data_18319 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18319 _Entry.Title ; 1H, 13C and 15N full assignment of transmembrane domain TM12 from human Y4 receptor ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2012-03-09 _Entry.Accession_date 2012-03-09 _Entry.Last_release_date 2012-09-14 _Entry.Original_release_date 2012-09-14 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Xuan Shao . . . 18319 2 Chao Zou . . . 18319 3 Fred Naider . . . 18319 4 Oliver Zerbe . . . 18319 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18319 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 479 18319 '15N chemical shifts' 123 18319 '1H chemical shifts' 837 18319 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2012-09-14 2012-03-09 original author . 18319 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 18319 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 22947943 _Citation.Full_citation . _Citation.Title 'Comparison of fragments comprising the first two helices of the human y4 and the yeast ste2p g-protein-coupled receptors.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biophys. J.' _Citation.Journal_name_full 'Biophysical journal' _Citation.Journal_volume 103 _Citation.Journal_issue 4 _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 817 _Citation.Page_last 826 _Citation.Year 2012 _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 Xuan Shao . . . 18319 1 2 Chao Zou . . . 18319 1 3 Fred Naider . . . 18319 1 4 Oliver Zerbe . . . 18319 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18319 _Assembly.ID 1 _Assembly.Name Y4_TM1-TM2 _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 Y4_TM1-TM2 1 $Y4_TM1-TM2 A . yes native no no . . . 18319 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Y4_TM1-TM2 _Entity.Sf_category entity _Entity.Sf_framecode Y4_TM1-TM2 _Entity.Entry_ID 18319 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Y4_TM1-TM2 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MNTSHLLALLLPKSPQGENR SKPLGTPYNFSEHCQDSVDV MVFIVTSYSIETVVGVLGNL CLMCVTVRQKEKANVTNLLI ANLAFSDFLMCLLCQPLTAV YTIMDYWIFGETLCKHHHHH H ; _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 121 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 15921 . N-TM1-TM2 . . . . . 100.00 121 100.00 100.00 1.87e-83 . . . . 18319 1 2 no DBJ BAG74162 . "pancreatic polypeptide receptor 1 [synthetic construct]" . . . . . 95.04 375 100.00 100.00 8.58e-75 . . . . 18319 1 3 no EMBL CAA91433 . "pancreatic polypeptide receptor PP1 [Homo sapiens]" . . . . . 95.04 375 100.00 100.00 8.58e-75 . . . . 18319 1 4 no EMBL CAG46748 . "PPYR1 [Homo sapiens]" . . . . . 95.04 375 100.00 100.00 9.36e-75 . . . . 18319 1 5 no EMBL CAI13318 . "pancreatic polypeptide receptor 1 [Homo sapiens]" . . . . . 95.04 375 100.00 100.00 8.58e-75 . . . . 18319 1 6 no GB AAB07759 . "pancreatic polypeptide receptor [Homo sapiens]" . . . . . 95.04 375 99.13 100.00 2.52e-74 . . . . 18319 1 7 no GB AAC50280 . "neuropeptide Y4 receptor protein [Homo sapiens]" . . . . . 95.04 375 100.00 100.00 8.58e-75 . . . . 18319 1 8 no GB AAH96238 . "Pancreatic polypeptide receptor 1 [Homo sapiens]" . . . . . 95.04 375 99.13 100.00 2.52e-74 . . . . 18319 1 9 no GB AAH99637 . "Pancreatic polypeptide receptor 1 [Homo sapiens]" . . . . . 95.04 375 100.00 100.00 7.62e-75 . . . . 18319 1 10 no GB AAP23199 . "pancreatic polypeptide receptor 1 [Homo sapiens]" . . . . . 95.04 375 100.00 100.00 8.58e-75 . . . . 18319 1 11 no REF NP_001265723 . "neuropeptide Y receptor type 4 [Homo sapiens]" . . . . . 95.04 375 100.00 100.00 9.36e-75 . . . . 18319 1 12 no REF NP_001265724 . "neuropeptide Y receptor type 4-like [Homo sapiens]" . . . . . 95.04 375 100.00 100.00 8.58e-75 . . . . 18319 1 13 no REF NP_005963 . "neuropeptide Y receptor type 4 [Homo sapiens]" . . . . . 95.04 375 100.00 100.00 9.36e-75 . . . . 18319 1 14 no REF XP_003804406 . "PREDICTED: neuropeptide Y receptor type 4 [Pan paniscus]" . . . . . 95.04 375 99.13 100.00 2.52e-74 . . . . 18319 1 15 no REF XP_003804407 . "PREDICTED: neuropeptide Y receptor type 4 [Pan paniscus]" . . . . . 95.04 375 99.13 100.00 2.52e-74 . . . . 18319 1 16 no SP P50391 . "RecName: Full=Neuropeptide Y receptor type 4; Short=NPY4-R; AltName: Full=Pancreatic polypeptide receptor 1; Short=PP1" . . . . . 95.04 375 100.00 100.00 8.58e-75 . . . . 18319 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 1 MET . 18319 1 2 2 ASN . 18319 1 3 3 THR . 18319 1 4 4 SER . 18319 1 5 5 HIS . 18319 1 6 6 LEU . 18319 1 7 7 LEU . 18319 1 8 8 ALA . 18319 1 9 9 LEU . 18319 1 10 10 LEU . 18319 1 11 11 LEU . 18319 1 12 12 PRO . 18319 1 13 13 LYS . 18319 1 14 14 SER . 18319 1 15 15 PRO . 18319 1 16 16 GLN . 18319 1 17 17 GLY . 18319 1 18 18 GLU . 18319 1 19 19 ASN . 18319 1 20 20 ARG . 18319 1 21 21 SER . 18319 1 22 22 LYS . 18319 1 23 23 PRO . 18319 1 24 24 LEU . 18319 1 25 25 GLY . 18319 1 26 26 THR . 18319 1 27 27 PRO . 18319 1 28 28 TYR . 18319 1 29 29 ASN . 18319 1 30 30 PHE . 18319 1 31 31 SER . 18319 1 32 32 GLU . 18319 1 33 33 HIS . 18319 1 34 34 CYS . 18319 1 35 35 GLN . 18319 1 36 36 ASP . 18319 1 37 37 SER . 18319 1 38 38 VAL . 18319 1 39 39 ASP . 18319 1 40 40 VAL . 18319 1 41 41 MET . 18319 1 42 42 VAL . 18319 1 43 43 PHE . 18319 1 44 44 ILE . 18319 1 45 45 VAL . 18319 1 46 46 THR . 18319 1 47 47 SER . 18319 1 48 48 TYR . 18319 1 49 49 SER . 18319 1 50 50 ILE . 18319 1 51 51 GLU . 18319 1 52 52 THR . 18319 1 53 53 VAL . 18319 1 54 54 VAL . 18319 1 55 55 GLY . 18319 1 56 56 VAL . 18319 1 57 57 LEU . 18319 1 58 58 GLY . 18319 1 59 59 ASN . 18319 1 60 60 LEU . 18319 1 61 61 CYS . 18319 1 62 62 LEU . 18319 1 63 63 MET . 18319 1 64 64 CYS . 18319 1 65 65 VAL . 18319 1 66 66 THR . 18319 1 67 67 VAL . 18319 1 68 68 ARG . 18319 1 69 69 GLN . 18319 1 70 70 LYS . 18319 1 71 71 GLU . 18319 1 72 72 LYS . 18319 1 73 73 ALA . 18319 1 74 74 ASN . 18319 1 75 75 VAL . 18319 1 76 76 THR . 18319 1 77 77 ASN . 18319 1 78 78 LEU . 18319 1 79 79 LEU . 18319 1 80 80 ILE . 18319 1 81 81 ALA . 18319 1 82 82 ASN . 18319 1 83 83 LEU . 18319 1 84 84 ALA . 18319 1 85 85 PHE . 18319 1 86 86 SER . 18319 1 87 87 ASP . 18319 1 88 88 PHE . 18319 1 89 89 LEU . 18319 1 90 90 MET . 18319 1 91 91 CYS . 18319 1 92 92 LEU . 18319 1 93 93 LEU . 18319 1 94 94 CYS . 18319 1 95 95 GLN . 18319 1 96 96 PRO . 18319 1 97 97 LEU . 18319 1 98 98 THR . 18319 1 99 99 ALA . 18319 1 100 100 VAL . 18319 1 101 101 TYR . 18319 1 102 102 THR . 18319 1 103 103 ILE . 18319 1 104 104 MET . 18319 1 105 105 ASP . 18319 1 106 106 TYR . 18319 1 107 107 TRP . 18319 1 108 108 ILE . 18319 1 109 109 PHE . 18319 1 110 110 GLY . 18319 1 111 111 GLU . 18319 1 112 112 THR . 18319 1 113 113 LEU . 18319 1 114 114 CYS . 18319 1 115 115 LYS . 18319 1 116 116 HIS . 18319 1 117 117 HIS . 18319 1 118 118 HIS . 18319 1 119 119 HIS . 18319 1 120 120 HIS . 18319 1 121 121 HIS . 18319 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 . MET 1 1 18319 1 . ASN 2 2 18319 1 . THR 3 3 18319 1 . SER 4 4 18319 1 . HIS 5 5 18319 1 . LEU 6 6 18319 1 . LEU 7 7 18319 1 . ALA 8 8 18319 1 . LEU 9 9 18319 1 . LEU 10 10 18319 1 . LEU 11 11 18319 1 . PRO 12 12 18319 1 . LYS 13 13 18319 1 . SER 14 14 18319 1 . PRO 15 15 18319 1 . GLN 16 16 18319 1 . GLY 17 17 18319 1 . GLU 18 18 18319 1 . ASN 19 19 18319 1 . ARG 20 20 18319 1 . SER 21 21 18319 1 . LYS 22 22 18319 1 . PRO 23 23 18319 1 . LEU 24 24 18319 1 . GLY 25 25 18319 1 . THR 26 26 18319 1 . PRO 27 27 18319 1 . TYR 28 28 18319 1 . ASN 29 29 18319 1 . PHE 30 30 18319 1 . SER 31 31 18319 1 . GLU 32 32 18319 1 . HIS 33 33 18319 1 . CYS 34 34 18319 1 . GLN 35 35 18319 1 . ASP 36 36 18319 1 . SER 37 37 18319 1 . VAL 38 38 18319 1 . ASP 39 39 18319 1 . VAL 40 40 18319 1 . MET 41 41 18319 1 . VAL 42 42 18319 1 . PHE 43 43 18319 1 . ILE 44 44 18319 1 . VAL 45 45 18319 1 . THR 46 46 18319 1 . SER 47 47 18319 1 . TYR 48 48 18319 1 . SER 49 49 18319 1 . ILE 50 50 18319 1 . GLU 51 51 18319 1 . THR 52 52 18319 1 . VAL 53 53 18319 1 . VAL 54 54 18319 1 . GLY 55 55 18319 1 . VAL 56 56 18319 1 . LEU 57 57 18319 1 . GLY 58 58 18319 1 . ASN 59 59 18319 1 . LEU 60 60 18319 1 . CYS 61 61 18319 1 . LEU 62 62 18319 1 . MET 63 63 18319 1 . CYS 64 64 18319 1 . VAL 65 65 18319 1 . THR 66 66 18319 1 . VAL 67 67 18319 1 . ARG 68 68 18319 1 . GLN 69 69 18319 1 . LYS 70 70 18319 1 . GLU 71 71 18319 1 . LYS 72 72 18319 1 . ALA 73 73 18319 1 . ASN 74 74 18319 1 . VAL 75 75 18319 1 . THR 76 76 18319 1 . ASN 77 77 18319 1 . LEU 78 78 18319 1 . LEU 79 79 18319 1 . ILE 80 80 18319 1 . ALA 81 81 18319 1 . ASN 82 82 18319 1 . LEU 83 83 18319 1 . ALA 84 84 18319 1 . PHE 85 85 18319 1 . SER 86 86 18319 1 . ASP 87 87 18319 1 . PHE 88 88 18319 1 . LEU 89 89 18319 1 . MET 90 90 18319 1 . CYS 91 91 18319 1 . LEU 92 92 18319 1 . LEU 93 93 18319 1 . CYS 94 94 18319 1 . GLN 95 95 18319 1 . PRO 96 96 18319 1 . LEU 97 97 18319 1 . THR 98 98 18319 1 . ALA 99 99 18319 1 . VAL 100 100 18319 1 . TYR 101 101 18319 1 . THR 102 102 18319 1 . ILE 103 103 18319 1 . MET 104 104 18319 1 . ASP 105 105 18319 1 . TYR 106 106 18319 1 . TRP 107 107 18319 1 . ILE 108 108 18319 1 . PHE 109 109 18319 1 . GLY 110 110 18319 1 . GLU 111 111 18319 1 . THR 112 112 18319 1 . LEU 113 113 18319 1 . CYS 114 114 18319 1 . LYS 115 115 18319 1 . HIS 116 116 18319 1 . HIS 117 117 18319 1 . HIS 118 118 18319 1 . HIS 119 119 18319 1 . HIS 120 120 18319 1 . HIS 121 121 18319 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 18319 _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 $Y4_TM1-TM2 . 562 plasmid . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli . . . . . . . . . . . . . . . . . . . . . 18319 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 18319 _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 $Y4_TM1-TM2 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pLC01 . . . . . . 18319 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 18319 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Y4_TM1-TM2 [U-15N] . . 1 $Y4_TM1-TM2 . . 0.5 . . mM . . . . 18319 1 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 18319 1 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 18319 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 18319 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Y4_TM1-TM2 '[U-13C; U-15N]' . . 1 $Y4_TM1-TM2 . . 0.5 . . mM . . . . 18319 2 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 18319 2 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 18319 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 18319 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Y4_TM1-TM2 '[U-13C; U-15N; U-2H]' . . 1 $Y4_TM1-TM2 . . 0.5 . . mM . . . . 18319 3 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 18319 3 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 18319 3 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 18319 _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' 40 . mM 18319 1 pH 6.0 . pH 18319 1 pressure 1 . atm 18319 1 temperature 320 . K 18319 1 stop_ save_ ############################ # Computer software used # ############################ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 18319 _Software.ID 1 _Software.Name CARA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 18319 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 18319 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 18319 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 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 18319 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 700 . . . 18319 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 18319 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18319 1 2 '3D HNCACB' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18319 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18319 1 4 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18319 1 5 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18319 1 6 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18319 1 7 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18319 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 18319 _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 . . . . . . . . . 18319 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 18319 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 18319 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 18319 _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 1 '2D 1H-15N HSQC' . . . 18319 1 2 '3D HNCACB' . . . 18319 1 3 '3D CBCA(CO)NH' . . . 18319 1 4 '3D HCCH-TOCSY' . . . 18319 1 5 '3D 1H-15N NOESY' . . . 18319 1 6 '3D 1H-13C NOESY aliphatic' . . . 18319 1 7 '3D 1H-13C NOESY aromatic' . . . 18319 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 ASN HA H 1 4.868 0.04 . 1 . . . . 2 ASN HA . 18319 1 2 . 1 1 2 2 ASN HB2 H 1 2.848 0.04 . 2 . . . . 2 ASN HB2 . 18319 1 3 . 1 1 2 2 ASN HB3 H 1 2.777 0.04 . 2 . . . . 2 ASN HB3 . 18319 1 4 . 1 1 2 2 ASN HD21 H 1 6.801 0.04 . 2 . . . . 2 ASN HD21 . 18319 1 5 . 1 1 2 2 ASN HD22 H 1 7.571 0.04 . 2 . . . . 2 ASN HD22 . 18319 1 6 . 1 1 2 2 ASN CA C 13 52.684 0.03 . 1 . . . . 2 ASN CA . 18319 1 7 . 1 1 2 2 ASN CB C 13 38.693 0.03 . 1 . . . . 2 ASN CB . 18319 1 8 . 1 1 2 2 ASN ND2 N 15 112.670 0.45 . 1 . . . . 2 ASN ND2 . 18319 1 9 . 1 1 3 3 THR H H 1 8.491 0.04 . 1 . . . . 3 THR H . 18319 1 10 . 1 1 3 3 THR HA H 1 3.852 0.04 . 1 . . . . 3 THR HA . 18319 1 11 . 1 1 3 3 THR HB H 1 4.125 0.04 . 1 . . . . 3 THR HB . 18319 1 12 . 1 1 3 3 THR HG21 H 1 1.132 0.04 . 1 . . . . 3 THR HG2 . 18319 1 13 . 1 1 3 3 THR HG22 H 1 1.132 0.04 . 1 . . . . 3 THR HG2 . 18319 1 14 . 1 1 3 3 THR HG23 H 1 1.132 0.04 . 1 . . . . 3 THR HG2 . 18319 1 15 . 1 1 3 3 THR C C 13 175.956 0.03 . 1 . . . . 3 THR C . 18319 1 16 . 1 1 3 3 THR CA C 13 65.067 0.03 . 1 . . . . 3 THR CA . 18319 1 17 . 1 1 3 3 THR CB C 13 68.512 0.03 . 1 . . . . 3 THR CB . 18319 1 18 . 1 1 3 3 THR CG2 C 13 22.598 0.03 . 1 . . . . 3 THR CG2 . 18319 1 19 . 1 1 3 3 THR N N 15 116.694 0.45 . 1 . . . . 3 THR N . 18319 1 20 . 1 1 4 4 SER H H 1 8.295 0.04 . 1 . . . . 4 SER H . 18319 1 21 . 1 1 4 4 SER HA H 1 4.051 0.04 . 1 . . . . 4 SER HA . 18319 1 22 . 1 1 4 4 SER HB2 H 1 3.850 0.04 . 1 . . . . 4 SER HB2 . 18319 1 23 . 1 1 4 4 SER HB3 H 1 3.850 0.04 . 1 . . . . 4 SER HB3 . 18319 1 24 . 1 1 4 4 SER CA C 13 61.581 0.03 . 1 . . . . 4 SER CA . 18319 1 25 . 1 1 4 4 SER CB C 13 62.551 0.03 . 1 . . . . 4 SER CB . 18319 1 26 . 1 1 4 4 SER N N 15 117.139 0.45 . 1 . . . . 4 SER N . 18319 1 27 . 1 1 5 5 HIS HA H 1 4.412 0.04 . 1 . . . . 5 HIS HA . 18319 1 28 . 1 1 5 5 HIS HB2 H 1 3.172 0.04 . 1 . . . . 5 HIS HB2 . 18319 1 29 . 1 1 5 5 HIS HB3 H 1 3.172 0.04 . 