 0.020 . 1 . . . . 741 SER HA . 16396 1 372 . 1 1 34 34 SER HB2 H 1 3.886 0.020 . 2 . . . . 741 SER HB2 . 16396 1 373 . 1 1 34 34 SER HB3 H 1 3.886 0.020 . 2 . . . . 741 SER HB3 . 16396 1 374 . 1 1 34 34 SER C C 13 173.455 0.400 . 1 . . . . 741 SER C . 16396 1 375 . 1 1 34 34 SER CA C 13 59.287 0.400 . 1 . . . . 741 SER CA . 16396 1 376 . 1 1 34 34 SER CB C 13 64.076 0.400 . 1 . . . . 741 SER CB . 16396 1 377 . 1 1 34 34 SER N N 15 114.640 0.400 . 1 . . . . 741 SER N . 16396 1 378 . 1 1 35 35 ALA H H 1 7.624 0.020 . 1 . . . . 742 ALA H . 16396 1 379 . 1 1 35 35 ALA HA H 1 4.502 0.020 . 1 . . . . 742 ALA HA . 16396 1 380 . 1 1 35 35 ALA HB1 H 1 1.265 0.020 . 1 . . . . 742 ALA HB . 16396 1 381 . 1 1 35 35 ALA HB2 H 1 1.265 0.020 . 1 . . . . 742 ALA HB . 16396 1 382 . 1 1 35 35 ALA HB3 H 1 1.265 0.020 . 1 . . . . 742 ALA HB . 16396 1 383 . 1 1 35 35 ALA C C 13 176.291 0.400 . 1 . . . . 742 ALA C . 16396 1 384 . 1 1 35 35 ALA CA C 13 52.096 0.400 . 1 . . . . 742 ALA CA . 16396 1 385 . 1 1 35 35 ALA CB C 13 20.856 0.400 . 1 . . . . 742 ALA CB . 16396 1 386 . 1 1 35 35 ALA N N 15 121.271 0.400 . 1 . . . . 742 ALA N . 16396 1 387 . 1 1 36 36 LEU HA H 1 4.147 0.020 . 1 . . . . 743 LEU HA . 16396 1 388 . 1 1 36 36 LEU HB2 H 1 1.994 0.020 . 2 . . . . 743 LEU HB2 . 16396 1 389 . 1 1 36 36 LEU HB3 H 1 1.994 0.020 . 2 . . . . 743 LEU HB3 . 16396 1 390 . 1 1 36 36 LEU HG H 1 1.958 0.020 . 1 . . . . 743 LEU HG . 16396 1 391 . 1 1 37 37 LYS HA H 1 4.122 0.020 . 1 . . . . 744 LYS HA . 16396 1 392 . 1 1 37 37 LYS C C 13 178.164 0.400 . 1 . . . . 744 LYS C . 16396 1 393 . 1 1 37 37 LYS CA C 13 56.389 0.400 . 1 . . . . 744 LYS CA . 16396 1 394 . 1 1 38 38 ARG H H 1 8.594 0.020 . 1 . . . . 745 ARG H . 16396 1 395 . 1 1 38 38 ARG HA H 1 4.370 0.020 . 1 . . . . 745 ARG HA . 16396 1 396 . 1 1 38 38 ARG HB2 H 1 1.709 0.020 . 2 . . . . 745 ARG HB2 . 16396 1 397 . 1 1 38 38 ARG HB3 H 1 1.709 0.020 . 2 . . . . 745 ARG HB3 . 16396 1 398 . 1 1 38 38 ARG C C 13 177.994 0.400 . 1 . . . . 745 ARG C . 16396 1 399 . 1 1 38 38 ARG CA C 13 61.196 0.400 . 1 . . . . 745 ARG CA . 16396 1 400 . 1 1 38 38 ARG N N 15 123.453 0.400 . 1 . . . . 745 ARG N . 16396 1 401 . 1 1 39 39 SER H H 1 10.189 0.020 . 1 . . . . 746 SER H . 16396 1 402 . 1 1 39 39 SER HA H 1 4.003 0.020 . 1 . . . . 746 SER HA . 16396 1 403 . 1 1 39 39 SER C C 13 177.538 0.400 . 1 . . . . 746 SER C . 16396 1 404 . 1 1 39 39 SER CA C 13 61.082 0.400 . 1 . . . . 746 SER CA . 16396 1 405 . 1 1 39 39 SER N N 15 113.446 0.400 . 1 . . . . 746 SER N . 16396 1 406 . 1 1 40 40 GLU H H 1 6.933 0.020 . 1 . . . . 747 GLU H . 16396 1 407 . 1 1 40 40 GLU HA H 1 4.336 0.020 . 1 . . . . 747 GLU HA . 16396 1 408 . 1 1 40 40 GLU HB2 H 1 2.221 0.020 . 2 . . . . 747 GLU HB2 . 16396 1 409 . 1 1 40 40 GLU HB3 H 1 2.221 0.020 . 2 . . . . 747 GLU HB3 . 16396 1 410 . 1 1 40 40 GLU HG2 H 1 2.474 0.020 . 2 . . . . 747 GLU HG2 . 16396 1 411 . 1 1 40 40 GLU HG3 H 1 2.474 0.020 . 2 . . . . 747 GLU HG3 . 16396 1 412 . 1 1 40 40 GLU C C 13 179.624 0.400 . 1 . . . . 747 GLU C . 16396 1 413 . 1 1 40 40 GLU CA C 13 58.421 0.400 . 1 . . . . 747 GLU CA . 16396 1 414 . 1 1 40 40 GLU CB C 13 30.159 0.400 . 1 . . . . 747 GLU CB . 16396 1 415 . 1 1 40 40 GLU N N 15 122.082 0.400 . 1 . . . . 747 GLU N . 16396 1 416 . 1 1 41 41 LEU H H 1 8.436 0.020 . 1 . . . . 748 LEU H . 16396 1 417 . 1 1 41 41 LEU HA H 1 4.443 0.020 . 1 . . . . 748 LEU HA . 16396 1 418 . 1 1 41 41 LEU HB2 H 1 1.778 0.020 . 2 . . . . 748 LEU HB2 . 16396 1 419 . 1 1 41 41 LEU HB3 H 1 1.778 0.020 . 2 . . . . 748 LEU HB3 . 16396 1 420 . 1 1 41 41 LEU C C 13 178.013 0.400 . 1 . . . . 748 LEU C . 16396 1 421 . 1 1 41 41 LEU CA C 13 58.251 0.400 . 1 . . . . 748 LEU CA . 16396 1 422 . 1 1 41 41 LEU CB C 13 42.229 0.400 . 1 . . . . 748 LEU CB . 16396 1 423 . 1 1 41 41 LEU N N 15 123.679 0.400 . 1 . . . . 748 LEU N . 16396 1 424 . 1 1 42 42 VAL H H 1 8.339 0.020 . 1 . . . . 749 VAL H . 16396 1 425 . 1 1 42 42 VAL HA H 1 3.585 0.020 . 1 . . . . 749 VAL HA . 16396 1 426 . 1 1 42 42 VAL HB H 1 2.250 0.020 . 1 . . . . 749 VAL HB . 16396 1 427 . 1 1 42 42 VAL HG11 H 1 1.019 0.020 . 2 . . . . 749 VAL HG1 . 16396 1 428 . 1 1 42 42 VAL HG12 H 1 1.019 0.020 . 2 . . . . 749 VAL HG1 . 16396 1 429 . 1 1 42 42 VAL HG13 H 1 1.019 0.020 . 2 . . . . 749 VAL HG1 . 16396 1 430 . 1 1 42 42 VAL HG21 H 1 1.094 0.020 . 2 . . . . 749 VAL HG2 . 16396 1 431 . 1 1 42 42 VAL HG22 H 1 1.094 0.020 . 2 . . . . 749 VAL HG2 . 16396 1 432 . 1 1 42 42 VAL HG23 H 1 1.094 0.020 . 2 . . . . 749 VAL HG2 . 16396 1 433 . 1 1 42 42 VAL C C 13 177.425 0.400 . 1 . . . . 749 VAL C . 16396 1 434 . 1 1 42 42 VAL CA C 13 67.395 0.400 . 1 . . . . 749 VAL CA . 16396 1 435 . 1 1 42 42 VAL CG1 C 13 21.404 0.400 . 1 . . . . 749 VAL CG1 . 16396 1 436 . 1 1 42 42 VAL CG2 C 13 23.434 0.400 . 1 . . . . 749 VAL CG2 . 16396 1 437 . 1 1 42 42 VAL N N 15 118.519 0.400 . 1 . . . . 749 VAL N . 16396 1 438 . 1 1 43 43 ASN H H 1 8.060 0.020 . 1 . . . . 750 ASN H . 16396 1 439 . 1 1 43 43 ASN HA H 1 4.462 0.020 . 1 . . . . 750 ASN HA . 16396 1 440 . 1 1 43 43 ASN HB2 H 1 2.970 0.020 . 2 . . . . 750 ASN HB2 . 16396 1 441 . 1 1 43 43 ASN HB3 H 1 2.864 0.020 . 2 . . . . 750 ASN HB3 . 16396 1 442 . 1 1 43 43 ASN HD21 H 1 7.615 0.020 . 2 . . . . 750 ASN HD21 . 16396 1 443 . 1 1 43 43 ASN HD22 H 1 6.837 0.020 . 2 . . . . 750 ASN HD22 . 16396 1 444 . 1 1 43 43 ASN C C 13 177.779 0.400 . 1 . . . . 750 ASN C . 16396 1 445 . 1 1 43 43 ASN CA C 13 56.459 0.400 . 1 . . . . 750 ASN CA . 16396 1 446 . 1 1 43 43 ASN CB C 13 38.352 0.400 . 1 . . . . 750 ASN CB . 16396 1 447 . 1 1 43 43 ASN N N 15 115.316 0.400 . 1 . . . . 750 ASN N . 16396 1 448 . 1 1 43 43 ASN ND2 N 15 111.040 0.400 . 1 . . . . 750 ASN ND2 . 16396 1 449 . 1 1 44 44 TRP H H 1 8.518 0.020 . 1 . . . . 751 TRP H . 16396 1 450 . 1 1 44 44 TRP HA H 1 4.124 0.020 . 1 . . . . 751 TRP HA . 16396 1 451 . 1 1 44 44 TRP HB2 H 1 3.476 0.020 . 2 . . . . 751 TRP HB2 . 16396 1 452 . 1 1 44 44 TRP HB3 H 1 3.694 0.020 . 2 . . . . 751 TRP HB3 . 16396 1 453 . 1 1 44 44 TRP HD1 H 1 7.197 0.020 . 1 . . . . 751 TRP HD1 . 16396 1 454 . 1 1 44 44 TRP HE1 H 1 9.793 0.020 . 1 . . . . 751 TRP HE1 . 16396 1 455 . 1 1 44 44 TRP HH2 H 1 6.963 0.020 . 1 . . . . 751 TRP HH2 . 16396 1 456 . 1 1 44 44 TRP HZ2 H 1 7.241 0.020 . 1 . . . . 751 TRP HZ2 . 16396 1 457 . 1 1 44 44 TRP C C 13 176.913 0.400 . 1 . . . . 751 TRP C . 16396 1 458 . 1 1 44 44 TRP CA C 13 62.017 0.400 . 1 . . . . 751 TRP CA . 16396 1 459 . 1 1 44 44 TRP CB C 13 27.510 0.400 . 1 . . . . 751 TRP CB . 16396 1 460 . 1 1 44 44 TRP CD1 C 13 126.969 0.400 . 1 . . . . 751 TRP CD1 . 16396 1 461 . 1 1 44 44 TRP CH2 C 13 123.685 0.400 . 1 . . . . 751 TRP CH2 . 16396 1 462 . 1 1 44 44 TRP CZ2 C 13 114.466 0.400 . 1 . . . . 751 TRP CZ2 . 16396 1 463 . 1 1 44 44 TRP N N 15 121.008 0.400 . 1 . . . . 751 TRP N . 16396 1 464 . 1 1 44 44 TRP NE1 N 15 129.553 0.400 . 1 . . . . 751 TRP NE1 . 16396 1 465 . 1 1 45 45 TYR H H 1 8.219 0.020 . 1 . . . . 752 TYR H . 16396 1 466 . 1 1 45 45 TYR HA H 1 4.595 0.020 . 1 . . . . 752 TYR HA . 16396 1 467 . 1 1 45 45 TYR HB2 H 1 3.115 0.020 . 2 . . . . 752 TYR HB2 . 16396 1 468 . 1 1 45 45 TYR HB3 H 1 3.018 0.020 . 2 . . . . 752 TYR HB3 . 16396 1 469 . 1 1 45 45 TYR HD1 H 1 6.755 0.020 . 1 . . . . 752 TYR HD1 . 16396 1 470 . 1 1 45 45 TYR HD2 H 1 6.755 0.020 . 1 . . . . 752 TYR HD2 . 16396 1 471 . 1 1 45 45 TYR HE1 H 1 6.654 0.020 . 1 . . . . 752 TYR HE1 . 16396 1 472 . 1 1 45 45 TYR HE2 H 1 6.654 0.020 . 1 . . . . 752 TYR HE2 . 16396 1 473 . 1 1 45 45 TYR C C 13 176.791 0.400 . 1 . . . . 752 TYR C . 16396 1 474 . 1 1 45 45 TYR CA C 13 61.762 0.400 . 1 . . . . 752 TYR CA . 16396 1 475 . 1 1 45 45 TYR CB C 13 38.794 0.400 . 1 . . . . 752 TYR CB . 16396 1 476 . 1 1 45 45 TYR CD1 C 13 132.213 0.400 . 1 . . . . 752 TYR CD1 . 16396 1 477 . 1 1 45 45 TYR CE1 C 13 118.158 0.400 . 1 . . . . 752 TYR CE1 . 16396 1 478 . 1 1 45 45 TYR N N 15 120.101 0.400 . 1 . . . . 752 TYR N . 16396 1 479 . 1 1 46 46 LEU H H 1 8.109 0.020 . 1 . . . . 753 LEU H . 16396 1 480 . 1 1 46 46 LEU HA H 1 3.719 0.020 . 1 . . . . 753 LEU HA . 16396 1 481 . 1 1 46 46 LEU HD11 H 1 0.903 0.020 . 2 . . . . 753 LEU HD1 . 16396 1 482 . 1 1 46 46 LEU HD12 H 1 0.903 0.020 . 2 . . . . 753 LEU HD1 . 16396 1 483 . 1 1 46 46 LEU HD13 H 1 0.903 0.020 . 2 . . . . 753 LEU HD1 . 16396 1 484 . 1 1 46 46 LEU HD21 H 1 0.810 0.020 . 2 . . . . 753 LEU HD2 . 16396 1 485 . 