data_6655 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6655 _Entry.Title ; Solution Structure of the N-terminal Zinc Fingers of the Xenopus laevis double stranded RNA binding protein ZFa ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2005-06-06 _Entry.Accession_date 2005-06-06 _Entry.Last_release_date 2005-11-01 _Entry.Original_release_date 2005-11-01 _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 . _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 Peter Wright . E. . 6655 2 Heiko Moller . M. . 6655 3 Maria Martinez-Yamout . A. . 6655 4 H. Dyson . Jane . 6655 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID . . 'The Scripps Research Institute' . 6655 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6655 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 528 6655 '15N chemical shifts' 141 6655 '1H chemical shifts' 825 6655 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2005-11-01 2005-06-06 original author . 6655 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6655 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 16051273 _Citation.Full_citation . _Citation.Title ; Solution Structure of the N-terminal Zinc Fingers of the Xenopus laevis double-stranded RNA-binding Protein ZFa. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume 351 _Citation.Journal_issue 4 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 718 _Citation.Page_last 730 _Citation.Year 2005 _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 Heiko Moller . M. . 6655 1 2 Maria Martinez-Yamout . A. . 6655 1 3 H. Dyson . Jane . 6655 1 4 Peter Wright . E. . 6655 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID helix-loop-helix 6655 1 helix-turn-helix 6655 1 JAZ 6655 1 NMR 6655 1 PAG608 6655 1 wig-1 6655 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 6655 _Assembly.ID 1 _Assembly.Name 'Zinc finger domains 1 and 2 of dsRBP-ZFa' _Assembly.BMRB_code . _Assembly.Number_of_components 3 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 2 _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites no _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state 'other bound and free' _Assembly.Molecular_mass 14176.8 _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID 'protein-ligand system' 6655 1 stop_ loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 dsRBP-ZFa 1 $zinc_finger_protein . . yes native no no 1 polypeptide . 6655 1 2 'Zinc ion, I' 2 $ZN . . yes native no no . 'chelated metal ion' . 6655 1 3 'Zinc ion, II' 2 $ZN . . yes native no no . 'chelated metal ion' . 6655 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 coordination single . 1 . 1 CYS 35 35 SG . 2 . 2 ZN 1 1 ZN . . . . . . . . . . 6655 1 2 coordination single . 1 . 1 CYS 38 38 SG . 2 . 2 ZN 1 1 ZN . . . . . . . . . . 6655 1 3 coordination single . 1 . 1 HIS 51 51 NE2 . 2 . 2 ZN 1 1 ZN . . . . . . . . . . 6655 1 4 coordination single . 1 . 1 HIS 57 57 ND1 . 2 . 2 ZN 1 1 ZN . . . . . . . . . . 6655 1 5 coordination single . 1 . 1 CYS 96 96 SG . 3 . 2 ZN 1 1 ZN . . . . . . . . . . 6655 1 6 coordination single . 1 . 1 CYS 99 99 SG . 3 . 2 ZN 1 1 ZN . . . . . . . . . . 6655 1 7 coordination single . 1 . 1 HIS 112 112 NE2 . 3 . 2 ZN 1 1 ZN . . . . . . . . . . 6655 1 8 coordination single . 1 . 1 HIS 118 118 ND1 . 3 . 2 ZN 1 1 ZN . . . . . . . . . . 6655 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 35 35 HG . . . . 6655 1 2 . 1 1 CYS 38 38 HG . . . . 6655 1 3 . 1 1 HIS 51 51 HE2 . . . . 6655 1 4 . 1 1 HIS 57 57 HD1 . . . . 6655 1 5 . 1 1 CYS 96 96 HG . . . . 6655 1 6 . 1 1 CYS 99 99 HG . . . . 6655 1 7 . 1 1 HIS 112 112 HE2 . . . . 6655 1 8 . 