1 . . . . 5 HIS HB3 . 18319 1 30 . 1 1 5 5 HIS CA C 13 57.394 0.03 . 1 . . . . 5 HIS CA . 18319 1 31 . 1 1 5 5 HIS CB C 13 28.704 0.03 . 1 . . . . 5 HIS CB . 18319 1 32 . 1 1 6 6 LEU H H 1 7.549 0.04 . 1 . . . . 6 LEU H . 18319 1 33 . 1 1 6 6 LEU HA H 1 3.949 0.04 . 1 . . . . 6 LEU HA . 18319 1 34 . 1 1 6 6 LEU HB2 H 1 1.709 0.04 . 2 . . . . 6 LEU HB2 . 18319 1 35 . 1 1 6 6 LEU HB3 H 1 1.517 0.04 . 2 . . . . 6 LEU HB3 . 18319 1 36 . 1 1 6 6 LEU HG H 1 1.607 0.04 . 1 . . . . 6 LEU HG . 18319 1 37 . 1 1 6 6 LEU HD11 H 1 0.784 0.04 . 2 . . . . 6 LEU HD1 . 18319 1 38 . 1 1 6 6 LEU HD12 H 1 0.784 0.04 . 2 . . . . 6 LEU HD1 . 18319 1 39 . 1 1 6 6 LEU HD13 H 1 0.784 0.04 . 2 . . . . 6 LEU HD1 . 18319 1 40 . 1 1 6 6 LEU HD21 H 1 0.771 0.04 . 2 . . . . 6 LEU HD2 . 18319 1 41 . 1 1 6 6 LEU HD22 H 1 0.771 0.04 . 2 . . . . 6 LEU HD2 . 18319 1 42 . 1 1 6 6 LEU HD23 H 1 0.771 0.04 . 2 . . . . 6 LEU HD2 . 18319 1 43 . 1 1 6 6 LEU C C 13 178.007 0.03 . 1 . . . . 6 LEU C . 18319 1 44 . 1 1 6 6 LEU CA C 13 57.703 0.03 . 1 . . . . 6 LEU CA . 18319 1 45 . 1 1 6 6 LEU CB C 13 41.934 0.03 . 1 . . . . 6 LEU CB . 18319 1 46 . 1 1 6 6 LEU CG C 13 26.959 0.03 . 1 . . . . 6 LEU CG . 18319 1 47 . 1 1 6 6 LEU CD1 C 13 25.305 0.03 . 1 . . . . 6 LEU CD1 . 18319 1 48 . 1 1 6 6 LEU CD2 C 13 23.920 0.03 . 1 . . . . 6 LEU CD2 . 18319 1 49 . 1 1 6 6 LEU N N 15 118.694 0.45 . 1 . . . . 6 LEU N . 18319 1 50 . 1 1 7 7 LEU H H 1 7.821 0.04 . 1 . . . . 7 LEU H . 18319 1 51 . 1 1 7 7 LEU HA H 1 3.860 0.04 . 1 . . . . 7 LEU HA . 18319 1 52 . 1 1 7 7 LEU HB2 H 1 1.676 0.04 . 2 . . . . 7 LEU HB2 . 18319 1 53 . 1 1 7 7 LEU HB3 H 1 1.502 0.04 . 2 . . . . 7 LEU HB3 . 18319 1 54 . 1 1 7 7 LEU HG H 1 1.701 0.04 . 1 . . . . 7 LEU HG . 18319 1 55 . 1 1 7 7 LEU HD11 H 1 0.823 0.04 . 2 . . . . 7 LEU HD1 . 18319 1 56 . 1 1 7 7 LEU HD12 H 1 0.823 0.04 . 2 . . . . 7 LEU HD1 . 18319 1 57 . 1 1 7 7 LEU HD13 H 1 0.823 0.04 . 2 . . . . 7 LEU HD1 . 18319 1 58 . 1 1 7 7 LEU HD21 H 1 0.765 0.04 . 2 . . . . 7 LEU HD2 . 18319 1 59 . 1 1 7 7 LEU HD22 H 1 0.765 0.04 . 2 . . . . 7 LEU HD2 . 18319 1 60 . 1 1 7 7 LEU HD23 H 1 0.765 0.04 . 2 . . . . 7 LEU HD2 . 18319 1 61 . 1 1 7 7 LEU C C 13 178.092 0.03 . 1 . . . . 7 LEU C . 18319 1 62 . 1 1 7 7 LEU CA C 13 57.689 0.03 . 1 . . . . 7 LEU CA . 18319 1 63 . 1 1 7 7 LEU CB C 13 41.340 0.03 . 1 . . . . 7 LEU CB . 18319 1 64 . 1 1 7 7 LEU CG C 13 27.123 0.03 . 1 . . . . 7 LEU CG . 18319 1 65 . 1 1 7 7 LEU CD1 C 13 25.053 0.03 . 1 . . . . 7 LEU CD1 . 18319 1 66 . 1 1 7 7 LEU CD2 C 13 23.710 0.03 . 1 . . . . 7 LEU CD2 . 18319 1 67 . 1 1 7 7 LEU N N 15 116.449 0.45 . 1 . . . . 7 LEU N . 18319 1 68 . 1 1 8 8 ALA H H 1 7.437 0.04 . 1 . . . . 8 ALA H . 18319 1 69 . 1 1 8 8 ALA HA H 1 3.962 0.04 . 1 . . . . 8 ALA HA . 18319 1 70 . 1 1 8 8 ALA HB1 H 1 1.380 0.04 . 1 . . . . 8 ALA HB . 18319 1 71 . 1 1 8 8 ALA HB2 H 1 1.380 0.04 . 1 . . . . 8 ALA HB . 18319 1 72 . 1 1 8 8 ALA HB3 H 1 1.380 0.04 . 1 . . . . 8 ALA HB . 18319 1 73 . 1 1 8 8 ALA C C 13 179.231 0.03 . 1 . . . . 8 ALA C . 18319 1 74 . 1 1 8 8 ALA CA C 13 54.145 0.03 . 1 . . . . 8 ALA CA . 18319 1 75 . 1 1 8 8 ALA CB C 13 18.206 0.03 . 1 . . . . 8 ALA CB . 18319 1 76 . 1 1 8 8 ALA N N 15 118.519 0.45 . 1 . . . . 8 ALA N . 18319 1 77 . 1 1 9 9 LEU H H 1 7.328 0.04 . 1 . . . . 9 LEU H . 18319 1 78 . 1 1 9 9 LEU HA H 1 4.030 0.04 . 1 . . . . 9 LEU HA . 18319 1 79 . 1 1 9 9 LEU HB2 H 1 1.800 0.04 . 2 . . . . 9 LEU HB2 . 18319 1 80 . 1 1 9 9 LEU HB3 H 1 1.438 0.04 . 2 . . . . 9 LEU HB3 . 18319 1 81 . 1 1 9 9 LEU HG H 1 1.669 0.04 . 1 . . . . 9 LEU HG . 18319 1 82 . 1 1 9 9 LEU HD11 H 1 0.786 0.04 . 2 . . . . 9 LEU HD1 . 18319 1 83 . 1 1 9 9 LEU HD12 H 1 0.786 0.04 . 2 . . . . 9 LEU HD1 . 18319 1 84 . 1 1 9 9 LEU HD13 H 1 0.786 0.04 . 2 . . . . 9 LEU HD1 . 18319 1 85 . 1 1 9 9 LEU HD21 H 1 0.747 0.04 . 2 . . . . 9 LEU HD2 . 18319 1 86 . 1 1 9 9 LEU HD22 H 1 0.747 0.04 . 2 . . . . 9 LEU HD2 . 18319 1 87 . 1 1 9 9 LEU HD23 H 1 0.747 0.04 . 2 . . . . 9 LEU HD2 . 18319 1 88 . 1 1 9 9 LEU C C 13 177.463 0.03 . 1 . . . . 9 LEU C . 18319 1 89 . 1 1 9 9 LEU CA C 13 56.545 0.03 . 1 . . . . 9 LEU CA . 18319 1 90 . 1 1 9 9 LEU CB C 13 42.383 0.03 . 1 . . . . 9 LEU CB . 18319 1 91 . 1 1 9 9 LEU CG C 13 26.660 0.03 . 1 . . . . 9 LEU CG . 18319 1 92 . 1 1 9 9 LEU CD1 C 13 25.340 0.03 . 1 . . . . 9 LEU CD1 . 18319 1 93 . 1 1 9 9 LEU CD2 C 13 23.231 0.03 . 1 . . . . 9 LEU CD2 . 18319 1 94 . 1 1 9 9 LEU N N 15 116.242 0.45 . 1 . . . . 9 LEU N . 18319 1 95 . 1 1 10 10 LEU H H 1 7.356 0.04 . 1 . . . . 10 LEU H . 18319 1 96 . 1 1 10 10 LEU HA H 1 4.143 0.04 . 1 . . . . 10 LEU HA . 18319 1 97 . 1 1 10 10 LEU HB2 H 1 1.648 0.04 . 2 . . . . 10 LEU HB2 . 18319 1 98 . 1 1 10 10 LEU HB3 H 1 1.495 0.04 . 2 . . . . 10 LEU HB3 . 18319 1 99 . 1 1 10 10 LEU HG H 1 1.724 0.04 . 1 . . . . 10 LEU HG . 18319 1 100 . 1 1 10 10 LEU HD11 H 1 0.779 0.04 . 2 . . . . 10 LEU HD1 . 18319 1 101 . 1 1 10 10 LEU HD12 H 1 0.779 0.04 . 2 . . . . 10 LEU HD1 . 18319 1 102 . 1 1 10 10 LEU HD13 H 1 0.779 0.04 . 2 . . . . 10 LEU HD1 . 18319 1 103 . 1 1 10 10 LEU HD21 H 1 0.736 0.04 . 2 . . . . 10 LEU HD2 . 18319 1 104 . 1 1 10 10 LEU HD22 H 1 0.736 0.04 . 2 . . . . 10 LEU HD2 . 18319 1 105 . 1 1 10 10 LEU HD23 H 1 0.736 0.04 . 2 . . . . 10 LEU HD2 . 18319 1 106 . 1 1 10 10 LEU C C 13 175.882 0.03 . 1 . . . . 10 LEU C . 18319 1 107 . 1 1 10 10 LEU CA C 13 55.678 0.03 . 1 . . . . 10 LEU CA . 18319 1 108 . 1 1 10 10 LEU CB C 13 43.514 0.03 . 1 . . . . 10 LEU CB . 18319 1 109 . 1 1 10 10 LEU CG C 13 26.807 0.03 . 1 . . . . 10 LEU CG . 18319 1 110 . 1 1 10 10 LEU CD1 C 13 25.383 0.03 . 1 . . . . 10 LEU CD1 . 18319 1 111 . 1 1 10 10 LEU CD2 C 13 23.340 0.03 . 1 . . . . 10 LEU CD2 . 18319 1 112 . 1 1 10 10 LEU N N 15 115.870 0.45 . 1 . . . . 10 LEU N . 18319 1 113 . 1 1 11 11 LEU H H 1 7.345 0.04 . 1 . . . . 11 LEU H . 18319 1 114 . 1 1 11 11 LEU HA H 1 4.457 0.04 . 1 . . . . 11 LEU HA . 18319 1 115 . 1 1 11 11 LEU HB2 H 1 1.426 0.04 . 2 . . . . 11 LEU HB2 . 18319 1 116 . 1 1 11 11 LEU HB3 H 1 1.584 0.04 . 2 . . . . 11 LEU HB3 . 18319 1 117 . 1 1 11 11 LEU HG H 1 1.651 0.04 . 1 . . . . 11 LEU HG . 18319 1 118 . 1 1 11 11 LEU HD11 H 1 0.809 0.04 . 2 . . . . 11 LEU HD1 . 18319 1 119 . 1 1 11 11 LEU HD12 H 1 0.809 0.04 . 2 . . . . 11 LEU HD1 . 18319 1 120 . 1 1 11 11 LEU HD13 H 1 0.809 0.04 . 2 . . . . 11 LEU HD1 . 18319 1 121 . 1 1 11 11 LEU HD21 H 1 0.793 0.04 . 2 . . . . 11 LEU HD2 . 18319 1 122 . 1 1 11 11 LEU HD22 H 1 0.793 0.04 . 2 . . . . 11 LEU HD2 . 18319 1 123 . 1 1 11 11 LEU HD23 H 1 0.793 0.04 . 2 . . . . 11 LEU HD2 . 18319 1 124 . 1 1 11 11 LEU C C 13 174.681 0.03 . 1 . . . . 11 LEU C . 18319 1 125 . 1 1 11 11 LEU CA C 13 52.755 0.03 . 1 . . . . 11 LEU CA . 18319 1 126 . 1 1 11 11 LEU CB C 13 41.694 0.03 . 1 . . . . 11 LEU CB . 18319 1 127 . 1 1 11 11 LEU CG C 13 26.853 0.03 . 1 . . . . 11 LEU CG . 18319 1 128 . 1 1 11 11 LEU CD1 C 13 25.300 0.03 . 1 . . . . 11 LEU CD1 . 18319 1 129 . 1 1 11 11 LEU CD2 C 13 23.630 0.03 . 1 . . . . 11 LEU CD2 . 18319 1 130 . 1 1 11 11 LEU N N 15 117.105 0.45 . 1 . . . . 11 LEU N . 18319 1 131 . 1 1 12 12 PRO HA H 1 4.374 0.04 . 1 . . . . 12 PRO HA . 18319 1 132 . 1 1 12 12 PRO HB2 H 1 2.219 0.04 . 2 . . . . 12 PRO HB2 . 18319 1 133 . 1 1 12 12 PRO HB3 H 1 1.787 0.04 . 2 . . . . 12 PRO HB3 . 18319 1 134 . 1 1 12 12 PRO HG2 H 1 1.908 0.04 . 1 . . . . 12 PRO HG2 . 18319 1 135 . 1 1 12 12 PRO HG3 H 1 1.908 0.04 . 1 . . . . 12 PRO HG3 . 18319 1 136 . 1 1 12 12 PRO HD2 H 1 3.626 0.04 . 1 . . . . 12 PRO HD2 . 18319 1 137 . 1 1 12 12 PRO HD3 H 1 3.626 0.04 . 1 . . . . 12 PRO HD3 . 18319 1 138 . 1 1 12 12 PRO CA C 13 63.131 0.03 . 1 . . . . 12 PRO CA . 18319 1 139 . 1 1 12 12 PRO CB C 13 31.963 0.03 . 1 . . . . 12 PRO CB . 18319 1 140 . 1 1 12 12 PRO CG C 13 27.498 0.03 . 1 . . . . 12 PRO CG . 18319 1 141 . 1 1 12 12 PRO CD C 13 50.698 0.03 . 1 . . . . 12 PRO CD . 18319 1 142 . 1 1 13 13 LYS H H 1 8.194 0.04 . 1 . . . . 13 LYS H . 18319 1 143 . 1 1 13 13 LYS HA H 1 4.289 0.04 . 1 . . . . 13 LYS HA . 18319 1 144 . 1 1 13 13 LYS HB2 H 1 1.749 0.04 . 2 . . . . 13 LYS HB2 . 18319 1 145 . 1 1 13 13 LYS HB3 H 1 1.643 0.04 . 2 . . . . 13 LYS HB3 . 18319 1 146 . 1 1 13 13 LYS HG2 H 1 1.386 0.04 . 1 . . . . 13 LYS HG2 . 18319 1 147 . 1 1 13 13 LYS HG3 H 1 1.386 0.04 . 1 . . . . 13 LYS HG3 . 18319 1 148 . 1 1 13 13 LYS HD2 H 1 1.592 0.04 . 1 . . . . 13 LYS HD2 . 18319 1 149 . 1 1 13 13 LYS HD3 H 1 1.592 0.04 . 1 . . . . 13 LYS HD3 . 18319 1 150 . 1 1 13 13 LYS HE2 H 1 2.920 0.04 . 1 . . . . 13 LYS HE2 . 18319 1 151 . 1 1 13 13 LYS HE3 H 1 2.920 0.04 . 1 . . . . 13 LYS HE3 . 18319 1 152 . 1 1 13 13 LYS C C 13 176.350 0.03 . 1 . . . . 13 LYS C . 18319 1 153 . 1 1 13 13 LYS CA C 13 55.560 0.03 . 1 . . . . 13 LYS CA . 18319 1 154 . 1 1 13 13 LYS CB C 13 33.116 0.03 . 1 . . . . 13 LYS CB . 18319 1 155 . 1 1 13 13 LYS CG C 13 24.613 0.03 . 1 . . . . 13 LYS CG . 18319 1 156 . 1 1 13 13 LYS CD C 13 28.777 0.03 . 1 . . . . 13 LYS CD . 18319 1 157 . 1 1 13 13 LYS CE C 13 42.169 0.03 . 1 . . . . 13 LYS CE . 18319 1 158 . 1 1 13 13 LYS N N 15 120.565 0.45 . 1 . . . . 13 LYS N . 18319 1 159 . 1 1 14 14 SER H H 1 8.152 0.04 . 1 . . . . 14 SER H . 18319 1 160 . 1 1 14 14 SER HA H 1 4.617 0.04 . 1 . . . . 14 SER HA . 18319 1 161 . 1 1 14 14 SER HB2 H 1 3.754 0.04 . 1 . . . . 14 SER HB2 . 18319 1 162 . 1 1 14 14 SER HB3 H 1 3.754 0.04 . 1 . . . . 14 SER HB3 . 18319 1 163 . 1 1 14 14 SER C C 13 173.046 0.03 . 1 . . . . 14 SER C . 18319 1 164 . 1 1 14 14 SER CA C 13 56.318 0.03 . 1 . . . . 14 SER CA . 18319 1 165 . 1 1 14 14 SER CB C 13 63.387 0.03 . 1 . . . . 14 SER CB . 18319 1 166 . 1 1 14 14 SER N N 15 117.371 0.45 . 1 . . . . 14 SER N . 18319 1 167 . 1 1 15 15 PRO HA H 1 4.352 0.04 . 1 . . . . 15 PRO HA . 18319 1 168 . 1 1 15 15 PRO HB2 H 1 2.223 0.04 . 2 . . . . 15 PRO HB2 . 18319 1 169 . 1 1 15 15 PRO HB3 H 1 1.793 0.04 . 2 . . . . 15 PRO HB3 . 18319 1 170 . 1 1 15 15 PRO HG2 H 1 1.920 0.04 . 1 . . . . 15 PRO HG2 . 18319 1 171 . 1 1 15 15 PRO HG3 H 1 1.920 0.04 . 1 . . . . 15 PRO HG3 . 18319 1 172 . 1 1 15 15 PRO HD2 H 1 3.629 0.04 . 1 . . . . 15 PRO HD2 . 18319 1 173 . 1 1 15 15 PRO HD3 H 1 3.629 0.04 . 1 . . . . 15 PRO HD3 . 18319 1 174 . 1 1 15 15 PRO CA C 13 63.450 0.03 . 1 . . . . 15 PRO CA . 18319 1 175 . 1 1 15 15 PRO CB C 13 32.011 0.03 . 1 . . . . 15 PRO CB . 18319 1 176 . 1 1 15 15 PRO CG C 13 27.261 0.03 . 1 . . . . 15 PRO CG . 18319 1 177 . 1 1 15 15 PRO CD C 13 50.653 0.03 . 1 . . . . 15 PRO CD . 18319 1 178 . 1 1 16 16 GLN H H 1 8.226 0.04 . 1 . . . . 16 GLN H . 18319 1 179 . 1 1 16 16 GLN HA H 1 4.220 0.04 . 1 . . . . 16 GLN HA . 18319 1 180 . 1 1 16 16 GLN HB2 H 1 1.871 0.04 . 2 . . . . 16 GLN HB2 . 18319 1 181 . 1 1 16 16 GLN HB3 H 1 2.033 0.04 . 2 . . . . 16 GLN HB3 . 18319 1 182 . 1 1 16 16 GLN HG2 H 1 2.285 0.04 . 1 . . . . 16 GLN HG2 . 18319 1 183 . 1 1 16 16 GLN HG3 H 1 2.285 0.04 . 1 . . . . 16 GLN HG3 . 18319 1 184 . 1 1 16 16 GLN HE21 H 1 7.344 0.04 . 2 . . . . 16 GLN HE21 . 18319 1 185 . 1 1 16 16 GLN HE22 H 1 6.665 0.04 . 2 . . . . 16 GLN HE22 . 18319 1 186 . 1 1 16 16 GLN C C 13 176.399 0.03 . 1 . . . . 16 GLN C . 18319 1 187 . 1 1 16 16 GLN CA C 13 55.931 0.03 . 1 . . . . 16 GLN CA . 18319 1 188 . 1 1 16 16 GLN CB C 13 29.332 0.03 . 1 . . . . 16 GLN CB . 18319 1 189 . 1 1 16 16 GLN CG C 13 33.815 0.03 . 1 . . . . 16 GLN CG . 18319 1 190 . 1 1 16 16 GLN N N 15 119.395 0.45 . 1 . . . . 16 GLN N . 18319 1 191 . 1 1 16 16 GLN NE2 N 15 111.967 0.45 . 1 . . . . 16 GLN NE2 . 18319 1 192 . 1 1 17 17 GLY H H 1 8.134 0.04 . 1 . . . . 17 GLY H . 18319 1 193 . 1 1 17 17 GLY HA2 H 1 3.831 0.04 . 2 . . . . 17 GLY HA2 . 18319 1 194 . 1 1 17 17 GLY HA3 H 1 3.880 0.04 . 2 . . . . 17 GLY HA3 . 18319 1 195 . 1 1 17 17 GLY C C 13 174.064 0.03 . 1 . . . . 17 GLY C . 18319 1 196 . 1 1 17 17 GLY CA C 13 45.397 0.03 . 1 . . . . 17 GLY CA . 18319 1 197 . 1 1 17 17 GLY N N 15 109.490 0.45 . 1 . . . . 17 GLY N . 18319 1 198 . 1 1 18 18 GLU H H 1 8.114 0.04 . 1 . . . . 18 GLU H . 18319 1 199 . 1 1 18 18 GLU HA H 1 4.179 0.04 . 1 . . . . 18 GLU HA . 18319 1 200 . 1 1 18 18 GLU HB2 H 1 1.823 0.04 . 2 . . . . 18 GLU HB2 . 18319 1 201 . 1 1 18 18 GLU HB3 H 1 1.947 0.04 . 2 . . . . 18 GLU HB3 . 18319 1 202 . 1 1 18 18 GLU HG2 H 1 2.136 0.04 . 1 . . . . 18 GLU HG2 . 18319 1 203 . 1 1 18 18 GLU HG3 H 1 2.136 0.04 . 1 . . . . 18 GLU HG3 . 18319 1 204 . 1 1 18 18 GLU C C 13 176.105 0.03 . 1 . . . . 18 GLU C . 18319 1 205 . 1 1 18 18 GLU CA C 13 56.559 0.03 . 1 . . . . 18 GLU CA . 18319 1 206 . 1 1 18 18 GLU CB C 13 30.208 0.03 . 1 . . . . 18 GLU CB . 18319 1 207 . 1 1 18 18 GLU CG C 13 35.909 0.03 . 1 . . . . 18 GLU CG . 18319 1 208 . 1 1 18 18 GLU N N 15 120.268 0.45 . 1 . . . . 18 GLU N . 18319 1 209 . 1 1 19 19 ASN H H 1 8.294 0.04 . 1 . . . . 19 ASN H . 18319 1 210 . 1 1 19 19 ASN HA H 1 4.586 0.04 . 1 . . . . 19 ASN HA . 18319 1 211 . 1 1 19 19 ASN HB2 H 1 2.748 0.04 . 2 . . . . 19 ASN HB2 . 18319 1 212 . 1 1 19 19 ASN HB3 H 1 2.652 0.04 . 2 . . . . 19 ASN HB3 . 18319 1 213 . 1 1 19 19 ASN HD21 H 1 6.764 0.04 . 2 . . . . 19 ASN HD21 . 18319 1 214 . 1 1 19 19 ASN HD22 H 1 7.427 0.04 . 2 . . . . 19 ASN HD22 . 18319 1 215 . 1 1 19 19 ASN C C 13 174.891 0.03 . 1 . . . . 19 ASN C . 18319 1 216 . 1 1 19 19 ASN CA C 13 53.396 0.03 . 1 . . . . 19 ASN CA . 18319 1 217 . 1 1 19 19 ASN CB C 13 38.781 0.03 . 1 . . . . 19 ASN CB . 18319 1 218 . 1 1 19 19 ASN N N 15 119.091 0.45 . 1 . . . . 19 ASN N . 18319 1 219 . 1 1 20 20 ARG H H 1 8.081 0.04 . 1 . . . . 20 ARG H . 18319 1 220 . 1 1 20 20 ARG HA H 1 4.248 0.04 . 1 . . . . 20 ARG HA . 18319 1 221 . 1 1 20 20 ARG HB2 H 1 1.789 0.04 . 2 . . . . 20 ARG HB2 . 18319 1 222 . 1 1 20 20 ARG HB3 H 1 1.653 0.04 . 2 . . . . 20 ARG HB3 . 18319 1 223 . 1 1 20 20 ARG HG2 H 1 1.520 0.04 . 1 . . . . 20 ARG HG2 . 18319 1 224 . 1 1 20 20 ARG HG3 H 1 1.520 0.04 . 1 . . . . 20 ARG HG3 . 18319 1 225 . 1 1 20 20 ARG HD2 H 1 3.111 0.04 . 1 . . . . 20 ARG HD2 . 18319 1 226 . 1 1 20 20 ARG HD3 H 1 3.111 0.04 . 1 . . . . 20 ARG HD3 . 18319 1 227 . 1 1 20 20 ARG HE H 1 7.235 0.04 . 1 . . . . 20 ARG HE . 18319 1 228 . 1 1 20 20 ARG C C 13 175.979 0.03 . 1 . . . . 20 ARG C . 18319 1 229 . 1 1 20 20 ARG CA C 13 55.954 0.03 . 1 . . . . 20 ARG CA . 18319 1 230 . 1 1 20 20 ARG CB C 13 30.697 0.03 . 1 . . . . 20 ARG CB . 18319 1 231 . 1 1 20 20 ARG CG C 13 27.246 0.03 . 1 . . . . 20 ARG CG . 18319 1 232 . 1 1 20 20 ARG CD C 13 43.312 0.03 . 1 . . . . 20 ARG CD . 18319 1 233 . 1 1 20 20 ARG N N 15 121.059 0.45 . 1 . . . . 20 ARG N . 18319 1 234 . 1 1 21 21 SER H H 1 8.134 0.04 . 1 . . . . 21 SER H . 18319 1 235 . 1 1 21 21 SER HA H 1 4.324 0.04 . 1 . . . . 21 SER HA . 