1 1 46 46 LEU HD22 H 1 0.810 0.020 . 2 . . . . 753 LEU HD2 . 16396 1 486 . 1 1 46 46 LEU HD23 H 1 0.810 0.020 . 2 . . . . 753 LEU HD2 . 16396 1 487 . 1 1 46 46 LEU HG H 1 2.090 0.020 . 1 . . . . 753 LEU HG . 16396 1 488 . 1 1 46 46 LEU C C 13 178.650 0.400 . 1 . . . . 753 LEU C . 16396 1 489 . 1 1 46 46 LEU CA C 13 57.315 0.400 . 1 . . . . 753 LEU CA . 16396 1 490 . 1 1 46 46 LEU CB C 13 41.322 0.400 . 1 . . . . 753 LEU CB . 16396 1 491 . 1 1 46 46 LEU CD1 C 13 26.019 0.400 . 1 . . . . 753 LEU CD1 . 16396 1 492 . 1 1 46 46 LEU CD2 C 13 22.424 0.400 . 1 . . . . 753 LEU CD2 . 16396 1 493 . 1 1 46 46 LEU N N 15 115.046 0.400 . 1 . . . . 753 LEU N . 16396 1 494 . 1 1 47 47 LYS H H 1 7.548 0.020 . 1 . . . . 754 LYS H . 16396 1 495 . 1 1 47 47 LYS HA H 1 4.046 0.020 . 1 . . . . 754 LYS HA . 16396 1 496 . 1 1 47 47 LYS HB2 H 1 1.837 0.020 . 2 . . . . 754 LYS HB2 . 16396 1 497 . 1 1 47 47 LYS HB3 H 1 1.837 0.020 . 2 . . . . 754 LYS HB3 . 16396 1 498 . 1 1 47 47 LYS HD2 H 1 1.661 0.020 . 2 . . . . 754 LYS HD2 . 16396 1 499 . 1 1 47 47 LYS HD3 H 1 1.661 0.020 . 2 . . . . 754 LYS HD3 . 16396 1 500 . 1 1 47 47 LYS HE2 H 1 2.998 0.020 . 2 . . . . 754 LYS HE2 . 16396 1 501 . 1 1 47 47 LYS HE3 H 1 2.998 0.020 . 2 . . . . 754 LYS HE3 . 16396 1 502 . 1 1 47 47 LYS HG2 H 1 1.449 0.020 . 2 . . . . 754 LYS HG2 . 16396 1 503 . 1 1 47 47 LYS HG3 H 1 1.449 0.020 . 2 . . . . 754 LYS HG3 . 16396 1 504 . 1 1 47 47 LYS C C 13 178.993 0.400 . 1 . . . . 754 LYS C . 16396 1 505 . 1 1 47 47 LYS CA C 13 58.133 0.400 . 1 . . . . 754 LYS CA . 16396 1 506 . 1 1 47 47 LYS CB C 13 32.003 0.400 . 1 . . . . 754 LYS CB . 16396 1 507 . 1 1 47 47 LYS CE C 13 42.169 0.400 . 1 . . . . 754 LYS CE . 16396 1 508 . 1 1 47 47 LYS CG C 13 24.932 0.400 . 1 . . . . 754 LYS CG . 16396 1 509 . 1 1 47 47 LYS N N 15 116.456 0.400 . 1 . . . . 754 LYS N . 16396 1 510 . 1 1 48 48 GLU H H 1 7.789 0.020 . 1 . . . . 755 GLU H . 16396 1 511 . 1 1 48 48 GLU HA H 1 3.848 0.020 . 1 . . . . 755 GLU HA . 16396 1 512 . 1 1 48 48 GLU HB2 H 1 1.456 0.020 . 2 . . . . 755 GLU HB2 . 16396 1 513 . 1 1 48 48 GLU HB3 H 1 1.456 0.020 . 2 . . . . 755 GLU HB3 . 16396 1 514 . 1 1 48 48 GLU HG2 H 1 1.560 0.020 . 2 . . . . 755 GLU HG2 . 16396 1 515 . 1 1 48 48 GLU HG3 H 1 1.560 0.020 . 2 . . . . 755 GLU HG3 . 16396 1 516 . 1 1 48 48 GLU CA C 13 58.143 0.400 . 1 . . . . 755 GLU CA . 16396 1 517 . 1 1 48 48 GLU CB C 13 29.008 0.400 . 1 . . . . 755 GLU CB . 16396 1 518 . 1 1 48 48 GLU CG C 13 35.320 0.400 . 1 . . . . 755 GLU CG . 16396 1 519 . 1 1 48 48 GLU N N 15 119.436 0.400 . 1 . . . . 755 GLU N . 16396 1 520 . 1 1 49 49 ILE H H 1 7.094 0.020 . 1 . . . . 756 ILE H . 16396 1 521 . 1 1 49 49 ILE HA H 1 4.275 0.020 . 1 . . . . 756 ILE HA . 16396 1 522 . 1 1 49 49 ILE HB H 1 1.802 0.020 . 1 . . . . 756 ILE HB . 16396 1 523 . 1 1 49 49 ILE HD11 H 1 0.640 0.020 . 1 . . . . 756 ILE HD1 . 16396 1 524 . 1 1 49 49 ILE HD12 H 1 0.640 0.020 . 1 . . . . 756 ILE HD1 . 16396 1 525 . 1 1 49 49 ILE HD13 H 1 0.640 0.020 . 1 . . . . 756 ILE HD1 . 16396 1 526 . 1 1 49 49 ILE HG21 H 1 0.467 0.020 . 1 . . . . 756 ILE HG2 . 16396 1 527 . 1 1 49 49 ILE HG22 H 1 0.467 0.020 . 1 . . . . 756 ILE HG2 . 16396 1 528 . 1 1 49 49 ILE HG23 H 1 0.467 0.020 . 1 . . . . 756 ILE HG2 . 16396 1 529 . 1 1 49 49 ILE C C 13 177.121 0.400 . 1 . . . . 756 ILE C . 16396 1 530 . 1 1 49 49 ILE CA C 13 60.409 0.400 . 1 . . . . 756 ILE CA . 16396 1 531 . 1 1 49 49 ILE CB C 13 37.080 0.400 . 1 . . . . 756 ILE CB . 16396 1 532 . 1 1 49 49 ILE CD1 C 13 14.180 0.400 . 1 . . . . 756 ILE CD1 . 16396 1 533 . 1 1 49 49 ILE CG2 C 13 17.833 0.400 . 1 . . . . 756 ILE CG2 . 16396 1 534 . 1 1 49 49 ILE N N 15 110.858 0.400 . 1 . . . . 756 ILE N . 16396 1 535 . 1 1 50 50 GLU H H 1 7.140 0.020 . 1 . . . . 757 GLU H . 16396 1 536 . 1 1 50 50 GLU HA H 1 4.013 0.020 . 1 . . . . 757 GLU HA . 16396 1 537 . 1 1 50 50 GLU HB2 H 1 2.136 0.020 . 2 . . . . 757 GLU HB2 . 16396 1 538 . 1 1 50 50 GLU HB3 H 1 2.136 0.020 . 2 . . . . 757 GLU HB3 . 16396 1 539 . 1 1 50 50 GLU HG2 H 1 2.234 0.020 . 2 . . . . 757 GLU HG2 . 16396 1 540 . 1 1 50 50 GLU HG3 H 1 2.234 0.020 . 2 . . . . 757 GLU HG3 . 16396 1 541 . 1 1 50 50 GLU C C 13 177.440 0.400 . 1 . . . . 757 GLU C . 16396 1 542 . 1 1 50 50 GLU CA C 13 58.957 0.400 . 1 . . . . 757 GLU CA . 16396 1 543 . 1 1 50 50 GLU CB C 13 29.393 0.400 . 1 . . . . 757 GLU CB . 16396 1 544 . 1 1 50 50 GLU N N 15 121.108 0.400 . 1 . . . . 757 GLU N . 16396 1 545 . 1 1 51 51 SER H H 1 8.114 0.020 . 1 . . . . 758 SER H . 16396 1 546 . 1 1 51 51 SER HA H 1 4.268 0.020 . 1 . . . . 758 SER HA . 16396 1 547 . 1 1 51 51 SER HB2 H 1 3.861 0.020 . 2 . . . . 758 SER HB2 . 16396 1 548 . 1 1 51 51 SER HB3 H 1 3.955 0.020 . 2 . . . . 758 SER HB3 . 16396 1 549 . 1 1 51 51 SER C C 13 175.305 0.400 . 1 . . . . 758 SER C . 16396 1 550 . 1 1 51 51 SER CA C 13 60.154 0.400 . 1 . . . . 758 SER CA . 16396 1 551 . 1 1 51 51 SER CB C 13 63.161 0.400 . 1 . . . . 758 SER CB . 16396 1 552 . 1 1 51 51 SER N N 15 112.270 0.400 . 1 . . . . 758 SER N . 16396 1 553 . 1 1 52 52 GLU H H 1 8.255 0.020 . 1 . . . . 759 GLU H . 16396 1 554 . 1 1 52 52 GLU HA H 1 4.381 0.020 . 1 . . . . 759 GLU HA . 16396 1 555 . 1 1 52 52 GLU HB2 H 1 1.989 0.020 . 2 . . . . 759 GLU HB2 . 16396 1 556 . 1 1 52 52 GLU HB3 H 1 1.989 0.020 . 2 . . . . 759 GLU HB3 . 16396 1 557 . 1 1 52 52 GLU HG2 H 1 2.212 0.020 . 2 . . . . 759 GLU HG2 . 16396 1 558 . 1 1 52 52 GLU HG3 H 1 2.212 0.020 . 2 . . . . 759 GLU HG3 . 16396 1 559 . 1 1 52 52 GLU C C 13 175.986 0.400 . 1 . . . . 759 GLU C . 16396 1 560 . 1 1 52 52 GLU CA C 13 56.167 0.400 . 1 . . . . 759 GLU CA . 16396 1 561 . 1 1 52 52 GLU CB C 13 30.223 0.400 . 1 . . . . 759 GLU CB . 16396 1 562 . 1 1 52 52 GLU CG C 13 36.450 0.400 . 1 . . . . 759 GLU CG . 16396 1 563 . 1 1 52 52 GLU N N 15 119.072 0.400 . 1 . . . . 759 GLU N . 16396 1 564 . 1 1 53 53 ILE H H 1 7.479 0.020 . 1 . . . . 760 ILE H . 16396 1 565 . 1 1 53 53 ILE HA H 1 4.112 0.020 . 1 . . . . 760 ILE HA . 16396 1 566 . 1 1 53 53 ILE HB H 1 1.969 0.020 . 1 . . . . 760 ILE HB . 16396 1 567 . 1 1 53 53 ILE HD11 H 1 0.837 0.020 . 1 . . . . 760 ILE HD1 . 16396 1 568 . 1 1 53 53 ILE HD12 H 1 0.837 0.020 . 1 . . . . 760 ILE HD1 . 16396 1 569 . 1 1 53 53 ILE HD13 H 1 0.837 0.020 . 1 . . . . 760 ILE HD1 . 16396 1 570 . 1 1 53 53 ILE HG12 H 1 1.632 0.020 . 2 . . . . 760 ILE HG12 . 16396 1 571 . 1 1 53 53 ILE HG13 H 1 1.010 0.020 . 2 . . . . 760 ILE HG13 . 16396 1 572 . 1 1 53 53 ILE HG21 H 1 0.935 0.020 . 1 . . . . 760 ILE HG2 . 16396 1 573 . 1 1 53 53 ILE HG22 H 1 0.935 0.020 . 1 . . . . 760 ILE HG2 . 16396 1 574 . 1 1 53 53 ILE HG23 H 1 0.935 0.020 . 1 . . . . 760 ILE HG2 . 16396 1 575 . 1 1 53 53 ILE C C 13 175.668 0.400 . 1 . . . . 760 ILE C . 16396 1 576 . 1 1 53 53 ILE CA C 13 61.264 0.400 . 1 . . . . 760 ILE CA . 16396 1 577 . 1 1 53 53 ILE CB C 13 38.658 0.400 . 1 . . . . 760 ILE CB . 16396 1 578 . 1 1 53 53 ILE CD1 C 13 13.625 0.400 . 1 . . . . 760 ILE CD1 . 16396 1 579 . 1 1 53 53 ILE CG2 C 13 19.051 0.400 . 1 . . . . 760 ILE CG2 . 16396 1 580 . 1 1 53 53 ILE N N 15 118.998 0.400 . 1 . . . . 760 ILE N . 16396 1 581 . 1 1 54 54 ASP H H 1 8.590 0.020 . 1 . . . . 761 ASP H . 16396 1 582 . 1 1 54 54 ASP HA H 1 4.824 0.020 . 1 . . . . 761 ASP HA . 16396 1 583 . 1 1 54 54 ASP HB2 H 1 2.697 0.020 . 2 . . . . 761 ASP HB2 . 16396 1 584 . 1 1 54 54 ASP HB3 H 1 2.771 0.020 . 2 . . . . 761 ASP HB3 . 16396 1 585 . 1 1 54 54 ASP C C 13 175.703 0.400 . 1 . . . . 761 ASP C . 16396 1 586 . 1 1 54 54 ASP CA C 13 54.364 0.400 . 1 . . . . 761 ASP CA . 16396 1 587 . 1 1 54 54 ASP CB C 13 42.314 0.400 . 1 . . . . 761 ASP CB . 16396 1 588 . 1 1 54 54 ASP N N 15 123.973 0.400 . 1 . . . . 761 ASP N . 16396 1 589 . 1 1 55 55 SER H H 1 7.556 0.020 . 1 . . . . 762 SER H . 16396 1 590 . 1 1 55 55 SER HA H 1 4.775 0.020 . 1 . . . . 762 SER HA . 16396 1 591 . 1 1 55 55 SER HB2 H 1 4.260 0.020 . 2 . . . . 762 SER HB2 . 16396 1 592 . 1 1 55 55 SER HB3 H 1 4.036 0.020 . 2 . . . . 762 SER HB3 . 16396 1 593 . 1 1 55 55 SER C C 13 174.526 0.400 . 1 . . . . 762 SER C . 16396 1 594 . 1 1 55 55 SER CA C 13 57.196 0.400 . 1 . . . . 762 SER CA . 16396 1 595 . 1 1 55 55 SER CB C 13 65.960 0.400 . 1 . . . . 762 SER CB . 16396 1 596 . 1 1 55 55 SER N N 15 111.192 0.400 . 1 . . . . 762 SER N . 16396 1 597 . 1 1 56 56 GLU H H 1 9.017 0.020 . 1 . . . . 763 GLU H . 16396 1 598 . 1 1 56 56 GLU HA H 1 4.082 0.020 . 1 . . . . 763 GLU HA . 16396 1 599 . 