data_16955 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16955 _Entry.Title ; solution structure of calcium-bound CPV3 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-05-25 _Entry.Accession_date 2010-05-25 _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 'NMR, 20 STRUCTURES' _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 Michael Henzl N. T . 16955 2 John Tanner . J. . 16955 3 Anmin Tan . . . 16955 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 16955 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'EF-hand protein' . 16955 parvalbumin . 16955 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16955 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 429 16955 '15N chemical shifts' 119 16955 '1H chemical shifts' 746 16955 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 4 . . 2012-11-06 2010-05-25 update BMRB 'delete the outliers of residue 95 and 102 PHE 0.00 of HE2 atoms' 16955 3 . . 2012-11-06 2010-05-25 update BMRB 'delete the outliers of residue 91 HIS 0.00 of carbon, nitrogen, and aromatic hydrogen atoms' 16955 2 . . 2012-10-31 2010-05-25 update BMRB 'delete the outliers residues 16, 48, 69, 75 ARG both HE and NE 0.00' 16955 1 . . 2011-05-05 2010-05-25 original author 'original release' 16955 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 16945 'calcium-free CPV3' 16955 PDB 2KYF 'BMRB Entry Tracking System' 16955 stop_ save_ ############### # Citations # ############### save_citations _Citation.Sf_category citations _Citation.Sf_framecode citations _Citation.Entry_ID 16955 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 21287610 _Citation.Full_citation . _Citation.Title 'Solution structures of chicken parvalbumin 3 in the Ca(2+)-free and Ca(2+)-bound states.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Proteins _Citation.Journal_name_full Proteins _Citation.Journal_volume 79 _Citation.Journal_issue 3 _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 752 _Citation.Page_last 764 _Citation.Year 2011 _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 Michael Henzl . T. . 16955 1 2 John Tanner . J. . 16955 1 3 Anmin Tan . . . 16955 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16955 _Assembly.ID 1 _Assembly.Name 'calcium-bound CPV3' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions 1 _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 'calcium-bound CPV3' 1 $ca_bound_CPV3 A . yes native no no . . . 16955 1 2 'calcium ion' 2 $CA A . no native no no . . . 16955 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_ca_bound_CPV3 _Entity.Sf_category entity _Entity.Sf_framecode ca_bound_CPV3 _Entity.Entry_ID 16955 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name ca_bound_CPV3 _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 ; SLTDILSPSDIAAALRDCQA PDSFSPKKFFQISGMSKKSS SQLKEIFRILDNDQSGFIEE DELKYFLQRFESGARVLTAS ETKTFLAAADHDGDGKIGAE EFQEMVQS ; _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 108 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 11972.382 _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 16945 . ca-free_CPV3 . . . . . 100.00 108 100.00 100.00 9.27e-70 . . . . 16955 1 2 no PDB 2KYC . "Solution Structure Of Ca-Free Chicken Parvalbumin 3 (Cpv3)" . . . . . 100.00 108 100.00 100.00 9.27e-70 . . . . 16955 1 3 no PDB 2KYF . "Solution Structure Of Calcium-Bound Cpv3" . . . . . 100.00 108 100.00 100.00 9.27e-70 . . . . 16955 1 4 no GB AAA17518 . "parvalbumin 3 [Gallus gallus]" . . . . . 100.00 109 99.07 99.07 4.70e-69 . . . . 16955 1 5 no GB EOB00975 . "Parvalbumin, thymic CPV3, partial [Anas platyrhynchos]" . . . . . 92.59 101 98.00 99.00 1.21e-62 . . . . 16955 1 6 no GB KFO11064 . "Parvalbumin, thymic CPV3 [Balearica regulorum gibbericeps]" . . . . . 100.00 109 97.22 97.22 2.84e-67 . . . . 16955 1 7 no GB KFO59073 . "Parvalbumin, thymic CPV3 [Corvus brachyrhynchos]" . . . . . 100.00 109 97.22 98.15 4.91e-68 . . . . 16955 1 8 no GB KFO79938 . "Parvalbumin, thymic CPV3 [Cuculus canorus]" . . . . . 100.00 109 99.07 99.07 4.70e-69 . . . . 16955 1 9 no REF NP_989753 . "parvalbumin, thymic CPV3 [Gallus gallus]" . . . . . 100.00 109 99.07 99.07 4.70e-69 . . . . 16955 1 10 no REF XP_002197013 . "PREDICTED: parvalbumin, thymic CPV3 [Taeniopygia guttata]" . . . . . 100.00 109 97.22 98.15 4.91e-68 . . . . 16955 1 11 no REF XP_003210592 . "PREDICTED: parvalbumin, thymic CPV3 [Meleagris gallopavo]" . . . . . 100.00 109 99.07 99.07 4.70e-69 . . . . 16955 1 12 no REF XP_005020103 . "PREDICTED: parvalbumin, thymic CPV3 [Anas platyrhynchos]" . . . . . 100.00 128 98.15 99.07 1.43e-68 . . . . 16955 1 13 no REF XP_005145344 . "PREDICTED: parvalbumin, thymic CPV3 [Melopsittacus undulatus]" . . . . . 100.00 109 97.22 99.07 2.78e-68 . . . . 16955 1 14 no SP P43305 . "RecName: Full=Parvalbumin, thymic CPV3; AltName: Full=Parvalbumin-3" . . . . . 100.00 109 99.07 99.07 4.70e-69 . . . . 16955 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 . SER . 16955 1 2 . LEU . 16955 1 3 . THR . 16955 1 4 . ASP . 16955 1 5 . ILE . 16955 1 6 . LEU . 16955 1 7 . SER . 16955 1 8 . PRO . 16955 1 9 . SER . 16955 1 10 . ASP . 16955 1 11 . ILE . 16955 1 12 . ALA . 16955 1 13 . ALA . 16955 1 14 . ALA . 16955 1 15 . LEU . 16955 1 16 . ARG . 16955 1 17 . ASP . 16955 1 18 . CYS . 16955 1 19 . GLN . 16955 1 20 . ALA . 16955 1 21 . PRO . 16955 1 22 . ASP . 16955 1 23 . SER . 16955 1 24 . PHE . 16955 1 25 . SER . 16955 1 26 . PRO . 16955 1 27 . LYS . 16955 1 28 . LYS . 16955 1 29 . PHE . 16955 1 30 . PHE . 16955 1 31 . GLN . 16955 1 32 . ILE . 16955 1 33 . SER . 16955 1 34 . GLY . 16955 1 35 . MET . 16955 1 36 . SER . 16955 1 37 . LYS . 16955 1 38 . LYS . 16955 1 39 . SER . 16955 1 40 . SER . 16955 1 41 . SER . 16955 1 42 . GLN . 16955 1 43 . LEU . 16955 1 44 . LYS . 16955 1 45 . GLU . 16955 1 46 . ILE . 16955 1 47 . PHE . 16955 1 48 . ARG . 16955 1 49 . ILE . 16955 1 50 . LEU . 16955 1 51 . ASP . 16955 1 52 . ASN . 16955 1 53 . ASP . 16955 1 54 . GLN . 16955 1 55 . SER . 16955 1 56 . GLY . 16955 1 57 . PHE . 16955 1 58 . ILE . 16955 1 59 . GLU . 16955 1 60 . GLU . 16955 1 61 . ASP . 16955 1 62 . GLU . 16955 1 63 . LEU . 16955 1 64 . LYS . 16955 1 65 . TYR . 16955 1 66 . PHE . 16955 1 67 . LEU . 16955 1 68 . GLN . 16955 1 69 . ARG . 16955 1 70 . PHE . 16955 1 71 . GLU . 16955 1 72 . SER . 16955 1 73 . GLY . 16955 1 74 . ALA . 16955 1 75 . ARG . 16955 1 76 . VAL . 16955 1 77 . LEU . 16955 1 78 . THR . 16955 1 79 . ALA . 16955 1 80 . SER . 16955 1 81 . GLU . 16955 1 82 . THR . 16955 1 83 . LYS . 16955 1 84 . THR . 16955 1 85 . PHE . 16955 1 86 . LEU . 16955 1 87 . ALA . 16955 1 88 . ALA . 16955 1 89 . ALA . 16955 1 90 . ASP . 16955 1 91 . HIS . 16955 1 92 . ASP . 16955 1 93 . GLY . 16955 1 94 . ASP . 16955 1 95 . GLY . 16955 1 96 . LYS . 16955 1 97 . ILE . 16955 1 98 . GLY . 16955 1 99 . ALA . 16955 1 100 . GLU . 16955 1 101 . GLU . 16955 1 102 . PHE . 16955 1 103 . GLN . 16955 1 104 . GLU . 16955 1 105 . MET . 16955 1 106 . VAL . 16955 1 107 . GLN . 16955 1 108 . SER . 16955 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 . SER 1 1 16955 1 . LEU 2 2 16955 1 . THR 3 3 16955 1 . ASP 4 4 16955 1 . ILE 5 5 16955 1 . LEU 6 6 16955 1 . SER 7 7 16955 1 . PRO 8 8 16955 1 . SER 9 9 16955 1 . ASP 10 10 16955 1 . ILE 11 11 16955 1 . ALA 12 12 16955 1 . ALA 13 13 16955 1 . ALA 14 14 16955 1 . LEU 15 15 16955 1 . ARG 16 16 16955 1 . ASP 17 17 16955 1 . CYS 18 18 16955 1 . GLN 19 19 16955 1 . ALA 20 20 16955 1 . PRO 21 21 16955 1 . ASP 22 22 16955 1 . SER 23 23 16955 1 . PHE 24 24 16955 1 . SER 25 25 16955 1 . PRO 26 26 16955 1 . LYS 27 27 16955 1 . LYS 28 28 16955 1 . PHE 29 29 16955 1 . PHE 30 30 16955 1 . GLN 31 31 16955 1 . ILE 32 32 16955 1 . SER 33 33 16955 1 . GLY 34 34 16955 1 . MET 35 35 16955 1 . SER 36 36 16955 1 . LYS 37 37 16955 1 . LYS 38 38 16955 1 . SER 39 39 16955 1 . SER 40 40 16955 1 . SER 41 41 16955 1 . GLN 42 42 16955 1 . LEU 43 43 16955 1 . LYS 44 44 16955 1 . GLU 45 45 16955 1 . ILE 46 46 16955 1 . PHE 47 47 16955 1 . ARG 48 48 16955 1 . ILE 49 49 16955 1 . LEU 50 50 16955 1 . ASP 51 51 16955 1 . ASN 52 52 16955 1 . ASP 53 53 16955 1 . GLN 54 54 16955 1 . SER 55 55 16955 1 . GLY 56 56 16955 1 . PHE 57 57 16955 1 . ILE 58 58 16955 1 . GLU 59 59 16955 1 . GLU 60 60 16955 1 . ASP 61 61 16955 1 . GLU 62 62 16955 1 . LEU 63 63 16955 1 . LYS 64 64 16955 1 . TYR 65 65 16955 1 . PHE 66 66 16955 1 . LEU 67 67 16955 1 . GLN 68 68 16955 1 . ARG 69 69 16955 1 . PHE 70 70 16955 1 . GLU 71 71 16955 1 . SER 72 72 16955 1 . GLY 73 73 16955 1 . ALA 74 74 16955 1 . ARG 75 75 16955 1 . VAL 76 76 16955 1 . LEU 77 77 16955 1 . THR 78 78 16955 1 . ALA 79 79 16955 1 . SER 80 80 16955 1 . GLU 81 81 16955 1 . THR 82 82 16955 1 . LYS 83 83 16955 1 . THR 84 84 16955 1 . PHE 85 85 16955 1 . LEU 86 86 16955 1 . ALA 87 87 16955 1 . ALA 88 88 16955 1 . ALA 89 89 16955 1 . ASP 90 90 16955 1 . HIS 91 91 16955 1 . ASP 92 92 16955 1 . GLY 93 93 16955 1 . ASP 94 94 16955 1 . GLY 95 95 16955 1 . LYS 96 96 16955 1 . ILE 97 97 16955 1 . GLY 98 98 16955 1 . ALA 99 99 16955 1 . GLU 100 100 16955 1 . GLU 101 101 16955 1 . PHE 102 102 16955 1 . GLN 103 103 16955 1 . GLU 104 104 16955 1 . MET 105 105 16955 1 . VAL 106 106 16955 1 . GLN 107 107 16955 1 . SER 108 108 16955 1 stop_ save_ save_CA _Entity.Sf_category entity _Entity.Sf_framecode CA _Entity.Entry_ID 16955 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name CA _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _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 . _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID CA _Entity.Nonpolymer_comp_label $chem_comp_CA _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . CA . 16955 2 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 16955 _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 $ca_bound_CPV3 . 9031 organism . 'Gallus gallus' chicken . . Eukaryota Metazoa Gallus gallus . . . . . . . . . . . . . . . . . . . . . 16955 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 16955 _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 $ca_bound_CPV3 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET11 . . . . . . 16955 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_CA _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_CA _Chem_comp.Entry_ID 16955 _Chem_comp.ID CA _Chem_comp.Provenance . _Chem_comp.Name 'CALCIUM ION' _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code CA _Chem_comp.Ambiguous_flag . _Chem_comp.Initial_date . _Chem_comp.Modified_date . _Chem_comp.Release_status . _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code CA _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 2 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula Ca _Chem_comp.Formula_weight 40.078 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 13:21:54 2009 ; _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID BHPQYMZQTOCNFJ-UHFFFAOYAP InChIKey InChI 1.02b 16955 CA [Ca++] SMILES CACTVS 3.341 16955 CA [Ca++] SMILES_CANONICAL CACTVS 3.341 16955 CA [Ca+2] SMILES ACDLabs 10.04 16955 CA [Ca+2] SMILES 'OpenEye OEToolkits' 1.5.0 16955 CA [Ca+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 16955 CA InChI=1/Ca/q+2 InChI InChI 1.02b 16955 CA stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID calcium 'SYSTEMATIC NAME' ACDLabs 10.04 16955 CA 'calcium(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 16955 CA stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID CA . CA . . CA . . N 2 . . . . . . . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 . . 16955 CA stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16955 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.15 M NaCl, 0.01 M Mes, pH 6.0, 0.1 mM Ca2+' _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 'ca-bound CPV3' 'natural abundance' . . 1 $ca_bound_CPV3 . . 3.0 . . mM 0.25 . . . 16955 1 2 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM 3.0 . . . 16955 1 3 MES 'natural abundance' . . . . . . 10 . . mM 0.2 . . . 16955 1 4 'calcium chloride (free)' 'natural abundance' . . 2 $CA . . 0.1 . . mM 0.002 . . . 16955 1 5 D2O 'natural abundance' . . . . . . 10 . . % 1 . . . 16955 1 6 'sodium azide' 'natural abundance' . . . . . . 0.1 . . % 0.01 . . . 16955 1 7 H2O 'natural abundance' . . . . . . 90 . . % 1 . . . 16955 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 16955 _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' 0.165 . M 16955 1 pH 6.0 . pH 16955 1 pressure 1 . atm 16955 1 temperature 293 . K 16955 1 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 16955 _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' . . 16955 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 16955 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 16955 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Inova _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 16955 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian Inova . 600 . . . 16955 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 16955 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16955 1 2 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16955 1 3 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16955 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16955 1 5 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16955 1 6 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16955 1 7 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16955 1 8 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16955 1 9 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16955 1 10 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16955 1 11 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16955 1 12 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16955 1 13 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16955 1 14 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16955 1 15 '2D HBCBCGCDHD' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16955 1 16 '2D HBCBCGCDCEHE' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16955 1 17 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16955 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 16955 _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 . . . . . . . . . 