18319 1 236 . 1 1 21 21 SER HB2 H 1 3.751 0.04 . 1 . . . . 21 SER HB2 . 18319 1 237 . 1 1 21 21 SER HB3 H 1 3.751 0.04 . 1 . . . . 21 SER HB3 . 18319 1 238 . 1 1 21 21 SER C C 13 173.757 0.03 . 1 . . . . 21 SER C . 18319 1 239 . 1 1 21 21 SER CA C 13 58.385 0.03 . 1 . . . . 21 SER CA . 18319 1 240 . 1 1 21 21 SER CB C 13 63.816 0.03 . 1 . . . . 21 SER CB . 18319 1 241 . 1 1 21 21 SER N N 15 116.577 0.45 . 1 . . . . 21 SER N . 18319 1 242 . 1 1 22 22 LYS H H 1 7.976 0.04 . 1 . . . . 22 LYS H . 18319 1 243 . 1 1 22 22 LYS HA H 1 4.526 0.04 . 1 . . . . 22 LYS HA . 18319 1 244 . 1 1 22 22 LYS HB2 H 1 1.614 0.04 . 2 . . . . 22 LYS HB2 . 18319 1 245 . 1 1 22 22 LYS HB3 H 1 1.712 0.04 . 2 . . . . 22 LYS HB3 . 18319 1 246 . 1 1 22 22 LYS HG2 H 1 1.337 0.04 . 1 . . . . 22 LYS HG2 . 18319 1 247 . 1 1 22 22 LYS HG3 H 1 1.337 0.04 . 1 . . . . 22 LYS HG3 . 18319 1 248 . 1 1 22 22 LYS HD2 H 1 1.592 0.04 . 1 . . . . 22 LYS HD2 . 18319 1 249 . 1 1 22 22 LYS HD3 H 1 1.592 0.04 . 1 . . . . 22 LYS HD3 . 18319 1 250 . 1 1 22 22 LYS HE2 H 1 2.895 0.04 . 1 . . . . 22 LYS HE2 . 18319 1 251 . 1 1 22 22 LYS HE3 H 1 2.895 0.04 . 1 . . . . 22 LYS HE3 . 18319 1 252 . 1 1 22 22 LYS C C 13 174.260 0.03 . 1 . . . . 22 LYS C . 18319 1 253 . 1 1 22 22 LYS CA C 13 54.171 0.03 . 1 . . . . 22 LYS CA . 18319 1 254 . 1 1 22 22 LYS CB C 13 32.662 0.03 . 1 . . . . 22 LYS CB . 18319 1 255 . 1 1 22 22 LYS CG C 13 24.369 0.03 . 1 . . . . 22 LYS CG . 18319 1 256 . 1 1 22 22 LYS CD C 13 29.125 0.03 . 1 . . . . 22 LYS CD . 18319 1 257 . 1 1 22 22 LYS CE C 13 42.078 0.03 . 1 . . . . 22 LYS CE . 18319 1 258 . 1 1 22 22 LYS N N 15 123.102 0.45 . 1 . . . . 22 LYS N . 18319 1 259 . 1 1 23 23 PRO HA H 1 4.323 0.04 . 1 . . . . 23 PRO HA . 18319 1 260 . 1 1 23 23 PRO HB2 H 1 2.170 0.04 . 1 . . . . 23 PRO HB2 . 18319 1 261 . 1 1 23 23 PRO HB3 H 1 2.170 0.04 . 1 . . . . 23 PRO HB3 . 18319 1 262 . 1 1 23 23 PRO HG2 H 1 1.891 0.04 . 1 . . . . 23 PRO HG2 . 18319 1 263 . 1 1 23 23 PRO HG3 H 1 1.891 0.04 . 1 . . . . 23 PRO HG3 . 18319 1 264 . 1 1 23 23 PRO HD2 H 1 3.689 0.04 . 2 . . . . 23 PRO HD2 . 18319 1 265 . 1 1 23 23 PRO HD3 H 1 3.531 0.04 . 2 . . . . 23 PRO HD3 . 18319 1 266 . 1 1 23 23 PRO CA C 13 63.194 0.03 . 1 . . . . 23 PRO CA . 18319 1 267 . 1 1 23 23 PRO CB C 13 31.446 0.03 . 1 . . . . 23 PRO CB . 18319 1 268 . 1 1 23 23 PRO CG C 13 27.386 0.03 . 1 . . . . 23 PRO CG . 18319 1 269 . 1 1 23 23 PRO CD C 13 50.369 0.03 . 1 . . . . 23 PRO CD . 18319 1 270 . 1 1 24 24 LEU H H 1 8.085 0.04 . 1 . . . . 24 LEU H . 18319 1 271 . 1 1 24 24 LEU HA H 1 4.210 0.04 . 1 . . . . 24 LEU HA . 18319 1 272 . 1 1 24 24 LEU HB2 H 1 1.564 0.04 . 2 . . . . 24 LEU HB2 . 18319 1 273 . 1 1 24 24 LEU HB3 H 1 1.508 0.04 . 2 . . . . 24 LEU HB3 . 18319 1 274 . 1 1 24 24 LEU HG H 1 1.575 0.04 . 1 . . . . 24 LEU HG . 18319 1 275 . 1 1 24 24 LEU HD11 H 1 0.809 0.04 . 2 . . . . 24 LEU HD1 . 18319 1 276 . 1 1 24 24 LEU HD12 H 1 0.809 0.04 . 2 . . . . 24 LEU HD1 . 18319 1 277 . 1 1 24 24 LEU HD13 H 1 0.809 0.04 . 2 . . . . 24 LEU HD1 . 18319 1 278 . 1 1 24 24 LEU HD21 H 1 0.773 0.04 . 2 . . . . 24 LEU HD2 . 18319 1 279 . 1 1 24 24 LEU HD22 H 1 0.773 0.04 . 2 . . . . 24 LEU HD2 . 18319 1 280 . 1 1 24 24 LEU HD23 H 1 0.773 0.04 . 2 . . . . 24 LEU HD2 . 18319 1 281 . 1 1 24 24 LEU C C 13 177.019 0.03 . 1 . . . . 24 LEU C . 18319 1 282 . 1 1 24 24 LEU CA C 13 55.316 0.03 . 1 . . . . 24 LEU CA . 18319 1 283 . 1 1 24 24 LEU CB C 13 42.496 0.03 . 1 . . . . 24 LEU CB . 18319 1 284 . 1 1 24 24 LEU CG C 13 27.324 0.03 . 1 . . . . 24 LEU CG . 18319 1 285 . 1 1 24 24 LEU CD1 C 13 25.112 0.03 . 1 . . . . 24 LEU CD1 . 18319 1 286 . 1 1 24 24 LEU CD2 C 13 23.799 0.03 . 1 . . . . 24 LEU CD2 . 18319 1 287 . 1 1 24 24 LEU N N 15 120.877 0.45 . 1 . . . . 24 LEU N . 18319 1 288 . 1 1 25 25 GLY H H 1 8.056 0.04 . 1 . . . . 25 GLY H . 18319 1 289 . 1 1 25 25 GLY HA2 H 1 3.899 0.04 . 2 . . . . 25 GLY HA2 . 18319 1 290 . 1 1 25 25 GLY HA3 H 1 3.831 0.04 . 2 . . . . 25 GLY HA3 . 18319 1 291 . 1 1 25 25 GLY C C 13 173.293 0.03 . 1 . . . . 25 GLY C . 18319 1 292 . 1 1 25 25 GLY CA C 13 45.205 0.03 . 1 . . . . 25 GLY CA . 18319 1 293 . 1 1 25 25 GLY N N 15 108.317 0.45 . 1 . . . . 25 GLY N . 18319 1 294 . 1 1 26 26 THR H H 1 7.818 0.04 . 1 . . . . 26 THR H . 18319 1 295 . 1 1 26 26 THR HA H 1 4.485 0.04 . 1 . . . . 26 THR HA . 18319 1 296 . 1 1 26 26 THR HB H 1 4.029 0.04 . 1 . . . . 26 THR HB . 18319 1 297 . 1 1 26 26 THR HG21 H 1 1.096 0.04 . 1 . . . . 26 THR HG2 . 18319 1 298 . 1 1 26 26 THR HG22 H 1 1.096 0.04 . 1 . . . . 26 THR HG2 . 18319 1 299 . 1 1 26 26 THR HG23 H 1 1.096 0.04 . 1 . . . . 26 THR HG2 . 18319 1 300 . 1 1 26 26 THR C C 13 173.156 0.03 . 1 . . . . 26 THR C . 18319 1 301 . 1 1 26 26 THR CA C 13 59.659 0.03 . 1 . . . . 26 THR CA . 18319 1 302 . 1 1 26 26 THR CB C 13 69.575 0.03 . 1 . . . . 26 THR CB . 18319 1 303 . 1 1 26 26 THR CG2 C 13 21.580 0.03 . 1 . . . . 26 THR CG2 . 18319 1 304 . 1 1 26 26 THR N N 15 114.260 0.45 . 1 . . . . 26 THR N . 18319 1 305 . 1 1 27 27 PRO HA H 1 4.308 0.04 . 1 . . . . 27 PRO HA . 18319 1 306 . 1 1 27 27 PRO HB2 H 1 2.175 0.04 . 1 . . . . 27 PRO HB2 . 18319 1 307 . 1 1 27 27 PRO HB3 H 1 2.175 0.04 . 1 . . . . 27 PRO HB3 . 18319 1 308 . 1 1 27 27 PRO HG2 H 1 1.873 0.04 . 1 . . . . 27 PRO HG2 . 18319 1 309 . 1 1 27 27 PRO HG3 H 1 1.873 0.04 . 1 . . . . 27 PRO HG3 . 18319 1 310 . 1 1 27 27 PRO HD2 H 1 3.685 0.04 . 2 . . . . 27 PRO HD2 . 18319 1 311 . 1 1 27 27 PRO HD3 H 1 3.516 0.04 . 2 . . . . 27 PRO HD3 . 18319 1 312 . 1 1 27 27 PRO CA C 13 63.412 0.03 . 1 . . . . 27 PRO CA . 18319 1 313 . 1 1 27 27 PRO CB C 13 31.762 0.03 . 1 . . . . 27 PRO CB . 18319 1 314 . 1 1 27 27 PRO CG C 13 27.261 0.03 . 1 . . . . 27 PRO CG . 18319 1 315 . 1 1 27 27 PRO CD C 13 50.414 0.03 . 1 . . . . 27 PRO CD . 18319 1 316 . 1 1 28 28 TYR H H 1 7.724 0.04 . 1 . . . . 28 TYR H . 18319 1 317 . 1 1 28 28 TYR HA H 1 4.272 0.04 . 1 . . . . 28 TYR HA . 18319 1 318 . 1 1 28 28 TYR HB2 H 1 2.710 0.04 . 1 . . . . 28 TYR HB2 . 18319 1 319 . 1 1 28 28 TYR HB3 H 1 2.710 0.04 . 1 . . . . 28 TYR HB3 . 18319 1 320 . 1 1 28 28 TYR HD1 H 1 7.023 0.04 . 1 . . . . 28 TYR HD1 . 18319 1 321 . 1 1 28 28 TYR HD2 H 1 7.023 0.04 . 1 . . . . 28 TYR HD2 . 18319 1 322 . 1 1 28 28 TYR HE1 H 1 6.802 0.04 . 1 . . . . 28 TYR HE1 . 18319 1 323 . 1 1 28 28 TYR HE2 H 1 6.802 0.04 . 1 . . . . 28 TYR HE2 . 18319 1 324 . 1 1 28 28 TYR C C 13 174.899 0.03 . 1 . . . . 28 TYR C . 18319 1 325 . 1 1 28 28 TYR CA C 13 58.018 0.03 . 1 . . . . 28 TYR CA . 18319 1 326 . 1 1 28 28 TYR CB C 13 38.725 0.03 . 1 . . . . 28 TYR CB . 18319 1 327 . 1 1 28 28 TYR N N 15 118.811 0.45 . 1 . . . . 28 TYR N . 18319 1 328 . 1 1 29 29 ASN H H 1 8.070 0.04 . 1 . . . . 29 ASN H . 18319 1 329 . 1 1 29 29 ASN HA H 1 4.588 0.04 . 1 . . . . 29 ASN HA . 18319 1 330 . 1 1 29 29 ASN HB2 H 1 2.748 0.04 . 2 . . . . 29 ASN HB2 . 18319 1 331 . 1 1 29 29 ASN HB3 H 1 2.570 0.04 . 2 . . . . 29 ASN HB3 . 18319 1 332 . 1 1 29 29 ASN HD21 H 1 6.749 0.04 . 2 . . . . 29 ASN HD21 . 18319 1 333 . 1 1 29 29 ASN HD22 H 1 7.417 0.04 . 2 . . . . 29 ASN HD22 . 18319 1 334 . 1 1 29 29 ASN C C 13 175.384 0.03 . 1 . . . . 29 ASN C . 18319 1 335 . 1 1 29 29 ASN CA C 13 52.644 0.03 . 1 . . . . 29 ASN CA . 18319 1 336 . 1 1 29 29 ASN CB C 13 38.195 0.03 . 1 . . . . 29 ASN CB . 18319 1 337 . 1 1 29 29 ASN N N 15 119.885 0.45 . 1 . . . . 29 ASN N . 18319 1 338 . 1 1 29 29 ASN ND2 N 15 112.593 0.45 . 1 . . . . 29 ASN ND2 . 18319 1 339 . 1 1 30 30 PHE H H 1 8.094 0.04 . 1 . . . . 30 PHE H . 18319 1 340 . 1 1 30 30 PHE HA H 1 4.286 0.04 . 1 . . . . 30 PHE HA . 18319 1 341 . 1 1 30 30 PHE HB2 H 1 3.059 0.04 . 1 . . . . 30 PHE HB2 . 18319 1 342 . 1 1 30 30 PHE HB3 H 1 3.059 0.04 . 1 . . . . 30 PHE HB3 . 18319 1 343 . 1 1 30 30 PHE HD1 H 1 7.164 0.04 . 1 . . . . 30 PHE HD1 . 18319 1 344 . 1 1 30 30 PHE HD2 H 1 7.164 0.04 . 1 . . . . 30 PHE HD2 . 18319 1 345 . 1 1 30 30 PHE C C 13 176.702 0.03 . 1 . . . . 30 PHE C . 18319 1 346 . 1 1 30 30 PHE CA C 13 60.144 0.03 . 1 . . . . 30 PHE CA . 18319 1 347 . 1 1 30 30 PHE CB C 13 39.355 0.03 . 1 . . . . 30 PHE CB . 18319 1 348 . 1 1 30 30 PHE N N 15 121.318 0.45 . 1 . . . . 30 PHE N . 18319 1 349 . 1 1 31 31 SER H H 1 8.203 0.04 . 1 . . . . 31 SER H . 18319 1 350 . 1 1 31 31 SER HA H 1 4.072 0.04 . 1 . . . . 31 SER HA . 18319 1 351 . 1 1 31 31 SER HB2 H 1 3.881 0.04 . 2 . . . . 31 SER HB2 . 18319 1 352 . 1 1 31 31 SER HB3 H 1 3.777 0.04 . 2 . . . . 31 SER HB3 . 18319 1 353 . 1 1 31 31 SER C C 13 175.609 0.03 . 1 . . . . 31 SER C . 18319 1 354 . 1 1 31 31 SER CA C 13 60.521 0.03 . 1 . . . . 31 SER CA . 18319 1 355 . 1 1 31 31 SER CB C 13 63.097 0.03 . 1 . . . . 31 SER CB . 18319 1 356 . 1 1 31 31 SER N N 15 114.741 0.45 . 1 . . . . 31 SER N . 18319 1 357 . 1 1 32 32 GLU H H 1 7.862 0.04 . 1 . . . . 32 GLU H . 18319 1 358 . 1 1 32 32 GLU HA H 1 4.027 0.04 . 1 . . . . 32 GLU HA . 18319 1 359 . 1 1 32 32 GLU HB2 H 1 1.772 0.04 . 1 . . . . 32 GLU HB2 . 18319 1 360 . 1 1 32 32 GLU HB3 H 1 1.772 0.04 . 1 . . . . 32 GLU HB3 . 18319 1 361 . 1 1 32 32 GLU HG2 H 1 2.034 0.04 . 1 . . . . 32 GLU HG2 . 18319 1 362 . 1 1 32 32 GLU HG3 H 1 2.034 0.04 . 1 . . . . 32 GLU HG3 . 18319 1 363 . 1 1 32 32 GLU C C 13 177.125 0.03 . 1 . . . . 32 GLU C . 18319 1 364 . 1 1 32 32 GLU CA C 13 57.955 0.03 . 1 . . . . 32 GLU CA . 18319 1 365 . 1 1 32 32 GLU CB C 13 29.405 0.03 . 1 . . . . 32 GLU CB . 18319 1 366 . 1 1 32 32 GLU CG C 13 35.737 0.03 . 1 . . . . 32 GLU CG . 18319 1 367 . 1 1 32 32 GLU N N 15 120.934 0.45 . 1 . . . . 32 GLU N . 18319 1 368 . 1 1 33 33 HIS H H 1 7.850 0.04 . 1 . . . . 33 HIS H . 18319 1 369 . 1 1 33 33 HIS HA H 1 4.659 0.04 . 1 . . . . 33 HIS HA . 18319 1 370 . 1 1 33 33 HIS HB2 H 1 3.277 0.04 . 2 . . . . 33 HIS HB2 . 18319 1 371 . 1 1 33 33 HIS HB3 H 1 2.961 0.04 . 2 . . . . 33 HIS HB3 . 18319 1 372 . 1 1 33 33 HIS C C 13 175.614 0.03 . 1 . . . . 33 HIS C . 18319 1 373 . 1 1 33 33 HIS CA C 13 56.334 0.03 . 1 . . . . 33 HIS CA . 18319 1 374 . 1 1 33 33 HIS CB C 13 29.079 0.03 . 1 . . . . 33 HIS CB . 18319 1 375 . 1 1 33 33 HIS N N 15 115.491 0.45 . 1 . . . . 33 HIS N . 18319 1 376 . 1 1 34 34 CYS H H 1 7.956 0.04 . 1 . . . . 34 CYS H . 18319 1 377 . 1 1 34 34 CYS HA H 1 4.207 0.04 . 1 . . . . 34 CYS HA . 18319 1 378 . 1 1 34 34 CYS HB2 H 1 2.826 0.04 . 2 . . . . 34 CYS HB2 . 18319 1 379 . 1 1 34 34 CYS HB3 H 1 2.735 0.04 . 2 . . . . 34 CYS HB3 . 18319 1 380 . 1 1 34 34 CYS C C 13 175.257 0.03 . 1 . . . . 34 CYS C . 18319 1 381 . 1 1 34 34 CYS CA C 13 60.958 0.03 . 1 . . . . 34 CYS CA . 18319 1 382 . 1 1 34 34 CYS CB C 13 27.465 0.03 . 1 . . . . 34 CYS CB . 18319 1 383 . 1 1 34 34 CYS N N 15 118.719 0.45 . 1 . . . . 34 CYS N . 18319 1 384 . 1 1 35 35 GLN H H 1 8.262 0.04 . 1 . . . . 35 GLN H . 18319 1 385 . 1 1 35 35 GLN HA H 1 3.953 0.04 . 1 . . . . 35 GLN HA . 18319 1 386 . 1 1 35 35 GLN HB2 H 1 2.039 0.04 . 1 . . . . 35 GLN HB2 . 18319 1 387 . 1 1 35 35 GLN HB3 H 1 2.039 0.04 . 1 . . . . 35 GLN HB3 . 18319 1 388 . 1 1 35 35 GLN HG2 H 1 2.295 0.04 . 1 . . . . 35 GLN HG2 . 18319 1 389 . 1 1 35 35 GLN HG3 H 1 2.295 0.04 . 1 . . . . 35 GLN HG3 . 18319 1 390 . 1 1 35 35 GLN HE21 H 1 7.413 0.04 . 2 . . . . 35 GLN HE21 . 18319 1 391 . 1 1 35 35 GLN HE22 H 1 6.596 0.04 . 2 . . . . 35 GLN HE22 . 18319 1 392 . 1 1 35 35 GLN C C 13 176.773 0.03 . 1 . . . . 35 GLN C . 18319 1 393 . 1 1 35 35 GLN CA C 13 58.322 0.03 . 1 . . . . 35 GLN CA . 18319 1 394 . 1 1 35 35 GLN CB C 13 28.535 0.03 . 1 . . . . 35 GLN CB . 18319 1 395 . 1 1 35 35 GLN CG C 13 33.859 0.03 . 1 . . . . 35 GLN CG . 18319 1 396 . 1 1 35 35 GLN N N 15 120.596 0.45 . 1 . . . . 35 GLN N . 18319 1 397 . 1 1 35 35 GLN NE2 N 15 112.091 0.45 . 1 . . . . 35 GLN NE2 . 18319 1 398 . 1 1 36 36 ASP H H 1 8.105 0.04 . 1 . . . . 36 ASP H . 18319 1 399 . 1 1 36 36 ASP HA H 1 4.449 0.04 . 1 . . . . 36 ASP HA . 18319 1 400 . 1 1 36 36 ASP HB2 H 1 2.694 0.04 . 1 . . . . 36 ASP HB2 . 18319 1 401 . 1 1 36 36 ASP C C 13 177.393 0.03 . 1 . . . . 36 ASP C . 18319 1 402 . 1 1 36 36 ASP CA C 13 55.881 0.03 . 1 . . . . 36 ASP CA . 18319 1 403 . 1 1 36 36 ASP CB C 13 40.282 0.03 . 1 . . . . 36 ASP CB . 18319 1 404 . 1 1 36 36 ASP N N 15 118.367 0.45 . 1 . . . . 36 ASP N . 18319 1 405 . 1 1 37 37 SER H H 1 7.825 0.04 . 1 . . . . 37 SER H . 18319 1 406 . 1 1 37 37 SER HA H 1 4.164 0.04 . 1 . . . . 37 SER HA . 18319 1 407 . 1 1 37 37 SER HB2 H 1 3.883 0.04 . 2 . . . . 37 SER HB2 . 18319 1 408 . 1 1 37 37 SER HB3 H 1 3.756 0.04 . 2 . . . . 37 SER HB3 . 18319 1 409 . 1 1 37 37 SER C C 13 175.333 0.03 . 1 . . . . 37 SER C . 18319 1 410 . 1 1 37 37 SER CA C 13 61.723 0.03 . 1 . . . . 37 SER CA . 18319 1 411 . 1 1 37 37 SER CB C 13 63.268 0.03 . 1 . . . . 37 SER CB . 18319 1 412 . 1 1 37 37 SER N N 15 114.830 0.45 . 1 . . . . 37 SER N . 18319 1 413 . 1 1 38 38 VAL H H 1 7.808 0.04 . 1 . . . . 38 VAL H . 18319 1 414 . 1 1 38 38 VAL HA H 1 3.603 0.04 . 1 . . . . 38 VAL HA . 18319 1 415 . 1 1 38 38 VAL HB H 1 2.118 0.04 . 1 . . . . 38 VAL HB . 18319 1 416 . 1 1 38 38 VAL HG11 H 1 0.986 0.04 . 2 . . . . 38 VAL HG1 . 18319 1 417 . 1 1 38 38 VAL HG12 H 1 0.986 0.04 . 2 . . . . 38 VAL HG1 . 18319 1 418 . 1 1 38 38 VAL HG13 H 1 0.986 0.04 . 2 . . . . 38 VAL HG1 . 18319 1 419 . 1 1 38 38 VAL HG21 H 1 0.878 0.04 . 2 . . . . 38 VAL HG2 . 18319 1 420 . 1 1 38 38 VAL HG22 H 1 0.878 0.04 . 2 . . . . 38 VAL HG2 . 18319 1 421 . 1 1 38 38 VAL HG23 H 1 0.878 0.04 . 2 . . . . 38 VAL HG2 . 18319 1 422 . 1 1 38 38 VAL C C 13 176.829 0.03 . 1 . . . . 38 VAL C . 18319 1 423 . 1 1 38 38 VAL CA C 13 66.271 0.03 . 1 . . . . 38 VAL CA . 18319 1 424 . 1 1 38 38 VAL CB C 13 31.567 0.03 . 1 . . . . 38 VAL CB . 18319 1 425 . 1 1 38 38 VAL CG1 C 13 22.687 0.03 . 1 . . . . 38 VAL CG1 . 18319 1 426 . 1 1 38 38 VAL CG2 C 13 21.388 0.03 . 1 . . . . 38 VAL CG2 . 18319 1 427 . 1 1 38 38 VAL N N 15 121.898 0.45 . 1 . . . . 38 VAL N . 18319 1 428 . 1 1 39 39 ASP H H 1 8.071 0.04 . 1 . . . . 39 ASP H . 18319 1 429 . 1 1 39 39 ASP HA H 1 4.307 0.04 . 1 . . . . 39 ASP HA . 18319 1 430 . 1 1 39 39 ASP HB2 H 1 2.790 0.04 . 2 . . . . 39 ASP HB2 . 18319 1 431 . 1 1 39 39 ASP HB3 H 1 2.551 0.04 . 2 . . . . 39 ASP HB3 . 18319 1 432 . 1 1 39 39 ASP C C 13 178.940 0.03 . 1 . . . . 39 ASP C . 18319 1 433 . 1 1 39 39 ASP CA C 13 57.029 0.03 . 1 . . . . 39 ASP CA . 18319 1 434 . 1 1 39 39 ASP CB C 13 39.834 0.03 . 1 . . . . 39 ASP CB . 18319 1 435 . 1 1 39 39 ASP N N 15 119.502 0.45 . 1 . . . . 39 ASP N . 18319 1 436 . 1 1 40 40 VAL H H 1 7.727 0.04 . 1 . . . . 40 VAL H . 18319 1 437 . 1 1 40 40 VAL HA H 1 3.784 0.04 . 1 . . . . 40 VAL HA . 18319 1 438 . 1 1 40 40 VAL HB H 1 2.160 0.04 . 1 . . . . 40 VAL HB . 18319 1 439 . 