1 1 56 56 GLU HB2 H 1 2.109 0.020 . 2 . . . . 763 GLU HB2 . 16396 1 600 . 1 1 56 56 GLU HB3 H 1 2.109 0.020 . 2 . . . . 763 GLU HB3 . 16396 1 601 . 1 1 56 56 GLU HG2 H 1 2.364 0.020 . 2 . . . . 763 GLU HG2 . 16396 1 602 . 1 1 56 56 GLU HG3 H 1 2.364 0.020 . 2 . . . . 763 GLU HG3 . 16396 1 603 . 1 1 56 56 GLU C C 13 178.283 0.400 . 1 . . . . 763 GLU C . 16396 1 604 . 1 1 56 56 GLU CA C 13 59.542 0.400 . 1 . . . . 763 GLU CA . 16396 1 605 . 1 1 56 56 GLU CB C 13 29.550 0.400 . 1 . . . . 763 GLU CB . 16396 1 606 . 1 1 56 56 GLU N N 15 123.031 0.400 . 1 . . . . 763 GLU N . 16396 1 607 . 1 1 57 57 GLU H H 1 8.581 0.020 . 1 . . . . 764 GLU H . 16396 1 608 . 1 1 57 57 GLU HA H 1 4.023 0.020 . 1 . . . . 764 GLU HA . 16396 1 609 . 1 1 57 57 GLU HB2 H 1 2.012 0.020 . 2 . . . . 764 GLU HB2 . 16396 1 610 . 1 1 57 57 GLU HB3 H 1 2.114 0.020 . 2 . . . . 764 GLU HB3 . 16396 1 611 . 1 1 57 57 GLU HG2 H 1 2.360 0.020 . 2 . . . . 764 GLU HG2 . 16396 1 612 . 1 1 57 57 GLU HG3 H 1 2.360 0.020 . 2 . . . . 764 GLU HG3 . 16396 1 613 . 1 1 57 57 GLU C C 13 178.849 0.400 . 1 . . . . 764 GLU C . 16396 1 614 . 1 1 57 57 GLU CA C 13 59.948 0.400 . 1 . . . . 764 GLU CA . 16396 1 615 . 1 1 57 57 GLU CB C 13 29.403 0.400 . 1 . . . . 764 GLU CB . 16396 1 616 . 1 1 57 57 GLU CG C 13 36.752 0.400 . 1 . . . . 764 GLU CG . 16396 1 617 . 1 1 57 57 GLU N N 15 117.914 0.400 . 1 . . . . 764 GLU N . 16396 1 618 . 1 1 58 58 GLU H H 1 7.795 0.020 . 1 . . . . 765 GLU H . 16396 1 619 . 1 1 58 58 GLU HA H 1 4.290 0.020 . 1 . . . . 765 GLU HA . 16396 1 620 . 1 1 58 58 GLU HB2 H 1 2.125 0.020 . 2 . . . . 765 GLU HB2 . 16396 1 621 . 1 1 58 58 GLU HB3 H 1 2.125 0.020 . 2 . . . . 765 GLU HB3 . 16396 1 622 . 1 1 58 58 GLU HG2 H 1 2.333 0.020 . 2 . . . . 765 GLU HG2 . 16396 1 623 . 1 1 58 58 GLU HG3 H 1 2.448 0.020 . 2 . . . . 765 GLU HG3 . 16396 1 624 . 1 1 58 58 GLU C C 13 178.349 0.400 . 1 . . . . 765 GLU C . 16396 1 625 . 1 1 58 58 GLU CA C 13 58.628 0.400 . 1 . . . . 765 GLU CA . 16396 1 626 . 1 1 58 58 GLU CB C 13 30.075 0.400 . 1 . . . . 765 GLU CB . 16396 1 627 . 1 1 58 58 GLU CG C 13 36.707 0.400 . 1 . . . . 765 GLU CG . 16396 1 628 . 1 1 58 58 GLU N N 15 118.635 0.400 . 1 . . . . 765 GLU N . 16396 1 629 . 1 1 59 59 LEU H H 1 7.859 0.020 . 1 . . . . 766 LEU H . 16396 1 630 . 1 1 59 59 LEU HA H 1 3.975 0.020 . 1 . . . . 766 LEU HA . 16396 1 631 . 1 1 59 59 LEU HB2 H 1 1.686 0.020 . 2 . . . . 766 LEU HB2 . 16396 1 632 . 1 1 59 59 LEU HB3 H 1 1.686 0.020 . 2 . . . . 766 LEU HB3 . 16396 1 633 . 1 1 59 59 LEU HD11 H 1 0.970 0.020 . 2 . . . . 766 LEU HD1 . 16396 1 634 . 1 1 59 59 LEU HD12 H 1 0.970 0.020 . 2 . . . . 766 LEU HD1 . 16396 1 635 . 1 1 59 59 LEU HD13 H 1 0.970 0.020 . 2 . . . . 766 LEU HD1 . 16396 1 636 . 1 1 59 59 LEU HD21 H 1 0.970 0.020 . 2 . . . . 766 LEU HD2 . 16396 1 637 . 1 1 59 59 LEU HD22 H 1 0.970 0.020 . 2 . . . . 766 LEU HD2 . 16396 1 638 . 1 1 59 59 LEU HD23 H 1 0.970 0.020 . 2 . . . . 766 LEU HD2 . 16396 1 639 . 1 1 59 59 LEU HG H 1 1.685 0.020 . 1 . . . . 766 LEU HG . 16396 1 640 . 1 1 59 59 LEU C C 13 178.333 0.400 . 1 . . . . 766 LEU C . 16396 1 641 . 1 1 59 59 LEU CA C 13 59.058 0.400 . 1 . . . . 766 LEU CA . 16396 1 642 . 1 1 59 59 LEU CB C 13 41.598 0.400 . 1 . . . . 766 LEU CB . 16396 1 643 . 1 1 59 59 LEU CD1 C 13 25.211 0.400 . 1 . . . . 766 LEU CD1 . 16396 1 644 . 1 1 59 59 LEU N N 15 121.470 0.400 . 1 . . . . 766 LEU N . 16396 1 645 . 1 1 60 60 ILE H H 1 8.011 0.020 . 1 . . . . 767 ILE H . 16396 1 646 . 1 1 60 60 ILE HA H 1 3.700 0.020 . 1 . . . . 767 ILE HA . 16396 1 647 . 1 1 60 60 ILE HB H 1 2.009 0.020 . 1 . . . . 767 ILE HB . 16396 1 648 . 1 1 60 60 ILE HD11 H 1 0.897 0.020 . 1 . . . . 767 ILE HD1 . 16396 1 649 . 1 1 60 60 ILE HD12 H 1 0.897 0.020 . 1 . . . . 767 ILE HD1 . 16396 1 650 . 1 1 60 60 ILE HD13 H 1 0.897 0.020 . 1 . . . . 767 ILE HD1 . 16396 1 651 . 1 1 60 60 ILE HG12 H 1 1.333 0.020 . 2 . . . . 767 ILE HG12 . 16396 1 652 . 1 1 60 60 ILE HG13 H 1 1.738 0.020 . 2 . . . . 767 ILE HG13 . 16396 1 653 . 1 1 60 60 ILE HG21 H 1 0.973 0.020 . 1 . . . . 767 ILE HG2 . 16396 1 654 . 1 1 60 60 ILE HG22 H 1 0.973 0.020 . 1 . . . . 767 ILE HG2 . 16396 1 655 . 1 1 60 60 ILE HG23 H 1 0.973 0.020 . 1 . . . . 767 ILE HG2 . 16396 1 656 . 1 1 60 60 ILE C C 13 178.556 0.400 . 1 . . . . 767 ILE C . 16396 1 657 . 1 1 60 60 ILE CA C 13 64.525 0.400 . 1 . . . . 767 ILE CA . 16396 1 658 . 1 1 60 60 ILE CB C 13 37.709 0.400 . 1 . . . . 767 ILE CB . 16396 1 659 . 1 1 60 60 ILE CD1 C 13 12.723 0.400 . 1 . . . . 767 ILE CD1 . 16396 1 660 . 1 1 60 60 ILE CG2 C 13 17.397 0.400 . 1 . . . . 767 ILE CG2 . 16396 1 661 . 1 1 60 60 ILE N N 15 117.568 0.400 . 1 . . . . 767 ILE N . 16396 1 662 . 1 1 61 61 ASN H H 1 7.832 0.020 . 1 . . . . 768 ASN H . 16396 1 663 . 1 1 61 61 ASN HA H 1 4.514 0.020 . 1 . . . . 768 ASN HA . 16396 1 664 . 1 1 61 61 ASN HB2 H 1 2.906 0.020 . 2 . . . . 768 ASN HB2 . 16396 1 665 . 1 1 61 61 ASN HB3 H 1 2.994 0.020 . 2 . . . . 768 ASN HB3 . 16396 1 666 . 1 1 61 61 ASN HD21 H 1 7.700 0.020 . 2 . . . . 768 ASN HD21 . 16396 1 667 . 1 1 61 61 ASN HD22 H 1 6.947 0.020 . 2 . . . . 768 ASN HD22 . 16396 1 668 . 1 1 61 61 ASN C C 13 177.935 0.400 . 1 . . . . 768 ASN C . 16396 1 669 . 1 1 61 61 ASN CA C 13 56.576 0.400 . 1 . . . . 768 ASN CA . 16396 1 670 . 1 1 61 61 ASN CB C 13 38.598 0.400 . 1 . . . . 768 ASN CB . 16396 1 671 . 1 1 61 61 ASN N N 15 117.974 0.400 . 1 . . . . 768 ASN N . 16396 1 672 . 1 1 61 61 ASN ND2 N 15 112.208 0.400 . 1 . . . . 768 ASN ND2 . 16396 1 673 . 1 1 62 62 LYS H H 1 8.577 0.020 . 1 . . . . 769 LYS H . 16396 1 674 . 1 1 62 62 LYS HA H 1 4.105 0.020 . 1 . . . . 769 LYS HA . 16396 1 675 . 1 1 62 62 LYS HB2 H 1 1.762 0.020 . 2 . . . . 769 LYS HB2 . 16396 1 676 . 1 1 62 62 LYS HB3 H 1 1.762 0.020 . 2 . . . . 769 LYS HB3 . 16396 1 677 . 1 1 62 62 LYS HD2 H 1 1.723 0.020 . 2 . . . . 769 LYS HD2 . 16396 1 678 . 1 1 62 62 LYS HD3 H 1 1.723 0.020 . 2 . . . . 769 LYS HD3 . 16396 1 679 . 1 1 62 62 LYS HE2 H 1 2.993 0.020 . 2 . . . . 769 LYS HE2 . 16396 1 680 . 1 1 62 62 LYS HE3 H 1 2.907 0.020 . 2 . . . . 769 LYS HE3 . 16396 1 681 . 1 1 62 62 LYS C C 13 178.689 0.400 . 1 . . . . 769 LYS C . 16396 1 682 . 1 1 62 62 LYS CA C 13 58.605 0.400 . 1 . . . . 769 LYS CA . 16396 1 683 . 1 1 62 62 LYS CB C 13 32.026 0.400 . 1 . . . . 769 LYS CB . 16396 1 684 . 1 1 62 62 LYS CD C 13 29.059 0.400 . 1 . . . . 769 LYS CD . 16396 1 685 . 1 1 62 62 LYS N N 15 118.093 0.400 . 1 . . . . 769 LYS N . 16396 1 686 . 1 1 63 63 LYS H H 1 8.652 0.020 . 1 . . . . 770 LYS H . 16396 1 687 . 1 1 63 63 LYS HA H 1 3.931 0.020 . 1 . . . . 770 LYS HA . 16396 1 688 . 1 1 63 63 LYS HB2 H 1 2.136 0.020 . 2 . . . . 770 LYS HB2 . 16396 1 689 . 1 1 63 63 LYS HB3 H 1 2.136 0.020 . 2 . . . . 770 LYS HB3 . 16396 1 690 . 1 1 63 63 LYS HE2 H 1 2.944 0.020 . 2 . . . . 770 LYS HE2 . 16396 1 691 . 1 1 63 63 LYS HE3 H 1 2.944 0.020 . 2 . . . . 770 LYS HE3 . 16396 1 692 . 1 1 63 63 LYS C C 13 177.499 0.400 . 1 . . . . 770 LYS C . 16396 1 693 . 1 1 63 63 LYS CA C 13 60.358 0.400 . 1 . . . . 770 LYS CA . 16396 1 694 . 1 1 63 63 LYS CB C 13 32.837 0.400 . 1 . . . . 770 LYS CB . 16396 1 695 . 1 1 63 63 LYS CE C 13 42.063 0.400 . 1 . . . . 770 LYS CE . 16396 1 696 . 1 1 63 63 LYS N N 15 120.300 0.400 . 1 . . . . 770 LYS N . 16396 1 697 . 1 1 64 64 ARG H H 1 7.965 0.020 . 1 . . . . 771 ARG H . 16396 1 698 . 1 1 64 64 ARG HA H 1 4.178 0.020 . 1 . . . . 771 ARG HA . 16396 1 699 . 1 1 64 64 ARG C C 13 179.823 0.400 . 1 . . . . 771 ARG C . 16396 1 700 . 1 1 64 64 ARG CA C 13 59.334 0.400 . 1 . . . . 771 ARG CA . 16396 1 701 . 1 1 64 64 ARG CB C 13 30.292 0.400 . 1 . . . . 771 ARG CB . 16396 1 702 . 1 1 64 64 ARG N N 15 116.385 0.400 . 1 . . . . 771 ARG N . 16396 1 703 . 1 1 65 65 ILE H H 1 7.895 0.020 . 1 . . . . 772 ILE H . 16396 1 704 . 1 1 65 65 ILE HA H 1 3.744 0.020 . 1 . . . . 772 ILE HA . 16396 1 705 . 1 1 65 65 ILE HB H 1 1.684 0.020 . 1 . . . . 772 ILE HB . 16396 1 706 . 1 1 65 65 ILE HD11 H 1 0.800 0.020 . 1 . . . . 772 ILE HD1 . 16396 1 707 . 1 1 65 65 ILE HD12 H 1 0.800 0.020 . 1 . . . . 772 ILE HD1 . 16396 1 708 . 1 1 65 65 ILE HD13 H 1 0.800 0.020 . 1 . . . . 772 ILE HD1 . 16396 1 709 . 1 1 65 65 ILE HG21 H 1 0.668 0.020 . 1 . . . . 772 ILE HG2 . 16396 1 710 . 1 1 65 65 ILE HG22 H 1 0.668 0.020 . 1 . . . . 772 ILE HG2 . 16396 1 711 . 1 1 65 65 ILE HG23 H 1 0.668 0.020 . 1 . . . . 772 ILE HG2 . 16396 1 712 . 1 1 65 65 ILE CA C 13 65.258 0.400 . 1 . . . . 772 ILE CA . 