data_7087 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 7087 _Entry.Title ; 1H, 13C and 15N Assignments of the Dengue-4 Envelope Protein Domain III ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2006-04-24 _Entry.Accession_date 2006-04-25 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details 'Chemical Shifts of the Dengue-4 Envelope Protein Domain III' _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 David Volk . E. . 7087 2 Yi-Chien Lee . . . 7087 3 Xin Li . . . 7087 4 David Beasley . W.C. . 7087 5 Alan Barrett . D.T. . 7087 6 David Gorenstein . G. . 7087 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID . . SCSB . 7087 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 7087 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 379 7087 '15N chemical shifts' 86 7087 '1H chemical shifts' 649 7087 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 . . 2007-02-09 2006-04-24 update BMRB 'complete entry citation' 7087 1 . . 2006-10-02 2006-04-24 original author 'original release' 7087 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2H0P 'BMRB Entry Tracking System' 7087 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 7087 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 17131034 _Citation.Full_citation . _Citation.Title 'NMR Assignment of the Dengue-4 Virus Envelope Protein Domain III' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 36 _Citation.Journal_issue 'Suppl. 5' _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 62 _Citation.Page_last 62 _Citation.Year 2006 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 David Volk . E. . 7087 1 2 Yi-Chien Lee . . . 7087 1 3 Xin Li . . . 7087 1 4 Alan Barrett . D.T. . 7087 1 5 David Gorenstein . G. . 7087 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Dengue-4 virus' 7087 1 'Envelope Protein' 7087 1 Flavivirus 7087 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 7087 _Assembly.ID 1 _Assembly.Name D4ED3 _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states yes _Assembly.Ambiguous_chem_comp_sites no _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state 'all disulfide bound' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details ; Dengue-4 Envelope Protein Domain III. Residues 288-400 ; _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'D4ED3 Monomer' 1 $D4ED3_Monomer . . yes native no no 1 . . 7087 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_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_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide SING . 1 . 1 CYS 14 14 SG . 1 . 1 CYS 45 45 SG . . . . . . . . . . 7087 1 stop_ loop_ _Entity_deleted_atom.ID _Entity_deleted_atom.Entity_atom_list_ID _Entity_deleted_atom.Entity_assembly_ID _Entity_deleted_atom.Entity_ID _Entity_deleted_atom.Comp_ID _Entity_deleted_atom.Comp_index_ID _Entity_deleted_atom.Seq_ID _Entity_deleted_atom.Atom_ID _Entity_deleted_atom.Auth_entity_assembly_ID _Entity_deleted_atom.Auth_seq_ID _Entity_deleted_atom.Auth_comp_ID _Entity_deleted_atom.Auth_atom_ID _Entity_deleted_atom.Entry_ID _Entity_deleted_atom.Assembly_ID 1 . 1 1 CYS 14 14 HG . . . . 7087 1 2 . 1 1 CYS 45 45 HG . . . . 7087 1 stop_ loop_ _Atom_type.ID _Atom_type.Symbol _Atom_type.Atomic_number _Atom_type.Isotope_number _Atom_type.Oxidation_number _Atom_type.Paramagnetic _Atom_type.Electron_configuration _Atom_type.Unpaired_electron_number _Atom_type.Atomic_mass _Atom_type.Van_der_Vaals_radii _Atom_type.Entry_ID _Atom_type.Assembly_ID 1 . . 1 . . . . . . 7087 1 . . . 1 . . . . . . 7087 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_D4ED3_Monomer _Entity.Sf_category entity _Entity.Sf_framecode D4ED3_Monomer _Entity.Entry_ID 7087 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name D4ED3 _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 ; MEKLRIKGMSYTMCSGKFSI DKEMAETQHGTTVVKVKYEG AGAPCKVPIEIRDVNKEKVV GRIISSTPLAENTNSVTNIE LEPPFGDSYIVIGVGNSALT LHWFRKGSSIGK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 112 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _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 . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2H0P . "Nmr Structure Of The Dengue-4 Virus Envelope Protein Domain Iii" . . . . . 100.00 112 100.00 100.00 3.12e-75 . . . . 7087 1 2 no PDB 3UAJ . "Crystal Structure Of The Envelope Glycoprotein Ectodomain From Dengue Virus Serotype 4 In Complex With The Fab Fragment Of The " . . . . . 95.54 433 100.00 100.00 1.49e-67 . . . . 7087 1 3 no PDB 3UYP . "Crystal Structure Of The Dengue Virus Serotype 4 Envelope Protein Domain Iii In Complex With The Variable Domains Of Mab 4e11" . . . . . 93.75 114 98.10 99.05 9.03e-69 . . . . 7087 1 4 no PDB 3WE1 . "Crystal Structure Of Dengue 4 Envelope Protein Domain Iii (ed3)" . . . . . 93.75 107 100.00 100.00 6.45e-70 . . . . 7087 1 5 no PDB 4AM0 . "Structure Of Dengue Virus Strain 4 Diii In Complex With Fab 2h12" . . . . . 90.18 101 97.03 98.02 6.76e-65 . . . . 7087 1 6 no PDB 4CBF . "Near-atomic Resolution Cryo-em Structure Of Dengue Serotype 4 Virus" . . . . . 100.00 495 98.21 98.21 3.59e-69 . . . . 7087 1 7 no DBJ BAC77234 . "envelope protein [Dengue virus 4]" . . . . . 100.00 495 97.32 99.11 3.63e-69 . . . . 7087 1 8 no DBJ BAC77235 . "envelope protein [Dengue virus 4]" . . . . . 100.00 495 97.32 97.32 1.97e-68 . . . . 7087 1 9 no DBJ BAC77236 . "envelope protein [Dengue virus 4]" . . . . . 100.00 495 98.21 99.11 1.98e-69 . . . . 7087 1 10 no DBJ BAC77238 . "envelope protein [Dengue virus type 4]" . . . . . 100.00 495 97.32 98.21 3.12e-68 . . . . 7087 1 11 no DBJ BAC77239 . "envelope protein [Dengue virus 4]" . . . . . 100.00 495 97.32 98.21 3.12e-68 . . . . 7087 1 12 no EMBL CAD21677 . "envelope protein [Dengue virus 4]" . . . . . 100.00 495 97.32 98.21 3.34e-69 . . . . 7087 1 13 no EMBL CAD21678 . "envelope protein [Dengue virus 4]" . . . . . 100.00 495 98.21 99.11 2.11e-69 . . . . 7087 1 14 no EMBL CAD21679 . "envelope protein [Dengue virus 4]" . . . . . 100.00 495 98.21 99.11 1.88e-69 . . . . 7087 1 15 no EMBL CAD21680 . "envelope protein [Dengue virus 4]" . . . . . 100.00 495 98.21 99.11 1.78e-69 . . . . 7087 1 16 no EMBL CAD21681 . "envelope protein [Dengue virus 4]" . . . . . 100.00 495 98.21 99.11 2.11e-69 . . . . 7087 1 17 no GB AAA42964 . "polyprotein precursor [Dengue virus 4]" . . . . . 100.00 3387 100.00 100.00 6.11e-67 . . . . 7087 1 18 no GB AAB70676 . "polyprotein [Dengue virus 4]" . . . . . 100.00 545 100.00 100.00 3.59e-70 . . . . 7087 1 19 no GB AAB70677 . "polyprotein [Dengue virus 4]" . . . . . 100.00 545 100.00 100.00 3.59e-70 . . . . 7087 1 20 no GB AAB70678 . "polyprotein, partial [Dengue virus 4]" . . . . . 100.00 545 100.00 100.00 3.37e-70 . . . . 7087 1 21 no GB AAB70679 . "polyprotein, partial [Dengue virus 4]" . . . . . 100.00 545 99.11 100.00 1.57e-69 . . . . 7087 1 22 no PIR GNWVDF . "genome polyprotein - dengue virus type 4" . . . . . 100.00 3386 97.32 97.32 1.68e-62 . . . . 7087 1 23 no REF NP_073286 . "polyprotein precursor [Dengue virus 4]" . . . . . 100.00 3387 100.00 100.00 6.11e-67 . . . . 7087 1 24 no REF NP_740317 . "envelope (E) protein [Dengue virus 4]" . . . . . 100.00 495 100.00 100.00 1.21e-70 . . . . 7087 1 25 no SP P09866 . "RecName: Full=Genome polyprotein; Contains: RecName: Full=Capsid protein C; AltName: Full=Core protein; Contains: RecName: Full" . . . . . 100.00 3387 100.00 100.00 6.11e-67 . . . . 7087 1 26 no SP Q2YHF0 . "RecName: Full=Genome polyprotein; Contains: RecName: Full=Capsid protein C; AltName: Full=Core protein; Contains: RecName: Full" . . . . . 100.00 3387 97.32 98.21 3.08e-65 . . . . 7087 1 27 no SP Q58HT7 . "RecName: Full=Genome polyprotein; Contains: RecName: Full=Capsid protein C; AltName: Full=Core protein; Contains: RecName: Full" . . . . . 100.00 3387 97.32 98.21 7.63e-65 . . . . 7087 1 28 no SP Q5UCB8 . "RecName: Full=Genome polyprotein; Contains: RecName: Full=Capsid protein C; AltName: Full=Core protein; Contains: RecName: Full" . . . . . 100.00 3387 99.11 100.00 1.10e-66 . . . . 7087 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID D4ED3 . 7087 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 . MET . 7087 1 2 . GLU . 7087 1 3 . LYS . 7087 1 4 . LEU . 7087 1 5 . ARG . 7087 1 6 . ILE . 7087 1 7 . LYS . 7087 1 8 . GLY . 7087 1 9 . MET . 7087 1 10 . SER . 7087 1 11 . TYR . 7087 1 12 . THR . 7087 1 13 . MET . 7087 1 14 . CYS . 7087 1 15 . SER . 7087 1 16 . GLY . 7087 1 17 . LYS . 7087 1 18 . PHE . 7087 1 19 . SER . 7087 1 20 . ILE . 7087 1 21 . ASP . 7087 1 22 . LYS . 7087 1 23 . GLU . 7087 1 24 . MET . 7087 1 25 . ALA . 7087 1 26 . GLU . 7087 1 27 . THR . 7087 1 28 . GLN . 7087 1 29 . HIS . 7087 1 30 . GLY . 7087 1 31 . THR . 7087 1 32 . THR . 7087 1 33 . VAL . 7087 1 34 . VAL . 7087 1 35 . LYS . 7087 1 36 . VAL . 7087 1 37 . LYS . 7087 1 38 . TYR . 7087 1 39 . GLU . 7087 1 40 . GLY . 7087 1 41 . ALA . 7087 1 42 . GLY . 7087 1 43 . ALA . 7087 1 44 . PRO . 7087 1 45 . CYS . 7087 1 46 . LYS . 7087 1 47 . VAL . 7087 1 48 . PRO . 7087 1 49 . ILE . 7087 1 50 . GLU . 7087 1 51 . ILE . 7087 1 52 . ARG . 7087 1 53 . ASP . 7087 1 54 . VAL . 7087 1 55 . ASN . 7087 1 56 . LYS . 7087 1 57 . GLU . 7087 1 58 . LYS . 7087 1 59 . VAL . 7087 1 60 . VAL . 7087 1 61 . GLY . 7087 1 62 . ARG . 7087 1 63 . ILE . 7087 1 64 . ILE . 7087 1 65 . SER . 7087 1 66 . SER . 7087 1 67 . THR . 7087 1 68 . PRO . 7087 1 69 . LEU . 7087 1 70 . ALA . 7087 1 71 . GLU . 7087 1 72 . ASN . 7087 1 73 . THR . 7087 1 74 . ASN . 7087 1 75 . SER . 7087 1 76 . VAL . 7087 1 77 . THR . 7087 1 78 . ASN . 7087 1 79 . ILE . 7087 1 80 . GLU . 7087 1 81 . LEU . 7087 1 82 . GLU . 7087 1 83 . PRO . 7087 1 84 . PRO . 7087 1 85 . PHE . 7087 1 86 . GLY . 7087 1 87 . ASP . 7087 1 88 . SER . 7087 1 89 . TYR . 7087 1 90 . ILE . 7087 1 91 . VAL . 7087 1 92 . ILE . 7087 1 93 . GLY . 7087 1 94 . VAL . 7087 1 95 . GLY . 7087 1 96 . ASN . 7087 1 97 . SER . 7087 1 98 . ALA . 7087 1 99 . LEU . 7087 1 100 . THR . 7087 1 101 . LEU . 7087 1 102 . HIS . 7087 1 103 . TRP . 7087 1 104 . PHE . 7087 1 105 . ARG . 7087 1 106 . LYS . 7087 1 107 . GLY . 7087 1 108 . SER . 7087 1 109 . SER . 7087 1 110 . ILE . 7087 1 111 . GLY . 7087 1 112 . LYS . 7087 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 . MET 1 1 7087 1 . GLU 2 2 7087 1 . LYS 3 3 7087 1 . LEU 4 4 7087 1 . ARG 5 5 7087 1 . ILE 6 6 7087 1 . LYS 7 7 7087 1 . GLY 8 8 7087 1 . MET 9 9 7087 1 . SER 10 10 7087 1 . TYR 11 11 7087 1 . THR 12 12 7087 1 . MET 13 13 7087 1 . CYS 14 14 7087 1 . SER 15 15 7087 1 . GLY 16 16 7087 1 . LYS 17 17 7087 1 . PHE 18 18 7087 1 . SER 19 19 7087 1 . ILE 20 20 7087 1 . ASP 21 21 7087 1 . LYS 22 22 7087 1 . GLU 23 23 7087 1 . MET 24 24 7087 1 . ALA 25 25 7087 1 . GLU 26 26 7087 1 . THR 27 27 7087 1 . GLN 28 28 7087 1 . HIS 29 29 7087 1 . GLY 30 30 7087 1 . THR 31 31 7087 1 . THR 32 32 7087 1 . VAL 33 33 7087 1 . VAL 34 34 7087 1 . LYS 35 35 7087 1 . VAL 36 36 7087 1 . LYS 37 37 7087 1 . TYR 38 38 7087 1 . GLU 39 39 7087 1 . GLY 40 40 7087 1 . ALA 41 41 7087 1 . GLY 42 42 7087 1 . ALA 43 43 7087 1 . PRO 44 44 7087 1 . CYS 45 45 7087 1 . LYS 46 46 7087 1 . VAL 47 47 7087 1 . PRO 48 48 7087 1 . ILE 49 49 7087 1 . GLU 50 50 7087 1 . ILE 51 51 7087 1 . ARG 52 52 7087 1 . ASP 53 53 7087 1 . VAL 54 54 7087 1 . ASN 55 55 7087 1 . LYS 56 56 7087 1 . GLU 57 57 7087 1 . LYS 58 58 7087 1 . VAL 59 59 7087 1 . VAL 60 60 7087 1 . GLY 61 61 7087 1 . ARG 62 62 7087 1 . ILE 63 63 7087 1 . ILE 64 64 7087 1 . SER 65 65 7087 1 . SER 66 66 7087 1 . THR 67 67 7087 1 . PRO 68 68 7087 1 . LEU 69 69 7087 1 . ALA 70 70 7087 1 . GLU 71 71 7087 1 . ASN 72 72 7087 1 . THR 73 73 7087 1 . ASN 74 74 7087 1 . SER 75 75 7087 1 . VAL 76 76 7087 1 . THR 77 77 7087 1 . ASN 78 78 7087 1 . ILE 79 79 7087 1 . GLU 80 80 7087 1 . LEU 81 81 7087 1 . GLU 82 82 7087 1 . PRO 83 83 7087 1 . PRO 84 84 7087 1 . PHE 85 85 7087 1 . GLY 86 86 7087 1 . ASP 87 87 7087 1 . SER 88 88 7087 1 . TYR 89 89 7087 1 . ILE 90 90 7087 1 . VAL 91 91 7087 1 . ILE 92 92 7087 1 . GLY 93 93 7087 1 . VAL 94 94 7087 1 . GLY 95 95 7087 1 . ASN 96 96 7087 1 . SER 97 97 7087 1 . ALA 98 98 7087 1 . LEU 99 99 7087 1 . THR 100 100 7087 1 . LEU 101 101 7087 1 . HIS 102 102 7087 1 . TRP 103 103 7087 1 . PHE 104 104 7087 1 . ARG 105 105 7087 1 . LYS 106 106 7087 1 . GLY 107 107 7087 1 . SER 108 108 7087 1 . SER 109 109 7087 1 . ILE 110 110 7087 1 . GLY 111 111 7087 1 . LYS 112 112 7087 1 stop_ loop_ _Entity_citation.Citation_ID _Entity_citation.Citation_label _Entity_citation.Entry_ID _Entity_citation.Entity_ID 1 $citation_1 7087 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 7087 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $D4ED3_Monomer . 