1 1 40 40 VAL HG11 H 1 1.015 0.04 . 2 . . . . 40 VAL HG1 . 18319 1 440 . 1 1 40 40 VAL HG12 H 1 1.015 0.04 . 2 . . . . 40 VAL HG1 . 18319 1 441 . 1 1 40 40 VAL HG13 H 1 1.015 0.04 . 2 . . . . 40 VAL HG1 . 18319 1 442 . 1 1 40 40 VAL HG21 H 1 0.939 0.04 . 2 . . . . 40 VAL HG2 . 18319 1 443 . 1 1 40 40 VAL HG22 H 1 0.939 0.04 . 2 . . . . 40 VAL HG2 . 18319 1 444 . 1 1 40 40 VAL HG23 H 1 0.939 0.04 . 2 . . . . 40 VAL HG2 . 18319 1 445 . 1 1 40 40 VAL C C 13 177.133 0.03 . 1 . . . . 40 VAL C . 18319 1 446 . 1 1 40 40 VAL CA C 13 65.998 0.03 . 1 . . . . 40 VAL CA . 18319 1 447 . 1 1 40 40 VAL CB C 13 31.530 0.03 . 1 . . . . 40 VAL CB . 18319 1 448 . 1 1 40 40 VAL CG1 C 13 22.737 0.03 . 1 . . . . 40 VAL CG1 . 18319 1 449 . 1 1 40 40 VAL CG2 C 13 21.482 0.03 . 1 . . . . 40 VAL CG2 . 18319 1 450 . 1 1 40 40 VAL N N 15 119.928 0.45 . 1 . . . . 40 VAL N . 18319 1 451 . 1 1 41 41 MET H H 1 7.838 0.04 . 1 . . . . 41 MET H . 18319 1 452 . 1 1 41 41 MET HA H 1 4.111 0.04 . 1 . . . . 41 MET HA . 18319 1 453 . 1 1 41 41 MET HB2 H 1 2.208 0.04 . 2 . . . . 41 MET HB2 . 18319 1 454 . 1 1 41 41 MET HB3 H 1 2.053 0.04 . 2 . . . . 41 MET HB3 . 18319 1 455 . 1 1 41 41 MET HG2 H 1 2.645 0.04 . 2 . . . . 41 MET HG2 . 18319 1 456 . 1 1 41 41 MET HG3 H 1 2.442 0.04 . 2 . . . . 41 MET HG3 . 18319 1 457 . 1 1 41 41 MET HE1 H 1 1.911 0.04 . 1 . . . . 41 MET HE . 18319 1 458 . 1 1 41 41 MET HE2 H 1 1.911 0.04 . 1 . . . . 41 MET HE . 18319 1 459 . 1 1 41 41 MET HE3 H 1 1.911 0.04 . 1 . . . . 41 MET HE . 18319 1 460 . 1 1 41 41 MET C C 13 177.828 0.03 . 1 . . . . 41 MET C . 18319 1 461 . 1 1 41 41 MET CA C 13 58.791 0.03 . 1 . . . . 41 MET CA . 18319 1 462 . 1 1 41 41 MET CB C 13 31.822 0.03 . 1 . . . . 41 MET CB . 18319 1 463 . 1 1 41 41 MET CG C 13 32.553 0.03 . 1 . . . . 41 MET CG . 18319 1 464 . 1 1 41 41 MET CE C 13 17.042 0.03 . 1 . . . . 41 MET CE . 18319 1 465 . 1 1 41 41 MET N N 15 118.921 0.45 . 1 . . . . 41 MET N . 18319 1 466 . 1 1 42 42 VAL H H 1 8.374 0.04 . 1 . . . . 42 VAL H . 18319 1 467 . 1 1 42 42 VAL HA H 1 3.504 0.04 . 1 . . . . 42 VAL HA . 18319 1 468 . 1 1 42 42 VAL HB H 1 2.094 0.04 . 1 . . . . 42 VAL HB . 18319 1 469 . 1 1 42 42 VAL HG11 H 1 0.967 0.04 . 2 . . . . 42 VAL HG1 . 18319 1 470 . 1 1 42 42 VAL HG12 H 1 0.967 0.04 . 2 . . . . 42 VAL HG1 . 18319 1 471 . 1 1 42 42 VAL HG13 H 1 0.967 0.04 . 2 . . . . 42 VAL HG1 . 18319 1 472 . 1 1 42 42 VAL HG21 H 1 0.869 0.04 . 2 . . . . 42 VAL HG2 . 18319 1 473 . 1 1 42 42 VAL HG22 H 1 0.869 0.04 . 2 . . . . 42 VAL HG2 . 18319 1 474 . 1 1 42 42 VAL HG23 H 1 0.869 0.04 . 2 . . . . 42 VAL HG2 . 18319 1 475 . 1 1 42 42 VAL C C 13 178.527 0.03 . 1 . . . . 42 VAL C . 18319 1 476 . 1 1 42 42 VAL CA C 13 66.712 0.03 . 1 . . . . 42 VAL CA . 18319 1 477 . 1 1 42 42 VAL CB C 13 31.554 0.03 . 1 . . . . 42 VAL CB . 18319 1 478 . 1 1 42 42 VAL CG1 C 13 23.065 0.03 . 1 . . . . 42 VAL CG1 . 18319 1 479 . 1 1 42 42 VAL CG2 C 13 21.454 0.03 . 1 . . . . 42 VAL CG2 . 18319 1 480 . 1 1 42 42 VAL N N 15 118.029 0.45 . 1 . . . . 42 VAL N . 18319 1 481 . 1 1 43 43 PHE H H 1 7.985 0.04 . 1 . . . . 43 PHE H . 18319 1 482 . 1 1 43 43 PHE HA H 1 4.094 0.04 . 1 . . . . 43 PHE HA . 18319 1 483 . 1 1 43 43 PHE HB2 H 1 3.311 0.04 . 2 . . . . 43 PHE HB2 . 18319 1 484 . 1 1 43 43 PHE HB3 H 1 3.195 0.04 . 2 . . . . 43 PHE HB3 . 18319 1 485 . 1 1 43 43 PHE HD1 H 1 7.108 0.04 . 1 . . . . 43 PHE HD1 . 18319 1 486 . 1 1 43 43 PHE HD2 H 1 7.108 0.04 . 1 . . . . 43 PHE HD2 . 18319 1 487 . 1 1 43 43 PHE C C 13 177.557 0.03 . 1 . . . . 43 PHE C . 18319 1 488 . 1 1 43 43 PHE CA C 13 61.206 0.03 . 1 . . . . 43 PHE CA . 18319 1 489 . 1 1 43 43 PHE CB C 13 38.660 0.03 . 1 . . . . 43 PHE CB . 18319 1 490 . 1 1 43 43 PHE N N 15 122.013 0.45 . 1 . . . . 43 PHE N . 18319 1 491 . 1 1 44 44 ILE H H 1 8.235 0.04 . 1 . . . . 44 ILE H . 18319 1 492 . 1 1 44 44 ILE HA H 1 3.504 0.04 . 1 . . . . 44 ILE HA . 18319 1 493 . 1 1 44 44 ILE HB H 1 2.037 0.04 . 1 . . . . 44 ILE HB . 18319 1 494 . 1 1 44 44 ILE HG12 H 1 1.148 0.04 . 1 . . . . 44 ILE HG12 . 18319 1 495 . 1 1 44 44 ILE HG13 H 1 1.148 0.04 . 1 . . . . 44 ILE HG13 . 18319 1 496 . 1 1 44 44 ILE HG21 H 1 0.843 0.04 . 1 . . . . 44 ILE HG2 . 18319 1 497 . 1 1 44 44 ILE HG22 H 1 0.843 0.04 . 1 . . . . 44 ILE HG2 . 18319 1 498 . 1 1 44 44 ILE HG23 H 1 0.843 0.04 . 1 . . . . 44 ILE HG2 . 18319 1 499 . 1 1 44 44 ILE HD11 H 1 0.833 0.04 . 1 . . . . 44 ILE HD1 . 18319 1 500 . 1 1 44 44 ILE HD12 H 1 0.833 0.04 . 1 . . . . 44 ILE HD1 . 18319 1 501 . 1 1 44 44 ILE HD13 H 1 0.833 0.04 . 1 . . . . 44 ILE HD1 . 18319 1 502 . 1 1 44 44 ILE C C 13 177.638 0.03 . 1 . . . . 44 ILE C . 18319 1 503 . 1 1 44 44 ILE CA C 13 65.020 0.03 . 1 . . . . 44 ILE CA . 18319 1 504 . 1 1 44 44 ILE CB C 13 37.874 0.03 . 1 . . . . 44 ILE CB . 18319 1 505 . 1 1 44 44 ILE CG1 C 13 28.965 0.03 . 1 . . . . 44 ILE CG1 . 18319 1 506 . 1 1 44 44 ILE CG2 C 13 17.407 0.03 . 1 . . . . 44 ILE CG2 . 18319 1 507 . 1 1 44 44 ILE CD1 C 13 13.455 0.03 . 1 . . . . 44 ILE CD1 . 18319 1 508 . 1 1 44 44 ILE N N 15 119.899 0.45 . 1 . . . . 44 ILE N . 18319 1 509 . 1 1 45 45 VAL H H 1 8.093 0.04 . 1 . . . . 45 VAL H . 18319 1 510 . 1 1 45 45 VAL HA H 1 3.816 0.04 . 1 . . . . 45 VAL HA . 18319 1 511 . 1 1 45 45 VAL HB H 1 2.160 0.04 . 1 . . . . 45 VAL HB . 18319 1 512 . 1 1 45 45 VAL HG11 H 1 1.024 0.04 . 2 . . . . 45 VAL HG1 . 18319 1 513 . 1 1 45 45 VAL HG12 H 1 1.024 0.04 . 2 . . . . 45 VAL HG1 . 18319 1 514 . 1 1 45 45 VAL HG13 H 1 1.024 0.04 . 2 . . . . 45 VAL HG1 . 18319 1 515 . 1 1 45 45 VAL HG21 H 1 0.933 0.04 . 2 . . . . 45 VAL HG2 . 18319 1 516 . 1 1 45 45 VAL HG22 H 1 0.933 0.04 . 2 . . . . 45 VAL HG2 . 18319 1 517 . 1 1 45 45 VAL HG23 H 1 0.933 0.04 . 2 . . . . 45 VAL HG2 . 18319 1 518 . 1 1 45 45 VAL C C 13 176.856 0.03 . 1 . . . . 45 VAL C . 18319 1 519 . 1 1 45 45 VAL CA C 13 65.436 0.03 . 1 . . . . 45 VAL CA . 18319 1 520 . 1 1 45 45 VAL CB C 13 31.615 0.03 . 1 . . . . 45 VAL CB . 18319 1 521 . 1 1 45 45 VAL CG1 C 13 21.982 0.03 . 1 . . . . 45 VAL CG1 . 18319 1 522 . 1 1 45 45 VAL CG2 C 13 21.761 0.03 . 1 . . . . 45 VAL CG2 . 18319 1 523 . 1 1 45 45 VAL N N 15 115.083 0.45 . 1 . . . . 45 VAL N . 18319 1 524 . 1 1 46 46 THR H H 1 7.756 0.04 . 1 . . . . 46 THR H . 18319 1 525 . 1 1 46 46 THR HA H 1 4.206 0.04 . 1 . . . . 46 THR HA . 18319 1 526 . 1 1 46 46 THR HB H 1 4.497 0.04 . 1 . . . . 46 THR HB . 18319 1 527 . 1 1 46 46 THR HG21 H 1 1.172 0.04 . 1 . . . . 46 THR HG2 . 18319 1 528 . 1 1 46 46 THR HG22 H 1 1.172 0.04 . 1 . . . . 46 THR HG2 . 18319 1 529 . 1 1 46 46 THR HG23 H 1 1.172 0.04 . 1 . . . . 46 THR HG2 . 18319 1 530 . 1 1 46 46 THR C C 13 175.815 0.03 . 1 . . . . 46 THR C . 18319 1 531 . 1 1 46 46 THR CA C 13 63.364 0.03 . 1 . . . . 46 THR CA . 18319 1 532 . 1 1 46 46 THR CB C 13 69.657 0.03 . 1 . . . . 46 THR CB . 18319 1 533 . 1 1 46 46 THR CG2 C 13 21.707 0.03 . 1 . . . . 46 THR CG2 . 18319 1 534 . 1 1 46 46 THR N N 15 108.235 0.45 . 1 . . . . 46 THR N . 18319 1 535 . 1 1 47 47 SER H H 1 7.517 0.04 . 1 . . . . 47 SER H . 18319 1 536 . 1 1 47 47 SER HA H 1 4.106 0.04 . 1 . . . . 47 SER HA . 18319 1 537 . 1 1 47 47 SER HB2 H 1 3.265 0.04 . 2 . . . . 47 SER HB2 . 18319 1 538 . 1 1 47 47 SER HB3 H 1 3.178 0.04 . 2 . . . . 47 SER HB3 . 18319 1 539 . 1 1 47 47 SER C C 13 173.660 0.03 . 1 . . . . 47 SER C . 18319 1 540 . 1 1 47 47 SER CA C 13 60.504 0.03 . 1 . . . . 47 SER CA . 18319 1 541 . 1 1 47 47 SER CB C 13 63.438 0.03 . 1 . . . . 47 SER CB . 18319 1 542 . 1 1 47 47 SER N N 15 116.512 0.45 . 1 . . . . 47 SER N . 18319 1 543 . 1 1 48 48 TYR H H 1 7.537 0.04 . 1 . . . . 48 TYR H . 18319 1 544 . 1 1 48 48 TYR HA H 1 4.312 0.04 . 1 . . . . 48 TYR HA . 18319 1 545 . 1 1 48 48 TYR HB2 H 1 2.606 0.04 . 1 . . . . 48 TYR HB2 . 18319 1 546 . 1 1 48 48 TYR HB3 H 1 2.606 0.04 . 1 . . . . 48 TYR HB3 . 18319 1 547 . 1 1 48 48 TYR HD1 H 1 7.018 0.04 . 1 . . . . 48 TYR HD1 . 18319 1 548 . 1 1 48 48 TYR HD2 H 1 7.018 0.04 . 1 . . . . 48 TYR HD2 . 18319 1 549 . 1 1 48 48 TYR HE1 H 1 6.800 0.04 . 1 . . . . 48 TYR HE1 . 18319 1 550 . 1 1 48 48 TYR HE2 H 1 6.800 0.04 . 1 . . . . 48 TYR HE2 . 18319 1 551 . 1 1 48 48 TYR C C 13 174.547 0.03 . 1 . . . . 48 TYR C . 18319 1 552 . 1 1 48 48 TYR CA C 13 57.276 0.03 . 1 . . . . 48 TYR CA . 18319 1 553 . 1 1 48 48 TYR CB C 13 40.137 0.03 . 1 . . . . 48 TYR CB . 18319 1 554 . 1 1 48 48 TYR N N 15 120.061 0.45 . 1 . . . . 48 TYR N . 18319 1 555 . 1 1 49 49 SER H H 1 7.984 0.04 . 1 . . . . 49 SER H . 18319 1 556 . 1 1 49 49 SER HA H 1 4.523 0.04 . 1 . . . . 49 SER HA . 18319 1 557 . 1 1 49 49 SER HB2 H 1 3.890 0.04 . 1 . . . . 49 SER HB2 . 18319 1 558 . 1 1 49 49 SER HB3 H 1 3.890 0.04 . 1 . . . . 49 SER HB3 . 18319 1 559 . 1 1 49 49 SER C C 13 175.532 0.03 . 1 . . . . 49 SER C . 18319 1 560 . 1 1 49 49 SER CA C 13 57.731 0.03 . 1 . . . . 49 SER CA . 18319 1 561 . 1 1 49 49 SER CB C 13 64.551 0.03 . 1 . . . . 49 SER CB . 18319 1 562 . 1 1 49 49 SER N N 15 114.708 0.45 . 1 . . . . 49 SER N . 18319 1 563 . 1 1 50 50 ILE H H 1 8.640 0.04 . 1 . . . . 50 ILE H . 18319 1 564 . 1 1 50 50 ILE HA H 1 3.795 0.04 . 1 . . . . 50 ILE HA . 18319 1 565 . 1 1 50 50 ILE HB H 1 1.890 0.04 . 1 . . . . 50 ILE HB . 18319 1 566 . 1 1 50 50 ILE HG12 H 1 1.521 0.04 . 2 . . . . 50 ILE HG12 . 18319 1 567 . 1 1 50 50 ILE HG13 H 1 1.229 0.04 . 2 . . . . 50 ILE HG13 . 18319 1 568 . 1 1 50 50 ILE HG21 H 1 0.868 0.04 . 1 . . . . 50 ILE HG2 . 18319 1 569 . 1 1 50 50 ILE HG22 H 1 0.868 0.04 . 1 . . . . 50 ILE HG2 . 18319 1 570 . 1 1 50 50 ILE HG23 H 1 0.868 0.04 . 1 . . . . 50 ILE HG2 . 18319 1 571 . 1 1 50 50 ILE HD11 H 1 0.818 0.04 . 1 . . . . 50 ILE HD1 . 18319 1 572 . 1 1 50 50 ILE HD12 H 1 0.818 0.04 . 1 . . . . 50 ILE HD1 . 18319 1 573 . 1 1 50 50 ILE HD13 H 1 0.818 0.04 . 1 . . . . 50 ILE HD1 . 18319 1 574 . 1 1 50 50 ILE C C 13 176.940 0.03 . 1 . . . . 50 ILE C . 18319 1 575 . 1 1 50 50 ILE CA C 13 63.609 0.03 . 1 . . . . 50 ILE CA . 18319 1 576 . 1 1 50 50 ILE CB C 13 37.586 0.03 . 1 . . . . 50 ILE CB . 18319 1 577 . 1 1 50 50 ILE CG1 C 13 28.848 0.03 . 1 . . . . 50 ILE CG1 . 18319 1 578 . 1 1 50 50 ILE CG2 C 13 17.944 0.03 . 1 . . . . 50 ILE CG2 . 18319 1 579 . 1 1 50 50 ILE CD1 C 13 12.904 0.03 . 1 . . . . 50 ILE CD1 . 18319 1 580 . 1 1 50 50 ILE N N 15 123.360 0.45 . 1 . . . . 50 ILE N . 18319 1 581 . 1 1 51 51 GLU H H 1 8.545 0.04 . 1 . . . . 51 GLU H . 18319 1 582 . 1 1 51 51 GLU HA H 1 3.878 0.04 . 1 . . . . 51 GLU HA . 18319 1 583 . 1 1 51 51 GLU HB2 H 1 1.918 0.04 . 2 . . . . 51 GLU HB2 . 18319 1 584 . 1 1 51 51 GLU HB3 H 1 1.983 0.04 . 2 . . . . 51 GLU HB3 . 18319 1 585 . 1 1 51 51 GLU HG2 H 1 2.258 0.04 . 1 . . . . 51 GLU HG2 . 18319 1 586 . 1 1 51 51 GLU HG3 H 1 2.258 0.04 . 1 . . . . 51 GLU HG3 . 18319 1 587 . 1 1 51 51 GLU C C 13 179.185 0.03 . 1 . . . . 51 GLU C . 18319 1 588 . 1 1 51 51 GLU CA C 13 59.902 0.03 . 1 . . . . 51 GLU CA . 18319 1 589 . 1 1 51 51 GLU CB C 13 28.750 0.03 . 1 . . . . 51 GLU CB . 18319 1 590 . 1 1 51 51 GLU CG C 13 35.756 0.03 . 1 . . . . 51 GLU CG . 18319 1 591 . 1 1 51 51 GLU N N 15 119.726 0.45 . 1 . . . . 51 GLU N . 18319 1 592 . 1 1 52 52 THR H H 1 7.743 0.04 . 1 . . . . 52 THR H . 18319 1 593 . 1 1 52 52 THR HA H 1 3.920 0.04 . 1 . . . . 52 THR HA . 18319 1 594 . 1 1 52 52 THR HB H 1 4.198 0.04 . 1 . . . . 52 THR HB . 18319 1 595 . 1 1 52 52 THR HG21 H 1 1.153 0.04 . 1 . . . . 52 THR HG2 . 18319 1 596 . 1 1 52 52 THR HG22 H 1 1.153 0.04 . 1 . . . . 52 THR HG2 . 18319 1 597 . 1 1 52 52 THR HG23 H 1 1.153 0.04 . 1 . . . . 52 THR HG2 . 18319 1 598 . 1 1 52 52 THR C C 13 176.220 0.03 . 1 . . . . 52 THR C . 18319 1 599 . 1 1 52 52 THR CA C 13 65.885 0.03 . 1 . . . . 52 THR CA . 18319 1 600 . 1 1 52 52 THR CB C 13 68.588 0.03 . 1 . . . . 52 THR CB . 18319 1 601 . 1 1 52 52 THR CG2 C 13 21.931 0.03 . 1 . . . . 52 THR CG2 . 18319 1 602 . 1 1 52 52 THR N N 15 116.680 0.45 . 1 . . . . 52 THR N . 18319 1 603 . 1 1 53 53 VAL H H 1 7.681 0.04 . 1 . . . . 53 VAL H . 18319 1 604 . 1 1 53 53 VAL HA H 1 3.471 0.04 . 1 . . . . 53 VAL HA . 18319 1 605 . 1 1 53 53 VAL HB H 1 2.188 0.04 . 1 . . . . 53 VAL HB . 18319 1 606 . 1 1 53 53 VAL HG11 H 1 0.964 0.04 . 2 . . . . 53 VAL HG1 . 18319 1 607 . 1 1 53 53 VAL HG12 H 1 0.964 0.04 . 2 . . . . 53 VAL HG1 . 18319 1 608 . 1 1 53 53 VAL HG13 H 1 0.964 0.04 . 2 . . . . 53 VAL HG1 . 18319 1 609 . 1 1 53 53 VAL HG21 H 1 0.827 0.04 . 2 . . . . 53 VAL HG2 . 18319 1 610 . 1 1 53 53 VAL HG22 H 1 0.827 0.04 . 2 . . . . 53 VAL HG2 . 18319 1 611 . 1 1 53 53 VAL HG23 H 1 0.827 0.04 . 2 . . . . 53 VAL HG2 . 18319 1 612 . 1 1 53 53 VAL C C 13 177.119 0.03 . 1 . . . . 53 VAL C . 18319 1 613 . 1 1 53 53 VAL CA C 13 66.823 0.03 . 1 . . . . 53 VAL CA . 18319 1 614 . 1 1 53 53 VAL CB C 13 31.492 0.03 . 1 . . . . 53 VAL CB . 18319 1 615 . 1 1 53 53 VAL CG1 C 13 22.715 0.03 . 1 . . . . 53 VAL CG1 . 18319 1 616 . 1 1 53 53 VAL CG2 C 13 21.269 0.03 . 1 . . . . 53 VAL CG2 . 18319 1 617 . 1 1 53 53 VAL N N 15 120.878 0.45 . 1 . . . . 53 VAL N . 18319 1 618 . 1 1 54 54 VAL H H 1 8.350 0.04 . 1 . . . . 54 VAL H . 18319 1 619 . 1 1 54 54 VAL HA H 1 3.493 0.04 . 1 . . . . 54 VAL HA . 18319 1 620 . 1 1 54 54 VAL HB H 1 2.057 0.04 . 1 . . . . 54 VAL HB . 18319 1 621 . 1 1 54 54 VAL HG11 H 1 0.969 0.04 . 2 . . . . 54 VAL HG1 . 18319 1 622 . 1 1 54 54 VAL HG12 H 1 0.969 0.04 . 2 . . . . 54 VAL HG1 . 18319 1 623 . 1 1 54 54 VAL HG13 H 1 0.969 0.04 . 2 . . . . 54 VAL HG1 . 18319 1 624 . 1 1 54 54 VAL HG21 H 1 0.851 0.04 . 2 . . . . 54 VAL HG2 . 18319 1 625 . 1 1 54 54 VAL HG22 H 1 0.851 0.04 . 2 . . . . 54 VAL HG2 . 18319 1 626 . 1 1 54 54 VAL HG23 H 1 0.851 0.04 . 2 . . . . 54 VAL HG2 . 18319 1 627 . 1 1 54 54 VAL C C 13 178.266 0.03 . 1 . . . . 54 VAL C . 18319 1 628 . 1 1 54 54 VAL CA C 13 66.782 0.03 . 1 . . . . 54 VAL CA . 18319 1 629 . 1 1 54 54 VAL CB C 13 31.302 0.03 . 1 . . . . 54 VAL CB . 18319 1 630 . 1 1 54 54 VAL CG1 C 13 23.018 0.03 . 1 . . . . 54 VAL CG1 . 18319 1 631 . 1 1 54 54 VAL CG2 C 13 21.351 0.03 . 1 . . . . 54 VAL CG2 . 18319 1 632 . 1 1 54 54 VAL N N 15 118.070 0.45 . 1 . . . . 54 VAL N . 18319 1 633 . 1 1 55 55 GLY H H 1 7.865 0.04 . 1 . . . . 55 GLY H . 18319 1 634 . 1 1 55 55 GLY HA2 H 1 3.898 0.04 . 2 . . . . 55 GLY HA2 . 18319 1 635 . 1 1 55 55 GLY HA3 H 1 3.825 0.04 . 2 . . . . 55 GLY HA3 . 18319 1 636 . 1 1 55 55 GLY C C 13 176.326 0.03 . 1 . . . . 55 GLY C . 18319 1 637 . 1 1 55 55 GLY CA C 13 47.150 0.03 . 1 . . . . 55 GLY CA . 18319 1 638 . 1 1 55 55 GLY N N 15 107.736 0.45 . 1 . . . . 55 GLY N . 18319 1 639 . 1 1 56 56 VAL H H 1 7.841 0.04 . 1 . . . . 56 VAL H . 18319 1 640 . 1 1 56 56 VAL HA H 1 3.788 0.04 . 1 . . . . 56 VAL HA . 18319 1 641 . 1 1 56 56 VAL HB H 1 2.143 0.04 . 1 . . . . 