data_6590 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6590 _Entry.Title ; 1H, 13C, and 15N Chemical Shifts Assignments for Human Sulfiredoxin (srx) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2005-04-12 _Entry.Accession_date 2005-04-12 _Entry.Last_release_date 2005-10-26 _Entry.Original_release_date 2005-10-26 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _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 James Gruschus . M. . 6590 2 Duck-Yeon Lee . . . 6590 3 Sue-Goo Rhee . . . 6590 4 James Ferretti . A. . 6590 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6590 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 401 6590 '15N chemical shifts' 118 6590 '1H chemical shifts' 820 6590 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 . . 2005-10-26 2005-04-12 original author . 6590 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6590 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title '1H, 15N, and 13C Chemical Shift Assignments of the Human Sulfiredoxin (hSrx)' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 32 _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 339 _Citation.Page_last 339 _Citation.Year 2005 _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 Duck-Yeon Lee . . . 6590 1 2 Sue-Goo Rhee . . . 6590 1 3 James Ferretti . . . 6590 1 4 James Gruschus . M. . 6590 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 6590 _Assembly.ID 1 _Assembly.Name 'srx monomer' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites no _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _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 'srx monomer' 1 $srx . . yes native no no . . . 6590 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_srx _Entity.Sf_category entity _Entity.Sf_framecode srx _Entity.Entry_ID 6590 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name sulfiredoxin _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 ; GAPEGPGPSGGAQGGSIHSG RIAAVHNVPLSVLIRPLPSV LDPAKVQSLVDTIREDPDSV PPIDVLWIKGAQGGDYFYSF GGCHRYAAYQQLQRETIPAK LVQSTLSDLRVYLGASTPDL Q ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'residues 17-137 of full length protein' _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 1 _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 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1XW3 . "Crystal Structure Of Human Sulfiredoxin (srx)" . . . . . 87.60 110 100.00 100.00 1.00e-68 . . . . 6590 1 2 no PDB 1XW4 . "Crystal Structure Of Human Sulfiredoxin (Srx) In Complex With Adp" . . . . . 87.60 110 99.06 99.06 3.95e-67 . . . . 6590 1 3 no PDB 1YZS . "Solution Structure Of Human Sulfiredoxin (Srx)" . . . . . 100.00 121 100.00 100.00 8.83e-80 . . . . 6590 1 4 no PDB 2B6F . "Solution Structure Of Human Sulfiredoxin (Srx)" . . . . . 100.00 121 100.00 100.00 8.83e-80 . . . . 6590 1 5 no PDB 2RII . "Crystal Structure Of Human Peroxiredoxin I In Complex With Sulfiredoxin" . . . . . 87.60 110 100.00 100.00 1.00e-68 . . . . 6590 1 6 no PDB 3CYI . "Crystal Structure Of Human Sulfiredoxin (Srx) In Complex With Atp:mg2+" . . . . . 87.60 110 99.06 99.06 2.01e-67 . . . . 6590 1 7 no PDB 3HY2 . "Crystal Structure Of Sulfiredoxin In Complex With Peroxiredoxin I And Atp:mg2+" . . . . . 87.60 110 98.11 98.11 6.37e-66 . . . . 6590 1 8 no DBJ BAG34990 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 137 100.00 100.00 9.79e-80 . . . . 6590 1 9 no EMBL CAD38799 . "hypothetical protein [Homo sapiens]" . . . . . 100.00 137 100.00 100.00 9.79e-80 . . . . 6590 1 10 no EMBL CAL38018 . "hypothetical protein [synthetic construct]" . . . . . 100.00 137 100.00 100.00 9.79e-80 . . . . 6590 1 11 no EMBL CAL38719 . "hypothetical protein [synthetic construct]" . . . . . 100.00 137 100.00 100.00 9.79e-80 . . . . 6590 1 12 no GB AAH17001 . "SRXN1 protein, partial [Homo sapiens]" . . . . . 100.00 130 100.00 100.00 8.89e-80 . . . . 6590 1 13 no GB AAH32604 . "Sulfiredoxin 1 homolog (S. cerevisiae) [Homo sapiens]" . . . . . 100.00 137 100.00 100.00 9.79e-80 . . . . 6590 1 14 no GB AAH47707 . "Sulfiredoxin 1 homolog (S. cerevisiae) [Homo sapiens]" . . . . . 100.00 137 100.00 100.00 9.79e-80 . . . . 6590 1 15 no GB EFB29583 . "hypothetical protein PANDA_014961 [Ailuropoda melanoleuca]" . . . . . 80.17 97 100.00 100.00 2.98e-62 . . . . 6590 1 16 no REF NP_542763 . "sulfiredoxin-1 [Homo sapiens]" . . . . . 100.00 137 100.00 100.00 9.79e-80 . . . . 6590 1 17 no REF XP_002830202 . "PREDICTED: sulfiredoxin-1 [Pongo abelii]" . . . . . 100.00 137 98.35 99.17 7.45e-78 . . . . 6590 1 18 no REF XP_002925451 . "PREDICTED: sulfiredoxin-1-like [Ailuropoda melanoleuca]" . . . . . 80.17 169 100.00 100.00 3.58e-61 . . . . 6590 1 19 no REF XP_003273506 . "PREDICTED: sulfiredoxin-1 [Nomascus leucogenys]" . . . . . 100.00 161 98.35 99.17 1.52e-78 . . . . 6590 1 20 no REF XP_003476813 . "PREDICTED: sulfiredoxin-1 [Cavia porcellus]" . . . . . 86.78 139 97.14 99.05 1.58e-65 . . . . 6590 1 21 no SP Q9BYN0 . "RecName: Full=Sulfiredoxin-1 [Homo sapiens]" . . . . . 100.00 137 100.00 100.00 9.79e-80 . . . . 6590 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLY . 6590 1 2 . ALA . 6590 1 3 . PRO . 6590 1 4 . GLU . 6590 1 5 . GLY . 6590 1 6 . PRO . 6590 1 7 . GLY . 6590 1 8 . PRO . 6590 1 9 . SER . 6590 1 10 . GLY . 6590 1 11 . GLY . 6590 1 12 . ALA . 6590 1 13 . GLN . 6590 1 14 . GLY . 6590 1 15 . GLY . 6590 1 16 . SER . 6590 1 17 . ILE . 6590 1 18 . HIS . 6590 1 19 . SER . 6590 1 20 . GLY . 6590 1 21 . ARG . 6590 1 22 . ILE . 6590 1 23 . ALA . 6590 1 24 . ALA . 6590 1 25 . VAL . 6590 1 26 . HIS . 6590 1 27 . ASN . 6590 1 28 . VAL . 6590 1 29 . PRO . 6590 1 30 . LEU . 6590 1 31 . SER . 6590 1 32 . VAL . 6590 1 33 . LEU . 6590 1 34 . ILE . 6590 1 35 . ARG . 6590 1 36 . PRO . 6590 1 37 . LEU . 6590 1 38 . PRO . 6590 1 39 . SER . 6590 1 40 . VAL . 6590 1 41 . LEU . 6590 1 42 . ASP . 6590 1 43 . PRO . 6590 1 44 . ALA . 6590 1 45 . LYS . 6590 1 46 . VAL . 6590 1 47 . GLN . 6590 1 48 . SER . 6590 1 49 . LEU . 6590 1 50 . VAL . 6590 1 51 . ASP . 6590 1 52 . THR . 6590 1 53 . ILE . 6590 1 54 . ARG . 6590 1 55 . GLU . 6590 1 56 . ASP . 6590 1 57 . PRO . 6590 1 58 . ASP . 6590 1 59 . SER . 6590 1 60 . VAL . 6590 1 61 . PRO . 6590 1 62 . PRO . 6590 1 63 . ILE . 6590 1 64 . ASP . 6590 1 65 . VAL . 6590 1 66 . LEU . 6590 1 67 . TRP . 6590 1 68 . ILE . 6590 1 69 . LYS . 6590 1 70 . GLY . 6590 1 71 . ALA . 6590 1 72 . GLN . 6590 1 73 . GLY . 6590 1 74 . GLY . 6590 1 75 . ASP . 6590 1 76 . TYR . 6590 1 77 . PHE . 6590 1 78 . TYR . 6590 1 79 . SER . 6590 1 80 . PHE . 6590 1 81 . GLY . 6590 1 82 . GLY . 6590 1 83 . CYS . 6590 1 84 . HIS . 6590 1 85 . ARG . 6590 1 86 . TYR . 6590 1 87 . ALA . 6590 1 88 . ALA . 6590 1 89 . TYR . 6590 1 90 . GLN . 6590 1 91 . GLN . 6590 1 92 . LEU . 6590 1 93 . GLN . 6590 1 94 . ARG . 6590 1 95 . GLU . 6590 1 96 . THR . 6590 1 97 . ILE . 6590 1 98 . PRO . 6590 1 99 . ALA . 6590 1 100 . LYS . 6590 1 101 . LEU . 6590 1 102 . VAL . 6590 1 103 . GLN . 6590 1 104 . SER . 6590 1 105 . THR . 6590 1 106 . LEU . 6590 1 107 . SER . 6590 1 108 . ASP . 6590 1 109 . LEU . 6590 1 110 . ARG . 6590 1 111 . VAL . 6590 1 112 . TYR . 6590 1 113 . LEU . 6590 1 114 . GLY . 6590 1 115 . ALA . 6590 1 116 . SER . 6590 1 117 . THR . 6590 1 118 . PRO . 6590 1 119 . ASP . 6590 1 120 . LEU . 6590 1 121 . GLN . 6590 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 6590 1 . ALA 2 2 6590 1 . PRO 3 3 6590 1 . GLU 4 4 6590 1 . GLY 5 5 6590 1 . PRO 6 6 6590 1 . GLY 7 7 6590 1 . PRO 8 8 6590 1 . SER 9 9 6590 1 . GLY 10 10 6590 1 . GLY 11 11 6590 1 . ALA 12 12 6590 1 . GLN 13 13 6590 1 . GLY 14 14 6590 1 . GLY 15 15 6590 1 . SER 16 16 6590 1 . ILE 17 17 6590 1 . HIS 18 18 6590 1 . SER 19 19 6590 1 . GLY 20 20 6590 1 . ARG 21 21 6590 1 . ILE 22 22 6590 1 . ALA 23 23 6590 1 . ALA 24 24 6590 1 . VAL 25 25 6590 1 . HIS 26 26 6590 1 . ASN 27 27 6590 1 . VAL 28 28 6590 1 . PRO 29 29 6590 1 . LEU 30 30 6590 1 . SER 31 31 6590 1 . VAL 32 32 6590 1 . LEU 33 33 6590 1 . ILE 34 34 6590 1 . ARG 35 35 6590 1 . PRO 36 36 6590 1 . LEU 37 37 6590 1 . PRO 38 38 6590 1 . SER 39 39 6590 1 . VAL 40 40 6590 1 . LEU 41 41 6590 1 . ASP 42 42 6590 1 . PRO 43 43 6590 1 . ALA 44 44 6590 1 . LYS 45 45 6590 1 . VAL 46 46 6590 1 . GLN 47 47 6590 1 . SER 48 48 6590 1 . LEU 49 49 6590 1 . VAL 50 50 6590 1 . ASP 51 51 6590 1 . THR 52 52 6590 1 . ILE 53 53 6590 1 . ARG 54 54 6590 1 . GLU 55 55 6590 1 . ASP 56 56 6590 1 . PRO 57 57 6590 1 . ASP 58 58 6590 1 . SER 59 59 6590 1 . VAL 60 60 6590 1 . PRO 61 61 6590 1 . PRO 62 62 6590 1 . ILE 63 63 6590 1 . ASP 64 64 6590 1 . VAL 65 65 6590 1 . LEU 66 66 6590 1 . TRP 67 67 6590 1 . ILE 68 68 6590 1 . LYS 69 69 6590 1 . GLY 70 70 6590 1 . ALA 71 71 6590 1 . GLN 72 72 6590 1 . GLY 73 73 6590 1 . GLY 74 74 6590 1 . ASP 75 75 6590 1 . TYR 76 76 6590 1 . PHE 77 77 6590 1 . TYR 78 78 6590 1 . SER 79 79 6590 1 . PHE 80 80 6590 1 . GLY 81 81 6590 1 . GLY 82 82 6590 1 . CYS 83 83 6590 1 . HIS 84 84 6590 1 . ARG 85 85 6590 1 . TYR 86 86 6590 1 . ALA 87 87 6590 1 . ALA 88 88 6590 1 . TYR 89 89 6590 1 . GLN 90 90 6590 1 . GLN 91 91 6590 1 . LEU 92 92 6590 1 . GLN 93 93 6590 1 . ARG 94 94 6590 1 . GLU 95 95 6590 1 . THR 96 96 6590 1 . ILE 97 97 6590 1 . PRO 98 98 6590 1 . ALA 99 99 6590 1 . LYS 100 100 6590 1 . LEU 101 101 6590 1 . VAL 102 102 6590 1 . GLN 103 103 6590 1 . SER 104 104 6590 1 . THR 105 105 6590 1 . LEU 106 106 6590 1 . SER 107 107 6590 1 . ASP 108 108 6590 1 . LEU 109 109 6590 1 . ARG 110 110 6590 1 . VAL 111 111 6590 1 . TYR 112 112 6590 1 . LEU 113 113 6590 1 . GLY 114 114 6590 1 . ALA 115 115 6590 1 . SER 116 116 6590 1 . THR 117 117 6590 1 . PRO 118 118 6590 1 . ASP 119 119 6590 1 . LEU 120 120 6590 1 . GLN 121 121 6590 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 6590 _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 $srx . 9606 organism . 'Homo sapiens' human . . Eukaryota Metazoa homo sapiens . . . . . . . . . . . . . . . . . . . . . 6590 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 6590 _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 $srx . 'recombinant technology' . 'E. coli' . . . . . . . . . . . . . . . . . . . . . . . . . . . 6590 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6590 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 sulfiredoxin [U-15N] . . 1 $srx . . 0.7 . . mM 0.1 . . . 6590 1 2 'sodium phosphate' . . . . . . . 50 . . mM 1 . . . 6590 1 3 NaCl . . . . . . . 100 . . mM 1 . . . 6590 1 4 DTT . . . . . . . 2 . . mM .1 . . . 6590 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 6590 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 sulfiredoxin '[U-15N; U-13C]' . . 1 $srx . . 0.7 . . mM 0.1 . . . 6590 2 2 'sodium phosphate' . . . . . . . 50 . . mM 1 . . . 6590 2 3 NaCl . . . . . . . 100 . . mM 1 . . . 6590 2 4 DTT . . . . . . . 2 . . mM .1 . . . 6590 2 stop_ save_ ####################### # Sample conditions # ####################### save_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode conditions_1 _Sample_condition_list.Entry_ID 6590 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 7.3 .1 pH 6590 1 temperature 300 .1 K 6590 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 6590 _Software.ID 1 _Software.Name xwinnmr _Software.Version 3.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Bruker . . 6590 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 6590 _Software.ID 2 _Software.Name NMRPipe _Software.Version '2.3 rev 2004.184.22.03' _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID NIH . . 6590 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_800MHz_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 800MHz_spectrometer _NMR_spectrometer.Entry_ID 6590 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ ############################# # NMR applied experiments # ############################# save_NMR_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode NMR_experiment_list _Experiment_list.Entry_ID 6590 _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 1H15N_HSQC no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $conditions_1 . . . 1 $800MHz_spectrometer . . . . . . . . . . . . . . . . 6590 1 2 15N_edited_1H_NOESY_HSQC no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $conditions_1 . . . 1 $800MHz_spectrometer . . . . . . . . . . . . . . . . 6590 1 3 1H13C_CT_HSQC no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $conditions_1 . . . 1 $800MHz_spectrometer . . . . . . . . . . . . . . . . 6590 1 4 1H13C_HMQC no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $conditions_1 . . . 1 $800MHz_spectrometer . . . . . . . . . . . . . . . . 6590 1 5 HNCACB no . . . . . . . . . . 2 . isotropic . . 1 $conditions_1 . . . 1 $800MHz_spectrometer . . . . . . . . . . . . . . . . 6590 1 6 CBCA(CO)NH no . . . . . . . . . . 2 . isotropic . . 1 $conditions_1 . . . 1 $800MHz_spectrometer . . . . . . . . . . . . . . . . 6590 1 7 13C_edited_1H_NOESY_shortCT_HSQC no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $conditions_1 . . . 1 $800MHz_spectrometer . . . . . . . . . . . . . . . . 6590 1 8 13C_edited_1H_NOESY_HMQC no . . . . . . . . . . 2 . isotropic . . 1 $conditions_1 . . . 1 $800MHz_spectrometer . . . . . . . . . . . . . . . . 