data_4449 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4449 _Entry.Title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for Intramolecular Dimer Antifreeze Protein RD ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 1999-11-02 _Entry.Accession_date 1999-11-03 _Entry.Last_release_date 2000-03-22 _Entry.Original_release_date 2000-03-22 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _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 Kazunori Miura . . . 4449 2 Satoru Ohgiya . . . 4449 3 Tamotsu Hoshino . . . 4449 4 Nobuaki Nemoto . . . 4449 5 Katsutoshi Nitta . . . 4449 6 Sakae Tsuda . . . 4449 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 4449 coupling_constants 1 4449 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 259 4449 '15N chemical shifts' 140 4449 '1H chemical shifts' 973 4449 'coupling constants' 80 4449 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 . . 2000-03-22 1999-11-02 original author . 4449 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4449 _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 ; Letter to the Editor: Assignments of 1H, 13C, and 15N resonances of intramolecular dimer antifreeze protein RD3 ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full 'Journal of Biomolecular NMR' _Citation.Journal_volume 16 _Citation.Journal_issue 3 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 273 _Citation.Page_last 274 _Citation.Year 2000 _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 Kazunori Miura . . . 4449 1 2 Satoru Ohgiya . . . 4449 1 3 Tamotsu Hoshino . . . 4449 1 4 Nobuaki Nemoto . . . 4449 1 5 Katsutoshi Nitta . . . 4449 1 6 Sakae Tsuda . . . 4449 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID antifreeze 4449 1 'intramolecular dimer' 4449 1 RD3 4449 1 stop_ save_ save_ref_1 _Citation.Sf_category citations _Citation.Sf_framecode ref_1 _Citation.Entry_ID 4449 _Citation.ID 2 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 10423534 _Citation.Full_citation ; MEDLINE_UI_code 99353969 J Biochem (Tokyo) 1999 Aug;126(2):387-94 Determination of the solution structure of the N-domain plus linker of antarctic eel pout antifreeze protein RD3. Miura K, Ohgiya S, Hoshino T, Nemoto N, Odaira M, Nitta K, Tsuda S ; _Citation.Title 'Determination of the solution structure of the N-domain plus linker of Antarctic eel pout antifreeze protein RD3.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biochem.' _Citation.Journal_name_full 'Journal of biochemistry' _Citation.Journal_volume 126 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN 0021-924X _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 387 _Citation.Page_last 394 _Citation.Year 1999 _Citation.Details ; RD3, a new antifreeze protein (AFP) extracted from antarctic eel pout is a single polypeptide divided into homologous N-terminal (residues Asn(1)-Glu(64)) and C-terminal (residues Ser(74)-Glu(134)) domains, each of which has a high sequence identity with Type III AFP. A 9-residue linker (-D(65)GTTSPGLK(73)-) connects these two domains in tandem and is thought to play a significant role in defining the nature of the intact molecule. The present paper shows for the first time the solution structure and preliminary (15)N-NMR backbone dynamics data of the N-domain plus the linker of recombinant RD3 protein (RD3-Nl: residues 1-73) by employing homo- and heteronuclear multidimensional NMR spectroscopy. Forty converged structures of RD3-Nl were successfully calculated by using a total of 958 NMR-derived structural restraints. It was found that the N-domain of RD3-Nl has a globular form comprising six beta-strands, three type III turns, and several loops, which stabilize a flat, ice-binding site formed on one side of this domain. Further, the linker portion appears to have a definitive structure, which is independent of the globular N-domain. This definitive linker is roughly divided into two short strands, -D(65)GTTSP(70)- and -G(71)LK(73)-, which are bent around -T(67)TSPG(71)- at an angle of approximately 60 degrees. This bending motif of the linker may function to orient the two ice-binding sites of the N- and C-domains of RD3 in the same direction, leading to their simultaneous interactions with the ice crystal surface. ; 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 K. Miura K. . . 4449 2 2 S. Ohgiya S. . . 4449 2 3 T. Hoshino T. . . 4449 2 4 N. Nemoto N. . . 4449 2 5 M. Odaira M. . . 4449 2 6 K. Nitta K. . . 4449 2 7 S. Tsuda S. . . 4449 2 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_RD3 _Assembly.Sf_category assembly _Assembly.Sf_framecode RD3 _Assembly.Entry_ID 4449 _Assembly.ID 1 _Assembly.Name 'antifreeze protein type III intramolecular dimer RD3' _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 'not present' _Assembly.Molecular_mass . _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 'intramolecular dimer' 4449 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 RD3 1 $AFP_type_III . . . native . . . . . 4449 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 3NLA . 'Nmr Structure Of The N-Terminal Domain With A Linker Portion Of Antarctic Eel Pout Antifreeze Protein Rd3, 40 Structures' . . . . 4449 1 . PDB 3RDN . 'Nmr Structure Of The N-Terminal Domain With A Linker Portion Of Antarctic Eel Pout Antifreeze Protein Rd3, Minimized Average Structure' . . . . 4449 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'antifreeze protein type III intramolecular dimer RD3' system 4449 1 RD3 abbreviation 4449 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID ; ice growth inhibitor thermal hysteresis protein ; 4449 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_AFP_type_III _Entity.Sf_category entity _Entity.Sf_framecode AFP_type_III _Entity.Entry_ID 4449 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'antifreeze protein type III' _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 ; NKASVVANQLIPINTALTLI MMKAEVVTPMGIPAEEIPNL VGMQVNRAVPLGTTLMPDMV KNYEDGTTSPGLKSVVANQL IPINTALTLVMMKAEEVSPK GIPSEEISKLVGMQVNRAVY LDQTLMPDMVKNYE ; _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 134 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _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 2015-11-24 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 BMRB 4450 . "antifreeze protein type III" . . . . . 100.00 134 100.00 100.00 2.67e-87 . . . . 4449 1 2 no PDB 1C89 . "Nmr Structure Of Intramolecular Dimer Antifreeze Protein Rd3, 40 Sa Structures" . . . . . 100.00 134 100.00 100.00 2.67e-87 . . . . 4449 1 3 no PDB 1C8A . "Nmr Structure Of Intramolecular Dimer Antifreeze Protein Rd3, 40 Sa Structures" . . . . . 100.00 134 100.00 100.00 2.67e-87 . . . . 4449 1 4 no PRF 2109220B . "antifreeze peptide:ISOTYPE=RD3 [Lycodichthys dearborni]" . . . . . 100.00 134 100.00 100.00 2.67e-87 . . . . 4449 1 5 no SP P35753 . "RecName: Full=Ice-structuring protein RD3; Short=ISP RD3; AltName: Full=Antifreeze peptide RD3" . . . . . 100.00 134 100.00 100.00 2.67e-87 . . . . 4449 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'AFP type III' abbreviation 4449 1 'antifreeze protein type III' common 4449 1 RD3 variant 4449 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 . ASN . 4449 1 2 . LYS . 4449 1 3 . ALA . 4449 1 4 . SER . 4449 1 5 . VAL . 4449 1 6 . VAL . 4449 1 7 . ALA . 4449 1 8 . ASN . 4449 1 9 . GLN . 4449 1 10 . LEU . 4449 1 11 . ILE . 4449 1 12 . PRO . 4449 1 13 . ILE . 4449 1 14 . ASN . 4449 1 15 . THR . 4449 1 16 . ALA . 4449 1 17 . LEU . 4449 1 18 . THR . 4449 1 19 . LEU . 4449 1 20 . ILE . 4449 1 21 . MET . 4449 1 22 . MET . 4449 1 23 . LYS . 4449 1 24 . ALA . 4449 1 25 . GLU . 4449 1 26 . VAL . 4449 1 27 . VAL . 4449 1 28 . THR . 4449 1 29 . PRO . 4449 1 30 . MET . 4449 1 31 . GLY . 4449 1 32 . ILE . 4449 1 33 . PRO . 4449 1 34 . ALA . 4449 1 35 . GLU . 4449 1 36 . GLU . 4449 1 37 . ILE . 4449 1 38 . PRO . 4449 1 39 . ASN . 4449 1 40 . LEU . 4449 1 41 . VAL . 4449 1 42 . GLY . 4449 1 43 . MET . 4449 1 44 . GLN . 4449 1 45 . VAL . 4449 1 46 . ASN . 4449 1 47 . ARG . 4449 1 48 . ALA . 4449 1 49 . VAL . 4449 1 50 . PRO . 4449 1 51 . LEU . 4449 1 52 . GLY . 4449 1 53 . THR . 4449 1 54 . THR . 4449 1 55 . LEU . 4449 1 56 . MET . 4449 1 57 . PRO . 4449 1 58 . ASP . 4449 1 59 . MET . 4449 1 60 . VAL . 4449 1 61 . LYS . 4449 1 62 . ASN . 4449 1 63 . TYR . 4449 1 64 . GLU . 4449 1 65 . ASP . 4449 1 66 . GLY . 4449 1 67 . THR . 4449 1 68 . THR . 4449 1 69 . SER . 4449 1 70 . PRO . 4449 1 71 . GLY . 4449 1 72 . LEU . 4449 1 73 . LYS . 4449 1 74 . SER . 4449 1 75 . VAL . 4449 1 76 . VAL . 4449 1 77 . ALA . 4449 1 78 . ASN . 4449 1 79 . GLN . 4449 1 80 . LEU . 4449 1 81 . ILE . 4449 1 82 . PRO . 4449 1 83 . ILE . 4449 1 84 . ASN . 4449 1 85 . THR . 4449 1 86 . ALA . 4449 1 87 . LEU . 4449 1 88 . THR . 4449 1 89 . LEU . 4449 1 90 . VAL . 4449 1 91 . MET . 4449 1 92 . MET . 4449 1 93 . LYS . 4449 1 94 . ALA . 4449 1 95 . GLU . 4449 1 96 . GLU . 4449 1 97 . VAL . 4449 1 98 . SER . 4449 1 99 . PRO . 4449 1 100 . LYS . 4449 1 101 . GLY . 4449 1 102 . ILE . 4449 1 103 . PRO . 4449 1 104 . SER . 4449 1 105 . GLU . 4449 1 106 . GLU . 4449 1 107 . ILE . 4449 1 108 . SER . 4449 1 109 . LYS . 4449 1 110 . LEU . 4449 1 111 . VAL . 4449 1 112 . GLY . 4449 1 113 . MET . 4449 1 114 . GLN . 4449 1 115 . VAL . 4449 1 116 . ASN . 4449 1 117 . ARG . 4449 1 118 . ALA . 4449 1 119 . VAL . 4449 1 120 . TYR . 4449 1 121 . LEU . 4449 1 122 . ASP . 4449 1 123 . GLN . 4449 1 124 . THR . 4449 1 125 . LEU . 4449 1 126 . MET . 4449 1 127 . PRO . 4449 1 128 . ASP . 4449 1 129 . MET . 4449 1 130 . VAL . 4449 1 131 . LYS . 4449 1 132 . ASN . 4449 1 133 . TYR . 4449 1 134 . GLU . 4449 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 . ASN 1 1 4449 1 . LYS 2 2 4449 1 . ALA 3 3 4449 1 . SER 4 4 4449 1 . VAL 5 5 4449 1 . VAL 6 6 4449 1 . ALA 7 7 4449 1 . ASN 8 8 4449 1 . GLN 9 9 4449 1 . LEU 10 10 4449 1 . ILE 11 11 4449 1 . PRO 12 12 4449 1 . ILE 13 13 4449 1 . ASN 14 14 4449 1 . THR 15 15 4449 1 . ALA 16 16 4449 1 . LEU 17 17 4449 1 . THR 18 18 4449 1 . LEU 19 19 4449 1 . ILE 20 20 4449 1 . MET 21 21 4449 1 . MET 22 22 4449 1 . LYS 23 23 4449 1 . ALA 24 24 4449 1 . GLU 25 25 4449 1 . VAL 26 26 4449 1 . VAL 27 27 4449 1 . THR 28 28 4449 1 . PRO 29 29 4449 1 . MET 30 30 4449 1 . GLY 31 31 4449 1 . ILE 32 32 4449 1 . PRO 33 33 4449 1 . ALA 34 34 4449 1 . GLU 35 35 4449 1 . GLU 36 36 4449 1 . ILE 37 37 4449 1 . PRO 38 38 4449 1 . ASN 39 39 4449 1 . LEU 40 40 4449 1 . VAL 41 41 4449 1 . GLY 42 42 4449 1 . MET 43 43 4449 1 . GLN 44 44 4449 1 . VAL 45 45 4449 1 . ASN 46 46 4449 1 . ARG 47 47 4449 1 . ALA 48 48 4449 1 . VAL 49 49 4449 1 . PRO 50 50 4449 1 . LEU 51 51 4449 1 . GLY 52 52 4449 1 . THR 53 53 4449 1 . THR 54 54 4449 1 . LEU 55 55 4449 1 . MET 56 56 4449 1 . PRO 57 57 4449 1 . ASP 58 58 4449 1 . MET 59 59 4449 1 . VAL 60 60 4449 1 . LYS 61 61 4449 1 . ASN 62 62 4449 1 . TYR 63 63 4449 1 . GLU 64 64 4449 1 . ASP 65 65 4449 1 . GLY 66 66 4449 1 . THR 67 67 4449 1 . THR 68 68 4449 1 . SER 69 69 4449 1 . PRO 70 70 4449 1 . GLY 71 71 4449 1 . LEU 72 72 4449 1 . LYS 73 73 4449 1 . SER 74 74 4449 1 . VAL 75 75 4449 1 . VAL 76 76 4449 1 . ALA 77 77 4449 1 . ASN 78 78 4449 1 . GLN 79 79 4449 1 . LEU 80 80 4449 1 . ILE 81 81 4449 1 . PRO 82 82 4449 1 . ILE 83 83 4449 1 . ASN 84 84 4449 1 . THR 85 85 4449 1 . ALA 86 86 4449 1 . LEU 87 87 4449 1 . THR 88 88 4449 1 . LEU 89 89 4449 1 . VAL 90 90 4449 1 . MET 91 91 4449 1 . MET 92 92 4449 1 . LYS 93 93 4449 1 . ALA 94 94 4449 1 . GLU 95 95 4449 1 . GLU 96 96 4449 1 . VAL 97 97 4449 1 . SER 98 98 4449 1 . PRO 99 99 4449 1 . LYS 100 100 4449 1 . GLY 101 101 4449 1 . ILE 102 102 4449 1 . PRO 103 103 4449 1 . SER 104 104 4449 1 . GLU 105 105 4449 1 . GLU 106 106 4449 1 . ILE 107 107 4449 1 . SER 108 108 4449 1 . LYS 109 109 4449 1 . LEU 110 110 4449 1 . VAL 111 111 4449 1 . GLY 112 112 4449 1 . MET 113 113 4449 1 . GLN 114 114 4449 1 . VAL 115 115 4449 1 . ASN 116 116 4449 1 . ARG 117 117 4449 1 . ALA 118 118 4449 1 . VAL 119 119 4449 1 . TYR 120 120 4449 1 . LEU 121 121 4449 1 . ASP 122 122 4449 1 . GLN 123 123 4449 1 . THR 124 124 4449 1 . LEU 125 125 4449 1 . MET 126 126 4449 1 . PRO 127 127 4449 1 . ASP 128 128 4449 1 . MET 129 129 4449 1 . VAL 130 130 4449 1 . LYS 131 131 4449 1 . ASN 132 132 4449 1 . TYR 133 133 4449 1 . GLU 134 134 4449 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 4449 _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 $AFP_type_III . 8195 organism . 'Austrolycichthys brachycephalus' 'Antarctic eelpout' . . Eukaryota Metazoa Austrolycichthys brachycephalus . . . . . . . . . . . . . . . . . . . . . 4449 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 4449 _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 $AFP_type_III . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli JM105 . . . . . . . . . . . . plasmid . . pkk223-3UC . . . . . . 4449 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 4449 _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 'antifreeze protein type III' . . . 1 $AFP_type_III . . 1.0 . . mM . . . . 4449 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 4449 _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 'antifreeze protein type III' '[U-90% 15N]' . . 1 $AFP_type_III . . 1.0 . . mM . . . . 4449 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 4449 _Sample.ID 3 _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 'antifreeze protein type III' '[U-95% 13C; U-90% 15N]' . . 1 $AFP_type_III . . 1.0 . . mM . . . . 4449 3 stop_ save_ ####################### # Sample conditions # ####################### save_Ex-cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode Ex-cond_1 _Sample_condition_list.Entry_ID 4449 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.025 0.001 M 4449 1 pH 6.8 0.1 n/a 4449 1 temperature 277 1 K 4449 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 4449 _Software.ID 1 _Software.Name NMRPipe _Software.Version 1.6 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data processing' 4449 1 stop_ save_ save_PIPP _Software.Sf_category software _Software.Sf_framecode PIPP _Software.Entry_ID 4449 _Software.ID 2 _Software.Name PIPP _Software.Version 4.0.4 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID assignment 4449 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 4449 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Unity _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 4449 _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 NMR_spectrometer Varian Unity . 500 . . . 4449 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 4449 _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 '1H-15N NOESY' . . . . . . . . . . . . . . . . 1 $Ex-cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 4449 1 2 '1H-15N TOCSY' . . . . . . . . . . . . . . . . 1 $Ex-cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 4449 1 3 HNCA . . . . . . . . . . . . . . . . 