56 VAL HB . 18319 1 642 . 1 1 56 56 VAL HG11 H 1 0.992 0.04 . 2 . . . . 56 VAL HG1 . 18319 1 643 . 1 1 56 56 VAL HG12 H 1 0.992 0.04 . 2 . . . . 56 VAL HG1 . 18319 1 644 . 1 1 56 56 VAL HG13 H 1 0.992 0.04 . 2 . . . . 56 VAL HG1 . 18319 1 645 . 1 1 56 56 VAL HG21 H 1 0.876 0.04 . 2 . . . . 56 VAL HG2 . 18319 1 646 . 1 1 56 56 VAL HG22 H 1 0.876 0.04 . 2 . . . . 56 VAL HG2 . 18319 1 647 . 1 1 56 56 VAL HG23 H 1 0.876 0.04 . 2 . . . . 56 VAL HG2 . 18319 1 648 . 1 1 56 56 VAL C C 13 178.171 0.03 . 1 . . . . 56 VAL C . 18319 1 649 . 1 1 56 56 VAL CA C 13 66.098 0.03 . 1 . . . . 56 VAL CA . 18319 1 650 . 1 1 56 56 VAL CB C 13 31.155 0.03 . 1 . . . . 56 VAL CB . 18319 1 651 . 1 1 56 56 VAL CG1 C 13 22.243 0.03 . 1 . . . . 56 VAL CG1 . 18319 1 652 . 1 1 56 56 VAL CG2 C 13 21.341 0.03 . 1 . . . . 56 VAL CG2 . 18319 1 653 . 1 1 56 56 VAL N N 15 121.858 0.45 . 1 . . . . 56 VAL N . 18319 1 654 . 1 1 57 57 LEU H H 1 8.173 0.04 . 1 . . . . 57 LEU H . 18319 1 655 . 1 1 57 57 LEU HA H 1 4.110 0.04 . 1 . . . . 57 LEU HA . 18319 1 656 . 1 1 57 57 LEU HB2 H 1 1.437 0.04 . 1 . . . . 57 LEU HB2 . 18319 1 657 . 1 1 57 57 LEU HB3 H 1 1.437 0.04 . 1 . . . . 57 LEU HB3 . 18319 1 658 . 1 1 57 57 LEU HG H 1 1.584 0.04 . 1 . . . . 57 LEU HG . 18319 1 659 . 1 1 57 57 LEU HD11 H 1 0.777 0.04 . 2 . . . . 57 LEU HD1 . 18319 1 660 . 1 1 57 57 LEU HD12 H 1 0.777 0.04 . 2 . . . . 57 LEU HD1 . 18319 1 661 . 1 1 57 57 LEU HD13 H 1 0.777 0.04 . 2 . . . . 57 LEU HD1 . 18319 1 662 . 1 1 57 57 LEU HD21 H 1 0.761 0.04 . 2 . . . . 57 LEU HD2 . 18319 1 663 . 1 1 57 57 LEU HD22 H 1 0.761 0.04 . 2 . . . . 57 LEU HD2 . 18319 1 664 . 1 1 57 57 LEU HD23 H 1 0.761 0.04 . 2 . . . . 57 LEU HD2 . 18319 1 665 . 1 1 57 57 LEU C C 13 179.287 0.03 . 1 . . . . 57 LEU C . 18319 1 666 . 1 1 57 57 LEU CA C 13 57.858 0.03 . 1 . . . . 57 LEU CA . 18319 1 667 . 1 1 57 57 LEU CB C 13 41.046 0.03 . 1 . . . . 57 LEU CB . 18319 1 668 . 1 1 57 57 LEU CG C 13 26.957 0.03 . 1 . . . . 57 LEU CG . 18319 1 669 . 1 1 57 57 LEU CD1 C 13 25.194 0.03 . 1 . . . . 57 LEU CD1 . 18319 1 670 . 1 1 57 57 LEU CD2 C 13 23.718 0.03 . 1 . . . . 57 LEU CD2 . 18319 1 671 . 1 1 57 57 LEU N N 15 119.239 0.45 . 1 . . . . 57 LEU N . 18319 1 672 . 1 1 58 58 GLY H H 1 8.628 0.04 . 1 . . . . 58 GLY H . 18319 1 673 . 1 1 58 58 GLY HA2 H 1 3.955 0.04 . 2 . . . . 58 GLY HA2 . 18319 1 674 . 1 1 58 58 GLY HA3 H 1 3.619 0.04 . 2 . . . . 58 GLY HA3 . 18319 1 675 . 1 1 58 58 GLY C C 13 175.710 0.03 . 1 . . . . 58 GLY C . 18319 1 676 . 1 1 58 58 GLY CA C 13 47.667 0.03 . 1 . . . . 58 GLY CA . 18319 1 677 . 1 1 58 58 GLY N N 15 106.733 0.45 . 1 . . . . 58 GLY N . 18319 1 678 . 1 1 59 59 ASN H H 1 7.768 0.04 . 1 . . . . 59 ASN H . 18319 1 679 . 1 1 59 59 ASN HA H 1 4.453 0.04 . 1 . . . . 59 ASN HA . 18319 1 680 . 1 1 59 59 ASN HB2 H 1 2.709 0.04 . 2 . . . . 59 ASN HB2 . 18319 1 681 . 1 1 59 59 ASN HB3 H 1 2.904 0.04 . 2 . . . . 59 ASN HB3 . 18319 1 682 . 1 1 59 59 ASN HD21 H 1 7.385 0.04 . 2 . . . . 59 ASN HD21 . 18319 1 683 . 1 1 59 59 ASN HD22 H 1 6.781 0.04 . 2 . . . . 59 ASN HD22 . 18319 1 684 . 1 1 59 59 ASN C C 13 177.852 0.03 . 1 . . . . 59 ASN C . 18319 1 685 . 1 1 59 59 ASN CA C 13 56.012 0.03 . 1 . . . . 59 ASN CA . 18319 1 686 . 1 1 59 59 ASN CB C 13 38.606 0.03 . 1 . . . . 59 ASN CB . 18319 1 687 . 1 1 59 59 ASN N N 15 120.145 0.45 . 1 . . . . 59 ASN N . 18319 1 688 . 1 1 59 59 ASN ND2 N 15 111.897 0.45 . 1 . . . . 59 ASN ND2 . 18319 1 689 . 1 1 60 60 LEU H H 1 8.224 0.04 . 1 . . . . 60 LEU H . 18319 1 690 . 1 1 60 60 LEU HA H 1 4.091 0.04 . 1 . . . . 60 LEU HA . 18319 1 691 . 1 1 60 60 LEU HB2 H 1 1.874 0.04 . 2 . . . . 60 LEU HB2 . 18319 1 692 . 1 1 60 60 LEU HB3 H 1 1.611 0.04 . 2 . . . . 60 LEU HB3 . 18319 1 693 . 1 1 60 60 LEU HG H 1 1.801 0.04 . 1 . . . . 60 LEU HG . 18319 1 694 . 1 1 60 60 LEU HD11 H 1 0.809 0.04 . 2 . . . . 60 LEU HD1 . 18319 1 695 . 1 1 60 60 LEU HD12 H 1 0.809 0.04 . 2 . . . . 60 LEU HD1 . 18319 1 696 . 1 1 60 60 LEU HD13 H 1 0.809 0.04 . 2 . . . . 60 LEU HD1 . 18319 1 697 . 1 1 60 60 LEU HD21 H 1 0.800 0.04 . 2 . . . . 60 LEU HD2 . 18319 1 698 . 1 1 60 60 LEU HD22 H 1 0.800 0.04 . 2 . . . . 60 LEU HD2 . 18319 1 699 . 1 1 60 60 LEU HD23 H 1 0.800 0.04 . 2 . . . . 60 LEU HD2 . 18319 1 700 . 1 1 60 60 LEU C C 13 178.842 0.03 . 1 . . . . 60 LEU C . 18319 1 701 . 1 1 60 60 LEU CA C 13 58.191 0.03 . 1 . . . . 60 LEU CA . 18319 1 702 . 1 1 60 60 LEU CB C 13 41.725 0.03 . 1 . . . . 60 LEU CB . 18319 1 703 . 1 1 60 60 LEU CG C 13 26.925 0.03 . 1 . . . . 60 LEU CG . 18319 1 704 . 1 1 60 60 LEU CD1 C 13 25.248 0.03 . 1 . . . . 60 LEU CD1 . 18319 1 705 . 1 1 60 60 LEU CD2 C 13 23.940 0.03 . 1 . . . . 60 LEU CD2 . 18319 1 706 . 1 1 60 60 LEU N N 15 120.940 0.45 . 1 . . . . 60 LEU N . 18319 1 707 . 1 1 61 61 CYS H H 1 8.243 0.04 . 1 . . . . 61 CYS H . 18319 1 708 . 1 1 61 61 CYS HA H 1 3.951 0.04 . 1 . . . . 61 CYS HA . 18319 1 709 . 1 1 61 61 CYS HB2 H 1 3.084 0.04 . 2 . . . . 61 CYS HB2 . 18319 1 710 . 1 1 61 61 CYS HB3 H 1 2.767 0.04 . 2 . . . . 61 CYS HB3 . 18319 1 711 . 1 1 61 61 CYS C C 13 176.421 0.03 . 1 . . . . 61 CYS C . 18319 1 712 . 1 1 61 61 CYS CA C 13 64.098 0.03 . 1 . . . . 61 CYS CA . 18319 1 713 . 1 1 61 61 CYS CB C 13 26.624 0.03 . 1 . . . . 61 CYS CB . 18319 1 714 . 1 1 61 61 CYS N N 15 117.581 0.45 . 1 . . . . 61 CYS N . 18319 1 715 . 1 1 62 62 LEU H H 1 7.798 0.04 . 1 . . . . 62 LEU H . 18319 1 716 . 1 1 62 62 LEU HA H 1 4.017 0.04 . 1 . . . . 62 LEU HA . 18319 1 717 . 1 1 62 62 LEU HB2 H 1 1.766 0.04 . 1 . . . . 62 LEU HB2 . 18319 1 718 . 1 1 62 62 LEU HB3 H 1 1.766 0.04 . 1 . . . . 62 LEU HB3 . 18319 1 719 . 1 1 62 62 LEU HG H 1 1.664 0.04 . 1 . . . . 62 LEU HG . 18319 1 720 . 1 1 62 62 LEU HD11 H 1 0.843 0.04 . 2 . . . . 62 LEU HD1 . 18319 1 721 . 1 1 62 62 LEU HD12 H 1 0.843 0.04 . 2 . . . . 62 LEU HD1 . 18319 1 722 . 1 1 62 62 LEU HD13 H 1 0.843 0.04 . 2 . . . . 62 LEU HD1 . 18319 1 723 . 1 1 62 62 LEU HD21 H 1 0.805 0.04 . 2 . . . . 62 LEU HD2 . 18319 1 724 . 1 1 62 62 LEU HD22 H 1 0.805 0.04 . 2 . . . . 62 LEU HD2 . 18319 1 725 . 1 1 62 62 LEU HD23 H 1 0.805 0.04 . 2 . . . . 62 LEU HD2 . 18319 1 726 . 1 1 62 62 LEU C C 13 179.732 0.03 . 1 . . . . 62 LEU C . 18319 1 727 . 1 1 62 62 LEU CA C 13 57.723 0.03 . 1 . . . . 62 LEU CA . 18319 1 728 . 1 1 62 62 LEU CB C 13 41.432 0.03 . 1 . . . . 62 LEU CB . 18319 1 729 . 1 1 62 62 LEU CG C 13 27.026 0.03 . 1 . . . . 62 LEU CG . 18319 1 730 . 1 1 62 62 LEU CD1 C 13 24.399 0.03 . 1 . . . . 62 LEU CD1 . 18319 1 731 . 1 1 62 62 LEU CD2 C 13 23.802 0.03 . 1 . . . . 62 LEU CD2 . 18319 1 732 . 1 1 62 62 LEU N N 15 118.773 0.45 . 1 . . . . 62 LEU N . 18319 1 733 . 1 1 63 63 MET H H 1 8.032 0.04 . 1 . . . . 63 MET H . 18319 1 734 . 1 1 63 63 MET HA H 1 4.111 0.04 . 1 . . . . 63 MET HA . 18319 1 735 . 1 1 63 63 MET HB2 H 1 2.251 0.04 . 2 . . . . 63 MET HB2 . 18319 1 736 . 1 1 63 63 MET HB3 H 1 2.112 0.04 . 2 . . . . 63 MET HB3 . 18319 1 737 . 1 1 63 63 MET HG2 H 1 2.663 0.04 . 2 . . . . 63 MET HG2 . 18319 1 738 . 1 1 63 63 MET HG3 H 1 2.474 0.04 . 2 . . . . 63 MET HG3 . 18319 1 739 . 1 1 63 63 MET HE1 H 1 1.970 0.04 . 1 . . . . 63 MET HE . 18319 1 740 . 1 1 63 63 MET HE2 H 1 1.970 0.04 . 1 . . . . 63 MET HE . 18319 1 741 . 1 1 63 63 MET HE3 H 1 1.970 0.04 . 1 . . . . 63 MET HE . 18319 1 742 . 1 1 63 63 MET C C 13 177.828 0.03 . 1 . . . . 63 MET C . 18319 1 743 . 1 1 63 63 MET CA C 13 58.746 0.03 . 1 . . . . 63 MET CA . 18319 1 744 . 1 1 63 63 MET CB C 13 32.149 0.03 . 1 . . . . 63 MET CB . 18319 1 745 . 1 1 63 63 MET CG C 13 32.270 0.03 . 1 . . . . 63 MET CG . 18319 1 746 . 1 1 63 63 MET CE C 13 17.230 0.03 . 1 . . . . 63 MET CE . 18319 1 747 . 1 1 63 63 MET N N 15 119.498 0.45 . 1 . . . . 63 MET N . 18319 1 748 . 1 1 64 64 CYS H H 1 7.877 0.04 . 1 . . . . 64 CYS H . 18319 1 749 . 1 1 64 64 CYS HA H 1 4.027 0.04 . 1 . . . . 64 CYS HA . 18319 1 750 . 1 1 64 64 CYS HB2 H 1 3.093 0.04 . 2 . . . . 64 CYS HB2 . 18319 1 751 . 1 1 64 64 CYS HB3 H 1 2.688 0.04 . 2 . . . . 64 CYS HB3 . 18319 1 752 . 1 1 64 64 CYS C C 13 175.883 0.03 . 1 . . . . 64 CYS C . 18319 1 753 . 1 1 64 64 CYS CA C 13 63.299 0.03 . 1 . . . . 64 CYS CA . 18319 1 754 . 1 1 64 64 CYS CB C 13 27.134 0.03 . 1 . . . . 64 CYS CB . 18319 1 755 . 1 1 64 64 CYS N N 15 116.494 0.45 . 1 . . . . 64 CYS N . 18319 1 756 . 1 1 65 65 VAL H H 1 7.782 0.04 . 1 . . . . 65 VAL H . 18319 1 757 . 1 1 65 65 VAL HA H 1 3.707 0.04 . 1 . . . . 65 VAL HA . 18319 1 758 . 1 1 65 65 VAL HB H 1 2.195 0.04 . 1 . . . . 65 VAL HB . 18319 1 759 . 1 1 65 65 VAL HG11 H 1 1.002 0.04 . 2 . . . . 65 VAL HG1 . 18319 1 760 . 1 1 65 65 VAL HG12 H 1 1.002 0.04 . 2 . . . . 65 VAL HG1 . 18319 1 761 . 1 1 65 65 VAL HG13 H 1 1.002 0.04 . 2 . . . . 65 VAL HG1 . 18319 1 762 . 1 1 65 65 VAL HG21 H 1 0.891 0.04 . 2 . . . . 65 VAL HG2 . 18319 1 763 . 1 1 65 65 VAL HG22 H 1 0.891 0.04 . 2 . . . . 65 VAL HG2 . 18319 1 764 . 1 1 65 65 VAL HG23 H 1 0.891 0.04 . 2 . . . . 65 VAL HG2 . 18319 1 765 . 1 1 65 65 VAL C C 13 177.477 0.03 . 1 . . . . 65 VAL C . 18319 1 766 . 1 1 65 65 VAL CA C 13 65.564 0.03 . 1 . . . . 65 VAL CA . 18319 1 767 . 1 1 65 65 VAL CB C 13 31.801 0.03 . 1 . . . . 65 VAL CB . 18319 1 768 . 1 1 65 65 VAL CG1 C 13 22.161 0.03 . 1 . . . . 65 VAL CG1 . 18319 1 769 . 1 1 65 65 VAL CG2 C 13 21.432 0.03 . 1 . . . . 65 VAL CG2 . 18319 1 770 . 1 1 65 65 VAL N N 15 116.650 0.45 . 1 . . . . 65 VAL N . 18319 1 771 . 1 1 66 66 THR H H 1 7.812 0.04 . 1 . . . . 66 THR H . 18319 1 772 . 1 1 66 66 THR HA H 1 4.015 0.04 . 1 . . . . 66 THR HA . 18319 1 773 . 1 1 66 66 THR HB H 1 4.249 0.04 . 1 . . . . 66 THR HB . 18319 1 774 . 1 1 66 66 THR HG21 H 1 1.176 0.04 . 1 . . . . 66 THR HG2 . 18319 1 775 . 1 1 66 66 THR HG22 H 1 1.176 0.04 . 1 . . . . 66 THR HG2 . 18319 1 776 . 1 1 66 66 THR HG23 H 1 1.176 0.04 . 1 . . . . 66 THR HG2 . 18319 1 777 . 1 1 66 66 THR C C 13 176.237 0.03 . 1 . . . . 66 THR C . 18319 1 778 . 1 1 66 66 THR CA C 13 65.476 0.03 . 1 . . . . 66 THR CA . 18319 1 779 . 1 1 66 66 THR CB C 13 68.791 0.03 . 1 . . . . 66 THR CB . 18319 1 780 . 1 1 66 66 THR CG2 C 13 21.696 0.03 . 1 . . . . 66 THR CG2 . 18319 1 781 . 1 1 66 66 THR N N 15 114.669 0.45 . 1 . . . . 66 THR N . 18319 1 782 . 1 1 67 67 VAL H H 1 7.845 0.04 . 1 . . . . 67 VAL H . 18319 1 783 . 1 1 67 67 VAL HA H 1 3.778 0.04 . 1 . . . . 67 VAL HA . 18319 1 784 . 1 1 67 67 VAL HB H 1 2.122 0.04 . 1 . . . . 67 VAL HB . 18319 1 785 . 1 1 67 67 VAL HG11 H 1 0.963 0.04 . 2 . . . . 67 VAL HG1 . 18319 1 786 . 1 1 67 67 VAL HG12 H 1 0.963 0.04 . 2 . . . . 67 VAL HG1 . 18319 1 787 . 1 1 67 67 VAL HG13 H 1 0.963 0.04 . 2 . . . . 67 VAL HG1 . 18319 1 788 . 1 1 67 67 VAL HG21 H 1 0.879 0.04 . 2 . . . . 67 VAL HG2 . 18319 1 789 . 1 1 67 67 VAL HG22 H 1 0.879 0.04 . 2 . . . . 67 VAL HG2 . 18319 1 790 . 1 1 67 67 VAL HG23 H 1 0.879 0.04 . 2 . . . . 67 VAL HG2 . 18319 1 791 . 1 1 67 67 VAL C C 13 176.854 0.03 . 1 . . . . 67 VAL C . 18319 1 792 . 1 1 67 67 VAL CA C 13 65.167 0.03 . 1 . . . . 67 VAL CA . 18319 1 793 . 1 1 67 67 VAL CB C 13 31.575 0.03 . 1 . . . . 67 VAL CB . 18319 1 794 . 1 1 67 67 VAL CG1 C 13 22.946 0.03 . 1 . . . . 67 VAL CG1 . 18319 1 795 . 1 1 67 67 VAL CG2 C 13 21.416 0.03 . 1 . . . . 67 VAL CG2 . 18319 1 796 . 1 1 67 67 VAL N N 15 120.172 0.45 . 1 . . . . 67 VAL N . 18319 1 797 . 1 1 68 68 ARG H H 1 7.833 0.04 . 1 . . . . 68 ARG H . 18319 1 798 . 1 1 68 68 ARG HA H 1 4.010 0.04 . 1 . . . . 68 ARG HA . 18319 1 799 . 1 1 68 68 ARG HB2 H 1 1.587 0.04 . 2 . . . . 68 ARG HB2 . 18319 1 800 . 1 1 68 68 ARG HB3 H 1 1.517 0.04 . 2 . . . . 68 ARG HB3 . 18319 1 801 . 1 1 68 68 ARG HG2 H 1 1.360 0.04 . 1 . . . . 68 ARG HG2 . 18319 1 802 . 1 1 68 68 ARG HG3 H 1 1.360 0.04 . 1 . . . . 68 ARG HG3 . 18319 1 803 . 1 1 68 68 ARG HD2 H 1 2.886 0.04 . 1 . . . . 68 ARG HD2 . 18319 1 804 . 1 1 68 68 ARG HD3 H 1 2.886 0.04 . 1 . . . . 68 ARG HD3 . 18319 1 805 . 1 1 68 68 ARG HE H 1 7.150 0.04 . 1 . . . . 68 ARG HE . 18319 1 806 . 1 1 68 68 ARG C C 13 177.026 0.03 . 1 . . . . 68 ARG C . 18319 1 807 . 1 1 68 68 ARG CA C 13 57.879 0.03 . 1 . . . . 68 ARG CA . 18319 1 808 . 1 1 68 68 ARG CB C 13 29.137 0.03 . 1 . . . . 68 ARG CB . 18319 1 809 . 1 1 68 68 ARG CG C 13 24.723 0.03 . 1 . . . . 68 ARG CG . 18319 1 810 . 1 1 68 68 ARG CD C 13 42.219 0.03 . 1 . . . . 68 ARG CD . 18319 1 811 . 1 1 68 68 ARG N N 15 119.734 0.45 . 1 . . . . 68 ARG N . 18319 1 812 . 1 1 69 69 GLN H H 1 7.867 0.04 . 1 . . . . 69 GLN H . 18319 1 813 . 1 1 69 69 GLN HA H 1 4.076 0.04 . 1 . . . . 69 GLN HA . 18319 1 814 . 1 1 69 69 GLN HB2 H 1 2.075 0.04 . 1 . . . . 69 GLN HB2 . 18319 1 815 . 1 1 69 69 GLN HB3 H 1 2.075 0.04 . 1 . . . . 69 GLN HB3 . 18319 1 816 . 1 1 69 69 GLN HG2 H 1 2.343 0.04 . 1 . . . . 69 GLN HG2 . 18319 1 817 . 1 1 69 69 GLN HG3 H 1 2.343 0.04 . 1 . . . . 69 GLN HG3 . 18319 1 818 . 1 1 69 69 GLN HE21 H 1 7.287 0.04 . 2 . . . . 69 GLN HE21 . 18319 1 819 . 1 1 69 69 GLN HE22 H 1 6.694 0.04 . 2 . . . . 69 GLN HE22 . 18319 1 820 . 1 1 69 69 GLN C C 13 177.340 0.03 . 1 . . . . 69 GLN C . 18319 1 821 . 1 1 69 69 GLN CA C 13 57.701 0.03 . 1 . . . . 69 GLN CA . 18319 1 822 . 1 1 69 69 GLN CB C 13 28.695 0.03 . 1 . . . . 69 GLN CB . 18319 1 823 . 1 1 69 69 GLN CG C 13 33.759 0.03 . 1 . . . . 69 GLN CG . 18319 1 824 . 1 1 69 69 GLN N N 15 117.349 0.45 . 1 . . . . 69 GLN N . 18319 1 825 . 1 1 69 69 GLN NE2 N 15 111.004 0.45 . 1 . . . . 69 GLN NE2 . 18319 1 826 . 1 1 70 70 LYS H H 1 7.910 0.04 . 1 . . . . 70 LYS H . 18319 1 827 . 1 1 70 70 LYS HA H 1 4.101 0.04 . 1 . . . . 70 LYS HA . 18319 1 828 . 1 1 70 70 LYS HB2 H 1 1.809 0.04 . 1 . . . . 70 LYS HB2 . 18319 1 829 . 1 1 70 70 LYS HB3 H 1 1.809 0.04 . 1 . . . . 70 LYS HB3 . 18319 1 830 . 1 1 70 70 LYS HG2 H 1 1.451 0.04 . 1 . . . . 70 LYS HG2 . 18319 1 831 . 1 1 70 70 LYS HG3 H 1 1.451 0.04 . 1 . . . . 70 LYS HG3 . 18319 1 832 . 1 1 70 70 LYS HD2 H 1 1.606 0.04 . 1 . . . . 70 LYS HD2 . 18319 1 833 . 1 1 70 70 LYS HD3 H 1 1.606 0.04 . 1 . . . . 70 LYS HD3 . 18319 1 834 . 1 1 70 70 LYS HE2 H 1 2.821 0.04 . 1 . . . . 70 LYS HE2 . 18319 1 835 . 1 1 70 70 LYS HE3 H 1 2.821 0.04 . 1 . . . . 70 LYS HE3 . 18319 1 836 . 1 1 70 70 LYS C C 13 177.399 0.03 . 1 . . . . 70 LYS C . 18319 1 837 . 1 1 70 70 LYS CA C 13 57.635 0.03 . 1 . . . . 70 LYS CA . 18319 1 838 . 1 1 70 70 LYS CB C 13 32.816 0.03 . 1 . . . . 70 LYS CB . 18319 1 839 . 1 1 70 70 LYS CG C 13 24.950 0.03 . 1 . . . . 70 LYS CG . 18319 1 840 . 1 1 70 70 LYS CD C 13 28.842 0.03 . 1 . . . . 70 LYS CD . 18319 1 841 . 1 1 70 70 LYS CE C 13 42.098 0.03 . 1 . . . . 70 LYS CE . 18319 1 842 . 1 1 70 70 LYS N N 15 119.213 0.45 . 1 . . . . 70 LYS N . 18319 1 843 . 1 1 71 71 GLU H H 1 8.136 0.04 . 1 . . . . 71 GLU H . 18319 1 844 . 1 1 71 71 GLU HA H 1 4.294 0.04 . 