6590 1 stop_ save_ save_13C_edited_1H_NOESY_shortCT_HSQC _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 13C_edited_1H_NOESY_shortCT_HSQC _NMR_spec_expt.Entry_ID 6590 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name 13C_edited_1H_NOESY_shortCT_HSQC _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $800MHz_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $software_1 _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_1H15N_HSQC _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 1H15N_HSQC _NMR_spec_expt.Entry_ID 6590 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name 1H15N_HSQC _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $800MHz_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $software_1 _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_15N_edited_1H_NOESY_HSQC _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 15N_edited_1H_NOESY_HSQC _NMR_spec_expt.Entry_ID 6590 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name 15N_edited_1H_NOESY_HSQC _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $800MHz_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $software_1 _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_1H13C_HMQC _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 1H13C_HMQC _NMR_spec_expt.Entry_ID 6590 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name 1H13C_HMQC _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $800MHz_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $software_1 _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_1H13C_CT_HSQC _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 1H13C_CT_HSQC _NMR_spec_expt.Entry_ID 6590 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name 1H13C_CT_HSQC _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $800MHz_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $software_1 _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_CBCA(CO)NH _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode CBCA(CO)NH _NMR_spec_expt.Entry_ID 6590 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name CBCA(CO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $800MHz_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_HNCACB _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode HNCACB _NMR_spec_expt.Entry_ID 6590 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name HNCACB _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $800MHz_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_13C_edited_1H_NOESY_HMQC _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 13C_edited_1H_NOESY_HMQC _NMR_spec_expt.Entry_ID 6590 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name 13C_edited_1H_NOESY_HMQC _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $800MHz_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_referencing _Chem_shift_reference.Entry_ID 6590 _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 TSP 'methyl protons' . . . . ppm 0 external indirect 0.25144952 . . . . . . . . . 6590 1 H 1 TSP 'methyl protons' . . . . ppm 0 external direct 1 . . . . . . . . . 6590 1 N 15 TSP 'methyl protons' . . . . ppm 0 external indirect 0.10132905 . . . . . . . . . 6590 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 6590 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing _Assigned_chem_shift_list.Chem_shift_1H_err 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.3 _Assigned_chem_shift_list.Chem_shift_15N_err 0.1 _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 1H15N_HSQC 1 $sample_1 isotropic 6590 1 2 15N_edited_1H_NOESY_HSQC 1 $sample_1 isotropic 6590 1 3 1H13C_CT_HSQC 2 $sample_2 isotropic 6590 1 4 1H13C_HMQC 2 $sample_2 isotropic 6590 1 5 HNCACB 2 $sample_2 isotropic 6590 1 6 CBCA(CO)NH 2 $sample_2 isotropic 6590 1 7 13C_edited_1H_NOESY_shortCT_HSQC 2 $sample_2 isotropic 6590 1 8 13C_edited_1H_NOESY_HMQC 2 $sample_2 isotropic 6590 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 6590 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 GLY CA C 13 44.55 0.3 . 1 . . . . 1 GLY CA . 6590 1 2 . 1 1 2 2 ALA H H 1 7.99 0.02 . 1 . . . . 2 ALA H . 6590 1 3 . 1 1 2 2 ALA HA H 1 4.58 0.02 . 1 . . . . 2 ALA HA . 6590 1 4 . 1 1 2 2 ALA HB1 H 1 1.34 0.02 . 1 . . . . 2 ALA HB . 6590 1 5 . 1 1 2 2 ALA HB2 H 1 1.34 0.02 . 1 . . . . 2 ALA HB . 6590 1 6 . 1 1 2 2 ALA HB3 H 1 1.34 0.02 . 1 . . . . 2 ALA HB . 6590 1 7 . 1 1 2 2 ALA CA C 13 50.81 0.3 . 1 . . . . 2 ALA CA . 6590 1 8 . 1 1 2 2 ALA CB C 13 18.66 0.3 . 1 . . . . 2 ALA CB . 6590 1 9 . 1 1 2 2 ALA N N 15 124.67 0.1 . 1 . . . . 2 ALA N . 6590 1 10 . 1 1 3 3 PRO HA H 1 4.39 0.02 . 1 . . . . 3 PRO HA . 6590 1 11 . 1 1 3 3 PRO HD2 H 1 3.62 0.02 . 2 . . . . 3 PRO HD2 . 6590 1 12 . 1 1 3 3 PRO HD3 H 1 3.77 0.02 . 2 . . . . 3 PRO HD3 . 6590 1 13 . 1 1 3 3 PRO CA C 13 62.90 0.3 . 1 . . . . 3 PRO CA . 6590 1 14 . 1 1 3 3 PRO CB C 13 31.72 0.3 . 1 . . . . 3 PRO CB . 6590 1 15 . 1 1 3 3 PRO CD C 13 50.81 0.3 . 1 . . . . 3 PRO CD . 6590 1 16 . 1 1 4 4 GLU H H 1 8.52 0.02 . 1 . . . . 4 GLU H . 6590 1 17 . 1 1 4 4 GLU HA H 1 4.28 0.02 . 1 . . . . 4 GLU HA . 6590 1 18 . 1 1 4 4 GLU HB2 H 1 2.04 0.02 . 2 . . . . 4 GLU HB2 . 6590 1 19 . 1 1 4 4 GLU HB3 H 1 1.92 0.02 . 2 . . . . 4 GLU HB3 . 6590 1 20 . 1 1 4 4 GLU HG2 H 1 2.27 0.02 . 1 . . . . 4 GLU HG2 . 6590 1 21 . 1 1 4 4 GLU HG3 H 1 2.27 0.02 . 1 . . . . 4 GLU HG3 . 6590 1 22 . 1 1 4 4 GLU CA C 13 56.99 0.02 . 1 . . . . 4 GLU CA . 6590 1 23 . 1 1 4 4 GLU CB C 13 30.97 0.02 . 1 . . . . 4 GLU CB . 6590 1 24 . 1 1 4 4 GLU CG C 13 36.82 0.02 . 1 . . . . 4 GLU CG . 6590 1 25 . 1 1 4 4 GLU N N 15 121.71 0.1 . 1 . . . . 4 GLU N . 6590 1 26 . 1 1 5 5 GLY H H 1 8.21 0.02 . 1 . . . . 5 GLY H . 6590 1 27 . 1 1 5 5 GLY HA2 H 1 4.08 0.02 . 1 . . . . 5 GLY HA2 . 6590 1 28 . 1 1 5 5 GLY HA3 H 1 4.08 0.02 . 1 . . . . 5 GLY HA3 . 6590 1 29 . 1 1 5 5 GLY CA C 13 44.28 0.3 . 1 . . . . 5 GLY CA . 6590 1 30 . 1 1 5 5 GLY N N 15 110.85 0.1 . 1 . . . . 5 GLY N . 6590 1 31 . 1 1 6 6 PRO HA H 1 4.45 0.02 . 1 . . . . 6 PRO HA . 6590 1 32 . 1 1 6 6 PRO HB2 H 1 2.27 0.02 . 2 . . . . 6 PRO HB2 . 6590 1 33 . 1 1 6 6 PRO HB3 H 1 1.98 0.02 . 2 . . . . 6 PRO HB3 . 6590 1 34 . 1 1 6 6 PRO HD2 H 1 3.62 0.02 . 5 . . . . 6 PRO HD2 . 6590 1 35 . 1 1 6 6 PRO HD3 H 1 3.59 0.02 . 5 . . . . 6 PRO HD3 . 6590 1 36 . 1 1 6 6 PRO CA C 13 62.90 0.3 . 1 . . . . 6 PRO CA . 6590 1 37 . 1 1 6 6 PRO CB C 13 32.04 0.3 . 1 . . . . 6 PRO CB . 6590 1 38 . 1 1 6 6 PRO CD C 13 49.85 0.3 . 5 . . . . 6 PRO CD . 6590 1 39 . 1 1 7 7 GLY H H 1 8.30 0.02 . 1 . . . . 7 GLY H . 6590 1 40 . 1 1 7 7 GLY HA2 H 1 4.06 0.02 . 1 . . . . 7 GLY HA2 . 6590 1 41 . 1 1 7 7 GLY HA3 H 1 4.06 0.02 . 1 . . . . 7 GLY HA3 . 6590 1 42 . 1 1 7 7 GLY CA C 13 44.26 0.3 . 1 . . . . 7 GLY CA . 6590 1 43 . 1 1 7 7 GLY N N 15 109.87 0.1 . 1 . . . . 7 GLY N . 6590 1 44 . 1 1 8 8 PRO HA H 1 4.42 0.02 . 5 . . . . 8 PRO HA . 6590 1 45 . 1 1 8 8 PRO HD2 H 1 3.63 0.02 . 5 . . . . 8 PRO HD2 . 6590 1 46 . 1 1 8 8 PRO HD3 H 1 3.59 0.02 . 5 . . . . 8 PRO HD3 . 6590 1 47 . 1 1 8 8 PRO CA C 13 62.90 0.3 . 1 . . . . 8 PRO CA . 6590 1 48 . 1 1 8 8 PRO CB C 13 32.15 0.3 . 1 . . . . 8 PRO CB . 6590 1 49 . 1 1 8 8 PRO CD C 13 49.84 0.3 . 5 . . . . 8 PRO CD . 6590 1 50 . 1 1 9 9 SER H H 1 8.50 0.02 . 1 . . . . 9 SER H . 6590 1 51 . 1 1 9 9 SER HA H 1 4.44 0.02 . 1 . . . . 9 SER HA . 6590 1 52 . 1 1 9 9 SER HB2 H 1 3.88 0.02 . 9 . . . . 9 SER HB2 . 6590 1 53 . 1 1 9 9 SER HB3 H 1 3.88 0.02 . 9 . . . . 9 SER HB3 . 6590 1 54 . 1 1 9 9 SER CA C 13 58.46 0.3 . 1 . . . . 9 SER CA . 6590 1 55 . 1 1 9 9 SER CB C 13 63.70 0.3 . 1 . . . . 9 SER CB . 6590 1 56 . 1 1 9 9 SER N N 15 117.02 0.1 . 1 . . . . 9 SER N . 6590 1 57 . 1 1 10 10 GLY H H 1 8.41 0.02 . 1 . . . . 10 GLY H . 6590 1 58 . 1 1 10 10 GLY HA2 H 1 3.96 0.02 . 5 . . . . 10 GLY HA2 . 6590 1 59 . 1 1 10 10 GLY HA3 H 1 3.96 0.02 . 5 . . . . 10 GLY HA3 . 6590 1 60 . 1 1 10 10 GLY CA C 13 45.35 0.3 . 1 . . . . 10 GLY CA . 6590 1 61 . 1 1 10 10 GLY N N 15 111.84 0.02 . 1 . . . . 10 GLY N . 6590 1 62 . 1 1 11 11 GLY H H 1 8.18 0.02 . 1 . . . . 11 GLY H . 6590 1 63 . 1 1 11 11 GLY HA2 H 1 3.96 0.02 . 5 . . . . 11 GLY HA2 . 6590 1 64 . 1 1 11 11 GLY HA3 H 1 3.96 0.02 . 5 . . . . 11 GLY HA3 . 6590 1 65 . 1 1 11 11 GLY CA C 13 44.84 0.3 . 1 . . . . 11 GLY CA . 6590 1 66 . 1 1 11 11 GLY N N 15 109.62 0.1 . 1 . . . . 11 GLY N . 6590 1 67 . 1 1 12 12 ALA H H 1 8.24 0.02 . 1 . . . . 12 ALA H . 6590 1 68 . 1 1 12 12 ALA HA H 1 4.30 0.02 . 1 . . . . 12 ALA HA . 6590 1 69 . 1 1 12 12 ALA HB1 H 1 1.35 0.02 . 1 . . . . 12 ALA HB . 6590 1 70 . 1 1 12 12 ALA HB2 H 1 1.35 0.02 . 1 . . . . 12 ALA HB . 6590 1 71 . 1 1 12 12 ALA HB3 H 1 1.35 0.02 . 1 . . . . 12 ALA HB . 6590 1 72 . 1 1 12 12 ALA CA C 13 53.09 0.3 . 1 . . . . 12 ALA CA . 6590 1 73 . 1 1 12 12 ALA CB C 13 18.87 0.3 . 1 . . . . 12 ALA CB . 6590 1 74 . 1 1 12 12 ALA N N 15 124.67 0.1 . 1 . . . . 12 ALA N . 6590 1 75 . 1 1 13 13 GLN H H 1 8.44 0.02 . 1 . . . . 13 GLN H . 6590 1 76 . 1 1 13 13 GLN HA H 1 4.18 0.02 . 1 . . . . 13 GLN HA . 6590 1 77 . 1 1 13 13 GLN HB2 H 1 1.98 0.02 . 1 . . . . 13 GLN HB2 . 6590 1 78 . 1 1 13 13 GLN HB3 H 1 2.13 0.02 . 1 . . . . 13 GLN HB3 . 6590 1 79 . 1 1 13 13 GLN HG2 H 1 2.35 0.02 . 1 . . . . 13 GLN HG2 . 6590 1 80 . 1 1 13 13 GLN HG3 H 1 2.35 0.02 . 1 . . . . 13 GLN HG3 . 6590 1 81 . 1 1 13 13 GLN HE21 H 1 6.83 0.02 . 1 . . . . 13 GLN HE21 . 6590 1 82 . 1 1 13 13 GLN HE22 H 1 7.48 0.02 . 1 . . . . 13 GLN HE22 . 6590 1 83 . 1 1 13 13 GLN CA C 13 57.32 0.3 . 1 . . . . 13 GLN CA . 6590 1 84 . 1 1 13 13 GLN CB C 13 29.67 0.3 . 1 . . . . 13 GLN CB . 6590 1 85 . 1 1 13 13 GLN CG C 13 34.22 0.3 . 1 . . . . 13 GLN CG . 6590 1 86 . 1 1 13 13 GLN N N 15 120.23 0.1 . 1 . . . . 13 GLN N . 6590 1 87 . 1 1 13 13 GLN NE2 N 15 113.32 0.1 . 1 . . . . 13 GLN NE2 . 6590 1 88 . 1 1 14 14 GLY H H 1 8.38 0.02 . 1 . . . . 14 GLY H . 6590 1 89 . 1 1 14 14 GLY HA2 H 1 3.97 0.02 . 5 . . . . 14 GLY HA2 . 6590 1 90 . 1 1 14 14 GLY HA3 H 1 3.96 0.02 . 5 . . . . 14 GLY HA3 . 6590 1 91 . 1 1 14 14 GLY CA C 13 45.15 0.3 . 1 . . . . 14 GLY CA . 6590 1 92 . 1 1 14 14 GLY N N 15 110.61 0.1 . 1 . . . . 14 GLY N . 6590 1 93 . 1 1 15 15 GLY H H 1 8.26 0.02 . 1 . . . . 15 GLY H . 6590 1 94 . 1 1 15 15 GLY HA2 H 1 3.94 0.02 . 5 . . . . 15 GLY HA2 . 6590 1 95 . 1 1 15 15 GLY HA3 H 1 3.94 0.02 . 5 . . . . 15 GLY HA3 . 6590 1 96 . 1 1 15 15 GLY CA C 13 44.98 0.3 . 1 . . . . 15 GLY CA . 6590 1 97 . 1 1 15 15 GLY N N 15 109.62 0.1 . 1 . . . . 15 GLY N . 6590 1 98 . 1 1 16 16 SER H H 1 8.24 0.02 . 1 . . . . 16 SER H . 6590 1 99 . 1 1 16 16 SER HA H 1 4.48 0.02 . 1 . . . . 16 SER HA . 6590 1 100 . 1 1 16 16 SER HB2 H 1 3.83 0.02 . 2 . . . . 16 SER HB2 . 6590 1 101 . 1 1 16 16 SER HB3 H 1 3.81 0.02 . 2 . . . . 16 SER HB3 . 6590 1 102 . 1 1 16 16 SER CA C 13 58.62 0.3 . 1 . . . . 16 SER CA . 6590 1 103 . 1 1 16 16 SER CB C 13 64.47 0.3 . 1 . . . . 16 SER CB . 6590 1 104 . 1 1 16 16 SER N N 15 116.28 0.1 . 1 . . . . 16 SER N . 6590 1 105 . 1 1 17 17 ILE H H 1 8.14 0.02 . 1 . . . . 17 ILE H . 6590 1 106 . 1 1 17 17 ILE HA H 1 4.10 0.02 . 1 . . . . 17 ILE HA . 6590 1 107 . 1 1 17 17 ILE HB H 1 1.76 0.02 . 1 . . . . 17 ILE HB . 6590 1 108 . 1 1 17 17 ILE HG12 H 1 1.22 0.02 . 2 . . . . 17 ILE HG12 . 6590 1 109 . 1 1 17 17 ILE HG13 H 1 1.03 0.02 . 2 . . . . 17 ILE HG13 . 6590 1 110 . 1 1 17 17 ILE HG21 H 1 0.74 0.02 . 1 . . . . 17 ILE HG2 . 6590 1 111 . 1 1 17 17 ILE HG22 H 1 0.74 0.02 . 1 . . . . 17 ILE HG2 . 6590 1 112 . 1 1 17 17 ILE HG23 H 1 0.74 0.02 . 1 . . . . 17 ILE HG2 . 6590 1 113 . 1 1 17 17 ILE HD11 H 1 0.73 0.02 . 1 . . . . 17 ILE HD1 . 6590 1 114 . 1 1 17 17 ILE HD12 H 1 0.73 0.02 . 1 . . . . 17 ILE HD1 . 6590 1 115 . 1 1 17 17 ILE HD13 H 1 0.73 0.02 . 1 . . . . 17 ILE HD1 . 6590 1 116 . 1 1 17 17 ILE CA C 13 61.87 0.3 . 1 . . . . 17 ILE CA . 6590 1 117 . 1 1 17 17 ILE CB C 13 38.77 0.3 . 1 . . . . 17 ILE CB . 6590 1 118 . 1 1 17 17 ILE CG1 C 13 27.39 0.3 . 1 . . . . 17 ILE CG1 . 6590 1 119 . 1 1 17 17 ILE CG2 C 13 17.45 0.3 . 1 . . . . 17 ILE CG2 . 6590 1 120 . 1 1 17 17 ILE CD1 C 13 13.60 0.3 . 1 . . . . 17 ILE CD1 . 6590 1 121 . 1 1 17 17 ILE N N 15 122.70 0.1 . 1 . . . . 17 ILE N . 6590 1 122 . 1 1 18 18 HIS H H 1 8.22 0.02 . 1 . . . . 18 HIS H . 6590 1 123 . 1 1 18 18 HIS HA H 1 4.65 0.02 . 1 . . . . 18 HIS HA . 6590 1 124 . 1 1 18 18 HIS HB2 H 1 3.11 0.02 . 2 . . . . 18 HIS HB2 . 6590 1 125 . 1 1 18 18 HIS HB3 H 1 2.99 0.02 . 2 . . . . 18 HIS HB3 . 6590 1 126 . 1 1 18 18 HIS HD2 H 1 6.93 0.02 . 1 . . . . 18 HIS HD2 . 6590 1 127 . 1 1 18 18 HIS HE1 H 1 7.67 0.02 . 1 . . . . 18 HIS HE1 . 6590 1 128 . 1 1 18 18 HIS CA C 13 56.66 0.3 . 1 . . . . 18 HIS CA . 6590 1 129 . 1 1 18 18 HIS CB C 13 31.62 0.3 . 1 . . . . 18 HIS CB . 6590 1 130 . 1 1 18 18 HIS CD2 C 13 120.78 0.3 . 1 . . . . 18 HIS CD2 . 6590 1 131 . 1 1 18 18 HIS CE1 C 13 139.53 0.3 . 1 . . . . 18 HIS CE1 . 6590 1 132 . 1 1 18 18 HIS N N 15 123.68 0.1 . 1 . . . . 18 HIS N . 6590 1 133 . 1 1 19 19 SER H H 1 8.28 0.02 . 1 . . . . 19 SER H . 6590 1 134 . 1 1 19 19 SER HA H 1 4.38 0.02 . 1 . . . . 19 SER HA . 6590 1 135 . 1 1 19 19 SER HB2 H 1 3.88 0.02 . 2 . . . . 19 SER HB2 . 6590 1 136 . 1 1 19 19 SER HB3 H 1 3.85 0.02 . 2 . . . . 19 SER HB3 . 6590 1 137 . 1 1 19 19 SER CA C 13 59.27 0.3 . 1 . . . . 19 SER CA . 6590 1 138 . 1 1 19 19 SER CB C 13 64.15 0.3 . 1 . . . . 19 SER CB . 6590 1 139 . 1 1 19 19 SER N N 15 117.27 0.1 . 1 . . . . 19 SER N . 6590 1 140 . 1 1 20 20 GLY H H 1 8.53 0.02 . 1 . . . . 20 GLY H . 6590 1 141 . 1 1 20 20 GLY HA2 H 1 3.97 0.02 . 5 . . . . 20 GLY HA2 . 6590 1 142 . 1 1 20 20 GLY HA3 H 1 3.96 0.02 . 5 . . . . 20 GLY HA3 . 6590 1 143 . 1 1 20 20 GLY CA C 13 45.61 0.3 . 1 . . . . 20 GLY CA . 6590 1 144 . 1 1 20 20 GLY N N 15 111.84 0.1 . 1 . . . . 20 GLY N . 6590 1 145 . 1 1 21 21 ARG H H 1 8.10 0.02 . 1 . . . . 21 ARG H . 6590 1 146 . 1 1 21 21 ARG HA H 1 4.38 0.02 . 1 . . . . 21 ARG HA . 6590 1 147 . 1 1 21 21 ARG HB2 H 1 1.86 0.02 . 2 . . . . 21 ARG HB2 . 6590 1 148 . 1 1 21 21 ARG HB3 H 1 1.75 0.02 . 2 . . . . 21 ARG HB3 . 6590 1 149 . 1 1 21 21 ARG HG2 H 1 1.62 0.02 . 2 . . . . 21 ARG HG2 . 6590 1 150 . 1 1 21 21 ARG HG3 H 1 1.61 0.02 . 2 . . . . 21 ARG HG3 . 6590 1 151 . 1 1 21 21 ARG HD2 H 1 3.19 0.02 . 2 . . . . 21 ARG HD2 . 6590 1 152 . 1 1 21 21 ARG HD3 H 1 3.18 0.02 . 2 . . . . 21 ARG HD3 . 6590 1 153 . 1 1 21 21 ARG CA C 13 56.34 0.3 . 1 . . . . 21 ARG CA . 6590 1 154 . 1 1 21 21 ARG CB C 13 31.29 0.3 . 1 . . . . 21 ARG CB . 6590 1 155 . 1 1 21 21 ARG CG C 13 27.72 0.3 . 1 . . . . 21 ARG CG . 6590 1 156 . 1 1 21 21 ARG CD C 13 43.65 0.3 . 1 . . . . 21 ARG CD . 6590 1 157 . 1 1 21 21 ARG N N 15 121.22 0.1 . 1 . . . . 21 ARG N . 6590 1 158 . 1 1 22 22 ILE H H 1 8.22 0.02 . 1 . . . . 22 ILE H . 6590 1 159 . 1 1 22 22 ILE HA H 1 4.17 0.02 . 1 . . . . 