1 $Ex-cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 4449 1 4 HNCACB . . . . . . . . . . . . . . . . 1 $Ex-cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 4449 1 5 CBCA(CO)NH . . . . . . . . . . . . . . . . 1 $Ex-cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 4449 1 6 HCCH-TOCSY . . . . . . . . . . . . . . . . 1 $Ex-cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 4449 1 7 C(CO)NH . . . . . . . . . . . . . . . . 1 $Ex-cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 4449 1 8 HC(CO)NH . . . . . . . . . . . . . . . . 1 $Ex-cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 4449 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 4449 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '1H-15N NOESY' _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 $NMR_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 . _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_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 4449 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '1H-15N TOCSY' _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 $NMR_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 . _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_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 4449 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name HNCA _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 $NMR_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 . _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_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 4449 _NMR_spec_expt.ID 4 _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 $NMR_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 . _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_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 4449 _NMR_spec_expt.ID 5 _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 $NMR_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 . _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_NMR_spec_expt__0_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 4449 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name HCCH-TOCSY _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 $NMR_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 . _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_NMR_spec_expt__0_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_7 _NMR_spec_expt.Entry_ID 4449 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name C(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 $NMR_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 . _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_NMR_spec_expt__0_8 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_8 _NMR_spec_expt.Entry_ID 4449 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name HC(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 $NMR_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 . _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_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 4449 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 4449 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 4449 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 4449 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_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_set_1 _Assigned_chem_shift_list.Entry_ID 4449 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Ex-cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_1 . 4449 1 . . 2 $sample_2 . 4449 1 . . 3 $sample_3 . 4449 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 ASN H H 1 8.40 0.03 . 1 . . . . . . . . 4449 1 2 . 1 1 1 1 ASN HA H 1 4.82 0.03 . 1 . . . . . . . . 4449 1 3 . 1 1 1 1 ASN HB2 H 1 2.73 0.03 . 1 . . . . . . . . 4449 1 4 . 1 1 1 1 ASN HB3 H 1 2.96 0.03 . 1 . . . . . . . . 4449 1 5 . 1 1 1 1 ASN HD21 H 1 7.10 0.03 . 1 . . . . . . . . 4449 1 6 . 1 1 1 1 ASN HD22 H 1 7.66 0.03 . 1 . . . . . . . . 4449 1 7 . 1 1 1 1 ASN CA C 13 53.09 0.50 . 1 . . . . . . . . 4449 1 8 . 1 1 1 1 ASN CB C 13 39.11 0.50 . 1 . . . . . . . . 4449 1 9 . 1 1 1 1 ASN N N 15 113.03 0.25 . 1 . . . . . . . . 4449 1 10 . 1 1 1 1 ASN ND2 N 15 113.69 0.25 . 1 . . . . . . . . 4449 1 11 . 1 1 2 2 LYS H H 1 8.38 0.03 . 1 . . . . . . . . 4449 1 12 . 1 1 2 2 LYS HA H 1 4.42 0.03 . 1 . . . . . . . . 4449 1 13 . 1 1 2 2 LYS HB2 H 1 2.09 0.03 . 1 . . . . . . . . 4449 1 14 . 1 1 2 2 LYS HB3 H 1 2.09 0.03 . 1 . . . . . . . . 4449 1 15 . 1 1 2 2 LYS HD2 H 1 1.82 0.03 . 1 . . . . . . . . 4449 1 16 . 1 1 2 2 LYS HD3 H 1 1.82 0.03 . 1 . . . . . . . . 4449 1 17 . 1 1 2 2 LYS HG2 H 1 1.54 0.03 . 1 . . . . . . . . 4449 1 18 . 1 1 2 2 LYS HG3 H 1 1.60 0.03 . 1 . . . . . . . . 4449 1 19 . 1 1 2 2 LYS HE2 H 1 3.08 0.03 . 1 . . . . . . . . 4449 1 20 . 1 1 2 2 LYS HE3 H 1 3.08 0.03 . 1 . . . . . . . . 4449 1 21 . 1 1 2 2 LYS CA C 13 56.02 0.50 . 1 . . . . . . . . 4449 1 22 . 1 1 2 2 LYS CB C 13 32.99 0.50 . 1 . . . . . . . . 4449 1 23 . 1 1 2 2 LYS N N 15 120.88 0.25 . 1 . . . . . . . . 4449 1 24 . 1 1 3 3 ALA H H 1 8.82 0.03 . 1 . . . . . . . . 4449 1 25 . 1 1 3 3 ALA HA H 1 4.33 0.03 . 1 . . . . . . . . 4449 1 26 . 1 1 3 3 ALA HB1 H 1 1.31 0.03 . 1 . . . . . . . . 4449 1 27 . 1 1 3 3 ALA HB2 H 1 1.31 0.03 . 1 . . . . . . . . 4449 1 28 . 1 1 3 3 ALA HB3 H 1 1.31 0.03 . 1 . . . . . . . . 4449 1 29 . 1 1 3 3 ALA CA C 13 52.33 0.50 . 1 . . . . . . . . 4449 1 30 . 1 1 3 3 ALA CB C 13 19.78 0.50 . 1 . . . . . . . . 4449 1 31 . 1 1 3 3 ALA N N 15 124.52 0.25 . 1 . . . . . . . . 4449 1 32 . 1 1 4 4 SER H H 1 9.05 0.03 . 1 . . . . . . . . 4449 1 33 . 1 1 4 4 SER HA H 1 5.45 0.03 . 1 . . . . . . . . 4449 1 34 . 1 1 4 4 SER HB2 H 1 3.70 0.03 . 1 . . . . . . . . 4449 1 35 . 1 1 4 4 SER HB3 H 1 3.70 0.03 . 1 . . . . . . . . 4449 1 36 . 1 1 4 4 SER CA C 13 57.96 0.50 . 1 . . . . . . . . 4449 1 37 . 1 1 4 4 SER CB C 13 66.88 0.50 . 1 . . . . . . . . 4449 1 38 . 1 1 4 4 SER N N 15 119.36 0.25 . 1 . . . . . . . . 4449 1 39 . 1 1 5 5 VAL H H 1 8.40 0.03 . 1 . . . . . . . . 4449 1 40 . 1 1 5 5 VAL HA H 1 4.17 0.03 . 1 . . . . . . . . 4449 1 41 . 1 1 5 5 VAL HB H 1 1.93 0.03 . 1 . . . . . . . . 4449 1 42 . 1 1 5 5 VAL HG11 H 1 0.83 0.03 . 1 . . . . . . . . 4449 1 43 . 1 1 5 5 VAL HG12 H 1 0.83 0.03 . 1 . . . . . . . . 4449 1 44 . 1 1 5 5 VAL HG13 H 1 0.83 0.03 . 1 . . . . . . . . 4449 1 45 . 1 1 5 5 VAL HG21 H 1 0.83 0.03 . 1 . . . . . . . . 4449 1 46 . 1 1 5 5 VAL HG22 H 1 0.83 0.03 . 1 . . . . . . . . 4449 1 47 . 1 1 5 5 VAL HG23 H 1 0.83 0.03 . 1 . . . . . . . . 4449 1 48 . 1 1 5 5 VAL CA C 13 63.60 0.50 . 1 . . . . . . . . 4449 1 49 . 1 1 5 5 VAL CB C 13 31.91 0.50 . 1 . . . . . . . . 4449 1 50 . 1 1 5 5 VAL N N 15 122.15 0.25 . 1 . . . . . . . . 4449 1 51 . 1 1 6 6 VAL H H 1 9.28 0.03 . 1 . . . . . . . . 4449 1 52 . 1 1 6 6 VAL HA H 1 4.61 0.03 . 1 . . . . . . . . 4449 1 53 . 1 1 6 6 VAL HB H 1 1.57 0.03 . 1 . . . . . . . . 4449 1 54 . 1 1 6 6 VAL HG21 H 1 0.84 0.03 . 1 . . . . . . . . 4449 1 55 . 1 1 6 6 VAL HG22 H 1 0.84 0.03 . 1 . . . . . . . . 4449 1 56 . 1 1 6 6 VAL HG23 H 1 0.84 0.03 . 1 . . . . . . . . 4449 1 57 . 1 1 6 6 VAL HG11 H 1 0.73 0.03 . 1 . . . . . . . . 4449 1 58 . 1 1 6 6 VAL HG12 H 1 0.73 0.03 . 1 . . . . . . . . 4449 1 59 . 1 1 6 6 VAL HG13 H 1 0.73 0.03 . 1 . . . . . . . . 4449 1 60 . 1 1 6 6 VAL CA C 13 59.88 0.50 . 1 . . . . . . . . 4449 1 61 . 1 1 6 6 VAL CB C 13 35.49 0.50 . 1 . . . . . . . . 4449 1 62 . 1 1 6 6 VAL N N 15 128.00 0.25 . 1 . . . . . . . . 4449 1 63 . 1 1 7 7 ALA H H 1 8.43 0.03 . 1 . . . . . . . . 4449 1 64 . 1 1 7 7 ALA HA H 1 4.56 0.03 . 1 . . . . . . . . 4449 1 65 . 1 1 7 7 ALA HB1 H 1 1.72 0.03 . 1 . . . . . . . . 4449 1 66 . 1 1 7 7 ALA HB2 H 1 1.72 0.03 . 1 . . . . . . . . 4449 1 67 . 1 1 7 7 ALA HB3 H 1 1.72 0.03 . 1 . . . . . . . . 4449 1 68 . 1 1 7 7 ALA CA C 13 53.16 0.50 . 1 . . . . . . . . 4449 1 69 . 1 1 7 7 ALA CB C 13 19.29 0.50 . 1 . . . . . . . . 4449 1 70 . 1 1 7 7 ALA N N 15 127.76 0.25 . 1 . . . . . . . . 4449 1 71 . 1 1 8 8 ASN H H 1 9.19 0.03 . 1 . . . . . . . . 4449 1 72 . 1 1 8 8 ASN HA H 1 4.78 0.03 . 1 . . . . . . . . 4449 1 73 . 1 1 8 8 ASN HB2 H 1 2.69 0.03 . 1 . . . . . . . . 4449 1 74 . 1 1 8 8 ASN HB3 H 1 2.69 0.03 . 1 . . . . . . . . 4449 1 75 . 1 1 8 8 ASN HD21 H 1 7.00 0.03 . 1 . . . . . . . . 4449 1 76 . 1 1 8 8 ASN HD22 H 1 7.77 0.03 . 1 . . . . . . . . 4449 1 77 . 1 1 8 8 ASN CA C 13 52.21 0.50 . 1 . . . . . . . . 4449 1 78 . 1 1 8 8 ASN CB C 13 40.68 0.50 . 1 . . . . . . . . 4449 1 79 . 1 1 8 8 ASN N N 15 126.11 0.25 . 1 . . . . . . . . 4449 1 80 . 1 1 8 8 ASN ND2 N 15 113.62 0.25 . 1 . . . . . . . . 4449 1 81 . 1 1 9 9 GLN H H 1 7.84 0.03 . 1 . . . . . . . . 4449 1 82 . 1 1 9 9 GLN HA H 1 4.44 0.03 . 1 . . . . . . . . 4449 1 83 . 1 1 9 9 GLN HB2 H 1 1.88 0.03 . 1 . . . . . . . . 4449 1 84 . 1 1 9 9 GLN HB3 H 1 2.02 0.03 . 1 . . . . . . . . 4449 1 85 . 1 1 9 9 GLN HG2 H 1 2.14 0.03 . 1 . . . . . . . . 4449 1 86 . 1 1 9 9 GLN HG3 H 1 2.32 0.03 . 1 . . . . . . . . 4449 1 87 . 1 1 9 9 GLN HE21 H 1 6.94 0.03 . 1 . . . . . . . . 4449 1 88 . 1 1 9 9 GLN HE22 H 1 7.51 0.03 . 1 . . . . . . . . 4449 1 89 . 1 1 9 9 GLN CA C 13 53.35 0.50 . 1 . . . . . . . . 4449 1 90 . 1 1 9 9 GLN CB C 13 32.84 0.50 . 1 . . . . . . . . 4449 1 91 . 1 1 9 9 GLN N N 15 112.30 0.25 . 1 . . . . . . . . 4449 1 92 . 1 1 9 9 GLN NE2 N 15 111.98 0.25 . 1 . . . . . . . . 4449 1 93 . 1 1 10 10 LEU H H 1 8.47 0.03 . 1 . . . . . . . . 4449 1 94 . 1 1 10 10 LEU HA H 1 4.76 0.03 . 1 . . . . . . . . 4449 1 95 . 1 1 10 10 LEU HB2 H 1 1.71 0.03 . 1 . . . . . . . . 4449 1 96 . 1 1 10 10 LEU HB3 H 1 1.71 0.03 . 1 . . . . . . . . 4449 1 97 . 1 1 10 10 LEU HG H 1 1.29 0.03 . 1 . . . . . . . . 4449 1 98 . 1 1 10 10 LEU HD11 H 1 0.80 0.03 . 1 . . . . . . . . 4449 1 99 . 1 1 10 10 LEU HD12 H 1 0.80 0.03 . 1 . . . . . . . . 4449 1 100 . 1 1 10 10 LEU HD13 H 1 0.80 0.03 . 1 . . . . . . . . 4449 1 101 . 1 1 10 10 LEU HD21 H 1 0.84 0.03 . 1 . . . . . . . . 4449 1 102 . 1 1 10 10 LEU HD22 H 1 0.84 0.03 . 1 . . . . . . . . 4449 1 103 . 1 1 10 10 LEU HD23 H 1 0.84 0.03 . 1 . . . . . . . . 4449 1 104 . 1 1 10 10 LEU CA C 13 56.15 0.50 . 1 . . . . . . . . 4449 1 105 . 1 1 10 10 LEU CB C 13 40.51 0.50 . 1 . . . . . . . . 4449 1 106 . 1 1 10 10 LEU N N 15 120.84 0.25 . 1 . . . . . . . . 4449 1 107 . 1 1 11 11 ILE H H 1 9.36 0.03 . 1 . . . . . . . . 4449 1 108 . 1 1 11 11 ILE HA H 1 4.62 0.03 . 1 . . . . . . . . 4449 1 109 . 1 1 11 11 ILE HB H 1 2.03 0.03 . 1 . . . . . . . . 4449 1 110 . 1 1 11 11 ILE HG12 H 1 1.12 0.03 . 1 . . . . . . . . 4449 1 111 . 1 1 11 11 ILE HG13 H 1 1.12 0.03 . 1 . . . . . . . . 4449 1 112 . 1 1 11 11 ILE HG21 H 1 0.94 0.03 . 1 . . . . . . . . 4449 1 113 . 1 1 11 11 ILE HG22 H 1 0.94 0.03 . 1 . . . . . . . . 4449 1 114 . 1 1 11 11 ILE HG23 H 1 0.94 0.03 . 1 . . . . . . . . 4449 1 115 . 1 1 11 11 ILE CA C 13 59.21 0.50 . 1 . . . . . . . . 4449 1 116 . 1 1 11 11 ILE CB C 13 41.17 0.50 . 1 . . . . . . . . 4449 1 117 . 1 1 11 11 ILE N N 15 134.31 0.25 . 1 . . . . . . . . 4449 1 118 . 1 1 12 12 PRO HA H 1 4.48 0.03 . 1 . . . . . . . . 4449 1 119 . 1 1 12 12 PRO HB2 H 1 1.71 0.03 . 1 . . . . . . . . 4449 1 120 . 1 1 12 12 PRO HB3 H 1 2.42 0.03 . 1 . . . . . . . . 4449 1 121 . 1 1 12 12 PRO HG2 H 1 1.79 0.03 . 1 . . . . . . . . 4449 1 122 . 1 1 12 12 PRO HG3 H 1 1.79 0.03 . 1 . . . . . . . . 4449 1 123 . 1 1 12 12 PRO CA C 13 61.89 0.50 . 1 . . . . . . . . 4449 1 124 . 1 1 12 12 PRO CB C 13 32.56 0.50 . 1 . . . . . . . . 4449 1 125 . 1 1 13 13 ILE H H 1 8.46 0.03 . 1 . . . . . . . . 4449 1 126 . 1 1 13 13 ILE HA H 1 3.42 0.03 . 1 . . . . . . . . 4449 1 127 . 1 1 13 13 ILE HB H 1 1.74 0.03 . 1 . . . . . . . . 4449 1 128 . 1 1 13 13 ILE HG21 H 1 0.97 0.03 . 1 . . . . . . . . 4449 1 129 . 1 1 13 13 ILE HG22 H 1 0.97 0.03 . 1 . . . . . . . . 4449 1 130 . 1 1 13 13 ILE HG23 H 1 0.97 0.03 . 1 . . . . . . . . 4449 1 131 . 1 1 13 13 ILE HD11 H 1 0.90 0.03 . 1 . . . . . . . . 4449 1 132 . 1 1 13 13 ILE HD12 H 1 0.90 0.03 . 1 . . . . . . . . 4449 1 133 . 1 1 13 13 ILE HD13 H 1 0.90 0.03 . 1 . . . . . . . . 4449 1 134 . 1 1 13 13 ILE CA C 13 63.65 0.50 . 1 . . . . . . . . 4449 1 135 . 1 1 13 13 ILE CB C 13 38.92 0.50 . 1 . . . . . . . . 4449 1 136 . 1 1 13 13 ILE N N 15 121.52 0.25 . 1 . . . . . . . . 4449 1 137 . 1 1 14 14 ASN H H 1 7.56 0.03 . 1 . . . . . . . . 4449 1 138 . 1 1 14 14 ASN HA H 1 4.57 0.03 . 1 . . . . . . . . 4449 1 139 . 1 1 14 14 ASN HB2 H 1 3.06 0.03 . 1 . . . . . . . . 4449 1 140 . 1 1 14 14 ASN HB3 H 1 3.11 0.03 . 1 . . . . . . . . 4449 1 141 . 1 1 14 14 ASN HD21 H 1 7.18 0.03 . 1 . . . . . . . . 4449 1 142 . 1 1 14 14 ASN HD22 H 1 7.92 0.03 . 1 . . . . . . . . 4449 1 143 . 1 1 14 14 ASN CA C 13 55.45 0.50 . 1 . . . . . . . . 4449 1 144 . 1 1 14 14 ASN CB C 13 37.09 0.50 . 1 . . . . . . . . 4449 1 145 . 1 1 14 14 ASN N N 15 117.63 0.25 . 1 . . . . . . . . 4449 1 146 . 1 1 14 14 ASN ND2 N 15 117.02 0.25 . 1 . . . . . . . . 4449 1 147 . 1 1 15 15 THR H H 1 7.53 0.03 . 1 . . . . . . . . 4449 1 148 . 1 1 15 15 THR HA H 1 4.07 0.03 . 1 . . . . . . . . 4449 1 149 . 1 1 15 15 THR HB H 1 3.94 0.03 . 1 . . . . . . . . 4449 1 150 . 1 1 15 15 THR HG21 H 1 1.22 0.03 . 1 . . . . . . . . 4449 1 151 . 1 1 15 15 THR HG22 H 1 1.22 0.03 . 1 . . . . . . . . 4449 1 152 . 1 1 15 15 THR HG23 H 1 1.22 0.03 . 1 . . . . . . . . 4449 1 153 . 1 1 15 15 THR HG1 H 1 5.46 0.03 . 0 . . . . . . . . 4449 1 154 . 1 1 15 15 THR CA C 13 64.28 0.50 . 1 . . . . . . . . 4449 1 155 . 1 1 15 15 THR CB C 13 69.71 0.50 . 1 . . . . . . . . 4449 1 156 . 1 1 15 15 THR N N 15 117.36 0.25 . 1 . . . . . . . . 4449 1 157 . 1 1 16 16 ALA H H 1 8.62 0.03 . 1 . . . . . . . . 4449 1 158 . 1 1 16 16 ALA HA H 1 4.35 0.03 . 1 . . . . . . . . 4449 1 159 . 1 1 16 16 ALA HB1 H 1 1.28 0.03 . 1 . . . . . . . . 4449 1 160 . 1 1 16 16 ALA HB2 H 1 1.28 0.03 . 1 . . . . . . . . 4449 1 161 . 1 1 16 16 ALA HB3 H 1 1.28 0.03 . 1 . . . . . . . . 4449 1 162 . 1 1 16 16 ALA CA C 13 50.93 0.50 . 1 . . . . . . . . 4449 1 163 . 1 1 16 16 ALA CB C 13 18.53 0.50 . 1 . . . . . . . . 4449 1 164 . 1 1 16 16 ALA N N 15 128.71 0.25 . 1 . . . . . . . . 4449 1 165 . 1 1 17 17 LEU H H 1 9.28 0.03 . 1 . . . . . . . . 4449 1 166 . 1 1 17 17 LEU HA H 1 4.63 0.03 . 1 . . . . . . . . 4449 1 167 . 1 1 17 17 LEU HB2 H 1 2.27 0.03 . 1 . . . . . . . . 4449 1 168 . 1 1 17 17 LEU HB3 H 1 2.27 0.03 . 1 . . . . . . . . 4449 1 169 . 1 1 17 17 LEU HG H 1 1.97 0.03 . 1 . . . . . . . . 4449 1 170 . 1 1 17 17 LEU HD11 H 1 1.07 0.03 . 1 . . . . . . . . 4449 1 171 . 1 1 17 17 LEU HD12 H 1 1.07 0.03 . 1 . . . . . . . . 4449 1 172 . 1 1 17 17 LEU HD13 H 1 1.07 0.03 . 1 . . . . . . . . 4449 1 173 . 1 1 17 17 LEU HD21 H 1 0.94 0.03 . 1 . . . . . . . . 4449 1 174 . 1 1 17 17 LEU HD22 H 1 0.94 0.03 . 1 . . . . . . . . 4449 1 175 . 1 1 17 17 LEU HD23 H 1 0.94 0.03 . 1 . . . . . . . . 4449 1 176 . 1 1 17 17 LEU CA C 13 56.02 0.50 . 1 . . . . . . . . 4449 1 177 . 1 1 17 17 LEU CB C 13 42.82 0.50 . 