data_4138 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4138 _Entry.Title ; Proton Resonance Assignments of RC-RNase ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 1998-05-06 _Entry.Accession_date 1998-05-06 _Entry.Last_release_date . _Entry.Original_release_date . _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 ; RC-RNase is a pyrimidine-guanine sequence-specific ribonuclease from the oocytes of Rana catesbeiana. 1H chemical shifts were obtained at 310K and pH3.5 in the presence of 50mM phosphate buffer. Most of the spin systems have been identified. ; _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 Chinpan Chen . . . 4138 2 Kellie Hom . . . 4138 3 Rong-Fong Huang . . . 4138 4 Ping-Jung Chou . . . 4138 5 You-Di Laio . . . 4138 6 Tai-huang Huang . . . 4138 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 2 4138 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 768 4138 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 3 . . 2008-07-11 1998-05-06 update BMRB 'Updating non-standard residue' 4138 2 . . 2008-03-24 . update BMRB . 4138 1 . . 1998-06-15 1998-05-06 original author . 4138 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4138 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 97111348 _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation ; Chen, C., Hom, K., Huang, R.-F., Chou, P.-J., Laio, Y.-D., Huang, T.-H., "The Secondary Structure of a Pyrimidine-Guanine Sequence-Specific Ribonuclease Possessing Cytotoxic Activity from the Oocytes of Rana catesbeiana," J. Biomol NMR, 331-344 (1996). ; _Citation.Title ; The Secondary Structure of a Pyrimidine-Guanine Sequence-Specific Ribonuclease Possessing Cytotoxic Activity from the Oocytes of Rana catesbeiana ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol NMR' _Citation.Journal_name_full 'Journal of Biomolecular NMR' _Citation.Journal_volume 8 _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 331 _Citation.Page_last 344 _Citation.Year 1996 _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 Chinpan Chen . . . 4138 1 2 Kellie Hom . . . 4138 1 3 Rong-Fong Huang . . . 4138 1 4 Ping-Jung Chou . . . 4138 1 5 You-Di Laio . . . 4138 1 6 Tai-huang Huang . . . 4138 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID Cytotoxicity 4138 1 RC-RNase 4138 1 'Sialic acid' 4138 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_RC-RNase _Assembly.Sf_category assembly _Assembly.Sf_framecode system_RC-RNase _Assembly.Entry_ID 4138 _Assembly.ID 1 _Assembly.Name 'Rana catesbeiana RNase' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 12440 _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 4138 1 stop_ 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 RC-RNase 1 $RC-RNase . . . native . . . . . 4138 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID . PDB 1BC4 . 'The Solution Structure Of A Cytotoxic Ribonuclease From The Oocytes Of Rana Catesbeiana (Bullfrog), Nmr, 15 Structures' . . . . 4138 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'Rana catesbeiana RNase' system 4138 1 RC-RNase abbreviation 4138 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID RNase 4138 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_RC-RNase _Entity.Sf_category entity _Entity.Sf_framecode RC-RNase _Entity.Entry_ID 4138 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name RC-RNase _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 ; XNWATFQQKHIINTPIINCN TIMDNNIYIVGGQCKRVNTF IISSATTVKAICTGVINMNV LSTTRFQLNTCTRTSITPRP CPYSSRTETNYICVKCENQY PVHFAGIGRCP ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 111 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 12440 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details ; RC-RNase is a pyrimidine-guanine sequence-specific ribonuclease from the oocytes of Rana catesbeiana. Its sequence is identical to a sialic-acid binding lectin(SBL-C) from Rana catesbeiana oocyte ; _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-24 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 1BC4 . "The Solution Structure Of A Cytotoxic Ribonuclease From The Oocytes Of Rana Catesbeiana (Bullfrog), Nmr, 15 Structures" . . . . . 99.10 111 100.00 100.00 2.58e-72 . . . . 4138 1 2 no PDB 1KM8 . "The Structure Of A Cytotoxic Ribonuclease From The Oocyte Of Rana Catesbeiana (Bullfrog)" . . . . . 99.10 111 100.00 100.00 2.58e-72 . . . . 4138 1 3 no PDB 1KM9 . "The Structure Of A Cytotoxic Ribonuclease From The Oocyte Of Rana Catesbeiana (Bullfrog)" . . . . . 99.10 111 100.00 100.00 2.58e-72 . . . . 4138 1 4 no PDB 1M07 . "Residues Involved In The Catalysis And Base Specificity Of Cytotoxic Ribonuclease From Bullfrog (rana Catesbeiana)" . . . . . 99.10 111 100.00 100.00 2.58e-72 . . . . 4138 1 5 no GB AAD10702 . "ribonuclease precursor [Rana catesbeiana]" . . . . . 99.10 133 100.00 100.00 4.13e-73 . . . . 4138 1 6 no SP P11916 . "RecName: Full=Oocytes ribonuclease; AltName: Full=RC-RNase; AltName: Full=Sialic acid-binding lectin; Short=SBL-C; Flags: Precu" . . . . . 99.10 133 100.00 100.00 4.13e-73 . . . . 4138 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID RC-RNase abbreviation 4138 1 RC-RNase common 4138 1 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID SCL-C . 4138 1 'sialic-acid binding lectin' . 4138 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 . PCA . 4138 1 2 . ASN . 4138 1 3 . TRP . 4138 1 4 . ALA . 4138 1 5 . THR . 4138 1 6 . PHE . 4138 1 7 . GLN . 4138 1 8 . GLN . 4138 1 9 . LYS . 4138 1 10 . HIS . 4138 1 11 . ILE . 4138 1 12 . ILE . 4138 1 13 . ASN . 4138 1 14 . THR . 4138 1 15 . PRO . 4138 1 16 . ILE . 4138 1 17 . ILE . 4138 1 18 . ASN . 4138 1 19 . CYS . 4138 1 20 . ASN . 4138 1 21 . THR . 4138 1 22 . ILE . 4138 1 23 . MET . 4138 1 24 . ASP . 4138 1 25 . ASN . 4138 1 26 . ASN . 4138 1 27 . ILE . 4138 1 28 . TYR . 4138 1 29 . ILE . 4138 1 30 . VAL . 4138 1 31 . GLY . 4138 1 32 . GLY . 4138 1 33 . GLN . 4138 1 34 . CYS . 4138 1 35 . LYS . 4138 1 36 . ARG . 4138 1 37 . VAL . 4138 1 38 . ASN . 4138 1 39 . THR . 4138 1 40 . PHE . 4138 1 41 . ILE . 4138 1 42 . ILE . 4138 1 43 . SER . 4138 1 44 . SER . 4138 1 45 . ALA . 4138 1 46 . THR . 4138 1 47 . THR . 4138 1 48 . VAL . 4138 1 49 . LYS . 4138 1 50 . ALA . 4138 1 51 . ILE . 4138 1 52 . CYS . 4138 1 53 . THR . 4138 1 54 . GLY . 4138 1 55 . VAL . 4138 1 56 . ILE . 4138 1 57 . ASN . 4138 1 58 . MET . 4138 1 59 . ASN . 4138 1 60 . VAL . 4138 1 61 . LEU . 4138 1 62 . SER . 4138 1 63 . THR . 4138 1 64 . THR . 4138 1 65 . ARG . 4138 1 66 . PHE . 4138 1 67 . GLN . 4138 1 68 . LEU . 4138 1 69 . ASN . 4138 1 70 . THR . 4138 1 71 . CYS . 4138 1 72 . THR . 4138 1 73 . ARG . 4138 1 74 . THR . 4138 1 75 . SER . 4138 1 76 . ILE . 4138 1 77 . THR . 4138 1 78 . PRO . 4138 1 79 . ARG . 4138 1 80 . PRO . 4138 1 81 . CYS . 4138 1 82 . PRO . 4138 1 83 . TYR . 4138 1 84 . SER . 4138 1 85 . SER . 4138 1 86 . ARG . 4138 1 87 . THR . 4138 1 88 . GLU . 4138 1 89 . THR . 4138 1 90 . ASN . 4138 1 91 . TYR . 4138 1 92 . ILE . 4138 1 93 . CYS . 4138 1 94 . VAL . 4138 1 95 . LYS . 4138 1 96 . CYS . 4138 1 97 . GLU . 4138 1 98 . ASN . 4138 1 99 . GLN . 4138 1 100 . TYR . 4138 1 101 . PRO . 4138 1 102 . VAL . 4138 1 103 . HIS . 4138 1 104 . PHE . 4138 1 105 . ALA . 4138 1 106 . GLY . 4138 1 107 . ILE . 4138 1 108 . GLY . 4138 1 109 . ARG . 4138 1 110 . CYS . 4138 1 111 . PRO . 