1 1 HIS 118 118 HD1 . . . . 6655 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'dsRNA binding' 6655 1 stop_ loop_ _Assembly_keyword.Keyword _Assembly_keyword.Entry_ID _Assembly_keyword.Assembly_ID helix-loop-helix 6655 1 helix-turn-helix 6655 1 JAZ 6655 1 NMR 6655 1 PAG608 6655 1 wig-1 6655 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_zinc_finger_protein _Entity.Sf_category entity _Entity.Sf_framecode zinc_finger_protein _Entity.Entry_ID 6655 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name dsRBP-ZFa _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 ; ADEFGNGDALDLPVGKDAVN SLIRENSHIFSDTQCKVCSA VLISESQKLAHYQSRKHANK VRRYMAINQGEDSVPAKKFK AAPAEISDGEDRSKCCPVCN MTFSSPVVAESHYIGKTHIK NLRLREQ ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 'expressed sequence comprises residues 2-128 of full dsRBP-ZFa' _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 127 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'other bound and free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 14048.8 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details ; Formula weight is 14048.8 without zinc and 14176.8 with two zinc ions bound. Finerty, P. J. & Bass, B. L. (1997), J. Mol. Biol. 271, 195-208. ; _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 yes PDB 1ZU1 . . . . . . . . . . . . . . . . 6655 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'dsRNA binding' 6655 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID DsRBP-ZFa . 6655 1 stop_ loop_ _Entity_keyword.Keyword _Entity_keyword.Entry_ID _Entity_keyword.Entity_ID helix-loop-helix 6655 1 helix-turn-helix 6655 1 JAZ 6655 1 NMR 6655 1 PAG608 6655 1 wig-1 6655 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 2 ALA . 6655 1 2 3 ASP . 6655 1 3 4 GLU . 6655 1 4 5 PHE . 6655 1 5 6 GLY . 6655 1 6 7 ASN . 6655 1 7 8 GLY . 6655 1 8 9 ASP . 6655 1 9 10 ALA . 6655 1 10 11 LEU . 6655 1 11 12 ASP . 6655 1 12 13 LEU . 6655 1 13 14 PRO . 6655 1 14 15 VAL . 6655 1 15 16 GLY . 6655 1 16 17 LYS . 6655 1 17 18 ASP . 6655 1 18 19 ALA . 6655 1 19 20 VAL . 6655 1 20 21 ASN . 6655 1 21 22 SER . 6655 1 22 23 LEU . 6655 1 23 24 ILE . 6655 1 24 25 ARG . 6655 1 25 26 GLU . 6655 1 26 27 ASN . 6655 1 27 28 SER . 6655 1 28 29 HIS . 6655 1 29 30 ILE . 6655 1 30 31 PHE . 6655 1 31 32 SER . 6655 1 32 33 ASP . 6655 1 33 34 THR . 6655 1 34 35 GLN . 6655 1 35 36 CYS . 6655 1 36 37 LYS . 6655 1 37 38 VAL . 6655 1 38 39 CYS . 6655 1 39 40 SER . 6655 1 40 41 ALA . 6655 1 41 42 VAL . 6655 1 42 43 LEU . 6655 1 43 44 ILE . 6655 1 44 45 SER . 6655 1 45 46 GLU . 6655 1 46 47 SER . 6655 1 47 48 GLN . 6655 1 48 49 LYS . 6655 1 49 50 LEU . 6655 1 50 51 ALA . 6655 1 51 52 HIS . 6655 1 52 53 TYR . 6655 1 53 54 GLN . 6655 1 54 55 SER . 6655 1 55 56 ARG . 6655 1 56 57 LYS . 6655 1 57 58 HIS . 6655 1 58 59 ALA . 6655 1 59 60 ASN . 6655 1 60 61 LYS . 6655 1 61 62 VAL . 6655 1 62 63 ARG . 6655 1 63 64 ARG . 6655 1 64 65 TYR . 6655 1 65 66 MET . 6655 1 66 67 ALA . 6655 1 67 68 ILE . 6655 1 68 69 ASN . 6655 1 69 70 GLN . 6655 1 70 71 GLY . 6655 1 71 72 GLU . 6655 1 72 73 ASP . 6655 1 73 74 SER . 6655 1 74 75 VAL . 6655 1 75 76 PRO . 6655 1 76 77 ALA . 6655 1 77 78 LYS . 6655 1 78 79 LYS . 6655 1 79 80 PHE . 6655 1 80 81 LYS . 6655 1 81 82 ALA . 6655 1 82 83 ALA . 6655 1 83 84 PRO . 6655 1 84 85 ALA . 6655 1 85 86 GLU . 6655 1 86 87 ILE . 6655 1 87 88 SER . 6655 1 88 89 ASP . 6655 1 89 90 GLY . 6655 1 90 91 GLU . 6655 1 91 92 ASP . 6655 1 92 93 ARG . 6655 1 93 94 SER . 6655 1 94 95 LYS . 6655 1 95 96 CYS . 6655 1 96 97 CYS . 6655 1 97 98 PRO . 6655 1 98 99 VAL . 6655 1 99 100 CYS . 6655 1 100 101 ASN . 6655 1 101 102 MET . 