1 . . . . . . . . 4449 1 178 . 1 1 17 17 LEU N N 15 125.52 0.25 . 1 . . . . . . . . 4449 1 179 . 1 1 18 18 THR H H 1 8.11 0.03 . 1 . . . . . . . . 4449 1 180 . 1 1 18 18 THR HA H 1 4.71 0.03 . 1 . . . . . . . . 4449 1 181 . 1 1 18 18 THR HB H 1 4.57 0.03 . 1 . . . . . . . . 4449 1 182 . 1 1 18 18 THR HG21 H 1 1.30 0.03 . 1 . . . . . . . . 4449 1 183 . 1 1 18 18 THR HG22 H 1 1.30 0.03 . 1 . . . . . . . . 4449 1 184 . 1 1 18 18 THR HG23 H 1 1.30 0.03 . 1 . . . . . . . . 4449 1 185 . 1 1 18 18 THR CA C 13 59.08 0.50 . 1 . . . . . . . . 4449 1 186 . 1 1 18 18 THR CB C 13 71.17 0.50 . 1 . . . . . . . . 4449 1 187 . 1 1 18 18 THR N N 15 114.55 0.25 . 1 . . . . . . . . 4449 1 188 . 1 1 19 19 LEU H H 1 8.93 0.03 . 1 . . . . . . . . 4449 1 189 . 1 1 19 19 LEU HA H 1 3.85 0.03 . 1 . . . . . . . . 4449 1 190 . 1 1 19 19 LEU HB2 H 1 1.58 0.03 . 1 . . . . . . . . 4449 1 191 . 1 1 19 19 LEU HB3 H 1 1.75 0.03 . 1 . . . . . . . . 4449 1 192 . 1 1 19 19 LEU HD11 H 1 0.95 0.03 . 1 . . . . . . . . 4449 1 193 . 1 1 19 19 LEU HD12 H 1 0.95 0.03 . 1 . . . . . . . . 4449 1 194 . 1 1 19 19 LEU HD13 H 1 0.95 0.03 . 1 . . . . . . . . 4449 1 195 . 1 1 19 19 LEU HG H 1 1.74 0.03 . 1 . . . . . . . . 4449 1 196 . 1 1 19 19 LEU HD21 H 1 0.82 0.03 . 1 . . . . . . . . 4449 1 197 . 1 1 19 19 LEU HD22 H 1 0.82 0.03 . 1 . . . . . . . . 4449 1 198 . 1 1 19 19 LEU HD23 H 1 0.82 0.03 . 1 . . . . . . . . 4449 1 199 . 1 1 19 19 LEU CA C 13 58.85 0.50 . 1 . . . . . . . . 4449 1 200 . 1 1 19 19 LEU CB C 13 42.25 0.50 . 1 . . . . . . . . 4449 1 201 . 1 1 19 19 LEU N N 15 121.15 0.25 . 1 . . . . . . . . 4449 1 202 . 1 1 20 20 ILE H H 1 7.74 0.03 . 1 . . . . . . . . 4449 1 203 . 1 1 20 20 ILE HA H 1 4.26 0.03 . 1 . . . . . . . . 4449 1 204 . 1 1 20 20 ILE HB H 1 1.97 0.03 . 1 . . . . . . . . 4449 1 205 . 1 1 20 20 ILE HG12 H 1 1.35 0.03 . 1 . . . . . . . . 4449 1 206 . 1 1 20 20 ILE HG13 H 1 1.40 0.03 . 1 . . . . . . . . 4449 1 207 . 1 1 20 20 ILE HG21 H 1 0.83 0.03 . 1 . . . . . . . . 4449 1 208 . 1 1 20 20 ILE HG22 H 1 0.83 0.03 . 1 . . . . . . . . 4449 1 209 . 1 1 20 20 ILE HG23 H 1 0.83 0.03 . 1 . . . . . . . . 4449 1 210 . 1 1 20 20 ILE HD11 H 1 0.95 0.03 . 1 . . . . . . . . 4449 1 211 . 1 1 20 20 ILE HD12 H 1 0.95 0.03 . 1 . . . . . . . . 4449 1 212 . 1 1 20 20 ILE HD13 H 1 0.95 0.03 . 1 . . . . . . . . 4449 1 213 . 1 1 20 20 ILE CA C 13 61.94 0.50 . 1 . . . . . . . . 4449 1 214 . 1 1 20 20 ILE CB C 13 38.33 0.50 . 1 . . . . . . . . 4449 1 215 . 1 1 20 20 ILE N N 15 113.47 0.25 . 1 . . . . . . . . 4449 1 216 . 1 1 21 21 MET H H 1 7.64 0.03 . 1 . . . . . . . . 4449 1 217 . 1 1 21 21 MET HA H 1 4.03 0.03 . 1 . . . . . . . . 4449 1 218 . 1 1 21 21 MET HB2 H 1 2.90 0.03 . 1 . . . . . . . . 4449 1 219 . 1 1 21 21 MET HB3 H 1 2.47 0.03 . 1 . . . . . . . . 4449 1 220 . 1 1 21 21 MET HG2 H 1 2.23 0.03 . 1 . . . . . . . . 4449 1 221 . 1 1 21 21 MET HG3 H 1 2.23 0.03 . 1 . . . . . . . . 4449 1 222 . 1 1 21 21 MET CA C 13 58.08 0.50 . 1 . . . . . . . . 4449 1 223 . 1 1 21 21 MET CB C 13 33.21 0.50 . 1 . . . . . . . . 4449 1 224 . 1 1 21 21 MET N N 15 118.58 0.25 . 1 . . . . . . . . 4449 1 225 . 1 1 22 22 MET H H 1 7.76 0.03 . 1 . . . . . . . . 4449 1 226 . 1 1 22 22 MET HA H 1 4.88 0.03 . 1 . . . . . . . . 4449 1 227 . 1 1 22 22 MET HB2 H 1 1.76 0.03 . 1 . . . . . . . . 4449 1 228 . 1 1 22 22 MET HB3 H 1 1.96 0.03 . 1 . . . . . . . . 4449 1 229 . 1 1 22 22 MET HG2 H 1 2.31 0.03 . 1 . . . . . . . . 4449 1 230 . 1 1 22 22 MET HG3 H 1 2.31 0.03 . 1 . . . . . . . . 4449 1 231 . 1 1 22 22 MET CA C 13 55.36 0.50 . 1 . . . . . . . . 4449 1 232 . 1 1 22 22 MET CB C 13 38.73 0.50 . 1 . . . . . . . . 4449 1 233 . 1 1 22 22 MET N N 15 118.22 0.25 . 1 . . . . . . . . 4449 1 234 . 1 1 23 23 LYS H H 1 9.13 0.03 . 1 . . . . . . . . 4449 1 235 . 1 1 23 23 LYS HA H 1 4.76 0.03 . 1 . . . . . . . . 4449 1 236 . 1 1 23 23 LYS HB2 H 1 2.03 0.03 . 1 . . . . . . . . 4449 1 237 . 1 1 23 23 LYS HB3 H 1 2.03 0.03 . 1 . . . . . . . . 4449 1 238 . 1 1 23 23 LYS HG2 H 1 1.63 0.03 . 1 . . . . . . . . 4449 1 239 . 1 1 23 23 LYS HG3 H 1 1.73 0.03 . 1 . . . . . . . . 4449 1 240 . 1 1 23 23 LYS HD2 H 1 1.81 0.03 . 1 . . . . . . . . 4449 1 241 . 1 1 23 23 LYS HD3 H 1 1.81 0.03 . 1 . . . . . . . . 4449 1 242 . 1 1 23 23 LYS HE2 H 1 2.90 0.03 . 1 . . . . . . . . 4449 1 243 . 1 1 23 23 LYS HE3 H 1 2.90 0.03 . 1 . . . . . . . . 4449 1 244 . 1 1 23 23 LYS CA C 13 54.30 0.50 . 1 . . . . . . . . 4449 1 245 . 1 1 23 23 LYS CB C 13 35.82 0.50 . 1 . . . . . . . . 4449 1 246 . 1 1 23 23 LYS N N 15 121.14 0.25 . 1 . . . . . . . . 4449 1 247 . 1 1 24 24 ALA H H 1 8.54 0.03 . 1 . . . . . . . . 4449 1 248 . 1 1 24 24 ALA HA H 1 5.22 0.03 . 1 . . . . . . . . 4449 1 249 . 1 1 24 24 ALA HB1 H 1 1.19 0.03 . 1 . . . . . . . . 4449 1 250 . 1 1 24 24 ALA HB2 H 1 1.19 0.03 . 1 . . . . . . . . 4449 1 251 . 1 1 24 24 ALA HB3 H 1 1.19 0.03 . 1 . . . . . . . . 4449 1 252 . 1 1 24 24 ALA CA C 13 50.32 0.50 . 1 . . . . . . . . 4449 1 253 . 1 1 24 24 ALA CB C 13 21.18 0.50 . 1 . . . . . . . . 4449 1 254 . 1 1 24 24 ALA N N 15 124.75 0.25 . 1 . . . . . . . . 4449 1 255 . 1 1 25 25 GLU H H 1 9.04 0.03 . 1 . . . . . . . . 4449 1 256 . 1 1 25 25 GLU HA H 1 4.62 0.03 . 1 . . . . . . . . 4449 1 257 . 1 1 25 25 GLU HB2 H 1 1.77 0.03 . 1 . . . . . . . . 4449 1 258 . 1 1 25 25 GLU HB3 H 1 1.91 0.03 . 1 . . . . . . . . 4449 1 259 . 1 1 25 25 GLU HG2 H 1 2.13 0.03 . 1 . . . . . . . . 4449 1 260 . 1 1 25 25 GLU CA C 13 55.54 0.50 . 1 . . . . . . . . 4449 1 261 . 1 1 25 25 GLU CB C 13 34.90 0.50 . 1 . . . . . . . . 4449 1 262 . 1 1 25 25 GLU N N 15 123.48 0.25 . 1 . . . . . . . . 4449 1 263 . 1 1 26 26 VAL H H 1 9.21 0.03 . 1 . . . . . . . . 4449 1 264 . 1 1 26 26 VAL HA H 1 4.05 0.03 . 1 . . . . . . . . 4449 1 265 . 1 1 26 26 VAL HB H 1 2.10 0.03 . 1 . . . . . . . . 4449 1 266 . 1 1 26 26 VAL HG11 H 1 0.81 0.03 . 1 . . . . . . . . 4449 1 267 . 1 1 26 26 VAL HG12 H 1 0.81 0.03 . 1 . . . . . . . . 4449 1 268 . 1 1 26 26 VAL HG13 H 1 0.81 0.03 . 1 . . . . . . . . 4449 1 269 . 1 1 26 26 VAL HG21 H 1 0.89 0.03 . 1 . . . . . . . . 4449 1 270 . 1 1 26 26 VAL HG22 H 1 0.89 0.03 . 1 . . . . . . . . 4449 1 271 . 1 1 26 26 VAL HG23 H 1 0.89 0.03 . 1 . . . . . . . . 4449 1 272 . 1 1 26 26 VAL CA C 13 64.57 0.50 . 1 . . . . . . . . 4449 1 273 . 1 1 26 26 VAL CB C 13 29.96 0.50 . 1 . . . . . . . . 4449 1 274 . 1 1 26 26 VAL N N 15 127.35 0.25 . 1 . . . . . . . . 4449 1 275 . 1 1 27 27 VAL H H 1 8.59 0.03 . 1 . . . . . . . . 4449 1 276 . 1 1 27 27 VAL HA H 1 4.76 0.03 . 1 . . . . . . . . 4449 1 277 . 1 1 27 27 VAL HB H 1 2.09 0.03 . 1 . . . . . . . . 4449 1 278 . 1 1 27 27 VAL HG11 H 1 0.78 0.03 . 1 . . . . . . . . 4449 1 279 . 1 1 27 27 VAL HG12 H 1 0.78 0.03 . 1 . . . . . . . . 4449 1 280 . 1 1 27 27 VAL HG13 H 1 0.78 0.03 . 1 . . . . . . . . 4449 1 281 . 1 1 27 27 VAL HG21 H 1 0.90 0.03 . 1 . . . . . . . . 4449 1 282 . 1 1 27 27 VAL HG22 H 1 0.90 0.03 . 1 . . . . . . . . 4449 1 283 . 1 1 27 27 VAL HG23 H 1 0.90 0.03 . 1 . . . . . . . . 4449 1 284 . 1 1 27 27 VAL CA C 13 59.55 0.50 . 1 . . . . . . . . 4449 1 285 . 1 1 27 27 VAL CB C 13 36.43 0.50 . 1 . . . . . . . . 4449 1 286 . 1 1 27 27 VAL N N 15 124.67 0.25 . 1 . . . . . . . . 4449 1 287 . 1 1 28 28 THR H H 1 8.44 0.03 . 1 . . . . . . . . 4449 1 288 . 1 1 28 28 THR HA H 1 4.38 0.03 . 1 . . . . . . . . 4449 1 289 . 1 1 28 28 THR HB H 1 3.94 0.03 . 1 . . . . . . . . 4449 1 290 . 1 1 28 28 THR HG21 H 1 1.21 0.03 . 1 . . . . . . . . 4449 1 291 . 1 1 28 28 THR HG22 H 1 1.21 0.03 . 1 . . . . . . . . 4449 1 292 . 1 1 28 28 THR HG23 H 1 1.21 0.03 . 1 . . . . . . . . 4449 1 293 . 1 1 28 28 THR CA C 13 59.14 0.50 . 1 . . . . . . . . 4449 1 294 . 1 1 28 28 THR CB C 13 71.48 0.50 . 1 . . . . . . . . 4449 1 295 . 1 1 28 28 THR N N 15 117.67 0.25 . 1 . . . . . . . . 4449 1 296 . 1 1 29 29 PRO HA H 1 4.77 0.03 . 1 . . . . . . . . 4449 1 297 . 1 1 29 29 PRO HB2 H 1 2.13 0.03 . 1 . . . . . . . . 4449 1 298 . 1 1 29 29 PRO HB3 H 1 2.50 0.03 . 1 . . . . . . . . 4449 1 299 . 1 1 29 29 PRO HG2 H 1 1.80 0.03 . 1 . . . . . . . . 4449 1 300 . 1 1 29 29 PRO HG3 H 1 1.99 0.03 . 1 . . . . . . . . 4449 1 301 . 1 1 29 29 PRO HD2 H 1 3.52 0.03 . 1 . . . . . . . . 4449 1 302 . 1 1 29 29 PRO HD3 H 1 3.67 0.03 . 1 . . . . . . . . 4449 1 303 . 1 1 29 29 PRO CA C 13 62.68 0.50 . 1 . . . . . . . . 4449 1 304 . 1 1 29 29 PRO CB C 13 34.92 0.50 . 1 . . . . . . . . 4449 1 305 . 1 1 30 30 MET H H 1 8.65 0.03 . 1 . . . . . . . . 4449 1 306 . 1 1 30 30 MET HA H 1 4.11 0.03 . 1 . . . . . . . . 4449 1 307 . 1 1 30 30 MET HB2 H 1 2.01 0.03 . 1 . . . . . . . . 4449 1 308 . 1 1 30 30 MET HB3 H 1 2.18 0.03 . 1 . . . . . . . . 4449 1 309 . 1 1 30 30 MET HG2 H 1 2.84 0.03 . 1 . . . . . . . . 4449 1 310 . 1 1 30 30 MET HG3 H 1 2.84 0.03 . 1 . . . . . . . . 4449 1 311 . 1 1 30 30 MET HE1 H 1 1.17 0.03 . 1 . . . . . . . . 4449 1 312 . 1 1 30 30 MET HE2 H 1 1.17 0.03 . 1 . . . . . . . . 4449 1 313 . 1 1 30 30 MET HE3 H 1 1.17 0.03 . 1 . . . . . . . . 4449 1 314 . 1 1 30 30 MET CA C 13 56.53 0.50 . 1 . . . . . . . . 4449 1 315 . 1 1 30 30 MET CB C 13 33.34 0.50 . 1 . . . . . . . . 4449 1 316 . 1 1 30 30 MET N N 15 120.34 0.25 . 1 . . . . . . . . 4449 1 317 . 1 1 31 31 GLY H H 1 8.48 0.03 . 1 . . . . . . . . 4449 1 318 . 1 1 31 31 GLY HA2 H 1 3.50 0.03 . 1 . . . . . . . . 4449 1 319 . 1 1 31 31 GLY HA3 H 1 5.03 0.03 . 1 . . . . . . . . 4449 1 320 . 1 1 31 31 GLY CA C 13 45.02 0.50 . 1 . . . . . . . . 4449 1 321 . 1 1 31 31 GLY N N 15 112.73 0.25 . 1 . . . . . . . . 4449 1 322 . 1 1 32 32 ILE H H 1 8.68 0.03 . 1 . . . . . . . . 4449 1 323 . 1 1 32 32 ILE HA H 1 4.05 0.03 . 1 . . . . . . . . 4449 1 324 . 1 1 32 32 ILE HB H 1 1.31 0.03 . 1 . . . . . . . . 4449 1 325 . 1 1 32 32 ILE HG12 H 1 1.16 0.03 . 1 . . . . . . . . 4449 1 326 . 1 1 32 32 ILE HG13 H 1 1.04 0.03 . 1 . . . . . . . . 4449 1 327 . 1 1 32 32 ILE HD11 H 1 0.17 0.03 . 1 . . . . . . . . 4449 1 328 . 1 1 32 32 ILE HD12 H 1 0.17 0.03 . 1 . . . . . . . . 4449 1 329 . 1 1 32 32 ILE HD13 H 1 0.17 0.03 . 1 . . . . . . . . 4449 1 330 . 1 1 32 32 ILE HG21 H 1 0.57 0.03 . 1 . . . . . . . . 4449 1 331 . 1 1 32 32 ILE HG22 H 1 0.57 0.03 . 1 . . . . . . . . 4449 1 332 . 1 1 32 32 ILE HG23 H 1 0.57 0.03 . 1 . . . . . . . . 4449 1 333 . 1 1 32 32 ILE CA C 13 61.29 0.50 . 1 . . . . . . . . 4449 1 334 . 1 1 32 32 ILE N N 15 127.40 0.25 . 1 . . . . . . . . 4449 1 335 . 1 1 33 33 PRO HA H 1 4.60 0.03 . 1 . . . . . . . . 4449 1 336 . 1 1 33 33 PRO HB2 H 1 2.06 0.03 . 1 . . . . . . . . 4449 1 337 . 1 1 33 33 PRO HB3 H 1 2.59 0.03 . 1 . . . . . . . . 4449 1 338 . 1 1 33 33 PRO CA C 13 63.42 0.50 . 1 . . . . . . . . 4449 1 339 . 1 1 33 33 PRO CB C 13 32.89 0.50 . 1 . . . . . . . . 4449 1 340 . 1 1 34 34 ALA H H 1 8.51 0.03 . 1 . . . . . . . . 4449 1 341 . 1 1 34 34 ALA HA H 1 3.90 0.03 . 1 . . . . . . . . 4449 1 342 . 1 1 34 34 ALA HB1 H 1 1.25 0.03 . 1 . . . . . . . . 4449 1 343 . 1 1 34 34 ALA HB2 H 1 1.25 0.03 . 1 . . . . . . . . 4449 1 344 . 1 1 34 34 ALA HB3 H 1 1.25 0.03 . 1 . . . . . . . . 4449 1 345 . 1 1 34 34 ALA CA C 13 54.65 0.50 . 1 . . . . . . . . 4449 1 346 . 1 1 34 34 ALA CB C 13 18.97 0.50 . 1 . . . . . . . . 4449 1 347 . 1 1 34 34 ALA N N 15 125.05 0.25 . 1 . . . . . . . . 4449 1 348 . 1 1 35 35 GLU H H 1 9.54 0.03 . 1 . . . . . . . . 4449 1 349 . 1 1 35 35 GLU HA H 1 4.08 0.03 . 1 . . . . . . . . 4449 1 350 . 1 1 35 35 GLU HB2 H 1 2.10 0.03 . 1 . . . . . . . . 4449 1 351 . 1 1 35 35 GLU HB3 H 1 2.10 0.03 . 1 . . . . . . . . 4449 1 352 . 1 1 35 35 GLU HG2 H 1 2.37 0.03 . 1 . . . . . . . . 4449 1 353 . 1 1 35 35 GLU HG3 H 1 2.41 0.03 . 1 . . . . . . . . 4449 1 354 . 1 1 35 35 GLU CA C 13 59.33 0.50 . 1 . . . . . . . . 4449 1 355 . 1 1 35 35 GLU CB C 13 28.75 0.50 . 1 . . . . . . . . 4449 1 356 . 1 1 35 35 GLU N N 15 119.78 0.25 . 1 . . . . . . . . 4449 1 357 . 1 1 36 36 GLU H H 1 8.23 0.03 . 1 . . . . . . . . 4449 1 358 . 1 1 36 36 GLU HA H 1 4.39 0.03 . 1 . . . . . . . . 4449 1 359 . 1 1 36 36 GLU HB2 H 1 2.05 0.03 . 1 . . . . . . . . 4449 1 360 . 1 1 36 36 GLU HB3 H 1 2.05 0.03 . 1 . . . . . . . . 4449 1 361 . 1 1 36 36 GLU HG2 H 1 2.44 0.03 . 1 . . . . . . . . 4449 1 362 . 1 1 36 36 GLU HG3 H 1 2.25 0.03 . 1 . . . . . . . . 4449 1 363 . 1 1 36 36 GLU CA C 13 56.31 0.50 . 1 . . . . . . . . 4449 1 364 . 1 1 36 36 GLU CB C 13 29.52 0.50 . 1 . . . . . . . . 4449 1 365 . 1 1 36 36 GLU N N 15 116.63 0.25 . 1 . . . . . . . . 4449 1 366 . 1 1 37 37 ILE H H 1 7.60 0.03 . 1 . . . . . . . . 4449 1 367 . 1 1 37 37 ILE HA H 1 3.71 0.03 . 1 . . . . . . . . 4449 1 368 . 1 1 37 37 ILE HB H 1 1.92 0.03 . 1 . . . . . . . . 4449 1 369 . 1 1 37 37 ILE HG12 H 1 1.26 0.03 . 1 . . . . . . . . 4449 1 370 . 1 1 37 37 ILE HG13 H 1 1.26 0.03 . 1 . . . . . . . . 4449 1 371 . 1 1 37 37 ILE HG21 H 1 0.84 0.03 . 1 . . . . . . . . 4449 1 372 . 1 1 37 37 ILE HG22 H 1 0.84 0.03 . 1 . . . . . . . . 4449 1 373 . 1 1 37 37 ILE HG23 H 1 0.84 0.03 . 1 . . . . . . . . 4449 1 374 . 1 1 37 37 ILE HD11 H 1 0.87 0.03 . 1 . . . . . . . . 4449 1 375 . 1 1 37 37 ILE HD12 H 1 0.87 0.03 . 1 . . . . . . . . 4449 1 376 . 1 1 37 37 ILE HD13 H 1 0.87 0.03 . 1 . . . . . . . . 4449 1 377 . 1 1 37 37 ILE CA C 13 69.14 0.50 . 1 . . . . . . . . 4449 1 378 . 1 1 37 37 ILE CB C 13 36.56 0.50 . 1 . . . . . . . . 4449 1 379 . 1 1 37 37 ILE N N 15 120.69 0.25 . 1 . . . . . . . . 4449 1 380 . 1 1 38 38 PRO HA H 1 4.22 0.03 . 1 . . . . . . . . 4449 1 381 . 1 1 38 38 PRO HB2 H 1 1.80 0.03 . 1 . . . . . . . . 4449 1 382 . 1 1 38 38 PRO HB3 H 1 2.35 0.03 . 1 . . . . . . . . 4449 1 383 . 1 1 38 38 PRO HG2 H 1 2.01 0.03 . 1 . . . . . . . . 4449 1 384 . 1 1 38 38 PRO HG3 H 1 2.01 0.03 . 1 . . . . . . . . 4449 1 385 . 1 1 38 38 PRO HD2 H 1 3.70 0.03 . 1 . . . . . . . . 4449 1 386 . 1 1 38 38 PRO HD3 H 1 3.52 0.03 . 1 . . . . . . . . 4449 1 387 . 1 1 38 38 PRO CA C 13 65.80 0.50 . 1 . . . . . . . . 4449 1 388 . 1 1 38 38 PRO CB C 13 30.89 0.50 . 1 . . . . . . . . 4449 1 389 . 1 1 39 39 ASN H H 1 7.60 0.03 . 1 . . . . . . . . 4449 1 390 . 1 1 39 39 ASN HA H 1 4.65 0.03 . 1 . . . . . . . . 4449 1 391 . 1 1 39 39 ASN HB2 H 1 3.03 0.03 . 1 . . . . . . . . 4449 1 392 . 1 1 39 39 ASN HB3 H 1 3.03 0.03 . 1 . . . . . . . . 4449 1 393 . 1 1 39 39 ASN HD21 H 1 7.03 0.03 . 1 . . . . . . . . 4449 1 394 . 1 1 39 39 ASN HD22 H 1 8.12 0.03 . 1 . . . . . . . . 4449 1 395 . 1 1 39 39 ASN CA C 13 54.11 0.50 . 1 . . . . . . . . 4449 1 396 . 1 1 39 39 ASN CB C 13 38.48 0.50 . 1 . . . . . . . . 4449 1 397 . 1 1 39 39 ASN N N 15 114.93 0.25 . 1 . . . . . . . . 4449 1 398 . 1 1 39 39 ASN ND2 N 15 114.85 0.25 . 1 . . . . . . . . 4449 1 399 . 1 1 40 40 LEU H H 1 7.84 0.03 . 1 . . . . . . . . 4449 1 400 . 1 1 40 40 LEU HA H 1 4.26 0.03 . 1 . . . . . . . . 4449 1 401 . 1 1 40 40 LEU HB2 H 1 1.76 0.03 . 1 . . . . . . . . 4449 1 402 . 1 1 40 40 LEU HB3 H 1 1.76 0.03 . 1 . . . . . . . . 4449 1 403 . 1 1 40 40 LEU HG H 1 1.44 0.03 . 1 . . . . . . . . 4449 1 404 . 1 1 40 40 LEU HD11 H 1 0.84 0.03 . 1 . . . . . . . . 4449 1 405 . 1 1 40 40 LEU HD12 H 1 0.84 0.03 . 