data_4417 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4417 _Entry.Title ; 1H, 13C and 15N Chemical Shift Assignments of the Birch Pollen Allergen Bet v 1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 1999-09-21 _Entry.Accession_date 1999-09-21 _Entry.Last_release_date 2000-01-11 _Entry.Original_release_date 2000-01-11 _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 Kristian Schweimer . . . 4417 2 Heinrich Sticht . . . 4417 3 Markus Boehm . . . 4417 4 Paul Roesch . . . 4417 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 4417 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 565 4417 '15N chemical shifts' 152 4417 '1H chemical shifts' 932 4417 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 . . 2000-01-11 1999-09-21 original author . 4417 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4417 _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 ; NMR Spectroscopy Reveals Common Structural Features of the Birch Pollen Allergen Bet v 1 and the Cherry Allergen Pru a 1 ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Appl. Magn. Reson.' _Citation.Journal_name_full 'Applied Magnetic Resonance' _Citation.Journal_volume 17 _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 449 _Citation.Page_last 646 _Citation.Year 1999 _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 K. Schweimer . . . 4417 1 2 H. Sticht . . . 4417 1 3 J. Nerkamp . . . 4417 1 4 M. Boehm . . . 4417 1 5 M. Breitenbach . . . 4417 1 6 S. Vieths . . . 4417 1 7 P. Roesch . . . 4417 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'major birch pollen allergen' 4417 1 'NMR Structure' 4417 1 'pathogenesis-related protein' 4417 1 stop_ save_ save_citation_one _Citation.Sf_category citations _Citation.Sf_framecode citation_one _Citation.Entry_ID 4417 _Citation.ID 2 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 8589602 _Citation.Full_citation ; Wishart, D. S., Bigam, C. G., Yao, J., Abildgaard, F., Dyson, H. J., Oldfield, E., Markley, J. L., and Sykes, B. D. J. Biomol. NMR 6, 135-140 (1995). ; _Citation.Title '1H, 13C and 15N chemical shift referencing in biomolecular NMR.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full 'Journal of biomolecular NMR' _Citation.Journal_volume 6 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN 0925-2738 _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 135 _Citation.Page_last 140 _Citation.Year 1995 _Citation.Details ; A considerable degree of variability exists in the way that 1H, 13C and 15N chemical shifts are reported and referenced for biomolecules. In this article we explore some of the reasons for this situation and propose guidelines for future chemical shift referencing and for conversion from many common 1H, 13C and 15N chemical shift standards, now used in biomolecular NMR, to those proposed here. ; 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 'D. S.' Wishart D. S. . 4417 2 2 'C. G.' Bigam C. G. . 4417 2 3 J. Yao J. . . 4417 2 4 F. Abildgaard F. . . 4417 2 5 'H. J.' Dyson H. J. . 4417 2 6 E. Oldfield E. . . 4417 2 7 'J. L.' Markley J. L. . 4417 2 8 'B. D.' Sykes B. D. . 4417 2 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_Bet_v_1-L _Assembly.Sf_category assembly _Assembly.Sf_framecode system_Bet_v_1-L _Assembly.Entry_ID 4417 _Assembly.ID 1 _Assembly.Name 'Major Pollen Allergen Bet v 1-L' _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 monomer 4417 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 'Bet v 1-L' 1 $Bet_v_1-L . . . native . . . . . 4417 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'Bet v 1-L' abbreviation 4417 1 'Major Pollen Allergen Bet v 1-L' system 4417 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Bet_v_1-L _Entity.Sf_category entity _Entity.Sf_framecode Bet_v_1-L _Entity.Entry_ID 4417 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Major Pollen Allergen Bet v 1-L' _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 ; GVFNYETETTSVIPAARLFK AFILDGDNLFPKVAPQAISS VENIEGNGGPGTIKKISFPE GFPFKYVKDRVDEVDHTNFK YNYSVIEGGPIGDTLEKISN EIKIVATPDGGSILKISNKY HTKGDHEVKAEQVKASKELG ETLLRAVESYLLAHSDAYN ; _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 159 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _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 PDB 1B6F . "Birch Pollen Allergen Bet V 1" . . . . . 100.00 159 100.00 100.00 4.22e-109 . . . . 4417 1 2 no PDB 1BTV . "Structure Of Bet V 1, Nmr, 20 Structures" . . . . . 100.00 159 98.74 99.37 2.53e-108 . . . . 4417 1 3 no PDB 1BV1 . "Birch Pollen Allergen Bet V 1" . . . . . 100.00 159 98.74 99.37 2.53e-108 . . . . 4417 1 4 no PDB 1FSK . "Complex Formation Between A Fab Fragment Of A Monoclonal Igg Antibody And The Major Allergen From Birch Pollen Bet V 1" . . . . . 100.00 159 98.74 99.37 2.53e-108 . . . . 4417 1 5 no PDB 1LLT . "Birch Pollen Allergen Bet V 1 Mutant E45s" . . . . . 100.00 159 98.11 98.74 1.49e-107 . . . . 4417 1 6 no PDB 4A80 . "Crystal Structure Of Major Birch Pollen Allergen Bet V 1 A In Complex With 8-Anilinonaphthalene-1-Sulfonate (Ans)" . . . . . 100.00 159 99.37 100.00 6.05e-109 . . . . 4417 1 7 no PDB 4A81 . "Crystal Structure Of Major Birch Pollen Allergen Bet V 1 A In Ternary Complex With 8-Anilinonaphthalene-1-Sulfonate ( Ans) And " . . . . . 100.00 159 99.37 100.00 6.05e-109 . . . . 4417 1 8 no PDB 4A83 . "Crystal Structure Of Major Birch Pollen Allergen Bet V 1 A In Complex With Deoxycholate." . . . . . 100.00 159 99.37 100.00 6.05e-109 . . . . 4417 1 9 no PDB 4A84 . "Crystal Structure Of Major Birch Pollen Allergen Bet V 1 A F30v Mutant In Complex With Deoxycholate" . . . . . 100.00 159 98.74 99.37 5.27e-108 . . . . 4417 1 10 no PDB 4A85 . "Crystal Structure Of Major Birch Pollen Allergen Bet V 1 A In Complex With Kinetin." . . . . . 100.00 159 99.37 100.00 6.05e-109 . . . . 4417 1 11 no PDB 4A86 . "Crystal Structure Of Major Birch Pollen Allergen Bet V 1 A In Ternary Complex With Kinetin And 8-Anilinonaphthalene-1- Sulfonat" . . . . . 100.00 159 99.37 100.00 6.05e-109 . . . . 4417 1 12 no PDB 4A87 . "Crystal Structure Of Major Birch Pollen Allergen Bet V 1 A In Complex With Naringenin." . . . . . 100.00 159 99.37 100.00 6.05e-109 . . . . 4417 1 13 no PDB 4A88 . "Crystal Structure Of Native Major Birch Pollen Allergen Bet V 1 Isoform A" . . . . . 100.00 159 99.37 100.00 6.05e-109 . . . . 4417 1 14 no PDB 4A8G . "Crystal Structure Of Major Birch Pollen Allergen Bet V 1 A In Complex With Dimethylbenzylammonium Propane Sulfonate" . . . . . 100.00 159 99.37 100.00 6.05e-109 . . . . 4417 1 15 no PDB 4BK6 . "Crystal Structure Of A Dimeric Variant Of Bet V 1" . . . . . 100.00 159 98.74 99.37 5.04e-108 . . . . 4417 1 16 no PDB 4BK7 . "Crystal Structure Of A Variant Of The Major Birch Pollen Allergen Bet V 1" . . . . . 100.00 159 98.74 100.00 2.04e-108 . . . . 4417 1 17 no PDB 4BKC . "Crystal Structure Of A Unusually Linked Dimeric Variant Of Bet V 1" . . . . . 100.63 160 98.13 98.75 3.47e-106 . . . . 4417 1 18 no PDB 4BKD . "Crystal Structure Of An Unusually Linked Dimeric Variant Of Bet V 1 (b)" . . . . . 100.00 159 98.74 99.37 1.06e-107 . . . . 4417 1 19 no PDB 4MNS . "Crystal Structure Of The Major Pollen Allergen Bet V 1-a In Complex With P303" . . . . . 100.00 159 99.37 100.00 6.05e-109 . . . . 4417 1 20 no PDB 4QIP . "Crystal Structure Of Major Birch Pollen Allergen Bet V 1 Isoform A In Complex With Sodium Dodecyl Sulfate" . . . . . 100.00 159 99.37 100.00 6.05e-109 . . . . 4417 1 21 no EMBL CAA04825 . "pollen allergen, Betv1 [Betula pendula]" . . . . . 100.00 159 99.37 100.00 6.05e-109 . . . . 4417 1 22 no EMBL CAA05187 . "pollen allergen Betv1 [Betula pendula]" . . . . . 100.00 160 98.74 100.00 7.06e-109 . . . . 4417 1 23 no EMBL CAA05188 . "pollen allergen Betv1 [Betula pendula]" . . . . . 100.00 160 98.74 99.37 3.88e-108 . . . . 4417 1 24 no EMBL CAA05189 . "pollen allergen Betv1 [Betula pendula]" . . . . . 100.00 160 98.74 100.00 7.06e-109 . . . . 4417 1 25 no EMBL CAA07319 . "pollen allergen Betv1, isoform at10 [Betula pendula]" . . . . . 100.00 160 97.48 98.74 1.11e-106 . . . . 4417 1 26 no GB AAD26561 . "isoallergen Bet v 1 b2 [Betula pendula]" . . . . . 100.00 160 98.11 98.74 6.37e-107 . . . . 4417 1 27 no GB ABC41579 . "major allergen Bet v 1.01A, partial [Betula pendula]" . . . . . 94.34 150 99.33 100.00 1.20e-101 . . . . 4417 1 28 no GB ABC41580 . "major allergen Bet v 1.01A, partial [Betula pendula]" . . . . . 94.34 150 98.67 100.00 2.13e-101 . . . . 4417 1 29 no GB ABC41581 . "major allergen Bet v 1.01A, partial [Betula pendula]" . . . . . 94.34 150 98.00 100.00 1.06e-100 . . . . 4417 1 30 no GB ABC41611 . "major allergen Bet v 1.01A, partial [Betula pendula]" . . . . . 94.34 150 98.67 100.00 2.13e-101 . . . . 4417 1 31 no SP P15494 . "RecName: Full=Major pollen allergen Bet v 1-A; AltName: Full=Allergen Bet v I-A; AltName: Allergen=Bet v 1-A" . . . . . 100.00 160 99.37 100.00 3.91e-109 . . . . 4417 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Bet v 1-L' abbreviation 4417 1 M139L variant 4417 1 'Major Pollen Allergen Bet v 1-L' common 4417 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLY . 4417 1 2 . VAL . 4417 1 3 . PHE . 4417 1 4 . ASN . 4417 1 5 . TYR . 4417 1 6 . GLU . 4417 1 7 . THR . 4417 1 8 . GLU . 4417 1 9 . THR . 4417 1 10 . THR . 4417 1 11 . SER . 4417 1 12 . VAL . 4417 1 13 . ILE . 4417 1 14 . PRO . 4417 1 15 . ALA . 4417 1 16 . ALA . 4417 1 17 . ARG . 4417 1 18 . LEU . 4417 1 19 . PHE . 4417 1 20 . LYS . 4417 1 21 . ALA . 4417 1 22 . PHE . 4417 1 23 . ILE . 4417 1 24 . LEU . 4417 1 25 . ASP . 4417 1 26 . GLY . 4417 1 27 . ASP . 4417 1 28 . ASN . 4417 1 29 . LEU . 4417 1 30 . PHE . 4417 1 31 . PRO . 4417 1 32 . LYS . 4417 1 33 . VAL . 4417 1 34 . ALA . 4417 1 35 . PRO . 4417 1 36 . GLN . 4417 1 37 . ALA . 4417 1 38 . ILE . 4417 1 39 . SER . 4417 1 40 . SER . 4417 1 41 . VAL . 4417 1 42 . GLU . 4417 1 43 . ASN . 4417 1 44 . ILE . 4417 1 45 . GLU . 4417 1 46 . GLY . 4417 1 47 . ASN . 4417 1 48 . GLY . 4417 1 49 . GLY . 4417 1 50 . PRO . 4417 1 51 . GLY . 4417 1 52 . THR . 4417 1 53 . ILE . 4417 1 54 . LYS . 4417 1 55 . LYS . 4417 1 56 . ILE . 4417 1 57 . SER . 4417 1 58 . PHE . 4417 1 59 . PRO . 4417 1 60 . GLU . 4417 1 61 . GLY . 4417 1 62 . PHE . 4417 1 63 . PRO . 4417 1 64 . PHE . 4417 1 65 . LYS . 4417 1 66 . TYR . 4417 1 67 . VAL . 4417 1 68 . LYS . 4417 1 69 . ASP . 4417 1 70 . ARG . 4417 1 71 . VAL . 4417 1 72 . ASP . 4417 1 73 . GLU . 4417 1 74 . VAL . 4417 1 75 . ASP . 4417 1 76 . HIS . 4417 1 77 . THR . 4417 1 78 . ASN . 4417 1 79 . PHE . 4417 1 80 . LYS . 4417 1 81 . TYR . 4417 1 82 . ASN . 4417 1 83 . TYR . 4417 1 84 . SER . 4417 1 85 . VAL . 4417 1 86 . ILE . 4417 1 87 . GLU . 4417 1 88 . GLY . 4417 1 89 . GLY . 4417 1 90 . PRO . 4417 1 91 . ILE . 4417 1 92 . GLY . 4417 1 93 . ASP . 4417 1 94 . THR . 4417 1 95 . LEU . 4417 1 96 . GLU . 4417 1 97 . LYS . 4417 1 98 . ILE . 4417 1 99 . SER . 4417 1 100 . ASN . 4417 1 101 . GLU . 4417 1 102 . ILE . 4417 1 103 . LYS . 4417 1 104 . ILE . 4417 1 105 . VAL . 4417 1 106 . ALA . 4417 1 107 . THR . 4417 1 108 . PRO . 4417 1 109 . ASP . 4417 1 110 . GLY . 4417 1 111 . GLY . 4417 1 112 . SER . 4417 1 113 . ILE . 4417 1 114 . LEU . 4417 1 115 . LYS . 4417 1 116 . ILE . 4417 1 117 . SER . 4417 1 118 . ASN . 4417 1 119 . LYS . 4417 1 120 . TYR . 4417 1 121 . HIS . 4417 1 122 . THR . 4417 1 123 . LYS . 4417 1 124 . GLY . 4417 1 125 . ASP . 4417 1 126 . HIS . 4417 1 127 . GLU . 4417 1 128 . VAL . 4417 1 129 . LYS . 4417 1 130 . ALA . 4417 1 131 . GLU . 4417 1 132 . GLN . 4417 1 133 . VAL . 4417 1 134 . LYS . 4417 1 135 . ALA . 4417 1 136 . SER . 4417 1 137 . LYS . 4417 1 138 . GLU . 4417 1 139 . LEU . 4417 1 140 . GLY . 4417 1 141 . GLU . 4417 1 142 . THR . 4417 1 143 . LEU . 4417 1 144 . LEU . 4417 1 145 . ARG . 4417 1 146 . ALA . 4417 1 147 . VAL . 4417 1 148 . GLU . 4417 1 149 . SER . 4417 1 150 . TYR . 4417 1 151 . LEU . 4417 1 152 . LEU . 4417 1 153 . ALA . 4417 1 154 . HIS . 4417 1 155 . SER . 4417 1 156 . ASP . 4417 1 157 . ALA . 4417 1 158 . TYR . 4417 1 159 . ASN . 4417 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 4417 1 . VAL 2 2 4417 1 . PHE 3 3 4417 1 . ASN 4 4 4417 1 . TYR 5 5 4417 1 . GLU 6 6 4417 1 . THR 7 7 4417 1 . GLU 8 8 4417 1 . THR 9 9 4417 1 . THR 10 10 4417 1 . SER 11 11 4417 1 . VAL 12 12 4417 1 . ILE 13 13 4417 1 . PRO 14 14 4417 1 . ALA 15 15 4417 1 . ALA 16 16 4417 1 . ARG 17 17 4417 1 . LEU 18 18 4417 1 . PHE 19 19 4417 1 . LYS 20 20 4417 1 . ALA 21 21 4417 1 . PHE 22 22 4417 1 . ILE 23 23 4417 1 . LEU 24 24 4417 1 . ASP 25 25 4417 1 . GLY 26 26 4417 1 . ASP 27 27 4417 1 . ASN 28 28 4417 1 . LEU 29 29 4417 1 . PHE 30 30 4417 1 . PRO 31 31 4417 1 . LYS 32 32 4417 1 . VAL 33 33 4417 1 . ALA 34 34 4417 1 . PRO 35 35 4417 1 . GLN 36 36 4417 1 . ALA 37 37 4417 1 . ILE 38 38 4417 1 . SER 39 39 4417 1 . SER 40 40 4417 1 . VAL 41 41 4417 1 . GLU 42 42 4417 1 . ASN 43 43 4417 1 . ILE 44 44 4417 1 . GLU 45 45 4417 1 . GLY 46 46 4417 1 . ASN 47 47 4417 1 . GLY 48 48 4417 1 . GLY 49 49 4417 1 . PRO 50 50 4417 1 . GLY 51 51 4417 1 . THR 52 52 4417 1 . ILE 53 53 4417 1 . LYS 54 54 4417 1 . LYS 55 55 4417 1 . ILE 56 56 4417 1 . SER 57 57 4417 1 . PHE 58 58 4417 1 . PRO 59 59 4417 1 . GLU 60 60 4417 1 . GLY 61 61 4417 1 . PHE 62 62 4417 1 . PRO 63 63 4417 1 . PHE 64 64 4417 1 . LYS 65 65 4417 1 . TYR 66 66 4417 1 . VAL 67 67 4417 1 . LYS 68 68 4417 1 . ASP 69 69 4417 1 . ARG 70 70 4417 1 . VAL 71 71 4417 1 . ASP 72 72 4417 1 . GLU 73 73 4417 1 . VAL 74 74 4417 1 . ASP 75 75 4417 1 . HIS 76 76 4417 1 . THR 77 77 4417 1 . ASN 78 78 4417 1 . PHE 79 79 4417 1 . LYS 80 80 4417 1 . TYR 81 81 4417 1 . ASN 82 82 4417 1 . TYR 83 83 4417 1 . SER 84 84 4417 1 . VAL 85 85 4417 1 . ILE 86 86 4417 1 . GLU 87 87 4417 1 . GLY 88 88 4417 1 . GLY 89 89 4417 1 . PRO 90 90 4417 1 . ILE 91 91 4417 1 . GLY 92 92 4417 1 . ASP 93 93 4417 1 . THR 94 94 4417 1 . LEU 95 95 4417 1 . GLU 96 96 4417 1 . LYS 97 97 4417 1 . ILE 98 98 4417 1 . SER 99 99 4417 1 . ASN 100 100 4417 1 . GLU 101 101 4417 1 . ILE 102 102 4417 1 . LYS 103 103 4417 1 . ILE 104 104 4417 1 . VAL 105 105 4417 1 . ALA 106 106 4417 1 . THR 107 107 4417 1 . PRO 108 108 4417 1 . ASP 109 109 4417 1 . GLY 110 110 4417 1 . GLY 111 111 4417 1 . SER 112 112 4417 1 . ILE 113 113 4417 1 . LEU 114 114 4417 1 . LYS 115 115 4417 1 . ILE 116 116 4417 1 . SER 117 117 4417 1 . ASN 118 118 4417 1 . LYS 119 119 4417 1 . TYR 120 120 4417 1 . HIS 121 121 4417 1 . THR 122 122 4417 1 . LYS 123 123 4417 1 . GLY 124 124 4417 1 . ASP 125 125 4417 1 . HIS 126 126 4417 1 . GLU 127 127 4417 1 . VAL 128 128 4417 1 . LYS 129 129 4417 1 . ALA 130 130 4417 1 . GLU 131 131 4417 1 . GLN 132 132 4417 1 . VAL 133 133 4417 1 . LYS 134 134 4417 1 . ALA 135 135 4417 1 . SER 136 136 4417 1 . LYS 137 137 4417 1 . GLU 138 138 4417 1 . LEU 139 139 4417 1 . GLY 140 140 4417 1 . GLU 141 141 4417 1 . THR 142 142 4417 1 . LEU 143 143 4417 1 . LEU 144 144 4417 1 . ARG 145 145 4417 1 . ALA 146 146 4417 1 . VAL 147 147 4417 1 . GLU 148 148 4417 1 . SER 149 149 4417 1 . TYR 150 150 4417 1 . LEU 151 151 4417 1 . LEU 152 152 4417 1 . ALA 153 153 4417 1 . HIS 154 154 4417 1 . SER 155 155 4417 1 . ASP 156 156 4417 1 . ALA 157 157 4417 1 . TYR 158 158 4417 1 . ASN 159 159 4417 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 4417 _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 $Bet_v_1-L . 3505 organism . 'Betula verrucosa' 'White Birch' . . Eukaryota Metazoa Betula verrucosa . . . . . . . Pollen . . . . . . . . . . . . . 4417 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 4417 _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 $Bet_v_1-L . 'recombinant technology' 'Escherichia coli' 'Escherichia coli' . . Escherichia coli BL21/DE3 . . . . . . . . . . . . . . . . . . . . . . 4417 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 4417 _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 'Major Pollen Allergen Bet v 1-L' '[U-95% 13C; U-95% 15N]' . . 1 $Bet_v_1-L . . . 0.7 1.1 mM . . . . 4417 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 4417 _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 'Major Pollen Allergen Bet v 1-L' '[U-98% 15N]' . . 