4138 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 . PCA 1 1 4138 1 . ASN 2 2 4138 1 . TRP 3 3 4138 1 . ALA 4 4 4138 1 . THR 5 5 4138 1 . PHE 6 6 4138 1 . GLN 7 7 4138 1 . GLN 8 8 4138 1 . LYS 9 9 4138 1 . HIS 10 10 4138 1 . ILE 11 11 4138 1 . ILE 12 12 4138 1 . ASN 13 13 4138 1 . THR 14 14 4138 1 . PRO 15 15 4138 1 . ILE 16 16 4138 1 . ILE 17 17 4138 1 . ASN 18 18 4138 1 . CYS 19 19 4138 1 . ASN 20 20 4138 1 . THR 21 21 4138 1 . ILE 22 22 4138 1 . MET 23 23 4138 1 . ASP 24 24 4138 1 . ASN 25 25 4138 1 . ASN 26 26 4138 1 . ILE 27 27 4138 1 . TYR 28 28 4138 1 . ILE 29 29 4138 1 . VAL 30 30 4138 1 . GLY 31 31 4138 1 . GLY 32 32 4138 1 . GLN 33 33 4138 1 . CYS 34 34 4138 1 . LYS 35 35 4138 1 . ARG 36 36 4138 1 . VAL 37 37 4138 1 . ASN 38 38 4138 1 . THR 39 39 4138 1 . PHE 40 40 4138 1 . ILE 41 41 4138 1 . ILE 42 42 4138 1 . SER 43 43 4138 1 . SER 44 44 4138 1 . ALA 45 45 4138 1 . THR 46 46 4138 1 . THR 47 47 4138 1 . VAL 48 48 4138 1 . LYS 49 49 4138 1 . ALA 50 50 4138 1 . ILE 51 51 4138 1 . CYS 52 52 4138 1 . THR 53 53 4138 1 . GLY 54 54 4138 1 . VAL 55 55 4138 1 . ILE 56 56 4138 1 . ASN 57 57 4138 1 . MET 58 58 4138 1 . ASN 59 59 4138 1 . VAL 60 60 4138 1 . LEU 61 61 4138 1 . SER 62 62 4138 1 . THR 63 63 4138 1 . THR 64 64 4138 1 . ARG 65 65 4138 1 . PHE 66 66 4138 1 . GLN 67 67 4138 1 . LEU 68 68 4138 1 . ASN 69 69 4138 1 . THR 70 70 4138 1 . CYS 71 71 4138 1 . THR 72 72 4138 1 . ARG 73 73 4138 1 . THR 74 74 4138 1 . SER 75 75 4138 1 . ILE 76 76 4138 1 . THR 77 77 4138 1 . PRO 78 78 4138 1 . ARG 79 79 4138 1 . PRO 80 80 4138 1 . CYS 81 81 4138 1 . PRO 82 82 4138 1 . TYR 83 83 4138 1 . SER 84 84 4138 1 . SER 85 85 4138 1 . ARG 86 86 4138 1 . THR 87 87 4138 1 . GLU 88 88 4138 1 . THR 89 89 4138 1 . ASN 90 90 4138 1 . TYR 91 91 4138 1 . ILE 92 92 4138 1 . CYS 93 93 4138 1 . VAL 94 94 4138 1 . LYS 95 95 4138 1 . CYS 96 96 4138 1 . GLU 97 97 4138 1 . ASN 98 98 4138 1 . GLN 99 99 4138 1 . TYR 100 100 4138 1 . PRO 101 101 4138 1 . VAL 102 102 4138 1 . HIS 103 103 4138 1 . PHE 104 104 4138 1 . ALA 105 105 4138 1 . GLY 106 106 4138 1 . ILE 107 107 4138 1 . GLY 108 108 4138 1 . ARG 109 109 4138 1 . CYS 110 110 4138 1 . PRO 111 111 4138 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 4138 _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 $RC-RNase . 8400 organism . 'Rana Catesbeiana' bull-frog . . Eukaryota Metazoa Rana Catesbeiana . . . . . . . oocytes . . . . . . . . . . . . . 4138 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 4138 _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 $RC-RNase . 'purified from the natural source' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4138 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_PCA _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_PCA _Chem_comp.Entry_ID 4138 _Chem_comp.ID PCA _Chem_comp.Provenance PDB _Chem_comp.Name 'PYROGLUTAMIC ACID' _Chem_comp.Type 'L-PEPTIDE LINKING' _Chem_comp.BMRB_code PCA _Chem_comp.PDB_code PCA _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 1999-07-08 _Chem_comp.Modified_date 2011-12-14 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces PCC _Chem_comp.One_letter_code E _Chem_comp.Three_letter_code PCA _Chem_comp.Number_atoms_all 16 _Chem_comp.Number_atoms_nh 9 _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/C5H7NO3/c7-4-2-1-3(6-4)5(8)9/h3H,1-2H2,(H,6,7)(H,8,9)/t3-/m0/s1 _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID GLU _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula 'C5 H7 N O3' _Chem_comp.Formula_weight 129.114 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID C1CC(=O)NC1C(=O)O SMILES 'OpenEye OEToolkits' 1.5.0 4138 PCA C1CC(=O)N[C@@H]1C(=O)O SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 4138 PCA InChI=1S/C5H7NO3/c7-4-2-1-3(6-4)5(8)9/h3H,1-2H2,(H,6,7)(H,8,9)/t3-/m0/s1 InChI InChI 1.03 4138 PCA O=C(O)C1NC(=O)CC1 SMILES ACDLabs 10.04 4138 PCA OC(=O)[C@@H]1CCC(=O)N1 SMILES_CANONICAL CACTVS 3.341 4138 PCA OC(=O)[CH]1CCC(=O)N1 SMILES CACTVS 3.341 4138 PCA ODHCTXKNWHHXJC-VKHMYHEASA-N InChIKey InChI 1.03 4138 PCA stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID '(2S)-5-oxopyrrolidine-2-carboxylic acid' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 4138 PCA 5-oxo-L-proline 'SYSTEMATIC NAME' ACDLabs 10.04 4138 PCA stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID N N N N . N . . N 0 . . . 1 no no . . . . 38.821 . 57.719 . 67.990 . 0.713 0.531 -0.633 1 . 4138 PCA CA CA CA CA . C . . S 0 . . . 1 no no . . . . 38.455 . 58.883 . 67.183 . -0.328 0.539 0.400 2 . 4138 PCA CB CB CB CB . C . . N 0 . . . 1 no no . . . . 37.375 . 59.639 . 67.947 . -1.455 -0.368 -0.140 3 . 4138 PCA CG CG CG CG . C . . N 0 . . . 1 no no . . . . 37.746 . 59.312 . 69.375 . -1.232 -0.272 -1.667 4 . 4138 PCA CD CD CD CD . C . . N 0 . . . 1 no no . . . . 38.398 . 57.930 . 69.250 . 0.231 0.082 -1.807 5 . 4138 PCA OE OE OE OE . O . . N 0 . . . 1 no no . . . . 38.575 . 57.133 . 70.197 . 0.876 -0.019 -2.829 6 . 4138 PCA C C C C . C . . N 0 . . . 1 no no . . . . 39.640 . 59.813 . 66.967 . 0.214 -0.015 1.691 7 . 4138 PCA O O O O . O . . N 0 . . . 1 no no . . . . 40.560 . 59.863 . 67.790 . 1.122 -0.812 1.672 8 . 4138 PCA OXT OXT OXT OXT . O . . N 0 . . . 1 no yes . . . . 39.626 . 60.540 . 65.853 . -0.311 0.374 2.863 9 . 4138 PCA H H H HN . H . . N 0 . . . 1 no no . . . . 39.309 . 56.868 . 67.709 . 1.631 0.810 -0.489 10 . 4138 PCA HA HA HA HA . H . . N 0 . . . 1 no no . . . . 38.103 . 58.540 . 66.181 . -0.700 1.552 0.552 11 . 4138 PCA HB2 HB2 HB2 1HB . H . . N 0 . . . 1 no no . . . . 37.293 . 60.725 . 67.710 . -1.331 -1.393 0.208 12 . 4138 PCA HB3 HB3 HB3 2HB . H . . N 0 . . . 1 no no . . . . 36.325 . 59.396 . 67.657 . -2.435 0.019 0.136 13 . 4138 PCA HG2 HG2 HG2 1HG . H . . N 0 . . . 1 no no . . . . 38.375 . 60.080 . 69.881 . -1.439 -1.230 -2.144 14 . 4138 PCA HG3 HG3 HG3 2HG . H . . N 0 . . . 1 no no . . . . 36.900 . 59.365 . 70.100 . -1.857 0.511 -2.095 15 . 4138 PCA HXT HXT HXT HXT . H . . N 0 . . . 1 no yes . . . . 40.365 . 61.120 . 65.718 . 0.036 0.018 3.692 16 . 4138 PCA stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . SING N CA no N 1 . 4138 PCA 2 . SING N CD no N 2 . 4138 PCA 3 . SING N H no N 3 . 4138 PCA 4 . SING CA CB no N 4 . 4138 PCA 5 . SING CA C no N 5 . 4138 PCA 6 . SING CA HA no N 6 . 4138 PCA 7 . SING CB CG no N 7 . 4138 PCA 8 . SING CB HB2 no N 8 . 4138 PCA 9 . SING CB HB3 no N 9 . 4138 PCA 10 . SING CG CD no N 10 . 4138 PCA 11 . SING CG HG2 no N 11 . 4138 PCA 12 . SING CG HG3 no N 12 . 4138 PCA 13 . DOUB CD OE no N 13 . 4138 PCA 14 . DOUB C O no N 14 . 4138 PCA 15 . SING C OXT no N 15 . 4138 PCA 16 . SING OXT HXT no N 16 . 4138 PCA stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_one _Sample.Sf_category sample _Sample.Sf_framecode sample_one _Sample.Entry_ID 4138 _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 RC-RNase . . . 1 $RC-RNase . . . 2 3 mM . . . . 4138 1 2 H2O . . . . . . . 90 . . % . . . . 4138 1 3 D2O . . . . . . . 10 . . % . . . . 4138 1 4 'phosphate buffer' . . . . . . . 50 . . mM . . . . 4138 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_one _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_one _Sample_condition_list.Entry_ID 4138 _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 3.5 . n/a 4138 1 temperature 310 . K 4138 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_list _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_list _NMR_spectrometer.Entry_ID 4138 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'spectrometer information not available' _NMR_spectrometer.Manufacturer unknown _NMR_spectrometer.Model unknown _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 0 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 4138 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 unknown unknown . 0 'spectrometer information not available' . . 4138 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 4138 _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 . . . . . . . . . . . . 1 $sample_one . . . 1 $sample_conditions_one . . . 1 $spectrometer_list . . . . . . . . . . . . . . . . 4138 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_one _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_one _Chem_shift_reference.Entry_ID 4138 _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 H 1 DSS methyl . . . . ppm 0.0 external direct . . . . . . . . . . 4138 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_one _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_one _Assigned_chem_shift_list.Entry_ID 4138 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_one _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_one _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details ; A single set of peak assignments. The ambiguous code "9" indicates the second shift was observed, and the second shift will be listed separately. ; _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 $sample_one . 