16955 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 16955 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 16955 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 16955 _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 2 '2D 1H-15N HSQC' . . . 16955 1 4 '3D CBCA(CO)NH' . . . 16955 1 5 '3D HNCACB' . . . 16955 1 6 '3D HNCA' . . . 16955 1 7 '3D HN(CO)CA' . . . 16955 1 8 '3D HNCO' . . . 16955 1 9 '3D HN(CA)CO' . . . 16955 1 10 '3D C(CO)NH' . . . 16955 1 11 '3D HBHA(CO)NH' . . . 16955 1 12 '3D H(CCO)NH' . . . 16955 1 13 '3D HCCH-TOCSY' . . . 16955 1 14 '3D 1H-15N TOCSY' . . . 16955 1 15 '2D HBCBCGCDHD' . . . 16955 1 16 '2D HBCBCGCDCEHE' . . . 16955 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 2 2 LEU HA H 1 3.996 0.020 . 1 . . . . 2 LEU HA . 16955 1 2 . 1 1 2 2 LEU HB2 H 1 1.744 0.020 . 2 . . . . 2 LEU HB2 . 16955 1 3 . 1 1 2 2 LEU HB3 H 1 1.520 0.020 . 2 . . . . 2 LEU HB3 . 16955 1 4 . 1 1 2 2 LEU HD11 H 1 0.371 0.020 . 1 . . . . 2 LEU HD11 . 16955 1 5 . 1 1 2 2 LEU HD12 H 1 0.371 0.020 . 1 . . . . 2 LEU HD12 . 16955 1 6 . 1 1 2 2 LEU HD13 H 1 0.371 0.020 . 1 . . . . 2 LEU HD13 . 16955 1 7 . 1 1 2 2 LEU HD21 H 1 0.685 0.020 . 1 . . . . 2 LEU HD21 . 16955 1 8 . 1 1 2 2 LEU HD22 H 1 0.685 0.020 . 1 . . . . 2 LEU HD22 . 16955 1 9 . 1 1 2 2 LEU HD23 H 1 0.685 0.020 . 1 . . . . 2 LEU HD23 . 16955 1 10 . 1 1 2 2 LEU HG H 1 1.598 0.020 . 1 . . . . 2 LEU HG . 16955 1 11 . 1 1 2 2 LEU C C 13 178.700 0.400 . 1 . . . . 2 LEU C . 16955 1 12 . 1 1 2 2 LEU CA C 13 58.788 0.400 . 1 . . . . 2 LEU CA . 16955 1 13 . 1 1 2 2 LEU CB C 13 41.750 0.400 . 1 . . . . 2 LEU CB . 16955 1 14 . 1 1 2 2 LEU CD1 C 13 25.260 0.400 . 1 . . . . 2 LEU CD1 . 16955 1 15 . 1 1 2 2 LEU CD2 C 13 24.330 0.400 . 1 . . . . 2 LEU CD2 . 16955 1 16 . 1 1 2 2 LEU CG C 13 27.200 0.400 . 1 . . . . 2 LEU CG . 16955 1 17 . 1 1 3 3 THR H H 1 7.774 0.020 . 1 . . . . 3 THR H . 16955 1 18 . 1 1 3 3 THR HA H 1 4.530 0.020 . 1 . . . . 3 THR HA . 16955 1 19 . 1 1 3 3 THR HB H 1 4.760 0.020 . 1 . . . . 3 THR HB . 16955 1 20 . 1 1 3 3 THR HG21 H 1 1.259 0.020 . 1 . . . . 3 THR HG21 . 16955 1 21 . 1 1 3 3 THR HG22 H 1 1.259 0.020 . 1 . . . . 3 THR HG22 . 16955 1 22 . 1 1 3 3 THR HG23 H 1 1.259 0.020 . 1 . . . . 3 THR HG23 . 16955 1 23 . 1 1 3 3 THR C C 13 174.800 0.400 . 1 . . . . 3 THR C . 16955 1 24 . 1 1 3 3 THR CA C 13 63.200 0.400 . 1 . . . . 3 THR CA . 16955 1 25 . 1 1 3 3 THR CB C 13 68.100 0.400 . 1 . . . . 3 THR CB . 16955 1 26 . 1 1 3 3 THR CG2 C 13 22.300 0.400 . 1 . . . . 3 THR CG2 . 16955 1 27 . 1 1 3 3 THR N N 15 106.583 0.400 . 1 . . . . 3 THR N . 16955 1 28 . 1 1 4 4 ASP H H 1 7.570 0.020 . 1 . . . . 4 ASP H . 16955 1 29 . 1 1 4 4 ASP HA H 1 4.730 0.020 . 1 . . . . 4 ASP HA . 16955 1 30 . 1 1 4 4 ASP HB2 H 1 2.799 0.020 . 2 . . . . 4 ASP HB2 . 16955 1 31 . 1 1 4 4 ASP HB3 H 1 2.794 0.020 . 2 . . . . 4 ASP HB3 . 16955 1 32 . 1 1 4 4 ASP C C 13 176.400 0.400 . 1 . . . . 4 ASP C . 16955 1 33 . 1 1 4 4 ASP CA C 13 55.620 0.400 . 1 . . . . 4 ASP CA . 16955 1 34 . 1 1 4 4 ASP CB C 13 41.520 0.400 . 1 . . . . 4 ASP CB . 16955 1 35 . 1 1 4 4 ASP N N 15 118.498 0.400 . 1 . . . . 4 ASP N . 16955 1 36 . 1 1 5 5 ILE H H 1 7.448 0.020 . 1 . . . . 5 ILE H . 16955 1 37 . 1 1 5 5 ILE HA H 1 3.975 0.020 . 1 . . . . 5 ILE HA . 16955 1 38 . 1 1 5 5 ILE HB H 1 1.818 0.020 . 1 . . . . 5 ILE HB . 16955 1 39 . 1 1 5 5 ILE HD11 H 1 0.879 0.020 . 1 . . . . 5 ILE HD11 . 16955 1 40 . 1 1 5 5 ILE HD12 H 1 0.879 0.020 . 1 . . . . 5 ILE HD12 . 16955 1 41 . 1 1 5 5 ILE HD13 H 1 0.879 0.020 . 1 . . . . 5 ILE HD13 . 16955 1 42 . 1 1 5 5 ILE HG12 H 1 1.040 0.020 . 2 . . . . 5 ILE HG12 . 16955 1 43 . 1 1 5 5 ILE HG13 H 1 1.730 0.020 . 2 . . . . 5 ILE HG13 . 16955 1 44 . 1 1 5 5 ILE HG21 H 1 0.927 0.020 . 1 . . . . 5 ILE HG21 . 16955 1 45 . 1 1 5 5 ILE HG22 H 1 0.927 0.020 . 1 . . . . 5 ILE HG22 . 16955 1 46 . 1 1 5 5 ILE HG23 H 1 0.927 0.020 . 1 . . . . 5 ILE HG23 . 16955 1 47 . 1 1 5 5 ILE C C 13 174.400 0.400 . 1 . . . . 5 ILE C . 16955 1 48 . 1 1 5 5 ILE CA C 13 63.320 0.400 . 1 . . . . 5 ILE CA . 16955 1 49 . 1 1 5 5 ILE CB C 13 41.140 0.400 . 1 . . . . 5 ILE CB . 16955 1 50 . 1 1 5 5 ILE CD1 C 13 14.100 0.400 . 1 . . . . 5 ILE CD1 . 16955 1 51 . 1 1 5 5 ILE CG1 C 13 27.770 0.400 . 1 . . . . 5 ILE CG1 . 16955 1 52 . 1 1 5 5 ILE CG2 C 13 18.100 0.400 . 1 . . . . 5 ILE CG2 . 16955 1 53 . 1 1 5 5 ILE N N 15 119.244 0.400 . 1 . . . . 5 ILE N . 16955 1 54 . 1 1 6 6 LEU H H 1 8.041 0.020 . 1 . . . . 6 LEU H . 16955 1 55 . 1 1 6 6 LEU HA H 1 4.705 0.020 . 1 . . . . 6 LEU HA . 16955 1 56 . 1 1 6 6 LEU HB2 H 1 1.590 0.020 . 2 . . . . 6 LEU HB2 . 16955 1 57 . 1 1 6 6 LEU HB3 H 1 1.590 0.020 . 2 . . . . 6 LEU HB3 . 16955 1 58 . 1 1 6 6 LEU HD11 H 1 1.122 0.020 . 1 . . . . 6 LEU HD11 . 16955 1 59 . 1 1 6 6 LEU HD12 H 1 1.122 0.020 . 1 . . . . 6 LEU HD12 . 16955 1 60 . 1 1 6 6 LEU HD13 H 1 1.122 0.020 . 1 . . . . 6 LEU HD13 . 16955 1 61 . 1 1 6 6 LEU HD21 H 1 0.859 0.020 . 1 . . . . 6 LEU HD21 . 16955 1 62 . 1 1 6 6 LEU HD22 H 1 0.859 0.020 . 1 . . . . 6 LEU HD22 . 16955 1 63 . 1 1 6 6 LEU HD23 H 1 0.859 0.020 . 1 . . . . 6 LEU HD23 . 16955 1 64 . 1 1 6 6 LEU HG H 1 1.740 0.020 . 1 . . . . 6 LEU HG . 16955 1 65 . 1 1 6 6 LEU C C 13 175.400 0.400 . 1 . . . . 6 LEU C . 16955 1 66 . 1 1 6 6 LEU CA C 13 51.830 0.400 . 1 . . . . 6 LEU CA . 16955 1 67 . 1 1 6 6 LEU CB C 13 43.380 0.400 . 1 . . . . 6 LEU CB . 16955 1 68 . 1 1 6 6 LEU CD1 C 13 26.600 0.400 . 1 . . . . 6 LEU CD1 . 16955 1 69 . 1 1 6 6 LEU CD2 C 13 22.000 0.400 . 1 . . . . 6 LEU CD2 . 16955 1 70 . 1 1 6 6 LEU CG C 13 27.400 0.400 . 1 . . . . 6 LEU CG . 16955 1 71 . 1 1 6 6 LEU N N 15 117.174 0.400 . 1 . . . . 6 LEU N . 16955 1 72 . 1 1 7 7 SER H H 1 8.702 0.020 . 1 . . . . 7 SER H . 16955 1 73 . 1 1 7 7 SER HA H 1 4.890 0.020 . 1 . . . . 7 SER HA . 16955 1 74 . 1 1 7 7 SER HB2 H 1 4.070 0.020 . 2 . . . . 7 SER HB2 . 16955 1 75 . 1 1 7 7 SER HB3 H 1 3.913 0.020 . 2 . . . . 7 SER HB3 . 16955 1 76 . 1 1 7 7 SER C C 13 175.400 0.400 . 1 . . . . 7 SER C . 16955 1 77 . 1 1 7 7 SER CA C 13 55.180 0.400 . 1 . . . . 7 SER CA . 16955 1 78 . 1 1 7 7 SER CB C 13 63.610 0.400 . 1 . . . . 7 SER CB . 16955 1 79 . 1 1 7 7 SER N N 15 115.268 0.400 . 1 . . . . 7 SER N . 16955 1 80 . 1 1 8 8 PRO HA H 1 4.248 0.020 . 1 . . . . 8 PRO HA . 16955 1 81 . 1 1 8 8 PRO HB2 H 1 2.084 0.020 . 2 . . . . 8 PRO HB2 . 16955 1 82 . 1 1 8 8 PRO HB3 H 1 2.493 0.020 . 2 . . . . 8 PRO HB3 . 16955 1 83 . 1 1 8 8 PRO HD2 H 1 4.320 0.020 . 2 . . . . 8 PRO HD2 . 16955 1 84 . 1 1 8 8 PRO HD3 H 1 4.040 0.020 . 2 . . . . 8 PRO HD3 . 16955 1 85 . 1 1 8 8 PRO HG2 H 1 2.320 0.020 . 2 . . . . 8 PRO HG2 . 16955 1 86 . 1 1 8 8 PRO HG3 H 1 2.320 0.020 . 2 . . . . 8 PRO HG3 . 16955 1 87 . 1 1 8 8 PRO C C 13 179.300 0.400 . 1 . . . . 8 PRO C . 16955 1 88 . 1 1 8 8 PRO CA C 13 65.590 0.400 . 1 . . . . 8 PRO CA . 16955 1 89 . 1 1 8 8 PRO CB C 13 32.410 0.400 . 1 . . . . 8 PRO CB . 16955 1 90 . 1 1 8 8 PRO CD C 13 51.270 0.400 . 1 . . . . 8 PRO CD . 16955 1 91 . 1 1 8 8 PRO CG C 13 27.770 0.400 . 1 . . . . 8 PRO CG . 16955 1 92 . 1 1 9 9 SER H H 1 8.212 0.020 . 1 . . . . 9 SER H . 16955 1 93 . 1 1 9 9 SER HA H 1 4.261 0.020 . 1 . . . . 9 SER HA . 16955 1 94 . 1 1 9 9 SER HB2 H 1 3.845 0.020 . 2 . . . . 9 SER HB2 . 16955 1 95 . 1 1 9 9 SER HB3 H 1 3.845 0.020 . 2 . . . . 9 SER HB3 . 16955 1 96 . 1 1 9 9 SER C C 13 177.100 0.400 . 1 . . . . 9 SER C . 16955 1 97 . 1 1 9 9 SER CA C 13 61.310 0.400 . 1 . . . . 9 SER CA . 16955 1 98 . 1 1 9 9 SER CB C 13 62.250 0.400 . 1 . . . . 9 SER CB . 16955 1 99 . 1 1 9 9 SER N N 15 113.019 0.400 . 1 . . . . 9 SER N . 16955 1 100 . 1 1 10 10 ASP H H 1 7.340 0.020 . 1 . . . . 10 ASP H . 16955 1 101 . 1 1 10 10 ASP HA H 1 4.475 0.020 . 1 . . . . 10 ASP HA . 16955 1 102 . 1 1 10 10 ASP HB2 H 1 2.821 0.020 . 2 . . . . 10 ASP HB2 . 16955 1 103 . 1 1 10 10 ASP HB3 H 1 3.129 0.020 . 2 . . . . 10 ASP HB3 . 16955 1 104 . 1 1 10 10 ASP C C 13 178.400 0.400 . 1 . . . . 10 ASP C . 16955 1 105 . 1 1 10 10 ASP CA C 13 57.120 0.400 . 1 . . . . 10 ASP CA . 16955 1 106 . 1 1 10 10 ASP CB C 13 39.560 0.400 . 1 . . . . 10 ASP CB . 16955 1 107 . 1 1 10 10 ASP N N 15 125.331 0.400 . 1 . . . . 10 ASP N . 16955 1 108 . 1 1 11 11 ILE H H 1 8.064 0.020 . 1 . . . . 11 ILE H . 16955 1 109 . 1 1 11 11 ILE HA H 1 3.156 0.020 . 1 . . . . 11 ILE HA . 16955 1 110 . 1 1 11 11 ILE HB H 1 1.927 0.020 . 1 . . . . 11 ILE HB . 16955 1 111 . 1 1 11 11 ILE HD11 H 1 0.958 0.020 . 1 . . . . 11 ILE HD11 . 16955 1 112 . 1 1 11 11 ILE HD12 H 1 0.958 0.020 . 1 . . . . 11 ILE HD12 . 16955 1 113 . 1 1 11 11 ILE HD13 H 1 0.958 0.020 . 1 . . . . 11 ILE HD13 . 16955 1 114 . 1 1 11 11 ILE HG12 H 1 0.906 0.020 . 2 . . . . 11 ILE HG12 . 16955 1 115 . 1 1 11 11 ILE HG13 H 1 1.852 0.020 . 2 . . . . 11 ILE HG13 . 16955 1 116 . 1 1 11 11 ILE HG21 H 1 1.044 0.020 . 1 . . . . 11 ILE HG21 . 16955 1 117 . 1 1 11 11 ILE HG22 H 1 1.044 0.020 . 1 . . . . 11 ILE HG22 . 16955 1 118 . 1 1 11 11 ILE HG23 H 1 1.044 0.020 . 1 . . . . 11 ILE HG23 . 16955 1 119 . 1 1 11 11 ILE C C 13 177.200 0.400 . 1 . . . . 11 ILE C . 16955 1 120 . 1 1 11 11 ILE CA C 13 66.230 0.400 . 1 . . . . 11 ILE CA . 16955 1 121 . 1 1 11 11 ILE CB C 13 38.520 0.400 . 1 . . . . 11 ILE CB . 16955 1 122 . 1 1 11 11 ILE CD1 C 13 14.100 0.400 . 1 . . . . 11 ILE CD1 . 16955 1 123 . 1 1 11 11 ILE CG1 C 13 29.540 0.400 . 1 . . . . 11 ILE CG1 . 16955 1 124 . 1 1 11 11 ILE CG2 C 13 18.200 0.400 . 1 . . . . 11 ILE CG2 . 16955 1 125 . 1 1 11 11 ILE N N 15 120.463 0.400 . 1 . . . . 11 ILE N . 16955 1 126 . 1 1 12 12 ALA H H 1 8.075 0.020 . 1 . . . . 12 ALA H . 16955 1 127 . 1 1 12 12 ALA HA H 1 4.023 0.020 . 1 . . . . 12 ALA HA . 16955 1 128 . 1 1 12 12 ALA HB1 H 1 1.470 0.020 . 1 . . . . 12 ALA HB1 . 16955 1 129 . 1 1 12 12 ALA HB2 H 1 1.470 0.020 . 1 . . . . 12 ALA HB2 . 16955 1 130 . 1 1 12 12 ALA HB3 H 1 1.470 0.020 . 1 . . . . 12 ALA HB3 . 16955 1 131 . 1 1 12 12 ALA C C 13 180.800 0.400 . 1 . . . . 12 ALA C . 16955 1 132 . 1 1 12 12 ALA CA C 13 55.310 0.400 . 1 . . . . 12 ALA CA . 16955 1 133 . 1 1 12 12 ALA CB C 13 17.830 0.400 . 1 . . . . 12 ALA CB . 16955 1 134 . 1 1 12 12 ALA N N 15 119.742 0.400 . 1 . . . . 12 ALA N . 16955 1 135 . 1 1 13 13 ALA H H 1 7.738 0.020 . 1 . . . . 13 ALA H . 16955 1 136 . 1 1 13 13 ALA HA H 1 3.975 0.020 . 1 . . . . 13 ALA HA . 16955 1 137 . 1 1 13 13 ALA HB1 H 1 1.422 0.020 . 1 . . . . 13 ALA HB1 . 16955 1 138 . 1 1 13 13 ALA HB2 H 1 1.422 0.020 . 1 . . . . 13 ALA HB2 . 16955 1 139 . 1 1 13 13 ALA HB3 H 1 1.422 0.020 . 1 . . . . 13 ALA HB3 . 16955 1 140 . 1 1 13 13 ALA C C 13 180.100 0.400 . 1 . . . . 13 ALA C . 16955 1 141 . 1 1 13 13 ALA CA C 13 54.990 0.400 . 1 . . . . 13 ALA CA . 16955 1 142 . 1 1 13 13 ALA CB C 13 17.880 0.400 . 1 . . . . 13 ALA CB . 16955 1 143 . 1 1 13 13 ALA N N 15 120.669 0.400 . 1 . . . . 13 ALA N . 16955 1 144 . 1 1 14 14 ALA H H 1 8.079 0.020 . 1 . . . . 14 ALA H . 16955 1 145 . 1 1 14 14 ALA HA H 1 3.681 0.020 . 1 . . . . 14 ALA HA . 16955 1 146 . 1 1 14 14 ALA HB1 H 1 0.644 0.020 . 1 . . . . 14 ALA HB1 . 16955 1 147 . 1 1 14 14 ALA HB2 H 1 0.644 0.020 . 1 . . . . 14 ALA HB2 . 16955 1 148 . 1 1 14 14 ALA HB3 H 1 0.644 0.020 . 1 . . . . 14 ALA HB3 . 16955 1 149 . 1 1 14 14 ALA C C 13 180.100 0.400 . 1 . . . . 14 ALA C . 16955 1 150 . 1 1 14 14 ALA CA C 13 55.010 0.400 . 1 . . . . 14 ALA CA . 16955 1 151 . 1 1 14 14 ALA CB C 13 17.720 0.400 . 1 . . . . 14 ALA CB . 16955 1 152 . 1 1 14 14 ALA N N 15 124.507 0.400 . 1 . . . . 14 ALA N . 16955 1 153 . 1 1 15 15 LEU H H 1 8.352 0.020 . 1 . . . . 15 LEU H . 16955 1 154 . 1 1 15 15 LEU HA H 1 4.227 0.020 . 1 . . . . 15 LEU HA . 16955 1 155 . 1 1 15 15 LEU HB2 H 1 1.921 0.020 . 2 . . . . 15 LEU HB2 . 16955 1 156 . 1 1 15 15 LEU HB3 H 1 1.538 0.020 . 2 . . . . 15 LEU HB3 . 16955 1 157 . 1 1 15 15 LEU HD11 H 1 0.934 0.020 . 1 . . . . 15 LEU HD11 . 16955 1 158 . 1 1 15 15 LEU HD12 H 1 0.934 0.020 . 1 . . . . 15 LEU HD12 . 16955 1 159 . 1 1 15 15 LEU HD13 H 1 0.934 0.020 . 1 . . . . 15 LEU HD13 . 16955 1 160 . 1 1 15 15 LEU HD21 H 1 1.027 0.020 . 1 . . . . 15 LEU HD21 . 16955 1 161 . 1 1 15 15 LEU HD22 H 1 1.027 0.020 . 1 . . . . 15 LEU HD22 . 16955 1 162 . 1 1 15 15 LEU HD23 H 1 1.027 0.020 . 1 . . . . 15 LEU HD23 . 16955 1 163 . 1 1 15 15 LEU HG H 1 1.860 0.020 . 1 . . . . 15 LEU HG . 16955 1 164 . 1 1 15 15 LEU C C 13 180.300 0.400 . 1 . . . . 15 LEU C . 16955 1 165 . 1 1 15 15 LEU CA C 13 57.470 0.400 . 1 . . . . 15 LEU CA . 16955 1 166 . 1 1 15 15 LEU CB C 13 41.580 0.400 . 1 . . . . 15 LEU CB . 16955 1 167 . 1 1 15 15 LEU CD1 C 13 27.600 0.400 . 1 . . . . 15 LEU CD1 . 16955 1 168 . 1 1 15 15 LEU CD2 C 13 24.800 0.400 . 1 . . . . 15 LEU CD2 . 16955 1 169 . 1 1 15 15 LEU CG C 13 27.510 0.400 . 1 . . . . 15 LEU CG . 16955 1 170 . 1 1 15 15 LEU N N 15 118.859 0.400 . 1 . . . . 15 LEU N . 16955 1 171 . 1 1 16 16 ARG H H 1 8.237 0.020 . 1 . . . . 16 ARG H . 16955 1 172 . 1 1 16 16 ARG HA H 1 4.084 0.020 . 1 . . . . 16 ARG HA . 16955 1 173 . 1 1 16 16 ARG HB2 H 1 1.893 0.020 . 2 . . . . 16 ARG HB2 . 16955 1 174 . 1 1 16 16 ARG HB3 H 1 1.893 0.020 . 2 . . . . 16 ARG HB3 . 16955 1 175 . 1 1 16 16 ARG HD2 H 1 3.217 0.020 . 2 . . . . 16 ARG HD2 . 16955 1 176 . 1 1 16 16 ARG HD3 H 1 3.217 0.020 . 