data_5516 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5516 _Entry.Title ; Assignment of the 1H, 13C and 15N resonances of the Coxsackievirus and Adenovirus receptor domain 1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2002-09-10 _Entry.Accession_date 2002-09-10 _Entry.Last_release_date 2002-09-10 _Entry.Original_release_date 2002-09-10 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _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.ORCID _Entry_author.Entry_ID 1 Shaokai Jiang . . . . 5516 2 Michael Caffrey . . . . 5516 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 5516 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 560 5516 '15N chemical shifts' 128 5516 '1H chemical shifts' 903 5516 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 2 . . 2002-12-23 . original author 'original release' 5516 1 . . 2004-02-20 . update author 'addition of cloning artifacts (GS)' 5516 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5516 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 22410155 _Citation.DOI . _Citation.PubMed_ID 12522304 _Citation.Full_citation . _Citation.Title ; Letter to the Editor: Assignment of the 1H, 13C and 15N Resonances of the Coxsackievirus and Adenovirus Receptor Domain 1 ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 24 _Citation.Journal_issue 4 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 365 _Citation.Page_last 366 _Citation.Year 2002 _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.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Shaokai Jiang . . . . 5516 1 2 Michael Caffrey . . . . 5516 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID Adenovirus 5516 1 CAR 5516 1 Coxsackievirus 5516 1 'NMR assignments' 5516 1 stop_ save_ save_Bergelson_1997 _Citation.Sf_category citations _Citation.Sf_framecode Bergelson_1997 _Citation.Entry_ID 5516 _Citation.ID 2 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 9036860 _Citation.Full_citation ; Bergelson JM, Cunningham JA, Droguett G, Kurt-Jones EA, Krithivas A, Hong JS, Horwitz MS, Crowell RL, Finberg RW. Isolation of a common receptor for Coxsackie B viruses and adenoviruses 2 and 5. Science. 1997 Feb 28;275(5304):1320-3. ; _Citation.Title ; Isolation of a common receptor for Coxsackie B viruses and adenoviruses 2 and 5. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Science _Citation.Journal_name_full 'Science (New York, N.Y.)' _Citation.Journal_volume 275 _Citation.Journal_issue 5304 _Citation.Journal_ASTM . _Citation.Journal_ISSN 0036-8075 _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 1320 _Citation.Page_last 1323 _Citation.Year 1997 _Citation.Details ; A complementary DNA clone has been isolated that encodes a coxsackievirus and adenovirus receptor (CAR). When transfected with CAR complementary DNA, nonpermissive hamster cells became susceptible to coxsackie B virus attachment and infection. Furthermore, consistent with previous studies demonstrating that adenovirus infection depends on attachment of a viral fiber to the target cell, CAR-transfected hamster cells bound adenovirus in a fiber-dependent fashion and showed a 100-fold increase in susceptibility to virus-mediated gene transfer. Identification of CAR as a receptor for these two unrelated and structurally distinct viral pathogens is important for understanding viral pathogenesis and has implications for therapeutic gene delivery with adenovirus vectors. ; 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.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 'J M' Bergelson J. M. . . 5516 2 2 'J A' Cunningham J. A. . . 5516 2 3 G Droguett G. . . . 5516 2 4 'E A' Kurt-Jones E. A. . . 5516 2 5 A Krithivas A. . . . 5516 2 6 'J S' Hong J. S. . . 5516 2 7 'M S' Horwitz M. S. . . 5516 2 8 'R L' Crowell R. L. . . 5516 2 9 'R W' Finberg R. W. . . 5516 2 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_CAR _Assembly.Sf_category assembly _Assembly.Sf_framecode system_CAR _Assembly.Entry_ID 5516 _Assembly.ID 1 _Assembly.Name 'Coxsackievirus and Adenovirus receptor' _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 'all disulfide bound' _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 5516 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 'CAR-d1 monomer' 1 $CAR . . . native . . . . . 5516 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_asym_ID_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_asym_ID_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 . 1 CYS 23 23 SG . 1 . 1 CYS 102 102 SG . . . . . . . . . . . . 5516 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 1F5W . . . . . ; 1. Construct of residues 21-144 2. Monomer ; 5516 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID CAR abbreviation 5516 1 'Coxsackievirus and Adenovirus receptor' system 5516 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_CAR _Entity.Sf_category entity _Entity.Sf_framecode CAR _Entity.Entry_ID 5516 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Coxsackievirus and Adenovirus' _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 ; GSSITTPEEMIEKAKGETAY LPCKFTLSPEDQGPLDIEWL ISPADNQKVDQVIILYSGDK IYDDYYPDLKGRVHFTSNDL KSGDASINVTNLQLSDIGTY QCKVKKAPGVANKKIHLVVL VKPSGA ; _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 126 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 13741 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details 'The two reisdues(GS) at the N-terminal are cloning artifacts.' _Entity.DB_query_date 2008-08-19 _Entity.DB_query_revised_last_date 2008-08-19 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 . . PDB 1EAJ . 'Dimeric Structure Of The Coxsackie Virus And Adenovirus Receptor D1 Domain At 1.35 Angstrom Resolution' . . . . . 95.24 126 100.00 100.00 4.87e-64 . . . . 5516 1 . . PDB 1F5W . 'Dimeric Structure Of The Coxsackie Virus And Adenovirus Receptor D1 Domain' . . . . . 95.24 126 100.00 100.00 4.87e-64 . . . . 5516 1 . . PDB 1JEW . 'Cryo-Em Structure Of Coxsackievirus B3(M Strain) With Its Cellular Receptor, Coxsackievirus And Adenovirus Receptor (Car)' . . . . . 95.24 120 100.00 100.00 6.86e-64 . . . . 5516 1 . . PDB 1KAC . 'Knob Domain From Adenovirus Serotype 12 In Complex With Domain 1 Of Its Cellular Receptor Car' . . . . . 97.62 124 100.00 100.00 9.11e-66 . . . . 5516 1 . . PDB 1P69 . 'Structural Basis For Variation In Adenovirus Affinity For The Cellular Receptor Car (P417s Mutant)' . . . . . 97.62 124 100.00 100.00 9.11e-66 . . . . 5516 1 . . PDB 1P6A . 'Structural Basis For Variation In Asdenovirus Affinity For The Cellular Receptor Car (S489y Mutant)' . . . . . 97.62 124 100.00 100.00 9.11e-66 . . . . 5516 1 . . PDB 1RSF . 'Nmr Structure Of Monomeric Car D1 Domain' . . . . . 100.00 126 100.00 100.00 1.83e-67 . . . . 5516 1 . . PDB 2J12 . 'Ad37 Fibre Head In Complex With Car D1' . . . . . 95.24 128 100.00 100.00 3.73e-64 . . . . 5516 1 . . PDB 2J1K . 'Cav-2 Fibre Head In Complex With Car D1' . . . . . 95.24 128 100.00 100.00 3.73e-64 . . . . 5516 1 . . DBJ BAG36305 . 'unnamed protein product [Homo sapiens]' . . . . . 98.41 365 100.00 100.00 4.87e-67 . . . . 5516 1 . . EMBL CAA68868 . 'coxsackie and adenovirus receptor protein [Homo sapiens]' . . . . . 98.41 365 100.00 100.00 4.87e-67 . . . . 5516 1 . . EMBL CAH92396 . 'hypothetical protein [Pongo abelii]' . . . . . 98.41 365 100.00 100.00 4.87e-67 . . . . 5516 1 . . GenBank AAC51234 . 'cell surface protein HCAR [Homo sapiens]' . . . . . 98.41 365 100.00 100.00 4.87e-67 . . . . 5516 1 . . GenBank AAD31772 . 'coxsackie and adenovirus receptor protein [Homo sapiens]' . . . . . 98.41 344 100.00 100.00 5.85e-67 . . . . 5516 1 . . GenBank AAF05908 . 'coxsackievirus B-adenovirus receptor [Homo sapiens]' . . . . . 98.41 365 100.00 100.00 4.87e-67 . . . . 5516 1 . . GenBank AAF24344 . 'coxsackievirus and adenovirus receptor [Homo sapiens]' . . . . . 98.41 365 100.00 100.00 4.87e-67 . . . . 5516 1 . . GenBank AAG01088 . 'coxsackie virus and adenovirus receptor [Homo sapiens]' . . . . . 98.41 365 100.00 100.00 4.87e-67 . . . . 5516 1 . . REF NP_001329 . 'coxsackie virus and adenovirus receptor precursor [Homo sapiens]' . . . . . 98.41 365 100.00 100.00 4.87e-67 . . . . 5516 1 . . REF XP_001155969 . 'PREDICTED: similar to coxsackie and adenovirus receptor protein isoform 1 [Pan troglodytes]' . . . . . 92.86 338 100.00 100.00 5.00e-63 . . . . 5516 1 . . REF XP_001156087 . 'PREDICTED: similar to coxsackie and adenovirus receptor protein isoform 2 [Pan troglodytes]' . . . . . 98.41 365 100.00 100.00 4.87e-67 . . . . 5516 1 . . REF XP_531394 . 'PREDICTED: similar to coxsackie and adenovirus receptor protein isoform 3 [Pan troglodytes]' . . . . . 98.41 352 100.00 100.00 7.33e-67 . . . . 5516 1 . . SWISS-PROT P78310 . 'Coxsackievirus and adenovirus receptor precursor (Coxsackievirus B-adenovirus receptor) (HCVADR) (hCAR) (CVB3-binding protein)' . . . . . 98.41 365 100.00 100.00 4.87e-67 . . . . 5516 1 . . SWISS-PROT Q5R764 . 'Coxsackievirus and adenovirus receptor homolog precursor' . . . . . 98.41 365 100.00 100.00 4.87e-67 . . . . 5516 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID CAR abbreviation 5516 1 'Coxsackievirus and Adenovirus' common 5516 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 19 GLY . 5516 1 2 20 SER . 5516 1 3 21 SER . 5516 1 4 22 ILE . 5516 1 5 23 THR . 5516 1 6 24 THR . 5516 1 7 25 PRO . 5516 1 8 26 GLU . 5516 1 9 27 GLU . 5516 1 10 28 MET . 5516 1 11 29 ILE . 5516 1 12 30 GLU . 5516 1 13 31 LYS . 5516 1 14 32 ALA . 5516 1 15 33 LYS . 5516 1 16 34 GLY . 5516 1 17 35 GLU . 5516 1 18 36 THR . 5516 1 19 37 ALA . 5516 1 20 38 TYR . 5516 1 21 39 LEU . 5516 1 22 40 PRO . 5516 1 23 41 CYS . 5516 1 24 42 LYS . 5516 1 25 43 PHE . 5516 1 26 44 THR . 5516 1 27 45 LEU . 5516 1 28 46 SER . 5516 1 29 47 PRO . 5516 1 30 48 GLU . 5516 1 31 49 ASP . 5516 1 32 50 GLN . 5516 1 33 51 GLY . 5516 1 34 52 PRO . 5516 1 35 53 LEU . 5516 1 36 54 ASP . 5516 1 37 55 ILE . 5516 1 38 56 GLU . 5516 1 39 57 TRP . 5516 1 40 58 LEU . 5516 1 41 59 ILE . 5516 1 42 60 SER . 5516 1 43 61 PRO . 5516 1 44 62 ALA . 5516 1 45 63 ASP . 5516 1 46 64 ASN . 5516 1 47 65 GLN . 5516 1 48 66 LYS . 5516 1 49 67 VAL . 5516 1 50 68 ASP . 5516 1 51 69 GLN . 5516 1 52 70 VAL . 5516 1 53 71 ILE . 5516 1 54 72 ILE . 5516 1 55 73 LEU . 5516 1 56 74 TYR . 5516 1 57 75 SER . 5516 1 58 76 GLY . 5516 1 59 77 ASP . 5516 1 60 78 LYS . 5516 1 61 79 ILE . 5516 1 62 80 TYR . 5516 1 63 81 ASP . 5516 1 64 82 ASP . 5516 1 65 83 TYR . 5516 1 66 84 TYR . 5516 1 67 85 PRO . 5516 1 68 86 ASP . 5516 1 69 87 LEU . 5516 1 70 88 LYS . 5516 1 71 89 GLY . 5516 1 72 90 ARG . 5516 1 73 91 VAL . 5516 1 74 92 HIS . 5516 1 75 93 PHE . 5516 1 76 94 THR . 5516 1 77 95 SER . 5516 1 78 96 ASN . 5516 1 79 97 ASP . 5516 1 80 98 LEU . 5516 1 81 99 LYS . 5516 1 82 100 SER . 5516 1 83 101 GLY . 5516 1 84 102 ASP . 5516 1 85 103 ALA . 5516 1 86 104 SER . 5516 1 87 105 ILE . 5516 1 88 106 ASN . 5516 1 89 107 VAL . 5516 1 90 108 THR . 5516 1 91 109 ASN . 5516 1 92 110 LEU . 5516 1 93 111 GLN . 5516 1 94 112 LEU . 5516 1 95 113 SER . 5516 1 96 114 ASP . 5516 1 97 115 ILE . 5516 1 98 116 GLY . 5516 1 99 117 THR . 5516 1 100 118 TYR . 5516 1 101 119 GLN . 5516 1 102 120 CYS . 5516 1 103 121 LYS . 5516 1 104 122 VAL . 5516 1 105 123 LYS . 5516 1 106 124 LYS . 5516 1 107 125 ALA . 5516 1 108 126 PRO . 5516 1 109 127 GLY . 5516 1 110 128 VAL . 5516 1 111 129 ALA . 5516 1 112 130 ASN . 5516 1 113 131 LYS . 5516 1 114 132 LYS . 5516 1 115 133 ILE . 5516 1 116 134 HIS . 5516 1 117 135 LEU . 5516 1 118 136 VAL . 5516 1 119 137 VAL . 5516 1 120 138 LEU . 5516 1 121 139 VAL . 5516 1 122 140 LYS . 5516 1 123 141 PRO . 5516 1 124 142 SER . 5516 1 125 143 GLY . 5516 1 126 144 ALA . 5516 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 5516 1 . SER 2 2 5516 1 . SER 3 3 5516 1 . ILE 4 4 5516 1 . THR 5 5 5516 1 . THR 6 6 5516 1 . PRO 7 7 5516 1 . GLU 8 8 5516 1 . GLU 9 9 5516 1 . MET 10 10 5516 1 . ILE 11 11 5516 1 . GLU 12 12 5516 1 . LYS 13 13 5516 1 . ALA 14 14 5516 1 . LYS 15 15 5516 1 . GLY 16 16 5516 1 . GLU 17 17 5516 1 . THR 18 18 5516 1 . ALA 19 19 5516 1 . TYR 20 20 5516 1 . LEU 21 21 5516 1 . PRO 22 22 5516 1 . CYS 23 23 5516 1 . LYS 24 24 5516 1 . PHE 25 25 5516 1 . THR 26 26 5516 1 . LEU 27 27 5516 1 . SER 28 28 5516 1 . PRO 29 29 5516 1 . GLU 30 30 5516 1 . ASP 31 31 5516 1 . GLN 32 32 5516 1 . GLY 33 33 5516 1 . PRO 34 34 5516 1 . LEU 35 35 5516 1 . ASP 36 36 5516 1 . ILE 37 37 5516 1 . GLU 38 38 5516 1 . TRP 39 39 5516 1 . LEU 40 40 5516 1 . ILE 41 41 5516 1 . SER 42 42 5516 1 . PRO 43 43 5516 1 . ALA 44 44 5516 1 . ASP 45 45 5516 1 . ASN 46 46 5516 1 . GLN 47 47 5516 1 . LYS 48 48 5516 1 . VAL 49 49 5516 1 . ASP 50 50 5516 1 . GLN 51 51 5516 1 . VAL 52 52 5516 1 . ILE 53 53 5516 1 . ILE 54 54 5516 1 . LEU 55 55 5516 1 . TYR 56 56 5516 1 . SER 57 57 5516 1 . GLY 58 58 5516 1 . ASP 59 59 5516 1 . LYS 60 60 5516 1 . ILE 61 61 5516 1 . TYR 62 62 5516 1 . ASP 63 63 5516 1 . ASP 64 64 5516 1 . TYR 65 65 5516 1 . TYR 66 66 5516 1 . PRO 67 67 5516 1 . ASP 68 68 5516 1 . LEU 69 69 5516 1 . LYS 70 70 5516 1 . GLY 71 71 5516 1 . ARG 72 72 5516 1 . VAL 73 73 5516 1 . HIS 74 74 5516 1 . PHE 75 75 5516 1 . THR 76 76 5516 1 . SER 77 77 5516 1 . ASN 78 78 5516 1 . ASP 79 79 5516 1 . LEU 80 80 5516 1 . LYS 81 81 5516 1 . SER 82 82 5516 1 . GLY 83 83 5516 1 . ASP 84 84 5516 1 . ALA 85 85 5516 1 . SER 86 86 5516 1 . ILE 87 87 5516 1 . ASN 88 88 5516 1 . VAL 89 89 5516 1 . THR 90 90 5516 1 . ASN 91 91 5516 1 . LEU 92 92 5516 1 . GLN 93 93 5516 1 . LEU 94 94 5516 1 . SER 95 95 5516 1 . ASP 96 96 5516 1 . ILE 97 97 5516 1 . GLY 98 98 5516 1 . THR 99 99 5516 1 . TYR 100 100 5516 1 . GLN 101 101 5516 1 . CYS 102 102 5516 1 . LYS 103 103 5516 1 . VAL 104 104 5516 1 . LYS 105 105 5516 1 . LYS 106 106 5516 1 . ALA 107 107 5516 1 . PRO 108 108 5516 1 . GLY 109 109 5516 1 . VAL 110 110 5516 1 . ALA 111 111 5516 1 . ASN 112 112 5516 1 . LYS 113 113 5516 1 . LYS 114 114 5516 1 . ILE 115 115 5516 1 . HIS 116 116 5516 1 . LEU 117 117 5516 1 . VAL 118 118 5516 1 . VAL 119 119 5516 1 . LEU 120 120 5516 1 . VAL 121 121 5516 1 . LYS 122 122 5516 1 . PRO 123 123 5516 1 . SER 124 124 5516 1 . GLY 125 125 5516 1 . ALA 126 126 5516 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 5516 _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.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.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $CAR . 9606 . . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 5516 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 5516 _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_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.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $CAR . 'recombinant technology' . . . . . . . . . . . . . . . . 5516 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_15N-labled_sample _Sample.Sf_category sample _Sample.Sf_framecode 15N-labled_sample _Sample.Entry_ID 5516 _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 'Coxsackievirus and Adenovirus' '[U-95% 15N]' . . 1 $CAR . . . 0.8 1.2 mM . . . . 5516 1 2 formate [U-2H] . . . . . . 50 . . mM . . . . 5516 1 stop_ save_ save_13C_N15-labeled _Sample.Sf_category sample _Sample.Sf_framecode 13C_N15-labeled _Sample.Entry_ID 5516 _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 'Coxsackievirus and Adenovirus' '[U-90% 13C; U-90% N15]' . . 1 $CAR . . . 0.9 1.2 mM . . . . 5516 2 2 formate [U-2H] . . . . . . 50 . . mM . . . . 5516 2 stop_ save_ ####################### # Sample conditions # ####################### save_exp_condition_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode exp_condition_1 _Sample_condition_list.Entry_ID 5516 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 3.0 0.02 n/a 5516 1 temperature 295 0.1 K 5516 1 stop_ save_ ############################ # Computer software used # ############################ save_nmrPipe _Software.Sf_category software _Software.Sf_framecode nmrPipe _Software.Entry_ID 5516 _Software.ID 1 _Software.Type . _Software.Name nmrPipe _Software.Version . _Software.DOI . _Software.Details . 