12637 . no . 'Dengue-4 virus strain 703-4' . . Viruses . Flaviviridae Dengue-4 703-4 . . . . . . . . . . . . . . . . . . . . 7087 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 7087 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $D4ED3_Monomer . 'recombinant technology' . 'E. coli' . . . . . . . . . . . . . . . . . . . . . . . . . . . 7087 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 7087 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.6 mM D4ED3' _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 D4ED3 '[U-13C; U-15N]' . . 1 $D4ED3_Monomer . protein 0.6 . . mM 0.05 . . . 7087 1 stop_ loop_ _Sample_citation.Citation_ID _Sample_citation.Citation_label _Sample_citation.Entry_ID _Sample_citation.Sample_ID 1 $citation_1 7087 1 stop_ save_ ####################### # Sample conditions # ####################### save_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode conditions_1 _Sample_condition_list.Entry_ID 7087 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 7.5 0.1 pH 7087 1 temperature 298 1 K 7087 1 stop_ loop_ _Sample_condition_citation.Citation_ID _Sample_condition_citation.Citation_label _Sample_condition_citation.Entry_ID _Sample_condition_citation.Sample_condition_list_ID 1 $citation_1 7087 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_800 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 800 _NMR_spectrometer.Entry_ID 7087 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Inova _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_700 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 700 _NMR_spectrometer.Entry_ID 7087 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Inova _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_600 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 600 _NMR_spectrometer.Entry_ID 7087 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model UnityPlus _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ ############################# # NMR applied experiments # ############################# save_NMR_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode NMR_experiment_list _Experiment_list.Entry_ID 7087 _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 no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7087 1 2 HNCO no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7087 1 3 HNHA no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7087 1 4 HNCACB no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7087 1 5 CBCACONH no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7087 1 6 HCCONH no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7087 1 7 CCONH no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7087 1 8 HCCH-TOCSY no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7087 1 9 'HCCH-TOCSY centered on aromatic C13' no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7087 1 10 HBCBCGCDHD no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7087 1 11 HBCBCGCDHDHE no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7087 1 12 'NOESY-HSQC (N15)' no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7087 1 13 'TOCSY-HSQC (N15)' no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7087 1 14 1H,C13-HSQC no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7087 1 15 1H,N15-HSQC no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7087 1 16 HCACOCANH no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7087 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_referencing _Chem_shift_reference.Entry_ID 7087 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 7087 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 7087 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 7087 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 7087 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing _Assigned_chem_shift_list.Chem_shift_1H_err 0.01 _Assigned_chem_shift_list.Chem_shift_13C_err 0.2 _Assigned_chem_shift_list.Chem_shift_15N_err 0.1 _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 15 1H,N15-HSQC 1 $sample_1 isotropic 7087 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 6 6 ILE H H 1 8.04 0.01 . 1 . . . . 6 ILE H . 7087 1 2 . 1 1 6 6 ILE HA H 1 4.12 0.01 . 1 . . . . 6 ILE HA . 7087 1 3 . 1 1 6 6 ILE HB H 1 1.83 0.01 . 1 . . . . 6 ILE HB . 7087 1 4 . 1 1 6 6 ILE HG12 H 1 1.42 0.01 . 1 . . . . 6 ILE HG12 . 7087 1 5 . 1 1 6 6 ILE HG13 H 1 1.42 0.01 . 1 . . . . 6 ILE HG13 . 7087 1 6 . 1 1 6 6 ILE HG21 H 1 1.15 0.01 . 4 . . . . 6 ILE HG2 . 7087 1 7 . 1 1 6 6 ILE HG22 H 1 1.15 0.01 . 4 . . . . 6 ILE HG2 . 7087 1 8 . 1 1 6 6 ILE HG23 H 1 1.15 0.01 . 4 . . . . 6 ILE HG2 . 7087 1 9 . 1 1 6 6 ILE HD11 H 1 0.87 0.01 . 4 . . . . 6 ILE HD1 . 7087 1 10 . 1 1 6 6 ILE HD12 H 1 0.87 0.01 . 4 . . . . 6 ILE HD1 . 7087 1 11 . 1 1 6 6 ILE HD13 H 1 0.87 0.01 . 4 . . . . 6 ILE HD1 . 7087 1 12 . 1 1 7 7 LYS H H 1 7.86 0.05 . 1 . . . . 7 LYS H . 7087 1 13 . 1 1 7 7 LYS N N 15 129.7 0.5 . 1 . . . . 7 LYS N . 7087 1 14 . 1 1 11 11 TYR HA H 1 4.82 0.01 . 1 . . . . 11 TYR HA . 7087 1 15 . 1 1 11 11 TYR HB2 H 1 2.53 0.01 . 1 . . . . 11 TYR HB2 . 7087 1 16 . 1 1 11 11 TYR HB3 H 1 3.03 0.01 . 1 . . . . 11 TYR HB3 . 7087 1 17 . 1 1 11 11 TYR HD1 H 1 6.96 0.01 . 1 . . . . 11 TYR HD1 . 7087 1 18 . 1 1 11 11 TYR HD2 H 1 6.96 0.01 . 1 . . . . 11 TYR HD2 . 7087 1 19 . 1 1 11 11 TYR HE1 H 1 6.70 0.01 . 1 . . . . 11 TYR HE1 . 7087 1 20 . 1 1 11 11 TYR HE2 H 1 6.70 0.01 . 1 . . . . 11 TYR HE2 . 7087 1 21 . 1 1 11 11 TYR C C 13 175.9 . . 1 . . . . 11 TYR C . 7087 1 22 . 1 1 11 11 TYR CA C 13 56.8 0.2 . 1 . . . . 11 TYR CA . 7087 1 23 . 1 1 11 11 TYR CB C 13 40.7 0.2 . 1 . . . . 11 TYR CB . 7087 1 24 . 1 1 11 11 TYR CD1 C 13 133.2 0.2 . 1 . . . . 11 TYR CD1 . 7087 1 25 . 1 1 11 11 TYR CD2 C 13 133.2 0.2 . 1 . . . . 11 TYR CD2 . 7087 1 26 . 1 1 11 11 TYR CE1 C 13 118.5 0.2 . 1 . . . . 11 TYR CE1 . 7087 1 27 . 1 1 11 11 TYR CE2 C 13 118.5 0.2 . 1 . . . . 11 TYR CE2 . 7087 1 28 . 1 1 12 12 THR H H 1 8.89 0.01 . 1 . . . . 12 THR H . 7087 1 29 . 1 1 12 12 THR HA H 1 4.53 0.01 . 1 . . . . 12 THR HA . 7087 1 30 . 1 1 12 12 THR HB H 1 4.34 0.01 . 1 . . . . 12 THR HB . 7087 1 31 . 1 1 12 12 THR HG21 H 1 1.26 0.01 . 1 . . . . 12 THR HG2 . 7087 1 32 . 1 1 12 12 THR HG22 H 1 1.26 0.01 . 1 . . . . 12 THR HG2 . 7087 1 33 . 1 1 12 12 THR HG23 H 1 1.26 0.01 . 1 . . . . 12 THR HG2 . 7087 1 34 . 1 1 12 12 THR C C 13 174.9 0.2 . 1 . . . . 12 THR C . 7087 1 35 . 1 1 12 12 THR CA C 13 60.2 0.2 . 1 . . . . 12 THR CA . 7087 1 36 . 1 1 12 12 THR CB C 13 70.7 0.2 . 1 . . . . 12 THR CB . 7087 1 37 . 1 1 12 12 THR CG2 C 13 21.7 0.2 . 1 . . . . 12 THR CG2 . 7087 1 38 . 1 1 12 12 THR N N 15 114.5 0.1 . 1 . . . . 12 THR N . 7087 1 39 . 1 1 13 13 MET H H 1 8.52 0.01 . 1 . . . . 13 MET H . 7087 1 40 . 1 1 13 13 MET HA H 1 4.68 0.01 . 1 . . . . 13 MET HA . 7087 1 41 . 1 1 13 13 MET HB2 H 1 2.07 0.01 . 1 . . . . 13 MET HB2 . 7087 1 42 . 1 1 13 13 MET HB3 H 1 1.84 0.01 . 1 . . . . 13 MET HB3 . 7087 1 43 . 1 1 13 13 MET HG2 H 1 2.74 0.01 . 1 . . . . 13 MET HG2 . 7087 1 44 . 1 1 13 13 MET HG3 H 1 2.60 0.01 . 1 . . . . 13 MET HG3 . 7087 1 45 . 1 1 13 13 MET HE1 H 1 1.95 0.01 . 1 . . . . 13 MET HE . 7087 1 46 . 1 1 13 13 MET HE2 H 1 1.95 0.01 . 1 . . . . 13 MET HE . 7087 1 47 . 1 1 13 13 MET HE3 H 1 1.95 0.01 . 1 . . . . 13 MET HE . 7087 1 48 . 1 1 13 13 MET C C 13 177.8 0.2 . 1 . . . . 13 MET C . 7087 1 49 . 1 1 13 13 MET CA C 13 54.8 0.2 . 1 . . . . 13 MET CA . 7087 1 50 . 1 1 13 13 MET CB C 13 31.3 0.2 . 1 . . . . 13 MET CB . 7087 1 51 . 1 1 13 13 MET CG C 13 31.7 0.2 . 1 . . . . 13 MET CG . 7087 1 52 . 1 1 13 13 MET N N 15 120.1 0.1 . 1 . . . . 13 MET N . 7087 1 53 . 1 1 14 14 CYS H H 1 9.54 0.01 . 1 . . . . 14 CYS H . 7087 1 54 . 1 1 14 14 CYS HA H 1 4.72 0.01 . 1 . . . . 14 CYS HA . 7087 1 55 . 1 1 14 14 CYS HB2 H 1 2.96 0.01 . 1 . . . . 14 CYS HB2 . 7087 1 56 . 1 1 14 14 CYS HB3 H 1 2.42 0.01 . 1 . . . . 14 CYS HB3 . 7087 1 57 . 1 1 14 14 CYS CA C 13 56.6 0.2 . 1 . . . . 14 CYS CA . 7087 1 58 . 1 1 14 14 CYS CB C 13 39.9 0.2 . 1 . . . . 14 CYS CB . 7087 1 59 . 1 1 14 14 CYS N N 15 123.5 0.1 . 1 . . . . 14 CYS N . 7087 1 60 . 1 1 15 15 SER HA H 1 4.60 0.01 . 1 . . . . 15 SER HA . 7087 1 61 . 1 1 15 15 SER HB2 H 1 4.02 0.01 . 2 . . . . 15 SER HB2 . 7087 1 62 . 1 1 15 15 SER HB3 H 1 3.86 0.01 . 2 . . . . 15 SER HB3 . 7087 1 63 . 1 1 15 15 SER CA C 13 58.5 0.2 . 1 . . . . 15 SER CA . 7087 1 64 . 1 1 15 15 SER CB C 13 64.8 0.2 . 1 . . . . 15 SER CB . 7087 1 65 . 1 1 16 16 GLY H H 1 8.11 0.01 . 1 . . . . 16 GLY H . 7087 1 66 . 1 1 16 16 GLY HA2 H 1 4.47 0.01 . 2 . . . . 16 GLY HA2 . 7087 1 67 . 1 1 16 16 GLY HA3 H 1 3.64 0.01 . 2 . . . . 16 GLY HA3 . 7087 1 68 . 1 1 16 16 GLY C C 13 172.4 0.2 . 1 . . . . 16 GLY C . 7087 1 69 . 1 1 16 16 GLY CA C 13 44.5 0.2 . 1 . . . . 16 GLY CA . 7087 1 70 . 1 1 16 16 GLY N N 15 110.4 0.1 . 1 . . . . 16 GLY N . 7087 1 71 . 1 1 17 17 LYS H H 1 8.03 0.01 . 1 . . . . 17 LYS H . 7087 1 72 . 1 1 17 17 LYS HA H 1 4.37 0.01 . 1 . . . . 17 LYS HA . 7087 1 73 . 1 1 17 17 LYS HB2 H 1 1.69 0.01 . 2 . . . . 17 LYS HB2 . 7087 1 74 . 1 1 17 17 LYS HB3 H 1 1.61 0.01 . 2 . . . . 17 LYS HB3 . 7087 1 75 . 1 1 17 17 LYS HG2 H 1 1.47 0.01 . 2 . . . . 17 LYS HG2 . 7087 1 76 . 1 1 17 17 LYS HG3 H 1 1.32 0.01 . 2 . . . . 17 LYS HG3 . 7087 1 77 . 1 1 17 17 LYS HE2 H 1 2.94 0.01 . 1 . . . . 17 LYS HE2 . 7087 1 78 . 1 1 17 17 LYS C C 13 174.2 0.2 . 1 . . . . 17 LYS C . 7087 1 79 . 1 1 17 17 LYS CA C 13 56.5 0.2 . 1 . . . . 17 LYS CA . 7087 1 80 . 1 1 17 17 LYS CB C 13 34.5 0.2 . 1 . . . . 17 LYS CB . 7087 1 81 . 1 1 17 17 LYS CG C 13 25.3 0.2 . 1 . . . . 17 LYS CG . 7087 1 82 . 1 1 17 17 LYS CD C 13 29.2 0.2 . 1 . . . . 17 LYS CD . 7087 1 83 . 1 1 17 17 LYS N N 15 119.9 0.1 . 1 . . . . 17 LYS N . 7087 1 84 . 1 1 18 18 PHE H H 1 8.95 0.01 . 1 . . . . 18 PHE H . 7087 1 85 . 1 1 18 18 PHE HA H 1 5.43 0.01 . 1 . . . . 18 PHE HA . 7087 1 86 . 1 1 18 18 PHE HB2 H 1 2.79 0.01 . 1 . . . . 18 PHE HB2 . 7087 1 87 . 1 1 18 18 PHE HB3 H 1 2.79 0.01 . 1 . . . . 18 PHE HB3 . 7087 1 88 . 1 1 18 18 PHE HD1 H 1 7.19 0.01 . 1 . . . . 18 PHE HD1 . 7087 1 89 . 1 1 18 18 PHE HD2 H 1 7.19 0.01 . 1 . . . . 18 PHE HD2 . 7087 1 90 . 1 1 18 18 PHE HE1 H 1 7.25 0.01 . 1 . . . . 18 PHE HE1 . 7087 1 91 . 1 1 18 18 PHE HE2 H 1 7.25 0.01 . 1 . . . . 18 PHE HE2 . 7087 1 92 . 1 1 18 18 PHE HZ H 1 6.60 0.01 . 1 . . . . 18 PHE HZ . 7087 1 93 . 1 1 18 18 PHE C C 13 175.0 0.2 . 1 . . . . 18 PHE C . 7087 1 94 . 1 1 18 18 PHE CA C 13 56.7 0.2 . 1 . . . . 18 PHE CA . 7087 1 95 . 1 1 18 18 PHE CB C 13 43.1 0.2 . 1 . . . . 18 PHE CB . 7087 1 96 . 1 1 18 18 PHE CD1 C 13 132.8 0.2 . 1 . . . . 18 PHE CD1 . 7087 1 97 . 1 1 18 18 PHE CD2 C 13 132.8 0.2 . 1 . . . . 18 PHE CD2 . 7087 1 98 . 1 1 18 18 PHE CE1 C 13 131.3 0.2 . 1 . . . . 18 PHE CE1 . 7087 1 99 . 1 1 18 18 PHE CE2 C 13 131.3 0.2 . 1 . . . . 18 PHE CE2 . 7087 1 100 . 1 1 18 18 PHE CZ C 13 131.1 0.2 . 1 . . . . 18 PHE CZ . 7087 1 101 . 1 1 18 18 PHE N N 15 120.4 0.1 . 1 . . . . 18 PHE N . 7087 1 102 . 1 1 19 19 SER H H 1 9.31 0.01 . 1 . . . . 