2 . . . . 16 ARG HD3 . 16955 1 177 . 1 1 16 16 ARG HG2 H 1 1.770 0.020 . 2 . . . . 16 ARG HG2 . 16955 1 178 . 1 1 16 16 ARG HG3 H 1 1.601 0.020 . 2 . . . . 16 ARG HG3 . 16955 1 179 . 1 1 16 16 ARG HH11 H 1 7.341 0.020 . 2 . . . . 16 ARG HH11 . 16955 1 180 . 1 1 16 16 ARG HH12 H 1 7.341 0.020 . 2 . . . . 16 ARG HH12 . 16955 1 181 . 1 1 16 16 ARG HH21 H 1 7.202 0.020 . 2 . . . . 16 ARG HH21 . 16955 1 182 . 1 1 16 16 ARG HH22 H 1 7.202 0.020 . 2 . . . . 16 ARG HH22 . 16955 1 183 . 1 1 16 16 ARG C C 13 179.200 0.400 . 1 . . . . 16 ARG C . 16955 1 184 . 1 1 16 16 ARG CA C 13 59.270 0.400 . 1 . . . . 16 ARG CA . 16955 1 185 . 1 1 16 16 ARG CB C 13 30.110 0.400 . 1 . . . . 16 ARG CB . 16955 1 186 . 1 1 16 16 ARG CD C 13 43.400 0.400 . 1 . . . . 16 ARG CD . 16955 1 187 . 1 1 16 16 ARG CG C 13 27.560 0.400 . 1 . . . . 16 ARG CG . 16955 1 188 . 1 1 16 16 ARG N N 15 120.716 0.400 . 1 . . . . 16 ARG N . 16955 1 189 . 1 1 16 16 ARG NH1 N 15 114.200 0.400 . 1 . . . . 16 ARG NH1 . 16955 1 190 . 1 1 16 16 ARG NH2 N 15 114.200 0.400 . 1 . . . . 16 ARG NH2 . 16955 1 191 . 1 1 17 17 ASP H H 1 7.497 0.020 . 1 . . . . 17 ASP H . 16955 1 192 . 1 1 17 17 ASP HA H 1 4.446 0.020 . 1 . . . . 17 ASP HA . 16955 1 193 . 1 1 17 17 ASP HB2 H 1 2.668 0.020 . 2 . . . . 17 ASP HB2 . 16955 1 194 . 1 1 17 17 ASP HB3 H 1 2.552 0.020 . 2 . . . . 17 ASP HB3 . 16955 1 195 . 1 1 17 17 ASP C C 13 175.900 0.400 . 1 . . . . 17 ASP C . 16955 1 196 . 1 1 17 17 ASP CA C 13 56.730 0.400 . 1 . . . . 17 ASP CA . 16955 1 197 . 1 1 17 17 ASP CB C 13 43.110 0.400 . 1 . . . . 17 ASP CB . 16955 1 198 . 1 1 17 17 ASP N N 15 116.941 0.400 . 1 . . . . 17 ASP N . 16955 1 199 . 1 1 18 18 CYS H H 1 7.312 0.020 . 1 . . . . 18 CYS H . 16955 1 200 . 1 1 18 18 CYS HA H 1 5.695 0.020 . 1 . . . . 18 CYS HA . 16955 1 201 . 1 1 18 18 CYS HB2 H 1 3.238 0.020 . 2 . . . . 18 CYS HB2 . 16955 1 202 . 1 1 18 18 CYS HB3 H 1 2.944 0.020 . 2 . . . . 18 CYS HB3 . 16955 1 203 . 1 1 18 18 CYS C C 13 175.001 0.400 . 1 . . . . 18 CYS C . 16955 1 204 . 1 1 18 18 CYS CA C 13 55.100 0.400 . 1 . . . . 18 CYS CA . 16955 1 205 . 1 1 18 18 CYS CB C 13 27.980 0.400 . 1 . . . . 18 CYS CB . 16955 1 206 . 1 1 18 18 CYS N N 15 110.205 0.400 . 1 . . . . 18 CYS N . 16955 1 207 . 1 1 19 19 GLN H H 1 7.128 0.020 . 1 . . . . 19 GLN H . 16955 1 208 . 1 1 19 19 GLN HA H 1 4.152 0.020 . 1 . . . . 19 GLN HA . 16955 1 209 . 1 1 19 19 GLN HB2 H 1 2.091 0.020 . 2 . . . . 19 GLN HB2 . 16955 1 210 . 1 1 19 19 GLN HB3 H 1 2.276 0.020 . 2 . . . . 19 GLN HB3 . 16955 1 211 . 1 1 19 19 GLN HE21 H 1 7.599 0.020 . 2 . . . . 19 GLN HE21 . 16955 1 212 . 1 1 19 19 GLN HE22 H 1 6.867 0.020 . 2 . . . . 19 GLN HE22 . 16955 1 213 . 1 1 19 19 GLN HG2 H 1 2.446 0.020 . 2 . . . . 19 GLN HG2 . 16955 1 214 . 1 1 19 19 GLN HG3 H 1 2.552 0.020 . 2 . . . . 19 GLN HG3 . 16955 1 215 . 1 1 19 19 GLN C C 13 176.800 0.400 . 1 . . . . 19 GLN C . 16955 1 216 . 1 1 19 19 GLN CA C 13 59.460 0.400 . 1 . . . . 19 GLN CA . 16955 1 217 . 1 1 19 19 GLN CB C 13 29.190 0.400 . 1 . . . . 19 GLN CB . 16955 1 218 . 1 1 19 19 GLN CG C 13 33.970 0.400 . 1 . . . . 19 GLN CG . 16955 1 219 . 1 1 19 19 GLN N N 15 122.548 0.400 . 1 . . . . 19 GLN N . 16955 1 220 . 1 1 19 19 GLN NE2 N 15 111.500 0.400 . 1 . . . . 19 GLN NE2 . 16955 1 221 . 1 1 20 20 ALA H H 1 8.319 0.020 . 1 . . . . 20 ALA H . 16955 1 222 . 1 1 20 20 ALA HA H 1 4.630 0.020 . 1 . . . . 20 ALA HA . 16955 1 223 . 1 1 20 20 ALA HB1 H 1 1.300 0.020 . 1 . . . . 20 ALA HB1 . 16955 1 224 . 1 1 20 20 ALA HB2 H 1 1.300 0.020 . 1 . . . . 20 ALA HB2 . 16955 1 225 . 1 1 20 20 ALA HB3 H 1 1.300 0.020 . 1 . . . . 20 ALA HB3 . 16955 1 226 . 1 1 20 20 ALA C C 13 176.300 0.400 . 1 . . . . 20 ALA C . 16955 1 227 . 1 1 20 20 ALA CA C 13 50.240 0.400 . 1 . . . . 20 ALA CA . 16955 1 228 . 1 1 20 20 ALA CB C 13 17.700 0.400 . 1 . . . . 20 ALA CB . 16955 1 229 . 1 1 20 20 ALA N N 15 120.944 0.400 . 1 . . . . 20 ALA N . 16955 1 230 . 1 1 21 21 PRO HA H 1 4.002 0.020 . 1 . . . . 21 PRO HA . 16955 1 231 . 1 1 21 21 PRO HB2 H 1 2.207 0.020 . 2 . . . . 21 PRO HB2 . 16955 1 232 . 1 1 21 21 PRO HB3 H 1 1.880 0.020 . 2 . . . . 21 PRO HB3 . 16955 1 233 . 1 1 21 21 PRO HD2 H 1 3.630 0.020 . 2 . . . . 21 PRO HD2 . 16955 1 234 . 1 1 21 21 PRO HD3 H 1 3.997 0.020 . 2 . . . . 21 PRO HD3 . 16955 1 235 . 1 1 21 21 PRO HG2 H 1 1.990 0.020 . 2 . . . . 21 PRO HG2 . 16955 1 236 . 1 1 21 21 PRO HG3 H 1 2.200 0.020 . 2 . . . . 21 PRO HG3 . 16955 1 237 . 1 1 21 21 PRO C C 13 176.300 0.400 . 1 . . . . 21 PRO C . 16955 1 238 . 1 1 21 21 PRO CA C 13 64.401 0.400 . 1 . . . . 21 PRO CA . 16955 1 239 . 1 1 21 21 PRO CB C 13 31.480 0.400 . 1 . . . . 21 PRO CB . 16955 1 240 . 1 1 21 21 PRO CD C 13 50.490 0.400 . 1 . . . . 21 PRO CD . 16955 1 241 . 1 1 21 21 PRO CG C 13 27.980 0.400 . 1 . . . . 21 PRO CG . 16955 1 242 . 1 1 22 22 ASP H H 1 7.292 0.020 . 1 . . . . 22 ASP H . 16955 1 243 . 1 1 22 22 ASP HA H 1 4.507 0.020 . 1 . . . . 22 ASP HA . 16955 1 244 . 1 1 22 22 ASP HB2 H 1 2.937 0.020 . 2 . . . . 22 ASP HB2 . 16955 1 245 . 1 1 22 22 ASP HB3 H 1 2.937 0.020 . 2 . . . . 22 ASP HB3 . 16955 1 246 . 1 1 22 22 ASP C C 13 175.300 0.400 . 1 . . . . 22 ASP C . 16955 1 247 . 1 1 22 22 ASP CA C 13 58.890 0.400 . 1 . . . . 22 ASP CA . 16955 1 248 . 1 1 22 22 ASP CB C 13 38.440 0.400 . 1 . . . . 22 ASP CB . 16955 1 249 . 1 1 22 22 ASP N N 15 116.024 0.400 . 1 . . . . 22 ASP N . 16955 1 250 . 1 1 23 23 SER H H 1 7.730 0.020 . 1 . . . . 23 SER H . 16955 1 251 . 1 1 23 23 SER HA H 1 4.528 0.020 . 1 . . . . 23 SER HA . 16955 1 252 . 1 1 23 23 SER HB2 H 1 4.159 0.020 . 2 . . . . 23 SER HB2 . 16955 1 253 . 1 1 23 23 SER HB3 H 1 3.593 0.020 . 2 . . . . 23 SER HB3 . 16955 1 254 . 1 1 23 23 SER C C 13 175.500 0.400 . 1 . . . . 23 SER C . 16955 1 255 . 1 1 23 23 SER CA C 13 59.110 0.400 . 1 . . . . 23 SER CA . 16955 1 256 . 1 1 23 23 SER CB C 13 65.240 0.400 . 1 . . . . 23 SER CB . 16955 1 257 . 1 1 23 23 SER N N 15 111.906 0.400 . 1 . . . . 23 SER N . 16955 1 258 . 1 1 24 24 PHE H H 1 9.072 0.020 . 1 . . . . 24 PHE H . 16955 1 259 . 1 1 24 24 PHE HA H 1 4.384 0.020 . 1 . . . . 24 PHE HA . 16955 1 260 . 1 1 24 24 PHE HB2 H 1 2.876 0.020 . 2 . . . . 24 PHE HB2 . 16955 1 261 . 1 1 24 24 PHE HB3 H 1 2.876 0.020 . 2 . . . . 24 PHE HB3 . 16955 1 262 . 1 1 24 24 PHE HD1 H 1 7.220 0.020 . 1 . . . . 24 PHE HD1 . 16955 1 263 . 1 1 24 24 PHE HD2 H 1 7.220 0.020 . 1 . . . . 24 PHE HD2 . 16955 1 264 . 1 1 24 24 PHE HE1 H 1 6.370 0.020 . 1 . . . . 24 PHE HE1 . 16955 1 265 . 1 1 24 24 PHE HE2 H 1 6.370 0.020 . 1 . . . . 24 PHE HE2 . 16955 1 266 . 1 1 24 24 PHE C C 13 174.500 0.400 . 1 . . . . 24 PHE C . 16955 1 267 . 1 1 24 24 PHE CA C 13 59.350 0.400 . 1 . . . . 24 PHE CA . 16955 1 268 . 1 1 24 24 PHE CB C 13 40.170 0.400 . 1 . . . . 24 PHE CB . 16955 1 269 . 1 1 24 24 PHE N N 15 124.502 0.400 . 1 . . . . 24 PHE N . 16955 1 270 . 1 1 25 25 SER H H 1 8.012 0.020 . 1 . . . . 25 SER H . 16955 1 271 . 1 1 25 25 SER HA H 1 4.499 0.020 . 1 . . . . 25 SER HA . 16955 1 272 . 1 1 25 25 SER HB2 H 1 3.624 0.020 . 2 . . . . 25 SER HB2 . 16955 1 273 . 1 1 25 25 SER HB3 H 1 3.494 0.020 . 2 . . . . 25 SER HB3 . 16955 1 274 . 1 1 25 25 SER C C 13 172.300 0.400 . 1 . . . . 25 SER C . 16955 1 275 . 1 1 25 25 SER CA C 13 53.180 0.400 . 1 . . . . 25 SER CA . 16955 1 276 . 1 1 25 25 SER CB C 13 63.830 0.400 . 1 . . . . 25 SER CB . 16955 1 277 . 1 1 25 25 SER N N 15 123.400 0.400 . 1 . . . . 25 SER N . 16955 1 278 . 1 1 26 26 PRO HA H 1 2.637 0.020 . 1 . . . . 26 PRO HA . 16955 1 279 . 1 1 26 26 PRO HB2 H 1 0.924 0.020 . 2 . . . . 26 PRO HB2 . 16955 1 280 . 1 1 26 26 PRO HB3 H 1 1.252 0.020 . 2 . . . . 26 PRO HB3 . 16955 1 281 . 1 1 26 26 PRO HD2 H 1 3.156 0.020 . 2 . . . . 26 PRO HD2 . 16955 1 282 . 1 1 26 26 PRO HD3 H 1 3.579 0.020 . 2 . . . . 26 PRO HD3 . 16955 1 283 . 1 1 26 26 PRO HG2 H 1 1.641 0.020 . 2 . . . . 26 PRO HG2 . 16955 1 284 . 1 1 26 26 PRO HG3 H 1 1.102 0.020 . 2 . . . . 26 PRO HG3 . 16955 1 285 . 1 1 26 26 PRO C C 13 175.300 0.400 . 1 . . . . 26 PRO C . 16955 1 286 . 1 1 26 26 PRO CA C 13 65.090 0.400 . 1 . . . . 26 PRO CA . 16955 1 287 . 1 1 26 26 PRO CB C 13 31.480 0.400 . 1 . . . . 26 PRO CB . 16955 1 288 . 1 1 26 26 PRO CD C 13 50.180 0.400 . 1 . . . . 26 PRO CD . 16955 1 289 . 1 1 26 26 PRO CG C 13 26.570 0.400 . 1 . . . . 26 PRO CG . 16955 1 290 . 1 1 27 27 LYS H H 1 7.784 0.020 . 1 . . . . 27 LYS H . 16955 1 291 . 1 1 27 27 LYS HA H 1 3.729 0.020 . 1 . . . . 27 LYS HA . 16955 1 292 . 1 1 27 27 LYS HB2 H 1 1.655 0.020 . 2 . . . . 27 LYS HB2 . 16955 1 293 . 1 1 27 27 LYS HB3 H 1 1.655 0.020 . 2 . . . . 27 LYS HB3 . 16955 1 294 . 1 1 27 27 LYS HD2 H 1 1.680 0.020 . 2 . . . . 27 LYS HD2 . 16955 1 295 . 1 1 27 27 LYS HD3 H 1 1.680 0.020 . 2 . . . . 27 LYS HD3 . 16955 1 296 . 1 1 27 27 LYS HE2 H 1 2.965 0.020 . 2 . . . . 27 LYS HE2 . 16955 1 297 . 1 1 27 27 LYS HE3 H 1 2.965 0.020 . 2 . . . . 27 LYS HE3 . 16955 1 298 . 1 1 27 27 LYS HG2 H 1 1.330 0.020 . 2 . . . . 27 LYS HG2 . 16955 1 299 . 1 1 27 27 LYS HG3 H 1 1.440 0.020 . 2 . . . . 27 LYS HG3 . 16955 1 300 . 1 1 27 27 LYS C C 13 179.400 0.400 . 1 . . . . 27 LYS C . 16955 1 301 . 1 1 27 27 LYS CA C 13 59.570 0.400 . 1 . . . . 27 LYS CA . 16955 1 302 . 1 1 27 27 LYS CB C 13 31.420 0.400 . 1 . . . . 27 LYS CB . 16955 1 303 . 1 1 27 27 LYS CD C 13 28.860 0.400 . 1 . . . . 27 LYS CD . 16955 1 304 . 1 1 27 27 LYS CE C 13 42.100 0.400 . 1 . . . . 27 LYS CE . 16955 1 305 . 1 1 27 27 LYS CG C 13 24.900 0.400 . 1 . . . . 27 LYS CG . 16955 1 306 . 1 1 27 27 LYS N N 15 112.664 0.400 . 1 . . . . 27 LYS N . 16955 1 307 . 1 1 28 28 LYS H H 1 6.902 0.020 . 1 . . . . 28 LYS H . 16955 1 308 . 1 1 28 28 LYS HA H 1 4.009 0.020 . 1 . . . . 28 LYS HA . 16955 1 309 . 1 1 28 28 LYS HB2 H 1 1.705 0.020 . 2 . . . . 28 LYS HB2 . 16955 1 310 . 1 1 28 28 LYS HB3 H 1 1.705 0.020 . 2 . . . . 28 LYS HB3 . 16955 1 311 . 1 1 28 28 LYS HD2 H 1 1.710 0.020 . 2 . . . . 28 LYS HD2 . 16955 1 312 . 1 1 28 28 LYS HD3 H 1 1.710 0.020 . 2 . . . . 28 LYS HD3 . 16955 1 313 . 1 1 28 28 LYS HE2 H 1 2.950 0.020 . 2 . . . . 28 LYS HE2 . 16955 1 314 . 1 1 28 28 LYS HE3 H 1 2.950 0.020 . 2 . . . . 28 LYS HE3 . 16955 1 315 . 1 1 28 28 LYS HG2 H 1 1.380 0.020 . 2 . . . . 28 LYS HG2 . 16955 1 316 . 1 1 28 28 LYS HG3 H 1 1.380 0.020 . 2 . . . . 28 LYS HG3 . 16955 1 317 . 1 1 28 28 LYS C C 13 178.001 0.400 . 1 . . . . 28 LYS C . 16955 1 318 . 1 1 28 28 LYS CA C 13 59.080 0.400 . 1 . . . . 28 LYS CA . 16955 1 319 . 1 1 28 28 LYS CB C 13 31.910 0.400 . 1 . . . . 28 LYS CB . 16955 1 320 . 1 1 28 28 LYS CD C 13 28.970 0.400 . 1 . . . . 28 LYS CD . 16955 1 321 . 1 1 28 28 LYS CE C 13 41.470 0.400 . 1 . . . . 28 LYS CE . 16955 1 322 . 1 1 28 28 LYS CG C 13 24.540 0.400 . 1 . . . . 28 LYS CG . 16955 1 323 . 1 1 28 28 LYS N N 15 118.648 0.400 . 1 . . . . 28 LYS N . 16955 1 324 . 1 1 29 29 PHE H H 1 7.735 0.020 . 1 . . . . 29 PHE H . 16955 1 325 . 1 1 29 29 PHE HA H 1 3.920 0.020 . 1 . . . . 29 PHE HA . 16955 1 326 . 1 1 29 29 PHE HB2 H 1 2.685 0.020 . 2 . . . . 29 PHE HB2 . 16955 1 327 . 1 1 29 29 PHE HB3 H 1 2.685 0.020 . 2 . . . . 29 PHE HB3 . 16955 1 328 . 1 1 29 29 PHE HD1 H 1 6.820 0.020 . 1 . . . . 29 PHE HD1 . 16955 1 329 . 1 1 29 29 PHE HD2 H 1 6.820 0.020 . 1 . . . . 29 PHE HD2 . 16955 1 330 . 1 1 29 29 PHE HE1 H 1 7.169 0.020 . 1 . . . . 29 PHE HE1 . 16955 1 331 . 1 1 29 29 PHE HE2 H 1 7.169 0.020 . 1 . . . . 29 PHE HE2 . 16955 1 332 . 1 1 29 29 PHE C C 13 180.800 0.400 . 1 . . . . 29 PHE C . 16955 1 333 . 1 1 29 29 PHE CA C 13 61.970 0.400 . 1 . . . . 29 PHE CA . 16955 1 334 . 1 1 29 29 PHE CB C 13 39.750 0.400 . 1 . . . . 29 PHE CB . 16955 1 335 . 1 1 29 29 PHE N N 15 120.075 0.400 . 1 . . . . 29 PHE N . 16955 1 336 . 1 1 30 30 PHE H H 1 8.994 0.020 . 1 . . . . 30 PHE H . 16955 1 337 . 1 1 30 30 PHE HA H 1 4.657 0.020 . 1 . . . . 30 PHE HA . 16955 1 338 . 1 1 30 30 PHE HB2 H 1 3.300 0.020 . 2 . . . . 30 PHE HB2 . 16955 1 339 . 1 1 30 30 PHE HB3 H 1 3.380 0.020 . 2 . . . . 30 PHE HB3 . 16955 1 340 . 1 1 30 30 PHE HD1 H 1 7.582 0.020 . 1 . . . . 30 PHE HD1 . 16955 1 341 . 1 1 30 30 PHE HD2 H 1 7.582 0.020 . 1 . . . . 30 PHE HD2 . 16955 1 342 . 1 1 30 30 PHE HE1 H 1 7.148 0.020 . 1 . . . . 30 PHE HE1 . 16955 1 343 . 1 1 30 30 PHE HE2 H 1 7.148 0.020 . 1 . . . . 30 PHE HE2 . 16955 1 344 . 1 1 30 30 PHE C C 13 177.400 0.400 . 1 . . . . 30 PHE C . 16955 1 345 . 1 1 30 30 PHE CA C 13 58.210 0.400 . 1 . . . . 30 PHE CA . 16955 1 346 . 1 1 30 30 PHE CB C 13 37.150 0.400 . 1 . . . . 30 PHE CB . 16955 1 347 . 1 1 30 30 PHE N N 15 119.851 0.400 . 1 . . . . 30 PHE N . 16955 1 348 . 1 1 31 31 GLN H H 1 7.890 0.020 . 1 . . . . 31 GLN H . 16955 1 349 . 1 1 31 31 GLN HA H 1 4.220 0.020 . 1 . . . . 31 GLN HA . 16955 1 350 . 1 1 31 31 GLN HB2 H 1 2.230 0.020 . 2 . . . . 31 GLN HB2 . 16955 1 351 . 1 1 31 31 GLN HB3 H 1 2.230 0.020 . 2 . . . . 31 GLN HB3 . 16955 1 352 . 1 1 31 31 GLN HE21 H 1 7.493 0.020 . 2 . . . . 31 GLN HE21 . 16955 1 353 . 1 1 31 31 GLN HE22 H 1 6.769 0.020 . 2 . . . . 31 GLN HE22 . 16955 1 354 . 1 1 31 31 GLN HG2 H 1 2.292 0.020 . 2 . . . . 31 GLN HG2 . 16955 1 355 . 1 1 31 31 GLN HG3 H 1 2.501 0.020 . 2 . . . . 31 GLN HG3 . 16955 1 356 . 1 1 31 31 GLN C C 13 179.400 0.400 . 1 . . . . 31 GLN C . 16955 1 357 . 1 1 31 31 GLN CA C 13 58.670 0.400 . 1 . . . . 31 GLN CA . 16955 1 358 . 1 1 31 31 GLN CB C 13 33.450 0.400 . 1 . . . . 31 GLN CB . 16955 1 359 . 1 1 31 31 GLN CG C 13 33.450 0.400 . 1 . . . . 31 GLN CG . 16955 1 360 . 1 1 31 31 GLN N N 15 119.213 0.400 . 1 . . . . 31 GLN N . 16955 1 361 . 1 1 31 31 GLN NE2 N 15 111.800 0.400 . 1 . . . . 31 GLN NE2 . 16955 1 362 . 1 1 32 32 ILE H H 1 8.746 0.020 . 1 . . . . 32 ILE H . 16955 1 363 . 1 1 32 32 ILE HA H 1 3.531 0.020 . 1 . . . . 32 ILE HA . 16955 1 364 . 1 1 32 32 ILE HB H 1 1.341 0.020 . 1 . . . . 32 ILE HB . 