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 5516 _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 5516 _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 . . . 5516 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 5516 _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 HNCA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5516 1 2 HN(CO)CA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5516 1 3 HNCACB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5516 1 4 CBCA(CO)NH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5516 1 5 HNCO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5516 1 6 H(C)CH-TOCSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5516 1 7 (H)CCH-TOCSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5516 1 8 CC(CO)NH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5516 1 9 '1H-1H TOCSY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5516 1 10 '1H-1H NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5516 1 11 '1H-15N NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5516 1 12 '1H-15N TOCSY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5516 1 13 '1H-13C NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5516 1 stop_ 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 5516 _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.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . 5516 1 H 1 H2O protons . . . . ppm 4.802 internal direct 1.0 internal spherical . . . 5516 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . 5516 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_chemical_shift _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift _Assigned_chem_shift_list.Entry_ID 5516 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $exp_condition_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 HNCA . . . 5516 1 2 HN(CO)CA . . . 5516 1 3 HNCACB . . . 5516 1 4 CBCA(CO)NH . . . 5516 1 5 HNCO . . . 5516 1 6 H(C)CH-TOCSY . . . 5516 1 7 (H)CCH-TOCSY . . . 5516 1 8 CC(CO)NH . . . 5516 1 9 '1H-1H TOCSY' . . . 5516 1 10 '1H-1H NOESY' . . . 5516 1 11 '1H-15N NOESY' . . . 5516 1 12 '1H-15N TOCSY' . . . 5516 1 13 '1H-13C NOESY' . . . 5516 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.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 GLY HA2 H 1 3.90 0.02 . 1 . . . . . 19 . . . 5516 1 2 . 1 1 1 1 GLY HA3 H 1 3.90 0.02 . 1 . . . . . 19 . . . 5516 1 3 . 1 1 1 1 GLY CA C 13 43.4 0.20 . 1 . . . . . 19 . . . 5516 1 4 . 1 1 1 1 GLY C C 13 170.2 0.20 . 1 . . . . . 19 . . . 5516 1 5 . 1 1 2 2 SER H H 1 8.68 0.02 . 1 . . . . . 20 . . . 5516 1 6 . 1 1 2 2 SER HA H 1 4.55 0.02 . 1 . . . . . 20 . . . 5516 1 7 . 1 1 2 2 SER HB2 H 1 3.87 0.02 . 1 . . . . . 20 . . . 5516 1 8 . 1 1 2 2 SER HB3 H 1 3.87 0.02 . 1 . . . . . 20 . . . 5516 1 9 . 1 1 2 2 SER C C 13 174.4 0.20 . 1 . . . . . 20 . . . 5516 1 10 . 1 1 2 2 SER CA C 13 58.0 0.20 . 1 . . . . . 20 . . . 5516 1 11 . 1 1 2 2 SER CB C 13 64.0 0.20 . 1 . . . . . 20 . . . 5516 1 12 . 1 1 2 2 SER N N 15 115.7 0.05 . 1 . . . . . 20 . . . 5516 1 13 . 1 1 3 3 SER H H 1 8.52 0.02 . 1 . . . . . 21 . . . 5516 1 14 . 1 1 3 3 SER HA H 1 4.55 0.02 . 1 . . . . . 21 . . . 5516 1 15 . 1 1 3 3 SER HB2 H 1 3.87 0.02 . 1 . . . . . 21 . . . 5516 1 16 . 1 1 3 3 SER HB3 H 1 3.87 0.02 . 1 . . . . . 21 . . . 5516 1 17 . 1 1 3 3 SER C C 13 174.3 0.20 . 1 . . . . . 21 . . . 5516 1 18 . 1 1 3 3 SER CA C 13 58.0 0.20 . 1 . . . . . 21 . . . 5516 1 19 . 1 1 3 3 SER CB C 13 64.0 0.20 . 1 . . . . . 21 . . . 5516 1 20 . 1 1 3 3 SER N N 15 118.4 0.05 . 1 . . . . . 21 . . . 5516 1 21 . 1 1 4 4 ILE H H 1 8.30 0.02 . 1 . . . . . 22 . . . 5516 1 22 . 1 1 4 4 ILE HA H 1 4.30 0.02 . 1 . . . . . 22 . . . 5516 1 23 . 1 1 4 4 ILE HB H 1 1.87 0.02 . 1 . . . . . 22 . . . 5516 1 24 . 1 1 4 4 ILE HG12 H 1 1.18 0.02 . 2 . . . . . 22 . . . 5516 1 25 . 1 1 4 4 ILE HG13 H 1 1.46 0.02 . 2 . . . . . 22 . . . 5516 1 26 . 1 1 4 4 ILE HG21 H 1 0.92 0.02 . 1 . . . . . 22 . . . 5516 1 27 . 1 1 4 4 ILE HG22 H 1 0.92 0.02 . 1 . . . . . 22 . . . 5516 1 28 . 1 1 4 4 ILE HG23 H 1 0.92 0.02 . 1 . . . . . 22 . . . 5516 1 29 . 1 1 4 4 ILE HD11 H 1 0.85 0.02 . 1 . . . . . 22 . . . 5516 1 30 . 1 1 4 4 ILE HD12 H 1 0.85 0.02 . 1 . . . . . 22 . . . 5516 1 31 . 1 1 4 4 ILE HD13 H 1 0.85 0.02 . 1 . . . . . 22 . . . 5516 1 32 . 1 1 4 4 ILE C C 13 174.2 0.20 . 1 . . . . . 22 . . . 5516 1 33 . 1 1 4 4 ILE CA C 13 61.0 0.20 . 1 . . . . . 22 . . . 5516 1 34 . 1 1 4 4 ILE CB C 13 39.0 0.20 . 1 . . . . . 22 . . . 5516 1 35 . 1 1 4 4 ILE CG1 C 13 27.2 0.20 . 1 . . . . . 22 . . . 5516 1 36 . 1 1 4 4 ILE CG2 C 13 17.5 0.20 . 1 . . . . . 22 . . . 5516 1 37 . 1 1 4 4 ILE CD1 C 13 13.0 0.20 . 1 . . . . . 22 . . . 5516 1 38 . 1 1 4 4 ILE N N 15 122.87 0.05 . 1 . . . . . 22 . . . 5516 1 39 . 1 1 5 5 THR H H 1 8.33 0.02 . 1 . . . . . 23 . . . 5516 1 40 . 1 1 5 5 THR HA H 1 4.45 0.02 . 1 . . . . . 23 . . . 5516 1 41 . 1 1 5 5 THR HB H 1 4.16 0.02 . 1 . . . . . 23 . . . 5516 1 42 . 1 1 5 5 THR HG21 H 1 1.18 0.02 . 1 . . . . . 23 . . . 5516 1 43 . 1 1 5 5 THR HG22 H 1 1.18 0.02 . 1 . . . . . 23 . . . 5516 1 44 . 1 1 5 5 THR HG23 H 1 1.18 0.02 . 1 . . . . . 23 . . . 5516 1 45 . 1 1 5 5 THR C C 13 174.3 0.20 . 1 . . . . . 23 . . . 5516 1 46 . 1 1 5 5 THR CA C 13 61.5 0.20 . 1 . . . . . 23 . . . 5516 1 47 . 1 1 5 5 THR CB C 13 69.7 0.20 . 1 . . . . . 23 . . . 5516 1 48 . 1 1 5 5 THR CG2 C 13 21.7 0.20 . 1 . . . . . 23 . . . 5516 1 49 . 1 1 5 5 THR N N 15 119.43 0.05 . 1 . . . . . 23 . . . 5516 1 50 . 1 1 6 6 THR H H 1 8.32 0.02 . 1 . . . . . 24 . . . 5516 1 51 . 1 1 6 6 THR HA H 1 4.63 0.02 . 1 . . . . . 24 . . . 5516 1 52 . 1 1 6 6 THR HB H 1 4.16 0.02 . 1 . . . . . 24 . . . 5516 1 53 . 1 1 6 6 THR HG21 H 1 1.27 0.02 . 1 . . . . . 24 . . . 5516 1 54 . 1 1 6 6 THR HG22 H 1 1.27 0.02 . 1 . . . . . 24 . . . 5516 1 55 . 1 1 6 6 THR HG23 H 1 1.27 0.02 . 1 . . . . . 24 . . . 5516 1 56 . 1 1 6 6 THR CA C 13 59.9 0.20 . 1 . . . . . 24 . . . 5516 1 57 . 1 1 6 6 THR CB C 13 69.7 0.20 . 1 . . . . . 24 . . . 5516 1 58 . 1 1 6 6 THR CG2 C 13 21.5 0.20 . 1 . . . . . 24 . . . 5516 1 59 . 1 1 6 6 THR N N 15 120.18 0.05 . 1 . . . . . 24 . . . 5516 1 60 . 1 1 7 7 PRO HA H 1 4.44 0.02 . 1 . . . . . 25 . . . 5516 1 61 . 1 1 7 7 PRO HB2 H 1 2.32 0.02 . 2 . . . . . 25 . . . 5516 1 62 . 1 1 7 7 PRO HB3 H 1 1.95 0.02 . 2 . . . . . 25 . . . 5516 1 63 . 1 1 7 7 PRO HG2 H 1 2.06 0.02 . 2 . . . . . 25 . . . 5516 1 64 . 1 1 7 7 PRO HG3 H 1 1.78 0.02 . 2 . . . . . 25 . . . 5516 1 65 . 1 1 7 7 PRO HD2 H 1 3.82 0.02 . 1 . . . . . 25 . . . 5516 1 66 . 1 1 7 7 PRO HD3 H 1 3.82 0.02 . 1 . . . . . 25 . . . 5516 1 67 . 1 1 7 7 PRO C C 13 176.4 0.20 . 1 . . . . . 25 . . . 5516 1 68 . 1 1 7 7 PRO CA C 13 63.5 0.20 . 1 . . . . . 25 . . . 5516 1 69 . 1 1 7 7 PRO CB C 13 32.5 0.20 . 1 . . . . . 25 . . . 5516 1 70 . 1 1 7 7 PRO CG C 13 27.3 0.20 . 1 . . . . . 25 . . . 5516 1 71 . 1 1 7 7 PRO CD C 13 50.8 0.20 . 1 . . . . . 25 . . . 5516 1 72 . 1 1 8 8 GLU H H 1 8.43 0.02 . 1 . . . . . 26 . . . 5516 1 73 . 1 1 8 8 GLU HA H 1 4.68 0.02 . 1 . . . . . 26 . . . 5516 1 74 . 1 1 8 8 GLU HB2 H 1 1.97 0.02 . 1 . . . . . 26 . . . 5516 1 75 . 1 1 8 8 GLU HB3 H 1 1.97 0.02 . 1 . . . . . 26 . . . 5516 1 76 . 1 1 8 8 GLU HG2 H 1 2.32 0.02 . 1 . . . . . 26 . . . 5516 1 77 . 1 1 8 8 GLU HG3 H 1 2.32 0.02 . 1 . . . . . 26 . . . 5516 1 78 . 1 1 8 8 GLU C C 13 176.6 0.20 . 1 . . . . . 26 . . . 5516 1 79 . 1 1 8 8 GLU CA C 13 55.3 0.20 . 1 . . . . . 26 . . . 5516 1 80 . 1 1 8 8 GLU CB C 13 30.5 0.20 . 1 . . . . . 26 . . . 5516 1 81 . 1 1 8 8 GLU CG C 13 34.5 0.20 . 1 . . . . . 26 . . . 5516 1 82 . 1 1 8 8 GLU N N 15 121.4 0.05 . 1 . . . . . 26 . . . 5516 1 83 . 1 1 9 9 GLU H H 1 8.49 0.02 . 1 . . . . . 27 . . . 5516 1 84 . 1 1 9 9 GLU HA H 1 4.50 0.02 . 1 . . . . . 27 . . . 5516 1 85 . 1 1 9 9 GLU HB2 H 1 2.16 0.02 . 1 . . . . . 27 . . . 5516 1 86 . 1 1 9 9 GLU HB3 H 1 2.16 0.02 . 1 . . . . . 27 . . . 5516 1 87 . 1 1 9 9 GLU HG2 H 1 2.47 0.02 . 2 . . . . . 27 . . . 5516 1 88 . 1 1 9 9 GLU HG3 H 1 2.36 0.02 . 2 . . . . . 27 . . . 5516 1 89 . 1 1 9 9 GLU C C 13 174.3 0.20 . 1 . . . . . 27 . . . 5516 1 90 . 1 1 9 9 GLU CA C 13 56.0 0.20 . 1 . . . . . 27 . . . 5516 1 91 . 1 1 9 9 GLU CB C 13 31.0 0.20 . 1 . . . . . 27 . . . 5516 1 92 . 1 1 9 9 GLU CG C 13 34.6 0.20 . 1 . . . . . 27 . . . 5516 1 93 . 1 1 9 9 GLU N N 15 124.4 0.05 . 1 . . . . . 27 . . . 5516 1 94 . 1 1 10 10 MET H H 1 8.78 0.02 . 1 . . . . . 28 . . . 5516 1 95 . 1 1 10 10 MET HA H 1 5.40 0.02 . 1 . . . . . 28 . . . 5516 1 96 . 1 1 10 10 MET HB2 H 1 2.10 0.02 . 1 . . . . . 28 . . . 5516 1 97 . 1 1 10 10 MET HB3 H 1 2.10 0.02 . 1 . . . . . 28 . . . 5516 1 98 . 1 1 10 10 MET HG2 H 1 2.55 0.02 . 2 . . . . . 28 . . . 5516 1 99 . 1 1 10 10 MET HG3 H 1 2.48 0.02 . 2 . . . . . 28 . . . 5516 1 100 . 1 1 10 10 MET HE1 H 1 1.94 0.02 . 1 . . . . . 28 . . . 5516 1 101 . 1 1 10 10 MET HE2 H 1 1.94 0.02 . 1 . . . . . 28 . . . 5516 1 102 . 1 1 10 10 MET HE3 H 1 1.94 0.02 . 1 . . . . . 28 . . . 5516 1 103 . 1 1 10 10 MET C C 13 175.2 0.20 . 1 . . . . . 28 . . . 5516 1 104 . 1 1 10 10 MET CA C 13 54.5 0.20 . 1 . . . . . 28 . . . 5516 1 105 . 1 1 10 10 MET CB C 13 34.0 0.20 . 1 . . . . . 28 . . . 5516 1 106 . 1 1 10 10 MET CG C 13 31.8 0.20 . 1 . . . . . 28 . . . 5516 1 107 . 1 1 10 10 MET CE C 13 16.8 0.20 . 1 . . . . . 28 . . . 5516 1 108 . 1 1 10 10 MET N N 15 125.3 0.05 . 1 . . . . . 28 . . . 5516 1 109 . 1 1 11 11 ILE H H 1 8.90 0.02 . 1 . . . . . 29 . . . 5516 1 110 . 1 1 11 11 ILE HA H 1 4.36 0.02 . 1 . . . . . 29 . . . 5516 1 111 . 1 1 11 11 ILE HB H 1 1.56 0.02 . 1 . . . . . 29 . . . 5516 1 112 . 1 1 11 11 ILE HG12 H 1 1.47 0.02 . 2 . . . . . 29 . . . 5516 1 113 . 1 1 11 11 ILE HG13 H 1 1.18 0.02 . 2 . . . . . 29 . . . 5516 1 114 . 1 1 11 11 ILE HG21 H 1 0.80 0.02 . 1 . . . . . 29 . . . 5516 1 115 . 1 1 11 11 ILE HG22 H 1 0.80 0.02 . 1 . . . . . 29 . . . 5516 1 116 . 1 1 11 11 ILE HG23 H 1 0.80 0.02 . 1 . . . . . 29 . . . 5516 1 117 . 1 1 11 11 ILE HD11 H 1 0.95 0.03 . 1 . . . . . 29 . . . 5516 1 118 . 1 1 11 11 ILE HD12 H 1 0.95 0.03 . 1 . . . . . 29 . . . 5516 1 119 . 1 1 11 11 ILE HD13 H 1 0.95 0.03 . 1 . . . . . 29 . . . 5516 1 120 . 1 1 11 11 ILE C C 13 173.6 0.20 . 1 . . . . . 29 . . . 5516 1 121 . 1 1 11 11 ILE CA C 13 60.8 0.20 . 1 . . . . . 29 . . . 5516 1 122 . 1 1 11 11 ILE CB C 13 41.0 0.20 . 1 . . . . . 29 . . . 5516 1 123 . 1 1 11 11 ILE CG1 C 13 27.6 0.20 . 1 . . . . . 29 . . . 5516 1 124 . 1 1 11 11 ILE CG2 C 13 17.0 0.20 . 2 . . . . . 29 . . . 5516 1 125 . 1 1 11 11 ILE CD1 C 13 13.8 0.20 . 2 . . . . . 29 . . . 5516 1 126 . 1 1 11 11 ILE N N 15 127.0 0.05 . 1 . . . . . 29 . . . 5516 1 127 . 1 1 12 12 GLU H H 1 8.59 0.02 . 1 . . . . . 30 . . . 5516 1 128 . 1 1 12 12 GLU HA H 1 5.50 0.02 . 1 . . . . . 30 . . . 5516 1 129 . 1 1 12 12 GLU HB2 H 1 1.90 0.02 . 1 . . . . . 30 . . . 5516 1 130 . 1 1 12 12 GLU HB3 H 1 1.90 0.02 . 1 . . . . . 30 . . . 5516 1 131 . 1 1 12 12 GLU HG2 H 1 2.25 0.02 . 2 . . . . . 30 . . . 5516 1 132 . 1 1 12 12 GLU HG3 H 1 2.10 0.02 . 2 . . . . . 30 . . . 5516 1 133 . 1 1 12 12 GLU C C 13 175.1 0.20 . 1 . . . . . 30 . . . 5516 1 134 . 1 1 12 12 GLU CA C 13 54.0 0.20 . 1 . . . . . 30 . . . 5516 1 135 . 1 1 12 12 GLU CB C 13 31.0 0.20 . 1 . . . . . 30 . . . 5516 1 136 . 1 1 12 12 GLU CG C 13 34.6 0.20 . 1 . . . . . 30 . . . 5516 1 137 . 1 1 12 12 GLU N N 15 125.9 0.05 . 1 . . . . . 30 . . . 5516 1 138 . 1 1 13 13 LYS H H 1 8.36 0.02 . 1 . . . . . 31 . . . 5516 1 139 . 1 1 13 13 LYS HA H 1 4.69 0.02 . 1 . . . . . 31 . . . 5516 1 140 . 1 1 13 13 LYS HB2 H 1 1.80 0.02 . 1 . . . . . 31 . . . 5516 1 141 . 1 1 13 13 LYS HB3 H 1 1.80 0.02 . 1 . . . . . 31 . . . 5516 1 142 . 1 1 13 13 LYS HG2 H 1 1.26 0.02 . 1 . . . . . 31 . . . 5516 1 143 . 1 1 13 13 LYS HG3 H 1 1.26 0.02 . 1 . . . . . 31 . . . 5516 1 144 . 1 1 13 13 LYS HD2 H 1 1.86 0.02 . 1 . . . . . 31 . . . 5516 1 145 . 1 1 13 13 LYS HD3 H 1 1.86 0.02 . 1 . . . . . 31 . . . 5516 1 146 . 1 1 13 13 LYS HE2 H 1 3.24 0.02 . 2 . . . . . 31 . . . 5516 1 147 . 1 1 13 13 LYS HE3 H 1 3.01 0.02 . 2 . . . . . 31 . . . 5516 1 148 . 1 1 13 13 LYS C C 13 174.3 0.20 . 1 . . . . . 31 . . . 5516 1 149 . 1 1 13 13 LYS CA C 13 52.5 0.20 . 1 . . . . . 31 . . . 5516 1 150 . 1 1 13 13 LYS CB C 13 37.0 0.20 . 1 . . . . . 31 . . . 5516 1 151 . 1 1 13 13 LYS CG C 13 24.2 0.20 . 1 . . . . . 31 . . . 5516 1 152 . 1 1 13 13 LYS CD C 13 27.8 0.20 . 1 . . . . . 31 . . . 5516 1 153 . 1 1 13 13 LYS CE C 13 41.9 0.20 . 1 . . . . . 31 . . . 5516 1 154 . 1 1 13 13 LYS N N 15 123.8 0.05 . 1 . . . . . 31 . . . 5516 1 155 . 1 1 14 14 ALA H H 1 8.30 0.02 . 1 . . . . . 32 . . . 5516 1 156 . 1 1 14 14 ALA HA H 1 4.75 0.02 . 1 . . . . . 32 . . . 5516 1 157 . 1 1 14 14 ALA HB1 H 1 1.25 0.02 . 1 . . . . . 32 . . . 5516 1 158 . 1 1 14 14 ALA HB2 H 1 1.25 0.02 . 1 . . . . . 32 . . . 5516 1 159 . 1 1 14 14 ALA HB3 H 1 1.25 0.02 . 1 . . . . . 32 . . . 5516 1 160 . 1 1 14 14 ALA C C 13 176.2 0.20 . 1 . . . . . 32 . . . 5516 1 161 . 1 1 14 14 ALA CA C 13 50.9 0.20 . 1 . . . . . 32 . . . 5516 1 162 . 1 1 14 14 ALA CB C 13 20.5 0.20 . 1 . . . . . 32 . . . 5516 1 163 . 1 1 14 14 ALA N N 15 122.9 0.05 . 1 . . . . . 32 . . . 5516 1 164 . 1 1 15 15 LYS H H 1 8.00 0.02 . 1 . . . . . 33 . . . 5516 1 165 . 1 1 15 15 LYS HA H 1 3.52 0.02 . 1 . . . . . 33 . . . 5516 1 166 . 1 1 15 15 LYS HB2 H 1 1.76 0.02 . 2 . . . . . 33 . . . 5516 1 167 . 1 1 15 15 LYS HB3 H 1 1.52 0.02 . 4 . . . . . 33 . . . 5516 1 168 . 1 1 15 15 LYS HG2 H 1 1.55 0.02 . 4 . . . . . 33 . . . 5516 1 169 . 1 1 15 15 LYS HG3 H 1 1.39 0.02 . 2 . . . . . 33 . . . 5516 1 170 . 1 1 15 15 LYS HD2 H 1 1.68 0.02 . 1 . . . . . 33 . . . 5516 1 171 . 1 1 15 15 LYS HD3 H 1 1.68 0.02 . 1 . . . . . 33 . . . 5516 1 172 . 1 1 15 15 LYS HE2 H 1 3.05 0.02 . 1 . . . . . 33 . . . 5516 1 173 . 1 1 15 15 LYS HE3 H 1 3.05 0.02 . 1 . . . . . 33 . . . 5516 1 174 . 1 1 15 15 LYS C C 13 177.2 0.20 . 1 . . . . . 33 . . . 5516 1 175 . 1 1 15 15 LYS CA C 13 57.9 0.20 . 1 . . . . . 33 . . . 5516 1 176 . 1 1 15 15 LYS CB C 13 33.0 0.20 . 1 . . . . . 33 . . . 5516 1 177 . 1 1 15 15 LYS CG C 13 24.6 0.20 . 1 . . . . . 33 . . . 5516 1 178 . 1 1 15 15 LYS CD C 13 29.8 0.20 . 1 . . . . . 33 . . . 5516 1 179 . 1 1 15 15 LYS CE C 13 41.9 0.20 . 1 . . . . . 33 . . . 5516 1 180 . 1 1 15 15 LYS N N 15 119.5 0.05 . 1 . . . . . 33 . . . 5516 1 181 . 1 1 16 16 GLY H H 1 9.95 0.02 . 1 . . . . . 34 . . . 5516 1 182 . 1 1 16 16 GLY HA2 H 1 4.35 0.02 . 2 . . . . . 34 . . . 5516 1 183 . 1 1 16 16 GLY HA3 H 1 3.90 0.02 . 2 . . . . . 34 . . . 5516 1 184 . 1 1 16 16 GLY C C 13 175.3 0.20 . 1 . . . . . 34 . . . 5516 1 185 . 1 1 16 16 GLY CA C 13 44.9 0.20 . 1 . . . . . 34 . . . 5516 1 186 . 1 1 16 16 GLY N N 15 116.0 0.05 . 1 . . . . . 34 . . . 5516 1 187 . 1 1 17 17 GLU H H 1 7.85 0.02 . 1 . . . . . 35 . . . 5516 1 188 . 1 1 17 17 GLU HA H 1 4.46 0.02 . 1 . . . . . 35 . . . 5516 1 189 . 1 1 17 17 GLU HB2 H 1 2.37 0.02 . 2 . . . . . 35 . . . 5516 1 190 . 1 1 17 17 GLU HB3 H 1 2.20 0.02 . 2 . . . . . 35 . . . 5516 1 191 . 1 1 17 17 GLU HG2 H 1 2.32 0.02 . 1 . . . . . 35 . . . 5516 1 192 . 1 1 17 17 GLU HG3 H 1 2.32 0.02 . 1 . . . . . 35 . . . 5516 1 193 . 1 1 17 17 GLU C C 13 173.5 0.20 . 1 . . . . . 35 . . . 5516 1 194 . 1 1 17 17 GLU CA C 13 56.0 0.20 . 1 . . . . . 35 . . . 5516 1 195 . 1 1 17 17 GLU CB C 13 30.0 0.20 . 1 . . . . . 35 . . . 5516 1 196 . 1 1 17 17 GLU CG C 13 36.9 0.20 . 1 . . . . . 35 . . . 5516 1 197 . 1 1 17 17 GLU N N 15 120.18 0.05 . 1 . . . . . 35 . . . 5516 1 198 . 1 1 18 18 THR H H 1 8.30 0.02 . 1 . . . . . 36 . . . 5516 1 199 . 1 1 18 18 THR HA H 1 5.15 0.02 . 1 . . . . . 36 . . . 5516 1 200 . 1 1 18 18 THR HB H 1 3.90 0.02 . 1 . . . . . 36 . . . 5516 1 201 . 1 1 18 18 THR HG21 H 1 0.83 0.02 . 1 . . . . . 36 . . . 5516 1 202 . 1 1 18 18 THR HG22 H 1 0.83 0.02 . 1 . . . . . 36 . . . 5516 1 203 . 1 1 18 18 THR HG23 H 1 0.83 0.02 . 1 . . . . . 36 . . . 5516 1 204 . 1 1 18 18 THR C C 13 174.1 0.20 . 1 . . . . . 36 . . . 5516 1 205 . 1 1 18 18 THR CA C 13 61.0 0.20 . 1 . . . . . 36 . . . 5516 1 206 . 1 1 18 18 THR CB C 13 71.0 0.20 . 1 . . . . . 36 . . . 5516 1 207 . 1 1 18 18 THR CG2 C 13 21.5 0.20 . 1 . . . . . 36 . . . 5516 1 208 . 1 1 18 18 THR N N 15 114.6 0.05 . 