1 $Bet_v_1-L . . 1.0 . . mM . . . . 4417 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 4417 _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 'Major Pollen Allergen Bet v 1-L' . . . 1 $Bet_v_1-L . . 0.8 . . mM . . . . 4417 3 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 4417 _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' 10 . mM 4417 1 pH 7.0 0.1 n/a 4417 1 pressure 1 . atm 4417 1 temperature 298 0.1 K 4417 1 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 4417 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 4417 _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 Bruker DRX . 600 . . . 4417 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 4417 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 3D-HNCO . . . . . . . . . . . . . . . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 4417 1 2 3D-HNCA . . . . . . . . . . . . . . . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 4417 1 3 3D-CBCA(CO)NH . . . . . . . . . . . . . . . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 4417 1 4 3D-HNCACB . . . . . . . . . . . . . . . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 4417 1 5 3D-HCCH-COSY . . . . . . . . . . . . . . . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 4417 1 6 3D-HCCH-TOCSY . . . . . . . . . . . . . . . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 4417 1 7 3D-13C-NOESYHSQC . . . . . . . . . . . . . . . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 4417 1 8 3D-15N-NOESYHSQC . . . . . . . . . . . . . . . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 4417 1 9 3D-15N-TOCSYHSQC, . . . . . . . . . . . . . . . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 4417 1 10 3D-HNHA . . . . . . . . . . . . . . . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 4417 1 11 2D-NOESY(D2O) . . . . . . . . . . . . . . . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 4417 1 12 2D-TOCSY(D2O) . . . . . . . . . . . . . . . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 4417 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 4417 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name 3D-HNCO _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 4417 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name 3D-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_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 4417 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name 3D-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_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 4417 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name 3D-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 4417 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name 3D-HCCH-COSY _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 4417 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name 3D-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 4417 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name 3D-13C-NOESYHSQC _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 4417 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name 3D-15N-NOESYHSQC _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_9 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_9 _NMR_spec_expt.Entry_ID 4417 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name 3D-15N-TOCSYHSQC, _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_10 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_10 _NMR_spec_expt.Entry_ID 4417 _NMR_spec_expt.ID 10 _NMR_spec_expt.Name 3D-HNHA _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_11 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_11 _NMR_spec_expt.Entry_ID 4417 _NMR_spec_expt.ID 11 _NMR_spec_expt.Name 2D-NOESY(D2O) _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_12 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_12 _NMR_spec_expt.Entry_ID 4417 _NMR_spec_expt.ID 12 _NMR_spec_expt.Name 2D-TOCSY(D2O) _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 4417 _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 protons . . . . ppm 0.00 . indirect 0.251449530 . . . 2 $citation_one . . . . 4417 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 external direct 1.0 external_to_the_sample cylindrical parallel_to_Bo 2 $citation_one . . . . 4417 1 N 15 DSS protons . . . . ppm 0.00 . indirect 0.101329118 . . . 2 $citation_one . . . . 4417 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chem_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_set_1 _Assigned_chem_shift_list.Entry_ID 4417 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _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 . 4417 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 VAL H H 1 8.07 0.02 . 1 . . . . . . . . 4417 1 2 . 1 1 2 2 VAL HA H 1 4.98 0.02 . 1 . . . . . . . . 4417 1 3 . 1 1 2 2 VAL HB H 1 1.66 0.02 . 1 . . . . . . . . 4417 1 4 . 1 1 2 2 VAL HG11 H 1 0.63 0.02 . 2 . . . . . . . . 4417 1 5 . 1 1 2 2 VAL HG12 H 1 0.63 0.02 . 2 . . . . . . . . 4417 1 6 . 1 1 2 2 VAL HG13 H 1 0.63 0.02 . 2 . . . . . . . . 4417 1 7 . 1 1 2 2 VAL HG21 H 1 0.45 0.02 . 2 . . . . . . . . 4417 1 8 . 1 1 2 2 VAL HG22 H 1 0.45 0.02 . 2 . . . . . . . . 4417 1 9 . 1 1 2 2 VAL HG23 H 1 0.45 0.02 . 2 . . . . . . . . 4417 1 10 . 1 1 2 2 VAL C C 13 174.7 0.2 . 1 . . . . . . . . 4417 1 11 . 1 1 2 2 VAL CA C 13 61.4 0.2 . 1 . . . . . . . . 4417 1 12 . 1 1 2 2 VAL CB C 13 33.8 0.2 . 1 . . . . . . . . 4417 1 13 . 1 1 2 2 VAL CG1 C 13 21.0 0.2 . 2 . . . . . . . . 4417 1 14 . 1 1 2 2 VAL CG2 C 13 20.8 0.2 . 2 . . . . . . . . 4417 1 15 . 1 1 2 2 VAL N N 15 120.9 0.1 . 1 . . . . . . . . 4417 1 16 . 1 1 3 3 PHE H H 1 8.72 0.02 . 1 . . . . . . . . 4417 1 17 . 1 1 3 3 PHE HA H 1 4.67 0.02 . 1 . . . . . . . . 4417 1 18 . 1 1 3 3 PHE HB2 H 1 3.13 0.02 . 2 . . . . . . . . 4417 1 19 . 1 1 3 3 PHE HB3 H 1 2.90 0.02 . 2 . . . . . . . . 4417 1 20 . 1 1 3 3 PHE C C 13 173.8 0.2 . 1 . . . . . . . . 4417 1 21 . 1 1 3 3 PHE CA C 13 56.8 0.2 . 1 . . . . . . . . 4417 1 22 . 1 1 3 3 PHE CB C 13 42.5 0.2 . 1 . . . . . . . . 4417 1 23 . 1 1 3 3 PHE N N 15 127.0 0.1 . 1 . . . . . . . . 4417 1 24 . 1 1 4 4 ASN H H 1 8.69 0.02 . 1 . . . . . . . . 4417 1 25 . 1 1 4 4 ASN HA H 1 5.41 0.02 . 1 . . . . . . . . 4417 1 26 . 1 1 4 4 ASN HB2 H 1 2.70 0.02 . 2 . . . . . . . . 4417 1 27 . 1 1 4 4 ASN HB3 H 1 2.47 0.02 . 2 . . . . . . . . 4417 1 28 . 1 1 4 4 ASN HD21 H 1 7.35 0.02 . 2 . . . . . . . . 4417 1 29 . 1 1 4 4 ASN HD22 H 1 6.72 0.02 . 2 . . . . . . . . 4417 1 30 . 1 1 4 4 ASN C C 13 173.9 0.2 . 1 . . . . . . . . 4417 1 31 . 1 1 4 4 ASN CA C 13 52.6 0.2 . 1 . . . . . . . . 4417 1 32 . 1 1 4 4 ASN CB C 13 41.6 0.2 . 1 . . . . . . . . 4417 1 33 . 1 1 4 4 ASN N N 15 124.0 0.1 . 1 . . . . . . . . 4417 1 34 . 1 1 4 4 ASN ND2 N 15 112.3 0.1 . 1 . . . . . . . . 4417 1 35 . 1 1 5 5 TYR H H 1 9.01 0.02 . 1 . . . . . . . . 4417 1 36 . 1 1 5 5 TYR HA H 1 4.72 0.02 . 1 . . . . . . . . 4417 1 37 . 1 1 5 5 TYR HB2 H 1 3.17 0.02 . 2 . . . . . . . . 4417 1 38 . 1 1 5 5 TYR HB3 H 1 3.08 0.02 . 2 . . . . . . . . 4417 1 39 . 1 1 5 5 TYR HD1 H 1 7.25 0.02 . 1 . . . . . . . . 4417 1 40 . 1 1 5 5 TYR HD2 H 1 7.25 0.02 . 1 . . . . . . . . 4417 1 41 . 1 1 5 5 TYR HE1 H 1 6.63 0.02 . 1 . . . . . . . . 4417 1 42 . 1 1 5 5 TYR HE2 H 1 6.63 0.02 . 1 . . . . . . . . 4417 1 43 . 1 1 5 5 TYR C C 13 174.7 0.2 . 1 . . . . . . . . 4417 1 44 . 1 1 5 5 TYR CA C 13 57.9 0.2 . 1 . . . . . . . . 4417 1 45 . 1 1 5 5 TYR CB C 13 41.1 0.2 . 1 . . . . . . . . 4417 1 46 . 1 1 5 5 TYR N N 15 125.2 0.1 . 1 . . . . . . . . 4417 1 47 . 1 1 6 6 GLU H H 1 8.65 0.02 . 1 . . . . . . . . 4417 1 48 . 1 1 6 6 GLU HA H 1 5.48 0.02 . 1 . . . . . . . . 4417 1 49 . 1 1 6 6 GLU HB2 H 1 1.92 0.02 . 1 . . . . . . . . 4417 1 50 . 1 1 6 6 GLU HB3 H 1 1.92 0.02 . 1 . . . . . . . . 4417 1 51 . 1 1 6 6 GLU HG2 H 1 2.17 0.02 . 1 . . . . . . . . 4417 1 52 . 1 1 6 6 GLU HG3 H 1 2.17 0.02 . 1 . . . . . . . . 4417 1 53 . 1 1 6 6 GLU C C 13 175.5 0.2 . 1 . . . . . . . . 4417 1 54 . 1 1 6 6 GLU CA C 13 55.2 0.2 . 1 . . . . . . . . 4417 1 55 . 1 1 6 6 GLU CB C 13 33.1 0.2 . 1 . . . . . . . . 4417 1 56 . 1 1 6 6 GLU CG C 13 33.0 0.2 . 1 . . . . . . . . 4417 1 57 . 1 1 6 6 GLU N N 15 124.5 0.1 . 1 . . . . . . . . 4417 1 58 . 1 1 7 7 THR H H 1 9.09 0.02 . 1 . . . . . . . . 4417 1 59 . 1 1 7 7 THR HA H 1 4.66 0.02 . 1 . . . . . . . . 4417 1 60 . 1 1 7 7 THR HB H 1 4.09 0.02 . 1 . . . . . . . . 4417 1 61 . 1 1 7 7 THR HG21 H 1 1.18 0.02 . 1 . . . . . . . . 4417 1 62 . 1 1 7 7 THR HG22 H 1 1.18 0.02 . 1 . . . . . . . . 4417 1 63 . 1 1 7 7 THR HG23 H 1 1.18 0.02 . 1 . . . . . . . . 4417 1 64 . 1 1 7 7 THR C C 13 172.6 0.2 . 1 . . . . . . . . 4417 1 65 . 1 1 7 7 THR CA C 13 61.0 0.2 . 1 . . . . . . . . 4417 1 66 . 1 1 7 7 THR CB C 13 71.9 0.2 . 1 . . . . . . . . 4417 1 67 . 1 1 7 7 THR CG2 C 13 21.3 0.2 . 1 . . . . . . . . 4417 1 68 . 1 1 7 7 THR N N 15 117.5 0.1 . 1 . . . . . . . . 4417 1 69 . 1 1 8 8 GLU H H 1 8.46 0.02 . 1 . . . . . . . . 4417 1 70 . 1 1 8 8 GLU HA H 1 5.51 0.02 . 1 . . . . . . . . 4417 1 71 . 1 1 8 8 GLU HB2 H 1 1.93 0.02 . 1 . . . . . . . . 4417 1 72 . 1 1 8 8 GLU HB3 H 1 1.93 0.02 . 1 . . . . . . . . 4417 1 73 . 1 1 8 8 GLU HG2 H 1 2.08 0.02 . 1 . . . . . . . . 4417 1 74 . 1 1 8 8 GLU HG3 H 1 2.08 0.02 . 1 . . . . . . . . 4417 1 75 . 1 1 8 8 GLU C C 13 175.5 0.2 . 1 . . . . . . . . 4417 1 76 . 1 1 8 8 GLU CA C 13 55.0 0.2 . 1 . . . . . . . . 4417 1 77 . 1 1 8 8 GLU CB C 13 33.3 0.2 . 1 . . . . . . . . 4417 1 78 . 1 1 8 8 GLU CG C 13 33.2 0.2 . 1 . . . . . . . . 4417 1 79 . 1 1 9 9 THR H H 1 8.62 0.02 . 1 . . . . . . . . 4417 1 80 . 1 1 9 9 THR HA H 1 4.73 0.02 . 1 . . . . . . . . 4417 1 81 . 1 1 9 9 THR HB H 1 3.92 0.02 . 1 . . . . . . . . 4417 1 82 . 1 1 9 9 THR HG21 H 1 1.15 0.02 . 1 . . . . . . . . 4417 1 83 . 1 1 9 9 THR HG22 H 1 1.15 0.02 . 1 . . . . . . . . 4417 1 84 . 1 1 9 9 THR HG23 H 1 1.15 0.02 . 1 . . . . . . . . 4417 1 85 . 1 1 9 9 THR C C 13 172.6 0.2 . 1 . . . . . . . . 4417 1 86 . 1 1 9 9 THR CA C 13 61.6 0.2 . 1 . . . . . . . . 4417 1 87 . 1 1 9 9 THR CB C 13 70.5 0.2 . 1 . . . . . . . . 4417 1 88 . 1 1 9 9 THR CG2 C 13 21.7 0.2 . 1 . . . . . . . . 4417 1 89 . 1 1 9 9 THR N N 15 120.0 0.1 . 1 . . . . . . . . 4417 1 90 . 1 1 10 10 THR H H 1 8.48 0.02 . 1 . . . . . . . . 4417 1 91 . 1 1 10 10 THR HA H 1 4.92 0.02 . 1 . . . . . . . . 4417 1 92 . 1 1 10 10 THR HB H 1 4.27 0.02 . 1 . . . . . . . . 4417 1 93 . 1 1 10 10 THR HG21 H 1 1.21 0.02 . 1 . . . . . . . . 4417 1 94 . 1 1 10 10 THR HG22 H 1 1.21 0.02 . 1 . . . . . . . . 4417 1 95 . 1 1 10 10 THR HG23 H 1 1.21 0.02 . 1 . . . . . . . . 4417 1 96 . 1 1 10 10 THR C C 13 173.6 0.2 . 1 . . . . . . . . 4417 1 97 . 1 1 10 10 THR CA C 13 61.2 0.2 . 1 . . . . . . . . 4417 1 98 . 1 1 10 10 THR CB C 13 71.1 0.2 . 1 . . . . . . . . 4417 1 99 . 1 1 10 10 THR CG2 C 13 21.8 0.2 . 1 . . . . . . . . 4417 1 100 . 1 1 10 10 THR N N 15 117.3 0.1 . 1 . . . . . . . . 4417 1 101 . 1 1 11 11 SER H H 1 8.87 0.02 . 1 . . . . . . . . 4417 1 102 . 1 1 11 11 SER HA H 1 4.99 0.02 . 1 . . . . . . . . 4417 1 103 . 1 1 11 11 SER HB2 H 1 3.46 0.02 . 2 . . . . . . . . 4417 1 104 . 1 1 11 11 SER HB3 H 1 3.36 0.02 . 2 . . . . . . . . 4417 1 105 . 1 1 11 11 SER C C 13 174.8 0.2 . 1 . . . . . . . . 4417 1 106 . 1 1 11 11 SER CA C 13 56.0 0.2 . 1 . . . . . . . . 4417 1 107 . 1 1 11 11 SER CB C 13 65.5 0.2 . 1 . . . . . . . . 4417 1 108 . 1 1 11 11 SER N N 15 115.3 0.1 . 1 . . . . . . . . 4417 1 109 . 1 1 12 12 VAL H H 1 7.72 0.02 . 1 . . . . . . . . 4417 1 110 . 1 1 12 12 VAL HA H 1 4.37 0.02 . 1 . . . . . . . . 4417 1 111 . 1 1 12 12 VAL HB H 1 2.40 0.02 . 1 . . . . . . . . 4417 1 112 . 1 1 12 12 VAL HG11 H 1 0.99 0.02 . 2 . . . . . . . . 4417 1 113 . 1 1 12 12 VAL HG12 H 1 0.99 0.02 . 2 . . . . . . . . 4417 1 114 . 1 1 12 12 VAL HG13 H 1 0.99 0.02 . 2 . . . . . . . . 4417 1 115 . 1 1 12 12 VAL HG21 H 1 0.87 0.02 . 2 . . . . . . . . 4417 1 116 . 1 1 12 12 VAL HG22 H 1 0.87 0.02 . 2 . . . . . . . . 4417 1 117 . 1 1 12 12 VAL HG23 H 1 0.87 0.02 . 2 . . . . . . . . 4417 1 118 . 1 1 12 12 VAL C C 13 176.0 0.2 . 1 . . . . . . . . 4417 1 119 . 1 1 12 12 VAL CA C 13 61.8 0.2 . 1 . . . . . . . . 4417 1 120 . 1 1 12 12 VAL CB C 13 31.8 0.2 . 1 . . . . . . . . 4417 1 121 . 1 1 12 12 VAL CG1 C 13 21.3 0.2 . 2 . . . . . . . . 4417 1 122 . 1 1 12 12 VAL CG2 C 13 18.3 0.2 . 2 . . . . . . . . 4417 1 123 . 1 1 12 12 VAL N N 15 119.9 0.1 . 1 . . . . . . . . 4417 1 124 . 1 1 13 13 ILE H H 1 8.51 0.02 . 1 . . . . . . . . 4417 1 125 . 1 1 13 13 ILE HA H 1 4.41 0.02 . 1 . . . . . . . . 4417 1 126 . 1 1 13 13 ILE HB H 1 2.12 0.02 . 1 . . . . . . . . 4417 1 127 . 1 1 13 13 ILE HG12 H 1 1.79 0.02 . 2 . . . . . . . . 4417 1 128 . 1 1 13 13 ILE HG13 H 1 1.16 0.02 . 2 . . . . . . . . 4417 1 129 . 1 1 13 13 ILE HG21 H 1 1.08 0.02 . 1 . . . . . . . . 4417 1 130 . 1 1 13 13 ILE HG22 H 1 1.08 0.02 . 1 . . . . . . . . 4417 1 131 . 1 1 13 13 ILE HG23 H 1 1.08 0.02 . 1 . . . . . . . . 4417 1 132 . 1 1 13 13 ILE HD11 H 1 0.76 0.02 . 1 . . . . . . . . 4417 1 133 . 1 1 13 13 ILE HD12 H 1 0.76 0.02 . 1 . . . . . . . . 4417 1 134 . 1 1 13 13 ILE HD13 H 1 0.76 0.02 . 1 . . . . . . . . 4417 1 135 . 1 1 13 13 ILE CA C 13 55.2 0.2 . 1 . . . . . . . . 4417 1 136 . 1 1 13 13 ILE CB C 13 36.3 0.2 . 1 . . . . . . . . 4417 1 137 . 1 1 13 13 ILE CG1 C 13 27.0 0.2 . 1 . . . . . . . . 4417 1 138 . 1 1 13 13 ILE CG2 C 13 16.8 0.2 . 1 . . . . . . . . 4417 1 139 . 1 1 13 13 ILE CD1 C 13 8.2 0.2 . 1 . . . . . . . . 4417 1 140 . 1 1 13 13 ILE N N 15 125.5 0.1 . 1 . . . . . . . . 4417 1 141 . 1 1 14 14 PRO HA H 1 4.42 0.02 . 1 . . . . . . . . 4417 1 142 . 1 1 14 14 PRO HB2 H 1 2.50 0.02 . 2 . . . . . . . . 4417 1 143 . 1 1 14 14 PRO HB3 H 1 1.93 0.02 . 2 . . . . . . . . 4417 1 144 . 1 1 14 14 PRO HG2 H 1 2.22 0.02 . 2 . . . . . . . . 4417 1 145 . 1 1 14 14 PRO HG3 H 1 2.09 0.02 . 2 . . . . . . . . 4417 1 146 . 1 1 14 14 PRO HD2 H 1 4.02 0.02 . 2 . . . . . . . . 4417 1 147 . 1 1 14 14 PRO HD3 H 1 3.75 0.02 . 2 . . . . . . . . 4417 1 148 . 1 1 14 14 PRO C C 13 177.3 0.2 . 1 . . . . . . . . 4417 1 149 . 1 1 14 14 PRO CA C 13 63.1 0.2 . 1 . . . . . . . . 4417 1 150 . 1 1 14 14 PRO CB C 13 32.7 0.2 . 1 . . . . . . . . 4417 1 151 . 1 1 14 14 PRO CG C 13 27.8 0.2 . 1 . . . . . . . . 4417 1 152 . 1 1 14 14 PRO CD C 13 51.7 0.2 . 1 . . . . . . . . 4417 1 153 . 1 1 15 15 ALA H H 1 8.18 0.02 . 1 . . . . . . . . 4417 1 154 . 1 1 15 15 ALA HA H 1 3.73 0.02 . 1 . . . . . . . . 4417 1 155 . 1 1 15 15 ALA HB1 H 1 1.15 0.02 . 1 . . . . . . . . 4417 1 156 . 1 1 15 15 ALA HB2 H 1 1.15 0.02 . 1 . . . . . . . . 4417 1 157 . 1 1 15 15 ALA HB3 H 1 1.15 0.02 . 1 . . . . . . . . 4417 1 158 . 1 1 15 15 ALA C C 13 178.1 0.2 . 1 . . . . . . . . 4417 1 159 . 1 1 15 15 ALA CA C 13 55.8 0.2 . 1 . . . . . . . . 4417 1 160 . 1 1 15 15 ALA CB C 13 19.1 0.2 . 1 . . . . . . . . 4417 1 161 . 1 1 15 15 ALA N N 15 126.0 0.1 . 1 . . . . . . . . 4417 1 162 . 1 1 16 16 ALA H H 1 8.53 0.02 . 1 . . . . . . . . 4417 1 163 . 1 1 16 16 ALA HA H 1 3.41 0.02 . 1 . . . . . . . . 4417 1 164 . 1 1 16 16 ALA HB1 H 1 1.48 0.02 . 1 . . . . . . . . 4417 1 165 . 1 1 16 16 ALA HB2 H 1 1.48 0.02 . 1 . . . . . . . . 4417 1 166 . 1 1 16 16 ALA HB3 H 1 1.48 0.02 . 1 . . . . . . . . 4417 1 167 . 1 1 16 16 ALA C C 13 179.9 0.2 . 1 . . . . . . . . 4417 1 168 . 1 1 16 16 ALA CA C 13 55.2 0.2 . 1 . . . . . . . . 4417 1 169 . 1 1 16 16 ALA CB C 13 18.3 0.2 . 1 . . . . . . . . 4417 1 170 . 1 1 16 16 ALA N N 15 117.6 0.1 . 1 . . . . . . . . 4417 1 171 . 1 1 17 17 ARG H H 1 6.78 0.02 . 1 . . . . . . . . 4417 1 172 . 1 1 17 17 ARG HA H 1 4.13 0.02 . 1 . . . . . . . . 4417 1 173 . 1 1 17 17 ARG HB2 H 1 1.88 0.02 . 2 . . . . . . . . 4417 1 174 . 1 1 17 17 ARG HB3 H 1 1.67 0.02 . 2 . . . . . . . . 4417 1 175 . 1 1 17 17 ARG HG2 H 1 1.44 0.02 . 1 . . . . . . . . 4417 1 176 . 1 1 17 17 ARG HG3 H 1 1.44 0.02 . 1 . . . . . . . . 4417 1 177 . 1 1 17 17 ARG C C 13 177.3 0.2 . 1 . . . . . . . . 4417 1 178 . 1 1 17 17 ARG CA C 13 59.0 0.2 . 1 . . . . . . . . 4417 1 179 . 1 1 17 17 ARG CB C 13 30.7 0.2 . 1 . . . . . . . . 4417 1 180 . 1 1 17 17 ARG CG C 13 24.1 0.2 . 1 . . . . . . . . 4417 1 181 . 1 1 17 17 ARG N N 15 118.3 0.1 . 