16955 1 365 . 1 1 32 32 ILE HD11 H 1 0.713 0.020 . 1 . . . . 32 ILE HD11 . 16955 1 366 . 1 1 32 32 ILE HD12 H 1 0.713 0.020 . 1 . . . . 32 ILE HD12 . 16955 1 367 . 1 1 32 32 ILE HD13 H 1 0.713 0.020 . 1 . . . . 32 ILE HD13 . 16955 1 368 . 1 1 32 32 ILE HG12 H 1 0.990 0.020 . 2 . . . . 32 ILE HG12 . 16955 1 369 . 1 1 32 32 ILE HG13 H 1 1.770 0.020 . 2 . . . . 32 ILE HG13 . 16955 1 370 . 1 1 32 32 ILE HG21 H 1 0.700 0.020 . 1 . . . . 32 ILE HG21 . 16955 1 371 . 1 1 32 32 ILE HG22 H 1 0.700 0.020 . 1 . . . . 32 ILE HG22 . 16955 1 372 . 1 1 32 32 ILE HG23 H 1 0.700 0.020 . 1 . . . . 32 ILE HG23 . 16955 1 373 . 1 1 32 32 ILE C C 13 177.800 0.400 . 1 . . . . 32 ILE C . 16955 1 374 . 1 1 32 32 ILE CA C 13 65.140 0.400 . 1 . . . . 32 ILE CA . 16955 1 375 . 1 1 32 32 ILE CB C 13 38.740 0.400 . 1 . . . . 32 ILE CB . 16955 1 376 . 1 1 32 32 ILE CD1 C 13 13.590 0.400 . 1 . . . . 32 ILE CD1 . 16955 1 377 . 1 1 32 32 ILE CG1 C 13 28.600 0.400 . 1 . . . . 32 ILE CG1 . 16955 1 378 . 1 1 32 32 ILE CG2 C 13 17.350 0.400 . 1 . . . . 32 ILE CG2 . 16955 1 379 . 1 1 32 32 ILE N N 15 121.257 0.400 . 1 . . . . 32 ILE N . 16955 1 380 . 1 1 33 33 SER H H 1 7.970 0.020 . 1 . . . . 33 SER H . 16955 1 381 . 1 1 33 33 SER HA H 1 3.511 0.020 . 1 . . . . 33 SER HA . 16955 1 382 . 1 1 33 33 SER HB2 H 1 2.924 0.020 . 2 . . . . 33 SER HB2 . 16955 1 383 . 1 1 33 33 SER HB3 H 1 3.567 0.020 . 2 . . . . 33 SER HB3 . 16955 1 384 . 1 1 33 33 SER C C 13 173.800 0.400 . 1 . . . . 33 SER C . 16955 1 385 . 1 1 33 33 SER CA C 13 61.050 0.400 . 1 . . . . 33 SER CA . 16955 1 386 . 1 1 33 33 SER CB C 13 63.880 0.400 . 1 . . . . 33 SER CB . 16955 1 387 . 1 1 33 33 SER N N 15 108.765 0.400 . 1 . . . . 33 SER N . 16955 1 388 . 1 1 34 34 GLY H H 1 7.130 0.020 . 1 . . . . 34 GLY H . 16955 1 389 . 1 1 34 34 GLY HA2 H 1 3.975 0.020 . 2 . . . . 34 GLY HA2 . 16955 1 390 . 1 1 34 34 GLY HA3 H 1 4.350 0.020 . 2 . . . . 34 GLY HA3 . 16955 1 391 . 1 1 34 34 GLY C C 13 175.400 0.400 . 1 . . . . 34 GLY C . 16955 1 392 . 1 1 34 34 GLY CA C 13 45.300 0.400 . 1 . . . . 34 GLY CA . 16955 1 393 . 1 1 34 34 GLY N N 15 107.198 0.400 . 1 . . . . 34 GLY N . 16955 1 394 . 1 1 35 35 MET H H 1 8.111 0.020 . 1 . . . . 35 MET H . 16955 1 395 . 1 1 35 35 MET HA H 1 3.668 0.020 . 1 . . . . 35 MET HA . 16955 1 396 . 1 1 35 35 MET HB2 H 1 2.110 0.020 . 2 . . . . 35 MET HB2 . 16955 1 397 . 1 1 35 35 MET HB3 H 1 2.460 0.020 . 2 . . . . 35 MET HB3 . 16955 1 398 . 1 1 35 35 MET HE1 H 1 2.318 0.020 . 1 . . . . 35 MET HE1 . 16955 1 399 . 1 1 35 35 MET HE2 H 1 2.318 0.020 . 1 . . . . 35 MET HE2 . 16955 1 400 . 1 1 35 35 MET HE3 H 1 2.318 0.020 . 1 . . . . 35 MET HE3 . 16955 1 401 . 1 1 35 35 MET HG2 H 1 2.450 0.020 . 2 . . . . 35 MET HG2 . 16955 1 402 . 1 1 35 35 MET HG3 H 1 3.050 0.020 . 2 . . . . 35 MET HG3 . 16955 1 403 . 1 1 35 35 MET C C 13 177.001 0.400 . 1 . . . . 35 MET C . 16955 1 404 . 1 1 35 35 MET CA C 13 60.340 0.400 . 1 . . . . 35 MET CA . 16955 1 405 . 1 1 35 35 MET CB C 13 34.810 0.400 . 1 . . . . 35 MET CB . 16955 1 406 . 1 1 35 35 MET CE C 13 17.400 0.400 . 1 . . . . 35 MET CE . 16955 1 407 . 1 1 35 35 MET CG C 13 34.590 0.400 . 1 . . . . 35 MET CG . 16955 1 408 . 1 1 35 35 MET N N 15 120.909 0.400 . 1 . . . . 35 MET N . 16955 1 409 . 1 1 36 36 SER H H 1 7.871 0.020 . 1 . . . . 36 SER H . 16955 1 410 . 1 1 36 36 SER HA H 1 4.060 0.020 . 1 . . . . 36 SER HA . 16955 1 411 . 1 1 36 36 SER HB2 H 1 3.700 0.020 . 2 . . . . 36 SER HB2 . 16955 1 412 . 1 1 36 36 SER HB3 H 1 4.120 0.020 . 2 . . . . 36 SER HB3 . 16955 1 413 . 1 1 36 36 SER C C 13 174.700 0.400 . 1 . . . . 36 SER C . 16955 1 414 . 1 1 36 36 SER CA C 13 60.830 0.400 . 1 . . . . 36 SER CA . 16955 1 415 . 1 1 36 36 SER CB C 13 63.250 0.400 . 1 . . . . 36 SER CB . 16955 1 416 . 1 1 36 36 SER N N 15 108.736 0.400 . 1 . . . . 36 SER N . 16955 1 417 . 1 1 37 37 LYS H H 1 7.017 0.020 . 1 . . . . 37 LYS H . 16955 1 418 . 1 1 37 37 LYS HA H 1 4.575 0.020 . 1 . . . . 37 LYS HA . 16955 1 419 . 1 1 37 37 LYS HB2 H 1 1.720 0.020 . 2 . . . . 37 LYS HB2 . 16955 1 420 . 1 1 37 37 LYS HB3 H 1 2.105 0.020 . 2 . . . . 37 LYS HB3 . 16955 1 421 . 1 1 37 37 LYS HD2 H 1 1.660 0.020 . 2 . . . . 37 LYS HD2 . 16955 1 422 . 1 1 37 37 LYS HD3 H 1 1.660 0.020 . 2 . . . . 37 LYS HD3 . 16955 1 423 . 1 1 37 37 LYS HE2 H 1 2.994 0.020 . 2 . . . . 37 LYS HE2 . 16955 1 424 . 1 1 37 37 LYS HE3 H 1 2.994 0.020 . 2 . . . . 37 LYS HE3 . 16955 1 425 . 1 1 37 37 LYS HG2 H 1 1.428 0.020 . 2 . . . . 37 LYS HG2 . 16955 1 426 . 1 1 37 37 LYS HG3 H 1 1.428 0.020 . 2 . . . . 37 LYS HG3 . 16955 1 427 . 1 1 37 37 LYS C C 13 177.001 0.400 . 1 . . . . 37 LYS C . 16955 1 428 . 1 1 37 37 LYS CA C 13 55.200 0.400 . 1 . . . . 37 LYS CA . 16955 1 429 . 1 1 37 37 LYS CB C 13 32.900 0.400 . 1 . . . . 37 LYS CB . 16955 1 430 . 1 1 37 37 LYS CD C 13 28.760 0.400 . 1 . . . . 37 LYS CD . 16955 1 431 . 1 1 37 37 LYS CE C 13 42.100 0.400 . 1 . . . . 37 LYS CE . 16955 1 432 . 1 1 37 37 LYS CG C 13 24.640 0.400 . 1 . . . . 37 LYS CG . 16955 1 433 . 1 1 37 37 LYS N N 15 118.271 0.400 . 1 . . . . 37 LYS N . 16955 1 434 . 1 1 38 38 LYS H H 1 7.351 0.020 . 1 . . . . 38 LYS H . 16955 1 435 . 1 1 38 38 LYS HA H 1 4.514 0.020 . 1 . . . . 38 LYS HA . 16955 1 436 . 1 1 38 38 LYS HB2 H 1 1.968 0.020 . 2 . . . . 38 LYS HB2 . 16955 1 437 . 1 1 38 38 LYS HB3 H 1 1.968 0.020 . 2 . . . . 38 LYS HB3 . 16955 1 438 . 1 1 38 38 LYS HD2 H 1 1.630 0.020 . 2 . . . . 38 LYS HD2 . 16955 1 439 . 1 1 38 38 LYS HD3 H 1 1.630 0.020 . 2 . . . . 38 LYS HD3 . 16955 1 440 . 1 1 38 38 LYS HE2 H 1 2.820 0.020 . 2 . . . . 38 LYS HE2 . 16955 1 441 . 1 1 38 38 LYS HE3 H 1 3.010 0.020 . 2 . . . . 38 LYS HE3 . 16955 1 442 . 1 1 38 38 LYS HG2 H 1 1.076 0.020 . 2 . . . . 38 LYS HG2 . 16955 1 443 . 1 1 38 38 LYS HG3 H 1 1.898 0.020 . 2 . . . . 38 LYS HG3 . 16955 1 444 . 1 1 38 38 LYS C C 13 175.700 0.400 . 1 . . . . 38 LYS C . 16955 1 445 . 1 1 38 38 LYS CA C 13 53.650 0.400 . 1 . . . . 38 LYS CA . 16955 1 446 . 1 1 38 38 LYS CB C 13 31.260 0.400 . 1 . . . . 38 LYS CB . 16955 1 447 . 1 1 38 38 LYS CD C 13 26.730 0.400 . 1 . . . . 38 LYS CD . 16955 1 448 . 1 1 38 38 LYS CE C 13 42.510 0.400 . 1 . . . . 38 LYS CE . 16955 1 449 . 1 1 38 38 LYS CG C 13 24.120 0.400 . 1 . . . . 38 LYS CG . 16955 1 450 . 1 1 38 38 LYS N N 15 118.269 0.400 . 1 . . . . 38 LYS N . 16955 1 451 . 1 1 39 39 SER H H 1 8.850 0.020 . 1 . . . . 39 SER H . 16955 1 452 . 1 1 39 39 SER HA H 1 4.466 0.020 . 1 . . . . 39 SER HA . 16955 1 453 . 1 1 39 39 SER HB2 H 1 3.975 0.020 . 2 . . . . 39 SER HB2 . 16955 1 454 . 1 1 39 39 SER HB3 H 1 4.393 0.020 . 2 . . . . 39 SER HB3 . 16955 1 455 . 1 1 39 39 SER C C 13 175.100 0.400 . 1 . . . . 39 SER C . 16955 1 456 . 1 1 39 39 SER CA C 13 57.090 0.400 . 1 . . . . 39 SER CA . 16955 1 457 . 1 1 39 39 SER CB C 13 65.820 0.400 . 1 . . . . 39 SER CB . 16955 1 458 . 1 1 39 39 SER N N 15 115.752 0.400 . 1 . . . . 39 SER N . 16955 1 459 . 1 1 40 40 SER H H 1 9.050 0.020 . 1 . . . . 40 SER H . 16955 1 460 . 1 1 40 40 SER HA H 1 3.950 0.020 . 1 . . . . 40 SER HA . 16955 1 461 . 1 1 40 40 SER HB2 H 1 3.920 0.020 . 2 . . . . 40 SER HB2 . 16955 1 462 . 1 1 40 40 SER HB3 H 1 3.920 0.020 . 2 . . . . 40 SER HB3 . 16955 1 463 . 1 1 40 40 SER C C 13 177.200 0.400 . 1 . . . . 40 SER C . 16955 1 464 . 1 1 40 40 SER CA C 13 62.170 0.400 . 1 . . . . 40 SER CA . 16955 1 465 . 1 1 40 40 SER CB C 13 62.270 0.400 . 1 . . . . 40 SER CB . 16955 1 466 . 1 1 40 40 SER N N 15 115.670 0.400 . 1 . . . . 40 SER N . 16955 1 467 . 1 1 41 41 SER H H 1 8.449 0.020 . 1 . . . . 41 SER H . 16955 1 468 . 1 1 41 41 SER HA H 1 4.159 0.020 . 1 . . . . 41 SER HA . 16955 1 469 . 1 1 41 41 SER HB2 H 1 3.872 0.020 . 2 . . . . 41 SER HB2 . 16955 1 470 . 1 1 41 41 SER HB3 H 1 3.872 0.020 . 2 . . . . 41 SER HB3 . 16955 1 471 . 1 1 41 41 SER C C 13 177.600 0.400 . 1 . . . . 41 SER C . 16955 1 472 . 1 1 41 41 SER CA C 13 61.890 0.400 . 1 . . . . 41 SER CA . 16955 1 473 . 1 1 41 41 SER CB C 13 62.210 0.400 . 1 . . . . 41 SER CB . 16955 1 474 . 1 1 41 41 SER N N 15 116.300 0.400 . 1 . . . . 41 SER N . 16955 1 475 . 1 1 42 42 GLN H H 1 7.659 0.020 . 1 . . . . 42 GLN H . 16955 1 476 . 1 1 42 42 GLN HA H 1 4.214 0.020 . 1 . . . . 42 GLN HA . 16955 1 477 . 1 1 42 42 GLN HB2 H 1 1.764 0.020 . 2 . . . . 42 GLN HB2 . 16955 1 478 . 1 1 42 42 GLN HB3 H 1 2.521 0.020 . 2 . . . . 42 GLN HB3 . 16955 1 479 . 1 1 42 42 GLN HE21 H 1 7.121 0.020 . 2 . . . . 42 GLN HE21 . 16955 1 480 . 1 1 42 42 GLN HE22 H 1 7.889 0.020 . 2 . . . . 42 GLN HE22 . 16955 1 481 . 1 1 42 42 GLN HG2 H 1 2.380 0.020 . 2 . . . . 42 GLN HG2 . 16955 1 482 . 1 1 42 42 GLN HG3 H 1 2.380 0.020 . 2 . . . . 42 GLN HG3 . 16955 1 483 . 1 1 42 42 GLN C C 13 178.800 0.400 . 1 . . . . 42 GLN C . 16955 1 484 . 1 1 42 42 GLN CA C 13 58.970 0.400 . 1 . . . . 42 GLN CA . 16955 1 485 . 1 1 42 42 GLN CB C 13 29.350 0.400 . 1 . . . . 42 GLN CB . 16955 1 486 . 1 1 42 42 GLN CG C 13 35.220 0.400 . 1 . . . . 42 GLN CG . 16955 1 487 . 1 1 42 42 GLN N N 15 122.888 0.400 . 1 . . . . 42 GLN N . 16955 1 488 . 1 1 42 42 GLN NE2 N 15 113.800 0.400 . 1 . . . . 42 GLN NE2 . 16955 1 489 . 1 1 43 43 LEU H H 1 8.738 0.020 . 1 . . . . 43 LEU H . 16955 1 490 . 1 1 43 43 LEU HA H 1 4.159 0.020 . 1 . . . . 43 LEU HA . 16955 1 491 . 1 1 43 43 LEU HB2 H 1 1.293 0.020 . 2 . . . . 43 LEU HB2 . 16955 1 492 . 1 1 43 43 LEU HB3 H 1 2.064 0.020 . 2 . . . . 43 LEU HB3 . 16955 1 493 . 1 1 43 43 LEU HD11 H 1 0.696 0.020 . 1 . . . . 43 LEU HD11 . 16955 1 494 . 1 1 43 43 LEU HD12 H 1 0.696 0.020 . 1 . . . . 43 LEU HD12 . 16955 1 495 . 1 1 43 43 LEU HD13 H 1 0.696 0.020 . 1 . . . . 43 LEU HD13 . 16955 1 496 . 1 1 43 43 LEU HD21 H 1 0.868 0.020 . 1 . . . . 43 LEU HD21 . 16955 1 497 . 1 1 43 43 LEU HD22 H 1 0.868 0.020 . 1 . . . . 43 LEU HD22 . 16955 1 498 . 1 1 43 43 LEU HD23 H 1 0.868 0.020 . 1 . . . . 43 LEU HD23 . 16955 1 499 . 1 1 43 43 LEU HG H 1 1.820 0.020 . 1 . . . . 43 LEU HG . 16955 1 500 . 1 1 43 43 LEU C C 13 179.200 0.400 . 1 . . . . 43 LEU C . 16955 1 501 . 1 1 43 43 LEU CA C 13 57.930 0.400 . 1 . . . . 43 LEU CA . 16955 1 502 . 1 1 43 43 LEU CB C 13 41.410 0.400 . 1 . . . . 43 LEU CB . 16955 1 503 . 1 1 43 43 LEU CD1 C 13 26.400 0.400 . 1 . . . . 43 LEU CD1 . 16955 1 504 . 1 1 43 43 LEU CD2 C 13 22.820 0.400 . 1 . . . . 43 LEU CD2 . 16955 1 505 . 1 1 43 43 LEU CG C 13 26.310 0.400 . 1 . . . . 43 LEU CG . 16955 1 506 . 1 1 43 43 LEU N N 15 118.186 0.400 . 1 . . . . 43 LEU N . 16955 1 507 . 1 1 44 44 LYS H H 1 8.093 0.020 . 1 . . . . 44 LYS H . 16955 1 508 . 1 1 44 44 LYS HA H 1 4.186 0.020 . 1 . . . . 44 LYS HA . 16955 1 509 . 1 1 44 44 LYS HB2 H 1 1.941 0.020 . 2 . . . . 44 LYS HB2 . 16955 1 510 . 1 1 44 44 LYS HB3 H 1 1.941 0.020 . 2 . . . . 44 LYS HB3 . 16955 1 511 . 1 1 44 44 LYS HD2 H 1 1.600 0.020 . 2 . . . . 44 LYS HD2 . 16955 1 512 . 1 1 44 44 LYS HD3 H 1 1.600 0.020 . 2 . . . . 44 LYS HD3 . 16955 1 513 . 1 1 44 44 LYS HE2 H 1 2.810 0.020 . 2 . . . . 44 LYS HE2 . 16955 1 514 . 1 1 44 44 LYS HE3 H 1 2.810 0.020 . 2 . . . . 44 LYS HE3 . 16955 1 515 . 1 1 44 44 LYS HG2 H 1 1.410 0.020 . 2 . . . . 44 LYS HG2 . 16955 1 516 . 1 1 44 44 LYS HG3 H 1 1.570 0.020 . 2 . . . . 44 LYS HG3 . 16955 1 517 . 1 1 44 44 LYS C C 13 178.700 0.400 . 1 . . . . 44 LYS C . 16955 1 518 . 1 1 44 44 LYS CA C 13 59.240 0.400 . 1 . . . . 44 LYS CA . 16955 1 519 . 1 1 44 44 LYS CB C 13 31.750 0.400 . 1 . . . . 44 LYS CB . 16955 1 520 . 1 1 44 44 LYS CD C 13 28.970 0.400 . 1 . . . . 44 LYS CD . 16955 1 521 . 1 1 44 44 LYS CE C 13 41.790 0.400 . 1 . . . . 44 LYS CE . 16955 1 522 . 1 1 44 44 LYS CG C 13 25.370 0.400 . 1 . . . . 44 LYS CG . 16955 1 523 . 1 1 44 44 LYS N N 15 120.532 0.400 . 1 . . . . 44 LYS N . 16955 1 524 . 1 1 45 45 GLU H H 1 7.392 0.020 . 1 . . . . 45 GLU H . 16955 1 525 . 1 1 45 45 GLU HA H 1 4.152 0.020 . 1 . . . . 45 GLU HA . 16955 1 526 . 1 1 45 45 GLU HB2 H 1 2.269 0.020 . 2 . . . . 45 GLU HB2 . 16955 1 527 . 1 1 45 45 GLU HB3 H 1 2.098 0.020 . 2 . . . . 45 GLU HB3 . 16955 1 528 . 1 1 45 45 GLU HG2 H 1 2.385 0.020 . 2 . . . . 45 GLU HG2 . 16955 1 529 . 1 1 45 45 GLU HG3 H 1 2.248 0.020 . 2 . . . . 45 GLU HG3 . 16955 1 530 . 1 1 45 45 GLU C C 13 179.200 0.400 . 1 . . . . 45 GLU C . 16955 1 531 . 1 1 45 45 GLU CA C 13 59.440 0.400 . 1 . . . . 45 GLU CA . 16955 1 532 . 1 1 45 45 GLU CB C 13 28.800 0.400 . 1 . . . . 45 GLU CB . 16955 1 533 . 1 1 45 45 GLU CG C 13 35.980 0.400 . 1 . . . . 45 GLU CG . 16955 1 534 . 1 1 45 45 GLU N N 15 119.125 0.400 . 1 . . . . 45 GLU N . 16955 1 535 . 1 1 46 46 ILE H H 1 7.632 0.020 . 1 . . . . 46 ILE H . 16955 1 536 . 1 1 46 46 ILE HA H 1 3.531 0.020 . 1 . . . . 46 ILE HA . 16955 1 537 . 1 1 46 46 ILE HB H 1 2.248 0.020 . 1 . . . . 46 ILE HB . 16955 1 538 . 1 1 46 46 ILE HD11 H 1 1.046 0.020 . 1 . . . . 46 ILE HD11 . 16955 1 539 . 1 1 46 46 ILE HD12 H 1 1.046 0.020 . 1 . . . . 46 ILE HD12 . 16955 1 540 . 1 1 46 46 ILE HD13 H 1 1.046 0.020 . 1 . . . . 46 ILE HD13 . 16955 1 541 . 1 1 46 46 ILE HG12 H 1 2.136 0.020 . 2 . . . . 46 ILE HG12 . 16955 1 542 . 1 1 46 46 ILE HG13 H 1 0.951 0.020 . 2 . . . . 46 ILE HG13 . 16955 1 543 . 1 1 46 46 ILE HG21 H 1 1.049 0.020 . 1 . . . . 46 ILE HG21 . 16955 1 544 . 1 1 46 46 ILE HG22 H 1 1.049 0.020 . 1 . . . . 46 ILE HG22 . 16955 1 545 . 1 1 46 46 ILE HG23 H 1 1.049 0.020 . 1 . . . . 46 ILE HG23 . 16955 1 546 . 1 1 46 46 ILE C C 13 177.100 0.400 . 1 . . . . 46 ILE C . 16955 1 547 . 1 1 46 46 ILE CA C 13 65.770 0.400 . 1 . . . . 46 ILE CA . 16955 1 548 . 1 1 46 46 ILE CB C 13 37.820 0.400 . 1 . . . . 46 ILE CB . 16955 1 549 . 1 1 46 46 ILE CD1 C 13 13.590 0.400 . 1 . . . . 46 ILE CD1 . 16955 1 550 . 1 1 46 46 ILE CG1 C 13 28.970 0.400 . 1 . . . . 46 ILE CG1 . 16955 1 551 . 1 1 46 46 ILE CG2 C 13 16.820 0.400 . 1 . . . . 46 ILE CG2 . 16955 1 552 . 1 1 46 46 ILE N N 15 118.798 0.400 . 