19 SER H . 7087 1 103 . 1 1 19 19 SER HA H 1 4.80 0.01 . 1 . . . . 19 SER HA . 7087 1 104 . 1 1 19 19 SER HB2 H 1 3.83 0.01 . 1 . . . . 19 SER HB2 . 7087 1 105 . 1 1 19 19 SER HB3 H 1 3.75 0.01 . 1 . . . . 19 SER HB3 . 7087 1 106 . 1 1 19 19 SER C C 13 173.8 0.2 . 1 . . . . 19 SER C . 7087 1 107 . 1 1 19 19 SER CA C 13 56.5 0.2 . 1 . . . . 19 SER CA . 7087 1 108 . 1 1 19 19 SER CB C 13 66.2 0.2 . 1 . . . . 19 SER CB . 7087 1 109 . 1 1 19 19 SER N N 15 113.2 0.1 . 1 . . . . 19 SER N . 7087 1 110 . 1 1 20 20 ILE H H 1 8.83 0.01 . 1 . . . . 20 ILE H . 7087 1 111 . 1 1 20 20 ILE HA H 1 4.30 0.01 . 1 . . . . 20 ILE HA . 7087 1 112 . 1 1 20 20 ILE HB H 1 1.97 0.01 . 1 . . . . 20 ILE HB . 7087 1 113 . 1 1 20 20 ILE HG12 H 1 1.53 0.01 . 2 . . . . 20 ILE HG12 . 7087 1 114 . 1 1 20 20 ILE HG13 H 1 1.34 0.01 . 2 . . . . 20 ILE HG13 . 7087 1 115 . 1 1 20 20 ILE HG21 H 1 0.89 0.01 . 1 . . . . 20 ILE HG2 . 7087 1 116 . 1 1 20 20 ILE HG22 H 1 0.89 0.01 . 1 . . . . 20 ILE HG2 . 7087 1 117 . 1 1 20 20 ILE HG23 H 1 0.89 0.01 . 1 . . . . 20 ILE HG2 . 7087 1 118 . 1 1 20 20 ILE HD11 H 1 0.77 0.01 . 1 . . . . 20 ILE HD1 . 7087 1 119 . 1 1 20 20 ILE HD12 H 1 0.77 0.01 . 1 . . . . 20 ILE HD1 . 7087 1 120 . 1 1 20 20 ILE HD13 H 1 0.77 0.01 . 1 . . . . 20 ILE HD1 . 7087 1 121 . 1 1 20 20 ILE C C 13 175.7 0.2 . . . . . . 20 ILE C . 7087 1 122 . 1 1 20 20 ILE CA C 13 60.2 0.2 . 1 . . . . 20 ILE CA . 7087 1 123 . 1 1 20 20 ILE CB C 13 37.3 0.2 . 1 . . . . 20 ILE CB . 7087 1 124 . 1 1 20 20 ILE CG1 C 13 27.1 0.2 . 1 . . . . 20 ILE CG1 . 7087 1 125 . 1 1 20 20 ILE CG2 C 13 17.3 0.2 . 1 . . . . 20 ILE CG2 . 7087 1 126 . 1 1 20 20 ILE CD1 C 13 11.6 0.2 . 1 . . . . 20 ILE CD1 . 7087 1 127 . 1 1 20 20 ILE N N 15 120.9 0.1 . 1 . . . . 20 ILE N . 7087 1 128 . 1 1 21 21 ASP H H 1 8.78 0.01 . 1 . . . . 21 ASP H . 7087 1 129 . 1 1 21 21 ASP HA H 1 4.69 0.01 . 1 . . . . 21 ASP HA . 7087 1 130 . 1 1 21 21 ASP HB2 H 1 2.25 0.01 . 1 . . . . 21 ASP HB2 . 7087 1 131 . 1 1 21 21 ASP HB3 H 1 2.25 0.01 . 1 . . . . 21 ASP HB3 . 7087 1 132 . 1 1 21 21 ASP C C 13 175.4 0.02 . 1 . . . . 21 ASP C . 7087 1 133 . 1 1 21 21 ASP CA C 13 55.5 0.02 . 1 . . . . 21 ASP CA . 7087 1 134 . 1 1 21 21 ASP CB C 13 44.9 0.02 . 1 . . . . 21 ASP CB . 7087 1 135 . 1 1 21 21 ASP N N 15 129.9 0.1 . 1 . . . . 21 ASP N . 7087 1 136 . 1 1 22 22 LYS H H 1 7.75 . . . . . . . 22 LYS H . 7087 1 137 . 1 1 22 22 LYS HA H 1 4.39 0.01 . 1 . . . . 22 LYS HA . 7087 1 138 . 1 1 22 22 LYS HB2 H 1 1.73 0.01 . 1 . . . . 22 LYS HB2 . 7087 1 139 . 1 1 22 22 LYS HB3 H 1 1.73 0.01 . 1 . . . . 22 LYS HB3 . 7087 1 140 . 1 1 22 22 LYS HG2 H 1 1.50 0.01 . 1 . . . . 22 LYS HG2 . 7087 1 141 . 1 1 22 22 LYS HG3 H 1 1.50 0.01 . 1 . . . . 22 LYS HG3 . 7087 1 142 . 1 1 22 22 LYS HE2 H 1 2.98 0.01 . 1 . . . . 22 LYS HE2 . 7087 1 143 . 1 1 22 22 LYS HE3 H 1 2.98 0.01 . 1 . . . . 22 LYS HE3 . 7087 1 144 . 1 1 22 22 LYS C C 13 174.2 0.2 . 1 . . . . 22 LYS C . 7087 1 145 . 1 1 22 22 LYS CA C 13 55.7 0.2 . 1 . . . . 22 LYS CA . 7087 1 146 . 1 1 22 22 LYS CB C 13 34.7 0.2 . 1 . . . . 22 LYS CB . 7087 1 147 . 1 1 22 22 LYS CG C 13 24.4 0.2 . 1 . . . . 22 LYS CG . 7087 1 148 . 1 1 22 22 LYS CD C 13 32.4 0.2 . 1 . . . . 22 LYS CD . 7087 1 149 . 1 1 22 22 LYS CE C 13 42.2 0.2 . 1 . . . . 22 LYS CE . 7087 1 150 . 1 1 22 22 LYS N N 15 118.3 0.1 . 1 . . . . 22 LYS N . 7087 1 151 . 1 1 23 23 GLU H H 1 8.51 0.01 . 1 . . . . 23 GLU H . 7087 1 152 . 1 1 23 23 GLU HA H 1 4.03 0.01 . 1 . . . . 23 GLU HA . 7087 1 153 . 1 1 23 23 GLU HB2 H 1 2.01 0.01 . 2 . . . . 23 GLU HB2 . 7087 1 154 . 1 1 23 23 GLU HB3 H 1 2.39 0.01 . 2 . . . . 23 GLU HB3 . 7087 1 155 . 1 1 23 23 GLU HG2 H 1 1.87 0.01 . 2 . . . . 23 GLU HG2 . 7087 1 156 . 1 1 23 23 GLU HG3 H 1 2.16 0.01 . 2 . . . . 23 GLU HG3 . 7087 1 157 . 1 1 23 23 GLU C C 13 175.9 0.2 . 1 . . . . 23 GLU C . 7087 1 158 . 1 1 23 23 GLU CA C 13 56.8 0.2 . 1 . . . . 23 GLU CA . 7087 1 159 . 1 1 23 23 GLU CB C 13 29.9 0.2 . 1 . . . . 23 GLU CB . 7087 1 160 . 1 1 23 23 GLU CG C 13 36.0 0.2 . 1 . . . . 23 GLU CG . 7087 1 161 . 1 1 23 23 GLU N N 15 122.2 0.01 . 1 . . . . 23 GLU N . 7087 1 162 . 1 1 24 24 MET H H 1 8.74 0.01 . 1 . . . . 24 MET H . 7087 1 163 . 1 1 24 24 MET HA H 1 4.39 0.01 . 1 . . . . 24 MET HA . 7087 1 164 . 1 1 24 24 MET HB2 H 1 1.72 0.01 . 2 . . . . 24 MET HB2 . 7087 1 165 . 1 1 24 24 MET HB3 H 1 1.58 0.01 . 2 . . . . 24 MET HB3 . 7087 1 166 . 1 1 24 24 MET HG2 H 1 2.01 0.01 . 1 . . . . 24 MET HG2 . 7087 1 167 . 1 1 24 24 MET HG3 H 1 2.01 0.01 . 1 . . . . 24 MET HG3 . 7087 1 168 . 1 1 24 24 MET C C 13 174.7 0.2 . 1 . . . . 24 MET C . 7087 1 169 . 1 1 24 24 MET CA C 13 56.8 0.2 . 1 . . . . 24 MET CA . 7087 1 170 . 1 1 24 24 MET CB C 13 33.3 0.2 . 1 . . . . 24 MET CB . 7087 1 171 . 1 1 24 24 MET CG C 13 32.1 0.2 . 1 . . . . 24 MET CG . 7087 1 172 . 1 1 24 24 MET N N 15 123.5 0.1 . 1 . . . . 24 MET N . 7087 1 173 . 1 1 25 25 ALA H H 1 8.17 0.01 . 1 . . . . 25 ALA H . 7087 1 174 . 1 1 25 25 ALA HA H 1 4.83 0.01 . 1 . . . . 25 ALA HA . 7087 1 175 . 1 1 25 25 ALA HB1 H 1 1.37 0.01 . 1 . . . . 25 ALA HB . 7087 1 176 . 1 1 25 25 ALA HB2 H 1 1.37 0.01 . 1 . . . . 25 ALA HB . 7087 1 177 . 1 1 25 25 ALA HB3 H 1 1.37 0.01 . 1 . . . . 25 ALA HB . 7087 1 178 . 1 1 25 25 ALA C C 13 175.8 0.2 . 1 . . . . 25 ALA C . 7087 1 179 . 1 1 25 25 ALA CA C 13 51.0 0.2 . 1 . . . . 25 ALA CA . 7087 1 180 . 1 1 25 25 ALA CB C 13 22.0 0.2 . 1 . . . . 25 ALA CB . 7087 1 181 . 1 1 25 25 ALA N N 15 125.3 0.2 . 1 . . . . 25 ALA N . 7087 1 182 . 1 1 26 26 GLU H H 1 8.91 0.01 . 1 . . . . 26 GLU H . 7087 1 183 . 1 1 26 26 GLU HA H 1 4.89 0.01 . 1 . . . . 26 GLU HA . 7087 1 184 . 1 1 26 26 GLU HB2 H 1 2.23 0.01 . 1 . . . . 26 GLU HB2 . 7087 1 185 . 1 1 26 26 GLU HB3 H 1 2.14 0.01 . 1 . . . . 26 GLU HB3 . 7087 1 186 . 1 1 26 26 GLU HG2 H 1 2.65 0.01 . 2 . . . . 26 GLU HG2 . 7087 1 187 . 1 1 26 26 GLU HG3 H 1 2.50 0.01 . 2 . . . . 26 GLU HG3 . 7087 1 188 . 1 1 26 26 GLU C C 13 177.8 0.2 . 1 . . . . 26 GLU C . 7087 1 189 . 1 1 26 26 GLU CA C 13 56.0 0.2 . 1 . . . . 26 GLU CA . 7087 1 190 . 1 1 26 26 GLU CB C 13 31.5 0.2 . 1 . . . . 26 GLU CB . 7087 1 191 . 1 1 26 26 GLU CG C 13 37.3 0.2 . 1 . . . . 26 GLU CG . 7087 1 192 . 1 1 26 26 GLU N N 15 121.7 0.1 . 1 . . . . 26 GLU N . 7087 1 193 . 1 1 27 27 THR H H 1 8.69 0.01 . 1 . . . . 27 THR H . 7087 1 194 . 1 1 27 27 THR HA H 1 4.50 0.01 . 1 . . . . 27 THR HA . 7087 1 195 . 1 1 27 27 THR HB H 1 4.31 0.01 . 1 . . . . 27 THR HB . 7087 1 196 . 1 1 27 27 THR HG21 H 1 0.98 0.01 . 1 . . . . 27 THR HG2 . 7087 1 197 . 1 1 27 27 THR HG22 H 1 0.98 0.01 . 1 . . . . 27 THR HG2 . 7087 1 198 . 1 1 27 27 THR HG23 H 1 0.98 0.01 . 1 . . . . 27 THR HG2 . 7087 1 199 . 1 1 27 27 THR CA C 13 60.1 0.2 . 1 . . . . 27 THR CA . 7087 1 200 . 1 1 27 27 THR CB C 13 71.7 0.2 . 1 . . . . 27 THR CB . 7087 1 201 . 1 1 27 27 THR N N 15 115.5 0.1 . 1 . . . . 27 THR N . 7087 1 202 . 1 1 28 28 GLN HA H 1 4.23 0.01 . 1 . . . . 28 GLN HA . 7087 1 203 . 1 1 28 28 GLN HB2 H 1 2.12 0.01 . 2 . . . . 28 GLN HB2 . 7087 1 204 . 1 1 28 28 GLN HB3 H 1 1.99 0.01 . 2 . . . . 28 GLN HB3 . 7087 1 205 . 1 1 28 28 GLN HG2 H 1 2.25 0.01 . 1 . . . . 28 GLN HG2 . 7087 1 206 . 1 1 28 28 GLN HG3 H 1 2.25 0.01 . 1 . . . . 28 GLN HG3 . 7087 1 207 . 1 1 28 28 GLN HE21 H 1 7.54 0.01 . 1 . . . . 28 GLN HE21 . 7087 1 208 . 1 1 28 28 GLN HE22 H 1 6.85 0.01 . 1 . . . . 28 GLN HE22 . 7087 1 209 . 1 1 28 28 GLN C C 13 176.0 0.2 . 1 . . . . 28 GLN C . 7087 1 210 . 1 1 28 28 GLN CA C 13 57.3 0.2 . 1 . . . . 28 GLN CA . 7087 1 211 . 1 1 28 28 GLN CB C 13 27.9 0.2 . 1 . . . . 28 GLN CB . 7087 1 212 . 1 1 28 28 GLN CG C 13 33.6 0.2 . 1 . . . . 28 GLN CG . 7087 1 213 . 1 1 29 29 HIS H H 1 7.62 0.01 . 1 . . . . 29 HIS H . 7087 1 214 . 1 1 29 29 HIS HA H 1 4.86 0.01 . 1 . . . . 29 HIS HA . 7087 1 215 . 1 1 29 29 HIS HB2 H 1 3.12 0.01 . 2 . . . . 29 HIS HB2 . 7087 1 216 . 1 1 29 29 HIS HB3 H 1 3.03 0.01 . 2 . . . . 29 HIS HB3 . 7087 1 217 . 1 1 29 29 HIS HD2 H 1 6.87 0.01 . 1 . . . . 29 HIS HD2 . 7087 1 218 . 1 1 29 29 HIS HE1 H 1 7.70 0.01 . 1 . . . . 29 HIS HE1 . 7087 1 219 . 1 1 29 29 HIS C C 13 175.8 0.2 . 1 . . . . 29 HIS C . 7087 1 220 . 1 1 29 29 HIS CA C 13 55.2 0.2 . 1 . . . . 29 HIS CA . 7087 1 221 . 1 1 29 29 HIS CB C 13 29.5 0.2 . 1 . . . . 29 HIS CB . 7087 1 222 . 1 1 29 29 HIS CD2 C 13 119.3 0.2 . 1 . . . . 29 HIS CD2 . 7087 1 223 . 1 1 29 29 HIS CE1 C 13 138.8 0.2 . 1 . . . . 29 HIS CE1 . 7087 1 224 . 1 1 29 29 HIS N N 15 115.0 0.1 . 1 . . . . 29 HIS N . 7087 1 225 . 1 1 30 30 GLY H H 1 7.80 0.01 . 1 . . . . 30 GLY H . 7087 1 226 . 1 1 30 30 GLY HA2 H 1 4.11 0.01 . 2 . . . . 30 GLY HA2 . 7087 1 227 . 1 1 30 30 GLY HA3 H 1 3.74 0.01 . 2 . . . . 30 GLY HA3 . 7087 1 228 . 1 1 30 30 GLY C C 13 174.5 0.2 . 1 . . . . 30 GLY C . 7087 1 229 . 1 1 30 30 GLY CA C 13 46.2 0.2 . 1 . . . . 30 GLY CA . 7087 1 230 . 1 1 30 30 GLY N N 15 108.1 0.1 . 1 . . . . 30 GLY N . 7087 1 231 . 1 1 31 31 THR H H 1 6.85 0.01 . 1 . . . . 31 THR H . 7087 1 232 . 1 1 31 31 THR HA H 1 4.66 0.01 . 1 . . . . 31 THR HA . 7087 1 233 . 1 1 31 31 THR HB H 1 4.51 0.01 . 1 . . . . 31 THR HB . 7087 1 234 . 1 1 31 31 THR HG21 H 1 0.99 0.01 . 1 . . . . 31 THR HG2 . 7087 1 235 . 1 1 31 31 THR HG22 H 1 0.99 0.01 . 1 . . . . 31 THR HG2 . 7087 1 236 . 1 1 31 31 THR HG23 H 1 0.99 0.01 . 1 . . . . 31 THR HG2 . 7087 1 237 . 1 1 31 31 THR C C 13 173.2 0.2 . 1 . . . . 31 THR C . 7087 1 238 . 1 1 31 31 THR CA C 13 59.5 0.2 . 1 . . . . 31 THR CA . 7087 1 239 . 1 1 31 31 THR CB C 13 70.5 0.2 . 1 . . . . 31 THR CB . 7087 1 240 . 1 1 31 31 THR CG2 C 13 22.9 0.2 . 1 . . . . 31 THR CG2 . 7087 1 241 . 1 1 31 31 THR N N 15 108.6 0.1 . 1 . . . . 31 THR N . 7087 1 242 . 1 1 32 32 THR H H 1 8.95 0.01 . 1 . . . . 32 THR H . 7087 1 243 . 1 1 32 32 THR HA H 1 5.09 0.01 . 1 . . . . 32 THR HA . 7087 1 244 . 1 1 32 32 THR HB H 1 3.22 0.01 . 1 . . . . 32 THR HB . 7087 1 245 . 1 1 32 32 THR HG21 H 1 0.17 0.01 . 1 . . . . 32 THR HG2 . 7087 1 246 . 1 1 32 32 THR HG22 H 1 0.17 0.01 . 1 . . . . 32 THR HG2 . 7087 1 247 . 1 1 32 32 THR HG23 H 1 0.17 0.01 . 1 . . . . 32 THR HG2 . 7087 1 248 . 1 1 32 32 THR C C 13 172.8 0.2 . 1 . . . . 32 THR C . 7087 1 249 . 1 1 32 32 THR CA C 13 59.8 0.2 . 1 . . . . 32 THR CA . 7087 1 250 . 1 1 32 32 THR CB C 13 71.1 0.2 . 1 . . . . 32 THR CB . 7087 1 251 . 1 1 32 32 THR CG2 C 13 21.6 0.2 . 1 . . . . 32 THR CG2 . 7087 1 252 . 1 1 32 32 THR N N 15 112.4 0.1 . 1 . . . . 32 THR N . 7087 1 253 . 1 1 33 33 VAL H H 1 8.71 0.01 . 1 . . . . 33 VAL H . 7087 1 254 . 1 1 33 33 VAL HA H 1 5.21 0.01 . 1 . . . . 33 VAL HA . 7087 1 255 . 1 1 33 33 VAL HB H 1 1.77 0.01 . 1 . . . . 33 VAL HB . 7087 1 256 . 1 1 33 33 VAL HG11 H 1 0.69 0.01 . 2 . . . . 33 VAL HG1 . 7087 1 257 . 1 1 33 33 VAL HG12 H 1 0.69 0.01 . 2 . . . . 33 VAL HG1 . 7087 1 258 . 1 1 33 33 VAL HG13 H 1 0.69 0.01 . 2 . . . . 33 VAL HG1 . 7087 1 259 . 1 1 33 33 VAL HG21 H 1 0.72 0.01 . 2 . . . . 33 VAL HG2 . 7087 1 260 . 1 1 33 33 VAL HG22 H 1 0.72 0.01 . 2 . . . . 33 VAL HG2 . 7087 1 261 . 1 1 33 33 VAL HG23 H 1 0.72 0.01 . 2 . . . . 33 VAL HG2 . 7087 1 262 . 1 1 33 33 VAL C C 13 175.1 0.2 . 1 . . . . 33 VAL C . 7087 1 263 . 1 1 33 33 VAL CA C 13 59.8 0.2 . 1 . . . . 33 VAL CA . 7087 1 264 . 1 1 33 33 VAL CB C 13 34.8 0.2 . 1 . . . . 33 VAL CB . 7087 1 265 . 1 1 33 33 VAL CG1 C 13 20.8 0.2 . 1 . . . . 33 VAL CG1 . 7087 1 266 . 1 1 33 33 VAL CG2 C 13 20.8 0.2 . 1 . . . . 33 VAL CG2 . 7087 1 267 . 1 1 33 33 VAL N N 15 120.4 0.1 . 1 . . . . 33 VAL N . 7087 1 268 . 1 1 34 34 VAL H H 1 8.88 0.01 . . . . . . 34 VAL H . 7087 1 269 . 1 1 34 34 VAL HA H 1 4.44 0.01 . 1 . . . . 34 VAL HA . 7087 1 270 . 1 1 34 34 VAL HB H 1 1.66 0.01 . 1 . . . . 34 VAL HB . 7087 1 271 . 1 1 34 34 VAL HG11 H 1 0.87 0.01 . 2 . . . . 34 VAL HG1 . 7087 1 272 . 1 1 34 34 VAL HG12 H 1 0.87 0.01 . 2 . . . . 34 VAL HG1 . 7087 1 273 . 1 1 34 34 VAL HG13 H 1 0.87 0.01 . 2 . . . . 34 VAL HG1 . 7087 1 274 . 1 1 34 34 VAL HG21 H 1 0.60 0.01 . 