1 . . . . . . . . 4417 1 182 . 1 1 18 18 LEU H H 1 8.26 0.02 . 1 . . . . . . . . 4417 1 183 . 1 1 18 18 LEU HA H 1 3.78 0.02 . 1 . . . . . . . . 4417 1 184 . 1 1 18 18 LEU HB2 H 1 1.68 0.02 . 2 . . . . . . . . 4417 1 185 . 1 1 18 18 LEU HB3 H 1 1.15 0.02 . 2 . . . . . . . . 4417 1 186 . 1 1 18 18 LEU HG H 1 1.38 0.02 . 1 . . . . . . . . 4417 1 187 . 1 1 18 18 LEU HD11 H 1 0.65 0.02 . 2 . . . . . . . . 4417 1 188 . 1 1 18 18 LEU HD12 H 1 0.65 0.02 . 2 . . . . . . . . 4417 1 189 . 1 1 18 18 LEU HD13 H 1 0.65 0.02 . 2 . . . . . . . . 4417 1 190 . 1 1 18 18 LEU HD21 H 1 0.73 0.02 . 2 . . . . . . . . 4417 1 191 . 1 1 18 18 LEU HD22 H 1 0.73 0.02 . 2 . . . . . . . . 4417 1 192 . 1 1 18 18 LEU HD23 H 1 0.73 0.02 . 2 . . . . . . . . 4417 1 193 . 1 1 18 18 LEU C C 13 178.9 0.2 . 1 . . . . . . . . 4417 1 194 . 1 1 18 18 LEU CA C 13 57.5 0.2 . 1 . . . . . . . . 4417 1 195 . 1 1 18 18 LEU CB C 13 41.3 0.2 . 1 . . . . . . . . 4417 1 196 . 1 1 18 18 LEU CG C 13 26.7 0.2 . 1 . . . . . . . . 4417 1 197 . 1 1 18 18 LEU CD1 C 13 22.2 0.2 . 2 . . . . . . . . 4417 1 198 . 1 1 18 18 LEU CD2 C 13 25.8 0.2 . 2 . . . . . . . . 4417 1 199 . 1 1 18 18 LEU N N 15 119.4 0.1 . 1 . . . . . . . . 4417 1 200 . 1 1 19 19 PHE H H 1 8.84 0.02 . 1 . . . . . . . . 4417 1 201 . 1 1 19 19 PHE HA H 1 3.77 0.02 . 1 . . . . . . . . 4417 1 202 . 1 1 19 19 PHE HB2 H 1 2.72 0.02 . 2 . . . . . . . . 4417 1 203 . 1 1 19 19 PHE HB3 H 1 2.67 0.02 . 2 . . . . . . . . 4417 1 204 . 1 1 19 19 PHE C C 13 177.4 0.2 . 1 . . . . . . . . 4417 1 205 . 1 1 19 19 PHE CA C 13 62.4 0.2 . 1 . . . . . . . . 4417 1 206 . 1 1 19 19 PHE CB C 13 39.5 0.2 . 1 . . . . . . . . 4417 1 207 . 1 1 19 19 PHE N N 15 119.4 0.1 . 1 . . . . . . . . 4417 1 208 . 1 1 20 20 LYS H H 1 7.57 0.02 . 1 . . . . . . . . 4417 1 209 . 1 1 20 20 LYS HA H 1 3.61 0.02 . 1 . . . . . . . . 4417 1 210 . 1 1 20 20 LYS HB2 H 1 2.09 0.02 . 2 . . . . . . . . 4417 1 211 . 1 1 20 20 LYS HB3 H 1 1.96 0.02 . 2 . . . . . . . . 4417 1 212 . 1 1 20 20 LYS HG2 H 1 1.56 0.02 . 1 . . . . . . . . 4417 1 213 . 1 1 20 20 LYS HG3 H 1 1.56 0.02 . 1 . . . . . . . . 4417 1 214 . 1 1 20 20 LYS HD2 H 1 1.67 0.02 . 1 . . . . . . . . 4417 1 215 . 1 1 20 20 LYS HD3 H 1 1.67 0.02 . 1 . . . . . . . . 4417 1 216 . 1 1 20 20 LYS HE2 H 1 2.98 0.02 . 1 . . . . . . . . 4417 1 217 . 1 1 20 20 LYS HE3 H 1 2.98 0.02 . 1 . . . . . . . . 4417 1 218 . 1 1 20 20 LYS C C 13 176.6 0.2 . 1 . . . . . . . . 4417 1 219 . 1 1 20 20 LYS CA C 13 60.1 0.2 . 1 . . . . . . . . 4417 1 220 . 1 1 20 20 LYS CB C 13 33.3 0.2 . 1 . . . . . . . . 4417 1 221 . 1 1 20 20 LYS CG C 13 26.3 0.2 . 1 . . . . . . . . 4417 1 222 . 1 1 20 20 LYS CD C 13 29.1 0.2 . 1 . . . . . . . . 4417 1 223 . 1 1 20 20 LYS CE C 13 42.1 0.2 . 1 . . . . . . . . 4417 1 224 . 1 1 20 20 LYS N N 15 118.6 0.1 . 1 . . . . . . . . 4417 1 225 . 1 1 21 21 ALA H H 1 7.31 0.02 . 1 . . . . . . . . 4417 1 226 . 1 1 21 21 ALA HA H 1 3.13 0.02 . 1 . . . . . . . . 4417 1 227 . 1 1 21 21 ALA HB1 H 1 0.64 0.02 . 1 . . . . . . . . 4417 1 228 . 1 1 21 21 ALA HB2 H 1 0.64 0.02 . 1 . . . . . . . . 4417 1 229 . 1 1 21 21 ALA HB3 H 1 0.64 0.02 . 1 . . . . . . . . 4417 1 230 . 1 1 21 21 ALA C C 13 175.0 0.2 . 1 . . . . . . . . 4417 1 231 . 1 1 21 21 ALA CA C 13 54.2 0.2 . 1 . . . . . . . . 4417 1 232 . 1 1 21 21 ALA CB C 13 21.5 0.2 . 1 . . . . . . . . 4417 1 233 . 1 1 21 21 ALA N N 15 119.5 0.1 . 1 . . . . . . . . 4417 1 234 . 1 1 22 22 PHE H H 1 8.49 0.02 . 1 . . . . . . . . 4417 1 235 . 1 1 22 22 PHE HA H 1 3.76 0.02 . 1 . . . . . . . . 4417 1 236 . 1 1 22 22 PHE HB2 H 1 2.87 0.02 . 1 . . . . . . . . 4417 1 237 . 1 1 22 22 PHE HB3 H 1 2.87 0.02 . 1 . . . . . . . . 4417 1 238 . 1 1 22 22 PHE HD1 H 1 6.59 0.02 . 1 . . . . . . . . 4417 1 239 . 1 1 22 22 PHE HD2 H 1 6.59 0.02 . 1 . . . . . . . . 4417 1 240 . 1 1 22 22 PHE HE1 H 1 7.22 0.02 . 1 . . . . . . . . 4417 1 241 . 1 1 22 22 PHE HE2 H 1 7.22 0.02 . 1 . . . . . . . . 4417 1 242 . 1 1 22 22 PHE C C 13 174.3 0.2 . 1 . . . . . . . . 4417 1 243 . 1 1 22 22 PHE CA C 13 59.9 0.2 . 1 . . . . . . . . 4417 1 244 . 1 1 22 22 PHE CB C 13 41.5 0.2 . 1 . . . . . . . . 4417 1 245 . 1 1 22 22 PHE N N 15 112.9 0.1 . 1 . . . . . . . . 4417 1 246 . 1 1 23 23 ILE H H 1 6.70 0.02 . 1 . . . . . . . . 4417 1 247 . 1 1 23 23 ILE HA H 1 3.63 0.02 . 1 . . . . . . . . 4417 1 248 . 1 1 23 23 ILE HB H 1 1.40 0.02 . 1 . . . . . . . . 4417 1 249 . 1 1 23 23 ILE HG12 H 1 1.30 0.02 . 1 . . . . . . . . 4417 1 250 . 1 1 23 23 ILE HG13 H 1 1.30 0.02 . 1 . . . . . . . . 4417 1 251 . 1 1 23 23 ILE HG21 H 1 -0.20 0.02 . 1 . . . . . . . . 4417 1 252 . 1 1 23 23 ILE HG22 H 1 -0.20 0.02 . 1 . . . . . . . . 4417 1 253 . 1 1 23 23 ILE HG23 H 1 -0.20 0.02 . 1 . . . . . . . . 4417 1 254 . 1 1 23 23 ILE HD11 H 1 0.63 0.02 . 1 . . . . . . . . 4417 1 255 . 1 1 23 23 ILE HD12 H 1 0.63 0.02 . 1 . . . . . . . . 4417 1 256 . 1 1 23 23 ILE HD13 H 1 0.63 0.02 . 1 . . . . . . . . 4417 1 257 . 1 1 23 23 ILE C C 13 178.1 0.2 . 1 . . . . . . . . 4417 1 258 . 1 1 23 23 ILE CA C 13 59.6 0.2 . 1 . . . . . . . . 4417 1 259 . 1 1 23 23 ILE CB C 13 34.3 0.2 . 1 . . . . . . . . 4417 1 260 . 1 1 23 23 ILE CG1 C 13 26.9 0.2 . 1 . . . . . . . . 4417 1 261 . 1 1 23 23 ILE CG2 C 13 16.2 0.2 . 1 . . . . . . . . 4417 1 262 . 1 1 23 23 ILE CD1 C 13 10.5 0.2 . 1 . . . . . . . . 4417 1 263 . 1 1 23 23 ILE N N 15 110.8 0.1 . 1 . . . . . . . . 4417 1 264 . 1 1 24 24 LEU H H 1 7.44 0.02 . 1 . . . . . . . . 4417 1 265 . 1 1 24 24 LEU HA H 1 3.71 0.02 . 1 . . . . . . . . 4417 1 266 . 1 1 24 24 LEU HB2 H 1 2.12 0.02 . 2 . . . . . . . . 4417 1 267 . 1 1 24 24 LEU HB3 H 1 1.37 0.02 . 2 . . . . . . . . 4417 1 268 . 1 1 24 24 LEU HG H 1 0.99 0.02 . 1 . . . . . . . . 4417 1 269 . 1 1 24 24 LEU HD11 H 1 0.82 0.02 . 2 . . . . . . . . 4417 1 270 . 1 1 24 24 LEU HD12 H 1 0.82 0.02 . 2 . . . . . . . . 4417 1 271 . 1 1 24 24 LEU HD13 H 1 0.82 0.02 . 2 . . . . . . . . 4417 1 272 . 1 1 24 24 LEU HD21 H 1 0.52 0.02 . 2 . . . . . . . . 4417 1 273 . 1 1 24 24 LEU HD22 H 1 0.52 0.02 . 2 . . . . . . . . 4417 1 274 . 1 1 24 24 LEU HD23 H 1 0.52 0.02 . 2 . . . . . . . . 4417 1 275 . 1 1 24 24 LEU C C 13 178.6 0.2 . 1 . . . . . . . . 4417 1 276 . 1 1 24 24 LEU CA C 13 57.4 0.2 . 1 . . . . . . . . 4417 1 277 . 1 1 24 24 LEU CB C 13 39.6 0.2 . 1 . . . . . . . . 4417 1 278 . 1 1 24 24 LEU CG C 13 25.8 0.2 . 1 . . . . . . . . 4417 1 279 . 1 1 24 24 LEU CD1 C 13 25.7 0.2 . 2 . . . . . . . . 4417 1 280 . 1 1 24 24 LEU CD2 C 13 21.6 0.2 . 2 . . . . . . . . 4417 1 281 . 1 1 24 24 LEU N N 15 116.5 0.1 . 1 . . . . . . . . 4417 1 282 . 1 1 25 25 ASP H H 1 6.99 0.02 . 1 . . . . . . . . 4417 1 283 . 1 1 25 25 ASP HA H 1 5.40 0.02 . 1 . . . . . . . . 4417 1 284 . 1 1 25 25 ASP HB2 H 1 2.72 0.02 . 2 . . . . . . . . 4417 1 285 . 1 1 25 25 ASP HB3 H 1 2.43 0.02 . 2 . . . . . . . . 4417 1 286 . 1 1 25 25 ASP C C 13 177.6 0.2 . 1 . . . . . . . . 4417 1 287 . 1 1 25 25 ASP CA C 13 52.6 0.2 . 1 . . . . . . . . 4417 1 288 . 1 1 25 25 ASP CB C 13 43.5 0.2 . 1 . . . . . . . . 4417 1 289 . 1 1 25 25 ASP N N 15 117.2 0.1 . 1 . . . . . . . . 4417 1 290 . 1 1 26 26 GLY H H 1 6.16 0.02 . 1 . . . . . . . . 4417 1 291 . 1 1 26 26 GLY HA2 H 1 2.33 0.02 . 2 . . . . . . . . 4417 1 292 . 1 1 26 26 GLY HA3 H 1 2.17 0.02 . 2 . . . . . . . . 4417 1 293 . 1 1 26 26 GLY C C 13 173.9 0.2 . 1 . . . . . . . . 4417 1 294 . 1 1 26 26 GLY CA C 13 47.3 0.2 . 1 . . . . . . . . 4417 1 295 . 1 1 26 26 GLY N N 15 108.4 0.1 . 1 . . . . . . . . 4417 1 296 . 1 1 27 27 ASP H H 1 7.89 0.02 . 1 . . . . . . . . 4417 1 297 . 1 1 27 27 ASP HA H 1 3.70 0.02 . 1 . . . . . . . . 4417 1 298 . 1 1 27 27 ASP HB2 H 1 2.29 0.02 . 1 . . . . . . . . 4417 1 299 . 1 1 27 27 ASP HB3 H 1 2.29 0.02 . 1 . . . . . . . . 4417 1 300 . 1 1 27 27 ASP C C 13 176.7 0.2 . 1 . . . . . . . . 4417 1 301 . 1 1 27 27 ASP CA C 13 57.0 0.2 . 1 . . . . . . . . 4417 1 302 . 1 1 27 27 ASP CB C 13 39.8 0.2 . 1 . . . . . . . . 4417 1 303 . 1 1 27 27 ASP N N 15 118.3 0.1 . 1 . . . . . . . . 4417 1 304 . 1 1 28 28 ASN H H 1 6.79 0.02 . 1 . . . . . . . . 4417 1 305 . 1 1 28 28 ASN HA H 1 4.45 0.02 . 1 . . . . . . . . 4417 1 306 . 1 1 28 28 ASN HB2 H 1 2.56 0.02 . 1 . . . . . . . . 4417 1 307 . 1 1 28 28 ASN HB3 H 1 2.56 0.02 . 1 . . . . . . . . 4417 1 308 . 1 1 28 28 ASN HD21 H 1 8.16 0.02 . 2 . . . . . . . . 4417 1 309 . 1 1 28 28 ASN HD22 H 1 6.88 0.02 . 2 . . . . . . . . 4417 1 310 . 1 1 28 28 ASN C C 13 176.7 0.2 . 1 . . . . . . . . 4417 1 311 . 1 1 28 28 ASN CA C 13 54.0 0.2 . 1 . . . . . . . . 4417 1 312 . 1 1 28 28 ASN CB C 13 40.0 0.2 . 1 . . . . . . . . 4417 1 313 . 1 1 28 28 ASN N N 15 112.5 0.1 . 1 . . . . . . . . 4417 1 314 . 1 1 28 28 ASN ND2 N 15 116.5 0.1 . 1 . . . . . . . . 4417 1 315 . 1 1 29 29 LEU H H 1 8.01 0.02 . 1 . . . . . . . . 4417 1 316 . 1 1 29 29 LEU HA H 1 3.96 0.02 . 1 . . . . . . . . 4417 1 317 . 1 1 29 29 LEU HB2 H 1 1.29 0.02 . 2 . . . . . . . . 4417 1 318 . 1 1 29 29 LEU HB3 H 1 1.03 0.02 . 2 . . . . . . . . 4417 1 319 . 1 1 29 29 LEU HG H 1 1.39 0.02 . 1 . . . . . . . . 4417 1 320 . 1 1 29 29 LEU HD11 H 1 0.44 0.02 . 1 . . . . . . . . 4417 1 321 . 1 1 29 29 LEU HD12 H 1 0.44 0.02 . 1 . . . . . . . . 4417 1 322 . 1 1 29 29 LEU HD13 H 1 0.44 0.02 . 1 . . . . . . . . 4417 1 323 . 1 1 29 29 LEU HD21 H 1 0.44 0.02 . 1 . . . . . . . . 4417 1 324 . 1 1 29 29 LEU HD22 H 1 0.44 0.02 . 1 . . . . . . . . 4417 1 325 . 1 1 29 29 LEU HD23 H 1 0.44 0.02 . 1 . . . . . . . . 4417 1 326 . 1 1 29 29 LEU C C 13 179.3 0.2 . 1 . . . . . . . . 4417 1 327 . 1 1 29 29 LEU CA C 13 57.0 0.2 . 1 . . . . . . . . 4417 1 328 . 1 1 29 29 LEU CB C 13 43.5 0.2 . 1 . . . . . . . . 4417 1 329 . 1 1 29 29 LEU CG C 13 26.6 0.2 . 1 . . . . . . . . 4417 1 330 . 1 1 29 29 LEU CD1 C 13 24.1 0.2 . 1 . . . . . . . . 4417 1 331 . 1 1 29 29 LEU CD2 C 13 24.1 0.2 . 1 . . . . . . . . 4417 1 332 . 1 1 29 29 LEU N N 15 119.6 0.1 . 1 . . . . . . . . 4417 1 333 . 1 1 30 30 PHE H H 1 9.09 0.02 . 1 . . . . . . . . 4417 1 334 . 1 1 30 30 PHE HA H 1 4.50 0.02 . 1 . . . . . . . . 4417 1 335 . 1 1 30 30 PHE HB2 H 1 2.88 0.02 . 1 . . . . . . . . 4417 1 336 . 1 1 30 30 PHE HB3 H 1 2.88 0.02 . 1 . . . . . . . . 4417 1 337 . 1 1 30 30 PHE CA C 13 60.0 0.2 . 1 . . . . . . . . 4417 1 338 . 1 1 30 30 PHE CB C 13 35.3 0.2 . 1 . . . . . . . . 4417 1 339 . 1 1 30 30 PHE N N 15 118.8 0.1 . 1 . . . . . . . . 4417 1 340 . 1 1 31 31 PRO HA H 1 4.42 0.02 . 1 . . . . . . . . 4417 1 341 . 1 1 31 31 PRO HB2 H 1 2.08 0.02 . 2 . . . . . . . . 4417 1 342 . 1 1 31 31 PRO HB3 H 1 1.72 0.02 . 2 . . . . . . . . 4417 1 343 . 1 1 31 31 PRO C C 13 177.3 0.2 . 1 . . . . . . . . 4417 1 344 . 1 1 31 31 PRO CA C 13 64.6 0.2 . 1 . . . . . . . . 4417 1 345 . 1 1 31 31 PRO CB C 13 31.0 0.2 . 1 . . . . . . . . 4417 1 346 . 1 1 32 32 LYS H H 1 6.83 0.02 . 1 . . . . . . . . 4417 1 347 . 1 1 32 32 LYS HA H 1 4.20 0.02 . 1 . . . . . . . . 4417 1 348 . 1 1 32 32 LYS HB2 H 1 1.83 0.02 . 1 . . . . . . . . 4417 1 349 . 1 1 32 32 LYS HB3 H 1 1.83 0.02 . 1 . . . . . . . . 4417 1 350 . 1 1 32 32 LYS HG2 H 1 1.27 0.02 . 1 . . . . . . . . 4417 1 351 . 1 1 32 32 LYS HG3 H 1 1.27 0.02 . 1 . . . . . . . . 4417 1 352 . 1 1 32 32 LYS HD2 H 1 1.25 0.02 . 1 . . . . . . . . 4417 1 353 . 1 1 32 32 LYS HD3 H 1 1.25 0.02 . 1 . . . . . . . . 4417 1 354 . 1 1 32 32 LYS HE2 H 1 2.80 0.02 . 1 . . . . . . . . 4417 1 355 . 1 1 32 32 LYS HE3 H 1 2.80 0.02 . 1 . . . . . . . . 4417 1 356 . 1 1 32 32 LYS C C 13 178.7 0.2 . 1 . . . . . . . . 4417 1 357 . 1 1 32 32 LYS CA C 13 58.1 0.2 . 1 . . . . . . . . 4417 1 358 . 1 1 32 32 LYS CB C 13 33.6 0.2 . 1 . . . . . . . . 4417 1 359 . 1 1 32 32 LYS CG C 13 25.0 0.2 . 1 . . . . . . . . 4417 1 360 . 1 1 32 32 LYS CD C 13 29.4 0.2 . 1 . . . . . . . . 4417 1 361 . 1 1 32 32 LYS CE C 13 41.9 0.2 . 1 . . . . . . . . 4417 1 362 . 1 1 32 32 LYS N N 15 113.7 0.1 . 1 . . . . . . . . 4417 1 363 . 1 1 33 33 VAL H H 1 8.15 0.02 . 1 . . . . . . . . 4417 1 364 . 1 1 33 33 VAL HA H 1 4.48 0.02 . 1 . . . . . . . . 4417 1 365 . 1 1 33 33 VAL HB H 1 2.38 0.02 . 1 . . . . . . . . 4417 1 366 . 1 1 33 33 VAL HG11 H 1 0.83 0.02 . 2 . . . . . . . . 4417 1 367 . 1 1 33 33 VAL HG12 H 1 0.83 0.02 . 2 . . . . . . . . 4417 1 368 . 1 1 33 33 VAL HG13 H 1 0.83 0.02 . 2 . . . . . . . . 4417 1 369 . 1 1 33 33 VAL HG21 H 1 0.68 0.02 . 2 . . . . . . . . 4417 1 370 . 1 1 33 33 VAL HG22 H 1 0.68 0.02 . 2 . . . . . . . . 4417 1 371 . 1 1 33 33 VAL HG23 H 1 0.68 0.02 . 2 . . . . . . . . 4417 1 372 . 1 1 33 33 VAL C C 13 176.7 0.2 . 1 . . . . . . . . 4417 1 373 . 1 1 33 33 VAL CA C 13 61.1 0.2 . 1 . . . . . . . . 4417 1 374 . 1 1 33 33 VAL CB C 13 32.2 0.2 . 1 . . . . . . . . 4417 1 375 . 1 1 33 33 VAL CG1 C 13 19.1 0.2 . 2 . . . . . . . . 4417 1 376 . 1 1 33 33 VAL CG2 C 13 22.4 0.2 . 2 . . . . . . . . 4417 1 377 . 1 1 33 33 VAL N N 15 110.1 0.1 . 1 . . . . . . . . 4417 1 378 . 1 1 34 34 ALA H H 1 8.29 0.02 . 1 . . . . . . . . 4417 1 379 . 1 1 34 34 ALA HA H 1 5.11 0.02 . 1 . . . . . . . . 4417 1 380 . 1 1 34 34 ALA HB1 H 1 1.10 0.02 . 1 . . . . . . . . 4417 1 381 . 1 1 34 34 ALA HB2 H 1 1.10 0.02 . 1 . . . . . . . . 4417 1 382 . 1 1 34 34 ALA HB3 H 1 1.10 0.02 . 1 . . . . . . . . 4417 1 383 . 1 1 34 34 ALA CA C 13 50.3 0.2 . 1 . . . . . . . . 4417 1 384 . 1 1 34 34 ALA CB C 13 18.7 0.2 . 1 . . . . . . . . 4417 1 385 . 1 1 34 34 ALA N N 15 125.4 0.1 . 1 . . . . . . . . 4417 1 386 . 1 1 35 35 PRO HA H 1 4.81 0.02 . 1 . . . . . . . . 4417 1 387 . 1 1 35 35 PRO HB2 H 1 2.43 0.02 . 2 . . . . . . . . 4417 1 388 . 1 1 35 35 PRO HB3 H 1 1.99 0.02 . 2 . . . . . . . . 4417 1 389 . 1 1 35 35 PRO HD2 H 1 3.54 0.02 . 2 . . . . . . . . 4417 1 390 . 1 1 35 35 PRO HD3 H 1 3.21 0.02 . 2 . . . . . . . . 4417 1 391 . 1 1 35 35 PRO C C 13 177.4 0.2 . 1 . . . . . . . . 4417 1 392 . 1 1 35 35 PRO CA C 13 64.4 0.2 . 1 . . . . . . . . 4417 1 393 . 1 1 35 35 PRO CB C 13 31.4 0.2 . 1 . . . . . . . . 4417 1 394 . 1 1 36 36 GLN H H 1 9.11 0.02 . 1 . . . . . . . . 4417 1 395 . 1 1 36 36 GLN HA H 1 4.29 0.02 . 1 . . . . . . . . 4417 1 396 . 1 1 36 36 GLN HB2 H 1 2.08 0.02 . 1 . . . . . . . . 4417 1 397 . 1 1 36 36 GLN HB3 H 1 2.08 0.02 . 1 . . . . . . . . 4417 1 398 . 1 1 36 36 GLN HG2 H 1 2.58 0.02 . 2 . . . . . . . . 4417 1 399 . 1 1 36 36 GLN HG3 H 1 2.22 0.02 . 2 . . . . . . . . 4417 1 400 . 1 1 36 36 GLN C C 13 174.9 0.2 . 1 . . . . . . . . 4417 1 401 . 1 1 36 36 GLN CA C 13 56.2 0.2 . 1 . . . . . . . . 4417 1 402 . 1 1 36 36 GLN CB C 13 26.7 0.2 . 1 . . . . . . . . 4417 1 403 . 1 1 36 36 GLN CG C 13 33.1 0.2 . 1 . . . . . . . . 4417 1 404 . 1 1 36 36 GLN N N 15 118.5 0.1 . 1 . . . . . . . . 4417 1 405 . 1 1 37 37 ALA H H 1 8.19 0.02 . 1 . . . . . . . . 4417 1 406 . 1 1 37 37 ALA HA H 1 4.55 0.02 . 1 . . . . . . . . 4417 1 407 . 1 1 37 37 ALA HB1 H 1 1.27 0.02 . 1 . . . . . . . . 4417 1 408 . 1 1 37 37 ALA HB2 H 1 1.27 0.02 . 1 . . . . . . . . 4417 1 409 . 1 1 37 37 ALA HB3 H 1 1.27 0.02 . 1 . . . . . . . . 4417 1 410 . 1 1 37 37 ALA C C 13 174.3 0.2 . 1 . . . . . . . . 4417 1 411 . 1 1 37 37 ALA CA C 13 52.5 0.2 . 1 . . . . . . . . 4417 1 412 . 1 1 37 37 ALA CB C 13 21.6 0.2 . 1 . . . . . . . . 4417 1 413 . 1 1 37 37 ALA N N 15 125.0 0.1 . 1 . . . . . . . . 4417 1 414 . 1 1 38 38 ILE H H 1 7.70 0.02 . 1 . . . . . . . . 4417 1 415 . 1 1 38 38 ILE HA H 1 4.12 0.02 . 1 . . . . . . . . 4417 1 416 . 1 1 38 38 ILE HB H 1 1.45 0.02 . 1 . . . . . . . . 4417 1 417 . 1 1 38 38 ILE HG12 H 1 1.08 0.02 . 1 . . . . . . . . 4417 1 418 . 1 1 38 38 ILE HG13 H 1 1.08 0.02 . 1 . . . . . . . . 4417 1 419 . 1 1 38 38 ILE HG21 H 1 0.55 0.02 . 1 . . . . . . . . 4417 1 420 . 1 1 38 38 ILE HG22 H 1 0.55 0.02 . 1 . . . . . . . . 4417 1 421 . 1 1 38 38 ILE HG23 H 1 0.55 0.02 . 1 . . . . . . . . 4417 1 422 . 1 1 38 38 ILE HD11 H 1 0.59 0.02 . 1 . . . . . . . . 4417 1 423 . 1 1 38 38 ILE HD12 H 1 0.59 0.02 . 1 . . . . . . . . 4417 1 424 . 1 1 38 38 ILE HD13 H 1 0.59 0.02 . 1 . . . . . . . . 4417 1 425 . 1 1 38 38 ILE C C 13 174.0 0.2 . 1 . . . . . . . . 4417 1 426 . 1 1 38 38 ILE CA C 13 58.9 0.2 . 1 . . . . . . . . 4417 1 427 . 1 1 38 38 ILE CB C 13 40.7 0.2 . 1 . . . . . . . . 4417 1 428 . 1 1 38 38 ILE CG1 C 13 27.4 0.2 . 1 . . . . . . . . 4417 1 429 . 1 1 38 38 ILE CG2 C 13 18.0 0.2 . 1 . . . . . . . . 4417 1 430 . 1 1 38 38 ILE CD1 C 13 11.8 0.2 . 1 . . . . . . . . 