4138 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 PCA HA H 1 3.89 . . 1 . . . . . . . . 4138 1 2 . 1 1 2 2 ASN H H 1 8.04 . . 1 . . . . . . . . 4138 1 3 . 1 1 2 2 ASN HA H 1 4.65 . . 1 . . . . . . . . 4138 1 4 . 1 1 2 2 ASN HB2 H 1 3.31 . . 2 . . . . . . . . 4138 1 5 . 1 1 2 2 ASN HB3 H 1 3.21 . . 2 . . . . . . . . 4138 1 6 . 1 1 2 2 ASN HD21 H 1 7.82 . . 2 . . . . . . . . 4138 1 7 . 1 1 2 2 ASN HD22 H 1 7.12 . . 2 . . . . . . . . 4138 1 8 . 1 1 3 3 TRP H H 1 9.36 . . 1 . . . . . . . . 4138 1 9 . 1 1 3 3 TRP HA H 1 5.54 . . 1 . . . . . . . . 4138 1 10 . 1 1 3 3 TRP HB2 H 1 3.17 . . 2 . . . . . . . . 4138 1 11 . 1 1 3 3 TRP HB3 H 1 3.04 . . 2 . . . . . . . . 4138 1 12 . 1 1 3 3 TRP HD1 H 1 7.14 . . 1 . . . . . . . . 4138 1 13 . 1 1 3 3 TRP HE1 H 1 10.41 . . 1 . . . . . . . . 4138 1 14 . 1 1 3 3 TRP HE3 H 1 8.42 . . 1 . . . . . . . . 4138 1 15 . 1 1 3 3 TRP HZ2 H 1 7.46 . . 1 . . . . . . . . 4138 1 16 . 1 1 3 3 TRP HZ3 H 1 6.87 . . 1 . . . . . . . . 4138 1 17 . 1 1 3 3 TRP HH2 H 1 7.37 . . 1 . . . . . . . . 4138 1 18 . 1 1 4 4 ALA H H 1 8.72 . . 1 . . . . . . . . 4138 1 19 . 1 1 4 4 ALA HA H 1 3.80 . . 1 . . . . . . . . 4138 1 20 . 1 1 4 4 ALA HB1 H 1 1.40 . . 1 . . . . . . . . 4138 1 21 . 1 1 4 4 ALA HB2 H 1 1.40 . . 1 . . . . . . . . 4138 1 22 . 1 1 4 4 ALA HB3 H 1 1.40 . . 1 . . . . . . . . 4138 1 23 . 1 1 5 5 THR H H 1 8.55 . . 1 . . . . . . . . 4138 1 24 . 1 1 5 5 THR HA H 1 4.00 . . 1 . . . . . . . . 4138 1 25 . 1 1 5 5 THR HB H 1 3.90 . . 1 . . . . . . . . 4138 1 26 . 1 1 5 5 THR HG21 H 1 1.31 . . 1 . . . . . . . . 4138 1 27 . 1 1 5 5 THR HG22 H 1 1.31 . . 1 . . . . . . . . 4138 1 28 . 1 1 5 5 THR HG23 H 1 1.31 . . 1 . . . . . . . . 4138 1 29 . 1 1 6 6 PHE H H 1 8.83 . . 1 . . . . . . . . 4138 1 30 . 1 1 6 6 PHE HA H 1 4.34 . . 1 . . . . . . . . 4138 1 31 . 1 1 6 6 PHE HB2 H 1 3.62 . . 2 . . . . . . . . 4138 1 32 . 1 1 6 6 PHE HB3 H 1 3.20 . . 2 . . . . . . . . 4138 1 33 . 1 1 6 6 PHE HD1 H 1 7.20 . . 1 . . . . . . . . 4138 1 34 . 1 1 6 6 PHE HD2 H 1 7.20 . . 1 . . . . . . . . 4138 1 35 . 1 1 6 6 PHE HE1 H 1 7.01 . . 1 . . . . . . . . 4138 1 36 . 1 1 6 6 PHE HE2 H 1 7.01 . . 1 . . . . . . . . 4138 1 37 . 1 1 6 6 PHE HZ H 1 6.83 . . 1 . . . . . . . . 4138 1 38 . 1 1 7 7 GLN H H 1 8.39 . . 1 . . . . . . . . 4138 1 39 . 1 1 7 7 GLN HA H 1 3.55 . . 1 . . . . . . . . 4138 1 40 . 1 1 7 7 GLN HB2 H 1 1.30 . . 2 . . . . . . . . 4138 1 41 . 1 1 7 7 GLN HB3 H 1 1.67 . . 2 . . . . . . . . 4138 1 42 . 1 1 7 7 GLN HG2 H 1 1.85 . . 1 . . . . . . . . 4138 1 43 . 1 1 7 7 GLN HG3 H 1 1.85 . . 1 . . . . . . . . 4138 1 44 . 1 1 8 8 GLN H H 1 7.41 . . 1 . . . . . . . . 4138 1 45 . 1 1 8 8 GLN HA H 1 3.91 . . 1 . . . . . . . . 4138 1 46 . 1 1 8 8 GLN HB2 H 1 2.20 . . 2 . . . . . . . . 4138 1 47 . 1 1 8 8 GLN HB3 H 1 2.03 . . 2 . . . . . . . . 4138 1 48 . 1 1 8 8 GLN HG2 H 1 2.43 . . 1 . . . . . . . . 4138 1 49 . 1 1 8 8 GLN HG3 H 1 2.43 . . 1 . . . . . . . . 4138 1 50 . 1 1 8 8 GLN HE21 H 1 7.28 . . 2 . . . . . . . . 4138 1 51 . 1 1 8 8 GLN HE22 H 1 6.64 . . 2 . . . . . . . . 4138 1 52 . 1 1 9 9 LYS H H 1 8.22 . . 1 . . . . . . . . 4138 1 53 . 1 1 9 9 LYS HA H 1 3.96 . . 1 . . . . . . . . 4138 1 54 . 1 1 9 9 LYS HB2 H 1 1.44 . . 2 . . . . . . . . 4138 1 55 . 1 1 9 9 LYS HB3 H 1 1.00 . . 2 . . . . . . . . 4138 1 56 . 1 1 9 9 LYS HG2 H 1 0.85 . . 1 . . . . . . . . 4138 1 57 . 1 1 9 9 LYS HG3 H 1 0.85 . . 1 . . . . . . . . 4138 1 58 . 1 1 9 9 LYS HD2 H 1 1.37 . . 1 . . . . . . . . 4138 1 59 . 1 1 9 9 LYS HD3 H 1 1.37 . . 1 . . . . . . . . 4138 1 60 . 1 1 9 9 LYS HE2 H 1 2.02 . . 1 . . . . . . . . 4138 1 61 . 1 1 9 9 LYS HE3 H 1 2.02 . . 1 . . . . . . . . 4138 1 62 . 1 1 10 10 HIS H H 1 7.90 . . 1 . . . . . . . . 4138 1 63 . 1 1 10 10 HIS HA H 1 4.65 . . 1 . . . . . . . . 4138 1 64 . 1 1 10 10 HIS HB2 H 1 2.75 . . 2 . . . . . . . . 4138 1 65 . 1 1 10 10 HIS HB3 H 1 2.19 . . 2 . . . . . . . . 4138 1 66 . 1 1 10 10 HIS HD2 H 1 6.59 . . 1 . . . . . . . . 4138 1 67 . 1 1 10 10 HIS HE1 H 1 8.52 . . 1 . . . . . . . . 4138 1 68 . 1 1 11 11 ILE H H 1 8.50 . . 1 . . . . . . . . 4138 1 69 . 1 1 11 11 ILE HA H 1 5.02 . . 1 . . . . . . . . 4138 1 70 . 1 1 11 11 ILE HB H 1 2.03 . . 1 . . . . . . . . 4138 1 71 . 1 1 11 11 ILE HG12 H 1 1.72 . . 2 . . . . . . . . 4138 1 72 . 1 1 11 11 ILE HG13 H 1 1.13 . . 2 . . . . . . . . 4138 1 73 . 1 1 11 11 ILE HG21 H 1 0.95 . . 1 . . . . . . . . 4138 1 74 . 1 1 11 11 ILE HG22 H 1 0.95 . . 1 . . . . . . . . 4138 1 75 . 1 1 11 11 ILE HG23 H 1 0.95 . . 1 . . . . . . . . 4138 1 76 . 1 1 11 11 ILE HD11 H 1 0.95 . . 1 . . . . . . . . 4138 1 77 . 1 1 11 11 ILE HD12 H 1 0.95 . . 1 . . . . . . . . 4138 1 78 . 1 1 11 11 ILE HD13 H 1 0.95 . . 1 . . . . . . . . 4138 1 79 . 1 1 12 12 ILE H H 1 8.72 . . 1 . . . . . . . . 4138 1 80 . 1 1 12 12 ILE HA H 1 4.81 . . 1 . . . . . . . . 4138 1 81 . 1 1 12 12 ILE HB H 1 1.83 . . 1 . . . . . . . . 4138 1 82 . 1 1 12 12 ILE HG12 H 1 1.35 . . 1 . . . . . . . . 4138 1 83 . 1 1 12 12 ILE HG13 H 1 1.35 . . 1 . . . . . . . . 4138 1 84 . 1 1 12 12 ILE HG21 H 1 0.86 . . 1 . . . . . . . . 4138 1 85 . 1 1 12 12 ILE HG22 H 1 0.86 . . 1 . . . . . . . . 4138 1 86 . 1 1 12 12 ILE HG23 H 1 0.86 . . 1 . . . . . . . . 4138 1 87 . 1 1 12 12 ILE HD11 H 1 0.86 . . 1 . . . . . . . . 4138 1 88 . 1 1 12 12 ILE HD12 H 1 0.86 . . 1 . . . . . . . . 4138 1 89 . 1 1 12 12 ILE HD13 H 1 0.86 . . 1 . . . . . . . . 4138 1 90 . 1 1 13 13 ASN H H 1 8.19 . . 1 . . . . . . . . 4138 1 91 . 1 1 13 13 ASN HA H 1 4.90 . . 1 . . . . . . . . 4138 1 92 . 1 1 13 13 ASN HB2 H 1 2.88 . . 1 . . . . . . . . 4138 1 93 . 1 1 13 13 ASN HB3 H 1 2.88 . . 1 . . . . . . . . 4138 1 94 . 1 1 13 13 ASN HD21 H 1 7.32 . . 2 . . . . . . . . 4138 1 95 . 1 1 13 13 ASN HD22 H 1 6.76 . . 2 . . . . . . . . 4138 1 96 . 1 1 14 14 THR H H 1 7.14 . . 1 . . . . . . . . 4138 1 97 . 1 1 14 14 THR HA H 1 4.84 . . 1 . . . . . . . . 4138 1 98 . 1 1 14 14 THR HB H 1 4.17 . . 1 . . . . . . . . 4138 1 99 . 1 1 14 14 THR HG21 H 1 1.11 . . 1 . . . . . . . . 4138 1 100 . 1 1 14 14 THR HG22 H 1 1.11 . . 1 . . . . . . . . 4138 1 101 . 1 1 14 14 THR HG23 H 1 1.11 . . 1 . . . . . . . . 4138 1 102 . 1 1 15 15 PRO HA H 1 4.35 . . 1 . . . . . . . . 4138 1 103 . 1 1 15 15 PRO HB2 H 1 1.73 . . 1 . . . . . . . . 4138 1 104 . 1 1 15 15 PRO HB3 H 1 1.73 . . 1 . . . . . . . . 4138 1 105 . 1 1 15 15 PRO HG2 H 1 2.37 . . 2 . . . . . . . . 4138 1 106 . 1 1 15 15 PRO HG3 H 1 2.05 . . 2 . . . . . . . . 4138 1 107 . 1 1 15 15 PRO HD2 H 1 3.72 . . 2 . . . . . . . . 4138 1 108 . 1 1 15 15 PRO HD3 H 1 3.58 . . 2 . . . . . . . . 4138 1 109 . 1 1 16 16 ILE H H 1 7.70 . . 1 . . . . . . . . 4138 1 110 . 1 1 16 16 ILE HA H 1 4.01 . . 1 . . . . . . . . 4138 1 111 . 1 1 16 16 ILE HB H 1 1.76 . . 1 . . . . . . . . 4138 1 112 . 1 1 16 16 ILE HG12 H 1 1.32 . . 2 . . . . . . . . 4138 1 113 . 1 1 16 16 ILE HG13 H 1 1.03 . . 2 . . . . . . . . 4138 1 114 . 1 1 16 16 ILE HG21 H 1 0.71 . . 1 . . . . . . . . 4138 1 115 . 1 1 16 16 ILE HG22 H 1 0.71 . . 1 . . . . . . . . 4138 1 116 . 1 1 16 16 ILE HG23 H 1 0.71 . . 1 . . . . . . . . 4138 1 117 . 1 1 16 16 ILE HD11 H 1 0.62 . . 1 . . . . . . . . 4138 1 118 . 1 1 16 16 ILE HD12 H 1 0.62 . . 1 . . . . . . . . 4138 1 119 . 1 1 16 16 ILE HD13 H 1 0.62 . . 1 . . . . . . . . 4138 1 120 . 1 1 17 17 ILE H H 1 7.72 . . 9 . . . . . . . . 4138 1 121 . 1 1 17 17 ILE HA H 1 4.13 . . 1 . . . . . . . . 4138 1 122 . 1 1 17 17 ILE HB H 1 1.42 . . 1 . . . . . . . . 4138 1 123 . 1 1 17 17 ILE HG21 H 1 0.71 . . 1 . . . . . . . . 4138 1 124 . 1 1 17 17 ILE HG22 H 1 0.71 . . 1 . . . . . . . . 4138 1 125 . 1 1 17 17 ILE HG23 H 1 0.71 . . 1 . . . . . . . . 4138 1 126 . 1 1 17 17 ILE HD11 H 1 0.49 . . 1 . . . . . . . . 4138 1 127 . 1 1 17 17 ILE HD12 H 1 0.49 . . 1 . . . . . . . . 4138 1 128 . 1 1 17 17 ILE HD13 H 1 0.49 . . 1 . . . . . . . . 4138 1 129 . 1 1 18 18 ASN H H 1 8.26 . . 1 . . . . . . . . 4138 1 130 . 