1 . . . . . 36 . . . 5516 1 209 . 1 1 19 19 ALA H H 1 8.98 0.02 . 1 . . . . . 37 . . . 5516 1 210 . 1 1 19 19 ALA HA H 1 4.60 0.02 . 1 . . . . . 37 . . . 5516 1 211 . 1 1 19 19 ALA HB1 H 1 1.10 0.02 . 1 . . . . . 37 . . . 5516 1 212 . 1 1 19 19 ALA HB2 H 1 1.10 0.02 . 1 . . . . . 37 . . . 5516 1 213 . 1 1 19 19 ALA HB3 H 1 1.10 0.02 . 1 . . . . . 37 . . . 5516 1 214 . 1 1 19 19 ALA C C 13 174.4 0.20 . 1 . . . . . 37 . . . 5516 1 215 . 1 1 19 19 ALA CA C 13 50.0 0.20 . 1 . . . . . 37 . . . 5516 1 216 . 1 1 19 19 ALA CB C 13 21.8 0.20 . 1 . . . . . 37 . . . 5516 1 217 . 1 1 19 19 ALA N N 15 127.3 0.05 . 1 . . . . . 37 . . . 5516 1 218 . 1 1 20 20 TYR H H 1 8.54 0.02 . 1 . . . . . 38 . . . 5516 1 219 . 1 1 20 20 TYR HA H 1 4.90 0.02 . 1 . . . . . 38 . . . 5516 1 220 . 1 1 20 20 TYR HB2 H 1 2.84 0.02 . 1 . . . . . 38 . . . 5516 1 221 . 1 1 20 20 TYR HB3 H 1 2.84 0.02 . 1 . . . . . 38 . . . 5516 1 222 . 1 1 20 20 TYR HD1 H 1 7.02 0.02 . 1 . . . . . 38 . . . 5516 1 223 . 1 1 20 20 TYR HD2 H 1 7.02 0.02 . 1 . . . . . 38 . . . 5516 1 224 . 1 1 20 20 TYR HE1 H 1 6.74 0.02 . 1 . . . . . 38 . . . 5516 1 225 . 1 1 20 20 TYR HE2 H 1 6.74 0.02 . 1 . . . . . 38 . . . 5516 1 226 . 1 1 20 20 TYR C C 13 173.4 0.20 . 1 . . . . . 38 . . . 5516 1 227 . 1 1 20 20 TYR CA C 13 56.5 0.20 . 1 . . . . . 38 . . . 5516 1 228 . 1 1 20 20 TYR CB C 13 39.0 0.20 . 1 . . . . . 38 . . . 5516 1 229 . 1 1 20 20 TYR CD1 C 13 133.2 0.20 . 1 . . . . . 38 . . . 5516 1 230 . 1 1 20 20 TYR CD2 C 13 133.2 0.20 . 1 . . . . . 38 . . . 5516 1 231 . 1 1 20 20 TYR CE1 C 13 118.0 0.20 . 1 . . . . . 38 . . . 5516 1 232 . 1 1 20 20 TYR CE2 C 13 118.0 0.20 . 1 . . . . . 38 . . . 5516 1 233 . 1 1 20 20 TYR N N 15 124.5 0.05 . 1 . . . . . 38 . . . 5516 1 234 . 1 1 21 21 LEU H H 1 8.90 0.02 . 1 . . . . . 39 . . . 5516 1 235 . 1 1 21 21 LEU HA H 1 4.67 0.02 . 1 . . . . . 39 . . . 5516 1 236 . 1 1 21 21 LEU HB2 H 1 1.37 0.02 . 2 . . . . . 39 . . . 5516 1 237 . 1 1 21 21 LEU HB3 H 1 1.05 0.02 . 2 . . . . . 39 . . . 5516 1 238 . 1 1 21 21 LEU HG H 1 1.10 0.02 . 1 . . . . . 39 . . . 5516 1 239 . 1 1 21 21 LEU HD11 H 1 0.29 0.02 . 2 . . . . . 39 . . . 5516 1 240 . 1 1 21 21 LEU HD12 H 1 0.29 0.02 . 2 . . . . . 39 . . . 5516 1 241 . 1 1 21 21 LEU HD13 H 1 0.29 0.02 . 2 . . . . . 39 . . . 5516 1 242 . 1 1 21 21 LEU HD21 H 1 0.05 0.02 . 2 . . . . . 39 . . . 5516 1 243 . 1 1 21 21 LEU HD22 H 1 0.05 0.02 . 2 . . . . . 39 . . . 5516 1 244 . 1 1 21 21 LEU HD23 H 1 0.05 0.02 . 2 . . . . . 39 . . . 5516 1 245 . 1 1 21 21 LEU CA C 13 51.3 0.20 . 1 . . . . . 39 . . . 5516 1 246 . 1 1 21 21 LEU CB C 13 41.0 0.20 . 1 . . . . . 39 . . . 5516 1 247 . 1 1 21 21 LEU CG C 13 27.9 0.20 . 1 . . . . . 39 . . . 5516 1 248 . 1 1 21 21 LEU CD1 C 13 25.2 0.20 . 1 . . . . . 39 . . . 5516 1 249 . 1 1 21 21 LEU CD2 C 13 25.2 0.20 . 1 . . . . . 39 . . . 5516 1 250 . 1 1 21 21 LEU N N 15 129.8 0.05 . 1 . . . . . 39 . . . 5516 1 251 . 1 1 22 22 PRO HA H 1 4.31 0.03 . 1 . . . . . 40 . . . 5516 1 252 . 1 1 22 22 PRO HB2 H 1 2.13 0.02 . 2 . . . . . 40 . . . 5516 1 253 . 1 1 22 22 PRO HB3 H 1 1.95 0.02 . 2 . . . . . 40 . . . 5516 1 254 . 1 1 22 22 PRO HG2 H 1 1.80 0.02 . 1 . . . . . 40 . . . 5516 1 255 . 1 1 22 22 PRO HG3 H 1 1.80 0.02 . 1 . . . . . 40 . . . 5516 1 256 . 1 1 22 22 PRO HD2 H 1 3.87 0.02 . 2 . . . . . 40 . . . 5516 1 257 . 1 1 22 22 PRO HD3 H 1 3.52 0.02 . 2 . . . . . 40 . . . 5516 1 258 . 1 1 22 22 PRO C C 13 176.2 0.20 . 1 . . . . . 40 . . . 5516 1 259 . 1 1 22 22 PRO CA C 13 61.0 0.20 . 1 . . . . . 40 . . . 5516 1 260 . 1 1 22 22 PRO CB C 13 32.3 0.20 . 1 . . . . . 40 . . . 5516 1 261 . 1 1 22 22 PRO CG C 13 27.5 0.20 . 1 . . . . . 40 . . . 5516 1 262 . 1 1 22 22 PRO CD C 13 51.2 0.20 . 1 . . . . . 40 . . . 5516 1 263 . 1 1 23 23 CYS H H 1 8.59 0.02 . 1 . . . . . 41 . . . 5516 1 264 . 1 1 23 23 CYS HA H 1 4.15 0.02 . 1 . . . . . 41 . . . 5516 1 265 . 1 1 23 23 CYS HB2 H 1 3.43 0.02 . 2 . . . . . 41 . . . 5516 1 266 . 1 1 23 23 CYS HB3 H 1 2.95 0.02 . 2 . . . . . 41 . . . 5516 1 267 . 1 1 23 23 CYS C C 13 170.8 0.20 . 1 . . . . . 41 . . . 5516 1 268 . 1 1 23 23 CYS CA C 13 55.0 0.20 . 1 . . . . . 41 . . . 5516 1 269 . 1 1 23 23 CYS CB C 13 42.2 0.20 . 1 . . . . . 41 . . . 5516 1 270 . 1 1 23 23 CYS N N 15 122.3 0.05 . 1 . . . . . 41 . . . 5516 1 271 . 1 1 24 24 LYS H H 1 8.48 0.02 . 1 . . . . . 42 . . . 5516 1 272 . 1 1 24 24 LYS HA H 1 5.11 0.02 . 1 . . . . . 42 . . . 5516 1 273 . 1 1 24 24 LYS HB2 H 1 1.72 0.02 . 2 . . . . . 42 . . . 5516 1 274 . 1 1 24 24 LYS HB3 H 1 1.64 0.02 . 2 . . . . . 42 . . . 5516 1 275 . 1 1 24 24 LYS HG2 H 1 1.28 0.02 . 1 . . . . . 42 . . . 5516 1 276 . 1 1 24 24 LYS HG3 H 1 1.28 0.02 . 1 . . . . . 42 . . . 5516 1 277 . 1 1 24 24 LYS HD2 H 1 1.58 0.02 . 2 . . . . . 42 . . . 5516 1 278 . 1 1 24 24 LYS HD3 H 1 1.53 0.02 . 2 . . . . . 42 . . . 5516 1 279 . 1 1 24 24 LYS HE2 H 1 2.92 0.02 . 2 . . . . . 42 . . . 5516 1 280 . 1 1 24 24 LYS HE3 H 1 2.85 0.02 . 2 . . . . . 42 . . . 5516 1 281 . 1 1 24 24 LYS C C 13 175.2 0.20 . 1 . . . . . 42 . . . 5516 1 282 . 1 1 24 24 LYS CA C 13 55.0 0.20 . 1 . . . . . 42 . . . 5516 1 283 . 1 1 24 24 LYS CB C 13 34.0 0.20 . 1 . . . . . 42 . . . 5516 1 284 . 1 1 24 24 LYS CG C 13 25.0 0.20 . 1 . . . . . 42 . . . 5516 1 285 . 1 1 24 24 LYS CD C 13 28.7 0.20 . 1 . . . . . 42 . . . 5516 1 286 . 1 1 24 24 LYS CE C 13 42.3 0.20 . 1 . . . . . 42 . . . 5516 1 287 . 1 1 24 24 LYS N N 15 126.4 0.20 . 1 . . . . . 42 . . . 5516 1 288 . 1 1 25 25 PHE H H 1 8.64 0.02 . 1 . . . . . 43 . . . 5516 1 289 . 1 1 25 25 PHE HA H 1 4.91 0.02 . 1 . . . . . 43 . . . 5516 1 290 . 1 1 25 25 PHE HB2 H 1 2.80 0.02 . 2 . . . . . 43 . . . 5516 1 291 . 1 1 25 25 PHE HB3 H 1 2.70 0.02 . 2 . . . . . 43 . . . 5516 1 292 . 1 1 25 25 PHE HD1 H 1 6.86 0.02 . 1 . . . . . 43 . . . 5516 1 293 . 1 1 25 25 PHE HD2 H 1 6.86 0.02 . 1 . . . . . 43 . . . 5516 1 294 . 1 1 25 25 PHE HE1 H 1 7.04 0.03 . 1 . . . . . 43 . . . 5516 1 295 . 1 1 25 25 PHE HE2 H 1 7.04 0.03 . 1 . . . . . 43 . . . 5516 1 296 . 1 1 25 25 PHE HZ H 1 7.14 0.02 . 1 . . . . . 43 . . . 5516 1 297 . 1 1 25 25 PHE C C 13 173.7 0.20 . 1 . . . . . 43 . . . 5516 1 298 . 1 1 25 25 PHE CA C 13 55.7 0.20 . 1 . . . . . 43 . . . 5516 1 299 . 1 1 25 25 PHE CB C 13 42.0 0.20 . 1 . . . . . 43 . . . 5516 1 300 . 1 1 25 25 PHE CD1 C 13 132.5 0.20 . 1 . . . . . 43 . . . 5516 1 301 . 1 1 25 25 PHE CD2 C 13 132.5 0.20 . 1 . . . . . 43 . . . 5516 1 302 . 1 1 25 25 PHE CE1 C 13 130.9 0.20 . 1 . . . . . 43 . . . 5516 1 303 . 1 1 25 25 PHE CE2 C 13 130.9 0.20 . 1 . . . . . 43 . . . 5516 1 304 . 1 1 25 25 PHE CZ C 13 129.9 0.20 . 1 . . . . . 43 . . . 5516 1 305 . 1 1 25 25 PHE N N 15 122.6 0.05 . 1 . . . . . 43 . . . 5516 1 306 . 1 1 26 26 THR H H 1 8.43 0.02 . 1 . . . . . 44 . . . 5516 1 307 . 1 1 26 26 THR HA H 1 4.30 0.02 . 1 . . . . . 44 . . . 5516 1 308 . 1 1 26 26 THR HB H 1 3.98 0.02 . 1 . . . . . 44 . . . 5516 1 309 . 1 1 26 26 THR HG21 H 1 1.15 0.02 . 1 . . . . . 44 . . . 5516 1 310 . 1 1 26 26 THR HG22 H 1 1.15 0.02 . 1 . . . . . 44 . . . 5516 1 311 . 1 1 26 26 THR HG23 H 1 1.15 0.02 . 1 . . . . . 44 . . . 5516 1 312 . 1 1 26 26 THR C C 13 173.6 0.20 . 1 . . . . . 44 . . . 5516 1 313 . 1 1 26 26 THR CA C 13 61.5 0.20 . 1 . . . . . 44 . . . 5516 1 314 . 1 1 26 26 THR CB C 13 69.9 0.20 . 1 . . . . . 44 . . . 5516 1 315 . 1 1 26 26 THR CG2 C 13 21.6 0.20 . 1 . . . . . 44 . . . 5516 1 316 . 1 1 26 26 THR N N 15 118.1 0.05 . 1 . . . . . 44 . . . 5516 1 317 . 1 1 27 27 LEU H H 1 8.62 0.02 . 1 . . . . . 45 . . . 5516 1 318 . 1 1 27 27 LEU HA H 1 4.45 0.02 . 1 . . . . . 45 . . . 5516 1 319 . 1 1 27 27 LEU HB2 H 1 1.72 0.02 . 2 . . . . . 45 . . . 5516 1 320 . 1 1 27 27 LEU HB3 H 1 1.65 0.02 . 2 . . . . . 45 . . . 5516 1 321 . 1 1 27 27 LEU HG H 1 0.93 0.02 . 1 . . . . . 45 . . . 5516 1 322 . 1 1 27 27 LEU HD11 H 1 0.89 0.02 . 2 . . . . . 45 . . . 5516 1 323 . 1 1 27 27 LEU HD12 H 1 0.89 0.02 . 2 . . . . . 45 . . . 5516 1 324 . 1 1 27 27 LEU HD13 H 1 0.89 0.02 . 2 . . . . . 45 . . . 5516 1 325 . 1 1 27 27 LEU HD21 H 1 0.83 0.02 . 2 . . . . . 45 . . . 5516 1 326 . 1 1 27 27 LEU HD22 H 1 0.83 0.02 . 2 . . . . . 45 . . . 5516 1 327 . 1 1 27 27 LEU HD23 H 1 0.83 0.02 . 2 . . . . . 45 . . . 5516 1 328 . 1 1 27 27 LEU C C 13 176.0 0.20 . 1 . . . . . 45 . . . 5516 1 329 . 1 1 27 27 LEU CA C 13 54.1 0.20 . 1 . . . . . 45 . . . 5516 1 330 . 1 1 27 27 LEU CB C 13 42.8 0.20 . 1 . . . . . 45 . . . 5516 1 331 . 1 1 27 27 LEU CG C 13 26.0 0.20 . 1 . . . . . 45 . . . 5516 1 332 . 1 1 27 27 LEU CD1 C 13 23.3 0.20 . 1 . . . . . 45 . . . 5516 1 333 . 1 1 27 27 LEU CD2 C 13 23.3 0.20 . 1 . . . . . 45 . . . 5516 1 334 . 1 1 27 27 LEU N N 15 126.9 0.05 . 1 . . . . . 45 . . . 5516 1 335 . 1 1 28 28 SER H H 1 7.90 0.02 . 1 . . . . . 46 . . . 5516 1 336 . 1 1 28 28 SER HA H 1 4.90 0.02 . 1 . . . . . 46 . . . 5516 1 337 . 1 1 28 28 SER HB2 H 1 3.98 0.02 . 2 . . . . . 46 . . . 5516 1 338 . 1 1 28 28 SER HB3 H 1 3.75 0.02 . 2 . . . . . 46 . . . 5516 1 339 . 1 1 28 28 SER CA C 13 55.9 0.20 . 1 . . . . . 46 . . . 5516 1 340 . 1 1 28 28 SER CB C 13 64.0 0.20 . 1 . . . . . 46 . . . 5516 1 341 . 1 1 28 28 SER N N 15 117.4 0.05 . 1 . . . . . 46 . . . 5516 1 342 . 1 1 29 29 PRO HA H 1 4.37 0.02 . 1 . . . . . 47 . . . 5516 1 343 . 1 1 29 29 PRO HB2 H 1 2.38 0.02 . 2 . . . . . 47 . . . 5516 1 344 . 1 1 29 29 PRO HB3 H 1 1.93 0.02 . 2 . . . . . 47 . . . 5516 1 345 . 1 1 29 29 PRO HG2 H 1 2.08 0.02 . 2 . . . . . 47 . . . 5516 1 346 . 1 1 29 29 PRO HG3 H 1 2.03 0.02 . 2 . . . . . 47 . . . 5516 1 347 . 1 1 29 29 PRO HD2 H 1 3.88 0.02 . 1 . . . . . 47 . . . 5516 1 348 . 1 1 29 29 PRO HD3 H 1 3.88 0.02 . 1 . . . . . 47 . . . 5516 1 349 . 1 1 29 29 PRO C C 13 177.2 0.20 . 1 . . . . . 47 . . . 5516 1 350 . 1 1 29 29 PRO CA C 13 64.8 0.20 . 1 . . . . . 47 . . . 5516 1 351 . 1 1 29 29 PRO CB C 13 32.0 0.20 . 1 . . . . . 47 . . . 5516 1 352 . 1 1 29 29 PRO CG C 13 27.2 0.20 . 1 . . . . . 47 . . . 5516 1 353 . 1 1 29 29 PRO CD C 13 51.2 0.20 . 1 . . . . . 47 . . . 5516 1 354 . 1 1 30 30 GLU H H 1 8.25 0.02 . 1 . . . . . 48 . . . 5516 1 355 . 1 1 30 30 GLU HA H 1 4.24 0.02 . 1 . . . . . 48 . . . 5516 1 356 . 1 1 30 30 GLU HB2 H 1 2.09 0.02 . 2 . . . . . 48 . . . 5516 1 357 . 1 1 30 30 GLU HB3 H 1 1.96 0.02 . 2 . . . . . 48 . . . 5516 1 358 . 1 1 30 30 GLU HG2 H 1 2.36 0.02 . 1 . . . . . 48 . . . 5516 1 359 . 1 1 30 30 GLU HG3 H 1 2.36 0.02 . 1 . . . . . 48 . . . 5516 1 360 . 1 1 30 30 GLU C C 13 176.6 0.20 . 1 . . . . . 48 . . . 5516 1 361 . 1 1 30 30 GLU CA C 13 56.7 0.20 . 1 . . . . . 48 . . . 5516 1 362 . 1 1 30 30 GLU CB C 13 28.3 0.20 . 1 . . . . . 48 . . . 5516 1 363 . 1 1 30 30 GLU CG C 13 34.4 0.20 . 1 . . . . . 48 . . . 5516 1 364 . 1 1 30 30 GLU N N 15 114.7 0.05 . 1 . . . . . 48 . . . 5516 1 365 . 1 1 31 31 ASP H H 1 7.87 0.02 . 1 . . . . . 49 . . . 5516 1 366 . 1 1 31 31 ASP HA H 1 4.90 0.02 . 1 . . . . . 49 . . . 5516 1 367 . 1 1 31 31 ASP HB2 H 1 3.04 0.02 . 1 . . . . . 49 . . . 5516 1 368 . 1 1 31 31 ASP HB3 H 1 3.04 0.02 . 1 . . . . . 49 . . . 5516 1 369 . 1 1 31 31 ASP C C 13 174.5 0.20 . 1 . . . . . 49 . . . 5516 1 370 . 1 1 31 31 ASP CA C 13 53.4 0.20 . 1 . . . . . 49 . . . 5516 1 371 . 1 1 31 31 ASP CB C 13 37.1 0.20 . 1 . . . . . 49 . . . 5516 1 372 . 1 1 31 31 ASP N N 15 120.7 0.05 . 1 . . . . . 49 . . . 5516 1 373 . 1 1 32 32 GLN H H 1 8.14 0.02 . 1 . . . . . 50 . . . 5516 1 374 . 1 1 32 32 GLN HA H 1 4.40 0.02 . 1 . . . . . 50 . . . 5516 1 375 . 1 1 32 32 GLN HB2 H 1 2.33 0.02 . 2 . . . . . 50 . . . 5516 1 376 . 1 1 32 32 GLN HB3 H 1 1.92 0.02 . 2 . . . . . 50 . . . 5516 1 377 . 1 1 32 32 GLN HG2 H 1 2.38 0.02 . 1 . . . . . 50 . . . 5516 1 378 . 1 1 32 32 GLN HG3 H 1 2.38 0.02 . 1 . . . . . 50 . . . 5516 1 379 . 1 1 32 32 GLN HE21 H 1 7.39 0.02 . 2 . . . . . 50 . . . 5516 1 380 . 1 1 32 32 GLN HE22 H 1 6.83 0.02 . 2 . . . . . 50 . . . 5516 1 381 . 1 1 32 32 GLN C C 13 176.5 0.20 . 1 . . . . . 50 . . . 5516 1 382 . 1 1 32 32 GLN CA C 13 55.7 0.20 . 1 . . . . . 50 . . . 5516 1 383 . 1 1 32 32 GLN CB C 13 30.5 0.20 . 1 . . . . . 50 . . . 5516 1 384 . 1 1 32 32 GLN CG C 13 33.6 0.20 . 1 . . . . . 50 . . . 5516 1 385 . 1 1 32 32 GLN N N 15 123.4 0.05 . 1 . . . . . 50 . . . 5516 1 386 . 1 1 32 32 GLN NE2 N 15 112.3 0.05 . 1 . . . . . 50 . . . 5516 1 387 . 1 1 33 33 GLY H H 1 8.53 0.02 . 1 . . . . . 51 . . . 5516 1 388 . 1 1 33 33 GLY HA2 H 1 4.23 0.02 . 2 . . . . . 51 . . . 5516 1 389 . 1 1 33 33 GLY HA3 H 1 3.90 0.02 . 2 . . . . . 51 . . . 5516 1 390 . 1 1 33 33 GLY CA C 13 45.2 0.20 . 1 . . . . . 51 . . . 5516 1 391 . 1 1 33 33 GLY N N 15 108.7 0.05 . 1 . . . . . 51 . . . 5516 1 392 . 1 1 34 34 PRO HA H 1 4.40 0.02 . 1 . . . . . 52 . . . 5516 1 393 . 1 1 34 34 PRO HB2 H 1 2.23 0.02 . 2 . . . . . 52 . . . 5516 1 394 . 1 1 34 34 PRO HB3 H 1 2.08 0.02 . 2 . . . . . 52 . . . 5516 1 395 . 1 1 34 34 PRO HG2 H 1 1.95 0.02 . 1 . . . . . 52 . . . 5516 1 396 . 1 1 34 34 PRO HG3 H 1 1.95 0.02 . 1 . . . . . 52 . . . 5516 1 397 . 1 1 34 34 PRO HD2 H 1 3.58 0.02 . 1 . . . . . 52 . . . 5516 1 398 . 1 1 34 34 PRO HD3 H 1 3.58 0.02 . 1 . . . . . 52 . . . 5516 1 399 . 1 1 34 34 PRO C C 13 176.7 0.20 . 1 . . . . . 52 . . . 5516 1 400 . 1 1 34 34 PRO CA C 13 62.70 0.20 . 1 . . . . . 52 . . . 5516 1 401 . 1 1 34 34 PRO CB C 13 32.0 0.20 . 1 . . . . . 52 . . . 5516 1 402 . 1 1 34 34 PRO CG C 13 27.2 0.20 . 1 . . . . . 52 . . . 5516 1 403 . 1 1 34 34 PRO CD C 13 49.8 0.20 . 1 . . . . . 52 . . . 5516 1 404 . 1 1 35 35 LEU H H 1 8.49 0.02 . 1 . . . . . 53 . . . 5516 1 405 . 1 1 35 35 LEU HA H 1 4.75 0.02 . 1 . . . . . 53 . . . 5516 1 406 . 1 1 35 35 LEU HB2 H 1 1.42 0.02 . 1 . . . . . 53 . . . 5516 1 407 . 1 1 35 35 LEU HB3 H 1 1.42 0.02 . 1 . . . . . 53 . . . 5516 1 408 . 1 1 35 35 LEU HG H 1 1.33 0.02 . 1 . . . . . 53 . . . 5516 1 409 . 1 1 35 35 LEU HD11 H 1 0.94 0.02 . 2 . . . . . 53 . . . 5516 1 410 . 1 1 35 35 LEU HD12 H 1 0.94 0.02 . 2 . . . . . 53 . . . 5516 1 411 . 1 1 35 35 LEU HD13 H 1 0.94 0.02 . 2 . . . . . 53 . . . 5516 1 412 . 1 1 35 35 LEU HD21 H 1 0.73 0.02 . 2 . . . . . 53 . . . 5516 1 413 . 1 1 35 35 LEU HD22 H 1 0.73 0.02 . 2 . . . . . 53 . . . 5516 1 414 . 1 1 35 35 LEU HD23 H 1 0.73 0.02 . 2 . . . . . 53 . . . 5516 1 415 . 1 1 35 35 LEU C C 13 175.4 0.20 . 1 . . . . . 53 . . . 5516 1 416 . 1 1 35 35 LEU CA C 13 55.2 0.20 . 1 . . . . . 53 . . . 5516 1 417 . 1 1 35 35 LEU CB C 13 43.5 0.20 . 1 . . . . . 53 . . . 5516 1 418 . 1 1 35 35 LEU CG C 13 27.2 0.20 . 1 . . . . . 53 . . . 5516 1 419 . 1 1 35 35 LEU CD1 C 13 23.6 0.20 . 1 . . . . . 53 . . . 5516 1 420 . 1 1 35 35 LEU CD2 C 13 23.6 0.20 . 1 . . . . . 53 . . . 5516 1 421 . 1 1 35 35 LEU N N 15 124.4 0.05 . 1 . . . . . 53 . . . 5516 1 422 . 1 1 36 36 ASP H H 1 9.06 0.02 . 1 . . . . . 54 . . . 5516 1 423 . 1 1 36 36 ASP HA H 1 5.63 0.02 . 1 . . . . . 54 . . . 5516 1 424 . 1 1 36 36 ASP HB2 H 1 2.78 0.02 . 2 . . . . . 54 . . . 5516 1 425 . 1 1 36 36 ASP HB3 H 1 2.67 0.02 . 2 . . . . . 54 . . . 5516 1 426 . 1 1 36 36 ASP C C 13 174.4 0.20 . 1 . . . . . 54 . . . 5516 1 427 . 1 1 36 36 ASP CA C 13 52.8 0.20 . 1 . . . . . 54 . . . 5516 1 428 . 1 1 36 36 ASP CB C 13 42.8 0.20 . 1 . . . . . 54 . . . 5516 1 429 . 1 1 36 36 ASP N N 15 128.0 0.05 . 1 . . . . . 54 . . . 5516 1 430 . 1 1 37 37 ILE H H 1 9.19 0.02 . 1 . . . . . 55 . . . 5516 1 431 . 1 1 37 37 ILE HA H 1 4.92 0.02 . 1 . . . . . 55 . . . 5516 1 432 . 1 1 37 37 ILE HB H 1 1.94 0.02 . 1 . . . . . 55 . . . 5516 1 433 . 1 1 37 37 ILE HG12 H 1 0.89 0.02 . 1 . . . . . 55 . . . 5516 1 434 . 1 1 37 37 ILE HG13 H 1 0.89 0.02 . 1 . . . . . 55 . . . 5516 1 435 . 1 1 37 37 ILE HG21 H 1 1.10 0.02 . 1 . . . . . 55 . . . 5516 1 436 . 1 1 37 37 ILE HG22 H 1 1.10 0.02 . 1 . . . . . 55 . . . 5516 1 437 . 1 1 37 37 ILE HG23 H 1 1.10 0.02 . 1 . . . . . 55 . . . 5516 1 438 . 1 1 37 37 ILE HD11 H 1 0.67 0.02 . 1 . . . . . 55 . . . 5516 1 439 . 1 1 37 37 ILE HD12 H 1 0.67 0.02 . 1 . . . . . 55 . . . 5516 1 440 . 1 1 37 37 ILE HD13 H 1 0.67 0.02 . 1 . . . . . 55 . . . 5516 1 441 . 1 1 37 37 ILE C C 13 174.2 0.20 . 1 . . . . . 55 . . . 5516 1 442 . 1 1 37 37 ILE CA C 13 60.0 0.20 . 1 . . . . . 55 . . . 5516 1 443 . 1 1 37 37 ILE CB C 13 42.8 0.20 . 1 . . . . . 55 . . . 5516 1 444 . 