4417 1 431 . 1 1 38 38 ILE N N 15 115.4 0.1 . 1 . . . . . . . . 4417 1 432 . 1 1 39 39 SER H H 1 8.43 0.02 . 1 . . . . . . . . 4417 1 433 . 1 1 39 39 SER HA H 1 4.59 0.02 . 1 . . . . . . . . 4417 1 434 . 1 1 39 39 SER HB2 H 1 3.35 0.02 . 2 . . . . . . . . 4417 1 435 . 1 1 39 39 SER HB3 H 1 3.54 0.02 . 2 . . . . . . . . 4417 1 436 . 1 1 39 39 SER C C 13 175.3 0.2 . 1 . . . . . . . . 4417 1 437 . 1 1 39 39 SER CA C 13 57.9 0.2 . 1 . . . . . . . . 4417 1 438 . 1 1 39 39 SER CB C 13 63.9 0.2 . 1 . . . . . . . . 4417 1 439 . 1 1 39 39 SER N N 15 119.7 0.1 . 1 . . . . . . . . 4417 1 440 . 1 1 40 40 SER H H 1 7.36 0.02 . 1 . . . . . . . . 4417 1 441 . 1 1 40 40 SER HA H 1 4.40 0.02 . 1 . . . . . . . . 4417 1 442 . 1 1 40 40 SER HB2 H 1 3.78 0.02 . 2 . . . . . . . . 4417 1 443 . 1 1 40 40 SER HB3 H 1 3.83 0.02 . 2 . . . . . . . . 4417 1 444 . 1 1 40 40 SER C C 13 171.8 0.2 . 1 . . . . . . . . 4417 1 445 . 1 1 40 40 SER CA C 13 58.0 0.2 . 1 . . . . . . . . 4417 1 446 . 1 1 40 40 SER CB C 13 65.0 0.2 . 1 . . . . . . . . 4417 1 447 . 1 1 40 40 SER N N 15 111.6 0.1 . 1 . . . . . . . . 4417 1 448 . 1 1 41 41 VAL H H 1 8.51 0.02 . 1 . . . . . . . . 4417 1 449 . 1 1 41 41 VAL HA H 1 4.63 0.02 . 1 . . . . . . . . 4417 1 450 . 1 1 41 41 VAL HB H 1 1.95 0.02 . 1 . . . . . . . . 4417 1 451 . 1 1 41 41 VAL HG11 H 1 0.88 0.02 . 2 . . . . . . . . 4417 1 452 . 1 1 41 41 VAL HG12 H 1 0.88 0.02 . 2 . . . . . . . . 4417 1 453 . 1 1 41 41 VAL HG13 H 1 0.88 0.02 . 2 . . . . . . . . 4417 1 454 . 1 1 41 41 VAL HG21 H 1 0.72 0.02 . 2 . . . . . . . . 4417 1 455 . 1 1 41 41 VAL HG22 H 1 0.72 0.02 . 2 . . . . . . . . 4417 1 456 . 1 1 41 41 VAL HG23 H 1 0.72 0.02 . 2 . . . . . . . . 4417 1 457 . 1 1 41 41 VAL C C 13 174.5 0.2 . 1 . . . . . . . . 4417 1 458 . 1 1 41 41 VAL CA C 13 62.5 0.2 . 1 . . . . . . . . 4417 1 459 . 1 1 41 41 VAL CB C 13 34.5 0.2 . 1 . . . . . . . . 4417 1 460 . 1 1 41 41 VAL CG1 C 13 21.3 0.2 . 2 . . . . . . . . 4417 1 461 . 1 1 41 41 VAL CG2 C 13 21.1 0.2 . 2 . . . . . . . . 4417 1 462 . 1 1 41 41 VAL N N 15 121.5 0.1 . 1 . . . . . . . . 4417 1 463 . 1 1 42 42 GLU H H 1 8.61 0.02 . 1 . . . . . . . . 4417 1 464 . 1 1 42 42 GLU HA H 1 4.63 0.02 . 1 . . . . . . . . 4417 1 465 . 1 1 42 42 GLU HB2 H 1 1.81 0.02 . 2 . . . . . . . . 4417 1 466 . 1 1 42 42 GLU HB3 H 1 1.89 0.02 . 2 . . . . . . . . 4417 1 467 . 1 1 42 42 GLU HG2 H 1 2.05 0.02 . 1 . . . . . . . . 4417 1 468 . 1 1 42 42 GLU HG3 H 1 2.05 0.02 . 1 . . . . . . . . 4417 1 469 . 1 1 42 42 GLU CA C 13 54.1 0.2 . 1 . . . . . . . . 4417 1 470 . 1 1 42 42 GLU CB C 13 34.1 0.2 . 1 . . . . . . . . 4417 1 471 . 1 1 42 42 GLU CG C 13 36.1 0.2 . 1 . . . . . . . . 4417 1 472 . 1 1 42 42 GLU N N 15 125.9 0.1 . 1 . . . . . . . . 4417 1 473 . 1 1 43 43 ASN H H 1 9.10 0.02 . 1 . . . . . . . . 4417 1 474 . 1 1 43 43 ASN HA H 1 4.82 0.02 . 1 . . . . . . . . 4417 1 475 . 1 1 43 43 ASN HB2 H 1 2.69 0.02 . 2 . . . . . . . . 4417 1 476 . 1 1 43 43 ASN HB3 H 1 2.46 0.02 . 2 . . . . . . . . 4417 1 477 . 1 1 43 43 ASN HD21 H 1 7.26 0.02 . 2 . . . . . . . . 4417 1 478 . 1 1 43 43 ASN HD22 H 1 6.67 0.02 . 2 . . . . . . . . 4417 1 479 . 1 1 43 43 ASN C C 13 175.1 0.2 . 1 . . . . . . . . 4417 1 480 . 1 1 43 43 ASN CA C 13 53.6 0.2 . 1 . . . . . . . . 4417 1 481 . 1 1 43 43 ASN CB C 13 38.2 0.2 . 1 . . . . . . . . 4417 1 482 . 1 1 43 43 ASN N N 15 125.1 0.1 . 1 . . . . . . . . 4417 1 483 . 1 1 43 43 ASN ND2 N 15 110.5 0.1 . 1 . . . . . . . . 4417 1 484 . 1 1 44 44 ILE H H 1 9.01 0.02 . 1 . . . . . . . . 4417 1 485 . 1 1 44 44 ILE HA H 1 4.15 0.02 . 1 . . . . . . . . 4417 1 486 . 1 1 44 44 ILE HB H 1 1.82 0.02 . 1 . . . . . . . . 4417 1 487 . 1 1 44 44 ILE HG12 H 1 1.26 0.02 . 2 . . . . . . . . 4417 1 488 . 1 1 44 44 ILE HG13 H 1 1.22 0.02 . 2 . . . . . . . . 4417 1 489 . 1 1 44 44 ILE HG21 H 1 0.89 0.02 . 1 . . . . . . . . 4417 1 490 . 1 1 44 44 ILE HG22 H 1 0.89 0.02 . 1 . . . . . . . . 4417 1 491 . 1 1 44 44 ILE HG23 H 1 0.89 0.02 . 1 . . . . . . . . 4417 1 492 . 1 1 44 44 ILE HD11 H 1 0.73 0.02 . 1 . . . . . . . . 4417 1 493 . 1 1 44 44 ILE HD12 H 1 0.73 0.02 . 1 . . . . . . . . 4417 1 494 . 1 1 44 44 ILE HD13 H 1 0.73 0.02 . 1 . . . . . . . . 4417 1 495 . 1 1 44 44 ILE C C 13 176.2 0.2 . 1 . . . . . . . . 4417 1 496 . 1 1 44 44 ILE CA C 13 61.9 0.2 . 1 . . . . . . . . 4417 1 497 . 1 1 44 44 ILE CB C 13 37.8 0.2 . 1 . . . . . . . . 4417 1 498 . 1 1 44 44 ILE CG1 C 13 27.2 0.2 . 1 . . . . . . . . 4417 1 499 . 1 1 44 44 ILE CG2 C 13 17.5 0.2 . 1 . . . . . . . . 4417 1 500 . 1 1 44 44 ILE CD1 C 13 12.1 0.2 . 1 . . . . . . . . 4417 1 501 . 1 1 44 44 ILE N N 15 126.0 0.1 . 1 . . . . . . . . 4417 1 502 . 1 1 45 45 GLU H H 1 7.73 0.02 . 1 . . . . . . . . 4417 1 503 . 1 1 45 45 GLU HA H 1 4.54 0.02 . 1 . . . . . . . . 4417 1 504 . 1 1 45 45 GLU HB2 H 1 2.07 0.02 . 2 . . . . . . . . 4417 1 505 . 1 1 45 45 GLU HB3 H 1 1.94 0.02 . 2 . . . . . . . . 4417 1 506 . 1 1 45 45 GLU HG2 H 1 2.20 0.02 . 1 . . . . . . . . 4417 1 507 . 1 1 45 45 GLU HG3 H 1 2.20 0.02 . 1 . . . . . . . . 4417 1 508 . 1 1 45 45 GLU C C 13 175.3 0.2 . 1 . . . . . . . . 4417 1 509 . 1 1 45 45 GLU CA C 13 56.2 0.2 . 1 . . . . . . . . 4417 1 510 . 1 1 45 45 GLU CB C 13 33.2 0.2 . 1 . . . . . . . . 4417 1 511 . 1 1 45 45 GLU CG C 13 36.6 0.2 . 1 . . . . . . . . 4417 1 512 . 1 1 45 45 GLU N N 15 118.9 0.1 . 1 . . . . . . . . 4417 1 513 . 1 1 46 46 GLY H H 1 8.50 0.02 . 1 . . . . . . . . 4417 1 514 . 1 1 46 46 GLY HA2 H 1 3.76 0.02 . 2 . . . . . . . . 4417 1 515 . 1 1 46 46 GLY HA3 H 1 4.63 0.02 . 2 . . . . . . . . 4417 1 516 . 1 1 46 46 GLY C C 13 173.7 0.2 . 1 . . . . . . . . 4417 1 517 . 1 1 46 46 GLY CA C 13 44.7 0.2 . 1 . . . . . . . . 4417 1 518 . 1 1 46 46 GLY N N 15 110.7 0.1 . 1 . . . . . . . . 4417 1 519 . 1 1 47 47 ASN H H 1 8.32 0.02 . 1 . . . . . . . . 4417 1 520 . 1 1 47 47 ASN HA H 1 4.93 0.02 . 1 . . . . . . . . 4417 1 521 . 1 1 47 47 ASN HB2 H 1 2.97 0.02 . 2 . . . . . . . . 4417 1 522 . 1 1 47 47 ASN HB3 H 1 2.81 0.02 . 2 . . . . . . . . 4417 1 523 . 1 1 47 47 ASN C C 13 175.9 0.2 . 1 . . . . . . . . 4417 1 524 . 1 1 47 47 ASN CA C 13 52.5 0.2 . 1 . . . . . . . . 4417 1 525 . 1 1 47 47 ASN CB C 13 39.6 0.2 . 1 . . . . . . . . 4417 1 526 . 1 1 47 47 ASN N N 15 115.3 0.1 . 1 . . . . . . . . 4417 1 527 . 1 1 48 48 GLY H H 1 8.80 0.02 . 1 . . . . . . . . 4417 1 528 . 1 1 48 48 GLY HA2 H 1 4.73 0.02 . 2 . . . . . . . . 4417 1 529 . 1 1 48 48 GLY HA3 H 1 3.50 0.02 . 2 . . . . . . . . 4417 1 530 . 1 1 48 48 GLY C C 13 175.1 0.2 . 1 . . . . . . . . 4417 1 531 . 1 1 48 48 GLY CA C 13 45.2 0.2 . 1 . . . . . . . . 4417 1 532 . 1 1 48 48 GLY N N 15 111.0 0.1 . 1 . . . . . . . . 4417 1 533 . 1 1 49 49 GLY H H 1 8.18 0.02 . 1 . . . . . . . . 4417 1 534 . 1 1 49 49 GLY HA2 H 1 4.04 0.02 . 2 . . . . . . . . 4417 1 535 . 1 1 49 49 GLY HA3 H 1 4.44 0.02 . 2 . . . . . . . . 4417 1 536 . 1 1 49 49 GLY CA C 13 44.0 0.2 . 1 . . . . . . . . 4417 1 537 . 1 1 49 49 GLY N N 15 107.5 0.1 . 1 . . . . . . . . 4417 1 538 . 1 1 50 50 PRO HA H 1 3.95 0.02 . 1 . . . . . . . . 4417 1 539 . 1 1 50 50 PRO HB2 H 1 2.34 0.02 . 2 . . . . . . . . 4417 1 540 . 1 1 50 50 PRO HB3 H 1 1.96 0.02 . 2 . . . . . . . . 4417 1 541 . 1 1 50 50 PRO C C 13 176.7 0.2 . 1 . . . . . . . . 4417 1 542 . 1 1 50 50 PRO CA C 13 64.6 0.2 . 1 . . . . . . . . 4417 1 543 . 1 1 50 50 PRO CB C 13 31.4 0.2 . 1 . . . . . . . . 4417 1 544 . 1 1 51 51 GLY H H 1 9.48 0.02 . 1 . . . . . . . . 4417 1 545 . 1 1 51 51 GLY HA2 H 1 4.48 0.02 . 2 . . . . . . . . 4417 1 546 . 1 1 51 51 GLY HA3 H 1 3.50 0.02 . 2 . . . . . . . . 4417 1 547 . 1 1 51 51 GLY C C 13 174.4 0.2 . 1 . . . . . . . . 4417 1 548 . 1 1 51 51 GLY CA C 13 44.6 0.2 . 1 . . . . . . . . 4417 1 549 . 1 1 51 51 GLY N N 15 115.3 0.1 . 1 . . . . . . . . 4417 1 550 . 1 1 52 52 THR H H 1 8.02 0.02 . 1 . . . . . . . . 4417 1 551 . 1 1 52 52 THR HA H 1 4.55 0.02 . 1 . . . . . . . . 4417 1 552 . 1 1 52 52 THR HB H 1 3.93 0.02 . 1 . . . . . . . . 4417 1 553 . 1 1 52 52 THR HG21 H 1 1.13 0.02 . 1 . . . . . . . . 4417 1 554 . 1 1 52 52 THR HG22 H 1 1.13 0.02 . 1 . . . . . . . . 4417 1 555 . 1 1 52 52 THR HG23 H 1 1.13 0.02 . 1 . . . . . . . . 4417 1 556 . 1 1 52 52 THR C C 13 173.1 0.2 . 1 . . . . . . . . 4417 1 557 . 1 1 52 52 THR CA C 13 64.5 0.2 . 1 . . . . . . . . 4417 1 558 . 1 1 52 52 THR CB C 13 69.7 0.2 . 1 . . . . . . . . 4417 1 559 . 1 1 52 52 THR CG2 C 13 20.0 0.2 . 1 . . . . . . . . 4417 1 560 . 1 1 52 52 THR N N 15 120.2 0.1 . 1 . . . . . . . . 4417 1 561 . 1 1 53 53 ILE H H 1 8.64 0.02 . 1 . . . . . . . . 4417 1 562 . 1 1 53 53 ILE HA H 1 5.16 0.02 . 1 . . . . . . . . 4417 1 563 . 1 1 53 53 ILE HB H 1 1.70 0.02 . 1 . . . . . . . . 4417 1 564 . 1 1 53 53 ILE HG12 H 1 1.71 0.02 . 2 . . . . . . . . 4417 1 565 . 1 1 53 53 ILE HG13 H 1 1.11 0.02 . 2 . . . . . . . . 4417 1 566 . 1 1 53 53 ILE HG21 H 1 0.84 0.02 . 1 . . . . . . . . 4417 1 567 . 1 1 53 53 ILE HG22 H 1 0.84 0.02 . 1 . . . . . . . . 4417 1 568 . 1 1 53 53 ILE HG23 H 1 0.84 0.02 . 1 . . . . . . . . 4417 1 569 . 1 1 53 53 ILE HD11 H 1 0.80 0.02 . 1 . . . . . . . . 4417 1 570 . 1 1 53 53 ILE HD12 H 1 0.80 0.02 . 1 . . . . . . . . 4417 1 571 . 1 1 53 53 ILE HD13 H 1 0.80 0.02 . 1 . . . . . . . . 4417 1 572 . 1 1 53 53 ILE C C 13 174.7 0.2 . 1 . . . . . . . . 4417 1 573 . 1 1 53 53 ILE CA C 13 59.2 0.2 . 1 . . . . . . . . 4417 1 574 . 1 1 53 53 ILE CB C 13 39.5 0.2 . 1 . . . . . . . . 4417 1 575 . 1 1 53 53 ILE CG1 C 13 27.0 0.2 . 1 . . . . . . . . 4417 1 576 . 1 1 53 53 ILE CG2 C 13 17.4 0.2 . 1 . . . . . . . . 4417 1 577 . 1 1 53 53 ILE CD1 C 13 12.0 0.2 . 1 . . . . . . . . 4417 1 578 . 1 1 53 53 ILE N N 15 126.8 0.1 . 1 . . . . . . . . 4417 1 579 . 1 1 54 54 LYS H H 1 9.44 0.02 . 1 . . . . . . . . 4417 1 580 . 1 1 54 54 LYS HA H 1 5.25 0.02 . 1 . . . . . . . . 4417 1 581 . 1 1 54 54 LYS HB2 H 1 1.55 0.02 . 1 . . . . . . . . 4417 1 582 . 1 1 54 54 LYS HB3 H 1 1.55 0.02 . 1 . . . . . . . . 4417 1 583 . 1 1 54 54 LYS HG2 H 1 1.40 0.02 . 2 . . . . . . . . 4417 1 584 . 1 1 54 54 LYS HG3 H 1 1.23 0.02 . 2 . . . . . . . . 4417 1 585 . 1 1 54 54 LYS HD2 H 1 1.81 0.02 . 2 . . . . . . . . 4417 1 586 . 1 1 54 54 LYS HD3 H 1 1.75 0.02 . 2 . . . . . . . . 4417 1 587 . 1 1 54 54 LYS HE2 H 1 4.32 0.02 . 1 . . . . . . . . 4417 1 588 . 1 1 54 54 LYS HE3 H 1 4.32 0.02 . 1 . . . . . . . . 4417 1 589 . 1 1 54 54 LYS C C 13 174.2 0.2 . 1 . . . . . . . . 4417 1 590 . 1 1 54 54 LYS CA C 13 53.9 0.2 . 1 . . . . . . . . 4417 1 591 . 1 1 54 54 LYS CB C 13 35.8 0.2 . 1 . . . . . . . . 4417 1 592 . 1 1 54 54 LYS CG C 13 24.8 0.2 . 1 . . . . . . . . 4417 1 593 . 1 1 54 54 LYS CD C 13 32.0 0.2 . 1 . . . . . . . . 4417 1 594 . 1 1 54 54 LYS N N 15 127.7 0.1 . 1 . . . . . . . . 4417 1 595 . 1 1 55 55 LYS H H 1 9.43 0.02 . 1 . . . . . . . . 4417 1 596 . 1 1 55 55 LYS HA H 1 5.13 0.02 . 1 . . . . . . . . 4417 1 597 . 1 1 55 55 LYS HB2 H 1 1.83 0.02 . 2 . . . . . . . . 4417 1 598 . 1 1 55 55 LYS HB3 H 1 1.35 0.02 . 2 . . . . . . . . 4417 1 599 . 1 1 55 55 LYS C C 13 175.3 0.2 . 1 . . . . . . . . 4417 1 600 . 1 1 55 55 LYS CA C 13 54.9 0.2 . 1 . . . . . . . . 4417 1 601 . 1 1 55 55 LYS CB C 13 35.9 0.2 . 1 . . . . . . . . 4417 1 602 . 1 1 55 55 LYS N N 15 132.5 0.1 . 1 . . . . . . . . 4417 1 603 . 1 1 56 56 ILE H H 1 9.48 0.02 . 1 . . . . . . . . 4417 1 604 . 1 1 56 56 ILE HA H 1 4.49 0.02 . 1 . . . . . . . . 4417 1 605 . 1 1 56 56 ILE HB H 1 1.73 0.02 . 1 . . . . . . . . 4417 1 606 . 1 1 56 56 ILE HG12 H 1 1.35 0.02 . 2 . . . . . . . . 4417 1 607 . 1 1 56 56 ILE HG13 H 1 1.07 0.02 . 2 . . . . . . . . 4417 1 608 . 1 1 56 56 ILE HG21 H 1 0.37 0.02 . 1 . . . . . . . . 4417 1 609 . 1 1 56 56 ILE HG22 H 1 0.37 0.02 . 1 . . . . . . . . 4417 1 610 . 1 1 56 56 ILE HG23 H 1 0.37 0.02 . 1 . . . . . . . . 4417 1 611 . 1 1 56 56 ILE HD11 H 1 0.75 0.02 . 1 . . . . . . . . 4417 1 612 . 1 1 56 56 ILE HD12 H 1 0.75 0.02 . 1 . . . . . . . . 4417 1 613 . 1 1 56 56 ILE HD13 H 1 0.75 0.02 . 1 . . . . . . . . 4417 1 614 . 1 1 56 56 ILE C C 13 174.8 0.2 . 1 . . . . . . . . 4417 1 615 . 1 1 56 56 ILE CA C 13 61.0 0.2 . 1 . . . . . . . . 4417 1 616 . 1 1 56 56 ILE CB C 13 38.8 0.2 . 1 . . . . . . . . 4417 1 617 . 1 1 56 56 ILE CG1 C 13 29.2 0.2 . 1 . . . . . . . . 4417 1 618 . 1 1 56 56 ILE CG2 C 13 19.1 0.2 . 1 . . . . . . . . 4417 1 619 . 1 1 56 56 ILE CD1 C 13 14.5 0.2 . 1 . . . . . . . . 4417 1 620 . 1 1 56 56 ILE N N 15 135.0 0.1 . 1 . . . . . . . . 4417 1 621 . 1 1 57 57 SER H H 1 8.44 0.02 . 1 . . . . . . . . 4417 1 622 . 1 1 57 57 SER HA H 1 5.01 0.02 . 1 . . . . . . . . 4417 1 623 . 1 1 57 57 SER HB2 H 1 3.80 0.02 . 2 . . . . . . . . 4417 1 624 . 1 1 57 57 SER HB3 H 1 3.85 0.02 . 2 . . . . . . . . 4417 1 625 . 1 1 57 57 SER C C 13 172.9 0.2 . 1 . . . . . . . . 4417 1 626 . 1 1 57 57 SER CA C 13 58.1 0.2 . 1 . . . . . . . . 4417 1 627 . 1 1 57 57 SER CB C 13 64.5 0.2 . 1 . . . . . . . . 4417 1 628 . 1 1 57 57 SER N N 15 121.0 0.1 . 1 . . . . . . . . 4417 1 629 . 1 1 58 58 PHE H H 1 7.94 0.02 . 1 . . . . . . . . 4417 1 630 . 1 1 58 58 PHE HA H 1 4.85 0.02 . 1 . . . . . . . . 4417 1 631 . 1 1 58 58 PHE HB2 H 1 2.87 0.02 . 1 . . . . . . . . 4417 1 632 . 1 1 58 58 PHE HB3 H 1 2.87 0.02 . 1 . . . . . . . . 4417 1 633 . 1 1 58 58 PHE CA C 13 56.0 0.2 . 1 . . . . . . . . 4417 1 634 . 1 1 58 58 PHE CB C 13 39.7 0.2 . 1 . . . . . . . . 4417 1 635 . 1 1 58 58 PHE N N 15 124.22 0.1 . 1 . . . . . . . . 4417 1 636 . 1 1 59 59 PRO HA H 1 4.50 0.02 . 1 . . . . . . . . 4417 1 637 . 1 1 59 59 PRO HB2 H 1 2.30 0.02 . 2 . . . . . . . . 4417 1 638 . 1 1 59 59 PRO HB3 H 1 1.96 0.02 . 2 . . . . . . . . 4417 1 639 . 1 1 59 59 PRO HG2 H 1 1.73 0.02 . 1 . . . . . . . . 4417 1 640 . 1 1 59 59 PRO HG3 H 1 1.73 0.02 . 1 . . . . . . . . 4417 1 641 . 1 1 59 59 PRO HD2 H 1 3.37 0.02 . 2 . . . . . . . . 4417 1 642 . 1 1 59 59 PRO HD3 H 1 3.14 0.02 . 2 . . . . . . . . 4417 1 643 . 1 1 59 59 PRO C C 13 176.0 0.2 . 1 . . . . . . . . 4417 1 644 . 1 1 59 59 PRO CA C 13 62.1 0.2 . 1 . . . . . . . . 4417 1 645 . 1 1 59 59 PRO CB C 13 32.6 0.2 . 1 . . . . . . . . 4417 1 646 . 1 1 59 59 PRO CG C 13 27.0 0.2 . 1 . . . . . . . . 4417 1 647 . 1 1 59 59 PRO CD C 13 50.7 0.2 . 1 . . . . . . . . 4417 1 648 . 1 1 60 60 GLU H H 1 8.44 0.02 . 1 . . . . . . . . 4417 1 649 . 1 1 60 60 GLU HA H 1 4.13 0.02 . 1 . . . . . . . . 4417 1 650 . 1 1 60 60 GLU HB2 H 1 2.01 0.02 . 1 . . . . . . . . 4417 1 651 . 1 1 60 60 GLU HB3 H 1 2.01 0.02 . 1 . . . . . . . . 4417 1 652 . 1 1 60 60 GLU HG2 H 1 2.33 0.02 . 1 . . . . . . . . 4417 1 653 . 1 1 60 60 GLU HG3 H 1 2.33 0.02 . 1 . . . . . . . . 4417 1 654 . 1 1 60 60 GLU C C 13 177.3 0.2 . 1 . . . . . . . . 4417 1 655 . 1 1 60 60 GLU CA C 13 58.1 0.2 . 1 . . . . . . . . 4417 1 656 . 1 1 60 60 GLU CB C 13 29.7 0.2 . 1 . . . . . . . . 4417 1 657 . 1 1 60 60 GLU CG C 13 36.1 0.2 . 1 . . . . . . . . 4417 1 658 . 1 1 60 60 GLU N N 15 120.7 0.1 . 1 . . . . . . . . 4417 1 659 . 1 1 61 61 GLY H H 1 8.79 0.02 . 1 . . . . . . . . 4417 1 660 . 1 1 61 61 GLY HA2 H 1 4.31 0.02 . 2 . . . . . . . . 4417 1 661 . 1 1 61 61 GLY HA3 H 1 3.60 0.02 . 2 . . . . . . . . 4417 1 662 . 1 1 61 61 GLY C C 13 174.3 0.2 . 1 . . . . . . . . 4417 1 663 . 1 1 61 61 GLY CA C 13 44.9 0.2 . 1 . . . . . . . . 4417 1 664 . 1 1 61 61 GLY N N 15 112.9 0.1 . 1 . . . . . . . . 4417 1 665 . 1 1 62 62 PHE H H 1 7.76 0.02 . 1 . . . . . . . . 4417 1 666 . 1 1 62 62 PHE HA H 1 4.60 0.02 . 1 . . . . . . . . 4417 1 667 . 1 1 62 62 PHE HB2 H 1 3.20 0.02 . 2 . . . . . . . . 4417 1 668 . 1 1 62 62 PHE HB3 H 1 2.97 0.02 . 2 . . . . . . . . 4417 1 669 . 1 1 62 62 PHE CA C 13 57.2 0.2 . 1 . . . . . . . . 4417 1 670 . 1 1 62 62 PHE CB C 13 39.6 0.2 . 1 . . . . . . . . 4417 1 671 . 1 1 62 62 PHE N N 15 124.1 0.1 . 1 . . . . . . . . 4417 1 672 . 1 1 63 63 PRO HA H 1 4.02 0.02 . 1 . . . . . . . . 4417 1 673 . 1 1 63 63 PRO HB2 H 1 1.89 0.02 . 2 . . . . . . . . 4417 1 674 . 1 1 63 63 PRO HB3 H 1 0.97 0.02 . 2 . . . . . . . . 4417 1 675 . 1 1 63 63 PRO HG2 H 1 1.51 0.02 . 2 . . . . . . . . 4417 1 676 . 1 1 63 63 PRO HG3 H 1 1.15 0.02 . 2 . . . . . . . . 4417 1 677 . 1 1 63 63 PRO C C 13 175.4 0.2 . 1 . . . . . . . . 4417 1 678 . 1 1 63 63 PRO CA C 13 64.6 0.2 . 1 . . . . . . . . 4417 1 679 . 1 1 63 63 PRO CB C 13 31.4 0.2 . 1 . . . . . . . . 4417 1 680 . 