1 1 18 18 ASN HA H 1 4.88 . . 1 . . . . . . . . 4138 1 131 . 1 1 18 18 ASN HB2 H 1 3.07 . . 2 . . . . . . . . 4138 1 132 . 1 1 18 18 ASN HB3 H 1 2.62 . . 2 . . . . . . . . 4138 1 133 . 1 1 18 18 ASN HD21 H 1 7.54 . . 2 . . . . . . . . 4138 1 134 . 1 1 18 18 ASN HD22 H 1 7.04 . . 2 . . . . . . . . 4138 1 135 . 1 1 19 19 CYS H H 1 9.51 . . 1 . . . . . . . . 4138 1 136 . 1 1 19 19 CYS HA H 1 4.06 . . 1 . . . . . . . . 4138 1 137 . 1 1 19 19 CYS HB2 H 1 2.81 . . 2 . . . . . . . . 4138 1 138 . 1 1 19 19 CYS HB3 H 1 2.43 . . 2 . . . . . . . . 4138 1 139 . 1 1 20 20 ASN H H 1 8.19 . . 1 . . . . . . . . 4138 1 140 . 1 1 20 20 ASN HA H 1 4.48 . . 1 . . . . . . . . 4138 1 141 . 1 1 20 20 ASN HB2 H 1 2.98 . . 1 . . . . . . . . 4138 1 142 . 1 1 20 20 ASN HB3 H 1 2.98 . . 1 . . . . . . . . 4138 1 143 . 1 1 20 20 ASN HD21 H 1 7.40 . . 2 . . . . . . . . 4138 1 144 . 1 1 20 20 ASN HD22 H 1 6.90 . . 2 . . . . . . . . 4138 1 145 . 1 1 21 21 THR H H 1 7.39 . . 1 . . . . . . . . 4138 1 146 . 1 1 21 21 THR HA H 1 4.30 . . 1 . . . . . . . . 4138 1 147 . 1 1 21 21 THR HB H 1 4.18 . . 1 . . . . . . . . 4138 1 148 . 1 1 21 21 THR HG21 H 1 1.23 . . 1 . . . . . . . . 4138 1 149 . 1 1 21 21 THR HG22 H 1 1.23 . . 1 . . . . . . . . 4138 1 150 . 1 1 21 21 THR HG23 H 1 1.23 . . 1 . . . . . . . . 4138 1 151 . 1 1 22 22 ILE H H 1 7.96 . . 9 . . . . . . . . 4138 1 152 . 1 1 22 22 ILE HA H 1 3.99 . . 1 . . . . . . . . 4138 1 153 . 1 1 22 22 ILE HB H 1 1.53 . . 1 . . . . . . . . 4138 1 154 . 1 1 23 23 MET H H 1 7.19 . . 1 . . . . . . . . 4138 1 155 . 1 1 23 23 MET HA H 1 4.56 . . 1 . . . . . . . . 4138 1 156 . 1 1 23 23 MET HB2 H 1 1.39 . . 2 . . . . . . . . 4138 1 157 . 1 1 23 23 MET HB3 H 1 0.51 . . 2 . . . . . . . . 4138 1 158 . 1 1 23 23 MET HG2 H 1 2.17 . . 2 . . . . . . . . 4138 1 159 . 1 1 23 23 MET HG3 H 1 1.70 . . 2 . . . . . . . . 4138 1 160 . 1 1 24 24 ASP H H 1 7.16 . . 1 . . . . . . . . 4138 1 161 . 1 1 24 24 ASP HA H 1 4.94 . . 1 . . . . . . . . 4138 1 162 . 1 1 24 24 ASP HB2 H 1 3.12 . . 2 . . . . . . . . 4138 1 163 . 1 1 24 24 ASP HB3 H 1 2.63 . . 2 . . . . . . . . 4138 1 164 . 1 1 25 25 ASN H H 1 8.03 . . 1 . . . . . . . . 4138 1 165 . 1 1 25 25 ASN HA H 1 4.69 . . 1 . . . . . . . . 4138 1 166 . 1 1 25 25 ASN HB2 H 1 2.85 . . 2 . . . . . . . . 4138 1 167 . 1 1 25 25 ASN HB3 H 1 2.66 . . 2 . . . . . . . . 4138 1 168 . 1 1 25 25 ASN HD21 H 1 8.15 . . 2 . . . . . . . . 4138 1 169 . 1 1 25 25 ASN HD22 H 1 6.85 . . 2 . . . . . . . . 4138 1 170 . 1 1 26 26 ASN H H 1 8.94 . . 1 . . . . . . . . 4138 1 171 . 1 1 26 26 ASN HA H 1 4.36 . . 1 . . . . . . . . 4138 1 172 . 1 1 26 26 ASN HB2 H 1 2.87 . . 2 . . . . . . . . 4138 1 173 . 1 1 26 26 ASN HB3 H 1 2.82 . . 2 . . . . . . . . 4138 1 174 . 1 1 26 26 ASN HD21 H 1 7.45 . . 2 . . . . . . . . 4138 1 175 . 1 1 26 26 ASN HD22 H 1 6.81 . . 2 . . . . . . . . 4138 1 176 . 1 1 27 27 ILE H H 1 8.15 . . 1 . . . . . . . . 4138 1 177 . 1 1 27 27 ILE HA H 1 4.04 . . 1 . . . . . . . . 4138 1 178 . 1 1 27 27 ILE HB H 1 1.53 . . 1 . . . . . . . . 4138 1 179 . 1 1 27 27 ILE HG21 H 1 0.55 . . 1 . . . . . . . . 4138 1 180 . 1 1 27 27 ILE HG22 H 1 0.55 . . 1 . . . . . . . . 4138 1 181 . 1 1 27 27 ILE HG23 H 1 0.55 . . 1 . . . . . . . . 4138 1 182 . 1 1 27 27 ILE HD11 H 1 0.28 . . 1 . . . . . . . . 4138 1 183 . 1 1 27 27 ILE HD12 H 1 0.28 . . 1 . . . . . . . . 4138 1 184 . 1 1 27 27 ILE HD13 H 1 0.28 . . 1 . . . . . . . . 4138 1 185 . 1 1 28 28 TYR H H 1 7.80 . . 1 . . . . . . . . 4138 1 186 . 1 1 28 28 TYR HA H 1 4.76 . . 1 . . . . . . . . 4138 1 187 . 1 1 28 28 TYR HB2 H 1 3.51 . . 2 . . . . . . . . 4138 1 188 . 1 1 28 28 TYR HB3 H 1 3.13 . . 2 . . . . . . . . 4138 1 189 . 1 1 28 28 TYR HD1 H 1 6.96 . . 1 . . . . . . . . 4138 1 190 . 1 1 28 28 TYR HD2 H 1 6.96 . . 1 . . . . . . . . 4138 1 191 . 1 1 28 28 TYR HE1 H 1 6.54 . . 1 . . . . . . . . 4138 1 192 . 1 1 28 28 TYR HE2 H 1 6.54 . . 1 . . . . . . . . 4138 1 193 . 1 1 29 29 ILE H H 1 7.35 . . 1 . . . . . . . . 4138 1 194 . 1 1 29 29 ILE HA H 1 4.51 . . 1 . . . . . . . . 4138 1 195 . 1 1 29 29 ILE HB H 1 2.14 . . 1 . . . . . . . . 4138 1 196 . 1 1 30 30 VAL H H 1 8.53 . . 1 . . . . . . . . 4138 1 197 . 1 1 30 30 VAL HA H 1 4.40 . . 1 . . . . . . . . 4138 1 198 . 1 1 30 30 VAL HB H 1 2.04 . . 1 . . . . . . . . 4138 1 199 . 1 1 30 30 VAL HG11 H 1 1.01 . . 1 . . . . . . . . 4138 1 200 . 1 1 30 30 VAL HG12 H 1 1.01 . . 1 . . . . . . . . 4138 1 201 . 1 1 30 30 VAL HG13 H 1 1.01 . . 1 . . . . . . . . 4138 1 202 . 1 1 30 30 VAL HG21 H 1 1.01 . . 1 . . . . . . . . 4138 1 203 . 1 1 30 30 VAL HG22 H 1 1.01 . . 1 . . . . . . . . 4138 1 204 . 1 1 30 30 VAL HG23 H 1 1.01 . . 1 . . . . . . . . 4138 1 205 . 1 1 31 31 GLY H H 1 9.36 . . 1 . . . . . . . . 4138 1 206 . 1 1 31 31 GLY HA2 H 1 3.93 . . 1 . . . . . . . . 4138 1 207 . 1 1 31 31 GLY HA3 H 1 3.93 . . 1 . . . . . . . . 4138 1 208 . 1 1 32 32 GLY H H 1 8.34 . . 1 . . . . . . . . 4138 1 209 . 1 1 32 32 GLY HA2 H 1 4.20 . . 2 . . . . . . . . 4138 1 210 . 1 1 32 32 GLY HA3 H 1 3.56 . . 2 . . . . . . . . 4138 1 211 . 1 1 33 33 GLN H H 1 7.64 . . 1 . . . . . . . . 4138 1 212 . 1 1 33 33 GLN HA H 1 4.85 . . 1 . . . . . . . . 4138 1 213 . 1 1 33 33 GLN HB2 H 1 2.09 . . 2 . . . . . . . . 4138 1 214 . 1 1 33 33 GLN HB3 H 1 1.97 . . 2 . . . . . . . . 4138 1 215 . 1 1 33 33 GLN HG2 H 1 2.35 . . 1 . . . . . . . . 4138 1 216 . 1 1 33 33 GLN HG3 H 1 2.35 . . 1 . . . . . . . . 4138 1 217 . 1 1 33 33 GLN HE21 H 1 7.50 . . 2 . . . . . . . . 4138 1 218 . 1 1 33 33 GLN HE22 H 1 6.80 . . 2 . . . . . . . . 4138 1 219 . 1 1 34 34 CYS H H 1 8.43 . . 1 . . . . . . . . 4138 1 220 . 1 1 34 34 CYS HA H 1 3.83 . . 1 . . . . . . . . 4138 1 221 . 1 1 34 34 CYS HB2 H 1 2.40 . . 2 . . . . . . . . 4138 1 222 . 1 1 34 34 CYS HB3 H 1 1.08 . . 2 . . . . . . . . 4138 1 223 . 1 1 35 35 LYS H H 1 8.38 . . 1 . . . . . . . . 4138 1 224 . 1 1 35 35 LYS HA H 1 4.25 . . 1 . . . . . . . . 4138 1 225 . 1 1 35 35 LYS HB2 H 1 1.66 . . 1 . . . . . . . . 4138 1 226 . 1 1 35 35 LYS HB3 H 1 1.66 . . 1 . . . . . . . . 4138 1 227 . 1 1 35 35 LYS HG2 H 1 1.00 . . 1 . . . . . . . . 4138 1 228 . 1 1 35 35 LYS HG3 H 1 1.00 . . 1 . . . . . . . . 4138 1 229 . 1 1 35 35 LYS HD2 H 1 1.14 . . 1 . . . . . . . . 4138 1 230 . 1 1 35 35 LYS HD3 H 1 1.14 . . 1 . . . . . . . . 4138 1 231 . 1 1 36 36 ARG H H 1 9.02 . . 1 . . . . . . . . 4138 1 232 . 1 1 36 36 ARG HA H 1 3.87 . . 1 . . . . . . . . 4138 1 233 . 1 1 36 36 ARG HB2 H 1 2.08 . . 2 . . . . . . . . 4138 1 234 . 1 1 36 36 ARG HB3 H 1 1.90 . . 2 . . . . . . . . 4138 1 235 . 1 1 36 36 ARG HG2 H 1 1.79 . . 2 . . . . . . . . 4138 1 236 . 1 1 36 36 ARG HG3 H 1 1.65 . . 2 . . . . . . . . 4138 1 237 . 1 1 36 36 ARG HD2 H 1 3.38 . . 2 . . . . . . . . 4138 1 238 . 1 1 36 36 ARG HD3 H 1 3.23 . . 2 . . . . . . . . 4138 1 239 . 1 1 36 36 ARG HE H 1 7.37 . . 1 . . . . . . . . 4138 1 240 . 1 1 37 37 VAL H H 1 7.71 . . 9 . . . . . . . . 4138 1 241 . 1 1 37 37 VAL HA H 1 5.41 . . 9 . . . . . . . . 4138 1 242 . 1 1 37 37 VAL HB H 1 2.01 . . 1 . . . . . . . . 4138 1 243 . 1 1 37 37 VAL HG11 H 1 0.96 . . 2 . . . . . . . . 4138 1 244 . 1 1 37 37 VAL HG12 H 1 0.96 . . 2 . . . . . . . . 4138 1 245 . 1 1 37 37 VAL HG13 H 1 0.96 . . 2 . . . . . . . . 4138 1 246 . 1 1 37 37 VAL HG21 H 1 0.91 . . 2 . . . . . . . . 4138 1 247 . 1 1 37 37 VAL HG22 H 1 0.91 . . 2 . . . . . . . . 4138 1 248 . 1 1 37 37 VAL HG23 H 1 0.91 . . 2 . . . . . . . . 4138 1 249 . 1 1 38 38 ASN H H 1 8.41 . . 1 . . . . . . . . 4138 1 250 . 1 1 38 38 ASN HA H 1 4.84 . . 1 . . . . . . . . 4138 1 251 . 1 1 38 38 ASN HB2 H 1 2.21 . . 2 . . . . . . . . 4138 1 252 . 1 1 38 38 ASN HB3 H 1 1.92 . . 2 . . . . . . . . 4138 1 253 . 1 1 38 38 ASN HD21 H 1 7.87 . . 2 . . . . . . . . 4138 1 254 . 1 1 38 38 ASN HD22 H 1 7.31 . . 2 . . . . . . . . 4138 1 255 . 1 1 39 39 THR H H 1 8.80 . . 1 . . . . . . . . 4138 1 256 . 1 1 39 39 THR HA H 1 4.46 . . 1 . . . . . . . . 4138 1 257 . 1 1 39 39 THR HB H 1 4.41 . . 1 . . . . . . . . 4138 1 258 . 1 1 39 39 THR HG21 H 1 0.81 . . 1 . . . . . . . . 4138 1 259 . 1 1 39 39 THR HG22 H 1 0.81 . . 1 . . . . . . . . 4138 1 260 . 