2 . . . . 34 VAL HG2 . 7087 1 275 . 1 1 34 34 VAL HG22 H 1 0.60 0.01 . 2 . . . . 34 VAL HG2 . 7087 1 276 . 1 1 34 34 VAL HG23 H 1 0.60 0.01 . 2 . . . . 34 VAL HG2 . 7087 1 277 . 1 1 34 34 VAL C C 13 171.5 0.2 . 1 . . . . 34 VAL C . 7087 1 278 . 1 1 34 34 VAL CA C 13 59.4 0.2 . 1 . . . . 34 VAL CA . 7087 1 279 . 1 1 34 34 VAL CB C 13 35.2 0.2 . 1 . . . . 34 VAL CB . 7087 1 280 . 1 1 34 34 VAL CG1 C 13 21.4 0.2 . 2 . . . . 34 VAL CG1 . 7087 1 281 . 1 1 34 34 VAL CG2 C 13 19.3 0.2 . 2 . . . . 34 VAL CG2 . 7087 1 282 . 1 1 34 34 VAL N N 15 126.6 0.1 . 1 . . . . 34 VAL N . 7087 1 283 . 1 1 35 35 LYS H H 1 8.01 0.01 . 1 . . . . 35 LYS H . 7087 1 284 . 1 1 35 35 LYS HA H 1 5.40 0.01 . 1 . . . . 35 LYS HA . 7087 1 285 . 1 1 35 35 LYS HB2 H 1 1.76 0.01 . 2 . . . . 35 LYS HB2 . 7087 1 286 . 1 1 35 35 LYS HB3 H 1 1.59 0.01 . 2 . . . . 35 LYS HB3 . 7087 1 287 . 1 1 35 35 LYS HG2 H 1 1.27 0.01 . 2 . . . . 35 LYS HG2 . 7087 1 288 . 1 1 35 35 LYS HG3 H 1 1.36 0.01 . 2 . . . . 35 LYS HG3 . 7087 1 289 . 1 1 35 35 LYS HD2 H 1 1.57 0.01 . 1 . . . . 35 LYS HD2 . 7087 1 290 . 1 1 35 35 LYS HD3 H 1 1.57 0.01 . 1 . . . . 35 LYS HD3 . 7087 1 291 . 1 1 35 35 LYS HE2 H 1 2.85 0.01 . 1 . . . . 35 LYS HE2 . 7087 1 292 . 1 1 35 35 LYS HE3 H 1 2.85 0.01 . 1 . . . . 35 LYS HE3 . 7087 1 293 . 1 1 35 35 LYS C C 13 176.6 0.2 . 1 . . . . 35 LYS C . 7087 1 294 . 1 1 35 35 LYS CA C 13 55.0 0.2 . 1 . . . . 35 LYS CA . 7087 1 295 . 1 1 35 35 LYS CB C 13 34.7 0.2 . 1 . . . . 35 LYS CB . 7087 1 296 . 1 1 35 35 LYS CG C 13 24.9 0.2 . 1 . . . . 35 LYS CG . 7087 1 297 . 1 1 35 35 LYS CD C 13 29.3 0.2 . 1 . . . . 35 LYS CD . 7087 1 298 . 1 1 35 35 LYS CE C 13 42.2 0.2 . 1 . . . . 35 LYS CE . 7087 1 299 . 1 1 35 35 LYS N N 15 125.5 0.1 . 1 . . . . 35 LYS N . 7087 1 300 . 1 1 36 36 VAL H H 1 8.70 0.01 . 1 . . . . 36 VAL H . 7087 1 301 . 1 1 36 36 VAL HA H 1 5.20 0.01 . 1 . . . . 36 VAL HA . 7087 1 302 . 1 1 36 36 VAL HB H 1 2.24 0.01 . 1 . . . . 36 VAL HB . 7087 1 303 . 1 1 36 36 VAL HG11 H 1 0.83 0.01 . 2 . . . . 36 VAL HG1 . 7087 1 304 . 1 1 36 36 VAL HG12 H 1 0.83 0.01 . 2 . . . . 36 VAL HG1 . 7087 1 305 . 1 1 36 36 VAL HG13 H 1 0.83 0.01 . 2 . . . . 36 VAL HG1 . 7087 1 306 . 1 1 36 36 VAL HG21 H 1 0.76 0.01 . 2 . . . . 36 VAL HG2 . 7087 1 307 . 1 1 36 36 VAL HG22 H 1 0.76 0.01 . 2 . . . . 36 VAL HG2 . 7087 1 308 . 1 1 36 36 VAL HG23 H 1 0.76 0.01 . 2 . . . . 36 VAL HG2 . 7087 1 309 . 1 1 36 36 VAL C C 13 173.2 0.2 . 1 . . . . 36 VAL C . 7087 1 310 . 1 1 36 36 VAL CA C 13 58.5 0.2 . 1 . . . . 36 VAL CA . 7087 1 311 . 1 1 36 36 VAL CB C 13 34.6 0.2 . 1 . . . . 36 VAL CB . 7087 1 312 . 1 1 36 36 VAL CG1 C 13 22.4 0.2 . 2 . . . . 36 VAL CG1 . 7087 1 313 . 1 1 36 36 VAL CG2 C 13 19.0 0.2 . 2 . . . . 36 VAL CG2 . 7087 1 314 . 1 1 36 36 VAL N N 15 116.8 0.1 . 1 . . . . 36 VAL N . 7087 1 315 . 1 1 37 37 LYS H H 1 9.48 0.01 . 1 . . . . 37 LYS H . 7087 1 316 . 1 1 37 37 LYS HA H 1 5.20 0.01 . 1 . . . . 37 LYS HA . 7087 1 317 . 1 1 37 37 LYS HB2 H 1 1.95 0.01 . 1 . . . . 37 LYS HB2 . 7087 1 318 . 1 1 37 37 LYS HB3 H 1 1.95 0.01 . 1 . . . . 37 LYS HB3 . 7087 1 319 . 1 1 37 37 LYS HG2 H 1 1.01 0.01 . 2 . . . . 37 LYS HG2 . 7087 1 320 . 1 1 37 37 LYS HG3 H 1 1.11 0.01 . 2 . . . . 37 LYS HG3 . 7087 1 321 . 1 1 37 37 LYS HD2 H 1 1.52 0.01 . 2 . . . . 37 LYS HD2 . 7087 1 322 . 1 1 37 37 LYS HD3 H 1 1.39 0.01 . 2 . . . . 37 LYS HD3 . 7087 1 323 . 1 1 37 37 LYS C C 13 175.2 0.2 . 1 . . . . 37 LYS C . 7087 1 324 . 1 1 37 37 LYS CA C 13 54.3 0.2 . 1 . . . . 37 LYS CA . 7087 1 325 . 1 1 37 37 LYS CB C 13 35.0 0.2 . 1 . . . . 37 LYS CB . 7087 1 326 . 1 1 37 37 LYS CG C 13 24.6 0.2 . 1 . . . . 37 LYS CG . 7087 1 327 . 1 1 37 37 LYS CD C 13 29.0 0.2 . 1 . . . . 37 LYS CD . 7087 1 328 . 1 1 37 37 LYS N N 15 125.5 0.1 . 1 . . . . 37 LYS N . 7087 1 329 . 1 1 38 38 TYR H H 1 8.70 0.01 . 1 . . . . 38 TYR H . 7087 1 330 . 1 1 38 38 TYR HA H 1 4.45 0.01 . 1 . . . . 38 TYR HA . 7087 1 331 . 1 1 38 38 TYR HB2 H 1 2.95 0.01 . 2 . . . . 38 TYR HB2 . 7087 1 332 . 1 1 38 38 TYR HB3 H 1 2.73 0.01 . 2 . . . . 38 TYR HB3 . 7087 1 333 . 1 1 38 38 TYR HD1 H 1 7.06 0.01 . 1 . . . . 38 TYR HD1 . 7087 1 334 . 1 1 38 38 TYR HD2 H 1 7.06 0.01 . 1 . . . . 38 TYR HD2 . 7087 1 335 . 1 1 38 38 TYR HE1 H 1 6.76 0.01 . 1 . . . . 38 TYR HE1 . 7087 1 336 . 1 1 38 38 TYR HE2 H 1 6.76 0.01 . 1 . . . . 38 TYR HE2 . 7087 1 337 . 1 1 38 38 TYR C C 13 175.2 0.2 . 1 . . . . 38 TYR C . 7087 1 338 . 1 1 38 38 TYR CA C 13 56.2 0.2 . 1 . . . . 38 TYR CA . 7087 1 339 . 1 1 38 38 TYR CB C 13 38.7 0.2 . 1 . . . . 38 TYR CB . 7087 1 340 . 1 1 38 38 TYR CD1 C 13 133.7 0.2 . 1 . . . . 38 TYR CD1 . 7087 1 341 . 1 1 38 38 TYR CD2 C 13 133.7 0.2 . 1 . . . . 38 TYR CD2 . 7087 1 342 . 1 1 38 38 TYR CE1 C 13 118.5 0.2 . 1 . . . . 38 TYR CE1 . 7087 1 343 . 1 1 38 38 TYR CE2 C 13 118.5 0.2 . 1 . . . . 38 TYR CE2 . 7087 1 344 . 1 1 38 38 TYR N N 15 126.4 0.1 . 1 . . . . 38 TYR N . 7087 1 345 . 1 1 39 39 GLU H H 1 8.33 0.01 . 1 . . . . 39 GLU H . 7087 1 346 . 1 1 39 39 GLU HA H 1 4.31 0.01 . 1 . . . . 39 GLU HA . 7087 1 347 . 1 1 39 39 GLU HB2 H 1 1.95 0.01 . 1 . . . . 39 GLU HB2 . 7087 1 348 . 1 1 39 39 GLU HB3 H 1 1.95 0.01 . 1 . . . . 39 GLU HB3 . 7087 1 349 . 1 1 39 39 GLU HG2 H 1 1.35 0.01 . 1 . . . . 39 GLU HG2 . 7087 1 350 . 1 1 39 39 GLU HG3 H 1 1.35 0.01 . 1 . . . . 39 GLU HG3 . 7087 1 351 . 1 1 39 39 GLU CA C 13 55.6 0.2 . 1 . . . . 39 GLU CA . 7087 1 352 . 1 1 39 39 GLU CB C 13 30.3 0.2 . 1 . . . . 39 GLU CB . 7087 1 353 . 1 1 39 39 GLU N N 15 126.0 0.1 . 1 . . . . 39 GLU N . 7087 1 354 . 1 1 40 40 GLY HA2 H 1 4.13 0.01 . 2 . . . . 40 GLY HA2 . 7087 1 355 . 1 1 40 40 GLY HA3 H 1 3.01 0.01 . 2 . . . . 40 GLY HA3 . 7087 1 356 . 1 1 40 40 GLY C C 13 170.6 0.2 . 1 . . . . 40 GLY C . 7087 1 357 . 1 1 40 40 GLY CA C 13 44.8 0.2 . 1 . . . . 40 GLY CA . 7087 1 358 . 1 1 41 41 ALA H H 1 8.39 0.01 . 1 . . . . 41 ALA H . 7087 1 359 . 1 1 41 41 ALA HA H 1 4.72 0.01 . 1 . . . . 41 ALA HA . 7087 1 360 . 1 1 41 41 ALA HB1 H 1 1.38 0.01 . 1 . . . . 41 ALA HB . 7087 1 361 . 1 1 41 41 ALA HB2 H 1 1.38 0.01 . 1 . . . . 41 ALA HB . 7087 1 362 . 1 1 41 41 ALA HB3 H 1 1.38 0.01 . 1 . . . . 41 ALA HB . 7087 1 363 . 1 1 41 41 ALA CA C 13 50.4 0.2 . 1 . . . . 41 ALA CA . 7087 1 364 . 1 1 41 41 ALA CB C 13 20.6 0.2 . 1 . . . . 41 ALA CB . 7087 1 365 . 1 1 41 41 ALA N N 15 121.2 0.1 . 1 . . . . 41 ALA N . 7087 1 366 . 1 1 42 42 GLY HA2 H 1 3.90 0.01 . 2 . . . . 42 GLY HA2 . 7087 1 367 . 1 1 42 42 GLY HA3 H 1 3.79 0.01 . 2 . . . . 42 GLY HA3 . 7087 1 368 . 1 1 42 42 GLY CA C 13 46.4 0.2 . 1 . . . . 42 GLY CA . 7087 1 369 . 1 1 43 43 ALA H H 1 8.326 0.01 . 1 . . . . 43 ALA H . 7087 1 370 . 1 1 43 43 ALA HA H 1 4.05 0.01 . 1 . . . . 43 ALA HA . 7087 1 371 . 1 1 43 43 ALA HB1 H 1 1.10 0.01 . 9 . . . . 43 ALA HB . 7087 1 372 . 1 1 43 43 ALA HB2 H 1 1.10 0.01 . 9 . . . . 43 ALA HB . 7087 1 373 . 1 1 43 43 ALA HB3 H 1 1.10 0.01 . 9 . . . . 43 ALA HB . 7087 1 374 . 1 1 43 43 ALA CA C 13 50.7 0.2 . 1 . . . . 43 ALA CA . 7087 1 375 . 1 1 43 43 ALA CB C 13 16.7 0.2 . 1 . . . . 43 ALA CB . 7087 1 376 . 1 1 43 43 ALA N N 15 122.7 0.1 . 1 . . . . 43 ALA N . 7087 1 377 . 1 1 44 44 PRO HA H 1 5.20 0.01 . 1 . . . . 44 PRO HA . 7087 1 378 . 1 1 44 44 PRO HB2 H 1 2.26 0.01 . 2 . . . . 44 PRO HB2 . 7087 1 379 . 1 1 44 44 PRO HB3 H 1 2.07 0.01 . 2 . . . . 44 PRO HB3 . 7087 1 380 . 1 1 44 44 PRO HG2 H 1 1.98 0.01 . 2 . . . . 44 PRO HG2 . 7087 1 381 . 1 1 44 44 PRO HG3 H 1 1.59 0.01 . 2 . . . . 44 PRO HG3 . 7087 1 382 . 1 1 44 44 PRO HD2 H 1 3.65 0.01 . 2 . . . . 44 PRO HD2 . 7087 1 383 . 1 1 44 44 PRO HD3 H 1 3.51 0.01 . 2 . . . . 44 PRO HD3 . 7087 1 384 . 1 1 44 44 PRO C C 13 175.0 0.2 . 1 . . . . 44 PRO C . 7087 1 385 . 1 1 44 44 PRO CA C 13 61.1 0.2 . 1 . . . . 44 PRO CA . 7087 1 386 . 1 1 44 44 PRO CB C 13 34.3 0.2 . 1 . . . . 44 PRO CB . 7087 1 387 . 1 1 44 44 PRO CG C 13 25.3 0.2 . 1 . . . . 44 PRO CG . 7087 1 388 . 1 1 45 45 CYS H H 1 8.44 . . 1 . . . . 45 CYS H . 7087 1 389 . 1 1 45 45 CYS HA H 1 4.86 0.01 . 1 . . . . 45 CYS HA . 7087 1 390 . 1 1 45 45 CYS HB2 H 1 3.24 0.01 . 2 . . . . 45 CYS HB2 . 7087 1 391 . 1 1 45 45 CYS HB3 H 1 3.06 0.01 . 2 . . . . 45 CYS HB3 . 7087 1 392 . 1 1 45 45 CYS C C 13 171.9 0.2 . 1 . . . . 45 CYS C . 7087 1 393 . 1 1 45 45 CYS CA C 13 53.6 0.2 . 1 . . . . 45 CYS CA . 7087 1 394 . 1 1 45 45 CYS CB C 13 43.9 0.2 . 1 . . . . 45 CYS CB . 7087 1 395 . 1 1 45 45 CYS N N 15 117.0 0.1 . 1 . . . . 45 CYS N . 7087 1 396 . 1 1 46 46 LYS H H 1 9.09 0.01 . 1 . . . . 46 LYS H . 7087 1 397 . 1 1 46 46 LYS HA H 1 4.42 0.01 . 1 . . . . 46 LYS HA . 7087 1 398 . 1 1 46 46 LYS HB2 H 1 1.74 0.01 . 2 . . . . 46 LYS HB2 . 7087 1 399 . 1 1 46 46 LYS HB3 H 1 1.64 0.01 . 2 . . . . 46 LYS HB3 . 7087 1 400 . 1 1 46 46 LYS HG2 H 1 1.22 0.01 . 2 . . . . 46 LYS HG2 . 7087 1 401 . 1 1 46 46 LYS HG3 H 1 1.10 0.01 . 2 . . . . 46 LYS HG3 . 7087 1 402 . 1 1 46 46 LYS HD2 H 1 1.74 0.01 . 2 . . . . 46 LYS HD2 . 7087 1 403 . 1 1 46 46 LYS HD3 H 1 1.64 0.01 . 2 . . . . 46 LYS HD3 . 7087 1 404 . 1 1 46 46 LYS HE2 H 1 2.76 0.01 . 1 . . . . 46 LYS HE2 . 7087 1 405 . 1 1 46 46 LYS HE3 H 1 2.76 0.01 . 1 . . . . 46 LYS HE3 . 7087 1 406 . 1 1 46 46 LYS C C 13 175.1 0.2 . 1 . . . . 46 LYS C . 7087 1 407 . 1 1 46 46 LYS CA C 13 56.3 0.2 . 1 . . . . 46 LYS CA . 7087 1 408 . 1 1 46 46 LYS CB C 13 33.6 0.2 . 1 . . . . 46 LYS CB . 7087 1 409 . 1 1 46 46 LYS CG C 13 25.2 0.2 . 1 . . . . 46 LYS CG . 7087 1 410 . 1 1 46 46 LYS CD C 13 33.5 0.2 . 1 . . . . 46 LYS CD . 7087 1 411 . 1 1 46 46 LYS N N 15 120.4 0.1 . 1 . . . . 46 LYS N . 7087 1 412 . 1 1 47 47 VAL H H 1 8.19 0.01 . 1 . . . . 47 VAL H . 7087 1 413 . 1 1 47 47 VAL HA H 1 3.62 0.01 . 1 . . . . 47 VAL HA . 7087 1 414 . 1 1 47 47 VAL HB H 1 1.64 0.01 . 1 . . . . 47 VAL HB . 7087 1 415 . 1 1 47 47 VAL HG11 H 1 0.69 0.01 . 1 . . . . 47 VAL HG1 . 7087 1 416 . 1 1 47 47 VAL HG12 H 1 0.69 0.01 . 1 . . . . 47 VAL HG1 . 7087 1 417 . 1 1 47 47 VAL HG13 H 1 0.69 0.01 . 1 . . . . 47 VAL HG1 . 7087 1 418 . 1 1 47 47 VAL HG21 H 1 0.02 0.01 . 1 . . . . 47 VAL HG2 . 7087 1 419 . 1 1 47 47 VAL HG22 H 1 0.02 0.01 . 1 . . . . 47 VAL HG2 . 7087 1 420 . 1 1 47 47 VAL HG23 H 1 0.02 0.01 . 1 . . . . 47 VAL HG2 . 7087 1 421 . 1 1 47 47 VAL CA C 13 61.1 0.2 . 1 . . . . 47 VAL CA . 7087 1 422 . 1 1 47 47 VAL CB C 13 32.9 0.2 . 1 . . . . 47 VAL CB . 7087 1 423 . 1 1 47 47 VAL CG1 C 13 21.3 0.2 . 1 . . . . 47 VAL CG1 . 7087 1 424 . 1 1 47 47 VAL CG2 C 13 19.4 0.2 . 1 . . . . 47 VAL CG2 . 7087 1 425 . 1 1 47 47 VAL N N 15 126.3 0.1 . 1 . . . . 47 VAL N . 7087 1 426 . 1 1 48 48 PRO HA H 1 4.50 0.01 . 1 . . . . 48 PRO HA . 7087 1 427 . 1 1 48 48 PRO HB2 H 1 2.21 0.01 . 2 . . . . 48 PRO HB2 . 7087 1 428 . 1 1 48 48 PRO HB3 H 1 2.06 0.01 . 2 . . . . 48 PRO HB3 . 7087 1 429 . 1 1 48 48 PRO HG2 H 1 1.75 0.01 . 1 . . . . 48 PRO HG2 . 7087 1 430 . 1 1 48 48 PRO HG3 H 1 1.75 0.01 . 1 . . . . 48 PRO HG3 . 7087 1 431 . 1 1 48 48 PRO HD2 H 1 3.66 0.01 . 2 . . . . 48 PRO HD2 . 7087 1 432 . 1 1 48 48 PRO HD3 H 1 3.51 0.01 . 2 . . . . 48 PRO HD3 . 7087 1 433 . 1 1 48 48 PRO C C 13 175.0 0.2 . 1 . . . . 48 PRO C . 7087 1 434 . 1 1 48 48 PRO CA C 13 61.5 0.2 . 1 . . . . 48 PRO CA . 7087 1 435 . 1 1 48 48 PRO CB C 13 29.7 0.2 . 1 . . . . 48 PRO CB . 7087 1 436 . 1 1 48 48 PRO CG C 13 28.4 0.2 . 1 . . . . 48 PRO CG . 7087 1 437 . 1 1 49 49 ILE H H 1 7.87 0.01 . 1 . . . . 49 ILE H . 7087 1 438 . 1 1 49 49 ILE HA H 1 5.17 0.01 . 1 . . . . 49 ILE HA . 7087 1 439 . 1 1 49 49 ILE HB H 1 1.95 0.01 . 1 . . . . 49 ILE HB . 7087 1 440 . 1 1 49 49 ILE HG12 H 1 1.44 0.01 . 2 . . . . 49 ILE HG12 . 7087 1 441 . 1 1 49 49 ILE HG13 H 1 1.31 0.01 . 2 . . . . 49 ILE HG13 . 7087 1 442 . 1 1 49 49 ILE HG21 H 1 0.70 0.01 . 4 . . . . 49 ILE HG2 . 7087 1 443 . 1 1 49 49 ILE HG22 H 1 0.70 0.01 . 4 . . . . 49 ILE HG2 . 7087 1 444 . 1 1 49 49 ILE HG23 H 1 0.70 0.01 . 4 . . . . 49 ILE HG2 . 7087 1 445 . 1 1 49 49 ILE HD11 H 1 0.55 0.01 . 