16396 1 713 . 1 1 65 65 ILE CB C 13 37.850 0.400 . 1 . . . . 772 ILE CB . 16396 1 714 . 1 1 65 65 ILE CD1 C 13 14.084 0.400 . 1 . . . . 772 ILE CD1 . 16396 1 715 . 1 1 65 65 ILE CG2 C 13 18.208 0.400 . 1 . . . . 772 ILE CG2 . 16396 1 716 . 1 1 65 65 ILE N N 15 118.580 0.400 . 1 . . . . 772 ILE N . 16396 1 717 . 1 1 66 66 ILE H H 1 8.332 0.020 . 1 . . . . 773 ILE H . 16396 1 718 . 1 1 66 66 ILE HA H 1 3.901 0.020 . 1 . . . . 773 ILE HA . 16396 1 719 . 1 1 66 66 ILE HB H 1 1.762 0.020 . 1 . . . . 773 ILE HB . 16396 1 720 . 1 1 66 66 ILE HD11 H 1 0.419 0.020 . 1 . . . . 773 ILE HD1 . 16396 1 721 . 1 1 66 66 ILE HD12 H 1 0.419 0.020 . 1 . . . . 773 ILE HD1 . 16396 1 722 . 1 1 66 66 ILE HD13 H 1 0.419 0.020 . 1 . . . . 773 ILE HD1 . 16396 1 723 . 1 1 66 66 ILE HG12 H 1 1.163 0.020 . 2 . . . . 773 ILE HG12 . 16396 1 724 . 1 1 66 66 ILE HG13 H 1 1.325 0.020 . 2 . . . . 773 ILE HG13 . 16396 1 725 . 1 1 66 66 ILE HG21 H 1 1.207 0.020 . 1 . . . . 773 ILE HG2 . 16396 1 726 . 1 1 66 66 ILE HG22 H 1 1.207 0.020 . 1 . . . . 773 ILE HG2 . 16396 1 727 . 1 1 66 66 ILE HG23 H 1 1.207 0.020 . 1 . . . . 773 ILE HG2 . 16396 1 728 . 1 1 66 66 ILE C C 13 177.690 0.400 . 1 . . . . 773 ILE C . 16396 1 729 . 1 1 66 66 ILE CA C 13 62.723 0.400 . 1 . . . . 773 ILE CA . 16396 1 730 . 1 1 66 66 ILE CB C 13 37.261 0.400 . 1 . . . . 773 ILE CB . 16396 1 731 . 1 1 66 66 ILE CD1 C 13 13.768 0.400 . 1 . . . . 773 ILE CD1 . 16396 1 732 . 1 1 66 66 ILE CG2 C 13 20.259 0.400 . 1 . . . . 773 ILE CG2 . 16396 1 733 . 1 1 66 66 ILE N N 15 118.514 0.400 . 1 . . . . 773 ILE N . 16396 1 734 . 1 1 67 67 GLU H H 1 8.350 0.020 . 1 . . . . 774 GLU H . 16396 1 735 . 1 1 67 67 GLU HA H 1 3.877 0.020 . 1 . . . . 774 GLU HA . 16396 1 736 . 1 1 67 67 GLU HB2 H 1 2.151 0.020 . 2 . . . . 774 GLU HB2 . 16396 1 737 . 1 1 67 67 GLU HB3 H 1 2.151 0.020 . 2 . . . . 774 GLU HB3 . 16396 1 738 . 1 1 67 67 GLU HG2 H 1 2.292 0.020 . 2 . . . . 774 GLU HG2 . 16396 1 739 . 1 1 67 67 GLU HG3 H 1 2.292 0.020 . 2 . . . . 774 GLU HG3 . 16396 1 740 . 1 1 67 67 GLU C C 13 179.863 0.400 . 1 . . . . 774 GLU C . 16396 1 741 . 1 1 67 67 GLU CA C 13 60.728 0.400 . 1 . . . . 774 GLU CA . 16396 1 742 . 1 1 67 67 GLU CB C 13 29.448 0.400 . 1 . . . . 774 GLU CB . 16396 1 743 . 1 1 67 67 GLU N N 15 120.531 0.400 . 1 . . . . 774 GLU N . 16396 1 744 . 1 1 68 68 LYS H H 1 8.019 0.020 . 1 . . . . 775 LYS H . 16396 1 745 . 1 1 68 68 LYS HA H 1 4.256 0.020 . 1 . . . . 775 LYS HA . 16396 1 746 . 1 1 68 68 LYS HB2 H 1 2.154 0.020 . 2 . . . . 775 LYS HB2 . 16396 1 747 . 1 1 68 68 LYS HB3 H 1 2.154 0.020 . 2 . . . . 775 LYS HB3 . 16396 1 748 . 1 1 68 68 LYS HE2 H 1 3.006 0.020 . 2 . . . . 775 LYS HE2 . 16396 1 749 . 1 1 68 68 LYS HE3 H 1 3.006 0.020 . 2 . . . . 775 LYS HE3 . 16396 1 750 . 1 1 68 68 LYS HG2 H 1 1.725 0.020 . 2 . . . . 775 LYS HG2 . 16396 1 751 . 1 1 68 68 LYS HG3 H 1 1.725 0.020 . 2 . . . . 775 LYS HG3 . 16396 1 752 . 1 1 68 68 LYS C C 13 179.517 0.400 . 1 . . . . 775 LYS C . 16396 1 753 . 1 1 68 68 LYS CA C 13 59.631 0.400 . 1 . . . . 775 LYS CA . 16396 1 754 . 1 1 68 68 LYS CB C 13 32.296 0.400 . 1 . . . . 775 LYS CB . 16396 1 755 . 1 1 68 68 LYS CE C 13 42.129 0.400 . 1 . . . . 775 LYS CE . 16396 1 756 . 1 1 68 68 LYS N N 15 120.742 0.400 . 1 . . . . 775 LYS N . 16396 1 757 . 1 1 69 69 VAL H H 1 8.642 0.020 . 1 . . . . 776 VAL H . 16396 1 758 . 1 1 69 69 VAL HA H 1 3.735 0.020 . 1 . . . . 776 VAL HA . 16396 1 759 . 1 1 69 69 VAL HB H 1 1.176 0.020 . 1 . . . . 776 VAL HB . 16396 1 760 . 1 1 69 69 VAL HG11 H 1 0.843 0.020 . 2 . . . . 776 VAL HG1 . 16396 1 761 . 1 1 69 69 VAL HG12 H 1 0.843 0.020 . 2 . . . . 776 VAL HG1 . 16396 1 762 . 1 1 69 69 VAL HG13 H 1 0.843 0.020 . 2 . . . . 776 VAL HG1 . 16396 1 763 . 1 1 69 69 VAL HG21 H 1 1.164 0.020 . 2 . . . . 776 VAL HG2 . 16396 1 764 . 1 1 69 69 VAL HG22 H 1 1.164 0.020 . 2 . . . . 776 VAL HG2 . 16396 1 765 . 1 1 69 69 VAL HG23 H 1 1.164 0.020 . 2 . . . . 776 VAL HG2 . 16396 1 766 . 1 1 69 69 VAL C C 13 177.756 0.400 . 1 . . . . 776 VAL C . 16396 1 767 . 1 1 69 69 VAL CA C 13 67.502 0.400 . 1 . . . . 776 VAL CA . 16396 1 768 . 1 1 69 69 VAL CB C 13 31.894 0.400 . 1 . . . . 776 VAL CB . 16396 1 769 . 1 1 69 69 VAL CG1 C 13 21.153 0.400 . 1 . . . . 776 VAL CG1 . 16396 1 770 . 1 1 69 69 VAL CG2 C 13 23.935 0.400 . 1 . . . . 776 VAL CG2 . 16396 1 771 . 1 1 69 69 VAL N N 15 121.301 0.400 . 1 . . . . 776 VAL N . 16396 1 772 . 1 1 70 70 ILE HA H 1 3.493 0.020 . 1 . . . . 777 ILE HA . 16396 1 773 . 1 1 70 70 ILE HB H 1 1.919 0.020 . 1 . . . . 777 ILE HB . 16396 1 774 . 1 1 70 70 ILE HD11 H 1 0.804 0.020 . 1 . . . . 777 ILE HD1 . 16396 1 775 . 1 1 70 70 ILE HD12 H 1 0.804 0.020 . 1 . . . . 777 ILE HD1 . 16396 1 776 . 1 1 70 70 ILE HD13 H 1 0.804 0.020 . 1 . . . . 777 ILE HD1 . 16396 1 777 . 1 1 70 70 ILE HG12 H 1 1.878 0.020 . 2 . . . . 777 ILE HG12 . 16396 1 778 . 1 1 70 70 ILE HG13 H 1 1.878 0.020 . 2 . . . . 777 ILE HG13 . 16396 1 779 . 1 1 70 70 ILE HG21 H 1 0.848 0.020 . 1 . . . . 777 ILE HG2 . 16396 1 780 . 1 1 70 70 ILE HG22 H 1 0.848 0.020 . 1 . . . . 777 ILE HG2 . 16396 1 781 . 1 1 70 70 ILE HG23 H 1 0.848 0.020 . 1 . . . . 777 ILE HG2 . 16396 1 782 . 1 1 70 70 ILE C C 13 178.359 0.400 . 1 . . . . 777 ILE C . 16396 1 783 . 1 1 70 70 ILE CA C 13 66.150 0.400 . 1 . . . . 777 ILE CA . 16396 1 784 . 1 1 70 70 ILE CD1 C 13 15.322 0.400 . 1 . . . . 777 ILE CD1 . 16396 1 785 . 1 1 70 70 ILE CG2 C 13 17.882 0.400 . 1 . . . . 777 ILE CG2 . 16396 1 786 . 1 1 71 71 HIS H H 1 8.371 0.020 . 1 . . . . 778 HIS H . 16396 1 787 . 1 1 71 71 HIS HA H 1 4.434 0.020 . 1 . . . . 778 HIS HA . 16396 1 788 . 1 1 71 71 HIS HB2 H 1 3.359 0.020 . 2 . . . . 778 HIS HB2 . 16396 1 789 . 1 1 71 71 HIS HB3 H 1 3.469 0.020 . 2 . . . . 778 HIS HB3 . 16396 1 790 . 1 1 71 71 HIS HD1 H 1 7.105 0.020 . 1 . . . . 778 HIS HD1 . 16396 1 791 . 1 1 71 71 HIS HD2 H 1 7.111 0.020 . 1 . . . . 778 HIS HD2 . 16396 1 792 . 1 1 71 71 HIS HE1 H 1 7.709 0.020 . 1 . . . . 778 HIS HE1 . 16396 1 793 . 1 1 71 71 HIS C C 13 177.731 0.400 . 1 . . . . 778 HIS C . 16396 1 794 . 1 1 71 71 HIS CA C 13 61.126 0.400 . 1 . . . . 778 HIS CA . 16396 1 795 . 1 1 71 71 HIS CB C 13 30.587 0.400 . 1 . . . . 778 HIS CB . 16396 1 796 . 1 1 71 71 HIS CD2 C 13 119.624 0.400 . 1 . . . . 778 HIS CD2 . 16396 1 797 . 1 1 71 71 HIS CE1 C 13 138.389 0.400 . 1 . . . . 778 HIS CE1 . 16396 1 798 . 1 1 71 71 HIS N N 15 120.997 0.400 . 1 . . . . 778 HIS N . 16396 1 799 . 1 1 72 72 ARG H H 1 8.451 0.020 . 1 . . . . 779 ARG H . 16396 1 800 . 1 1 72 72 ARG HA H 1 4.141 0.020 . 1 . . . . 779 ARG HA . 16396 1 801 . 1 1 72 72 ARG HB2 H 1 2.096 0.020 . 2 . . . . 779 ARG HB2 . 16396 1 802 . 1 1 72 72 ARG HB3 H 1 2.096 0.020 . 2 . . . . 779 ARG HB3 . 16396 1 803 . 1 1 72 72 ARG HG2 H 1 1.763 0.020 . 2 . . . . 779 ARG HG2 . 16396 1 804 . 1 1 72 72 ARG HG3 H 1 1.763 0.020 . 2 . . . . 779 ARG HG3 . 16396 1 805 . 1 1 72 72 ARG C C 13 179.530 0.400 . 1 . . . . 779 ARG C . 16396 1 806 . 1 1 72 72 ARG CA C 13 60.100 0.400 . 1 . . . . 779 ARG CA . 16396 1 807 . 1 1 72 72 ARG CB C 13 30.298 0.400 . 1 . . . . 779 ARG CB . 16396 1 808 . 1 1 72 72 ARG N N 15 120.721 0.400 . 1 . . . . 779 ARG N . 16396 1 809 . 1 1 73 73 LEU H H 1 9.163 0.020 . 1 . . . . 780 LEU H . 16396 1 810 . 1 1 73 73 LEU HA H 1 4.288 0.020 . 1 . . . . 780 LEU HA . 16396 1 811 . 1 1 73 73 LEU HB2 H 1 2.091 0.020 . 2 . . . . 780 LEU HB2 . 16396 1 812 . 1 1 73 73 LEU HB3 H 1 2.091 0.020 . 2 . . . . 780 LEU HB3 . 16396 1 813 . 1 1 73 73 LEU HD11 H 1 0.868 0.020 . 2 . . . . 780 LEU HD1 . 16396 1 814 . 1 1 73 73 LEU HD12 H 1 0.868 0.020 . 2 . . . . 780 LEU HD1 . 16396 1 815 . 1 1 73 73 LEU HD13 H 1 0.868 0.020 . 2 . . . . 780 LEU HD1 . 16396 1 816 . 1 1 73 73 LEU HD21 H 1 0.728 0.020 . 2 . . . . 780 LEU HD2 . 16396 1 817 . 1 1 73 73 LEU HD22 H 1 0.728 0.020 . 2 . . . . 780 LEU HD2 . 16396 1 818 . 1 1 73 73 LEU HD23 H 1 0.728 0.020 . 2 . . . . 780 LEU HD2 . 16396 1 819 . 1 1 73 73 LEU HG H 1 1.314 0.020 . 1 . . . . 780 LEU HG . 16396 1 820 . 1 1 73 73 LEU C C 13 178.699 0.400 . 1 . . . . 780 LEU C . 16396 1 821 . 1 1 73 73 LEU CA C 13 57.960 0.400 . 1 . . . . 780 LEU CA . 16396 1 822 . 1 1 73 73 LEU CB C 13 43.583 0.400 . 1 . . . . 780 LEU CB . 16396 1 823 . 1 1 73 73 LEU CD1 C 13 22.646 0.400 . 1 . . . . 780 LEU CD1 . 16396 1 824 . 1 1 73 73 LEU CD2 C 13 26.202 0.400 . 1 . . . . 780 LEU CD2 . 16396 1 825 . 1 1 73 73 LEU N N 15 120.305 0.400 . 1 . . . . 780 LEU N . 16396 1 826 . 