1 1 39 39 THR HG23 H 1 0.81 . . 1 . . . . . . . . 4138 1 261 . 1 1 40 40 PHE H H 1 9.38 . . 1 . . . . . . . . 4138 1 262 . 1 1 40 40 PHE HA H 1 4.77 . . 1 . . . . . . . . 4138 1 263 . 1 1 40 40 PHE HB2 H 1 3.07 . . 2 . . . . . . . . 4138 1 264 . 1 1 40 40 PHE HB3 H 1 2.71 . . 2 . . . . . . . . 4138 1 265 . 1 1 40 40 PHE HD1 H 1 7.08 . . 1 . . . . . . . . 4138 1 266 . 1 1 40 40 PHE HD2 H 1 7.08 . . 1 . . . . . . . . 4138 1 267 . 1 1 40 40 PHE HE1 H 1 6.93 . . 1 . . . . . . . . 4138 1 268 . 1 1 40 40 PHE HE2 H 1 6.93 . . 1 . . . . . . . . 4138 1 269 . 1 1 40 40 PHE HZ H 1 7.03 . . 1 . . . . . . . . 4138 1 270 . 1 1 41 41 ILE H H 1 9.36 . . 1 . . . . . . . . 4138 1 271 . 1 1 41 41 ILE HA H 1 4.32 . . 1 . . . . . . . . 4138 1 272 . 1 1 41 41 ILE HB H 1 1.74 . . 1 . . . . . . . . 4138 1 273 . 1 1 41 41 ILE HG12 H 1 0.78 . . 1 . . . . . . . . 4138 1 274 . 1 1 41 41 ILE HG13 H 1 0.78 . . 1 . . . . . . . . 4138 1 275 . 1 1 41 41 ILE HG21 H 1 0.70 . . 1 . . . . . . . . 4138 1 276 . 1 1 41 41 ILE HG22 H 1 0.70 . . 1 . . . . . . . . 4138 1 277 . 1 1 41 41 ILE HG23 H 1 0.70 . . 1 . . . . . . . . 4138 1 278 . 1 1 41 41 ILE HD11 H 1 0.58 . . 1 . . . . . . . . 4138 1 279 . 1 1 41 41 ILE HD12 H 1 0.58 . . 1 . . . . . . . . 4138 1 280 . 1 1 41 41 ILE HD13 H 1 0.58 . . 1 . . . . . . . . 4138 1 281 . 1 1 42 42 ILE H H 1 8.68 . . 9 . . . . . . . . 4138 1 282 . 1 1 42 42 ILE HA H 1 4.89 . . 9 . . . . . . . . 4138 1 283 . 1 1 42 42 ILE HB H 1 1.96 . . 1 . . . . . . . . 4138 1 284 . 1 1 42 42 ILE HG12 H 1 1.27 . . 1 . . . . . . . . 4138 1 285 . 1 1 42 42 ILE HG13 H 1 1.27 . . 1 . . . . . . . . 4138 1 286 . 1 1 42 42 ILE HG21 H 1 0.74 . . 1 . . . . . . . . 4138 1 287 . 1 1 42 42 ILE HG22 H 1 0.74 . . 1 . . . . . . . . 4138 1 288 . 1 1 42 42 ILE HG23 H 1 0.74 . . 1 . . . . . . . . 4138 1 289 . 1 1 42 42 ILE HD11 H 1 0.62 . . 1 . . . . . . . . 4138 1 290 . 1 1 42 42 ILE HD12 H 1 0.62 . . 1 . . . . . . . . 4138 1 291 . 1 1 42 42 ILE HD13 H 1 0.62 . . 1 . . . . . . . . 4138 1 292 . 1 1 43 43 SER H H 1 8.10 . . 1 . . . . . . . . 4138 1 293 . 1 1 43 43 SER HA H 1 4.65 . . 1 . . . . . . . . 4138 1 294 . 1 1 43 43 SER HB2 H 1 4.23 . . 2 . . . . . . . . 4138 1 295 . 1 1 43 43 SER HB3 H 1 3.26 . . 2 . . . . . . . . 4138 1 296 . 1 1 44 44 SER H H 1 8.41 . . 1 . . . . . . . . 4138 1 297 . 1 1 44 44 SER HA H 1 4.73 . . 1 . . . . . . . . 4138 1 298 . 1 1 44 44 SER HB2 H 1 4.27 . . 2 . . . . . . . . 4138 1 299 . 1 1 44 44 SER HB3 H 1 4.10 . . 2 . . . . . . . . 4138 1 300 . 1 1 45 45 ALA H H 1 9.34 . . 1 . . . . . . . . 4138 1 301 . 1 1 45 45 ALA HA H 1 4.32 . . 1 . . . . . . . . 4138 1 302 . 1 1 45 45 ALA HB1 H 1 1.77 . . 1 . . . . . . . . 4138 1 303 . 1 1 45 45 ALA HB2 H 1 1.77 . . 1 . . . . . . . . 4138 1 304 . 1 1 45 45 ALA HB3 H 1 1.77 . . 1 . . . . . . . . 4138 1 305 . 1 1 46 46 THR H H 1 8.28 . . 1 . . . . . . . . 4138 1 306 . 1 1 46 46 THR HA H 1 4.01 . . 1 . . . . . . . . 4138 1 307 . 1 1 46 46 THR HB H 1 4.24 . . 1 . . . . . . . . 4138 1 308 . 1 1 46 46 THR HG21 H 1 1.38 . . 1 . . . . . . . . 4138 1 309 . 1 1 46 46 THR HG22 H 1 1.38 . . 1 . . . . . . . . 4138 1 310 . 1 1 46 46 THR HG23 H 1 1.38 . . 1 . . . . . . . . 4138 1 311 . 1 1 47 47 THR H H 1 7.47 . . 1 . . . . . . . . 4138 1 312 . 1 1 47 47 THR HA H 1 4.08 . . 1 . . . . . . . . 4138 1 313 . 1 1 47 47 THR HB H 1 4.41 . . 1 . . . . . . . . 4138 1 314 . 1 1 47 47 THR HG21 H 1 1.42 . . 1 . . . . . . . . 4138 1 315 . 1 1 47 47 THR HG22 H 1 1.42 . . 1 . . . . . . . . 4138 1 316 . 1 1 47 47 THR HG23 H 1 1.42 . . 1 . . . . . . . . 4138 1 317 . 1 1 48 48 VAL H H 1 7.47 . . 1 . . . . . . . . 4138 1 318 . 1 1 48 48 VAL HA H 1 3.83 . . 1 . . . . . . . . 4138 1 319 . 1 1 48 48 VAL HB H 1 2.40 . . 1 . . . . . . . . 4138 1 320 . 1 1 48 48 VAL HG11 H 1 1.09 . . 2 . . . . . . . . 4138 1 321 . 1 1 48 48 VAL HG12 H 1 1.09 . . 2 . . . . . . . . 4138 1 322 . 1 1 48 48 VAL HG13 H 1 1.09 . . 2 . . . . . . . . 4138 1 323 . 1 1 48 48 VAL HG21 H 1 1.06 . . 2 . . . . . . . . 4138 1 324 . 1 1 48 48 VAL HG22 H 1 1.06 . . 2 . . . . . . . . 4138 1 325 . 1 1 48 48 VAL HG23 H 1 1.06 . . 2 . . . . . . . . 4138 1 326 . 1 1 49 49 LYS H H 1 8.56 . . 1 . . . . . . . . 4138 1 327 . 1 1 49 49 LYS HA H 1 3.07 . . 1 . . . . . . . . 4138 1 328 . 1 1 49 49 LYS HB2 H 1 1.80 . . 2 . . . . . . . . 4138 1 329 . 1 1 49 49 LYS HB3 H 1 1.68 . . 2 . . . . . . . . 4138 1 330 . 1 1 49 49 LYS HG2 H 1 1.03 . . 2 . . . . . . . . 4138 1 331 . 1 1 49 49 LYS HG3 H 1 0.60 . . 2 . . . . . . . . 4138 1 332 . 1 1 49 49 LYS HD2 H 1 1.32 . . 1 . . . . . . . . 4138 1 333 . 1 1 49 49 LYS HD3 H 1 1.32 . . 1 . . . . . . . . 4138 1 334 . 1 1 49 49 LYS HE2 H 1 2.59 . . 2 . . . . . . . . 4138 1 335 . 1 1 49 49 LYS HE3 H 1 2.28 . . 2 . . . . . . . . 4138 1 336 . 1 1 50 50 ALA H H 1 7.28 . . 1 . . . . . . . . 4138 1 337 . 1 1 50 50 ALA HA H 1 4.05 . . 1 . . . . . . . . 4138 1 338 . 1 1 50 50 ALA HB1 H 1 1.54 . . 1 . . . . . . . . 4138 1 339 . 1 1 50 50 ALA HB2 H 1 1.54 . . 1 . . . . . . . . 4138 1 340 . 1 1 50 50 ALA HB3 H 1 1.54 . . 1 . . . . . . . . 4138 1 341 . 1 1 51 51 ILE H H 1 7.68 . . 1 . . . . . . . . 4138 1 342 . 1 1 51 51 ILE HA H 1 3.77 . . 1 . . . . . . . . 4138 1 343 . 1 1 51 51 ILE HB H 1 1.70 . . 1 . . . . . . . . 4138 1 344 . 1 1 51 51 ILE HG12 H 1 1.00 . . 1 . . . . . . . . 4138 1 345 . 1 1 51 51 ILE HG13 H 1 1.00 . . 1 . . . . . . . . 4138 1 346 . 1 1 51 51 ILE HG21 H 1 0.78 . . 1 . . . . . . . . 4138 1 347 . 1 1 51 51 ILE HG22 H 1 0.78 . . 1 . . . . . . . . 4138 1 348 . 1 1 51 51 ILE HG23 H 1 0.78 . . 1 . . . . . . . . 4138 1 349 . 1 1 51 51 ILE HD11 H 1 0.78 . . 1 . . . . . . . . 4138 1 350 . 1 1 51 51 ILE HD12 H 1 0.78 . . 1 . . . . . . . . 4138 1 351 . 1 1 51 51 ILE HD13 H 1 0.78 . . 1 . . . . . . . . 4138 1 352 . 1 1 52 52 CYS H H 1 7.27 . . 1 . . . . . . . . 4138 1 353 . 1 1 52 52 CYS HA H 1 4.72 . . 1 . . . . . . . . 4138 1 354 . 1 1 52 52 CYS HB2 H 1 2.85 . . 2 . . . . . . . . 4138 1 355 . 1 1 52 52 CYS HB3 H 1 2.01 . . 2 . . . . . . . . 4138 1 356 . 1 1 53 53 THR H H 1 7.34 . . 1 . . . . . . . . 4138 1 357 . 1 1 53 53 THR HA H 1 3.75 . . 1 . . . . . . . . 4138 1 358 . 1 1 53 53 THR HB H 1 4.01 . . 1 . . . . . . . . 4138 1 359 . 1 1 53 53 THR HG21 H 1 1.20 . . 1 . . . . . . . . 4138 1 360 . 1 1 53 53 THR HG22 H 1 1.20 . . 1 . . . . . . . . 4138 1 361 . 1 1 53 53 THR HG23 H 1 1.20 . . 1 . . . . . . . . 4138 1 362 . 1 1 54 54 GLY H H 1 9.24 . . 1 . . . . . . . . 4138 1 363 . 1 1 54 54 GLY HA2 H 1 4.08 . . 2 . . . . . . . . 4138 1 364 . 1 1 54 54 GLY HA3 H 1 3.54 . . 2 . . . . . . . . 4138 1 365 . 1 1 55 55 VAL H H 1 8.05 . . 1 . . . . . . . . 4138 1 366 . 1 1 55 55 VAL HA H 1 4.04 . . 1 . . . . . . . . 4138 1 367 . 1 1 55 55 VAL HB H 1 1.87 . . 1 . . . . . . . . 4138 1 368 . 1 1 55 55 VAL HG11 H 1 0.79 . . 1 . . . . . . . . 4138 1 369 . 1 1 55 55 VAL HG12 H 1 0.79 . . 1 . . . . . . . . 4138 1 370 . 1 1 55 55 VAL HG13 H 1 0.79 . . 1 . . . . . . . . 4138 1 371 . 1 1 55 55 VAL HG21 H 1 0.79 . . 1 . . . . . . . . 4138 1 372 . 1 1 55 55 VAL HG22 H 1 0.79 . . 1 . . . . . . . . 4138 1 373 . 1 1 55 55 VAL HG23 H 1 0.79 . . 1 . . . . . . . . 4138 1 374 . 1 1 56 56 ILE H H 1 8.14 . . 1 . . . . . . . . 4138 1 375 . 1 1 56 56 ILE HA H 1 3.85 . . 1 . . . . . . . . 4138 1 376 . 1 1 56 56 ILE HB H 1 1.97 . . 1 . . . . . . . . 4138 1 377 . 1 1 56 56 ILE HG12 H 1 1.47 . . 1 . . . . . . . . 4138 1 378 . 1 1 56 56 ILE HG13 H 1 1.47 . . 1 . . . . . . . . 4138 1 379 . 1 1 56 56 ILE HG21 H 1 0.98 . . 1 . . . . . . . . 4138 1 380 . 1 1 56 56 ILE HG22 H 1 0.98 . . 1 . . . . . . . . 4138 1 381 . 1 1 56 56 ILE HG23 H 1 0.98 . . 1 . . . . . . . . 4138 1 382 . 1 1 56 56 ILE HD11 H 1 0.77 . . 1 . . . . . . . . 4138 1 383 . 1 1 56 56 ILE HD12 H 1 0.77 . . 1 . . . . . . . . 4138 1 384 . 1 1 56 56 ILE HD13 H 1 0.77 . . 1 . . . . . . . . 4138 1 385 . 1 1 57 57 ASN H H 1 8.49 . . 1 . . . . . . . . 4138 1 386 . 1 1 57 57 ASN HA H 1 5.30 . . 1 . . . . . . . . 4138 1 387 . 1 1 57 57 ASN HB2 H 1 2.88 . . 2 . . . . . . . . 4138 1 388 . 1 1 57 57 ASN HB3 H 1 2.83 . . 2 . . . . . . . . 4138 1 389 . 1 1 57 57 ASN HD21 H 1 7.46 . . 