1 . . . . 46 ILE N . 16955 1 553 . 1 1 47 47 PHE H H 1 8.860 0.020 . 1 . . . . 47 PHE H . 16955 1 554 . 1 1 47 47 PHE HA H 1 3.060 0.020 . 1 . . . . 47 PHE HA . 16955 1 555 . 1 1 47 47 PHE HB2 H 1 2.958 0.020 . 2 . . . . 47 PHE HB2 . 16955 1 556 . 1 1 47 47 PHE HB3 H 1 3.306 0.020 . 2 . . . . 47 PHE HB3 . 16955 1 557 . 1 1 47 47 PHE HD1 H 1 7.260 0.020 . 1 . . . . 47 PHE HD1 . 16955 1 558 . 1 1 47 47 PHE HD2 H 1 7.260 0.020 . 1 . . . . 47 PHE HD2 . 16955 1 559 . 1 1 47 47 PHE HE1 H 1 6.600 0.020 . 1 . . . . 47 PHE HE1 . 16955 1 560 . 1 1 47 47 PHE HE2 H 1 6.600 0.020 . 1 . . . . 47 PHE HE2 . 16955 1 561 . 1 1 47 47 PHE C C 13 175.800 0.400 . 1 . . . . 47 PHE C . 16955 1 562 . 1 1 47 47 PHE CA C 13 62.630 0.400 . 1 . . . . 47 PHE CA . 16955 1 563 . 1 1 47 47 PHE CB C 13 38.790 0.400 . 1 . . . . 47 PHE CB . 16955 1 564 . 1 1 47 47 PHE N N 15 121.864 0.400 . 1 . . . . 47 PHE N . 16955 1 565 . 1 1 48 48 ARG H H 1 7.849 0.020 . 1 . . . . 48 ARG H . 16955 1 566 . 1 1 48 48 ARG HA H 1 3.866 0.020 . 1 . . . . 48 ARG HA . 16955 1 567 . 1 1 48 48 ARG HB2 H 1 1.921 0.020 . 2 . . . . 48 ARG HB2 . 16955 1 568 . 1 1 48 48 ARG HB3 H 1 1.921 0.020 . 2 . . . . 48 ARG HB3 . 16955 1 569 . 1 1 48 48 ARG HD2 H 1 3.204 0.020 . 2 . . . . 48 ARG HD2 . 16955 1 570 . 1 1 48 48 ARG HD3 H 1 3.204 0.020 . 2 . . . . 48 ARG HD3 . 16955 1 571 . 1 1 48 48 ARG HG2 H 1 1.689 0.020 . 2 . . . . 48 ARG HG2 . 16955 1 572 . 1 1 48 48 ARG HG3 H 1 1.689 0.020 . 2 . . . . 48 ARG HG3 . 16955 1 573 . 1 1 48 48 ARG HH11 H 1 7.474 0.020 . 2 . . . . 48 ARG HH11 . 16955 1 574 . 1 1 48 48 ARG HH12 H 1 7.474 0.020 . 2 . . . . 48 ARG HH12 . 16955 1 575 . 1 1 48 48 ARG HH21 H 1 7.352 0.020 . 2 . . . . 48 ARG HH21 . 16955 1 576 . 1 1 48 48 ARG HH22 H 1 7.352 0.020 . 2 . . . . 48 ARG HH22 . 16955 1 577 . 1 1 48 48 ARG C C 13 178.100 0.400 . 1 . . . . 48 ARG C . 16955 1 578 . 1 1 48 48 ARG CA C 13 59.320 0.400 . 1 . . . . 48 ARG CA . 16955 1 579 . 1 1 48 48 ARG CB C 13 30.280 0.400 . 1 . . . . 48 ARG CB . 16955 1 580 . 1 1 48 48 ARG CD C 13 43.660 0.400 . 1 . . . . 48 ARG CD . 16955 1 581 . 1 1 48 48 ARG CG C 13 27.920 0.400 . 1 . . . . 48 ARG CG . 16955 1 582 . 1 1 48 48 ARG N N 15 115.304 0.400 . 1 . . . . 48 ARG N . 16955 1 583 . 1 1 48 48 ARG NH1 N 15 114.500 0.400 . 1 . . . . 48 ARG NH1 . 16955 1 584 . 1 1 48 48 ARG NH2 N 15 114.500 0.400 . 1 . . . . 48 ARG NH2 . 16955 1 585 . 1 1 49 49 ILE H H 1 7.168 0.020 . 1 . . . . 49 ILE H . 16955 1 586 . 1 1 49 49 ILE HA H 1 3.565 0.020 . 1 . . . . 49 ILE HA . 16955 1 587 . 1 1 49 49 ILE HB H 1 1.832 0.020 . 1 . . . . 49 ILE HB . 16955 1 588 . 1 1 49 49 ILE HD11 H 1 0.660 0.020 . 1 . . . . 49 ILE HD11 . 16955 1 589 . 1 1 49 49 ILE HD12 H 1 0.660 0.020 . 1 . . . . 49 ILE HD12 . 16955 1 590 . 1 1 49 49 ILE HD13 H 1 0.660 0.020 . 1 . . . . 49 ILE HD13 . 16955 1 591 . 1 1 49 49 ILE HG12 H 1 1.035 0.020 . 2 . . . . 49 ILE HG12 . 16955 1 592 . 1 1 49 49 ILE HG13 H 1 1.660 0.020 . 2 . . . . 49 ILE HG13 . 16955 1 593 . 1 1 49 49 ILE HG21 H 1 0.690 0.020 . 1 . . . . 49 ILE HG21 . 16955 1 594 . 1 1 49 49 ILE HG22 H 1 0.690 0.020 . 1 . . . . 49 ILE HG22 . 16955 1 595 . 1 1 49 49 ILE HG23 H 1 0.690 0.020 . 1 . . . . 49 ILE HG23 . 16955 1 596 . 1 1 49 49 ILE C C 13 177.200 0.400 . 1 . . . . 49 ILE C . 16955 1 597 . 1 1 49 49 ILE CA C 13 63.750 0.400 . 1 . . . . 49 ILE CA . 16955 1 598 . 1 1 49 49 ILE CB C 13 38.250 0.400 . 1 . . . . 49 ILE CB . 16955 1 599 . 1 1 49 49 ILE CD1 C 13 13.600 0.400 . 1 . . . . 49 ILE CD1 . 16955 1 600 . 1 1 49 49 ILE CG1 C 13 28.910 0.400 . 1 . . . . 49 ILE CG1 . 16955 1 601 . 1 1 49 49 ILE CG2 C 13 17.200 0.400 . 1 . . . . 49 ILE CG2 . 16955 1 602 . 1 1 49 49 ILE N N 15 117.893 0.400 . 1 . . . . 49 ILE N . 16955 1 603 . 1 1 50 50 LEU H H 1 7.419 0.020 . 1 . . . . 50 LEU H . 16955 1 604 . 1 1 50 50 LEU HA H 1 3.763 0.020 . 1 . . . . 50 LEU HA . 16955 1 605 . 1 1 50 50 LEU HB2 H 1 1.436 0.020 . 2 . . . . 50 LEU HB2 . 16955 1 606 . 1 1 50 50 LEU HB3 H 1 0.897 0.020 . 2 . . . . 50 LEU HB3 . 16955 1 607 . 1 1 50 50 LEU HD11 H 1 0.677 0.020 . 1 . . . . 50 LEU HD11 . 16955 1 608 . 1 1 50 50 LEU HD12 H 1 0.677 0.020 . 1 . . . . 50 LEU HD12 . 16955 1 609 . 1 1 50 50 LEU HD13 H 1 0.677 0.020 . 1 . . . . 50 LEU HD13 . 16955 1 610 . 1 1 50 50 LEU HD21 H 1 0.757 0.020 . 1 . . . . 50 LEU HD21 . 16955 1 611 . 1 1 50 50 LEU HD22 H 1 0.757 0.020 . 1 . . . . 50 LEU HD22 . 16955 1 612 . 1 1 50 50 LEU HD23 H 1 0.757 0.020 . 1 . . . . 50 LEU HD23 . 16955 1 613 . 1 1 50 50 LEU HG H 1 1.695 0.020 . 1 . . . . 50 LEU HG . 16955 1 614 . 1 1 50 50 LEU C C 13 178.400 0.400 . 1 . . . . 50 LEU C . 16955 1 615 . 1 1 50 50 LEU CA C 13 56.570 0.400 . 1 . . . . 50 LEU CA . 16955 1 616 . 1 1 50 50 LEU CB C 13 41.960 0.400 . 1 . . . . 50 LEU CB . 16955 1 617 . 1 1 50 50 LEU CD1 C 13 23.600 0.400 . 1 . . . . 50 LEU CD1 . 16955 1 618 . 1 1 50 50 LEU CD2 C 13 27.800 0.400 . 1 . . . . 50 LEU CD2 . 16955 1 619 . 1 1 50 50 LEU CG C 13 26.780 0.400 . 1 . . . . 50 LEU CG . 16955 1 620 . 1 1 50 50 LEU N N 15 118.435 0.400 . 1 . . . . 50 LEU N . 16955 1 621 . 1 1 51 51 ASP H H 1 7.687 0.020 . 1 . . . . 51 ASP H . 16955 1 622 . 1 1 51 51 ASP HA H 1 4.432 0.020 . 1 . . . . 51 ASP HA . 16955 1 623 . 1 1 51 51 ASP HB2 H 1 1.293 0.020 . 2 . . . . 51 ASP HB2 . 16955 1 624 . 1 1 51 51 ASP HB3 H 1 2.330 0.020 . 2 . . . . 51 ASP HB3 . 16955 1 625 . 1 1 51 51 ASP C C 13 176.600 0.400 . 1 . . . . 51 ASP C . 16955 1 626 . 1 1 51 51 ASP CA C 13 51.760 0.400 . 1 . . . . 51 ASP CA . 16955 1 627 . 1 1 51 51 ASP CB C 13 37.920 0.400 . 1 . . . . 51 ASP CB . 16955 1 628 . 1 1 51 51 ASP N N 15 117.955 0.400 . 1 . . . . 51 ASP N . 16955 1 629 . 1 1 52 52 ASN H H 1 7.369 0.020 . 1 . . . . 52 ASN H . 16955 1 630 . 1 1 52 52 ASN HA H 1 4.166 0.020 . 1 . . . . 52 ASN HA . 16955 1 631 . 1 1 52 52 ASN HB2 H 1 2.644 0.020 . 2 . . . . 52 ASN HB2 . 16955 1 632 . 1 1 52 52 ASN HB3 H 1 2.473 0.020 . 2 . . . . 52 ASN HB3 . 16955 1 633 . 1 1 52 52 ASN HD21 H 1 6.870 0.020 . 2 . . . . 52 ASN HD21 . 16955 1 634 . 1 1 52 52 ASN HD22 H 1 7.940 0.020 . 2 . . . . 52 ASN HD22 . 16955 1 635 . 1 1 52 52 ASN C C 13 175.700 0.400 . 1 . . . . 52 ASN C . 16955 1 636 . 1 1 52 52 ASN CA C 13 56.840 0.400 . 1 . . . . 52 ASN CA . 16955 1 637 . 1 1 52 52 ASN CB C 13 40.650 0.400 . 1 . . . . 52 ASN CB . 16955 1 638 . 1 1 52 52 ASN N N 15 123.586 0.400 . 1 . . . . 52 ASN N . 16955 1 639 . 1 1 52 52 ASN ND2 N 15 113.900 0.400 . 1 . . . . 52 ASN ND2 . 16955 1 640 . 1 1 53 53 ASP H H 1 8.289 0.020 . 1 . . . . 53 ASP H . 16955 1 641 . 1 1 53 53 ASP HA H 1 4.534 0.020 . 1 . . . . 53 ASP HA . 16955 1 642 . 1 1 53 53 ASP HB2 H 1 2.665 0.020 . 2 . . . . 53 ASP HB2 . 16955 1 643 . 1 1 53 53 ASP HB3 H 1 3.047 0.020 . 2 . . . . 53 ASP HB3 . 16955 1 644 . 1 1 53 53 ASP C C 13 176.200 0.400 . 1 . . . . 53 ASP C . 16955 1 645 . 1 1 53 53 ASP CA C 13 52.610 0.400 . 1 . . . . 53 ASP CA . 16955 1 646 . 1 1 53 53 ASP CB C 13 39.670 0.400 . 1 . . . . 53 ASP CB . 16955 1 647 . 1 1 53 53 ASP N N 15 114.414 0.400 . 1 . . . . 53 ASP N . 16955 1 648 . 1 1 54 54 GLN H H 1 7.923 0.020 . 1 . . . . 54 GLN H . 16955 1 649 . 1 1 54 54 GLN HA H 1 3.818 0.020 . 1 . . . . 54 GLN HA . 16955 1 650 . 1 1 54 54 GLN HB2 H 1 2.194 0.020 . 2 . . . . 54 GLN HB2 . 16955 1 651 . 1 1 54 54 GLN HB3 H 1 2.194 0.020 . 2 . . . . 54 GLN HB3 . 16955 1 652 . 1 1 54 54 GLN HE21 H 1 6.685 0.020 . 2 . . . . 54 GLN HE21 . 16955 1 653 . 1 1 54 54 GLN HE22 H 1 7.499 0.020 . 2 . . . . 54 GLN HE22 . 16955 1 654 . 1 1 54 54 GLN HG2 H 1 2.255 0.020 . 2 . . . . 54 GLN HG2 . 16955 1 655 . 1 1 54 54 GLN HG3 H 1 2.255 0.020 . 2 . . . . 54 GLN HG3 . 16955 1 656 . 1 1 54 54 GLN C C 13 175.800 0.400 . 1 . . . . 54 GLN C . 16955 1 657 . 1 1 54 54 GLN CA C 13 57.090 0.400 . 1 . . . . 54 GLN CA . 16955 1 658 . 1 1 54 54 GLN CB C 13 26.070 0.400 . 1 . . . . 54 GLN CB . 16955 1 659 . 1 1 54 54 GLN CG C 13 34.440 0.400 . 1 . . . . 54 GLN CG . 16955 1 660 . 1 1 54 54 GLN N N 15 114.845 0.400 . 1 . . . . 54 GLN N . 16955 1 661 . 1 1 54 54 GLN NE2 N 15 114.700 0.400 . 1 . . . . 54 GLN NE2 . 16955 1 662 . 1 1 55 55 SER H H 1 8.917 0.020 . 1 . . . . 55 SER H . 16955 1 663 . 1 1 55 55 SER HA H 1 4.343 0.020 . 1 . . . . 55 SER HA . 16955 1 664 . 1 1 55 55 SER HB2 H 1 4.220 0.020 . 2 . . . . 55 SER HB2 . 16955 1 665 . 1 1 55 55 SER HB3 H 1 4.220 0.020 . 2 . . . . 55 SER HB3 . 16955 1 666 . 1 1 55 55 SER C C 13 176.100 0.400 . 1 . . . . 55 SER C . 16955 1 667 . 1 1 55 55 SER CA C 13 59.410 0.400 . 1 . . . . 55 SER CA . 16955 1 668 . 1 1 55 55 SER CB C 13 64.400 0.400 . 1 . . . . 55 SER CB . 16955 1 669 . 1 1 55 55 SER N N 15 116.375 0.400 . 1 . . . . 55 SER N . 16955 1 670 . 1 1 56 56 GLY H H 1 10.491 0.020 . 1 . . . . 56 GLY H . 16955 1 671 . 1 1 56 56 GLY HA2 H 1 4.084 0.020 . 2 . . . . 56 GLY HA2 . 16955 1 672 . 1 1 56 56 GLY HA3 H 1 3.320 0.020 . 2 . . . . 56 GLY HA3 . 16955 1 673 . 1 1 56 56 GLY C C 13 171.400 0.400 . 1 . . . . 56 GLY C . 16955 1 674 . 1 1 56 56 GLY CA C 13 44.610 0.400 . 1 . . . . 56 GLY CA . 16955 1 675 . 1 1 56 56 GLY N N 15 114.988 0.400 . 1 . . . . 56 GLY N . 16955 1 676 . 1 1 57 57 PHE H H 1 7.889 0.020 . 1 . . . . 57 PHE H . 16955 1 677 . 1 1 57 57 PHE HA H 1 5.230 0.020 . 1 . . . . 57 PHE HA . 16955 1 678 . 1 1 57 57 PHE HB2 H 1 2.815 0.020 . 2 . . . . 57 PHE HB2 . 16955 1 679 . 1 1 57 57 PHE HB3 H 1 2.473 0.020 . 2 . . . . 57 PHE HB3 . 16955 1 680 . 1 1 57 57 PHE HD1 H 1 6.965 0.020 . 1 . . . . 57 PHE HD1 . 16955 1 681 . 1 1 57 57 PHE HD2 H 1 6.965 0.020 . 1 . . . . 57 PHE HD2 . 16955 1 682 . 1 1 57 57 PHE HE1 H 1 7.358 0.020 . 1 . . . . 57 PHE HE1 . 16955 1 683 . 1 1 57 57 PHE HE2 H 1 7.358 0.020 . 1 . . . . 57 PHE HE2 . 16955 1 684 . 1 1 57 57 PHE C C 13 174.500 0.400 . 1 . . . . 57 PHE C . 16955 1 685 . 1 1 57 57 PHE CA C 13 55.780 0.400 . 1 . . . . 57 PHE CA . 16955 1 686 . 1 1 57 57 PHE CB C 13 43.930 0.400 . 1 . . . . 57 PHE CB . 16955 1 687 . 1 1 57 57 PHE N N 15 113.993 0.400 . 1 . . . . 57 PHE N . 16955 1 688 . 1 1 58 58 ILE H H 1 9.916 0.020 . 1 . . . . 58 ILE H . 16955 1 689 . 1 1 58 58 ILE HA H 1 4.814 0.020 . 1 . . . . 58 ILE HA . 16955 1 690 . 1 1 58 58 ILE HB H 1 1.668 0.020 . 1 . . . . 58 ILE HB . 16955 1 691 . 1 1 58 58 ILE HD11 H 1 0.227 0.020 . 1 . . . . 58 ILE HD11 . 16955 1 692 . 1 1 58 58 ILE HD12 H 1 0.227 0.020 . 1 . . . . 58 ILE HD12 . 16955 1 693 . 1 1 58 58 ILE HD13 H 1 0.227 0.020 . 1 . . . . 58 ILE HD13 . 16955 1 694 . 1 1 58 58 ILE HG12 H 1 0.071 0.020 . 2 . . . . 58 ILE HG12 . 16955 1 695 . 1 1 58 58 ILE HG13 H 1 1.006 0.020 . 2 . . . . 58 ILE HG13 . 16955 1 696 . 1 1 58 58 ILE HG21 H 1 0.704 0.020 . 1 . . . . 58 ILE HG21 . 16955 1 697 . 1 1 58 58 ILE HG22 H 1 0.704 0.020 . 1 . . . . 58 ILE HG22 . 16955 1 698 . 1 1 58 58 ILE HG23 H 1 0.704 0.020 . 1 . . . . 58 ILE HG23 . 16955 1 699 . 1 1 58 58 ILE C C 13 176.700 0.400 . 1 . . . . 58 ILE C . 16955 1 700 . 1 1 58 58 ILE CA C 13 60.170 0.400 . 1 . . . . 58 ILE CA . 16955 1 701 . 1 1 58 58 ILE CB C 13 38.190 0.400 . 1 . . . . 58 ILE CB . 16955 1 702 . 1 1 58 58 ILE CD1 C 13 15.000 0.400 . 1 . . . . 58 ILE CD1 . 16955 1 703 . 1 1 58 58 ILE CG1 C 13 26.050 0.400 . 1 . . . . 58 ILE CG1 . 16955 1 704 . 1 1 58 58 ILE CG2 C 13 18.130 0.400 . 1 . . . . 58 ILE CG2 . 16955 1 705 . 1 1 58 58 ILE N N 15 125.970 0.400 . 1 . . . . 58 ILE N . 16955 1 706 . 1 1 59 59 GLU H H 1 7.846 0.020 . 1 . . . . 59 GLU H . 16955 1 707 . 1 1 59 59 GLU HA H 1 4.528 0.020 . 1 . . . . 59 GLU HA . 16955 1 708 . 1 1 59 59 GLU HB2 H 1 2.040 0.020 . 2 . . . . 59 GLU HB2 . 16955 1 709 . 1 1 59 59 GLU HB3 H 1 2.255 0.020 . 2 . . . . 59 GLU HB3 . 16955 1 710 . 1 1 59 59 GLU HG2 H 1 1.873 0.020 . 2 . . . . 59 GLU HG2 . 16955 1 711 . 1 1 59 59 GLU HG3 H 1 2.630 0.020 . 2 . . . . 59 GLU HG3 . 16955 1 712 . 1 1 59 59 GLU C C 13 177.600 0.400 . 1 . . . . 59 GLU C . 16955 1 713 . 1 1 59 59 GLU CA C 13 57.310 0.400 . 1 . . . . 59 GLU CA . 16955 1 714 . 1 1 59 59 GLU CB C 13 29.400 0.400 . 1 . . . . 59 GLU CB . 16955 1 715 . 1 1 59 59 GLU CG C 13 37.720 0.400 . 1 . . . . 59 GLU CG . 16955 1 716 . 1 1 59 59 GLU N N 15 126.612 0.400 . 1 . . . . 59 GLU N . 16955 1 717 . 1 1 60 60 GLU H H 1 9.491 0.020 . 1 . . . . 60 GLU H . 16955 1 718 . 1 1 60 60 GLU HA H 1 3.572 0.020 . 1 . . . . 60 GLU HA . 16955 1 719 . 1 1 60 60 GLU HB2 H 1 2.023 0.020 . 2 . . . . 60 GLU HB2 . 16955 1 720 . 1 1 60 60 GLU HB3 H 1 2.023 0.020 . 2 . . . . 60 GLU HB3 . 16955 1 721 . 1 1 60 60 GLU HG2 H 1 2.206 0.020 . 2 . . . . 60 GLU HG2 . 16955 1 722 . 1 1 60 60 GLU HG3 H 1 2.038 0.020 . 2 . . . . 60 GLU HG3 . 16955 1 723 . 1 1 60 60 GLU C C 13 178.100 0.400 . 1 . . . . 60 GLU C . 16955 1 724 . 1 1 60 60 GLU CA C 13 61.290 0.400 . 1 . . . . 60 GLU CA . 16955 1 725 . 1 1 60 60 GLU CB C 13 29.570 0.400 . 1 . . . . 60 GLU CB . 16955 1 726 . 1 1 60 60 GLU CG C 13 36.520 0.400 . 1 . . . . 60 GLU CG . 16955 1 727 . 1 1 60 60 GLU N N 15 123.368 0.400 . 1 . . . . 60 GLU N . 16955 1 728 . 1 1 61 61 ASP H H 1 8.704 0.020 . 1 . . . . 61 ASP H . 16955 1 729 . 1 1 61 61 ASP HA H 1 4.302 0.020 . 1 . . . . 61 ASP HA . 16955 1 730 . 1 1 61 61 ASP HB2 H 1 2.644 0.020 . 2 . . . . 61 ASP HB2 . 16955 1 731 . 1 1 61 61 ASP HB3 H 1 2.644 0.020 . 2 . . . . 61 ASP HB3 . 16955 1 732 . 1 1 61 61 ASP C C 13 177.600 0.400 . 1 . . . . 61 ASP C . 16955 1 733 . 1 1 61 61 ASP CA C 13 57.170 0.400 . 1 . . . . 61 ASP CA . 16955 1 734 . 1 1 61 61 ASP CB C 13 40.810 0.400 . 1 . . . . 61 ASP CB . 16955 1 735 . 1 1 61 61 ASP N N 15 114.870 0.400 . 1 . . . . 61 ASP N . 16955 1 736 . 1 1 62 62 GLU H H 1 7.134 0.020 . 1 . . . . 62 GLU H . 16955 1 737 . 1 1 62 62 GLU HA H 1 4.275 0.020 . 1 . . . . 62 GLU HA . 16955 1 738 . 1 1 62 62 GLU HB2 H 1 2.064 0.020 . 2 . . . . 62 GLU HB2 . 16955 1 739 . 1 1 62 62 GLU HB3 H 1 2.596 0.020 . 2 . . . . 62 GLU HB3 . 16955 1 740 . 