1 1 74 74 THR H H 1 7.902 0.020 . 1 . . . . 781 THR H . 16396 1 827 . 1 1 74 74 THR HA H 1 4.476 0.020 . 1 . . . . 781 THR HA . 16396 1 828 . 1 1 74 74 THR HG21 H 1 0.683 0.020 . 1 . . . . 781 THR HG2 . 16396 1 829 . 1 1 74 74 THR HG22 H 1 0.683 0.020 . 1 . . . . 781 THR HG2 . 16396 1 830 . 1 1 74 74 THR HG23 H 1 0.683 0.020 . 1 . . . . 781 THR HG2 . 16396 1 831 . 1 1 74 74 THR C C 13 175.737 0.400 . 1 . . . . 781 THR C . 16396 1 832 . 1 1 74 74 THR CA C 13 64.323 0.400 . 1 . . . . 781 THR CA . 16396 1 833 . 1 1 74 74 THR CB C 13 69.796 0.400 . 1 . . . . 781 THR CB . 16396 1 834 . 1 1 74 74 THR CG2 C 13 20.825 0.400 . 1 . . . . 781 THR CG2 . 16396 1 835 . 1 1 74 74 THR N N 15 111.995 0.400 . 1 . . . . 781 THR N . 16396 1 836 . 1 1 75 75 HIS H H 1 8.386 0.020 . 1 . . . . 782 HIS H . 16396 1 837 . 1 1 75 75 HIS HA H 1 4.397 0.020 . 1 . . . . 782 HIS HA . 16396 1 838 . 1 1 75 75 HIS HB2 H 1 2.429 0.020 . 2 . . . . 782 HIS HB2 . 16396 1 839 . 1 1 75 75 HIS HB3 H 1 2.950 0.020 . 2 . . . . 782 HIS HB3 . 16396 1 840 . 1 1 75 75 HIS HD2 H 1 7.230 0.020 . 1 . . . . 782 HIS HD2 . 16396 1 841 . 1 1 75 75 HIS HE1 H 1 8.041 0.020 . 1 . . . . 782 HIS HE1 . 16396 1 842 . 1 1 75 75 HIS C C 13 174.637 0.400 . 1 . . . . 782 HIS C . 16396 1 843 . 1 1 75 75 HIS CA C 13 58.384 0.400 . 1 . . . . 782 HIS CA . 16396 1 844 . 1 1 75 75 HIS CB C 13 30.494 0.400 . 1 . . . . 782 HIS CB . 16396 1 845 . 1 1 75 75 HIS CD2 C 13 120.011 0.400 . 1 . . . . 782 HIS CD2 . 16396 1 846 . 1 1 75 75 HIS CE1 C 13 136.912 0.400 . 1 . . . . 782 HIS CE1 . 16396 1 847 . 1 1 75 75 HIS N N 15 115.583 0.400 . 1 . . . . 782 HIS N . 16396 1 848 . 1 1 76 76 TYR HA H 1 4.725 0.020 . 1 . . . . 783 TYR HA . 16396 1 849 . 1 1 76 76 TYR HB2 H 1 3.208 0.020 . 2 . . . . 783 TYR HB2 . 16396 1 850 . 1 1 76 76 TYR HB3 H 1 3.103 0.020 . 2 . . . . 783 TYR HB3 . 16396 1 851 . 1 1 76 76 TYR HD1 H 1 7.160 0.020 . 1 . . . . 783 TYR HD1 . 16396 1 852 . 1 1 76 76 TYR HD2 H 1 7.160 0.020 . 1 . . . . 783 TYR HD2 . 16396 1 853 . 1 1 76 76 TYR HE1 H 1 6.905 0.020 . 1 . . . . 783 TYR HE1 . 16396 1 854 . 1 1 76 76 TYR HE2 H 1 6.905 0.020 . 1 . . . . 783 TYR HE2 . 16396 1 855 . 1 1 76 76 TYR C C 13 176.141 0.400 . 1 . . . . 783 TYR C . 16396 1 856 . 1 1 76 76 TYR CA C 13 59.155 0.400 . 1 . . . . 783 TYR CA . 16396 1 857 . 1 1 76 76 TYR CB C 13 39.218 0.400 . 1 . . . . 783 TYR CB . 16396 1 858 . 1 1 76 76 TYR CD1 C 13 132.749 0.400 . 1 . . . . 783 TYR CD1 . 16396 1 859 . 1 1 76 76 TYR CE1 C 13 118.402 0.400 . 1 . . . . 783 TYR CE1 . 16396 1 860 . 1 1 77 77 ASP H H 1 8.248 0.020 . 1 . . . . 784 ASP H . 16396 1 861 . 1 1 77 77 ASP HA H 1 4.686 0.020 . 1 . . . . 784 ASP HA . 16396 1 862 . 1 1 77 77 ASP HB2 H 1 3.089 0.020 . 2 . . . . 784 ASP HB2 . 16396 1 863 . 1 1 77 77 ASP HB3 H 1 3.089 0.020 . 2 . . . . 784 ASP HB3 . 16396 1 864 . 1 1 77 77 ASP C C 13 175.810 0.400 . 1 . . . . 784 ASP C . 16396 1 865 . 1 1 77 77 ASP CA C 13 55.846 0.400 . 1 . . . . 784 ASP CA . 16396 1 866 . 1 1 77 77 ASP CB C 13 42.154 0.400 . 1 . . . . 784 ASP CB . 16396 1 867 . 1 1 77 77 ASP N N 15 115.591 0.400 . 1 . . . . 784 ASP N . 16396 1 868 . 1 1 78 78 HIS H H 1 6.744 0.020 . 1 . . . . 785 HIS H . 16396 1 869 . 1 1 78 78 HIS HA H 1 4.507 0.020 . 1 . . . . 785 HIS HA . 16396 1 870 . 1 1 78 78 HIS HB2 H 1 3.396 0.020 . 2 . . . . 785 HIS HB2 . 16396 1 871 . 1 1 78 78 HIS HB3 H 1 3.459 0.020 . 2 . . . . 785 HIS HB3 . 16396 1 872 . 1 1 78 78 HIS HD2 H 1 7.200 0.020 . 1 . . . . 785 HIS HD2 . 16396 1 873 . 1 1 78 78 HIS HE1 H 1 8.513 0.020 . 1 . . . . 785 HIS HE1 . 16396 1 874 . 1 1 78 78 HIS C C 13 173.556 0.400 . 1 . . . . 785 HIS C . 16396 1 875 . 1 1 78 78 HIS CA C 13 56.966 0.400 . 1 . . . . 785 HIS CA . 16396 1 876 . 1 1 78 78 HIS CB C 13 26.128 0.400 . 1 . . . . 785 HIS CB . 16396 1 877 . 1 1 78 78 HIS CD2 C 13 119.923 0.400 . 1 . . . . 785 HIS CD2 . 16396 1 878 . 1 1 78 78 HIS CE1 C 13 136.126 0.400 . 1 . . . . 785 HIS CE1 . 16396 1 879 . 1 1 78 78 HIS N N 15 109.352 0.400 . 1 . . . . 785 HIS N . 16396 1 880 . 1 1 79 79 VAL H H 1 8.184 0.020 . 1 . . . . 786 VAL H . 16396 1 881 . 1 1 79 79 VAL HA H 1 3.601 0.020 . 1 . . . . 786 VAL HA . 16396 1 882 . 1 1 79 79 VAL HB H 1 2.087 0.020 . 1 . . . . 786 VAL HB . 16396 1 883 . 1 1 79 79 VAL HG11 H 1 0.466 0.020 . 2 . . . . 786 VAL HG1 . 16396 1 884 . 1 1 79 79 VAL HG12 H 1 0.466 0.020 . 2 . . . . 786 VAL HG1 . 16396 1 885 . 1 1 79 79 VAL HG13 H 1 0.466 0.020 . 2 . . . . 786 VAL HG1 . 16396 1 886 . 1 1 79 79 VAL HG21 H 1 0.691 0.020 . 2 . . . . 786 VAL HG2 . 16396 1 887 . 1 1 79 79 VAL HG22 H 1 0.691 0.020 . 2 . . . . 786 VAL HG2 . 16396 1 888 . 1 1 79 79 VAL HG23 H 1 0.691 0.020 . 2 . . . . 786 VAL HG2 . 16396 1 889 . 1 1 79 79 VAL C C 13 175.496 0.400 . 1 . . . . 786 VAL C . 16396 1 890 . 1 1 79 79 VAL CA C 13 64.878 0.400 . 1 . . . . 786 VAL CA . 16396 1 891 . 1 1 79 79 VAL CB C 13 33.854 0.400 . 1 . . . . 786 VAL CB . 16396 1 892 . 1 1 79 79 VAL CG1 C 13 20.949 0.400 . 1 . . . . 786 VAL CG1 . 16396 1 893 . 1 1 79 79 VAL CG2 C 13 22.934 0.400 . 1 . . . . 786 VAL CG2 . 16396 1 894 . 1 1 79 79 VAL N N 15 118.649 0.400 . 1 . . . . 786 VAL N . 16396 1 895 . 1 1 80 80 LEU H H 1 6.991 0.020 . 1 . . . . 787 LEU H . 16396 1 896 . 1 1 80 80 LEU HA H 1 5.165 0.020 . 1 . . . . 787 LEU HA . 16396 1 897 . 1 1 80 80 LEU HB2 H 1 1.664 0.020 . 2 . . . . 787 LEU HB2 . 16396 1 898 . 1 1 80 80 LEU HB3 H 1 1.664 0.020 . 2 . . . . 787 LEU HB3 . 16396 1 899 . 1 1 80 80 LEU C C 13 175.453 0.400 . 1 . . . . 787 LEU C . 16396 1 900 . 1 1 80 80 LEU CA C 13 51.953 0.400 . 1 . . . . 787 LEU CA . 16396 1 901 . 1 1 80 80 LEU CB C 13 43.851 0.400 . 1 . . . . 787 LEU CB . 16396 1 902 . 1 1 80 80 LEU N N 15 114.378 0.400 . 1 . . . . 787 LEU N . 16396 1 903 . 1 1 81 81 ILE H H 1 9.018 0.020 . 1 . . . . 788 ILE H . 16396 1 904 . 1 1 81 81 ILE HA H 1 4.272 0.020 . 1 . . . . 788 ILE HA . 16396 1 905 . 1 1 81 81 ILE HB H 1 1.677 0.020 . 1 . . . . 788 ILE HB . 16396 1 906 . 1 1 81 81 ILE HD11 H 1 0.805 0.020 . 1 . . . . 788 ILE HD1 . 16396 1 907 . 1 1 81 81 ILE HD12 H 1 0.805 0.020 . 1 . . . . 788 ILE HD1 . 16396 1 908 . 1 1 81 81 ILE HD13 H 1 0.805 0.020 . 1 . . . . 788 ILE HD1 . 16396 1 909 . 1 1 81 81 ILE HG12 H 1 1.348 0.020 . 2 . . . . 788 ILE HG12 . 16396 1 910 . 1 1 81 81 ILE HG13 H 1 1.348 0.020 . 2 . . . . 788 ILE HG13 . 16396 1 911 . 1 1 81 81 ILE HG21 H 1 0.828 0.020 . 1 . . . . 788 ILE HG2 . 16396 1 912 . 1 1 81 81 ILE HG22 H 1 0.828 0.020 . 1 . . . . 788 ILE HG2 . 16396 1 913 . 1 1 81 81 ILE HG23 H 1 0.828 0.020 . 1 . . . . 788 ILE HG2 . 16396 1 914 . 1 1 81 81 ILE C C 13 174.438 0.400 . 1 . . . . 788 ILE C . 16396 1 915 . 1 1 81 81 ILE CA C 13 59.708 0.400 . 1 . . . . 788 ILE CA . 16396 1 916 . 1 1 81 81 ILE CB C 13 41.242 0.400 . 1 . . . . 788 ILE CB . 16396 1 917 . 1 1 81 81 ILE CD1 C 13 13.561 0.400 . 1 . . . . 788 ILE CD1 . 16396 1 918 . 1 1 81 81 ILE CG2 C 13 17.361 0.400 . 1 . . . . 788 ILE CG2 . 16396 1 919 . 1 1 81 81 ILE N N 15 117.713 0.400 . 1 . . . . 788 ILE N . 16396 1 920 . 1 1 82 82 GLU H H 1 8.232 0.020 . 1 . . . . 789 GLU H . 16396 1 921 . 1 1 82 82 GLU HA H 1 5.032 0.020 . 1 . . . . 789 GLU HA . 16396 1 922 . 1 1 82 82 GLU HB2 H 1 1.845 0.020 . 2 . . . . 789 GLU HB2 . 16396 1 923 . 1 1 82 82 GLU HB3 H 1 2.068 0.020 . 2 . . . . 789 GLU HB3 . 16396 1 924 . 1 1 82 82 GLU HG2 H 1 2.248 0.020 . 2 . . . . 789 GLU HG2 . 16396 1 925 . 1 1 82 82 GLU HG3 H 1 2.248 0.020 . 2 . . . . 789 GLU HG3 . 16396 1 926 . 1 1 82 82 GLU C C 13 176.676 0.400 . 1 . . . . 789 GLU C . 16396 1 927 . 1 1 82 82 GLU CA C 13 54.850 0.400 . 1 . . . . 789 GLU CA . 16396 1 928 . 1 1 82 82 GLU CB C 13 30.931 0.400 . 1 . . . . 789 GLU CB . 16396 1 929 . 1 1 82 82 GLU N N 15 121.251 0.400 . 1 . . . . 789 GLU N . 16396 1 930 . 1 1 83 83 LEU H H 1 9.033 0.020 . 1 . . . . 790 LEU H . 16396 1 931 . 1 1 83 83 LEU HA H 1 4.701 0.020 . 1 . . . . 790 LEU HA . 16396 1 932 . 1 1 83 83 LEU HB2 H 1 1.626 0.020 . 2 . . . . 790 LEU HB2 . 16396 1 933 . 1 1 83 83 LEU HB3 H 1 1.626 0.020 . 2 . . . . 790 LEU HB3 . 16396 1 934 . 1 1 83 83 LEU HG H 1 1.566 0.020 . 1 . . . . 790 LEU HG . 16396 1 935 . 1 1 83 83 LEU C C 13 177.213 0.400 . 1 . . . . 790 LEU C . 16396 1 936 . 1 1 83 83 LEU CA C 13 54.367 0.400 . 1 . . . . 790 LEU CA . 16396 1 937 . 1 1 83 83 LEU CB C 13 43.603 0.400 . 1 . . . . 790 LEU CB . 16396 1 938 . 1 1 83 83 LEU N N 15 124.833 0.400 . 1 . . . . 790 LEU N . 16396 1 939 . 1 1 84 84 THR H H 1 8.273 0.020 . 1 . . . . 791 THR H . 