2 . . . . . . . . 4138 1 390 . 1 1 57 57 ASN HD22 H 1 6.77 . . 2 . . . . . . . . 4138 1 391 . 1 1 58 58 MET H H 1 8.15 . . 1 . . . . . . . . 4138 1 392 . 1 1 58 58 MET HA H 1 4.50 . . 1 . . . . . . . . 4138 1 393 . 1 1 58 58 MET HB2 H 1 2.55 . . 1 . . . . . . . . 4138 1 394 . 1 1 58 58 MET HB3 H 1 2.55 . . 1 . . . . . . . . 4138 1 395 . 1 1 58 58 MET HG2 H 1 2.71 . . 2 . . . . . . . . 4138 1 396 . 1 1 58 58 MET HG3 H 1 1.71 . . 2 . . . . . . . . 4138 1 397 . 1 1 59 59 ASN H H 1 8.51 . . 1 . . . . . . . . 4138 1 398 . 1 1 59 59 ASN HA H 1 5.52 . . 1 . . . . . . . . 4138 1 399 . 1 1 59 59 ASN HB2 H 1 2.68 . . 2 . . . . . . . . 4138 1 400 . 1 1 59 59 ASN HB3 H 1 2.37 . . 2 . . . . . . . . 4138 1 401 . 1 1 59 59 ASN HD21 H 1 7.41 . . 2 . . . . . . . . 4138 1 402 . 1 1 59 59 ASN HD22 H 1 6.44 . . 2 . . . . . . . . 4138 1 403 . 1 1 60 60 VAL H H 1 9.13 . . 1 . . . . . . . . 4138 1 404 . 1 1 60 60 VAL HA H 1 4.20 . . 1 . . . . . . . . 4138 1 405 . 1 1 60 60 VAL HB H 1 1.82 . . 1 . . . . . . . . 4138 1 406 . 1 1 60 60 VAL HG11 H 1 0.90 . . 2 . . . . . . . . 4138 1 407 . 1 1 60 60 VAL HG12 H 1 0.90 . . 2 . . . . . . . . 4138 1 408 . 1 1 60 60 VAL HG13 H 1 0.90 . . 2 . . . . . . . . 4138 1 409 . 1 1 60 60 VAL HG21 H 1 0.84 . . 2 . . . . . . . . 4138 1 410 . 1 1 60 60 VAL HG22 H 1 0.84 . . 2 . . . . . . . . 4138 1 411 . 1 1 60 60 VAL HG23 H 1 0.84 . . 2 . . . . . . . . 4138 1 412 . 1 1 61 61 LEU H H 1 8.20 . . 1 . . . . . . . . 4138 1 413 . 1 1 61 61 LEU HA H 1 4.83 . . 1 . . . . . . . . 4138 1 414 . 1 1 61 61 LEU HB2 H 1 1.73 . . 2 . . . . . . . . 4138 1 415 . 1 1 61 61 LEU HB3 H 1 1.35 . . 2 . . . . . . . . 4138 1 416 . 1 1 61 61 LEU HG H 1 1.08 . . 1 . . . . . . . . 4138 1 417 . 1 1 61 61 LEU HD11 H 1 0.70 . . 2 . . . . . . . . 4138 1 418 . 1 1 61 61 LEU HD12 H 1 0.70 . . 2 . . . . . . . . 4138 1 419 . 1 1 61 61 LEU HD13 H 1 0.70 . . 2 . . . . . . . . 4138 1 420 . 1 1 61 61 LEU HD21 H 1 0.50 . . 2 . . . . . . . . 4138 1 421 . 1 1 61 61 LEU HD22 H 1 0.50 . . 2 . . . . . . . . 4138 1 422 . 1 1 61 61 LEU HD23 H 1 0.50 . . 2 . . . . . . . . 4138 1 423 . 1 1 62 62 SER H H 1 9.69 . . 1 . . . . . . . . 4138 1 424 . 1 1 62 62 SER HA H 1 4.47 . . 1 . . . . . . . . 4138 1 425 . 1 1 62 62 SER HB2 H 1 4.96 . . 2 . . . . . . . . 4138 1 426 . 1 1 62 62 SER HB3 H 1 4.33 . . 2 . . . . . . . . 4138 1 427 . 1 1 62 62 SER HG H 1 6.13 . . 1 . . . . . . . . 4138 1 428 . 1 1 63 63 THR H H 1 7.52 . . 1 . . . . . . . . 4138 1 429 . 1 1 63 63 THR HA H 1 4.60 . . 1 . . . . . . . . 4138 1 430 . 1 1 63 63 THR HB H 1 3.95 . . 1 . . . . . . . . 4138 1 431 . 1 1 63 63 THR HG21 H 1 0.98 . . 1 . . . . . . . . 4138 1 432 . 1 1 63 63 THR HG22 H 1 0.98 . . 1 . . . . . . . . 4138 1 433 . 1 1 63 63 THR HG23 H 1 0.98 . . 1 . . . . . . . . 4138 1 434 . 1 1 64 64 THR H H 1 8.81 . . 1 . . . . . . . . 4138 1 435 . 1 1 64 64 THR HA H 1 4.34 . . 1 . . . . . . . . 4138 1 436 . 1 1 64 64 THR HB H 1 4.34 . . 1 . . . . . . . . 4138 1 437 . 1 1 64 64 THR HG21 H 1 1.34 . . 1 . . . . . . . . 4138 1 438 . 1 1 64 64 THR HG22 H 1 1.34 . . 1 . . . . . . . . 4138 1 439 . 1 1 64 64 THR HG23 H 1 1.34 . . 1 . . . . . . . . 4138 1 440 . 1 1 65 65 ARG H H 1 8.41 . . 1 . . . . . . . . 4138 1 441 . 1 1 65 65 ARG HA H 1 3.71 . . 1 . . . . . . . . 4138 1 442 . 1 1 65 65 ARG HB2 H 1 1.34 . . 1 . . . . . . . . 4138 1 443 . 1 1 65 65 ARG HB3 H 1 1.34 . . 1 . . . . . . . . 4138 1 444 . 1 1 65 65 ARG HG2 H 1 1.07 . . 2 . . . . . . . . 4138 1 445 . 1 1 65 65 ARG HG3 H 1 0.18 . . 2 . . . . . . . . 4138 1 446 . 1 1 65 65 ARG HD2 H 1 2.86 . . 2 . . . . . . . . 4138 1 447 . 1 1 65 65 ARG HD3 H 1 2.75 . . 2 . . . . . . . . 4138 1 448 . 1 1 65 65 ARG HE H 1 6.84 . . 1 . . . . . . . . 4138 1 449 . 1 1 66 66 PHE H H 1 8.54 . . 9 . . . . . . . . 4138 1 450 . 1 1 66 66 PHE HA H 1 4.54 . . 9 . . . . . . . . 4138 1 451 . 1 1 66 66 PHE HB2 H 1 3.03 . . 2 . . . . . . . . 4138 1 452 . 1 1 66 66 PHE HB3 H 1 2.70 . . 2 . . . . . . . . 4138 1 453 . 1 1 66 66 PHE HD1 H 1 7.45 . . 1 . . . . . . . . 4138 1 454 . 1 1 66 66 PHE HD2 H 1 7.45 . . 1 . . . . . . . . 4138 1 455 . 1 1 66 66 PHE HE1 H 1 7.36 . . 1 . . . . . . . . 4138 1 456 . 1 1 66 66 PHE HE2 H 1 7.36 . . 1 . . . . . . . . 4138 1 457 . 1 1 66 66 PHE HZ H 1 7.45 . . 1 . . . . . . . . 4138 1 458 . 1 1 67 67 GLN H H 1 9.20 . . 9 . . . . . . . . 4138 1 459 . 1 1 67 67 GLN HA H 1 4.57 . . 9 . . . . . . . . 4138 1 460 . 1 1 67 67 GLN HB2 H 1 2.24 . . 2 . . . . . . . . 4138 1 461 . 1 1 67 67 GLN HB3 H 1 2.15 . . 2 . . . . . . . . 4138 1 462 . 1 1 67 67 GLN HG2 H 1 2.47 . . 2 . . . . . . . . 4138 1 463 . 1 1 67 67 GLN HG3 H 1 2.40 . . 2 . . . . . . . . 4138 1 464 . 1 1 67 67 GLN HE21 H 1 7.36 . . 2 . . . . . . . . 4138 1 465 . 1 1 67 67 GLN HE22 H 1 6.87 . . 2 . . . . . . . . 4138 1 466 . 1 1 68 68 LEU H H 1 8.96 . . 9 . . . . . . . . 4138 1 467 . 1 1 68 68 LEU HA H 1 5.58 . . 9 . . . . . . . . 4138 1 468 . 1 1 68 68 LEU HB2 H 1 1.85 . . 1 . . . . . . . . 4138 1 469 . 1 1 68 68 LEU HB3 H 1 1.85 . . 1 . . . . . . . . 4138 1 470 . 1 1 68 68 LEU HG H 1 1.99 . . 1 . . . . . . . . 4138 1 471 . 1 1 68 68 LEU HD11 H 1 1.28 . . 2 . . . . . . . . 4138 1 472 . 1 1 68 68 LEU HD12 H 1 1.28 . . 2 . . . . . . . . 4138 1 473 . 1 1 68 68 LEU HD13 H 1 1.28 . . 2 . . . . . . . . 4138 1 474 . 1 1 68 68 LEU HD21 H 1 0.82 . . 2 . . . . . . . . 4138 1 475 . 1 1 68 68 LEU HD22 H 1 0.82 . . 2 . . . . . . . . 4138 1 476 . 1 1 68 68 LEU HD23 H 1 0.82 . . 2 . . . . . . . . 4138 1 477 . 1 1 69 69 ASN H H 1 9.00 . . 9 . . . . . . . . 4138 1 478 . 1 1 69 69 ASN HA H 1 5.23 . . 9 . . . . . . . . 4138 1 479 . 1 1 69 69 ASN HB2 H 1 2.82 . . 2 . . . . . . . . 4138 1 480 . 1 1 69 69 ASN HB3 H 1 2.46 . . 2 . . . . . . . . 4138 1 481 . 1 1 69 69 ASN HD21 H 1 6.87 . . 2 . . . . . . . . 4138 1 482 . 1 1 69 69 ASN HD22 H 1 6.54 . . 2 . . . . . . . . 4138 1 483 . 1 1 70 70 THR H H 1 9.16 . . 1 . . . . . . . . 4138 1 484 . 1 1 70 70 THR HA H 1 4.98 . . 1 . . . . . . . . 4138 1 485 . 1 1 70 70 THR HB H 1 3.92 . . 1 . . . . . . . . 4138 1 486 . 1 1 70 70 THR HG21 H 1 1.00 . . 1 . . . . . . . . 4138 1 487 . 1 1 70 70 THR HG22 H 1 1.00 . . 1 . . . . . . . . 4138 1 488 . 1 1 70 70 THR HG23 H 1 1.00 . . 1 . . . . . . . . 4138 1 489 . 1 1 71 71 CYS H H 1 8.80 . . 1 . . . . . . . . 4138 1 490 . 1 1 71 71 CYS HA H 1 5.76 . . 1 . . . . . . . . 4138 1 491 . 1 1 71 71 CYS HB2 H 1 2.89 . . 2 . . . . . . . . 4138 1 492 . 1 1 71 71 CYS HB3 H 1 2.70 . . 2 . . . . . . . . 4138 1 493 . 1 1 72 72 THR H H 1 9.27 . . 1 . . . . . . . . 4138 1 494 . 1 1 72 72 THR HA H 1 5.12 . . 1 . . . . . . . . 4138 1 495 . 1 1 72 72 THR HB H 1 3.89 . . 1 . . . . . . . . 4138 1 496 . 1 1 72 72 THR HG21 H 1 1.22 . . 1 . . . . . . . . 4138 1 497 . 1 1 72 72 THR HG22 H 1 1.22 . . 1 . . . . . . . . 4138 1 498 . 1 1 72 72 THR HG23 H 1 1.22 . . 1 . . . . . . . . 4138 1 499 . 1 1 73 73 ARG H H 1 9.62 . . 1 . . . . . . . . 4138 1 500 . 1 1 73 73 ARG HA H 1 3.52 . . 1 . . . . . . . . 4138 1 501 . 1 1 73 73 ARG HB2 H 1 1.75 . . 2 . . . . . . . . 4138 1 502 . 1 1 73 73 ARG HB3 H 1 1.18 . . 2 . . . . . . . . 4138 1 503 . 1 1 74 74 THR H H 1 9.04 . . 1 . . . . . . . . 4138 1 504 . 1 1 74 74 THR HA H 1 4.31 . . 1 . . . . . . . . 4138 1 505 . 1 1 74 74 THR HB H 1 4.12 . . 1 . . . . . . . . 4138 1 506 . 1 1 74 74 THR HG21 H 1 1.18 . . 1 . . . . . . . . 4138 1 507 . 1 1 74 74 THR HG22 H 1 1.18 . . 1 . . . . . . . . 4138 1 508 . 1 1 74 74 THR HG23 H 1 1.18 . . 1 . . . . . . . . 4138 1 509 . 1 1 75 75 SER H H 1 7.14 . . 1 . . . . . . . . 4138 1 510 . 1 1 75 75 SER HA H 1 4.43 . . 1 . . . . . . . . 4138 1 511 . 1 1 75 75 SER HB2 H 1 3.66 . . 2 . . . . . . . . 4138 1 512 . 1 1 75 75 SER HB3 H 1 3.63 . . 2 . . . . . . . . 4138 1 513 . 1 1 76 76 ILE H H 1 8.15 . . 1 . . . . . . . . 4138 1 514 . 1 1 76 76 ILE HA H 1 4.04 . . 1 . . . . . . . . 4138 1 515 . 1 1 76 76 ILE HB H 1 1.71 . . 1 . . . . . . . . 4138 1 516 . 1 1 76 76 ILE HG21 H 1 0.86 . . 1 . . . . . . . . 4138 1 517 . 1 1 76 76 ILE HG22 H 1 0.86 . . 1 . . . . . . . . 4138 1 518 . 1 1 76 76 ILE HG23 H 1 0.86 . . 1 . . . . . . . . 4138 1 519 . 1 1 76 76 ILE HD11 H 1 0.68 . . 