1 1 64 64 PHE H H 1 6.55 0.02 . 1 . . . . . . . . 4417 1 681 . 1 1 64 64 PHE HA H 1 5.09 0.02 . 1 . . . . . . . . 4417 1 682 . 1 1 64 64 PHE HB2 H 1 3.19 0.02 . 2 . . . . . . . . 4417 1 683 . 1 1 64 64 PHE HB3 H 1 2.80 0.02 . 2 . . . . . . . . 4417 1 684 . 1 1 64 64 PHE C C 13 175.1 0.2 . 1 . . . . . . . . 4417 1 685 . 1 1 64 64 PHE CA C 13 52.9 0.2 . 1 . . . . . . . . 4417 1 686 . 1 1 64 64 PHE CB C 13 40.7 0.2 . 1 . . . . . . . . 4417 1 687 . 1 1 64 64 PHE N N 15 113.3 0.1 . 1 . . . . . . . . 4417 1 688 . 1 1 65 65 LYS H H 1 9.05 0.02 . 1 . . . . . . . . 4417 1 689 . 1 1 65 65 LYS HA H 1 4.76 0.02 . 1 . . . . . . . . 4417 1 690 . 1 1 65 65 LYS HB2 H 1 2.20 0.02 . 2 . . . . . . . . 4417 1 691 . 1 1 65 65 LYS HB3 H 1 2.04 0.02 . 2 . . . . . . . . 4417 1 692 . 1 1 65 65 LYS HG2 H 1 1.74 0.02 . 2 . . . . . . . . 4417 1 693 . 1 1 65 65 LYS HG3 H 1 1.68 0.02 . 2 . . . . . . . . 4417 1 694 . 1 1 65 65 LYS HD2 H 1 1.86 0.02 . 1 . . . . . . . . 4417 1 695 . 1 1 65 65 LYS HD3 H 1 1.86 0.02 . 1 . . . . . . . . 4417 1 696 . 1 1 65 65 LYS HE2 H 1 3.11 0.02 . 1 . . . . . . . . 4417 1 697 . 1 1 65 65 LYS HE3 H 1 3.11 0.02 . 1 . . . . . . . . 4417 1 698 . 1 1 65 65 LYS C C 13 177.9 0.2 . 1 . . . . . . . . 4417 1 699 . 1 1 65 65 LYS CA C 13 58.2 0.2 . 1 . . . . . . . . 4417 1 700 . 1 1 65 65 LYS CB C 13 33.6 0.2 . 1 . . . . . . . . 4417 1 701 . 1 1 65 65 LYS CG C 13 25.3 0.2 . 1 . . . . . . . . 4417 1 702 . 1 1 65 65 LYS CD C 13 28.7 0.2 . 1 . . . . . . . . 4417 1 703 . 1 1 65 65 LYS CE C 13 42.3 0.2 . 1 . . . . . . . . 4417 1 704 . 1 1 65 65 LYS N N 15 120.4 0.1 . 1 . . . . . . . . 4417 1 705 . 1 1 66 66 TYR H H 1 7.79 0.02 . 1 . . . . . . . . 4417 1 706 . 1 1 66 66 TYR HA H 1 5.86 0.02 . 1 . . . . . . . . 4417 1 707 . 1 1 66 66 TYR HB2 H 1 3.19 0.02 . 2 . . . . . . . . 4417 1 708 . 1 1 66 66 TYR HB3 H 1 2.90 0.02 . 2 . . . . . . . . 4417 1 709 . 1 1 66 66 TYR CA C 13 56.7 0.2 . 1 . . . . . . . . 4417 1 710 . 1 1 66 66 TYR CB C 13 40.5 0.2 . 1 . . . . . . . . 4417 1 711 . 1 1 66 66 TYR N N 15 114.9 0.1 . 1 . . . . . . . . 4417 1 712 . 1 1 67 67 VAL H H 1 9.02 0.02 . 1 . . . . . . . . 4417 1 713 . 1 1 67 67 VAL HA H 1 4.65 0.02 . 1 . . . . . . . . 4417 1 714 . 1 1 67 67 VAL HB H 1 2.11 0.02 . 1 . . . . . . . . 4417 1 715 . 1 1 67 67 VAL HG11 H 1 1.04 0.02 . 2 . . . . . . . . 4417 1 716 . 1 1 67 67 VAL HG12 H 1 1.04 0.02 . 2 . . . . . . . . 4417 1 717 . 1 1 67 67 VAL HG13 H 1 1.04 0.02 . 2 . . . . . . . . 4417 1 718 . 1 1 67 67 VAL HG21 H 1 0.88 0.02 . 2 . . . . . . . . 4417 1 719 . 1 1 67 67 VAL HG22 H 1 0.88 0.02 . 2 . . . . . . . . 4417 1 720 . 1 1 67 67 VAL HG23 H 1 0.88 0.02 . 2 . . . . . . . . 4417 1 721 . 1 1 67 67 VAL CA C 13 61.0 0.2 . 1 . . . . . . . . 4417 1 722 . 1 1 67 67 VAL CB C 13 36.6 0.2 . 1 . . . . . . . . 4417 1 723 . 1 1 67 67 VAL CG1 C 13 21.0 0.2 . 2 . . . . . . . . 4417 1 724 . 1 1 67 67 VAL CG2 C 13 21.3 0.2 . 2 . . . . . . . . 4417 1 725 . 1 1 67 67 VAL N N 15 115.1 0.1 . 1 . . . . . . . . 4417 1 726 . 1 1 68 68 LYS H H 1 8.57 0.02 . 1 . . . . . . . . 4417 1 727 . 1 1 68 68 LYS HA H 1 5.98 0.02 . 1 . . . . . . . . 4417 1 728 . 1 1 68 68 LYS HB2 H 1 1.76 0.02 . 2 . . . . . . . . 4417 1 729 . 1 1 68 68 LYS HB3 H 1 1.63 0.02 . 2 . . . . . . . . 4417 1 730 . 1 1 68 68 LYS HG2 H 1 1.40 0.02 . 1 . . . . . . . . 4417 1 731 . 1 1 68 68 LYS HG3 H 1 1.40 0.02 . 1 . . . . . . . . 4417 1 732 . 1 1 68 68 LYS HD2 H 1 1.47 0.02 . 1 . . . . . . . . 4417 1 733 . 1 1 68 68 LYS HD3 H 1 1.47 0.02 . 1 . . . . . . . . 4417 1 734 . 1 1 68 68 LYS HE2 H 1 2.91 0.02 . 1 . . . . . . . . 4417 1 735 . 1 1 68 68 LYS HE3 H 1 2.91 0.02 . 1 . . . . . . . . 4417 1 736 . 1 1 68 68 LYS CA C 13 55.2 0.2 . 1 . . . . . . . . 4417 1 737 . 1 1 68 68 LYS CB C 13 35.8 0.2 . 1 . . . . . . . . 4417 1 738 . 1 1 68 68 LYS CG C 13 25.0 0.2 . 1 . . . . . . . . 4417 1 739 . 1 1 68 68 LYS CE C 13 41.6 0.2 . 1 . . . . . . . . 4417 1 740 . 1 1 68 68 LYS N N 15 122.3 0.1 . 1 . . . . . . . . 4417 1 741 . 1 1 70 70 ARG H H 1 9.76 0.02 . 1 . . . . . . . . 4417 1 742 . 1 1 70 70 ARG HA H 1 5.53 0.02 . 1 . . . . . . . . 4417 1 743 . 1 1 70 70 ARG HB2 H 1 1.85 0.02 . 1 . . . . . . . . 4417 1 744 . 1 1 70 70 ARG HB3 H 1 1.85 0.02 . 1 . . . . . . . . 4417 1 745 . 1 1 70 70 ARG C C 13 176.2 0.2 . 1 . . . . . . . . 4417 1 746 . 1 1 70 70 ARG CA C 13 53.1 0.2 . 1 . . . . . . . . 4417 1 747 . 1 1 70 70 ARG CB C 13 33.8 0.2 . 1 . . . . . . . . 4417 1 748 . 1 1 70 70 ARG N N 15 122.5 0.1 . 1 . . . . . . . . 4417 1 749 . 1 1 71 71 VAL H H 1 9.19 0.02 . 1 . . . . . . . . 4417 1 750 . 1 1 71 71 VAL HA H 1 3.66 0.02 . 1 . . . . . . . . 4417 1 751 . 1 1 71 71 VAL HB H 1 2.14 0.02 . 1 . . . . . . . . 4417 1 752 . 1 1 71 71 VAL HG11 H 1 1.05 0.02 . 2 . . . . . . . . 4417 1 753 . 1 1 71 71 VAL HG12 H 1 1.05 0.02 . 2 . . . . . . . . 4417 1 754 . 1 1 71 71 VAL HG13 H 1 1.05 0.02 . 2 . . . . . . . . 4417 1 755 . 1 1 71 71 VAL HG21 H 1 0.87 0.02 . 2 . . . . . . . . 4417 1 756 . 1 1 71 71 VAL HG22 H 1 0.87 0.02 . 2 . . . . . . . . 4417 1 757 . 1 1 71 71 VAL HG23 H 1 0.87 0.02 . 2 . . . . . . . . 4417 1 758 . 1 1 71 71 VAL C C 13 174.9 0.2 . 1 . . . . . . . . 4417 1 759 . 1 1 71 71 VAL CA C 13 64.5 0.2 . 1 . . . . . . . . 4417 1 760 . 1 1 71 71 VAL CB C 13 32.2 0.2 . . . . . . . . . . 4417 1 761 . 1 1 71 71 VAL CG2 C 13 21.2 0.2 . 1 . . . . . . . . 4417 1 762 . 1 1 71 71 VAL N N 15 128.1 0.1 . 1 . . . . . . . . 4417 1 763 . 1 1 72 72 ASP H H 1 9.13 0.02 . 1 . . . . . . . . 4417 1 764 . 1 1 72 72 ASP HA H 1 5.06 0.02 . 1 . . . . . . . . 4417 1 765 . 1 1 72 72 ASP HB2 H 1 2.71 0.02 . 2 . . . . . . . . 4417 1 766 . 1 1 72 72 ASP HB3 H 1 2.19 0.02 . 2 . . . . . . . . 4417 1 767 . 1 1 72 72 ASP C C 13 176.1 0.2 . 1 . . . . . . . . 4417 1 768 . 1 1 72 72 ASP CA C 13 56.2 0.2 . 1 . . . . . . . . 4417 1 769 . 1 1 72 72 ASP CB C 13 42.9 0.2 . 1 . . . . . . . . 4417 1 770 . 1 1 72 72 ASP N N 15 130.6 0.1 . 1 . . . . . . . . 4417 1 771 . 1 1 73 73 GLU H H 1 8.27 0.02 . 1 . . . . . . . . 4417 1 772 . 1 1 73 73 GLU HA H 1 4.56 0.02 . 1 . . . . . . . . 4417 1 773 . 1 1 73 73 GLU HB2 H 1 2.12 0.02 . 2 . . . . . . . . 4417 1 774 . 1 1 73 73 GLU HB3 H 1 2.00 0.02 . 2 . . . . . . . . 4417 1 775 . 1 1 73 73 GLU C C 13 174.0 0.2 . 1 . . . . . . . . 4417 1 776 . 1 1 73 73 GLU CA C 13 57.1 0.2 . 1 . . . . . . . . 4417 1 777 . 1 1 73 73 GLU CB C 13 34.1 0.2 . 1 . . . . . . . . 4417 1 778 . 1 1 73 73 GLU N N 15 118.6 0.1 . 1 . . . . . . . . 4417 1 779 . 1 1 74 74 VAL H H 1 8.89 0.02 . 1 . . . . . . . . 4417 1 780 . 1 1 74 74 VAL HA H 1 4.71 0.02 . 1 . . . . . . . . 4417 1 781 . 1 1 74 74 VAL HB H 1 2.22 0.02 . 1 . . . . . . . . 4417 1 782 . 1 1 74 74 VAL HG11 H 1 1.05 0.02 . 2 . . . . . . . . 4417 1 783 . 1 1 74 74 VAL HG12 H 1 1.05 0.02 . 2 . . . . . . . . 4417 1 784 . 1 1 74 74 VAL HG13 H 1 1.05 0.02 . 2 . . . . . . . . 4417 1 785 . 1 1 74 74 VAL HG21 H 1 0.88 0.02 . 2 . . . . . . . . 4417 1 786 . 1 1 74 74 VAL HG22 H 1 0.88 0.02 . 2 . . . . . . . . 4417 1 787 . 1 1 74 74 VAL HG23 H 1 0.88 0.02 . 2 . . . . . . . . 4417 1 788 . 1 1 74 74 VAL C C 13 173.8 0.2 . 1 . . . . . . . . 4417 1 789 . 1 1 74 74 VAL CA C 13 62.6 0.2 . 1 . . . . . . . . 4417 1 790 . 1 1 74 74 VAL CB C 13 34.2 0.2 . 1 . . . . . . . . 4417 1 791 . 1 1 74 74 VAL CG1 C 13 21.0 0.2 . 2 . . . . . . . . 4417 1 792 . 1 1 74 74 VAL CG2 C 13 21.1 0.2 . 2 . . . . . . . . 4417 1 793 . 1 1 74 74 VAL N N 15 124.5 0.1 . 1 . . . . . . . . 4417 1 794 . 1 1 75 75 ASP H H 1 9.24 0.02 . 1 . . . . . . . . 4417 1 795 . 1 1 75 75 ASP HA H 1 5.17 0.02 . 1 . . . . . . . . 4417 1 796 . 1 1 75 75 ASP HB2 H 1 3.01 0.02 . 2 . . . . . . . . 4417 1 797 . 1 1 75 75 ASP HB3 H 1 2.63 0.02 . 2 . . . . . . . . 4417 1 798 . 1 1 75 75 ASP CA C 13 52.3 0.2 . 1 . . . . . . . . 4417 1 799 . 1 1 75 75 ASP CB C 13 42.4 0.2 . 1 . . . . . . . . 4417 1 800 . 1 1 75 75 ASP N N 15 127.8 0.1 . 1 . . . . . . . . 4417 1 801 . 1 1 76 76 HIS H H 1 8.98 0.02 . 1 . . . . . . . . 4417 1 802 . 1 1 76 76 HIS HA H 1 4.29 0.02 . 1 . . . . . . . . 4417 1 803 . 1 1 76 76 HIS HB2 H 1 3.32 0.02 . 2 . . . . . . . . 4417 1 804 . 1 1 76 76 HIS HB3 H 1 3.15 0.02 . 2 . . . . . . . . 4417 1 805 . 1 1 76 76 HIS HD2 H 1 7.22 0.02 . 1 . . . . . . . . 4417 1 806 . 1 1 76 76 HIS HE1 H 1 7.79 0.02 . 1 . . . . . . . . 4417 1 807 . 1 1 76 76 HIS C C 13 176.5 0.2 . 1 . . . . . . . . 4417 1 808 . 1 1 76 76 HIS CA C 13 60.0 0.2 . 1 . . . . . . . . 4417 1 809 . 1 1 76 76 HIS CB C 13 31.4 0.2 . 1 . . . . . . . . 4417 1 810 . 1 1 76 76 HIS N N 15 123.7 0.1 . 1 . . . . . . . . 4417 1 811 . 1 1 77 77 THR H H 1 8.23 0.02 . 1 . . . . . . . . 4417 1 812 . 1 1 77 77 THR HA H 1 3.86 0.02 . 1 . . . . . . . . 4417 1 813 . 1 1 77 77 THR HB H 1 4.04 0.02 . 1 . . . . . . . . 4417 1 814 . 1 1 77 77 THR HG21 H 1 1.05 0.02 . 1 . . . . . . . . 4417 1 815 . 1 1 77 77 THR HG22 H 1 1.05 0.02 . 1 . . . . . . . . 4417 1 816 . 1 1 77 77 THR HG23 H 1 1.05 0.02 . 1 . . . . . . . . 4417 1 817 . 1 1 77 77 THR C C 13 174.4 0.2 . 1 . . . . . . . . 4417 1 818 . 1 1 77 77 THR CA C 13 64.9 0.2 . 1 . . . . . . . . 4417 1 819 . 1 1 77 77 THR CB C 13 68.8 0.2 . 1 . . . . . . . . 4417 1 820 . 1 1 77 77 THR CG2 C 13 21.5 0.2 . 1 . . . . . . . . 4417 1 821 . 1 1 77 77 THR N N 15 115.1 0.1 . 1 . . . . . . . . 4417 1 822 . 1 1 78 78 ASN H H 1 7.58 0.02 . 1 . . . . . . . . 4417 1 823 . 1 1 78 78 ASN HA H 1 4.34 0.02 . 1 . . . . . . . . 4417 1 824 . 1 1 78 78 ASN HB2 H 1 2.64 0.02 . 2 . . . . . . . . 4417 1 825 . 1 1 78 78 ASN HB3 H 1 2.21 0.02 . 2 . . . . . . . . 4417 1 826 . 1 1 78 78 ASN HD21 H 1 8.73 0.02 . 2 . . . . . . . . 4417 1 827 . 1 1 78 78 ASN HD22 H 1 6.98 0.02 . 2 . . . . . . . . 4417 1 828 . 1 1 78 78 ASN C C 13 172.8 0.2 . 1 . . . . . . . . 4417 1 829 . 1 1 78 78 ASN CA C 13 52.4 0.2 . 1 . . . . . . . . 4417 1 830 . 1 1 78 78 ASN CB C 13 39.3 0.2 . 1 . . . . . . . . 4417 1 831 . 1 1 78 78 ASN N N 15 116.9 0.1 . 1 . . . . . . . . 4417 1 832 . 1 1 78 78 ASN ND2 N 15 119.2 0.1 . 1 . . . . . . . . 4417 1 833 . 1 1 79 79 PHE H H 1 6.85 0.02 . 1 . . . . . . . . 4417 1 834 . 1 1 79 79 PHE HA H 1 3.10 0.02 . 1 . . . . . . . . 4417 1 835 . 1 1 79 79 PHE HB2 H 1 3.94 0.02 . 2 . . . . . . . . 4417 1 836 . 1 1 79 79 PHE HB3 H 1 2.62 0.02 . 2 . . . . . . . . 4417 1 837 . 1 1 79 79 PHE HD1 H 1 6.51 0.02 . 1 . . . . . . . . 4417 1 838 . 1 1 79 79 PHE HD2 H 1 6.51 0.02 . 1 . . . . . . . . 4417 1 839 . 1 1 79 79 PHE HE1 H 1 7.20 0.02 . 1 . . . . . . . . 4417 1 840 . 1 1 79 79 PHE HE2 H 1 7.20 0.02 . 1 . . . . . . . . 4417 1 841 . 1 1 79 79 PHE HZ H 1 7.03 0.02 . 1 . . . . . . . . 4417 1 842 . 1 1 79 79 PHE C C 13 173.1 0.2 . 1 . . . . . . . . 4417 1 843 . 1 1 79 79 PHE CA C 13 55.2 0.2 . 1 . . . . . . . . 4417 1 844 . 1 1 79 79 PHE CB C 13 35.1 0.2 . 1 . . . . . . . . 4417 1 845 . 1 1 79 79 PHE N N 15 117.0 0.1 . 1 . . . . . . . . 4417 1 846 . 1 1 80 80 LYS H H 1 7.97 0.02 . 1 . . . . . . . . 4417 1 847 . 1 1 80 80 LYS HA H 1 5.66 0.02 . 1 . . . . . . . . 4417 1 848 . 1 1 80 80 LYS HB2 H 1 1.90 0.02 . 2 . . . . . . . . 4417 1 849 . 1 1 80 80 LYS HB3 H 1 1.55 0.02 . 2 . . . . . . . . 4417 1 850 . 1 1 80 80 LYS C C 13 174.4 0.2 . 1 . . . . . . . . 4417 1 851 . 1 1 80 80 LYS CA C 13 55.7 0.2 . 1 . . . . . . . . 4417 1 852 . 1 1 80 80 LYS CB C 13 37.8 0.2 . 1 . . . . . . . . 4417 1 853 . 1 1 80 80 LYS N N 15 118.6 0.1 . 1 . . . . . . . . 4417 1 854 . 1 1 81 81 TYR H H 1 9.41 0.02 . 1 . . . . . . . . 4417 1 855 . 1 1 81 81 TYR HA H 1 5.51 0.02 . 1 . . . . . . . . 4417 1 856 . 1 1 81 81 TYR HB2 H 1 3.05 0.02 . 1 . . . . . . . . 4417 1 857 . 1 1 81 81 TYR HB3 H 1 3.05 0.02 . 1 . . . . . . . . 4417 1 858 . 1 1 81 81 TYR HD1 H 1 7.10 0.02 . 1 . . . . . . . . 4417 1 859 . 1 1 81 81 TYR HD2 H 1 7.10 0.02 . 1 . . . . . . . . 4417 1 860 . 1 1 81 81 TYR C C 13 172.4 0.2 . 1 . . . . . . . . 4417 1 861 . 1 1 81 81 TYR CA C 13 55.5 0.2 . 1 . . . . . . . . 4417 1 862 . 1 1 81 81 TYR CB C 13 43.7 0.2 . 1 . . . . . . . . 4417 1 863 . 1 1 81 81 TYR N N 15 128.2 0.1 . 1 . . . . . . . . 4417 1 864 . 1 1 82 82 ASN H H 1 9.14 0.02 . 1 . . . . . . . . 4417 1 865 . 1 1 82 82 ASN HA H 1 5.88 0.02 . 1 . . . . . . . . 4417 1 866 . 1 1 82 82 ASN HB2 H 1 2.98 0.02 . 2 . . . . . . . . 4417 1 867 . 1 1 82 82 ASN HB3 H 1 2.55 0.02 . 2 . . . . . . . . 4417 1 868 . 1 1 82 82 ASN C C 13 173.8 0.2 . 1 . . . . . . . . 4417 1 869 . 1 1 82 82 ASN CA C 13 52.1 0.2 . 1 . . . . . . . . 4417 1 870 . 1 1 82 82 ASN CB C 13 40.9 0.2 . 1 . . . . . . . . 4417 1 871 . 1 1 82 82 ASN N N 15 126.2 0.1 . 1 . . . . . . . . 4417 1 872 . 1 1 83 83 TYR H H 1 8.70 0.02 . 1 . . . . . . . . 4417 1 873 . 1 1 83 83 TYR HA H 1 5.29 0.02 . 1 . . . . . . . . 4417 1 874 . 1 1 83 83 TYR HB2 H 1 2.55 0.02 . 1 . . . . . . . . 4417 1 875 . 1 1 83 83 TYR HB3 H 1 2.55 0.02 . 1 . . . . . . . . 4417 1 876 . 1 1 83 83 TYR HD1 H 1 6.42 0.02 . 1 . . . . . . . . 4417 1 877 . 1 1 83 83 TYR HD2 H 1 6.42 0.02 . 1 . . . . . . . . 4417 1 878 . 1 1 83 83 TYR HE1 H 1 6.64 0.02 . 1 . . . . . . . . 4417 1 879 . 1 1 83 83 TYR HE2 H 1 6.64 0.02 . 1 . . . . . . . . 4417 1 880 . 1 1 83 83 TYR C C 13 173.0 0.2 . 1 . . . . . . . . 4417 1 881 . 1 1 83 83 TYR CA C 13 56.5 0.2 . 1 . . . . . . . . 4417 1 882 . 1 1 83 83 TYR CB C 13 40.6 0.2 . 1 . . . . . . . . 4417 1 883 . 1 1 83 83 TYR N N 15 121.8 0.1 . 1 . . . . . . . . 4417 1 884 . 1 1 84 84 SER H H 1 9.53 0.02 . 1 . . . . . . . . 4417 1 885 . 1 1 84 84 SER HA H 1 5.55 0.02 . 1 . . . . . . . . 4417 1 886 . 1 1 84 84 SER HB2 H 1 3.46 0.02 . 2 . . . . . . . . 4417 1 887 . 1 1 84 84 SER HB3 H 1 3.64 0.02 . 2 . . . . . . . . 4417 1 888 . 1 1 84 84 SER C C 13 172.9 0.2 . 1 . . . . . . . . 4417 1 889 . 1 1 84 84 SER CA C 13 57.3 0.2 . 1 . . . . . . . . 4417 1 890 . 1 1 84 84 SER CB C 13 66.2 0.2 . 1 . . . . . . . . 4417 1 891 . 1 1 84 84 SER N N 15 118.3 0.1 . 1 . . . . . . . . 4417 1 892 . 1 1 85 85 VAL H H 1 9.51 0.02 . 1 . . . . . . . . 4417 1 893 . 1 1 85 85 VAL HA H 1 4.76 0.02 . 1 . . . . . . . . 4417 1 894 . 1 1 85 85 VAL HB H 1 1.93 0.02 . 1 . . . . . . . . 4417 1 895 . 1 1 85 85 VAL HG11 H 1 1.04 0.02 . 2 . . . . . . . . 4417 1 896 . 1 1 85 85 VAL HG12 H 1 1.04 0.02 . 2 . . . . . . . . 4417 1 897 . 1 1 85 85 VAL HG13 H 1 1.04 0.02 . 2 . . . . . . . . 4417 1 898 . 1 1 85 85 VAL HG21 H 1 0.91 0.02 . 2 . . . . . . . . 4417 1 899 . 1 1 85 85 VAL HG22 H 1 0.91 0.02 . 2 . . . . . . . . 4417 1 900 . 1 1 85 85 VAL HG23 H 1 0.91 0.02 . 2 . . . . . . . . 4417 1 901 . 1 1 85 85 VAL C C 13 177.4 0.2 . 1 . . . . . . . . 4417 1 902 . 1 1 85 85 VAL CA C 13 62.5 0.2 . 1 . . . . . . . . 4417 1 903 . 1 1 85 85 VAL CB C 13 32.2 0.2 . 1 . . . . . . . . 4417 1 904 . 1 1 85 85 VAL CG1 C 13 20.6 0.2 . 2 . . . . . . . . 4417 1 905 . 1 1 85 85 VAL CG2 C 13 20.9 0.2 . 2 . . . . . . . . 4417 1 906 . 1 1 85 85 VAL N N 15 128.2 0.1 . 1 . . . . . . . . 4417 1 907 . 1 1 86 86 ILE H H 1 8.35 0.02 . 1 . . . . . . . . 4417 1 908 . 1 1 86 86 ILE HA H 1 4.89 0.02 . 1 . . . . . . . . 4417 1 909 . 1 1 86 86 ILE HB H 1 2.17 0.02 . 1 . . . . . . . . 4417 1 910 . 1 1 86 86 ILE HG12 H 1 1.28 0.02 . 2 . . . . . . . . 4417 1 911 . 1 1 86 86 ILE HG13 H 1 0.96 0.02 . 2 . . . . . . . . 4417 1 912 . 1 1 86 86 ILE HG21 H 1 0.81 0.02 . 1 . . . . . . . . 4417 1 913 . 1 1 86 86 ILE HG22 H 1 0.81 0.02 . 1 . . . . . . . . 4417 1 914 . 1 1 86 86 ILE HG23 H 1 0.81 0.02 . 1 . . . . . . . . 4417 1 915 . 1 1 86 86 ILE HD11 H 1 0.86 0.02 . 1 . . . . . . . . 4417 1 916 . 1 1 86 86 ILE HD12 H 1 0.86 0.02 . 1 . . . . . . . . 4417 1 917 . 1 1 86 86 ILE HD13 H 1 0.86 0.02 . 1 . . . . . . . . 4417 1 918 . 1 1 86 86 ILE C C 13 176.1 0.2 . 1 . . . . . . . . 4417 1 919 . 1 1 86 86 ILE CA C 13 60.9 0.2 . 1 . . . . . . . . 4417 1 920 . 1 1 86 86 ILE CB C 13 40.9 0.2 . 1 . . . . . . . . 4417 1 921 . 1 1 86 86 ILE CG1 C 13 26.0 0.2 . 1 . . . . . . . . 4417 1 922 . 1 1 86 86 ILE CG2 C 13 18.7 0.2 . 1 . . . . . . . . 4417 1 923 . 1 1 86 86 ILE CD1 C 13 14.5 0.2 . 1 . . . . . . . . 4417 1 924 . 1 1 86 86 ILE N N 15 116.3 0.1 . 1 . . . . . . . . 4417 1 925 . 1 1 87 87 GLU H H 1 7.76 0.02 . 1 . . . . . . . . 4417 1 926 . 1 1 87 87 GLU HA H 1 4.25 0.02 . 1 . . . . . . . . 4417 1 927 . 1 1 87 87 GLU HB2 H 1 2.30 0.02 . 2 . . . . . . . . 4417 1 928 . 1 1 87 87 GLU HB3 H 1 1.75 0.02 . 2 . . . . . . . . 4417 1 929 . 1 1 87 87 GLU HG2 H 1 2.52 0.02 . 