1 1 37 37 ILE CG1 C 13 27.5 0.20 . 1 . . . . . 55 . . . 5516 1 445 . 1 1 37 37 ILE CG2 C 13 18.4 0.20 . 1 . . . . . 55 . . . 5516 1 446 . 1 1 37 37 ILE CD1 C 13 14.7 0.20 . 1 . . . . . 55 . . . 5516 1 447 . 1 1 37 37 ILE N N 15 123.2 0.05 . 1 . . . . . 55 . . . 5516 1 448 . 1 1 38 38 GLU H H 1 9.21 0.02 . 1 . . . . . 56 . . . 5516 1 449 . 1 1 38 38 GLU HA H 1 5.50 0.02 . 1 . . . . . 56 . . . 5516 1 450 . 1 1 38 38 GLU HB2 H 1 2.25 0.02 . 2 . . . . . 56 . . . 5516 1 451 . 1 1 38 38 GLU HB3 H 1 2.13 0.02 . 2 . . . . . 56 . . . 5516 1 452 . 1 1 38 38 GLU HG2 H 1 2.30 0.02 . 1 . . . . . 56 . . . 5516 1 453 . 1 1 38 38 GLU HG3 H 1 2.30 0.02 . 1 . . . . . 56 . . . 5516 1 454 . 1 1 38 38 GLU C C 13 173.9 0.20 . 1 . . . . . 56 . . . 5516 1 455 . 1 1 38 38 GLU CA C 13 54.4 0.20 . 1 . . . . . 56 . . . 5516 1 456 . 1 1 38 38 GLU CB C 13 33.5 0.20 . 1 . . . . . 56 . . . 5516 1 457 . 1 1 38 38 GLU CG C 13 33.5 0.20 . 1 . . . . . 56 . . . 5516 1 458 . 1 1 38 38 GLU N N 15 124.8 0.05 . 1 . . . . . 56 . . . 5516 1 459 . 1 1 39 39 TRP H H 1 8.44 0.02 . 1 . . . . . 57 . . . 5516 1 460 . 1 1 39 39 TRP HA H 1 6.05 0.02 . 1 . . . . . 57 . . . 5516 1 461 . 1 1 39 39 TRP HB2 H 1 2.97 0.02 . 1 . . . . . 57 . . . 5516 1 462 . 1 1 39 39 TRP HB3 H 1 2.97 0.02 . 1 . . . . . 57 . . . 5516 1 463 . 1 1 39 39 TRP HD1 H 1 6.76 0.02 . 1 . . . . . 57 . . . 5516 1 464 . 1 1 39 39 TRP HE1 H 1 10.75 0.03 . 1 . . . . . 57 . . . 5516 1 465 . 1 1 39 39 TRP HE3 H 1 7.28 0.02 . 1 . . . . . 57 . . . 5516 1 466 . 1 1 39 39 TRP HZ2 H 1 7.41 0.02 . 1 . . . . . 57 . . . 5516 1 467 . 1 1 39 39 TRP HZ3 H 1 6.66 0.02 . 4 . . . . . 57 . . . 5516 1 468 . 1 1 39 39 TRP HH2 H 1 6.65 0.02 . 4 . . . . . 57 . . . 5516 1 469 . 1 1 39 39 TRP C C 13 176.3 0.20 . 1 . . . . . 57 . . . 5516 1 470 . 1 1 39 39 TRP CA C 13 56.0 0.20 . 1 . . . . . 57 . . . 5516 1 471 . 1 1 39 39 TRP CB C 13 32.0 0.20 . 1 . . . . . 57 . . . 5516 1 472 . 1 1 39 39 TRP CD1 C 13 124.3 0.20 . 1 . . . . . 57 . . . 5516 1 473 . 1 1 39 39 TRP CE3 C 13 119.6 0.20 . 1 . . . . . 57 . . . 5516 1 474 . 1 1 39 39 TRP CZ2 C 13 117.0 0.20 . 1 . . . . . 57 . . . 5516 1 475 . 1 1 39 39 TRP CZ3 C 13 120.5 0.20 . 1 . . . . . 57 . . . 5516 1 476 . 1 1 39 39 TRP CH2 C 13 123.9 0.20 . 1 . . . . . 57 . . . 5516 1 477 . 1 1 39 39 TRP N N 15 119.9 0.05 . 1 . . . . . 57 . . . 5516 1 478 . 1 1 40 40 LEU H H 1 9.39 0.02 . 1 . . . . . 58 . . . 5516 1 479 . 1 1 40 40 LEU HA H 1 5.28 0.02 . 1 . . . . . 58 . . . 5516 1 480 . 1 1 40 40 LEU HB2 H 1 1.48 0.02 . 2 . . . . . 58 . . . 5516 1 481 . 1 1 40 40 LEU HB3 H 1 1.20 0.02 . 2 . . . . . 58 . . . 5516 1 482 . 1 1 40 40 LEU HG H 1 1.37 0.02 . 1 . . . . . 58 . . . 5516 1 483 . 1 1 40 40 LEU HD11 H 1 0.67 0.02 . 2 . . . . . 58 . . . 5516 1 484 . 1 1 40 40 LEU HD12 H 1 0.67 0.02 . 2 . . . . . 58 . . . 5516 1 485 . 1 1 40 40 LEU HD13 H 1 0.67 0.02 . 2 . . . . . 58 . . . 5516 1 486 . 1 1 40 40 LEU HD21 H 1 0.57 0.02 . 2 . . . . . 58 . . . 5516 1 487 . 1 1 40 40 LEU HD22 H 1 0.57 0.02 . 2 . . . . . 58 . . . 5516 1 488 . 1 1 40 40 LEU HD23 H 1 0.57 0.02 . 2 . . . . . 58 . . . 5516 1 489 . 1 1 40 40 LEU C C 13 175.1 0.20 . 1 . . . . . 58 . . . 5516 1 490 . 1 1 40 40 LEU CA C 13 53.5 0.20 . 1 . . . . . 58 . . . 5516 1 491 . 1 1 40 40 LEU CB C 13 45.8 0.20 . 1 . . . . . 58 . . . 5516 1 492 . 1 1 40 40 LEU CG C 13 28.4 0.20 . 1 . . . . . 58 . . . 5516 1 493 . 1 1 40 40 LEU CD1 C 13 25.8 0.20 . 1 . . . . . 58 . . . 5516 1 494 . 1 1 40 40 LEU CD2 C 13 25.8 0.20 . 1 . . . . . 58 . . . 5516 1 495 . 1 1 40 40 LEU N N 15 121.5 0.05 . 1 . . . . . 58 . . . 5516 1 496 . 1 1 41 41 ILE H H 1 9.28 0.02 . 1 . . . . . 59 . . . 5516 1 497 . 1 1 41 41 ILE HA H 1 5.28 0.02 . 1 . . . . . 59 . . . 5516 1 498 . 1 1 41 41 ILE HB H 1 0.90 0.02 . 1 . . . . . 59 . . . 5516 1 499 . 1 1 41 41 ILE HG12 H 1 0.26 0.02 . 2 . . . . . 59 . . . 5516 1 500 . 1 1 41 41 ILE HG13 H 1 0.22 0.02 . 2 . . . . . 59 . . . 5516 1 501 . 1 1 41 41 ILE HG21 H 1 0.06 0.02 . 1 . . . . . 59 . . . 5516 1 502 . 1 1 41 41 ILE HG22 H 1 0.06 0.02 . 1 . . . . . 59 . . . 5516 1 503 . 1 1 41 41 ILE HG23 H 1 0.06 0.02 . 1 . . . . . 59 . . . 5516 1 504 . 1 1 41 41 ILE HD11 H 1 0.40 0.02 . 1 . . . . . 59 . . . 5516 1 505 . 1 1 41 41 ILE HD12 H 1 0.40 0.02 . 1 . . . . . 59 . . . 5516 1 506 . 1 1 41 41 ILE HD13 H 1 0.40 0.02 . 1 . . . . . 59 . . . 5516 1 507 . 1 1 41 41 ILE C C 13 176.0 0.20 . 1 . . . . . 59 . . . 5516 1 508 . 1 1 41 41 ILE CA C 13 58.5 0.20 . 1 . . . . . 59 . . . 5516 1 509 . 1 1 41 41 ILE CB C 13 42.3 0.20 . 1 . . . . . 59 . . . 5516 1 510 . 1 1 41 41 ILE CG1 C 13 25.3 0.20 . 1 . . . . . 59 . . . 5516 1 511 . 1 1 41 41 ILE CG2 C 13 15.2 0.20 . 1 . . . . . 59 . . . 5516 1 512 . 1 1 41 41 ILE CD1 C 13 14.5 0.20 . 1 . . . . . 59 . . . 5516 1 513 . 1 1 41 41 ILE N N 15 119.7 0.05 . 1 . . . . . 59 . . . 5516 1 514 . 1 1 42 42 SER H H 1 8.25 0.02 . 1 . . . . . 60 . . . 5516 1 515 . 1 1 42 42 SER HA H 1 5.28 0.02 . 1 . . . . . 60 . . . 5516 1 516 . 1 1 42 42 SER HB2 H 1 3.98 0.02 . 2 . . . . . 60 . . . 5516 1 517 . 1 1 42 42 SER HB3 H 1 3.73 0.02 . 2 . . . . . 60 . . . 5516 1 518 . 1 1 42 42 SER CA C 13 54.0 0.20 . 1 . . . . . 60 . . . 5516 1 519 . 1 1 42 42 SER CB C 13 63.7 0.20 . 1 . . . . . 60 . . . 5516 1 520 . 1 1 42 42 SER N N 15 122.3 0.05 . 1 . . . . . 60 . . . 5516 1 521 . 1 1 43 43 PRO HA H 1 4.42 0.02 . 1 . . . . . 61 . . . 5516 1 522 . 1 1 43 43 PRO HB2 H 1 2.32 0.02 . 2 . . . . . 61 . . . 5516 1 523 . 1 1 43 43 PRO HB3 H 1 2.15 0.02 . 2 . . . . . 61 . . . 5516 1 524 . 1 1 43 43 PRO HG2 H 1 2.04 0.02 . 2 . . . . . 61 . . . 5516 1 525 . 1 1 43 43 PRO HG3 H 1 1.95 0.02 . 2 . . . . . 61 . . . 5516 1 526 . 1 1 43 43 PRO HD2 H 1 3.64 0.02 . 1 . . . . . 61 . . . 5516 1 527 . 1 1 43 43 PRO HD3 H 1 3.64 0.02 . 1 . . . . . 61 . . . 5516 1 528 . 1 1 43 43 PRO C C 13 174.4 0.20 . 1 . . . . . 61 . . . 5516 1 529 . 1 1 43 43 PRO CA C 13 62.7 0.20 . 1 . . . . . 61 . . . 5516 1 530 . 1 1 43 43 PRO CB C 13 32.3 0.20 . 1 . . . . . 61 . . . 5516 1 531 . 1 1 43 43 PRO CG C 13 27.0 0.20 . 1 . . . . . 61 . . . 5516 1 532 . 1 1 43 43 PRO CD C 13 50.0 0.20 . 1 . . . . . 61 . . . 5516 1 533 . 1 1 44 44 ALA H H 1 8.54 0.02 . 1 . . . . . 62 . . . 5516 1 534 . 1 1 44 44 ALA HA H 1 4.15 0.02 . 1 . . . . . 62 . . . 5516 1 535 . 1 1 44 44 ALA HB1 H 1 1.41 0.02 . 1 . . . . . 62 . . . 5516 1 536 . 1 1 44 44 ALA HB2 H 1 1.41 0.02 . 1 . . . . . 62 . . . 5516 1 537 . 1 1 44 44 ALA HB3 H 1 1.41 0.02 . 1 . . . . . 62 . . . 5516 1 538 . 1 1 44 44 ALA C C 13 178.4 0.02 . 1 . . . . . 62 . . . 5516 1 539 . 1 1 44 44 ALA CA C 13 54.0 0.02 . 1 . . . . . 62 . . . 5516 1 540 . 1 1 44 44 ALA CB C 13 19.0 0.02 . 1 . . . . . 62 . . . 5516 1 541 . 1 1 44 44 ALA N N 15 124.5 0.05 . 1 . . . . . 62 . . . 5516 1 542 . 1 1 45 45 ASP H H 1 8.22 0.02 . 1 . . . . . 63 . . . 5516 1 543 . 1 1 45 45 ASP HA H 1 4.54 0.02 . 1 . . . . . 63 . . . 5516 1 544 . 1 1 45 45 ASP HB2 H 1 3.04 0.02 . 2 . . . . . 63 . . . 5516 1 545 . 1 1 45 45 ASP HB3 H 1 2.80 0.02 . 2 . . . . . 63 . . . 5516 1 546 . 1 1 45 45 ASP C C 13 175.4 0.20 . 1 . . . . . 63 . . . 5516 1 547 . 1 1 45 45 ASP CA C 13 53.0 0.20 . 1 . . . . . 63 . . . 5516 1 548 . 1 1 45 45 ASP CB C 13 38.7 0.20 . 1 . . . . . 63 . . . 5516 1 549 . 1 1 45 45 ASP N N 15 112.9 0.05 . 1 . . . . . 63 . . . 5516 1 550 . 1 1 46 46 ASN H H 1 7.65 0.02 . 1 . . . . . 64 . . . 5516 1 551 . 1 1 46 46 ASN HA H 1 4.68 0.02 . 1 . . . . . 64 . . . 5516 1 552 . 1 1 46 46 ASN HB2 H 1 2.83 0.02 . 2 . . . . . 64 . . . 5516 1 553 . 1 1 46 46 ASN HB3 H 1 2.77 0.02 . 2 . . . . . 64 . . . 5516 1 554 . 1 1 46 46 ASN HD21 H 1 7.59 0.02 . 2 . . . . . 64 . . . 5516 1 555 . 1 1 46 46 ASN HD22 H 1 6.78 0.02 . 2 . . . . . 64 . . . 5516 1 556 . 1 1 46 46 ASN C C 13 174.3 0.20 . 1 . . . . . 64 . . . 5516 1 557 . 1 1 46 46 ASN CA C 13 53.5 0.20 . 1 . . . . . 64 . . . 5516 1 558 . 1 1 46 46 ASN CB C 13 38.5 0.20 . 1 . . . . . 64 . . . 5516 1 559 . 1 1 46 46 ASN N N 15 117.1 0.05 . 1 . . . . . 64 . . . 5516 1 560 . 1 1 46 46 ASN ND2 N 15 111.5 0.05 . 1 . . . . . 64 . . . 5516 1 561 . 1 1 47 47 GLN H H 1 8.41 0.02 . 1 . . . . . 65 . . . 5516 1 562 . 1 1 47 47 GLN HA H 1 4.24 0.02 . 1 . . . . . 65 . . . 5516 1 563 . 1 1 47 47 GLN HB2 H 1 2.18 0.02 . 2 . . . . . 65 . . . 5516 1 564 . 1 1 47 47 GLN HB3 H 1 1.92 0.02 . 2 . . . . . 65 . . . 5516 1 565 . 1 1 47 47 GLN HG2 H 1 2.39 0.02 . 1 . . . . . 65 . . . 5516 1 566 . 1 1 47 47 GLN HG3 H 1 2.39 0.02 . 1 . . . . . 65 . . . 5516 1 567 . 1 1 47 47 GLN HE21 H 1 7.53 0.02 . 2 . . . . . 65 . . . 5516 1 568 . 1 1 47 47 GLN HE22 H 1 6.81 0.02 . 2 . . . . . 65 . . . 5516 1 569 . 1 1 47 47 GLN C C 13 176.5 0.20 . 1 . . . . . 65 . . . 5516 1 570 . 1 1 47 47 GLN CA C 13 57.0 0.20 . 1 . . . . . 65 . . . 5516 1 571 . 1 1 47 47 GLN CB C 13 29.0 0.20 . 1 . . . . . 65 . . . 5516 1 572 . 1 1 47 47 GLN CG C 13 34.4 0.20 . 1 . . . . . 65 . . . 5516 1 573 . 1 1 47 47 GLN N N 15 118.6 0.05 . 1 . . . . . 65 . . . 5516 1 574 . 1 1 47 47 GLN NE2 N 15 112.8 0.05 . 1 . . . . . 65 . . . 5516 1 575 . 1 1 48 48 LYS H H 1 8.12 0.02 . 1 . . . . . 66 . . . 5516 1 576 . 1 1 48 48 LYS HA H 1 4.27 0.02 . 1 . . . . . 66 . . . 5516 1 577 . 1 1 48 48 LYS HB2 H 1 1.78 0.02 . 2 . . . . . 66 . . . 5516 1 578 . 1 1 48 48 LYS HB3 H 1 1.68 0.02 . 2 . . . . . 66 . . . 5516 1 579 . 1 1 48 48 LYS HG2 H 1 1.43 0.02 . 2 . . . . . 66 . . . 5516 1 580 . 1 1 48 48 LYS HG3 H 1 1.39 0.02 . 2 . . . . . 66 . . . 5516 1 581 . 1 1 48 48 LYS HD2 H 1 1.66 0.02 . 2 . . . . . 66 . . . 5516 1 582 . 1 1 48 48 LYS HD3 H 1 1.63 0.02 . 2 . . . . . 66 . . . 5516 1 583 . 1 1 48 48 LYS HE2 H 1 2.99 0.02 . 1 . . . . . 66 . . . 5516 1 584 . 1 1 48 48 LYS HE3 H 1 2.99 0.02 . 1 . . . . . 66 . . . 5516 1 585 . 1 1 48 48 LYS C C 13 176.2 0.20 . 1 . . . . . 66 . . . 5516 1 586 . 1 1 48 48 LYS CA C 13 56.8 0.20 . 1 . . . . . 66 . . . 5516 1 587 . 1 1 48 48 LYS CB C 13 32.8 0.20 . 1 . . . . . 66 . . . 5516 1 588 . 1 1 48 48 LYS CG C 13 25.3 0.20 . 1 . . . . . 66 . . . 5516 1 589 . 1 1 48 48 LYS CD C 13 29.2 0.20 . 1 . . . . . 66 . . . 5516 1 590 . 1 1 48 48 LYS CE C 13 42.1 0.20 . 1 . . . . . 66 . . . 5516 1 591 . 1 1 48 48 LYS N N 15 118.8 0.05 . 1 . . . . . 66 . . . 5516 1 592 . 1 1 49 49 VAL H H 1 7.77 0.02 . 1 . . . . . 67 . . . 5516 1 593 . 1 1 49 49 VAL HA H 1 4.30 0.02 . 1 . . . . . 67 . . . 5516 1 594 . 1 1 49 49 VAL HB H 1 2.08 0.02 . 1 . . . . . 67 . . . 5516 1 595 . 1 1 49 49 VAL HG11 H 1 0.92 0.02 . 2 . . . . . 67 . . . 5516 1 596 . 1 1 49 49 VAL HG12 H 1 0.92 0.02 . 2 . . . . . 67 . . . 5516 1 597 . 1 1 49 49 VAL HG13 H 1 0.92 0.02 . 2 . . . . . 67 . . . 5516 1 598 . 1 1 49 49 VAL HG21 H 1 0.86 0.02 . 2 . . . . . 67 . . . 5516 1 599 . 1 1 49 49 VAL HG22 H 1 0.86 0.02 . 2 . . . . . 67 . . . 5516 1 600 . 1 1 49 49 VAL HG23 H 1 0.86 0.02 . 2 . . . . . 67 . . . 5516 1 601 . 1 1 49 49 VAL C C 13 174.9 0.20 . 1 . . . . . 67 . . . 5516 1 602 . 1 1 49 49 VAL CA C 13 60.9 0.20 . 1 . . . . . 67 . . . 5516 1 603 . 1 1 49 49 VAL CB C 13 34.2 0.20 . 1 . . . . . 67 . . . 5516 1 604 . 1 1 49 49 VAL CG1 C 13 21.5 0.20 . 2 . . . . . 67 . . . 5516 1 605 . 1 1 49 49 VAL CG2 C 13 19.6 0.20 . 2 . . . . . 67 . . . 5516 1 606 . 1 1 49 49 VAL N N 15 117.3 0.05 . 1 . . . . . 67 . . . 5516 1 607 . 1 1 50 50 ASP H H 1 8.37 0.02 . 1 . . . . . 68 . . . 5516 1 608 . 1 1 50 50 ASP HA H 1 4.50 0.02 . 1 . . . . . 68 . . . 5516 1 609 . 1 1 50 50 ASP HB2 H 1 2.61 0.02 . 1 . . . . . 68 . . . 5516 1 610 . 1 1 50 50 ASP HB3 H 1 2.61 0.02 . 1 . . . . . 68 . . . 5516 1 611 . 1 1 50 50 ASP C C 13 174.3 0.20 . 1 . . . . . 68 . . . 5516 1 612 . 1 1 50 50 ASP CA C 13 53.9 0.20 . 1 . . . . . 68 . . . 5516 1 613 . 1 1 50 50 ASP CB C 13 38.9 0.20 . 1 . . . . . 68 . . . 5516 1 614 . 1 1 50 50 ASP N N 15 122.4 0.05 . 1 . . . . . 68 . . . 5516 1 615 . 1 1 51 51 GLN H H 1 8.55 0.02 . 1 . . . . . 69 . . . 5516 1 616 . 1 1 51 51 GLN HA H 1 4.52 0.02 . 1 . . . . . 69 . . . 5516 1 617 . 1 1 51 51 GLN HB2 H 1 1.84 0.02 . 1 . . . . . 69 . . . 5516 1 618 . 1 1 51 51 GLN HB3 H 1 1.84 0.02 . 1 . . . . . 69 . . . 5516 1 619 . 1 1 51 51 GLN HG2 H 1 2.09 0.02 . 1 . . . . . 69 . . . 5516 1 620 . 1 1 51 51 GLN HG3 H 1 2.09 0.02 . 1 . . . . . 69 . . . 5516 1 621 . 1 1 51 51 GLN HE21 H 1 7.80 0.02 . 2 . . . . . 69 . . . 5516 1 622 . 1 1 51 51 GLN HE22 H 1 6.78 0.02 . 2 . . . . . 69 . . . 5516 1 623 . 1 1 51 51 GLN C C 13 175.3 0.20 . 1 . . . . . 69 . . . 5516 1 624 . 1 1 51 51 GLN CA C 13 54.0 0.20 . 1 . . . . . 69 . . . 5516 1 625 . 1 1 51 51 GLN CB C 13 30.8 0.20 . 1 . . . . . 69 . . . 5516 1 626 . 1 1 51 51 GLN CG C 13 34.0 0.20 . 1 . . . . . 69 . . . 5516 1 627 . 1 1 51 51 GLN N N 15 120.1 0.05 . 1 . . . . . 69 . . . 5516 1 628 . 1 1 51 51 GLN NE2 N 15 114.4 0.05 . 1 . . . . . 69 . . . 5516 1 629 . 1 1 52 52 VAL H H 1 8.50 0.02 . 1 . . . . . 70 . . . 5516 1 630 . 1 1 52 52 VAL HA H 1 4.05 0.02 . 1 . . . . . 70 . . . 5516 1 631 . 1 1 52 52 VAL HB H 1 1.56 0.02 . 1 . . . . . 70 . . . 5516 1 632 . 1 1 52 52 VAL HG11 H 1 0.67 0.02 . 2 . . . . . 70 . . . 5516 1 633 . 1 1 52 52 VAL HG12 H 1 0.67 0.02 . 2 . . . . . 70 . . . 5516 1 634 . 1 1 52 52 VAL HG13 H 1 0.67 0.02 . 2 . . . . . 70 . . . 5516 1 635 . 1 1 52 52 VAL HG21 H 1 0.55 0.02 . 2 . . . . . 70 . . . 5516 1 636 . 1 1 52 52 VAL HG22 H 1 0.55 0.02 . 2 . . . . . 70 . . . 5516 1 637 . 1 1 52 52 VAL HG23 H 1 0.55 0.02 . 2 . . . . . 70 . . . 5516 1 638 . 1 1 52 52 VAL C C 13 175.8 0.20 . 1 . . . . . 70 . . . 5516 1 639 . 1 1 52 52 VAL CA C 13 64.0 0.20 . 1 . . . . . 70 . . . 5516 1 640 . 1 1 52 52 VAL CB C 13 39.8 0.20 . 1 . . . . . 70 . . . 5516 1 641 . 1 1 52 52 VAL CG1 C 13 21.8 0.20 . 1 . . . . . 70 . . . 5516 1 642 . 1 1 52 52 VAL CG2 C 13 21.8 0.20 . 1 . . . . . 70 . . . 5516 1 643 . 1 1 52 52 VAL N N 15 126.7 0.05 . 1 . . . . . 70 . . . 5516 1 644 . 1 1 53 53 ILE H H 1 8.81 0.02 . 1 . . . . . 71 . . . 5516 1 645 . 1 1 53 53 ILE HA H 1 4.75 0.02 . 1 . . . . . 71 . . . 5516 1 646 . 1 1 53 53 ILE HB H 1 1.80 0.02 . 1 . . . . . 71 . . . 5516 1 647 . 1 1 53 53 ILE HG12 H 1 1.37 0.02 . 2 . . . . . 71 . . . 5516 1 648 . 1 1 53 53 ILE HG13 H 1 0.82 0.02 . 2 . . . . . 71 . . . 5516 1 649 . 1 1 53 53 ILE HG21 H 1 0.55 0.02 . 1 . . . . . 71 . . . 5516 1 650 . 1 1 53 53 ILE HG22 H 1 0.55 0.02 . 1 . . . . . 71 . . . 5516 1 651 . 1 1 53 53 ILE HG23 H 1 0.55 0.02 . 1 . . . . . 71 . . . 5516 1 652 . 1 1 53 53 ILE HD11 H 1 0.67 0.02 . 1 . . . . . 71 . . . 5516 1 653 . 1 1 53 53 ILE HD12 H 1 0.67 0.02 . 1 . . . . . 71 . . . 5516 1 654 . 1 1 53 53 ILE HD13 H 1 0.67 0.02 . 1 . . . . . 71 . . . 5516 1 655 . 1 1 53 53 ILE C C 13 175.1 0.20 . 1 . . . . . 71 . . . 5516 1 656 . 1 1 53 53 ILE CA C 13 61.4 0.20 . 1 . . . . . 71 . . . 5516 1 657 . 1 1 53 53 ILE CB C 13 39.8 0.20 . 1 . . . . . 71 . . . 5516 1 658 . 1 1 53 53 ILE CG1 C 13 26.6 0.20 . 1 . . . . . 71 . . . 5516 1 659 . 1 1 53 53 ILE CG2 C 13 19.0 0.20 . 1 . . . . . 71 . . . 5516 1 660 . 1 1 53 53 ILE CD1 C 13 13.6 0.20 . 1 . . . . . 71 . . . 5516 1 661 . 1 1 53 53 ILE N N 15 116.2 0.05 . 1 . . . . . 71 . . . 5516 1 662 . 1 1 54 54 ILE H H 1 7.41 0.02 . 1 . . . . . 72 . . . 5516 1 663 . 1 1 54 54 ILE HA H 1 5.00 0.02 . 1 . . . . . 72 . . . 5516 1 664 . 1 1 54 54 ILE HB H 1 1.87 0.02 . 1 . . . . . 72 . . . 5516 1 665 . 1 1 54 54 ILE HG12 H 1 1.13 0.02 . 1 . . . . . 72 . . . 5516 1 666 . 1 1 54 54 ILE HG13 H 1 1.13 0.02 . 1 . . . . . 72 . . . 5516 1 667 . 1 1 54 54 ILE HG21 H 1 0.57 0.02 . 1 . . . . . 72 . . . 5516 1 668 . 1 1 54 54 ILE HG22 H 1 0.57 0.02 . 1 . . . . . 72 . . . 5516 1 669 . 1 1 54 54 ILE HG23 H 1 0.57 0.02 . 1 . . . . . 72 . . . 5516 1 670 . 1 1 54 54 ILE HD11 H 1 0.35 0.02 . 1 . . . . . 72 . . . 5516 1 671 . 1 1 54 54 ILE HD12 H 1 0.35 0.02 . 1 . . . . . 72 . . . 5516 1 672 . 1 1 54 54 ILE HD13 H 1 0.35 0.02 . 1 . . . . . 72 . . . 5516 1 673 . 1 1 54 54 ILE C C 13 171.0 0.20 . 1 . . . . . 72 . . . 5516 1 674 . 1 1 54 54 ILE CA C 13 62.0 0.20 . 1 . . . . . 72 . . . 5516 1 675 . 1 1 54 54 ILE CB C 13 39.8 0.20 . 1 . . . . . 72 . . . 5516 1 676 . 1 1 54 54 ILE CG1 C 13 25.4 0.20 . 1 . . . . . 72 . . . 5516 1 677 . 1 1 54 54 ILE CG2 C 13 19.6 0.20 . 1 . . . . . 72 . . . 5516 1 678 . 1 1 54 54 ILE CD1 C 13 14.6 0.20 . 1 . . . . . 72 . . . 5516 1 679 . 1 1 54 54 ILE N N 15 119.3 0.05 . 1 . . . . . 72 . . . 