1 . . . . 71 GLU HA . 18319 1 845 . 1 1 71 71 GLU HB2 H 1 2.074 0.04 . 1 . . . . 71 GLU HB2 . 18319 1 846 . 1 1 71 71 GLU HB3 H 1 2.074 0.04 . 1 . . . . 71 GLU HB3 . 18319 1 847 . 1 1 71 71 GLU HG2 H 1 2.292 0.04 . 1 . . . . 71 GLU HG2 . 18319 1 848 . 1 1 71 71 GLU HG3 H 1 2.292 0.04 . 1 . . . . 71 GLU HG3 . 18319 1 849 . 1 1 71 71 GLU C C 13 176.762 0.03 . 1 . . . . 71 GLU C . 18319 1 850 . 1 1 71 71 GLU CA C 13 56.855 0.03 . 1 . . . . 71 GLU CA . 18319 1 851 . 1 1 71 71 GLU CB C 13 29.070 0.03 . 1 . . . . 71 GLU CB . 18319 1 852 . 1 1 71 71 GLU CG C 13 33.866 0.03 . 1 . . . . 71 GLU CG . 18319 1 853 . 1 1 71 71 GLU N N 15 118.080 0.45 . 1 . . . . 71 GLU N . 18319 1 854 . 1 1 72 72 LYS H H 1 7.937 0.04 . 1 . . . . 72 LYS H . 18319 1 855 . 1 1 72 72 LYS HA H 1 4.017 0.04 . 1 . . . . 72 LYS HA . 18319 1 856 . 1 1 72 72 LYS HB2 H 1 1.807 0.04 . 1 . . . . 72 LYS HB2 . 18319 1 857 . 1 1 72 72 LYS HB3 H 1 1.807 0.04 . 1 . . . . 72 LYS HB3 . 18319 1 858 . 1 1 72 72 LYS HG2 H 1 1.394 0.04 . 1 . . . . 72 LYS HG2 . 18319 1 859 . 1 1 72 72 LYS HG3 H 1 1.394 0.04 . 1 . . . . 72 LYS HG3 . 18319 1 860 . 1 1 72 72 LYS HD2 H 1 1.594 0.04 . 1 . . . . 72 LYS HD2 . 18319 1 861 . 1 1 72 72 LYS HD3 H 1 1.594 0.04 . 1 . . . . 72 LYS HD3 . 18319 1 862 . 1 1 72 72 LYS HE2 H 1 2.895 0.04 . 1 . . . . 72 LYS HE2 . 18319 1 863 . 1 1 72 72 LYS HE3 H 1 2.895 0.04 . 1 . . . . 72 LYS HE3 . 18319 1 864 . 1 1 72 72 LYS C C 13 176.943 0.03 . 1 . . . . 72 LYS C . 18319 1 865 . 1 1 72 72 LYS CA C 13 57.857 0.03 . 1 . . . . 72 LYS CA . 18319 1 866 . 1 1 72 72 LYS CB C 13 32.382 0.03 . 1 . . . . 72 LYS CB . 18319 1 867 . 1 1 72 72 LYS CG C 13 24.929 0.03 . 1 . . . . 72 LYS CG . 18319 1 868 . 1 1 72 72 LYS CD C 13 29.232 0.03 . 1 . . . . 72 LYS CD . 18319 1 869 . 1 1 72 72 LYS CE C 13 42.196 0.03 . 1 . . . . 72 LYS CE . 18319 1 870 . 1 1 72 72 LYS N N 15 120.080 0.45 . 1 . . . . 72 LYS N . 18319 1 871 . 1 1 73 73 ALA H H 1 7.997 0.04 . 1 . . . . 73 ALA H . 18319 1 872 . 1 1 73 73 ALA HA H 1 4.167 0.04 . 1 . . . . 73 ALA HA . 18319 1 873 . 1 1 73 73 ALA HB1 H 1 1.317 0.04 . 1 . . . . 73 ALA HB . 18319 1 874 . 1 1 73 73 ALA HB2 H 1 1.317 0.04 . 1 . . . . 73 ALA HB . 18319 1 875 . 1 1 73 73 ALA HB3 H 1 1.317 0.04 . 1 . . . . 73 ALA HB . 18319 1 876 . 1 1 73 73 ALA C C 13 177.742 0.03 . 1 . . . . 73 ALA C . 18319 1 877 . 1 1 73 73 ALA CA C 13 53.398 0.03 . 1 . . . . 73 ALA CA . 18319 1 878 . 1 1 73 73 ALA CB C 13 18.760 0.03 . 1 . . . . 73 ALA CB . 18319 1 879 . 1 1 73 73 ALA N N 15 122.294 0.45 . 1 . . . . 73 ALA N . 18319 1 880 . 1 1 74 74 ASN H H 1 8.018 0.04 . 1 . . . . 74 ASN H . 18319 1 881 . 1 1 74 74 ASN HA H 1 4.588 0.04 . 1 . . . . 74 ASN HA . 18319 1 882 . 1 1 74 74 ASN HB2 H 1 2.762 0.04 . 1 . . . . 74 ASN HB2 . 18319 1 883 . 1 1 74 74 ASN HB3 H 1 2.762 0.04 . 1 . . . . 74 ASN HB3 . 18319 1 884 . 1 1 74 74 ASN HD21 H 1 7.493 0.04 . 2 . . . . 74 ASN HD21 . 18319 1 885 . 1 1 74 74 ASN HD22 H 1 6.795 0.04 . 2 . . . . 74 ASN HD22 . 18319 1 886 . 1 1 74 74 ASN C C 13 176.590 0.03 . 1 . . . . 74 ASN C . 18319 1 887 . 1 1 74 74 ASN CA C 13 54.314 0.03 . 1 . . . . 74 ASN CA . 18319 1 888 . 1 1 74 74 ASN CB C 13 38.621 0.03 . 1 . . . . 74 ASN CB . 18319 1 889 . 1 1 74 74 ASN N N 15 116.798 0.45 . 1 . . . . 74 ASN N . 18319 1 890 . 1 1 74 74 ASN ND2 N 15 112.344 0.45 . 1 . . . . 74 ASN ND2 . 18319 1 891 . 1 1 75 75 VAL H H 1 8.089 0.04 . 1 . . . . 75 VAL H . 18319 1 892 . 1 1 75 75 VAL HA H 1 3.792 0.04 . 1 . . . . 75 VAL HA . 18319 1 893 . 1 1 75 75 VAL HB H 1 2.117 0.04 . 1 . . . . 75 VAL HB . 18319 1 894 . 1 1 75 75 VAL HG11 H 1 0.935 0.04 . 2 . . . . 75 VAL HG1 . 18319 1 895 . 1 1 75 75 VAL HG12 H 1 0.935 0.04 . 2 . . . . 75 VAL HG1 . 18319 1 896 . 1 1 75 75 VAL HG13 H 1 0.935 0.04 . 2 . . . . 75 VAL HG1 . 18319 1 897 . 1 1 75 75 VAL HG21 H 1 0.868 0.04 . 2 . . . . 75 VAL HG2 . 18319 1 898 . 1 1 75 75 VAL HG22 H 1 0.868 0.04 . 2 . . . . 75 VAL HG2 . 18319 1 899 . 1 1 75 75 VAL HG23 H 1 0.868 0.04 . 2 . . . . 75 VAL HG2 . 18319 1 900 . 1 1 75 75 VAL C C 13 176.585 0.03 . 1 . . . . 75 VAL C . 18319 1 901 . 1 1 75 75 VAL CA C 13 65.294 0.03 . 1 . . . . 75 VAL CA . 18319 1 902 . 1 1 75 75 VAL CB C 13 31.723 0.03 . 1 . . . . 75 VAL CB . 18319 1 903 . 1 1 75 75 VAL CG1 C 13 22.707 0.03 . 1 . . . . 75 VAL CG1 . 18319 1 904 . 1 1 75 75 VAL CG2 C 13 21.364 0.03 . 1 . . . . 75 VAL CG2 . 18319 1 905 . 1 1 75 75 VAL N N 15 119.114 0.45 . 1 . . . . 75 VAL N . 18319 1 906 . 1 1 76 76 THR H H 1 7.933 0.04 . 1 . . . . 76 THR H . 18319 1 907 . 1 1 76 76 THR HA H 1 3.825 0.04 . 1 . . . . 76 THR HA . 18319 1 908 . 1 1 76 76 THR HB H 1 4.128 0.04 . 1 . . . . 76 THR HB . 18319 1 909 . 1 1 76 76 THR HG21 H 1 1.130 0.04 . 1 . . . . 76 THR HG2 . 18319 1 910 . 1 1 76 76 THR HG22 H 1 1.130 0.04 . 1 . . . . 76 THR HG2 . 18319 1 911 . 1 1 76 76 THR HG23 H 1 1.130 0.04 . 1 . . . . 76 THR HG2 . 18319 1 912 . 1 1 76 76 THR C C 13 175.438 0.03 . 1 . . . . 76 THR C . 18319 1 913 . 1 1 76 76 THR CA C 13 65.753 0.03 . 1 . . . . 76 THR CA . 18319 1 914 . 1 1 76 76 THR CB C 13 68.531 0.03 . 1 . . . . 76 THR CB . 18319 1 915 . 1 1 76 76 THR CG2 C 13 21.964 0.03 . 1 . . . . 76 THR CG2 . 18319 1 916 . 1 1 76 76 THR N N 15 114.400 0.45 . 1 . . . . 76 THR N . 18319 1 917 . 1 1 77 77 ASN H H 1 7.927 0.04 . 1 . . . . 77 ASN H . 18319 1 918 . 1 1 77 77 ASN HA H 1 4.399 0.04 . 1 . . . . 77 ASN HA . 18319 1 919 . 1 1 77 77 ASN HB2 H 1 2.725 0.04 . 1 . . . . 77 ASN HB2 . 18319 1 920 . 1 1 77 77 ASN HB3 H 1 2.725 0.04 . 1 . . . . 77 ASN HB3 . 18319 1 921 . 1 1 77 77 ASN HD21 H 1 6.728 0.04 . 2 . . . . 77 ASN HD21 . 18319 1 922 . 1 1 77 77 ASN HD22 H 1 7.491 0.04 . 2 . . . . 77 ASN HD22 . 18319 1 923 . 1 1 77 77 ASN C C 13 176.631 0.03 . 1 . . . . 77 ASN C . 18319 1 924 . 1 1 77 77 ASN CA C 13 55.267 0.03 . 1 . . . . 77 ASN CA . 18319 1 925 . 1 1 77 77 ASN CB C 13 38.387 0.03 . 1 . . . . 77 ASN CB . 18319 1 926 . 1 1 77 77 ASN N N 15 118.684 0.45 . 1 . . . . 77 ASN N . 18319 1 927 . 1 1 77 77 ASN ND2 N 15 111.587 0.45 . 1 . . . . 77 ASN ND2 . 18319 1 928 . 1 1 78 78 LEU H H 1 7.662 0.04 . 1 . . . . 78 LEU H . 18319 1 929 . 1 1 78 78 LEU HA H 1 4.067 0.04 . 1 . . . . 78 LEU HA . 18319 1 930 . 1 1 78 78 LEU HB2 H 1 1.718 0.04 . 2 . . . . 78 LEU HB2 . 18319 1 931 . 1 1 78 78 LEU HB3 H 1 1.525 0.04 . 2 . . . . 78 LEU HB3 . 18319 1 932 . 1 1 78 78 LEU HG H 1 1.624 0.04 . 1 . . . . 78 LEU HG . 18319 1 933 . 1 1 78 78 LEU HD11 H 1 0.809 0.04 . 2 . . . . 78 LEU HD1 . 18319 1 934 . 1 1 78 78 LEU HD12 H 1 0.809 0.04 . 2 . . . . 78 LEU HD1 . 18319 1 935 . 1 1 78 78 LEU HD13 H 1 0.809 0.04 . 2 . . . . 78 LEU HD1 . 18319 1 936 . 1 1 78 78 LEU HD21 H 1 0.761 0.04 . 2 . . . . 78 LEU HD2 . 18319 1 937 . 1 1 78 78 LEU HD22 H 1 0.761 0.04 . 2 . . . . 78 LEU HD2 . 18319 1 938 . 1 1 78 78 LEU HD23 H 1 0.761 0.04 . 2 . . . . 78 LEU HD2 . 18319 1 939 . 1 1 78 78 LEU C C 13 177.914 0.03 . 1 . . . . 78 LEU C . 18319 1 940 . 1 1 78 78 LEU CA C 13 57.049 0.03 . 1 . . . . 78 LEU CA . 18319 1 941 . 1 1 78 78 LEU CB C 13 42.313 0.03 . 1 . . . . 78 LEU CB . 18319 1 942 . 1 1 78 78 LEU CG C 13 26.877 0.03 . 1 . . . . 78 LEU CG . 18319 1 943 . 1 1 78 78 LEU CD1 C 13 24.964 0.03 . 1 . . . . 78 LEU CD1 . 18319 1 944 . 1 1 78 78 LEU CD2 C 13 23.862 0.03 . 1 . . . . 78 LEU CD2 . 18319 1 945 . 1 1 78 78 LEU N N 15 120.146 0.45 . 1 . . . . 78 LEU N . 18319 1 946 . 1 1 79 79 LEU H H 1 7.751 0.04 . 1 . . . . 79 LEU H . 18319 1 947 . 1 1 79 79 LEU HA H 1 4.068 0.04 . 1 . . . . 79 LEU HA . 18319 1 948 . 1 1 79 79 LEU HB2 H 1 1.733 0.04 . 2 . . . . 79 LEU HB2 . 18319 1 949 . 1 1 79 79 LEU HB3 H 1 1.506 0.04 . 2 . . . . 79 LEU HB3 . 18319 1 950 . 1 1 79 79 LEU HG H 1 1.671 0.04 . 1 . . . . 79 LEU HG . 18319 1 951 . 1 1 79 79 LEU HD11 H 1 0.805 0.04 . 2 . . . . 79 LEU HD1 . 18319 1 952 . 1 1 79 79 LEU HD12 H 1 0.805 0.04 . 2 . . . . 79 LEU HD1 . 18319 1 953 . 1 1 79 79 LEU HD13 H 1 0.805 0.04 . 2 . . . . 79 LEU HD1 . 18319 1 954 . 1 1 79 79 LEU HD21 H 1 0.763 0.04 . 2 . . . . 79 LEU HD2 . 18319 1 955 . 1 1 79 79 LEU HD22 H 1 0.763 0.04 . 2 . . . . 79 LEU HD2 . 18319 1 956 . 1 1 79 79 LEU HD23 H 1 0.763 0.04 . 2 . . . . 79 LEU HD2 . 18319 1 957 . 1 1 79 79 LEU C C 13 177.916 0.03 . 1 . . . . 79 LEU C . 18319 1 958 . 1 1 79 79 LEU CA C 13 57.151 0.03 . 1 . . . . 79 LEU CA . 18319 1 959 . 1 1 79 79 LEU CB C 13 42.004 0.03 . 1 . . . . 79 LEU CB . 18319 1 960 . 1 1 79 79 LEU CG C 13 26.988 0.03 . 1 . . . . 79 LEU CG . 18319 1 961 . 1 1 79 79 LEU CD1 C 13 25.192 0.03 . 1 . . . . 79 LEU CD1 . 18319 1 962 . 1 1 79 79 LEU CD2 C 13 23.824 0.03 . 1 . . . . 79 LEU CD2 . 18319 1 963 . 1 1 79 79 LEU N N 15 118.803 0.45 . 1 . . . . 79 LEU N . 18319 1 964 . 1 1 80 80 ILE H H 1 7.733 0.04 . 1 . . . . 80 ILE H . 18319 1 965 . 1 1 80 80 ILE HA H 1 3.805 0.04 . 1 . . . . 80 ILE HA . 18319 1 966 . 1 1 80 80 ILE HB H 1 1.862 0.04 . 1 . . . . 80 ILE HB . 18319 1 967 . 1 1 80 80 ILE HG12 H 1 1.496 0.04 . 2 . . . . 80 ILE HG12 . 18319 1 968 . 1 1 80 80 ILE HG13 H 1 1.137 0.04 . 2 . . . . 80 ILE HG13 . 18319 1 969 . 1 1 80 80 ILE HG21 H 1 0.812 0.04 . 1 . . . . 80 ILE HG2 . 18319 1 970 . 1 1 80 80 ILE HG22 H 1 0.812 0.04 . 1 . . . . 80 ILE HG2 . 18319 1 971 . 1 1 80 80 ILE HG23 H 1 0.812 0.04 . 1 . . . . 80 ILE HG2 . 18319 1 972 . 1 1 80 80 ILE HD11 H 1 0.753 0.04 . 1 . . . . 80 ILE HD1 . 18319 1 973 . 1 1 80 80 ILE HD12 H 1 0.753 0.04 . 1 . . . . 80 ILE HD1 . 18319 1 974 . 1 1 80 80 ILE HD13 H 1 0.753 0.04 . 1 . . . . 80 ILE HD1 . 18319 1 975 . 1 1 80 80 ILE C C 13 176.982 0.03 . 1 . . . . 80 ILE C . 18319 1 976 . 1 1 80 80 ILE CA C 13 63.009 0.03 . 1 . . . . 80 ILE CA . 18319 1 977 . 1 1 80 80 ILE CB C 13 37.995 0.03 . 1 . . . . 80 ILE CB . 18319 1 978 . 1 1 80 80 ILE CG1 C 13 28.268 0.03 . 1 . . . . 80 ILE CG1 . 18319 1 979 . 1 1 80 80 ILE CG2 C 13 17.627 0.03 . 1 . . . . 80 ILE CG2 . 18319 1 980 . 1 1 80 80 ILE CD1 C 13 13.146 0.03 . 1 . . . . 80 ILE CD1 . 18319 1 981 . 1 1 80 80 ILE N N 15 115.998 0.45 . 1 . . . . 80 ILE N . 18319 1 982 . 1 1 81 81 ALA H H 1 7.735 0.04 . 1 . . . . 81 ALA H . 18319 1 983 . 1 1 81 81 ALA HA H 1 4.098 0.04 . 1 . . . . 81 ALA HA . 18319 1 984 . 1 1 81 81 ALA HB1 H 1 1.358 0.04 . 1 . . . . 81 ALA HB . 18319 1 985 . 1 1 81 81 ALA HB2 H 1 1.358 0.04 . 1 . . . . 81 ALA HB . 18319 1 986 . 1 1 81 81 ALA HB3 H 1 1.358 0.04 . 1 . . . . 81 ALA HB . 18319 1 987 . 1 1 81 81 ALA C C 13 178.009 0.03 . 1 . . . . 81 ALA C . 18319 1 988 . 1 1 81 81 ALA CA C 13 53.718 0.03 . 1 . . . . 81 ALA CA . 18319 1 989 . 1 1 81 81 ALA CB C 13 18.814 0.03 . 1 . . . . 81 ALA CB . 18319 1 990 . 1 1 81 81 ALA N N 15 121.516 0.45 . 1 . . . . 81 ALA N . 18319 1 991 . 1 1 82 82 ASN H H 1 7.667 0.04 . 1 . . . . 82 ASN H . 18319 1 992 . 1 1 82 82 ASN HA H 1 4.649 0.04 . 1 . . . . 82 ASN HA . 18319 1 993 . 1 1 82 82 ASN HB2 H 1 2.769 0.04 . 2 . . . . 82 ASN HB2 . 18319 1 994 . 1 1 82 82 ASN HB3 H 1 2.598 0.04 . 2 . . . . 82 ASN HB3 . 18319 1 995 . 1 1 82 82 ASN HD21 H 1 6.720 0.04 . 2 . . . . 82 ASN HD21 . 18319 1 996 . 1 1 82 82 ASN HD22 H 1 7.480 0.04 . 2 . . . . 82 ASN HD22 . 18319 1 997 . 1 1 82 82 ASN C C 13 174.909 0.03 . 1 . . . . 82 ASN C . 18319 1 998 . 1 1 82 82 ASN CA C 13 53.962 0.03 . 1 . . . . 82 ASN CA . 18319 1 999 . 1 1 82 82 ASN CB C 13 39.676 0.03 . 1 . . . . 82 ASN CB . 18319 1 1000 . 1 1 82 82 ASN N N 15 114.389 0.45 . 1 . . . . 82 ASN N . 18319 1 1001 . 1 1 82 82 ASN ND2 N 15 111.734 0.45 . 1 . . . . 82 ASN ND2 . 18319 1 1002 . 1 1 83 83 LEU H H 1 7.704 0.04 . 1 . . . . 83 LEU H . 18319 1 1003 . 1 1 83 83 LEU HA H 1 4.179 0.04 . 1 . . . . 83 LEU HA . 18319 1 1004 . 1 1 83 83 LEU HB2 H 1 1.619 0.04 . 2 . . . . 83 LEU HB2 . 18319 1 1005 . 1 1 83 83 LEU HB3 H 1 1.393 0.04 . 2 . . . . 83 LEU HB3 . 18319 1 1006 . 1 1 83 83 LEU HG H 1 1.671 0.04 . 1 . . . . 83 LEU HG . 18319 1 1007 . 1 1 83 83 LEU HD11 H 1 0.807 0.04 . 2 . . . . 83 LEU HD1 . 18319 1 1008 . 1 1 83 83 LEU HD12 H 1 0.807 0.04 . 2 . . . . 83 LEU HD1 . 18319 1 1009 . 1 1 83 83 LEU HD13 H 1 0.807 0.04 . 2 . . . . 83 LEU HD1 . 18319 1 1010 . 1 1 83 83 LEU HD21 H 1 0.760 0.04 . 2 . . . . 83 LEU HD2 . 18319 1 1011 . 1 1 83 83 LEU HD22 H 1 0.760 0.04 . 2 . . . . 83 LEU HD2 . 18319 1 1012 . 1 1 83 83 LEU HD23 H 1 0.760 0.04 . 2 . . . . 83 LEU HD2 . 18319 1 1013 . 1 1 83 83 LEU C C 13 177.014 0.03 . 1 . . . . 83 LEU C . 18319 1 1014 . 1 1 83 83 LEU CA C 13 55.924 0.03 . 1 . . . . 83 LEU CA . 18319 1 1015 . 1 1 83 83 LEU CB C 13 42.383 0.03 . 1 . . . . 83 LEU CB . 18319 1 1016 . 1 1 83 83 LEU CG C 13 26.768 0.03 . 1 . . . . 83 LEU CG . 18319 1 1017 . 1 1 83 83 LEU CD1 C 13 25.097 0.03 . 1 . . . . 83 LEU CD1 . 18319 1 1018 . 1 1 83 83 LEU CD2 C 13 23.867 0.03 . 1 . . . . 83 LEU CD2 . 18319 1 1019 . 1 1 83 83 LEU N N 15 121.070 0.45 . 1 . . . . 83 LEU N . 18319 1 1020 . 1 1 84 84 ALA H H 1 8.025 0.04 . 1 . . . . 84 ALA H . 18319 1 1021 . 1 1 84 84 ALA HA H 1 4.210 0.04 . 1 . . . . 84 ALA HA . 18319 1 1022 . 1 1 84 84 ALA HB1 H 1 1.269 0.04 . 1 . . . . 84 ALA HB . 18319 1 1023 . 1 1 84 84 ALA HB2 H 1 1.269 0.04 . 1 . . . . 84 ALA HB . 18319 1 1024 . 1 1 84 84 ALA HB3 H 1 1.269 0.04 . 1 . . . . 84 ALA HB . 18319 1 1025 . 1 1 84 84 ALA C C 13 178.085 0.03 . 1 . . . . 84 ALA C . 18319 1 1026 . 1 1 84 84 ALA CA C 13 53.306 0.03 . 1 . . . . 84 ALA CA . 18319 1 1027 . 1 1 84 84 ALA CB C 13 18.471 0.03 . 1 . . . . 84 ALA CB . 18319 1 1028 . 1 1 84 84 ALA N N 15 122.790 0.45 . 1 . . . . 84 ALA N . 18319 1 1029 . 1 1 85 85 PHE H H 1 7.842 0.04 . 1 . . . . 85 PHE H . 18319 1 1030 . 1 1 85 85 PHE HA H 1 4.454 0.04 . 1 . . . . 85 PHE HA . 18319 1 1031 . 1 1 85 85 PHE HB2 H 1 3.117 0.04 . 1 . . . . 85 PHE HB2 . 18319 1 1032 . 1 1 85 85 PHE HB3 H 1 3.117 0.04 . 1 . . . . 85 PHE HB3 . 18319 1 1033 . 1 1 85 85 PHE HD1 H 1 7.165 0.04 . 1 . . . . 85 PHE HD1 . 18319 1 1034 . 1 1 85 85 PHE HD2 H 1 7.165 0.04 . 1 . . . . 85 PHE HD2 . 18319 1 1035 . 1 1 85 85 PHE C C 13 176.416 0.03 . 1 . . . . 85 PHE C . 18319 1 1036 . 1 1 85 85 PHE CA C 13 59.064 0.03 . 1 . . . . 85 PHE CA . 18319 1 1037 . 1 1 85 85 PHE CB C 13 38.958 0.03 . 1 . . . . 85 PHE CB . 18319 1 1038 . 1 1 85 85 PHE N N 15 117.088 0.45 . 1 . . . . 85 PHE N . 18319 1 1039 . 1 1 86 86 SER H H 1 8.013 0.04 . 1 . . . . 86 SER H . 18319 1 1040 . 1 1 86 86 SER HA H 1 4.009 0.04 . 1 . . . . 86 SER HA . 18319 1 1041 . 1 1 86 86 SER HB2 H 1 3.881 0.04 . 1 . . . . 86 SER HB2 . 18319 1 1042 . 1 1 86 86 SER HB3 H 1 3.881 0.04 . 1 . . . . 86 SER HB3 . 18319 1 1043 . 1 1 86 86 SER C C 13 175.522 0.03 . 1 . . . . 86 SER C . 18319 1 1044 . 1 1 86 86 SER CA C 13 61.059 0.03 . 1 . . . . 86 SER CA . 18319 1 1045 . 1 1 86 86 SER CB C 13 62.994 0.03 . 1 . . . . 86 SER CB . 18319 1 1046 . 1 1 86 86 SER N N 15 114.770 0.45 . 