1 . . . . . . . . 4138 1 520 . 1 1 76 76 ILE HD12 H 1 0.68 . . 1 . . . . . . . . 4138 1 521 . 1 1 76 76 ILE HD13 H 1 0.68 . . 1 . . . . . . . . 4138 1 522 . 1 1 77 77 THR H H 1 7.43 . . 1 . . . . . . . . 4138 1 523 . 1 1 77 77 THR HA H 1 4.84 . . 1 . . . . . . . . 4138 1 524 . 1 1 77 77 THR HB H 1 3.33 . . 1 . . . . . . . . 4138 1 525 . 1 1 77 77 THR HG21 H 1 0.97 . . 1 . . . . . . . . 4138 1 526 . 1 1 77 77 THR HG22 H 1 0.97 . . 1 . . . . . . . . 4138 1 527 . 1 1 77 77 THR HG23 H 1 0.97 . . 1 . . . . . . . . 4138 1 528 . 1 1 78 78 PRO HB2 H 1 1.77 . . 2 . . . . . . . . 4138 1 529 . 1 1 78 78 PRO HB3 H 1 1.65 . . 2 . . . . . . . . 4138 1 530 . 1 1 78 78 PRO HG2 H 1 1.96 . . 2 . . . . . . . . 4138 1 531 . 1 1 78 78 PRO HG3 H 1 1.89 . . 2 . . . . . . . . 4138 1 532 . 1 1 78 78 PRO HD2 H 1 3.84 . . 2 . . . . . . . . 4138 1 533 . 1 1 78 78 PRO HD3 H 1 3.67 . . 2 . . . . . . . . 4138 1 534 . 1 1 78 78 PRO HA H 1 4.49 . . 1 . . . . . . . . 4138 1 535 . 1 1 79 79 ARG HA H 1 4.18 . . 1 . . . . . . . . 4138 1 536 . 1 1 79 79 ARG HB2 H 1 1.90 . . 2 . . . . . . . . 4138 1 537 . 1 1 79 79 ARG HB3 H 1 1.84 . . 2 . . . . . . . . 4138 1 538 . 1 1 79 79 ARG HG2 H 1 1.69 . . 1 . . . . . . . . 4138 1 539 . 1 1 79 79 ARG HG3 H 1 1.69 . . 1 . . . . . . . . 4138 1 540 . 1 1 79 79 ARG HD2 H 1 3.17 . . 1 . . . . . . . . 4138 1 541 . 1 1 79 79 ARG HD3 H 1 3.17 . . 1 . . . . . . . . 4138 1 542 . 1 1 80 80 PRO HA H 1 4.68 . . 1 . . . . . . . . 4138 1 543 . 1 1 80 80 PRO HB2 H 1 2.03 . . 1 . . . . . . . . 4138 1 544 . 1 1 80 80 PRO HB3 H 1 2.03 . . 1 . . . . . . . . 4138 1 545 . 1 1 80 80 PRO HG2 H 1 2.22 . . 1 . . . . . . . . 4138 1 546 . 1 1 80 80 PRO HG3 H 1 2.22 . . 1 . . . . . . . . 4138 1 547 . 1 1 80 80 PRO HD2 H 1 3.62 . . 2 . . . . . . . . 4138 1 548 . 1 1 80 80 PRO HD3 H 1 3.50 . . 2 . . . . . . . . 4138 1 549 . 1 1 81 81 CYS H H 1 8.43 . . 1 . . . . . . . . 4138 1 550 . 1 1 81 81 CYS HA H 1 3.83 . . 1 . . . . . . . . 4138 1 551 . 1 1 81 81 CYS HB2 H 1 2.21 . . 2 . . . . . . . . 4138 1 552 . 1 1 81 81 CYS HB3 H 1 1.93 . . 2 . . . . . . . . 4138 1 553 . 1 1 82 82 PRO HA H 1 4.84 . . 1 . . . . . . . . 4138 1 554 . 1 1 82 82 PRO HB2 H 1 1.83 . . 1 . . . . . . . . 4138 1 555 . 1 1 82 82 PRO HB3 H 1 1.83 . . 1 . . . . . . . . 4138 1 556 . 1 1 82 82 PRO HG2 H 1 1.47 . . 1 . . . . . . . . 4138 1 557 . 1 1 82 82 PRO HG3 H 1 1.47 . . 1 . . . . . . . . 4138 1 558 . 1 1 82 82 PRO HD2 H 1 3.25 . . 2 . . . . . . . . 4138 1 559 . 1 1 82 82 PRO HD3 H 1 3.24 . . 2 . . . . . . . . 4138 1 560 . 1 1 83 83 TYR H H 1 8.94 . . 1 . . . . . . . . 4138 1 561 . 1 1 83 83 TYR HA H 1 5.17 . . 1 . . . . . . . . 4138 1 562 . 1 1 83 83 TYR HB2 H 1 2.60 . . 2 . . . . . . . . 4138 1 563 . 1 1 83 83 TYR HB3 H 1 2.52 . . 2 . . . . . . . . 4138 1 564 . 1 1 83 83 TYR HD1 H 1 7.23 . . 9 . . . . . . . . 4138 1 565 . 1 1 83 83 TYR HD2 H 1 7.23 . . 9 . . . . . . . . 4138 1 566 . 1 1 83 83 TYR HE1 H 1 6.75 . . 9 . . . . . . . . 4138 1 567 . 1 1 83 83 TYR HE2 H 1 6.75 . . 9 . . . . . . . . 4138 1 568 . 1 1 84 84 SER H H 1 9.33 . . 1 . . . . . . . . 4138 1 569 . 1 1 84 84 SER HA H 1 4.83 . . 1 . . . . . . . . 4138 1 570 . 1 1 84 84 SER HB2 H 1 3.97 . . 2 . . . . . . . . 4138 1 571 . 1 1 84 84 SER HB3 H 1 3.79 . . 2 . . . . . . . . 4138 1 572 . 1 1 85 85 SER H H 1 8.41 . . 1 . . . . . . . . 4138 1 573 . 1 1 85 85 SER HA H 1 5.55 . . 1 . . . . . . . . 4138 1 574 . 1 1 85 85 SER HB2 H 1 4.04 . . 2 . . . . . . . . 4138 1 575 . 1 1 85 85 SER HB3 H 1 3.68 . . 2 . . . . . . . . 4138 1 576 . 1 1 86 86 ARG H H 1 8.50 . . 9 . . . . . . . . 4138 1 577 . 1 1 86 86 ARG HA H 1 4.82 . . 9 . . . . . . . . 4138 1 578 . 1 1 86 86 ARG HB2 H 1 1.84 . . 1 . . . . . . . . 4138 1 579 . 1 1 86 86 ARG HB3 H 1 1.84 . . 1 . . . . . . . . 4138 1 580 . 1 1 86 86 ARG HG2 H 1 1.72 . . 2 . . . . . . . . 4138 1 581 . 1 1 86 86 ARG HG3 H 1 1.47 . . 2 . . . . . . . . 4138 1 582 . 1 1 86 86 ARG HD2 H 1 3.26 . . 2 . . . . . . . . 4138 1 583 . 1 1 86 86 ARG HD3 H 1 3.25 . . 2 . . . . . . . . 4138 1 584 . 1 1 86 86 ARG HE H 1 7.16 . . 1 . . . . . . . . 4138 1 585 . 1 1 87 87 THR H H 1 8.78 . . 9 . . . . . . . . 4138 1 586 . 1 1 87 87 THR HA H 1 5.40 . . 9 . . . . . . . . 4138 1 587 . 1 1 87 87 THR HB H 1 4.30 . . 9 . . . . . . . . 4138 1 588 . 1 1 87 87 THR HG21 H 1 1.25 . . 1 . . . . . . . . 4138 1 589 . 1 1 87 87 THR HG22 H 1 1.25 . . 1 . . . . . . . . 4138 1 590 . 1 1 87 87 THR HG23 H 1 1.25 . . 1 . . . . . . . . 4138 1 591 . 1 1 88 88 GLU H H 1 8.48 . . 9 . . . . . . . . 4138 1 592 . 1 1 88 88 GLU HA H 1 4.71 . . 9 . . . . . . . . 4138 1 593 . 1 1 88 88 GLU HB2 H 1 1.93 . . 1 . . . . . . . . 4138 1 594 . 1 1 88 88 GLU HB3 H 1 1.93 . . 1 . . . . . . . . 4138 1 595 . 1 1 88 88 GLU HG2 H 1 2.20 . . 2 . . . . . . . . 4138 1 596 . 1 1 88 88 GLU HG3 H 1 2.12 . . 2 . . . . . . . . 4138 1 597 . 1 1 89 89 THR H H 1 8.51 . . 1 . . . . . . . . 4138 1 598 . 1 1 89 89 THR HA H 1 5.51 . . 1 . . . . . . . . 4138 1 599 . 1 1 89 89 THR HB H 1 3.89 . . 1 . . . . . . . . 4138 1 600 . 1 1 89 89 THR HG21 H 1 0.92 . . 1 . . . . . . . . 4138 1 601 . 1 1 89 89 THR HG22 H 1 0.92 . . 1 . . . . . . . . 4138 1 602 . 1 1 89 89 THR HG23 H 1 0.92 . . 1 . . . . . . . . 4138 1 603 . 1 1 90 90 ASN H H 1 8.50 . . 1 . . . . . . . . 4138 1 604 . 1 1 90 90 ASN HA H 1 5.85 . . 1 . . . . . . . . 4138 1 605 . 1 1 90 90 ASN HB2 H 1 2.57 . . 2 . . . . . . . . 4138 1 606 . 1 1 90 90 ASN HB3 H 1 2.54 . . 2 . . . . . . . . 4138 1 607 . 1 1 90 90 ASN HD21 H 1 7.25 . . 2 . . . . . . . . 4138 1 608 . 1 1 90 90 ASN HD22 H 1 6.61 . . 2 . . . . . . . . 4138 1 609 . 1 1 91 91 TYR H H 1 9.20 . . 1 . . . . . . . . 4138 1 610 . 1 1 91 91 TYR HA H 1 4.58 . . 1 . . . . . . . . 4138 1 611 . 1 1 91 91 TYR HB2 H 1 2.87 . . 2 . . . . . . . . 4138 1 612 . 1 1 91 91 TYR HB3 H 1 2.51 . . 2 . . . . . . . . 4138 1 613 . 1 1 91 91 TYR HD1 H 1 7.06 . . 1 . . . . . . . . 4138 1 614 . 1 1 91 91 TYR HD2 H 1 7.06 . . 1 . . . . . . . . 4138 1 615 . 1 1 91 91 TYR HE1 H 1 6.70 . . 1 . . . . . . . . 4138 1 616 . 1 1 91 91 TYR HE2 H 1 6.70 . . 1 . . . . . . . . 4138 1 617 . 1 1 92 92 ILE H H 1 8.82 . . 1 . . . . . . . . 4138 1 618 . 1 1 92 92 ILE HA H 1 4.98 . . 1 . . . . . . . . 4138 1 619 . 1 1 92 92 ILE HB H 1 2.35 . . 1 . . . . . . . . 4138 1 620 . 1 1 92 92 ILE HG12 H 1 1.12 . . 2 . . . . . . . . 4138 1 621 . 1 1 92 92 ILE HG13 H 1 0.73 . . 2 . . . . . . . . 4138 1 622 . 1 1 92 92 ILE HG21 H 1 0.53 . . 1 . . . . . . . . 4138 1 623 . 1 1 92 92 ILE HG22 H 1 0.53 . . 1 . . . . . . . . 4138 1 624 . 1 1 92 92 ILE HG23 H 1 0.53 . . 1 . . . . . . . . 4138 1 625 . 1 1 92 92 ILE HD11 H 1 0.32 . . 1 . . . . . . . . 4138 1 626 . 1 1 92 92 ILE HD12 H 1 0.32 . . 1 . . . . . . . . 4138 1 627 . 1 1 92 92 ILE HD13 H 1 0.32 . . 1 . . . . . . . . 4138 1 628 . 1 1 93 93 CYS H H 1 8.70 . . 1 . . . . . . . . 4138 1 629 . 1 1 93 93 CYS HA H 1 5.73 . . 1 . . . . . . . . 4138 1 630 . 1 1 93 93 CYS HB2 H 1 3.09 . . 2 . . . . . . . . 4138 1 631 . 1 1 93 93 CYS HB3 H 1 2.06 . . 2 . . . . . . . . 4138 1 632 . 1 1 94 94 VAL H H 1 8.85 . . 1 . . . . . . . . 4138 1 633 . 1 1 94 94 VAL HA H 1 4.79 . . 1 . . . . . . . . 4138 1 634 . 1 1 94 94 VAL HB H 1 1.91 . . 1 . . . . . . . . 4138 1 635 . 1 1 94 94 VAL HG11 H 1 0.73 . . 1 . . . . . . . . 4138 1 636 . 1 1 94 94 VAL HG12 H 1 0.73 . . 1 . . . . . . . . 4138 1 637 . 1 1 94 94 VAL HG13 H 1 0.73 . . 1 . . . . . . . . 4138 1 638 . 1 1 94 94 VAL HG21 H 1 0.73 . . 1 . . . . . . . . 4138 1 639 . 1 1 94 94 VAL HG22 H 1 0.73 . . 1 . . . . . . . . 4138 1 640 . 1 1 94 94 VAL HG23 H 1 0.73 . . 1 . . . . . . . . 4138 1 641 . 1 1 95 95 LYS H H 1 8.31 . . 1 . . . . . . . . 4138 1 642 . 1 1 95 95 LYS HA H 1 4.78 . . 1 . . . . . . . . 4138 1 643 . 1 1 95 95 LYS HB2 H 1 1.92 . . 2 . . . . . . . . 4138 1 644 . 1 1 95 95 LYS HB3 H 1 1.88 . . 2 . . . . . . . . 4138 1 645 . 1 1 95 95 LYS HG2 H 1 1.03 . . 1 . . . . . . . . 4138 1 646 . 1 1 95 95 LYS HG3 H 1 1.03 . . 1 . . . . . . . . 4138 1 647 . 1 1 95 95 LYS HD2 H 1 1.55 . . 1 . . . . . . . . 4138 1 648 . 1 1 95 95 LYS HD3 H 1 1.55 . . 1 . . . . . . . . 4138 1 649 . 