4 . . . . 49 ILE HD1 . 7087 1 446 . 1 1 49 49 ILE HD12 H 1 0.55 0.01 . 4 . . . . 49 ILE HD1 . 7087 1 447 . 1 1 49 49 ILE HD13 H 1 0.55 0.01 . 4 . . . . 49 ILE HD1 . 7087 1 448 . 1 1 49 49 ILE C C 13 175.9 0.2 . 1 . . . . 49 ILE C . 7087 1 449 . 1 1 49 49 ILE CA C 13 59.2 0.2 . 1 . . . . 49 ILE CA . 7087 1 450 . 1 1 49 49 ILE CB C 13 40.4 0.2 . 1 . . . . 49 ILE CB . 7087 1 451 . 1 1 49 49 ILE CG1 C 13 27.9 0.2 . 1 . . . . 49 ILE CG1 . 7087 1 452 . 1 1 49 49 ILE CG2 C 13 14.6 0.2 . 4 . . . . 49 ILE CG2 . 7087 1 453 . 1 1 49 49 ILE CD1 C 13 14.8 0.2 . 4 . . . . 49 ILE CD1 . 7087 1 454 . 1 1 49 49 ILE N N 15 125.0 0.1 . 1 . . . . 49 ILE N . 7087 1 455 . 1 1 50 50 GLU H H 1 8.50 0.01 . 1 . . . . 50 GLU H . 7087 1 456 . 1 1 50 50 GLU HA H 1 4.52 0.01 . 1 . . . . 50 GLU HA . 7087 1 457 . 1 1 50 50 GLU HB2 H 1 1.83 0.01 . 2 . . . . 50 GLU HB2 . 7087 1 458 . 1 1 50 50 GLU HB3 H 1 1.96 0.01 . 2 . . . . 50 GLU HB3 . 7087 1 459 . 1 1 50 50 GLU HG2 H 1 2.06 0.01 . 2 . . . . 50 GLU HG2 . 7087 1 460 . 1 1 50 50 GLU HG3 H 1 2.16 0.01 . 2 . . . . 50 GLU HG3 . 7087 1 461 . 1 1 50 50 GLU C C 13 172.9 0.2 . 1 . . . . 50 GLU C . 7087 1 462 . 1 1 50 50 GLU CA C 13 54.6 0.2 . 1 . . . . 50 GLU CA . 7087 1 463 . 1 1 50 50 GLU CB C 13 34.0 0.2 . 1 . . . . 50 GLU CB . 7087 1 464 . 1 1 50 50 GLU CG C 13 36.1 0.2 . 1 . . . . 50 GLU CG . 7087 1 465 . 1 1 50 50 GLU N N 15 124.5 0.1 . 1 . . . . 50 GLU N . 7087 1 466 . 1 1 51 51 ILE H H 1 8.78 0.01 . 1 . . . . 51 ILE H . 7087 1 467 . 1 1 51 51 ILE HA H 1 4.77 0.01 . 1 . . . . 51 ILE HA . 7087 1 468 . 1 1 51 51 ILE HB H 1 1.96 0.01 . 1 . . . . 51 ILE HB . 7087 1 469 . 1 1 51 51 ILE HG12 H 1 1.46 0.01 . 1 . . . . 51 ILE HG12 . 7087 1 470 . 1 1 51 51 ILE HG13 H 1 1.46 0.01 . 1 . . . . 51 ILE HG13 . 7087 1 471 . 1 1 51 51 ILE HG21 H 1 0.70 0.01 . 1 . . . . 51 ILE HG2 . 7087 1 472 . 1 1 51 51 ILE HG22 H 1 0.70 0.01 . 1 . . . . 51 ILE HG2 . 7087 1 473 . 1 1 51 51 ILE HG23 H 1 0.70 0.01 . 1 . . . . 51 ILE HG2 . 7087 1 474 . 1 1 51 51 ILE HD11 H 1 0.62 0.01 . 1 . . . . 51 ILE HD1 . 7087 1 475 . 1 1 51 51 ILE HD12 H 1 0.62 0.01 . 1 . . . . 51 ILE HD1 . 7087 1 476 . 1 1 51 51 ILE HD13 H 1 0.62 0.01 . 1 . . . . 51 ILE HD1 . 7087 1 477 . 1 1 51 51 ILE C C 13 175.4 0.2 . 1 . . . . 51 ILE C . 7087 1 478 . 1 1 51 51 ILE CA C 13 60.5 0.2 . 1 . . . . 51 ILE CA . 7087 1 479 . 1 1 51 51 ILE CB C 13 37.2 0.2 . 1 . . . . 51 ILE CB . 7087 1 480 . 1 1 51 51 ILE CG2 C 13 17.9 0.2 . 1 . . . . 51 ILE CG2 . 7087 1 481 . 1 1 51 51 ILE CD1 C 13 11.3 0.2 . 1 . . . . 51 ILE CD1 . 7087 1 482 . 1 1 51 51 ILE N N 15 123.0 0.1 . 1 . . . . 51 ILE N . 7087 1 483 . 1 1 52 52 ARG H H 1 9.67 0.01 . 1 . . . . 52 ARG H . 7087 1 484 . 1 1 52 52 ARG HA H 1 5.60 0.01 . 1 . . . . 52 ARG HA . 7087 1 485 . 1 1 52 52 ARG HB2 H 1 1.70 0.01 . 1 . . . . 52 ARG HB2 . 7087 1 486 . 1 1 52 52 ARG HB3 H 1 1.70 0.01 . 1 . . . . 52 ARG HB3 . 7087 1 487 . 1 1 52 52 ARG HG2 H 1 1.52 0.01 . 1 . . . . 52 ARG HG2 . 7087 1 488 . 1 1 52 52 ARG HG3 H 1 1.35 0.01 . 1 . . . . 52 ARG HG3 . 7087 1 489 . 1 1 52 52 ARG C C 13 175.2 0.2 . 1 . . . . 52 ARG C . 7087 1 490 . 1 1 52 52 ARG CA C 13 53.6 0.2 . 1 . . . . 52 ARG CA . 7087 1 491 . 1 1 52 52 ARG CB C 13 35.2 0.2 . 1 . . . . 52 ARG CB . 7087 1 492 . 1 1 52 52 ARG CG C 13 28.0 0.2 . 1 . . . . 52 ARG CG . 7087 1 493 . 1 1 52 52 ARG N N 15 125.0 0.1 . 1 . . . . 52 ARG N . 7087 1 494 . 1 1 53 53 ASP H H 1 8.52 0.01 . 1 . . . . 53 ASP H . 7087 1 495 . 1 1 53 53 ASP HA H 1 4.62 0.01 . 1 . . . . 53 ASP HA . 7087 1 496 . 1 1 53 53 ASP HB2 H 1 3.35 0.01 . 2 . . . . 53 ASP HB2 . 7087 1 497 . 1 1 53 53 ASP HB3 H 1 2.66 0.01 . 2 . . . . 53 ASP HB3 . 7087 1 498 . 1 1 53 53 ASP C C 13 177.1 0.2 . 1 . . . . 53 ASP C . 7087 1 499 . 1 1 53 53 ASP CA C 13 52.8 0.2 . 1 . . . . 53 ASP CA . 7087 1 500 . 1 1 53 53 ASP CB C 13 41.6 0.2 . 1 . . . . 53 ASP CB . 7087 1 501 . 1 1 53 53 ASP N N 15 117.8 0.1 . 1 . . . . 53 ASP N . 7087 1 502 . 1 1 54 54 VAL H H 1 8.22 0.01 . 1 . . . . 54 VAL H . 7087 1 503 . 1 1 54 54 VAL HA H 1 3.90 0.01 . 1 . . . . 54 VAL HA . 7087 1 504 . 1 1 54 54 VAL HB H 1 2.22 0.01 . 1 . . . . 54 VAL HB . 7087 1 505 . 1 1 54 54 VAL HG11 H 1 1.06 0.01 . 2 . . . . 54 VAL HG1 . 7087 1 506 . 1 1 54 54 VAL HG12 H 1 1.06 0.01 . 2 . . . . 54 VAL HG1 . 7087 1 507 . 1 1 54 54 VAL HG13 H 1 1.06 0.01 . 2 . . . . 54 VAL HG1 . 7087 1 508 . 1 1 54 54 VAL HG21 H 1 0.95 0.01 . 2 . . . . 54 VAL HG2 . 7087 1 509 . 1 1 54 54 VAL HG22 H 1 0.95 0.01 . 2 . . . . 54 VAL HG2 . 7087 1 510 . 1 1 54 54 VAL HG23 H 1 0.95 0.01 . 2 . . . . 54 VAL HG2 . 7087 1 511 . 1 1 54 54 VAL C C 13 175.4 0.2 . 1 . . . . 54 VAL C . 7087 1 512 . 1 1 54 54 VAL CA C 13 64.5 0.2 . 1 . . . . 54 VAL CA . 7087 1 513 . 1 1 54 54 VAL CB C 13 31.4 0.2 . 1 . . . . 54 VAL CB . 7087 1 514 . 1 1 54 54 VAL CG1 C 13 21.5 0.2 . 2 . . . . 54 VAL CG1 . 7087 1 515 . 1 1 54 54 VAL CG2 C 13 19.5 0.2 . 2 . . . . 54 VAL CG2 . 7087 1 516 . 1 1 54 54 VAL N N 15 116.0 0.1 . 1 . . . . 54 VAL N . 7087 1 517 . 1 1 55 55 ASN H H 1 7.78 0.01 . 1 . . . . 55 ASN H . 7087 1 518 . 1 1 55 55 ASN HA H 1 4.82 0.01 . 1 . . . . 55 ASN HA . 7087 1 519 . 1 1 55 55 ASN HB2 H 1 2.92 0.01 . 2 . . . . 55 ASN HB2 . 7087 1 520 . 1 1 55 55 ASN HB3 H 1 2.77 0.01 . 2 . . . . 55 ASN HB3 . 7087 1 521 . 1 1 55 55 ASN HD21 H 1 7.91 0.01 . 1 . . . . 55 ASN HD21 . 7087 1 522 . 1 1 55 55 ASN HD22 H 1 6.90 0.01 . 1 . . . . 55 ASN HD22 . 7087 1 523 . 1 1 55 55 ASN C C 13 174.4 0.2 . 1 . . . . 55 ASN C . 7087 1 524 . 1 1 55 55 ASN CA C 13 53.3 0.2 . 1 . . . . 55 ASN CA . 7087 1 525 . 1 1 55 55 ASN CB C 13 38.7 0.2 . 1 . . . . 55 ASN CB . 7087 1 526 . 1 1 55 55 ASN N N 15 117.6 0.1 . 1 . . . . 55 ASN N . 7087 1 527 . 1 1 55 55 ASN ND2 N 15 115.0 0.1 . 1 . . . . 55 ASN ND2 . 7087 1 528 . 1 1 56 56 LYS H H 1 8.73 0.01 . 1 . . . . 56 LYS H . 7087 1 529 . 1 1 56 56 LYS HA H 1 3.59 0.01 . 1 . . . . 56 LYS HA . 7087 1 530 . 1 1 56 56 LYS HB2 H 1 1.94 0.01 . 2 . . . . 56 LYS HB2 . 7087 1 531 . 1 1 56 56 LYS HB3 H 1 1.85 0.01 . 2 . . . . 56 LYS HB3 . 7087 1 532 . 1 1 56 56 LYS HG2 H 1 1.67 0.01 . 2 . . . . 56 LYS HG2 . 7087 1 533 . 1 1 56 56 LYS HG3 H 1 1.30 0.01 . 2 . . . . 56 LYS HG3 . 7087 1 534 . 1 1 56 56 LYS C C 13 175.5 0.2 . 1 . . . . 56 LYS C . 7087 1 535 . 1 1 56 56 LYS CA C 13 58.1 0.2 . 1 . . . . 56 LYS CA . 7087 1 536 . 1 1 56 56 LYS CB C 13 29.1 0.2 . 1 . . . . 56 LYS CB . 7087 1 537 . 1 1 56 56 LYS CG C 13 25.6 0.2 . 1 . . . . 56 LYS CG . 7087 1 538 . 1 1 56 56 LYS N N 15 117.1 0.1 . 1 . . . . 56 LYS N . 7087 1 539 . 1 1 57 57 GLU H H 1 8.80 0.01 . . . . . . 57 GLU H . 7087 1 540 . 1 1 57 57 GLU HA H 1 4.36 0.01 . . . . . . 57 GLU HA . 7087 1 541 . 1 1 57 57 GLU HB2 H 1 1.96 0.01 . 1 . . . . 57 GLU HB2 . 7087 1 542 . 1 1 57 57 GLU HB3 H 1 1.96 0.01 . 1 . . . . 57 GLU HB3 . 7087 1 543 . 1 1 57 57 GLU HG2 H 1 2.10 0.01 . 2 . . . . 57 GLU HG2 . 7087 1 544 . 1 1 57 57 GLU HG3 H 1 2.26 0.01 . 2 . . . . 57 GLU HG3 . 7087 1 545 . 1 1 57 57 GLU C C 13 176.0 0.2 . 1 . . . . 57 GLU C . 7087 1 546 . 1 1 57 57 GLU CA C 13 57.2 0.2 . 1 . . . . 57 GLU CA . 7087 1 547 . 1 1 57 57 GLU CB C 13 27.8 0.2 . 1 . . . . 57 GLU CB . 7087 1 548 . 1 1 57 57 GLU CG C 13 36.2 0.2 . 1 . . . . 57 GLU CG . 7087 1 549 . 1 1 57 57 GLU N N 15 121.4 0.1 . 1 . . . . 57 GLU N . 7087 1 550 . 1 1 58 58 LYS H H 1 8.20 0.01 . 1 . . . . 58 LYS H . 7087 1 551 . 1 1 58 58 LYS HA H 1 4.44 0.01 . 1 . . . . 58 LYS HA . 7087 1 552 . 1 1 58 58 LYS HB2 H 1 1.79 0.01 . 4 . . . . 58 LYS HB2 . 7087 1 553 . 1 1 58 58 LYS HB3 H 1 1.74 0.01 . 4 . . . . 58 LYS HB3 . 7087 1 554 . 1 1 58 58 LYS HG2 H 1 1.38 0.01 . 1 . . . . 58 LYS HG2 . 7087 1 555 . 1 1 58 58 LYS HG3 H 1 1.38 0.01 . 1 . . . . 58 LYS HG3 . 7087 1 556 . 1 1 58 58 LYS HD2 H 1 1.61 0.01 . 4 . . . . 58 LYS HD2 . 7087 1 557 . 1 1 58 58 LYS HD3 H 1 1.61 0.01 . 4 . . . . 58 LYS HD3 . 7087 1 558 . 1 1 58 58 LYS HE2 H 1 2.85 0.01 . 1 . . . . 58 LYS HE2 . 7087 1 559 . 1 1 58 58 LYS HE3 H 1 2.85 0.01 . 1 . . . . 58 LYS HE3 . 7087 1 560 . 1 1 58 58 LYS CA C 13 55.7 0.2 . 1 . . . . 58 LYS CA . 7087 1 561 . 1 1 58 58 LYS CG C 13 25.1 0.2 . 1 . . . . 58 LYS CG . 7087 1 562 . 1 1 58 58 LYS N N 15 121.4 0.1 . 1 . . . . 58 LYS N . 7087 1 563 . 1 1 59 59 VAL H H 1 8.33 0.01 . 1 . . . . 59 VAL H . 7087 1 564 . 1 1 59 59 VAL HA H 1 4.59 0.01 . 1 . . . . 59 VAL HA . 7087 1 565 . 1 1 59 59 VAL HB H 1 1.94 0.01 . 1 . . . . 59 VAL HB . 7087 1 566 . 1 1 59 59 VAL HG11 H 1 0.89 0.01 . 1 . . . . 59 VAL HG1 . 7087 1 567 . 1 1 59 59 VAL HG12 H 1 0.89 0.01 . 1 . . . . 59 VAL HG1 . 7087 1 568 . 1 1 59 59 VAL HG13 H 1 0.89 0.01 . 1 . . . . 59 VAL HG1 . 7087 1 569 . 1 1 59 59 VAL HG21 H 1 0.89 0.01 . 1 . . . . 59 VAL HG2 . 7087 1 570 . 1 1 59 59 VAL HG22 H 1 0.89 0.01 . 1 . . . . 59 VAL HG2 . 7087 1 571 . 1 1 59 59 VAL HG23 H 1 0.89 0.01 . 1 . . . . 59 VAL HG2 . 7087 1 572 . 1 1 59 59 VAL C C 13 176.9 0.2 . 1 . . . . 59 VAL C . 7087 1 573 . 1 1 59 59 VAL CA C 13 62.5 0.2 . 1 . . . . 59 VAL CA . 7087 1 574 . 1 1 59 59 VAL CB C 13 32.0 0.2 . 1 . . . . 59 VAL CB . 7087 1 575 . 1 1 59 59 VAL CG1 C 13 21.5 0.2 . 1 . . . . 59 VAL CG1 . 7087 1 576 . 1 1 59 59 VAL CG2 C 13 21.5 0.2 . 1 . . . . 59 VAL CG2 . 7087 1 577 . 1 1 59 59 VAL N N 15 122.4 0.1 . 1 . . . . 59 VAL N . 7087 1 578 . 1 1 60 60 VAL H H 1 8.52 0.01 . 1 . . . . 60 VAL H . 7087 1 579 . 1 1 60 60 VAL HB H 1 2.19 0.01 . 9 . . . . 60 VAL HB . 7087 1 580 . 1 1 60 60 VAL HG11 H 1 0.90 0.01 . 9 . . . . 60 VAL HG1 . 7087 1 581 . 1 1 60 60 VAL HG12 H 1 0.90 0.01 . 9 . . . . 60 VAL HG1 . 7087 1 582 . 1 1 60 60 VAL HG13 H 1 0.90 0.01 . 9 . . . . 60 VAL HG1 . 7087 1 583 . 1 1 60 60 VAL HG21 H 1 0.61 0.01 . 9 . . . . 60 VAL HG2 . 7087 1 584 . 1 1 60 60 VAL HG22 H 1 0.61 0.01 . 9 . . . . 60 VAL HG2 . 7087 1 585 . 1 1 60 60 VAL HG23 H 1 0.61 0.01 . 9 . . . . 60 VAL HG2 . 7087 1 586 . 1 1 60 60 VAL N N 15 121.4 0.1 . 1 . . . . 60 VAL N . 7087 1 587 . 1 1 63 63 ILE HA H 1 4.02 0.01 . 1 . . . . 63 ILE HA . 7087 1 588 . 1 1 63 63 ILE HB H 1 1.98 0.01 . 1 . . . . 63 ILE HB . 7087 1 589 . 1 1 63 63 ILE HG12 H 1 1.38 0.01 . 2 . . . . 63 ILE HG12 . 7087 1 590 . 1 1 63 63 ILE HG13 H 1 1.27 0.01 . 2 . . . . 63 ILE HG13 . 7087 1 591 . 1 1 63 63 ILE C C 13 175.8 0.2 . 1 . . . . 63 ILE C . 7087 1 592 . 1 1 63 63 ILE CA C 13 60.4 0.2 . 1 . . . . 63 ILE CA . 7087 1 593 . 1 1 63 63 ILE CB C 13 36.7 0.2 . 1 . . . . 63 ILE CB . 7087 1 594 . 1 1 63 63 ILE CG1 C 13 27.1 0.2 . 1 . . . . 63 ILE CG1 . 7087 1 595 . 1 1 63 63 ILE CG2 C 13 17.4 0.2 . 1 . . . . 63 ILE CG2 . 7087 1 596 . 1 1 63 63 ILE CD1 C 13 12.0 0.2 . 1 . . . . 63 ILE CD1 . 7087 1 597 . 1 1 64 64 ILE H H 1 8.38 0.01 . 1 . . . . 64 ILE H . 7087 1 598 . 1 1 64 64 ILE HA H 1 3.87 0.01 . 1 . . . . 64 ILE HA . 7087 1 599 . 1 1 64 64 ILE HB H 1 1.45 0.01 . 1 . . . . 64 ILE HB . 7087 1 600 . 1 1 64 64 ILE HG12 H 1 1.04 0.01 . 1 . . . . 64 ILE HG12 . 7087 1 601 . 1 1 64 64 ILE HG13 H 1 1.22 0.01 . 1 . . . . 64 ILE HG13 . 7087 1 602 . 1 1 64 64 ILE HG21 H 1 0.75 0.01 . 1 . . . . 64 ILE HG2 . 7087 1 603 . 1 1 64 64 ILE HG22 H 1 0.75 0.01 . 1 . . . . 64 ILE HG2 . 7087 1 604 . 1 1 64 64 ILE HG23 H 1 0.75 0.01 . 1 . . . . 64 ILE HG2 . 7087 1 605 . 1 1 64 64 ILE HD11 H 1 0.43 0.01 . 9 . . . . 64 ILE HD1 . 7087 1 606 . 1 1 64 64 ILE HD12 H 1 0.43 0.01 . 9 . . . . 64 ILE HD1 . 7087 1 607 . 1 1 64 64 ILE HD13 H 1 0.43 0.01 . 9 . . . . 64 ILE HD1 . 7087 1 608 . 1 1 64 64 ILE C C 13 177.4 0.2 . 1 . . . . 64 ILE C . 7087 1 609 . 1 1 64 64 ILE CA C 13 61.5 0.2 . 1 . . . . 64 ILE CA . 7087 1 610 . 1 1 64 64 ILE CB C 13 37.0 0.2 . 1 . . . . 64 ILE CB . 7087 1 611 . 1 1 64 64 ILE CG1 C 13 28.0 0.2 . 1 . . . . 64 ILE CG1 . 7087 1 612 . 1 1 64 64 ILE CG2 C 13 16.7 0.2 . 1 . . . . 64 ILE CG2 . 7087 1 613 . 1 1 64 64 ILE CD1 C 13 9.1 0.2 . 9 . . . . 64 ILE CD1 . 7087 1 614 . 1 1 64 64 ILE N N 15 128.6 0.1 . 1 . . . . 64 ILE N . 7087 1 615 . 1 1 65 65 SER H H 1 7.52 0.01 . 1 . . . . 65 SER H . 7087 1 616 . 1 1 65 65 SER HA H 1 4.31 0.01 . 