22 ILE HA . 6590 1 160 . 1 1 22 22 ILE HB H 1 1.88 0.02 . 1 . . . . 22 ILE HB . 6590 1 161 . 1 1 22 22 ILE HG12 H 1 1.50 0.02 . 2 . . . . 22 ILE HG12 . 6590 1 162 . 1 1 22 22 ILE HG13 H 1 1.20 0.02 . 2 . . . . 22 ILE HG13 . 6590 1 163 . 1 1 22 22 ILE HG21 H 1 0.91 0.02 . 1 . . . . 22 ILE HG2 . 6590 1 164 . 1 1 22 22 ILE HG22 H 1 0.91 0.02 . 1 . . . . 22 ILE HG2 . 6590 1 165 . 1 1 22 22 ILE HG23 H 1 0.91 0.02 . 1 . . . . 22 ILE HG2 . 6590 1 166 . 1 1 22 22 ILE HD11 H 1 0.86 0.02 . 1 . . . . 22 ILE HD1 . 6590 1 167 . 1 1 22 22 ILE HD12 H 1 0.86 0.02 . 1 . . . . 22 ILE HD1 . 6590 1 168 . 1 1 22 22 ILE HD13 H 1 0.86 0.02 . 1 . . . . 22 ILE HD1 . 6590 1 169 . 1 1 22 22 ILE CA C 13 61.54 0.3 . 1 . . . . 22 ILE CA . 6590 1 170 . 1 1 22 22 ILE CB C 13 39.10 0.3 . 1 . . . . 22 ILE CB . 6590 1 171 . 1 1 22 22 ILE CG1 C 13 27.72 0.3 . 1 . . . . 22 ILE CG1 . 6590 1 172 . 1 1 22 22 ILE CG2 C 13 17.96 0.3 . 1 . . . . 22 ILE CG2 . 6590 1 173 . 1 1 22 22 ILE CD1 C 13 13.35 0.3 . 1 . . . . 22 ILE CD1 . 6590 1 174 . 1 1 22 22 ILE N N 15 123.19 0.1 . 1 . . . . 22 ILE N . 6590 1 175 . 1 1 23 23 ALA H H 1 8.44 0.02 . 1 . . . . 23 ALA H . 6590 1 176 . 1 1 23 23 ALA HA H 1 4.55 0.02 . 1 . . . . 23 ALA HA . 6590 1 177 . 1 1 23 23 ALA HB1 H 1 1.35 0.02 . 1 . . . . 23 ALA HB . 6590 1 178 . 1 1 23 23 ALA HB2 H 1 1.35 0.02 . 1 . . . . 23 ALA HB . 6590 1 179 . 1 1 23 23 ALA HB3 H 1 1.35 0.02 . 1 . . . . 23 ALA HB . 6590 1 180 . 1 1 23 23 ALA CA C 13 52.44 0.3 . 1 . . . . 23 ALA CA . 6590 1 181 . 1 1 23 23 ALA CB C 13 20.56 0.3 . 1 . . . . 23 ALA CB . 6590 1 182 . 1 1 23 23 ALA N N 15 129.36 0.1 . 1 . . . . 23 ALA N . 6590 1 183 . 1 1 24 24 ALA H H 1 8.21 0.02 . 1 . . . . 24 ALA H . 6590 1 184 . 1 1 24 24 ALA HA H 1 4.39 0.02 . 1 . . . . 24 ALA HA . 6590 1 185 . 1 1 24 24 ALA HB1 H 1 1.40 0.02 . 1 . . . . 24 ALA HB . 6590 1 186 . 1 1 24 24 ALA HB2 H 1 1.40 0.02 . 1 . . . . 24 ALA HB . 6590 1 187 . 1 1 24 24 ALA HB3 H 1 1.40 0.02 . 1 . . . . 24 ALA HB . 6590 1 188 . 1 1 24 24 ALA CA C 13 52.76 0.3 . 1 . . . . 24 ALA CA . 6590 1 189 . 1 1 24 24 ALA CB C 13 20.89 0.3 . 1 . . . . 24 ALA CB . 6590 1 190 . 1 1 24 24 ALA N N 15 123.68 0.1 . 1 . . . . 24 ALA N . 6590 1 191 . 1 1 25 25 VAL H H 1 7.97 0.02 . 1 . . . . 25 VAL H . 6590 1 192 . 1 1 25 25 VAL HA H 1 4.60 0.02 . 1 . . . . 25 VAL HA . 6590 1 193 . 1 1 25 25 VAL HB H 1 1.82 0.02 . 1 . . . . 25 VAL HB . 6590 1 194 . 1 1 25 25 VAL HG11 H 1 0.83 0.02 . 2 . . . . 25 VAL HG1 . 6590 1 195 . 1 1 25 25 VAL HG12 H 1 0.83 0.02 . 2 . . . . 25 VAL HG1 . 6590 1 196 . 1 1 25 25 VAL HG13 H 1 0.83 0.02 . 2 . . . . 25 VAL HG1 . 6590 1 197 . 1 1 25 25 VAL HG21 H 1 0.77 0.02 . 2 . . . . 25 VAL HG2 . 6590 1 198 . 1 1 25 25 VAL HG22 H 1 0.77 0.02 . 2 . . . . 25 VAL HG2 . 6590 1 199 . 1 1 25 25 VAL HG23 H 1 0.77 0.02 . 2 . . . . 25 VAL HG2 . 6590 1 200 . 1 1 25 25 VAL CA C 13 62.19 0.3 . 1 . . . . 25 VAL CA . 6590 1 201 . 1 1 25 25 VAL CB C 13 33.57 0.3 . 1 . . . . 25 VAL CB . 6590 1 202 . 1 1 25 25 VAL CG1 C 13 22.19 0.3 . 2 . . . . 25 VAL CG1 . 6590 1 203 . 1 1 25 25 VAL CG2 C 13 21.54 0.3 . 2 . . . . 25 VAL CG2 . 6590 1 204 . 1 1 25 25 VAL N N 15 120.97 0.1 . 1 . . . . 25 VAL N . 6590 1 205 . 1 1 26 26 HIS H H 1 9.20 0.02 . 1 . . . . 26 HIS H . 6590 1 206 . 1 1 26 26 HIS HA H 1 4.63 0.02 . 1 . . . . 26 HIS HA . 6590 1 207 . 1 1 26 26 HIS HB2 H 1 2.80 0.02 . 1 . . . . 26 HIS HB2 . 6590 1 208 . 1 1 26 26 HIS HB3 H 1 2.53 0.02 . 1 . . . . 26 HIS HB3 . 6590 1 209 . 1 1 26 26 HIS HD2 H 1 6.71 0.02 . 1 . . . . 26 HIS HD2 . 6590 1 210 . 1 1 26 26 HIS HE1 H 1 7.64 0.02 . 1 . . . . 26 HIS HE1 . 6590 1 211 . 1 1 26 26 HIS CA C 13 55.36 0.3 . 1 . . . . 26 HIS CA . 6590 1 212 . 1 1 26 26 HIS CB C 13 34.55 0.3 . 1 . . . . 26 HIS CB . 6590 1 213 . 1 1 26 26 HIS CD2 C 13 121.25 0.3 . 1 . . . . 26 HIS CD2 . 6590 1 214 . 1 1 26 26 HIS CE1 C 13 139.53 0.3 . 1 . . . . 26 HIS CE1 . 6590 1 215 . 1 1 26 26 HIS N N 15 126.89 0.1 . 1 . . . . 26 HIS N . 6590 1 216 . 1 1 27 27 ASN H H 1 8.59 0.02 . 1 . . . . 27 ASN H . 6590 1 217 . 1 1 27 27 ASN HA H 1 4.88 0.02 . 1 . . . . 27 ASN HA . 6590 1 218 . 1 1 27 27 ASN HB2 H 1 2.57 0.02 . 2 . . . . 27 ASN HB2 . 6590 1 219 . 1 1 27 27 ASN HB3 H 1 2.13 0.02 . 2 . . . . 27 ASN HB3 . 6590 1 220 . 1 1 27 27 ASN HD21 H 1 6.78 0.02 . 1 . . . . 27 ASN HD21 . 6590 1 221 . 1 1 27 27 ASN HD22 H 1 7.45 0.02 . 1 . . . . 27 ASN HD22 . 6590 1 222 . 1 1 27 27 ASN CA C 13 50.09 0.02 . 1 . . . . 27 ASN CA . 6590 1 223 . 1 1 27 27 ASN CB C 13 38.45 0.02 . 1 . . . . 27 ASN CB . 6590 1 224 . 1 1 27 27 ASN N N 15 122.45 0.02 . 1 . . . . 27 ASN N . 6590 1 225 . 1 1 27 27 ASN ND2 N 15 114.55 0.1 . 1 . . . . 27 ASN ND2 . 6590 1 226 . 1 1 28 28 VAL H H 1 8.40 0.02 . 1 . . . . 28 VAL H . 6590 1 227 . 1 1 28 28 VAL HA H 1 4.30 0.02 . 1 . . . . 28 VAL HA . 6590 1 228 . 1 1 28 28 VAL HB H 1 1.59 0.02 . 1 . . . . 28 VAL HB . 6590 1 229 . 1 1 28 28 VAL HG11 H 1 0.48 0.02 . 2 . . . . 28 VAL HG1 . 6590 1 230 . 1 1 28 28 VAL HG12 H 1 0.48 0.02 . 2 . . . . 28 VAL HG1 . 6590 1 231 . 1 1 28 28 VAL HG13 H 1 0.48 0.02 . 2 . . . . 28 VAL HG1 . 6590 1 232 . 1 1 28 28 VAL HG21 H 1 0.48 0.02 . 2 . . . . 28 VAL HG2 . 6590 1 233 . 1 1 28 28 VAL HG22 H 1 0.48 0.02 . 2 . . . . 28 VAL HG2 . 6590 1 234 . 1 1 28 28 VAL HG23 H 1 0.48 0.02 . 2 . . . . 28 VAL HG2 . 6590 1 235 . 1 1 28 28 VAL CA C 13 58.94 0.3 . 1 . . . . 28 VAL CA . 6590 1 236 . 1 1 28 28 VAL CB C 13 34.22 0.3 . 1 . . . . 28 VAL CB . 6590 1 237 . 1 1 28 28 VAL CG1 C 13 21.21 0.3 . 1 . . . . 28 VAL CG1 . 6590 1 238 . 1 1 28 28 VAL CG2 C 13 21.21 0.3 . 1 . . . . 28 VAL CG2 . 6590 1 239 . 1 1 28 28 VAL N N 15 125.41 0.1 . 1 . . . . 28 VAL N . 6590 1 240 . 1 1 29 29 PRO HA H 1 4.75 0.02 . 1 . . . . 29 PRO HA . 6590 1 241 . 1 1 29 29 PRO HB2 H 1 2.35 0.02 . 2 . . . . 29 PRO HB2 . 6590 1 242 . 1 1 29 29 PRO HB3 H 1 1.79 0.02 . 2 . . . . 29 PRO HB3 . 6590 1 243 . 1 1 29 29 PRO HG2 H 1 2.00 0.02 . 2 . . . . 29 PRO HG2 . 6590 1 244 . 1 1 29 29 PRO HG3 H 1 1.80 0.02 . 2 . . . . 29 PRO HG3 . 6590 1 245 . 1 1 29 29 PRO HD2 H 1 3.22 0.02 . 2 . . . . 29 PRO HD2 . 6590 1 246 . 1 1 29 29 PRO HD3 H 1 3.75 0.02 . 2 . . . . 29 PRO HD3 . 6590 1 247 . 1 1 29 29 PRO CA C 13 62.84 0.3 . 1 . . . . 29 PRO CA . 6590 1 248 . 1 1 29 29 PRO CB C 13 31.94 0.3 . 1 . . . . 29 PRO CB . 6590 1 249 . 1 1 29 29 PRO CG C 13 28.37 0.3 . 1 . . . . 29 PRO CG . 6590 1 250 . 1 1 29 29 PRO CD C 13 51.46 0.3 . 1 . . . . 29 PRO CD . 6590 1 251 . 1 1 30 30 LEU H H 1 8.00 0.02 . 1 . . . . 30 LEU H . 6590 1 252 . 1 1 30 30 LEU HA H 1 3.76 0.02 . 1 . . . . 30 LEU HA . 6590 1 253 . 1 1 30 30 LEU HB2 H 1 1.54 0.02 . 2 . . . . 30 LEU HB2 . 6590 1 254 . 1 1 30 30 LEU HB3 H 1 1.39 0.02 . 2 . . . . 30 LEU HB3 . 6590 1 255 . 1 1 30 30 LEU HG H 1 1.25 0.02 . 1 . . . . 30 LEU HG . 6590 1 256 . 1 1 30 30 LEU HD11 H 1 0.41 0.02 . 2 . . . . 30 LEU HD1 . 6590 1 257 . 1 1 30 30 LEU HD12 H 1 0.41 0.02 . 2 . . . . 30 LEU HD1 . 6590 1 258 . 1 1 30 30 LEU HD13 H 1 0.41 0.02 . 2 . . . . 30 LEU HD1 . 6590 1 259 . 1 1 30 30 LEU HD21 H 1 0.52 0.02 . 2 . . . . 30 LEU HD2 . 6590 1 260 . 1 1 30 30 LEU HD22 H 1 0.52 0.02 . 2 . . . . 30 LEU HD2 . 6590 1 261 . 1 1 30 30 LEU HD23 H 1 0.52 0.02 . 2 . . . . 30 LEU HD2 . 6590 1 262 . 1 1 30 30 LEU CA C 13 59.92 0.3 . 1 . . . . 30 LEU CA . 6590 1 263 . 1 1 30 30 LEU CB C 13 41.70 0.3 . 1 . . . . 30 LEU CB . 6590 1 264 . 1 1 30 30 LEU CG C 13 29.99 0.3 . 1 . . . . 30 LEU CG . 6590 1 265 . 1 1 30 30 LEU CD1 C 13 25.76 0.3 . 1 . . . . 30 LEU CD1 . 6590 1 266 . 1 1 30 30 LEU CD2 C 13 25.76 0.3 . 1 . . . . 30 LEU CD2 . 6590 1 267 . 1 1 30 30 LEU N N 15 126.40 0.1 . 1 . . . . 30 LEU N . 6590 1 268 . 1 1 31 31 SER H H 1 8.32 0.02 . 1 . . . . 31 SER H . 6590 1 269 . 1 1 31 31 SER HA H 1 4.13 0.02 . 1 . . . . 31 SER HA . 6590 1 270 . 1 1 31 31 SER HB2 H 1 3.96 0.02 . 2 . . . . 31 SER HB2 . 6590 1 271 . 1 1 31 31 SER HB3 H 1 3.82 0.02 . 2 . . . . 31 SER HB3 . 6590 1 272 . 1 1 31 31 SER CA C 13 60.57 0.3 . 1 . . . . 31 SER CA . 6590 1 273 . 1 1 31 31 SER CB C 13 63.50 0.3 . 1 . . . . 31 SER CB . 6590 1 274 . 1 1 31 31 SER N N 15 110.61 0.1 . 1 . . . . 31 SER N . 6590 1 275 . 1 1 32 32 VAL H H 1 7.00 0.02 . 1 . . . . 32 VAL H . 6590 1 276 . 1 1 32 32 VAL HA H 1 4.39 0.02 . 1 . . . . 32 VAL HA . 6590 1 277 . 1 1 32 32 VAL HB H 1 2.27 0.02 . 1 . . . . 32 VAL HB . 6590 1 278 . 1 1 32 32 VAL HG11 H 1 0.81 0.02 . 2 . . . . 32 VAL HG1 . 6590 1 279 . 1 1 32 32 VAL HG12 H 1 0.81 0.02 . 2 . . . . 32 VAL HG1 . 6590 1 280 . 1 1 32 32 VAL HG13 H 1 0.81 0.02 . 2 . . . . 32 VAL HG1 . 6590 1 281 . 1 1 32 32 VAL HG21 H 1 0.78 0.02 . 2 . . . . 32 VAL HG2 . 6590 1 282 . 1 1 32 32 VAL HG22 H 1 0.78 0.02 . 2 . . . . 32 VAL HG2 . 6590 1 283 . 1 1 32 32 VAL HG23 H 1 0.78 0.02 . 2 . . . . 32 VAL HG2 . 6590 1 284 . 1 1 32 32 VAL CA C 13 61.54 0.3 . 1 . . . . 32 VAL CA . 6590 1 285 . 1 1 32 32 VAL CB C 13 32.59 0.3 . 1 . . . . 32 VAL CB . 6590 1 286 . 1 1 32 32 VAL CG1 C 13 21.21 0.3 . 2 . . . . 32 VAL CG1 . 6590 1 287 . 1 1 32 32 VAL CG2 C 13 20.23 0.3 . 2 . . . . 32 VAL CG2 . 6590 1 288 . 1 1 32 32 VAL N N 15 115.79 0.1 . 1 . . . . 32 VAL N . 6590 1 289 . 1 1 33 33 LEU H H 1 6.89 0.02 . 1 . . . . 33 LEU H . 6590 1 290 . 1 1 33 33 LEU HA H 1 4.22 0.02 . 1 . . . . 33 LEU HA . 6590 1 291 . 1 1 33 33 LEU HB2 H 1 1.76 0.02 . 2 . . . . 33 LEU HB2 . 6590 1 292 . 1 1 33 33 LEU HB3 H 1 0.91 0.02 . 2 . . . . 33 LEU HB3 . 6590 1 293 . 1 1 33 33 LEU HG H 1 1.68 0.02 . 1 . . . . 33 LEU HG . 6590 1 294 . 1 1 33 33 LEU HD11 H 1 0.78 0.02 . 2 . . . . 33 LEU HD1 . 6590 1 295 . 1 1 33 33 LEU HD12 H 1 0.78 0.02 . 2 . . . . 33 LEU HD1 . 6590 1 296 . 1 1 33 33 LEU HD13 H 1 0.78 0.02 . 2 . . . . 33 LEU HD1 . 6590 1 297 . 1 1 33 33 LEU HD21 H 1 0.57 0.02 . 2 . . . . 33 LEU HD2 . 6590 1 298 . 1 1 33 33 LEU HD22 H 1 0.57 0.02 . 2 . . . . 33 LEU HD2 . 6590 1 299 . 1 1 33 33 LEU HD23 H 1 0.57 0.02 . 2 . . . . 33 LEU HD2 . 6590 1 300 . 1 1 33 33 LEU CA C 13 55.36 0.3 . 1 . . . . 33 LEU CA . 6590 1 301 . 1 1 33 33 LEU CB C 13 42.68 0.3 . 1 . . . . 33 LEU CB . 6590 1 302 . 1 1 33 33 LEU CG C 13 26.74 0.3 . 1 . . . . 33 LEU CG . 6590 1 303 . 1 1 33 33 LEU CD1 C 13 26.41 0.3 . 2 . . . . 33 LEU CD1 . 6590 1 304 . 1 1 33 33 LEU CD2 C 13 25.11 0.3 . 2 . . . . 33 LEU CD2 . 6590 1 305 . 1 1 33 33 LEU N N 15 120.48 0.1 . 1 . . . . 33 LEU N . 6590 1 306 . 1 1 34 34 ILE H H 1 8.99 0.02 . 1 . . . . 34 ILE H . 6590 1 307 . 1 1 34 34 ILE HA H 1 3.80 0.02 . 1 . . . . 34 ILE HA . 6590 1 308 . 1 1 34 34 ILE HB H 1 0.70 0.02 . 1 . . . . 34 ILE HB . 6590 1 309 . 1 1 34 34 ILE HG12 H 1 1.54 0.02 . 2 . . . . 34 ILE HG12 . 6590 1 310 . 1 1 34 34 ILE HG13 H 1 0.67 0.02 . 2 . . . . 34 ILE HG13 . 6590 1 311 . 1 1 34 34 ILE HG21 H 1 0.52 0.02 . 1 . . . . 34 ILE HG2 . 6590 1 312 . 1 1 34 34 ILE HG22 H 1 0.52 0.02 . 1 . . . . 34 ILE HG2 . 6590 1 313 . 1 1 34 34 ILE HG23 H 1 0.52 0.02 . 1 . . . . 34 ILE HG2 . 6590 1 314 . 1 1 34 34 ILE HD11 H 1 0.59 0.02 . 1 . . . . 34 ILE HD1 . 6590 1 315 . 1 1 34 34 ILE HD12 H 1 0.59 0.02 . 1 . . . . 34 ILE HD1 . 6590 1 316 . 1 1 34 34 ILE HD13 H 1 0.59 0.02 . 1 . . . . 34 ILE HD1 . 6590 1 317 . 1 1 34 34 ILE CA C 13 61.87 0.3 . 1 . . . . 34 ILE CA . 6590 1 318 . 1 1 34 34 ILE CB C 13 38.12 0.3 . 1 . . . . 34 ILE CB . 6590 1 319 . 1 1 34 34 ILE CG1 C 13 27.07 0.3 . 1 . . . . 34 ILE CG1 . 6590 1 320 . 1 1 34 34 ILE CG2 C 13 19.26 0.3 . 1 . . . . 34 ILE CG2 . 6590 1 321 . 1 1 34 34 ILE CD1 C 13 14.65 0.3 . 1 . . . . 34 ILE CD1 . 6590 1 322 . 1 1 34 34 ILE N N 15 128.86 0.1 . 1 . . . . 34 ILE N . 6590 1 323 . 1 1 35 35 ARG H H 1 8.42 0.02 . 1 . . . . 35 ARG H . 6590 1 324 . 1 1 35 35 ARG HA H 1 4.91 0.02 . 1 . . . . 35 ARG HA . 6590 1 325 . 1 1 35 35 ARG HB2 H 1 1.49 0.02 . 2 . . . . 35 ARG HB2 . 6590 1 326 . 1 1 35 35 ARG HB3 H 1 1.42 0.02 . 2 . . . . 35 ARG HB3 . 6590 1 327 . 1 1 35 35 ARG HG2 H 1 1.22 0.02 . 2 . . . . 35 ARG HG2 . 6590 1 328 . 1 1 35 35 ARG HG3 H 1 0.94 0.02 . 2 . . . . 35 ARG HG3 . 6590 1 329 . 1 1 35 35 ARG HD2 H 1 2.20 0.02 . 2 . . . . 35 ARG HD2 . 6590 1 330 . 1 1 35 35 ARG HD3 H 1 2.06 0.02 . 2 . . . . 35 ARG HD3 . 6590 1 331 . 1 1 35 35 ARG HE H 1 6.75 0.02 . 1 . . . . 35 ARG HE . 6590 1 332 . 1 1 35 35 ARG CA C 13 53.09 0.3 . 1 . . . . 35 ARG CA . 6590 1 333 . 1 1 35 35 ARG CB C 13 29.67 0.3 . 1 . . . . 35 ARG CB . 6590 1 334 . 1 1 35 35 ARG CG C 13 27.07 0.3 . 1 . . . . 35 ARG CG . 6590 1 335 . 1 1 35 35 ARG CD C 13 42.03 0.3 . 1 . . . . 35 ARG CD . 6590 1 336 . 1 1 35 35 ARG N N 15 127.88 0.1 . 1 . . . . 35 ARG N . 6590 1 337 . 1 1 35 35 ARG NE N 15 85.0 0.1 . 1 . . . . 35 ARG NE . 6590 1 338 . 1 1 36 36 PRO HA H 1 4.40 0.02 . 1 . . . . 36 PRO HA . 6590 1 339 . 1 1 36 36 PRO HB2 H 1 2.53 0.02 . 2 . . . . 36 PRO HB2 . 6590 1 340 . 1 1 36 36 PRO HB3 H 1 1.97 0.02 . 2 . . . . 36 PRO HB3 . 6590 1 341 . 1 1 36 36 PRO HG2 H 1 2.03 0.02 . 1 . . . . 36 PRO HG2 . 6590 1 342 . 1 1 36 36 PRO HG3 H 1 2.03 0.02 . 1 . . . . 36 PRO HG3 . 6590 1 343 . 1 1 36 36 PRO HD2 H 1 3.11 0.02 . 2 . . . . 36 PRO HD2 . 6590 1 344 . 1 1 36 36 PRO HD3 H 1 3.56 0.02 . 2 . . . . 36 PRO HD3 . 6590 1 345 . 1 1 36 36 PRO CA C 13 64.15 0.3 . 1 . . . . 36 PRO CA . 6590 1 346 . 1 1 36 36 PRO CB C 13 33.90 0.3 . 1 . . . . 36 PRO CB . 6590 1 347 . 1 1 36 36 PRO CG C 13 28.69 0.3 . 1 . . . . 36 PRO CG . 6590 1 348 . 1 1 36 36 PRO CD C 13 49.83 0.3 . 1 . . . . 36 PRO CD . 6590 1 349 . 1 1 37 37 LEU H H 1 8.34 0.02 . 1 . . . . 37 LEU H . 6590 1 350 . 1 1 37 37 LEU HA H 1 4.93 0.02 . 1 . . . . 37 LEU HA . 6590 1 351 . 1 1 37 37 LEU HB2 H 1 1.87 0.02 . 2 . . . . 37 LEU HB2 . 6590 1 352 . 1 1 37 37 LEU HB3 H 1 1.63 0.02 . 2 . . . . 37 LEU HB3 . 6590 1 353 . 1 1 37 37 LEU HG H 1 1.66 0.02 . 1 . . . . 37 LEU HG . 6590 1 354 . 1 1 37 37 LEU HD11 H 1 1.16 0.02 . 2 . . . . 37 LEU HD1 . 6590 1 355 . 1 1 37 37 LEU HD12 H 1 1.16 0.02 . 2 . . . . 37 LEU HD1 . 6590 1 356 . 1 1 37 37 LEU HD13 H 1 1.16 0.02 . 2 . . . . 37 LEU HD1 . 6590 1 357 . 1 1 37 37 LEU HD21 H 1 1.02 0.02 . 2 . . . . 37 LEU HD2 . 6590 1 358 . 1 1 37 37 LEU HD22 H 1 1.02 0.02 . 2 . . . . 37 LEU HD2 . 6590 1 359 . 1 1 37 37 LEU HD23 H 1 1.02 0.02 . 2 . . . . 