1 . . . . 86 SER N . 18319 1 1047 . 1 1 87 87 ASP H H 1 8.093 0.04 . 1 . . . . 87 ASP H . 18319 1 1048 . 1 1 87 87 ASP HA H 1 4.327 0.04 . 1 . . . . 87 ASP HA . 18319 1 1049 . 1 1 87 87 ASP HB2 H 1 2.631 0.04 . 1 . . . . 87 ASP HB2 . 18319 1 1050 . 1 1 87 87 ASP HB3 H 1 2.631 0.04 . 1 . . . . 87 ASP HB3 . 18319 1 1051 . 1 1 87 87 ASP C C 13 178.197 0.03 . 1 . . . . 87 ASP C . 18319 1 1052 . 1 1 87 87 ASP CA C 13 57.252 0.03 . 1 . . . . 87 ASP CA . 18319 1 1053 . 1 1 87 87 ASP CB C 13 40.055 0.03 . 1 . . . . 87 ASP CB . 18319 1 1054 . 1 1 87 87 ASP N N 15 122.013 0.45 . 1 . . . . 87 ASP N . 18319 1 1055 . 1 1 88 88 PHE H H 1 7.935 0.04 . 1 . . . . 88 PHE H . 18319 1 1056 . 1 1 88 88 PHE HA H 1 4.204 0.04 . 1 . . . . 88 PHE HA . 18319 1 1057 . 1 1 88 88 PHE HB2 H 1 3.194 0.04 . 2 . . . . 88 PHE HB2 . 18319 1 1058 . 1 1 88 88 PHE HB3 H 1 2.991 0.04 . 2 . . . . 88 PHE HB3 . 18319 1 1059 . 1 1 88 88 PHE HD1 H 1 7.069 0.04 . 1 . . . . 88 PHE HD1 . 18319 1 1060 . 1 1 88 88 PHE HD2 H 1 7.069 0.04 . 1 . . . . 88 PHE HD2 . 18319 1 1061 . 1 1 88 88 PHE C C 13 176.854 0.03 . 1 . . . . 88 PHE C . 18319 1 1062 . 1 1 88 88 PHE CA C 13 60.748 0.03 . 1 . . . . 88 PHE CA . 18319 1 1063 . 1 1 88 88 PHE CB C 13 39.025 0.03 . 1 . . . . 88 PHE CB . 18319 1 1064 . 1 1 88 88 PHE N N 15 120.198 0.45 . 1 . . . . 88 PHE N . 18319 1 1065 . 1 1 89 89 LEU H H 1 7.876 0.04 . 1 . . . . 89 LEU H . 18319 1 1066 . 1 1 89 89 LEU HA H 1 4.077 0.04 . 1 . . . . 89 LEU HA . 18319 1 1067 . 1 1 89 89 LEU HB2 H 1 1.500 0.04 . 2 . . . . 89 LEU HB2 . 18319 1 1068 . 1 1 89 89 LEU HB3 H 1 1.625 0.04 . 2 . . . . 89 LEU HB3 . 18319 1 1069 . 1 1 89 89 LEU HG H 1 1.624 0.04 . 1 . . . . 89 LEU HG . 18319 1 1070 . 1 1 89 89 LEU HD11 H 1 0.712 0.04 . 2 . . . . 89 LEU HD1 . 18319 1 1071 . 1 1 89 89 LEU HD12 H 1 0.712 0.04 . 2 . . . . 89 LEU HD1 . 18319 1 1072 . 1 1 89 89 LEU HD13 H 1 0.712 0.04 . 2 . . . . 89 LEU HD1 . 18319 1 1073 . 1 1 89 89 LEU HD21 H 1 0.693 0.04 . 2 . . . . 89 LEU HD2 . 18319 1 1074 . 1 1 89 89 LEU HD22 H 1 0.693 0.04 . 2 . . . . 89 LEU HD2 . 18319 1 1075 . 1 1 89 89 LEU HD23 H 1 0.693 0.04 . 2 . . . . 89 LEU HD2 . 18319 1 1076 . 1 1 89 89 LEU C C 13 178.230 0.03 . 1 . . . . 89 LEU C . 18319 1 1077 . 1 1 89 89 LEU CA C 13 57.760 0.03 . 1 . . . . 89 LEU CA . 18319 1 1078 . 1 1 89 89 LEU CB C 13 42.096 0.03 . 1 . . . . 89 LEU CB . 18319 1 1079 . 1 1 89 89 LEU CG C 13 27.308 0.03 . 1 . . . . 89 LEU CG . 18319 1 1080 . 1 1 89 89 LEU CD1 C 13 25.141 0.03 . 1 . . . . 89 LEU CD1 . 18319 1 1081 . 1 1 89 89 LEU CD2 C 13 23.778 0.03 . 1 . . . . 89 LEU CD2 . 18319 1 1082 . 1 1 89 89 LEU N N 15 118.322 0.45 . 1 . . . . 89 LEU N . 18319 1 1083 . 1 1 90 90 MET H H 1 7.937 0.04 . 1 . . . . 90 MET H . 18319 1 1084 . 1 1 90 90 MET HA H 1 4.107 0.04 . 1 . . . . 90 MET HA . 18319 1 1085 . 1 1 90 90 MET HB2 H 1 2.118 0.04 . 2 . . . . 90 MET HB2 . 18319 1 1086 . 1 1 90 90 MET HB3 H 1 2.013 0.04 . 2 . . . . 90 MET HB3 . 18319 1 1087 . 1 1 90 90 MET HG2 H 1 2.640 0.04 . 2 . . . . 90 MET HG2 . 18319 1 1088 . 1 1 90 90 MET HG3 H 1 2.538 0.04 . 2 . . . . 90 MET HG3 . 18319 1 1089 . 1 1 90 90 MET HE1 H 1 1.942 0.04 . 1 . . . . 90 MET HE . 18319 1 1090 . 1 1 90 90 MET HE2 H 1 1.942 0.04 . 1 . . . . 90 MET HE . 18319 1 1091 . 1 1 90 90 MET HE3 H 1 1.942 0.04 . 1 . . . . 90 MET HE . 18319 1 1092 . 1 1 90 90 MET C C 13 178.358 0.03 . 1 . . . . 90 MET C . 18319 1 1093 . 1 1 90 90 MET CA C 13 57.845 0.03 . 1 . . . . 90 MET CA . 18319 1 1094 . 1 1 90 90 MET CB C 13 31.465 0.03 . 1 . . . . 90 MET CB . 18319 1 1095 . 1 1 90 90 MET CG C 13 32.552 0.03 . 1 . . . . 90 MET CG . 18319 1 1096 . 1 1 90 90 MET CE C 13 17.044 0.03 . 1 . . . . 90 MET CE . 18319 1 1097 . 1 1 90 90 MET N N 15 115.761 0.45 . 1 . . . . 90 MET N . 18319 1 1098 . 1 1 91 91 CYS H H 1 7.684 0.04 . 1 . . . . 91 CYS H . 18319 1 1099 . 1 1 91 91 CYS HA H 1 4.053 0.04 . 1 . . . . 91 CYS HA . 18319 1 1100 . 1 1 91 91 CYS HB2 H 1 2.936 0.04 . 2 . . . . 91 CYS HB2 . 18319 1 1101 . 1 1 91 91 CYS HB3 H 1 2.812 0.04 . 2 . . . . 91 CYS HB3 . 18319 1 1102 . 1 1 91 91 CYS C C 13 176.489 0.03 . 1 . . . . 91 CYS C . 18319 1 1103 . 1 1 91 91 CYS CA C 13 62.257 0.03 . 1 . . . . 91 CYS CA . 18319 1 1104 . 1 1 91 91 CYS CB C 13 26.357 0.03 . 1 . . . . 91 CYS CB . 18319 1 1105 . 1 1 91 91 CYS N N 15 117.535 0.45 . 1 . . . . 91 CYS N . 18319 1 1106 . 1 1 92 92 LEU H H 1 7.530 0.04 . 1 . . . . 92 LEU H . 18319 1 1107 . 1 1 92 92 LEU HA H 1 3.811 0.04 . 1 . . . . 92 LEU HA . 18319 1 1108 . 1 1 92 92 LEU HB2 H 1 1.718 0.04 . 2 . . . . 92 LEU HB2 . 18319 1 1109 . 1 1 92 92 LEU HB3 H 1 1.437 0.04 . 2 . . . . 92 LEU HB3 . 18319 1 1110 . 1 1 92 92 LEU HG H 1 1.456 0.04 . 1 . . . . 92 LEU HG . 18319 1 1111 . 1 1 92 92 LEU HD11 H 1 0.785 0.04 . 2 . . . . 92 LEU HD1 . 18319 1 1112 . 1 1 92 92 LEU HD12 H 1 0.785 0.04 . 2 . . . . 92 LEU HD1 . 18319 1 1113 . 1 1 92 92 LEU HD13 H 1 0.785 0.04 . 2 . . . . 92 LEU HD1 . 18319 1 1114 . 1 1 92 92 LEU HD21 H 1 0.762 0.04 . 2 . . . . 92 LEU HD2 . 18319 1 1115 . 1 1 92 92 LEU HD22 H 1 0.762 0.04 . 2 . . . . 92 LEU HD2 . 18319 1 1116 . 1 1 92 92 LEU HD23 H 1 0.762 0.04 . 2 . . . . 92 LEU HD2 . 18319 1 1117 . 1 1 92 92 LEU C C 13 176.955 0.03 . 1 . . . . 92 LEU C . 18319 1 1118 . 1 1 92 92 LEU CA C 13 57.500 0.03 . 1 . . . . 92 LEU CA . 18319 1 1119 . 1 1 92 92 LEU CB C 13 42.050 0.03 . 1 . . . . 92 LEU CB . 18319 1 1120 . 1 1 92 92 LEU CG C 13 26.546 0.03 . 1 . . . . 92 LEU CG . 18319 1 1121 . 1 1 92 92 LEU CD1 C 13 25.253 0.03 . 1 . . . . 92 LEU CD1 . 18319 1 1122 . 1 1 92 92 LEU CD2 C 13 23.959 0.03 . 1 . . . . 92 LEU CD2 . 18319 1 1123 . 1 1 92 92 LEU N N 15 119.597 0.45 . 1 . . . . 92 LEU N . 18319 1 1124 . 1 1 93 93 LEU H H 1 7.547 0.04 . 1 . . . . 93 LEU H . 18319 1 1125 . 1 1 93 93 LEU HA H 1 4.006 0.04 . 1 . . . . 93 LEU HA . 18319 1 1126 . 1 1 93 93 LEU HB2 H 1 1.707 0.04 . 1 . . . . 93 LEU HB2 . 18319 1 1127 . 1 1 93 93 LEU HB3 H 1 1.707 0.04 . 1 . . . . 93 LEU HB3 . 18319 1 1128 . 1 1 93 93 LEU HG H 1 1.612 0.04 . 1 . . . . 93 LEU HG . 18319 1 1129 . 1 1 93 93 LEU HD11 H 1 0.798 0.04 . 2 . . . . 93 LEU HD1 . 18319 1 1130 . 1 1 93 93 LEU HD12 H 1 0.798 0.04 . 2 . . . . 93 LEU HD1 . 18319 1 1131 . 1 1 93 93 LEU HD13 H 1 0.798 0.04 . 2 . . . . 93 LEU HD1 . 18319 1 1132 . 1 1 93 93 LEU HD21 H 1 0.763 0.04 . 2 . . . . 93 LEU HD2 . 18319 1 1133 . 1 1 93 93 LEU HD22 H 1 0.763 0.04 . 2 . . . . 93 LEU HD2 . 18319 1 1134 . 1 1 93 93 LEU HD23 H 1 0.763 0.04 . 2 . . . . 93 LEU HD2 . 18319 1 1135 . 1 1 93 93 LEU C C 13 177.303 0.03 . 1 . . . . 93 LEU C . 18319 1 1136 . 1 1 93 93 LEU CA C 13 56.277 0.03 . 1 . . . . 93 LEU CA . 18319 1 1137 . 1 1 93 93 LEU CB C 13 42.158 0.03 . 1 . . . . 93 LEU CB . 18319 1 1138 . 1 1 93 93 LEU CG C 13 26.957 0.03 . 1 . . . . 93 LEU CG . 18319 1 1139 . 1 1 93 93 LEU CD1 C 13 25.133 0.03 . 1 . . . . 93 LEU CD1 . 18319 1 1140 . 1 1 93 93 LEU CD2 C 13 23.942 0.03 . 1 . . . . 93 LEU CD2 . 18319 1 1141 . 1 1 93 93 LEU N N 15 113.463 0.45 . 1 . . . . 93 LEU N . 18319 1 1142 . 1 1 94 94 CYS H H 1 7.477 0.04 . 1 . . . . 94 CYS H . 18319 1 1143 . 1 1 94 94 CYS HA H 1 4.299 0.04 . 1 . . . . 94 CYS HA . 18319 1 1144 . 1 1 94 94 CYS HB2 H 1 2.935 0.04 . 1 . . . . 94 CYS HB2 . 18319 1 1145 . 1 1 94 94 CYS HB3 H 1 2.935 0.04 . 1 . . . . 94 CYS HB3 . 18319 1 1146 . 1 1 94 94 CYS C C 13 175.267 0.03 . 1 . . . . 94 CYS C . 18319 1 1147 . 1 1 94 94 CYS CA C 13 60.459 0.03 . 1 . . . . 94 CYS CA . 18319 1 1148 . 1 1 94 94 CYS CB C 13 27.955 0.03 . 1 . . . . 94 CYS CB . 18319 1 1149 . 1 1 94 94 CYS N N 15 113.323 0.45 . 1 . . . . 94 CYS N . 18319 1 1150 . 1 1 95 95 GLN H H 1 7.937 0.04 . 1 . . . . 95 GLN H . 18319 1 1151 . 1 1 95 95 GLN HA H 1 4.115 0.04 . 1 . . . . 95 GLN HA . 18319 1 1152 . 1 1 95 95 GLN HB2 H 1 2.062 0.04 . 1 . . . . 95 GLN HB2 . 18319 1 1153 . 1 1 95 95 GLN HB3 H 1 2.062 0.04 . 1 . . . . 95 GLN HB3 . 18319 1 1154 . 1 1 95 95 GLN HG2 H 1 2.326 0.04 . 1 . . . . 95 GLN HG2 . 18319 1 1155 . 1 1 95 95 GLN HG3 H 1 2.326 0.04 . 1 . . . . 95 GLN HG3 . 18319 1 1156 . 1 1 95 95 GLN HE21 H 1 7.284 0.04 . 2 . . . . 95 GLN HE21 . 18319 1 1157 . 1 1 95 95 GLN HE22 H 1 6.633 0.04 . 2 . . . . 95 GLN HE22 . 18319 1 1158 . 1 1 95 95 GLN CA C 13 57.598 0.03 . 1 . . . . 95 GLN CA . 18319 1 1159 . 1 1 95 95 GLN CB C 13 28.792 0.03 . 1 . . . . 95 GLN CB . 18319 1 1160 . 1 1 95 95 GLN CG C 13 33.800 0.03 . 1 . . . . 95 GLN CG . 18319 1 1161 . 1 1 95 95 GLN N N 15 119.032 0.45 . 1 . . . . 95 GLN N . 18319 1 1162 . 1 1 95 95 GLN NE2 N 15 111.142 0.45 . 1 . . . . 95 GLN NE2 . 18319 1 1163 . 1 1 96 96 PRO HA H 1 4.357 0.04 . 1 . . . . 96 PRO HA . 18319 1 1164 . 1 1 96 96 PRO HB2 H 1 2.187 0.04 . 2 . . . . 96 PRO HB2 . 18319 1 1165 . 1 1 96 96 PRO HB3 H 1 1.785 0.04 . 2 . . . . 96 PRO HB3 . 18319 1 1166 . 1 1 96 96 PRO HG2 H 1 1.898 0.04 . 1 . . . . 96 PRO HG2 . 18319 1 1167 . 1 1 96 96 PRO HG3 H 1 1.898 0.04 . 1 . . . . 96 PRO HG3 . 18319 1 1168 . 1 1 96 96 PRO HD2 H 1 3.695 0.04 . 2 . . . . 96 PRO HD2 . 18319 1 1169 . 1 1 96 96 PRO HD3 H 1 3.471 0.04 . 2 . . . . 96 PRO HD3 . 18319 1 1170 . 1 1 96 96 PRO CA C 13 63.238 0.03 . 1 . . . . 96 PRO CA . 18319 1 1171 . 1 1 96 96 PRO CB C 13 31.894 0.03 . 1 . . . . 96 PRO CB . 18319 1 1172 . 1 1 96 96 PRO CG C 13 27.364 0.03 . 1 . . . . 96 PRO CG . 18319 1 1173 . 1 1 96 96 PRO CD C 13 50.316 0.03 . 1 . . . . 96 PRO CD . 18319 1 1174 . 1 1 97 97 LEU H H 1 8.103 0.04 . 1 . . . . 97 LEU H . 18319 1 1175 . 1 1 97 97 LEU HA H 1 4.001 0.04 . 1 . . . . 97 LEU HA . 18319 1 1176 . 1 1 97 97 LEU HB2 H 1 1.652 0.04 . 1 . . . . 97 LEU HB2 . 18319 1 1177 . 1 1 97 97 LEU HB3 H 1 1.652 0.04 . 1 . . . . 97 LEU HB3 . 18319 1 1178 . 1 1 97 97 LEU HG H 1 1.656 0.04 . 1 . . . . 97 LEU HG . 18319 1 1179 . 1 1 97 97 LEU HD11 H 1 0.811 0.04 . 2 . . . . 97 LEU HD1 . 18319 1 1180 . 1 1 97 97 LEU HD12 H 1 0.811 0.04 . 2 . . . . 97 LEU HD1 . 18319 1 1181 . 1 1 97 97 LEU HD13 H 1 0.811 0.04 . 2 . . . . 97 LEU HD1 . 18319 1 1182 . 1 1 97 97 LEU HD21 H 1 0.769 0.04 . 2 . . . . 97 LEU HD2 . 18319 1 1183 . 1 1 97 97 LEU HD22 H 1 0.769 0.04 . 2 . . . . 97 LEU HD2 . 18319 1 1184 . 1 1 97 97 LEU HD23 H 1 0.769 0.04 . 2 . . . . 97 LEU HD2 . 18319 1 1185 . 1 1 97 97 LEU C C 13 178.197 0.03 . 1 . . . . 97 LEU C . 18319 1 1186 . 1 1 97 97 LEU CA C 13 57.592 0.03 . 1 . . . . 97 LEU CA . 18319 1 1187 . 1 1 97 97 LEU CB C 13 41.030 0.03 . 1 . . . . 97 LEU CB . 18319 1 1188 . 1 1 97 97 LEU CG C 13 27.176 0.03 . 1 . . . . 97 LEU CG . 18319 1 1189 . 1 1 97 97 LEU CD1 C 13 25.060 0.03 . 1 . . . . 97 LEU CD1 . 18319 1 1190 . 1 1 97 97 LEU CD2 C 13 23.816 0.03 . 1 . . . . 97 LEU CD2 . 18319 1 1191 . 1 1 97 97 LEU N N 15 117.345 0.45 . 1 . . . . 97 LEU N . 18319 1 1192 . 1 1 98 98 THR H H 1 7.676 0.04 . 1 . . . . 98 THR H . 18319 1 1193 . 1 1 98 98 THR HA H 1 3.817 0.04 . 1 . . . . 98 THR HA . 18319 1 1194 . 1 1 98 98 THR HB H 1 4.131 0.04 . 1 . . . . 98 THR HB . 18319 1 1195 . 1 1 98 98 THR HG21 H 1 1.133 0.04 . 1 . . . . 98 THR HG2 . 18319 1 1196 . 1 1 98 98 THR HG22 H 1 1.133 0.04 . 1 . . . . 98 THR HG2 . 18319 1 1197 . 1 1 98 98 THR HG23 H 1 1.133 0.04 . 1 . . . . 98 THR HG2 . 18319 1 1198 . 1 1 98 98 THR CA C 13 65.479 0.03 . 1 . . . . 98 THR CA . 18319 1 1199 . 1 1 98 98 THR CB C 13 68.799 0.03 . 1 . . . . 98 THR CB . 18319 1 1200 . 1 1 98 98 THR CG2 C 13 21.989 0.03 . 1 . . . . 98 THR CG2 . 18319 1 1201 . 1 1 98 98 THR N N 15 113.005 0.45 . 1 . . . . 98 THR N . 18319 1 1202 . 1 1 99 99 ALA H H 1 7.835 0.04 . 1 . . . . 99 ALA H . 18319 1 1203 . 1 1 99 99 ALA HA H 1 4.080 0.04 . 1 . . . . 99 ALA HA . 18319 1 1204 . 1 1 99 99 ALA HB1 H 1 1.379 0.04 . 1 . . . . 99 ALA HB . 18319 1 1205 . 1 1 99 99 ALA HB2 H 1 1.379 0.04 . 1 . . . . 99 ALA HB . 18319 1 1206 . 1 1 99 99 ALA HB3 H 1 1.379 0.04 . 1 . . . . 99 ALA HB . 18319 1 1207 . 1 1 99 99 ALA C C 13 178.848 0.03 . 1 . . . . 99 ALA C . 18319 1 1208 . 1 1 99 99 ALA CA C 13 55.204 0.03 . 1 . . . . 99 ALA CA . 18319 1 1209 . 1 1 99 99 ALA CB C 13 18.438 0.03 . 1 . . . . 99 ALA CB . 18319 1 1210 . 1 1 99 99 ALA N N 15 124.519 0.45 . 1 . . . . 99 ALA N . 18319 1 1211 . 1 1 100 100 VAL H H 1 7.679 0.04 . 1 . . . . 100 VAL H . 18319 1 1212 . 1 1 100 100 VAL HA H 1 3.520 0.04 . 1 . . . . 100 VAL HA . 18319 1 1213 . 1 1 100 100 VAL HB H 1 2.085 0.04 . 1 . . . . 100 VAL HB . 18319 1 1214 . 1 1 100 100 VAL HG11 H 1 0.780 0.04 . 2 . . . . 100 VAL HG1 . 18319 1 1215 . 1 1 100 100 VAL HG12 H 1 0.780 0.04 . 2 . . . . 100 VAL HG1 . 18319 1 1216 . 1 1 100 100 VAL HG13 H 1 0.780 0.04 . 2 . . . . 100 VAL HG1 . 18319 1 1217 . 1 1 100 100 VAL HG21 H 1 0.909 0.04 . 2 . . . . 100 VAL HG2 . 18319 1 1218 . 1 1 100 100 VAL HG22 H 1 0.909 0.04 . 2 . . . . 100 VAL HG2 . 18319 1 1219 . 1 1 100 100 VAL HG23 H 1 0.909 0.04 . 2 . . . . 100 VAL HG2 . 18319 1 1220 . 1 1 100 100 VAL C C 13 177.032 0.03 . 1 . . . . 100 VAL C . 18319 1 1221 . 1 1 100 100 VAL CA C 13 66.336 0.03 . 1 . . . . 100 VAL CA . 18319 1 1222 . 1 1 100 100 VAL CB C 13 31.457 0.03 . 1 . . . . 100 VAL CB . 18319 1 1223 . 1 1 100 100 VAL CG1 C 13 21.340 0.03 . 1 . . . . 100 VAL CG1 . 18319 1 1224 . 1 1 100 100 VAL CG2 C 13 22.592 0.03 . 1 . . . . 100 VAL CG2 . 18319 1 1225 . 1 1 100 100 VAL N N 15 116.201 0.45 . 1 . . . . 100 VAL N . 18319 1 1226 . 1 1 101 101 TYR H H 1 7.943 0.04 . 1 . . . . 101 TYR H . 18319 1 1227 . 1 1 101 101 TYR HA H 1 4.241 0.04 . 1 . . . . 101 TYR HA . 18319 1 1228 . 1 1 101 101 TYR HB2 H 1 3.096 0.04 . 2 . . . . 101 TYR HB2 . 18319 1 1229 . 1 1 101 101 TYR HB3 H 1 2.978 0.04 . 2 . . . . 101 TYR HB3 . 18319 1 1230 . 1 1 101 101 TYR HD1 H 1 7.000 0.04 . 1 . . . . 101 TYR HD1 . 18319 1 1231 . 1 1 101 101 TYR HD2 H 1 7.000 0.04 . 1 . . . . 101 TYR HD2 . 18319 1 1232 . 1 1 101 101 TYR HE1 H 1 6.642 0.04 . 1 . . . . 101 TYR HE1 . 18319 1 1233 . 1 1 101 101 TYR HE2 H 1 6.642 0.04 . 1 . . . . 101 TYR HE2 . 18319 1 1234 . 1 1 101 101 TYR C C 13 177.758 0.03 . 1 . . . . 101 TYR C . 18319 1 1235 . 1 1 101 101 TYR CA C 13 60.423 0.03 . 1 . . . . 101 TYR CA . 18319 1 1236 . 1 1 101 101 TYR CB C 13 37.329 0.03 . 1 . . . . 101 TYR CB . 18319 1 1237 . 1 1 101 101 TYR N N 15 118.579 0.45 . 1 . . . . 101 TYR N . 18319 1 1238 . 1 1 102 102 THR H H 1 7.907 0.04 . 1 . . . . 102 THR H . 18319 1 1239 . 1 1 102 102 THR HA H 1 3.941 0.04 . 1 . . . . 102 THR HA . 18319 1 1240 . 1 1 102 102 THR HB H 1 4.289 0.04 . 1 . . . . 102 THR HB . 18319 1 1241 . 1 1 102 102 THR HG21 H 1 1.167 0.04 . 1 . . . . 102 THR HG2 . 18319 1 1242 . 1 1 102 102 THR HG22 H 1 1.167 0.04 . 1 . . . . 102 THR HG2 . 18319 1 1243 . 1 1 102 102 THR HG23 H 1 1.167 0.04 . 1 . . . . 102 THR HG2 . 18319 1 1244 . 1 1 102 102 THR C C 13 176.027 0.03 . 1 . . . . 102 THR C . 18319 1 1245 . 