1 1 62 62 GLU HG2 H 1 2.414 0.020 . 2 . . . . 62 GLU HG2 . 16955 1 741 . 1 1 62 62 GLU HG3 H 1 2.596 0.020 . 2 . . . . 62 GLU HG3 . 16955 1 742 . 1 1 62 62 GLU C C 13 180.500 0.400 . 1 . . . . 62 GLU C . 16955 1 743 . 1 1 62 62 GLU CA C 13 57.740 0.400 . 1 . . . . 62 GLU CA . 16955 1 744 . 1 1 62 62 GLU CB C 13 30.550 0.400 . 1 . . . . 62 GLU CB . 16955 1 745 . 1 1 62 62 GLU CG C 13 36.990 0.400 . 1 . . . . 62 GLU CG . 16955 1 746 . 1 1 62 62 GLU N N 15 115.380 0.400 . 1 . . . . 62 GLU N . 16955 1 747 . 1 1 63 63 LEU H H 1 7.907 0.020 . 1 . . . . 63 LEU H . 16955 1 748 . 1 1 63 63 LEU HA H 1 3.838 0.020 . 1 . . . . 63 LEU HA . 16955 1 749 . 1 1 63 63 LEU HB2 H 1 1.627 0.020 . 2 . . . . 63 LEU HB2 . 16955 1 750 . 1 1 63 63 LEU HB3 H 1 1.429 0.020 . 2 . . . . 63 LEU HB3 . 16955 1 751 . 1 1 63 63 LEU HD11 H 1 0.292 0.020 . 1 . . . . 63 LEU HD11 . 16955 1 752 . 1 1 63 63 LEU HD12 H 1 0.292 0.020 . 1 . . . . 63 LEU HD12 . 16955 1 753 . 1 1 63 63 LEU HD13 H 1 0.292 0.020 . 1 . . . . 63 LEU HD13 . 16955 1 754 . 1 1 63 63 LEU HD21 H 1 0.153 0.020 . 1 . . . . 63 LEU HD21 . 16955 1 755 . 1 1 63 63 LEU HD22 H 1 0.153 0.020 . 1 . . . . 63 LEU HD22 . 16955 1 756 . 1 1 63 63 LEU HD23 H 1 0.153 0.020 . 1 . . . . 63 LEU HD23 . 16955 1 757 . 1 1 63 63 LEU HG H 1 1.350 0.020 . 1 . . . . 63 LEU HG . 16955 1 758 . 1 1 63 63 LEU C C 13 178.001 0.400 . 1 . . . . 63 LEU C . 16955 1 759 . 1 1 63 63 LEU CA C 13 56.710 0.400 . 1 . . . . 63 LEU CA . 16955 1 760 . 1 1 63 63 LEU CB C 13 41.960 0.400 . 1 . . . . 63 LEU CB . 16955 1 761 . 1 1 63 63 LEU CD1 C 13 23.900 0.400 . 1 . . . . 63 LEU CD1 . 16955 1 762 . 1 1 63 63 LEU CD2 C 13 23.800 0.400 . 1 . . . . 63 LEU CD2 . 16955 1 763 . 1 1 63 63 LEU CG C 13 25.680 0.400 . 1 . . . . 63 LEU CG . 16955 1 764 . 1 1 63 63 LEU N N 15 121.278 0.400 . 1 . . . . 63 LEU N . 16955 1 765 . 1 1 64 64 LYS H H 1 7.228 0.020 . 1 . . . . 64 LYS H . 16955 1 766 . 1 1 64 64 LYS HA H 1 3.872 0.020 . 1 . . . . 64 LYS HA . 16955 1 767 . 1 1 64 64 LYS HB2 H 1 1.484 0.020 . 2 . . . . 64 LYS HB2 . 16955 1 768 . 1 1 64 64 LYS HB3 H 1 1.620 0.020 . 2 . . . . 64 LYS HB3 . 16955 1 769 . 1 1 64 64 LYS HD2 H 1 1.492 0.020 . 2 . . . . 64 LYS HD2 . 16955 1 770 . 1 1 64 64 LYS HD3 H 1 1.492 0.020 . 2 . . . . 64 LYS HD3 . 16955 1 771 . 1 1 64 64 LYS HE2 H 1 2.781 0.020 . 2 . . . . 64 LYS HE2 . 16955 1 772 . 1 1 64 64 LYS HE3 H 1 2.781 0.020 . 2 . . . . 64 LYS HE3 . 16955 1 773 . 1 1 64 64 LYS HG2 H 1 0.854 0.020 . 2 . . . . 64 LYS HG2 . 16955 1 774 . 1 1 64 64 LYS HG3 H 1 0.854 0.020 . 2 . . . . 64 LYS HG3 . 16955 1 775 . 1 1 64 64 LYS C C 13 177.600 0.400 . 1 . . . . 64 LYS C . 16955 1 776 . 1 1 64 64 LYS CA C 13 58.940 0.400 . 1 . . . . 64 LYS CA . 16955 1 777 . 1 1 64 64 LYS CB C 13 31.530 0.400 . 1 . . . . 64 LYS CB . 16955 1 778 . 1 1 64 64 LYS CD C 13 29.490 0.400 . 1 . . . . 64 LYS CD . 16955 1 779 . 1 1 64 64 LYS CE C 13 42.100 0.400 . 1 . . . . 64 LYS CE . 16955 1 780 . 1 1 64 64 LYS CG C 13 23.810 0.400 . 1 . . . . 64 LYS CG . 16955 1 781 . 1 1 64 64 LYS N N 15 115.522 0.400 . 1 . . . . 64 LYS N . 16955 1 782 . 1 1 65 65 TYR H H 1 6.822 0.020 . 1 . . . . 65 TYR H . 16955 1 783 . 1 1 65 65 TYR HA H 1 4.487 0.020 . 1 . . . . 65 TYR HA . 16955 1 784 . 1 1 65 65 TYR HB2 H 1 3.442 0.020 . 2 . . . . 65 TYR HB2 . 16955 1 785 . 1 1 65 65 TYR HB3 H 1 2.508 0.020 . 2 . . . . 65 TYR HB3 . 16955 1 786 . 1 1 65 65 TYR HD1 H 1 7.184 0.020 . 1 . . . . 65 TYR HD1 . 16955 1 787 . 1 1 65 65 TYR HD2 H 1 7.184 0.020 . 1 . . . . 65 TYR HD2 . 16955 1 788 . 1 1 65 65 TYR HE1 H 1 6.831 0.020 . 1 . . . . 65 TYR HE1 . 16955 1 789 . 1 1 65 65 TYR HE2 H 1 6.831 0.020 . 1 . . . . 65 TYR HE2 . 16955 1 790 . 1 1 65 65 TYR C C 13 174.300 0.400 . 1 . . . . 65 TYR C . 16955 1 791 . 1 1 65 65 TYR CA C 13 58.150 0.400 . 1 . . . . 65 TYR CA . 16955 1 792 . 1 1 65 65 TYR CB C 13 37.970 0.400 . 1 . . . . 65 TYR CB . 16955 1 793 . 1 1 65 65 TYR N N 15 116.431 0.400 . 1 . . . . 65 TYR N . 16955 1 794 . 1 1 66 66 PHE H H 1 7.682 0.020 . 1 . . . . 66 PHE H . 16955 1 795 . 1 1 66 66 PHE HA H 1 3.893 0.020 . 1 . . . . 66 PHE HA . 16955 1 796 . 1 1 66 66 PHE HB2 H 1 3.558 0.020 . 2 . . . . 66 PHE HB2 . 16955 1 797 . 1 1 66 66 PHE HB3 H 1 2.576 0.020 . 2 . . . . 66 PHE HB3 . 16955 1 798 . 1 1 66 66 PHE HD1 H 1 6.871 0.020 . 1 . . . . 66 PHE HD1 . 16955 1 799 . 1 1 66 66 PHE HD2 H 1 6.871 0.020 . 1 . . . . 66 PHE HD2 . 16955 1 800 . 1 1 66 66 PHE HE1 H 1 6.590 0.020 . 1 . . . . 66 PHE HE1 . 16955 1 801 . 1 1 66 66 PHE HE2 H 1 6.590 0.020 . 1 . . . . 66 PHE HE2 . 16955 1 802 . 1 1 66 66 PHE C C 13 175.800 0.400 . 1 . . . . 66 PHE C . 16955 1 803 . 1 1 66 66 PHE CA C 13 62.790 0.400 . 1 . . . . 66 PHE CA . 16955 1 804 . 1 1 66 66 PHE CB C 13 42.010 0.400 . 1 . . . . 66 PHE CB . 16955 1 805 . 1 1 66 66 PHE N N 15 118.880 0.400 . 1 . . . . 66 PHE N . 16955 1 806 . 1 1 67 67 LEU H H 1 8.519 0.020 . 1 . . . . 67 LEU H . 16955 1 807 . 1 1 67 67 LEU HA H 1 3.886 0.020 . 1 . . . . 67 LEU HA . 16955 1 808 . 1 1 67 67 LEU HB2 H 1 2.064 0.020 . 2 . . . . 67 LEU HB2 . 16955 1 809 . 1 1 67 67 LEU HB3 H 1 1.272 0.020 . 2 . . . . 67 LEU HB3 . 16955 1 810 . 1 1 67 67 LEU HD11 H 1 0.817 0.020 . 1 . . . . 67 LEU HD11 . 16955 1 811 . 1 1 67 67 LEU HD12 H 1 0.817 0.020 . 1 . . . . 67 LEU HD12 . 16955 1 812 . 1 1 67 67 LEU HD13 H 1 0.817 0.020 . 1 . . . . 67 LEU HD13 . 16955 1 813 . 1 1 67 67 LEU HD21 H 1 0.632 0.020 . 1 . . . . 67 LEU HD21 . 16955 1 814 . 1 1 67 67 LEU HD22 H 1 0.632 0.020 . 1 . . . . 67 LEU HD22 . 16955 1 815 . 1 1 67 67 LEU HD23 H 1 0.632 0.020 . 1 . . . . 67 LEU HD23 . 16955 1 816 . 1 1 67 67 LEU HG H 1 1.480 0.020 . 1 . . . . 67 LEU HG . 16955 1 817 . 1 1 67 67 LEU C C 13 180.300 0.400 . 1 . . . . 67 LEU C . 16955 1 818 . 1 1 67 67 LEU CA C 13 57.510 0.400 . 1 . . . . 67 LEU CA . 16955 1 819 . 1 1 67 67 LEU CB C 13 41.090 0.400 . 1 . . . . 67 LEU CB . 16955 1 820 . 1 1 67 67 LEU CD1 C 13 25.700 0.400 . 1 . . . . 67 LEU CD1 . 16955 1 821 . 1 1 67 67 LEU CD2 C 13 23.200 0.400 . 1 . . . . 67 LEU CD2 . 16955 1 822 . 1 1 67 67 LEU CG C 13 26.500 0.400 . 1 . . . . 67 LEU CG . 16955 1 823 . 1 1 67 67 LEU N N 15 112.674 0.400 . 1 . . . . 67 LEU N . 16955 1 824 . 1 1 68 68 GLN H H 1 7.328 0.020 . 1 . . . . 68 GLN H . 16955 1 825 . 1 1 68 68 GLN HA H 1 4.630 0.020 . 1 . . . . 68 GLN HA . 16955 1 826 . 1 1 68 68 GLN HB2 H 1 2.068 0.020 . 2 . . . . 68 GLN HB2 . 16955 1 827 . 1 1 68 68 GLN HB3 H 1 2.068 0.020 . 2 . . . . 68 GLN HB3 . 16955 1 828 . 1 1 68 68 GLN HE21 H 1 7.433 0.020 . 2 . . . . 68 GLN HE21 . 16955 1 829 . 1 1 68 68 GLN HE22 H 1 6.653 0.020 . 2 . . . . 68 GLN HE22 . 16955 1 830 . 1 1 68 68 GLN HG2 H 1 2.378 0.020 . 2 . . . . 68 GLN HG2 . 16955 1 831 . 1 1 68 68 GLN HG3 H 1 2.378 0.020 . 2 . . . . 68 GLN HG3 . 16955 1 832 . 1 1 68 68 GLN C C 13 178.001 0.400 . 1 . . . . 68 GLN C . 16955 1 833 . 1 1 68 68 GLN CA C 13 56.710 0.400 . 1 . . . . 68 GLN CA . 16955 1 834 . 1 1 68 68 GLN CB C 13 27.380 0.400 . 1 . . . . 68 GLN CB . 16955 1 835 . 1 1 68 68 GLN CG C 13 34.800 0.400 . 1 . . . . 68 GLN CG . 16955 1 836 . 1 1 68 68 GLN N N 15 116.208 0.400 . 1 . . . . 68 GLN N . 16955 1 837 . 1 1 68 68 GLN NE2 N 15 108.700 0.400 . 1 . . . . 68 GLN NE2 . 16955 1 838 . 1 1 69 69 ARG H H 1 7.463 0.020 . 1 . . . . 69 ARG H . 16955 1 839 . 1 1 69 69 ARG HA H 1 3.893 0.020 . 1 . . . . 69 ARG HA . 16955 1 840 . 1 1 69 69 ARG HB2 H 1 1.538 0.020 . 2 . . . . 69 ARG HB2 . 16955 1 841 . 1 1 69 69 ARG HB3 H 1 1.313 0.020 . 2 . . . . 69 ARG HB3 . 16955 1 842 . 1 1 69 69 ARG HD2 H 1 2.940 0.020 . 2 . . . . 69 ARG HD2 . 16955 1 843 . 1 1 69 69 ARG HD3 H 1 2.940 0.020 . 2 . . . . 69 ARG HD3 . 16955 1 844 . 1 1 69 69 ARG HG2 H 1 1.907 0.020 . 2 . . . . 69 ARG HG2 . 16955 1 845 . 1 1 69 69 ARG HG3 H 1 1.907 0.020 . 2 . . . . 69 ARG HG3 . 16955 1 846 . 1 1 69 69 ARG HH11 H 1 7.398 0.020 . 2 . . . . 69 ARG HH11 . 16955 1 847 . 1 1 69 69 ARG HH12 H 1 7.398 0.020 . 2 . . . . 69 ARG HH12 . 16955 1 848 . 1 1 69 69 ARG HH21 H 1 7.269 0.020 . 2 . . . . 69 ARG HH21 . 16955 1 849 . 1 1 69 69 ARG HH22 H 1 7.269 0.020 . 2 . . . . 69 ARG HH22 . 16955 1 850 . 1 1 69 69 ARG C C 13 176.200 0.400 . 1 . . . . 69 ARG C . 16955 1 851 . 1 1 69 69 ARG CA C 13 55.720 0.400 . 1 . . . . 69 ARG CA . 16955 1 852 . 1 1 69 69 ARG CB C 13 27.930 0.400 . 1 . . . . 69 ARG CB . 16955 1 853 . 1 1 69 69 ARG CD C 13 42.050 0.400 . 1 . . . . 69 ARG CD . 16955 1 854 . 1 1 69 69 ARG CG C 13 26.050 0.400 . 1 . . . . 69 ARG CG . 16955 1 855 . 1 1 69 69 ARG N N 15 117.971 0.400 . 1 . . . . 69 ARG N . 16955 1 856 . 1 1 69 69 ARG NH1 N 15 114.700 0.400 . 1 . . . . 69 ARG NH1 . 16955 1 857 . 1 1 69 69 ARG NH2 N 15 114.700 0.400 . 1 . . . . 69 ARG NH2 . 16955 1 858 . 1 1 70 70 PHE H H 1 7.496 0.020 . 1 . . . . 70 PHE H . 16955 1 859 . 1 1 70 70 PHE HA H 1 4.084 0.020 . 1 . . . . 70 PHE HA . 16955 1 860 . 1 1 70 70 PHE HB2 H 1 3.313 0.020 . 2 . . . . 70 PHE HB2 . 16955 1 861 . 1 1 70 70 PHE HB3 H 1 2.937 0.020 . 2 . . . . 70 PHE HB3 . 16955 1 862 . 1 1 70 70 PHE HD1 H 1 7.300 0.020 . 1 . . . . 70 PHE HD1 . 16955 1 863 . 1 1 70 70 PHE HD2 H 1 7.300 0.020 . 1 . . . . 70 PHE HD2 . 16955 1 864 . 1 1 70 70 PHE HE1 H 1 6.610 0.020 . 1 . . . . 70 PHE HE1 . 16955 1 865 . 1 1 70 70 PHE HE2 H 1 6.610 0.020 . 1 . . . . 70 PHE HE2 . 16955 1 866 . 1 1 70 70 PHE C C 13 176.001 0.400 . 1 . . . . 70 PHE C . 16955 1 867 . 1 1 70 70 PHE CA C 13 59.760 0.400 . 1 . . . . 70 PHE CA . 16955 1 868 . 1 1 70 70 PHE CB C 13 39.120 0.400 . 1 . . . . 70 PHE CB . 16955 1 869 . 1 1 70 70 PHE N N 15 115.783 0.400 . 1 . . . . 70 PHE N . 16955 1 870 . 1 1 71 71 GLU H H 1 7.625 0.020 . 1 . . . . 71 GLU H . 16955 1 871 . 1 1 71 71 GLU HA H 1 4.371 0.020 . 1 . . . . 71 GLU HA . 16955 1 872 . 1 1 71 71 GLU HB2 H 1 1.805 0.020 . 2 . . . . 71 GLU HB2 . 16955 1 873 . 1 1 71 71 GLU HB3 H 1 1.941 0.020 . 2 . . . . 71 GLU HB3 . 16955 1 874 . 1 1 71 71 GLU HG2 H 1 2.214 0.020 . 2 . . . . 71 GLU HG2 . 16955 1 875 . 1 1 71 71 GLU HG3 H 1 2.214 0.020 . 2 . . . . 71 GLU HG3 . 16955 1 876 . 1 1 71 71 GLU C C 13 175.700 0.400 . 1 . . . . 71 GLU C . 16955 1 877 . 1 1 71 71 GLU CA C 13 56.710 0.400 . 1 . . . . 71 GLU CA . 16955 1 878 . 1 1 71 71 GLU CB C 13 33.010 0.400 . 1 . . . . 71 GLU CB . 16955 1 879 . 1 1 71 71 GLU CG C 13 36.680 0.400 . 1 . . . . 71 GLU CG . 16955 1 880 . 1 1 71 71 GLU N N 15 120.313 0.400 . 1 . . . . 71 GLU N . 16955 1 881 . 1 1 72 72 SER H H 1 8.774 0.020 . 1 . . . . 72 SER H . 16955 1 882 . 1 1 72 72 SER HA H 1 4.275 0.020 . 1 . . . . 72 SER HA . 16955 1 883 . 1 1 72 72 SER HB2 H 1 3.886 0.020 . 2 . . . . 72 SER HB2 . 16955 1 884 . 1 1 72 72 SER HB3 H 1 3.886 0.020 . 2 . . . . 72 SER HB3 . 16955 1 885 . 1 1 72 72 SER C C 13 175.300 0.400 . 1 . . . . 72 SER C . 16955 1 886 . 1 1 72 72 SER CA C 13 61.730 0.400 . 1 . . . . 72 SER CA . 16955 1 887 . 1 1 72 72 SER CB C 13 62.920 0.400 . 1 . . . . 72 SER CB . 16955 1 888 . 1 1 72 72 SER N N 15 122.457 0.400 . 1 . . . . 72 SER N . 16955 1 889 . 1 1 73 73 GLY H H 1 8.687 0.020 . 1 . . . . 73 GLY H . 16955 1 890 . 1 1 73 73 GLY HA2 H 1 4.166 0.020 . 2 . . . . 73 GLY HA2 . 16955 1 891 . 1 1 73 73 GLY HA3 H 1 3.722 0.020 . 2 . . . . 73 GLY HA3 . 16955 1 892 . 1 1 73 73 GLY C C 13 174.300 0.400 . 1 . . . . 73 GLY C . 16955 1 893 . 1 1 73 73 GLY CA C 13 44.970 0.400 . 1 . . . . 73 GLY CA . 16955 1 894 . 1 1 73 73 GLY N N 15 109.225 0.400 . 1 . . . . 73 GLY N . 16955 1 895 . 1 1 74 74 ALA H H 1 7.771 0.020 . 1 . . . . 74 ALA H . 16955 1 896 . 1 1 74 74 ALA HA H 1 4.323 0.020 . 1 . . . . 74 ALA HA . 16955 1 897 . 1 1 74 74 ALA HB1 H 1 1.429 0.020 . 1 . . . . 74 ALA HB1 . 16955 1 898 . 1 1 74 74 ALA HB2 H 1 1.429 0.020 . 1 . . . . 74 ALA HB2 . 16955 1 899 . 1 1 74 74 ALA HB3 H 1 1.429 0.020 . 1 . . . . 74 ALA HB3 . 16955 1 900 . 1 1 74 74 ALA C C 13 175.900 0.400 . 1 . . . . 74 ALA C . 16955 1 901 . 1 1 74 74 ALA CA C 13 51.820 0.400 . 1 . . . . 74 ALA CA . 16955 1 902 . 1 1 74 74 ALA CB C 13 20.890 0.400 . 1 . . . . 74 ALA CB . 16955 1 903 . 1 1 74 74 ALA N N 15 122.808 0.400 . 1 . . . . 74 ALA N . 16955 1 904 . 1 1 75 75 ARG H H 1 8.241 0.020 . 1 . . . . 75 ARG H . 16955 1 905 . 1 1 75 75 ARG HA H 1 4.521 0.020 . 1 . . . . 75 ARG HA . 16955 1 906 . 1 1 75 75 ARG HB2 H 1 1.996 0.020 . 2 . . . . 75 ARG HB2 . 16955 1 907 . 1 1 75 75 ARG HB3 H 1 1.798 0.020 . 2 . . . . 75 ARG HB3 . 16955 1 908 . 1 1 75 75 ARG HD2 H 1 3.268 0.020 . 2 . . . . 75 ARG HD2 . 16955 1 909 . 1 1 75 75 ARG HD3 H 1 3.072 0.020 . 2 . . . . 75 ARG HD3 . 16955 1 910 . 1 1 75 75 ARG HE H 1 10.860 0.020 . 1 . . . . 75 ARG HE . 16955 1 911 . 1 1 75 75 ARG HG2 H 1 1.490 0.020 . 2 . . . . 75 ARG HG2 . 16955 1 912 . 1 1 75 75 ARG HG3 H 1 1.286 0.020 . 2 . . . . 75 ARG HG3 . 16955 1 913 . 1 1 75 75 ARG HH11 H 1 6.550 0.020 . 2 . . . . 75 ARG HH11 . 16955 1 914 . 1 1 75 75 ARG HH12 H 1 6.550 0.020 . 2 . . . . 75 ARG HH12 . 16955 1 915 . 1 1 75 75 ARG HH21 H 1 6.680 0.020 . 2 . . . . 75 ARG HH21 . 16955 1 916 . 1 1 75 75 ARG HH22 H 1 6.680 0.020 . 2 . . . . 75 ARG HH22 . 16955 1 917 . 1 1 75 75 ARG C C 13 175.800 0.400 . 1 . . . . 75 ARG C . 16955 1 918 . 1 1 75 75 ARG CA C 13 54.820 0.400 . 1 . . . . 75 ARG CA . 16955 1 919 . 1 1 75 75 ARG CB C 13 30.660 0.400 . 1 . . . . 75 ARG CB . 16955 1 920 . 1 1 75 75 ARG CD C 13 42.830 0.400 . 1 . . . . 75 ARG CD . 16955 1 921 . 1 1 75 75 ARG CG C 13 27.040 0.400 . 1 . . . . 75 ARG CG . 16955 1 922 . 1 1 75 75 ARG N N 15 117.062 0.400 . 1 . . . . 75 ARG N . 16955 1 923 . 1 1 75 75 ARG NH1 N 15 114.800 0.400 . 1 . . . . 75 ARG NH1 . 16955 1 924 . 1 1 75 75 ARG NH2 N 15 114.800 0.400 . 1 . . . . 75 ARG NH2 . 16955 1 925 . 1 1 76 76 VAL H H 1 7.930 0.020 . 1 . . . . 76 VAL H . 16955 1 926 . 1 1 76 76 VAL HA H 1 4.009 0.020 . 1 . . . . 76 VAL HA . 16955 1 927 . 1 1 76 76 VAL HB H 1 1.927 0.020 . 1 . . . . 