5516 1 680 . 1 1 55 55 LEU H H 1 8.87 0.02 . 1 . . . . . 73 . . . 5516 1 681 . 1 1 55 55 LEU HA H 1 5.66 0.02 . 1 . . . . . 73 . . . 5516 1 682 . 1 1 55 55 LEU HB2 H 1 2.22 0.02 . 2 . . . . . 73 . . . 5516 1 683 . 1 1 55 55 LEU HB3 H 1 1.68 0.02 . 2 . . . . . 73 . . . 5516 1 684 . 1 1 55 55 LEU HG H 1 1.61 0.02 . 1 . . . . . 73 . . . 5516 1 685 . 1 1 55 55 LEU HD11 H 1 1.01 0.02 . 1 . . . . . 73 . . . 5516 1 686 . 1 1 55 55 LEU HD12 H 1 1.01 0.02 . 1 . . . . . 73 . . . 5516 1 687 . 1 1 55 55 LEU HD13 H 1 1.01 0.02 . 1 . . . . . 73 . . . 5516 1 688 . 1 1 55 55 LEU HD21 H 1 1.01 0.02 . 1 . . . . . 73 . . . 5516 1 689 . 1 1 55 55 LEU HD22 H 1 1.01 0.02 . 1 . . . . . 73 . . . 5516 1 690 . 1 1 55 55 LEU HD23 H 1 1.01 0.02 . 1 . . . . . 73 . . . 5516 1 691 . 1 1 55 55 LEU C C 13 174.4 0.20 . 1 . . . . . 73 . . . 5516 1 692 . 1 1 55 55 LEU CA C 13 54.5 0.20 . 1 . . . . . 73 . . . 5516 1 693 . 1 1 55 55 LEU CB C 13 47.5 0.20 . 1 . . . . . 73 . . . 5516 1 694 . 1 1 55 55 LEU CG C 13 30.7 0.20 . 1 . . . . . 73 . . . 5516 1 695 . 1 1 55 55 LEU CD1 C 13 26.4 0.20 . 1 . . . . . 73 . . . 5516 1 696 . 1 1 55 55 LEU CD2 C 13 26.4 0.20 . 1 . . . . . 73 . . . 5516 1 697 . 1 1 55 55 LEU N N 15 127.5 0.20 . 1 . . . . . 73 . . . 5516 1 698 . 1 1 56 56 TYR H H 1 9.98 0.02 . 1 . . . . . 74 . . . 5516 1 699 . 1 1 56 56 TYR HA H 1 5.85 0.02 . 1 . . . . . 74 . . . 5516 1 700 . 1 1 56 56 TYR HB2 H 1 2.93 0.02 . 2 . . . . . 74 . . . 5516 1 701 . 1 1 56 56 TYR HB3 H 1 2.82 0.02 . 2 . . . . . 74 . . . 5516 1 702 . 1 1 56 56 TYR HD1 H 1 6.78 0.02 . 1 . . . . . 74 . . . 5516 1 703 . 1 1 56 56 TYR HD2 H 1 6.78 0.02 . 1 . . . . . 74 . . . 5516 1 704 . 1 1 56 56 TYR HE1 H 1 6.56 0.02 . 1 . . . . . 74 . . . 5516 1 705 . 1 1 56 56 TYR HE2 H 1 6.56 0.02 . 1 . . . . . 74 . . . 5516 1 706 . 1 1 56 56 TYR C C 13 174.6 0.20 . 1 . . . . . 74 . . . 5516 1 707 . 1 1 56 56 TYR CA C 13 56.2 0.20 . 1 . . . . . 74 . . . 5516 1 708 . 1 1 56 56 TYR CB C 13 42.0 0.20 . 1 . . . . . 74 . . . 5516 1 709 . 1 1 56 56 TYR CD1 C 13 133.6 0.20 . 1 . . . . . 74 . . . 5516 1 710 . 1 1 56 56 TYR CD2 C 13 133.6 0.20 . 1 . . . . . 74 . . . 5516 1 711 . 1 1 56 56 TYR CE1 C 13 118.0 0.20 . 1 . . . . . 74 . . . 5516 1 712 . 1 1 56 56 TYR CE2 C 13 118.0 0.20 . 1 . . . . . 74 . . . 5516 1 713 . 1 1 56 56 TYR N N 15 127.2 0.05 . 1 . . . . . 74 . . . 5516 1 714 . 1 1 57 57 SER H H 1 8.59 0.02 . 1 . . . . . 75 . . . 5516 1 715 . 1 1 57 57 SER HA H 1 4.75 0.02 . 1 . . . . . 75 . . . 5516 1 716 . 1 1 57 57 SER HB2 H 1 3.90 0.02 . 2 . . . . . 75 . . . 5516 1 717 . 1 1 57 57 SER HB3 H 1 3.50 0.02 . 2 . . . . . 75 . . . 5516 1 718 . 1 1 57 57 SER C C 13 177.8 0.20 . 1 . . . . . 75 . . . 5516 1 719 . 1 1 57 57 SER CA C 13 57.0 0.20 . 1 . . . . . 75 . . . 5516 1 720 . 1 1 57 57 SER CB C 13 64.5 0.20 . 1 . . . . . 75 . . . 5516 1 721 . 1 1 57 57 SER N N 15 119.0 0.05 . 1 . . . . . 75 . . . 5516 1 722 . 1 1 58 58 GLY H H 1 9.44 0.02 . 1 . . . . . 76 . . . 5516 1 723 . 1 1 58 58 GLY HA2 H 1 3.75 0.02 . 1 . . . . . 76 . . . 5516 1 724 . 1 1 58 58 GLY HA3 H 1 3.75 0.02 . 1 . . . . . 76 . . . 5516 1 725 . 1 1 58 58 GLY C C 13 174.6 0.20 . 1 . . . . . 76 . . . 5516 1 726 . 1 1 58 58 GLY CA C 13 47.7 0.02 . 1 . . . . . 76 . . . 5516 1 727 . 1 1 58 58 GLY N N 15 120.7 0.05 . 1 . . . . . 76 . . . 5516 1 728 . 1 1 59 59 ASP H H 1 8.09 0.02 . 1 . . . . . 77 . . . 5516 1 729 . 1 1 59 59 ASP HA H 1 4.10 0.02 . 1 . . . . . 77 . . . 5516 1 730 . 1 1 59 59 ASP HB2 H 1 3.04 0.02 . 2 . . . . . 77 . . . 5516 1 731 . 1 1 59 59 ASP HB3 H 1 2.85 0.02 . 2 . . . . . 77 . . . 5516 1 732 . 1 1 59 59 ASP C C 13 173.7 0.20 . 1 . . . . . 77 . . . 5516 1 733 . 1 1 59 59 ASP CA C 13 54.8 0.20 . 1 . . . . . 77 . . . 5516 1 734 . 1 1 59 59 ASP CB C 13 39.4 0.20 . 1 . . . . . 77 . . . 5516 1 735 . 1 1 59 59 ASP N N 15 111.6 0.05 . 1 . . . . . 77 . . . 5516 1 736 . 1 1 60 60 LYS H H 1 7.28 0.02 . 1 . . . . . 78 . . . 5516 1 737 . 1 1 60 60 LYS HA H 1 4.56 0.02 . 1 . . . . . 78 . . . 5516 1 738 . 1 1 60 60 LYS HB2 H 1 1.62 0.02 . 2 . . . . . 78 . . . 5516 1 739 . 1 1 60 60 LYS HB3 H 1 1.47 0.02 . 2 . . . . . 78 . . . 5516 1 740 . 1 1 60 60 LYS HG2 H 1 1.34 0.02 . 2 . . . . . 78 . . . 5516 1 741 . 1 1 60 60 LYS HG3 H 1 1.12 0.02 . 2 . . . . . 78 . . . 5516 1 742 . 1 1 60 60 LYS HD2 H 1 1.60 0.02 . 2 . . . . . 78 . . . 5516 1 743 . 1 1 60 60 LYS HD3 H 1 1.56 0.02 . 2 . . . . . 78 . . . 5516 1 744 . 1 1 60 60 LYS HE2 H 1 2.92 0.02 . 1 . . . . . 78 . . . 5516 1 745 . 1 1 60 60 LYS HE3 H 1 2.92 0.02 . 1 . . . . . 78 . . . 5516 1 746 . 1 1 60 60 LYS C C 13 173.2 0.20 . 1 . . . . . 78 . . . 5516 1 747 . 1 1 60 60 LYS CA C 13 55.2 0.20 . 1 . . . . . 78 . . . 5516 1 748 . 1 1 60 60 LYS CB C 13 36.5 0.20 . 1 . . . . . 78 . . . 5516 1 749 . 1 1 60 60 LYS CG C 13 25.0 0.20 . 1 . . . . . 78 . . . 5516 1 750 . 1 1 60 60 LYS CD C 13 29.2 0.20 . 1 . . . . . 78 . . . 5516 1 751 . 1 1 60 60 LYS CE C 13 42.3 0.20 . 1 . . . . . 78 . . . 5516 1 752 . 1 1 60 60 LYS N N 15 119.7 0.05 . 1 . . . . . 78 . . . 5516 1 753 . 1 1 61 61 ILE H H 1 8.06 0.02 . 1 . . . . . 79 . . . 5516 1 754 . 1 1 61 61 ILE HA H 1 5.00 0.02 . 1 . . . . . 79 . . . 5516 1 755 . 1 1 61 61 ILE HB H 1 1.75 0.02 . 1 . . . . . 79 . . . 5516 1 756 . 1 1 61 61 ILE HG21 H 1 1.18 0.02 . 1 . . . . . 79 . . . 5516 1 757 . 1 1 61 61 ILE HG22 H 1 1.18 0.02 . 1 . . . . . 79 . . . 5516 1 758 . 1 1 61 61 ILE HG23 H 1 1.18 0.02 . 1 . . . . . 79 . . . 5516 1 759 . 1 1 61 61 ILE HD11 H 1 1.23 0.02 . 1 . . . . . 79 . . . 5516 1 760 . 1 1 61 61 ILE HD12 H 1 1.23 0.02 . 1 . . . . . 79 . . . 5516 1 761 . 1 1 61 61 ILE HD13 H 1 1.23 0.02 . 1 . . . . . 79 . . . 5516 1 762 . 1 1 61 61 ILE C C 13 175.8 0.20 . 1 . . . . . 79 . . . 5516 1 763 . 1 1 61 61 ILE CA C 13 61.0 0.20 . 1 . . . . . 79 . . . 5516 1 764 . 1 1 61 61 ILE CB C 13 40.0 0.20 . 1 . . . . . 79 . . . 5516 1 765 . 1 1 61 61 ILE CG2 C 13 17.8 0.20 . 1 . . . . . 79 . . . 5516 1 766 . 1 1 61 61 ILE CD1 C 13 14.6 0.20 . 1 . . . . . 79 . . . 5516 1 767 . 1 1 61 61 ILE N N 15 120.7 0.05 . 1 . . . . . 79 . . . 5516 1 768 . 1 1 62 62 TYR H H 1 9.74 0.02 . 1 . . . . . 80 . . . 5516 1 769 . 1 1 62 62 TYR HA H 1 4.75 0.02 . 1 . . . . . 80 . . . 5516 1 770 . 1 1 62 62 TYR HB2 H 1 3.25 0.02 . 2 . . . . . 80 . . . 5516 1 771 . 1 1 62 62 TYR HB3 H 1 3.15 0.02 . 2 . . . . . 80 . . . 5516 1 772 . 1 1 62 62 TYR HD1 H 1 7.12 0.02 . 1 . . . . . 80 . . . 5516 1 773 . 1 1 62 62 TYR HD2 H 1 7.12 0.02 . 1 . . . . . 80 . . . 5516 1 774 . 1 1 62 62 TYR HE1 H 1 6.80 0.02 . 1 . . . . . 80 . . . 5516 1 775 . 1 1 62 62 TYR HE2 H 1 6.80 0.02 . 1 . . . . . 80 . . . 5516 1 776 . 1 1 62 62 TYR C C 13 175.1 0.20 . 1 . . . . . 80 . . . 5516 1 777 . 1 1 62 62 TYR CA C 13 57.3 0.20 . 1 . . . . . 80 . . . 5516 1 778 . 1 1 62 62 TYR CB C 13 40.3 0.20 . 1 . . . . . 80 . . . 5516 1 779 . 1 1 62 62 TYR CD1 C 13 134.3 0.20 . 1 . . . . . 80 . . . 5516 1 780 . 1 1 62 62 TYR CD2 C 13 134.3 0.20 . 1 . . . . . 80 . . . 5516 1 781 . 1 1 62 62 TYR CE1 C 13 117.7 0.20 . 1 . . . . . 80 . . . 5516 1 782 . 1 1 62 62 TYR CE2 C 13 117.7 0.20 . 1 . . . . . 80 . . . 5516 1 783 . 1 1 62 62 TYR N N 15 128.7 0.05 . 1 . . . . . 80 . . . 5516 1 784 . 1 1 63 63 ASP H H 1 8.54 0.02 . 1 . . . . . 81 . . . 5516 1 785 . 1 1 63 63 ASP HA H 1 5.08 0.02 . 1 . . . . . 81 . . . 5516 1 786 . 1 1 63 63 ASP HB2 H 1 3.15 0.02 . 2 . . . . . 81 . . . 5516 1 787 . 1 1 63 63 ASP HB3 H 1 2.81 0.02 . 2 . . . . . 81 . . . 5516 1 788 . 1 1 63 63 ASP C C 13 175.3 0.20 . 1 . . . . . 81 . . . 5516 1 789 . 1 1 63 63 ASP CA C 13 52.5 0.20 . 1 . . . . . 81 . . . 5516 1 790 . 1 1 63 63 ASP CB C 13 40.5 0.20 . 1 . . . . . 81 . . . 5516 1 791 . 1 1 63 63 ASP N N 15 121.2 0.05 . 1 . . . . . 81 . . . 5516 1 792 . 1 1 64 64 ASP H H 1 8.27 0.02 . 1 . . . . . 82 . . . 5516 1 793 . 1 1 64 64 ASP HA H 1 4.93 0.02 . 1 . . . . . 82 . . . 5516 1 794 . 1 1 64 64 ASP HB2 H 1 2.78 0.02 . 2 . . . . . 82 . . . 5516 1 795 . 1 1 64 64 ASP HB3 H 1 2.65 0.02 . 2 . . . . . 82 . . . 5516 1 796 . 1 1 64 64 ASP C C 13 175.2 0.20 . 1 . . . . . 82 . . . 5516 1 797 . 1 1 64 64 ASP CA C 13 53.2 0.20 . 1 . . . . . 82 . . . 5516 1 798 . 1 1 64 64 ASP CB C 13 39.0 0.20 . 1 . . . . . 82 . . . 5516 1 799 . 1 1 64 64 ASP N N 15 118.6 0.05 . 1 . . . . . 82 . . . 5516 1 800 . 1 1 65 65 TYR H H 1 7.69 0.02 . 1 . . . . . 83 . . . 5516 1 801 . 1 1 65 65 TYR HA H 1 4.40 0.02 . 1 . . . . . 83 . . . 5516 1 802 . 1 1 65 65 TYR HB2 H 1 3.20 0.02 . 2 . . . . . 83 . . . 5516 1 803 . 1 1 65 65 TYR HB3 H 1 2.60 0.02 . 2 . . . . . 83 . . . 5516 1 804 . 1 1 65 65 TYR HD1 H 1 6.88 0.02 . 1 . . . . . 83 . . . 5516 1 805 . 1 1 65 65 TYR HD2 H 1 6.88 0.02 . 1 . . . . . 83 . . . 5516 1 806 . 1 1 65 65 TYR HE1 H 1 6.72 0.02 . 1 . . . . . 83 . . . 5516 1 807 . 1 1 65 65 TYR HE2 H 1 6.72 0.02 . 1 . . . . . 83 . . . 5516 1 808 . 1 1 65 65 TYR C C 13 176.1 0.20 . 1 . . . . . 83 . . . 5516 1 809 . 1 1 65 65 TYR CA C 13 59.5 0.20 . 1 . . . . . 83 . . . 5516 1 810 . 1 1 65 65 TYR CB C 13 41.5 0.20 . 1 . . . . . 83 . . . 5516 1 811 . 1 1 65 65 TYR CD1 C 13 132.6 0.20 . 1 . . . . . 83 . . . 5516 1 812 . 1 1 65 65 TYR CD2 C 13 132.6 0.20 . 1 . . . . . 83 . . . 5516 1 813 . 1 1 65 65 TYR CE1 C 13 118.7 0.20 . 1 . . . . . 83 . . . 5516 1 814 . 1 1 65 65 TYR CE2 C 13 118.7 0.20 . 1 . . . . . 83 . . . 5516 1 815 . 1 1 65 65 TYR N N 15 118.0 0.05 . 1 . . . . . 83 . . . 5516 1 816 . 1 1 66 66 TYR H H 1 8.88 0.02 . 1 . . . . . 84 . . . 5516 1 817 . 1 1 66 66 TYR HA H 1 5.15 0.02 . 1 . . . . . 84 . . . 5516 1 818 . 1 1 66 66 TYR HB2 H 1 3.31 0.02 . 2 . . . . . 84 . . . 5516 1 819 . 1 1 66 66 TYR HB3 H 1 2.96 0.02 . 2 . . . . . 84 . . . 5516 1 820 . 1 1 66 66 TYR HD1 H 1 7.02 0.02 . 1 . . . . . 84 . . . 5516 1 821 . 1 1 66 66 TYR HD2 H 1 7.02 0.02 . 1 . . . . . 84 . . . 5516 1 822 . 1 1 66 66 TYR HE1 H 1 6.82 0.02 . 1 . . . . . 84 . . . 5516 1 823 . 1 1 66 66 TYR HE2 H 1 6.82 0.02 . 1 . . . . . 84 . . . 5516 1 824 . 1 1 66 66 TYR CA C 13 55.5 0.20 . 1 . . . . . 84 . . . 5516 1 825 . 1 1 66 66 TYR CB C 13 40.0 0.20 . 1 . . . . . 84 . . . 5516 1 826 . 1 1 66 66 TYR CD1 C 13 133.2 0.20 . 1 . . . . . 84 . . . 5516 1 827 . 1 1 66 66 TYR CD2 C 13 133.2 0.20 . 1 . . . . . 84 . . . 5516 1 828 . 1 1 66 66 TYR CE1 C 13 117.7 0.20 . 1 . . . . . 84 . . . 5516 1 829 . 1 1 66 66 TYR CE2 C 13 117.7 0.20 . 1 . . . . . 84 . . . 5516 1 830 . 1 1 66 66 TYR N N 15 122.7 0.05 . 1 . . . . . 84 . . . 5516 1 831 . 1 1 67 67 PRO HA H 1 4.08 0.02 . 1 . . . . . 85 . . . 5516 1 832 . 1 1 67 67 PRO HB2 H 1 2.31 0.02 . 2 . . . . . 85 . . . 5516 1 833 . 1 1 67 67 PRO HB3 H 1 1.92 0.02 . 2 . . . . . 85 . . . 5516 1 834 . 1 1 67 67 PRO HG2 H 1 2.01 0.02 . 2 . . . . . 85 . . . 5516 1 835 . 1 1 67 67 PRO HG3 H 1 1.84 0.02 . 2 . . . . . 85 . . . 5516 1 836 . 1 1 67 67 PRO HD2 H 1 3.62 0.02 . 1 . . . . . 85 . . . 5516 1 837 . 1 1 67 67 PRO HD3 H 1 3.62 0.02 . 1 . . . . . 85 . . . 5516 1 838 . 1 1 67 67 PRO C C 13 178.6 0.20 . 1 . . . . . 85 . . . 5516 1 839 . 1 1 67 67 PRO CA C 13 66.0 0.20 . 1 . . . . . 85 . . . 5516 1 840 . 1 1 67 67 PRO CB C 13 32.0 0.20 . 1 . . . . . 85 . . . 5516 1 841 . 1 1 67 67 PRO CG C 13 26.2 0.20 . 1 . . . . . 85 . . . 5516 1 842 . 1 1 67 67 PRO CD C 13 51.2 0.20 . 1 . . . . . 85 . . . 5516 1 843 . 1 1 68 68 ASP H H 1 8.08 0.02 . 1 . . . . . 86 . . . 5516 1 844 . 1 1 68 68 ASP HA H 1 4.30 0.02 . 1 . . . . . 86 . . . 5516 1 845 . 1 1 68 68 ASP HB2 H 1 2.74 0.02 . 2 . . . . . 86 . . . 5516 1 846 . 1 1 68 68 ASP HB3 H 1 2.32 0.02 . 2 . . . . . 86 . . . 5516 1 847 . 1 1 68 68 ASP C C 13 176.6 0.20 . 1 . . . . . 86 . . . 5516 1 848 . 1 1 68 68 ASP CA C 13 56.0 0.20 . 1 . . . . . 86 . . . 5516 1 849 . 1 1 68 68 ASP CB C 13 39.0 0.20 . 1 . . . . . 86 . . . 5516 1 850 . 1 1 68 68 ASP N N 15 115.5 0.05 . 1 . . . . . 86 . . . 5516 1 851 . 1 1 69 69 LEU H H 1 7.87 0.02 . 1 . . . . . 87 . . . 5516 1 852 . 1 1 69 69 LEU HA H 1 4.40 0.02 . 1 . . . . . 87 . . . 5516 1 853 . 1 1 69 69 LEU HB2 H 1 1.63 0.02 . 1 . . . . . 87 . . . 5516 1 854 . 1 1 69 69 LEU HB3 H 1 1.63 0.02 . 1 . . . . . 87 . . . 5516 1 855 . 1 1 69 69 LEU HG H 1 0.94 0.02 . 1 . . . . . 87 . . . 5516 1 856 . 1 1 69 69 LEU HD11 H 1 0.90 0.02 . 2 . . . . . 87 . . . 5516 1 857 . 1 1 69 69 LEU HD12 H 1 0.90 0.02 . 2 . . . . . 87 . . . 5516 1 858 . 1 1 69 69 LEU HD13 H 1 0.90 0.02 . 2 . . . . . 87 . . . 5516 1 859 . 1 1 69 69 LEU HD21 H 1 0.84 0.02 . 2 . . . . . 87 . . . 5516 1 860 . 1 1 69 69 LEU HD22 H 1 0.84 0.02 . 2 . . . . . 87 . . . 5516 1 861 . 1 1 69 69 LEU HD23 H 1 0.84 0.02 . 2 . . . . . 87 . . . 5516 1 862 . 1 1 69 69 LEU C C 13 176.4 0.20 . 1 . . . . . 87 . . . 5516 1 863 . 1 1 69 69 LEU CA C 13 54.3 0.20 . 1 . . . . . 87 . . . 5516 1 864 . 1 1 69 69 LEU CB C 13 44.0 0.20 . 1 . . . . . 87 . . . 5516 1 865 . 1 1 69 69 LEU CG C 13 26.8 0.20 . 1 . . . . . 87 . . . 5516 1 866 . 1 1 69 69 LEU CD1 C 13 24.4 0.20 . 1 . . . . . 87 . . . 5516 1 867 . 1 1 69 69 LEU CD2 C 13 24.4 0.20 . 1 . . . . . 87 . . . 5516 1 868 . 1 1 69 69 LEU N N 15 115.5 0.05 . 1 . . . . . 87 . . . 5516 1 869 . 1 1 70 70 LYS H H 1 7.41 0.02 . 1 . . . . . 88 . . . 5516 1 870 . 1 1 70 70 LYS HA H 1 4.17 0.02 . 1 . . . . . 88 . . . 5516 1 871 . 1 1 70 70 LYS HB2 H 1 1.93 0.02 . 2 . . . . . 88 . . . 5516 1 872 . 1 1 70 70 LYS HB3 H 1 1.78 0.02 . 2 . . . . . 88 . . . 5516 1 873 . 1 1 70 70 LYS HG2 H 1 1.45 0.02 . 2 . . . . . 88 . . . 5516 1 874 . 1 1 70 70 LYS HG3 H 1 1.34 0.02 . 2 . . . . . 88 . . . 5516 1 875 . 1 1 70 70 LYS HD2 H 1 1.69 0.02 . 1 . . . . . 88 . . . 5516 1 876 . 1 1 70 70 LYS HD3 H 1 1.69 0.02 . 1 . . . . . 88 . . . 5516 1 877 . 1 1 70 70 LYS HE2 H 1 2.95 0.02 . 1 . . . . . 88 . . . 5516 1 878 . 1 1 70 70 LYS HE3 H 1 2.95 0.02 . 1 . . . . . 88 . . . 5516 1 879 . 1 1 70 70 LYS C C 13 178.2 0.20 . 1 . . . . . 88 . . . 5516 1 880 . 1 1 70 70 LYS CA C 13 59.0 0.20 . 1 . . . . . 88 . . . 5516 1 881 . 1 1 70 70 LYS CB C 13 32.5 0.20 . 1 . . . . . 88 . . . 5516 1 882 . 1 1 70 70 LYS CG C 13 24.4 0.20 . 1 . . . . . 88 . . . 5516 1 883 . 1 1 70 70 LYS CD C 13 29.4 0.20 . 1 . . . . . 88 . . . 5516 1 884 . 1 1 70 70 LYS CE C 13 42.0 0.20 . 1 . . . . . 88 . . . 5516 1 885 . 1 1 70 70 LYS N N 15 122.8 0.05 . 1 . . . . . 88 . . . 5516 1 886 . 1 1 71 71 GLY H H 1 8.95 0.02 . 1 . . . . . 89 . . . 5516 1 887 . 1 1 71 71 GLY HA2 H 1 4.20 0.02 . 2 . . . . . 89 . . . 5516 1 888 . 1 1 71 71 GLY HA3 H 1 3.82 0.02 . 2 . . . . . 89 . . . 5516 1 889 . 1 1 71 71 GLY C C 13 175.3 0.20 . 1 . . . . . 89 . . . 5516 1 890 . 1 1 71 71 GLY CA C 13 46.0 0.20 . 1 . . . . . 89 . . . 5516 1 891 . 1 1 71 71 GLY N N 15 116.1 0.05 . 1 . . . . . 89 . . . 5516 1 892 . 1 1 72 72 ARG H H 1 8.31 0.02 . 1 . . . . . 90 . . . 5516 1 893 . 1 1 72 72 ARG HA H 1 4.63 0.02 . 1 . . . . . 90 . . . 5516 1 894 . 1 1 72 72 ARG HB2 H 1 2.30 0.02 . 2 . . . . . 90 . . . 5516 1 895 . 1 1 72 72 ARG HB3 H 1 1.52 0.02 . 2 . . . . . 90 . . . 5516 1 896 . 1 1 72 72 ARG HG2 H 1 1.70 0.02 . 2 . . . . . 90 . . . 5516 1 897 . 1 1 72 72 ARG HG3 H 1 0.72 0.02 . 2 . . . . . 90 . . . 5516 1 898 . 1 1 72 72 ARG HD2 H 1 3.06 0.02 . 2 . . . . . 90 . . . 5516 1 899 . 1 1 72 72 ARG HD3 H 1 2.89 0.02 . 2 . . . . . 90 . . . 5516 1 900 . 1 1 72 72 ARG HE H 1 6.65 0.02 . 1 . . . . . 90 . . . 5516 1 901 . 1 1 72 72 ARG C C 13 174.2 0.20 . 1 . . . . . 90 . . . 5516 1 902 . 1 1 72 72 ARG CA C 13 56.5 0.20 . 1 . . . . . 90 . . . 5516 1 903 . 1 1 72 72 ARG CB C 13 31.0 0.20 . 1 . . . . . 90 . . . 5516 1 904 . 1 1 72 72 ARG CG C 13 29.2 0.20 . 1 . . . . . 90 . . . 5516 1 905 . 1 1 72 72 ARG CD C 13 42.7 0.20 . 1 . . . . . 90 . . . 5516 1 906 . 1 1 72 72 ARG N N 15 117.8 0.05 . 1 . . . . . 90 . . . 5516 1 907 . 1 1 72 72 ARG NE N 15 81.3 0.05 . 1 . . . . . 90 . . . 5516 1 908 . 1 1 73 73 VAL H H 1 7.29 0.02 . 1 . . . . . 91 . . . 5516 1 909 . 1 1 73 73 VAL HA H 1 5.20 0.02 . 1 . . . . . 91 . . . 5516 1 910 . 1 1 73 73 VAL HB H 1 1.79 0.02 . 1 . . . . . 91 . . . 5516 1 911 . 1 1 73 73 VAL HG11 H 1 0.74 0.02 . 2 . . . . . 91 . . . 5516 1 912 . 1 1 73 73 VAL HG12 H 1 0.74 0.02 . 2 . . . . . 91 . . . 5516 1 913 . 1 1 73 73 VAL HG13 H 1 0.74 0.02 . 2 . . . . . 91 . . . 5516 1 914 . 1 1 73 73 VAL HG21 H 1 0.72 0.02 . 2 . . . . . 91 . . . 5516 1 915 . 1 1 73 73 VAL HG22 H 1 0.72 0.02 . 2 . . . . . 91 . . . 