2 . . . . . . . . 4417 1 930 . 1 1 87 87 GLU HG3 H 1 2.37 0.02 . 2 . . . . . . . . 4417 1 931 . 1 1 87 87 GLU C C 13 173.9 0.2 . 1 . . . . . . . . 4417 1 932 . 1 1 87 87 GLU CA C 13 56.7 0.2 . 1 . . . . . . . . 4417 1 933 . 1 1 87 87 GLU CB C 13 34.7 0.2 . 1 . . . . . . . . 4417 1 934 . 1 1 87 87 GLU CG C 13 37.3 0.2 . 1 . . . . . . . . 4417 1 935 . 1 1 87 87 GLU N N 15 122.8 0.1 . 1 . . . . . . . . 4417 1 936 . 1 1 88 88 GLY H H 1 8.80 0.02 . 1 . . . . . . . . 4417 1 937 . 1 1 88 88 GLY HA2 H 1 3.83 0.02 . 2 . . . . . . . . 4417 1 938 . 1 1 88 88 GLY HA3 H 1 3.48 0.02 . 2 . . . . . . . . 4417 1 939 . 1 1 88 88 GLY C C 13 172.9 0.2 . 1 . . . . . . . . 4417 1 940 . 1 1 88 88 GLY CA C 13 43.7 0.2 . 1 . . . . . . . . 4417 1 941 . 1 1 88 88 GLY N N 15 112.9 0.1 . 1 . . . . . . . . 4417 1 942 . 1 1 89 89 GLY H H 1 8.06 0.02 . 1 . . . . . . . . 4417 1 943 . 1 1 89 89 GLY HA2 H 1 2.42 0.02 . 2 . . . . . . . . 4417 1 944 . 1 1 89 89 GLY HA3 H 1 3.19 0.02 . 2 . . . . . . . . 4417 1 945 . 1 1 89 89 GLY CA C 13 44.6 0.2 . 1 . . . . . . . . 4417 1 946 . 1 1 89 89 GLY N N 15 106.4 0.1 . 1 . . . . . . . . 4417 1 947 . 1 1 90 90 PRO C C 13 175.7 0.2 . 1 . . . . . . . . 4417 1 948 . 1 1 90 90 PRO CA C 13 62.9 0.2 . 1 . . . . . . . . 4417 1 949 . 1 1 90 90 PRO CB C 13 32.0 0.2 . 1 . . . . . . . . 4417 1 950 . 1 1 91 91 ILE H H 1 7.83 0.02 . 1 . . . . . . . . 4417 1 951 . 1 1 91 91 ILE HA H 1 3.72 0.02 . 1 . . . . . . . . 4417 1 952 . 1 1 91 91 ILE HB H 1 2.18 0.02 . 1 . . . . . . . . 4417 1 953 . 1 1 91 91 ILE HG12 H 1 1.42 0.02 . 2 . . . . . . . . 4417 1 954 . 1 1 91 91 ILE HG13 H 1 0.95 0.02 . 2 . . . . . . . . 4417 1 955 . 1 1 91 91 ILE HG21 H 1 0.87 0.02 . 1 . . . . . . . . 4417 1 956 . 1 1 91 91 ILE HG22 H 1 0.87 0.02 . 1 . . . . . . . . 4417 1 957 . 1 1 91 91 ILE HG23 H 1 0.87 0.02 . 1 . . . . . . . . 4417 1 958 . 1 1 91 91 ILE HD11 H 1 0.45 0.02 . 1 . . . . . . . . 4417 1 959 . 1 1 91 91 ILE HD12 H 1 0.45 0.02 . 1 . . . . . . . . 4417 1 960 . 1 1 91 91 ILE HD13 H 1 0.45 0.02 . 1 . . . . . . . . 4417 1 961 . 1 1 91 91 ILE C C 13 176.8 0.2 . 1 . . . . . . . . 4417 1 962 . 1 1 91 91 ILE CA C 13 60.8 0.2 . 1 . . . . . . . . 4417 1 963 . 1 1 91 91 ILE CB C 13 34.4 0.2 . 1 . . . . . . . . 4417 1 964 . 1 1 91 91 ILE CG1 C 13 28.1 0.2 . 1 . . . . . . . . 4417 1 965 . 1 1 91 91 ILE CG2 C 13 17.6 0.2 . 1 . . . . . . . . 4417 1 966 . 1 1 91 91 ILE CD1 C 13 9.7 0.2 . 1 . . . . . . . . 4417 1 967 . 1 1 91 91 ILE N N 15 123.3 0.1 . 1 . . . . . . . . 4417 1 968 . 1 1 92 92 GLY H H 1 8.52 0.02 . 1 . . . . . . . . 4417 1 969 . 1 1 92 92 GLY HA2 H 1 3.93 0.02 . 2 . . . . . . . . 4417 1 970 . 1 1 92 92 GLY HA3 H 1 4.20 0.02 . 2 . . . . . . . . 4417 1 971 . 1 1 92 92 GLY C C 13 173.8 0.2 . 1 . . . . . . . . 4417 1 972 . 1 1 92 92 GLY CA C 13 46.1 0.2 . 1 . . . . . . . . 4417 1 973 . 1 1 92 92 GLY N N 15 117.8 0.1 . 1 . . . . . . . . 4417 1 974 . 1 1 93 93 ASP H H 1 8.73 0.02 . 1 . . . . . . . . 4417 1 975 . 1 1 93 93 ASP HA H 1 4.40 0.02 . 1 . . . . . . . . 4417 1 976 . 1 1 93 93 ASP HB2 H 1 2.73 0.02 . 2 . . . . . . . . 4417 1 977 . 1 1 93 93 ASP HB3 H 1 2.66 0.02 . 2 . . . . . . . . 4417 1 978 . 1 1 93 93 ASP C C 13 176.3 0.2 . 1 . . . . . . . . 4417 1 979 . 1 1 93 93 ASP CA C 13 56.5 0.2 . 1 . . . . . . . . 4417 1 980 . 1 1 93 93 ASP CB C 13 40.7 0.2 . 1 . . . . . . . . 4417 1 981 . 1 1 93 93 ASP N N 15 122.3 0.1 . 1 . . . . . . . . 4417 1 982 . 1 1 94 94 THR H H 1 7.83 0.02 . 1 . . . . . . . . 4417 1 983 . 1 1 94 94 THR HA H 1 4.26 0.02 . 1 . . . . . . . . 4417 1 984 . 1 1 94 94 THR HB H 1 4.06 0.02 . 1 . . . . . . . . 4417 1 985 . 1 1 94 94 THR HG21 H 1 0.59 0.02 . 1 . . . . . . . . 4417 1 986 . 1 1 94 94 THR HG22 H 1 0.59 0.02 . 1 . . . . . . . . 4417 1 987 . 1 1 94 94 THR HG23 H 1 0.59 0.02 . 1 . . . . . . . . 4417 1 988 . 1 1 94 94 THR C C 13 174.3 0.2 . 1 . . . . . . . . 4417 1 989 . 1 1 94 94 THR CA C 13 62.0 0.2 . 1 . . . . . . . . 4417 1 990 . 1 1 94 94 THR CB C 13 70.1 0.2 . 1 . . . . . . . . 4417 1 991 . 1 1 94 94 THR CG2 C 13 21.2 0.2 . 1 . . . . . . . . 4417 1 992 . 1 1 94 94 THR N N 15 106.7 0.1 . 1 . . . . . . . . 4417 1 993 . 1 1 95 95 LEU H H 1 7.61 0.02 . 1 . . . . . . . . 4417 1 994 . 1 1 95 95 LEU HA H 1 4.80 0.02 . 1 . . . . . . . . 4417 1 995 . 1 1 95 95 LEU HB2 H 1 1.86 0.02 . 2 . . . . . . . . 4417 1 996 . 1 1 95 95 LEU HB3 H 1 1.46 0.02 . 2 . . . . . . . . 4417 1 997 . 1 1 95 95 LEU HG H 1 1.45 0.02 . 1 . . . . . . . . 4417 1 998 . 1 1 95 95 LEU HD11 H 1 1.08 0.02 . 2 . . . . . . . . 4417 1 999 . 1 1 95 95 LEU HD12 H 1 1.08 0.02 . 2 . . . . . . . . 4417 1 1000 . 1 1 95 95 LEU HD13 H 1 1.08 0.02 . 2 . . . . . . . . 4417 1 1001 . 1 1 95 95 LEU HD21 H 1 0.91 0.02 . 2 . . . . . . . . 4417 1 1002 . 1 1 95 95 LEU HD22 H 1 0.91 0.02 . 2 . . . . . . . . 4417 1 1003 . 1 1 95 95 LEU HD23 H 1 0.91 0.02 . 2 . . . . . . . . 4417 1 1004 . 1 1 95 95 LEU CA C 13 54.7 0.2 . 1 . . . . . . . . 4417 1 1005 . 1 1 95 95 LEU CB C 13 44.2 0.2 . 1 . . . . . . . . 4417 1 1006 . 1 1 95 95 LEU CG C 13 27.2 0.2 . 1 . . . . . . . . 4417 1 1007 . 1 1 95 95 LEU CD1 C 13 25.1 0.2 . 2 . . . . . . . . 4417 1 1008 . 1 1 95 95 LEU CD2 C 13 26.0 0.2 . 2 . . . . . . . . 4417 1 1009 . 1 1 95 95 LEU N N 15 124.9 0.1 . 1 . . . . . . . . 4417 1 1010 . 1 1 96 96 GLU H H 1 9.07 0.02 . 1 . . . . . . . . 4417 1 1011 . 1 1 96 96 GLU HA H 1 4.34 0.02 . 1 . . . . . . . . 4417 1 1012 . 1 1 96 96 GLU HB2 H 1 1.98 0.02 . 1 . . . . . . . . 4417 1 1013 . 1 1 96 96 GLU HB3 H 1 1.98 0.02 . 1 . . . . . . . . 4417 1 1014 . 1 1 96 96 GLU C C 13 176.0 0.2 . 1 . . . . . . . . 4417 1 1015 . 1 1 96 96 GLU CA C 13 58.0 0.2 . 1 . . . . . . . . 4417 1 1016 . 1 1 96 96 GLU CB C 13 31.9 0.2 . 1 . . . . . . . . 4417 1 1017 . 1 1 96 96 GLU N N 15 125.1 0.1 . 1 . . . . . . . . 4417 1 1018 . 1 1 97 97 LYS H H 1 7.62 0.02 . 1 . . . . . . . . 4417 1 1019 . 1 1 97 97 LYS HA H 1 4.68 0.02 . 1 . . . . . . . . 4417 1 1020 . 1 1 97 97 LYS HB2 H 1 1.82 0.02 . 2 . . . . . . . . 4417 1 1021 . 1 1 97 97 LYS HB3 H 1 1.73 0.02 . 2 . . . . . . . . 4417 1 1022 . 1 1 97 97 LYS HG2 H 1 1.15 0.02 . 2 . . . . . . . . 4417 1 1023 . 1 1 97 97 LYS HG3 H 1 1.02 0.02 . 2 . . . . . . . . 4417 1 1024 . 1 1 97 97 LYS HD2 H 1 1.36 0.02 . 2 . . . . . . . . 4417 1 1025 . 1 1 97 97 LYS HD3 H 1 1.27 0.02 . 2 . . . . . . . . 4417 1 1026 . 1 1 97 97 LYS HE2 H 1 2.23 0.02 . 2 . . . . . . . . 4417 1 1027 . 1 1 97 97 LYS HE3 H 1 2.01 0.02 . 2 . . . . . . . . 4417 1 1028 . 1 1 97 97 LYS C C 13 173.8 0.2 . 1 . . . . . . . . 4417 1 1029 . 1 1 97 97 LYS CA C 13 56.2 0.2 . 1 . . . . . . . . 4417 1 1030 . 1 1 97 97 LYS CB C 13 34.7 0.2 . 1 . . . . . . . . 4417 1 1031 . 1 1 97 97 LYS CG C 13 24.0 0.2 . 1 . . . . . . . . 4417 1 1032 . 1 1 97 97 LYS CD C 13 29.5 0.2 . 1 . . . . . . . . 4417 1 1033 . 1 1 97 97 LYS CE C 13 41.2 0.2 . 1 . . . . . . . . 4417 1 1034 . 1 1 97 97 LYS N N 15 113.5 0.1 . 1 . . . . . . . . 4417 1 1035 . 1 1 98 98 ILE H H 1 7.72 0.02 . 1 . . . . . . . . 4417 1 1036 . 1 1 98 98 ILE HA H 1 4.98 0.02 . 1 . . . . . . . . 4417 1 1037 . 1 1 98 98 ILE HB H 1 1.39 0.02 . 1 . . . . . . . . 4417 1 1038 . 1 1 98 98 ILE HG12 H 1 0.51 0.02 . 2 . . . . . . . . 4417 1 1039 . 1 1 98 98 ILE HG13 H 1 1.35 0.02 . 2 . . . . . . . . 4417 1 1040 . 1 1 98 98 ILE HG21 H 1 0.29 0.02 . 1 . . . . . . . . 4417 1 1041 . 1 1 98 98 ILE HG22 H 1 0.29 0.02 . 1 . . . . . . . . 4417 1 1042 . 1 1 98 98 ILE HG23 H 1 0.29 0.02 . 1 . . . . . . . . 4417 1 1043 . 1 1 98 98 ILE HD11 H 1 0.68 0.02 . 1 . . . . . . . . 4417 1 1044 . 1 1 98 98 ILE HD12 H 1 0.68 0.02 . 1 . . . . . . . . 4417 1 1045 . 1 1 98 98 ILE HD13 H 1 0.68 0.02 . 1 . . . . . . . . 4417 1 1046 . 1 1 98 98 ILE C C 13 176.1 0.2 . 1 . . . . . . . . 4417 1 1047 . 1 1 98 98 ILE CA C 13 60.4 0.2 . 1 . . . . . . . . 4417 1 1048 . 1 1 98 98 ILE CB C 13 41.4 0.2 . 1 . . . . . . . . 4417 1 1049 . 1 1 98 98 ILE CG1 C 13 27.3 0.2 . 1 . . . . . . . . 4417 1 1050 . 1 1 98 98 ILE CG2 C 13 17.1 0.2 . 1 . . . . . . . . 4417 1 1051 . 1 1 98 98 ILE CD1 C 13 14.5 0.2 . 1 . . . . . . . . 4417 1 1052 . 1 1 98 98 ILE N N 15 121.2 0.1 . 1 . . . . . . . . 4417 1 1053 . 1 1 99 99 SER H H 1 9.79 0.02 . 1 . . . . . . . . 4417 1 1054 . 1 1 99 99 SER HA H 1 4.92 0.02 . 1 . . . . . . . . 4417 1 1055 . 1 1 99 99 SER HB2 H 1 3.83 0.02 . 1 . . . . . . . . 4417 1 1056 . 1 1 99 99 SER HB3 H 1 3.83 0.02 . 1 . . . . . . . . 4417 1 1057 . 1 1 99 99 SER C C 13 174.2 0.2 . 1 . . . . . . . . 4417 1 1058 . 1 1 99 99 SER CA C 13 58.1 0.2 . 1 . . . . . . . . 4417 1 1059 . 1 1 99 99 SER CB C 13 64.2 0.2 . 1 . . . . . . . . 4417 1 1060 . 1 1 99 99 SER N N 15 124.8 0.1 . 1 . . . . . . . . 4417 1 1061 . 1 1 100 100 ASN H H 1 9.06 0.02 . 1 . . . . . . . . 4417 1 1062 . 1 1 100 100 ASN HA H 1 5.82 0.02 . 1 . . . . . . . . 4417 1 1063 . 1 1 100 100 ASN HB2 H 1 1.96 0.02 . 2 . . . . . . . . 4417 1 1064 . 1 1 100 100 ASN HB3 H 1 1.42 0.02 . 2 . . . . . . . . 4417 1 1065 . 1 1 100 100 ASN C C 13 174.9 0.2 . 1 . . . . . . . . 4417 1 1066 . 1 1 100 100 ASN CA C 13 52.4 0.2 . 1 . . . . . . . . 4417 1 1067 . 1 1 100 100 ASN CB C 13 42.6 0.2 . 1 . . . . . . . . 4417 1 1068 . 1 1 100 100 ASN N N 15 124.7 0.1 . 1 . . . . . . . . 4417 1 1069 . 1 1 101 101 GLU H H 1 9.00 0.02 . 1 . . . . . . . . 4417 1 1070 . 1 1 101 101 GLU HA H 1 5.28 0.02 . 1 . . . . . . . . 4417 1 1071 . 1 1 101 101 GLU HB2 H 1 2.05 0.02 . 2 . . . . . . . . 4417 1 1072 . 1 1 101 101 GLU HB3 H 1 1.93 0.02 . 2 . . . . . . . . 4417 1 1073 . 1 1 101 101 GLU C C 13 174.6 0.2 . 1 . . . . . . . . 4417 1 1074 . 1 1 101 101 GLU CA C 13 55.6 0.2 . 1 . . . . . . . . 4417 1 1075 . 1 1 101 101 GLU CB C 13 34.4 0.2 . 1 . . . . . . . . 4417 1 1076 . 1 1 101 101 GLU N N 15 124.1 0.1 . 1 . . . . . . . . 4417 1 1077 . 1 1 102 102 ILE H H 1 9.49 0.02 . 1 . . . . . . . . 4417 1 1078 . 1 1 102 102 ILE HA H 1 5.05 0.02 . 1 . . . . . . . . 4417 1 1079 . 1 1 102 102 ILE HB H 1 2.24 0.02 . 1 . . . . . . . . 4417 1 1080 . 1 1 102 102 ILE HG12 H 1 1.43 0.02 . 2 . . . . . . . . 4417 1 1081 . 1 1 102 102 ILE HG13 H 1 1.95 0.02 . 2 . . . . . . . . 4417 1 1082 . 1 1 102 102 ILE HG21 H 1 1.05 0.02 . 1 . . . . . . . . 4417 1 1083 . 1 1 102 102 ILE HG22 H 1 1.05 0.02 . 1 . . . . . . . . 4417 1 1084 . 1 1 102 102 ILE HG23 H 1 1.05 0.02 . 1 . . . . . . . . 4417 1 1085 . 1 1 102 102 ILE HD11 H 1 1.25 0.02 . 1 . . . . . . . . 4417 1 1086 . 1 1 102 102 ILE HD12 H 1 1.25 0.02 . 1 . . . . . . . . 4417 1 1087 . 1 1 102 102 ILE HD13 H 1 1.25 0.02 . 1 . . . . . . . . 4417 1 1088 . 1 1 102 102 ILE C C 13 174.7 0.2 . 1 . . . . . . . . 4417 1 1089 . 1 1 102 102 ILE CA C 13 60.8 0.2 . 1 . . . . . . . . 4417 1 1090 . 1 1 102 102 ILE CB C 13 41.0 0.2 . 1 . . . . . . . . 4417 1 1091 . 1 1 102 102 ILE CG1 C 13 28.0 0.2 . 1 . . . . . . . . 4417 1 1092 . 1 1 102 102 ILE CG2 C 13 17.7 0.2 . 1 . . . . . . . . 4417 1 1093 . 1 1 102 102 ILE CD1 C 13 14.4 0.2 . 1 . . . . . . . . 4417 1 1094 . 1 1 102 102 ILE N N 15 127.1 0.1 . 1 . . . . . . . . 4417 1 1095 . 1 1 103 103 LYS H H 1 9.10 0.02 . 1 . . . . . . . . 4417 1 1096 . 1 1 103 103 LYS HA H 1 5.51 0.02 . 1 . . . . . . . . 4417 1 1097 . 1 1 103 103 LYS HB2 H 1 1.94 0.02 . 2 . . . . . . . . 4417 1 1098 . 1 1 103 103 LYS HB3 H 1 1.25 0.02 . 2 . . . . . . . . 4417 1 1099 . 1 1 103 103 LYS C C 13 174.5 0.2 . 1 . . . . . . . . 4417 1 1100 . 1 1 103 103 LYS CA C 13 55.0 0.2 . 1 . . . . . . . . 4417 1 1101 . 1 1 103 103 LYS CB C 13 36.4 0.2 . 1 . . . . . . . . 4417 1 1102 . 1 1 103 103 LYS N N 15 129.3 0.1 . 1 . . . . . . . . 4417 1 1103 . 1 1 104 104 ILE H H 1 8.62 0.02 . 1 . . . . . . . . 4417 1 1104 . 1 1 104 104 ILE HA H 1 5.06 0.02 . 1 . . . . . . . . 4417 1 1105 . 1 1 104 104 ILE HB H 1 1.95 0.02 . 1 . . . . . . . . 4417 1 1106 . 1 1 104 104 ILE HG21 H 1 0.98 0.02 . 1 . . . . . . . . 4417 1 1107 . 1 1 104 104 ILE HG22 H 1 0.98 0.02 . 1 . . . . . . . . 4417 1 1108 . 1 1 104 104 ILE HG23 H 1 0.98 0.02 . 1 . . . . . . . . 4417 1 1109 . 1 1 104 104 ILE C C 13 174.9 0.2 . 1 . . . . . . . . 4417 1 1110 . 1 1 104 104 ILE CA C 13 61.2 0.2 . 1 . . . . . . . . 4417 1 1111 . 1 1 104 104 ILE CB C 13 38.8 0.2 . 1 . . . . . . . . 4417 1 1112 . 1 1 104 104 ILE CG2 C 13 17.4 0.2 . 1 . . . . . . . . 4417 1 1113 . 1 1 104 104 ILE N N 15 125.8 0.1 . 1 . . . . . . . . 4417 1 1114 . 1 1 105 105 VAL H H 1 9.27 0.02 . 1 . . . . . . . . 4417 1 1115 . 1 1 105 105 VAL HA H 1 4.40 0.02 . 1 . . . . . . . . 4417 1 1116 . 1 1 105 105 VAL HB H 1 2.08 0.02 . 1 . . . . . . . . 4417 1 1117 . 1 1 105 105 VAL HG11 H 1 1.02 0.02 . 2 . . . . . . . . 4417 1 1118 . 1 1 105 105 VAL HG12 H 1 1.02 0.02 . 2 . . . . . . . . 4417 1 1119 . 1 1 105 105 VAL HG13 H 1 1.02 0.02 . 2 . . . . . . . . 4417 1 1120 . 1 1 105 105 VAL HG21 H 1 0.91 0.02 . 2 . . . . . . . . 4417 1 1121 . 1 1 105 105 VAL HG22 H 1 0.91 0.02 . 2 . . . . . . . . 4417 1 1122 . 1 1 105 105 VAL HG23 H 1 0.91 0.02 . 2 . . . . . . . . 4417 1 1123 . 1 1 105 105 VAL C C 13 175.0 0.2 . 1 . . . . . . . . 4417 1 1124 . 1 1 105 105 VAL CA C 13 60.4 0.2 . 1 . . . . . . . . 4417 1 1125 . 1 1 105 105 VAL CB C 13 34.8 0.2 . 1 . . . . . . . . 4417 1 1126 . 1 1 105 105 VAL CG1 C 13 21.0 0.2 . 2 . . . . . . . . 4417 1 1127 . 1 1 105 105 VAL CG2 C 13 20.9 0.2 . 2 . . . . . . . . 4417 1 1128 . 1 1 105 105 VAL N N 15 127.2 0.1 . 1 . . . . . . . . 4417 1 1129 . 1 1 106 106 ALA H H 1 8.77 0.02 . 1 . . . . . . . . 4417 1 1130 . 1 1 106 106 ALA HA H 1 4.76 0.02 . 1 . . . . . . . . 4417 1 1131 . 1 1 106 106 ALA HB1 H 1 1.51 0.02 . 1 . . . . . . . . 4417 1 1132 . 1 1 106 106 ALA HB2 H 1 1.51 0.02 . 1 . . . . . . . . 4417 1 1133 . 1 1 106 106 ALA HB3 H 1 1.51 0.02 . 1 . . . . . . . . 4417 1 1134 . 1 1 106 106 ALA C C 13 178.5 0.2 . 1 . . . . . . . . 4417 1 1135 . 1 1 106 106 ALA CA C 13 52.6 0.2 . 1 . . . . . . . . 4417 1 1136 . 1 1 106 106 ALA CB C 13 20.4 0.2 . 1 . . . . . . . . 4417 1 1137 . 1 1 106 106 ALA N N 15 128.7 0.1 . 1 . . . . . . . . 4417 1 1138 . 1 1 107 107 THR H H 1 8.05 0.02 . 1 . . . . . . . . 4417 1 1139 . 1 1 107 107 THR HA H 1 4.88 0.02 . 1 . . . . . . . . 4417 1 1140 . 1 1 107 107 THR HB H 1 4.54 0.02 . 1 . . . . . . . . 4417 1 1141 . 1 1 107 107 THR HG21 H 1 1.13 0.02 . 1 . . . . . . . . 4417 1 1142 . 1 1 107 107 THR HG22 H 1 1.13 0.02 . 1 . . . . . . . . 4417 1 1143 . 1 1 107 107 THR HG23 H 1 1.13 0.02 . 1 . . . . . . . . 4417 1 1144 . 1 1 107 107 THR CA C 13 58.9 0.2 . 1 . . . . . . . . 4417 1 1145 . 1 1 107 107 THR CB C 13 68.3 0.2 . 1 . . . . . . . . 4417 1 1146 . 1 1 107 107 THR CG2 C 13 22.7 0.2 . 1 . . . . . . . . 4417 1 1147 . 1 1 107 107 THR N N 15 113.8 0.1 . 1 . . . . . . . . 4417 1 1148 . 1 1 108 108 PRO HA H 1 4.38 0.02 . 1 . . . . . . . . 4417 1 1149 . 1 1 108 108 PRO HB2 H 1 2.40 0.02 . 2 . . . . . . . . 4417 1 1150 . 1 1 108 108 PRO HB3 H 1 1.98 0.02 . 2 . . . . . . . . 4417 1 1151 . 1 1 108 108 PRO C C 13 176.9 0.2 . 1 . . . . . . . . 4417 1 1152 . 1 1 108 108 PRO CA C 13 65.1 0.2 . 1 . . . . . . . . 4417 1 1153 . 1 1 108 108 PRO CB C 13 31.7 0.2 . 1 . . . . . . . . 4417 1 1154 . 1 1 109 109 ASP H H 1 7.79 0.02 . 1 . . . . . . . . 4417 1 1155 . 1 1 109 109 ASP HA H 1 4.58 0.02 . 1 . . . . . . . . 4417 1 1156 . 1 1 109 109 ASP HB2 H 1 2.78 0.02 . 2 . . . . . . . . 4417 1 1157 . 1 1 109 109 ASP HB3 H 1 2.66 0.02 . 2 . . . . . . . . 4417 1 1158 . 1 1 109 109 ASP C C 13 176.5 0.2 . 1 . . . . . . . . 4417 1 1159 . 1 1 109 109 ASP CA C 13 53.8 0.2 . 1 . . . . . . . . 4417 1 1160 . 1 1 109 109 ASP CB C 13 40.4 0.2 . 1 . . . . . . . . 4417 1 1161 . 1 1 109 109 ASP N N 15 114.6 0.1 . 1 . . . . . . . . 4417 1 1162 . 1 1 110 110 GLY H H 1 7.96 0.02 . 1 . . . . . . . . 4417 1 1163 . 1 1 110 110 GLY HA2 H 1 4.36 0.02 . 2 . . . . . . . . 4417 1 1164 . 1 1 110 110 GLY HA3 H 1 3.79 0.02 . 2 . . . . . . . . 4417 1 1165 . 1 1 110 110 GLY C C 13 174.2 0.2 . 1 . . . . . . . . 4417 1 1166 . 1 1 110 110 GLY CA C 13 45.5 0.2 . 1 . . . . . . . . 4417 1 1167 . 1 1 110 110 GLY N N 15 108.4 0.1 . 1 . . . . . . . . 4417 1 1168 . 1 1 111 111 GLY H H 1 7.30 0.02 . 1 . . . . . . . . 4417 1 1169 . 1 1 111 111 GLY HA2 H 1 4.12 0.02 . 2 . . . . . . . . 4417 1 1170 . 1 1 111 111 GLY HA3 H 1 3.64 0.02 . 2 . . . . . . . . 4417 1 1171 . 1 1 111 111 GLY C C 13 174.1 0.2 . 1 . . . . . . . . 4417 1 1172 . 1 1 111 111 GLY CA C 13 43.5 0.2 . 1 . . . . . . . . 