37 LEU HD2 . 6590 1 360 . 1 1 37 37 LEU CA C 13 52.44 0.3 . 1 . . . . 37 LEU CA . 6590 1 361 . 1 1 37 37 LEU CB C 13 42.68 0.3 . 1 . . . . 37 LEU CB . 6590 1 362 . 1 1 37 37 LEU CD1 C 13 26.41 0.3 . 2 . . . . 37 LEU CD1 . 6590 1 363 . 1 1 37 37 LEU CD2 C 13 23.16 0.3 . 2 . . . . 37 LEU CD2 . 6590 1 364 . 1 1 37 37 LEU N N 15 119.24 0.1 . 1 . . . . 37 LEU N . 6590 1 365 . 1 1 38 38 PRO HA H 1 4.43 0.02 . 1 . . . . 38 PRO HA . 6590 1 366 . 1 1 38 38 PRO HB2 H 1 2.22 0.02 . 2 . . . . 38 PRO HB2 . 6590 1 367 . 1 1 38 38 PRO HB3 H 1 1.95 0.02 . 2 . . . . 38 PRO HB3 . 6590 1 368 . 1 1 38 38 PRO HG2 H 1 1.68 0.02 . 1 . . . . 38 PRO HG2 . 6590 1 369 . 1 1 38 38 PRO HG3 H 1 1.68 0.02 . 1 . . . . 38 PRO HG3 . 6590 1 370 . 1 1 38 38 PRO HD2 H 1 3.61 0.02 . 2 . . . . 38 PRO HD2 . 6590 1 371 . 1 1 38 38 PRO HD3 H 1 3.70 0.02 . 2 . . . . 38 PRO HD3 . 6590 1 372 . 1 1 38 38 PRO CA C 13 63.50 0.3 . 1 . . . . 38 PRO CA . 6590 1 373 . 1 1 38 38 PRO CB C 13 32.59 0.3 . 1 . . . . 38 PRO CB . 6590 1 374 . 1 1 38 38 PRO CD C 13 50.81 0.3 . 1 . . . . 38 PRO CD . 6590 1 375 . 1 1 39 39 SER H H 1 8.80 0.02 . 1 . . . . 39 SER H . 6590 1 376 . 1 1 39 39 SER HA H 1 4.63 0.02 . 1 . . . . 39 SER HA . 6590 1 377 . 1 1 39 39 SER HB2 H 1 3.77 0.02 . 2 . . . . 39 SER HB2 . 6590 1 378 . 1 1 39 39 SER HB3 H 1 3.73 0.02 . 2 . . . . 39 SER HB3 . 6590 1 379 . 1 1 39 39 SER CA C 13 58.29 0.3 . 1 . . . . 39 SER CA . 6590 1 380 . 1 1 39 39 SER CB C 13 64.88 0.3 . 1 . . . . 39 SER CB . 6590 1 381 . 1 1 39 39 SER N N 15 120.36 0.1 . 1 . . . . 39 SER N . 6590 1 382 . 1 1 40 40 VAL H H 1 8.32 0.02 . 1 . . . . 40 VAL H . 6590 1 383 . 1 1 40 40 VAL HA H 1 3.96 0.02 . 1 . . . . 40 VAL HA . 6590 1 384 . 1 1 40 40 VAL HB H 1 1.96 0.02 . 1 . . . . 40 VAL HB . 6590 1 385 . 1 1 40 40 VAL HG11 H 1 0.96 0.02 . 2 . . . . 40 VAL HG1 . 6590 1 386 . 1 1 40 40 VAL HG12 H 1 0.96 0.02 . 2 . . . . 40 VAL HG1 . 6590 1 387 . 1 1 40 40 VAL HG13 H 1 0.96 0.02 . 2 . . . . 40 VAL HG1 . 6590 1 388 . 1 1 40 40 VAL HG21 H 1 0.91 0.02 . 2 . . . . 40 VAL HG2 . 6590 1 389 . 1 1 40 40 VAL HG22 H 1 0.91 0.02 . 2 . . . . 40 VAL HG2 . 6590 1 390 . 1 1 40 40 VAL HG23 H 1 0.91 0.02 . 2 . . . . 40 VAL HG2 . 6590 1 391 . 1 1 40 40 VAL CA C 13 63.50 0.3 . 1 . . . . 40 VAL CA . 6590 1 392 . 1 1 40 40 VAL CB C 13 32.59 0.3 . 1 . . . . 40 VAL CB . 6590 1 393 . 1 1 40 40 VAL CG1 C 13 21.54 0.3 . 1 . . . . 40 VAL CG1 . 6590 1 394 . 1 1 40 40 VAL CG2 C 13 21.54 0.3 . 1 . . . . 40 VAL CG2 . 6590 1 395 . 1 1 40 40 VAL N N 15 125.16 0.1 . 1 . . . . 40 VAL N . 6590 1 396 . 1 1 41 41 LEU H H 1 8.34 0.02 . 1 . . . . 41 LEU H . 6590 1 397 . 1 1 41 41 LEU HA H 1 4.44 0.02 . 1 . . . . 41 LEU HA . 6590 1 398 . 1 1 41 41 LEU HB2 H 1 1.57 0.02 . 2 . . . . 41 LEU HB2 . 6590 1 399 . 1 1 41 41 LEU HB3 H 1 0.90 0.02 . 2 . . . . 41 LEU HB3 . 6590 1 400 . 1 1 41 41 LEU HG H 1 1.38 0.02 . 1 . . . . 41 LEU HG . 6590 1 401 . 1 1 41 41 LEU HD11 H 1 0.70 0.02 . 2 . . . . 41 LEU HD1 . 6590 1 402 . 1 1 41 41 LEU HD12 H 1 0.70 0.02 . 2 . . . . 41 LEU HD1 . 6590 1 403 . 1 1 41 41 LEU HD13 H 1 0.70 0.02 . 2 . . . . 41 LEU HD1 . 6590 1 404 . 1 1 41 41 LEU HD21 H 1 0.00 0.02 . 2 . . . . 41 LEU HD2 . 6590 1 405 . 1 1 41 41 LEU HD22 H 1 0.00 0.02 . 2 . . . . 41 LEU HD2 . 6590 1 406 . 1 1 41 41 LEU HD23 H 1 0.00 0.02 . 2 . . . . 41 LEU HD2 . 6590 1 407 . 1 1 41 41 LEU CA C 13 53.74 0.3 . 1 . . . . 41 LEU CA . 6590 1 408 . 1 1 41 41 LEU CB C 13 43.98 0.3 . 1 . . . . 41 LEU CB . 6590 1 409 . 1 1 41 41 LEU CG C 13 26.74 0.3 . 1 . . . . 41 LEU CG . 6590 1 410 . 1 1 41 41 LEU CD1 C 13 26.41 0.3 . 2 . . . . 41 LEU CD1 . 6590 1 411 . 1 1 41 41 LEU CD2 C 13 22.51 0.3 . 2 . . . . 41 LEU CD2 . 6590 1 412 . 1 1 41 41 LEU N N 15 128.12 0.1 . 1 . . . . 41 LEU N . 6590 1 413 . 1 1 42 42 ASP H H 1 11.55 0.02 . 1 . . . . 42 ASP H . 6590 1 414 . 1 1 42 42 ASP HA H 1 5.14 0.02 . 1 . . . . 42 ASP HA . 6590 1 415 . 1 1 42 42 ASP HB2 H 1 3.12 0.02 . 2 . . . . 42 ASP HB2 . 6590 1 416 . 1 1 42 42 ASP HB3 H 1 2.77 0.02 . 2 . . . . 42 ASP HB3 . 6590 1 417 . 1 1 42 42 ASP CA C 13 51.14 0.3 . 1 . . . . 42 ASP CA . 6590 1 418 . 1 1 42 42 ASP CB C 13 41.70 0.3 . 1 . . . . 42 ASP CB . 6590 1 419 . 1 1 42 42 ASP N N 15 128.41 0.1 . 1 . . . . 42 ASP N . 6590 1 420 . 1 1 43 43 PRO HA H 1 4.27 0.02 . 1 . . . . 43 PRO HA . 6590 1 421 . 1 1 43 43 PRO HB2 H 1 2.42 0.02 . 2 . . . . 43 PRO HB2 . 6590 1 422 . 1 1 43 43 PRO HB3 H 1 2.06 0.02 . 2 . . . . 43 PRO HB3 . 6590 1 423 . 1 1 43 43 PRO HG2 H 1 2.17 0.02 . 2 . . . . 43 PRO HG2 . 6590 1 424 . 1 1 43 43 PRO HG3 H 1 2.07 0.02 . 2 . . . . 43 PRO HG3 . 6590 1 425 . 1 1 43 43 PRO HD2 H 1 4.07 0.02 . 2 . . . . 43 PRO HD2 . 6590 1 426 . 1 1 43 43 PRO HD3 H 1 4.19 0.02 . 2 . . . . 43 PRO HD3 . 6590 1 427 . 1 1 43 43 PRO CA C 13 65.30 0.3 . 1 . . . . 43 PRO CA . 6590 1 428 . 1 1 43 43 PRO CB C 13 32.59 0.3 . 1 . . . . 43 PRO CB . 6590 1 429 . 1 1 43 43 PRO CG C 13 27.72 0.3 . 1 . . . . 43 PRO CG . 6590 1 430 . 1 1 43 43 PRO CD C 13 51.79 0.3 . 1 . . . . 43 PRO CD . 6590 1 431 . 1 1 44 44 ALA H H 1 8.06 0.02 . 1 . . . . 44 ALA H . 6590 1 432 . 1 1 44 44 ALA HA H 1 4.21 0.02 . 1 . . . . 44 ALA HA . 6590 1 433 . 1 1 44 44 ALA HB1 H 1 1.47 0.02 . 1 . . . . 44 ALA HB . 6590 1 434 . 1 1 44 44 ALA HB2 H 1 1.47 0.02 . 1 . . . . 44 ALA HB . 6590 1 435 . 1 1 44 44 ALA HB3 H 1 1.47 0.02 . 1 . . . . 44 ALA HB . 6590 1 436 . 1 1 44 44 ALA CA C 13 55.04 0.3 . 1 . . . . 44 ALA CA . 6590 1 437 . 1 1 44 44 ALA CB C 13 18.61 0.3 . 1 . . . . 44 ALA CB . 6590 1 438 . 1 1 44 44 ALA N N 15 121.71 0.1 . 1 . . . . 44 ALA N . 6590 1 439 . 1 1 45 45 LYS H H 1 7.41 0.02 . 1 . . . . 45 LYS H . 6590 1 440 . 1 1 45 45 LYS HA H 1 4.10 0.02 . 1 . . . . 45 LYS HA . 6590 1 441 . 1 1 45 45 LYS HB2 H 1 1.96 0.02 . 2 . . . . 45 LYS HB2 . 6590 1 442 . 1 1 45 45 LYS HB3 H 1 1.69 0.02 . 2 . . . . 45 LYS HB3 . 6590 1 443 . 1 1 45 45 LYS HG2 H 1 1.31 0.02 . 2 . . . . 45 LYS HG2 . 6590 1 444 . 1 1 45 45 LYS HG3 H 1 0.99 0.02 . 2 . . . . 45 LYS HG3 . 6590 1 445 . 1 1 45 45 LYS HD2 H 1 1.20 0.02 . 2 . . . . 45 LYS HD2 . 6590 1 446 . 1 1 45 45 LYS HD3 H 1 0.85 0.02 . 2 . . . . 45 LYS HD3 . 6590 1 447 . 1 1 45 45 LYS HE2 H 1 2.64 0.02 . 1 . . . . 45 LYS HE2 . 6590 1 448 . 1 1 45 45 LYS HE3 H 1 2.64 0.02 . 1 . . . . 45 LYS HE3 . 6590 1 449 . 1 1 45 45 LYS CA C 13 59.27 0.3 . 1 . . . . 45 LYS CA . 6590 1 450 . 1 1 45 45 LYS CB C 13 32.59 0.3 . 1 . . . . 45 LYS CB . 6590 1 451 . 1 1 45 45 LYS CG C 13 25.76 0.3 . 1 . . . . 45 LYS CG . 6590 1 452 . 1 1 45 45 LYS CD C 13 29.02 0.3 . 1 . . . . 45 LYS CD . 6590 1 453 . 1 1 45 45 LYS CE C 13 42.03 0.3 . 1 . . . . 45 LYS CE . 6590 1 454 . 1 1 45 45 LYS N N 15 122.45 0.1 . 1 . . . . 45 LYS N . 6590 1 455 . 1 1 46 46 VAL H H 1 7.85 0.02 . 1 . . . . 46 VAL H . 6590 1 456 . 1 1 46 46 VAL HA H 1 3.55 0.02 . 1 . . . . 46 VAL HA . 6590 1 457 . 1 1 46 46 VAL HB H 1 2.27 0.02 . 1 . . . . 46 VAL HB . 6590 1 458 . 1 1 46 46 VAL HG11 H 1 1.29 0.02 . 2 . . . . 46 VAL HG1 . 6590 1 459 . 1 1 46 46 VAL HG12 H 1 1.29 0.02 . 2 . . . . 46 VAL HG1 . 6590 1 460 . 1 1 46 46 VAL HG13 H 1 1.29 0.02 . 2 . . . . 46 VAL HG1 . 6590 1 461 . 1 1 46 46 VAL HG21 H 1 0.84 0.02 . 2 . . . . 46 VAL HG2 . 6590 1 462 . 1 1 46 46 VAL HG22 H 1 0.84 0.02 . 2 . . . . 46 VAL HG2 . 6590 1 463 . 1 1 46 46 VAL HG23 H 1 0.84 0.02 . 2 . . . . 46 VAL HG2 . 6590 1 464 . 1 1 46 46 VAL CA C 13 68.60 0.3 . 1 . . . . 46 VAL CA . 6590 1 465 . 1 1 46 46 VAL CB C 13 32.59 0.3 . 1 . . . . 46 VAL CB . 6590 1 466 . 1 1 46 46 VAL CG1 C 13 24.79 0.3 . 2 . . . . 46 VAL CG1 . 6590 1 467 . 1 1 46 46 VAL CG2 C 13 21.21 0.3 . 2 . . . . 46 VAL CG2 . 6590 1 468 . 1 1 46 46 VAL N N 15 119.00 0.1 . 1 . . . . 46 VAL N . 6590 1 469 . 1 1 47 47 GLN H H 1 7.83 0.02 . 1 . . . . 47 GLN H . 6590 1 470 . 1 1 47 47 GLN HA H 1 3.84 0.02 . 1 . . . . 47 GLN HA . 6590 1 471 . 1 1 47 47 GLN HB2 H 1 2.17 0.02 . 2 . . . . 47 GLN HB2 . 6590 1 472 . 1 1 47 47 GLN HB3 H 1 2.09 0.02 . 2 . . . . 47 GLN HB3 . 6590 1 473 . 1 1 47 47 GLN HG2 H 1 2.44 0.02 . 2 . . . . 47 GLN HG2 . 6590 1 474 . 1 1 47 47 GLN HG3 H 1 2.36 0.02 . 2 . . . . 47 GLN HG3 . 6590 1 475 . 1 1 47 47 GLN HE21 H 1 6.83 0.02 . 1 . . . . 47 GLN HE21 . 6590 1 476 . 1 1 47 47 GLN HE22 H 1 7.48 0.02 . 1 . . . . 47 GLN HE22 . 6590 1 477 . 1 1 47 47 GLN CA C 13 58.94 0.3 . 1 . . . . 47 GLN CA . 6590 1 478 . 1 1 47 47 GLN CB C 13 28.37 0.3 . 1 . . . . 47 GLN CB . 6590 1 479 . 1 1 47 47 GLN CG C 13 33.90 0.3 . 1 . . . . 47 GLN CG . 6590 1 480 . 1 1 47 47 GLN N N 15 117.76 0.1 . 1 . . . . 47 GLN N . 6590 1 481 . 1 1 47 47 GLN NE2 N 15 115.79 0.1 . 1 . . . . 47 GLN NE2 . 6590 1 482 . 1 1 48 48 SER H H 1 7.90 0.02 . 1 . . . . 48 SER H . 6590 1 483 . 1 1 48 48 SER HA H 1 4.31 0.02 . 1 . . . . 48 SER HA . 6590 1 484 . 1 1 48 48 SER HB2 H 1 3.97 0.02 . 1 . . . . 48 SER HB2 . 6590 1 485 . 1 1 48 48 SER HB3 H 1 3.97 0.02 . 1 . . . . 48 SER HB3 . 6590 1 486 . 1 1 48 48 SER CA C 13 61.87 0.3 . 1 . . . . 48 SER CA . 6590 1 487 . 1 1 48 48 SER CB C 13 63.50 0.3 . 1 . . . . 48 SER CB . 6590 1 488 . 1 1 48 48 SER N N 15 114.55 0.1 . 1 . . . . 48 SER N . 6590 1 489 . 1 1 49 49 LEU H H 1 7.99 0.02 . 1 . . . . 49 LEU H . 6590 1 490 . 1 1 49 49 LEU HA H 1 4.02 0.02 . 1 . . . . 49 LEU HA . 6590 1 491 . 1 1 49 49 LEU HB2 H 1 2.12 0.02 . 2 . . . . 49 LEU HB2 . 6590 1 492 . 1 1 49 49 LEU HB3 H 1 1.09 0.02 . 2 . . . . 49 LEU HB3 . 6590 1 493 . 1 1 49 49 LEU HG H 1 1.73 0.02 . 1 . . . . 49 LEU HG . 6590 1 494 . 1 1 49 49 LEU HD11 H 1 0.89 0.02 . 2 . . . . 49 LEU HD1 . 6590 1 495 . 1 1 49 49 LEU HD12 H 1 0.89 0.02 . 2 . . . . 49 LEU HD1 . 6590 1 496 . 1 1 49 49 LEU HD13 H 1 0.89 0.02 . 2 . . . . 49 LEU HD1 . 6590 1 497 . 1 1 49 49 LEU HD21 H 1 0.82 0.02 . 2 . . . . 49 LEU HD2 . 6590 1 498 . 1 1 49 49 LEU HD22 H 1 0.82 0.02 . 2 . . . . 49 LEU HD2 . 6590 1 499 . 1 1 49 49 LEU HD23 H 1 0.82 0.02 . 2 . . . . 49 LEU HD2 . 6590 1 500 . 1 1 49 49 LEU CA C 13 58.62 0.3 . 1 . . . . 49 LEU CA . 6590 1 501 . 1 1 49 49 LEU CB C 13 43.00 0.3 . 1 . . . . 49 LEU CB . 6590 1 502 . 1 1 49 49 LEU CG C 13 28.04 0.3 . 1 . . . . 49 LEU CG . 6590 1 503 . 1 1 49 49 LEU CD1 C 13 24.14 0.3 . 2 . . . . 49 LEU CD1 . 6590 1 504 . 1 1 49 49 LEU CD2 C 13 27.72 0.3 . 2 . . . . 49 LEU CD2 . 6590 1 505 . 1 1 49 49 LEU N N 15 124.42 0.1 . 1 . . . . 49 LEU N . 6590 1 506 . 1 1 50 50 VAL H H 1 8.55 0.02 . 1 . . . . 50 VAL H . 6590 1 507 . 1 1 50 50 VAL HA H 1 3.25 0.02 . 1 . . . . 50 VAL HA . 6590 1 508 . 1 1 50 50 VAL HB H 1 2.27 0.02 . 1 . . . . 50 VAL HB . 6590 1 509 . 1 1 50 50 VAL HG11 H 1 0.99 0.02 . 2 . . . . 50 VAL HG1 . 6590 1 510 . 1 1 50 50 VAL HG12 H 1 0.99 0.02 . 2 . . . . 50 VAL HG1 . 6590 1 511 . 1 1 50 50 VAL HG13 H 1 0.99 0.02 . 2 . . . . 50 VAL HG1 . 6590 1 512 . 1 1 50 50 VAL HG21 H 1 0.83 0.02 . 2 . . . . 50 VAL HG2 . 6590 1 513 . 1 1 50 50 VAL HG22 H 1 0.83 0.02 . 2 . . . . 50 VAL HG2 . 6590 1 514 . 1 1 50 50 VAL HG23 H 1 0.83 0.02 . 2 . . . . 50 VAL HG2 . 6590 1 515 . 1 1 50 50 VAL CA C 13 68.30 0.3 . 1 . . . . 50 VAL CA . 6590 1 516 . 1 1 50 50 VAL CB C 13 31.62 0.3 . 1 . . . . 50 VAL CB . 6590 1 517 . 1 1 50 50 VAL CG1 C 13 24.14 0.3 . 2 . . . . 50 VAL CG1 . 6590 1 518 . 1 1 50 50 VAL CG2 C 13 21.21 0.3 . 2 . . . . 50 VAL CG2 . 6590 1 519 . 1 1 50 50 VAL N N 15 122.20 0.1 . 1 . . . . 50 VAL N . 6590 1 520 . 1 1 51 51 ASP H H 1 7.68 0.02 . 1 . . . . 51 ASP H . 6590 1 521 . 1 1 51 51 ASP HA H 1 4.31 0.02 . 1 . . . . 51 ASP HA . 6590 1 522 . 1 1 51 51 ASP HB2 H 1 2.76 0.02 . 2 . . . . 51 ASP HB2 . 6590 1 523 . 1 1 51 51 ASP HB3 H 1 2.64 0.02 . 2 . . . . 51 ASP HB3 . 6590 1 524 . 1 1 51 51 ASP CA C 13 57.97 0.3 . 1 . . . . 51 ASP CA . 6590 1 525 . 1 1 51 51 ASP CB C 13 40.40 0.3 . 1 . . . . 51 ASP CB . 6590 1 526 . 1 1 51 51 ASP N N 15 117.76 0.1 . 1 . . . . 51 ASP N . 6590 1 527 . 1 1 52 52 THR H H 1 7.98 0.02 . 1 . . . . 52 THR H . 6590 1 528 . 1 1 52 52 THR HA H 1 3.90 0.02 . 1 . . . . 52 THR HA . 6590 1 529 . 1 1 52 52 THR HB H 1 4.09 0.02 . 1 . . . . 52 THR HB . 6590 1 530 . 1 1 52 52 THR HG21 H 1 1.13 0.02 . 1 . . . . 52 THR HG2 . 6590 1 531 . 1 1 52 52 THR HG22 H 1 1.13 0.02 . 1 . . . . 52 THR HG2 . 6590 1 532 . 1 1 52 52 THR HG23 H 1 1.13 0.02 . 1 . . . . 52 THR HG2 . 6590 1 533 . 1 1 52 52 THR CA C 13 67.50 0.3 . 1 . . . . 52 THR CA . 6590 1 534 . 1 1 52 52 THR CB C 13 69.11 0.3 . 1 . . . . 52 THR CB . 6590 1 535 . 1 1 52 52 THR CG2 C 13 22.84 0.3 . 1 . . . . 52 THR CG2 . 6590 1 536 . 1 1 52 52 THR N N 15 118.26 0.1 . 1 . . . . 52 THR N . 6590 1 537 . 1 1 53 53 ILE H H 1 9.12 0.02 . 1 . . . . 53 ILE H . 6590 1 538 . 1 1 53 53 ILE HA H 1 3.20 0.02 . 1 . . . . 53 ILE HA . 6590 1 539 . 1 1 53 53 ILE HB H 1 1.46 0.02 . 1 . . . . 53 ILE HB . 6590 1 540 . 1 1 53 53 ILE HG12 H 1 1.68 0.02 . 2 . . . . 53 ILE HG12 . 6590 1 541 . 1 1 53 53 ILE HG13 H 1 0.82 0.02 . 2 . . . . 53 ILE HG13 . 6590 1 542 . 1 1 53 53 ILE HG21 H 1 0.41 0.02 . 1 . . . . 53 ILE HG2 . 6590 1 543 . 1 1 53 53 ILE HG22 H 1 0.41 0.02 . 1 . . . . 53 ILE HG2 . 6590 1 544 . 1 1 53 53 ILE HG23 H 1 0.41 0.02 . 1 . . . . 53 ILE HG2 . 6590 1 545 . 1 1 53 53 ILE HD11 H 1 0.33 0.02 . 1 . . . . 53 ILE HD1 . 6590 1 546 . 1 1 53 53 ILE HD12 H 1 0.33 0.02 . 1 . . . . 53 ILE HD1 . 6590 1 547 . 1 1 53 53 ILE HD13 H 1 0.33 0.02 . 1 . . . . 53 ILE HD1 . 6590 1 548 . 1 1 53 53 ILE CA C 13 66.20 0.3 . 1 . . . . 53 ILE CA . 6590 1 549 . 1 1 53 53 ILE CB C 13 38.45 0.3 . 1 . . . . 53 ILE CB . 6590 1 550 . 1 1 53 53 ILE CG1 C 13 30.97 0.3 . 1 . . . . 53 ILE CG1 . 6590 1 551 . 1 1 53 53 ILE CG2 C 13 17.96 0.3 . 1 . . . . 53 ILE CG2 . 6590 1 552 . 1 1 53 53 ILE CD1 C 13 16.33 0.3 . 1 . . . . 53 ILE CD1 . 6590 1 553 . 1 1 53 53 ILE N N 15 123.93 0.1 . 1 . . . . 53 ILE N . 6590 1 554 . 1 1 54 54 ARG H H 1 7.66 0.02 . 1 . . . . 54 ARG H . 6590 1 555 . 1 1 54 54 ARG HA H 1 3.80 0.02 . 1 . . . . 54 ARG HA . 6590 1 556 . 1 1 54 54 ARG HB2 H 1 1.92 0.02 . 2 . . . . 54 ARG HB2 . 6590 1 557 . 1 1 54 54 ARG HB3 H 1 1.82 0.02 . 2 . . . . 54 ARG HB3 . 6590 1 558 . 1 1 54 54 ARG HG2 H 1 1.82 0.02 . 2 . . . . 54 ARG HG2 . 6590 1 559 . 1 1 54 54 ARG HG3 H 1 1.50 0.02 . 2 . . . . 54 ARG HG3 . 6590 1 560 . 