1 . . . . 65 SER HA . 7087 1 617 . 1 1 65 65 SER HB2 H 1 3.58 0.01 . 1 . . . . 65 SER HB2 . 7087 1 618 . 1 1 65 65 SER HB3 H 1 3.58 0.01 . 1 . . . . 65 SER HB3 . 7087 1 619 . 1 1 65 65 SER CA C 13 59.4 0.2 . 1 . . . . 65 SER CA . 7087 1 620 . 1 1 65 65 SER CB C 13 63.7 0.2 . 1 . . . . 65 SER CB . 7087 1 621 . 1 1 65 65 SER N N 15 116.0 0.1 . 1 . . . . 65 SER N . 7087 1 622 . 1 1 66 66 SER CA C 13 59.1 . . . . . . . 66 SER CA . 7087 1 623 . 1 1 67 67 THR H H 1 7.70 . . . . . . . 67 THR H . 7087 1 624 . 1 1 67 67 THR CA C 13 63.0 . . . . . . . 67 THR CA . 7087 1 625 . 1 1 67 67 THR CB C 13 70.5 . . . . . . . 67 THR CB . 7087 1 626 . 1 1 68 68 PRO HA H 1 4.32 0.01 . 1 . . . . 68 PRO HA . 7087 1 627 . 1 1 68 68 PRO HB2 H 1 2.00 0.01 . 2 . . . . 68 PRO HB2 . 7087 1 628 . 1 1 68 68 PRO HB3 H 1 1.70 0.01 . 2 . . . . 68 PRO HB3 . 7087 1 629 . 1 1 68 68 PRO HG2 H 1 1.61 0.01 . 1 . . . . 68 PRO HG2 . 7087 1 630 . 1 1 68 68 PRO HG3 H 1 1.61 0.01 . 1 . . . . 68 PRO HG3 . 7087 1 631 . 1 1 68 68 PRO HD2 H 1 3.85 0.01 . 2 . . . . 68 PRO HD2 . 7087 1 632 . 1 1 68 68 PRO HD3 H 1 3.43 0.01 . 2 . . . . 68 PRO HD3 . 7087 1 633 . 1 1 68 68 PRO C C 13 176.2 0.2 . 1 . . . . 68 PRO C . 7087 1 634 . 1 1 68 68 PRO CA C 13 62.9 0.2 . 1 . . . . 68 PRO CA . 7087 1 635 . 1 1 68 68 PRO CB C 13 31.2 0.2 . 1 . . . . 68 PRO CB . 7087 1 636 . 1 1 68 68 PRO CG C 13 27.4 0.2 . 1 . . . . 68 PRO CG . 7087 1 637 . 1 1 69 69 LEU H H 1 8.66 0.01 . 1 . . . . 69 LEU H . 7087 1 638 . 1 1 69 69 LEU HA H 1 4.74 0.01 . 1 . . . . 69 LEU HA . 7087 1 639 . 1 1 69 69 LEU HB2 H 1 1.40 0.01 . 2 . . . . 69 LEU HB2 . 7087 1 640 . 1 1 69 69 LEU HB3 H 1 1.11 0.01 . 2 . . . . 69 LEU HB3 . 7087 1 641 . 1 1 69 69 LEU HG H 1 1.42 0.01 . 1 . . . . 69 LEU HG . 7087 1 642 . 1 1 69 69 LEU HD11 H 1 0.38 0.01 . 2 . . . . 69 LEU HD1 . 7087 1 643 . 1 1 69 69 LEU HD12 H 1 0.38 0.01 . 2 . . . . 69 LEU HD1 . 7087 1 644 . 1 1 69 69 LEU HD13 H 1 0.38 0.01 . 2 . . . . 69 LEU HD1 . 7087 1 645 . 1 1 69 69 LEU HD21 H 1 0.31 0.01 . 2 . . . . 69 LEU HD2 . 7087 1 646 . 1 1 69 69 LEU HD22 H 1 0.31 0.01 . 2 . . . . 69 LEU HD2 . 7087 1 647 . 1 1 69 69 LEU HD23 H 1 0.31 0.01 . 2 . . . . 69 LEU HD2 . 7087 1 648 . 1 1 69 69 LEU C C 13 176.4 0.2 . 1 . . . . 69 LEU C . 7087 1 649 . 1 1 69 69 LEU CA C 13 53.5 0.2 . 1 . . . . 69 LEU CA . 7087 1 650 . 1 1 69 69 LEU CB C 13 45.4 0.2 . 1 . . . . 69 LEU CB . 7087 1 651 . 1 1 69 69 LEU CG C 13 26.6 0.2 . 1 . . . . 69 LEU CG . 7087 1 652 . 1 1 69 69 LEU CD1 C 13 24.8 0.2 . 2 . . . . 69 LEU CD1 . 7087 1 653 . 1 1 69 69 LEU CD2 C 13 24.1 0.2 . 2 . . . . 69 LEU CD2 . 7087 1 654 . 1 1 69 69 LEU N N 15 126.0 0.1 . 1 . . . . 69 LEU N . 7087 1 655 . 1 1 70 70 ALA H H 1 8.85 0.01 . 1 . . . . 70 ALA H . 7087 1 656 . 1 1 70 70 ALA HA H 1 4.44 0.01 . 1 . . . . 70 ALA HA . 7087 1 657 . 1 1 70 70 ALA HB1 H 1 1.06 0.01 . 1 . . . . 70 ALA HB . 7087 1 658 . 1 1 70 70 ALA HB2 H 1 1.06 0.01 . 1 . . . . 70 ALA HB . 7087 1 659 . 1 1 70 70 ALA HB3 H 1 1.06 0.01 . 1 . . . . 70 ALA HB . 7087 1 660 . 1 1 70 70 ALA C C 13 176.5 0.2 . 1 . . . . 70 ALA C . 7087 1 661 . 1 1 70 70 ALA CA C 13 50.8 0.2 . 1 . . . . 70 ALA CA . 7087 1 662 . 1 1 70 70 ALA CB C 13 18.9 0.2 . 1 . . . . 70 ALA CB . 7087 1 663 . 1 1 70 70 ALA N N 15 127.6 0.1 . 1 . . . . 70 ALA N . 7087 1 664 . 1 1 71 71 GLU H H 1 8.51 0.01 . 1 . . . . 71 GLU H . 7087 1 665 . 1 1 71 71 GLU HA H 1 3.84 0.01 . 1 . . . . 71 GLU HA . 7087 1 666 . 1 1 71 71 GLU HB2 H 1 1.84 0.01 . 2 . . . . 71 GLU HB2 . 7087 1 667 . 1 1 71 71 GLU HB3 H 1 2.03 0.01 . 2 . . . . 71 GLU HB3 . 7087 1 668 . 1 1 71 71 GLU HG2 H 1 2.09 0.01 . 2 . . . . 71 GLU HG2 . 7087 1 669 . 1 1 71 71 GLU HG3 H 1 2.25 0.01 . 2 . . . . 71 GLU HG3 . 7087 1 670 . 1 1 71 71 GLU C C 13 175.6 0.2 . 1 . . . . 71 GLU C . 7087 1 671 . 1 1 71 71 GLU CA C 13 59.2 0.2 . 1 . . . . 71 GLU CA . 7087 1 672 . 1 1 71 71 GLU CB C 13 30.2 0.2 . 1 . . . . 71 GLU CB . 7087 1 673 . 1 1 71 71 GLU CG C 13 36.9 0.2 . 1 . . . . 71 GLU CG . 7087 1 674 . 1 1 71 71 GLU N N 15 122.4 0.1 . 1 . . . . 71 GLU N . 7087 1 675 . 1 1 72 72 ASN H H 1 7.81 0.01 . 1 . . . . 72 ASN H . 7087 1 676 . 1 1 72 72 ASN HA H 1 4.65 0.01 . 1 . . . . 72 ASN HA . 7087 1 677 . 1 1 72 72 ASN HB2 H 1 2.86 0.01 . 1 . . . . 72 ASN HB2 . 7087 1 678 . 1 1 72 72 ASN HB3 H 1 2.65 0.01 . 1 . . . . 72 ASN HB3 . 7087 1 679 . 1 1 72 72 ASN HD21 H 1 7.56 0.01 . 1 . . . . 72 ASN HD21 . 7087 1 680 . 1 1 72 72 ASN HD22 H 1 6.96 0.01 . 1 . . . . 72 ASN HD22 . 7087 1 681 . 1 1 72 72 ASN CA C 13 51.9 0.2 . 1 . . . . 72 ASN CA . 7087 1 682 . 1 1 72 72 ASN CB C 13 41.6 0.2 . 1 . . . . 72 ASN CB . 7087 1 683 . 1 1 72 72 ASN N N 15 111.4 0.1 . 1 . . . . 72 ASN N . 7087 1 684 . 1 1 72 72 ASN ND2 N 15 114.5 0.1 . 1 . . . . 72 ASN ND2 . 7087 1 685 . 1 1 73 73 THR HA H 1 3.98 0.01 . 1 . . . . 73 THR HA . 7087 1 686 . 1 1 73 73 THR HB H 1 3.95 0.01 . 1 . . . . 73 THR HB . 7087 1 687 . 1 1 73 73 THR HG21 H 1 1.07 0.01 . 1 . . . . 73 THR HG2 . 7087 1 688 . 1 1 73 73 THR HG22 H 1 1.07 0.01 . 1 . . . . 73 THR HG2 . 7087 1 689 . 1 1 73 73 THR HG23 H 1 1.07 0.01 . 1 . . . . 73 THR HG2 . 7087 1 690 . 1 1 73 73 THR C C 13 174.8 0.2 . 1 . . . . 73 THR C . 7087 1 691 . 1 1 73 73 THR CA C 13 65.6 0.2 . 1 . . . . 73 THR CA . 7087 1 692 . 1 1 73 73 THR CB C 13 69.1 0.2 . 1 . . . . 73 THR CB . 7087 1 693 . 1 1 73 73 THR CG2 C 13 21.5 0.2 . 1 . . . . 73 THR CG2 . 7087 1 694 . 1 1 74 74 ASN H H 1 9.10 0.01 . 1 . . . . 74 ASN H . 7087 1 695 . 1 1 74 74 ASN HA H 1 4.42 0.01 . 1 . . . . 74 ASN HA . 7087 1 696 . 1 1 74 74 ASN HB2 H 1 3.03 0.01 . 2 . . . . 74 ASN HB2 . 7087 1 697 . 1 1 74 74 ASN HB3 H 1 2.93 0.01 . 2 . . . . 74 ASN HB3 . 7087 1 698 . 1 1 74 74 ASN HD21 H 1 7.46 0.01 . 1 . . . . 74 ASN HD21 . 7087 1 699 . 1 1 74 74 ASN HD22 H 1 6.75 0.01 . 1 . . . . 74 ASN HD22 . 7087 1 700 . 1 1 74 74 ASN C C 13 174.2 0.2 . 1 . . . . 74 ASN C . 7087 1 701 . 1 1 74 74 ASN CA C 13 55.0 0.2 . 1 . . . . 74 ASN CA . 7087 1 702 . 1 1 74 74 ASN CB C 13 37.3 0.2 . 1 . . . . 74 ASN CB . 7087 1 703 . 1 1 74 74 ASN N N 15 121.4 0.1 . 1 . . . . 74 ASN N . 7087 1 704 . 1 1 74 74 ASN ND2 N 15 112.9 0.1 . 1 . . . . 74 ASN ND2 . 7087 1 705 . 1 1 75 75 SER H H 1 7.86 0.01 . 1 . . . . 75 SER H . 7087 1 706 . 1 1 75 75 SER HA H 1 4.52 0.01 . 1 . . . . 75 SER HA . 7087 1 707 . 1 1 75 75 SER HB2 H 1 3.98 0.01 . 1 . . . . 75 SER HB2 . 7087 1 708 . 1 1 75 75 SER HB3 H 1 3.98 0.01 . 1 . . . . 75 SER HB3 . 7087 1 709 . 1 1 75 75 SER C C 13 173.2 0.2 . 1 . . . . 75 SER C . 7087 1 710 . 1 1 75 75 SER CA C 13 59.2 0.2 . 1 . . . . 75 SER CA . 7087 1 711 . 1 1 75 75 SER CB C 13 64.7 0.2 . 1 . . . . 75 SER CB . 7087 1 712 . 1 1 75 75 SER N N 15 114.5 0.1 . 1 . . . . 75 SER N . 7087 1 713 . 1 1 76 76 VAL H H 1 8.50 0.01 . 1 . . . . 76 VAL H . 7087 1 714 . 1 1 76 76 VAL HA H 1 5.07 0.01 . 1 . . . . 76 VAL HA . 7087 1 715 . 1 1 76 76 VAL HB H 1 1.86 0.01 . 1 . . . . 76 VAL HB . 7087 1 716 . 1 1 76 76 VAL HG11 H 1 0.86 0.01 . 2 . . . . 76 VAL HG1 . 7087 1 717 . 1 1 76 76 VAL HG12 H 1 0.86 0.01 . 2 . . . . 76 VAL HG1 . 7087 1 718 . 1 1 76 76 VAL HG13 H 1 0.86 0.01 . 2 . . . . 76 VAL HG1 . 7087 1 719 . 1 1 76 76 VAL HG21 H 1 0.81 0.01 . 2 . . . . 76 VAL HG2 . 7087 1 720 . 1 1 76 76 VAL HG22 H 1 0.81 0.01 . 2 . . . . 76 VAL HG2 . 7087 1 721 . 1 1 76 76 VAL HG23 H 1 0.81 0.01 . 2 . . . . 76 VAL HG2 . 7087 1 722 . 1 1 76 76 VAL C C 13 176.3 0.2 . 1 . . . . 76 VAL C . 7087 1 723 . 1 1 76 76 VAL CA C 13 60.8 0.2 . 1 . . . . 76 VAL CA . 7087 1 724 . 1 1 76 76 VAL CB C 13 33.4 0.2 . 1 . . . . 76 VAL CB . 7087 1 725 . 1 1 76 76 VAL CG1 C 13 21.5 0.2 . 1 . . . . 76 VAL CG1 . 7087 1 726 . 1 1 76 76 VAL CG2 C 13 21.5 0.2 . 1 . . . . 76 VAL CG2 . 7087 1 727 . 1 1 76 76 VAL N N 15 121.9 0.01 . 1 . . . . 76 VAL N . 7087 1 728 . 1 1 77 77 THR H H 1 9.20 0.01 . 1 . . . . 77 THR H . 7087 1 729 . 1 1 77 77 THR HA H 1 4.55 0.01 . 1 . . . . 77 THR HA . 7087 1 730 . 1 1 77 77 THR HB H 1 3.73 0.01 . 1 . . . . 77 THR HB . 7087 1 731 . 1 1 77 77 THR HG21 H 1 1.13 0.01 . 1 . . . . 77 THR HG2 . 7087 1 732 . 1 1 77 77 THR HG22 H 1 1.13 0.01 . 1 . . . . 77 THR HG2 . 7087 1 733 . 1 1 77 77 THR HG23 H 1 1.13 0.01 . 1 . . . . 77 THR HG2 . 7087 1 734 . 1 1 77 77 THR C C 13 172.5 0.1 . 1 . . . . 77 THR C . 7087 1 735 . 1 1 77 77 THR CA C 13 61.7 0.2 . 1 . . . . 77 THR CA . 7087 1 736 . 1 1 77 77 THR CB C 13 70.9 0.2 . 1 . . . . 77 THR CB . 7087 1 737 . 1 1 77 77 THR CG2 C 13 21.5 0.2 . 1 . . . . 77 THR CG2 . 7087 1 738 . 1 1 77 77 THR N N 15 124.5 0.1 . 1 . . . . 77 THR N . 7087 1 739 . 1 1 78 78 ASN H H 1 8.93 0.01 . 1 . . . . 78 ASN H . 7087 1 740 . 1 1 78 78 ASN HA H 1 4.99 0.01 . 1 . . . . 78 ASN HA . 7087 1 741 . 1 1 78 78 ASN HB2 H 1 2.57 0.01 . 1 . . . . 78 ASN HB2 . 7087 1 742 . 1 1 78 78 ASN HB3 H 1 2.57 0.01 . 1 . . . . 78 ASN HB3 . 7087 1 743 . 1 1 78 78 ASN HD21 H 1 7.27 0.01 . 1 . . . . 78 ASN HD21 . 7087 1 744 . 1 1 78 78 ASN HD22 H 1 6.46 0.01 . 1 . . . . 78 ASN HD22 . 7087 1 745 . 1 1 78 78 ASN C C 13 174.3 0.2 . 1 . . . . 78 ASN C . 7087 1 746 . 1 1 78 78 ASN CA C 13 52.9 0.2 . 1 . . . . 78 ASN CA . 7087 1 747 . 1 1 78 78 ASN CB C 13 39.8 0.2 . 1 . . . . 78 ASN CB . 7087 1 748 . 1 1 78 78 ASN N N 15 127.6 0.1 . 1 . . . . 78 ASN N . 7087 1 749 . 1 1 78 78 ASN ND2 N 15 110.9 0.1 . . . . . . 78 ASN ND2 . 7087 1 750 . 1 1 79 79 ILE H H 1 8.99 0.01 . 1 . . . . 79 ILE H . 7087 1 751 . 1 1 79 79 ILE HA H 1 4.22 0.01 . 1 . . . . 79 ILE HA . 7087 1 752 . 1 1 79 79 ILE HB H 1 1.52 0.01 . 1 . . . . 79 ILE HB . 7087 1 753 . 1 1 79 79 ILE HG12 H 1 1.46 0.01 . 1 . . . . 79 ILE HG12 . 7087 1 754 . 1 1 79 79 ILE HG13 H 1 1.46 0.01 . 1 . . . . 79 ILE HG13 . 7087 1 755 . 1 1 79 79 ILE HG21 H 1 0.53 0.01 . 1 . . . . 79 ILE HG2 . 7087 1 756 . 1 1 79 79 ILE HG22 H 1 0.53 0.01 . 1 . . . . 79 ILE HG2 . 7087 1 757 . 1 1 79 79 ILE HG23 H 1 0.53 0.01 . 1 . . . . 79 ILE HG2 . 7087 1 758 . 1 1 79 79 ILE HD11 H 1 0.69 0.01 . 1 . . . . 79 ILE HD1 . 7087 1 759 . 1 1 79 79 ILE HD12 H 1 0.69 0.01 . 1 . . . . 79 ILE HD1 . 7087 1 760 . 1 1 79 79 ILE HD13 H 1 0.69 0.01 . 1 . . . . 79 ILE HD1 . 7087 1 761 . 1 1 79 79 ILE C C 13 172.9 0.2 . 1 . . . . 79 ILE C . 7087 1 762 . 1 1 79 79 ILE CA C 13 61.0 0.2 . 1 . . . . 79 ILE CA . 7087 1 763 . 1 1 79 79 ILE CB C 13 39.8 0.2 . 1 . . . . 79 ILE CB . 7087 1 764 . 1 1 79 79 ILE CG1 C 13 27.5 0.2 . 1 . . . . 79 ILE CG1 . 7087 1 765 . 1 1 79 79 ILE CG2 C 13 21.9 0.2 . 4 . . . . 79 ILE CG2 . 7087 1 766 . 1 1 79 79 ILE CD1 C 13 18.4 0.2 . 4 . . . . 79 ILE CD1 . 7087 1 767 . 1 1 79 79 ILE N N 15 125.3 0.1 . 1 . . . . 79 ILE N . 7087 1 768 . 1 1 80 80 GLU H H 1 8.91 0.01 . . . . . . 80 GLU H . 7087 1 769 . 1 1 80 80 GLU HA H 1 5.24 0.01 . . . . . . 80 GLU HA . 7087 1 770 . 1 1 80 80 GLU HB2 H 1 1.70 0.01 . 2 . . . . 80 GLU HB2 . 7087 1 771 . 1 1 80 80 GLU HB3 H 1 1.84 0.01 . 2 . . . . 80 GLU HB3 . 7087 1 772 . 1 1 80 80 GLU HG2 H 1 1.97 0.01 . 2 . . . . 80 GLU HG2 . 7087 1 773 . 1 1 80 80 GLU HG3 H 1 2.24 0.01 . 2 . . . . 80 GLU HG3 . 7087 1 774 . 1 1 80 80 GLU C C 13 175.5 0.2 . 1 . . . . 80 GLU C . 7087 1 775 . 1 1 80 80 GLU CA C 13 54.4 0.2 . 1 . . . . 80 GLU CA . 7087 1 776 . 1 1 80 80 GLU CB C 13 31.4 0.2 . 1 . . . . 80 GLU CB . 7087 1 777 . 1 1 80 80 GLU CG C 13 36.2 0.2 . 1 . . . . 80 GLU CG . 7087 1 778 . 1 1 80 80 GLU N N 15 128.1 0.1 . 1 . . . . 80 GLU N . 7087 1 779 . 1 1 81 81 LEU H H 1 9.42 0.01 . 1 . . . . 81 LEU H . 7087 1 780 . 1 1 81 81 LEU HA H 1 4.74 0.01 . 1 . . . . 81 LEU HA . 7087 1 781 . 1 1 81 81 LEU HB2 H 1 1.56 0.01 . 2 . . . . 81 LEU HB2 . 7087 1 782 . 1 1 81 81 LEU HB3 H 1 1.35 0.01 . 2 . . . . 81 LEU HB3 . 7087 1 783 . 1 1 81 81 LEU HG H 1 1.42 0.01 . 1 . . . . 81 LEU HG . 7087 1 784 . 1 1 81 81 LEU HD11 H 1 0.59 0.01 . 1 . . . . 81 LEU HD1 . 7087 1 785 . 1 1 81 81 LEU HD12 H 1 0.59 0.01 . 1 . . . . 81 LEU HD1 . 7087 1 786 . 1 1 81 81 LEU HD13 H 1 0.59 0.01 . 1 . . . . 81 LEU HD1 . 7087 1 787 . 1 1 81 81 LEU HD21 H 1 0.44 0.01 . 1 . . . . 