1 1 96 96 CYS H H 1 8.70 . . 1 . . . . . . . . 4138 1 650 . 1 1 96 96 CYS HA H 1 5.25 . . 1 . . . . . . . . 4138 1 651 . 1 1 96 96 CYS HB2 H 1 2.94 . . 2 . . . . . . . . 4138 1 652 . 1 1 96 96 CYS HB3 H 1 2.53 . . 2 . . . . . . . . 4138 1 653 . 1 1 97 97 GLU H H 1 9.11 . . 1 . . . . . . . . 4138 1 654 . 1 1 97 97 GLU HA H 1 5.07 . . 1 . . . . . . . . 4138 1 655 . 1 1 97 97 GLU HB2 H 1 2.05 . . 2 . . . . . . . . 4138 1 656 . 1 1 97 97 GLU HB3 H 1 1.82 . . 2 . . . . . . . . 4138 1 657 . 1 1 97 97 GLU HG2 H 1 2.38 . . 2 . . . . . . . . 4138 1 658 . 1 1 97 97 GLU HG3 H 1 2.27 . . 2 . . . . . . . . 4138 1 659 . 1 1 98 98 ASN H H 1 10.43 . . 1 . . . . . . . . 4138 1 660 . 1 1 98 98 ASN HA H 1 4.38 . . 1 . . . . . . . . 4138 1 661 . 1 1 98 98 ASN HB2 H 1 3.23 . . 2 . . . . . . . . 4138 1 662 . 1 1 98 98 ASN HB3 H 1 2.88 . . 2 . . . . . . . . 4138 1 663 . 1 1 98 98 ASN HD21 H 1 7.70 . . 2 . . . . . . . . 4138 1 664 . 1 1 98 98 ASN HD22 H 1 6.95 . . 2 . . . . . . . . 4138 1 665 . 1 1 99 99 GLN H H 1 8.04 . . 1 . . . . . . . . 4138 1 666 . 1 1 99 99 GLN HA H 1 4.13 . . 1 . . . . . . . . 4138 1 667 . 1 1 99 99 GLN HB2 H 1 1.98 . . 2 . . . . . . . . 4138 1 668 . 1 1 99 99 GLN HB3 H 1 1.74 . . 2 . . . . . . . . 4138 1 669 . 1 1 99 99 GLN HG2 H 1 2.17 . . 2 . . . . . . . . 4138 1 670 . 1 1 99 99 GLN HG3 H 1 2.03 . . 2 . . . . . . . . 4138 1 671 . 1 1 99 99 GLN HE21 H 1 7.60 . . 2 . . . . . . . . 4138 1 672 . 1 1 99 99 GLN HE22 H 1 6.87 . . 2 . . . . . . . . 4138 1 673 . 1 1 100 100 TYR H H 1 7.66 . . 1 . . . . . . . . 4138 1 674 . 1 1 100 100 TYR HA H 1 4.56 . . 1 . . . . . . . . 4138 1 675 . 1 1 100 100 TYR HB2 H 1 2.67 . . 2 . . . . . . . . 4138 1 676 . 1 1 100 100 TYR HB3 H 1 2.46 . . 2 . . . . . . . . 4138 1 677 . 1 1 100 100 TYR HD1 H 1 6.60 . . 1 . . . . . . . . 4138 1 678 . 1 1 100 100 TYR HD2 H 1 6.60 . . 1 . . . . . . . . 4138 1 679 . 1 1 100 100 TYR HE1 H 1 6.32 . . 1 . . . . . . . . 4138 1 680 . 1 1 100 100 TYR HE2 H 1 6.32 . . 1 . . . . . . . . 4138 1 681 . 1 1 101 101 PRO HA H 1 4.64 . . 1 . . . . . . . . 4138 1 682 . 1 1 101 101 PRO HB2 H 1 2.23 . . 1 . . . . . . . . 4138 1 683 . 1 1 101 101 PRO HB3 H 1 2.23 . . 1 . . . . . . . . 4138 1 684 . 1 1 101 101 PRO HG2 H 1 1.90 . . 1 . . . . . . . . 4138 1 685 . 1 1 101 101 PRO HG3 H 1 1.90 . . 1 . . . . . . . . 4138 1 686 . 1 1 101 101 PRO HD2 H 1 3.84 . . 2 . . . . . . . . 4138 1 687 . 1 1 101 101 PRO HD3 H 1 3.67 . . 2 . . . . . . . . 4138 1 688 . 1 1 102 102 VAL H H 1 8.50 . . 1 . . . . . . . . 4138 1 689 . 1 1 102 102 VAL HA H 1 4.59 . . 1 . . . . . . . . 4138 1 690 . 1 1 102 102 VAL HB H 1 1.80 . . 1 . . . . . . . . 4138 1 691 . 1 1 102 102 VAL HG11 H 1 0.97 . . 2 . . . . . . . . 4138 1 692 . 1 1 102 102 VAL HG12 H 1 0.97 . . 2 . . . . . . . . 4138 1 693 . 1 1 102 102 VAL HG13 H 1 0.97 . . 2 . . . . . . . . 4138 1 694 . 1 1 102 102 VAL HG21 H 1 0.73 . . 2 . . . . . . . . 4138 1 695 . 1 1 102 102 VAL HG22 H 1 0.73 . . 2 . . . . . . . . 4138 1 696 . 1 1 102 102 VAL HG23 H 1 0.73 . . 2 . . . . . . . . 4138 1 697 . 1 1 103 103 HIS H H 1 7.30 . . 1 . . . . . . . . 4138 1 698 . 1 1 103 103 HIS HA H 1 5.66 . . 1 . . . . . . . . 4138 1 699 . 1 1 103 103 HIS HB2 H 1 3.23 . . 2 . . . . . . . . 4138 1 700 . 1 1 103 103 HIS HB3 H 1 3.17 . . 2 . . . . . . . . 4138 1 701 . 1 1 103 103 HIS HD2 H 1 7.17 . . 1 . . . . . . . . 4138 1 702 . 1 1 103 103 HIS HE1 H 1 8.68 . . 1 . . . . . . . . 4138 1 703 . 1 1 104 104 PHE H H 1 10.27 . . 1 . . . . . . . . 4138 1 704 . 1 1 104 104 PHE HA H 1 4.30 . . 1 . . . . . . . . 4138 1 705 . 1 1 104 104 PHE HB2 H 1 3.10 . . 2 . . . . . . . . 4138 1 706 . 1 1 104 104 PHE HB3 H 1 1.66 . . 2 . . . . . . . . 4138 1 707 . 1 1 104 104 PHE HD1 H 1 6.81 . . 1 . . . . . . . . 4138 1 708 . 1 1 104 104 PHE HD2 H 1 6.81 . . 1 . . . . . . . . 4138 1 709 . 1 1 104 104 PHE HE1 H 1 7.01 . . 1 . . . . . . . . 4138 1 710 . 1 1 104 104 PHE HE2 H 1 7.01 . . 1 . . . . . . . . 4138 1 711 . 1 1 105 105 ALA H H 1 8.28 . . 1 . . . . . . . . 4138 1 712 . 1 1 105 105 ALA HA H 1 4.57 . . 1 . . . . . . . . 4138 1 713 . 1 1 105 105 ALA HB1 H 1 0.98 . . 1 . . . . . . . . 4138 1 714 . 1 1 105 105 ALA HB2 H 1 0.98 . . 1 . . . . . . . . 4138 1 715 . 1 1 105 105 ALA HB3 H 1 0.98 . . 1 . . . . . . . . 4138 1 716 . 1 1 106 106 GLY H H 1 6.64 . . 1 . . . . . . . . 4138 1 717 . 1 1 106 106 GLY HA2 H 1 4.29 . . 2 . . . . . . . . 4138 1 718 . 1 1 106 106 GLY HA3 H 1 4.05 . . 2 . . . . . . . . 4138 1 719 . 1 1 107 107 ILE H H 1 8.51 . . 1 . . . . . . . . 4138 1 720 . 1 1 107 107 ILE HA H 1 4.60 . . 1 . . . . . . . . 4138 1 721 . 1 1 108 108 GLY H H 1 9.12 . . 1 . . . . . . . . 4138 1 722 . 1 1 108 108 GLY HA2 H 1 4.54 . . 2 . . . . . . . . 4138 1 723 . 1 1 108 108 GLY HA3 H 1 3.49 . . 2 . . . . . . . . 4138 1 724 . 1 1 109 109 ARG H H 1 7.26 . . 1 . . . . . . . . 4138 1 725 . 1 1 109 109 ARG HA H 1 4.48 . . 1 . . . . . . . . 4138 1 726 . 1 1 109 109 ARG HB2 H 1 1.95 . . 2 . . . . . . . . 4138 1 727 . 1 1 109 109 ARG HB3 H 1 1.75 . . 2 . . . . . . . . 4138 1 728 . 1 1 109 109 ARG HG2 H 1 1.60 . . 2 . . . . . . . . 4138 1 729 . 1 1 109 109 ARG HG3 H 1 1.33 . . 2 . . . . . . . . 4138 1 730 . 1 1 109 109 ARG HD2 H 1 3.19 . . 2 . . . . . . . . 4138 1 731 . 1 1 109 109 ARG HD3 H 1 3.16 . . 2 . . . . . . . . 4138 1 732 . 1 1 109 109 ARG HE H 1 7.04 . . 1 . . . . . . . . 4138 1 733 . 1 1 110 110 CYS H H 1 8.87 . . 1 . . . . . . . . 4138 1 734 . 1 1 110 110 CYS HA H 1 4.92 . . 1 . . . . . . . . 4138 1 735 . 1 1 110 110 CYS HB2 H 1 3.37 . . 2 . . . . . . . . 4138 1 736 . 1 1 110 110 CYS HB3 H 1 2.89 . . 2 . . . . . . . . 4138 1 737 . 1 1 111 111 PRO HA H 1 4.70 . . 1 . . . . . . . . 4138 1 738 . 1 1 111 111 PRO HB2 H 1 1.93 . . 1 . . . . . . . . 4138 1 739 . 1 1 111 111 PRO HB3 H 1 1.93 . . 1 . . . . . . . . 4138 1 740 . 1 1 111 111 PRO HG2 H 1 2.24 . . 1 . . . . . . . . 4138 1 741 . 1 1 111 111 PRO HG3 H 1 2.24 . . 1 . . . . . . . . 4138 1 742 . 1 1 111 111 PRO HD2 H 1 3.54 . . 2 . . . . . . . . 4138 1 743 . 1 1 111 111 PRO HD3 H 1 3.47 . . 2 . . . . . . . . 4138 1 stop_ save_ save_assigned_chemical_shifts_two _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_two _Assigned_chem_shift_list.Entry_ID 4138 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_one _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_one _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details ; This save frame contains the second shift observed for the following 11 residues ; _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 $sample_one . 4138 2 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 17 17 ILE H H 1 7.74 . . 9 . . . . . . . . 4138 2 2 . 1 1 22 22 ILE H H 1 7.99 . . 9 . . . . . . . . 4138 2 3 . 1 1 37 37 VAL H H 1 7.65 . . 9 . . . . . . . . 4138 2 4 . 1 1 37 37 VAL HA H 1 5.34 . . 9 . . . . . . . . 4138 2 5 . 1 1 42 42 ILE H H 1 8.66 . . 9 . . . . . . . . 4138 2 6 . 1 1 42 42 ILE HA H 1 4.87 . . 9 . . . . . . . . 4138 2 7 . 1 1 66 66 PHE H H 1 8.57 . . 9 . . . . . . . . 4138 2 8 . 1 1 66 66 PHE HA H 1 4.57 . . 9 . . . . . . . . 4138 2 9 . 1 1 67 67 GLN H H 1 9.34 . . 9 . . . . . . . . 4138 2 10 . 1 1 67 67 GLN HA H 1 4.51 . . 9 . . . . . . . . 4138 2 11 . 1 1 68 68 LEU H H 1 8.99 . . 9 . . . . . . . . 4138 2 12 . 1 1 68 68 LEU HA H 1 5.57 . . 9 . . . . . . . . 4138 2 13 . 1 1 69 69 ASN H H 1 8.96 . . 9 . . . . . . . . 4138 2 14 . 1 1 69 69 ASN HA H 1 5.18 . . 9 . . . . . . . . 4138 2 15 . 1 1 83 83 TYR HD1 H 1 6.52 . . 9 . . . . . . . . 4138 2 16 . 1 1 83 83 TYR HD2 H 1 6.52 . . 9 . . . . . . . . 4138 2 17 . 1 1 83 83 TYR HE1 H 1 6.60 . . 9 . . . . . . . . 4138 2 18 . 1 1 83 83 TYR HE2 H 1 6.60 . . 9 . . . . . . . . 4138 2 19 . 1 1 86 86 ARG H H 1 8.49 . . 9 . . . . . . . . 4138 2 20 . 1 1 86 86 ARG HA H 1 4.81 . . 9 . . . . . . . . 4138 2 21 . 1 1 87 87 THR H H 1 8.80 . . 9 . . . . . . . . 4138 2 22 . 1 1 87 87 THR HA H 1 5.30 . . 9 . . . . . . . . 4138 2 23 . 1 1 87 87 THR HB H 1 4.32 . . 9 . . . . . . . . 4138 2 24 . 1 1 88 88 GLU H H 1 8.44 . . 9 . . . . . . . . 4138 2 25 . 1 1 88 88 GLU HA H 1 4.75 . . 9 . . . . . . . . 4138 2 stop_ save_