1 . . . . . . . . 4449 1 406 . 1 1 40 40 LEU HD13 H 1 0.84 0.03 . 1 . . . . . . . . 4449 1 407 . 1 1 40 40 LEU HD21 H 1 0.81 0.03 . 1 . . . . . . . . 4449 1 408 . 1 1 40 40 LEU HD22 H 1 0.81 0.03 . 1 . . . . . . . . 4449 1 409 . 1 1 40 40 LEU HD23 H 1 0.81 0.03 . 1 . . . . . . . . 4449 1 410 . 1 1 40 40 LEU CA C 13 55.37 0.50 . 1 . . . . . . . . 4449 1 411 . 1 1 40 40 LEU CB C 13 43.08 0.50 . 1 . . . . . . . . 4449 1 412 . 1 1 40 40 LEU N N 15 120.50 0.25 . 1 . . . . . . . . 4449 1 413 . 1 1 41 41 VAL H H 1 6.72 0.03 . 1 . . . . . . . . 4449 1 414 . 1 1 41 41 VAL HA H 1 3.27 0.03 . 1 . . . . . . . . 4449 1 415 . 1 1 41 41 VAL HB H 1 1.98 0.03 . 1 . . . . . . . . 4449 1 416 . 1 1 41 41 VAL HG11 H 1 1.01 0.03 . 1 . . . . . . . . 4449 1 417 . 1 1 41 41 VAL HG12 H 1 1.01 0.03 . 1 . . . . . . . . 4449 1 418 . 1 1 41 41 VAL HG13 H 1 1.01 0.03 . 1 . . . . . . . . 4449 1 419 . 1 1 41 41 VAL HG21 H 1 1.02 0.03 . 1 . . . . . . . . 4449 1 420 . 1 1 41 41 VAL HG22 H 1 1.02 0.03 . 1 . . . . . . . . 4449 1 421 . 1 1 41 41 VAL HG23 H 1 1.02 0.03 . 1 . . . . . . . . 4449 1 422 . 1 1 41 41 VAL CA C 13 65.28 0.50 . 1 . . . . . . . . 4449 1 423 . 1 1 41 41 VAL CB C 13 31.37 0.50 . 1 . . . . . . . . 4449 1 424 . 1 1 41 41 VAL N N 15 117.74 0.25 . 1 . . . . . . . . 4449 1 425 . 1 1 42 42 GLY H H 1 9.45 0.03 . 1 . . . . . . . . 4449 1 426 . 1 1 42 42 GLY HA2 H 1 3.62 0.03 . 1 . . . . . . . . 4449 1 427 . 1 1 42 42 GLY HA3 H 1 4.51 0.03 . 1 . . . . . . . . 4449 1 428 . 1 1 42 42 GLY CA C 13 45.16 0.50 . 1 . . . . . . . . 4449 1 429 . 1 1 42 42 GLY N N 15 117.44 0.25 . 1 . . . . . . . . 4449 1 430 . 1 1 43 43 MET H H 1 8.58 0.03 . 1 . . . . . . . . 4449 1 431 . 1 1 43 43 MET HA H 1 4.51 0.03 . 1 . . . . . . . . 4449 1 432 . 1 1 43 43 MET HB2 H 1 2.25 0.03 . 1 . . . . . . . . 4449 1 433 . 1 1 43 43 MET HB3 H 1 2.25 0.03 . 1 . . . . . . . . 4449 1 434 . 1 1 43 43 MET HG2 H 1 2.43 0.03 . 1 . . . . . . . . 4449 1 435 . 1 1 43 43 MET HG3 H 1 2.70 0.03 . 1 . . . . . . . . 4449 1 436 . 1 1 43 43 MET HE1 H 1 0.98 0.03 . 1 . . . . . . . . 4449 1 437 . 1 1 43 43 MET HE2 H 1 0.98 0.03 . 1 . . . . . . . . 4449 1 438 . 1 1 43 43 MET HE3 H 1 0.98 0.03 . 1 . . . . . . . . 4449 1 439 . 1 1 43 43 MET CA C 13 56.59 0.50 . 1 . . . . . . . . 4449 1 440 . 1 1 43 43 MET CB C 13 32.97 0.50 . 1 . . . . . . . . 4449 1 441 . 1 1 43 43 MET N N 15 122.12 0.25 . 1 . . . . . . . . 4449 1 442 . 1 1 44 44 GLN H H 1 8.97 0.03 . 1 . . . . . . . . 4449 1 443 . 1 1 44 44 GLN HA H 1 5.32 0.03 . 1 . . . . . . . . 4449 1 444 . 1 1 44 44 GLN HB2 H 1 1.77 0.03 . 1 . . . . . . . . 4449 1 445 . 1 1 44 44 GLN HB3 H 1 1.77 0.03 . 1 . . . . . . . . 4449 1 446 . 1 1 44 44 GLN HG2 H 1 2.28 0.03 . 1 . . . . . . . . 4449 1 447 . 1 1 44 44 GLN HG3 H 1 2.10 0.03 . 1 . . . . . . . . 4449 1 448 . 1 1 44 44 GLN HE21 H 1 6.92 0.03 . 1 . . . . . . . . 4449 1 449 . 1 1 44 44 GLN HE22 H 1 7.61 0.03 . 1 . . . . . . . . 4449 1 450 . 1 1 44 44 GLN CA C 13 54.34 0.50 . 1 . . . . . . . . 4449 1 451 . 1 1 44 44 GLN CB C 13 32.40 0.50 . 1 . . . . . . . . 4449 1 452 . 1 1 44 44 GLN N N 15 118.95 0.25 . 1 . . . . . . . . 4449 1 453 . 1 1 44 44 GLN NE2 N 15 112.22 0.25 . 1 . . . . . . . . 4449 1 454 . 1 1 45 45 VAL H H 1 7.64 0.03 . 1 . . . . . . . . 4449 1 455 . 1 1 45 45 VAL HA H 1 5.38 0.03 . 1 . . . . . . . . 4449 1 456 . 1 1 45 45 VAL HB H 1 2.53 0.03 . 1 . . . . . . . . 4449 1 457 . 1 1 45 45 VAL HG11 H 1 1.02 0.03 . 1 . . . . . . . . 4449 1 458 . 1 1 45 45 VAL HG12 H 1 1.02 0.03 . 1 . . . . . . . . 4449 1 459 . 1 1 45 45 VAL HG13 H 1 1.02 0.03 . 1 . . . . . . . . 4449 1 460 . 1 1 45 45 VAL HG21 H 1 1.12 0.03 . 1 . . . . . . . . 4449 1 461 . 1 1 45 45 VAL HG22 H 1 1.12 0.03 . 1 . . . . . . . . 4449 1 462 . 1 1 45 45 VAL HG23 H 1 1.12 0.03 . 1 . . . . . . . . 4449 1 463 . 1 1 45 45 VAL CA C 13 59.83 0.50 . 1 . . . . . . . . 4449 1 464 . 1 1 45 45 VAL CB C 13 33.60 0.50 . 1 . . . . . . . . 4449 1 465 . 1 1 45 45 VAL N N 15 111.58 0.25 . 1 . . . . . . . . 4449 1 466 . 1 1 46 46 ASN H H 1 8.64 0.03 . 1 . . . . . . . . 4449 1 467 . 1 1 46 46 ASN HA H 1 4.70 0.03 . 1 . . . . . . . . 4449 1 468 . 1 1 46 46 ASN HB2 H 1 2.44 0.03 . 1 . . . . . . . . 4449 1 469 . 1 1 46 46 ASN HB3 H 1 3.27 0.03 . 1 . . . . . . . . 4449 1 470 . 1 1 46 46 ASN HD21 H 1 7.34 0.03 . 1 . . . . . . . . 4449 1 471 . 1 1 46 46 ASN HD22 H 1 7.40 0.03 . 1 . . . . . . . . 4449 1 472 . 1 1 46 46 ASN CA C 13 52.03 0.50 . 1 . . . . . . . . 4449 1 473 . 1 1 46 46 ASN CB C 13 39.36 0.50 . 1 . . . . . . . . 4449 1 474 . 1 1 46 46 ASN N N 15 119.03 0.25 . 1 . . . . . . . . 4449 1 475 . 1 1 46 46 ASN ND2 N 15 112.44 0.25 . 1 . . . . . . . . 4449 1 476 . 1 1 47 47 ARG H H 1 7.89 0.03 . 1 . . . . . . . . 4449 1 477 . 1 1 47 47 ARG HA H 1 4.42 0.03 . 1 . . . . . . . . 4449 1 478 . 1 1 47 47 ARG HB2 H 1 1.87 0.03 . 1 . . . . . . . . 4449 1 479 . 1 1 47 47 ARG HB3 H 1 2.11 0.03 . 1 . . . . . . . . 4449 1 480 . 1 1 47 47 ARG HG2 H 1 1.45 0.03 . 1 . . . . . . . . 4449 1 481 . 1 1 47 47 ARG HG3 H 1 1.61 0.03 . 1 . . . . . . . . 4449 1 482 . 1 1 47 47 ARG HD2 H 1 3.22 0.03 . 1 . . . . . . . . 4449 1 483 . 1 1 47 47 ARG HD3 H 1 3.22 0.03 . 1 . . . . . . . . 4449 1 484 . 1 1 47 47 ARG HE H 1 7.22 0.03 . 0 . . . . . . . . 4449 1 485 . 1 1 47 47 ARG CA C 13 53.58 0.50 . 1 . . . . . . . . 4449 1 486 . 1 1 47 47 ARG CB C 13 31.89 0.50 . 1 . . . . . . . . 4449 1 487 . 1 1 47 47 ARG N N 15 115.56 0.25 . 1 . . . . . . . . 4449 1 488 . 1 1 47 47 ARG NE N 15 114.62 0.25 . 1 . . . . . . . . 4449 1 489 . 1 1 48 48 ALA H H 1 8.59 0.03 . 1 . . . . . . . . 4449 1 490 . 1 1 48 48 ALA HA H 1 4.77 0.03 . 1 . . . . . . . . 4449 1 491 . 1 1 48 48 ALA HB1 H 1 1.34 0.03 . 1 . . . . . . . . 4449 1 492 . 1 1 48 48 ALA HB2 H 1 1.34 0.03 . 1 . . . . . . . . 4449 1 493 . 1 1 48 48 ALA HB3 H 1 1.34 0.03 . 1 . . . . . . . . 4449 1 494 . 1 1 48 48 ALA CA C 13 52.12 0.50 . 1 . . . . . . . . 4449 1 495 . 1 1 48 48 ALA CB C 13 18.12 0.50 . 1 . . . . . . . . 4449 1 496 . 1 1 48 48 ALA N N 15 121.11 0.25 . 1 . . . . . . . . 4449 1 497 . 1 1 49 49 VAL H H 1 9.34 0.03 . 1 . . . . . . . . 4449 1 498 . 1 1 49 49 VAL HA H 1 4.50 0.03 . 1 . . . . . . . . 4449 1 499 . 1 1 49 49 VAL HB H 1 2.28 0.03 . 1 . . . . . . . . 4449 1 500 . 1 1 49 49 VAL HG11 H 1 0.93 0.03 . 1 . . . . . . . . 4449 1 501 . 1 1 49 49 VAL HG12 H 1 0.93 0.03 . 1 . . . . . . . . 4449 1 502 . 1 1 49 49 VAL HG13 H 1 0.93 0.03 . 1 . . . . . . . . 4449 1 503 . 1 1 49 49 VAL HG21 H 1 1.06 0.03 . 1 . . . . . . . . 4449 1 504 . 1 1 49 49 VAL HG22 H 1 1.06 0.03 . 1 . . . . . . . . 4449 1 505 . 1 1 49 49 VAL HG23 H 1 1.06 0.03 . 1 . . . . . . . . 4449 1 506 . 1 1 49 49 VAL CA C 13 59.63 0.50 . 1 . . . . . . . . 4449 1 507 . 1 1 49 49 VAL CB C 13 33.94 0.50 . 1 . . . . . . . . 4449 1 508 . 1 1 49 49 VAL N N 15 125.74 0.25 . 1 . . . . . . . . 4449 1 509 . 1 1 50 50 PRO HA H 1 4.33 0.03 . 1 . . . . . . . . 4449 1 510 . 1 1 50 50 PRO HB2 H 1 1.69 0.03 . 1 . . . . . . . . 4449 1 511 . 1 1 50 50 PRO HB3 H 1 1.69 0.03 . 1 . . . . . . . . 4449 1 512 . 1 1 50 50 PRO HG2 H 1 2.36 0.03 . 1 . . . . . . . . 4449 1 513 . 1 1 50 50 PRO HG3 H 1 2.36 0.03 . 1 . . . . . . . . 4449 1 514 . 1 1 50 50 PRO CA C 13 62.50 0.50 . 1 . . . . . . . . 4449 1 515 . 1 1 50 50 PRO CB C 13 32.56 0.50 . 1 . . . . . . . . 4449 1 516 . 1 1 51 51 LEU H H 1 8.31 0.03 . 1 . . . . . . . . 4449 1 517 . 1 1 51 51 LEU HA H 1 3.42 0.03 . 1 . . . . . . . . 4449 1 518 . 1 1 51 51 LEU HB2 H 1 1.60 0.03 . 1 . . . . . . . . 4449 1 519 . 1 1 51 51 LEU HB3 H 1 1.60 0.03 . 1 . . . . . . . . 4449 1 520 . 1 1 51 51 LEU HG H 1 1.33 0.03 . 1 . . . . . . . . 4449 1 521 . 1 1 51 51 LEU HD11 H 1 0.72 0.03 . 1 . . . . . . . . 4449 1 522 . 1 1 51 51 LEU HD12 H 1 0.72 0.03 . 1 . . . . . . . . 4449 1 523 . 1 1 51 51 LEU HD13 H 1 0.72 0.03 . 1 . . . . . . . . 4449 1 524 . 1 1 51 51 LEU HD21 H 1 0.83 0.03 . 1 . . . . . . . . 4449 1 525 . 1 1 51 51 LEU HD22 H 1 0.83 0.03 . 1 . . . . . . . . 4449 1 526 . 1 1 51 51 LEU HD23 H 1 0.83 0.03 . 1 . . . . . . . . 4449 1 527 . 1 1 51 51 LEU CA C 13 57.92 0.50 . 1 . . . . . . . . 4449 1 528 . 1 1 51 51 LEU CB C 13 42.74 0.50 . 1 . . . . . . . . 4449 1 529 . 1 1 51 51 LEU N N 15 125.05 0.25 . 1 . . . . . . . . 4449 1 530 . 1 1 52 52 GLY H H 1 8.86 0.03 . 1 . . . . . . . . 4449 1 531 . 1 1 52 52 GLY HA2 H 1 3.61 0.03 . 1 . . . . . . . . 4449 1 532 . 1 1 52 52 GLY HA3 H 1 4.26 0.03 . 1 . . . . . . . . 4449 1 533 . 1 1 52 52 GLY CA C 13 45.38 0.50 . 1 . . . . . . . . 4449 1 534 . 1 1 52 52 GLY N N 15 115.65 0.25 . 1 . . . . . . . . 4449 1 535 . 1 1 53 53 THR H H 1 7.87 0.03 . 1 . . . . . . . . 4449 1 536 . 1 1 53 53 THR HA H 1 4.27 0.03 . 1 . . . . . . . . 4449 1 537 . 1 1 53 53 THR HB H 1 4.13 0.03 . 1 . . . . . . . . 4449 1 538 . 1 1 53 53 THR HG1 H 1 5.85 0.03 . 0 . . . . . . . . 4449 1 539 . 1 1 53 53 THR HG21 H 1 1.31 0.03 . 1 . . . . . . . . 4449 1 540 . 1 1 53 53 THR HG22 H 1 1.31 0.03 . 1 . . . . . . . . 4449 1 541 . 1 1 53 53 THR HG23 H 1 1.31 0.03 . 1 . . . . . . . . 4449 1 542 . 1 1 53 53 THR CA C 13 63.34 0.50 . 1 . . . . . . . . 4449 1 543 . 1 1 53 53 THR CB C 13 69.46 0.50 . 1 . . . . . . . . 4449 1 544 . 1 1 53 53 THR N N 15 119.58 0.25 . 1 . . . . . . . . 4449 1 545 . 1 1 54 54 THR H H 1 8.93 0.03 . 1 . . . . . . . . 4449 1 546 . 1 1 54 54 THR HA H 1 4.30 0.03 . 1 . . . . . . . . 4449 1 547 . 1 1 54 54 THR HB H 1 4.00 0.03 . 1 . . . . . . . . 4449 1 548 . 1 1 54 54 THR HG1 H 1 6.15 0.03 . 0 . . . . . . . . 4449 1 549 . 1 1 54 54 THR HG21 H 1 1.17 0.03 . 1 . . . . . . . . 4449 1 550 . 1 1 54 54 THR HG22 H 1 1.17 0.03 . 1 . . . . . . . . 4449 1 551 . 1 1 54 54 THR HG23 H 1 1.17 0.03 . 1 . . . . . . . . 4449 1 552 . 1 1 54 54 THR CA C 13 63.45 0.50 . 1 . . . . . . . . 4449 1 553 . 1 1 54 54 THR CB C 13 68.94 0.50 . 1 . . . . . . . . 4449 1 554 . 1 1 54 54 THR N N 15 125.48 0.25 . 1 . . . . . . . . 4449 1 555 . 1 1 55 55 LEU H H 1 9.16 0.03 . 1 . . . . . . . . 4449 1 556 . 1 1 55 55 LEU HA H 1 4.41 0.03 . 1 . . . . . . . . 4449 1 557 . 1 1 55 55 LEU HB2 H 1 1.57 0.03 . 1 . . . . . . . . 4449 1 558 . 1 1 55 55 LEU HB3 H 1 1.13 0.03 . 1 . . . . . . . . 4449 1 559 . 1 1 55 55 LEU HG H 1 1.41 0.03 . 1 . . . . . . . . 4449 1 560 . 1 1 55 55 LEU HD11 H 1 0.82 0.03 . 1 . . . . . . . . 4449 1 561 . 1 1 55 55 LEU HD12 H 1 0.82 0.03 . 1 . . . . . . . . 4449 1 562 . 1 1 55 55 LEU HD13 H 1 0.82 0.03 . 1 . . . . . . . . 4449 1 563 . 1 1 55 55 LEU HD21 H 1 0.68 0.03 . 1 . . . . . . . . 4449 1 564 . 1 1 55 55 LEU HD22 H 1 0.68 0.03 . 1 . . . . . . . . 4449 1 565 . 1 1 55 55 LEU HD23 H 1 0.68 0.03 . 1 . . . . . . . . 4449 1 566 . 1 1 55 55 LEU CA C 13 55.42 0.50 . 1 . . . . . . . . 4449 1 567 . 1 1 55 55 LEU CB C 13 42.29 0.50 . 1 . . . . . . . . 4449 1 568 . 1 1 55 55 LEU N N 15 131.93 0.25 . 1 . . . . . . . . 4449 1 569 . 1 1 56 56 MET H H 1 7.91 0.03 . 1 . . . . . . . . 4449 1 570 . 1 1 56 56 MET HA H 1 5.12 0.03 . 1 . . . . . . . . 4449 1 571 . 1 1 56 56 MET HB2 H 1 1.89 0.03 . 1 . . . . . . . . 4449 1 572 . 1 1 56 56 MET HB3 H 1 2.26 0.03 . 1 . . . . . . . . 4449 1 573 . 1 1 56 56 MET HG2 H 1 2.63 0.03 . 1 . . . . . . . . 4449 1 574 . 1 1 56 56 MET HG3 H 1 2.94 0.03 . 1 . . . . . . . . 4449 1 575 . 1 1 56 56 MET HE1 H 1 2.17 0.03 . 1 . . . . . . . . 4449 1 576 . 1 1 56 56 MET HE2 H 1 2.17 0.03 . 1 . . . . . . . . 4449 1 577 . 1 1 56 56 MET HE3 H 1 2.17 0.03 . 1 . . . . . . . . 4449 1 578 . 1 1 56 56 MET CA C 13 51.26 0.50 . 1 . . . . . . . . 4449 1 579 . 1 1 56 56 MET CB C 13 32.23 0.50 . 1 . . . . . . . . 4449 1 580 . 1 1 56 56 MET N N 15 126.60 0.25 . 1 . . . . . . . . 4449 1 581 . 1 1 57 57 PRO HA H 1 3.70 0.03 . 1 . . . . . . . . 4449 1 582 . 1 1 57 57 PRO HB2 H 1 2.09 0.03 . 1 . . . . . . . . 4449 1 583 . 1 1 57 57 PRO HB3 H 1 2.09 0.03 . 1 . . . . . . . . 4449 1 584 . 1 1 57 57 PRO HG2 H 1 2.46 0.03 . 1 . . . . . . . . 4449 1 585 . 1 1 57 57 PRO HG3 H 1 2.46 0.03 . 1 . . . . . . . . 4449 1 586 . 1 1 57 57 PRO CA C 13 66.05 0.50 . 1 . . . . . . . . 4449 1 587 . 1 1 58 58 ASP H H 1 7.96 0.03 . 1 . . . . . . . . 4449 1 588 . 1 1 58 58 ASP HA H 1 4.50 0.03 . 1 . . . . . . . . 4449 1 589 . 1 1 58 58 ASP HB2 H 1 2.93 0.03 . 1 . . . . . . . . 4449 1 590 . 1 1 58 58 ASP HB3 H 1 2.66 0.03 . 1 . . . . . . . . 4449 1 591 . 1 1 58 58 ASP CA C 13 54.64 0.50 . 1 . . . . . . . . 4449 1 592 . 1 1 58 58 ASP CB C 13 39.83 0.50 . 1 . . . . . . . . 4449 1 593 . 1 1 58 58 ASP N N 15 110.85 0.25 . 1 . . . . . . . . 4449 1 594 . 1 1 59 59 MET H H 1 8.16 0.03 . 1 . . . . . . . . 4449 1 595 . 1 1 59 59 MET HA H 1 4.58 0.03 . 1 . . . . . . . . 4449 1 596 . 1 1 59 59 MET HB2 H 1 2.13 0.03 . 1 . . . . . . . . 4449 1 597 . 1 1 59 59 MET HB3 H 1 2.21 0.03 . 1 . . . . . . . . 4449 1 598 . 1 1 59 59 MET HG2 H 1 2.33 0.03 . 1 . . . . . . . . 4449 1 599 . 1 1 59 59 MET HG3 H 1 2.71 0.03 . 1 . . . . . . . . 4449 1 600 . 1 1 59 59 MET HE1 H 1 1.87 0.03 . 1 . . . . . . . . 4449 1 601 . 1 1 59 59 MET HE2 H 1 1.87 0.03 . 1 . . . . . . . . 4449 1 602 . 1 1 59 59 MET HE3 H 1 1.87 0.03 . 1 . . . . . . . . 4449 1 603 . 1 1 59 59 MET CA C 13 56.86 0.50 . 1 . . . . . . . . 4449 1 604 . 1 1 59 59 MET CB C 13 33.84 0.50 . 1 . . . . . . . . 4449 1 605 . 1 1 59 59 MET N N 15 118.43 0.25 . 1 . . . . . . . . 4449 1 606 . 1 1 60 60 VAL H H 1 7.21 0.03 . 1 . . . . . . . . 4449 1 607 . 1 1 60 60 VAL HA H 1 4.43 0.03 . 1 . . . . . . . . 4449 1 608 . 1 1 60 60 VAL HB H 1 1.86 0.03 . 1 . . . . . . . . 4449 1 609 . 1 1 60 60 VAL HG11 H 1 0.97 0.03 . 1 . . . . . . . . 4449 1 610 . 1 1 60 60 VAL HG12 H 1 0.97 0.03 . 1 . . . . . . . . 4449 1 611 . 1 1 60 60 VAL HG13 H 1 0.97 0.03 . 1 . . . . . . . . 4449 1 612 . 1 1 60 60 VAL HG21 H 1 0.62 0.03 . 1 . . . . . . . . 4449 1 613 . 1 1 60 60 VAL HG22 H 1 0.62 0.03 . 1 . . . . . . . . 4449 1 614 . 1 1 60 60 VAL HG23 H 1 0.62 0.03 . 1 . . . . . . . . 4449 1 615 . 1 1 60 60 VAL CA C 13 61.28 0.50 . 1 . . . . . . . . 4449 1 616 . 1 1 60 60 VAL CB C 13 32.91 0.50 . 1 . . . . . . . . 4449 1 617 . 1 1 60 60 VAL N N 15 119.01 0.25 . 1 . . . . . . . . 4449 1 618 . 1 1 61 61 LYS H H 1 9.17 0.03 . 1 . . . . . . . . 4449 1 619 . 1 1 61 61 LYS HA H 1 4.16 0.03 . 1 . . . . . . . . 4449 1 620 . 1 1 61 61 LYS HB2 H 1 1.79 0.03 . 1 . . . . . . . . 4449 1 621 . 1 1 61 61 LYS HB3 H 1 1.79 0.03 . 1 . . . . . . . . 4449 1 622 . 1 1 61 61 LYS HG2 H 1 1.28 0.03 . 1 . . . . . . . . 4449 1 623 . 1 1 61 61 LYS HG3 H 1 1.48 0.03 . 1 . . . . . . . . 4449 1 624 . 1 1 61 61 LYS HD2 H 1 1.61 0.03 . 1 . . . . . . . . 4449 1 625 . 1 1 61 61 LYS HD3 H 1 1.61 0.03 . 1 . . . . . . . . 4449 1 626 . 1 1 61 61 LYS HE2 H 1 2.82 0.03 . 1 . . . . . . . . 4449 1 627 . 1 1 61 61 LYS HE3 H 1 3.00 0.03 . 1 . . . . . . . . 4449 1 628 . 1 1 61 61 LYS CA C 13 58.31 0.50 . 1 . . . . . . . . 4449 1 629 . 1 1 61 61 LYS CB C 13 32.73 0.50 . 1 . . . . . . . . 4449 1 630 . 1 1 61 61 LYS N N 15 129.47 0.25 . 1 . . . . . . . . 4449 1 631 . 1 1 62 62 ASN H H 1 9.30 0.03 . 1 . . . . . . . . 4449 1 632 . 1 1 62 62 ASN HA H 1 4.43 0.03 . 1 . . . . . . . . 4449 1 633 . 