1 1 54 54 ARG HD2 H 1 3.19 0.02 . 2 . . . . 54 ARG HD2 . 6590 1 561 . 1 1 54 54 ARG HD3 H 1 3.16 0.02 . 2 . . . . 54 ARG HD3 . 6590 1 562 . 1 1 54 54 ARG CA C 13 60.24 0.3 . 1 . . . . 54 ARG CA . 6590 1 563 . 1 1 54 54 ARG CB C 13 31.29 0.3 . 1 . . . . 54 ARG CB . 6590 1 564 . 1 1 54 54 ARG CG C 13 28.69 0.3 . 1 . . . . 54 ARG CG . 6590 1 565 . 1 1 54 54 ARG CD C 13 43.98 0.3 . 1 . . . . 54 ARG CD . 6590 1 566 . 1 1 54 54 ARG N N 15 116.53 0.1 . 1 . . . . 54 ARG N . 6590 1 567 . 1 1 55 55 GLU H H 1 7.40 0.02 . 1 . . . . 55 GLU H . 6590 1 568 . 1 1 55 55 GLU HA H 1 4.29 0.02 . 1 . . . . 55 GLU HA . 6590 1 569 . 1 1 55 55 GLU HB2 H 1 2.04 0.02 . 2 . . . . 55 GLU HB2 . 6590 1 570 . 1 1 55 55 GLU HB3 H 1 1.93 0.02 . 2 . . . . 55 GLU HB3 . 6590 1 571 . 1 1 55 55 GLU HG2 H 1 2.31 0.02 . 2 . . . . 55 GLU HG2 . 6590 1 572 . 1 1 55 55 GLU HG3 H 1 2.25 0.02 . 2 . . . . 55 GLU HG3 . 6590 1 573 . 1 1 55 55 GLU CA C 13 51.97 0.3 . 1 . . . . 55 GLU CA . 6590 1 574 . 1 1 55 55 GLU CB C 13 31.94 0.3 . 1 . . . . 55 GLU CB . 6590 1 575 . 1 1 55 55 GLU CG C 13 36.50 0.3 . 1 . . . . 55 GLU CG . 6590 1 576 . 1 1 55 55 GLU N N 15 116.53 0.1 . 1 . . . . 55 GLU N . 6590 1 577 . 1 1 56 56 ASP H H 1 8.96 0.02 . 1 . . . . 56 ASP H . 6590 1 578 . 1 1 56 56 ASP HA H 1 4.99 0.02 . 1 . . . . 56 ASP HA . 6590 1 579 . 1 1 56 56 ASP HB2 H 1 2.71 0.02 . 2 . . . . 56 ASP HB2 . 6590 1 580 . 1 1 56 56 ASP HB3 H 1 2.49 0.02 . 2 . . . . 56 ASP HB3 . 6590 1 581 . 1 1 56 56 ASP CA C 13 52.76 0.3 . 1 . . . . 56 ASP CA . 6590 1 582 . 1 1 56 56 ASP CB C 13 41.38 0.3 . 1 . . . . 56 ASP CB . 6590 1 583 . 1 1 56 56 ASP N N 15 118.50 0.1 . 1 . . . . 56 ASP N . 6590 1 584 . 1 1 57 57 PRO HA H 1 4.18 0.02 . 1 . . . . 57 PRO HA . 6590 1 585 . 1 1 57 57 PRO HB2 H 1 2.58 0.02 . 2 . . . . 57 PRO HB2 . 6590 1 586 . 1 1 57 57 PRO HB3 H 1 2.06 0.02 . 2 . . . . 57 PRO HB3 . 6590 1 587 . 1 1 57 57 PRO HG2 H 1 2.10 0.02 . 2 . . . . 57 PRO HG2 . 6590 1 588 . 1 1 57 57 PRO HG3 H 1 1.97 0.02 . 2 . . . . 57 PRO HG3 . 6590 1 589 . 1 1 57 57 PRO HD2 H 1 3.49 0.02 . 2 . . . . 57 PRO HD2 . 6590 1 590 . 1 1 57 57 PRO HD3 H 1 3.81 0.02 . 2 . . . . 57 PRO HD3 . 6590 1 591 . 1 1 57 57 PRO CA C 13 65.80 0.3 . 1 . . . . 57 PRO CA . 6590 1 592 . 1 1 57 57 PRO CB C 13 31.62 0.3 . 1 . . . . 57 PRO CB . 6590 1 593 . 1 1 57 57 PRO CG C 13 27.72 0.3 . 1 . . . . 57 PRO CG . 6590 1 594 . 1 1 57 57 PRO CD C 13 50.48 0.3 . 1 . . . . 57 PRO CD . 6590 1 595 . 1 1 58 58 ASP H H 1 8.41 0.02 . 1 . . . . 58 ASP H . 6590 1 596 . 1 1 58 58 ASP HA H 1 4.48 0.02 . 1 . . . . 58 ASP HA . 6590 1 597 . 1 1 58 58 ASP HB2 H 1 2.70 0.02 . 2 . . . . 58 ASP HB2 . 6590 1 598 . 1 1 58 58 ASP HB3 H 1 2.64 0.02 . 2 . . . . 58 ASP HB3 . 6590 1 599 . 1 1 58 58 ASP CA C 13 56.66 0.3 . 1 . . . . 58 ASP CA . 6590 1 600 . 1 1 58 58 ASP CB C 13 40.73 0.3 . 1 . . . . 58 ASP CB . 6590 1 601 . 1 1 58 58 ASP N N 15 118.01 0.1 . 1 . . . . 58 ASP N . 6590 1 602 . 1 1 59 59 SER H H 1 7.79 0.02 . 1 . . . . 59 SER H . 6590 1 603 . 1 1 59 59 SER HA H 1 4.27 0.02 . 1 . . . . 59 SER HA . 6590 1 604 . 1 1 59 59 SER HB2 H 1 3.90 0.02 . 2 . . . . 59 SER HB2 . 6590 1 605 . 1 1 59 59 SER HB3 H 1 3.84 0.02 . 2 . . . . 59 SER HB3 . 6590 1 606 . 1 1 59 59 SER CA C 13 59.92 0.3 . 1 . . . . 59 SER CA . 6590 1 607 . 1 1 59 59 SER CB C 13 64.47 0.3 . 1 . . . . 59 SER CB . 6590 1 608 . 1 1 59 59 SER N N 15 114.80 0.1 . 1 . . . . 59 SER N . 6590 1 609 . 1 1 60 60 VAL H H 1 7.38 0.02 . 1 . . . . 60 VAL H . 6590 1 610 . 1 1 60 60 VAL HA H 1 4.38 0.02 . 1 . . . . 60 VAL HA . 6590 1 611 . 1 1 60 60 VAL HB H 1 2.22 0.02 . 1 . . . . 60 VAL HB . 6590 1 612 . 1 1 60 60 VAL HG11 H 1 0.97 0.02 . 2 . . . . 60 VAL HG1 . 6590 1 613 . 1 1 60 60 VAL HG12 H 1 0.97 0.02 . 2 . . . . 60 VAL HG1 . 6590 1 614 . 1 1 60 60 VAL HG13 H 1 0.97 0.02 . 2 . . . . 60 VAL HG1 . 6590 1 615 . 1 1 60 60 VAL HG21 H 1 0.85 0.02 . 2 . . . . 60 VAL HG2 . 6590 1 616 . 1 1 60 60 VAL HG22 H 1 0.85 0.02 . 2 . . . . 60 VAL HG2 . 6590 1 617 . 1 1 60 60 VAL HG23 H 1 0.85 0.02 . 2 . . . . 60 VAL HG2 . 6590 1 618 . 1 1 60 60 VAL CA C 13 60.24 0.3 . 1 . . . . 60 VAL CA . 6590 1 619 . 1 1 60 60 VAL CB C 13 32.92 0.3 . 1 . . . . 60 VAL CB . 6590 1 620 . 1 1 60 60 VAL CG1 C 13 21.86 0.3 . 2 . . . . 60 VAL CG1 . 6590 1 621 . 1 1 60 60 VAL CG2 C 13 22.19 0.3 . 2 . . . . 60 VAL CG2 . 6590 1 622 . 1 1 60 60 VAL N N 15 126.15 0.1 . 1 . . . . 60 VAL N . 6590 1 623 . 1 1 61 61 PRO HA H 1 4.65 0.02 . 1 . . . . 61 PRO HA . 6590 1 624 . 1 1 61 61 PRO HB2 H 1 2.35 0.02 . 2 . . . . 61 PRO HB2 . 6590 1 625 . 1 1 61 61 PRO HB3 H 1 1.82 0.02 . 2 . . . . 61 PRO HB3 . 6590 1 626 . 1 1 61 61 PRO HG2 H 1 2.08 0.02 . 2 . . . . 61 PRO HG2 . 6590 1 627 . 1 1 61 61 PRO HG3 H 1 2.00 0.02 . 2 . . . . 61 PRO HG3 . 6590 1 628 . 1 1 61 61 PRO HD2 H 1 3.69 0.02 . 2 . . . . 61 PRO HD2 . 6590 1 629 . 1 1 61 61 PRO HD3 H 1 4.01 0.02 . 2 . . . . 61 PRO HD3 . 6590 1 630 . 1 1 61 61 PRO CA C 13 61.87 0.3 . 1 . . . . 61 PRO CA . 6590 1 631 . 1 1 61 61 PRO CB C 13 30.79 0.3 . 1 . . . . 61 PRO CB . 6590 1 632 . 1 1 61 61 PRO CG C 13 28.04 0.3 . 1 . . . . 61 PRO CG . 6590 1 633 . 1 1 61 61 PRO CD C 13 51.79 0.3 . 1 . . . . 61 PRO CD . 6590 1 634 . 1 1 62 62 PRO HA H 1 4.31 0.02 . 1 . . . . 62 PRO HA . 6590 1 635 . 1 1 62 62 PRO HB2 H 1 1.84 0.02 . 2 . . . . 62 PRO HB2 . 6590 1 636 . 1 1 62 62 PRO HB3 H 1 1.68 0.02 . 2 . . . . 62 PRO HB3 . 6590 1 637 . 1 1 62 62 PRO HG2 H 1 1.93 0.02 . 2 . . . . 62 PRO HG2 . 6590 1 638 . 1 1 62 62 PRO HG3 H 1 1.89 0.02 . 2 . . . . 62 PRO HG3 . 6590 1 639 . 1 1 62 62 PRO HD2 H 1 3.57 0.02 . 2 . . . . 62 PRO HD2 . 6590 1 640 . 1 1 62 62 PRO HD3 H 1 3.82 0.02 . 2 . . . . 62 PRO HD3 . 6590 1 641 . 1 1 62 62 PRO CA C 13 62.84 0.3 . 1 . . . . 62 PRO CA . 6590 1 642 . 1 1 62 62 PRO CB C 13 32.27 0.3 . 1 . . . . 62 PRO CB . 6590 1 643 . 1 1 62 62 PRO CG C 13 27.72 0.3 . 1 . . . . 62 PRO CG . 6590 1 644 . 1 1 62 62 PRO CD C 13 51.14 0.3 . 1 . . . . 62 PRO CD . 6590 1 645 . 1 1 63 63 ILE H H 1 7.89 0.02 . 1 . . . . 63 ILE H . 6590 1 646 . 1 1 63 63 ILE HA H 1 4.36 0.02 . 1 . . . . 63 ILE HA . 6590 1 647 . 1 1 63 63 ILE HB H 1 2.03 0.02 . 1 . . . . 63 ILE HB . 6590 1 648 . 1 1 63 63 ILE HG12 H 1 1.35 0.02 . 2 . . . . 63 ILE HG12 . 6590 1 649 . 1 1 63 63 ILE HG13 H 1 1.06 0.02 . 2 . . . . 63 ILE HG13 . 6590 1 650 . 1 1 63 63 ILE HG21 H 1 0.99 0.02 . 1 . . . . 63 ILE HG2 . 6590 1 651 . 1 1 63 63 ILE HG22 H 1 0.99 0.02 . 1 . . . . 63 ILE HG2 . 6590 1 652 . 1 1 63 63 ILE HG23 H 1 0.99 0.02 . 1 . . . . 63 ILE HG2 . 6590 1 653 . 1 1 63 63 ILE HD11 H 1 0.73 0.02 . 1 . . . . 63 ILE HD1 . 6590 1 654 . 1 1 63 63 ILE HD12 H 1 0.73 0.02 . 1 . . . . 63 ILE HD1 . 6590 1 655 . 1 1 63 63 ILE HD13 H 1 0.73 0.02 . 1 . . . . 63 ILE HD1 . 6590 1 656 . 1 1 63 63 ILE CA C 13 61.87 0.3 . 1 . . . . 63 ILE CA . 6590 1 657 . 1 1 63 63 ILE CB C 13 39.10 0.3 . 1 . . . . 63 ILE CB . 6590 1 658 . 1 1 63 63 ILE CG1 C 13 25.44 0.3 . 1 . . . . 63 ILE CG1 . 6590 1 659 . 1 1 63 63 ILE CG2 C 13 19.58 0.3 . 1 . . . . 63 ILE CG2 . 6590 1 660 . 1 1 63 63 ILE CD1 C 13 15.05 0.3 . 1 . . . . 63 ILE CD1 . 6590 1 661 . 1 1 63 63 ILE N N 15 116.28 0.1 . 1 . . . . 63 ILE N . 6590 1 662 . 1 1 64 64 ASP H H 1 8.79 0.02 . 1 . . . . 64 ASP H . 6590 1 663 . 1 1 64 64 ASP HA H 1 5.14 0.02 . 1 . . . . 64 ASP HA . 6590 1 664 . 1 1 64 64 ASP HB2 H 1 2.70 0.02 . 2 . . . . 64 ASP HB2 . 6590 1 665 . 1 1 64 64 ASP HB3 H 1 2.52 0.02 . 2 . . . . 64 ASP HB3 . 6590 1 666 . 1 1 64 64 ASP CA C 13 55.36 0.3 . 1 . . . . 64 ASP CA . 6590 1 667 . 1 1 64 64 ASP CB C 13 42.03 0.3 . 1 . . . . 64 ASP CB . 6590 1 668 . 1 1 64 64 ASP N N 15 122.45 0.1 . 1 . . . . 64 ASP N . 6590 1 669 . 1 1 65 65 VAL H H 1 9.06 0.02 . 1 . . . . 65 VAL H . 6590 1 670 . 1 1 65 65 VAL HA H 1 4.69 0.02 . 1 . . . . 65 VAL HA . 6590 1 671 . 1 1 65 65 VAL HB H 1 1.88 0.02 . 1 . . . . 65 VAL HB . 6590 1 672 . 1 1 65 65 VAL HG11 H 1 0.82 0.02 . 2 . . . . 65 VAL HG1 . 6590 1 673 . 1 1 65 65 VAL HG12 H 1 0.82 0.02 . 2 . . . . 65 VAL HG1 . 6590 1 674 . 1 1 65 65 VAL HG13 H 1 0.82 0.02 . 2 . . . . 65 VAL HG1 . 6590 1 675 . 1 1 65 65 VAL HG21 H 1 0.70 0.02 . 2 . . . . 65 VAL HG2 . 6590 1 676 . 1 1 65 65 VAL HG22 H 1 0.70 0.02 . 2 . . . . 65 VAL HG2 . 6590 1 677 . 1 1 65 65 VAL HG23 H 1 0.70 0.02 . 2 . . . . 65 VAL HG2 . 6590 1 678 . 1 1 65 65 VAL CA C 13 61.22 0.3 . 1 . . . . 65 VAL CA . 6590 1 679 . 1 1 65 65 VAL CB C 13 36.17 0.3 . 1 . . . . 65 VAL CB . 6590 1 680 . 1 1 65 65 VAL CG1 C 13 22.84 0.3 . 2 . . . . 65 VAL CG1 . 6590 1 681 . 1 1 65 65 VAL CG2 C 13 24.46 0.3 . 2 . . . . 65 VAL CG2 . 6590 1 682 . 1 1 65 65 VAL N N 15 128.12 0.1 . 1 . . . . 65 VAL N . 6590 1 683 . 1 1 66 66 LEU H H 1 9.34 0.02 . 1 . . . . 66 LEU H . 6590 1 684 . 1 1 66 66 LEU HA H 1 4.89 0.02 . 1 . . . . 66 LEU HA . 6590 1 685 . 1 1 66 66 LEU HB2 H 1 1.96 0.02 . 2 . . . . 66 LEU HB2 . 6590 1 686 . 1 1 66 66 LEU HB3 H 1 1.51 0.02 . 2 . . . . 66 LEU HB3 . 6590 1 687 . 1 1 66 66 LEU HG H 1 1.98 0.02 . 1 . . . . 66 LEU HG . 6590 1 688 . 1 1 66 66 LEU HD11 H 1 0.95 0.02 . 2 . . . . 66 LEU HD1 . 6590 1 689 . 1 1 66 66 LEU HD12 H 1 0.95 0.02 . 2 . . . . 66 LEU HD1 . 6590 1 690 . 1 1 66 66 LEU HD13 H 1 0.95 0.02 . 2 . . . . 66 LEU HD1 . 6590 1 691 . 1 1 66 66 LEU HD21 H 1 0.90 0.02 . 2 . . . . 66 LEU HD2 . 6590 1 692 . 1 1 66 66 LEU HD22 H 1 0.90 0.02 . 2 . . . . 66 LEU HD2 . 6590 1 693 . 1 1 66 66 LEU HD23 H 1 0.90 0.02 . 2 . . . . 66 LEU HD2 . 6590 1 694 . 1 1 66 66 LEU CA C 13 55.36 0.3 . 1 . . . . 66 LEU CA . 6590 1 695 . 1 1 66 66 LEU CB C 13 42.68 0.3 . 1 . . . . 66 LEU CB . 6590 1 696 . 1 1 66 66 LEU CG C 13 28.37 0.3 . 1 . . . . 66 LEU CG . 6590 1 697 . 1 1 66 66 LEU CD1 C 13 26.09 0.3 . 2 . . . . 66 LEU CD1 . 6590 1 698 . 1 1 66 66 LEU CD2 C 13 23.81 0.3 . 2 . . . . 66 LEU CD2 . 6590 1 699 . 1 1 66 66 LEU N N 15 128.37 0.1 . 1 . . . . 66 LEU N . 6590 1 700 . 1 1 67 67 TRP H H 1 8.72 0.02 . 1 . . . . 67 TRP H . 6590 1 701 . 1 1 67 67 TRP HA H 1 5.65 0.02 . 1 . . . . 67 TRP HA . 6590 1 702 . 1 1 67 67 TRP HB2 H 1 3.24 0.02 . 2 . . . . 67 TRP HB2 . 6590 1 703 . 1 1 67 67 TRP HB3 H 1 2.76 0.02 . 2 . . . . 67 TRP HB3 . 6590 1 704 . 1 1 67 67 TRP HD1 H 1 6.60 0.02 . 1 . . . . 67 TRP HD1 . 6590 1 705 . 1 1 67 67 TRP HE1 H 1 10.81 0.02 . 1 . . . . 67 TRP HE1 . 6590 1 706 . 1 1 67 67 TRP HE3 H 1 7.31 0.02 . 1 . . . . 67 TRP HE3 . 6590 1 707 . 1 1 67 67 TRP HZ2 H 1 7.42 0.02 . 1 . . . . 67 TRP HZ2 . 6590 1 708 . 1 1 67 67 TRP HZ3 H 1 7.08 0.02 . 1 . . . . 67 TRP HZ3 . 6590 1 709 . 1 1 67 67 TRP HH2 H 1 7.19 0.02 . 1 . . . . 67 TRP HH2 . 6590 1 710 . 1 1 67 67 TRP CA C 13 53.74 0.3 . 1 . . . . 67 TRP CA . 6590 1 711 . 1 1 67 67 TRP CB C 13 30.64 0.3 . 1 . . . . 67 TRP CB . 6590 1 712 . 1 1 67 67 TRP CD1 C 13 125.47 0.3 . 1 . . . . 67 TRP CD1 . 6590 1 713 . 1 1 67 67 TRP CE3 C 13 120.78 0.3 . 1 . . . . 67 TRP CE3 . 6590 1 714 . 1 1 67 67 TRP CZ2 C 13 114.69 0.3 . 1 . . . . 67 TRP CZ2 . 6590 1 715 . 1 1 67 67 TRP CZ3 C 13 122.19 0.3 . 1 . . . . 67 TRP CZ3 . 6590 1 716 . 1 1 67 67 TRP CH2 C 13 125.47 0.3 . 1 . . . . 67 TRP CH2 . 6590 1 717 . 1 1 67 67 TRP N N 15 127.88 0.1 . 1 . . . . 67 TRP N . 6590 1 718 . 1 1 67 67 TRP NE1 N 15 130.65 0.1 . 1 . . . . 67 TRP NE1 . 6590 1 719 . 1 1 68 68 ILE H H 1 9.39 0.02 . 1 . . . . 68 ILE H . 6590 1 720 . 1 1 68 68 ILE HA H 1 4.29 0.02 . 1 . . . . 68 ILE HA . 6590 1 721 . 1 1 68 68 ILE HB H 1 1.62 0.02 . 1 . . . . 68 ILE HB . 6590 1 722 . 1 1 68 68 ILE HG12 H 1 1.36 0.02 . 1 . . . . 68 ILE HG12 . 6590 1 723 . 1 1 68 68 ILE HG13 H 1 0.88 0.02 . 1 . . . . 68 ILE HG13 . 6590 1 724 . 1 1 68 68 ILE HG21 H 1 0.69 0.02 . 1 . . . . 68 ILE HG2 . 6590 1 725 . 1 1 68 68 ILE HG22 H 1 0.69 0.02 . 1 . . . . 68 ILE HG2 . 6590 1 726 . 1 1 68 68 ILE HG23 H 1 0.69 0.02 . 1 . . . . 68 ILE HG2 . 6590 1 727 . 1 1 68 68 ILE HD11 H 1 0.63 0.02 . 1 . . . . 68 ILE HD1 . 6590 1 728 . 1 1 68 68 ILE HD12 H 1 0.63 0.02 . 1 . . . . 68 ILE HD1 . 6590 1 729 . 1 1 68 68 ILE HD13 H 1 0.63 0.02 . 1 . . . . 68 ILE HD1 . 6590 1 730 . 1 1 68 68 ILE CA C 13 59.92 0.3 . 1 . . . . 68 ILE CA . 6590 1 731 . 1 1 68 68 ILE CB C 13 41.70 0.3 . 1 . . . . 68 ILE CB . 6590 1 732 . 1 1 68 68 ILE CG1 C 13 29.02 0.3 . 1 . . . . 68 ILE CG1 . 6590 1 733 . 1 1 68 68 ILE CG2 C 13 18.61 0.3 . 1 . . . . 68 ILE CG2 . 6590 1 734 . 1 1 68 68 ILE CD1 C 13 15.68 0.3 . 1 . . . . 68 ILE CD1 . 6590 1 735 . 1 1 68 68 ILE N N 15 128.12 0.1 . 1 . . . . 68 ILE N . 6590 1 736 . 1 1 69 69 LYS H H 1 8.09 0.02 . 1 . . . . 69 LYS H . 6590 1 737 . 1 1 69 69 LYS HA H 1 5.31 0.02 . 1 . . . . 69 LYS HA . 6590 1 738 . 1 1 69 69 LYS HB2 H 1 1.57 0.02 . 1 . . . . 69 LYS HB2 . 6590 1 739 . 1 1 69 69 LYS HB3 H 1 1.57 0.02 . 1 . . . . 69 LYS HB3 . 6590 1 740 . 1 1 69 69 LYS HG2 H 1 1.31 0.02 . 2 . . . . 69 LYS HG2 . 6590 1 741 . 1 1 69 69 LYS HG3 H 1 1.19 0.02 . 2 . . . . 69 LYS HG3 . 6590 1 742 . 1 1 69 69 LYS HD2 H 1 1.57 0.02 . 2 . . . . 69 LYS HD2 . 6590 1 743 . 1 1 69 69 LYS HD3 H 1 1.44 0.02 . 2 . . . . 69 LYS HD3 . 6590 1 744 . 1 1 69 69 LYS HE2 H 1 2.80 0.02 . 2 . . . . 69 LYS HE2 . 6590 1 745 . 1 1 69 69 LYS HE3 H 1 2.67 0.02 . 2 . . . . 69 LYS HE3 . 6590 1 746 . 1 1 69 69 LYS CA C 13 53.41 0.3 . 1 . . . . 69 LYS CA . 6590 1 747 . 1 1 69 69 LYS CB C 13 33.57 0.3 . 1 . . . . 69 LYS CB . 6590 1 748 . 1 1 69 69 LYS CG C 13 24.46 0.3 . 1 . . . . 69 LYS CG . 6590 1 749 . 1 1 69 69 LYS CD C 13 28.69 0.3 . 1 . . . . 69 LYS CD . 6590 1 750 . 1 1 69 69 LYS CE C 13 42.35 0.3 . 1 . . . . 69 LYS CE . 6590 1 751 . 1 1 69 69 LYS N N 15 126.40 0.1 . 1 . . . . 69 LYS N . 6590 1 752 . 1 1 70 70 GLY H H 1 9.66 0.02 . 1 . . . . 70 GLY H . 6590 1 753 . 1 1 70 70 GLY HA2 H 1 3.98 0.02 . 2 . . . . 70 GLY HA2 . 6590 1 754 . 1 1 70 70 GLY HA3 H 1 3.61 0.02 . 2 . . . . 70 GLY HA3 . 6590 1 755 . 1 1 70 70 GLY CA C 13 44.63 0.3 . 1 . . . . 70 GLY CA . 6590 1 756 . 1 1 70 70 GLY N N 15 110.36 0.1 . 1 . . . . 70 GLY N . 6590 1 757 . 1 1 71 71 ALA H H 1 8.74 0.02 . 1 . . . . 71 ALA H . 6590 1 758 . 1 1 71 71 ALA HA H 1 4.14 0.02 . 1 . . . . 71 ALA HA . 6590 1 759 . 1 1 71 71 ALA HB1 H 1 1.56 0.02 . 1 . . . . 71 ALA HB . 6590 1 760 . 1 1 71 71 ALA HB2 H 1 1.56 0.02 . 