76 VAL HB . 16955 1 928 . 1 1 76 76 VAL HG11 H 1 0.858 0.020 . 1 . . . . 76 VAL HG11 . 16955 1 929 . 1 1 76 76 VAL HG12 H 1 0.858 0.020 . 1 . . . . 76 VAL HG12 . 16955 1 930 . 1 1 76 76 VAL HG13 H 1 0.858 0.020 . 1 . . . . 76 VAL HG13 . 16955 1 931 . 1 1 76 76 VAL HG21 H 1 0.860 0.020 . 1 . . . . 76 VAL HG21 . 16955 1 932 . 1 1 76 76 VAL HG22 H 1 0.860 0.020 . 1 . . . . 76 VAL HG22 . 16955 1 933 . 1 1 76 76 VAL HG23 H 1 0.860 0.020 . 1 . . . . 76 VAL HG23 . 16955 1 934 . 1 1 76 76 VAL C C 13 177.300 0.400 . 1 . . . . 76 VAL C . 16955 1 935 . 1 1 76 76 VAL CA C 13 61.650 0.400 . 1 . . . . 76 VAL CA . 16955 1 936 . 1 1 76 76 VAL CB C 13 32.620 0.400 . 1 . . . . 76 VAL CB . 16955 1 937 . 1 1 76 76 VAL CG1 C 13 21.720 0.400 . 1 . . . . 76 VAL CG1 . 16955 1 938 . 1 1 76 76 VAL CG2 C 13 20.060 0.400 . 1 . . . . 76 VAL CG2 . 16955 1 939 . 1 1 76 76 VAL N N 15 114.586 0.400 . 1 . . . . 76 VAL N . 16955 1 940 . 1 1 77 77 LEU H H 1 8.258 0.020 . 1 . . . . 77 LEU H . 16955 1 941 . 1 1 77 77 LEU HA H 1 4.473 0.020 . 1 . . . . 77 LEU HA . 16955 1 942 . 1 1 77 77 LEU HB2 H 1 1.716 0.020 . 2 . . . . 77 LEU HB2 . 16955 1 943 . 1 1 77 77 LEU HB3 H 1 1.470 0.020 . 2 . . . . 77 LEU HB3 . 16955 1 944 . 1 1 77 77 LEU HD11 H 1 0.422 0.020 . 1 . . . . 77 LEU HD11 . 16955 1 945 . 1 1 77 77 LEU HD12 H 1 0.422 0.020 . 1 . . . . 77 LEU HD12 . 16955 1 946 . 1 1 77 77 LEU HD13 H 1 0.422 0.020 . 1 . . . . 77 LEU HD13 . 16955 1 947 . 1 1 77 77 LEU HD21 H 1 0.234 0.020 . 1 . . . . 77 LEU HD21 . 16955 1 948 . 1 1 77 77 LEU HD22 H 1 0.234 0.020 . 1 . . . . 77 LEU HD22 . 16955 1 949 . 1 1 77 77 LEU HD23 H 1 0.234 0.020 . 1 . . . . 77 LEU HD23 . 16955 1 950 . 1 1 77 77 LEU HG H 1 1.637 0.020 . 1 . . . . 77 LEU HG . 16955 1 951 . 1 1 77 77 LEU C C 13 178.100 0.400 . 1 . . . . 77 LEU C . 16955 1 952 . 1 1 77 77 LEU CA C 13 55.120 0.400 . 1 . . . . 77 LEU CA . 16955 1 953 . 1 1 77 77 LEU CB C 13 42.180 0.400 . 1 . . . . 77 LEU CB . 16955 1 954 . 1 1 77 77 LEU CD1 C 13 25.700 0.400 . 1 . . . . 77 LEU CD1 . 16955 1 955 . 1 1 77 77 LEU CD2 C 13 22.300 0.400 . 1 . . . . 77 LEU CD2 . 16955 1 956 . 1 1 77 77 LEU CG C 13 27.510 0.400 . 1 . . . . 77 LEU CG . 16955 1 957 . 1 1 77 77 LEU N N 15 123.954 0.400 . 1 . . . . 77 LEU N . 16955 1 958 . 1 1 78 78 THR H H 1 9.881 0.020 . 1 . . . . 78 THR H . 16955 1 959 . 1 1 78 78 THR HA H 1 4.282 0.020 . 1 . . . . 78 THR HA . 16955 1 960 . 1 1 78 78 THR HB H 1 4.835 0.020 . 1 . . . . 78 THR HB . 16955 1 961 . 1 1 78 78 THR HG21 H 1 1.341 0.020 . 1 . . . . 78 THR HG21 . 16955 1 962 . 1 1 78 78 THR HG22 H 1 1.341 0.020 . 1 . . . . 78 THR HG22 . 16955 1 963 . 1 1 78 78 THR HG23 H 1 1.341 0.020 . 1 . . . . 78 THR HG23 . 16955 1 964 . 1 1 78 78 THR C C 13 176.001 0.400 . 1 . . . . 78 THR C . 16955 1 965 . 1 1 78 78 THR CA C 13 60.690 0.400 . 1 . . . . 78 THR CA . 16955 1 966 . 1 1 78 78 THR CB C 13 71.060 0.400 . 1 . . . . 78 THR CB . 16955 1 967 . 1 1 78 78 THR CG2 C 13 21.930 0.400 . 1 . . . . 78 THR CG2 . 16955 1 968 . 1 1 78 78 THR N N 15 112.962 0.400 . 1 . . . . 78 THR N . 16955 1 969 . 1 1 79 79 ALA H H 1 9.029 0.020 . 1 . . . . 79 ALA H . 16955 1 970 . 1 1 79 79 ALA HA H 1 4.220 0.020 . 1 . . . . 79 ALA HA . 16955 1 971 . 1 1 79 79 ALA HB1 H 1 1.457 0.020 . 1 . . . . 79 ALA HB1 . 16955 1 972 . 1 1 79 79 ALA HB2 H 1 1.457 0.020 . 1 . . . . 79 ALA HB2 . 16955 1 973 . 1 1 79 79 ALA HB3 H 1 1.457 0.020 . 1 . . . . 79 ALA HB3 . 16955 1 974 . 1 1 79 79 ALA C C 13 180.500 0.400 . 1 . . . . 79 ALA C . 16955 1 975 . 1 1 79 79 ALA CA C 13 55.400 0.400 . 1 . . . . 79 ALA CA . 16955 1 976 . 1 1 79 79 ALA CB C 13 17.830 0.400 . 1 . . . . 79 ALA CB . 16955 1 977 . 1 1 79 79 ALA N N 15 124.851 0.400 . 1 . . . . 79 ALA N . 16955 1 978 . 1 1 80 80 SER H H 1 8.441 0.020 . 1 . . . . 80 SER H . 16955 1 979 . 1 1 80 80 SER HA H 1 4.248 0.020 . 1 . . . . 80 SER HA . 16955 1 980 . 1 1 80 80 SER HB2 H 1 3.913 0.020 . 2 . . . . 80 SER HB2 . 16955 1 981 . 1 1 80 80 SER HB3 H 1 3.913 0.020 . 2 . . . . 80 SER HB3 . 16955 1 982 . 1 1 80 80 SER C C 13 177.600 0.400 . 1 . . . . 80 SER C . 16955 1 983 . 1 1 80 80 SER CA C 13 61.460 0.400 . 1 . . . . 80 SER CA . 16955 1 984 . 1 1 80 80 SER CB C 13 62.600 0.400 . 1 . . . . 80 SER CB . 16955 1 985 . 1 1 80 80 SER N N 15 112.817 0.400 . 1 . . . . 80 SER N . 16955 1 986 . 1 1 81 81 GLU H H 1 8.047 0.020 . 1 . . . . 81 GLU H . 16955 1 987 . 1 1 81 81 GLU HA H 1 4.104 0.020 . 1 . . . . 81 GLU HA . 16955 1 988 . 1 1 81 81 GLU HB2 H 1 2.610 0.020 . 2 . . . . 81 GLU HB2 . 16955 1 989 . 1 1 81 81 GLU HB3 H 1 1.852 0.020 . 2 . . . . 81 GLU HB3 . 16955 1 990 . 1 1 81 81 GLU HG2 H 1 2.820 0.020 . 2 . . . . 81 GLU HG2 . 16955 1 991 . 1 1 81 81 GLU HG3 H 1 2.520 0.020 . 2 . . . . 81 GLU HG3 . 16955 1 992 . 1 1 81 81 GLU C C 13 179.800 0.400 . 1 . . . . 81 GLU C . 16955 1 993 . 1 1 81 81 GLU CA C 13 59.300 0.400 . 1 . . . . 81 GLU CA . 16955 1 994 . 1 1 81 81 GLU CB C 13 31.370 0.400 . 1 . . . . 81 GLU CB . 16955 1 995 . 1 1 81 81 GLU CG C 13 38.240 0.400 . 1 . . . . 81 GLU CG . 16955 1 996 . 1 1 81 81 GLU N N 15 123.054 0.400 . 1 . . . . 81 GLU N . 16955 1 997 . 1 1 82 82 THR H H 1 8.812 0.020 . 1 . . . . 82 THR H . 16955 1 998 . 1 1 82 82 THR HA H 1 3.647 0.020 . 1 . . . . 82 THR HA . 16955 1 999 . 1 1 82 82 THR HB H 1 4.220 0.020 . 1 . . . . 82 THR HB . 16955 1 1000 . 1 1 82 82 THR HG21 H 1 1.068 0.020 . 1 . . . . 82 THR HG21 . 16955 1 1001 . 1 1 82 82 THR HG22 H 1 1.068 0.020 . 1 . . . . 82 THR HG22 . 16955 1 1002 . 1 1 82 82 THR HG23 H 1 1.068 0.020 . 1 . . . . 82 THR HG23 . 16955 1 1003 . 1 1 82 82 THR C C 13 176.200 0.400 . 1 . . . . 82 THR C . 16955 1 1004 . 1 1 82 82 THR CA C 13 67.760 0.400 . 1 . . . . 82 THR CA . 16955 1 1005 . 1 1 82 82 THR CB C 13 67.800 0.400 . 1 . . . . 82 THR CB . 16955 1 1006 . 1 1 82 82 THR CG2 C 13 22.350 0.400 . 1 . . . . 82 THR CG2 . 16955 1 1007 . 1 1 82 82 THR N N 15 114.612 0.400 . 1 . . . . 82 THR N . 16955 1 1008 . 1 1 83 83 LYS H H 1 8.109 0.020 . 1 . . . . 83 LYS H . 16955 1 1009 . 1 1 83 83 LYS HA H 1 3.961 0.020 . 1 . . . . 83 LYS HA . 16955 1 1010 . 1 1 83 83 LYS HB2 H 1 2.043 0.020 . 2 . . . . 83 LYS HB2 . 16955 1 1011 . 1 1 83 83 LYS HB3 H 1 1.921 0.020 . 2 . . . . 83 LYS HB3 . 16955 1 1012 . 1 1 83 83 LYS HD2 H 1 1.660 0.020 . 2 . . . . 83 LYS HD2 . 16955 1 1013 . 1 1 83 83 LYS HD3 H 1 1.660 0.020 . 2 . . . . 83 LYS HD3 . 16955 1 1014 . 1 1 83 83 LYS HE2 H 1 2.978 0.020 . 2 . . . . 83 LYS HE2 . 16955 1 1015 . 1 1 83 83 LYS HE3 H 1 2.978 0.020 . 2 . . . . 83 LYS HE3 . 16955 1 1016 . 1 1 83 83 LYS HG2 H 1 1.507 0.020 . 2 . . . . 83 LYS HG2 . 16955 1 1017 . 1 1 83 83 LYS HG3 H 1 1.559 0.020 . 2 . . . . 83 LYS HG3 . 16955 1 1018 . 1 1 83 83 LYS C C 13 179.800 0.400 . 1 . . . . 83 LYS C . 16955 1 1019 . 1 1 83 83 LYS CA C 13 59.630 0.400 . 1 . . . . 83 LYS CA . 16955 1 1020 . 1 1 83 83 LYS CB C 13 32.350 0.400 . 1 . . . . 83 LYS CB . 16955 1 1021 . 1 1 83 83 LYS CD C 13 28.910 0.400 . 1 . . . . 83 LYS CD . 16955 1 1022 . 1 1 83 83 LYS CE C 13 42.050 0.400 . 1 . . . . 83 LYS CE . 16955 1 1023 . 1 1 83 83 LYS CG C 13 24.900 0.400 . 1 . . . . 83 LYS CG . 16955 1 1024 . 1 1 83 83 LYS N N 15 121.725 0.400 . 1 . . . . 83 LYS N . 16955 1 1025 . 1 1 84 84 THR H H 1 8.203 0.020 . 1 . . . . 84 THR H . 16955 1 1026 . 1 1 84 84 THR HA H 1 3.961 0.020 . 1 . . . . 84 THR HA . 16955 1 1027 . 1 1 84 84 THR HB H 1 4.289 0.020 . 1 . . . . 84 THR HB . 16955 1 1028 . 1 1 84 84 THR HG21 H 1 1.272 0.020 . 1 . . . . 84 THR HG21 . 16955 1 1029 . 1 1 84 84 THR HG22 H 1 1.272 0.020 . 1 . . . . 84 THR HG22 . 16955 1 1030 . 1 1 84 84 THR HG23 H 1 1.272 0.020 . 1 . . . . 84 THR HG23 . 16955 1 1031 . 1 1 84 84 THR C C 13 176.600 0.400 . 1 . . . . 84 THR C . 16955 1 1032 . 1 1 84 84 THR CA C 13 66.310 0.400 . 1 . . . . 84 THR CA . 16955 1 1033 . 1 1 84 84 THR CB C 13 68.820 0.400 . 1 . . . . 84 THR CB . 16955 1 1034 . 1 1 84 84 THR CG2 C 13 21.670 0.400 . 1 . . . . 84 THR CG2 . 16955 1 1035 . 1 1 84 84 THR N N 15 116.251 0.400 . 1 . . . . 84 THR N . 16955 1 1036 . 1 1 85 85 PHE H H 1 8.042 0.020 . 1 . . . . 85 PHE H . 16955 1 1037 . 1 1 85 85 PHE HA H 1 4.302 0.020 . 1 . . . . 85 PHE HA . 16955 1 1038 . 1 1 85 85 PHE HB2 H 1 3.374 0.020 . 2 . . . . 85 PHE HB2 . 16955 1 1039 . 1 1 85 85 PHE HB3 H 1 3.572 0.020 . 2 . . . . 85 PHE HB3 . 16955 1 1040 . 1 1 85 85 PHE HD1 H 1 7.130 0.020 . 1 . . . . 85 PHE HD1 . 16955 1 1041 . 1 1 85 85 PHE HD2 H 1 7.130 0.020 . 1 . . . . 85 PHE HD2 . 16955 1 1042 . 1 1 85 85 PHE C C 13 177.700 0.400 . 1 . . . . 85 PHE C . 16955 1 1043 . 1 1 85 85 PHE CA C 13 58.590 0.400 . 1 . . . . 85 PHE CA . 16955 1 1044 . 1 1 85 85 PHE CB C 13 38.580 0.400 . 1 . . . . 85 PHE CB . 16955 1 1045 . 1 1 85 85 PHE N N 15 125.025 0.400 . 1 . . . . 85 PHE N . 16955 1 1046 . 1 1 86 86 LEU H H 1 8.516 0.020 . 1 . . . . 86 LEU H . 16955 1 1047 . 1 1 86 86 LEU HA H 1 3.777 0.020 . 1 . . . . 86 LEU HA . 16955 1 1048 . 1 1 86 86 LEU HB2 H 1 1.436 0.020 . 2 . . . . 86 LEU HB2 . 16955 1 1049 . 1 1 86 86 LEU HB3 H 1 1.846 0.020 . 2 . . . . 86 LEU HB3 . 16955 1 1050 . 1 1 86 86 LEU HD11 H 1 0.676 0.020 . 1 . . . . 86 LEU HD11 . 16955 1 1051 . 1 1 86 86 LEU HD12 H 1 0.676 0.020 . 1 . . . . 86 LEU HD12 . 16955 1 1052 . 1 1 86 86 LEU HD13 H 1 0.676 0.020 . 1 . . . . 86 LEU HD13 . 16955 1 1053 . 1 1 86 86 LEU HD21 H 1 0.762 0.020 . 1 . . . . 86 LEU HD21 . 16955 1 1054 . 1 1 86 86 LEU HD22 H 1 0.762 0.020 . 1 . . . . 86 LEU HD22 . 16955 1 1055 . 1 1 86 86 LEU HD23 H 1 0.762 0.020 . 1 . . . . 86 LEU HD23 . 16955 1 1056 . 1 1 86 86 LEU HG H 1 1.550 0.020 . 1 . . . . 86 LEU HG . 16955 1 1057 . 1 1 86 86 LEU C C 13 177.900 0.400 . 1 . . . . 86 LEU C . 16955 1 1058 . 1 1 86 86 LEU CA C 13 58.990 0.400 . 1 . . . . 86 LEU CA . 16955 1 1059 . 1 1 86 86 LEU CB C 13 42.010 0.400 . 1 . . . . 86 LEU CB . 16955 1 1060 . 1 1 86 86 LEU CD1 C 13 25.360 0.400 . 1 . . . . 86 LEU CD1 . 16955 1 1061 . 1 1 86 86 LEU CD2 C 13 23.600 0.400 . 1 . . . . 86 LEU CD2 . 16955 1 1062 . 1 1 86 86 LEU CG C 13 27.140 0.400 . 1 . . . . 86 LEU CG . 16955 1 1063 . 1 1 86 86 LEU N N 15 119.476 0.400 . 1 . . . . 86 LEU N . 16955 1 1064 . 1 1 87 87 ALA H H 1 8.207 0.020 . 1 . . . . 87 ALA H . 16955 1 1065 . 1 1 87 87 ALA HA H 1 4.132 0.020 . 1 . . . . 87 ALA HA . 16955 1 1066 . 1 1 87 87 ALA HB1 H 1 1.491 0.020 . 1 . . . . 87 ALA HB1 . 16955 1 1067 . 1 1 87 87 ALA HB2 H 1 1.491 0.020 . 1 . . . . 87 ALA HB2 . 16955 1 1068 . 1 1 87 87 ALA HB3 H 1 1.491 0.020 . 1 . . . . 87 ALA HB3 . 16955 1 1069 . 1 1 87 87 ALA C C 13 179.900 0.400 . 1 . . . . 87 ALA C . 16955 1 1070 . 1 1 87 87 ALA CA C 13 54.580 0.400 . 1 . . . . 87 ALA CA . 16955 1 1071 . 1 1 87 87 ALA CB C 13 18.210 0.400 . 1 . . . . 87 ALA CB . 16955 1 1072 . 1 1 87 87 ALA N N 15 117.838 0.400 . 1 . . . . 87 ALA N . 16955 1 1073 . 1 1 88 88 ALA H H 1 7.588 0.020 . 1 . . . . 88 ALA H . 16955 1 1074 . 1 1 88 88 ALA HA H 1 4.227 0.020 . 1 . . . . 88 ALA HA . 16955 1 1075 . 1 1 88 88 ALA HB1 H 1 1.538 0.020 . 1 . . . . 88 ALA HB1 . 16955 1 1076 . 1 1 88 88 ALA HB2 H 1 1.538 0.020 . 1 . . . . 88 ALA HB2 . 16955 1 1077 . 1 1 88 88 ALA HB3 H 1 1.538 0.020 . 1 . . . . 88 ALA HB3 . 16955 1 1078 . 1 1 88 88 ALA C C 13 178.500 0.400 . 1 . . . . 88 ALA C . 16955 1 1079 . 1 1 88 88 ALA CA C 13 53.810 0.400 . 1 . . . . 88 ALA CA . 16955 1 1080 . 1 1 88 88 ALA CB C 13 18.980 0.400 . 1 . . . . 88 ALA CB . 16955 1 1081 . 1 1 88 88 ALA N N 15 117.605 0.400 . 1 . . . . 88 ALA N . 16955 1 1082 . 1 1 89 89 ALA H H 1 7.777 0.020 . 1 . . . . 89 ALA H . 16955 1 1083 . 1 1 89 89 ALA HA H 1 4.446 0.020 . 1 . . . . 89 ALA HA . 16955 1 1084 . 1 1 89 89 ALA HB1 H 1 1.538 0.020 . 1 . . . . 89 ALA HB1 . 16955 1 1085 . 1 1 89 89 ALA HB2 H 1 1.538 0.020 . 1 . . . . 89 ALA HB2 . 16955 1 1086 . 1 1 89 89 ALA HB3 H 1 1.538 0.020 . 1 . . . . 89 ALA HB3 . 16955 1 1087 . 1 1 89 89 ALA C C 13 178.500 0.400 . 1 . . . . 89 ALA C . 16955 1 1088 . 1 1 89 89 ALA CA C 13 52.990 0.400 . 1 . . . . 89 ALA CA . 16955 1 1089 . 1 1 89 89 ALA CB C 13 22.470 0.400 . 1 . . . . 89 ALA CB . 16955 1 1090 . 1 1 89 89 ALA N N 15 117.837 0.400 . 1 . . . . 89 ALA N . 16955 1 1091 . 1 1 90 90 ASP H H 1 8.351 0.020 . 1 . . . . 90 ASP H . 16955 1 1092 . 1 1 90 90 ASP HA H 1 4.657 0.020 . 1 . . . . 90 ASP HA . 16955 1 1093 . 1 1 90 90 ASP HB2 H 1 2.862 0.020 . 2 . . . . 90 ASP HB2 . 16955 1 1094 . 1 1 90 90 ASP HB3 H 1 2.310 0.020 . 2 . . . . 90 ASP HB3 . 16955 1 1095 . 1 1 90 90 ASP C C 13 176.400 0.400 . 1 . . . . 90 ASP C . 16955 1 1096 . 1 1 90 90 ASP CA C 13 54.090 0.400 . 1 . . . . 90 ASP CA . 16955 1 1097 . 1 1 90 90 ASP CB C 13 39.780 0.400 . 1 . . . . 90 ASP CB . 16955 1 1098 . 1 1 90 90 ASP N N 15 116.121 0.400 . 1 . . . . 90 ASP N . 16955 1 1099 . 1 1 91 91 HIS H H 1 8.507 0.020 . 1 . . . . 91 HIS H . 16955 1 1100 . 1 1 91 91 HIS HA H 1 4.650 0.020 . 1 . . . . 91 HIS HA . 16955 1 1101 . 1 1 91 91 HIS HB2 H 1 3.325 0.020 . 2 . . . . 91 HIS HB2 . 16955 1 1102 . 1 1 91 91 HIS HB3 H 1 3.377 0.020 . 2 . . . . 91 HIS HB3 . 16955 1 1103 . 1 1 91 91 HIS HD2 H 1 7.255 0.020 . 1 . . . . 91 HIS HD2 . 16955 1 1104 . 1 1 91 91 HIS C C 13 176.200 0.400 . 1 . . . . 91 HIS C . 16955 1 1105 . 1 1 91 91 HIS CA C 13 56.870 0.400 . 1 . . . . 91 HIS CA . 16955 1 1106 . 1 1 91 91 HIS CB C 13 30.110 0.400 . 1 . . . . 91 HIS CB . 16955 1 1107 . 1 1 91 91 HIS N N 15 126.351 0.400 . 1 . . . . 91 HIS N . 16955 1 1108 . 1 1 92 92 ASP H H 1 8.590 0.020 . 1 . . . . 92 ASP H . 16955 1 1109 . 1 1 92 92 ASP HA H 1 4.630 0.020 . 1 . . . . 92 ASP HA . 16955 1 1110 . 1 1 92 92 ASP HB2 H 1 3.081 0.020 . 2 . . . . 92 ASP HB2 . 16955 1 1111 . 1 1 92 92 ASP HB3 H 1 2.630 0.020 . 2 . . . . 92 ASP HB3 . 16955 1 1112 . 1 1 92 92 ASP C C 13 178.100 0.400 . 1 . . . . 92 ASP C . 16955 1 1113 . 1 1 92 92 ASP CA C 13 53.400 0.400 . 1 . . . . 92 ASP CA . 16955 1 1114 . 