1 1 62 62 ASN HB2 H 1 3.08 0.03 . 1 . . . . . . . . 4449 1 634 . 1 1 62 62 ASN HB3 H 1 3.08 0.03 . 1 . . . . . . . . 4449 1 635 . 1 1 62 62 ASN HD21 H 1 7.05 0.03 . 1 . . . . . . . . 4449 1 636 . 1 1 62 62 ASN HD22 H 1 7.76 0.03 . 1 . . . . . . . . 4449 1 637 . 1 1 62 62 ASN CA C 13 54.86 0.50 . 1 . . . . . . . . 4449 1 638 . 1 1 62 62 ASN CB C 13 37.19 0.50 . 1 . . . . . . . . 4449 1 639 . 1 1 62 62 ASN N N 15 118.61 0.25 . 1 . . . . . . . . 4449 1 640 . 1 1 62 62 ASN ND2 N 15 114.11 0.25 . 1 . . . . . . . . 4449 1 641 . 1 1 63 63 TYR H H 1 7.76 0.03 . 1 . . . . . . . . 4449 1 642 . 1 1 63 63 TYR HA H 1 4.15 0.03 . 1 . . . . . . . . 4449 1 643 . 1 1 63 63 TYR HB2 H 1 2.86 0.03 . 1 . . . . . . . . 4449 1 644 . 1 1 63 63 TYR HB3 H 1 3.12 0.03 . 1 . . . . . . . . 4449 1 645 . 1 1 63 63 TYR HD1 H 1 6.95 0.03 . 3 . . . . . . . . 4449 1 646 . 1 1 63 63 TYR HD2 H 1 6.96 0.03 . 3 . . . . . . . . 4449 1 647 . 1 1 63 63 TYR HE1 H 1 6.72 0.03 . 3 . . . . . . . . 4449 1 648 . 1 1 63 63 TYR HE2 H 1 6.78 0.03 . 3 . . . . . . . . 4449 1 649 . 1 1 63 63 TYR CA C 13 60.79 0.50 . 1 . . . . . . . . 4449 1 650 . 1 1 63 63 TYR CB C 13 39.65 0.50 . 1 . . . . . . . . 4449 1 651 . 1 1 63 63 TYR N N 15 121.31 0.25 . 1 . . . . . . . . 4449 1 652 . 1 1 64 64 GLU H H 1 8.41 0.03 . 1 . . . . . . . . 4449 1 653 . 1 1 64 64 GLU HA H 1 4.20 0.03 . 1 . . . . . . . . 4449 1 654 . 1 1 64 64 GLU HB2 H 1 1.84 0.03 . 1 . . . . . . . . 4449 1 655 . 1 1 64 64 GLU HB3 H 1 2.00 0.03 . 1 . . . . . . . . 4449 1 656 . 1 1 64 64 GLU HG2 H 1 2.16 0.03 . 1 . . . . . . . . 4449 1 657 . 1 1 64 64 GLU HG3 H 1 2.20 0.03 . 1 . . . . . . . . 4449 1 658 . 1 1 64 64 GLU CA C 13 56.11 0.50 . 1 . . . . . . . . 4449 1 659 . 1 1 64 64 GLU CB C 13 30.77 0.50 . 1 . . . . . . . . 4449 1 660 . 1 1 64 64 GLU N N 15 123.54 0.25 . 1 . . . . . . . . 4449 1 661 . 1 1 65 65 ASP H H 1 8.25 0.03 . 1 . . . . . . . . 4449 1 662 . 1 1 65 65 ASP HA H 1 4.53 0.03 . 1 . . . . . . . . 4449 1 663 . 1 1 65 65 ASP HB2 H 1 2.75 0.03 . 1 . . . . . . . . 4449 1 664 . 1 1 65 65 ASP HB3 H 1 2.75 0.03 . 1 . . . . . . . . 4449 1 665 . 1 1 65 65 ASP CA C 13 54.35 0.50 . 1 . . . . . . . . 4449 1 666 . 1 1 65 65 ASP CB C 13 41.19 0.50 . 1 . . . . . . . . 4449 1 667 . 1 1 65 65 ASP N N 15 122.28 0.25 . 1 . . . . . . . . 4449 1 668 . 1 1 66 66 GLY H H 1 8.47 0.03 . 1 . . . . . . . . 4449 1 669 . 1 1 66 66 GLY HA2 H 1 4.01 0.03 . 1 . . . . . . . . 4449 1 670 . 1 1 66 66 GLY HA3 H 1 4.01 0.03 . 1 . . . . . . . . 4449 1 671 . 1 1 66 66 GLY CA C 13 45.67 0.50 . 1 . . . . . . . . 4449 1 672 . 1 1 66 66 GLY N N 15 110.86 0.25 . 1 . . . . . . . . 4449 1 673 . 1 1 67 67 THR H H 1 8.28 0.03 . 1 . . . . . . . . 4449 1 674 . 1 1 67 67 THR HA H 1 4.39 0.03 . 1 . . . . . . . . 4449 1 675 . 1 1 67 67 THR HB H 1 4.26 0.03 . 1 . . . . . . . . 4449 1 676 . 1 1 67 67 THR HG1 H 1 5.01 0.03 . 0 . . . . . . . . 4449 1 677 . 1 1 67 67 THR HG21 H 1 1.22 0.03 . 1 . . . . . . . . 4449 1 678 . 1 1 67 67 THR HG22 H 1 1.22 0.03 . 1 . . . . . . . . 4449 1 679 . 1 1 67 67 THR HG23 H 1 1.22 0.03 . 1 . . . . . . . . 4449 1 680 . 1 1 67 67 THR CA C 13 62.38 0.50 . 1 . . . . . . . . 4449 1 681 . 1 1 67 67 THR CB C 13 69.89 0.50 . 1 . . . . . . . . 4449 1 682 . 1 1 67 67 THR N N 15 114.33 0.25 . 1 . . . . . . . . 4449 1 683 . 1 1 68 68 THR H H 1 8.29 0.03 . 1 . . . . . . . . 4449 1 684 . 1 1 68 68 THR HA H 1 4.43 0.03 . 1 . . . . . . . . 4449 1 685 . 1 1 68 68 THR HB H 1 4.25 0.03 . 1 . . . . . . . . 4449 1 686 . 1 1 68 68 THR HG1 H 1 5.00 0.03 . 0 . . . . . . . . 4449 1 687 . 1 1 68 68 THR HG21 H 1 1.23 0.03 . 1 . . . . . . . . 4449 1 688 . 1 1 68 68 THR HG22 H 1 1.23 0.03 . 1 . . . . . . . . 4449 1 689 . 1 1 68 68 THR HG23 H 1 1.23 0.03 . 1 . . . . . . . . 4449 1 690 . 1 1 68 68 THR CA C 13 61.79 0.50 . 1 . . . . . . . . 4449 1 691 . 1 1 68 68 THR CB C 13 69.91 0.50 . 1 . . . . . . . . 4449 1 692 . 1 1 68 68 THR N N 15 117.28 0.25 . 1 . . . . . . . . 4449 1 693 . 1 1 69 69 SER H H 1 8.50 0.03 . 1 . . . . . . . . 4449 1 694 . 1 1 69 69 SER HA H 1 5.01 0.03 . 1 . . . . . . . . 4449 1 695 . 1 1 69 69 SER HB2 H 1 3.87 0.03 . 1 . . . . . . . . 4449 1 696 . 1 1 69 69 SER HB3 H 1 4.77 0.03 . 1 . . . . . . . . 4449 1 697 . 1 1 69 69 SER CA C 13 56.48 0.50 . 1 . . . . . . . . 4449 1 698 . 1 1 69 69 SER CB C 13 63.30 0.50 . 1 . . . . . . . . 4449 1 699 . 1 1 69 69 SER N N 15 120.71 0.25 . 1 . . . . . . . . 4449 1 700 . 1 1 70 70 PRO HA H 1 4.49 0.03 . 1 . . . . . . . . 4449 1 701 . 1 1 70 70 PRO HB2 H 1 1.97 0.03 . 1 . . . . . . . . 4449 1 702 . 1 1 70 70 PRO HB3 H 1 2.31 0.03 . 1 . . . . . . . . 4449 1 703 . 1 1 70 70 PRO HG2 H 1 2.06 0.03 . 1 . . . . . . . . 4449 1 704 . 1 1 70 70 PRO HG3 H 1 2.06 0.03 . 1 . . . . . . . . 4449 1 705 . 1 1 70 70 PRO HD2 H 1 3.84 0.03 . 1 . . . . . . . . 4449 1 706 . 1 1 70 70 PRO HD3 H 1 3.75 0.03 . 1 . . . . . . . . 4449 1 707 . 1 1 70 70 PRO CA C 13 63.36 0.50 . 1 . . . . . . . . 4449 1 708 . 1 1 70 70 PRO CB C 13 32.20 0.50 . 1 . . . . . . . . 4449 1 709 . 1 1 71 71 GLY H H 1 9.24 0.03 . 1 . . . . . . . . 4449 1 710 . 1 1 71 71 GLY HA2 H 1 5.00 0.03 . 1 . . . . . . . . 4449 1 711 . 1 1 71 71 GLY HA3 H 1 4.03 0.03 . 1 . . . . . . . . 4449 1 712 . 1 1 71 71 GLY CA C 13 45.87 0.50 . 1 . . . . . . . . 4449 1 713 . 1 1 71 71 GLY N N 15 111.92 0.25 . 1 . . . . . . . . 4449 1 714 . 1 1 72 72 LEU H H 1 8.12 0.03 . 1 . . . . . . . . 4449 1 715 . 1 1 72 72 LEU HA H 1 4.32 0.03 . 1 . . . . . . . . 4449 1 716 . 1 1 72 72 LEU HB2 H 1 1.65 0.03 . 1 . . . . . . . . 4449 1 717 . 1 1 72 72 LEU HB3 H 1 1.65 0.03 . 1 . . . . . . . . 4449 1 718 . 1 1 72 72 LEU HG H 1 1.72 0.03 . 1 . . . . . . . . 4449 1 719 . 1 1 72 72 LEU HD11 H 1 0.90 0.03 . 1 . . . . . . . . 4449 1 720 . 1 1 72 72 LEU HD12 H 1 0.90 0.03 . 1 . . . . . . . . 4449 1 721 . 1 1 72 72 LEU HD13 H 1 0.90 0.03 . 1 . . . . . . . . 4449 1 722 . 1 1 72 72 LEU HD21 H 1 0.95 0.03 . 1 . . . . . . . . 4449 1 723 . 1 1 72 72 LEU HD22 H 1 0.95 0.03 . 1 . . . . . . . . 4449 1 724 . 1 1 72 72 LEU HD23 H 1 0.95 0.03 . 1 . . . . . . . . 4449 1 725 . 1 1 72 72 LEU CA C 13 56.61 0.50 . 1 . . . . . . . . 4449 1 726 . 1 1 72 72 LEU CB C 13 43.08 0.50 . 1 . . . . . . . . 4449 1 727 . 1 1 72 72 LEU N N 15 121.33 0.25 . 1 . . . . . . . . 4449 1 728 . 1 1 73 73 LYS H H 1 8.75 0.03 . 1 . . . . . . . . 4449 1 729 . 1 1 73 73 LYS HA H 1 4.58 0.03 . 1 . . . . . . . . 4449 1 730 . 1 1 73 73 LYS HB2 H 1 2.05 0.03 . 1 . . . . . . . . 4449 1 731 . 1 1 73 73 LYS HB3 H 1 2.05 0.03 . 1 . . . . . . . . 4449 1 732 . 1 1 73 73 LYS HG2 H 1 1.48 0.03 . 1 . . . . . . . . 4449 1 733 . 1 1 73 73 LYS HG3 H 1 1.48 0.03 . 1 . . . . . . . . 4449 1 734 . 1 1 73 73 LYS HD2 H 1 1.67 0.03 . 1 . . . . . . . . 4449 1 735 . 1 1 73 73 LYS HD3 H 1 1.56 0.03 . 1 . . . . . . . . 4449 1 736 . 1 1 73 73 LYS HE2 H 1 3.00 0.03 . 1 . . . . . . . . 4449 1 737 . 1 1 73 73 LYS HE3 H 1 3.00 0.03 . 1 . . . . . . . . 4449 1 738 . 1 1 73 73 LYS CA C 13 56.35 0.50 . 1 . . . . . . . . 4449 1 739 . 1 1 73 73 LYS CB C 13 34.50 0.50 . 1 . . . . . . . . 4449 1 740 . 1 1 73 73 LYS N N 15 118.89 0.25 . 1 . . . . . . . . 4449 1 741 . 1 1 74 74 SER H H 1 8.95 0.03 . 1 . . . . . . . . 4449 1 742 . 1 1 74 74 SER HA H 1 5.51 0.03 . 1 . . . . . . . . 4449 1 743 . 1 1 74 74 SER HB2 H 1 3.63 0.03 . 1 . . . . . . . . 4449 1 744 . 1 1 74 74 SER HB3 H 1 3.63 0.03 . 1 . . . . . . . . 4449 1 745 . 1 1 74 74 SER CA C 13 56.96 0.50 . 1 . . . . . . . . 4449 1 746 . 1 1 74 74 SER CB C 13 66.17 0.50 . 1 . . . . . . . . 4449 1 747 . 1 1 74 74 SER N N 15 117.70 0.25 . 1 . . . . . . . . 4449 1 748 . 1 1 75 75 VAL H H 1 8.54 0.03 . 1 . . . . . . . . 4449 1 749 . 1 1 75 75 VAL HA H 1 4.11 0.03 . 1 . . . . . . . . 4449 1 750 . 1 1 75 75 VAL HB H 1 1.86 0.03 . 1 . . . . . . . . 4449 1 751 . 1 1 75 75 VAL HG11 H 1 0.86 0.03 . 1 . . . . . . . . 4449 1 752 . 1 1 75 75 VAL HG12 H 1 0.86 0.03 . 1 . . . . . . . . 4449 1 753 . 1 1 75 75 VAL HG13 H 1 0.86 0.03 . 1 . . . . . . . . 4449 1 754 . 1 1 75 75 VAL HG21 H 1 0.78 0.03 . 1 . . . . . . . . 4449 1 755 . 1 1 75 75 VAL HG22 H 1 0.78 0.03 . 1 . . . . . . . . 4449 1 756 . 1 1 75 75 VAL HG23 H 1 0.78 0.03 . 1 . . . . . . . . 4449 1 757 . 1 1 75 75 VAL CA C 13 63.93 0.50 . 1 . . . . . . . . 4449 1 758 . 1 1 75 75 VAL CB C 13 31.45 0.50 . 1 . . . . . . . . 4449 1 759 . 1 1 75 75 VAL N N 15 123.00 0.25 . 1 . . . . . . . . 4449 1 760 . 1 1 76 76 VAL H H 1 9.16 0.03 . 1 . . . . . . . . 4449 1 761 . 1 1 76 76 VAL HA H 1 4.49 0.03 . 1 . . . . . . . . 4449 1 762 . 1 1 76 76 VAL HB H 1 1.51 0.03 . 1 . . . . . . . . 4449 1 763 . 1 1 76 76 VAL HG11 H 1 0.73 0.03 . 1 . . . . . . . . 4449 1 764 . 1 1 76 76 VAL HG12 H 1 0.73 0.03 . 1 . . . . . . . . 4449 1 765 . 1 1 76 76 VAL HG13 H 1 0.73 0.03 . 1 . . . . . . . . 4449 1 766 . 1 1 76 76 VAL HG21 H 1 0.85 0.03 . 1 . . . . . . . . 4449 1 767 . 1 1 76 76 VAL HG22 H 1 0.85 0.03 . 1 . . . . . . . . 4449 1 768 . 1 1 76 76 VAL HG23 H 1 0.85 0.03 . 1 . . . . . . . . 4449 1 769 . 1 1 76 76 VAL CA C 13 60.17 0.50 . 1 . . . . . . . . 4449 1 770 . 1 1 76 76 VAL CB C 13 35.77 0.50 . 1 . . . . . . . . 4449 1 771 . 1 1 76 76 VAL N N 15 128.77 0.25 . 1 . . . . . . . . 4449 1 772 . 1 1 77 77 ALA H H 1 8.49 0.03 . 1 . . . . . . . . 4449 1 773 . 1 1 77 77 ALA HA H 1 4.50 0.03 . 1 . . . . . . . . 4449 1 774 . 1 1 77 77 ALA HB1 H 1 1.73 0.03 . 1 . . . . . . . . 4449 1 775 . 1 1 77 77 ALA HB2 H 1 1.73 0.03 . 1 . . . . . . . . 4449 1 776 . 1 1 77 77 ALA HB3 H 1 1.73 0.03 . 1 . . . . . . . . 4449 1 777 . 1 1 77 77 ALA CA C 13 53.38 0.50 . 1 . . . . . . . . 4449 1 778 . 1 1 77 77 ALA CB C 13 19.86 0.50 . 1 . . . . . . . . 4449 1 779 . 1 1 77 77 ALA N N 15 129.00 0.25 . 1 . . . . . . . . 4449 1 780 . 1 1 78 78 ASN H H 1 8.98 0.03 . 1 . . . . . . . . 4449 1 781 . 1 1 78 78 ASN HA H 1 4.99 0.03 . 1 . . . . . . . . 4449 1 782 . 1 1 78 78 ASN HB2 H 1 2.57 0.03 . 1 . . . . . . . . 4449 1 783 . 1 1 78 78 ASN HB3 H 1 2.57 0.03 . 1 . . . . . . . . 4449 1 784 . 1 1 78 78 ASN HD21 H 1 7.00 0.03 . 1 . . . . . . . . 4449 1 785 . 1 1 78 78 ASN HD22 H 1 7.77 0.03 . 1 . . . . . . . . 4449 1 786 . 1 1 78 78 ASN CA C 13 51.36 0.50 . 1 . . . . . . . . 4449 1 787 . 1 1 78 78 ASN CB C 13 40.49 0.50 . 1 . . . . . . . . 4449 1 788 . 1 1 78 78 ASN N N 15 122.47 0.25 . 1 . . . . . . . . 4449 1 789 . 1 1 78 78 ASN ND2 N 15 113.62 0.25 . 1 . . . . . . . . 4449 1 790 . 1 1 79 79 GLN H H 1 7.80 0.03 . 1 . . . . . . . . 4449 1 791 . 1 1 79 79 GLN HA H 1 4.45 0.03 . 1 . . . . . . . . 4449 1 792 . 1 1 79 79 GLN HB2 H 1 1.86 0.03 . 1 . . . . . . . . 4449 1 793 . 1 1 79 79 GLN HB3 H 1 2.04 0.03 . 1 . . . . . . . . 4449 1 794 . 1 1 79 79 GLN HG2 H 1 2.13 0.03 . 1 . . . . . . . . 4449 1 795 . 1 1 79 79 GLN HG3 H 1 2.35 0.03 . 1 . . . . . . . . 4449 1 796 . 1 1 79 79 GLN HE21 H 1 6.94 0.03 . 1 . . . . . . . . 4449 1 797 . 1 1 79 79 GLN HE22 H 1 7.51 0.03 . 1 . . . . . . . . 4449 1 798 . 1 1 79 79 GLN CA C 13 53.55 0.50 . 1 . . . . . . . . 4449 1 799 . 1 1 79 79 GLN CB C 13 32.45 0.50 . 1 . . . . . . . . 4449 1 800 . 1 1 79 79 GLN N N 15 111.82 0.25 . 1 . . . . . . . . 4449 1 801 . 1 1 79 79 GLN NE2 N 15 111.98 0.25 . 1 . . . . . . . . 4449 1 802 . 1 1 80 80 LEU H H 1 8.46 0.03 . 1 . . . . . . . . 4449 1 803 . 1 1 80 80 LEU HA H 1 4.67 0.03 . 1 . . . . . . . . 4449 1 804 . 1 1 80 80 LEU HB2 H 1 1.70 0.03 . 1 . . . . . . . . 4449 1 805 . 1 1 80 80 LEU HB3 H 1 1.70 0.03 . 1 . . . . . . . . 4449 1 806 . 1 1 80 80 LEU HG H 1 1.18 0.03 . 1 . . . . . . . . 4449 1 807 . 1 1 80 80 LEU HD11 H 1 0.80 0.03 . 1 . . . . . . . . 4449 1 808 . 1 1 80 80 LEU HD12 H 1 0.80 0.03 . 1 . . . . . . . . 4449 1 809 . 1 1 80 80 LEU HD13 H 1 0.80 0.03 . 1 . . . . . . . . 4449 1 810 . 1 1 80 80 LEU HD21 H 1 0.83 0.03 . 1 . . . . . . . . 4449 1 811 . 1 1 80 80 LEU HD22 H 1 0.83 0.03 . 1 . . . . . . . . 4449 1 812 . 1 1 80 80 LEU HD23 H 1 0.83 0.03 . 1 . . . . . . . . 4449 1 813 . 1 1 80 80 LEU CA C 13 56.26 0.50 . 1 . . . . . . . . 4449 1 814 . 1 1 80 80 LEU CB C 13 41.29 0.50 . 1 . . . . . . . . 4449 1 815 . 1 1 80 80 LEU N N 15 120.84 0.25 . 1 . . . . . . . . 4449 1 816 . 1 1 81 81 ILE H H 1 9.88 0.03 . 1 . . . . . . . . 4449 1 817 . 1 1 81 81 ILE HA H 1 4.53 0.03 . 1 . . . . . . . . 4449 1 818 . 1 1 81 81 ILE HB H 1 2.07 0.03 . 1 . . . . . . . . 4449 1 819 . 1 1 81 81 ILE HG12 H 1 1.03 0.03 . 1 . . . . . . . . 4449 1 820 . 1 1 81 81 ILE HG13 H 1 1.03 0.03 . 1 . . . . . . . . 4449 1 821 . 1 1 81 81 ILE HG21 H 1 0.94 0.03 . 1 . . . . . . . . 4449 1 822 . 1 1 81 81 ILE HG22 H 1 0.94 0.03 . 1 . . . . . . . . 4449 1 823 . 1 1 81 81 ILE HG23 H 1 0.94 0.03 . 1 . . . . . . . . 4449 1 824 . 1 1 81 81 ILE CA C 13 59.20 0.50 . 1 . . . . . . . . 4449 1 825 . 1 1 81 81 ILE CB C 13 39.99 0.50 . 1 . . . . . . . . 4449 1 826 . 1 1 81 81 ILE N N 15 133.78 0.25 . 1 . . . . . . . . 4449 1 827 . 1 1 82 82 PRO HA H 1 4.34 0.03 . 1 . . . . . . . . 4449 1 828 . 1 1 82 82 PRO HB2 H 1 1.70 0.03 . 1 . . . . . . . . 4449 1 829 . 1 1 82 82 PRO HB3 H 1 2.35 0.03 . 1 . . . . . . . . 4449 1 830 . 1 1 82 82 PRO HG2 H 1 1.82 0.03 . 1 . . . . . . . . 4449 1 831 . 1 1 82 82 PRO HG3 H 1 1.82 0.03 . 1 . . . . . . . . 4449 1 832 . 1 1 82 82 PRO CA C 13 61.99 0.50 . 1 . . . . . . . . 4449 1 833 . 1 1 82 82 PRO CB C 13 32.83 0.50 . 1 . . . . . . . . 4449 1 834 . 1 1 83 83 ILE H H 1 8.47 0.03 . 1 . . . . . . . . 4449 1 835 . 1 1 83 83 ILE HA H 1 3.30 0.03 . 1 . . . . . . . . 4449 1 836 . 1 1 83 83 ILE HB H 1 1.66 0.03 . 1 . . . . . . . . 4449 1 837 . 1 1 83 83 ILE HG21 H 1 0.97 0.03 . 1 . . . . . . . . 4449 1 838 . 1 1 83 83 ILE HG22 H 1 0.97 0.03 . 1 . . . . . . . . 4449 1 839 . 1 1 83 83 ILE HG23 H 1 0.97 0.03 . 1 . . . . . . . . 4449 1 840 . 1 1 83 83 ILE HD11 H 1 0.90 0.03 . 1 . . . . . . . . 4449 1 841 . 1 1 83 83 ILE HD12 H 1 0.90 0.03 . 1 . . . . . . . . 4449 1 842 . 1 1 83 83 ILE HD13 H 1 0.90 0.03 . 1 . . . . . . . . 4449 1 843 . 1 1 83 83 ILE CA C 13 63.86 0.50 . 1 . . . . . . . . 4449 1 844 . 1 1 83 83 ILE CB C 13 38.91 0.50 . 1 . . . . . . . . 4449 1 845 . 1 1 83 83 ILE N N 15 122.56 0.25 . 1 . . . . . . . . 4449 1 846 . 1 1 84 84 ASN H H 1 7.37 0.03 . 1 . . . . . . . . 4449 1 847 . 1 1 84 84 ASN HA H 1 4.52 0.03 . 1 . . . . . . . . 4449 1 848 . 1 1 84 84 ASN HB2 H 1 3.00 0.03 . 1 . . . . . . . . 4449 1 849 . 1 1 84 84 ASN HB3 H 1 3.14 0.03 . 1 . . . . . . . . 4449 1 850 . 1 1 84 84 ASN HD21 H 1 7.18 0.03 . 1 . . . . . . . . 4449 1 851 . 1 1 84 84 ASN HD22 H 1 7.91 0.03 . 1 . . . . . . . . 4449 1 852 . 1 1 84 84 ASN CA C 13 55.58 0.50 . 1 . . . . . . . . 4449 1 853 . 1 1 84 84 ASN CB C 13 37.33 0.50 . 1 . . . . . . . . 4449 1 854 . 1 1 84 84 ASN N N 15 117.31 0.25 . 1 . . . . . . . . 4449 1 855 . 1 1 84 84 ASN ND2 N 15 117.02 0.25 . 1 . . . . . . . . 4449 1 856 . 1 1 85 85 THR H H 1 7.53 0.03 . 1 . . . . . . . . 4449 1 857 . 1 1 85 85 THR HA H 1 3.97 0.03 . 1 . . . . . . . . 4449 1 858 . 1 1 85 85 THR HB H 1 3.97 0.03 . 1 . . . . . . . . 4449 1 859 . 1 1 85 85 THR HG1 H 1 5.46 0.03 . 0 . . . . . . . . 4449 1 860 . 1 1 85 85 THR HG21 H 1 1.15 0.03 . 1 . . . . . . . . 