4417 1 1173 . 1 1 111 111 GLY N N 15 108.7 0.1 . 1 . . . . . . . . 4417 1 1174 . 1 1 112 112 SER H H 1 8.77 0.02 . 1 . . . . . . . . 4417 1 1175 . 1 1 112 112 SER HA H 1 5.57 0.02 . 1 . . . . . . . . 4417 1 1176 . 1 1 112 112 SER HB2 H 1 3.42 0.02 . 2 . . . . . . . . 4417 1 1177 . 1 1 112 112 SER HB3 H 1 3.63 0.02 . 2 . . . . . . . . 4417 1 1178 . 1 1 112 112 SER C C 13 174.0 0.2 . 1 . . . . . . . . 4417 1 1179 . 1 1 112 112 SER CA C 13 58.8 0.2 . 1 . . . . . . . . 4417 1 1180 . 1 1 112 112 SER CB C 13 67.5 0.2 . 1 . . . . . . . . 4417 1 1181 . 1 1 112 112 SER N N 15 116.6 0.1 . 1 . . . . . . . . 4417 1 1182 . 1 1 113 113 ILE H H 1 9.30 0.02 . 1 . . . . . . . . 4417 1 1183 . 1 1 113 113 ILE HA H 1 4.57 0.02 . 1 . . . . . . . . 4417 1 1184 . 1 1 113 113 ILE HB H 1 1.52 0.02 . 1 . . . . . . . . 4417 1 1185 . 1 1 113 113 ILE HG12 H 1 1.47 0.02 . 2 . . . . . . . . 4417 1 1186 . 1 1 113 113 ILE HG13 H 1 0.92 0.02 . 2 . . . . . . . . 4417 1 1187 . 1 1 113 113 ILE HG21 H 1 0.81 0.02 . 1 . . . . . . . . 4417 1 1188 . 1 1 113 113 ILE HG22 H 1 0.81 0.02 . 1 . . . . . . . . 4417 1 1189 . 1 1 113 113 ILE HG23 H 1 0.81 0.02 . 1 . . . . . . . . 4417 1 1190 . 1 1 113 113 ILE HD11 H 1 0.77 0.02 . 1 . . . . . . . . 4417 1 1191 . 1 1 113 113 ILE HD12 H 1 0.77 0.02 . 1 . . . . . . . . 4417 1 1192 . 1 1 113 113 ILE HD13 H 1 0.77 0.02 . 1 . . . . . . . . 4417 1 1193 . 1 1 113 113 ILE C C 13 174.3 0.2 . 1 . . . . . . . . 4417 1 1194 . 1 1 113 113 ILE CA C 13 60.4 0.2 . 1 . . . . . . . . 4417 1 1195 . 1 1 113 113 ILE CB C 13 42.0 0.2 . 1 . . . . . . . . 4417 1 1196 . 1 1 113 113 ILE CG1 C 13 28.2 0.2 . 1 . . . . . . . . 4417 1 1197 . 1 1 113 113 ILE CG2 C 13 17.8 0.2 . 1 . . . . . . . . 4417 1 1198 . 1 1 113 113 ILE CD1 C 13 14.9 0.2 . 1 . . . . . . . . 4417 1 1199 . 1 1 113 113 ILE N N 15 122.5 0.1 . 1 . . . . . . . . 4417 1 1200 . 1 1 114 114 LEU H H 1 9.10 0.02 . 1 . . . . . . . . 4417 1 1201 . 1 1 114 114 LEU HA H 1 5.03 0.02 . 1 . . . . . . . . 4417 1 1202 . 1 1 114 114 LEU HB2 H 1 1.52 0.02 . 2 . . . . . . . . 4417 1 1203 . 1 1 114 114 LEU HB3 H 1 1.35 0.02 . 2 . . . . . . . . 4417 1 1204 . 1 1 114 114 LEU HG H 1 1.46 0.02 . 1 . . . . . . . . 4417 1 1205 . 1 1 114 114 LEU HD11 H 1 0.62 0.02 . 2 . . . . . . . . 4417 1 1206 . 1 1 114 114 LEU HD12 H 1 0.62 0.02 . 2 . . . . . . . . 4417 1 1207 . 1 1 114 114 LEU HD13 H 1 0.62 0.02 . 2 . . . . . . . . 4417 1 1208 . 1 1 114 114 LEU HD21 H 1 0.60 0.02 . 2 . . . . . . . . 4417 1 1209 . 1 1 114 114 LEU HD22 H 1 0.60 0.02 . 2 . . . . . . . . 4417 1 1210 . 1 1 114 114 LEU HD23 H 1 0.60 0.02 . 2 . . . . . . . . 4417 1 1211 . 1 1 114 114 LEU C C 13 175.1 0.2 . 1 . . . . . . . . 4417 1 1212 . 1 1 114 114 LEU CA C 13 55.2 0.2 . 1 . . . . . . . . 4417 1 1213 . 1 1 114 114 LEU CB C 13 42.9 0.2 . 1 . . . . . . . . 4417 1 1214 . 1 1 114 114 LEU CG C 13 29.5 0.2 . 1 . . . . . . . . 4417 1 1215 . 1 1 114 114 LEU CD1 C 13 25.3 0.2 . 2 . . . . . . . . 4417 1 1216 . 1 1 114 114 LEU CD2 C 13 27.3 0.2 . 2 . . . . . . . . 4417 1 1217 . 1 1 114 114 LEU N N 15 127.7 0.1 . 1 . . . . . . . . 4417 1 1218 . 1 1 115 115 LYS H H 1 9.30 0.02 . 1 . . . . . . . . 4417 1 1219 . 1 1 115 115 LYS HA H 1 4.91 0.02 . 1 . . . . . . . . 4417 1 1220 . 1 1 115 115 LYS HB2 H 1 1.96 0.02 . 2 . . . . . . . . 4417 1 1221 . 1 1 115 115 LYS HB3 H 1 1.87 0.02 . 2 . . . . . . . . 4417 1 1222 . 1 1 115 115 LYS C C 13 175.7 0.2 . 1 . . . . . . . . 4417 1 1223 . 1 1 115 115 LYS CA C 13 55.4 0.2 . 1 . . . . . . . . 4417 1 1224 . 1 1 115 115 LYS CB C 13 33.1 0.2 . 1 . . . . . . . . 4417 1 1225 . 1 1 116 116 ILE H H 1 8.81 0.02 . 1 . . . . . . . . 4417 1 1226 . 1 1 116 116 ILE HA H 1 5.05 0.02 . 1 . . . . . . . . 4417 1 1227 . 1 1 116 116 ILE HB H 1 1.78 0.02 . 1 . . . . . . . . 4417 1 1228 . 1 1 116 116 ILE C C 13 175.3 0.2 . 1 . . . . . . . . 4417 1 1229 . 1 1 116 116 ILE CA C 13 60.8 0.2 . 1 . . . . . . . . 4417 1 1230 . 1 1 116 116 ILE CB C 13 40.8 0.2 . 1 . . . . . . . . 4417 1 1231 . 1 1 116 116 ILE N N 15 127.1 0.1 . 1 . . . . . . . . 4417 1 1232 . 1 1 117 117 SER H H 1 9.14 0.02 . 1 . . . . . . . . 4417 1 1233 . 1 1 117 117 SER HA H 1 5.38 0.02 . 1 . . . . . . . . 4417 1 1234 . 1 1 117 117 SER HB2 H 1 3.87 0.02 . 2 . . . . . . . . 4417 1 1235 . 1 1 117 117 SER HB3 H 1 3.93 0.02 . 2 . . . . . . . . 4417 1 1236 . 1 1 117 117 SER C C 13 173.9 0.2 . 1 . . . . . . . . 4417 1 1237 . 1 1 117 117 SER CA C 13 56.5 0.2 . 1 . . . . . . . . 4417 1 1238 . 1 1 117 117 SER CB C 13 64.5 0.2 . 1 . . . . . . . . 4417 1 1239 . 1 1 117 117 SER N N 15 123.3 0.1 . 1 . . . . . . . . 4417 1 1240 . 1 1 118 118 ASN H H 1 9.28 0.02 . 1 . . . . . . . . 4417 1 1241 . 1 1 118 118 ASN HA H 1 5.50 0.02 . 1 . . . . . . . . 4417 1 1242 . 1 1 118 118 ASN HB2 H 1 2.87 0.02 . 2 . . . . . . . . 4417 1 1243 . 1 1 118 118 ASN HB3 H 1 2.61 0.02 . 2 . . . . . . . . 4417 1 1244 . 1 1 118 118 ASN HD21 H 1 7.92 0.02 . 2 . . . . . . . . 4417 1 1245 . 1 1 118 118 ASN HD22 H 1 6.52 0.02 . 2 . . . . . . . . 4417 1 1246 . 1 1 118 118 ASN C C 13 173.0 0.2 . 1 . . . . . . . . 4417 1 1247 . 1 1 118 118 ASN CA C 13 52.4 0.2 . 1 . . . . . . . . 4417 1 1248 . 1 1 118 118 ASN CB C 13 42.6 0.2 . 1 . . . . . . . . 4417 1 1249 . 1 1 118 118 ASN N N 15 125.5 0.1 . 1 . . . . . . . . 4417 1 1250 . 1 1 118 118 ASN ND2 N 15 112.0 0.1 . 1 . . . . . . . . 4417 1 1251 . 1 1 119 119 LYS H H 1 9.03 0.02 . 1 . . . . . . . . 4417 1 1252 . 1 1 119 119 LYS HA H 1 5.29 0.02 . 1 . . . . . . . . 4417 1 1253 . 1 1 119 119 LYS HB2 H 1 1.86 0.02 . 2 . . . . . . . . 4417 1 1254 . 1 1 119 119 LYS HB3 H 1 1.56 0.02 . 2 . . . . . . . . 4417 1 1255 . 1 1 119 119 LYS C C 13 174.7 0.2 . 1 . . . . . . . . 4417 1 1256 . 1 1 119 119 LYS CA C 13 55.3 0.2 . 1 . . . . . . . . 4417 1 1257 . 1 1 119 119 LYS CB C 13 33.6 0.2 . 1 . . . . . . . . 4417 1 1258 . 1 1 119 119 LYS N N 15 124.8 0.1 . . . . . . . . . . 4417 1 1259 . 1 1 120 120 TYR H H 1 9.64 0.02 . 1 . . . . . . . . 4417 1 1260 . 1 1 120 120 TYR HA H 1 4.51 0.02 . 1 . . . . . . . . 4417 1 1261 . 1 1 120 120 TYR HB2 H 1 3.34 0.02 . 2 . . . . . . . . 4417 1 1262 . 1 1 120 120 TYR HB3 H 1 2.74 0.02 . 2 . . . . . . . . 4417 1 1263 . 1 1 120 120 TYR HD1 H 1 7.24 0.02 . 1 . . . . . . . . 4417 1 1264 . 1 1 120 120 TYR HD2 H 1 7.24 0.02 . 1 . . . . . . . . 4417 1 1265 . 1 1 120 120 TYR HE1 H 1 6.63 0.02 . 1 . . . . . . . . 4417 1 1266 . 1 1 120 120 TYR HE2 H 1 6.63 0.02 . 1 . . . . . . . . 4417 1 1267 . 1 1 120 120 TYR C C 13 174.7 0.2 . 1 . . . . . . . . 4417 1 1268 . 1 1 120 120 TYR CA C 13 58.4 0.2 . 1 . . . . . . . . 4417 1 1269 . 1 1 120 120 TYR CB C 13 40.3 0.2 . 1 . . . . . . . . 4417 1 1270 . 1 1 120 120 TYR N N 15 127.1 0.1 . 1 . . . . . . . . 4417 1 1271 . 1 1 121 121 HIS H H 1 8.57 0.02 . 1 . . . . . . . . 4417 1 1272 . 1 1 121 121 HIS HA H 1 5.28 0.02 . 1 . . . . . . . . 4417 1 1273 . 1 1 121 121 HIS HB2 H 1 3.26 0.02 . 1 . . . . . . . . 4417 1 1274 . 1 1 121 121 HIS HB3 H 1 3.26 0.02 . 1 . . . . . . . . 4417 1 1275 . 1 1 121 121 HIS HD2 H 1 6.81 0.02 . 1 . . . . . . . . 4417 1 1276 . 1 1 121 121 HIS HE1 H 1 7.58 0.02 . 1 . . . . . . . . 4417 1 1277 . 1 1 121 121 HIS C C 13 175.5 0.2 . 1 . . . . . . . . 4417 1 1278 . 1 1 121 121 HIS CA C 13 55.0 0.2 . 1 . . . . . . . . 4417 1 1279 . 1 1 121 121 HIS CB C 13 29.5 0.2 . 1 . . . . . . . . 4417 1 1280 . 1 1 121 121 HIS N N 15 124.7 0.1 . 1 . . . . . . . . 4417 1 1281 . 1 1 122 122 THR H H 1 9.24 0.02 . 1 . . . . . . . . 4417 1 1282 . 1 1 122 122 THR HA H 1 5.11 0.02 . 1 . . . . . . . . 4417 1 1283 . 1 1 122 122 THR HB H 1 4.46 0.02 . 1 . . . . . . . . 4417 1 1284 . 1 1 122 122 THR HG21 H 1 1.22 0.02 . 1 . . . . . . . . 4417 1 1285 . 1 1 122 122 THR HG22 H 1 1.22 0.02 . 1 . . . . . . . . 4417 1 1286 . 1 1 122 122 THR HG23 H 1 1.22 0.02 . 1 . . . . . . . . 4417 1 1287 . 1 1 122 122 THR C C 13 175.2 0.2 . 1 . . . . . . . . 4417 1 1288 . 1 1 122 122 THR CA C 13 60.1 0.2 . 1 . . . . . . . . 4417 1 1289 . 1 1 122 122 THR CB C 13 71.0 0.2 . 1 . . . . . . . . 4417 1 1290 . 1 1 122 122 THR CG2 C 13 22.9 0.2 . 1 . . . . . . . . 4417 1 1291 . 1 1 122 122 THR N N 15 116.6 0.1 . 1 . . . . . . . . 4417 1 1292 . 1 1 123 123 LYS H H 1 8.22 0.02 . 1 . . . . . . . . 4417 1 1293 . 1 1 123 123 LYS HA H 1 4.50 0.02 . 1 . . . . . . . . 4417 1 1294 . 1 1 123 123 LYS HB2 H 1 1.88 0.02 . 2 . . . . . . . . 4417 1 1295 . 1 1 123 123 LYS HB3 H 1 1.65 0.02 . 2 . . . . . . . . 4417 1 1296 . 1 1 123 123 LYS C C 13 176.7 0.2 . 1 . . . . . . . . 4417 1 1297 . 1 1 123 123 LYS CA C 13 55.8 0.2 . 1 . . . . . . . . 4417 1 1298 . 1 1 123 123 LYS CB C 13 33.6 0.2 . 1 . . . . . . . . 4417 1 1299 . 1 1 123 123 LYS N N 15 122.1 0.1 . 1 . . . . . . . . 4417 1 1300 . 1 1 124 124 GLY H H 1 8.76 0.02 . 1 . . . . . . . . 4417 1 1301 . 1 1 124 124 GLY HA2 H 1 3.89 0.02 . 2 . . . . . . . . 4417 1 1302 . 1 1 124 124 GLY HA3 H 1 3.79 0.02 . 2 . . . . . . . . 4417 1 1303 . 1 1 124 124 GLY C C 13 174.5 0.2 . 1 . . . . . . . . 4417 1 1304 . 1 1 124 124 GLY CA C 13 47.0 0.2 . 1 . . . . . . . . 4417 1 1305 . 1 1 124 124 GLY N N 15 112.7 0.1 . 1 . . . . . . . . 4417 1 1306 . 1 1 125 125 ASP H H 1 8.64 0.02 . 1 . . . . . . . . 4417 1 1307 . 1 1 125 125 ASP C C 13 176.5 0.2 . 1 . . . . . . . . 4417 1 1308 . 1 1 125 125 ASP CA C 13 53.5 0.2 . 1 . . . . . . . . 4417 1 1309 . 1 1 125 125 ASP CB C 13 40.6 0.2 . 1 . . . . . . . . 4417 1 1310 . 1 1 125 125 ASP N N 15 125.5 0.1 . 1 . . . . . . . . 4417 1 1311 . 1 1 126 126 HIS H H 1 8.00 0.02 . 1 . . . . . . . . 4417 1 1312 . 1 1 126 126 HIS HA H 1 4.40 0.02 . 1 . . . . . . . . 4417 1 1313 . 1 1 126 126 HIS HB2 H 1 3.38 0.02 . 2 . . . . . . . . 4417 1 1314 . 1 1 126 126 HIS HB3 H 1 3.13 0.02 . 2 . . . . . . . . 4417 1 1315 . 1 1 126 126 HIS C C 13 175.9 0.2 . 1 . . . . . . . . 4417 1 1316 . 1 1 126 126 HIS CA C 13 58.5 0.2 . 1 . . . . . . . . 4417 1 1317 . 1 1 126 126 HIS CB C 13 31.4 0.2 . 1 . . . . . . . . 4417 1 1318 . 1 1 126 126 HIS N N 15 119.9 0.1 . 1 . . . . . . . . 4417 1 1319 . 1 1 127 127 GLU H H 1 8.62 0.02 . 1 . . . . . . . . 4417 1 1320 . 1 1 127 127 GLU HA H 1 4.26 0.02 . 1 . . . . . . . . 4417 1 1321 . 1 1 127 127 GLU HB2 H 1 1.88 0.02 . 2 . . . . . . . . 4417 1 1322 . 1 1 127 127 GLU HB3 H 1 1.73 0.02 . 2 . . . . . . . . 4417 1 1323 . 1 1 127 127 GLU HG2 H 1 2.16 0.02 . 2 . . . . . . . . 4417 1 1324 . 1 1 127 127 GLU HG3 H 1 2.61 0.02 . 2 . . . . . . . . 4417 1 1325 . 1 1 127 127 GLU C C 13 176.2 0.2 . 1 . . . . . . . . 4417 1 1326 . 1 1 127 127 GLU CA C 13 54.8 0.2 . 1 . . . . . . . . 4417 1 1327 . 1 1 127 127 GLU CB C 13 31.6 0.2 . 1 . . . . . . . . 4417 1 1328 . 1 1 127 127 GLU CG C 13 36.2 0.2 . 1 . . . . . . . . 4417 1 1329 . 1 1 127 127 GLU N N 15 122.3 0.1 . 1 . . . . . . . . 4417 1 1330 . 1 1 128 128 VAL H H 1 7.41 0.02 . 1 . . . . . . . . 4417 1 1331 . 1 1 128 128 VAL HA H 1 3.75 0.02 . 1 . . . . . . . . 4417 1 1332 . 1 1 128 128 VAL HB H 1 1.40 0.02 . 1 . . . . . . . . 4417 1 1333 . 1 1 128 128 VAL HG11 H 1 0.53 0.02 . 2 . . . . . . . . 4417 1 1334 . 1 1 128 128 VAL HG12 H 1 0.53 0.02 . 2 . . . . . . . . 4417 1 1335 . 1 1 128 128 VAL HG13 H 1 0.53 0.02 . 2 . . . . . . . . 4417 1 1336 . 1 1 128 128 VAL HG21 H 1 0.24 0.02 . 2 . . . . . . . . 4417 1 1337 . 1 1 128 128 VAL HG22 H 1 0.24 0.02 . 2 . . . . . . . . 4417 1 1338 . 1 1 128 128 VAL HG23 H 1 0.24 0.02 . 2 . . . . . . . . 4417 1 1339 . 1 1 128 128 VAL C C 13 175.8 0.2 . 1 . . . . . . . . 4417 1 1340 . 1 1 128 128 VAL CA C 13 61.5 0.2 . 1 . . . . . . . . 4417 1 1341 . 1 1 128 128 VAL CB C 13 32.3 0.2 . 1 . . . . . . . . 4417 1 1342 . 1 1 128 128 VAL CG1 C 13 22.5 0.2 . 2 . . . . . . . . 4417 1 1343 . 1 1 128 128 VAL CG2 C 13 21.0 0.2 . 2 . . . . . . . . 4417 1 1344 . 1 1 128 128 VAL N N 15 121.4 0.1 . 1 . . . . . . . . 4417 1 1345 . 1 1 129 129 LYS H H 1 8.57 0.02 . 1 . . . . . . . . 4417 1 1346 . 1 1 129 129 LYS HA H 1 4.25 0.02 . 1 . . . . . . . . 4417 1 1347 . 1 1 129 129 LYS HB2 H 1 1.66 0.02 . 1 . . . . . . . . 4417 1 1348 . 1 1 129 129 LYS HB3 H 1 1.66 0.02 . 1 . . . . . . . . 4417 1 1349 . 1 1 129 129 LYS C C 13 177.7 0.2 . 1 . . . . . . . . 4417 1 1350 . 1 1 129 129 LYS CA C 13 55.8 0.2 . 1 . . . . . . . . 4417 1 1351 . 1 1 129 129 LYS CB C 13 32.3 0.2 . 1 . . . . . . . . 4417 1 1352 . 1 1 129 129 LYS N N 15 127.8 0.1 . 1 . . . . . . . . 4417 1 1353 . 1 1 130 130 ALA H H 1 8.86 0.02 . 1 . . . . . . . . 4417 1 1354 . 1 1 130 130 ALA HA H 1 3.78 0.02 . 1 . . . . . . . . 4417 1 1355 . 1 1 130 130 ALA HB1 H 1 1.38 0.02 . 1 . . . . . . . . 4417 1 1356 . 1 1 130 130 ALA HB2 H 1 1.38 0.02 . 1 . . . . . . . . 4417 1 1357 . 1 1 130 130 ALA HB3 H 1 1.38 0.02 . 1 . . . . . . . . 4417 1 1358 . 1 1 130 130 ALA C C 13 180.4 0.2 . 1 . . . . . . . . 4417 1 1359 . 1 1 130 130 ALA CA C 13 55.4 0.2 . 1 . . . . . . . . 4417 1 1360 . 1 1 130 130 ALA CB C 13 18.2 0.2 . 1 . . . . . . . . 4417 1 1361 . 1 1 130 130 ALA N N 15 129.7 0.1 . 1 . . . . . . . . 4417 1 1362 . 1 1 131 131 GLU H H 1 9.54 0.02 . 1 . . . . . . . . 4417 1 1363 . 1 1 131 131 GLU C C 13 179.1 0.2 . 1 . . . . . . . . 4417 1 1364 . 1 1 131 131 GLU CA C 13 59.6 0.2 . 1 . . . . . . . . 4417 1 1365 . 1 1 131 131 GLU CB C 13 28.7 0.2 . 1 . . . . . . . . 4417 1 1366 . 1 1 131 131 GLU N N 15 117.2 0.1 . 1 . . . . . . . . 4417 1 1367 . 1 1 132 132 GLN H H 1 7.45 0.02 . 1 . . . . . . . . 4417 1 1368 . 1 1 132 132 GLN HA H 1 4.13 0.02 . 1 . . . . . . . . 4417 1 1369 . 1 1 132 132 GLN HB2 H 1 2.26 0.02 . 2 . . . . . . . . 4417 1 1370 . 1 1 132 132 GLN HB3 H 1 2.00 0.02 . 2 . . . . . . . . 4417 1 1371 . 1 1 132 132 GLN HG2 H 1 2.36 0.02 . 1 . . . . . . . . 4417 1 1372 . 1 1 132 132 GLN HG3 H 1 2.36 0.02 . 1 . . . . . . . . 4417 1 1373 . 1 1 132 132 GLN HE21 H 1 7.65 0.02 . 2 . . . . . . . . 4417 1 1374 . 1 1 132 132 GLN HE22 H 1 6.70 0.02 . 2 . . . . . . . . 4417 1 1375 . 1 1 132 132 GLN C C 13 178.2 0.2 . 1 . . . . . . . . 4417 1 1376 . 1 1 132 132 GLN CA C 13 58.2 0.2 . 1 . . . . . . . . 4417 1 1377 . 1 1 132 132 GLN CB C 13 27.9 0.2 . 1 . . . . . . . . 4417 1 1378 . 1 1 132 132 GLN CG C 13 34.2 0.2 . 1 . . . . . . . . 4417 1 1379 . 1 1 132 132 GLN N N 15 120.2 0.1 . 1 . . . . . . . . 4417 1 1380 . 1 1 132 132 GLN NE2 N 15 111.3 0.1 . 1 . . . . . . . . 4417 1 1381 . 1 1 133 133 VAL H H 1 6.94 0.02 . 1 . . . . . . . . 4417 1 1382 . 1 1 133 133 VAL HA H 1 3.52 0.02 . 1 . . . . . . . . 4417 1 1383 . 1 1 133 133 VAL HB H 1 1.73 0.02 . 1 . . . . . . . . 4417 1 1384 . 1 1 133 133 VAL HG11 H 1 0.36 0.02 . 2 . . . . . . . . 4417 1 1385 . 1 1 133 133 VAL HG12 H 1 0.36 0.02 . 2 . . . . . . . . 4417 1 1386 . 1 1 133 133 VAL HG13 H 1 0.36 0.02 . 2 . . . . . . . . 4417 1 1387 . 1 1 133 133 VAL HG21 H 1 0.08 0.02 . 2 . . . . . . . . 4417 1 1388 . 1 1 133 133 VAL HG22 H 1 0.08 0.02 . 2 . . . . . . . . 4417 1 1389 . 1 1 133 133 VAL HG23 H 1 0.08 0.02 . 2 . . . . . . . . 4417 1 1390 . 1 1 133 133 VAL C C 13 178.8 0.2 . 1 . . . . . . . . 4417 1 1391 . 1 1 133 133 VAL CA C 13 65.4 0.2 . 1 . . . . . . . . 4417 1 1392 . 1 1 133 133 VAL CB C 13 31.7 0.2 . 1 . . . . . . . . 4417 1 1393 . 1 1 133 133 VAL CG1 C 13 20.4 0.2 . 2 . . . . . . . . 4417 1 1394 . 1 1 133 133 VAL CG2 C 13 21.1 0.2 . 2 . . . . . . . . 4417 1 1395 . 1 1 133 133 VAL N N 15 122.0 0.1 . 1 . . . . . . . . 4417 1 1396 . 1 1 134 134 LYS H H 1 7.86 0.02 . 1 . . . . . . . . 4417 1 1397 . 1 1 134 134 LYS HA H 1 4.15 0.02 . 1 . . . . . . . . 4417 1 1398 . 1 1 134 134 LYS HB2 H 1 2.03 0.02 . 1 . . . . . . . . 4417 1 1399 . 1 1 134 134 LYS HB3 H 1 2.03 0.02 . 1 . . . . . . . . 4417 1 1400 . 1 1 134 134 LYS C C 13 178.0 0.2 . 1 . . . . . . . . 4417 1 1401 . 1 1 134 134 LYS CA C 13 59.5 0.2 . 1 . . . . . . . . 4417 1 1402 . 1 1 134 134 LYS CB C 13 32.8 0.2 . 1 . . . . . . . . 4417 1 1403 . 1 1 134 134 LYS N N 15 120.9 0.1 . 1 . . . . . . . . 4417 1 1404 . 1 1 135 135 ALA H H 1 7.71 0.02 . 1 . . . . . . . . 4417 1 1405 . 1 1 135 135 ALA HA H 1 4.15 0.02 . 1 . . . . . . . . 4417 1 1406 . 1 1 135 135 ALA HB1 H 1 1.38 0.02 . 1 . . . . . . . . 4417 1 1407 . 1 1 135 135 ALA HB2 H 1 1.38 0.02 . 1 . . . . . . . . 4417 1 1408 . 1 1 135 135 ALA HB3 H 1 1.38 0.02 . 1 . . . . . . . . 4417 1 1409 . 1 1 135 135 ALA C C 13 181.0 0.2 . 1 . . . . . . . . 4417 1 1410 . 1 1 135 135 ALA CA C 13 55.1 0.2 . 1 . . . . . . . . 4417 1 1411 . 1 1 135 135 ALA CB C 13 18.0 0.2 . 