1 1 92 92 ASP CB C 13 39.780 0.400 . 1 . . . . 92 ASP CB . 16955 1 1115 . 1 1 92 92 ASP N N 15 116.226 0.400 . 1 . . . . 92 ASP N . 16955 1 1116 . 1 1 93 93 GLY H H 1 7.639 0.020 . 1 . . . . 93 GLY H . 16955 1 1117 . 1 1 93 93 GLY HA2 H 1 3.818 0.020 . 2 . . . . 93 GLY HA2 . 16955 1 1118 . 1 1 93 93 GLY HA3 H 1 3.913 0.020 . 2 . . . . 93 GLY HA3 . 16955 1 1119 . 1 1 93 93 GLY C C 13 175.001 0.400 . 1 . . . . 93 GLY C . 16955 1 1120 . 1 1 93 93 GLY CA C 13 47.450 0.400 . 1 . . . . 93 GLY CA . 16955 1 1121 . 1 1 93 93 GLY N N 15 108.464 0.400 . 1 . . . . 93 GLY N . 16955 1 1122 . 1 1 94 94 ASP H H 1 8.341 0.020 . 1 . . . . 94 ASP H . 16955 1 1123 . 1 1 94 94 ASP HA H 1 4.466 0.020 . 1 . . . . 94 ASP HA . 16955 1 1124 . 1 1 94 94 ASP HB2 H 1 2.842 0.020 . 2 . . . . 94 ASP HB2 . 16955 1 1125 . 1 1 94 94 ASP HB3 H 1 2.430 0.020 . 2 . . . . 94 ASP HB3 . 16955 1 1126 . 1 1 94 94 ASP C C 13 177.600 0.400 . 1 . . . . 94 ASP C . 16955 1 1127 . 1 1 94 94 ASP CA C 13 53.400 0.400 . 1 . . . . 94 ASP CA . 16955 1 1128 . 1 1 94 94 ASP CB C 13 40.210 0.400 . 1 . . . . 94 ASP CB . 16955 1 1129 . 1 1 94 94 ASP N N 15 120.318 0.400 . 1 . . . . 94 ASP N . 16955 1 1130 . 1 1 95 95 GLY H H 1 10.117 0.020 . 1 . . . . 95 GLY H . 16955 1 1131 . 1 1 95 95 GLY HA2 H 1 3.456 0.020 . 2 . . . . 95 GLY HA2 . 16955 1 1132 . 1 1 95 95 GLY HA3 H 1 4.010 0.020 . 2 . . . . 95 GLY HA3 . 16955 1 1133 . 1 1 95 95 GLY C C 13 172.600 0.400 . 1 . . . . 95 GLY C . 16955 1 1134 . 1 1 95 95 GLY CA C 13 45.980 0.400 . 1 . . . . 95 GLY CA . 16955 1 1135 . 1 1 95 95 GLY N N 15 112.269 0.400 . 1 . . . . 95 GLY N . 16955 1 1136 . 1 1 96 96 LYS H H 1 7.920 0.020 . 1 . . . . 96 LYS H . 16955 1 1137 . 1 1 96 96 LYS HA H 1 4.739 0.020 . 1 . . . . 96 LYS HA . 16955 1 1138 . 1 1 96 96 LYS HB2 H 1 1.488 0.020 . 2 . . . . 96 LYS HB2 . 16955 1 1139 . 1 1 96 96 LYS HB3 H 1 1.655 0.020 . 2 . . . . 96 LYS HB3 . 16955 1 1140 . 1 1 96 96 LYS HD2 H 1 1.144 0.020 . 2 . . . . 96 LYS HD2 . 16955 1 1141 . 1 1 96 96 LYS HD3 H 1 0.796 0.020 . 2 . . . . 96 LYS HD3 . 16955 1 1142 . 1 1 96 96 LYS HE2 H 1 2.003 0.020 . 2 . . . . 96 LYS HE2 . 16955 1 1143 . 1 1 96 96 LYS HE3 H 1 2.003 0.020 . 2 . . . . 96 LYS HE3 . 16955 1 1144 . 1 1 96 96 LYS HG2 H 1 0.980 0.020 . 2 . . . . 96 LYS HG2 . 16955 1 1145 . 1 1 96 96 LYS HG3 H 1 0.810 0.020 . 2 . . . . 96 LYS HG3 . 16955 1 1146 . 1 1 96 96 LYS C C 13 174.800 0.400 . 1 . . . . 96 LYS C . 16955 1 1147 . 1 1 96 96 LYS CA C 13 53.980 0.400 . 1 . . . . 96 LYS CA . 16955 1 1148 . 1 1 96 96 LYS CB C 13 36.280 0.400 . 1 . . . . 96 LYS CB . 16955 1 1149 . 1 1 96 96 LYS CD C 13 29.540 0.400 . 1 . . . . 96 LYS CD . 16955 1 1150 . 1 1 96 96 LYS CE C 13 41.520 0.400 . 1 . . . . 96 LYS CE . 16955 1 1151 . 1 1 96 96 LYS CG C 13 23.080 0.400 . 1 . . . . 96 LYS CG . 16955 1 1152 . 1 1 96 96 LYS N N 15 116.222 0.400 . 1 . . . . 96 LYS N . 16955 1 1153 . 1 1 97 97 ILE H H 1 8.848 0.020 . 1 . . . . 97 ILE H . 16955 1 1154 . 1 1 97 97 ILE HA H 1 4.985 0.020 . 1 . . . . 97 ILE HA . 16955 1 1155 . 1 1 97 97 ILE HB H 1 2.071 0.020 . 1 . . . . 97 ILE HB . 16955 1 1156 . 1 1 97 97 ILE HD11 H 1 0.655 0.020 . 1 . . . . 97 ILE HD11 . 16955 1 1157 . 1 1 97 97 ILE HD12 H 1 0.655 0.020 . 1 . . . . 97 ILE HD12 . 16955 1 1158 . 1 1 97 97 ILE HD13 H 1 0.655 0.020 . 1 . . . . 97 ILE HD13 . 16955 1 1159 . 1 1 97 97 ILE HG12 H 1 0.749 0.020 . 2 . . . . 97 ILE HG12 . 16955 1 1160 . 1 1 97 97 ILE HG13 H 1 1.547 0.020 . 2 . . . . 97 ILE HG13 . 16955 1 1161 . 1 1 97 97 ILE HG21 H 1 1.238 0.020 . 1 . . . . 97 ILE HG21 . 16955 1 1162 . 1 1 97 97 ILE HG22 H 1 1.238 0.020 . 1 . . . . 97 ILE HG22 . 16955 1 1163 . 1 1 97 97 ILE HG23 H 1 1.238 0.020 . 1 . . . . 97 ILE HG23 . 16955 1 1164 . 1 1 97 97 ILE C C 13 176.400 0.400 . 1 . . . . 97 ILE C . 16955 1 1165 . 1 1 97 97 ILE CA C 13 60.640 0.400 . 1 . . . . 97 ILE CA . 16955 1 1166 . 1 1 97 97 ILE CB C 13 39.780 0.400 . 1 . . . . 97 ILE CB . 16955 1 1167 . 1 1 97 97 ILE CD1 C 13 14.920 0.400 . 1 . . . . 97 ILE CD1 . 16955 1 1168 . 1 1 97 97 ILE CG1 C 13 26.880 0.400 . 1 . . . . 97 ILE CG1 . 16955 1 1169 . 1 1 97 97 ILE CG2 C 13 17.970 0.400 . 1 . . . . 97 ILE CG2 . 16955 1 1170 . 1 1 97 97 ILE N N 15 122.534 0.400 . 1 . . . . 97 ILE N . 16955 1 1171 . 1 1 98 98 GLY H H 1 9.857 0.020 . 1 . . . . 98 GLY H . 16955 1 1172 . 1 1 98 98 GLY HA2 H 1 4.766 0.020 . 2 . . . . 98 GLY HA2 . 16955 1 1173 . 1 1 98 98 GLY HA3 H 1 4.139 0.020 . 2 . . . . 98 GLY HA3 . 16955 1 1174 . 1 1 98 98 GLY C C 13 174.300 0.400 . 1 . . . . 98 GLY C . 16955 1 1175 . 1 1 98 98 GLY CA C 13 44.310 0.400 . 1 . . . . 98 GLY CA . 16955 1 1176 . 1 1 98 98 GLY N N 15 116.976 0.400 . 1 . . . . 98 GLY N . 16955 1 1177 . 1 1 99 99 ALA H H 1 8.545 0.020 . 1 . . . . 99 ALA H . 16955 1 1178 . 1 1 99 99 ALA HA H 1 2.630 0.020 . 1 . . . . 99 ALA HA . 16955 1 1179 . 1 1 99 99 ALA HB1 H 1 0.651 0.020 . 1 . . . . 99 ALA HB1 . 16955 1 1180 . 1 1 99 99 ALA HB2 H 1 0.651 0.020 . 1 . . . . 99 ALA HB2 . 16955 1 1181 . 1 1 99 99 ALA HB3 H 1 0.651 0.020 . 1 . . . . 99 ALA HB3 . 16955 1 1182 . 1 1 99 99 ALA C C 13 180.500 0.400 . 1 . . . . 99 ALA C . 16955 1 1183 . 1 1 99 99 ALA CA C 13 56.000 0.400 . 1 . . . . 99 ALA CA . 16955 1 1184 . 1 1 99 99 ALA CB C 13 17.830 0.400 . 1 . . . . 99 ALA CB . 16955 1 1185 . 1 1 99 99 ALA N N 15 123.478 0.400 . 1 . . . . 99 ALA N . 16955 1 1186 . 1 1 100 100 GLU H H 1 8.634 0.020 . 1 . . . . 100 GLU H . 16955 1 1187 . 1 1 100 100 GLU HA H 1 4.002 0.020 . 1 . . . . 100 GLU HA . 16955 1 1188 . 1 1 100 100 GLU HB2 H 1 2.028 0.020 . 2 . . . . 100 GLU HB2 . 16955 1 1189 . 1 1 100 100 GLU HB3 H 1 2.028 0.020 . 2 . . . . 100 GLU HB3 . 16955 1 1190 . 1 1 100 100 GLU HG2 H 1 2.211 0.020 . 2 . . . . 100 GLU HG2 . 16955 1 1191 . 1 1 100 100 GLU HG3 H 1 2.370 0.020 . 2 . . . . 100 GLU HG3 . 16955 1 1192 . 1 1 100 100 GLU C C 13 179.200 0.400 . 1 . . . . 100 GLU C . 16955 1 1193 . 1 1 100 100 GLU CA C 13 59.860 0.400 . 1 . . . . 100 GLU CA . 16955 1 1194 . 1 1 100 100 GLU CB C 13 27.910 0.400 . 1 . . . . 100 GLU CB . 16955 1 1195 . 1 1 100 100 GLU CG C 13 36.850 0.400 . 1 . . . . 100 GLU CG . 16955 1 1196 . 1 1 100 100 GLU N N 15 117.812 0.400 . 1 . . . . 100 GLU N . 16955 1 1197 . 1 1 101 101 GLU H H 1 7.674 0.020 . 1 . . . . 101 GLU H . 16955 1 1198 . 1 1 101 101 GLU HA H 1 4.009 0.020 . 1 . . . . 101 GLU HA . 16955 1 1199 . 1 1 101 101 GLU HB2 H 1 2.023 0.020 . 2 . . . . 101 GLU HB2 . 16955 1 1200 . 1 1 101 101 GLU HB3 H 1 2.023 0.020 . 2 . . . . 101 GLU HB3 . 16955 1 1201 . 1 1 101 101 GLU HG2 H 1 2.220 0.020 . 2 . . . . 101 GLU HG2 . 16955 1 1202 . 1 1 101 101 GLU HG3 H 1 2.370 0.020 . 2 . . . . 101 GLU HG3 . 16955 1 1203 . 1 1 101 101 GLU C C 13 180.000 0.400 . 1 . . . . 101 GLU C . 16955 1 1204 . 1 1 101 101 GLU CA C 13 59.870 0.400 . 1 . . . . 101 GLU CA . 16955 1 1205 . 1 1 101 101 GLU CB C 13 27.980 0.400 . 1 . . . . 101 GLU CB . 16955 1 1206 . 1 1 101 101 GLU CG C 13 36.830 0.400 . 1 . . . . 101 GLU CG . 16955 1 1207 . 1 1 101 101 GLU N N 15 120.408 0.400 . 1 . . . . 101 GLU N . 16955 1 1208 . 1 1 102 102 PHE H H 1 8.710 0.020 . 1 . . . . 102 PHE H . 16955 1 1209 . 1 1 102 102 PHE HA H 1 4.002 0.020 . 1 . . . . 102 PHE HA . 16955 1 1210 . 1 1 102 102 PHE HB2 H 1 3.231 0.020 . 2 . . . . 102 PHE HB2 . 16955 1 1211 . 1 1 102 102 PHE HB3 H 1 3.231 0.020 . 2 . . . . 102 PHE HB3 . 16955 1 1212 . 1 1 102 102 PHE HD1 H 1 7.230 0.020 . 1 . . . . 102 PHE HD1 . 16955 1 1213 . 1 1 102 102 PHE HD2 H 1 7.230 0.020 . 1 . . . . 102 PHE HD2 . 16955 1 1214 . 1 1 102 102 PHE C C 13 175.300 0.400 . 1 . . . . 102 PHE C . 16955 1 1215 . 1 1 102 102 PHE CA C 13 62.060 0.400 . 1 . . . . 102 PHE CA . 16955 1 1216 . 1 1 102 102 PHE CB C 13 39.830 0.400 . 1 . . . . 102 PHE CB . 16955 1 1217 . 1 1 102 102 PHE N N 15 120.204 0.400 . 1 . . . . 102 PHE N . 16955 1 1218 . 1 1 103 103 GLN H H 1 7.969 0.020 . 1 . . . . 103 GLN H . 16955 1 1219 . 1 1 103 103 GLN HA H 1 3.415 0.020 . 1 . . . . 103 GLN HA . 16955 1 1220 . 1 1 103 103 GLN HB2 H 1 2.139 0.020 . 2 . . . . 103 GLN HB2 . 16955 1 1221 . 1 1 103 103 GLN HB3 H 1 2.139 0.020 . 2 . . . . 103 GLN HB3 . 16955 1 1222 . 1 1 103 103 GLN HE21 H 1 6.950 0.020 . 2 . . . . 103 GLN HE21 . 16955 1 1223 . 1 1 103 103 GLN HE22 H 1 7.346 0.020 . 2 . . . . 103 GLN HE22 . 16955 1 1224 . 1 1 103 103 GLN HG2 H 1 2.151 0.020 . 2 . . . . 103 GLN HG2 . 16955 1 1225 . 1 1 103 103 GLN HG3 H 1 2.151 0.020 . 2 . . . . 103 GLN HG3 . 16955 1 1226 . 1 1 103 103 GLN C C 13 177.001 0.400 . 1 . . . . 103 GLN C . 16955 1 1227 . 1 1 103 103 GLN CA C 13 59.820 0.400 . 1 . . . . 103 GLN CA . 16955 1 1228 . 1 1 103 103 GLN CB C 13 28.090 0.400 . 1 . . . . 103 GLN CB . 16955 1 1229 . 1 1 103 103 GLN CG C 13 33.340 0.400 . 1 . . . . 103 GLN CG . 16955 1 1230 . 1 1 103 103 GLN N N 15 117.609 0.400 . 1 . . . . 103 GLN N . 16955 1 1231 . 1 1 103 103 GLN NE2 N 15 111.300 0.400 . 1 . . . . 103 GLN NE2 . 16955 1 1232 . 1 1 104 104 GLU H H 1 8.087 0.020 . 1 . . . . 104 GLU H . 16955 1 1233 . 1 1 104 104 GLU HA H 1 3.941 0.020 . 1 . . . . 104 GLU HA . 16955 1 1234 . 1 1 104 104 GLU HB2 H 1 2.009 0.020 . 2 . . . . 104 GLU HB2 . 16955 1 1235 . 1 1 104 104 GLU HB3 H 1 2.009 0.020 . 2 . . . . 104 GLU HB3 . 16955 1 1236 . 1 1 104 104 GLU HG2 H 1 2.220 0.020 . 2 . . . . 104 GLU HG2 . 16955 1 1237 . 1 1 104 104 GLU HG3 H 1 2.360 0.020 . 2 . . . . 104 GLU HG3 . 16955 1 1238 . 1 1 104 104 GLU C C 13 178.900 0.400 . 1 . . . . 104 GLU C . 16955 1 1239 . 1 1 104 104 GLU CA C 13 58.940 0.400 . 1 . . . . 104 GLU CA . 16955 1 1240 . 1 1 104 104 GLU CB C 13 29.460 0.400 . 1 . . . . 104 GLU CB . 16955 1 1241 . 1 1 104 104 GLU CG C 13 36.260 0.400 . 1 . . . . 104 GLU CG . 16955 1 1242 . 1 1 104 104 GLU N N 15 116.692 0.400 . 1 . . . . 104 GLU N . 16955 1 1243 . 1 1 105 105 MET H H 1 7.832 0.020 . 1 . . . . 105 MET H . 16955 1 1244 . 1 1 105 105 MET HA H 1 4.166 0.020 . 1 . . . . 105 MET HA . 16955 1 1245 . 1 1 105 105 MET HB2 H 1 2.255 0.020 . 2 . . . . 105 MET HB2 . 16955 1 1246 . 1 1 105 105 MET HB3 H 1 2.125 0.020 . 2 . . . . 105 MET HB3 . 16955 1 1247 . 1 1 105 105 MET HE1 H 1 2.013 0.020 . 1 . . . . 105 MET HE1 . 16955 1 1248 . 1 1 105 105 MET HE2 H 1 2.013 0.020 . 1 . . . . 105 MET HE2 . 16955 1 1249 . 1 1 105 105 MET HE3 H 1 2.013 0.020 . 1 . . . . 105 MET HE3 . 16955 1 1250 . 1 1 105 105 MET HG2 H 1 2.632 0.020 . 2 . . . . 105 MET HG2 . 16955 1 1251 . 1 1 105 105 MET HG3 H 1 2.632 0.020 . 2 . . . . 105 MET HG3 . 16955 1 1252 . 1 1 105 105 MET C C 13 177.900 0.400 . 1 . . . . 105 MET C . 16955 1 1253 . 1 1 105 105 MET CA C 13 58.210 0.400 . 1 . . . . 105 MET CA . 16955 1 1254 . 1 1 105 105 MET CB C 13 31.860 0.400 . 1 . . . . 105 MET CB . 16955 1 1255 . 1 1 105 105 MET CE C 13 18.700 0.400 . 1 . . . . 105 MET CE . 16955 1 1256 . 1 1 105 105 MET CG C 13 32.720 0.400 . 1 . . . . 105 MET CG . 16955 1 1257 . 1 1 105 105 MET N N 15 118.344 0.400 . 1 . . . . 105 MET N . 16955 1 1258 . 1 1 106 106 VAL H H 1 7.625 0.020 . 1 . . . . 106 VAL H . 16955 1 1259 . 1 1 106 106 VAL HA H 1 2.965 0.020 . 1 . . . . 106 VAL HA . 16955 1 1260 . 1 1 106 106 VAL HB H 1 1.347 0.020 . 1 . . . . 106 VAL HB . 16955 1 1261 . 1 1 106 106 VAL HG11 H 1 0.291 0.020 . 1 . . . . 106 VAL HG11 . 16955 1 1262 . 1 1 106 106 VAL HG12 H 1 0.291 0.020 . 1 . . . . 106 VAL HG12 . 16955 1 1263 . 1 1 106 106 VAL HG13 H 1 0.291 0.020 . 1 . . . . 106 VAL HG13 . 16955 1 1264 . 1 1 106 106 VAL HG21 H 1 0.688 0.020 . 1 . . . . 106 VAL HG21 . 16955 1 1265 . 1 1 106 106 VAL HG22 H 1 0.688 0.020 . 1 . . . . 106 VAL HG22 . 16955 1 1266 . 1 1 106 106 VAL HG23 H 1 0.688 0.020 . 1 . . . . 106 VAL HG23 . 16955 1 1267 . 1 1 106 106 VAL C C 13 177.200 0.400 . 1 . . . . 106 VAL C . 16955 1 1268 . 1 1 106 106 VAL CA C 13 64.920 0.400 . 1 . . . . 106 VAL CA . 16955 1 1269 . 1 1 106 106 VAL CB C 13 31.150 0.400 . 1 . . . . 106 VAL CB . 16955 1 1270 . 1 1 106 106 VAL CG1 C 13 23.820 0.400 . 1 . . . . 106 VAL CG1 . 16955 1 1271 . 1 1 106 106 VAL CG2 C 13 21.400 0.400 . 1 . . . . 106 VAL CG2 . 16955 1 1272 . 1 1 106 106 VAL N N 15 118.321 0.400 . 1 . . . . 106 VAL N . 16955 1 1273 . 1 1 107 107 GLN H H 1 7.590 0.020 . 1 . . . . 107 GLN H . 16955 1 1274 . 1 1 107 107 GLN HA H 1 4.268 0.020 . 1 . . . . 107 GLN HA . 16955 1 1275 . 1 1 107 107 GLN HB2 H 1 2.098 0.020 . 2 . . . . 107 GLN HB2 . 16955 1 1276 . 1 1 107 107 GLN HB3 H 1 1.948 0.020 . 2 . . . . 107 GLN HB3 . 16955 1 1277 . 1 1 107 107 GLN HE21 H 1 7.216 0.020 . 2 . . . . 107 GLN HE21 . 16955 1 1278 . 1 1 107 107 GLN HE22 H 1 6.659 0.020 . 2 . . . . 107 GLN HE22 . 16955 1 1279 . 1 1 107 107 GLN HG2 H 1 2.228 0.020 . 2 . . . . 107 GLN HG2 . 16955 1 1280 . 1 1 107 107 GLN HG3 H 1 2.398 0.020 . 2 . . . . 107 GLN HG3 . 16955 1 1281 . 1 1 107 107 GLN C C 13 175.900 0.400 . 1 . . . . 107 GLN C . 16955 1 1282 . 1 1 107 107 GLN CA C 13 56.730 0.400 . 1 . . . . 107 GLN CA . 16955 1 1283 . 1 1 107 107 GLN CB C 13 28.970 0.400 . 1 . . . . 107 GLN CB . 16955 1 1284 . 1 1 107 107 GLN CG C 13 34.800 0.400 . 1 . . . . 107 GLN CG . 16955 1 1285 . 1 1 107 107 GLN N N 15 114.806 0.400 . 1 . . . . 107 GLN N . 16955 1 1286 . 1 1 107 107 GLN NE2 N 15 110.200 0.400 . 1 . . . . 107 GLN NE2 . 16955 1 1287 . 1 1 108 108 SER H H 1 7.468 0.020 . 1 . . . . 108 SER H . 16955 1 1288 . 1 1 108 108 SER HA H 1 4.233 0.020 . 1 . . . . 108 SER HA . 16955 1 1289 . 1 1 108 108 SER HB2 H 1 3.960 0.020 . 2 . . . . 108 SER HB2 . 16955 1 1290 . 1 1 108 108 SER HB3 H 1 3.960 0.020 . 2 . . . . 108 SER HB3 . 16955 1 1291 . 1 1 108 108 SER C C 13 179.200 0.400 . 1 . . . . 108 SER C . 16955 1 1292 . 1 1 108 108 SER CA C 13 60.880 0.400 . 1 . . . . 108 SER CA . 16955 1 1293 . 1 1 108 108 SER CB C 13 64.980 0.400 . 1 . . . . 108 SER CB . 16955 1 1294 . 1 1 108 108 SER N N 15 120.561 0.400 . 1 . . . . 108 SER N . 16955 1 stop_ save_