4449 1 861 . 1 1 85 85 THR HG22 H 1 1.15 0.03 . 1 . . . . . . . . 4449 1 862 . 1 1 85 85 THR HG23 H 1 1.15 0.03 . 1 . . . . . . . . 4449 1 863 . 1 1 85 85 THR CA C 13 64.63 0.50 . 1 . . . . . . . . 4449 1 864 . 1 1 85 85 THR CB C 13 69.46 0.50 . 1 . . . . . . . . 4449 1 865 . 1 1 85 85 THR N N 15 118.18 0.25 . 1 . . . . . . . . 4449 1 866 . 1 1 86 86 ALA H H 1 8.60 0.03 . 1 . . . . . . . . 4449 1 867 . 1 1 86 86 ALA HA H 1 4.36 0.03 . 1 . . . . . . . . 4449 1 868 . 1 1 86 86 ALA HB1 H 1 1.27 0.03 . 1 . . . . . . . . 4449 1 869 . 1 1 86 86 ALA HB2 H 1 1.27 0.03 . 1 . . . . . . . . 4449 1 870 . 1 1 86 86 ALA HB3 H 1 1.27 0.03 . 1 . . . . . . . . 4449 1 871 . 1 1 86 86 ALA CA C 13 50.83 0.50 . 1 . . . . . . . . 4449 1 872 . 1 1 86 86 ALA CB C 13 18.45 0.50 . 1 . . . . . . . . 4449 1 873 . 1 1 86 86 ALA N N 15 128.56 0.25 . 1 . . . . . . . . 4449 1 874 . 1 1 87 87 LEU H H 1 9.24 0.03 . 1 . . . . . . . . 4449 1 875 . 1 1 87 87 LEU HA H 1 4.59 0.03 . 1 . . . . . . . . 4449 1 876 . 1 1 87 87 LEU HB2 H 1 2.28 0.03 . 1 . . . . . . . . 4449 1 877 . 1 1 87 87 LEU HB3 H 1 2.28 0.03 . 1 . . . . . . . . 4449 1 878 . 1 1 87 87 LEU HG H 1 1.93 0.03 . 1 . . . . . . . . 4449 1 879 . 1 1 87 87 LEU HD11 H 1 1.04 0.03 . 1 . . . . . . . . 4449 1 880 . 1 1 87 87 LEU HD12 H 1 1.04 0.03 . 1 . . . . . . . . 4449 1 881 . 1 1 87 87 LEU HD13 H 1 1.04 0.03 . 1 . . . . . . . . 4449 1 882 . 1 1 87 87 LEU HD21 H 1 0.91 0.03 . 1 . . . . . . . . 4449 1 883 . 1 1 87 87 LEU HD22 H 1 0.91 0.03 . 1 . . . . . . . . 4449 1 884 . 1 1 87 87 LEU HD23 H 1 0.91 0.03 . 1 . . . . . . . . 4449 1 885 . 1 1 87 87 LEU CA C 13 56.01 0.50 . 1 . . . . . . . . 4449 1 886 . 1 1 87 87 LEU CB C 13 42.71 0.50 . 1 . . . . . . . . 4449 1 887 . 1 1 87 87 LEU N N 15 125.87 0.25 . 1 . . . . . . . . 4449 1 888 . 1 1 88 88 THR H H 1 8.07 0.03 . 1 . . . . . . . . 4449 1 889 . 1 1 88 88 THR HA H 1 4.72 0.03 . 1 . . . . . . . . 4449 1 890 . 1 1 88 88 THR HB H 1 4.57 0.03 . 1 . . . . . . . . 4449 1 891 . 1 1 88 88 THR HG21 H 1 1.30 0.03 . 1 . . . . . . . . 4449 1 892 . 1 1 88 88 THR HG22 H 1 1.30 0.03 . 1 . . . . . . . . 4449 1 893 . 1 1 88 88 THR HG23 H 1 1.30 0.03 . 1 . . . . . . . . 4449 1 894 . 1 1 88 88 THR CA C 13 59.01 0.50 . 1 . . . . . . . . 4449 1 895 . 1 1 88 88 THR CB C 13 71.22 0.50 . 1 . . . . . . . . 4449 1 896 . 1 1 88 88 THR N N 15 114.23 0.25 . 1 . . . . . . . . 4449 1 897 . 1 1 89 89 LEU H H 1 9.01 0.03 . 1 . . . . . . . . 4449 1 898 . 1 1 89 89 LEU HA H 1 3.87 0.03 . 1 . . . . . . . . 4449 1 899 . 1 1 89 89 LEU HB2 H 1 1.61 0.03 . 1 . . . . . . . . 4449 1 900 . 1 1 89 89 LEU HB3 H 1 1.75 0.03 . 1 . . . . . . . . 4449 1 901 . 1 1 89 89 LEU HG H 1 1.73 0.03 . 1 . . . . . . . . 4449 1 902 . 1 1 89 89 LEU HD11 H 1 0.97 0.03 . 1 . . . . . . . . 4449 1 903 . 1 1 89 89 LEU HD12 H 1 0.97 0.03 . 1 . . . . . . . . 4449 1 904 . 1 1 89 89 LEU HD13 H 1 0.97 0.03 . 1 . . . . . . . . 4449 1 905 . 1 1 89 89 LEU HD21 H 1 0.83 0.03 . 1 . . . . . . . . 4449 1 906 . 1 1 89 89 LEU HD22 H 1 0.83 0.03 . 1 . . . . . . . . 4449 1 907 . 1 1 89 89 LEU HD23 H 1 0.83 0.03 . 1 . . . . . . . . 4449 1 908 . 1 1 89 89 LEU CA C 13 58.73 0.50 . 1 . . . . . . . . 4449 1 909 . 1 1 89 89 LEU CB C 13 42.18 0.50 . 1 . . . . . . . . 4449 1 910 . 1 1 89 89 LEU N N 15 121.43 0.25 . 1 . . . . . . . . 4449 1 911 . 1 1 90 90 VAL H H 1 7.55 0.03 . 1 . . . . . . . . 4449 1 912 . 1 1 90 90 VAL HA H 1 4.16 0.03 . 1 . . . . . . . . 4449 1 913 . 1 1 90 90 VAL HB H 1 1.57 0.03 . 1 . . . . . . . . 4449 1 914 . 1 1 90 90 VAL HG11 H 1 0.73 0.03 . 1 . . . . . . . . 4449 1 915 . 1 1 90 90 VAL HG12 H 1 0.73 0.03 . 1 . . . . . . . . 4449 1 916 . 1 1 90 90 VAL HG13 H 1 0.73 0.03 . 1 . . . . . . . . 4449 1 917 . 1 1 90 90 VAL HG21 H 1 0.86 0.03 . 1 . . . . . . . . 4449 1 918 . 1 1 90 90 VAL HG22 H 1 0.86 0.03 . 1 . . . . . . . . 4449 1 919 . 1 1 90 90 VAL HG23 H 1 0.86 0.03 . 1 . . . . . . . . 4449 1 920 . 1 1 90 90 VAL CA C 13 63.46 0.50 . 1 . . . . . . . . 4449 1 921 . 1 1 90 90 VAL CB C 13 31.60 0.50 . 1 . . . . . . . . 4449 1 922 . 1 1 90 90 VAL N N 15 111.07 0.25 . 1 . . . . . . . . 4449 1 923 . 1 1 91 91 MET H H 1 7.64 0.03 . 1 . . . . . . . . 4449 1 924 . 1 1 91 91 MET HA H 1 4.05 0.03 . 1 . . . . . . . . 4449 1 925 . 1 1 91 91 MET HB2 H 1 2.89 0.03 . 1 . . . . . . . . 4449 1 926 . 1 1 91 91 MET HB3 H 1 2.46 0.03 . 1 . . . . . . . . 4449 1 927 . 1 1 91 91 MET HG2 H 1 2.23 0.03 . 1 . . . . . . . . 4449 1 928 . 1 1 91 91 MET HG3 H 1 2.23 0.03 . 1 . . . . . . . . 4449 1 929 . 1 1 91 91 MET CA C 13 58.07 0.50 . 1 . . . . . . . . 4449 1 930 . 1 1 91 91 MET CB C 13 32.98 0.50 . 1 . . . . . . . . 4449 1 931 . 1 1 91 91 MET N N 15 118.53 0.25 . 1 . . . . . . . . 4449 1 932 . 1 1 92 92 MET H H 1 7.76 0.03 . 1 . . . . . . . . 4449 1 933 . 1 1 92 92 MET HA H 1 4.92 0.03 . 1 . . . . . . . . 4449 1 934 . 1 1 92 92 MET HB2 H 1 1.95 0.03 . 1 . . . . . . . . 4449 1 935 . 1 1 92 92 MET HB3 H 1 2.12 0.03 . 1 . . . . . . . . 4449 1 936 . 1 1 92 92 MET HG2 H 1 2.31 0.03 . 1 . . . . . . . . 4449 1 937 . 1 1 92 92 MET HG3 H 1 2.31 0.03 . 1 . . . . . . . . 4449 1 938 . 1 1 92 92 MET CA C 13 55.34 0.50 . 1 . . . . . . . . 4449 1 939 . 1 1 92 92 MET CB C 13 38.78 0.50 . 1 . . . . . . . . 4449 1 940 . 1 1 92 92 MET N N 15 118.21 0.25 . 1 . . . . . . . . 4449 1 941 . 1 1 93 93 LYS H H 1 9.24 0.03 . 1 . . . . . . . . 4449 1 942 . 1 1 93 93 LYS HA H 1 4.79 0.03 . 1 . . . . . . . . 4449 1 943 . 1 1 93 93 LYS HB2 H 1 2.01 0.03 . 1 . . . . . . . . 4449 1 944 . 1 1 93 93 LYS HB3 H 1 2.01 0.03 . 1 . . . . . . . . 4449 1 945 . 1 1 93 93 LYS HG2 H 1 1.67 0.03 . 1 . . . . . . . . 4449 1 946 . 1 1 93 93 LYS HG3 H 1 1.73 0.03 . 1 . . . . . . . . 4449 1 947 . 1 1 93 93 LYS HD2 H 1 1.82 0.03 . 1 . . . . . . . . 4449 1 948 . 1 1 93 93 LYS HD3 H 1 1.82 0.03 . 1 . . . . . . . . 4449 1 949 . 1 1 93 93 LYS HE2 H 1 2.90 0.03 . 1 . . . . . . . . 4449 1 950 . 1 1 93 93 LYS HE3 H 1 2.90 0.03 . 1 . . . . . . . . 4449 1 951 . 1 1 93 93 LYS CA C 13 54.25 0.50 . 1 . . . . . . . . 4449 1 952 . 1 1 93 93 LYS CB C 13 35.77 0.50 . 1 . . . . . . . . 4449 1 953 . 1 1 93 93 LYS N N 15 120.47 0.25 . 1 . . . . . . . . 4449 1 954 . 1 1 94 94 ALA H H 1 8.60 0.03 . 1 . . . . . . . . 4449 1 955 . 1 1 94 94 ALA HA H 1 5.41 0.03 . 1 . . . . . . . . 4449 1 956 . 1 1 94 94 ALA HB1 H 1 1.24 0.03 . 1 . . . . . . . . 4449 1 957 . 1 1 94 94 ALA HB2 H 1 1.24 0.03 . 1 . . . . . . . . 4449 1 958 . 1 1 94 94 ALA HB3 H 1 1.24 0.03 . 1 . . . . . . . . 4449 1 959 . 1 1 94 94 ALA CA C 13 50.09 0.50 . 1 . . . . . . . . 4449 1 960 . 1 1 94 94 ALA CB C 13 21.53 0.50 . 1 . . . . . . . . 4449 1 961 . 1 1 94 94 ALA N N 15 123.46 0.25 . 1 . . . . . . . . 4449 1 962 . 1 1 95 95 GLU H H 1 8.83 0.03 . 1 . . . . . . . . 4449 1 963 . 1 1 95 95 GLU HA H 1 4.78 0.03 . 1 . . . . . . . . 4449 1 964 . 1 1 95 95 GLU HB2 H 1 1.68 0.03 . 1 . . . . . . . . 4449 1 965 . 1 1 95 95 GLU HB3 H 1 1.90 0.03 . 1 . . . . . . . . 4449 1 966 . 1 1 95 95 GLU HG2 H 1 2.23 0.03 . 1 . . . . . . . . 4449 1 967 . 1 1 95 95 GLU CA C 13 54.60 0.50 . 1 . . . . . . . . 4449 1 968 . 1 1 95 95 GLU CB C 13 35.15 0.50 . 1 . . . . . . . . 4449 1 969 . 1 1 95 95 GLU N N 15 121.30 0.25 . 1 . . . . . . . . 4449 1 970 . 1 1 96 96 GLU H H 1 9.61 0.03 . 1 . . . . . . . . 4449 1 971 . 1 1 96 96 GLU HA H 1 4.50 0.03 . 1 . . . . . . . . 4449 1 972 . 1 1 96 96 GLU HB2 H 1 1.82 0.03 . 1 . . . . . . . . 4449 1 973 . 1 1 96 96 GLU HB3 H 1 1.83 0.03 . 1 . . . . . . . . 4449 1 974 . 1 1 96 96 GLU HG2 H 1 2.21 0.03 . 1 . . . . . . . . 4449 1 975 . 1 1 96 96 GLU CA C 13 57.05 0.50 . 1 . . . . . . . . 4449 1 976 . 1 1 96 96 GLU CB C 13 29.00 0.50 . 1 . . . . . . . . 4449 1 977 . 1 1 96 96 GLU N N 15 127.06 0.25 . 1 . . . . . . . . 4449 1 978 . 1 1 97 97 VAL H H 1 8.20 0.03 . 1 . . . . . . . . 4449 1 979 . 1 1 97 97 VAL HA H 1 4.80 0.03 . 1 . . . . . . . . 4449 1 980 . 1 1 97 97 VAL HB H 1 2.08 0.03 . 1 . . . . . . . . 4449 1 981 . 1 1 97 97 VAL HG11 H 1 0.81 0.03 . 1 . . . . . . . . 4449 1 982 . 1 1 97 97 VAL HG12 H 1 0.81 0.03 . 1 . . . . . . . . 4449 1 983 . 1 1 97 97 VAL HG13 H 1 0.81 0.03 . 1 . . . . . . . . 4449 1 984 . 1 1 97 97 VAL HG21 H 1 0.89 0.03 . 1 . . . . . . . . 4449 1 985 . 1 1 97 97 VAL HG22 H 1 0.89 0.03 . 1 . . . . . . . . 4449 1 986 . 1 1 97 97 VAL HG23 H 1 0.89 0.03 . 1 . . . . . . . . 4449 1 987 . 1 1 97 97 VAL CA C 13 59.53 0.50 . 1 . . . . . . . . 4449 1 988 . 1 1 97 97 VAL CB C 13 36.13 0.50 . 1 . . . . . . . . 4449 1 989 . 1 1 97 97 VAL N N 15 122.33 0.25 . 1 . . . . . . . . 4449 1 990 . 1 1 98 98 SER H H 1 8.50 0.03 . 1 . . . . . . . . 4449 1 991 . 1 1 98 98 SER HA H 1 4.58 0.03 . 1 . . . . . . . . 4449 1 992 . 1 1 98 98 SER HB2 H 1 3.70 0.03 . 1 . . . . . . . . 4449 1 993 . 1 1 98 98 SER HB3 H 1 3.70 0.03 . 1 . . . . . . . . 4449 1 994 . 1 1 98 98 SER CA C 13 55.20 0.50 . 1 . . . . . . . . 4449 1 995 . 1 1 98 98 SER CB C 13 65.06 0.50 . 1 . . . . . . . . 4449 1 996 . 1 1 98 98 SER N N 15 117.72 0.25 . 1 . . . . . . . . 4449 1 997 . 1 1 99 99 PRO HA H 1 4.75 0.03 . 1 . . . . . . . . 4449 1 998 . 1 1 99 99 PRO HB2 H 1 2.10 0.03 . 1 . . . . . . . . 4449 1 999 . 1 1 99 99 PRO HB3 H 1 2.50 0.03 . 1 . . . . . . . . 4449 1 1000 . 1 1 99 99 PRO HG2 H 1 1.82 0.03 . 1 . . . . . . . . 4449 1 1001 . 1 1 99 99 PRO HG3 H 1 1.97 0.03 . 1 . . . . . . . . 4449 1 1002 . 1 1 99 99 PRO HD2 H 1 3.51 0.03 . 1 . . . . . . . . 4449 1 1003 . 1 1 99 99 PRO HD3 H 1 3.63 0.03 . 1 . . . . . . . . 4449 1 1004 . 1 1 99 99 PRO CA C 13 62.54 0.50 . 1 . . . . . . . . 4449 1 1005 . 1 1 99 99 PRO CB C 13 34.55 0.50 . 1 . . . . . . . . 4449 1 1006 . 1 1 100 100 LYS H H 1 8.73 0.03 . 1 . . . . . . . . 4449 1 1007 . 1 1 100 100 LYS HA H 1 3.93 0.03 . 1 . . . . . . . . 4449 1 1008 . 1 1 100 100 LYS HB2 H 1 2.01 0.03 . 1 . . . . . . . . 4449 1 1009 . 1 1 100 100 LYS HB3 H 1 2.01 0.03 . 1 . . . . . . . . 4449 1 1010 . 1 1 100 100 LYS HG2 H 1 1.65 0.03 . 1 . . . . . . . . 4449 1 1011 . 1 1 100 100 LYS HG3 H 1 1.74 0.03 . 1 . . . . . . . . 4449 1 1012 . 1 1 100 100 LYS HD2 H 1 1.81 0.03 . 1 . . . . . . . . 4449 1 1013 . 1 1 100 100 LYS HD3 H 1 1.81 0.03 . 1 . . . . . . . . 4449 1 1014 . 1 1 100 100 LYS HE2 H 1 2.90 0.03 . 1 . . . . . . . . 4449 1 1015 . 1 1 100 100 LYS HE3 H 1 2.90 0.03 . 1 . . . . . . . . 4449 1 1016 . 1 1 100 100 LYS CA C 13 57.76 0.50 . 1 . . . . . . . . 4449 1 1017 . 1 1 100 100 LYS CB C 13 33.44 0.50 . 1 . . . . . . . . 4449 1 1018 . 1 1 100 100 LYS N N 15 121.21 0.25 . 1 . . . . . . . . 4449 1 1019 . 1 1 101 101 GLY H H 1 8.05 0.03 . 1 . . . . . . . . 4449 1 1020 . 1 1 101 101 GLY HA2 H 1 3.51 0.03 . 1 . . . . . . . . 4449 1 1021 . 1 1 101 101 GLY HA3 H 1 5.01 0.03 . 1 . . . . . . . . 4449 1 1022 . 1 1 101 101 GLY CA C 13 44.94 0.50 . 1 . . . . . . . . 4449 1 1023 . 1 1 101 101 GLY N N 15 109.62 0.25 . 1 . . . . . . . . 4449 1 1024 . 1 1 102 102 ILE H H 1 8.74 0.03 . 1 . . . . . . . . 4449 1 1025 . 1 1 102 102 ILE HA H 1 3.96 0.03 . 1 . . . . . . . . 4449 1 1026 . 1 1 102 102 ILE HB H 1 1.31 0.03 . 1 . . . . . . . . 4449 1 1027 . 1 1 102 102 ILE HG12 H 1 1.17 0.03 . 1 . . . . . . . . 4449 1 1028 . 1 1 102 102 ILE HG13 H 1 1.02 0.03 . 1 . . . . . . . . 4449 1 1029 . 1 1 102 102 ILE HG21 H 1 0.46 0.03 . 1 . . . . . . . . 4449 1 1030 . 1 1 102 102 ILE HG22 H 1 0.46 0.03 . 1 . . . . . . . . 4449 1 1031 . 1 1 102 102 ILE HG23 H 1 0.46 0.03 . 1 . . . . . . . . 4449 1 1032 . 1 1 102 102 ILE HD11 H 1 0.16 0.03 . 1 . . . . . . . . 4449 1 1033 . 1 1 102 102 ILE HD12 H 1 0.16 0.03 . 1 . . . . . . . . 4449 1 1034 . 1 1 102 102 ILE HD13 H 1 0.16 0.03 . 1 . . . . . . . . 4449 1 1035 . 1 1 102 102 ILE CA C 13 61.23 0.50 . 1 . . . . . . . . 4449 1 1036 . 1 1 102 102 ILE CB C 13 40.23 0.50 . 1 . . . . . . . . 4449 1 1037 . 1 1 102 102 ILE N N 15 128.65 0.25 . 1 . . . . . . . . 4449 1 1038 . 1 1 103 103 PRO HA H 1 4.84 0.03 . 1 . . . . . . . . 4449 1 1039 . 1 1 103 103 PRO HB2 H 1 2.15 0.03 . 1 . . . . . . . . 4449 1 1040 . 1 1 103 103 PRO HB3 H 1 2.68 0.03 . 1 . . . . . . . . 4449 1 1041 . 1 1 103 103 PRO CA C 13 63.51 0.50 . 1 . . . . . . . . 4449 1 1042 . 1 1 103 103 PRO CB C 13 33.30 0.50 . 1 . . . . . . . . 4449 1 1043 . 1 1 104 104 SER H H 1 8.67 0.03 . 1 . . . . . . . . 4449 1 1044 . 1 1 104 104 SER HA H 1 5.00 0.03 . 1 . . . . . . . . 4449 1 1045 . 1 1 104 104 SER HB2 H 1 3.85 0.03 . 1 . . . . . . . . 4449 1 1046 . 1 1 104 104 SER HB3 H 1 3.85 0.03 . 1 . . . . . . . . 4449 1 1047 . 1 1 104 104 SER CA C 13 62.18 0.50 . 1 . . . . . . . . 4449 1 1048 . 1 1 104 104 SER CB C 13 62.36 0.50 . 1 . . . . . . . . 4449 1 1049 . 1 1 104 104 SER N N 15 118.61 0.25 . 1 . . . . . . . . 4449 1 1050 . 1 1 105 105 GLU H H 1 9.43 0.03 . 1 . . . . . . . . 4449 1 1051 . 1 1 105 105 GLU HA H 1 4.19 0.03 . 1 . . . . . . . . 4449 1 1052 . 1 1 105 105 GLU HB2 H 1 2.11 0.03 . 1 . . . . . . . . 4449 1 1053 . 1 1 105 105 GLU HB3 H 1 2.11 0.03 . 1 . . . . . . . . 4449 1 1054 . 1 1 105 105 GLU HG2 H 1 2.37 0.03 . 1 . . . . . . . . 4449 1 1055 . 1 1 105 105 GLU HG3 H 1 2.64 0.03 . 1 . . . . . . . . 4449 1 1056 . 1 1 105 105 GLU CA C 13 60.18 0.50 . 1 . . . . . . . . 4449 1 1057 . 1 1 105 105 GLU CB C 13 28.48 0.50 . 1 . . . . . . . . 4449 1 1058 . 1 1 105 105 GLU N N 15 124.60 0.25 . 1 . . . . . . . . 4449 1 1059 . 1 1 106 106 GLU H H 1 8.24 0.03 . 1 . . . . . . . . 4449 1 1060 . 1 1 106 106 GLU HA H 1 4.49 0.03 . 1 . . . . . . . . 4449 1 1061 . 1 1 106 106 GLU HB2 H 1 2.09 0.03 . 1 . . . . . . . . 4449 1 1062 . 1 1 106 106 GLU HB3 H 1 2.09 0.03 . 1 . . . . . . . . 4449 1 1063 . 1 1 106 106 GLU HG2 H 1 2.35 0.03 . 1 . . . . . . . . 4449 1 1064 . 1 1 106 106 GLU HG3 H 1 2.23 0.03 . 1 . . . . . . . . 4449 1 1065 . 1 1 106 106 GLU CA C 13 56.22 0.50 . 1 . . . . . . . . 4449 1 1066 . 1 1 106 106 GLU CB C 13 29.47 0.50 . 1 . . . . . . . . 4449 1 1067 . 1 1 106 106 GLU N N 15 118.08 0.25 . 1 . . . . . . . . 4449 1 1068 . 1 1 107 107 ILE H H 1 7.49 0.03 . 1 . . . . . . . . 4449 1 1069 . 1 1 107 107 ILE HA H 1 3.56 0.03 . 1 . . . . . . . . 4449 1 1070 . 1 1 107 107 ILE HB H 1 1.83 0.03 . 1 . . . . . . . . 4449 1 1071 . 1 1 107 107 ILE HG12 H 1 1.17 0.03 . 1 . . . . . . . . 4449 1 1072 . 1 1 107 107 ILE HG13 H 1 1.17 0.03 . 1 . . . . . . . . 4449 1 1073 . 1 1 107 107 ILE HG21 H 1 0.81 0.03 . 1 . . . . . . . . 4449 1 1074 . 1 1 107 107 ILE HG22 H 1 0.81 0.03 . 1 . . . . . . . . 4449 1 1075 . 1 1 107 107 ILE HG23 H 1 0.81 0.03 . 1 . . . . . . . . 4449 1 1076 . 1 1 107 107 ILE HD11 H 1 0.90 0.03 . 1 . . . . . . . . 4449 1 1077 . 1 1 107 107 ILE HD12 H 1 0.90 0.03 . 1 . . . . . . . . 4449 1 1078 . 1 1 107 107 ILE HD13 H 1 0.90 0.03 . 1 . . . . . . . . 4449 1 1079 . 1 1 107 107 ILE CA C 13 67.89 0.50 . 1 . . . . . . . . 4449 1 1080 . 1 1 107 107 ILE CB C 13 38.17 0.50 . 1 . . . . . . . . 4449 1 1081 . 1 1 107 107 ILE N N 15 121.53 0.25 . 1 . . . . . . . . 4449 1 1082 . 1 1 108 108 SER H H 1 8.39 0.03 . 1 . . . . . . . . 4449 1 1083 . 1 1 108 108 SER HA H 1 4.10 0.03 . 1 . . . . . . . . 4449 1 1084 . 1 1 108 108 SER HB2 H 1 3.96 0.03 . 1 . . . . . . . . 4449 1 1085 . 