5516 1 916 . 1 1 73 73 VAL HG23 H 1 0.72 0.02 . 2 . . . . . 91 . . . 5516 1 917 . 1 1 73 73 VAL C C 13 174.2 0.20 . 1 . . . . . 91 . . . 5516 1 918 . 1 1 73 73 VAL CA C 13 59.0 0.20 . 1 . . . . . 91 . . . 5516 1 919 . 1 1 73 73 VAL CB C 13 34.5 0.20 . 1 . . . . . 91 . . . 5516 1 920 . 1 1 73 73 VAL CG1 C 13 22.9 0.20 . 2 . . . . . 91 . . . 5516 1 921 . 1 1 73 73 VAL CG2 C 13 20.0 0.20 . 2 . . . . . 91 . . . 5516 1 922 . 1 1 73 73 VAL N N 15 115.3 0.05 . 1 . . . . . 91 . . . 5516 1 923 . 1 1 74 74 HIS H H 1 7.92 0.02 . 1 . . . . . 92 . . . 5516 1 924 . 1 1 74 74 HIS HA H 1 4.70 0.02 . 1 . . . . . 92 . . . 5516 1 925 . 1 1 74 74 HIS HB2 H 1 2.85 0.02 . 1 . . . . . 92 . . . 5516 1 926 . 1 1 74 74 HIS HB3 H 1 2.85 0.02 . 1 . . . . . 92 . . . 5516 1 927 . 1 1 74 74 HIS HD2 H 1 7.06 0.02 . 1 . . . . . 92 . . . 5516 1 928 . 1 1 74 74 HIS HE1 H 1 8.35 0.02 . 1 . . . . . 92 . . . 5516 1 929 . 1 1 74 74 HIS C C 13 174.1 0.20 . 1 . . . . . 92 . . . 5516 1 930 . 1 1 74 74 HIS CA C 13 54.0 0.20 . 1 . . . . . 92 . . . 5516 1 931 . 1 1 74 74 HIS CB C 13 32.0 0.20 . 1 . . . . . 92 . . . 5516 1 932 . 1 1 74 74 HIS CD2 C 13 120.6 0.20 . 1 . . . . . 92 . . . 5516 1 933 . 1 1 74 74 HIS CE1 C 13 135.8 0.20 . 1 . . . . . 92 . . . 5516 1 934 . 1 1 74 74 HIS N N 15 121.4 0.20 . 1 . . . . . 92 . . . 5516 1 935 . 1 1 75 75 PHE H H 1 9.39 0.02 . 1 . . . . . 93 . . . 5516 1 936 . 1 1 75 75 PHE HA H 1 5.13 0.02 . 1 . . . . . 93 . . . 5516 1 937 . 1 1 75 75 PHE HB2 H 1 3.75 0.02 . 2 . . . . . 93 . . . 5516 1 938 . 1 1 75 75 PHE HB3 H 1 2.81 0.02 . 2 . . . . . 93 . . . 5516 1 939 . 1 1 75 75 PHE HD1 H 1 7.43 0.02 . 1 . . . . . 93 . . . 5516 1 940 . 1 1 75 75 PHE HD2 H 1 7.43 0.02 . 1 . . . . . 93 . . . 5516 1 941 . 1 1 75 75 PHE HE1 H 1 7.31 0.02 . 1 . . . . . 93 . . . 5516 1 942 . 1 1 75 75 PHE HE2 H 1 7.31 0.02 . 1 . . . . . 93 . . . 5516 1 943 . 1 1 75 75 PHE HZ H 1 6.98 0.02 . 1 . . . . . 93 . . . 5516 1 944 . 1 1 75 75 PHE C C 13 178.2 0.20 . 1 . . . . . 93 . . . 5516 1 945 . 1 1 75 75 PHE CA C 13 59.6 0.20 . 1 . . . . . 93 . . . 5516 1 946 . 1 1 75 75 PHE CB C 13 38.9 0.20 . 1 . . . . . 93 . . . 5516 1 947 . 1 1 75 75 PHE CD1 C 13 133.6 0.20 . 1 . . . . . 93 . . . 5516 1 948 . 1 1 75 75 PHE CD2 C 13 133.6 0.20 . 1 . . . . . 93 . . . 5516 1 949 . 1 1 75 75 PHE CE1 C 13 130.6 0.20 . 1 . . . . . 93 . . . 5516 1 950 . 1 1 75 75 PHE CE2 C 13 130.6 0.20 . 1 . . . . . 93 . . . 5516 1 951 . 1 1 75 75 PHE CZ C 13 128.3 0.20 . 1 . . . . . 93 . . . 5516 1 952 . 1 1 75 75 PHE N N 15 122.8 0.05 . 1 . . . . . 93 . . . 5516 1 953 . 1 1 76 76 THR H H 1 8.40 0.02 . 1 . . . . . 94 . . . 5516 1 954 . 1 1 76 76 THR HA H 1 4.00 0.02 . 1 . . . . . 94 . . . 5516 1 955 . 1 1 76 76 THR HB H 1 4.00 0.02 . 1 . . . . . 94 . . . 5516 1 956 . 1 1 76 76 THR HG21 H 1 1.06 0.02 . 1 . . . . . 94 . . . 5516 1 957 . 1 1 76 76 THR HG22 H 1 1.06 0.02 . 1 . . . . . 94 . . . 5516 1 958 . 1 1 76 76 THR HG23 H 1 1.06 0.02 . 1 . . . . . 94 . . . 5516 1 959 . 1 1 76 76 THR C C 13 175.8 0.20 . 1 . . . . . 94 . . . 5516 1 960 . 1 1 76 76 THR CA C 13 64.0 0.20 . 1 . . . . . 94 . . . 5516 1 961 . 1 1 76 76 THR CB C 13 68.3 0.20 . 1 . . . . . 94 . . . 5516 1 962 . 1 1 76 76 THR CG2 C 13 23.1 0.20 . 1 . . . . . 94 . . . 5516 1 963 . 1 1 76 76 THR N N 15 116.7 0.05 . 1 . . . . . 94 . . . 5516 1 964 . 1 1 77 77 SER H H 1 9.23 0.02 . 1 . . . . . 95 . . . 5516 1 965 . 1 1 77 77 SER HA H 1 4.40 0.02 . 1 . . . . . 95 . . . 5516 1 966 . 1 1 77 77 SER HB2 H 1 3.86 0.02 . 2 . . . . . 95 . . . 5516 1 967 . 1 1 77 77 SER HB3 H 1 3.66 0.02 . 2 . . . . . 95 . . . 5516 1 968 . 1 1 77 77 SER C C 13 174.7 0.20 . 1 . . . . . 95 . . . 5516 1 969 . 1 1 77 77 SER CA C 13 57.2 0.20 . 1 . . . . . 95 . . . 5516 1 970 . 1 1 77 77 SER CB C 13 64.3 0.20 . 1 . . . . . 95 . . . 5516 1 971 . 1 1 77 77 SER N N 15 118.4 0.05 . 1 . . . . . 95 . . . 5516 1 972 . 1 1 78 78 ASN H H 1 8.48 0.02 . 1 . . . . . 96 . . . 5516 1 973 . 1 1 78 78 ASN HA H 1 4.70 0.02 . 1 . . . . . 96 . . . 5516 1 974 . 1 1 78 78 ASN HB2 H 1 2.84 0.02 . 1 . . . . . 96 . . . 5516 1 975 . 1 1 78 78 ASN HB3 H 1 2.84 0.02 . 1 . . . . . 96 . . . 5516 1 976 . 1 1 78 78 ASN HD21 H 1 7.59 0.02 . 1 . . . . . 96 . . . 5516 1 977 . 1 1 78 78 ASN HD22 H 1 7.59 0.02 . 1 . . . . . 96 . . . 5516 1 978 . 1 1 78 78 ASN C C 13 175.3 0.20 . 1 . . . . . 96 . . . 5516 1 979 . 1 1 78 78 ASN CA C 13 53.5 0.20 . 1 . . . . . 96 . . . 5516 1 980 . 1 1 78 78 ASN CB C 13 38.5 0.20 . 1 . . . . . 96 . . . 5516 1 981 . 1 1 78 78 ASN N N 15 121.9 0.05 . 1 . . . . . 96 . . . 5516 1 982 . 1 1 78 78 ASN ND2 N 15 112.6 0.05 . 1 . . . . . 96 . . . 5516 1 983 . 1 1 79 79 ASP H H 1 8.65 0.02 . 1 . . . . . 97 . . . 5516 1 984 . 1 1 79 79 ASP HA H 1 4.85 0.02 . 1 . . . . . 97 . . . 5516 1 985 . 1 1 79 79 ASP HB2 H 1 2.78 0.02 . 2 . . . . . 97 . . . 5516 1 986 . 1 1 79 79 ASP HB3 H 1 2.50 0.02 . 2 . . . . . 97 . . . 5516 1 987 . 1 1 79 79 ASP C C 13 175.8 0.20 . 1 . . . . . 97 . . . 5516 1 988 . 1 1 79 79 ASP CA C 13 52.5 0.20 . 1 . . . . . 97 . . . 5516 1 989 . 1 1 79 79 ASP CB C 13 39.5 0.20 . 1 . . . . . 97 . . . 5516 1 990 . 1 1 79 79 ASP N N 15 120.7 0.05 . 1 . . . . . 97 . . . 5516 1 991 . 1 1 80 80 LEU H H 1 8.06 0.02 . 1 . . . . . 98 . . . 5516 1 992 . 1 1 80 80 LEU HA H 1 3.90 0.02 . 1 . . . . . 98 . . . 5516 1 993 . 1 1 80 80 LEU HB2 H 1 0.88 0.02 . 1 . . . . . 98 . . . 5516 1 994 . 1 1 80 80 LEU HB3 H 1 0.88 0.02 . 1 . . . . . 98 . . . 5516 1 995 . 1 1 80 80 LEU HG H 1 0.95 0.02 . 1 . . . . . 98 . . . 5516 1 996 . 1 1 80 80 LEU HD11 H 1 0.02 0.02 . 2 . . . . . 98 . . . 5516 1 997 . 1 1 80 80 LEU HD12 H 1 0.02 0.02 . 2 . . . . . 98 . . . 5516 1 998 . 1 1 80 80 LEU HD13 H 1 0.02 0.02 . 2 . . . . . 98 . . . 5516 1 999 . 1 1 80 80 LEU HD21 H 1 -0.16 0.02 . 2 . . . . . 98 . . . 5516 1 1000 . 1 1 80 80 LEU HD22 H 1 -0.16 0.02 . 2 . . . . . 98 . . . 5516 1 1001 . 1 1 80 80 LEU HD23 H 1 -0.16 0.02 . 2 . . . . . 98 . . . 5516 1 1002 . 1 1 80 80 LEU C C 13 178.0 0.20 . 1 . . . . . 98 . . . 5516 1 1003 . 1 1 80 80 LEU CA C 13 57.8 0.20 . 1 . . . . . 98 . . . 5516 1 1004 . 1 1 80 80 LEU CB C 13 41.0 0.20 . 1 . . . . . 98 . . . 5516 1 1005 . 1 1 80 80 LEU CG C 13 27.2 0.20 . 1 . . . . . 98 . . . 5516 1 1006 . 1 1 80 80 LEU CD1 C 13 24.3 0.20 . 2 . . . . . 98 . . . 5516 1 1007 . 1 1 80 80 LEU CD2 C 13 23.9 0.20 . 2 . . . . . 98 . . . 5516 1 1008 . 1 1 80 80 LEU N N 15 127.6 0.05 . 1 . . . . . 98 . . . 5516 1 1009 . 1 1 81 81 LYS H H 1 7.83 0.02 . 1 . . . . . 99 . . . 5516 1 1010 . 1 1 81 81 LYS HA H 1 3.90 0.02 . 1 . . . . . 99 . . . 5516 1 1011 . 1 1 81 81 LYS HB2 H 1 1.86 0.02 . 1 . . . . . 99 . . . 5516 1 1012 . 1 1 81 81 LYS HB3 H 1 1.86 0.02 . 1 . . . . . 99 . . . 5516 1 1013 . 1 1 81 81 LYS HG2 H 1 1.45 0.02 . 1 . . . . . 99 . . . 5516 1 1014 . 1 1 81 81 LYS HG3 H 1 1.45 0.02 . 1 . . . . . 99 . . . 5516 1 1015 . 1 1 81 81 LYS HD2 H 1 1.76 0.02 . 1 . . . . . 99 . . . 5516 1 1016 . 1 1 81 81 LYS HD3 H 1 1.76 0.02 . 1 . . . . . 99 . . . 5516 1 1017 . 1 1 81 81 LYS HE2 H 1 3.05 0.02 . 1 . . . . . 99 . . . 5516 1 1018 . 1 1 81 81 LYS HE3 H 1 3.05 0.02 . 1 . . . . . 99 . . . 5516 1 1019 . 1 1 81 81 LYS C C 13 177.1 0.20 . 1 . . . . . 99 . . . 5516 1 1020 . 1 1 81 81 LYS CA C 13 58.0 0.20 . 1 . . . . . 99 . . . 5516 1 1021 . 1 1 81 81 LYS CB C 13 31.8 0.20 . 1 . . . . . 99 . . . 5516 1 1022 . 1 1 81 81 LYS CG C 13 25.2 0.20 . 1 . . . . . 99 . . . 5516 1 1023 . 1 1 81 81 LYS CD C 13 29.2 0.20 . 1 . . . . . 99 . . . 5516 1 1024 . 1 1 81 81 LYS CE C 13 41.9 0.20 . 1 . . . . . 99 . . . 5516 1 1025 . 1 1 81 81 LYS N N 15 113.4 0.05 . 1 . . . . . 99 . . . 5516 1 1026 . 1 1 82 82 SER H H 1 7.59 0.02 . 1 . . . . . 100 . . . 5516 1 1027 . 1 1 82 82 SER HA H 1 4.28 0.02 . 1 . . . . . 100 . . . 5516 1 1028 . 1 1 82 82 SER HB2 H 1 3.95 0.02 . 2 . . . . . 100 . . . 5516 1 1029 . 1 1 82 82 SER HB3 H 1 3.85 0.02 . 2 . . . . . 100 . . . 5516 1 1030 . 1 1 82 82 SER C C 13 174.8 0.20 . 1 . . . . . 100 . . . 5516 1 1031 . 1 1 82 82 SER CA C 13 59.0 0.20 . 1 . . . . . 100 . . . 5516 1 1032 . 1 1 82 82 SER CB C 13 64.0 0.20 . 1 . . . . . 100 . . . 5516 1 1033 . 1 1 82 82 SER N N 15 112.6 0.05 . 1 . . . . . 100 . . . 5516 1 1034 . 1 1 83 83 GLY H H 1 7.56 0.02 . 1 . . . . . 101 . . . 5516 1 1035 . 1 1 83 83 GLY HA2 H 1 4.30 0.02 . 2 . . . . . 101 . . . 5516 1 1036 . 1 1 83 83 GLY HA3 H 1 2.30 0.02 . 2 . . . . . 101 . . . 5516 1 1037 . 1 1 83 83 GLY C C 13 172.6 0.20 . 1 . . . . . 101 . . . 5516 1 1038 . 1 1 83 83 GLY CA C 13 45.0 0.20 . 1 . . . . . 101 . . . 5516 1 1039 . 1 1 83 83 GLY N N 15 108.3 0.05 . 1 . . . . . 101 . . . 5516 1 1040 . 1 1 84 84 ASP H H 1 7.33 0.02 . 1 . . . . . 102 . . . 5516 1 1041 . 1 1 84 84 ASP HA H 1 4.96 0.02 . 1 . . . . . 102 . . . 5516 1 1042 . 1 1 84 84 ASP HB2 H 1 2.98 0.02 . 2 . . . . . 102 . . . 5516 1 1043 . 1 1 84 84 ASP HB3 H 1 2.29 0.02 . 2 . . . . . 102 . . . 5516 1 1044 . 1 1 84 84 ASP C C 13 174.2 0.20 . 1 . . . . . 102 . . . 5516 1 1045 . 1 1 84 84 ASP CA C 13 53.4 0.20 . 1 . . . . . 102 . . . 5516 1 1046 . 1 1 84 84 ASP CB C 13 40.5 0.20 . 1 . . . . . 102 . . . 5516 1 1047 . 1 1 84 84 ASP N N 15 118.3 0.05 . 1 . . . . . 102 . . . 5516 1 1048 . 1 1 85 85 ALA H H 1 8.72 0.02 . 1 . . . . . 103 . . . 5516 1 1049 . 1 1 85 85 ALA HA H 1 4.65 0.02 . 1 . . . . . 103 . . . 5516 1 1050 . 1 1 85 85 ALA HB1 H 1 1.63 0.02 . 1 . . . . . 103 . . . 5516 1 1051 . 1 1 85 85 ALA HB2 H 1 1.63 0.02 . 1 . . . . . 103 . . . 5516 1 1052 . 1 1 85 85 ALA HB3 H 1 1.63 0.02 . 1 . . . . . 103 . . . 5516 1 1053 . 1 1 85 85 ALA C C 13 174.3 0.20 . 1 . . . . . 103 . . . 5516 1 1054 . 1 1 85 85 ALA CA C 13 51.0 0.20 . 1 . . . . . 103 . . . 5516 1 1055 . 1 1 85 85 ALA CB C 13 20.5 0.20 . 1 . . . . . 103 . . . 5516 1 1056 . 1 1 85 85 ALA N N 15 129.0 0.05 . 1 . . . . . 103 . . . 5516 1 1057 . 1 1 86 86 SER H H 1 8.28 0.02 . 1 . . . . . 104 . . . 5516 1 1058 . 1 1 86 86 SER HA H 1 4.75 0.02 . 1 . . . . . 104 . . . 5516 1 1059 . 1 1 86 86 SER HB2 H 1 3.90 0.02 . 2 . . . . . 104 . . . 5516 1 1060 . 1 1 86 86 SER HB3 H 1 3.75 0.02 . 2 . . . . . 104 . . . 5516 1 1061 . 1 1 86 86 SER C C 13 174.1 0.20 . 1 . . . . . 104 . . . 5516 1 1062 . 1 1 86 86 SER CA C 13 60.8 0.20 . 1 . . . . . 104 . . . 5516 1 1063 . 1 1 86 86 SER CB C 13 63.2 0.20 . 1 . . . . . 104 . . . 5516 1 1064 . 1 1 86 86 SER N N 15 115.8 0.05 . 1 . . . . . 104 . . . 5516 1 1065 . 1 1 87 87 ILE H H 1 7.75 0.02 . 1 . . . . . 105 . . . 5516 1 1066 . 1 1 87 87 ILE HA H 1 5.20 0.02 . 1 . . . . . 105 . . . 5516 1 1067 . 1 1 87 87 ILE HB H 1 1.05 0.02 . 1 . . . . . 105 . . . 5516 1 1068 . 1 1 87 87 ILE HG12 H 1 0.34 0.02 . 2 . . . . . 105 . . . 5516 1 1069 . 1 1 87 87 ILE HG13 H 1 0.05 0.02 . 2 . . . . . 105 . . . 5516 1 1070 . 1 1 87 87 ILE HG21 H 1 -0.03 0.02 . 1 . . . . . 105 . . . 5516 1 1071 . 1 1 87 87 ILE HG22 H 1 -0.03 0.02 . 1 . . . . . 105 . . . 5516 1 1072 . 1 1 87 87 ILE HG23 H 1 -0.03 0.02 . 1 . . . . . 105 . . . 5516 1 1073 . 1 1 87 87 ILE HD11 H 1 -0.67 0.02 . 1 . . . . . 105 . . . 5516 1 1074 . 1 1 87 87 ILE HD12 H 1 -0.67 0.02 . 1 . . . . . 105 . . . 5516 1 1075 . 1 1 87 87 ILE HD13 H 1 -0.67 0.02 . 1 . . . . . 105 . . . 5516 1 1076 . 1 1 87 87 ILE C C 13 174.4 0.20 . 1 . . . . . 105 . . . 5516 1 1077 . 1 1 87 87 ILE CA C 13 58.9 0.20 . 1 . . . . . 105 . . . 5516 1 1078 . 1 1 87 87 ILE CB C 13 42.5 0.20 . 1 . . . . . 105 . . . 5516 1 1079 . 1 1 87 87 ILE CG1 C 13 26.2 0.20 . 1 . . . . . 105 . . . 5516 1 1080 . 1 1 87 87 ILE CG2 C 13 17.0 0.20 . 1 . . . . . 105 . . . 5516 1 1081 . 1 1 87 87 ILE CD1 C 13 12.2 0.20 . 1 . . . . . 105 . . . 5516 1 1082 . 1 1 87 87 ILE N N 15 113.8 0.05 . 1 . . . . . 105 . . . 5516 1 1083 . 1 1 88 88 ASN H H 1 8.49 0.02 . 1 . . . . . 106 . . . 5516 1 1084 . 1 1 88 88 ASN HA H 1 5.62 0.02 . 1 . . . . . 106 . . . 5516 1 1085 . 1 1 88 88 ASN HB2 H 1 2.12 0.02 . 2 . . . . . 106 . . . 5516 1 1086 . 1 1 88 88 ASN HB3 H 1 2.09 0.02 . 2 . . . . . 106 . . . 5516 1 1087 . 1 1 88 88 ASN HD21 H 1 7.01 0.02 . 2 . . . . . 106 . . . 5516 1 1088 . 1 1 88 88 ASN HD22 H 1 6.81 0.02 . 2 . . . . . 106 . . . 5516 1 1089 . 1 1 88 88 ASN C C 13 174.6 0.20 . 1 . . . . . 106 . . . 5516 1 1090 . 1 1 88 88 ASN CA C 13 50.8 0.20 . 1 . . . . . 106 . . . 5516 1 1091 . 1 1 88 88 ASN CB C 13 42.0 0.20 . 1 . . . . . 106 . . . 5516 1 1092 . 1 1 88 88 ASN N N 15 115.9 0.05 . 1 . . . . . 106 . . . 5516 1 1093 . 1 1 88 88 ASN ND2 N 15 109.8 0.05 . 1 . . . . . 106 . . . 5516 1 1094 . 1 1 89 89 VAL H H 1 8.17 0.02 . 1 . . . . . 107 . . . 5516 1 1095 . 1 1 89 89 VAL HA H 1 4.94 0.02 . 1 . . . . . 107 . . . 5516 1 1096 . 1 1 89 89 VAL HB H 1 1.55 0.02 . 1 . . . . . 107 . . . 5516 1 1097 . 1 1 89 89 VAL HG11 H 1 0.66 0.02 . 2 . . . . . 107 . . . 5516 1 1098 . 1 1 89 89 VAL HG12 H 1 0.66 0.02 . 2 . . . . . 107 . . . 5516 1 1099 . 1 1 89 89 VAL HG13 H 1 0.66 0.02 . 2 . . . . . 107 . . . 5516 1 1100 . 1 1 89 89 VAL HG21 H 1 0.43 0.02 . 2 . . . . . 107 . . . 5516 1 1101 . 1 1 89 89 VAL HG22 H 1 0.43 0.02 . 2 . . . . . 107 . . . 5516 1 1102 . 1 1 89 89 VAL HG23 H 1 0.43 0.02 . 2 . . . . . 107 . . . 5516 1 1103 . 1 1 89 89 VAL C C 13 176.0 0.20 . 1 . . . . . 107 . . . 5516 1 1104 . 1 1 89 89 VAL CA C 13 61.0 0.20 . 1 . . . . . 107 . . . 5516 1 1105 . 1 1 89 89 VAL CB C 13 33.8 0.20 . 1 . . . . . 107 . . . 5516 1 1106 . 1 1 89 89 VAL CG1 C 13 22.0 0.20 . 2 . . . . . 107 . . . 5516 1 1107 . 1 1 89 89 VAL CG2 C 13 19.7 0.20 . 2 . . . . . 107 . . . 5516 1 1108 . 1 1 89 89 VAL N N 15 120.2 0.05 . 1 . . . . . 107 . . . 5516 1 1109 . 1 1 90 90 THR H H 1 8.90 0.02 . 1 . . . . . 108 . . . 5516 1 1110 . 1 1 90 90 THR HA H 1 4.58 0.02 . 1 . . . . . 108 . . . 5516 1 1111 . 1 1 90 90 THR HB H 1 4.15 0.02 . 1 . . . . . 108 . . . 5516 1 1112 . 1 1 90 90 THR HG21 H 1 1.17 0.02 . 1 . . . . . 108 . . . 5516 1 1113 . 1 1 90 90 THR HG22 H 1 1.17 0.02 . 1 . . . . . 108 . . . 5516 1 1114 . 1 1 90 90 THR HG23 H 1 1.17 0.02 . 1 . . . . . 108 . . . 5516 1 1115 . 1 1 90 90 THR C C 13 173.1 0.20 . 1 . . . . . 108 . . . 5516 1 1116 . 1 1 90 90 THR CA C 13 60.5 0.20 . 1 . . . . . 108 . . . 5516 1 1117 . 1 1 90 90 THR CB C 13 70.5 0.20 . 1 . . . . . 108 . . . 5516 1 1118 . 1 1 90 90 THR CG2 C 13 22.0 0.20 . 1 . . . . . 108 . . . 5516 1 1119 . 1 1 90 90 THR N N 15 117.0 0.05 . 1 . . . . . 108 . . . 5516 1 1120 . 1 1 91 91 ASN H H 1 8.14 0.02 . 1 . . . . . 109 . . . 5516 1 1121 . 1 1 91 91 ASN HA H 1 3.96 0.02 . 1 . . . . . 109 . . . 5516 1 1122 . 1 1 91 91 ASN HB2 H 1 2.95 0.02 . 2 . . . . . 109 . . . 5516 1 1123 . 1 1 91 91 ASN HB3 H 1 2.42 0.02 . 2 . . . . . 109 . . . 5516 1 1124 . 1 1 91 91 ASN HD21 H 1 7.38 0.02 . 2 . . . . . 109 . . . 5516 1 1125 . 1 1 91 91 ASN HD22 H 1 6.75 0.02 . 2 . . . . . 109 . . . 5516 1 1126 . 1 1 91 91 ASN C C 13 174.3 0.20 . 1 . . . . . 109 . . . 5516 1 1127 . 1 1 91 91 ASN CA C 13 53.0 0.20 . 1 . . . . . 109 . . . 5516 1 1128 . 1 1 91 91 ASN CB C 13 37.8 0.20 . 1 . . . . . 109 . . . 5516 1 1129 . 1 1 91 91 ASN N N 15 116.3 0.05 . 1 . . . . . 109 . . . 5516 1 1130 . 1 1 91 91 ASN ND2 N 15 110.6 0.05 . 1 . . . . . 109 . . . 5516 1 1131 . 1 1 92 92 LEU H H 1 8.28 0.02 . 1 . . . . . 110 . . . 5516 1 1132 . 1 1 92 92 LEU HA H 1 3.94 0.02 . 1 . . . . . 110 . . . 5516 1 1133 . 1 1 92 92 LEU HB2 H 1 1.63 0.02 . 2 . . . . . 110 . . . 5516 1 1134 . 1 1 92 92 LEU HB3 H 1 1.19 0.02 . 2 . . . . . 110 . . . 5516 1 1135 . 1 1 92 92 LEU HG H 1 1.78 0.02 . 2 . . . . . 110 . . . 5516 1 1136 . 1 1 92 92 LEU HD11 H 1 0.72 0.02 . 2 . . . . . 110 . . . 5516 1 1137 . 1 1 92 92 LEU HD12 H 1 0.72 0.02 . 2 . . . . . 110 . . . 5516 1 1138 . 1 1 92 92 LEU HD13 H 1 0.72 0.02 . 2 . . . . . 110 . . . 5516 1 1139 . 1 1 92 92 LEU HD21 H 1 0.60 0.02 . 2 . . . . . 110 . . . 5516 1 1140 . 1 1 92 92 LEU HD22 H 1 0.60 0.02 . 2 . . . . . 110 . . . 5516 1 1141 . 1 1 92 92 LEU HD23 H 1 0.60 0.02 . 2 . . . . . 110 . . . 5516 1 1142 . 1 1 92 92 LEU C C 13 177.8 0.20 . 1 . . . . . 110 . . . 5516 1 1143 . 1 1 92 92 LEU CA C 13 56.5 0.20 . 1 . . . . . 110 . . . 5516 1 1144 . 1 1 92 92 LEU CB C 13 44.0 0.20 . 1 . . . . . 110 . . . 5516 1 1145 . 1 1 92 92 LEU CG C 13 26.5 0.20 . 1 . . . . . 110 . . . 5516 1 1146 . 1 1 92 92 LEU CD1 C 13 27.8 0.20 . 2 . . . . . 110 . . . 5516 1 1147 . 1 1 92 92 LEU CD2 C 13 24.0 0.20 . 