1 . . . . 71 ALA HB . 6590 1 761 . 1 1 71 71 ALA HB3 H 1 1.56 0.02 . 1 . . . . 71 ALA HB . 6590 1 762 . 1 1 71 71 ALA CA C 13 55.36 0.3 . 1 . . . . 71 ALA CA . 6590 1 763 . 1 1 71 71 ALA CB C 13 19.58 0.3 . 1 . . . . 71 ALA CB . 6590 1 764 . 1 1 71 71 ALA N N 15 123.68 0.1 . 1 . . . . 71 ALA N . 6590 1 765 . 1 1 72 72 GLN H H 1 9.62 0.02 . 1 . . . . 72 GLN H . 6590 1 766 . 1 1 72 72 GLN HA H 1 4.59 0.02 . 1 . . . . 72 GLN HA . 6590 1 767 . 1 1 72 72 GLN HB2 H 1 2.46 0.02 . 2 . . . . 72 GLN HB2 . 6590 1 768 . 1 1 72 72 GLN HB3 H 1 1.77 0.02 . 2 . . . . 72 GLN HB3 . 6590 1 769 . 1 1 72 72 GLN HG2 H 1 2.48 0.02 . 2 . . . . 72 GLN HG2 . 6590 1 770 . 1 1 72 72 GLN HG3 H 1 2.29 0.02 . 2 . . . . 72 GLN HG3 . 6590 1 771 . 1 1 72 72 GLN HE21 H 1 6.79 0.02 . 1 . . . . 72 GLN HE21 . 6590 1 772 . 1 1 72 72 GLN HE22 H 1 7.79 0.02 . 1 . . . . 72 GLN HE22 . 6590 1 773 . 1 1 72 72 GLN CA C 13 55.04 0.3 . 1 . . . . 72 GLN CA . 6590 1 774 . 1 1 72 72 GLN CB C 13 29.34 0.3 . 1 . . . . 72 GLN CB . 6590 1 775 . 1 1 72 72 GLN CG C 13 34.55 0.3 . 1 . . . . 72 GLN CG . 6590 1 776 . 1 1 72 72 GLN N N 15 116.28 0.1 . 1 . . . . 72 GLN N . 6590 1 777 . 1 1 72 72 GLN NE2 N 15 113.57 0.1 . 1 . . . . 72 GLN NE2 . 6590 1 778 . 1 1 73 73 GLY H H 1 7.79 0.02 . 1 . . . . 73 GLY H . 6590 1 779 . 1 1 73 73 GLY HA2 H 1 4.31 0.02 . 2 . . . . 73 GLY HA2 . 6590 1 780 . 1 1 73 73 GLY HA3 H 1 3.55 0.02 . 2 . . . . 73 GLY HA3 . 6590 1 781 . 1 1 73 73 GLY CA C 13 45.61 0.3 . 1 . . . . 73 GLY CA . 6590 1 782 . 1 1 73 73 GLY N N 15 108.14 0.1 . 1 . . . . 73 GLY N . 6590 1 783 . 1 1 74 74 GLY H H 1 9.05 0.02 . 1 . . . . 74 GLY H . 6590 1 784 . 1 1 74 74 GLY HA2 H 1 3.94 0.02 . 2 . . . . 74 GLY HA2 . 6590 1 785 . 1 1 74 74 GLY HA3 H 1 3.87 0.02 . 2 . . . . 74 GLY HA3 . 6590 1 786 . 1 1 74 74 GLY CA C 13 45.61 0.3 . 1 . . . . 74 GLY CA . 6590 1 787 . 1 1 74 74 GLY N N 15 111.35 0.1 . 1 . . . . 74 GLY N . 6590 1 788 . 1 1 75 75 ASP H H 1 7.97 0.02 . 1 . . . . 75 ASP H . 6590 1 789 . 1 1 75 75 ASP HA H 1 5.12 0.02 . 1 . . . . 75 ASP HA . 6590 1 790 . 1 1 75 75 ASP HB2 H 1 2.37 0.02 . 2 . . . . 75 ASP HB2 . 6590 1 791 . 1 1 75 75 ASP HB3 H 1 2.11 0.02 . 2 . . . . 75 ASP HB3 . 6590 1 792 . 1 1 75 75 ASP CA C 13 55.36 0.3 . 1 . . . . 75 ASP CA . 6590 1 793 . 1 1 75 75 ASP CB C 13 45.28 0.3 . 1 . . . . 75 ASP CB . 6590 1 794 . 1 1 75 75 ASP N N 15 120.72 0.1 . 1 . . . . 75 ASP N . 6590 1 795 . 1 1 76 76 TYR H H 1 8.65 0.02 . 1 . . . . 76 TYR H . 6590 1 796 . 1 1 76 76 TYR HA H 1 4.39 0.02 . 1 . . . . 76 TYR HA . 6590 1 797 . 1 1 76 76 TYR HB2 H 1 2.85 0.02 . 2 . . . . 76 TYR HB2 . 6590 1 798 . 1 1 76 76 TYR HB3 H 1 2.82 0.02 . 2 . . . . 76 TYR HB3 . 6590 1 799 . 1 1 76 76 TYR HD1 H 1 6.97 0.02 . 1 . . . . 76 TYR HD1 . 6590 1 800 . 1 1 76 76 TYR HD2 H 1 6.97 0.02 . 1 . . . . 76 TYR HD2 . 6590 1 801 . 1 1 76 76 TYR HE1 H 1 6.60 0.02 . 1 . . . . 76 TYR HE1 . 6590 1 802 . 1 1 76 76 TYR HE2 H 1 6.60 0.02 . 1 . . . . 76 TYR HE2 . 6590 1 803 . 1 1 76 76 TYR CA C 13 57.64 0.3 . 1 . . . . 76 TYR CA . 6590 1 804 . 1 1 76 76 TYR CB C 13 41.70 0.3 . 1 . . . . 76 TYR CB . 6590 1 805 . 1 1 76 76 TYR CD1 C 13 134.38 0.3 . 1 . . . . 76 TYR CD1 . 6590 1 806 . 1 1 76 76 TYR CD2 C 13 134.38 0.3 . 1 . . . . 76 TYR CD2 . 6590 1 807 . 1 1 76 76 TYR CE1 C 13 117.97 0.3 . 1 . . . . 76 TYR CE1 . 6590 1 808 . 1 1 76 76 TYR CE2 C 13 117.97 0.3 . 1 . . . . 76 TYR CE2 . 6590 1 809 . 1 1 76 76 TYR N N 15 120.97 0.1 . 1 . . . . 76 TYR N . 6590 1 810 . 1 1 77 77 PHE H H 1 8.83 0.02 . 1 . . . . 77 PHE H . 6590 1 811 . 1 1 77 77 PHE HA H 1 5.35 0.02 . 1 . . . . 77 PHE HA . 6590 1 812 . 1 1 77 77 PHE HB2 H 1 2.83 0.02 . 2 . . . . 77 PHE HB2 . 6590 1 813 . 1 1 77 77 PHE HB3 H 1 2.48 0.02 . 2 . . . . 77 PHE HB3 . 6590 1 814 . 1 1 77 77 PHE HD1 H 1 6.87 0.02 . 1 . . . . 77 PHE HD1 . 6590 1 815 . 1 1 77 77 PHE HD2 H 1 6.87 0.02 . 1 . . . . 77 PHE HD2 . 6590 1 816 . 1 1 77 77 PHE HE1 H 1 6.35 0.02 . 1 . . . . 77 PHE HE1 . 6590 1 817 . 1 1 77 77 PHE HE2 H 1 6.35 0.02 . 1 . . . . 77 PHE HE2 . 6590 1 818 . 1 1 77 77 PHE HZ H 1 6.38 0.02 . 1 . . . . 77 PHE HZ . 6590 1 819 . 1 1 77 77 PHE CA C 13 56.01 0.02 . 1 . . . . 77 PHE CA . 6590 1 820 . 1 1 77 77 PHE CB C 13 40.08 0.02 . 1 . . . . 77 PHE CB . 6590 1 821 . 1 1 77 77 PHE CD1 C 13 131.56 0.02 . 1 . . . . 77 PHE CD1 . 6590 1 822 . 1 1 77 77 PHE CD2 C 13 131.56 0.02 . 1 . . . . 77 PHE CD2 . 6590 1 823 . 1 1 77 77 PHE CE1 C 13 131.09 0.02 . 1 . . . . 77 PHE CE1 . 6590 1 824 . 1 1 77 77 PHE CE2 C 13 131.09 0.02 . 1 . . . . 77 PHE CE2 . 6590 1 825 . 1 1 77 77 PHE CZ C 13 128.75 0.02 . 1 . . . . 77 PHE CZ . 6590 1 826 . 1 1 77 77 PHE N N 15 123.19 0.1 . 1 . . . . 77 PHE N . 6590 1 827 . 1 1 78 78 TYR H H 1 9.23 0.02 . 1 . . . . 78 TYR H . 6590 1 828 . 1 1 78 78 TYR HA H 1 4.91 0.02 . 1 . . . . 78 TYR HA . 6590 1 829 . 1 1 78 78 TYR HB2 H 1 2.88 0.02 . 2 . . . . 78 TYR HB2 . 6590 1 830 . 1 1 78 78 TYR HB3 H 1 2.53 0.02 . 2 . . . . 78 TYR HB3 . 6590 1 831 . 1 1 78 78 TYR HD1 H 1 6.66 0.02 . 1 . . . . 78 TYR HD1 . 6590 1 832 . 1 1 78 78 TYR HD2 H 1 6.66 0.02 . 1 . . . . 78 TYR HD2 . 6590 1 833 . 1 1 78 78 TYR HE1 H 1 6.60 0.02 . 1 . . . . 78 TYR HE1 . 6590 1 834 . 1 1 78 78 TYR HE2 H 1 6.60 0.02 . 1 . . . . 78 TYR HE2 . 6590 1 835 . 1 1 78 78 TYR CA C 13 57.97 0.3 . 1 . . . . 78 TYR CA . 6590 1 836 . 1 1 78 78 TYR CB C 13 43.00 0.3 . 1 . . . . 78 TYR CB . 6590 1 837 . 1 1 78 78 TYR CD1 C 13 132.50 0.3 . 1 . . . . 78 TYR CD1 . 6590 1 838 . 1 1 78 78 TYR CD2 C 13 132.50 0.3 . 1 . . . . 78 TYR CD2 . 6590 1 839 . 1 1 78 78 TYR CE1 C 13 118.91 0.3 . 1 . . . . 78 TYR CE1 . 6590 1 840 . 1 1 78 78 TYR CE2 C 13 118.91 0.3 . 1 . . . . 78 TYR CE2 . 6590 1 841 . 1 1 78 78 TYR N N 15 123.68 0.1 . 1 . . . . 78 TYR N . 6590 1 842 . 1 1 79 79 SER H H 1 8.37 0.02 . 1 . . . . 79 SER H . 6590 1 843 . 1 1 79 79 SER HA H 1 4.86 0.02 . 1 . . . . 79 SER HA . 6590 1 844 . 1 1 79 79 SER HB2 H 1 3.45 0.02 . 2 . . . . 79 SER HB2 . 6590 1 845 . 1 1 79 79 SER HB3 H 1 3.19 0.02 . 2 . . . . 79 SER HB3 . 6590 1 846 . 1 1 79 79 SER HG H 1 5.58 0.02 . 1 . . . . 79 SER HG . 6590 1 847 . 1 1 79 79 SER CA C 13 56.66 0.3 . 1 . . . . 79 SER CA . 6590 1 848 . 1 1 79 79 SER CB C 13 64.88 0.3 . 1 . . . . 79 SER CB . 6590 1 849 . 1 1 79 79 SER N N 15 115.79 0.1 . 1 . . . . 79 SER N . 6590 1 850 . 1 1 80 80 PHE H H 1 8.89 0.02 . 1 . . . . 80 PHE H . 6590 1 851 . 1 1 80 80 PHE HA H 1 4.59 0.02 . 1 . . . . 80 PHE HA . 6590 1 852 . 1 1 80 80 PHE HB2 H 1 3.12 0.02 . 2 . . . . 80 PHE HB2 . 6590 1 853 . 1 1 80 80 PHE HB3 H 1 2.37 0.02 . 2 . . . . 80 PHE HB3 . 6590 1 854 . 1 1 80 80 PHE HD1 H 1 6.92 0.02 . 1 . . . . 80 PHE HD1 . 6590 1 855 . 1 1 80 80 PHE HD2 H 1 6.92 0.02 . 1 . . . . 80 PHE HD2 . 6590 1 856 . 1 1 80 80 PHE HE1 H 1 6.82 0.02 . 1 . . . . 80 PHE HE1 . 6590 1 857 . 1 1 80 80 PHE HE2 H 1 6.82 0.02 . 1 . . . . 80 PHE HE2 . 6590 1 858 . 1 1 80 80 PHE HZ H 1 6.78 0.02 . 1 . . . . 80 PHE HZ . 6590 1 859 . 1 1 80 80 PHE CA C 13 58.29 0.3 . 1 . . . . 80 PHE CA . 6590 1 860 . 1 1 80 80 PHE CB C 13 41.05 0.3 . 1 . . . . 80 PHE CB . 6590 1 861 . 1 1 80 80 PHE CD1 C 13 132.20 0.3 . 1 . . . . 80 PHE CD1 . 6590 1 862 . 1 1 80 80 PHE CD2 C 13 132.20 0.3 . 1 . . . . 80 PHE CD2 . 6590 1 863 . 1 1 80 80 PHE CE1 C 13 130.63 0.3 . 1 . . . . 80 PHE CE1 . 6590 1 864 . 1 1 80 80 PHE CE2 C 13 130.63 0.3 . 1 . . . . 80 PHE CE2 . 6590 1 865 . 1 1 80 80 PHE CZ C 13 127.49 0.3 . 1 . . . . 80 PHE CZ . 6590 1 866 . 1 1 80 80 PHE N N 15 127.14 0.1 . 1 . . . . 80 PHE N . 6590 1 867 . 1 1 81 81 GLY H H 1 8.43 0.02 . 1 . . . . 81 GLY H . 6590 1 868 . 1 1 81 81 GLY HA2 H 1 4.42 0.02 . 2 . . . . 81 GLY HA2 . 6590 1 869 . 1 1 81 81 GLY HA3 H 1 4.16 0.02 . 2 . . . . 81 GLY HA3 . 6590 1 870 . 1 1 81 81 GLY CA C 13 45.28 0.3 . 1 . . . . 81 GLY CA . 6590 1 871 . 1 1 81 81 GLY N N 15 111.59 0.1 . 1 . . . . 81 GLY N . 6590 1 872 . 1 1 82 82 GLY H H 1 9.24 0.02 . 1 . . . . 82 GLY H . 6590 1 873 . 1 1 82 82 GLY HA2 H 1 4.60 0.02 . 2 . . . . 82 GLY HA2 . 6590 1 874 . 1 1 82 82 GLY HA3 H 1 3.84 0.02 . 2 . . . . 82 GLY HA3 . 6590 1 875 . 1 1 82 82 GLY CA C 13 48.21 0.3 . 1 . . . . 82 GLY CA . 6590 1 876 . 1 1 82 82 GLY N N 15 111.59 0.1 . 1 . . . . 82 GLY N . 6590 1 877 . 1 1 83 83 CYS H H 1 7.93 0.02 . 1 . . . . 83 CYS H . 6590 1 878 . 1 1 83 83 CYS HA H 1 3.72 0.02 . 1 . . . . 83 CYS HA . 6590 1 879 . 1 1 83 83 CYS HB2 H 1 2.82 0.02 . 2 . . . . 83 CYS HB2 . 6590 1 880 . 1 1 83 83 CYS HB3 H 1 2.53 0.02 . 2 . . . . 83 CYS HB3 . 6590 1 881 . 1 1 83 83 CYS CA C 13 62.84 0.3 . 1 . . . . 83 CYS CA . 6590 1 882 . 1 1 83 83 CYS CB C 13 29.34 0.3 . 1 . . . . 83 CYS CB . 6590 1 883 . 1 1 83 83 CYS N N 15 118.01 0.1 . 1 . . . . 83 CYS N . 6590 1 884 . 1 1 84 84 HIS H H 1 10.40 0.02 . 1 . . . . 84 HIS H . 6590 1 885 . 1 1 84 84 HIS HA H 1 4.05 0.02 . 1 . . . . 84 HIS HA . 6590 1 886 . 1 1 84 84 HIS HB2 H 1 3.59 0.02 . 2 . . . . 84 HIS HB2 . 6590 1 887 . 1 1 84 84 HIS HB3 H 1 2.82 0.02 . 2 . . . . 84 HIS HB3 . 6590 1 888 . 1 1 84 84 HIS HD2 H 1 7.03 0.02 . 1 . . . . 84 HIS HD2 . 6590 1 889 . 1 1 84 84 HIS HE1 H 1 7.82 0.02 . 1 . . . . 84 HIS HE1 . 6590 1 890 . 1 1 84 84 HIS CA C 13 62.84 0.3 . 1 . . . . 84 HIS CA . 6590 1 891 . 1 1 84 84 HIS CB C 13 27.72 0.3 . 1 . . . . 84 HIS CB . 6590 1 892 . 1 1 84 84 HIS CD2 C 13 127.73 0.3 . 1 . . . . 84 HIS CD2 . 6590 1 893 . 1 1 84 84 HIS CE1 C 13 138.59 0.3 . 1 . . . . 84 HIS CE1 . 6590 1 894 . 1 1 84 84 HIS N N 15 123.44 0.1 . 1 . . . . 84 HIS N . 6590 1 895 . 1 1 85 85 ARG H H 1 9.68 0.02 . 1 . . . . 85 ARG H . 6590 1 896 . 1 1 85 85 ARG HA H 1 3.83 0.02 . 1 . . . . 85 ARG HA . 6590 1 897 . 1 1 85 85 ARG HB2 H 1 1.89 0.02 . 2 . . . . 85 ARG HB2 . 6590 1 898 . 1 1 85 85 ARG HB3 H 1 1.71 0.02 . 2 . . . . 85 ARG HB3 . 6590 1 899 . 1 1 85 85 ARG HG2 H 1 1.66 0.02 . 1 . . . . 85 ARG HG2 . 6590 1 900 . 1 1 85 85 ARG HG3 H 1 1.66 0.02 . 1 . . . . 85 ARG HG3 . 6590 1 901 . 1 1 85 85 ARG HD2 H 1 3.30 0.02 . 2 . . . . 85 ARG HD2 . 6590 1 902 . 1 1 85 85 ARG HD3 H 1 2.97 0.02 . 2 . . . . 85 ARG HD3 . 6590 1 903 . 1 1 85 85 ARG CA C 13 61.54 0.3 . 1 . . . . 85 ARG CA . 6590 1 904 . 1 1 85 85 ARG CB C 13 30.97 0.3 . 1 . . . . 85 ARG CB . 6590 1 905 . 1 1 85 85 ARG CG C 13 29.34 0.3 . 1 . . . . 85 ARG CG . 6590 1 906 . 1 1 85 85 ARG CD C 13 44.30 0.3 . 1 . . . . 85 ARG CD . 6590 1 907 . 1 1 85 85 ARG N N 15 126.89 0.1 . 1 . . . . 85 ARG N . 6590 1 908 . 1 1 86 86 TYR H H 1 8.89 0.02 . 1 . . . . 86 TYR H . 6590 1 909 . 1 1 86 86 TYR HA H 1 3.75 0.02 . 1 . . . . 86 TYR HA . 6590 1 910 . 1 1 86 86 TYR HB2 H 1 2.97 0.02 . 2 . . . . 86 TYR HB2 . 6590 1 911 . 1 1 86 86 TYR HB3 H 1 2.80 0.02 . 2 . . . . 86 TYR HB3 . 6590 1 912 . 1 1 86 86 TYR HD1 H 1 6.73 0.02 . 1 . . . . 86 TYR HD1 . 6590 1 913 . 1 1 86 86 TYR HD2 H 1 6.73 0.02 . 1 . . . . 86 TYR HD2 . 6590 1 914 . 1 1 86 86 TYR HE1 H 1 6.64 0.02 . 1 . . . . 86 TYR HE1 . 6590 1 915 . 1 1 86 86 TYR HE2 H 1 6.64 0.02 . 1 . . . . 86 TYR HE2 . 6590 1 916 . 1 1 86 86 TYR CA C 13 63.17 0.3 . 1 . . . . 86 TYR CA . 6590 1 917 . 1 1 86 86 TYR CB C 13 38.77 0.3 . 1 . . . . 86 TYR CB . 6590 1 918 . 1 1 86 86 TYR CD1 C 13 132.81 0.3 . 1 . . . . 86 TYR CD1 . 6590 1 919 . 1 1 86 86 TYR CD2 C 13 132.81 0.3 . 1 . . . . 86 TYR CD2 . 6590 1 920 . 1 1 86 86 TYR CE1 C 13 118.07 0.3 . 1 . . . . 86 TYR CE1 . 6590 1 921 . 1 1 86 86 TYR CE2 C 13 118.07 0.3 . 1 . . . . 86 TYR CE2 . 6590 1 922 . 1 1 86 86 TYR N N 15 124.67 0.1 . 1 . . . . 86 TYR N . 6590 1 923 . 1 1 87 87 ALA H H 1 7.99 0.02 . 1 . . . . 87 ALA H . 6590 1 924 . 1 1 87 87 ALA HA H 1 4.09 0.02 . 1 . . . . 87 ALA HA . 6590 1 925 . 1 1 87 87 ALA HB1 H 1 1.57 0.02 . 1 . . . . 87 ALA HB . 6590 1 926 . 1 1 87 87 ALA HB2 H 1 1.57 0.02 . 1 . . . . 87 ALA HB . 6590 1 927 . 1 1 87 87 ALA HB3 H 1 1.57 0.02 . 1 . . . . 87 ALA HB . 6590 1 928 . 1 1 87 87 ALA CA C 13 55.04 0.3 . 1 . . . . 87 ALA CA . 6590 1 929 . 1 1 87 87 ALA CB C 13 19.58 0.3 . 1 . . . . 87 ALA CB . 6590 1 930 . 1 1 87 87 ALA N N 15 124.67 0.1 . 1 . . . . 87 ALA N . 6590 1 931 . 1 1 88 88 ALA H H 1 8.68 0.02 . 1 . . . . 88 ALA H . 6590 1 932 . 1 1 88 88 ALA HA H 1 3.78 0.02 . 1 . . . . 88 ALA HA . 6590 1 933 . 1 1 88 88 ALA HB1 H 1 1.41 0.02 . 1 . . . . 88 ALA HB . 6590 1 934 . 1 1 88 88 ALA HB2 H 1 1.41 0.02 . 1 . . . . 88 ALA HB . 6590 1 935 . 1 1 88 88 ALA HB3 H 1 1.41 0.02 . 1 . . . . 88 ALA HB . 6590 1 936 . 1 1 88 88 ALA CA C 13 55.69 0.3 . 1 . . . . 88 ALA CA . 6590 1 937 . 1 1 88 88 ALA CB C 13 20.23 0.3 . 1 . . . . 88 ALA CB . 6590 1 938 . 1 1 88 88 ALA N N 15 123.93 0.1 . 1 . . . . 88 ALA N . 6590 1 939 . 1 1 89 89 TYR H H 1 8.35 0.02 . 1 . . . . 89 TYR H . 6590 1 940 . 1 1 89 89 TYR HA H 1 3.63 0.02 . 1 . . . . 89 TYR HA . 6590 1 941 . 1 1 89 89 TYR HB2 H 1 2.93 0.02 . 2 . . . . 89 TYR HB2 . 6590 1 942 . 1 1 89 89 TYR HB3 H 1 2.51 0.02 . 2 . . . . 89 TYR HB3 . 6590 1 943 . 1 1 89 89 TYR HD1 H 1 7.30 0.02 . 1 . . . . 89 TYR HD1 . 6590 1 944 . 1 1 89 89 TYR HD2 H 1 7.30 0.02 . 1 . . . . 89 TYR HD2 . 6590 1 945 . 1 1 89 89 TYR HE1 H 1 6.70 0.02 . 1 . . . . 89 TYR HE1 . 6590 1 946 . 1 1 89 89 TYR HE2 H 1 6.70 0.02 . 1 . . . . 89 TYR HE2 . 6590 1 947 . 1 1 89 89 TYR CA C 13 64.47 0.3 . 1 . . . . 89 TYR CA . 6590 1 948 . 1 1 89 89 TYR CB C 13 38.77 0.3 . 1 . . . . 89 TYR CB . 6590 1 949 . 1 1 89 89 TYR CD1 C 13 133.52 0.3 . 3 . . . . 89 TYR CD1 . 6590 1 950 . 1 1 89 89 TYR CD2 C 13 133.52 0.3 . 3 . . . . 89 TYR CD2 . 6590 1 951 . 1 1 89 89 TYR CE1 C 13 119.37 0.3 . 1 . . . . 89 TYR CE1 . 6590 1 952 . 1 1 89 89 TYR CE2 C 13 119.37 0.3 . 1 . . . . 89 TYR CE2 . 6590 1 953 . 1 1 89 89 TYR N N 15 118.26 0.1 . 1 . . . . 89 TYR N . 6590 1 954 . 1 1 90 90 GLN H H 1 8.27 0.02 . 1 . . . . 90 GLN H . 6590 1 955 . 1 1 90 90 GLN HA H 1 3.92 0.02 . 1 . . . . 90 GLN HA . 6590 1 956 . 1 1 90 90 GLN HB2 H 1 1.93 0.02 . 2 . . . . 90 GLN HB2 . 6590 1 957 . 1 1 90 90 GLN HB3 H 1 1.83 0.02 . 2 . . . . 90 GLN HB3 . 6590 1 958 . 1 1 90 90 GLN HG2 H 1 2.08 0.02 . 2 . . . . 90 GLN HG2 . 6590 1 959 . 1 1 90 90 GLN HG3 H 1 1.92 0.02 . 2 . . . . 90 GLN HG3 . 6590 1 960 . 1 1 90 90 GLN HE21 H 1 6.79 0.02 . 1 . . . . 90 GLN HE21 . 6590 1 961 . 