1 1 108 108 SER HB3 H 1 3.96 0.03 . 1 . . . . . . . . 4449 1 1086 . 1 1 108 108 SER CA C 13 61.98 0.50 . 1 . . . . . . . . 4449 1 1087 . 1 1 108 108 SER CB C 13 62.26 0.50 . 1 . . . . . . . . 4449 1 1088 . 1 1 108 108 SER N N 15 111.76 0.25 . 1 . . . . . . . . 4449 1 1089 . 1 1 109 109 LYS H H 1 7.55 0.03 . 1 . . . . . . . . 4449 1 1090 . 1 1 109 109 LYS HA H 1 4.15 0.03 . 1 . . . . . . . . 4449 1 1091 . 1 1 109 109 LYS HB2 H 1 2.06 0.03 . 1 . . . . . . . . 4449 1 1092 . 1 1 109 109 LYS HB3 H 1 2.06 0.03 . 1 . . . . . . . . 4449 1 1093 . 1 1 109 109 LYS HG2 H 1 1.52 0.03 . 1 . . . . . . . . 4449 1 1094 . 1 1 109 109 LYS HG3 H 1 1.75 0.03 . 1 . . . . . . . . 4449 1 1095 . 1 1 109 109 LYS HD2 H 1 1.81 0.03 . 1 . . . . . . . . 4449 1 1096 . 1 1 109 109 LYS HD3 H 1 1.81 0.03 . 1 . . . . . . . . 4449 1 1097 . 1 1 109 109 LYS HE2 H 1 2.99 0.03 . 1 . . . . . . . . 4449 1 1098 . 1 1 109 109 LYS HE3 H 1 2.99 0.03 . 1 . . . . . . . . 4449 1 1099 . 1 1 109 109 LYS CA C 13 57.91 0.50 . 1 . . . . . . . . 4449 1 1100 . 1 1 109 109 LYS CB C 13 32.55 0.50 . 1 . . . . . . . . 4449 1 1101 . 1 1 109 109 LYS N N 15 124.49 0.25 . 1 . . . . . . . . 4449 1 1102 . 1 1 110 110 LEU H H 1 7.59 0.03 . 1 . . . . . . . . 4449 1 1103 . 1 1 110 110 LEU HA H 1 4.11 0.03 . 1 . . . . . . . . 4449 1 1104 . 1 1 110 110 LEU HB2 H 1 1.84 0.03 . 1 . . . . . . . . 4449 1 1105 . 1 1 110 110 LEU HB3 H 1 1.84 0.03 . 1 . . . . . . . . 4449 1 1106 . 1 1 110 110 LEU HG H 1 1.46 0.03 . 1 . . . . . . . . 4449 1 1107 . 1 1 110 110 LEU HD11 H 1 0.84 0.03 . 1 . . . . . . . . 4449 1 1108 . 1 1 110 110 LEU HD12 H 1 0.84 0.03 . 1 . . . . . . . . 4449 1 1109 . 1 1 110 110 LEU HD13 H 1 0.84 0.03 . 1 . . . . . . . . 4449 1 1110 . 1 1 110 110 LEU HD21 H 1 0.81 0.03 . 1 . . . . . . . . 4449 1 1111 . 1 1 110 110 LEU HD22 H 1 0.81 0.03 . 1 . . . . . . . . 4449 1 1112 . 1 1 110 110 LEU HD23 H 1 0.81 0.03 . 1 . . . . . . . . 4449 1 1113 . 1 1 110 110 LEU CA C 13 55.69 0.50 . 1 . . . . . . . . 4449 1 1114 . 1 1 110 110 LEU CB C 13 42.70 0.50 . 1 . . . . . . . . 4449 1 1115 . 1 1 110 110 LEU N N 15 117.71 0.25 . 1 . . . . . . . . 4449 1 1116 . 1 1 111 111 VAL H H 1 6.85 0.03 . 1 . . . . . . . . 4449 1 1117 . 1 1 111 111 VAL HA H 1 3.27 0.03 . 1 . . . . . . . . 4449 1 1118 . 1 1 111 111 VAL HB H 1 2.07 0.03 . 1 . . . . . . . . 4449 1 1119 . 1 1 111 111 VAL HG11 H 1 1.01 0.03 . 1 . . . . . . . . 4449 1 1120 . 1 1 111 111 VAL HG12 H 1 1.01 0.03 . 1 . . . . . . . . 4449 1 1121 . 1 1 111 111 VAL HG13 H 1 1.01 0.03 . 1 . . . . . . . . 4449 1 1122 . 1 1 111 111 VAL HG21 H 1 1.02 0.03 . 1 . . . . . . . . 4449 1 1123 . 1 1 111 111 VAL HG22 H 1 1.02 0.03 . 1 . . . . . . . . 4449 1 1124 . 1 1 111 111 VAL HG23 H 1 1.02 0.03 . 1 . . . . . . . . 4449 1 1125 . 1 1 111 111 VAL CA C 13 65.40 0.50 . 1 . . . . . . . . 4449 1 1126 . 1 1 111 111 VAL CB C 13 31.24 0.50 . 1 . . . . . . . . 4449 1 1127 . 1 1 111 111 VAL N N 15 117.43 0.25 . 1 . . . . . . . . 4449 1 1128 . 1 1 112 112 GLY H H 1 9.45 0.03 . 1 . . . . . . . . 4449 1 1129 . 1 1 112 112 GLY HA2 H 1 3.61 0.03 . 1 . . . . . . . . 4449 1 1130 . 1 1 112 112 GLY HA3 H 1 4.51 0.03 . 1 . . . . . . . . 4449 1 1131 . 1 1 112 112 GLY CA C 13 45.18 0.50 . 1 . . . . . . . . 4449 1 1132 . 1 1 112 112 GLY N N 15 117.50 0.25 . 1 . . . . . . . . 4449 1 1133 . 1 1 113 113 MET H H 1 8.76 0.03 . 1 . . . . . . . . 4449 1 1134 . 1 1 113 113 MET HA H 1 4.50 0.03 . 1 . . . . . . . . 4449 1 1135 . 1 1 113 113 MET HB2 H 1 2.27 0.03 . 1 . . . . . . . . 4449 1 1136 . 1 1 113 113 MET HB3 H 1 2.27 0.03 . 1 . . . . . . . . 4449 1 1137 . 1 1 113 113 MET HG2 H 1 2.44 0.03 . 1 . . . . . . . . 4449 1 1138 . 1 1 113 113 MET HG3 H 1 2.77 0.03 . 1 . . . . . . . . 4449 1 1139 . 1 1 113 113 MET HE1 H 1 1.00 0.03 . 1 . . . . . . . . 4449 1 1140 . 1 1 113 113 MET HE2 H 1 1.00 0.03 . 1 . . . . . . . . 4449 1 1141 . 1 1 113 113 MET HE3 H 1 1.00 0.03 . 1 . . . . . . . . 4449 1 1142 . 1 1 113 113 MET CA C 13 56.75 0.50 . 1 . . . . . . . . 4449 1 1143 . 1 1 113 113 MET CB C 13 33.11 0.50 . 1 . . . . . . . . 4449 1 1144 . 1 1 113 113 MET N N 15 122.55 0.25 . 1 . . . . . . . . 4449 1 1145 . 1 1 114 114 GLN H H 1 8.97 0.03 . 1 . . . . . . . . 4449 1 1146 . 1 1 114 114 GLN HA H 1 5.34 0.03 . 1 . . . . . . . . 4449 1 1147 . 1 1 114 114 GLN HB2 H 1 1.77 0.03 . 1 . . . . . . . . 4449 1 1148 . 1 1 114 114 GLN HB3 H 1 1.77 0.03 . 1 . . . . . . . . 4449 1 1149 . 1 1 114 114 GLN HG2 H 1 2.28 0.03 . 1 . . . . . . . . 4449 1 1150 . 1 1 114 114 GLN HG3 H 1 2.06 0.03 . 1 . . . . . . . . 4449 1 1151 . 1 1 114 114 GLN HE21 H 1 6.92 0.03 . 1 . . . . . . . . 4449 1 1152 . 1 1 114 114 GLN HE22 H 1 7.61 0.03 . 1 . . . . . . . . 4449 1 1153 . 1 1 114 114 GLN CA C 13 54.31 0.50 . 1 . . . . . . . . 4449 1 1154 . 1 1 114 114 GLN CB C 13 32.43 0.50 . 1 . . . . . . . . 4449 1 1155 . 1 1 114 114 GLN N N 15 118.96 0.25 . 1 . . . . . . . . 4449 1 1156 . 1 1 114 114 GLN NE2 N 15 112.22 0.25 . 1 . . . . . . . . 4449 1 1157 . 1 1 115 115 VAL H H 1 7.53 0.03 . 1 . . . . . . . . 4449 1 1158 . 1 1 115 115 VAL HA H 1 5.37 0.03 . 1 . . . . . . . . 4449 1 1159 . 1 1 115 115 VAL HB H 1 2.52 0.03 . 1 . . . . . . . . 4449 1 1160 . 1 1 115 115 VAL HG11 H 1 1.12 0.03 . 1 . . . . . . . . 4449 1 1161 . 1 1 115 115 VAL HG12 H 1 1.12 0.03 . 1 . . . . . . . . 4449 1 1162 . 1 1 115 115 VAL HG13 H 1 1.12 0.03 . 1 . . . . . . . . 4449 1 1163 . 1 1 115 115 VAL HG21 H 1 1.11 0.03 . 1 . . . . . . . . 4449 1 1164 . 1 1 115 115 VAL HG22 H 1 1.11 0.03 . 1 . . . . . . . . 4449 1 1165 . 1 1 115 115 VAL HG23 H 1 1.11 0.03 . 1 . . . . . . . . 4449 1 1166 . 1 1 115 115 VAL CA C 13 59.94 0.50 . 1 . . . . . . . . 4449 1 1167 . 1 1 115 115 VAL CB C 13 33.51 0.50 . 1 . . . . . . . . 4449 1 1168 . 1 1 115 115 VAL N N 15 111.65 0.25 . 1 . . . . . . . . 4449 1 1169 . 1 1 116 116 ASN H H 1 8.64 0.03 . 1 . . . . . . . . 4449 1 1170 . 1 1 116 116 ASN HA H 1 4.71 0.03 . 1 . . . . . . . . 4449 1 1171 . 1 1 116 116 ASN HB2 H 1 2.42 0.03 . 1 . . . . . . . . 4449 1 1172 . 1 1 116 116 ASN HB3 H 1 3.27 0.03 . 1 . . . . . . . . 4449 1 1173 . 1 1 116 116 ASN HD21 H 1 7.33 0.03 . 1 . . . . . . . . 4449 1 1174 . 1 1 116 116 ASN HD22 H 1 7.40 0.03 . 1 . . . . . . . . 4449 1 1175 . 1 1 116 116 ASN CA C 13 52.02 0.50 . 1 . . . . . . . . 4449 1 1176 . 1 1 116 116 ASN CB C 13 39.35 0.50 . 1 . . . . . . . . 4449 1 1177 . 1 1 116 116 ASN N N 15 119.08 0.25 . 1 . . . . . . . . 4449 1 1178 . 1 1 116 116 ASN ND2 N 15 112.44 0.25 . 1 . . . . . . . . 4449 1 1179 . 1 1 117 117 ARG H H 1 7.89 0.03 . 1 . . . . . . . . 4449 1 1180 . 1 1 117 117 ARG HA H 1 4.43 0.03 . 1 . . . . . . . . 4449 1 1181 . 1 1 117 117 ARG HB2 H 1 1.88 0.03 . 1 . . . . . . . . 4449 1 1182 . 1 1 117 117 ARG HB3 H 1 2.13 0.03 . 1 . . . . . . . . 4449 1 1183 . 1 1 117 117 ARG HG2 H 1 1.53 0.03 . 1 . . . . . . . . 4449 1 1184 . 1 1 117 117 ARG HG3 H 1 1.63 0.03 . 1 . . . . . . . . 4449 1 1185 . 1 1 117 117 ARG HD2 H 1 3.23 0.03 . 1 . . . . . . . . 4449 1 1186 . 1 1 117 117 ARG HD3 H 1 3.23 0.03 . 1 . . . . . . . . 4449 1 1187 . 1 1 117 117 ARG HE H 1 7.22 0.03 . 0 . . . . . . . . 4449 1 1188 . 1 1 117 117 ARG CA C 13 53.60 0.50 . 1 . . . . . . . . 4449 1 1189 . 1 1 117 117 ARG CB C 13 31.93 0.50 . 1 . . . . . . . . 4449 1 1190 . 1 1 117 117 ARG N N 15 115.55 0.25 . 1 . . . . . . . . 4449 1 1191 . 1 1 117 117 ARG NE N 15 114.62 0.25 . 1 . . . . . . . . 4449 1 1192 . 1 1 118 118 ALA H H 1 8.43 0.03 . 1 . . . . . . . . 4449 1 1193 . 1 1 118 118 ALA HA H 1 4.71 0.03 . 1 . . . . . . . . 4449 1 1194 . 1 1 118 118 ALA HB1 H 1 1.16 0.03 . 1 . . . . . . . . 4449 1 1195 . 1 1 118 118 ALA HB2 H 1 1.16 0.03 . 1 . . . . . . . . 4449 1 1196 . 1 1 118 118 ALA HB3 H 1 1.16 0.03 . 1 . . . . . . . . 4449 1 1197 . 1 1 118 118 ALA CA C 13 52.23 0.50 . 1 . . . . . . . . 4449 1 1198 . 1 1 118 118 ALA CB C 13 17.71 0.50 . 1 . . . . . . . . 4449 1 1199 . 1 1 118 118 ALA N N 15 121.03 0.25 . 1 . . . . . . . . 4449 1 1200 . 1 1 119 119 VAL H H 1 8.90 0.03 . 1 . . . . . . . . 4449 1 1201 . 1 1 119 119 VAL HA H 1 4.02 0.03 . 1 . . . . . . . . 4449 1 1202 . 1 1 119 119 VAL HB H 1 1.96 0.03 . 1 . . . . . . . . 4449 1 1203 . 1 1 119 119 VAL HG11 H 1 0.82 0.03 . 1 . . . . . . . . 4449 1 1204 . 1 1 119 119 VAL HG12 H 1 0.82 0.03 . 1 . . . . . . . . 4449 1 1205 . 1 1 119 119 VAL HG13 H 1 0.82 0.03 . 1 . . . . . . . . 4449 1 1206 . 1 1 119 119 VAL HG21 H 1 1.00 0.03 . 1 . . . . . . . . 4449 1 1207 . 1 1 119 119 VAL HG22 H 1 1.00 0.03 . 1 . . . . . . . . 4449 1 1208 . 1 1 119 119 VAL HG23 H 1 1.00 0.03 . 1 . . . . . . . . 4449 1 1209 . 1 1 119 119 VAL CA C 13 61.69 0.50 . 1 . . . . . . . . 4449 1 1210 . 1 1 119 119 VAL CB C 13 34.22 0.50 . 1 . . . . . . . . 4449 1 1211 . 1 1 119 119 VAL N N 15 126.07 0.25 . 1 . . . . . . . . 4449 1 1212 . 1 1 120 120 TYR H H 1 8.16 0.03 . 1 . . . . . . . . 4449 1 1213 . 1 1 120 120 TYR HA H 1 4.43 0.03 . 1 . . . . . . . . 4449 1 1214 . 1 1 120 120 TYR HB2 H 1 2.57 0.03 . 1 . . . . . . . . 4449 1 1215 . 1 1 120 120 TYR HB3 H 1 3.14 0.03 . 1 . . . . . . . . 4449 1 1216 . 1 1 120 120 TYR HD1 H 1 7.22 0.03 . 3 . . . . . . . . 4449 1 1217 . 1 1 120 120 TYR HD2 H 1 6.95 0.03 . 3 . . . . . . . . 4449 1 1218 . 1 1 120 120 TYR HE1 H 1 6.72 0.03 . 3 . . . . . . . . 4449 1 1219 . 1 1 120 120 TYR HE2 H 1 6.71 0.03 . 3 . . . . . . . . 4449 1 1220 . 1 1 120 120 TYR CA C 13 57.80 0.50 . 1 . . . . . . . . 4449 1 1221 . 1 1 120 120 TYR CB C 13 39.33 0.50 . 1 . . . . . . . . 4449 1 1222 . 1 1 120 120 TYR N N 15 125.37 0.25 . 1 . . . . . . . . 4449 1 1223 . 1 1 121 121 LEU H H 1 8.19 0.03 . 1 . . . . . . . . 4449 1 1224 . 1 1 121 121 LEU HA H 1 3.40 0.03 . 1 . . . . . . . . 4449 1 1225 . 1 1 121 121 LEU HB2 H 1 1.71 0.03 . 1 . . . . . . . . 4449 1 1226 . 1 1 121 121 LEU HB3 H 1 1.71 0.03 . 1 . . . . . . . . 4449 1 1227 . 1 1 121 121 LEU HG H 1 1.24 0.03 . 1 . . . . . . . . 4449 1 1228 . 1 1 121 121 LEU HD11 H 1 0.82 0.03 . 1 . . . . . . . . 4449 1 1229 . 1 1 121 121 LEU HD12 H 1 0.82 0.03 . 1 . . . . . . . . 4449 1 1230 . 1 1 121 121 LEU HD13 H 1 0.82 0.03 . 1 . . . . . . . . 4449 1 1231 . 1 1 121 121 LEU HD21 H 1 0.83 0.03 . 1 . . . . . . . . 4449 1 1232 . 1 1 121 121 LEU HD22 H 1 0.83 0.03 . 1 . . . . . . . . 4449 1 1233 . 1 1 121 121 LEU HD23 H 1 0.83 0.03 . 1 . . . . . . . . 4449 1 1234 . 1 1 121 121 LEU CA C 13 57.49 0.50 . 1 . . . . . . . . 4449 1 1235 . 1 1 121 121 LEU CB C 13 42.42 0.50 . 1 . . . . . . . . 4449 1 1236 . 1 1 121 121 LEU N N 15 120.00 0.25 . 1 . . . . . . . . 4449 1 1237 . 1 1 122 122 ASP H H 1 8.59 0.03 . 1 . . . . . . . . 4449 1 1238 . 1 1 122 122 ASP HA H 1 4.39 0.03 . 1 . . . . . . . . 4449 1 1239 . 1 1 122 122 ASP HB2 H 1 2.98 0.03 . 1 . . . . . . . . 4449 1 1240 . 1 1 122 122 ASP HB3 H 1 2.67 0.03 . 1 . . . . . . . . 4449 1 1241 . 1 1 122 122 ASP CA C 13 57.65 0.50 . 1 . . . . . . . . 4449 1 1242 . 1 1 122 122 ASP CB C 13 38.36 0.50 . 1 . . . . . . . . 4449 1 1243 . 1 1 122 122 ASP N N 15 120.21 0.25 . 1 . . . . . . . . 4449 1 1244 . 1 1 123 123 GLN H H 1 8.46 0.03 . 1 . . . . . . . . 4449 1 1245 . 1 1 123 123 GLN HA H 1 4.47 0.03 . 1 . . . . . . . . 4449 1 1246 . 1 1 123 123 GLN HB2 H 1 2.11 0.03 . 1 . . . . . . . . 4449 1 1247 . 1 1 123 123 GLN HB3 H 1 2.25 0.03 . 1 . . . . . . . . 4449 1 1248 . 1 1 123 123 GLN HG2 H 1 2.45 0.03 . 1 . . . . . . . . 4449 1 1249 . 1 1 123 123 GLN HG3 H 1 2.45 0.03 . 1 . . . . . . . . 4449 1 1250 . 1 1 123 123 GLN HE21 H 1 6.92 0.03 . 1 . . . . . . . . 4449 1 1251 . 1 1 123 123 GLN HE22 H 1 7.61 0.03 . 1 . . . . . . . . 4449 1 1252 . 1 1 123 123 GLN CA C 13 53.24 0.50 . 1 . . . . . . . . 4449 1 1253 . 1 1 123 123 GLN CB C 13 29.54 0.50 . 1 . . . . . . . . 4449 1 1254 . 1 1 123 123 GLN N N 15 121.66 0.25 . 1 . . . . . . . . 4449 1 1255 . 1 1 123 123 GLN NE2 N 15 112.22 0.25 . 1 . . . . . . . . 4449 1 1256 . 1 1 124 124 THR H H 1 8.66 0.03 . 1 . . . . . . . . 4449 1 1257 . 1 1 124 124 THR HA H 1 4.21 0.03 . 1 . . . . . . . . 4449 1 1258 . 1 1 124 124 THR HB H 1 3.94 0.03 . 1 . . . . . . . . 4449 1 1259 . 1 1 124 124 THR HG1 H 1 6.22 0.03 . 0 . . . . . . . . 4449 1 1260 . 1 1 124 124 THR HG21 H 1 1.15 0.03 . 1 . . . . . . . . 4449 1 1261 . 1 1 124 124 THR HG22 H 1 1.15 0.03 . 1 . . . . . . . . 4449 1 1262 . 1 1 124 124 THR HG23 H 1 1.15 0.03 . 1 . . . . . . . . 4449 1 1263 . 1 1 124 124 THR CA C 13 63.46 0.50 . 1 . . . . . . . . 4449 1 1264 . 1 1 124 124 THR CB C 13 69.11 0.50 . 1 . . . . . . . . 4449 1 1265 . 1 1 124 124 THR N N 15 123.62 0.25 . 1 . . . . . . . . 4449 1 1266 . 1 1 125 125 LEU H H 1 9.16 0.03 . 1 . . . . . . . . 4449 1 1267 . 1 1 125 125 LEU HA H 1 4.42 0.03 . 1 . . . . . . . . 4449 1 1268 . 1 1 125 125 LEU HB2 H 1 1.52 0.03 . 1 . . . . . . . . 4449 1 1269 . 1 1 125 125 LEU HB3 H 1 1.14 0.03 . 1 . . . . . . . . 4449 1 1270 . 1 1 125 125 LEU HG H 1 1.36 0.03 . 1 . . . . . . . . 4449 1 1271 . 1 1 125 125 LEU HD11 H 1 0.83 0.03 . 1 . . . . . . . . 4449 1 1272 . 1 1 125 125 LEU HD12 H 1 0.83 0.03 . 1 . . . . . . . . 4449 1 1273 . 1 1 125 125 LEU HD13 H 1 0.83 0.03 . 1 . . . . . . . . 4449 1 1274 . 1 1 125 125 LEU HD21 H 1 0.66 0.03 . 1 . . . . . . . . 4449 1 1275 . 1 1 125 125 LEU HD22 H 1 0.66 0.03 . 1 . . . . . . . . 4449 1 1276 . 1 1 125 125 LEU HD23 H 1 0.66 0.03 . 1 . . . . . . . . 4449 1 1277 . 1 1 125 125 LEU CA C 13 55.23 0.50 . 1 . . . . . . . . 4449 1 1278 . 1 1 125 125 LEU CB C 13 42.12 0.50 . 1 . . . . . . . . 4449 1 1279 . 1 1 125 125 LEU N N 15 130.83 0.25 . 1 . . . . . . . . 4449 1 1280 . 1 1 126 126 MET H H 1 8.12 0.03 . 1 . . . . . . . . 4449 1 1281 . 1 1 126 126 MET HA H 1 5.01 0.03 . 1 . . . . . . . . 4449 1 1282 . 1 1 126 126 MET HB2 H 1 1.89 0.03 . 1 . . . . . . . . 4449 1 1283 . 1 1 126 126 MET HB3 H 1 2.26 0.03 . 1 . . . . . . . . 4449 1 1284 . 1 1 126 126 MET HG2 H 1 2.57 0.03 . 1 . . . . . . . . 4449 1 1285 . 1 1 126 126 MET HG3 H 1 2.93 0.03 . 1 . . . . . . . . 4449 1 1286 . 1 1 126 126 MET HE1 H 1 2.17 0.03 . 1 . . . . . . . . 4449 1 1287 . 1 1 126 126 MET HE2 H 1 2.17 0.03 . 1 . . . . . . . . 4449 1 1288 . 1 1 126 126 MET HE3 H 1 2.17 0.03 . 1 . . . . . . . . 4449 1 1289 . 1 1 126 126 MET CA C 13 51.37 0.50 . 1 . . . . . . . . 4449 1 1290 . 1 1 126 126 MET CB C 13 31.62 0.50 . 1 . . . . . . . . 4449 1 1291 . 1 1 126 126 MET N N 15 127.04 0.25 . 1 . . . . . . . . 4449 1 1292 . 1 1 127 127 PRO HA H 1 3.65 0.03 . 1 . . . . . . . . 4449 1 1293 . 1 1 127 127 PRO HB2 H 1 2.08 0.03 . 1 . . . . . . . . 4449 1 1294 . 1 1 127 127 PRO HB3 H 1 2.08 0.03 . 1 . . . . . . . . 4449 1 1295 . 1 1 127 127 PRO HG2 H 1 2.44 0.03 . 1 . . . . . . . . 4449 1 1296 . 1 1 127 127 PRO HG3 H 1 2.44 0.03 . 1 . . . . . . . . 4449 1 1297 . 1 1 127 127 PRO CA C 13 66.00 0.50 . 1 . . . . . . . . 4449 1 1298 . 1 1 127 127 PRO CB C 13 32.57 0.50 . 1 . . . . . . . . 4449 1 1299 . 1 1 128 128 ASP H H 1 7.89 0.03 . 1 . . . . . . . . 4449 1 1300 . 1 1 128 128 ASP HA H 1 4.50 0.03 . 1 . . . . . . . . 4449 1 1301 . 1 1 128 128 ASP HB2 H 1 2.94 0.03 . 1 . . . . . . . . 4449 1 1302 . 1 1 128 128 ASP HB3 H 1 2.67 0.03 . 1 . . . . . . . . 