81 LEU HD2 . 7087 1 788 . 1 1 81 81 LEU HD22 H 1 0.44 0.01 . 1 . . . . 81 LEU HD2 . 7087 1 789 . 1 1 81 81 LEU HD23 H 1 0.44 0.01 . 1 . . . . 81 LEU HD2 . 7087 1 790 . 1 1 81 81 LEU C C 13 173.4 0.2 . 1 . . . . 81 LEU C . 7087 1 791 . 1 1 81 81 LEU CA C 13 54.4 0.2 . 1 . . . . 81 LEU CA . 7087 1 792 . 1 1 81 81 LEU CB C 13 45.3 0.2 . 1 . . . . 81 LEU CB . 7087 1 793 . 1 1 81 81 LEU CG C 13 26.1 0.2 . 1 . . . . 81 LEU CG . 7087 1 794 . 1 1 81 81 LEU CD1 C 13 26.1 0.2 . 1 . . . . 81 LEU CD1 . 7087 1 795 . 1 1 81 81 LEU CD2 C 13 26.1 0.2 . 1 . . . . 81 LEU CD2 . 7087 1 796 . 1 1 81 81 LEU N N 15 125.5 0.1 . 1 . . . . 81 LEU N . 7087 1 797 . 1 1 82 82 GLU H H 1 8.89 . . . . . . . 82 GLU H . 7087 1 798 . 1 1 82 82 GLU HA H 1 4.52 0.01 . 9 . . . . 82 GLU HA . 7087 1 799 . 1 1 82 82 GLU HB2 H 1 1.80 0.01 . 1 . . . . 82 GLU HB2 . 7087 1 800 . 1 1 82 82 GLU HB3 H 1 1.80 0.01 . 1 . . . . 82 GLU HB3 . 7087 1 801 . 1 1 82 82 GLU HG2 H 1 1.99 0.01 . 1 . . . . 82 GLU HG2 . 7087 1 802 . 1 1 82 82 GLU HG3 H 1 1.99 0.01 . 1 . . . . 82 GLU HG3 . 7087 1 803 . 1 1 82 82 GLU CB C 13 31.6 0.2 . 1 . . . . 82 GLU CB . 7087 1 804 . 1 1 82 82 GLU N N 15 121.2 0.1 . 1 . . . . 82 GLU N . 7087 1 805 . 1 1 83 83 PRO HD2 H 1 3.53 0.01 . 2 . . . . 83 PRO HD2 . 7087 1 806 . 1 1 83 83 PRO HD3 H 1 3.33 0.01 . 2 . . . . 83 PRO HD3 . 7087 1 807 . 1 1 84 84 PRO HA H 1 4.43 0.01 . 1 . . . . 84 PRO HA . 7087 1 808 . 1 1 84 84 PRO HB2 H 1 2.10 0.01 . 2 . . . . 84 PRO HB2 . 7087 1 809 . 1 1 84 84 PRO HB3 H 1 1.96 0.01 . 2 . . . . 84 PRO HB3 . 7087 1 810 . 1 1 84 84 PRO HG2 H 1 1.83 0.01 . 2 . . . . 84 PRO HG2 . 7087 1 811 . 1 1 84 84 PRO HG3 H 1 1.69 0.01 . 2 . . . . 84 PRO HG3 . 7087 1 812 . 1 1 84 84 PRO C C 13 175.8 0.2 . 1 . . . . 84 PRO C . 7087 1 813 . 1 1 84 84 PRO CA C 13 61.6 0.2 . 1 . . . . 84 PRO CA . 7087 1 814 . 1 1 84 84 PRO CB C 13 32.0 0.2 . 1 . . . . 84 PRO CB . 7087 1 815 . 1 1 84 84 PRO CG C 13 27.0 0.2 . 1 . . . . 84 PRO CG . 7087 1 816 . 1 1 85 85 PHE H H 1 8.00 0.01 . 1 . . . . 85 PHE H . 7087 1 817 . 1 1 85 85 PHE HA H 1 3.87 0.01 . 1 . . . . 85 PHE HA . 7087 1 818 . 1 1 85 85 PHE HB2 H 1 2.96 0.01 . 2 . . . . 85 PHE HB2 . 7087 1 819 . 1 1 85 85 PHE HB3 H 1 2.70 0.01 . 2 . . . . 85 PHE HB3 . 7087 1 820 . 1 1 85 85 PHE HD1 H 1 7.05 0.01 . 1 . . . . 85 PHE HD1 . 7087 1 821 . 1 1 85 85 PHE HD2 H 1 7.05 0.01 . 1 . . . . 85 PHE HD2 . 7087 1 822 . 1 1 85 85 PHE HE1 H 1 7.25 0.01 . 1 . . . . 85 PHE HE1 . 7087 1 823 . 1 1 85 85 PHE HE2 H 1 7.25 0.01 . 1 . . . . 85 PHE HE2 . 7087 1 824 . 1 1 85 85 PHE HZ H 1 7.23 0.01 . 1 . . . . 85 PHE HZ . 7087 1 825 . 1 1 85 85 PHE C C 13 176.7 0.2 . 1 . . . . 85 PHE C . 7087 1 826 . 1 1 85 85 PHE CA C 13 61.2 0.2 . 1 . . . . 85 PHE CA . 7087 1 827 . 1 1 85 85 PHE CB C 13 38.9 0.2 . 1 . . . . 85 PHE CB . 7087 1 828 . 1 1 85 85 PHE CD1 C 13 131.6 0.02 . 1 . . . . 85 PHE CD1 . 7087 1 829 . 1 1 85 85 PHE CD2 C 13 131.6 0.02 . 1 . . . . 85 PHE CD2 . 7087 1 830 . 1 1 85 85 PHE CE1 C 13 131.7 0.02 . 1 . . . . 85 PHE CE1 . 7087 1 831 . 1 1 85 85 PHE CE2 C 13 131.7 0.02 . 1 . . . . 85 PHE CE2 . 7087 1 832 . 1 1 85 85 PHE CZ C 13 131.7 0.02 . 1 . . . . 85 PHE CZ . 7087 1 833 . 1 1 85 85 PHE N N 15 116.3 0.1 . 1 . . . . 85 PHE N . 7087 1 834 . 1 1 86 86 GLY H H 1 8.82 0.01 . 1 . . . . 86 GLY H . 7087 1 835 . 1 1 86 86 GLY HA2 H 1 4.29 0.01 . 1 . . . . 86 GLY HA2 . 7087 1 836 . 1 1 86 86 GLY HA3 H 1 3.11 0.01 . 1 . . . . 86 GLY HA3 . 7087 1 837 . 1 1 86 86 GLY C C 13 173.9 0.2 . 1 . . . . 86 GLY C . 7087 1 838 . 1 1 86 86 GLY CA C 13 44.2 0.2 . 1 . . . . 86 GLY CA . 7087 1 839 . 1 1 86 86 GLY N N 15 110.9 0.1 . 1 . . . . 86 GLY N . 7087 1 840 . 1 1 87 87 ASP H H 1 8.67 0.01 . 1 . . . . 87 ASP H . 7087 1 841 . 1 1 87 87 ASP HA H 1 5.37 0.01 . 1 . . . . 87 ASP HA . 7087 1 842 . 1 1 87 87 ASP HB2 H 1 2.64 0.01 . 1 . . . . 87 ASP HB2 . 7087 1 843 . 1 1 87 87 ASP HB3 H 1 2.39 0.01 . 1 . . . . 87 ASP HB3 . 7087 1 844 . 1 1 87 87 ASP C C 13 175.7 0.2 . 1 . . . . 87 ASP C . 7087 1 845 . 1 1 87 87 ASP CA C 13 55.5 0.2 . 1 . . . . 87 ASP CA . 7087 1 846 . 1 1 87 87 ASP CB C 13 45.3 0.2 . 1 . . . . 87 ASP CB . 7087 1 847 . 1 1 87 87 ASP N N 15 124.0 0.1 . 1 . . . . 87 ASP N . 7087 1 848 . 1 1 88 88 SER H H 1 9.07 0.01 . 1 . . . . 88 SER H . 7087 1 849 . 1 1 88 88 SER HA H 1 4.38 0.01 . 1 . . . . 88 SER HA . 7087 1 850 . 1 1 88 88 SER HB2 H 1 3.68 0.01 . 1 . . . . 88 SER HB2 . 7087 1 851 . 1 1 88 88 SER HB3 H 1 3.68 0.01 . 1 . . . . 88 SER HB3 . 7087 1 852 . 1 1 88 88 SER C C 13 171.5 0.2 . 1 . . . . 88 SER C . 7087 1 853 . 1 1 88 88 SER CA C 13 58.9 0.2 . 1 . . . . 88 SER CA . 7087 1 854 . 1 1 88 88 SER CB C 13 65.5 0.2 . 1 . . . . 88 SER CB . 7087 1 855 . 1 1 88 88 SER N N 15 115.5 0.1 . 1 . . . . 88 SER N . 7087 1 856 . 1 1 89 89 TYR H H 1 8.77 0.01 . 1 . . . . 89 TYR H . 7087 1 857 . 1 1 89 89 TYR HA H 1 5.33 0.01 . 1 . . . . 89 TYR HA . 7087 1 858 . 1 1 89 89 TYR HB2 H 1 2.54 0.01 . 1 . . . . 89 TYR HB2 . 7087 1 859 . 1 1 89 89 TYR HB3 H 1 2.42 0.01 . 1 . . . . 89 TYR HB3 . 7087 1 860 . 1 1 89 89 TYR HD1 H 1 7.00 0.01 . 1 . . . . 89 TYR HD1 . 7087 1 861 . 1 1 89 89 TYR HD2 H 1 7.00 0.01 . 1 . . . . 89 TYR HD2 . 7087 1 862 . 1 1 89 89 TYR HE1 H 1 6.85 0.01 . 1 . . . . 89 TYR HE1 . 7087 1 863 . 1 1 89 89 TYR HE2 H 1 6.85 0.01 . 1 . . . . 89 TYR HE2 . 7087 1 864 . 1 1 89 89 TYR C C 13 174.2 0.2 . 1 . . . . 89 TYR C . 7087 1 865 . 1 1 89 89 TYR CA C 13 56.6 0.2 . 1 . . . . 89 TYR CA . 7087 1 866 . 1 1 89 89 TYR CB C 13 41.1 0.2 . 1 . . . . 89 TYR CB . 7087 1 867 . 1 1 89 89 TYR CD1 C 13 133.2 0.2 . 1 . . . . 89 TYR CD1 . 7087 1 868 . 1 1 89 89 TYR CD2 C 13 133.2 0.2 . 1 . . . . 89 TYR CD2 . 7087 1 869 . 1 1 89 89 TYR CE1 C 13 118.5 0.2 . 1 . . . . 89 TYR CE1 . 7087 1 870 . 1 1 89 89 TYR CE2 C 13 118.5 0.2 . 1 . . . . 89 TYR CE2 . 7087 1 871 . 1 1 89 89 TYR N N 15 115.5 0.1 . 1 . . . . 89 TYR N . 7087 1 872 . 1 1 90 90 ILE H H 1 9.53 0.01 . 1 . . . . 90 ILE H . 7087 1 873 . 1 1 90 90 ILE HA H 1 4.51 0.01 . 1 . . . . 90 ILE HA . 7087 1 874 . 1 1 90 90 ILE HB H 1 1.81 0.01 . 1 . . . . 90 ILE HB . 7087 1 875 . 1 1 90 90 ILE HG12 H 1 1.05 0.01 . 2 . . . . 90 ILE HG12 . 7087 1 876 . 1 1 90 90 ILE HG13 H 1 1.29 0.01 . 2 . . . . 90 ILE HG13 . 7087 1 877 . 1 1 90 90 ILE HG21 H 1 0.61 0.01 . 4 . . . . 90 ILE HG2 . 7087 1 878 . 1 1 90 90 ILE HG22 H 1 0.61 0.01 . 4 . . . . 90 ILE HG2 . 7087 1 879 . 1 1 90 90 ILE HG23 H 1 0.61 0.01 . 4 . . . . 90 ILE HG2 . 7087 1 880 . 1 1 90 90 ILE HD11 H 1 0.59 0.01 . 4 . . . . 90 ILE HD1 . 7087 1 881 . 1 1 90 90 ILE HD12 H 1 0.59 0.01 . 4 . . . . 90 ILE HD1 . 7087 1 882 . 1 1 90 90 ILE HD13 H 1 0.59 0.01 . 4 . . . . 90 ILE HD1 . 7087 1 883 . 1 1 90 90 ILE C C 13 174.6 0.1 . 1 . . . . 90 ILE C . 7087 1 884 . 1 1 90 90 ILE CA C 13 60.9 0.2 . 1 . . . . 90 ILE CA . 7087 1 885 . 1 1 90 90 ILE CB C 13 38.6 0.2 . 1 . . . . 90 ILE CB . 7087 1 886 . 1 1 90 90 ILE CG1 C 13 30.3 0.2 . 1 . . . . 90 ILE CG1 . 7087 1 887 . 1 1 90 90 ILE CG2 C 13 19.2 0.2 . 1 . . . . 90 ILE CG2 . 7087 1 888 . 1 1 90 90 ILE CD1 C 13 14.5 0.2 . 1 . . . . 90 ILE CD1 . 7087 1 889 . 1 1 90 90 ILE N N 15 125.8 0.1 . 1 . . . . 90 ILE N . 7087 1 890 . 1 1 91 91 VAL H H 1 9.11 0.01 . 1 . . . . 91 VAL H . 7087 1 891 . 1 1 91 91 VAL HA H 1 5.04 0.01 . 1 . . . . 91 VAL HA . 7087 1 892 . 1 1 91 91 VAL HB H 1 1.92 0.01 . 1 . . . . 91 VAL HB . 7087 1 893 . 1 1 91 91 VAL HG11 H 1 0.78 0.01 . 1 . . . . 91 VAL HG1 . 7087 1 894 . 1 1 91 91 VAL HG12 H 1 0.78 0.01 . 1 . . . . 91 VAL HG1 . 7087 1 895 . 1 1 91 91 VAL HG13 H 1 0.78 0.01 . 1 . . . . 91 VAL HG1 . 7087 1 896 . 1 1 91 91 VAL HG21 H 1 0.78 0.01 . 1 . . . . 91 VAL HG2 . 7087 1 897 . 1 1 91 91 VAL HG22 H 1 0.78 0.01 . 1 . . . . 91 VAL HG2 . 7087 1 898 . 1 1 91 91 VAL HG23 H 1 0.78 0.01 . 1 . . . . 91 VAL HG2 . 7087 1 899 . 1 1 91 91 VAL C C 13 176.6 0.2 . 1 . . . . 91 VAL C . 7087 1 900 . 1 1 91 91 VAL CA C 13 61.0 0.2 . 1 . . . . 91 VAL CA . 7087 1 901 . 1 1 91 91 VAL CB C 13 32.9 0.2 . 1 . . . . 91 VAL CB . 7087 1 902 . 1 1 91 91 VAL N N 15 128.6 0.1 . 1 . . . . 91 VAL N . 7087 1 903 . 1 1 92 92 ILE H H 1 9.24 0.01 . 1 . . . . 92 ILE H . 7087 1 904 . 1 1 92 92 ILE HA H 1 4.69 0.01 . 1 . . . . 92 ILE HA . 7087 1 905 . 1 1 92 92 ILE HB H 1 1.56 0.01 . 1 . . . . 92 ILE HB . 7087 1 906 . 1 1 92 92 ILE HG12 H 1 1.36 0.01 . 2 . . . . 92 ILE HG12 . 7087 1 907 . 1 1 92 92 ILE HG13 H 1 0.16 0.01 . 2 . . . . 92 ILE HG13 . 7087 1 908 . 1 1 92 92 ILE HG21 H 1 0.55 0.01 . 1 . . . . 92 ILE HG2 . 7087 1 909 . 1 1 92 92 ILE HG22 H 1 0.55 0.01 . 1 . . . . 92 ILE HG2 . 7087 1 910 . 1 1 92 92 ILE HG23 H 1 0.55 0.01 . 1 . . . . 92 ILE HG2 . 7087 1 911 . 1 1 92 92 ILE HD11 H 1 0.16 0.01 . 1 . . . . 92 ILE HD1 . 7087 1 912 . 1 1 92 92 ILE HD12 H 1 0.16 0.01 . 1 . . . . 92 ILE HD1 . 7087 1 913 . 1 1 92 92 ILE HD13 H 1 0.16 0.01 . 1 . . . . 92 ILE HD1 . 7087 1 914 . 1 1 92 92 ILE C C 13 175.5 0.2 . 1 . . . . 92 ILE C . 7087 1 915 . 1 1 92 92 ILE CA C 13 60.0 0.2 . 1 . . . . 92 ILE CA . 7087 1 916 . 1 1 92 92 ILE CB C 13 39.9 0.2 . 1 . . . . 92 ILE CB . 7087 1 917 . 1 1 92 92 ILE CG1 C 13 27.5 0.2 . 1 . . . . 92 ILE CG1 . 7087 1 918 . 1 1 92 92 ILE CG2 C 13 16.9 0.2 . 1 . . . . 92 ILE CG2 . 7087 1 919 . 1 1 92 92 ILE CD1 C 13 16.9 0.2 . 1 . . . . 92 ILE CD1 . 7087 1 920 . 1 1 92 92 ILE N N 15 129.9 0.1 . 1 . . . . 92 ILE N . 7087 1 921 . 1 1 93 93 GLY H H 1 8.70 0.01 . 1 . . . . 93 GLY H . 7087 1 922 . 1 1 93 93 GLY HA2 H 1 4.86 0.01 . 1 . . . . 93 GLY HA2 . 7087 1 923 . 1 1 93 93 GLY HA3 H 1 3.96 0.01 . 1 . . . . 93 GLY HA3 . 7087 1 924 . 1 1 93 93 GLY C C 13 173.0 0.2 . 1 . . . . 93 GLY C . 7087 1 925 . 1 1 93 93 GLY CA C 13 43.2 0.2 . 1 . . . . 93 GLY CA . 7087 1 926 . 1 1 93 93 GLY N N 15 113.7 0.1 . 1 . . . . 93 GLY N . 7087 1 927 . 1 1 94 94 VAL H H 1 8.45 0.01 . 1 . . . . 94 VAL H . 7087 1 928 . 1 1 94 94 VAL HA H 1 4.63 0.01 . 1 . . . . 94 VAL HA . 7087 1 929 . 1 1 94 94 VAL HB H 1 2.08 0.01 . 1 . . . . 94 VAL HB . 7087 1 930 . 1 1 94 94 VAL HG11 H 1 0.91 0.01 . 1 . . . . 94 VAL HG1 . 7087 1 931 . 1 1 94 94 VAL HG12 H 1 0.91 0.01 . 1 . . . . 94 VAL HG1 . 7087 1 932 . 1 1 94 94 VAL HG13 H 1 0.91 0.01 . 1 . . . . 94 VAL HG1 . 7087 1 933 . 1 1 94 94 VAL HG21 H 1 0.91 0.01 . 1 . . . . 94 VAL HG2 . 7087 1 934 . 1 1 94 94 VAL HG22 H 1 0.91 0.01 . 1 . . . . 94 VAL HG2 . 7087 1 935 . 1 1 94 94 VAL HG23 H 1 0.91 0.01 . 1 . . . . 94 VAL HG2 . 7087 1 936 . 1 1 94 94 VAL C C 13 176.7 0.2 . 1 . . . . 94 VAL C . 7087 1 937 . 1 1 94 94 VAL CA C 13 60.0 0.2 . 1 . . . . 94 VAL CA . 7087 1 938 . 1 1 94 94 VAL CB C 13 35.4 0.2 . 1 . . . . 94 VAL CB . 7087 1 939 . 1 1 94 94 VAL CG1 C 13 21.3 0.2 . 2 . . . . 94 VAL CG1 . 7087 1 940 . 1 1 94 94 VAL CG2 C 13 19.2 0.2 . 2 . . . . 94 VAL CG2 . 7087 1 941 . 1 1 94 94 VAL N N 15 112.9 0.1 . 1 . . . . 94 VAL N . 7087 1 942 . 1 1 95 95 GLY H H 1 8.60 0.01 . 1 . . . . 95 GLY H . 7087 1 943 . 1 1 95 95 GLY HA2 H 1 3.80 0.01 . 1 . . . . 95 GLY HA2 . 7087 1 944 . 1 1 95 95 GLY HA3 H 1 4.11 0.01 . 1 . . . . 95 GLY HA3 . 7087 1 945 . 1 1 95 95 GLY CA C 13 45.5 0.2 . 1 . . . . 95 GLY CA . 7087 1 946 . 1 1 95 95 GLY N N 15 110.4 0.1 . 1 . . . . 95 GLY N . 7087 1 947 . 1 1 97 97 SER HA H 1 4.60 0.01 . 1 . . . . 97 SER HA . 7087 1 948 . 1 1 97 97 SER HB2 H 1 4.08 0.01 . 2 . . . . 97 SER HB2 . 7087 1 949 . 1 1 97 97 SER HB3 H 1 3.94 0.01 . 2 . . . . 97 SER HB3 . 7087 1 950 . 1 1 97 97 SER C C 13 173.9 0.2 . 1 . . . . 97 SER C . 7087 1 951 . 1 1 97 97 SER CA C 13 57.6 0.2 . 1 . . . . 97 SER CA . 7087 1 952 . 1 1 97 97 SER CB C 13 64.00 0.2 . 1 . . . . 97 SER CB . 7087 1 953 . 1 1 98 98 ALA H H 1 7.13 0.01 . 1 . . . . 98 ALA H . 7087 1 954 . 1 1 98 98 ALA HA H 1 4.26 0.01 . 1 . . . . 98 ALA HA . 7087 1 955 . 1 1 98 98 ALA HB1 H 1 0.98 0.01 . 1 . . . . 98 ALA HB . 7087 1 956 . 1 1 98 98 ALA HB2 H 1 0.98 0.01 . 1 . . . . 98 ALA HB . 7087 1 957 . 1 1 98 98 ALA HB3 H 1 0.98 0.01 . 1 . . . . 98 ALA HB . 7087 1 958 . 1 1 98 98 ALA C C 13 177.2 0.2 . 1 . . . . 