6655 1 102 103 THR . 6655 1 103 104 PHE . 6655 1 104 105 SER . 6655 1 105 106 SER . 6655 1 106 107 PRO . 6655 1 107 108 VAL . 6655 1 108 109 VAL . 6655 1 109 110 ALA . 6655 1 110 111 GLU . 6655 1 111 112 SER . 6655 1 112 113 HIS . 6655 1 113 114 TYR . 6655 1 114 115 ILE . 6655 1 115 116 GLY . 6655 1 116 117 LYS . 6655 1 117 118 THR . 6655 1 118 119 HIS . 6655 1 119 120 ILE . 6655 1 120 121 LYS . 6655 1 121 122 ASN . 6655 1 122 123 LEU . 6655 1 123 124 ARG . 6655 1 124 125 LEU . 6655 1 125 126 ARG . 6655 1 126 127 GLU . 6655 1 127 128 GLN . 6655 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 . ALA 1 1 6655 1 . ASP 2 2 6655 1 . GLU 3 3 6655 1 . PHE 4 4 6655 1 . GLY 5 5 6655 1 . ASN 6 6 6655 1 . GLY 7 7 6655 1 . ASP 8 8 6655 1 . ALA 9 9 6655 1 . LEU 10 10 6655 1 . ASP 11 11 6655 1 . LEU 12 12 6655 1 . PRO 13 13 6655 1 . VAL 14 14 6655 1 . GLY 15 15 6655 1 . LYS 16 16 6655 1 . ASP 17 17 6655 1 . ALA 18 18 6655 1 . VAL 19 19 6655 1 . ASN 20 20 6655 1 . SER 21 21 6655 1 . LEU 22 22 6655 1 . ILE 23 23 6655 1 . ARG 24 24 6655 1 . GLU 25 25 6655 1 . ASN 26 26 6655 1 . SER 27 27 6655 1 . HIS 28 28 6655 1 . ILE 29 29 6655 1 . PHE 30 30 6655 1 . SER 31 31 6655 1 . ASP 32 32 6655 1 . THR 33 33 6655 1 . GLN 34 34 6655 1 . CYS 35 35 6655 1 . LYS 36 36 6655 1 . VAL 37 37 6655 1 . CYS 38 38 6655 1 . SER 39 39 6655 1 . ALA 40 40 6655 1 . VAL 41 41 6655 1 . LEU 42 42 6655 1 . ILE 43 43 6655 1 . SER 44 44 6655 1 . GLU 45 45 6655 1 . SER 46 46 6655 1 . GLN 47 47 6655 1 . LYS 48 48 6655 1 . LEU 49 49 6655 1 . ALA 50 50 6655 1 . HIS 51 51 6655 1 . TYR 52 52 6655 1 . GLN 53 53 6655 1 . SER 54 54 6655 1 . ARG 55 55 6655 1 . LYS 56 56 6655 1 . HIS 57 57 6655 1 . ALA 58 58 6655 1 . ASN 59 59 6655 1 . LYS 60 60 6655 1 . VAL 61 61 6655 1 . ARG 62 62 6655 1 . ARG 63 63 6655 1 . TYR 64 64 6655 1 . MET 65 65 6655 1 . ALA 66 66 6655 1 . ILE 67 67 6655 1 . ASN 68 68 6655 1 . GLN 69 69 6655 1 . GLY 70 70 6655 1 . GLU 71 71 6655 1 . ASP 72 72 6655 1 . SER 73 73 6655 1 . VAL 74 74 6655 1 . PRO 75 75 6655 1 . ALA 76 76 6655 1 . LYS 77 77 6655 1 . LYS 78 78 6655 1 . PHE 79 79 6655 1 . LYS 80 80 6655 1 . ALA 81 81 6655 1 . ALA 82 82 6655 1 . PRO 83 83 6655 1 . ALA 84 84 6655 1 . GLU 85 85 6655 1 . ILE 86 86 6655 1 . SER 87 87 6655 1 . ASP 88 88 6655 1 . GLY 89 89 6655 1 . GLU 90 90 6655 1 . ASP 91 91 6655 1 . ARG 92 92 6655 1 . SER 93 93 6655 1 . LYS 94 94 6655 1 . CYS 95 95 6655 1 . CYS 96 96 6655 1 . PRO 97 97 6655 1 . VAL 98 98 6655 1 . CYS 99 99 6655 1 . ASN 100 100 6655 1 . MET 101 101 6655 1 . THR 102 102 6655 1 . PHE 103 103 6655 1 . SER 104 104 6655 1 . SER 105 105 6655 1 . PRO 106 106 6655 1 . VAL 107 107 6655 1 . VAL 108 108 6655 1 . ALA 109 109 6655 1 . GLU 110 110 6655 1 . SER 111 111 6655 1 . HIS 112 112 6655 1 . TYR 113 113 6655 1 . ILE 114 114 6655 1 . GLY 115 115 6655 1 . LYS 116 116 6655 1 . THR 117 117 6655 1 . HIS 118 118 6655 1 . ILE 119 119 6655 1 . LYS 120 120 6655 1 . ASN 121 121 6655 1 . LEU 122 122 6655 1 . ARG 123 123 6655 1 . LEU 124 124 6655 1 . ARG 125 125 6655 1 . GLU 126 126 6655 1 . GLN 127 127 6655 1 stop_ save_ save_ZN _Entity.Sf_category entity _Entity.Sf_framecode ZN _Entity.Entry_ID 6655 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name ZN _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _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 . _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID ZN _Entity.Nonpolymer_comp_label $chem_comp_ZN _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _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 . 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 . ZN . 