2 . . . . . 110 . . . 5516 1 1148 . 1 1 92 92 LEU N N 15 115.2 0.05 . 1 . . . . . 110 . . . 5516 1 1149 . 1 1 93 93 GLN H H 1 9.43 0.02 . 1 . . . . . 111 . . . 5516 1 1150 . 1 1 93 93 GLN HA H 1 4.55 0.02 . 1 . . . . . 111 . . . 5516 1 1151 . 1 1 93 93 GLN HB2 H 1 2.62 0.02 . 2 . . . . . 111 . . . 5516 1 1152 . 1 1 93 93 GLN HB3 H 1 2.41 0.02 . 2 . . . . . 111 . . . 5516 1 1153 . 1 1 93 93 GLN HG2 H 1 2.31 0.02 . 1 . . . . . 111 . . . 5516 1 1154 . 1 1 93 93 GLN HG3 H 1 2.31 0.02 . 1 . . . . . 111 . . . 5516 1 1155 . 1 1 93 93 GLN HE21 H 1 7.28 0.02 . 2 . . . . . 111 . . . 5516 1 1156 . 1 1 93 93 GLN HE22 H 1 6.78 0.02 . 2 . . . . . 111 . . . 5516 1 1157 . 1 1 93 93 GLN C C 13 177.0 0.20 . 1 . . . . . 111 . . . 5516 1 1158 . 1 1 93 93 GLN CA C 13 52.5 0.20 . 1 . . . . . 111 . . . 5516 1 1159 . 1 1 93 93 GLN CB C 13 32.3 0.20 . 1 . . . . . 111 . . . 5516 1 1160 . 1 1 93 93 GLN CG C 13 32.5 0.20 . 1 . . . . . 111 . . . 5516 1 1161 . 1 1 93 93 GLN N N 15 120.5 0.05 . 1 . . . . . 111 . . . 5516 1 1162 . 1 1 93 93 GLN NE2 N 15 114.4 0.05 . 1 . . . . . 111 . . . 5516 1 1163 . 1 1 94 94 LEU H H 1 9.10 0.02 . 1 . . . . . 112 . . . 5516 1 1164 . 1 1 94 94 LEU HA H 1 3.88 0.02 . 1 . . . . . 112 . . . 5516 1 1165 . 1 1 94 94 LEU HB2 H 1 1.67 0.02 . 1 . . . . . 112 . . . 5516 1 1166 . 1 1 94 94 LEU HB3 H 1 1.67 0.02 . 1 . . . . . 112 . . . 5516 1 1167 . 1 1 94 94 LEU HG H 1 1.68 0.02 . 1 . . . . . 112 . . . 5516 1 1168 . 1 1 94 94 LEU HD11 H 1 0.94 0.02 . 2 . . . . . 112 . . . 5516 1 1169 . 1 1 94 94 LEU HD12 H 1 0.94 0.02 . 2 . . . . . 112 . . . 5516 1 1170 . 1 1 94 94 LEU HD13 H 1 0.94 0.02 . 2 . . . . . 112 . . . 5516 1 1171 . 1 1 94 94 LEU HD21 H 1 0.82 0.02 . 2 . . . . . 112 . . . 5516 1 1172 . 1 1 94 94 LEU HD22 H 1 0.82 0.02 . 2 . . . . . 112 . . . 5516 1 1173 . 1 1 94 94 LEU HD23 H 1 0.82 0.02 . 2 . . . . . 112 . . . 5516 1 1174 . 1 1 94 94 LEU C C 13 179.2 0.20 . 1 . . . . . 112 . . . 5516 1 1175 . 1 1 94 94 LEU CA C 13 58.5 0.20 . 1 . . . . . 112 . . . 5516 1 1176 . 1 1 94 94 LEU CB C 13 40.5 0.20 . 1 . . . . . 112 . . . 5516 1 1177 . 1 1 94 94 LEU CG C 13 28.0 0.20 . 1 . . . . . 112 . . . 5516 1 1178 . 1 1 94 94 LEU CD1 C 13 24.9 0.20 . 2 . . . . . 112 . . . 5516 1 1179 . 1 1 94 94 LEU CD2 C 13 23.1 0.20 . 2 . . . . . 112 . . . 5516 1 1180 . 1 1 94 94 LEU N N 15 122.6 0.05 . 1 . . . . . 112 . . . 5516 1 1181 . 1 1 95 95 SER H H 1 7.92 0.02 . 1 . . . . . 113 . . . 5516 1 1182 . 1 1 95 95 SER HA H 1 4.20 0.02 . 1 . . . . . 113 . . . 5516 1 1183 . 1 1 95 95 SER HB2 H 1 3.79 0.02 . 1 . . . . . 113 . . . 5516 1 1184 . 1 1 95 95 SER HB3 H 1 3.79 0.02 . 1 . . . . . 113 . . . 5516 1 1185 . 1 1 95 95 SER C C 13 175.1 0.20 . 1 . . . . . 113 . . . 5516 1 1186 . 1 1 95 95 SER CA C 13 59.8 0.20 . 1 . . . . . 113 . . . 5516 1 1187 . 1 1 95 95 SER CB C 13 62.5 0.20 . 1 . . . . . 113 . . . 5516 1 1188 . 1 1 95 95 SER N N 15 110.7 0.05 . 1 . . . . . 113 . . . 5516 1 1189 . 1 1 96 96 ASP H H 1 7.98 0.02 . 1 . . . . . 114 . . . 5516 1 1190 . 1 1 96 96 ASP HA H 1 4.62 0.02 . 1 . . . . . 114 . . . 5516 1 1191 . 1 1 96 96 ASP HB2 H 1 2.82 0.02 . 2 . . . . . 114 . . . 5516 1 1192 . 1 1 96 96 ASP HB3 H 1 2.71 0.02 . 2 . . . . . 114 . . . 5516 1 1193 . 1 1 96 96 ASP C C 13 176.3 0.20 . 1 . . . . . 114 . . . 5516 1 1194 . 1 1 96 96 ASP CA C 13 55.0 0.20 . 1 . . . . . 114 . . . 5516 1 1195 . 1 1 96 96 ASP CB C 13 41.0 0.20 . 1 . . . . . 114 . . . 5516 1 1196 . 1 1 96 96 ASP N N 15 122.0 0.05 . 1 . . . . . 114 . . . 5516 1 1197 . 1 1 97 97 ILE H H 1 7.14 0.02 . 1 . . . . . 115 . . . 5516 1 1198 . 1 1 97 97 ILE HA H 1 3.98 0.02 . 1 . . . . . 115 . . . 5516 1 1199 . 1 1 97 97 ILE HB H 1 1.93 0.02 . 1 . . . . . 115 . . . 5516 1 1200 . 1 1 97 97 ILE HG12 H 1 2.19 0.02 . 1 . . . . . 115 . . . 5516 1 1201 . 1 1 97 97 ILE HG13 H 1 2.19 0.02 . 1 . . . . . 115 . . . 5516 1 1202 . 1 1 97 97 ILE HG21 H 1 1.23 0.02 . 1 . . . . . 115 . . . 5516 1 1203 . 1 1 97 97 ILE HG22 H 1 1.23 0.02 . 1 . . . . . 115 . . . 5516 1 1204 . 1 1 97 97 ILE HG23 H 1 1.23 0.02 . 1 . . . . . 115 . . . 5516 1 1205 . 1 1 97 97 ILE HD11 H 1 1.30 0.02 . 1 . . . . . 115 . . . 5516 1 1206 . 1 1 97 97 ILE HD12 H 1 1.30 0.02 . 1 . . . . . 115 . . . 5516 1 1207 . 1 1 97 97 ILE HD13 H 1 1.30 0.02 . 1 . . . . . 115 . . . 5516 1 1208 . 1 1 97 97 ILE C C 13 176.7 0.20 . 1 . . . . . 115 . . . 5516 1 1209 . 1 1 97 97 ILE CA C 13 63.3 0.20 . 1 . . . . . 115 . . . 5516 1 1210 . 1 1 97 97 ILE CB C 13 38.8 0.20 . 1 . . . . . 115 . . . 5516 1 1211 . 1 1 97 97 ILE CG1 C 13 31.5 0.20 . 1 . . . . . 115 . . . 5516 1 1212 . 1 1 97 97 ILE CG2 C 13 17.5 0.20 . 1 . . . . . 115 . . . 5516 1 1213 . 1 1 97 97 ILE CD1 C 13 13.5 0.20 . 1 . . . . . 115 . . . 5516 1 1214 . 1 1 97 97 ILE N N 15 118.2 0.05 . 1 . . . . . 115 . . . 5516 1 1215 . 1 1 98 98 GLY H H 1 8.38 0.02 . 1 . . . . . 116 . . . 5516 1 1216 . 1 1 98 98 GLY HA2 H 1 4.28 0.02 . 2 . . . . . 116 . . . 5516 1 1217 . 1 1 98 98 GLY HA3 H 1 4.20 0.02 . 2 . . . . . 116 . . . 5516 1 1218 . 1 1 98 98 GLY C C 13 171.2 0.20 . 1 . . . . . 116 . . . 5516 1 1219 . 1 1 98 98 GLY CA C 13 45.3 0.20 . 1 . . . . . 116 . . . 5516 1 1220 . 1 1 98 98 GLY N N 15 113.1 0.05 . 1 . . . . . 116 . . . 5516 1 1221 . 1 1 99 99 THR H H 1 8.05 0.02 . 1 . . . . . 117 . . . 5516 1 1222 . 1 1 99 99 THR HA H 1 5.16 0.02 . 1 . . . . . 117 . . . 5516 1 1223 . 1 1 99 99 THR HB H 1 3.98 0.02 . 1 . . . . . 117 . . . 5516 1 1224 . 1 1 99 99 THR HG21 H 1 1.05 0.02 . 1 . . . . . 117 . . . 5516 1 1225 . 1 1 99 99 THR HG22 H 1 1.05 0.02 . 1 . . . . . 117 . . . 5516 1 1226 . 1 1 99 99 THR HG23 H 1 1.05 0.02 . 1 . . . . . 117 . . . 5516 1 1227 . 1 1 99 99 THR C C 13 173.2 0.20 . 1 . . . . . 117 . . . 5516 1 1228 . 1 1 99 99 THR CA C 13 62.0 0.20 . 1 . . . . . 117 . . . 5516 1 1229 . 1 1 99 99 THR CB C 13 69.5 0.20 . 1 . . . . . 117 . . . 5516 1 1230 . 1 1 99 99 THR CG2 C 13 21.8 0.20 . 1 . . . . . 117 . . . 5516 1 1231 . 1 1 99 99 THR N N 15 117.1 0.05 . 1 . . . . . 117 . . . 5516 1 1232 . 1 1 100 100 TYR H H 1 10.12 0.02 . 1 . . . . . 118 . . . 5516 1 1233 . 1 1 100 100 TYR HA H 1 5.35 0.02 . 1 . . . . . 118 . . . 5516 1 1234 . 1 1 100 100 TYR HB2 H 1 3.10 0.02 . 2 . . . . . 118 . . . 5516 1 1235 . 1 1 100 100 TYR HB3 H 1 2.97 0.02 . 2 . . . . . 118 . . . 5516 1 1236 . 1 1 100 100 TYR HD1 H 1 6.78 0.02 . 1 . . . . . 118 . . . 5516 1 1237 . 1 1 100 100 TYR HD2 H 1 6.78 0.02 . 1 . . . . . 118 . . . 5516 1 1238 . 1 1 100 100 TYR HE1 H 1 6.42 0.02 . 1 . . . . . 118 . . . 5516 1 1239 . 1 1 100 100 TYR HE2 H 1 6.42 0.02 . 1 . . . . . 118 . . . 5516 1 1240 . 1 1 100 100 TYR C C 13 174.6 0.20 . 1 . . . . . 118 . . . 5516 1 1241 . 1 1 100 100 TYR CA C 13 56.7 0.20 . 1 . . . . . 118 . . . 5516 1 1242 . 1 1 100 100 TYR CB C 13 40.5 0.20 . 1 . . . . . 118 . . . 5516 1 1243 . 1 1 100 100 TYR CD1 C 13 132.2 0.20 . 1 . . . . . 118 . . . 5516 1 1244 . 1 1 100 100 TYR CD2 C 13 132.2 0.20 . 1 . . . . . 118 . . . 5516 1 1245 . 1 1 100 100 TYR CE1 C 13 117.5 0.20 . 1 . . . . . 118 . . . 5516 1 1246 . 1 1 100 100 TYR CE2 C 13 117.5 0.20 . 1 . . . . . 118 . . . 5516 1 1247 . 1 1 100 100 TYR N N 15 131.8 0.05 . 1 . . . . . 118 . . . 5516 1 1248 . 1 1 101 101 GLN H H 1 9.61 0.02 . 1 . . . . . 119 . . . 5516 1 1249 . 1 1 101 101 GLN HA H 1 5.26 0.02 . 1 . . . . . 119 . . . 5516 1 1250 . 1 1 101 101 GLN HB2 H 1 1.94 0.02 . 2 . . . . . 119 . . . 5516 1 1251 . 1 1 101 101 GLN HB3 H 1 1.93 0.02 . 2 . . . . . 119 . . . 5516 1 1252 . 1 1 101 101 GLN HG2 H 1 2.16 0.02 . 2 . . . . . 119 . . . 5516 1 1253 . 1 1 101 101 GLN HG3 H 1 1.88 0.02 . 2 . . . . . 119 . . . 5516 1 1254 . 1 1 101 101 GLN HE21 H 1 7.36 0.02 . 2 . . . . . 119 . . . 5516 1 1255 . 1 1 101 101 GLN HE22 H 1 6.87 0.02 . 2 . . . . . 119 . . . 5516 1 1256 . 1 1 101 101 GLN C C 13 173.6 0.20 . 1 . . . . . 119 . . . 5516 1 1257 . 1 1 101 101 GLN CA C 13 53.5 0.20 . 1 . . . . . 119 . . . 5516 1 1258 . 1 1 101 101 GLN CB C 13 32.5 0.20 . 1 . . . . . 119 . . . 5516 1 1259 . 1 1 101 101 GLN CG C 13 34.0 0.20 . 1 . . . . . 119 . . . 5516 1 1260 . 1 1 101 101 GLN N N 15 122.5 0.05 . 1 . . . . . 119 . . . 5516 1 1261 . 1 1 101 101 GLN NE2 N 15 111.6 0.05 . 1 . . . . . 119 . . . 5516 1 1262 . 1 1 102 102 CYS H H 1 8.59 0.02 . 1 . . . . . 120 . . . 5516 1 1263 . 1 1 102 102 CYS HA H 1 3.42 0.02 . 1 . . . . . 120 . . . 5516 1 1264 . 1 1 102 102 CYS HB2 H 1 1.00 0.02 . 1 . . . . . 120 . . . 5516 1 1265 . 1 1 102 102 CYS HB3 H 1 1.00 0.02 . 1 . . . . . 120 . . . 5516 1 1266 . 1 1 102 102 CYS C C 13 172.9 0.20 . 1 . . . . . 120 . . . 5516 1 1267 . 1 1 102 102 CYS CA C 13 53.3 0.20 . 1 . . . . . 120 . . . 5516 1 1268 . 1 1 102 102 CYS CB C 13 44.3 0.20 . 1 . . . . . 120 . . . 5516 1 1269 . 1 1 102 102 CYS N N 15 126.2 0.05 . 1 . . . . . 120 . . . 5516 1 1270 . 1 1 103 103 LYS H H 1 8.83 0.02 . 1 . . . . . 121 . . . 5516 1 1271 . 1 1 103 103 LYS HA H 1 4.93 0.02 . 1 . . . . . 121 . . . 5516 1 1272 . 1 1 103 103 LYS HB2 H 1 1.60 0.02 . 2 . . . . . 121 . . . 5516 1 1273 . 1 1 103 103 LYS HB3 H 1 1.50 0.02 . 2 . . . . . 121 . . . 5516 1 1274 . 1 1 103 103 LYS HG2 H 1 1.15 0.02 . 1 . . . . . 121 . . . 5516 1 1275 . 1 1 103 103 LYS HG3 H 1 1.15 0.02 . 1 . . . . . 121 . . . 5516 1 1276 . 1 1 103 103 LYS HD2 H 1 1.45 0.02 . 1 . . . . . 121 . . . 5516 1 1277 . 1 1 103 103 LYS HD3 H 1 1.45 0.02 . 1 . . . . . 121 . . . 5516 1 1278 . 1 1 103 103 LYS HE2 H 1 2.72 0.02 . 1 . . . . . 121 . . . 5516 1 1279 . 1 1 103 103 LYS HE3 H 1 2.72 0.02 . 1 . . . . . 121 . . . 5516 1 1280 . 1 1 103 103 LYS C C 13 174.6 0.20 . 1 . . . . . 121 . . . 5516 1 1281 . 1 1 103 103 LYS CA C 13 55.2 0.20 . 1 . . . . . 121 . . . 5516 1 1282 . 1 1 103 103 LYS CB C 13 34.2 0.20 . 1 . . . . . 121 . . . 5516 1 1283 . 1 1 103 103 LYS CG C 13 24.6 0.20 . 1 . . . . . 121 . . . 5516 1 1284 . 1 1 103 103 LYS CD C 13 29.2 0.20 . 1 . . . . . 121 . . . 5516 1 1285 . 1 1 103 103 LYS CE C 13 41.5 0.20 . 1 . . . . . 121 . . . 5516 1 1286 . 1 1 103 103 LYS N N 15 127.2 0.05 . 1 . . . . . 121 . . . 5516 1 1287 . 1 1 104 104 VAL H H 1 8.65 0.02 . 1 . . . . . 122 . . . 5516 1 1288 . 1 1 104 104 VAL HA H 1 4.42 0.02 . 1 . . . . . 122 . . . 5516 1 1289 . 1 1 104 104 VAL HB H 1 1.53 0.02 . 1 . . . . . 122 . . . 5516 1 1290 . 1 1 104 104 VAL HG11 H 1 0.58 0.02 . 2 . . . . . 122 . . . 5516 1 1291 . 1 1 104 104 VAL HG12 H 1 0.58 0.02 . 2 . . . . . 122 . . . 5516 1 1292 . 1 1 104 104 VAL HG13 H 1 0.58 0.02 . 2 . . . . . 122 . . . 5516 1 1293 . 1 1 104 104 VAL HG21 H 1 0.15 0.02 . 2 . . . . . 122 . . . 5516 1 1294 . 1 1 104 104 VAL HG22 H 1 0.15 0.02 . 2 . . . . . 122 . . . 5516 1 1295 . 1 1 104 104 VAL HG23 H 1 0.15 0.02 . 2 . . . . . 122 . . . 5516 1 1296 . 1 1 104 104 VAL C C 13 174.4 0.20 . 1 . . . . . 122 . . . 5516 1 1297 . 1 1 104 104 VAL CA C 13 61.0 0.20 . 1 . . . . . 122 . . . 5516 1 1298 . 1 1 104 104 VAL CB C 13 34.2 0.20 . 1 . . . . . 122 . . . 5516 1 1299 . 1 1 104 104 VAL CG1 C 13 20.5 0.20 . 2 . . . . . 122 . . . 5516 1 1300 . 1 1 104 104 VAL CG2 C 13 20.2 0.20 . 2 . . . . . 122 . . . 5516 1 1301 . 1 1 104 104 VAL N N 15 125.8 0.05 . 1 . . . . . 122 . . . 5516 1 1302 . 1 1 105 105 LYS H H 1 8.86 0.02 . 1 . . . . . 123 . . . 5516 1 1303 . 1 1 105 105 LYS HA H 1 4.72 0.02 . 1 . . . . . 123 . . . 5516 1 1304 . 1 1 105 105 LYS HB2 H 1 1.85 0.02 . 2 . . . . . 123 . . . 5516 1 1305 . 1 1 105 105 LYS HB3 H 1 1.66 0.02 . 2 . . . . . 123 . . . 5516 1 1306 . 1 1 105 105 LYS HG2 H 1 1.38 0.02 . 1 . . . . . 123 . . . 5516 1 1307 . 1 1 105 105 LYS HG3 H 1 1.38 0.02 . 1 . . . . . 123 . . . 5516 1 1308 . 1 1 105 105 LYS HD2 H 1 1.60 0.02 . 1 . . . . . 123 . . . 5516 1 1309 . 1 1 105 105 LYS HD3 H 1 1.60 0.02 . 1 . . . . . 123 . . . 5516 1 1310 . 1 1 105 105 LYS HE2 H 1 3.06 0.02 . 1 . . . . . 123 . . . 5516 1 1311 . 1 1 105 105 LYS HE3 H 1 3.06 0.02 . 1 . . . . . 123 . . . 5516 1 1312 . 1 1 105 105 LYS C C 13 174.0 0.20 . 1 . . . . . 123 . . . 5516 1 1313 . 1 1 105 105 LYS CA C 13 55.0 0.20 . 1 . . . . . 123 . . . 5516 1 1314 . 1 1 105 105 LYS CB C 13 36.0 0.20 . 1 . . . . . 123 . . . 5516 1 1315 . 1 1 105 105 LYS CG C 13 24.8 0.20 . 1 . . . . . 123 . . . 5516 1 1316 . 1 1 105 105 LYS CD C 13 29.6 0.20 . 1 . . . . . 123 . . . 5516 1 1317 . 1 1 105 105 LYS CE C 13 41.8 0.20 . 1 . . . . . 123 . . . 5516 1 1318 . 1 1 105 105 LYS N N 15 127.8 0.05 . 1 . . . . . 123 . . . 5516 1 1319 . 1 1 106 106 LYS H H 1 7.87 0.02 . 1 . . . . . 124 . . . 5516 1 1320 . 1 1 106 106 LYS HA H 1 4.16 0.02 . 1 . . . . . 124 . . . 5516 1 1321 . 1 1 106 106 LYS HB2 H 1 1.82 0.02 . 2 . . . . . 124 . . . 5516 1 1322 . 1 1 106 106 LYS HB3 H 1 1.71 0.02 . 2 . . . . . 124 . . . 5516 1 1323 . 1 1 106 106 LYS HG2 H 1 1.10 0.02 . 2 . . . . . 124 . . . 5516 1 1324 . 1 1 106 106 LYS HG3 H 1 0.95 0.02 . 2 . . . . . 124 . . . 5516 1 1325 . 1 1 106 106 LYS HD2 H 1 1.68 0.02 . 1 . . . . . 124 . . . 5516 1 1326 . 1 1 106 106 LYS HD3 H 1 1.68 0.02 . 1 . . . . . 124 . . . 5516 1 1327 . 1 1 106 106 LYS HE2 H 1 2.96 0.02 . 1 . . . . . 124 . . . 5516 1 1328 . 1 1 106 106 LYS HE3 H 1 2.96 0.02 . 1 . . . . . 124 . . . 5516 1 1329 . 1 1 106 106 LYS C C 13 175.0 0.20 . 1 . . . . . 124 . . . 5516 1 1330 . 1 1 106 106 LYS CA C 13 56.5 0.20 . 1 . . . . . 124 . . . 5516 1 1331 . 1 1 106 106 LYS CB C 13 33.2 0.20 . 1 . . . . . 124 . . . 5516 1 1332 . 1 1 106 106 LYS CG C 13 26.3 0.20 . 1 . . . . . 124 . . . 5516 1 1333 . 1 1 106 106 LYS CD C 13 29.8 0.20 . 1 . . . . . 124 . . . 5516 1 1334 . 1 1 106 106 LYS CE C 13 42.6 0.20 . 1 . . . . . 124 . . . 5516 1 1335 . 1 1 106 106 LYS N N 15 125.5 0.05 . 1 . . . . . 124 . . . 5516 1 1336 . 1 1 107 107 ALA H H 1 8.92 0.02 . 1 . . . . . 125 . . . 5516 1 1337 . 1 1 107 107 ALA HA H 1 4.18 0.02 . 1 . . . . . 125 . . . 5516 1 1338 . 1 1 107 107 ALA HB1 H 1 1.33 0.02 . 1 . . . . . 125 . . . 5516 1 1339 . 1 1 107 107 ALA HB2 H 1 1.33 0.02 . 1 . . . . . 125 . . . 5516 1 1340 . 1 1 107 107 ALA HB3 H 1 1.33 0.02 . 1 . . . . . 125 . . . 5516 1 1341 . 1 1 107 107 ALA CA C 13 52.9 0.20 . 1 . . . . . 125 . . . 5516 1 1342 . 1 1 107 107 ALA CB C 13 18.0 0.20 . 1 . . . . . 125 . . . 5516 1 1343 . 1 1 107 107 ALA N N 15 125.6 0.05 . 1 . . . . . 125 . . . 5516 1 1344 . 1 1 108 108 PRO HA H 1 4.52 0.02 . 1 . . . . . 126 . . . 5516 1 1345 . 1 1 108 108 PRO HB2 H 1 2.30 0.02 . 2 . . . . . 126 . . . 5516 1 1346 . 1 1 108 108 PRO HB3 H 1 2.15 0.02 . 2 . . . . . 126 . . . 5516 1 1347 . 1 1 108 108 PRO HG2 H 1 2.28 0.02 . 2 . . . . . 126 . . . 5516 1 1348 . 1 1 108 108 PRO HG3 H 1 1.75 0.02 . 2 . . . . . 126 . . . 5516 1 1349 . 1 1 108 108 PRO HD2 H 1 3.94 0.02 . 2 . . . . . 126 . . . 5516 1 1350 . 1 1 108 108 PRO HD3 H 1 3.62 0.02 . 2 . . . . . 126 . . . 5516 1 1351 . 1 1 108 108 PRO C C 13 176.3 0.20 . 1 . . . . . 126 . . . 5516 1 1352 . 1 1 108 108 PRO CA C 13 64.5 0.20 . 1 . . . . . 126 . . . 5516 1 1353 . 1 1 108 108 PRO CB C 13 34.5 0.20 . 1 . . . . . 126 . . . 5516 1 1354 . 1 1 108 108 PRO CG C 13 28.2 0.20 . 1 . . . . . 126 . . . 5516 1 1355 . 1 1 108 108 PRO CD C 13 50.6 0.20 . 1 . . . . . 126 . . . 5516 1 1356 . 1 1 109 109 GLY H H 1 8.65 0.02 . 1 . . . . . 127 . . . 5516 1 1357 . 1 1 109 109 GLY HA2 H 1 4.20 0.02 . 2 . . . . . 127 . . . 5516 1 1358 . 1 1 109 109 GLY HA3 H 1 3.60 0.02 . 2 . . . . . 127 . . . 5516 1 1359 . 1 1 109 109 GLY C C 13 172.7 0.20 . 1 . . . . . 127 . . . 5516 1 1360 . 1 1 109 109 GLY CA C 13 46.5 0.20 . 1 . . . . . 127 . . . 5516 1 1361 . 1 1 109 109 GLY N N 15 116.7 0.05 . 1 . . . . . 127 . . . 5516 1 1362 . 1 1 110 110 VAL H H 1 8.07 0.02 . 1 . . . . . 128 . . . 5516 1 1363 . 1 1 110 110 VAL HA H 1 4.85 0.02 . 1 . . . . . 128 . . . 5516 1 1364 . 1 1 110 110 VAL HB H 1 1.96 0.02 . 1 . . . . . 128 . . . 5516 1 1365 . 1 1 110 110 VAL HG11 H 1 0.84 0.02 . 1 . . . . . 128 . . . 5516 1 1366 . 1 1 110 110 VAL HG12 H 1 0.84 0.02 . 1 . . . . . 128 . . . 5516 1 1367 . 1 1 110 110 VAL HG13 H 1 0.84 0.02 . 1 . . . . . 128 . . . 5516 1 1368 . 1 1 110 110 VAL HG21 H 1 0.84 0.02 . 1 . . . . . 128 . . . 5516 1 1369 . 1 1 110 110 VAL HG22 H 1 0.84 0.02 . 1 . . . . . 128 . . . 5516 1 1370 . 1 1 110 110 VAL HG23 H 1 0.84 0.02 . 1 . . . . . 128 . . . 5516 1 1371 . 1 1 110 110 VAL C C 13 174.3 0.20 . 1 . . . . . 128 . . . 5516 1 1372 . 1 1 110 110 VAL CA C 13 60.2 0.20 . 1 . . . . . 128 . . . 