4449 1 1303 . 1 1 128 128 ASP CA C 13 54.52 0.50 . 1 . . . . . . . . 4449 1 1304 . 1 1 128 128 ASP CB C 13 39.75 0.50 . 1 . . . . . . . . 4449 1 1305 . 1 1 128 128 ASP N N 15 110.64 0.25 . 1 . . . . . . . . 4449 1 1306 . 1 1 129 129 MET H H 1 8.13 0.03 . 1 . . . . . . . . 4449 1 1307 . 1 1 129 129 MET HA H 1 4.57 0.03 . 1 . . . . . . . . 4449 1 1308 . 1 1 129 129 MET HB2 H 1 2.11 0.03 . 1 . . . . . . . . 4449 1 1309 . 1 1 129 129 MET HB3 H 1 2.25 0.03 . 1 . . . . . . . . 4449 1 1310 . 1 1 129 129 MET HG2 H 1 2.34 0.03 . 1 . . . . . . . . 4449 1 1311 . 1 1 129 129 MET HG3 H 1 2.72 0.03 . 1 . . . . . . . . 4449 1 1312 . 1 1 129 129 MET HE1 H 1 1.86 0.03 . 1 . . . . . . . . 4449 1 1313 . 1 1 129 129 MET HE2 H 1 1.86 0.03 . 1 . . . . . . . . 4449 1 1314 . 1 1 129 129 MET HE3 H 1 1.86 0.03 . 1 . . . . . . . . 4449 1 1315 . 1 1 129 129 MET CA C 13 56.91 0.50 . 1 . . . . . . . . 4449 1 1316 . 1 1 129 129 MET CB C 13 34.12 0.50 . 1 . . . . . . . . 4449 1 1317 . 1 1 129 129 MET N N 15 118.55 0.25 . 1 . . . . . . . . 4449 1 1318 . 1 1 130 130 VAL H H 1 7.17 0.03 . 1 . . . . . . . . 4449 1 1319 . 1 1 130 130 VAL HA H 1 4.44 0.03 . 1 . . . . . . . . 4449 1 1320 . 1 1 130 130 VAL HB H 1 1.85 0.03 . 1 . . . . . . . . 4449 1 1321 . 1 1 130 130 VAL HG11 H 1 0.98 0.03 . 1 . . . . . . . . 4449 1 1322 . 1 1 130 130 VAL HG12 H 1 0.98 0.03 . 1 . . . . . . . . 4449 1 1323 . 1 1 130 130 VAL HG13 H 1 0.98 0.03 . 1 . . . . . . . . 4449 1 1324 . 1 1 130 130 VAL HG21 H 1 0.62 0.03 . 1 . . . . . . . . 4449 1 1325 . 1 1 130 130 VAL HG22 H 1 0.62 0.03 . 1 . . . . . . . . 4449 1 1326 . 1 1 130 130 VAL HG23 H 1 0.62 0.03 . 1 . . . . . . . . 4449 1 1327 . 1 1 130 130 VAL CA C 13 61.25 0.50 . 1 . . . . . . . . 4449 1 1328 . 1 1 130 130 VAL CB C 13 33.10 0.50 . 1 . . . . . . . . 4449 1 1329 . 1 1 130 130 VAL N N 15 119.00 0.25 . 1 . . . . . . . . 4449 1 1330 . 1 1 131 131 LYS H H 1 9.18 0.03 . 1 . . . . . . . . 4449 1 1331 . 1 1 131 131 LYS HA H 1 4.15 0.03 . 1 . . . . . . . . 4449 1 1332 . 1 1 131 131 LYS HB2 H 1 1.80 0.03 . 1 . . . . . . . . 4449 1 1333 . 1 1 131 131 LYS HB3 H 1 1.80 0.03 . 1 . . . . . . . . 4449 1 1334 . 1 1 131 131 LYS HG2 H 1 1.29 0.03 . 1 . . . . . . . . 4449 1 1335 . 1 1 131 131 LYS HG3 H 1 1.47 0.03 . 1 . . . . . . . . 4449 1 1336 . 1 1 131 131 LYS HD2 H 1 1.63 0.03 . 1 . . . . . . . . 4449 1 1337 . 1 1 131 131 LYS HD3 H 1 1.63 0.03 . 1 . . . . . . . . 4449 1 1338 . 1 1 131 131 LYS HE2 H 1 2.82 0.03 . 1 . . . . . . . . 4449 1 1339 . 1 1 131 131 LYS HE3 H 1 2.96 0.03 . 1 . . . . . . . . 4449 1 1340 . 1 1 131 131 LYS CA C 13 58.32 0.50 . 1 . . . . . . . . 4449 1 1341 . 1 1 131 131 LYS CB C 13 32.73 0.50 . 1 . . . . . . . . 4449 1 1342 . 1 1 131 131 LYS N N 15 129.45 0.25 . 1 . . . . . . . . 4449 1 1343 . 1 1 132 132 ASN H H 1 9.30 0.03 . 1 . . . . . . . . 4449 1 1344 . 1 1 132 132 ASN HA H 1 4.42 0.03 . 1 . . . . . . . . 4449 1 1345 . 1 1 132 132 ASN HB2 H 1 3.07 0.03 . 1 . . . . . . . . 4449 1 1346 . 1 1 132 132 ASN HB3 H 1 3.07 0.03 . 1 . . . . . . . . 4449 1 1347 . 1 1 132 132 ASN HD21 H 1 7.05 0.03 . 1 . . . . . . . . 4449 1 1348 . 1 1 132 132 ASN HD22 H 1 7.76 0.03 . 1 . . . . . . . . 4449 1 1349 . 1 1 132 132 ASN CA C 13 54.79 0.50 . 1 . . . . . . . . 4449 1 1350 . 1 1 132 132 ASN CB C 13 37.27 0.50 . 1 . . . . . . . . 4449 1 1351 . 1 1 132 132 ASN N N 15 118.59 0.25 . 1 . . . . . . . . 4449 1 1352 . 1 1 132 132 ASN ND2 N 15 114.11 0.25 . 1 . . . . . . . . 4449 1 1353 . 1 1 133 133 TYR H H 1 7.75 0.03 . 1 . . . . . . . . 4449 1 1354 . 1 1 133 133 TYR HA H 1 4.06 0.03 . 1 . . . . . . . . 4449 1 1355 . 1 1 133 133 TYR HB2 H 1 2.78 0.03 . 1 . . . . . . . . 4449 1 1356 . 1 1 133 133 TYR HB3 H 1 3.15 0.03 . 1 . . . . . . . . 4449 1 1357 . 1 1 133 133 TYR HD1 H 1 6.95 0.03 . 3 . . . . . . . . 4449 1 1358 . 1 1 133 133 TYR HD2 H 1 6.94 0.03 . 3 . . . . . . . . 4449 1 1359 . 1 1 133 133 TYR HE1 H 1 6.77 0.03 . 3 . . . . . . . . 4449 1 1360 . 1 1 133 133 TYR HE2 H 1 6.71 0.03 . 3 . . . . . . . . 4449 1 1361 . 1 1 133 133 TYR CA C 13 61.11 0.50 . 1 . . . . . . . . 4449 1 1362 . 1 1 133 133 TYR CB C 13 39.65 0.50 . 1 . . . . . . . . 4449 1 1363 . 1 1 133 133 TYR N N 15 121.24 0.25 . 1 . . . . . . . . 4449 1 1364 . 1 1 134 134 GLU H H 1 7.50 0.03 . 1 . . . . . . . . 4449 1 1365 . 1 1 134 134 GLU HA H 1 3.95 0.03 . 1 . . . . . . . . 4449 1 1366 . 1 1 134 134 GLU HB2 H 1 1.84 0.03 . 1 . . . . . . . . 4449 1 1367 . 1 1 134 134 GLU HB3 H 1 1.97 0.03 . 1 . . . . . . . . 4449 1 1368 . 1 1 134 134 GLU HG2 H 1 2.15 0.03 . 1 . . . . . . . . 4449 1 1369 . 1 1 134 134 GLU HG3 H 1 2.21 0.03 . 1 . . . . . . . . 4449 1 1370 . 1 1 134 134 GLU CA C 13 57.70 0.50 . 1 . . . . . . . . 4449 1 1371 . 1 1 134 134 GLU CB C 13 31.92 0.50 . 1 . . . . . . . . 4449 1 1372 . 1 1 134 134 GLU N N 15 128.45 0.25 . 1 . . . . . . . . 4449 1 stop_ save_ ######################## # Coupling constants # ######################## save_J_values_set_1 _Coupling_constant_list.Sf_category coupling_constants _Coupling_constant_list.Sf_framecode J_values_set_1 _Coupling_constant_list.Entry_ID 4449 _Coupling_constant_list.ID 1 _Coupling_constant_list.Sample_condition_list_ID 1 _Coupling_constant_list.Sample_condition_list_label $Ex-cond_1 _Coupling_constant_list.Spectrometer_frequency_1H 500 _Coupling_constant_list.Details . _Coupling_constant_list.Text_data_format . _Coupling_constant_list.Text_data . loop_ _Coupling_constant_experiment.Experiment_ID _Coupling_constant_experiment.Experiment_name _Coupling_constant_experiment.Sample_ID _Coupling_constant_experiment.Sample_label _Coupling_constant_experiment.Sample_state _Coupling_constant_experiment.Entry_ID _Coupling_constant_experiment.Coupling_constant_list_ID . . 2 $sample_2 . 4449 1 stop_ loop_ _Coupling_constant.ID _Coupling_constant.Code _Coupling_constant.Assembly_atom_ID_1 _Coupling_constant.Entity_assembly_ID_1 _Coupling_constant.Entity_ID_1 _Coupling_constant.Comp_index_ID_1 _Coupling_constant.Seq_ID_1 _Coupling_constant.Comp_ID_1 _Coupling_constant.Atom_ID_1 _Coupling_constant.Atom_type_1 _Coupling_constant.Atom_isotope_number_1 _Coupling_constant.Ambiguity_code_1 _Coupling_constant.Assembly_atom_ID_2 _Coupling_constant.Entity_assembly_ID_2 _Coupling_constant.Entity_ID_2 _Coupling_constant.Comp_index_ID_2 _Coupling_constant.Seq_ID_2 _Coupling_constant.Comp_ID_2 _Coupling_constant.Atom_ID_2 _Coupling_constant.Atom_type_2 _Coupling_constant.Atom_isotope_number_2 _Coupling_constant.Ambiguity_code_2 _Coupling_constant.Val _Coupling_constant.Val_min _Coupling_constant.Val_max _Coupling_constant.Val_err _Coupling_constant.Resonance_ID_1 _Coupling_constant.Resonance_ID_2 _Coupling_constant.Auth_entity_assembly_ID_1 _Coupling_constant.Auth_seq_ID_1 _Coupling_constant.Auth_comp_ID_1 _Coupling_constant.Auth_atom_ID_1 _Coupling_constant.Auth_entity_assembly_ID_2 _Coupling_constant.Auth_seq_ID_2 _Coupling_constant.Auth_comp_ID_2 _Coupling_constant.Auth_atom_ID_2 _Coupling_constant.Details _Coupling_constant.Entry_ID _Coupling_constant.Coupling_constant_list_ID 1 3JHNHA . 1 1 3 3 ALA H . . . . 1 1 3 3 ALA HA . . . 4.4 . . . . . . . . . . . . . . 4449 1 2 3JHNHA . 1 1 4 4 SER H . . . . 1 1 4 4 SER HA . . . 8.4 . . . . . . . . . . . . . . 4449 1 3 3JHNHA . 1 1 5 5 VAL H . . . . 1 1 5 5 VAL HA . . . 6.5 . . . . . . . . . . . . . . 4449 1 4 3JHNHA . 1 1 6 6 VAL H . . . . 1 1 6 6 VAL HA . . . 8.1 . . . . . . . . . . . . . . 4449 1 5 3JHNHA . 1 1 7 7 ALA H . . . . 1 1 7 7 ALA HA . . . 3.8 . . . . . . . . . . . . . . 4449 1 6 3JHNHA . 1 1 8 8 ASN H . . . . 1 1 8 8 ASN HA . . . 7.7 . . . . . . . . . . . . . . 4449 1 7 3JHNHA . 1 1 9 9 GLN H . . . . 1 1 9 9 GLN HA . . . 5.8 . . . . . . . . . . . . . . 4449 1 8 3JHNHA . 1 1 11 11 ILE H . . . . 1 1 11 11 ILE HA . . . 8.4 . . . . . . . . . . . . . . 4449 1 9 3JHNHA . 1 1 16 16 ALA H . . . . 1 1 16 16 ALA HA . . . 5.4 . . . . . . . . . . . . . . 4449 1 10 3JHNHA . 1 1 18 18 THR H . . . . 1 1 18 18 THR HA . . . 7.8 . . . . . . . . . . . . . . 4449 1 11 3JHNHA . 1 1 20 20 ILE H . . . . 1 1 20 20 ILE HA . . . 3.8 . . . . . . . . . . . . . . 4449 1 12 3JHNHA . 1 1 21 21 MET H . . . . 1 1 21 21 MET HA . . . 4.6 . . . . . . . . . . . . . . 4449 1 13 3JHNHA . 1 1 23 23 LYS H . . . . 1 1 23 23 LYS HA . . . 8.1 . . . . . . . . . . . . . . 4449 1 14 3JHNHA . 1 1 24 24 ALA H . . . . 1 1 24 24 ALA HA . . . 7.1 . . . . . . . . . . . . . . 4449 1 15 3JHNHA . 1 1 25 25 GLU H . . . . 1 1 25 25 GLU HA . . . 7.6 . . . . . . . . . . . . . . 4449 1 16 3JHNHA . 1 1 26 26 VAL H . . . . 1 1 26 26 VAL HA . . . 5.9 . . . . . . . . . . . . . . 4449 1 17 3JHNHA . 1 1 28 28 THR H . . . . 1 1 28 28 THR HA . . . 8.8 . . . . . . . . . . . . . . 4449 1 18 3JHNHA . 1 1 30 30 MET H . . . . 1 1 30 30 MET HA . . . 4.1 . . . . . . . . . . . . . . 4449 1 19 3JHNHA . 1 1 35 35 GLU H . . . . 1 1 35 35 GLU HA . . . 3.4 . . . . . . . . . . . . . . 4449 1 20 3JHNHA . 1 1 36 36 GLU H . . . . 1 1 36 36 GLU HA . . . 7.4 . . . . . . . . . . . . . . 4449 1 21 3JHNHA . 1 1 39 39 ASN H . . . . 1 1 39 39 ASN HA . . . 7.6 . . . . . . . . . . . . . . 4449 1 22 3JHNHA . 1 1 40 40 LEU H . . . . 1 1 40 40 LEU HA . . . 6.2 . . . . . . . . . . . . . . 4449 1 23 3JHNHA . 1 1 41 41 VAL H . . . . 1 1 41 41 VAL HA . . . 3.4 . . . . . . . . . . . . . . 4449 1 24 3JHNHA . 1 1 43 43 MET H . . . . 1 1 43 43 MET HA . . . 5.9 . . . . . . . . . . . . . . 4449 1 25 3JHNHA . 1 1 44 44 GLN H . . . . 1 1 44 44 GLN HA . . . 7.2 . . . . . . . . . . . . . . 4449 1 26 3JHNHA . 1 1 45 45 VAL H . . . . 1 1 45 45 VAL HA . . . 7.0 . . . . . . . . . . . . . . 4449 1 27 3JHNHA . 1 1 46 46 ASN H . . . . 1 1 46 46 ASN HA . . . 7.8 . . . . . . . . . . . . . . 4449 1 28 3JHNHA . 1 1 48 48 ALA H . . . . 1 1 48 48 ALA HA . . . 3.8 . . . . . . . . . . . . . . 4449 1 29 3JHNHA . 1 1 49 49 VAL H . . . . 1 1 49 49 VAL HA . . . 8.6 . . . . . . . . . . . . . . 4449 1 30 3JHNHA . 1 1 53 53 THR H . . . . 1 1 53 53 THR HA . . . 5.7 . . . . . . . . . . . . . . 4449 1 31 3JHNHA . 1 1 54 54 THR H . . . . 1 1 54 54 THR HA . . . 4.3 . . . . . . . . . . . . . . 4449 1 32 3JHNHA . 1 1 55 55 LEU H . . . . 1 1 55 55 LEU HA . . . 6.5 . . . . . . . . . . . . . . 4449 1 33 3JHNHA . 1 1 56 56 MET H . . . . 1 1 56 56 MET HA . . . 6.9 . . . . . . . . . . . . . . 4449 1 34 3JHNHA . 1 1 58 58 ASP H . . . . 1 1 58 58 ASP HA . . . 5.3 . . . . . . . . . . . . . . 4449 1 35 3JHNHA . 1 1 60 60 VAL H . . . . 1 1 60 60 VAL HA . . . 8.2 . . . . . . . . . . . . . . 4449 1 36 3JHNHA . 1 1 61 61 LYS H . . . . 1 1 61 61 LYS HA . . . 4.2 . . . . . . . . . . . . . . 4449 1 37 3JHNHA . 1 1 62 62 ASN H . . . . 1 1 62 62 ASN HA . . . 7.0 . . . . . . . . . . . . . . 4449 1 38 3JHNHA . 1 1 63 63 TYR H . . . . 1 1 63 63 TYR HA . . . 4.0 . . . . . . . . . . . . . . 4449 1 39 3JHNHA . 1 1 65 65 ASP H . . . . 1 1 65 65 ASP HA . . . 6.2 . . . . . . . . . . . . . . 4449 1 40 3JHNHA . 1 1 67 67 THR H . . . . 1 1 67 67 THR HA . . . 7.2 . . . . . . . . . . . . . . 4449 1 41 3JHNHA . 1 1 68 68 THR H . . . . 1 1 68 68 THR HA . . . 7.6 . . . . . . . . . . . . . . 4449 1 42 3JHNHA . 1 1 69 69 SER H . . . . 1 1 69 69 SER HA . . . 6.0 . . . . . . . . . . . . . . 4449 1 43 3JHNHA . 1 1 72 72 LEU H . . . . 1 1 72 72 LEU HA . . . 6.0 . . . . . . . . . . . . . . 4449 1 44 3JHNHA . 1 1 73 73 LYS H . . . . 1 1 73 73 LYS HA . . . 6.8 . . . . . . . . . . . . . . 4449 1 45 3JHNHA . 1 1 75 75 VAL H . . . . 1 1 75 75 VAL HA . . . 4.7 . . . . . . . . . . . . . . 4449 1 46 3JHNHA . 1 1 76 76 VAL H . . . . 1 1 76 76 VAL HA . . . 9.1 . . . . . . . . . . . . . . 4449 1 47 3JHNHA . 1 1 77 77 ALA H . . . . 1 1 77 77 ALA HA . . . 4.2 . . . . . . . . . . . . . . 4449 1 48 3JHNHA . 1 1 78 78 ASN H . . . . 1 1 78 78 ASN HA . . . 7.1 . . . . . . . . . . . . . . 4449 1 49 3JHNHA . 1 1 79 79 GLN H . . . . 1 1 79 79 GLN HA . . . 4.8 . . . . . . . . . . . . . . 4449 1 50 3JHNHA . 1 1 81 81 ILE H . . . . 1 1 81 81 ILE HA . . . 8.1 . . . . . . . . . . . . . . 4449 1 51 3JHNHA . 1 1 84 84 ASN H . . . . 1 1 84 84 ASN HA . . . 6.8 . . . . . . . . . . . . . . 4449 1 52 3JHNHA . 1 1 85 85 THR H . . . . 1 1 85 85 THR HA . . . 4.5 . . . . . . . . . . . . . . 4449 1 53 3JHNHA . 1 1 86 86 ALA H . . . . 1 1 86 86 ALA HA . . . 5.4 . . . . . . . . . . . . . . 4449 1 54 3JHNHA . 1 1 88 88 THR H . . . . 1 1 88 88 THR HA . . . 8.9 . . . . . . . . . . . . . . 4449 1 55 3JHNHA . 1 1 89 89 LEU H . . . . 1 1 89 89 LEU HA . . . 2.5 . . . . . . . . . . . . . . 4449 1 56 3JHNHA . 1 1 90 90 VAL H . . . . 1 1 90 90 VAL HA . . . 4.6 . . . . . . . . . . . . . . 4449 1 57 3JHNHA . 1 1 92 92 MET H . . . . 1 1 92 92 MET HA . . . 7.9 . . . . . . . . . . . . . . 4449 1 58 3JHNHA . 1 1 93 93 LYS H . . . . 1 1 93 93 LYS HA . . . 7.9 . . . . . . . . . . . . . . 4449 1 59 3JHNHA . 1 1 94 94 ALA H . . . . 1 1 94 94 ALA HA . . . 7.3 . . . . . . . . . . . . . . 4449 1 60 3JHNHA . 1 1 95 95 GLU H . . . . 1 1 95 95 GLU HA . . . 7.9 . . . . . . . . . . . . . . 4449 1 61 3JHNHA . 1 1 96 96 GLU H . . . . 1 1 96 96 GLU HA . . . 5.6 . . . . . . . . . . . . . . 4449 1 62 3JHNHA . 1 1 97 97 VAL H . . . . 1 1 97 97 VAL HA . . . 6.8 . . . . . . . . . . . . . . 4449 1 63 3JHNHA . 1 1 98 98 SER H . . . . 1 1 98 98 SER HA . . . 8.2 . . . . . . . . . . . . . . 4449 1 64 3JHNHA . 1 1 100 100 LYS H . . . . 1 1 100 100 LYS HA . . . 4.4 . . . . . . . . . . . . . . 4449 1 65 3JHNHA . 1 1 105 105 GLU H . . . . 1 1 105 105 GLU HA . . . 3.6 . . . . . . . . . . . . . . 4449 1 66 3JHNHA . 1 1 106 106 GLU H . . . . 1 1 106 106 GLU HA . . . 8.2 . . . . . . . . . . . . . . 4449 1 67 3JHNHA . 1 1 108 108 SER H . . . . 1 1 108 108 SER HA . . . 3.2 . . . . . . . . . . . . . . 4449 1 68 3JHNHA . 1 1 109 109 LYS H . . . . 1 1 109 109 LYS HA . . . 6.3 . . . . . . . . . . . . . . 4449 1 69 3JHNHA . 1 1 111 111 VAL H . . . . 1 1 111 111 VAL HA . . . 3.0 . . . . . . . . . . . . . . 4449 1 70 3JHNHA . 1 1 113 113 MET H . . . . 1 1 113 113 MET HA . . . 6.3 . . . . . . . . . . . . . . 4449 1 71 3JHNHA . 1 1 115 115 VAL H . . . . 1 1 115 115 VAL HA . . . 5.5 . . . . . . . . . . . . . . 4449 1 72 3JHNHA . 1 1 117 117 ARG H . . . . 1 1 117 117 ARG HA . . . 5.7 . . . . . . . . . . . . . . 4449 1 73 3JHNHA . 1 1 119 119 VAL H . . . . 1 1 119 119 VAL HA . . . 9.2 . . . . . . . . . . . . . . 4449 1 74 3JHNHA . 1 1 120 120 TYR H . . . . 1 1 120 120 TYR HA . . . 7.2 . . . . . . . . . . . . . . 4449 1 75 3JHNHA . 1 1 121 121 LEU H . . . . 1 1 121 121 LEU HA . . . 2.4 . . . . . . . . . . . . . . 4449 1 76 3JHNHA . 1 1 122 122 ASP H . . . . 1 1 122 122 ASP HA . . . 4.8 . . . . . . . . . . . . . . 4449 1 77 3JHNHA . 1 1 125 125 LEU H . . . . 1 1 125 125 LEU HA . . . 7.0 . . . . . . . . . . . . . . 4449 1 78 3JHNHA . 1 1 126 126 MET H . . . . 1 1 126 126 MET HA . . . 6.7 . . . . . . . . . . . . . . 4449 1 79 3JHNHA . 1 1 128 128 ASP H . . . . 1 1 128 128 ASP HA . . . 5.4 . . . . . . . . . . . . . . 4449 1 80 3JHNHA . 1 1 134 134 GLU H . . . . 1 1 134 134 GLU HA . . . 6.8 . . . . . . . . . . . . . . 4449 1 stop_ save_