16396 1 940 . 1 1 84 84 THR HA H 1 4.556 0.020 . 1 . . . . 791 THR HA . 16396 1 941 . 1 1 84 84 THR HB H 1 4.422 0.020 . 1 . . . . 791 THR HB . 16396 1 942 . 1 1 84 84 THR HG21 H 1 1.288 0.020 . 1 . . . . 791 THR HG2 . 16396 1 943 . 1 1 84 84 THR HG22 H 1 1.288 0.020 . 1 . . . . 791 THR HG2 . 16396 1 944 . 1 1 84 84 THR HG23 H 1 1.288 0.020 . 1 . . . . 791 THR HG2 . 16396 1 945 . 1 1 84 84 THR C C 13 174.843 0.400 . 1 . . . . 791 THR C . 16396 1 946 . 1 1 84 84 THR CA C 13 61.399 0.400 . 1 . . . . 791 THR CA . 16396 1 947 . 1 1 84 84 THR CB C 13 70.355 0.400 . 1 . . . . 791 THR CB . 16396 1 948 . 1 1 84 84 THR CG2 C 13 21.947 0.400 . 1 . . . . 791 THR CG2 . 16396 1 949 . 1 1 84 84 THR N N 15 113.774 0.400 . 1 . . . . 791 THR N . 16396 1 950 . 1 1 85 85 GLN H H 1 8.600 0.020 . 1 . . . . 792 GLN H . 16396 1 951 . 1 1 85 85 GLN HA H 1 4.250 0.020 . 1 . . . . 792 GLN HA . 16396 1 952 . 1 1 85 85 GLN HB2 H 1 2.049 0.020 . 2 . . . . 792 GLN HB2 . 16396 1 953 . 1 1 85 85 GLN HB3 H 1 2.148 0.020 . 2 . . . . 792 GLN HB3 . 16396 1 954 . 1 1 85 85 GLN HE21 H 1 7.465 0.020 . 2 . . . . 792 GLN HE21 . 16396 1 955 . 1 1 85 85 GLN HE22 H 1 6.824 0.020 . 2 . . . . 792 GLN HE22 . 16396 1 956 . 1 1 85 85 GLN HG2 H 1 2.354 0.020 . 2 . . . . 792 GLN HG2 . 16396 1 957 . 1 1 85 85 GLN HG3 H 1 2.354 0.020 . 2 . . . . 792 GLN HG3 . 16396 1 958 . 1 1 85 85 GLN C C 13 176.043 0.400 . 1 . . . . 792 GLN C . 16396 1 959 . 1 1 85 85 GLN CA C 13 56.846 0.400 . 1 . . . . 792 GLN CA . 16396 1 960 . 1 1 85 85 GLN CB C 13 29.567 0.400 . 1 . . . . 792 GLN CB . 16396 1 961 . 1 1 85 85 GLN CG C 13 34.004 0.400 . 1 . . . . 792 GLN CG . 16396 1 962 . 1 1 85 85 GLN N N 15 120.798 0.400 . 1 . . . . 792 GLN N . 16396 1 963 . 1 1 85 85 GLN NE2 N 15 111.269 0.400 . 1 . . . . 792 GLN NE2 . 16396 1 964 . 1 1 86 86 ALA H H 1 8.231 0.020 . 1 . . . . 793 ALA H . 16396 1 965 . 1 1 86 86 ALA HA H 1 4.242 0.020 . 1 . . . . 793 ALA HA . 16396 1 966 . 1 1 86 86 ALA HB1 H 1 1.345 0.020 . 1 . . . . 793 ALA HB . 16396 1 967 . 1 1 86 86 ALA HB2 H 1 1.345 0.020 . 1 . . . . 793 ALA HB . 16396 1 968 . 1 1 86 86 ALA HB3 H 1 1.345 0.020 . 1 . . . . 793 ALA HB . 16396 1 969 . 1 1 86 86 ALA C C 13 178.370 0.400 . 1 . . . . 793 ALA C . 16396 1 970 . 1 1 86 86 ALA CA C 13 53.229 0.400 . 1 . . . . 793 ALA CA . 16396 1 971 . 1 1 86 86 ALA CB C 13 19.192 0.400 . 1 . . . . 793 ALA CB . 16396 1 972 . 1 1 86 86 ALA N N 15 122.755 0.400 . 1 . . . . 793 ALA N . 16396 1 973 . 1 1 87 87 GLY H H 1 8.201 0.020 . 1 . . . . 794 GLY H . 16396 1 974 . 1 1 87 87 GLY HA2 H 1 3.946 0.020 . 2 . . . . 794 GLY HA2 . 16396 1 975 . 1 1 87 87 GLY HA3 H 1 3.946 0.020 . 2 . . . . 794 GLY HA3 . 16396 1 976 . 1 1 87 87 GLY C C 13 174.559 0.400 . 1 . . . . 794 GLY C . 16396 1 977 . 1 1 87 87 GLY CA C 13 45.693 0.400 . 1 . . . . 794 GLY CA . 16396 1 978 . 1 1 87 87 GLY N N 15 106.746 0.400 . 1 . . . . 794 GLY N . 16396 1 979 . 1 1 88 88 LEU H H 1 7.930 0.020 . 1 . . . . 795 LEU H . 16396 1 980 . 1 1 88 88 LEU HA H 1 4.336 0.020 . 1 . . . . 795 LEU HA . 16396 1 981 . 1 1 88 88 LEU HB2 H 1 1.598 0.020 . 2 . . . . 795 LEU HB2 . 16396 1 982 . 1 1 88 88 LEU HB3 H 1 1.598 0.020 . 2 . . . . 795 LEU HB3 . 16396 1 983 . 1 1 88 88 LEU HD11 H 1 0.818 0.020 . 2 . . . . 795 LEU HD1 . 16396 1 984 . 1 1 88 88 LEU HD12 H 1 0.818 0.020 . 2 . . . . 795 LEU HD1 . 16396 1 985 . 1 1 88 88 LEU HD13 H 1 0.818 0.020 . 2 . . . . 795 LEU HD1 . 16396 1 986 . 1 1 88 88 LEU HD21 H 1 0.800 0.020 . 2 . . . . 795 LEU HD2 . 16396 1 987 . 1 1 88 88 LEU HD22 H 1 0.800 0.020 . 2 . . . . 795 LEU HD2 . 16396 1 988 . 1 1 88 88 LEU HD23 H 1 0.800 0.020 . 2 . . . . 795 LEU HD2 . 16396 1 989 . 1 1 88 88 LEU HG H 1 1.558 0.020 . 1 . . . . 795 LEU HG . 16396 1 990 . 1 1 88 88 LEU C C 13 177.631 0.400 . 1 . . . . 795 LEU C . 16396 1 991 . 1 1 88 88 LEU CA C 13 55.589 0.400 . 1 . . . . 795 LEU CA . 16396 1 992 . 1 1 88 88 LEU CB C 13 42.484 0.400 . 1 . . . . 795 LEU CB . 16396 1 993 . 1 1 88 88 LEU CD1 C 13 25.079 0.400 . 1 . . . . 795 LEU CD1 . 16396 1 994 . 1 1 88 88 LEU CD2 C 13 23.704 0.400 . 1 . . . . 795 LEU CD2 . 16396 1 995 . 1 1 88 88 LEU CG C 13 26.949 0.400 . 1 . . . . 795 LEU CG . 16396 1 996 . 1 1 88 88 LEU N N 15 120.725 0.400 . 1 . . . . 795 LEU N . 16396 1 997 . 1 1 89 89 LYS H H 1 8.238 0.020 . 1 . . . . 796 LYS H . 16396 1 998 . 1 1 89 89 LYS HA H 1 4.332 0.020 . 1 . . . . 796 LYS HA . 16396 1 999 . 1 1 89 89 LYS HB2 H 1 1.824 0.020 . 2 . . . . 796 LYS HB2 . 16396 1 1000 . 1 1 89 89 LYS HB3 H 1 1.903 0.020 . 2 . . . . 796 LYS HB3 . 16396 1 1001 . 1 1 89 89 LYS HD2 H 1 1.694 0.020 . 2 . . . . 796 LYS HD2 . 16396 1 1002 . 1 1 89 89 LYS HD3 H 1 1.694 0.020 . 2 . . . . 796 LYS HD3 . 16396 1 1003 . 1 1 89 89 LYS HE2 H 1 3.006 0.020 . 2 . . . . 796 LYS HE2 . 16396 1 1004 . 1 1 89 89 LYS HE3 H 1 3.006 0.020 . 2 . . . . 796 LYS HE3 . 16396 1 1005 . 1 1 89 89 LYS HG2 H 1 1.446 0.020 . 2 . . . . 796 LYS HG2 . 16396 1 1006 . 1 1 89 89 LYS HG3 H 1 1.446 0.020 . 2 . . . . 796 LYS HG3 . 16396 1 1007 . 1 1 89 89 LYS C C 13 177.146 0.400 . 1 . . . . 796 LYS C . 16396 1 1008 . 1 1 89 89 LYS CA C 13 56.653 0.400 . 1 . . . . 796 LYS CA . 16396 1 1009 . 1 1 89 89 LYS CB C 13 32.891 0.400 . 1 . . . . 796 LYS CB . 16396 1 1010 . 1 1 89 89 LYS CD C 13 29.172 0.400 . 1 . . . . 796 LYS CD . 16396 1 1011 . 1 1 89 89 LYS CE C 13 42.267 0.400 . 1 . . . . 796 LYS CE . 16396 1 1012 . 1 1 89 89 LYS CG C 13 24.987 0.400 . 1 . . . . 796 LYS CG . 16396 1 1013 . 1 1 89 89 LYS N N 15 119.794 0.400 . 1 . . . . 796 LYS N . 16396 1 1014 . 1 1 90 90 GLY H H 1 8.295 0.020 . 1 . . . . 797 GLY H . 16396 1 1015 . 1 1 90 90 GLY HA2 H 1 4.030 0.020 . 2 . . . . 797 GLY HA2 . 16396 1 1016 . 1 1 90 90 GLY HA3 H 1 4.030 0.020 . 2 . . . . 797 GLY HA3 . 16396 1 1017 . 1 1 90 90 GLY CA C 13 45.580 0.400 . 1 . . . . 797 GLY CA . 16396 1 1018 . 1 1 90 90 GLY N N 15 108.925 0.400 . 1 . . . . 797 GLY N . 16396 1 1019 . 1 1 91 91 SER HA H 1 4.598 0.020 . 1 . . . . 798 SER HA . 16396 1 1020 . 1 1 91 91 SER HB2 H 1 3.923 0.020 . 2 . . . . 798 SER HB2 . 16396 1 1021 . 1 1 91 91 SER HB3 H 1 3.923 0.020 . 2 . . . . 798 SER HB3 . 16396 1 1022 . 1 1 91 91 SER C C 13 175.124 0.400 . 1 . . . . 798 SER C . 16396 1 1023 . 1 1 91 91 SER CA C 13 58.289 0.400 . 1 . . . . 798 SER CA . 16396 1 1024 . 1 1 91 91 SER CB C 13 64.031 0.400 . 1 . . . . 798 SER CB . 16396 1 1025 . 1 1 92 92 THR H H 1 8.243 0.020 . 1 . . . . 799 THR H . 16396 1 1026 . 1 1 92 92 THR HA H 1 4.439 0.020 . 1 . . . . 799 THR HA . 16396 1 1027 . 1 1 92 92 THR HB H 1 4.351 0.020 . 1 . . . . 799 THR HB . 16396 1 1028 . 1 1 92 92 THR HG21 H 1 1.236 0.020 . 1 . . . . 799 THR HG2 . 16396 1 1029 . 1 1 92 92 THR HG22 H 1 1.236 0.020 . 1 . . . . 799 THR HG2 . 16396 1 1030 . 1 1 92 92 THR HG23 H 1 1.236 0.020 . 1 . . . . 799 THR HG2 . 16396 1 1031 . 1 1 92 92 THR C C 13 174.788 0.400 . 1 . . . . 799 THR C . 16396 1 1032 . 1 1 92 92 THR CA C 13 61.975 0.400 . 1 . . . . 799 THR CA . 16396 1 1033 . 1 1 92 92 THR CB C 13 69.762 0.400 . 1 . . . . 799 THR CB . 16396 1 1034 . 1 1 92 92 THR CG2 C 13 21.785 0.400 . 1 . . . . 799 THR CG2 . 16396 1 1035 . 1 1 92 92 THR N N 15 114.569 0.400 . 1 . . . . 799 THR N . 16396 1 1036 . 1 1 93 93 GLU H H 1 8.406 0.020 . 1 . . . . 800 GLU H . 16396 1 1037 . 1 1 93 93 GLU HA H 1 4.332 0.020 . 1 . . . . 800 GLU HA . 16396 1 1038 . 1 1 93 93 GLU HB2 H 1 1.994 0.020 . 2 . . . . 800 GLU HB2 . 16396 1 1039 . 1 1 93 93 GLU HB3 H 1 2.108 0.020 . 2 . . . . 800 GLU HB3 . 16396 1 1040 . 1 1 93 93 GLU HG2 H 1 2.303 0.020 . 2 . . . . 800 GLU HG2 . 16396 1 1041 . 1 1 93 93 GLU HG3 H 1 2.303 0.020 . 2 . . . . 800 GLU HG3 . 16396 1 1042 . 1 1 93 93 GLU C C 13 176.972 0.400 . 1 . . . . 800 GLU C . 16396 1 1043 . 1 1 93 93 GLU CA C 13 57.028 0.400 . 1 . . . . 800 GLU CA . 16396 1 1044 . 1 1 93 93 GLU CB C 13 30.313 0.400 . 1 . . . . 800 GLU CB . 16396 1 1045 . 1 1 93 93 GLU CG C 13 36.374 0.400 . 1 . . . . 800 GLU CG . 16396 1 1046 . 1 1 93 93 GLU N N 15 122.212 0.400 . 1 . . . . 800 GLU N . 16396 1 1047 . 1 1 94 94 GLY H H 1 8.437 0.020 . 1 . . . . 801 GLY H . 16396 1 1048 . 1 1 94 94 GLY HA2 H 1 4.033 0.020 . 2 . . . . 801 GLY HA2 . 16396 1 1049 . 1 1 94 94 GLY HA3 H 1 4.033 0.020 . 2 . . . . 801 GLY HA3 . 16396 1 1050 . 1 1 94 94 GLY C C 13 176.211 0.400 . 1 . . . . 801 GLY C . 16396 1 1051 . 1 1 94 94 GLY CA C 13 45.595 0.400 . 1 . . . . 801 GLY CA . 16396 1 1052 . 1 1 94 94 GLY N N 15 109.500 0.400 . 1 . . . . 801 GLY N . 16396 1 1053 . 