5516 1 1373 . 1 1 110 110 VAL CB C 13 36.0 0.20 . 1 . . . . . 128 . . . 5516 1 1374 . 1 1 110 110 VAL CG1 C 13 20.4 0.20 . 1 . . . . . 128 . . . 5516 1 1375 . 1 1 110 110 VAL CG2 C 13 20.4 0.20 . 1 . . . . . 128 . . . 5516 1 1376 . 1 1 110 110 VAL N N 15 119.4 0.05 . 1 . . . . . 128 . . . 5516 1 1377 . 1 1 111 111 ALA H H 1 8.73 0.02 . 1 . . . . . 129 . . . 5516 1 1378 . 1 1 111 111 ALA HA H 1 4.60 0.02 . 1 . . . . . 129 . . . 5516 1 1379 . 1 1 111 111 ALA HB1 H 1 1.00 0.02 . 1 . . . . . 129 . . . 5516 1 1380 . 1 1 111 111 ALA HB2 H 1 1.00 0.02 . 1 . . . . . 129 . . . 5516 1 1381 . 1 1 111 111 ALA HB3 H 1 1.00 0.02 . 1 . . . . . 129 . . . 5516 1 1382 . 1 1 111 111 ALA C C 13 175.3 0.20 . 1 . . . . . 129 . . . 5516 1 1383 . 1 1 111 111 ALA CA C 13 51.5 0.20 . 1 . . . . . 129 . . . 5516 1 1384 . 1 1 111 111 ALA CB C 13 21.6 0.20 . 1 . . . . . 129 . . . 5516 1 1385 . 1 1 111 111 ALA N N 15 127.0 0.05 . 1 . . . . . 129 . . . 5516 1 1386 . 1 1 112 112 ASN H H 1 8.45 0.02 . 1 . . . . . 130 . . . 5516 1 1387 . 1 1 112 112 ASN HA H 1 5.65 0.02 . 1 . . . . . 130 . . . 5516 1 1388 . 1 1 112 112 ASN HB2 H 1 2.57 0.02 . 1 . . . . . 130 . . . 5516 1 1389 . 1 1 112 112 ASN HB3 H 1 2.57 0.02 . 1 . . . . . 130 . . . 5516 1 1390 . 1 1 112 112 ASN HD21 H 1 7.42 0.02 . 2 . . . . . 130 . . . 5516 1 1391 . 1 1 112 112 ASN HD22 H 1 6.67 0.02 . 2 . . . . . 130 . . . 5516 1 1392 . 1 1 112 112 ASN C C 13 174.1 0.20 . 1 . . . . . 130 . . . 5516 1 1393 . 1 1 112 112 ASN CA C 13 52.5 0.20 . 1 . . . . . 130 . . . 5516 1 1394 . 1 1 112 112 ASN CB C 13 43.2 0.20 . 1 . . . . . 130 . . . 5516 1 1395 . 1 1 112 112 ASN N N 15 119.5 0.05 . 1 . . . . . 130 . . . 5516 1 1396 . 1 1 112 112 ASN ND2 N 15 112.9 0.05 . 1 . . . . . 130 . . . 5516 1 1397 . 1 1 113 113 LYS H H 1 8.58 0.02 . 1 . . . . . 131 . . . 5516 1 1398 . 1 1 113 113 LYS HA H 1 4.67 0.02 . 1 . . . . . 131 . . . 5516 1 1399 . 1 1 113 113 LYS HB2 H 1 1.82 0.02 . 1 . . . . . 131 . . . 5516 1 1400 . 1 1 113 113 LYS HB3 H 1 1.82 0.02 . 1 . . . . . 131 . . . 5516 1 1401 . 1 1 113 113 LYS HG2 H 1 1.43 0.02 . 2 . . . . . 131 . . . 5516 1 1402 . 1 1 113 113 LYS HG3 H 1 1.35 0.02 . 2 . . . . . 131 . . . 5516 1 1403 . 1 1 113 113 LYS HD2 H 1 1.84 0.02 . 2 . . . . . 131 . . . 5516 1 1404 . 1 1 113 113 LYS HD3 H 1 1.75 0.02 . 2 . . . . . 131 . . . 5516 1 1405 . 1 1 113 113 LYS HE2 H 1 3.05 0.02 . 2 . . . . . 131 . . . 5516 1 1406 . 1 1 113 113 LYS HE3 H 1 2.88 0.02 . 2 . . . . . 131 . . . 5516 1 1407 . 1 1 113 113 LYS C C 13 174.2 0.20 . 1 . . . . . 131 . . . 5516 1 1408 . 1 1 113 113 LYS CA C 13 55.6 0.20 . 1 . . . . . 131 . . . 5516 1 1409 . 1 1 113 113 LYS CB C 13 36.4 0.20 . 1 . . . . . 131 . . . 5516 1 1410 . 1 1 113 113 LYS CG C 13 25.2 0.20 . 1 . . . . . 131 . . . 5516 1 1411 . 1 1 113 113 LYS CD C 13 29.3 0.20 . 1 . . . . . 131 . . . 5516 1 1412 . 1 1 113 113 LYS CE C 13 42.7 0.20 . 1 . . . . . 131 . . . 5516 1 1413 . 1 1 113 113 LYS N N 15 121.5 0.05 . 1 . . . . . 131 . . . 5516 1 1414 . 1 1 114 114 LYS H H 1 8.72 0.02 . 1 . . . . . 132 . . . 5516 1 1415 . 1 1 114 114 LYS HA H 1 5.23 0.02 . 1 . . . . . 132 . . . 5516 1 1416 . 1 1 114 114 LYS HB2 H 1 1.65 0.02 . 1 . . . . . 132 . . . 5516 1 1417 . 1 1 114 114 LYS HB3 H 1 1.65 0.02 . 1 . . . . . 132 . . . 5516 1 1418 . 1 1 114 114 LYS HG2 H 1 1.38 0.02 . 2 . . . . . 132 . . . 5516 1 1419 . 1 1 114 114 LYS HG3 H 1 1.10 0.02 . 2 . . . . . 132 . . . 5516 1 1420 . 1 1 114 114 LYS HD2 H 1 1.58 0.02 . 1 . . . . . 132 . . . 5516 1 1421 . 1 1 114 114 LYS HD3 H 1 1.58 0.02 . 1 . . . . . 132 . . . 5516 1 1422 . 1 1 114 114 LYS HE2 H 1 2.81 0.02 . 2 . . . . . 132 . . . 5516 1 1423 . 1 1 114 114 LYS HE3 H 1 2.79 0.02 . 2 . . . . . 132 . . . 5516 1 1424 . 1 1 114 114 LYS C C 13 175.0 0.20 . 1 . . . . . 132 . . . 5516 1 1425 . 1 1 114 114 LYS CA C 13 55.6 0.20 . 1 . . . . . 132 . . . 5516 1 1426 . 1 1 114 114 LYS CB C 13 36.4 0.20 . 1 . . . . . 132 . . . 5516 1 1427 . 1 1 114 114 LYS CG C 13 26.2 0.20 . 1 . . . . . 132 . . . 5516 1 1428 . 1 1 114 114 LYS CD C 13 29.6 0.20 . 1 . . . . . 132 . . . 5516 1 1429 . 1 1 114 114 LYS CE C 13 41.8 0.20 . 1 . . . . . 132 . . . 5516 1 1430 . 1 1 114 114 LYS N N 15 123.3 0.05 . 1 . . . . . 132 . . . 5516 1 1431 . 1 1 115 115 ILE H H 1 9.47 0.02 . 1 . . . . . 133 . . . 5516 1 1432 . 1 1 115 115 ILE HA H 1 4.80 0.02 . 1 . . . . . 133 . . . 5516 1 1433 . 1 1 115 115 ILE HB H 1 1.90 0.02 . 1 . . . . . 133 . . . 5516 1 1434 . 1 1 115 115 ILE HG12 H 1 1.66 0.02 . 2 . . . . . 133 . . . 5516 1 1435 . 1 1 115 115 ILE HG13 H 1 1.25 0.02 . 2 . . . . . 133 . . . 5516 1 1436 . 1 1 115 115 ILE HG21 H 1 1.10 0.02 . 1 . . . . . 133 . . . 5516 1 1437 . 1 1 115 115 ILE HG22 H 1 1.10 0.02 . 1 . . . . . 133 . . . 5516 1 1438 . 1 1 115 115 ILE HG23 H 1 1.10 0.02 . 1 . . . . . 133 . . . 5516 1 1439 . 1 1 115 115 ILE HD11 H 1 0.89 0.02 . 1 . . . . . 133 . . . 5516 1 1440 . 1 1 115 115 ILE HD12 H 1 0.89 0.02 . 1 . . . . . 133 . . . 5516 1 1441 . 1 1 115 115 ILE HD13 H 1 0.89 0.02 . 1 . . . . . 133 . . . 5516 1 1442 . 1 1 115 115 ILE C C 13 174.7 0.20 . 1 . . . . . 133 . . . 5516 1 1443 . 1 1 115 115 ILE CA C 13 59.8 0.20 . 1 . . . . . 133 . . . 5516 1 1444 . 1 1 115 115 ILE CB C 13 43.5 0.20 . 1 . . . . . 133 . . . 5516 1 1445 . 1 1 115 115 ILE CG1 C 13 29.0 0.20 . 1 . . . . . 133 . . . 5516 1 1446 . 1 1 115 115 ILE CG2 C 13 22.0 0.20 . 1 . . . . . 133 . . . 5516 1 1447 . 1 1 115 115 ILE CD1 C 13 15.2 0.20 . 1 . . . . . 133 . . . 5516 1 1448 . 1 1 115 115 ILE N N 15 122.5 0.05 . 1 . . . . . 133 . . . 5516 1 1449 . 1 1 116 116 HIS H H 1 9.40 0.02 . 1 . . . . . 134 . . . 5516 1 1450 . 1 1 116 116 HIS HA H 1 5.23 0.02 . 1 . . . . . 134 . . . 5516 1 1451 . 1 1 116 116 HIS HB2 H 1 3.44 0.02 . 2 . . . . . 134 . . . 5516 1 1452 . 1 1 116 116 HIS HB3 H 1 3.25 0.02 . 2 . . . . . 134 . . . 5516 1 1453 . 1 1 116 116 HIS HD2 H 1 7.15 0.02 . 1 . . . . . 134 . . . 5516 1 1454 . 1 1 116 116 HIS HE1 H 1 8.56 0.02 . 1 . . . . . 134 . . . 5516 1 1455 . 1 1 116 116 HIS C C 13 171.8 0.20 . 1 . . . . . 134 . . . 5516 1 1456 . 1 1 116 116 HIS CA C 13 54.5 0.20 . 1 . . . . . 134 . . . 5516 1 1457 . 1 1 116 116 HIS CB C 13 29.2 0.20 . 1 . . . . . 134 . . . 5516 1 1458 . 1 1 116 116 HIS CD2 C 13 119.6 0.20 . 1 . . . . . 134 . . . 5516 1 1459 . 1 1 116 116 HIS CE1 C 13 136.5 0.20 . 1 . . . . . 134 . . . 5516 1 1460 . 1 1 116 116 HIS N N 15 127.1 0.05 . 1 . . . . . 134 . . . 5516 1 1461 . 1 1 117 117 LEU H H 1 8.89 0.02 . 1 . . . . . 135 . . . 5516 1 1462 . 1 1 117 117 LEU HA H 1 5.18 0.02 . 1 . . . . . 135 . . . 5516 1 1463 . 1 1 117 117 LEU HB2 H 1 2.18 0.02 . 1 . . . . . 135 . . . 5516 1 1464 . 1 1 117 117 LEU HB3 H 1 2.18 0.02 . 1 . . . . . 135 . . . 5516 1 1465 . 1 1 117 117 LEU HG H 1 1.18 0.02 . 1 . . . . . 135 . . . 5516 1 1466 . 1 1 117 117 LEU HD11 H 1 0.55 0.02 . 2 . . . . . 135 . . . 5516 1 1467 . 1 1 117 117 LEU HD12 H 1 0.55 0.02 . 2 . . . . . 135 . . . 5516 1 1468 . 1 1 117 117 LEU HD13 H 1 0.55 0.02 . 2 . . . . . 135 . . . 5516 1 1469 . 1 1 117 117 LEU HD21 H 1 0.50 0.02 . 2 . . . . . 135 . . . 5516 1 1470 . 1 1 117 117 LEU HD22 H 1 0.50 0.02 . 2 . . . . . 135 . . . 5516 1 1471 . 1 1 117 117 LEU HD23 H 1 0.50 0.02 . 2 . . . . . 135 . . . 5516 1 1472 . 1 1 117 117 LEU C C 13 174.1 0.20 . 1 . . . . . 135 . . . 5516 1 1473 . 1 1 117 117 LEU CA C 13 54.2 0.20 . 1 . . . . . 135 . . . 5516 1 1474 . 1 1 117 117 LEU CB C 13 45.2 0.20 . 1 . . . . . 135 . . . 5516 1 1475 . 1 1 117 117 LEU CG C 13 28.9 0.20 . 1 . . . . . 135 . . . 5516 1 1476 . 1 1 117 117 LEU CD1 C 13 25.0 0.20 . 2 . . . . . 135 . . . 5516 1 1477 . 1 1 117 117 LEU CD2 C 13 23.5 0.20 . 2 . . . . . 135 . . . 5516 1 1478 . 1 1 117 117 LEU N N 15 129.4 0.05 . 1 . . . . . 135 . . . 5516 1 1479 . 1 1 118 118 VAL H H 1 8.98 0.02 . 1 . . . . . 136 . . . 5516 1 1480 . 1 1 118 118 VAL HA H 1 4.10 0.02 . 1 . . . . . 136 . . . 5516 1 1481 . 1 1 118 118 VAL HB H 1 1.88 0.02 . 1 . . . . . 136 . . . 5516 1 1482 . 1 1 118 118 VAL HG11 H 1 0.97 0.02 . 2 . . . . . 136 . . . 5516 1 1483 . 1 1 118 118 VAL HG12 H 1 0.97 0.02 . 2 . . . . . 136 . . . 5516 1 1484 . 1 1 118 118 VAL HG13 H 1 0.97 0.02 . 2 . . . . . 136 . . . 5516 1 1485 . 1 1 118 118 VAL HG21 H 1 0.90 0.02 . 2 . . . . . 136 . . . 5516 1 1486 . 1 1 118 118 VAL HG22 H 1 0.90 0.02 . 2 . . . . . 136 . . . 5516 1 1487 . 1 1 118 118 VAL HG23 H 1 0.90 0.02 . 2 . . . . . 136 . . . 5516 1 1488 . 1 1 118 118 VAL C C 13 173.0 0.20 . 1 . . . . . 136 . . . 5516 1 1489 . 1 1 118 118 VAL CA C 13 62.4 0.20 . 1 . . . . . 136 . . . 5516 1 1490 . 1 1 118 118 VAL CB C 13 34.9 0.20 . 1 . . . . . 136 . . . 5516 1 1491 . 1 1 118 118 VAL CG1 C 13 21.2 0.20 . 1 . . . . . 136 . . . 5516 1 1492 . 1 1 118 118 VAL CG2 C 13 21.2 0.20 . 1 . . . . . 136 . . . 5516 1 1493 . 1 1 118 118 VAL N N 15 127.7 0.05 . 1 . . . . . 136 . . . 5516 1 1494 . 1 1 119 119 VAL H H 1 5.99 0.02 . 1 . . . . . 137 . . . 5516 1 1495 . 1 1 119 119 VAL HA H 1 4.82 0.02 . 1 . . . . . 137 . . . 5516 1 1496 . 1 1 119 119 VAL HB H 1 1.68 0.02 . 1 . . . . . 137 . . . 5516 1 1497 . 1 1 119 119 VAL HG11 H 1 0.79 0.02 . 2 . . . . . 137 . . . 5516 1 1498 . 1 1 119 119 VAL HG12 H 1 0.79 0.02 . 2 . . . . . 137 . . . 5516 1 1499 . 1 1 119 119 VAL HG13 H 1 0.79 0.02 . 2 . . . . . 137 . . . 5516 1 1500 . 1 1 119 119 VAL HG21 H 1 0.54 0.02 . 2 . . . . . 137 . . . 5516 1 1501 . 1 1 119 119 VAL HG22 H 1 0.54 0.02 . 2 . . . . . 137 . . . 5516 1 1502 . 1 1 119 119 VAL HG23 H 1 0.54 0.02 . 2 . . . . . 137 . . . 5516 1 1503 . 1 1 119 119 VAL C C 13 174.3 0.20 . 1 . . . . . 137 . . . 5516 1 1504 . 1 1 119 119 VAL CA C 13 60.2 0.20 . 1 . . . . . 137 . . . 5516 1 1505 . 1 1 119 119 VAL CB C 13 34.0 0.20 . 1 . . . . . 137 . . . 5516 1 1506 . 1 1 119 119 VAL CG1 C 13 21.3 0.20 . 2 . . . . . 137 . . . 5516 1 1507 . 1 1 119 119 VAL CG2 C 13 20.7 0.20 . 2 . . . . . 137 . . . 5516 1 1508 . 1 1 119 119 VAL N N 15 125.0 0.05 . 1 . . . . . 137 . . . 5516 1 1509 . 1 1 120 120 LEU H H 1 8.66 0.02 . 1 . . . . . 138 . . . 5516 1 1510 . 1 1 120 120 LEU HA H 1 4.56 0.02 . 1 . . . . . 138 . . . 5516 1 1511 . 1 1 120 120 LEU HB2 H 1 1.50 0.02 . 1 . . . . . 138 . . . 5516 1 1512 . 1 1 120 120 LEU HB3 H 1 1.50 0.02 . 1 . . . . . 138 . . . 5516 1 1513 . 1 1 120 120 LEU HG H 1 1.42 0.02 . 1 . . . . . 138 . . . 5516 1 1514 . 1 1 120 120 LEU HD11 H 1 0.76 0.02 . 1 . . . . . 138 . . . 5516 1 1515 . 1 1 120 120 LEU HD12 H 1 0.76 0.02 . 1 . . . . . 138 . . . 5516 1 1516 . 1 1 120 120 LEU HD13 H 1 0.76 0.02 . 1 . . . . . 138 . . . 5516 1 1517 . 1 1 120 120 LEU HD21 H 1 0.76 0.02 . 1 . . . . . 138 . . . 5516 1 1518 . 1 1 120 120 LEU HD22 H 1 0.76 0.02 . 1 . . . . . 138 . . . 5516 1 1519 . 1 1 120 120 LEU HD23 H 1 0.76 0.02 . 1 . . . . . 138 . . . 5516 1 1520 . 1 1 120 120 LEU C C 13 176.9 0.20 . 1 . . . . . 138 . . . 5516 1 1521 . 1 1 120 120 LEU CA C 13 53.5 0.20 . 1 . . . . . 138 . . . 5516 1 1522 . 1 1 120 120 LEU CB C 13 44.5 0.20 . 1 . . . . . 138 . . . 5516 1 1523 . 1 1 120 120 LEU CG C 13 26.8 0.20 . 1 . . . . . 138 . . . 5516 1 1524 . 1 1 120 120 LEU CD1 C 13 25.2 0.20 . 2 . . . . . 138 . . . 5516 1 1525 . 1 1 120 120 LEU CD2 C 13 22.8 0.20 . 2 . . . . . 138 . . . 5516 1 1526 . 1 1 120 120 LEU N N 15 126.2 0.05 . 1 . . . . . 138 . . . 5516 1 1527 . 1 1 121 121 VAL H H 1 8.47 0.02 . 1 . . . . . 139 . . . 5516 1 1528 . 1 1 121 121 VAL HA H 1 4.08 0.02 . 1 . . . . . 139 . . . 5516 1 1529 . 1 1 121 121 VAL HB H 1 2.05 0.02 . 1 . . . . . 139 . . . 5516 1 1530 . 1 1 121 121 VAL HG11 H 1 0.98 0.02 . 2 . . . . . 139 . . . 5516 1 1531 . 1 1 121 121 VAL HG12 H 1 0.98 0.02 . 2 . . . . . 139 . . . 5516 1 1532 . 1 1 121 121 VAL HG13 H 1 0.98 0.02 . 2 . . . . . 139 . . . 5516 1 1533 . 1 1 121 121 VAL HG21 H 1 0.90 0.02 . 2 . . . . . 139 . . . 5516 1 1534 . 1 1 121 121 VAL HG22 H 1 0.90 0.02 . 2 . . . . . 139 . . . 5516 1 1535 . 1 1 121 121 VAL HG23 H 1 0.90 0.02 . 2 . . . . . 139 . . . 5516 1 1536 . 1 1 121 121 VAL C C 13 175.6 0.20 . 1 . . . . . 139 . . . 5516 1 1537 . 1 1 121 121 VAL CA C 13 62.5 0.20 . 1 . . . . . 139 . . . 5516 1 1538 . 1 1 121 121 VAL CB C 13 32.5 0.20 . 1 . . . . . 139 . . . 5516 1 1539 . 1 1 121 121 VAL CG1 C 13 21.3 0.20 . 1 . . . . . 139 . . . 5516 1 1540 . 1 1 121 121 VAL CG2 C 13 21.3 0.20 . 1 . . . . . 139 . . . 5516 1 1541 . 1 1 121 121 VAL N N 15 119.9 0.05 . 1 . . . . . 139 . . . 5516 1 1542 . 1 1 122 122 LYS H H 1 8.23 0.02 . 1 . . . . . 140 . . . 5516 1 1543 . 1 1 122 122 LYS HA H 1 4.62 0.02 . 1 . . . . . 140 . . . 5516 1 1544 . 1 1 122 122 LYS HB2 H 1 1.82 0.02 . 2 . . . . . 140 . . . 5516 1 1545 . 1 1 122 122 LYS HB3 H 1 1.70 0.02 . 2 . . . . . 140 . . . 5516 1 1546 . 1 1 122 122 LYS HG2 H 1 1.55 0.02 . 2 . . . . . 140 . . . 5516 1 1547 . 1 1 122 122 LYS HG3 H 1 1.40 0.02 . 2 . . . . . 140 . . . 5516 1 1548 . 1 1 122 122 LYS HD2 H 1 1.67 0.02 . 1 . . . . . 140 . . . 5516 1 1549 . 1 1 122 122 LYS HD3 H 1 1.67 0.02 . 1 . . . . . 140 . . . 5516 1 1550 . 1 1 122 122 LYS HE2 H 1 3.00 0.02 . 1 . . . . . 140 . . . 5516 1 1551 . 1 1 122 122 LYS HE3 H 1 3.00 0.02 . 1 . . . . . 140 . . . 5516 1 1552 . 1 1 122 122 LYS CA C 13 54.0 0.20 . 1 . . . . . 140 . . . 5516 1 1553 . 1 1 122 122 LYS CB C 13 33.0 0.20 . 1 . . . . . 140 . . . 5516 1 1554 . 1 1 122 122 LYS CG C 13 24.5 0.20 . 1 . . . . . 140 . . . 5516 1 1555 . 1 1 122 122 LYS CD C 13 29.9 0.20 . 1 . . . . . 140 . . . 5516 1 1556 . 1 1 122 122 LYS CE C 13 41.9 0.20 . 1 . . . . . 140 . . . 5516 1 1557 . 1 1 122 122 LYS N N 15 124.2 0.05 . 1 . . . . . 140 . . . 5516 1 1558 . 1 1 123 123 PRO HA H 1 4.39 0.02 . 1 . . . . . 141 . . . 5516 1 1559 . 1 1 123 123 PRO HB2 H 1 2.29 0.02 . 2 . . . . . 141 . . . 5516 1 1560 . 1 1 123 123 PRO HB3 H 1 1.93 0.02 . 2 . . . . . 141 . . . 5516 1 1561 . 1 1 123 123 PRO HG2 H 1 2.01 0.02 . 1 . . . . . 141 . . . 5516 1 1562 . 1 1 123 123 PRO HG3 H 1 2.01 0.02 . 1 . . . . . 141 . . . 5516 1 1563 . 1 1 123 123 PRO HD2 H 1 3.85 0.02 . 1 . . . . . 141 . . . 5516 1 1564 . 1 1 123 123 PRO HD3 H 1 3.85 0.02 . 1 . . . . . 141 . . . 5516 1 1565 . 1 1 123 123 PRO C C 13 176.8 0.20 . 1 . . . . . 141 . . . 5516 1 1566 . 1 1 123 123 PRO CA C 13 63.2 0.20 . 1 . . . . . 141 . . . 5516 1 1567 . 1 1 123 123 PRO CB C 13 32.3 0.20 . 1 . . . . . 141 . . . 5516 1 1568 . 1 1 123 123 PRO CG C 13 27.2 0.20 . 1 . . . . . 141 . . . 5516 1 1569 . 1 1 123 123 PRO CD C 13 50.5 0.20 . 1 . . . . . 141 . . . 5516 1 1570 . 1 1 124 124 SER H H 1 8.44 0.02 . 1 . . . . . 142 . . . 5516 1 1571 . 1 1 124 124 SER HA H 1 4.37 0.02 . 1 . . . . . 142 . . . 5516 1 1572 . 1 1 124 124 SER HB2 H 1 3.86 0.02 . 1 . . . . . 142 . . . 5516 1 1573 . 1 1 124 124 SER HB3 H 1 3.86 0.02 . 1 . . . . . 142 . . . 5516 1 1574 . 1 1 124 124 SER C C 13 175.2 0.20 . 1 . . . . . 142 . . . 5516 1 1575 . 1 1 124 124 SER CA C 13 58.8 0.20 . 1 . . . . . 142 . . . 5516 1 1576 . 1 1 124 124 SER CB C 13 63.9 0.20 . 1 . . . . . 142 . . . 5516 1 1577 . 1 1 124 124 SER N N 15 116.2 0.05 . 1 . . . . . 142 . . . 5516 1 1578 . 1 1 125 125 GLY H H 1 8.44 0.02 . 1 . . . . . 143 . . . 5516 1 1579 . 1 1 125 125 GLY HA2 H 1 4.00 0.02 . 2 . . . . . 143 . . . 5516 1 1580 . 1 1 125 125 GLY HA3 H 1 3.95 0.02 . 2 . . . . . 143 . . . 5516 1 1581 . 1 1 125 125 GLY C C 13 173.0 0.20 . 1 . . . . . 143 . . . 5516 1 1582 . 1 1 125 125 GLY CA C 13 45.3 0.20 . 1 . . . . . 143 . . . 5516 1 1583 . 1 1 125 125 GLY N N 15 111.7 0.05 . 1 . . . . . 143 . . . 5516 1 1584 . 1 1 126 126 ALA H H 1 7.89 0.02 . 1 . . . . . 144 . . . 5516 1 1585 . 1 1 126 126 ALA HA H 1 4.20 0.02 . 1 . . . . . 144 . . . 5516 1 1586 . 1 1 126 126 ALA HB1 H 1 1.30 0.02 . 1 . . . . . 144 . . . 5516 1 1587 . 1 1 126 126 ALA HB2 H 1 1.30 0.02 . 1 . . . . . 144 . . . 5516 1 1588 . 1 1 126 126 ALA HB3 H 1 1.30 0.02 . 1 . . . . . 144 . . . 5516 1 1589 . 1 1 126 126 ALA CA C 13 53.0 0.20 . 1 . . . . . 144 . . . 5516 1 1590 . 1 1 126 126 ALA CB C 13 20.0 0.20 . 1 . . . . . 144 . . . 5516 1 1591 . 1 1 126 126 ALA N N 15 128.3 0.05 . 1 . . . . . 144 . . . 5516 1 stop_ loop_ _Ambiguous_atom_chem_shift.Ambiguous_shift_set_ID _Ambiguous_atom_chem_shift.Atom_chem_shift_ID _Ambiguous_atom_chem_shift.Entry_ID _Ambiguous_atom_chem_shift.Assigned_chem_shift_list_ID 1 167 5516 1 1 168 5516 1 2 467 5516 1 2 468 5516 1 stop_ save_