1 1 90 90 GLN HE22 H 1 7.17 0.02 . 1 . . . . 90 GLN HE22 . 6590 1 962 . 1 1 90 90 GLN CA C 13 59.59 0.3 . 1 . . . . 90 GLN CA . 6590 1 963 . 1 1 90 90 GLN CB C 13 29.34 0.3 . 1 . . . . 90 GLN CB . 6590 1 964 . 1 1 90 90 GLN CG C 13 34.55 0.3 . 1 . . . . 90 GLN CG . 6590 1 965 . 1 1 90 90 GLN N N 15 118.50 0.1 . 1 . . . . 90 GLN N . 6590 1 966 . 1 1 90 90 GLN NE2 N 15 112.58 0.1 . 1 . . . . 90 GLN NE2 . 6590 1 967 . 1 1 91 91 GLN H H 1 8.49 0.02 . 1 . . . . 91 GLN H . 6590 1 968 . 1 1 91 91 GLN HA H 1 3.94 0.02 . 1 . . . . 91 GLN HA . 6590 1 969 . 1 1 91 91 GLN HB2 H 1 2.17 0.02 . 2 . . . . 91 GLN HB2 . 6590 1 970 . 1 1 91 91 GLN HB3 H 1 2.03 0.02 . 2 . . . . 91 GLN HB3 . 6590 1 971 . 1 1 91 91 GLN HG2 H 1 2.39 0.02 . 2 . . . . 91 GLN HG2 . 6590 1 972 . 1 1 91 91 GLN HG3 H 1 2.26 0.02 . 2 . . . . 91 GLN HG3 . 6590 1 973 . 1 1 91 91 GLN HE21 H 1 6.91 0.02 . 1 . . . . 91 GLN HE21 . 6590 1 974 . 1 1 91 91 GLN HE22 H 1 7.47 0.02 . 1 . . . . 91 GLN HE22 . 6590 1 975 . 1 1 91 91 GLN CA C 13 59.59 0.3 . 1 . . . . 91 GLN CA . 6590 1 976 . 1 1 91 91 GLN CB C 13 28.37 0.3 . 1 . . . . 91 GLN CB . 6590 1 977 . 1 1 91 91 GLN CG C 13 34.55 0.3 . 1 . . . . 91 GLN CG . 6590 1 978 . 1 1 91 91 GLN N N 15 124.18 0.1 . 1 . . . . 91 GLN N . 6590 1 979 . 1 1 91 91 GLN NE2 N 15 111.84 0.1 . 1 . . . . 91 GLN NE2 . 6590 1 980 . 1 1 92 92 LEU H H 1 7.56 0.02 . 1 . . . . 92 LEU H . 6590 1 981 . 1 1 92 92 LEU HA H 1 4.13 0.02 . 1 . . . . 92 LEU HA . 6590 1 982 . 1 1 92 92 LEU HB2 H 1 1.67 0.02 . 2 . . . . 92 LEU HB2 . 6590 1 983 . 1 1 92 92 LEU HB3 H 1 1.51 0.02 . 2 . . . . 92 LEU HB3 . 6590 1 984 . 1 1 92 92 LEU HG H 1 1.60 0.02 . 1 . . . . 92 LEU HG . 6590 1 985 . 1 1 92 92 LEU HD11 H 1 0.81 0.02 . 2 . . . . 92 LEU HD1 . 6590 1 986 . 1 1 92 92 LEU HD12 H 1 0.81 0.02 . 2 . . . . 92 LEU HD1 . 6590 1 987 . 1 1 92 92 LEU HD13 H 1 0.81 0.02 . 2 . . . . 92 LEU HD1 . 6590 1 988 . 1 1 92 92 LEU HD21 H 1 0.60 0.02 . 2 . . . . 92 LEU HD2 . 6590 1 989 . 1 1 92 92 LEU HD22 H 1 0.60 0.02 . 2 . . . . 92 LEU HD2 . 6590 1 990 . 1 1 92 92 LEU HD23 H 1 0.60 0.02 . 2 . . . . 92 LEU HD2 . 6590 1 991 . 1 1 92 92 LEU CA C 13 55.36 0.3 . 1 . . . . 92 LEU CA . 6590 1 992 . 1 1 92 92 LEU CB C 13 43.98 0.3 . 1 . . . . 92 LEU CB . 6590 1 993 . 1 1 92 92 LEU CG C 13 27.07 0.3 . 1 . . . . 92 LEU CG . 6590 1 994 . 1 1 92 92 LEU CD1 C 13 23.16 0.3 . 2 . . . . 92 LEU CD1 . 6590 1 995 . 1 1 92 92 LEU CD2 C 13 26.09 0.3 . 2 . . . . 92 LEU CD2 . 6590 1 996 . 1 1 92 92 LEU N N 15 118.50 0.1 . 1 . . . . 92 LEU N . 6590 1 997 . 1 1 93 93 GLN H H 1 8.04 0.02 . 1 . . . . 93 GLN H . 6590 1 998 . 1 1 93 93 GLN HA H 1 3.87 0.02 . 1 . . . . 93 GLN HA . 6590 1 999 . 1 1 93 93 GLN HB2 H 1 2.25 0.02 . 2 . . . . 93 GLN HB2 . 6590 1 1000 . 1 1 93 93 GLN HB3 H 1 2.20 0.02 . 2 . . . . 93 GLN HB3 . 6590 1 1001 . 1 1 93 93 GLN HG2 H 1 2.22 0.02 . 1 . . . . 93 GLN HG2 . 6590 1 1002 . 1 1 93 93 GLN HG3 H 1 2.22 0.02 . 1 . . . . 93 GLN HG3 . 6590 1 1003 . 1 1 93 93 GLN HE21 H 1 6.68 0.02 . 1 . . . . 93 GLN HE21 . 6590 1 1004 . 1 1 93 93 GLN HE22 H 1 7.49 0.02 . 1 . . . . 93 GLN HE22 . 6590 1 1005 . 1 1 93 93 GLN CA C 13 56.66 0.3 . 1 . . . . 93 GLN CA . 6590 1 1006 . 1 1 93 93 GLN CB C 13 26.09 0.3 . 1 . . . . 93 GLN CB . 6590 1 1007 . 1 1 93 93 GLN CG C 13 34.55 0.3 . 1 . . . . 93 GLN CG . 6590 1 1008 . 1 1 93 93 GLN N N 15 116.28 0.1 . 1 . . . . 93 GLN N . 6590 1 1009 . 1 1 93 93 GLN NE2 N 15 113.07 0.1 . 1 . . . . 93 GLN NE2 . 6590 1 1010 . 1 1 94 94 ARG H H 1 7.52 0.02 . 1 . . . . 94 ARG H . 6590 1 1011 . 1 1 94 94 ARG HA H 1 4.34 0.02 . 1 . . . . 94 ARG HA . 6590 1 1012 . 1 1 94 94 ARG HB2 H 1 2.20 0.02 . 2 . . . . 94 ARG HB2 . 6590 1 1013 . 1 1 94 94 ARG HB3 H 1 1.87 0.02 . 2 . . . . 94 ARG HB3 . 6590 1 1014 . 1 1 94 94 ARG HG2 H 1 1.70 0.02 . 2 . . . . 94 ARG HG2 . 6590 1 1015 . 1 1 94 94 ARG HG3 H 1 1.61 0.02 . 2 . . . . 94 ARG HG3 . 6590 1 1016 . 1 1 94 94 ARG HD2 H 1 3.22 0.02 . 1 . . . . 94 ARG HD2 . 6590 1 1017 . 1 1 94 94 ARG HD3 H 1 3.22 0.02 . 1 . . . . 94 ARG HD3 . 6590 1 1018 . 1 1 94 94 ARG CA C 13 54.39 0.3 . 1 . . . . 94 ARG CA . 6590 1 1019 . 1 1 94 94 ARG CB C 13 31.62 0.3 . 1 . . . . 94 ARG CB . 6590 1 1020 . 1 1 94 94 ARG CG C 13 27.72 0.3 . 1 . . . . 94 ARG CG . 6590 1 1021 . 1 1 94 94 ARG CD C 13 42.68 0.3 . 1 . . . . 94 ARG CD . 6590 1 1022 . 1 1 94 94 ARG N N 15 117.27 0.1 . 1 . . . . 94 ARG N . 6590 1 1023 . 1 1 95 95 GLU H H 1 8.74 0.02 . 1 . . . . 95 GLU H . 6590 1 1024 . 1 1 95 95 GLU HA H 1 4.18 0.02 . 1 . . . . 95 GLU HA . 6590 1 1025 . 1 1 95 95 GLU HB2 H 1 2.08 0.02 . 2 . . . . 95 GLU HB2 . 6590 1 1026 . 1 1 95 95 GLU HB3 H 1 2.03 0.02 . 2 . . . . 95 GLU HB3 . 6590 1 1027 . 1 1 95 95 GLU HG2 H 1 2.35 0.02 . 2 . . . . 95 GLU HG2 . 6590 1 1028 . 1 1 95 95 GLU HG3 H 1 2.24 0.02 . 2 . . . . 95 GLU HG3 . 6590 1 1029 . 1 1 95 95 GLU CA C 13 58.62 0.3 . 1 . . . . 95 GLU CA . 6590 1 1030 . 1 1 95 95 GLU CB C 13 31.62 0.3 . 1 . . . . 95 GLU CB . 6590 1 1031 . 1 1 95 95 GLU CG C 13 37.15 0.3 . 1 . . . . 95 GLU CG . 6590 1 1032 . 1 1 95 95 GLU N N 15 119.49 0.1 . 1 . . . . 95 GLU N . 6590 1 1033 . 1 1 96 96 THR H H 1 7.55 0.02 . 1 . . . . 96 THR H . 6590 1 1034 . 1 1 96 96 THR HA H 1 4.95 0.02 . 1 . . . . 96 THR HA . 6590 1 1035 . 1 1 96 96 THR HB H 1 3.43 0.02 . 1 . . . . 96 THR HB . 6590 1 1036 . 1 1 96 96 THR HG21 H 1 0.79 0.02 . 1 . . . . 96 THR HG1 . 6590 1 1037 . 1 1 96 96 THR HG22 H 1 0.79 0.02 . 1 . . . . 96 THR HG1 . 6590 1 1038 . 1 1 96 96 THR HG23 H 1 0.79 0.02 . 1 . . . . 96 THR HG1 . 6590 1 1039 . 1 1 96 96 THR CA C 13 59.27 0.3 . 1 . . . . 96 THR CA . 6590 1 1040 . 1 1 96 96 THR CB C 13 72.69 0.3 . 1 . . . . 96 THR CB . 6590 1 1041 . 1 1 96 96 THR CG2 C 13 20.89 0.3 . 1 . . . . 96 THR CG2 . 6590 1 1042 . 1 1 96 96 THR N N 15 108.88 0.1 . 1 . . . . 96 THR N . 6590 1 1043 . 1 1 97 97 ILE H H 1 8.52 0.02 . 1 . . . . 97 ILE H . 6590 1 1044 . 1 1 97 97 ILE HA H 1 4.36 0.02 . 1 . . . . 97 ILE HA . 6590 1 1045 . 1 1 97 97 ILE HB H 1 0.93 0.02 . 1 . . . . 97 ILE HB . 6590 1 1046 . 1 1 97 97 ILE HG12 H 1 0.73 0.02 . 2 . . . . 97 ILE HG12 . 6590 1 1047 . 1 1 97 97 ILE HG13 H 1 0.08 0.02 . 2 . . . . 97 ILE HG13 . 6590 1 1048 . 1 1 97 97 ILE HG21 H 1 0.57 0.02 . 1 . . . . 97 ILE HG2 . 6590 1 1049 . 1 1 97 97 ILE HG22 H 1 0.57 0.02 . 1 . . . . 97 ILE HG2 . 6590 1 1050 . 1 1 97 97 ILE HG23 H 1 0.57 0.02 . 1 . . . . 97 ILE HG2 . 6590 1 1051 . 1 1 97 97 ILE HD11 H 1 0.47 0.02 . 1 . . . . 97 ILE HD1 . 6590 1 1052 . 1 1 97 97 ILE HD12 H 1 0.47 0.02 . 1 . . . . 97 ILE HD1 . 6590 1 1053 . 1 1 97 97 ILE HD13 H 1 0.47 0.02 . 1 . . . . 97 ILE HD1 . 6590 1 1054 . 1 1 97 97 ILE CA C 13 56.34 0.02 . 1 . . . . 97 ILE CA . 6590 1 1055 . 1 1 97 97 ILE CB C 13 44.30 0.3 . 1 . . . . 97 ILE CB . 6590 1 1056 . 1 1 97 97 ILE CG1 C 13 27.72 0.3 . 1 . . . . 97 ILE CG1 . 6590 1 1057 . 1 1 97 97 ILE CG2 C 13 15.35 0.3 . 1 . . . . 97 ILE CG2 . 6590 1 1058 . 1 1 97 97 ILE CD1 C 13 15.68 0.3 . 1 . . . . 97 ILE CD1 . 6590 1 1059 . 1 1 97 97 ILE N N 15 119.74 0.1 . 1 . . . . 97 ILE N . 6590 1 1060 . 1 1 98 98 PRO HA H 1 4.48 0.02 . 1 . . . . 98 PRO HA . 6590 1 1061 . 1 1 98 98 PRO HB2 H 1 2.04 0.02 . 2 . . . . 98 PRO HB2 . 6590 1 1062 . 1 1 98 98 PRO HB3 H 1 1.66 0.02 . 2 . . . . 98 PRO HB3 . 6590 1 1063 . 1 1 98 98 PRO HG2 H 1 2.06 0.02 . 2 . . . . 98 PRO HG2 . 6590 1 1064 . 1 1 98 98 PRO HG3 H 1 1.71 0.02 . 2 . . . . 98 PRO HG3 . 6590 1 1065 . 1 1 98 98 PRO HD2 H 1 3.02 0.02 . 2 . . . . 98 PRO HD2 . 6590 1 1066 . 1 1 98 98 PRO HD3 H 1 3.47 0.02 . 2 . . . . 98 PRO HD3 . 6590 1 1067 . 1 1 98 98 PRO CA C 13 63.50 0.3 . 1 . . . . 98 PRO CA . 6590 1 1068 . 1 1 98 98 PRO CB C 13 32.27 0.3 . 1 . . . . 98 PRO CB . 6590 1 1069 . 1 1 98 98 PRO CG C 13 28.69 0.3 . 1 . . . . 98 PRO CG . 6590 1 1070 . 1 1 98 98 PRO CD C 13 53.74 0.3 . 1 . . . . 98 PRO CD . 6590 1 1071 . 1 1 99 99 ALA H H 1 8.98 0.02 . 1 . . . . 99 ALA H . 6590 1 1072 . 1 1 99 99 ALA HA H 1 5.16 0.02 . 1 . . . . 99 ALA HA . 6590 1 1073 . 1 1 99 99 ALA HB1 H 1 1.07 0.02 . 1 . . . . 99 ALA HB . 6590 1 1074 . 1 1 99 99 ALA HB2 H 1 1.07 0.02 . 1 . . . . 99 ALA HB . 6590 1 1075 . 1 1 99 99 ALA HB3 H 1 1.07 0.02 . 1 . . . . 99 ALA HB . 6590 1 1076 . 1 1 99 99 ALA CA C 13 51.14 0.3 . 1 . . . . 99 ALA CA . 6590 1 1077 . 1 1 99 99 ALA CB C 13 24.14 0.3 . 1 . . . . 99 ALA CB . 6590 1 1078 . 1 1 99 99 ALA N N 15 126.82 0.1 . 1 . . . . 99 ALA N . 6590 1 1079 . 1 1 100 100 LYS H H 1 9.16 0.02 . 1 . . . . 100 LYS H . 6590 1 1080 . 1 1 100 100 LYS HA H 1 4.63 0.02 . 1 . . . . 100 LYS HA . 6590 1 1081 . 1 1 100 100 LYS HB2 H 1 1.90 0.02 . 2 . . . . 100 LYS HB2 . 6590 1 1082 . 1 1 100 100 LYS HB3 H 1 1.58 0.02 . 2 . . . . 100 LYS HB3 . 6590 1 1083 . 1 1 100 100 LYS HG2 H 1 1.30 0.02 . 2 . . . . 100 LYS HG2 . 6590 1 1084 . 1 1 100 100 LYS HG3 H 1 1.23 0.02 . 2 . . . . 100 LYS HG3 . 6590 1 1085 . 1 1 100 100 LYS HD2 H 1 1.67 0.02 . 1 . . . . 100 LYS HD2 . 6590 1 1086 . 1 1 100 100 LYS HD3 H 1 1.67 0.02 . 1 . . . . 100 LYS HD3 . 6590 1 1087 . 1 1 100 100 LYS HE2 H 1 2.88 0.02 . 1 . . . . 100 LYS HE2 . 6590 1 1088 . 1 1 100 100 LYS HE3 H 1 2.88 0.02 . 1 . . . . 100 LYS HE3 . 6590 1 1089 . 1 1 100 100 LYS CA C 13 55.69 0.3 . 1 . . . . 100 LYS CA . 6590 1 1090 . 1 1 100 100 LYS CB C 13 33.57 0.3 . 1 . . . . 100 LYS CB . 6590 1 1091 . 1 1 100 100 LYS CG C 13 25.76 0.3 . 1 . . . . 100 LYS CG . 6590 1 1092 . 1 1 100 100 LYS CD C 13 29.67 0.3 . 1 . . . . 100 LYS CD . 6590 1 1093 . 1 1 100 100 LYS CE C 13 42.35 0.3 . 1 . . . . 100 LYS CE . 6590 1 1094 . 1 1 100 100 LYS N N 15 123.44 0.02 . 1 . . . . 100 LYS N . 6590 1 1095 . 1 1 101 101 LEU H H 1 8.81 0.02 . 1 . . . . 101 LEU H . 6590 1 1096 . 1 1 101 101 LEU HA H 1 4.89 0.02 . 1 . . . . 101 LEU HA . 6590 1 1097 . 1 1 101 101 LEU HB2 H 1 1.82 0.02 . 2 . . . . 101 LEU HB2 . 6590 1 1098 . 1 1 101 101 LEU HB3 H 1 1.40 0.02 . 2 . . . . 101 LEU HB3 . 6590 1 1099 . 1 1 101 101 LEU HG H 1 1.44 0.02 . 1 . . . . 101 LEU HG . 6590 1 1100 . 1 1 101 101 LEU HD11 H 1 0.41 0.02 . 2 . . . . 101 LEU HD1 . 6590 1 1101 . 1 1 101 101 LEU HD12 H 1 0.41 0.02 . 2 . . . . 101 LEU HD1 . 6590 1 1102 . 1 1 101 101 LEU HD13 H 1 0.41 0.02 . 2 . . . . 101 LEU HD1 . 6590 1 1103 . 1 1 101 101 LEU HD21 H 1 0.23 0.02 . 2 . . . . 101 LEU HD2 . 6590 1 1104 . 1 1 101 101 LEU HD22 H 1 0.23 0.02 . 2 . . . . 101 LEU HD2 . 6590 1 1105 . 1 1 101 101 LEU HD23 H 1 0.23 0.02 . 2 . . . . 101 LEU HD2 . 6590 1 1106 . 1 1 101 101 LEU CA C 13 54.71 0.3 . 1 . . . . 101 LEU CA . 6590 1 1107 . 1 1 101 101 LEU CB C 13 43.33 0.3 . 1 . . . . 101 LEU CB . 6590 1 1108 . 1 1 101 101 LEU CG C 13 27.72 0.3 . 1 . . . . 101 LEU CG . 6590 1 1109 . 1 1 101 101 LEU CD1 C 13 24.46 0.3 . 2 . . . . 101 LEU CD1 . 6590 1 1110 . 1 1 101 101 LEU CD2 C 13 25.44 0.3 . 2 . . . . 101 LEU CD2 . 6590 1 1111 . 1 1 101 101 LEU N N 15 127.14 0.1 . 1 . . . . 101 LEU N . 6590 1 1112 . 1 1 102 102 VAL H H 1 9.19 0.02 . 1 . . . . 102 VAL H . 6590 1 1113 . 1 1 102 102 VAL HA H 1 4.38 0.02 . 1 . . . . 102 VAL HA . 6590 1 1114 . 1 1 102 102 VAL HB H 1 2.16 0.02 . 1 . . . . 102 VAL HB . 6590 1 1115 . 1 1 102 102 VAL HG11 H 1 0.93 0.02 . 2 . . . . 102 VAL HG1 . 6590 1 1116 . 1 1 102 102 VAL HG12 H 1 0.93 0.02 . 2 . . . . 102 VAL HG1 . 6590 1 1117 . 1 1 102 102 VAL HG13 H 1 0.93 0.02 . 2 . . . . 102 VAL HG1 . 6590 1 1118 . 1 1 102 102 VAL HG21 H 1 0.90 0.02 . 2 . . . . 102 VAL HG2 . 6590 1 1119 . 1 1 102 102 VAL HG22 H 1 0.90 0.02 . 2 . . . . 102 VAL HG2 . 6590 1 1120 . 1 1 102 102 VAL HG23 H 1 0.90 0.02 . 2 . . . . 102 VAL HG2 . 6590 1 1121 . 1 1 102 102 VAL CA C 13 61.87 0.3 . 1 . . . . 102 VAL CA . 6590 1 1122 . 1 1 102 102 VAL CB C 13 33.90 0.3 . 1 . . . . 102 VAL CB . 6590 1 1123 . 1 1 102 102 VAL CG1 C 13 20.89 0.3 . 2 . . . . 102 VAL CG1 . 6590 1 1124 . 1 1 102 102 VAL CG2 C 13 21.21 0.3 . 2 . . . . 102 VAL CG2 . 6590 1 1125 . 1 1 102 102 VAL N N 15 126.15 0.1 . 1 . . . . 102 VAL N . 6590 1 1126 . 1 1 103 103 GLN H H 1 9.38 0.02 . 1 . . . . 103 GLN H . 6590 1 1127 . 1 1 103 103 GLN HA H 1 4.53 0.02 . 1 . . . . 103 GLN HA . 6590 1 1128 . 1 1 103 103 GLN HB2 H 1 2.02 0.02 . 1 . . . . 103 GLN HB2 . 6590 1 1129 . 1 1 103 103 GLN HB3 H 1 2.02 0.02 . 1 . . . . 103 GLN HB3 . 6590 1 1130 . 1 1 103 103 GLN HG2 H 1 2.25 0.02 . 2 . . . . 103 GLN HG2 . 6590 1 1131 . 1 1 103 103 GLN HG3 H 1 2.04 0.02 . 2 . . . . 103 GLN HG3 . 6590 1 1132 . 1 1 103 103 GLN HE21 H 1 6.56 0.02 . 1 . . . . 103 GLN HE21 . 6590 1 1133 . 1 1 103 103 GLN HE22 H 1 6.97 0.02 . 1 . . . . 103 GLN HE22 . 6590 1 1134 . 1 1 103 103 GLN CA C 13 58.94 0.3 . 1 . . . . 103 GLN CA . 6590 1 1135 . 1 1 103 103 GLN CB C 13 28.37 0.3 . 1 . . . . 103 GLN CB . 6590 1 1136 . 1 1 103 103 GLN CG C 13 34.55 0.3 . 1 . . . . 103 GLN CG . 6590 1 1137 . 1 1 103 103 GLN N N 15 126.15 0.1 . 1 . . . . 103 GLN N . 6590 1 1138 . 1 1 103 103 GLN NE2 N 15 112.09 0.1 . 1 . . . . 103 GLN NE2 . 6590 1 1139 . 1 1 104 104 SER H H 1 8.68 0.02 . 1 . . . . 104 SER H . 6590 1 1140 . 1 1 104 104 SER HA H 1 5.09 0.02 . 1 . . . . 104 SER HA . 6590 1 1141 . 1 1 104 104 SER HB2 H 1 4.00 0.02 . 2 . . . . 104 SER HB2 . 6590 1 1142 . 1 1 104 104 SER HB3 H 1 3.50 0.02 . 2 . . . . 104 SER HB3 . 6590 1 1143 . 1 1 104 104 SER CA C 13 58.29 0.3 . 1 . . . . 104 SER CA . 6590 1 1144 . 1 1 104 104 SER CB C 13 66.83 0.3 . 1 . . . . 104 SER CB . 6590 1 1145 . 1 1 104 104 SER N N 15 123.93 0.1 . 1 . . . . 104 SER N . 6590 1 1146 . 1 1 105 105 THR H H 1 9.26 0.02 . 1 . . . . 105 THR H . 6590 1 1147 . 1 1 105 105 THR HA H 1 4.86 0.02 . 1 . . . . 105 THR HA . 6590 1 1148 . 1 1 105 105 THR HB H 1 4.63 0.02 . 1 . . . . 105 THR HB . 6590 1 1149 . 1 1 105 105 THR HG21 H 1 1.21 0.02 . 1 . . . . 105 THR HG1 . 6590 1 1150 . 1 1 105 105 THR HG22 H 1 1.21 0.02 . 1 . . . . 105 THR HG1 . 6590 1 1151 . 1 1 105 105 THR HG23 H 1 1.21 0.02 . 1 . . . . 105 THR HG1 . 6590 1 1152 . 1 1 105 105 THR CA C 13 60.24 0.3 . 1 . . . . 105 THR CA . 6590 1 1153 . 1 1 105 105 THR CB C 13 73.01 0.3 . 1 . . . . 105 THR CB . 6590 1 1154 . 1 1 105 105 THR CG2 C 13 21.86 0.3 . 1 . . . . 105 THR CG2 . 6590 1 1155 . 1 1 105 105 THR N N 15 113.57 0.1 . 1 . . . . 105 THR N . 