1 1 95 95 SER H H 1 8.156 0.020 . 1 . . . . 802 SER H . 16396 1 1054 . 1 1 95 95 SER HA H 1 4.495 0.020 . 1 . . . . 802 SER HA . 16396 1 1055 . 1 1 95 95 SER HB2 H 1 3.897 0.020 . 2 . . . . 802 SER HB2 . 16396 1 1056 . 1 1 95 95 SER HB3 H 1 3.897 0.020 . 2 . . . . 802 SER HB3 . 16396 1 1057 . 1 1 95 95 SER C C 13 174.758 0.400 . 1 . . . . 802 SER C . 16396 1 1058 . 1 1 95 95 SER CA C 13 58.572 0.400 . 1 . . . . 802 SER CA . 16396 1 1059 . 1 1 95 95 SER CB C 13 63.997 0.400 . 1 . . . . 802 SER CB . 16396 1 1060 . 1 1 95 95 SER N N 15 114.654 0.400 . 1 . . . . 802 SER N . 16396 1 1061 . 1 1 96 96 GLU H H 1 8.559 0.020 . 1 . . . . 803 GLU H . 16396 1 1062 . 1 1 96 96 GLU HA H 1 4.364 0.020 . 1 . . . . 803 GLU HA . 16396 1 1063 . 1 1 96 96 GLU HB2 H 1 1.969 0.020 . 2 . . . . 803 GLU HB2 . 16396 1 1064 . 1 1 96 96 GLU HB3 H 1 2.075 0.020 . 2 . . . . 803 GLU HB3 . 16396 1 1065 . 1 1 96 96 GLU HG2 H 1 2.289 0.020 . 2 . . . . 803 GLU HG2 . 16396 1 1066 . 1 1 96 96 GLU HG3 H 1 2.289 0.020 . 2 . . . . 803 GLU HG3 . 16396 1 1067 . 1 1 96 96 GLU C C 13 176.413 0.400 . 1 . . . . 803 GLU C . 16396 1 1068 . 1 1 96 96 GLU CA C 13 57.011 0.400 . 1 . . . . 803 GLU CA . 16396 1 1069 . 1 1 96 96 GLU CB C 13 30.183 0.400 . 1 . . . . 803 GLU CB . 16396 1 1070 . 1 1 96 96 GLU CG C 13 36.424 0.400 . 1 . . . . 803 GLU CG . 16396 1 1071 . 1 1 96 96 GLU N N 15 121.712 0.400 . 1 . . . . 803 GLU N . 16396 1 1072 . 1 1 97 97 SER H H 1 8.187 0.020 . 1 . . . . 804 SER H . 16396 1 1073 . 1 1 97 97 SER HA H 1 4.483 0.020 . 1 . . . . 804 SER HA . 16396 1 1074 . 1 1 97 97 SER HB2 H 1 3.849 0.020 . 2 . . . . 804 SER HB2 . 16396 1 1075 . 1 1 97 97 SER HB3 H 1 3.849 0.020 . 2 . . . . 804 SER HB3 . 16396 1 1076 . 1 1 97 97 SER C C 13 174.324 0.400 . 1 . . . . 804 SER C . 16396 1 1077 . 1 1 97 97 SER CA C 13 58.472 0.400 . 1 . . . . 804 SER CA . 16396 1 1078 . 1 1 97 97 SER CB C 13 63.958 0.400 . 1 . . . . 804 SER CB . 16396 1 1079 . 1 1 97 97 SER N N 15 115.064 0.400 . 1 . . . . 804 SER N . 16396 1 1080 . 1 1 98 98 TYR H H 1 8.167 0.020 . 1 . . . . 805 TYR H . 16396 1 1081 . 1 1 98 98 TYR HA H 1 4.582 0.020 . 1 . . . . 805 TYR HA . 16396 1 1082 . 1 1 98 98 TYR HB2 H 1 3.036 0.020 . 2 . . . . 805 TYR HB2 . 16396 1 1083 . 1 1 98 98 TYR HB3 H 1 3.111 0.020 . 2 . . . . 805 TYR HB3 . 16396 1 1084 . 1 1 98 98 TYR HD1 H 1 7.148 0.020 . 1 . . . . 805 TYR HD1 . 16396 1 1085 . 1 1 98 98 TYR HD2 H 1 7.148 0.020 . 1 . . . . 805 TYR HD2 . 16396 1 1086 . 1 1 98 98 TYR HE1 H 1 6.867 0.020 . 1 . . . . 805 TYR HE1 . 16396 1 1087 . 1 1 98 98 TYR HE2 H 1 6.867 0.020 . 1 . . . . 805 TYR HE2 . 16396 1 1088 . 1 1 98 98 TYR C C 13 175.666 0.400 . 1 . . . . 805 TYR C . 16396 1 1089 . 1 1 98 98 TYR CA C 13 58.226 0.400 . 1 . . . . 805 TYR CA . 16396 1 1090 . 1 1 98 98 TYR CB C 13 38.891 0.400 . 1 . . . . 805 TYR CB . 16396 1 1091 . 1 1 98 98 TYR CD1 C 13 133.227 0.400 . 1 . . . . 805 TYR CD1 . 16396 1 1092 . 1 1 98 98 TYR CE1 C 13 118.422 0.400 . 1 . . . . 805 TYR CE1 . 16396 1 1093 . 1 1 98 98 TYR N N 15 121.718 0.400 . 1 . . . . 805 TYR N . 16396 1 1094 . 1 1 99 99 GLU H H 1 8.218 0.020 . 1 . . . . 806 GLU H . 16396 1 1095 . 1 1 99 99 GLU HA H 1 4.212 0.020 . 1 . . . . 806 GLU HA . 16396 1 1096 . 1 1 99 99 GLU HB2 H 1 1.918 0.020 . 2 . . . . 806 GLU HB2 . 16396 1 1097 . 1 1 99 99 GLU HB3 H 1 2.016 0.020 . 2 . . . . 806 GLU HB3 . 16396 1 1098 . 1 1 99 99 GLU HG2 H 1 2.244 0.020 . 2 . . . . 806 GLU HG2 . 16396 1 1099 . 1 1 99 99 GLU HG3 H 1 2.244 0.020 . 2 . . . . 806 GLU HG3 . 16396 1 1100 . 1 1 99 99 GLU C C 13 176.093 0.400 . 1 . . . . 806 GLU C . 16396 1 1101 . 1 1 99 99 GLU CA C 13 56.638 0.400 . 1 . . . . 806 GLU CA . 16396 1 1102 . 1 1 99 99 GLU CB C 13 30.566 0.400 . 1 . . . . 806 GLU CB . 16396 1 1103 . 1 1 99 99 GLU CG C 13 36.447 0.400 . 1 . . . . 806 GLU CG . 16396 1 1104 . 1 1 99 99 GLU N N 15 120.961 0.400 . 1 . . . . 806 GLU N . 16396 1 1105 . 1 1 100 100 GLU H H 1 8.218 0.020 . 1 . . . . 807 GLU H . 16396 1 1106 . 1 1 100 100 GLU HA H 1 4.167 0.020 . 1 . . . . 807 GLU HA . 16396 1 1107 . 1 1 100 100 GLU HB2 H 1 2.016 0.020 . 2 . . . . 807 GLU HB2 . 16396 1 1108 . 1 1 100 100 GLU HB3 H 1 2.092 0.020 . 2 . . . . 807 GLU HB3 . 16396 1 1109 . 1 1 100 100 GLU HG2 H 1 2.285 0.020 . 2 . . . . 807 GLU HG2 . 16396 1 1110 . 1 1 100 100 GLU HG3 H 1 2.285 0.020 . 2 . . . . 807 GLU HG3 . 16396 1 1111 . 1 1 100 100 GLU C C 13 175.939 0.400 . 1 . . . . 807 GLU C . 16396 1 1112 . 1 1 100 100 GLU CA C 13 57.330 0.400 . 1 . . . . 807 GLU CA . 16396 1 1113 . 1 1 100 100 GLU CB C 13 30.352 0.400 . 1 . . . . 807 GLU CB . 16396 1 1114 . 1 1 100 100 GLU CG C 13 36.475 0.400 . 1 . . . . 807 GLU CG . 16396 1 1115 . 1 1 100 100 GLU N N 15 120.529 0.400 . 1 . . . . 807 GLU N . 16396 1 1116 . 1 1 101 101 ASP H H 1 8.172 0.020 . 1 . . . . 808 ASP H . 16396 1 1117 . 1 1 101 101 ASP HA H 1 5.111 0.020 . 1 . . . . 808 ASP HA . 16396 1 1118 . 1 1 101 101 ASP HB2 H 1 2.411 0.020 . 2 . . . . 808 ASP HB2 . 16396 1 1119 . 1 1 101 101 ASP HB3 H 1 2.847 0.020 . 2 . . . . 808 ASP HB3 . 16396 1 1120 . 1 1 101 101 ASP CA C 13 51.730 0.400 . 1 . . . . 808 ASP CA . 16396 1 1121 . 1 1 101 101 ASP CB C 13 40.419 0.400 . 1 . . . . 808 ASP CB . 16396 1 1122 . 1 1 101 101 ASP N N 15 119.141 0.400 . 1 . . . . 808 ASP N . 16396 1 1123 . 1 1 102 102 PRO HA H 1 4.464 0.020 . 1 . . . . 809 PRO HA . 16396 1 1124 . 1 1 102 102 PRO HB2 H 1 2.185 0.020 . 2 . . . . 809 PRO HB2 . 16396 1 1125 . 1 1 102 102 PRO HB3 H 1 2.185 0.020 . 2 . . . . 809 PRO HB3 . 16396 1 1126 . 1 1 102 102 PRO HD2 H 1 3.583 0.020 . 2 . . . . 809 PRO HD2 . 16396 1 1127 . 1 1 102 102 PRO HD3 H 1 3.583 0.020 . 2 . . . . 809 PRO HD3 . 16396 1 1128 . 1 1 102 102 PRO HG2 H 1 1.968 0.020 . 2 . . . . 809 PRO HG2 . 16396 1 1129 . 1 1 102 102 PRO HG3 H 1 1.968 0.020 . 2 . . . . 809 PRO HG3 . 16396 1 1130 . 1 1 102 102 PRO C C 13 176.407 0.400 . 1 . . . . 809 PRO C . 16396 1 1131 . 1 1 102 102 PRO CA C 13 62.868 0.400 . 1 . . . . 809 PRO CA . 16396 1 1132 . 1 1 102 102 PRO CB C 13 32.475 0.400 . 1 . . . . 809 PRO CB . 16396 1 1133 . 1 1 103 103 TYR H H 1 8.225 0.020 . 1 . . . . 810 TYR H . 16396 1 1134 . 1 1 103 103 TYR HA H 1 4.454 0.020 . 1 . . . . 810 TYR HA . 16396 1 1135 . 1 1 103 103 TYR HB2 H 1 2.653 0.020 . 2 . . . . 810 TYR HB2 . 16396 1 1136 . 1 1 103 103 TYR HB3 H 1 2.874 0.020 . 2 . . . . 810 TYR HB3 . 16396 1 1137 . 1 1 103 103 TYR HD1 H 1 6.857 0.020 . 1 . . . . 810 TYR HD1 . 16396 1 1138 . 1 1 103 103 TYR HD2 H 1 6.857 0.020 . 1 . . . . 810 TYR HD2 . 16396 1 1139 . 1 1 103 103 TYR HE1 H 1 7.091 0.020 . 1 . . . . 810 TYR HE1 . 16396 1 1140 . 1 1 103 103 TYR HE2 H 1 7.091 0.020 . 1 . . . . 810 TYR HE2 . 16396 1 1141 . 1 1 103 103 TYR C C 13 175.485 0.400 . 1 . . . . 810 TYR C . 16396 1 1142 . 1 1 103 103 TYR CA C 13 59.045 0.400 . 1 . . . . 810 TYR CA . 16396 1 1143 . 1 1 103 103 TYR CB C 13 39.683 0.400 . 1 . . . . 810 TYR CB . 16396 1 1144 . 1 1 103 103 TYR N N 15 116.051 0.400 . 1 . . . . 810 TYR N . 16396 1 1145 . 1 1 104 104 LEU H H 1 8.641 0.020 . 1 . . . . 811 LEU H . 16396 1 1146 . 1 1 104 104 LEU HA H 1 5.462 0.020 . 1 . . . . 811 LEU HA . 16396 1 1147 . 1 1 104 104 LEU HB2 H 1 1.627 0.020 . 2 . . . . 811 LEU HB2 . 16396 1 1148 . 1 1 104 104 LEU HB3 H 1 1.627 0.020 . 2 . . . . 811 LEU HB3 . 16396 1 1149 . 1 1 104 104 LEU HD11 H 1 0.871 0.020 . 2 . . . . 811 LEU HD1 . 16396 1 1150 . 1 1 104 104 LEU HD12 H 1 0.871 0.020 . 2 . . . . 811 LEU HD1 . 16396 1 1151 . 1 1 104 104 LEU HD13 H 1 0.871 0.020 . 2 . . . . 811 LEU HD1 . 16396 1 1152 . 1 1 104 104 LEU HD21 H 1 0.871 0.020 . 2 . . . . 811 LEU HD2 . 16396 1 1153 . 1 1 104 104 LEU HD22 H 1 0.871 0.020 . 2 . . . . 811 LEU HD2 . 16396 1 1154 . 1 1 104 104 LEU HD23 H 1 0.871 0.020 . 2 . . . . 811 LEU HD2 . 16396 1 1155 . 1 1 104 104 LEU HG H 1 1.133 0.020 . 1 . . . . 811 LEU HG . 16396 1 1156 . 1 1 104 104 LEU CA C 13 53.489 0.400 . 1 . . . . 811 LEU CA . 16396 1 1157 . 1 1 104 104 LEU CB C 13 45.876 0.400 . 1 . . . . 811 LEU CB . 16396 1 1158 . 1 1 104 104 LEU CD1 C 13 24.546 0.400 . 1 . . . . 811 LEU CD1 . 16396 1 1159 . 1 1 104 104 LEU N N 15 121.289 0.400 . 1 . . . . 811 LEU N . 16396 1 1160 . 1 1 105 105 VAL H H 1 8.227 0.020 . 1 . . . . 812 VAL H . 16396 1 1161 . 1 1 105 105 VAL HA H 1 4.733 0.020 . 1 . . . . 812 VAL HA . 16396 1 1162 . 1 1 105 105 VAL HB H 1 2.263 0.020 . 1 . . . . 812 VAL HB . 16396 1 1163 . 1 1 105 105 VAL HG11 H 1 0.729 0.020 . 2 . . . . 812 VAL HG1 . 16396 1 1164 . 