1 1 102 102 THR CA C 13 66.333 0.03 . 1 . . . . 102 THR CA . 18319 1 1246 . 1 1 102 102 THR CB C 13 68.968 0.03 . 1 . . . . 102 THR CB . 18319 1 1247 . 1 1 102 102 THR CG2 C 13 22.011 0.03 . 1 . . . . 102 THR CG2 . 18319 1 1248 . 1 1 102 102 THR N N 15 114.902 0.45 . 1 . . . . 102 THR N . 18319 1 1249 . 1 1 103 103 ILE H H 1 7.786 0.04 . 1 . . . . 103 ILE H . 18319 1 1250 . 1 1 103 103 ILE HA H 1 3.808 0.04 . 1 . . . . 103 ILE HA . 18319 1 1251 . 1 1 103 103 ILE HB H 1 1.960 0.04 . 1 . . . . 103 ILE HB . 18319 1 1252 . 1 1 103 103 ILE HG12 H 1 1.666 0.04 . 1 . . . . 103 ILE HG12 . 18319 1 1253 . 1 1 103 103 ILE HG13 H 1 1.666 0.04 . 1 . . . . 103 ILE HG13 . 18319 1 1254 . 1 1 103 103 ILE HG21 H 1 0.862 0.04 . 1 . . . . 103 ILE HG2 . 18319 1 1255 . 1 1 103 103 ILE HG22 H 1 0.862 0.04 . 1 . . . . 103 ILE HG2 . 18319 1 1256 . 1 1 103 103 ILE HG23 H 1 0.862 0.04 . 1 . . . . 103 ILE HG2 . 18319 1 1257 . 1 1 103 103 ILE HD11 H 1 0.758 0.04 . 1 . . . . 103 ILE HD1 . 18319 1 1258 . 1 1 103 103 ILE HD12 H 1 0.758 0.04 . 1 . . . . 103 ILE HD1 . 18319 1 1259 . 1 1 103 103 ILE HD13 H 1 0.758 0.04 . 1 . . . . 103 ILE HD1 . 18319 1 1260 . 1 1 103 103 ILE C C 13 177.296 0.03 . 1 . . . . 103 ILE C . 18319 1 1261 . 1 1 103 103 ILE CA C 13 64.866 0.03 . 1 . . . . 103 ILE CA . 18319 1 1262 . 1 1 103 103 ILE CB C 13 37.834 0.03 . 1 . . . . 103 ILE CB . 18319 1 1263 . 1 1 103 103 ILE CG1 C 13 29.003 0.03 . 1 . . . . 103 ILE CG1 . 18319 1 1264 . 1 1 103 103 ILE CG2 C 13 17.755 0.03 . 1 . . . . 103 ILE CG2 . 18319 1 1265 . 1 1 103 103 ILE CD1 C 13 13.279 0.03 . 1 . . . . 103 ILE CD1 . 18319 1 1266 . 1 1 103 103 ILE N N 15 120.209 0.45 . 1 . . . . 103 ILE N . 18319 1 1267 . 1 1 104 104 MET H H 1 8.024 0.04 . 1 . . . . 104 MET H . 18319 1 1268 . 1 1 104 104 MET HA H 1 4.127 0.04 . 1 . . . . 104 MET HA . 18319 1 1269 . 1 1 104 104 MET HB2 H 1 2.120 0.04 . 2 . . . . 104 MET HB2 . 18319 1 1270 . 1 1 104 104 MET HB3 H 1 2.044 0.04 . 2 . . . . 104 MET HB3 . 18319 1 1271 . 1 1 104 104 MET HG2 H 1 2.415 0.04 . 2 . . . . 104 MET HG2 . 18319 1 1272 . 1 1 104 104 MET HG3 H 1 2.601 0.04 . 2 . . . . 104 MET HG3 . 18319 1 1273 . 1 1 104 104 MET HE1 H 1 1.922 0.04 . 1 . . . . 104 MET HE . 18319 1 1274 . 1 1 104 104 MET HE2 H 1 1.922 0.04 . 1 . . . . 104 MET HE . 18319 1 1275 . 1 1 104 104 MET HE3 H 1 1.922 0.04 . 1 . . . . 104 MET HE . 18319 1 1276 . 1 1 104 104 MET C C 13 177.495 0.03 . 1 . . . . 104 MET C . 18319 1 1277 . 1 1 104 104 MET CA C 13 58.602 0.03 . 1 . . . . 104 MET CA . 18319 1 1278 . 1 1 104 104 MET CB C 13 31.869 0.03 . 1 . . . . 104 MET CB . 18319 1 1279 . 1 1 104 104 MET CG C 13 32.618 0.03 . 1 . . . . 104 MET CG . 18319 1 1280 . 1 1 104 104 MET CE C 13 17.178 0.03 . 1 . . . . 104 MET CE . 18319 1 1281 . 1 1 104 104 MET N N 15 117.854 0.45 . 1 . . . . 104 MET N . 18319 1 1282 . 1 1 105 105 ASP H H 1 8.003 0.04 . 1 . . . . 105 ASP H . 18319 1 1283 . 1 1 105 105 ASP HA H 1 4.443 0.04 . 1 . . . . 105 ASP HA . 18319 1 1284 . 1 1 105 105 ASP HB2 H 1 2.655 0.04 . 2 . . . . 105 ASP HB2 . 18319 1 1285 . 1 1 105 105 ASP HB3 H 1 2.560 0.04 . 2 . . . . 105 ASP HB3 . 18319 1 1286 . 1 1 105 105 ASP C C 13 177.742 0.03 . 1 . . . . 105 ASP C . 18319 1 1287 . 1 1 105 105 ASP CA C 13 56.614 0.03 . 1 . . . . 105 ASP CA . 18319 1 1288 . 1 1 105 105 ASP CB C 13 39.990 0.03 . 1 . . . . 105 ASP CB . 18319 1 1289 . 1 1 105 105 ASP N N 15 118.278 0.45 . 1 . . . . 105 ASP N . 18319 1 1290 . 1 1 106 106 TYR H H 1 7.862 0.04 . 1 . . . . 106 TYR H . 18319 1 1291 . 1 1 106 106 TYR HA H 1 4.319 0.04 . 1 . . . . 106 TYR HA . 18319 1 1292 . 1 1 106 106 TYR HB2 H 1 3.038 0.04 . 2 . . . . 106 TYR HB2 . 18319 1 1293 . 1 1 106 106 TYR HB3 H 1 2.990 0.04 . 2 . . . . 106 TYR HB3 . 18319 1 1294 . 1 1 106 106 TYR HD1 H 1 7.134 0.04 . 1 . . . . 106 TYR HD1 . 18319 1 1295 . 1 1 106 106 TYR HD2 H 1 7.134 0.04 . 1 . . . . 106 TYR HD2 . 18319 1 1296 . 1 1 106 106 TYR HE1 H 1 6.835 0.04 . 1 . . . . 106 TYR HE1 . 18319 1 1297 . 1 1 106 106 TYR HE2 H 1 6.835 0.04 . 1 . . . . 106 TYR HE2 . 18319 1 1298 . 1 1 106 106 TYR C C 13 177.029 0.03 . 1 . . . . 106 TYR C . 18319 1 1299 . 1 1 106 106 TYR CA C 13 60.491 0.03 . 1 . . . . 106 TYR CA . 18319 1 1300 . 1 1 106 106 TYR CB C 13 38.471 0.03 . 1 . . . . 106 TYR CB . 18319 1 1301 . 1 1 106 106 TYR N N 15 118.423 0.45 . 1 . . . . 106 TYR N . 18319 1 1302 . 1 1 107 107 TRP H H 1 8.185 0.04 . 1 . . . . 107 TRP H . 18319 1 1303 . 1 1 107 107 TRP HA H 1 4.328 0.04 . 1 . . . . 107 TRP HA . 18319 1 1304 . 1 1 107 107 TRP HB2 H 1 3.341 0.04 . 2 . . . . 107 TRP HB2 . 18319 1 1305 . 1 1 107 107 TRP HB3 H 1 3.208 0.04 . 2 . . . . 107 TRP HB3 . 18319 1 1306 . 1 1 107 107 TRP HD1 H 1 7.097 0.04 . 1 . . . . 107 TRP HD1 . 18319 1 1307 . 1 1 107 107 TRP HE1 H 1 9.864 0.04 . 1 . . . . 107 TRP HE1 . 18319 1 1308 . 1 1 107 107 TRP HZ2 H 1 7.265 0.04 . 1 . . . . 107 TRP HZ2 . 18319 1 1309 . 1 1 107 107 TRP HH2 H 1 6.972 0.04 . 1 . . . . 107 TRP HH2 . 18319 1 1310 . 1 1 107 107 TRP C C 13 176.966 0.03 . 1 . . . . 107 TRP C . 18319 1 1311 . 1 1 107 107 TRP CA C 13 59.799 0.03 . 1 . . . . 107 TRP CA . 18319 1 1312 . 1 1 107 107 TRP CB C 13 29.776 0.03 . 1 . . . . 107 TRP CB . 18319 1 1313 . 1 1 107 107 TRP N N 15 120.391 0.45 . 1 . . . . 107 TRP N . 18319 1 1314 . 1 1 107 107 TRP NE1 N 15 128.128 0.45 . 1 . . . . 107 TRP NE1 . 18319 1 1315 . 1 1 108 108 ILE H H 1 7.764 0.04 . 1 . . . . 108 ILE H . 18319 1 1316 . 1 1 108 108 ILE HA H 1 3.695 0.04 . 1 . . . . 108 ILE HA . 18319 1 1317 . 1 1 108 108 ILE HB H 1 1.656 0.04 . 1 . . . . 108 ILE HB . 18319 1 1318 . 1 1 108 108 ILE HG12 H 1 1.319 0.04 . 2 . . . . 108 ILE HG12 . 18319 1 1319 . 1 1 108 108 ILE HG13 H 1 0.943 0.04 . 2 . . . . 108 ILE HG13 . 18319 1 1320 . 1 1 108 108 ILE HG21 H 1 0.466 0.04 . 1 . . . . 108 ILE HG2 . 18319 1 1321 . 1 1 108 108 ILE HG22 H 1 0.466 0.04 . 1 . . . . 108 ILE HG2 . 18319 1 1322 . 1 1 108 108 ILE HG23 H 1 0.466 0.04 . 1 . . . . 108 ILE HG2 . 18319 1 1323 . 1 1 108 108 ILE HD11 H 1 0.666 0.04 . 1 . . . . 108 ILE HD1 . 18319 1 1324 . 1 1 108 108 ILE HD12 H 1 0.666 0.04 . 1 . . . . 108 ILE HD1 . 18319 1 1325 . 1 1 108 108 ILE HD13 H 1 0.666 0.04 . 1 . . . . 108 ILE HD1 . 18319 1 1326 . 1 1 108 108 ILE C C 13 177.551 0.03 . 1 . . . . 108 ILE C . 18319 1 1327 . 1 1 108 108 ILE CA C 13 63.339 0.03 . 1 . . . . 108 ILE CA . 18319 1 1328 . 1 1 108 108 ILE CB C 13 37.684 0.03 . 1 . . . . 108 ILE CB . 18319 1 1329 . 1 1 108 108 ILE CG1 C 13 28.028 0.03 . 1 . . . . 108 ILE CG1 . 18319 1 1330 . 1 1 108 108 ILE CG2 C 13 17.056 0.03 . 1 . . . . 108 ILE CG2 . 18319 1 1331 . 1 1 108 108 ILE CD1 C 13 12.963 0.03 . 1 . . . . 108 ILE CD1 . 18319 1 1332 . 1 1 108 108 ILE N N 15 117.284 0.45 . 1 . . . . 108 ILE N . 18319 1 1333 . 1 1 109 109 PHE H H 1 7.699 0.04 . 1 . . . . 109 PHE H . 18319 1 1334 . 1 1 109 109 PHE HA H 1 4.381 0.04 . 1 . . . . 109 PHE HA . 18319 1 1335 . 1 1 109 109 PHE HB2 H 1 3.168 0.04 . 1 . . . . 109 PHE HB2 . 18319 1 1336 . 1 1 109 109 PHE HB3 H 1 3.168 0.04 . 1 . . . . 109 PHE HB3 . 18319 1 1337 . 1 1 109 109 PHE HD1 H 1 7.157 0.04 . 1 . . . . 109 PHE HD1 . 18319 1 1338 . 1 1 109 109 PHE HD2 H 1 7.157 0.04 . 1 . . . . 109 PHE HD2 . 18319 1 1339 . 1 1 109 109 PHE C C 13 177.289 0.03 . 1 . . . . 109 PHE C . 18319 1 1340 . 1 1 109 109 PHE CA C 13 59.804 0.03 . 1 . . . . 109 PHE CA . 18319 1 1341 . 1 1 109 109 PHE CB C 13 38.513 0.03 . 1 . . . . 109 PHE CB . 18319 1 1342 . 1 1 109 109 PHE N N 15 119.860 0.45 . 1 . . . . 109 PHE N . 18319 1 1343 . 1 1 110 110 GLY H H 1 8.067 0.04 . 1 . . . . 110 GLY H . 18319 1 1344 . 1 1 110 110 GLY HA2 H 1 3.668 0.04 . 1 . . . . 110 GLY HA2 . 18319 1 1345 . 1 1 110 110 GLY HA3 H 1 3.668 0.04 . 1 . . . . 110 GLY HA3 . 18319 1 1346 . 1 1 110 110 GLY C C 13 174.728 0.03 . 1 . . . . 110 GLY C . 18319 1 1347 . 1 1 110 110 GLY CA C 13 46.802 0.03 . 1 . . . . 110 GLY CA . 18319 1 1348 . 1 1 110 110 GLY N N 15 107.841 0.45 . 1 . . . . 110 GLY N . 18319 1 1349 . 1 1 111 111 GLU H H 1 8.192 0.04 . 1 . . . . 111 GLU H . 18319 1 1350 . 1 1 111 111 GLU HA H 1 3.973 0.04 . 1 . . . . 111 GLU HA . 18319 1 1351 . 1 1 111 111 GLU HB2 H 1 2.025 0.04 . 1 . . . . 111 GLU HB2 . 18319 1 1352 . 1 1 111 111 GLU HB3 H 1 2.025 0.04 . 1 . . . . 111 GLU HB3 . 18319 1 1353 . 1 1 111 111 GLU HG2 H 1 2.293 0.04 . 1 . . . . 111 GLU HG2 . 18319 1 1354 . 1 1 111 111 GLU HG3 H 1 2.293 0.04 . 1 . . . . 111 GLU HG3 . 18319 1 1355 . 1 1 111 111 GLU C C 13 177.570 0.03 . 1 . . . . 111 GLU C . 18319 1 1356 . 1 1 111 111 GLU CA C 13 58.442 0.03 . 1 . . . . 111 GLU CA . 18319 1 1357 . 1 1 111 111 GLU CB C 13 28.614 0.03 . 1 . . . . 111 GLU CB . 18319 1 1358 . 1 1 111 111 GLU CG C 13 33.936 0.03 . 1 . . . . 111 GLU CG . 18319 1 1359 . 1 1 111 111 GLU N N 15 119.817 0.45 . 1 . . . . 111 GLU N . 18319 1 1360 . 1 1 112 112 THR H H 1 7.775 0.04 . 1 . . . . 112 THR H . 18319 1 1361 . 1 1 112 112 THR HA H 1 3.884 0.04 . 1 . . . . 112 THR HA . 18319 1 1362 . 1 1 112 112 THR HB H 1 4.118 0.04 . 1 . . . . 112 THR HB . 18319 1 1363 . 1 1 112 112 THR HG21 H 1 1.073 0.04 . 1 . . . . 112 THR HG2 . 18319 1 1364 . 1 1 112 112 THR HG22 H 1 1.073 0.04 . 1 . . . . 112 THR HG2 . 18319 1 1365 . 1 1 112 112 THR HG23 H 1 1.073 0.04 . 1 . . . . 112 THR HG2 . 18319 1 1366 . 1 1 112 112 THR C C 13 175.617 0.03 . 1 . . . . 112 THR C . 18319 1 1367 . 1 1 112 112 THR CA C 13 65.211 0.03 . 1 . . . . 112 THR CA . 18319 1 1368 . 1 1 112 112 THR CB C 13 68.959 0.03 . 1 . . . . 112 THR CB . 18319 1 1369 . 1 1 112 112 THR CG2 C 13 21.652 0.03 . 1 . . . . 112 THR CG2 . 18319 1 1370 . 1 1 112 112 THR N N 15 113.647 0.45 . 1 . . . . 112 THR N . 18319 1 1371 . 1 1 113 113 LEU H H 1 7.887 0.04 . 1 . . . . 113 LEU H . 18319 1 1372 . 1 1 113 113 LEU HA H 1 4.016 0.04 . 1 . . . . 113 LEU HA . 18319 1 1373 . 1 1 113 113 LEU HB2 H 1 1.470 0.04 . 1 . . . . 113 LEU HB2 . 18319 1 1374 . 1 1 113 113 LEU HB3 H 1 1.470 0.04 . 1 . . . . 113 LEU HB3 . 18319 1 1375 . 1 1 113 113 LEU HG H 1 1.614 0.04 . 1 . . . . 113 LEU HG . 18319 1 1376 . 1 1 113 113 LEU HD11 H 1 0.767 0.04 . 2 . . . . 113 LEU HD1 . 18319 1 1377 . 1 1 113 113 LEU HD12 H 1 0.767 0.04 . 2 . . . . 113 LEU HD1 . 18319 1 1378 . 1 1 113 113 LEU HD13 H 1 0.767 0.04 . 2 . . . . 113 LEU HD1 . 18319 1 1379 . 1 1 113 113 LEU HD21 H 1 0.692 0.04 . 2 . . . . 113 LEU HD2 . 18319 1 1380 . 1 1 113 113 LEU HD22 H 1 0.692 0.04 . 2 . . . . 113 LEU HD2 . 18319 1 1381 . 1 1 113 113 LEU HD23 H 1 0.692 0.04 . 2 . . . . 113 LEU HD2 . 18319 1 1382 . 1 1 113 113 LEU C C 13 178.085 0.03 . 1 . . . . 113 LEU C . 18319 1 1383 . 1 1 113 113 LEU CA C 13 57.630 0.03 . 1 . . . . 113 LEU CA . 18319 1 1384 . 1 1 113 113 LEU CB C 13 41.718 0.03 . 1 . . . . 113 LEU CB . 18319 1 1385 . 1 1 113 113 LEU CG C 13 26.912 0.03 . 1 . . . . 113 LEU CG . 18319 1 1386 . 1 1 113 113 LEU CD1 C 13 25.400 0.03 . 1 . . . . 113 LEU CD1 . 18319 1 1387 . 1 1 113 113 LEU CD2 C 13 23.815 0.03 . 1 . . . . 113 LEU CD2 . 18319 1 1388 . 1 1 113 113 LEU N N 15 121.633 0.45 . 1 . . . . 113 LEU N . 18319 1 1389 . 1 1 114 114 CYS H H 1 7.809 0.04 . 1 . . . . 114 CYS H . 18319 1 1390 . 1 1 114 114 CYS HA H 1 4.129 0.04 . 1 . . . . 114 CYS HA . 18319 1 1391 . 1 1 114 114 CYS HB2 H 1 2.813 0.04 . 2 . . . . 114 CYS HB2 . 18319 1 1392 . 1 1 114 114 CYS HB3 H 1 2.768 0.04 . 2 . . . . 114 CYS HB3 . 18319 1 1393 . 1 1 114 114 CYS C C 13 175.433 0.03 . 1 . . . . 114 CYS C . 18319 1 1394 . 1 1 114 114 CYS CA C 13 60.928 0.03 . 1 . . . . 114 CYS CA . 18319 1 1395 . 1 1 114 114 CYS CB C 13 27.284 0.03 . 1 . . . . 114 CYS CB . 18319 1 1396 . 1 1 114 114 CYS N N 15 115.726 0.45 . 1 . . . . 114 CYS N . 18319 1 1397 . 1 1 115 115 LYS H H 1 7.808 0.04 . 1 . . . . 115 LYS H . 18319 1 1398 . 1 1 115 115 LYS HA H 1 4.033 0.04 . 1 . . . . 115 LYS HA . 18319 1 1399 . 1 1 115 115 LYS HB2 H 1 1.618 0.04 . 1 . . . . 115 LYS HB2 . 18319 1 1400 . 1 1 115 115 LYS HB3 H 1 1.618 0.04 . 1 . . . . 115 LYS HB3 . 18319 1 1401 . 1 1 115 115 LYS HG2 H 1 1.307 0.04 . 1 . . . . 115 LYS HG2 . 18319 1 1402 . 1 1 115 115 LYS HG3 H 1 1.307 0.04 . 1 . . . . 115 LYS HG3 . 18319 1 1403 . 1 1 115 115 LYS HD2 H 1 1.530 0.04 . 1 . . . . 115 LYS HD2 . 18319 1 1404 . 1 1 115 115 LYS HD3 H 1 1.530 0.04 . 1 . . . . 115 LYS HD3 . 18319 1 1405 . 1 1 115 115 LYS HE2 H 1 2.821 0.04 . 1 . . . . 115 LYS HE2 . 18319 1 1406 . 1 1 115 115 LYS HE3 H 1 2.821 0.04 . 1 . . . . 115 LYS HE3 . 18319 1 1407 . 1 1 115 115 LYS C C 13 176.860 0.03 . 1 . . . . 115 LYS C . 18319 1 1408 . 1 1 115 115 LYS CA C 13 57.495 0.03 . 1 . . . . 115 LYS CA . 18319 1 1409 . 1 1 115 115 LYS CB C 13 32.433 0.03 . 1 . . . . 115 LYS CB . 18319 1 1410 . 1 1 115 115 LYS CG C 13 25.059 0.03 . 1 . . . . 115 LYS CG . 18319 1 1411 . 1 1 115 115 LYS CD C 13 29.019 0.03 . 1 . . . . 115 LYS CD . 18319 1 1412 . 1 1 115 115 LYS CE C 13 41.993 0.03 . 1 . . . . 115 LYS CE . 18319 1 1413 . 1 1 115 115 LYS N N 15 119.396 0.45 . 1 . . . . 115 LYS N . 18319 1 1414 . 1 1 116 116 HIS H H 1 7.902 0.04 . 1 . . . . 116 HIS H . 18319 1 1415 . 1 1 116 116 HIS HA H 1 4.514 0.04 . 1 . . . . 116 HIS HA . 18319 1 1416 . 1 1 116 116 HIS HB2 H 1 3.076 0.04 . 2 . . . . 116 HIS HB2 . 18319 1 1417 . 1 1 116 116 HIS HB3 H 1 2.987 0.04 . 2 . . . . 116 HIS HB3 . 18319 1 1418 . 1 1 116 116 HIS HD2 H 1 7.114 0.04 . 1 . . . . 116 HIS HD2 . 18319 1 1419 . 1 1 116 116 HIS HE1 H 1 8.331 0.04 . 1 . . . . 116 HIS HE1 . 18319 1 1420 . 1 1 116 116 HIS C C 13 173.492 0.03 . 1 . . . . 116 HIS C . 18319 1 1421 . 1 1 116 116 HIS CA C 13 55.450 0.03 . 1 . . . . 116 HIS CA . 18319 1 1422 . 1 1 116 116 HIS CB C 13 29.359 0.03 . 1 . . . . 116 HIS CB . 18319 1 1423 . 1 1 116 116 HIS CD2 C 13 119.698 0.03 . 1 . . . . 116 HIS CD2 . 18319 1 1424 . 1 1 116 116 HIS CE1 C 13 136.765 0.03 . 1 . . . . 116 HIS CE1 . 18319 1 1425 . 1 1 116 116 HIS N N 15 116.460 0.45 . 1 . . . . 116 HIS N . 18319 1 1426 . 1 1 117 117 HIS H H 1 8.070 0.04 . 1 . . . . 117 HIS H . 18319 1 1427 . 1 1 117 117 HIS HA H 1 4.333 0.04 . 1 . . . . 117 HIS HA . 18319 1 1428 . 1 1 117 117 HIS HB2 H 1 2.993 0.04 . 2 . . . . 117 HIS HB2 . 18319 1 1429 . 1 1 117 117 HIS HB3 H 1 3.128 0.04 . 2 . . . . 117 HIS HB3 . 18319 1 1430 . 1 1 117 117 HIS HD2 H 1 7.151 0.04 . 1 . . . . 117 HIS HD2 . 18319 1 1431 . 1 1 117 117 HIS HE1 H 1 8.390 0.04 . 1 . . . . 117 HIS HE1 . 18319 1 1432 . 1 1 117 117 HIS CA C 13 57.145 0.03 . 1 . . . . 117 HIS CA . 18319 1 1433 . 1 1 117 117 HIS CB C 13 29.764 0.03 . 1 . . . . 117 HIS CB . 18319 1 1434 . 1 1 117 117 HIS CD2 C 13 120.161 0.03 . 1 . . . . 117 HIS CD2 . 18319 1 1435 . 1 1 117 117 HIS CE1 C 13 136.148 0.03 . 1 . . . . 117 HIS CE1 . 18319 1 1436 . 1 1 117 117 HIS N N 15 125.037 0.45 . 1 . . . . 117 HIS N . 18319 1 stop_ save_