6655 2 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 6655 _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 $zinc_finger_protein . 8355 organism . 'Xenopus Laevis' 'Xenopus Laevis' . . Eukaryota Metazoa xenopus laevis . . . . . . . . . . . . . . . . . . . . . 6655 1 stop_ loop_ _Natural_source_db.Entity_natural_src_ID _Natural_source_db.Entity_ID _Natural_source_db.Entity_label _Natural_source_db.Entity_chimera_segment_ID _Natural_source_db.Database_code _Natural_source_db.Database_type _Natural_source_db.Entry_code _Natural_source_db.Entry_type _Natural_source_db.ORF_code _Natural_source_db.Gene_locus_code _Natural_source_db.Gene_cDNA_code _Natural_source_db.Entry_ID _Natural_source_db.Entity_natural_src_list_ID . 1 $zinc_finger_protein . TrEMBL . O42147_XENLA . . . . 6655 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 6655 _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 $zinc_finger_protein . 'recombinant technology' . 'E. coli' . . . . . . . . . . . . . . . . . 'T7 expression vector' . . pET21a . Novagen . . . . 6655 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_ZN _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_ZN _Chem_comp.Entry_ID 6655 _Chem_comp.ID ZN _Chem_comp.Provenance . _Chem_comp.Name 'ZINC ION' _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code ZN _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 1999-07-08 _Chem_comp.Modified_date 2011-06-04 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code ZN _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 2 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula Zn _Chem_comp.Formula_weight 65.409 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Aug 8 10:36:42 2011 ; _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID InChI=1S/Zn/q+2 InChI InChI 1.03 6655 ZN PTFCDOFLOPIGGS-UHFFFAOYSA-N InChIKey InChI 1.03 6655 ZN [Zn++] SMILES CACTVS 3.341 6655 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 6655 ZN [Zn+2] SMILES ACDLabs 10.04 6655 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 6655 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 6655 ZN stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID zinc 'SYSTEMATIC NAME' ACDLabs 10.04 6655 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 6655 ZN stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID ZN . ZN . . ZN . . N 2 . . . . no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 6655 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_15N-dsRBP-ZFa _Sample.Sf_category sample _Sample.Sf_framecode 15N-dsRBP-ZFa _Sample.Entry_ID 6655 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'Uniformly 15N-labeled protein in H2O/D2O' _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 dsRBP-ZFa '[U-98% 15N]' . . 1 $zinc_finger_protein . protein 1 . . mM 0.2 . . . 6655 1 2 'Zinc ion' . . . 2 $ZN . ligand 2 . . mM 0.4 . . . 6655 1 3 H2O . . . . . . solvent 95 . . % . . . . 6655 1 4 D2O . . . . . . solvent 5 . . % . . . . 6655 1 5 NaCl . . . . . . salt 100 . . mM . . . . 6655 1 6 Tris . . . . . . buffer 25 . . mM . . . . 6655 1 7 DTT . . . . . . 'reducing agent' 2 . . mM . . . . 6655 1 stop_ save_ save_15N-13C-H2O-dsRBP-ZFa _Sample.Sf_category sample _Sample.Sf_framecode 15N-13C-H2O-dsRBP-ZFa _Sample.Entry_ID 6655 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'Uniformly 15N/13C-labeled protein in H2O/D2O' _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 dsRBP-ZFa '[U-98% 15N; U-98% 13C]' . . 1 $zinc_finger_protein . protein 1 . . mM 0.2 . . . 6655 2 2 'Zinc ion' . . . 2 $ZN . ligand 2 . . mM 0.4 . . . 6655 2 3 H2O . . . . . . solvent 95 . . % . . . . 