6590 1 1156 . 1 1 106 106 LEU H H 1 8.87 0.02 . 1 . . . . 106 LEU H . 6590 1 1157 . 1 1 106 106 LEU HA H 1 3.92 0.02 . 1 . . . . 106 LEU HA . 6590 1 1158 . 1 1 106 106 LEU HB2 H 1 1.71 0.02 . 2 . . . . 106 LEU HB2 . 6590 1 1159 . 1 1 106 106 LEU HB3 H 1 1.59 0.02 . 2 . . . . 106 LEU HB3 . 6590 1 1160 . 1 1 106 106 LEU HG H 1 1.71 0.02 . 1 . . . . 106 LEU HG . 6590 1 1161 . 1 1 106 106 LEU HD11 H 1 0.91 0.02 . 2 . . . . 106 LEU HD1 . 6590 1 1162 . 1 1 106 106 LEU HD12 H 1 0.91 0.02 . 2 . . . . 106 LEU HD1 . 6590 1 1163 . 1 1 106 106 LEU HD13 H 1 0.91 0.02 . 2 . . . . 106 LEU HD1 . 6590 1 1164 . 1 1 106 106 LEU HD21 H 1 0.90 0.02 . 2 . . . . 106 LEU HD2 . 6590 1 1165 . 1 1 106 106 LEU HD22 H 1 0.90 0.02 . 2 . . . . 106 LEU HD2 . 6590 1 1166 . 1 1 106 106 LEU HD23 H 1 0.90 0.02 . 2 . . . . 106 LEU HD2 . 6590 1 1167 . 1 1 106 106 LEU CA C 13 58.29 0.3 . 1 . . . . 106 LEU CA . 6590 1 1168 . 1 1 106 106 LEU CB C 13 42.03 0.3 . 1 . . . . 106 LEU CB . 6590 1 1169 . 1 1 106 106 LEU CG C 13 27.72 0.3 . 1 . . . . 106 LEU CG . 6590 1 1170 . 1 1 106 106 LEU CD1 C 13 25.44 0.3 . 2 . . . . 106 LEU CD1 . 6590 1 1171 . 1 1 106 106 LEU CD2 C 13 24.79 0.3 . 2 . . . . 106 LEU CD2 . 6590 1 1172 . 1 1 106 106 LEU N N 15 122.20 0.1 . 1 . . . . 106 LEU N . 6590 1 1173 . 1 1 107 107 SER H H 1 8.04 0.02 . 1 . . . . 107 SER H . 6590 1 1174 . 1 1 107 107 SER HA H 1 4.05 0.02 . 1 . . . . 107 SER HA . 6590 1 1175 . 1 1 107 107 SER HB2 H 1 4.05 0.02 . 2 . . . . 107 SER HB2 . 6590 1 1176 . 1 1 107 107 SER HB3 H 1 3.79 0.02 . 2 . . . . 107 SER HB3 . 6590 1 1177 . 1 1 107 107 SER CA C 13 62.19 0.3 . 1 . . . . 107 SER CA . 6590 1 1178 . 1 1 107 107 SER CB C 13 62.84 0.3 . 1 . . . . 107 SER CB . 6590 1 1179 . 1 1 107 107 SER N N 15 113.81 0.1 . 1 . . . . 107 SER N . 6590 1 1180 . 1 1 108 108 ASP H H 1 7.55 0.02 . 1 . . . . 108 ASP H . 6590 1 1181 . 1 1 108 108 ASP HA H 1 4.41 0.02 . 1 . . . . 108 ASP HA . 6590 1 1182 . 1 1 108 108 ASP HB2 H 1 3.09 0.02 . 2 . . . . 108 ASP HB2 . 6590 1 1183 . 1 1 108 108 ASP HB3 H 1 2.76 0.02 . 2 . . . . 108 ASP HB3 . 6590 1 1184 . 1 1 108 108 ASP CA C 13 57.64 0.3 . 1 . . . . 108 ASP CA . 6590 1 1185 . 1 1 108 108 ASP CB C 13 41.38 0.3 . 1 . . . . 108 ASP CB . 6590 1 1186 . 1 1 108 108 ASP N N 15 122.45 0.1 . 1 . . . . 108 ASP N . 6590 1 1187 . 1 1 109 109 LEU H H 1 7.59 0.02 . 1 . . . . 109 LEU H . 6590 1 1188 . 1 1 109 109 LEU HA H 1 4.04 0.02 . 1 . . . . 109 LEU HA . 6590 1 1189 . 1 1 109 109 LEU HB2 H 1 1.92 0.02 . 2 . . . . 109 LEU HB2 . 6590 1 1190 . 1 1 109 109 LEU HB3 H 1 1.37 0.02 . 2 . . . . 109 LEU HB3 . 6590 1 1191 . 1 1 109 109 LEU HG H 1 1.45 0.02 . 1 . . . . 109 LEU HG . 6590 1 1192 . 1 1 109 109 LEU HD11 H 1 0.43 0.02 . 2 . . . . 109 LEU HD1 . 6590 1 1193 . 1 1 109 109 LEU HD12 H 1 0.43 0.02 . 2 . . . . 109 LEU HD1 . 6590 1 1194 . 1 1 109 109 LEU HD13 H 1 0.43 0.02 . 2 . . . . 109 LEU HD1 . 6590 1 1195 . 1 1 109 109 LEU HD21 H 1 0.40 0.02 . 2 . . . . 109 LEU HD2 . 6590 1 1196 . 1 1 109 109 LEU HD22 H 1 0.40 0.02 . 2 . . . . 109 LEU HD2 . 6590 1 1197 . 1 1 109 109 LEU HD23 H 1 0.40 0.02 . 2 . . . . 109 LEU HD2 . 6590 1 1198 . 1 1 109 109 LEU CA C 13 57.32 0.3 . 1 . . . . 109 LEU CA . 6590 1 1199 . 1 1 109 109 LEU CB C 13 42.35 0.3 . 1 . . . . 109 LEU CB . 6590 1 1200 . 1 1 109 109 LEU CG C 13 26.41 0.3 . 1 . . . . 109 LEU CG . 6590 1 1201 . 1 1 109 109 LEU CD1 C 13 23.49 0.3 . 2 . . . . 109 LEU CD1 . 6590 1 1202 . 1 1 109 109 LEU CD2 C 13 25.11 0.3 . 2 . . . . 109 LEU CD2 . 6590 1 1203 . 1 1 109 109 LEU N N 15 120.23 0.1 . 1 . . . . 109 LEU N . 6590 1 1204 . 1 1 110 110 ARG H H 1 8.15 0.02 . 1 . . . . 110 ARG H . 6590 1 1205 . 1 1 110 110 ARG HA H 1 4.32 0.02 . 1 . . . . 110 ARG HA . 6590 1 1206 . 1 1 110 110 ARG HB2 H 1 1.83 0.02 . 1 . . . . 110 ARG HB2 . 6590 1 1207 . 1 1 110 110 ARG HB3 H 1 1.83 0.02 . 1 . . . . 110 ARG HB3 . 6590 1 1208 . 1 1 110 110 ARG HG2 H 1 1.72 0.02 . 2 . . . . 110 ARG HG2 . 6590 1 1209 . 1 1 110 110 ARG HG3 H 1 1.61 0.02 . 2 . . . . 110 ARG HG3 . 6590 1 1210 . 1 1 110 110 ARG HD2 H 1 3.18 0.02 . 2 . . . . 110 ARG HD2 . 6590 1 1211 . 1 1 110 110 ARG HD3 H 1 3.07 0.02 . 2 . . . . 110 ARG HD3 . 6590 1 1212 . 1 1 110 110 ARG CA C 13 58.62 0.3 . 1 . . . . 110 ARG CA . 6590 1 1213 . 1 1 110 110 ARG CB C 13 30.64 0.3 . 1 . . . . 110 ARG CB . 6590 1 1214 . 1 1 110 110 ARG CG C 13 28.04 0.3 . 1 . . . . 110 ARG CG . 6590 1 1215 . 1 1 110 110 ARG CD C 13 43.65 0.3 . 1 . . . . 110 ARG CD . 6590 1 1216 . 1 1 110 110 ARG N N 15 120.48 0.1 . 1 . . . . 110 ARG N . 6590 1 1217 . 1 1 111 111 VAL H H 1 7.15 0.02 . 1 . . . . 111 VAL H . 6590 1 1218 . 1 1 111 111 VAL HA H 1 3.42 0.02 . 1 . . . . 111 VAL HA . 6590 1 1219 . 1 1 111 111 VAL HB H 1 1.78 0.02 . 1 . . . . 111 VAL HB . 6590 1 1220 . 1 1 111 111 VAL HG11 H 1 0.94 0.02 . 2 . . . . 111 VAL HG1 . 6590 1 1221 . 1 1 111 111 VAL HG12 H 1 0.94 0.02 . 2 . . . . 111 VAL HG1 . 6590 1 1222 . 1 1 111 111 VAL HG13 H 1 0.94 0.02 . 2 . . . . 111 VAL HG1 . 6590 1 1223 . 1 1 111 111 VAL HG21 H 1 0.43 0.02 . 2 . . . . 111 VAL HG2 . 6590 1 1224 . 1 1 111 111 VAL HG22 H 1 0.43 0.02 . 2 . . . . 111 VAL HG2 . 6590 1 1225 . 1 1 111 111 VAL HG23 H 1 0.43 0.02 . 2 . . . . 111 VAL HG2 . 6590 1 1226 . 1 1 111 111 VAL CA C 13 66.30 0.3 . 1 . . . . 111 VAL CA . 6590 1 1227 . 1 1 111 111 VAL CB C 13 32.27 0.3 . 1 . . . . 111 VAL CB . 6590 1 1228 . 1 1 111 111 VAL CG1 C 13 22.51 0.3 . 2 . . . . 111 VAL CG1 . 6590 1 1229 . 1 1 111 111 VAL CG2 C 13 20.89 0.3 . 2 . . . . 111 VAL CG2 . 6590 1 1230 . 1 1 111 111 VAL N N 15 119.98 0.1 . 1 . . . . 111 VAL N . 6590 1 1231 . 1 1 112 112 TYR H H 1 6.91 0.02 . 1 . . . . 112 TYR H . 6590 1 1232 . 1 1 112 112 TYR HA H 1 4.05 0.02 . 1 . . . . 112 TYR HA . 6590 1 1233 . 1 1 112 112 TYR HB2 H 1 2.32 0.02 . 2 . . . . 112 TYR HB2 . 6590 1 1234 . 1 1 112 112 TYR HB3 H 1 2.18 0.02 . 2 . . . . 112 TYR HB3 . 6590 1 1235 . 1 1 112 112 TYR HD1 H 1 6.56 0.02 . 1 . . . . 112 TYR HD1 . 6590 1 1236 . 1 1 112 112 TYR HD2 H 1 6.56 0.02 . 1 . . . . 112 TYR HD2 . 6590 1 1237 . 1 1 112 112 TYR HE1 H 1 6.51 0.02 . 1 . . . . 112 TYR HE1 . 6590 1 1238 . 1 1 112 112 TYR HE2 H 1 6.51 0.02 . 1 . . . . 112 TYR HE2 . 6590 1 1239 . 1 1 112 112 TYR CA C 13 60.57 0.3 . 1 . . . . 112 TYR CA . 6590 1 1240 . 1 1 112 112 TYR CB C 13 40.73 0.3 . 1 . . . . 112 TYR CB . 6590 1 1241 . 1 1 112 112 TYR CD1 C 13 132.79 0.3 . 1 . . . . 112 TYR CD1 . 6590 1 1242 . 1 1 112 112 TYR CD2 C 13 132.79 0.3 . 1 . . . . 112 TYR CD2 . 6590 1 1243 . 1 1 112 112 TYR CE1 C 13 117.20 0.3 . 1 . . . . 112 TYR CE1 . 6590 1 1244 . 1 1 112 112 TYR CE2 C 13 117.2 0.3 . 1 . . . . 112 TYR CE2 . 6590 1 1245 . 1 1 112 112 TYR N N 15 115.79 0.1 . 1 . . . . 112 TYR N . 6590 1 1246 . 1 1 113 113 LEU H H 1 7.81 0.02 . 1 . . . . 113 LEU H . 6590 1 1247 . 1 1 113 113 LEU HA H 1 4.47 0.02 . 1 . . . . 113 LEU HA . 6590 1 1248 . 1 1 113 113 LEU HB2 H 1 1.93 0.02 . 2 . . . . 113 LEU HB2 . 6590 1 1249 . 1 1 113 113 LEU HB3 H 1 1.28 0.02 . 2 . . . . 113 LEU HB3 . 6590 1 1250 . 1 1 113 113 LEU HG H 1 1.66 0.02 . 1 . . . . 113 LEU HG . 6590 1 1251 . 1 1 113 113 LEU HD11 H 1 0.96 0.02 . 2 . . . . 113 LEU HD1 . 6590 1 1252 . 1 1 113 113 LEU HD12 H 1 0.96 0.02 . 2 . . . . 113 LEU HD1 . 6590 1 1253 . 1 1 113 113 LEU HD13 H 1 0.96 0.02 . 2 . . . . 113 LEU HD1 . 6590 1 1254 . 1 1 113 113 LEU HD21 H 1 0.94 0.02 . 2 . . . . 113 LEU HD2 . 6590 1 1255 . 1 1 113 113 LEU HD22 H 1 0.94 0.02 . 2 . . . . 113 LEU HD2 . 6590 1 1256 . 1 1 113 113 LEU HD23 H 1 0.94 0.02 . 2 . . . . 113 LEU HD2 . 6590 1 1257 . 1 1 113 113 LEU CA C 13 55.36 0.3 . 1 . . . . 113 LEU CA . 6590 1 1258 . 1 1 113 113 LEU CB C 13 43.65 0.3 . 1 . . . . 113 LEU CB . 6590 1 1259 . 1 1 113 113 LEU CG C 13 27.39 0.3 . 1 . . . . 113 LEU CG . 6590 1 1260 . 1 1 113 113 LEU CD1 C 13 22.84 0.3 . 2 . . . . 113 LEU CD1 . 6590 1 1261 . 1 1 113 113 LEU CD2 C 13 26.41 0.3 . 2 . . . . 113 LEU CD2 . 6590 1 1262 . 1 1 113 113 LEU N N 15 115.79 0.1 . 1 . . . . 113 LEU N . 6590 1 1263 . 1 1 114 114 GLY H H 1 8.67 0.02 . 1 . . . . 114 GLY H . 6590 1 1264 . 1 1 114 114 GLY HA2 H 1 3.91 0.02 . 2 . . . . 114 GLY HA2 . 6590 1 1265 . 1 1 114 114 GLY HA3 H 1 3.76 0.02 . 2 . . . . 114 GLY HA3 . 6590 1 1266 . 1 1 114 114 GLY CA C 13 46.91 0.3 . 1 . . . . 114 GLY CA . 6590 1 1267 . 1 1 114 114 GLY N N 15 111.35 0.01 . 1 . . . . 114 GLY N . 6590 1 1268 . 1 1 115 115 ALA H H 1 8.07 0.02 . 1 . . . . 115 ALA H . 6590 1 1269 . 1 1 115 115 ALA HA H 1 4.21 0.02 . 1 . . . . 115 ALA HA . 6590 1 1270 . 1 1 115 115 ALA HB1 H 1 1.47 0.02 . 1 . . . . 115 ALA HB . 6590 1 1271 . 1 1 115 115 ALA HB2 H 1 1.47 0.02 . 1 . . . . 115 ALA HB . 6590 1 1272 . 1 1 115 115 ALA HB3 H 1 1.47 0.02 . 1 . . . . 115 ALA HB . 6590 1 1273 . 1 1 115 115 ALA CA C 13 54.39 0.3 . 1 . . . . 115 ALA CA . 6590 1 1274 . 1 1 115 115 ALA CB C 13 18.61 0.3 . 1 . . . . 115 ALA CB . 6590 1 1275 . 1 1 115 115 ALA N N 15 122.7 0.1 . 1 . . . . 115 ALA N . 6590 1 1276 . 1 1 116 116 SER H H 1 8.04 0.02 . 1 . . . . 116 SER H . 6590 1 1277 . 1 1 116 116 SER HA H 1 4.55 0.02 . 1 . . . . 116 SER HA . 6590 1 1278 . 1 1 116 116 SER HB2 H 1 4.05 0.02 . 2 . . . . 116 SER HB2 . 6590 1 1279 . 1 1 116 116 SER HB3 H 1 3.96 0.02 . 2 . . . . 116 SER HB3 . 6590 1 1280 . 1 1 116 116 SER CA C 13 58.62 0.3 . 1 . . . . 116 SER CA . 6590 1 1281 . 1 1 116 116 SER CB C 13 63.50 0.3 . 1 . . . . 116 SER CB . 6590 1 1282 . 1 1 116 116 SER N N 15 113.81 0.1 . 1 . . . . 116 SER N . 6590 1 1283 . 1 1 117 117 THR H H 1 7.55 0.02 . 1 . . . . 117 THR H . 6590 1 1284 . 1 1 117 117 THR HA H 1 3.89 0.02 . 1 . . . . 117 THR HA . 6590 1 1285 . 1 1 117 117 THR HB H 1 3.92 0.02 . 1 . . . . 117 THR HB . 6590 1 1286 . 1 1 117 117 THR HG21 H 1 1.12 0.02 . 1 . . . . 117 THR HG2 . 6590 1 1287 . 1 1 117 117 THR HG22 H 1 1.12 0.02 . 1 . . . . 117 THR HG2 . 6590 1 1288 . 1 1 117 117 THR HG23 H 1 1.12 0.02 . 1 . . . . 117 THR HG2 . 6590 1 1289 . 1 1 117 117 THR CA C 13 62.84 0.3 . 1 . . . . 117 THR CA . 6590 1 1290 . 1 1 117 117 THR CB C 13 69.43 0.3 . 1 . . . . 117 THR CB . 6590 1 1291 . 1 1 117 117 THR CG2 C 13 21.54 0.3 . 1 . . . . 117 THR CG2 . 6590 1 1292 . 1 1 117 117 THR N N 15 122.45 0.1 . 1 . . . . 117 THR N . 6590 1 1293 . 1 1 118 118 PRO HA H 1 4.43 0.02 . 1 . . . . 118 PRO HA . 6590 1 1294 . 1 1 118 118 PRO HB2 H 1 2.19 0.02 . 2 . . . . 118 PRO HB2 . 6590 1 1295 . 1 1 118 118 PRO HB3 H 1 1.69 0.02 . 2 . . . . 118 PRO HB3 . 6590 1 1296 . 1 1 118 118 PRO HG2 H 1 2.00 0.02 . 2 . . . . 118 PRO HG2 . 6590 1 1297 . 1 1 118 118 PRO HG3 H 1 1.77 0.02 . 2 . . . . 118 PRO HG3 . 6590 1 1298 . 1 1 118 118 PRO HD2 H 1 3.40 0.02 . 2 . . . . 118 PRO HD2 . 6590 1 1299 . 1 1 118 118 PRO HD3 H 1 3.84 0.02 . 2 . . . . 118 PRO HD3 . 6590 1 1300 . 1 1 118 118 PRO CA C 13 62.52 0.3 . 1 . . . . 118 PRO CA . 6590 1 1301 . 1 1 118 118 PRO CB C 13 32.59 0.3 . 1 . . . . 118 PRO CB . 6590 1 1302 . 1 1 118 118 PRO CG C 13 27.07 0.3 . 1 . . . . 118 PRO CG . 6590 1 1303 . 1 1 118 118 PRO CD C 13 51.46 0.3 . 1 . . . . 118 PRO CD . 6590 1 1304 . 1 1 119 119 ASP H H 1 8.32 0.02 . 1 . . . . 119 ASP H . 6590 1 1305 . 1 1 119 119 ASP HA H 1 4.63 0.02 . 1 . . . . 119 ASP HA . 6590 1 1306 . 1 1 119 119 ASP HB2 H 1 2.65 0.02 . 2 . . . . 119 ASP HB2 . 6590 1 1307 . 1 1 119 119 ASP HB3 H 1 2.45 0.02 . 2 . . . . 119 ASP HB3 . 6590 1 1308 . 1 1 119 119 ASP CA C 13 53.09 0.3 . 1 . . . . 119 ASP CA . 6590 1 1309 . 1 1 119 119 ASP CB C 13 40.08 0.3 . 1 . . . . 119 ASP CB . 6590 1 1310 . 1 1 119 119 ASP N N 15 119.98 0.1 . 1 . . . . 119 ASP N . 6590 1 1311 . 1 1 120 120 LEU H H 1 6.95 0.02 . 1 . . . . 120 LEU H . 6590 1 1312 . 1 1 120 120 LEU HA H 1 4.06 0.02 . 1 . . . . 120 LEU HA . 6590 1 1313 . 1 1 120 120 LEU HB2 H 1 1.34 0.02 . 2 . . . . 120 LEU HB2 . 6590 1 1314 . 1 1 120 120 LEU HB3 H 1 0.81 0.02 . 2 . . . . 120 LEU HB3 . 6590 1 1315 . 1 1 120 120 LEU HG H 1 1.22 0.02 . 1 . . . . 120 LEU HG . 6590 1 1316 . 1 1 120 120 LEU HD11 H 1 0.41 0.02 . 2 . . . . 120 LEU HD1 . 6590 1 1317 . 1 1 120 120 LEU HD12 H 1 0.41 0.02 . 2 . . . . 120 LEU HD1 . 6590 1 1318 . 1 1 120 120 LEU HD13 H 1 0.41 0.02 . 2 . . . . 120 LEU HD1 . 6590 1 1319 . 1 1 120 120 LEU HD21 H 1 0.17 0.02 . 2 . . . . 120 LEU HD2 . 6590 1 1320 . 1 1 120 120 LEU HD22 H 1 0.17 0.02 . 2 . . . . 120 LEU HD2 . 6590 1 1321 . 1 1 120 120 LEU HD23 H 1 0.17 0.02 . 2 . . . . 120 LEU HD2 . 6590 1 1322 . 1 1 120 120 LEU CA C 13 55.36 0.3 . 1 . . . . 120 LEU CA . 6590 1 1323 . 1 1 120 120 LEU CB C 13 42.68 0.3 . 1 . . . . 120 LEU CB . 6590 1 1324 . 1 1 120 120 LEU CG C 13 26.09 0.3 . 1 . . . . 120 LEU CG . 6590 1 1325 . 1 1 120 120 LEU CD1 C 13 25.44 0.3 . 2 . . . . 120 LEU CD1 . 6590 1 1326 . 1 1 120 120 LEU CD2 C 13 21.54 0.3 . 2 . . . . 120 LEU CD2 . 6590 1 1327 . 1 1 120 120 LEU N N 15 123.19 0.1 . 1 . . . . 120 LEU N . 6590 1 1328 . 1 1 121 121 GLN H H 1 8.41 0.02 . 1 . . . . 121 GLN H . 6590 1 1329 . 1 1 121 121 GLN HA H 1 4.26 0.02 . 1 . . . . 121 GLN HA . 6590 1 1330 . 1 1 121 121 GLN HB2 H 1 2.12 0.02 . 2 . . . . 121 GLN HB2 . 6590 1 1331 . 1 1 121 121 GLN HB3 H 1 1.98 0.02 . 2 . . . . 121 GLN HB3 . 6590 1 1332 . 1 1 121 121 GLN HG2 H 1 2.34 0.02 . 2 . . . . 121 GLN HG2 . 6590 1 1333 . 1 1 121 121 GLN HG3 H 1 2.35 0.02 . 2 . . . . 121 GLN HG3 . 6590 1 1334 . 1 1 121 121 GLN HE21 H 1 6.65 0.02 . 1 . . . . 121 GLN HE21 . 6590 1 1335 . 1 1 121 121 GLN HE22 H 1 7.13 0.02 . 1 . . . . 121 GLN HE22 . 6590 1 1336 . 1 1 121 121 GLN CA C 13 58.29 0.3 . 1 . . . . 121 GLN CA . 6590 1 1337 . 1 1 121 121 GLN CB C 13 30.97 0.3 . 1 . . . . 121 GLN CB . 6590 1 1338 . 1 1 121 121 GLN CG C 13 33.57 0.3 . 1 . . . . 121 GLN CG . 6590 1 1339 . 1 1 121 121 GLN N N 15 127.38 0.1 . 1 . . . . 121 GLN N . 6590 1 stop_ loop_ _Ambiguous_atom_chem_shift.Ambiguous_shift_set_ID _Ambiguous_atom_chem_shift.Atom_chem_shift_ID _Ambiguous_atom_chem_shift.Entry_ID _Ambiguous_atom_chem_shift.Assigned_chem_shift_list_ID 1 34 6590 1 1 45 6590 1 2 35 6590 1 2 46 6590 1 3 38 6590 1 3 49 6590 1 4 58 6590 1 4 59 6590 1 4 63 6590 1 4 64 6590 1 4 89 6590 1 4 90 6590 1 4 94 6590 1 4 95 6590 1 4 141 6590 1 4 142 6590 1 stop_ save_