1 1 105 105 VAL HG12 H 1 0.729 0.020 . 2 . . . . 812 VAL HG1 . 16396 1 1165 . 1 1 105 105 VAL HG13 H 1 0.729 0.020 . 2 . . . . 812 VAL HG1 . 16396 1 1166 . 1 1 105 105 VAL HG21 H 1 0.939 0.020 . 2 . . . . 812 VAL HG2 . 16396 1 1167 . 1 1 105 105 VAL HG22 H 1 0.939 0.020 . 2 . . . . 812 VAL HG2 . 16396 1 1168 . 1 1 105 105 VAL HG23 H 1 0.939 0.020 . 2 . . . . 812 VAL HG2 . 16396 1 1169 . 1 1 105 105 VAL C C 13 175.419 0.400 . 1 . . . . 812 VAL C . 16396 1 1170 . 1 1 105 105 VAL CA C 13 58.605 0.400 . 1 . . . . 812 VAL CA . 16396 1 1171 . 1 1 105 105 VAL CB C 13 36.111 0.400 . 1 . . . . 812 VAL CB . 16396 1 1172 . 1 1 105 105 VAL CG1 C 13 19.107 0.400 . 1 . . . . 812 VAL CG1 . 16396 1 1173 . 1 1 105 105 VAL CG2 C 13 22.636 0.400 . 1 . . . . 812 VAL CG2 . 16396 1 1174 . 1 1 105 105 VAL N N 15 109.420 0.400 . 1 . . . . 812 VAL N . 16396 1 1175 . 1 1 106 106 VAL H H 1 8.756 0.020 . 1 . . . . 813 VAL H . 16396 1 1176 . 1 1 106 106 VAL HA H 1 4.152 0.020 . 1 . . . . 813 VAL HA . 16396 1 1177 . 1 1 106 106 VAL HB H 1 1.978 0.020 . 1 . . . . 813 VAL HB . 16396 1 1178 . 1 1 106 106 VAL HG11 H 1 1.006 0.020 . 2 . . . . 813 VAL HG1 . 16396 1 1179 . 1 1 106 106 VAL HG12 H 1 1.006 0.020 . 2 . . . . 813 VAL HG1 . 16396 1 1180 . 1 1 106 106 VAL HG13 H 1 1.006 0.020 . 2 . . . . 813 VAL HG1 . 16396 1 1181 . 1 1 106 106 VAL HG21 H 1 1.056 0.020 . 2 . . . . 813 VAL HG2 . 16396 1 1182 . 1 1 106 106 VAL HG22 H 1 1.056 0.020 . 2 . . . . 813 VAL HG2 . 16396 1 1183 . 1 1 106 106 VAL HG23 H 1 1.056 0.020 . 2 . . . . 813 VAL HG2 . 16396 1 1184 . 1 1 106 106 VAL C C 13 176.278 0.400 . 1 . . . . 813 VAL C . 16396 1 1185 . 1 1 106 106 VAL CA C 13 62.909 0.400 . 1 . . . . 813 VAL CA . 16396 1 1186 . 1 1 106 106 VAL CB C 13 32.103 0.400 . 1 . . . . 813 VAL CB . 16396 1 1187 . 1 1 106 106 VAL CG1 C 13 24.163 0.400 . 1 . . . . 813 VAL CG1 . 16396 1 1188 . 1 1 106 106 VAL CG2 C 13 22.017 0.400 . 1 . . . . 813 VAL CG2 . 16396 1 1189 . 1 1 106 106 VAL N N 15 120.341 0.400 . 1 . . . . 813 VAL N . 16396 1 1190 . 1 1 107 107 ASN H H 1 8.893 0.020 . 1 . . . . 814 ASN H . 16396 1 1191 . 1 1 107 107 ASN HA H 1 4.145 0.020 . 1 . . . . 814 ASN HA . 16396 1 1192 . 1 1 107 107 ASN HB2 H 1 3.171 0.020 . 2 . . . . 814 ASN HB2 . 16396 1 1193 . 1 1 107 107 ASN HB3 H 1 2.600 0.020 . 2 . . . . 814 ASN HB3 . 16396 1 1194 . 1 1 107 107 ASN CA C 13 51.289 0.400 . 1 . . . . 814 ASN CA . 16396 1 1195 . 1 1 107 107 ASN CB C 13 39.264 0.400 . 1 . . . . 814 ASN CB . 16396 1 1196 . 1 1 107 107 ASN N N 15 125.640 0.400 . 1 . . . . 814 ASN N . 16396 1 1197 . 1 1 108 108 PRO HA H 1 4.461 0.020 . 1 . . . . 815 PRO HA . 16396 1 1198 . 1 1 108 108 PRO HB2 H 1 2.017 0.020 . 2 . . . . 815 PRO HB2 . 16396 1 1199 . 1 1 108 108 PRO HB3 H 1 2.406 0.020 . 2 . . . . 815 PRO HB3 . 16396 1 1200 . 1 1 108 108 PRO C C 13 177.397 0.400 . 1 . . . . 815 PRO C . 16396 1 1201 . 1 1 108 108 PRO CA C 13 64.380 0.400 . 1 . . . . 815 PRO CA . 16396 1 1202 . 1 1 108 108 PRO CB C 13 32.349 0.400 . 1 . . . . 815 PRO CB . 16396 1 1203 . 1 1 108 108 PRO CG C 13 27.206 0.400 . 1 . . . . 815 PRO CG . 16396 1 1204 . 1 1 109 109 ASN H H 1 8.108 0.020 . 1 . . . . 816 ASN H . 16396 1 1205 . 1 1 109 109 ASN HA H 1 4.703 0.020 . 1 . . . . 816 ASN HA . 16396 1 1206 . 1 1 109 109 ASN HB2 H 1 2.624 0.020 . 2 . . . . 816 ASN HB2 . 16396 1 1207 . 1 1 109 109 ASN HB3 H 1 2.865 0.020 . 2 . . . . 816 ASN HB3 . 16396 1 1208 . 1 1 109 109 ASN HD21 H 1 7.587 0.020 . 2 . . . . 816 ASN HD21 . 16396 1 1209 . 1 1 109 109 ASN HD22 H 1 6.944 0.020 . 2 . . . . 816 ASN HD22 . 16396 1 1210 . 1 1 109 109 ASN C C 13 175.352 0.400 . 1 . . . . 816 ASN C . 16396 1 1211 . 1 1 109 109 ASN CA C 13 53.549 0.400 . 1 . . . . 816 ASN CA . 16396 1 1212 . 1 1 109 109 ASN CB C 13 38.945 0.400 . 1 . . . . 816 ASN CB . 16396 1 1213 . 1 1 109 109 ASN N N 15 113.849 0.400 . 1 . . . . 816 ASN N . 16396 1 1214 . 1 1 109 109 ASN ND2 N 15 112.502 0.400 . 1 . . . . 816 ASN ND2 . 16396 1 1215 . 1 1 110 110 TYR H H 1 7.835 0.020 . 1 . . . . 817 TYR H . 16396 1 1216 . 1 1 110 110 TYR HA H 1 4.442 0.020 . 1 . . . . 817 TYR HA . 16396 1 1217 . 1 1 110 110 TYR HB2 H 1 3.056 0.020 . 2 . . . . 817 TYR HB2 . 16396 1 1218 . 1 1 110 110 TYR HB3 H 1 3.152 0.020 . 2 . . . . 817 TYR HB3 . 16396 1 1219 . 1 1 110 110 TYR HD1 H 1 7.051 0.020 . 1 . . . . 817 TYR HD1 . 16396 1 1220 . 1 1 110 110 TYR HD2 H 1 7.051 0.020 . 1 . . . . 817 TYR HD2 . 16396 1 1221 . 1 1 110 110 TYR HE1 H 1 6.810 0.020 . 1 . . . . 817 TYR HE1 . 16396 1 1222 . 1 1 110 110 TYR HE2 H 1 6.810 0.020 . 1 . . . . 817 TYR HE2 . 16396 1 1223 . 1 1 110 110 TYR C C 13 174.914 0.400 . 1 . . . . 817 TYR C . 16396 1 1224 . 1 1 110 110 TYR CA C 13 59.070 0.400 . 1 . . . . 817 TYR CA . 16396 1 1225 . 1 1 110 110 TYR CB C 13 39.129 0.400 . 1 . . . . 817 TYR CB . 16396 1 1226 . 1 1 110 110 TYR CD1 C 13 133.010 0.400 . 1 . . . . 817 TYR CD1 . 16396 1 1227 . 1 1 110 110 TYR CE1 C 13 118.598 0.400 . 1 . . . . 817 TYR CE1 . 16396 1 1228 . 1 1 110 110 TYR N N 15 120.103 0.400 . 1 . . . . 817 TYR N . 16396 1 1229 . 1 1 111 111 LEU H H 1 7.677 0.020 . 1 . . . . 818 LEU H . 16396 1 1230 . 1 1 111 111 LEU HA H 1 4.214 0.020 . 1 . . . . 818 LEU HA . 16396 1 1231 . 1 1 111 111 LEU HB2 H 1 1.479 0.020 . 2 . . . . 818 LEU HB2 . 16396 1 1232 . 1 1 111 111 LEU HB3 H 1 1.553 0.020 . 2 . . . . 818 LEU HB3 . 16396 1 1233 . 1 1 111 111 LEU HD11 H 1 0.846 0.020 . 2 . . . . 818 LEU HD1 . 16396 1 1234 . 1 1 111 111 LEU HD12 H 1 0.846 0.020 . 2 . . . . 818 LEU HD1 . 16396 1 1235 . 1 1 111 111 LEU HD13 H 1 0.846 0.020 . 2 . . . . 818 LEU HD1 . 16396 1 1236 . 1 1 111 111 LEU HD21 H 1 0.772 0.020 . 2 . . . . 818 LEU HD2 . 16396 1 1237 . 1 1 111 111 LEU HD22 H 1 0.772 0.020 . 2 . . . . 818 LEU HD2 . 16396 1 1238 . 1 1 111 111 LEU HD23 H 1 0.772 0.020 . 2 . . . . 818 LEU HD2 . 16396 1 1239 . 1 1 111 111 LEU HG H 1 1.374 0.020 . 1 . . . . 818 LEU HG . 16396 1 1240 . 1 1 111 111 LEU C C 13 175.913 0.400 . 1 . . . . 818 LEU C . 16396 1 1241 . 1 1 111 111 LEU CA C 13 54.756 0.400 . 1 . . . . 818 LEU CA . 16396 1 1242 . 1 1 111 111 LEU CB C 13 42.517 0.400 . 1 . . . . 818 LEU CB . 16396 1 1243 . 1 1 111 111 LEU CD1 C 13 25.169 0.400 . 1 . . . . 818 LEU CD1 . 16396 1 1244 . 1 1 111 111 LEU CD2 C 13 23.649 0.400 . 1 . . . . 818 LEU CD2 . 16396 1 1245 . 1 1 111 111 LEU N N 15 123.657 0.400 . 1 . . . . 818 LEU N . 16396 1 1246 . 1 1 112 112 LEU H H 1 7.828 0.020 . 1 . . . . 819 LEU H . 16396 1 1247 . 1 1 112 112 LEU HA H 1 4.307 0.020 . 1 . . . . 819 LEU HA . 16396 1 1248 . 1 1 112 112 LEU HB2 H 1 1.599 0.020 . 2 . . . . 819 LEU HB2 . 16396 1 1249 . 1 1 112 112 LEU HB3 H 1 1.599 0.020 . 2 . . . . 819 LEU HB3 . 16396 1 1250 . 1 1 112 112 LEU C C 13 176.749 0.400 . 1 . . . . 819 LEU C . 16396 1 1251 . 1 1 112 112 LEU CA C 13 55.142 0.400 . 1 . . . . 819 LEU CA . 16396 1 1252 . 1 1 112 112 LEU CB C 13 42.574 0.400 . 1 . . . . 819 LEU CB . 16396 1 1253 . 1 1 112 112 LEU CG C 13 27.309 0.400 . 1 . . . . 819 LEU CG . 16396 1 1254 . 1 1 112 112 LEU N N 15 121.638 0.400 . 1 . . . . 819 LEU N . 16396 1 1255 . 1 1 113 113 GLU H H 1 8.170 0.020 . 1 . . . . 820 GLU H . 16396 1 1256 . 1 1 113 113 GLU HA H 1 4.342 0.020 . 1 . . . . 820 GLU HA . 16396 1 1257 . 1 1 113 113 GLU HB2 H 1 1.905 0.020 . 2 . . . . 820 GLU HB2 . 16396 1 1258 . 1 1 113 113 GLU HB3 H 1 2.091 0.020 . 2 . . . . 820 GLU HB3 . 16396 1 1259 . 1 1 113 113 GLU HG2 H 1 2.240 0.020 . 2 . . . . 820 GLU HG2 . 16396 1 1260 . 1 1 113 113 GLU HG3 H 1 2.240 0.020 . 2 . . . . 820 GLU HG3 . 16396 1 1261 . 1 1 113 113 GLU C C 13 175.078 0.400 . 1 . . . . 820 GLU C . 16396 1 1262 . 1 1 113 113 GLU CA C 13 56.310 0.400 . 1 . . . . 820 GLU CA . 16396 1 1263 . 1 1 113 113 GLU CB C 13 30.930 0.400 . 1 . . . . 820 GLU CB . 16396 1 1264 . 1 1 113 113 GLU CG C 13 36.459 0.400 . 1 . . . . 820 GLU CG . 16396 1 1265 . 1 1 113 113 GLU N N 15 121.337 0.400 . 1 . . . . 820 GLU N . 16396 1 1266 . 1 1 114 114 ASP H H 1 7.930 0.020 . 1 . . . . 821 ASP H . 16396 1 1267 . 1 1 114 114 ASP HA H 1 4.392 0.020 . 1 . . . . 821 ASP HA . 16396 1 1268 . 1 1 114 114 ASP HB2 H 1 2.656 0.020 . 2 . . . . 821 ASP HB2 . 16396 1 1269 . 1 1 114 114 ASP HB3 H 1 2.568 0.020 . 2 . . . . 821 ASP HB3 . 16396 1 1270 . 1 1 114 114 ASP CA C 13 55.988 0.400 . 1 . . . . 821 ASP CA . 16396 1 1271 . 1 1 114 114 ASP CB C 13 42.524 0.400 . 1 . . . . 821 ASP CB . 16396 1 1272 . 1 1 114 114 ASP N N 15 126.219 0.400 . 1 . . . . 821 ASP N . 16396 1 stop_ save_