98 ALA C . 7087 1 959 . 1 1 98 98 ALA CA C 13 53.4 0.2 . 1 . . . . 98 ALA CA . 7087 1 960 . 1 1 98 98 ALA CB C 13 18.7 0.2 . 1 . . . . 98 ALA CB . 7087 1 961 . 1 1 98 98 ALA N N 15 125.0 0.1 . 1 . . . . 98 ALA N . 7087 1 962 . 1 1 99 99 LEU H H 1 9.09 0.01 . 1 . . . . 99 LEU H . 7087 1 963 . 1 1 99 99 LEU HA H 1 4.57 0.01 . 1 . . . . 99 LEU HA . 7087 1 964 . 1 1 99 99 LEU HB2 H 1 1.74 0.01 . 1 . . . . 99 LEU HB2 . 7087 1 965 . 1 1 99 99 LEU HB3 H 1 1.74 0.01 . 1 . . . . 99 LEU HB3 . 7087 1 966 . 1 1 99 99 LEU HG H 1 1.61 0.01 . 1 . . . . 99 LEU HG . 7087 1 967 . 1 1 99 99 LEU HD11 H 1 0.88 0.01 . 1 . . . . 99 LEU HD1 . 7087 1 968 . 1 1 99 99 LEU HD12 H 1 0.88 0.01 . 1 . . . . 99 LEU HD1 . 7087 1 969 . 1 1 99 99 LEU HD13 H 1 0.88 0.01 . 1 . . . . 99 LEU HD1 . 7087 1 970 . 1 1 99 99 LEU HD21 H 1 0.75 0.01 . 1 . . . . 99 LEU HD2 . 7087 1 971 . 1 1 99 99 LEU HD22 H 1 0.75 0.01 . 1 . . . . 99 LEU HD2 . 7087 1 972 . 1 1 99 99 LEU HD23 H 1 0.75 0.01 . 1 . . . . 99 LEU HD2 . 7087 1 973 . 1 1 99 99 LEU C C 13 175.6 0.2 . 1 . . . . 99 LEU C . 7087 1 974 . 1 1 99 99 LEU CA C 13 54.4 0.2 . 1 . . . . 99 LEU CA . 7087 1 975 . 1 1 99 99 LEU CB C 13 44.0 0.2 . 1 . . . . 99 LEU CB . 7087 1 976 . 1 1 99 99 LEU CG C 13 24.3 0.2 . 4 . . . . 99 LEU CG . 7087 1 977 . 1 1 99 99 LEU N N 15 125.8 0.1 . 1 . . . . 99 LEU N . 7087 1 978 . 1 1 100 100 THR H H 1 8.54 0.01 . 1 . . . . 100 THR H . 7087 1 979 . 1 1 100 100 THR HA H 1 5.10 0.01 . 1 . . . . 100 THR HA . 7087 1 980 . 1 1 100 100 THR HB H 1 3.94 0.01 . 1 . . . . 100 THR HB . 7087 1 981 . 1 1 100 100 THR HG21 H 1 1.03 0.01 . 1 . . . . 100 THR HG2 . 7087 1 982 . 1 1 100 100 THR HG22 H 1 1.03 0.01 . 1 . . . . 100 THR HG2 . 7087 1 983 . 1 1 100 100 THR HG23 H 1 1.03 0.01 . 1 . . . . 100 THR HG2 . 7087 1 984 . 1 1 100 100 THR C C 13 174.2 0.2 . 1 . . . . 100 THR C . 7087 1 985 . 1 1 100 100 THR CA C 13 61.7 0.2 . 1 . . . . 100 THR CA . 7087 1 986 . 1 1 100 100 THR CB C 13 70.0 0.2 . 1 . . . . 100 THR CB . 7087 1 987 . 1 1 100 100 THR CG2 C 13 21.8 0.2 . 1 . . . . 100 THR CG2 . 7087 1 988 . 1 1 100 100 THR N N 15 119.1 0.1 . 1 . . . . 100 THR N . 7087 1 989 . 1 1 101 101 LEU H H 1 9.67 0.01 . 1 . . . . 101 LEU H . 7087 1 990 . 1 1 101 101 LEU HA H 1 4.85 0.01 . 1 . . . . 101 LEU HA . 7087 1 991 . 1 1 101 101 LEU HB2 H 1 1.79 0.01 . 4 . . . . 101 LEU HB2 . 7087 1 992 . 1 1 101 101 LEU HB3 H 1 1.79 0.01 . 4 . . . . 101 LEU HB3 . 7087 1 993 . 1 1 101 101 LEU HG H 1 1.66 0.01 . 4 . . . . 101 LEU HG . 7087 1 994 . 1 1 101 101 LEU HD11 H 1 0.90 0.01 . 1 . . . . 101 LEU HD1 . 7087 1 995 . 1 1 101 101 LEU HD12 H 1 0.90 0.01 . 1 . . . . 101 LEU HD1 . 7087 1 996 . 1 1 101 101 LEU HD13 H 1 0.90 0.01 . 1 . . . . 101 LEU HD1 . 7087 1 997 . 1 1 101 101 LEU HD21 H 1 0.90 0.01 . 1 . . . . 101 LEU HD2 . 7087 1 998 . 1 1 101 101 LEU HD22 H 1 0.90 0.01 . 1 . . . . 101 LEU HD2 . 7087 1 999 . 1 1 101 101 LEU HD23 H 1 0.90 0.01 . 1 . . . . 101 LEU HD2 . 7087 1 1000 . 1 1 101 101 LEU C C 13 175.5 0.2 . 1 . . . . 101 LEU C . 7087 1 1001 . 1 1 101 101 LEU CA C 13 53.3 0.2 . 1 . . . . 101 LEU CA . 7087 1 1002 . 1 1 101 101 LEU CB C 13 43.7 0.2 . 1 . . . . 101 LEU CB . 7087 1 1003 . 1 1 101 101 LEU CG C 13 25.8 0.2 . 4 . . . . 101 LEU CG . 7087 1 1004 . 1 1 101 101 LEU CD1 C 13 23.9 0.2 . 4 . . . . 101 LEU CD1 . 7087 1 1005 . 1 1 101 101 LEU CD2 C 13 23.9 0.2 . 4 . . . . 101 LEU CD2 . 7087 1 1006 . 1 1 101 101 LEU N N 15 129.1 0.1 . 1 . . . . 101 LEU N . 7087 1 1007 . 1 1 102 102 HIS H H 1 8.85 0.01 . 1 . . . . 102 HIS H . 7087 1 1008 . 1 1 102 102 HIS HA H 1 4.75 0.01 . 1 . . . . 102 HIS HA . 7087 1 1009 . 1 1 102 102 HIS HB2 H 1 3.17 0.01 . 2 . . . . 102 HIS HB2 . 7087 1 1010 . 1 1 102 102 HIS HB3 H 1 3.01 0.01 . 2 . . . . 102 HIS HB3 . 7087 1 1011 . 1 1 102 102 HIS HD2 H 1 6.43 0.01 . 1 . . . . 102 HIS HD2 . 7087 1 1012 . 1 1 102 102 HIS HE1 H 1 7.67 0.01 . 1 . . . . 102 HIS HE1 . 7087 1 1013 . 1 1 102 102 HIS C C 13 173.7 0.2 . 1 . . . . 102 HIS C . 7087 1 1014 . 1 1 102 102 HIS CA C 13 56.1 0.2 . 1 . . . . 102 HIS CA . 7087 1 1015 . 1 1 102 102 HIS CB C 13 31.8 0.2 . 1 . . . . 102 HIS CB . 7087 1 1016 . 1 1 102 102 HIS CD2 C 13 117.8 0.2 . 1 . . . . 102 HIS CD2 . 7087 1 1017 . 1 1 102 102 HIS CE1 C 13 137.1 0.2 . 1 . . . . 102 HIS CE2 . 7087 1 1018 . 1 1 102 102 HIS N N 15 124.2 0.1 . 1 . . . . 102 HIS N . 7087 1 1019 . 1 1 103 103 TRP H H 1 8.56 0.01 . 1 . . . . 103 TRP H . 7087 1 1020 . 1 1 103 103 TRP HA H 1 4.50 0.01 . 1 . . . . 103 TRP HA . 7087 1 1021 . 1 1 103 103 TRP HB2 H 1 2.75 0.01 . 2 . . . . 103 TRP HB2 . 7087 1 1022 . 1 1 103 103 TRP HB3 H 1 2.63 0.01 . 2 . . . . 103 TRP HB3 . 7087 1 1023 . 1 1 103 103 TRP HD1 H 1 6.95 0.01 . 1 . . . . 103 TRP HD1 . 7087 1 1024 . 1 1 103 103 TRP HE1 H 1 10.34 0.01 . 1 . . . . 103 TRP HE1 . 7087 1 1025 . 1 1 103 103 TRP HE3 H 1 7.63 0.01 . 1 . . . . 103 TRP HE3 . 7087 1 1026 . 1 1 103 103 TRP HZ2 H 1 7.35 0.01 . 1 . . . . 103 TRP HZ2 . 7087 1 1027 . 1 1 103 103 TRP HZ3 H 1 7.05 0.01 . 1 . . . . 103 TRP HZ3 . 7087 1 1028 . 1 1 103 103 TRP HH2 H 1 7.07 0.01 . 1 . . . . 103 TRP HH2 . 7087 1 1029 . 1 1 103 103 TRP C C 13 171.8 0.2 . 1 . . . . 103 TRP C . 7087 1 1030 . 1 1 103 103 TRP CA C 13 56.1 0.2 . 1 . . . . 103 TRP CA . 7087 1 1031 . 1 1 103 103 TRP CB C 13 33.2 0.2 . 1 . . . . 103 TRP CB . 7087 1 1032 . 1 1 103 103 TRP CD1 C 13 126.6 0.2 . 1 . . . . 103 TRP CD1 . 7087 1 1033 . 1 1 103 103 TRP CE3 C 13 121.5 0.2 . 1 . . . . 103 TRP CE3 . 7087 1 1034 . 1 1 103 103 TRP CZ2 C 13 114.9 0.2 . 1 . . . . 103 TRP CZ2 . 7087 1 1035 . 1 1 103 103 TRP CZ3 C 13 124.1 0.2 . 1 . . . . 103 TRP CZ3 . 7087 1 1036 . 1 1 103 103 TRP CH2 C 13 121.9 0.2 . 1 . . . . 103 TRP CH2 . 7087 1 1037 . 1 1 103 103 TRP N N 15 129.9 0.1 . 1 . . . . 103 TRP N . 7087 1 1038 . 1 1 103 103 TRP NE1 N 15 129.4 0.1 . 1 . . . . 103 TRP NE1 . 7087 1 1039 . 1 1 104 104 PHE H H 1 6.33 0.01 . 1 . . . . 104 PHE H . 7087 1 1040 . 1 1 104 104 PHE HA H 1 4.76 0.01 . 1 . . . . 104 PHE HA . 7087 1 1041 . 1 1 104 104 PHE HB2 H 1 2.53 0.01 . 1 . . . . 104 PHE HB2 . 7087 1 1042 . 1 1 104 104 PHE HB3 H 1 2.42 0.01 . 1 . . . . 104 PHE HB3 . 7087 1 1043 . 1 1 104 104 PHE HD1 H 1 6.95 0.01 . 1 . . . . 104 PHE HD1 . 7087 1 1044 . 1 1 104 104 PHE HD2 H 1 6.95 0.01 . 1 . . . . 104 PHE HD2 . 7087 1 1045 . 1 1 104 104 PHE HE1 H 1 7.17 0.01 . 1 . . . . 104 PHE HE1 . 7087 1 1046 . 1 1 104 104 PHE HE2 H 1 7.17 0.01 . 1 . . . . 104 PHE HE2 . 7087 1 1047 . 1 1 104 104 PHE HZ H 1 7.24 0.01 . 1 . . . . 104 PHE HZ . 7087 1 1048 . 1 1 104 104 PHE C C 13 172.2 0.01 . 1 . . . . 104 PHE C . 7087 1 1049 . 1 1 104 104 PHE CA C 13 55.8 0.01 . 1 . . . . 104 PHE CA . 7087 1 1050 . 1 1 104 104 PHE CB C 13 41.4 0.01 . 1 . . . . 104 PHE CB . 7087 1 1051 . 1 1 104 104 PHE CD1 C 13 131.1 0.2 . 1 . . . . 104 PHE CD1 . 7087 1 1052 . 1 1 104 104 PHE CD2 C 13 131.1 0.2 . 1 . . . . 104 PHE CD2 . 7087 1 1053 . 1 1 104 104 PHE CE1 C 13 131.6 0.2 . 1 . . . . 104 PHE CE1 . 7087 1 1054 . 1 1 104 104 PHE CE2 C 13 131.6 0.2 . 1 . . . . 104 PHE CE2 . 7087 1 1055 . 1 1 104 104 PHE CZ C 13 130.0 0.2 . 1 . . . . 104 PHE CZ . 7087 1 1056 . 1 1 104 104 PHE N N 15 124.5 0.1 . 1 . . . . 104 PHE N . 7087 1 1057 . 1 1 105 105 ARG H H 1 7.77 0.01 . 1 . . . . 105 ARG H . 7087 1 1058 . 1 1 105 105 ARG HA H 1 4.34 0.01 . 1 . . . . 105 ARG HA . 7087 1 1059 . 1 1 105 105 ARG HB2 H 1 2.06 0.01 . 1 . . . . 105 ARG HB2 . 7087 1 1060 . 1 1 105 105 ARG HB3 H 1 2.06 0.01 . 1 . . . . 105 ARG HB3 . 7087 1 1061 . 1 1 105 105 ARG HG2 H 1 1.32 0.01 . 1 . . . . 105 ARG HG2 . 7087 1 1062 . 1 1 105 105 ARG HG3 H 1 1.73 0.01 . 1 . . . . 105 ARG HG3 . 7087 1 1063 . 1 1 105 105 ARG C C 13 175.3 0.2 . 1 . . . . 105 ARG C . 7087 1 1064 . 1 1 105 105 ARG CA C 13 54.3 0.2 . 1 . . . . 105 ARG CA . 7087 1 1065 . 1 1 105 105 ARG CB C 13 32.0 0.2 . 1 . . . . 105 ARG CB . 7087 1 1066 . 1 1 105 105 ARG CG C 13 26.8 0.2 . 1 . . . . 105 ARG CG . 7087 1 1067 . 1 1 106 106 LYS H H 1 8.67 0.01 . 1 . . . . 106 LYS H . 7087 1 1068 . 1 1 106 106 LYS HA H 1 4.07 0.01 . 1 . . . . 106 LYS HA . 7087 1 1069 . 1 1 106 106 LYS HB2 H 1 1.86 0.01 . 1 . . . . 106 LYS HB2 . 7087 1 1070 . 1 1 106 106 LYS HB3 H 1 1.86 0.01 . 1 . . . . 106 LYS HB3 . 7087 1 1071 . 1 1 106 106 LYS HG2 H 1 1.53 0.01 . 1 . . . . 106 LYS HG2 . 7087 1 1072 . 1 1 106 106 LYS HG3 H 1 1.53 0.01 . 1 . . . . 106 LYS HG3 . 7087 1 1073 . 1 1 106 106 LYS C C 13 175.9 . . . . . . . 106 LYS C . 7087 1 1074 . 1 1 106 106 LYS CA C 13 56.7 0.2 . 1 . . . . 106 LYS CA . 7087 1 1075 . 1 1 106 106 LYS CB C 13 32.6 0.2 . 1 . . . . 106 LYS CB . 7087 1 1076 . 1 1 106 106 LYS N N 15 129.4 0.1 . 1 . . . . 106 LYS N . 7087 1 1077 . 1 1 107 107 GLY H H 1 8.33 0.01 . 1 . . . . 107 GLY H . 7087 1 1078 . 1 1 107 107 GLY N N 15 109.0 . . . . . . . 107 GLY N . 7087 1 1079 . 1 1 110 110 ILE HA H 1 4.17 0.01 . 1 . . . . 110 ILE HA . 7087 1 1080 . 1 1 110 110 ILE HB H 1 1.86 0.01 . 1 . . . . 110 ILE HB . 7087 1 1081 . 1 1 110 110 ILE HG12 H 1 1.41 0.01 . 2 . . . . 110 ILE HG12 . 7087 1 1082 . 1 1 110 110 ILE HG13 H 1 1.15 0.01 . 2 . . . . 110 ILE HG13 . 7087 1 1083 . 1 1 110 110 ILE HG21 H 1 0.88 0.01 . 1 . . . . 110 ILE HG2 . 7087 1 1084 . 1 1 110 110 ILE HG22 H 1 0.88 0.01 . 1 . . . . 110 ILE HG2 . 7087 1 1085 . 1 1 110 110 ILE HG23 H 1 0.88 0.01 . 1 . . . . 110 ILE HG2 . 7087 1 1086 . 1 1 110 110 ILE HD11 H 1 0.83 0.01 . 1 . . . . 110 ILE HD1 . 7087 1 1087 . 1 1 110 110 ILE HD12 H 1 0.83 0.01 . 1 . . . . 110 ILE HD1 . 7087 1 1088 . 1 1 110 110 ILE HD13 H 1 0.83 0.01 . 1 . . . . 110 ILE HD1 . 7087 1 1089 . 1 1 110 110 ILE C C 13 176.7 0.2 . 1 . . . . 110 ILE C . 7087 1 1090 . 1 1 110 110 ILE CA C 13 61.4 0.2 . 1 . . . . 110 ILE CA . 7087 1 1091 . 1 1 110 110 ILE CB C 13 38.2 0.2 . 1 . . . . 110 ILE CB . 7087 1 1092 . 1 1 110 110 ILE CG1 C 13 27.0 0.2 . 1 . . . . 110 ILE CG1 . 7087 1 1093 . 1 1 110 110 ILE CG2 C 13 17.5 0.2 . 1 . . . . 110 ILE CG2 . 7087 1 1094 . 1 1 110 110 ILE CD1 C 13 12.7 0.2 . 1 . . . . 110 ILE CD1 . 7087 1 1095 . 1 1 111 111 GLY H H 1 8.37 0.01 . 1 . . . . 111 GLY H . 7087 1 1096 . 1 1 111 111 GLY HA2 H 1 3.90 0.01 . 1 . . . . 111 GLY HA2 . 7087 1 1097 . 1 1 111 111 GLY HA3 H 1 3.90 0.01 . 1 . . . . 111 GLY HA3 . 7087 1 1098 . 1 1 111 111 GLY C C 13 173.1 0.2 . 1 . . . . 111 GLY C . 7087 1 1099 . 1 1 111 111 GLY CA C 13 45.2 0.2 . 1 . . . . 111 GLY CA . 7087 1 1100 . 1 1 111 111 GLY N N 15 113.4 0.2 . 1 . . . . 111 GLY N . 7087 1 1101 . 1 1 112 112 LYS H H 1 7.74 0.01 . 1 . . . . 112 LYS H . 7087 1 1102 . 1 1 112 112 LYS HA H 1 4.15 0.01 . 1 . . . . 112 LYS HA . 7087 1 1103 . 1 1 112 112 LYS HB2 H 1 1.81 0.01 . 2 . . . . 112 LYS HB2 . 7087 1 1104 . 1 1 112 112 LYS HB3 H 1 1.67 0.01 . 2 . . . . 112 LYS HB3 . 7087 1 1105 . 1 1 112 112 LYS HG2 H 1 1.34 0.01 . 1 . . . . 112 LYS HG2 . 7087 1 1106 . 1 1 112 112 LYS HG3 H 1 1.34 0.01 . 1 . . . . 112 LYS HG3 . 7087 1 1107 . 1 1 112 112 LYS HD2 H 1 1.81 0.01 . 2 . . . . 112 LYS HD2 . 7087 1 1108 . 1 1 112 112 LYS HD3 H 1 1.66 0.01 . 2 . . . . 112 LYS HD3 . 7087 1 1109 . 1 1 112 112 LYS HE2 H 1 2.95 0.01 . 1 . . . . 112 LYS HE2 . 7087 1 1110 . 1 1 112 112 LYS HE3 H 1 2.95 0.01 . 1 . . . . 112 LYS HE3 . 7087 1 1111 . 1 1 112 112 LYS CA C 13 57.5 0.2 . 1 . . . . 112 LYS CA . 7087 1 1112 . 1 1 112 112 LYS CB C 13 33.56 0.2 . 1 . . . . 112 LYS CB . 7087 1 1113 . 1 1 112 112 LYS CG C 13 24.6 0.2 . 1 . . . . 112 LYS CG . 7087 1 1114 . 1 1 112 112 LYS N N 15 126.0 0.1 . 1 . . . . 112 LYS N . 7087 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 6 7087 1 1 7 7087 1 1 8 7087 1 1 9 7087 1 1 10 7087 1 1 11 7087 1 2 438 7087 1 2 439 7087 1 2 440 7087 1 2 441 7087 1 2 442 7087 1 2 443 7087 1 2 448 7087 1 2 449 7087 1 3 548 7087 1 3 549 7087 1 3 552 7087 1 3 553 7087 1 4 761 7087 1 4 762 7087 1 5 873 7087 1 5 874 7087 1 5 875 7087 1 5 876 7087 1 5 877 7087 1 5 878 7087 1 5 972 7087 1 6 987 7087 1 6 988 7087 1 6 989 7087 1 6 999 7087 1 6 1000 7087 1 6 1001 7087 1 stop_ save_