1 . . . . . . . . 4417 1 1412 . 1 1 135 135 ALA N N 15 120.6 0.1 . 1 . . . . . . . . 4417 1 1413 . 1 1 136 136 SER H H 1 7.66 0.02 . 1 . . . . . . . . 4417 1 1414 . 1 1 136 136 SER HA H 1 4.29 0.02 . 1 . . . . . . . . 4417 1 1415 . 1 1 136 136 SER HB2 H 1 4.03 0.02 . 1 . . . . . . . . 4417 1 1416 . 1 1 136 136 SER HB3 H 1 4.03 0.02 . 1 . . . . . . . . 4417 1 1417 . 1 1 136 136 SER C C 13 177.3 0.2 . 1 . . . . . . . . 4417 1 1418 . 1 1 136 136 SER CA C 13 61.7 0.2 . 1 . . . . . . . . 4417 1 1419 . 1 1 136 136 SER CB C 13 63.0 0.2 . 1 . . . . . . . . 4417 1 1420 . 1 1 136 136 SER N N 15 114.0 0.1 . 1 . . . . . . . . 4417 1 1421 . 1 1 137 137 LYS H H 1 8.00 0.02 . 1 . . . . . . . . 4417 1 1422 . 1 1 137 137 LYS HA H 1 4.17 0.02 . 1 . . . . . . . . 4417 1 1423 . 1 1 137 137 LYS HB2 H 1 1.99 0.02 . 1 . . . . . . . . 4417 1 1424 . 1 1 137 137 LYS HB3 H 1 1.99 0.02 . 1 . . . . . . . . 4417 1 1425 . 1 1 137 137 LYS HG2 H 1 1.42 0.02 . 2 . . . . . . . . 4417 1 1426 . 1 1 137 137 LYS HG3 H 1 1.56 0.02 . 2 . . . . . . . . 4417 1 1427 . 1 1 137 137 LYS C C 13 179.7 0.2 . 1 . . . . . . . . 4417 1 1428 . 1 1 137 137 LYS CA C 13 59.4 0.2 . 1 . . . . . . . . 4417 1 1429 . 1 1 137 137 LYS CB C 13 32.6 0.2 . 1 . . . . . . . . 4417 1 1430 . 1 1 137 137 LYS CG C 13 24.8 0.2 . 1 . . . . . . . . 4417 1 1431 . 1 1 137 137 LYS N N 15 125.0 0.1 . 1 . . . . . . . . 4417 1 1432 . 1 1 138 138 GLU H H 1 8.52 0.02 . 1 . . . . . . . . 4417 1 1433 . 1 1 138 138 GLU HA H 1 4.09 0.02 . 1 . . . . . . . . 4417 1 1434 . 1 1 138 138 GLU HB2 H 1 2.06 0.02 . 1 . . . . . . . . 4417 1 1435 . 1 1 138 138 GLU HB3 H 1 2.06 0.02 . 1 . . . . . . . . 4417 1 1436 . 1 1 138 138 GLU HG2 H 1 2.48 0.02 . 2 . . . . . . . . 4417 1 1437 . 1 1 138 138 GLU HG3 H 1 2.25 0.02 . 2 . . . . . . . . 4417 1 1438 . 1 1 138 138 GLU C C 13 179.3 0.2 . 1 . . . . . . . . 4417 1 1439 . 1 1 138 138 GLU CA C 13 59.4 0.2 . 1 . . . . . . . . 4417 1 1440 . 1 1 138 138 GLU CB C 13 29.3 0.2 . 1 . . . . . . . . 4417 1 1441 . 1 1 138 138 GLU CG C 13 36.9 0.2 . 1 . . . . . . . . 4417 1 1442 . 1 1 138 138 GLU N N 15 120.1 0.1 . 1 . . . . . . . . 4417 1 1443 . 1 1 139 139 LEU H H 1 7.96 0.02 . 1 . . . . . . . . 4417 1 1444 . 1 1 139 139 LEU HA H 1 4.21 0.02 . 1 . . . . . . . . 4417 1 1445 . 1 1 139 139 LEU HB2 H 1 1.95 0.02 . 2 . . . . . . . . 4417 1 1446 . 1 1 139 139 LEU HB3 H 1 1.73 0.02 . 2 . . . . . . . . 4417 1 1447 . 1 1 139 139 LEU C C 13 178.4 0.2 . 1 . . . . . . . . 4417 1 1448 . 1 1 139 139 LEU CA C 13 58.2 0.2 . 1 . . . . . . . . 4417 1 1449 . 1 1 139 139 LEU CB C 13 41.4 0.2 . 1 . . . . . . . . 4417 1 1450 . 1 1 139 139 LEU N N 15 122.5 0.1 . 1 . . . . . . . . 4417 1 1451 . 1 1 140 140 GLY H H 1 7.80 0.02 . 1 . . . . . . . . 4417 1 1452 . 1 1 140 140 GLY HA2 H 1 3.73 0.02 . 2 . . . . . . . . 4417 1 1453 . 1 1 140 140 GLY HA3 H 1 4.00 0.02 . 2 . . . . . . . . 4417 1 1454 . 1 1 140 140 GLY C C 13 176.3 0.2 . 1 . . . . . . . . 4417 1 1455 . 1 1 140 140 GLY CA C 13 47.9 0.2 . 1 . . . . . . . . 4417 1 1456 . 1 1 140 140 GLY N N 15 105.1 0.1 . 1 . . . . . . . . 4417 1 1457 . 1 1 141 141 GLU H H 1 7.83 0.02 . 1 . . . . . . . . 4417 1 1458 . 1 1 141 141 GLU HA H 1 4.16 0.02 . 1 . . . . . . . . 4417 1 1459 . 1 1 141 141 GLU C C 13 178.1 0.2 . 1 . . . . . . . . 4417 1 1460 . 1 1 141 141 GLU CA C 13 59.7 0.2 . 1 . . . . . . . . 4417 1 1461 . 1 1 141 141 GLU CB C 13 29.4 0.2 . 1 . . . . . . . . 4417 1 1462 . 1 1 141 141 GLU N N 15 122.7 0.1 . 1 . . . . . . . . 4417 1 1463 . 1 1 142 142 THR H H 1 8.43 0.02 . 1 . . . . . . . . 4417 1 1464 . 1 1 142 142 THR HA H 1 3.84 0.02 . 1 . . . . . . . . 4417 1 1465 . 1 1 142 142 THR HB H 1 4.43 0.02 . 1 . . . . . . . . 4417 1 1466 . 1 1 142 142 THR HG21 H 1 1.15 0.02 . 1 . . . . . . . . 4417 1 1467 . 1 1 142 142 THR HG22 H 1 1.15 0.02 . 1 . . . . . . . . 4417 1 1468 . 1 1 142 142 THR HG23 H 1 1.15 0.02 . 1 . . . . . . . . 4417 1 1469 . 1 1 142 142 THR C C 13 177.6 0.2 . 1 . . . . . . . . 4417 1 1470 . 1 1 142 142 THR CA C 13 66.9 0.2 . 1 . . . . . . . . 4417 1 1471 . 1 1 142 142 THR CB C 13 68.7 0.2 . 1 . . . . . . . . 4417 1 1472 . 1 1 142 142 THR CG2 C 13 20.8 0.2 . 1 . . . . . . . . 4417 1 1473 . 1 1 142 142 THR N N 15 118.6 0.1 . 1 . . . . . . . . 4417 1 1474 . 1 1 143 143 LEU H H 1 8.32 0.02 . 1 . . . . . . . . 4417 1 1475 . 1 1 143 143 LEU HA H 1 3.80 0.02 . 1 . . . . . . . . 4417 1 1476 . 1 1 143 143 LEU HB2 H 1 1.76 0.02 . 1 . . . . . . . . 4417 1 1477 . 1 1 143 143 LEU HB3 H 1 1.76 0.02 . 1 . . . . . . . . 4417 1 1478 . 1 1 143 143 LEU HG H 1 1.67 0.02 . 1 . . . . . . . . 4417 1 1479 . 1 1 143 143 LEU HD11 H 1 0.20 0.02 . 2 . . . . . . . . 4417 1 1480 . 1 1 143 143 LEU HD12 H 1 0.20 0.02 . 2 . . . . . . . . 4417 1 1481 . 1 1 143 143 LEU HD13 H 1 0.20 0.02 . 2 . . . . . . . . 4417 1 1482 . 1 1 143 143 LEU HD21 H 1 0.01 0.02 . 2 . . . . . . . . 4417 1 1483 . 1 1 143 143 LEU HD22 H 1 0.01 0.02 . 2 . . . . . . . . 4417 1 1484 . 1 1 143 143 LEU HD23 H 1 0.01 0.02 . 2 . . . . . . . . 4417 1 1485 . 1 1 143 143 LEU C C 13 178.4 0.2 . 1 . . . . . . . . 4417 1 1486 . 1 1 143 143 LEU CA C 13 58.1 0.2 . 1 . . . . . . . . 4417 1 1487 . 1 1 143 143 LEU CB C 13 40.8 0.2 . 1 . . . . . . . . 4417 1 1488 . 1 1 143 143 LEU CG C 13 25.5 0.2 . 1 . . . . . . . . 4417 1 1489 . 1 1 143 143 LEU CD1 C 13 21.3 0.2 . 2 . . . . . . . . 4417 1 1490 . 1 1 143 143 LEU CD2 C 13 24.1 0.2 . 2 . . . . . . . . 4417 1 1491 . 1 1 143 143 LEU N N 15 121.1 0.1 . . . . . . . . . . 4417 1 1492 . 1 1 144 144 LEU H H 1 8.26 0.02 . 1 . . . . . . . . 4417 1 1493 . 1 1 144 144 LEU HA H 1 3.86 0.02 . 1 . . . . . . . . 4417 1 1494 . 1 1 144 144 LEU HB2 H 1 1.89 0.02 . 1 . . . . . . . . 4417 1 1495 . 1 1 144 144 LEU HB3 H 1 1.89 0.02 . 1 . . . . . . . . 4417 1 1496 . 1 1 144 144 LEU HG H 1 1.28 0.02 . 1 . . . . . . . . 4417 1 1497 . 1 1 144 144 LEU HD11 H 1 0.43 0.02 . 2 . . . . . . . . 4417 1 1498 . 1 1 144 144 LEU HD12 H 1 0.43 0.02 . 2 . . . . . . . . 4417 1 1499 . 1 1 144 144 LEU HD13 H 1 0.43 0.02 . 2 . . . . . . . . 4417 1 1500 . 1 1 144 144 LEU HD21 H 1 0.66 0.02 . 2 . . . . . . . . 4417 1 1501 . 1 1 144 144 LEU HD22 H 1 0.66 0.02 . 2 . . . . . . . . 4417 1 1502 . 1 1 144 144 LEU HD23 H 1 0.66 0.02 . 2 . . . . . . . . 4417 1 1503 . 1 1 144 144 LEU C C 13 178.8 0.2 . 1 . . . . . . . . 4417 1 1504 . 1 1 144 144 LEU CA C 13 58.2 0.2 . 1 . . . . . . . . 4417 1 1505 . 1 1 144 144 LEU CB C 13 40.8 0.2 . 1 . . . . . . . . 4417 1 1506 . 1 1 144 144 LEU CG C 13 25.5 0.2 . 1 . . . . . . . . 4417 1 1507 . 1 1 144 144 LEU CD1 C 13 22.7 0.2 . 2 . . . . . . . . 4417 1 1508 . 1 1 144 144 LEU CD2 C 13 26.3 0.2 . 2 . . . . . . . . 4417 1 1509 . 1 1 144 144 LEU N N 15 120.7 0.1 . 1 . . . . . . . . 4417 1 1510 . 1 1 145 145 ARG H H 1 8.60 0.02 . 1 . . . . . . . . 4417 1 1511 . 1 1 145 145 ARG HA H 1 4.15 0.02 . 1 . . . . . . . . 4417 1 1512 . 1 1 145 145 ARG HB2 H 1 2.05 0.02 . 1 . . . . . . . . 4417 1 1513 . 1 1 145 145 ARG HB3 H 1 2.05 0.02 . 1 . . . . . . . . 4417 1 1514 . 1 1 145 145 ARG C C 13 179.6 0.2 . 1 . . . . . . . . 4417 1 1515 . 1 1 145 145 ARG CA C 13 58.2 0.2 . 1 . . . . . . . . 4417 1 1516 . 1 1 145 145 ARG CB C 13 28.5 0.2 . 1 . . . . . . . . 4417 1 1517 . 1 1 145 145 ARG N N 15 116.7 0.1 . 1 . . . . . . . . 4417 1 1518 . 1 1 146 146 ALA H H 1 8.07 0.02 . 1 . . . . . . . . 4417 1 1519 . 1 1 146 146 ALA HA H 1 4.36 0.02 . 1 . . . . . . . . 4417 1 1520 . 1 1 146 146 ALA HB1 H 1 1.58 0.02 . 1 . . . . . . . . 4417 1 1521 . 1 1 146 146 ALA HB2 H 1 1.58 0.02 . 1 . . . . . . . . 4417 1 1522 . 1 1 146 146 ALA HB3 H 1 1.58 0.02 . 1 . . . . . . . . 4417 1 1523 . 1 1 146 146 ALA C C 13 181.1 0.2 . 1 . . . . . . . . 4417 1 1524 . 1 1 146 146 ALA CA C 13 55.1 0.2 . 1 . . . . . . . . 4417 1 1525 . 1 1 146 146 ALA CB C 13 18.5 0.2 . 1 . . . . . . . . 4417 1 1526 . 1 1 146 146 ALA N N 15 123.4 0.1 . 1 . . . . . . . . 4417 1 1527 . 1 1 147 147 VAL H H 1 8.46 0.02 . 1 . . . . . . . . 4417 1 1528 . 1 1 147 147 VAL HA H 1 3.65 0.02 . 1 . . . . . . . . 4417 1 1529 . 1 1 147 147 VAL HB H 1 2.44 0.02 . 1 . . . . . . . . 4417 1 1530 . 1 1 147 147 VAL HG11 H 1 1.27 0.02 . 2 . . . . . . . . 4417 1 1531 . 1 1 147 147 VAL HG12 H 1 1.27 0.02 . 2 . . . . . . . . 4417 1 1532 . 1 1 147 147 VAL HG13 H 1 1.27 0.02 . 2 . . . . . . . . 4417 1 1533 . 1 1 147 147 VAL HG21 H 1 0.88 0.02 . 2 . . . . . . . . 4417 1 1534 . 1 1 147 147 VAL HG22 H 1 0.88 0.02 . 2 . . . . . . . . 4417 1 1535 . 1 1 147 147 VAL HG23 H 1 0.88 0.02 . 2 . . . . . . . . 4417 1 1536 . 1 1 147 147 VAL C C 13 177.2 0.2 . 1 . . . . . . . . 4417 1 1537 . 1 1 147 147 VAL CA C 13 67.5 0.2 . 1 . . . . . . . . 4417 1 1538 . 1 1 147 147 VAL CB C 13 31.6 0.2 . 1 . . . . . . . . 4417 1 1539 . 1 1 147 147 VAL CG1 C 13 25.0 0.2 . 2 . . . . . . . . 4417 1 1540 . 1 1 147 147 VAL CG2 C 13 22.1 0.2 . 2 . . . . . . . . 4417 1 1541 . 1 1 147 147 VAL N N 15 120.9 0.1 . 1 . . . . . . . . 4417 1 1542 . 1 1 148 148 GLU H H 1 9.30 0.02 . 1 . . . . . . . . 4417 1 1543 . 1 1 148 148 GLU HA H 1 3.71 0.02 . 1 . . . . . . . . 4417 1 1544 . 1 1 148 148 GLU HB2 H 1 2.19 0.02 . 2 . . . . . . . . 4417 1 1545 . 1 1 148 148 GLU HB3 H 1 2.05 0.02 . 2 . . . . . . . . 4417 1 1546 . 1 1 148 148 GLU C C 13 177.5 0.2 . 1 . . . . . . . . 4417 1 1547 . 1 1 148 148 GLU CA C 13 61.0 0.2 . 1 . . . . . . . . 4417 1 1548 . 1 1 148 148 GLU CB C 13 31.4 0.2 . 1 . . . . . . . . 4417 1 1549 . 1 1 148 148 GLU N N 15 121.8 0.1 . 1 . . . . . . . . 4417 1 1550 . 1 1 149 149 SER H H 1 8.34 0.02 . 1 . . . . . . . . 4417 1 1551 . 1 1 149 149 SER HA H 1 4.17 0.02 . 1 . . . . . . . . 4417 1 1552 . 1 1 149 149 SER HB2 H 1 4.06 0.02 . 1 . . . . . . . . 4417 1 1553 . 1 1 149 149 SER HB3 H 1 4.06 0.02 . 1 . . . . . . . . 4417 1 1554 . 1 1 149 149 SER C C 13 177.3 0.2 . 1 . . . . . . . . 4417 1 1555 . 1 1 149 149 SER CA C 13 62.3 0.2 . 1 . . . . . . . . 4417 1 1556 . 1 1 149 149 SER CB C 13 62.3 0.2 . 1 . . . . . . . . 4417 1 1557 . 1 1 149 149 SER N N 15 113.0 0.1 . 1 . . . . . . . . 4417 1 1558 . 1 1 150 150 TYR H H 1 7.81 0.02 . 1 . . . . . . . . 4417 1 1559 . 1 1 150 150 TYR HA H 1 4.39 0.02 . 1 . . . . . . . . 4417 1 1560 . 1 1 150 150 TYR HB2 H 1 3.26 0.02 . 1 . . . . . . . . 4417 1 1561 . 1 1 150 150 TYR HB3 H 1 3.36 0.02 . 1 . . . . . . . . 4417 1 1562 . 1 1 150 150 TYR C C 13 178.4 0.2 . 1 . . . . . . . . 4417 1 1563 . 1 1 150 150 TYR CA C 13 62.3 0.2 . 1 . . . . . . . . 4417 1 1564 . 1 1 150 150 TYR CB C 13 38.8 0.2 . 1 . . . . . . . . 4417 1 1565 . 1 1 150 150 TYR N N 15 123.9 0.1 . 1 . . . . . . . . 4417 1 1566 . 1 1 151 151 LEU H H 1 8.86 0.02 . 1 . . . . . . . . 4417 1 1567 . 1 1 151 151 LEU HA H 1 4.03 0.02 . 1 . . . . . . . . 4417 1 1568 . 1 1 151 151 LEU HB2 H 1 2.03 0.02 . 2 . . . . . . . . 4417 1 1569 . 1 1 151 151 LEU HB3 H 1 1.39 0.02 . 2 . . . . . . . . 4417 1 1570 . 1 1 151 151 LEU HG H 1 2.16 0.02 . 1 . . . . . . . . 4417 1 1571 . 1 1 151 151 LEU HD11 H 1 0.96 0.02 . 2 . . . . . . . . 4417 1 1572 . 1 1 151 151 LEU HD12 H 1 0.96 0.02 . 2 . . . . . . . . 4417 1 1573 . 1 1 151 151 LEU HD13 H 1 0.96 0.02 . 2 . . . . . . . . 4417 1 1574 . 1 1 151 151 LEU HD21 H 1 0.73 0.02 . 2 . . . . . . . . 4417 1 1575 . 1 1 151 151 LEU HD22 H 1 0.73 0.02 . 2 . . . . . . . . 4417 1 1576 . 1 1 151 151 LEU HD23 H 1 0.73 0.02 . 2 . . . . . . . . 4417 1 1577 . 1 1 151 151 LEU C C 13 179.9 0.2 . 1 . . . . . . . . 4417 1 1578 . 1 1 151 151 LEU CA C 13 57.4 0.2 . 1 . . . . . . . . 4417 1 1579 . 1 1 151 151 LEU CB C 13 41.2 0.2 . 1 . . . . . . . . 4417 1 1580 . 1 1 151 151 LEU CG C 13 26.6 0.2 . 1 . . . . . . . . 4417 1 1581 . 1 1 151 151 LEU CD1 C 13 23.2 0.2 . 1 . . . . . . . . 4417 1 1582 . 1 1 151 151 LEU CD2 C 13 28.6 0.2 . 2 . . . . . . . . 4417 1 1583 . 1 1 151 151 LEU N N 15 121.2 0.1 . 1 . . . . . . . . 4417 1 1584 . 1 1 152 152 LEU H H 1 8.31 0.02 . 1 . . . . . . . . 4417 1 1585 . 1 1 152 152 LEU HA H 1 4.13 0.02 . 1 . . . . . . . . 4417 1 1586 . 1 1 152 152 LEU HB2 H 1 1.85 0.02 . 2 . . . . . . . . 4417 1 1587 . 1 1 152 152 LEU HB3 H 1 1.42 0.02 . 2 . . . . . . . . 4417 1 1588 . 1 1 152 152 LEU C C 13 178.5 0.2 . 1 . . . . . . . . 4417 1 1589 . 1 1 152 152 LEU CA C 13 57.1 0.2 . 1 . . . . . . . . 4417 1 1590 . 1 1 152 152 LEU CB C 13 41.9 0.2 . 1 . . . . . . . . 4417 1 1591 . 1 1 152 152 LEU N N 15 120.2 0.1 . 1 . . . . . . . . 4417 1 1592 . 1 1 153 153 ALA H H 1 7.32 0.02 . 1 . . . . . . . . 4417 1 1593 . 1 1 153 153 ALA HA H 1 4.20 0.02 . 1 . . . . . . . . 4417 1 1594 . 1 1 153 153 ALA HB1 H 1 1.23 0.02 . 1 . . . . . . . . 4417 1 1595 . 1 1 153 153 ALA HB2 H 1 1.23 0.02 . 1 . . . . . . . . 4417 1 1596 . 1 1 153 153 ALA HB3 H 1 1.23 0.02 . 1 . . . . . . . . 4417 1 1597 . 1 1 153 153 ALA C C 13 177.0 0.2 . 1 . . . . . . . . 4417 1 1598 . 1 1 153 153 ALA CA C 13 52.8 0.2 . 1 . . . . . . . . 4417 1 1599 . 1 1 153 153 ALA CB C 13 19.1 0.2 . 1 . . . . . . . . 4417 1 1600 . 1 1 153 153 ALA N N 15 120.1 0.1 . 1 . . . . . . . . 4417 1 1601 . 1 1 154 154 HIS H H 1 7.50 0.02 . 1 . . . . . . . . 4417 1 1602 . 1 1 154 154 HIS HA H 1 4.73 0.02 . 1 . . . . . . . . 4417 1 1603 . 1 1 154 154 HIS HB2 H 1 2.92 0.02 . 2 . . . . . . . . 4417 1 1604 . 1 1 154 154 HIS HB3 H 1 2.58 0.02 . 2 . . . . . . . . 4417 1 1605 . 1 1 154 154 HIS HD2 H 1 6.80 0.02 . 1 . . . . . . . . 4417 1 1606 . 1 1 154 154 HIS HE1 H 1 7.58 0.02 . 1 . . . . . . . . 4417 1 1607 . 1 1 154 154 HIS C C 13 175.2 0.2 . 1 . . . . . . . . 4417 1 1608 . 1 1 154 154 HIS CA C 13 54.1 0.2 . 1 . . . . . . . . 4417 1 1609 . 1 1 154 154 HIS CB C 13 27.5 0.2 . 1 . . . . . . . . 4417 1 1610 . 1 1 154 154 HIS N N 15 118.9 0.1 . 1 . . . . . . . . 4417 1 1611 . 1 1 155 155 SER H H 1 8.46 0.02 . 1 . . . . . . . . 4417 1 1612 . 1 1 155 155 SER HA H 1 4.19 0.02 . 1 . . . . . . . . 4417 1 1613 . 1 1 155 155 SER HB2 H 1 3.95 0.02 . 2 . . . . . . . . 4417 1 1614 . 1 1 155 155 SER HB3 H 1 3.89 0.02 . 2 . . . . . . . . 4417 1 1615 . 1 1 155 155 SER C C 13 174.0 0.2 . 1 . . . . . . . . 4417 1 1616 . 1 1 155 155 SER CA C 13 61.6 0.2 . 1 . . . . . . . . 4417 1 1617 . 1 1 155 155 SER CB C 13 63.1 0.2 . 1 . . . . . . . . 4417 1 1618 . 1 1 155 155 SER N N 15 118.5 0.1 . 1 . . . . . . . . 4417 1 1619 . 1 1 156 156 ASP H H 1 8.74 0.02 . 1 . . . . . . . . 4417 1 1620 . 1 1 156 156 ASP HA H 1 4.58 0.02 . 1 . . . . . . . . 4417 1 1621 . 1 1 156 156 ASP HB2 H 1 2.65 0.02 . 1 . . . . . . . . 4417 1 1622 . 1 1 156 156 ASP HB3 H 1 2.65 0.02 . 1 . . . . . . . . 4417 1 1623 . 1 1 156 156 ASP C C 13 176.2 0.2 . 1 . . . . . . . . 4417 1 1624 . 1 1 156 156 ASP CA C 13 53.8 0.2 . 1 . . . . . . . . 4417 1 1625 . 1 1 156 156 ASP CB C 13 40.4 0.2 . 1 . . . . . . . . 4417 1 1626 . 1 1 156 156 ASP N N 15 118.0 0.1 . 1 . . . . . . . . 4417 1 1627 . 1 1 157 157 ALA H H 1 7.51 0.02 . 1 . . . . . . . . 4417 1 1628 . 1 1 157 157 ALA HA H 1 4.20 0.02 . 1 . . . . . . . . 4417 1 1629 . 1 1 157 157 ALA HB1 H 1 1.44 0.02 . 1 . . . . . . . . 4417 1 1630 . 1 1 157 157 ALA HB2 H 1 1.44 0.02 . 1 . . . . . . . . 4417 1 1631 . 1 1 157 157 ALA HB3 H 1 1.44 0.02 . 1 . . . . . . . . 4417 1 1632 . 1 1 157 157 ALA C C 13 177.8 0.2 . 1 . . . . . . . . 4417 1 1633 . 1 1 157 157 ALA CA C 13 52.6 0.2 . 1 . . . . . . . . 4417 1 1634 . 1 1 157 157 ALA CB C 13 19.9 0.2 . 1 . . . . . . . . 4417 1 1635 . 1 1 157 157 ALA N N 15 124.7 0.1 . 1 . . . . . . . . 4417 1 1636 . 1 1 158 158 TYR H H 1 8.73 0.02 . 1 . . . . . . . . 4417 1 1637 . 1 1 158 158 TYR HA H 1 3.99 0.02 . 1 . . . . . . . . 4417 1 1638 . 1 1 158 158 TYR HB2 H 1 3.22 0.02 . 2 . . . . . . . . 4417 1 1639 . 1 1 158 158 TYR HB3 H 1 3.04 0.02 . 2 . . . . . . . . 4417 1 1640 . 1 1 158 158 TYR C C 13 173.3 0.2 . 1 . . . . . . . . 4417 1 1641 . 1 1 158 158 TYR CA C 13 60.2 0.2 . 1 . . . . . . . . 4417 1 1642 . 1 1 158 158 TYR CB C 13 34.9 0.2 . 1 . . . . . . . . 4417 1 1643 . 1 1 158 158 TYR N N 15 118.6 0.1 . 1 . . . . . . . . 4417 1 1644 . 1 1 159 159 ASN H H 1 7.66 0.02 . 1 . . . . . . . . 4417 1 1645 . 1 1 159 159 ASN HA H 1 4.65 0.02 . 1 . . . . . . . . 4417 1 1646 . 1 1 159 159 ASN HB2 H 1 2.80 0.02 . 2 . . . . . . . . 4417 1 1647 . 1 1 159 159 ASN HB3 H 1 2.50 0.02 . 2 . . . . . . . . 4417 1 1648 . 1 1 159 159 ASN CA C 13 54.4 0.2 . 1 . . . . . . . . 4417 1 1649 . 1 1 159 159 ASN CB C 13 40.5 0.2 . 1 . . . . . . . . 4417 1 stop_ save_