6655 2 4 D2O . . . . . . solvent 5 . . % . . . . 6655 2 5 NaCl . . . . . . salt 100 . . mM . . . . 6655 2 6 Tris . . . . . . buffer 25 . . mM . . . . 6655 2 7 DTT . . . . . . 'reducing agent' 2 . . mM . . . . 6655 2 stop_ save_ save_15N-13C-D2O-dsRBP-ZFa _Sample.Sf_category sample _Sample.Sf_framecode 15N-13C-D2O-dsRBP-ZFa _Sample.Entry_ID 6655 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'Uniformly 15N/13C-labeled protein in D2O' _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 dsRBP-ZFa '[U-98% 15N; U-98% 13C]' . . 1 $zinc_finger_protein . protein 1 . . mM 0.2 . . . 6655 3 2 'Zinc ion' . . . 2 $ZN . ligand 2 . . mM 0.4 . . . 6655 3 3 D2O . . . . . . solvent 100 . . % . . . . 6655 3 4 NaCl . . . . . . salt 100 . . mM . . . . 6655 3 5 Tris . . . . . . buffer 25 . . mM . . . . 6655 3 6 DTT . . . . . . 'reducing agent' 2 . . mM . . . . 6655 3 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 6655 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.1 0.005 M 6655 1 pH 6.9 0.1 pH 6655 1 temperature 298 0.5 K 6655 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPIPE _Software.Sf_category software _Software.Sf_framecode NMRPIPE _Software.Entry_ID 6655 _Software.ID 1 _Software.Name NMRPipe _Software.Version 2.3 _Software.Details ; Delaglio, F., Grzesiek, S., Vuister, G. W., Guang, Z., Pfeifer, J., & Bax, A. (1995), J. Biomol. NMR 6, 277-293. ; loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID NIH . . 6655 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 6655 1 stop_ save_ save_XWINNMR _Software.Sf_category software _Software.Sf_framecode XWINNMR _Software.Entry_ID 6655 _Software.ID 2 _Software.Name xwinnmr _Software.Version 3.5 _Software.Details 'versions 2.1 to 3.5 were used.' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Bruker . . 6655 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID acquisition 6655 2 stop_ save_ save_NMRVIEW _Software.Sf_category software _Software.Sf_framecode NMRVIEW _Software.Entry_ID 6655 _Software.ID 3 _Software.Name NMRView _Software.Version 5.0.4 _Software.Details 'Johnson, B. A. & Blevins, R. A. (1994), J. Biomol. NMR 4, 604-613.' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'One moon scientific' . . 6655 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID analysis 6655 3 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 6655 _Software.ID 4 _Software.Name CYANA _Software.Version 1.0.5 _Software.Details 'Herrmann, T., Guntert, P., & Wuthrich, K. (2002), J. Mol. Biol. 319, 209-227.' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'L.A. Systems' . . 6655 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID analysis 6655 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_Bruker_DRX600 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode Bruker_DRX600 _NMR_spectrometer.Entry_ID 6655 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_Bruker_DMX750 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode Bruker_DMX750 _NMR_spectrometer.Entry_ID 6655 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_Bruker_Avance900 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode Bruker_Avance900 _NMR_spectrometer.Entry_ID 6655 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 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 6655 _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 1H15N_HSQC no . . . . . . . . . . 1 $15N-dsRBP-ZFa . . . 1 $conditions_1 . . . 1 $Bruker_DRX600 . . . . . . . . . . . . . . . . 6655 1 2 3D_1H15N_TOCSY_HSQC no . . . . . . . . . . 1 $15N-dsRBP-ZFa . . . 1 $conditions_1 . . . 1 $Bruker_DRX600 . . . . . . . . . . . . . . . . 6655 1 3 3D_1H15N_NOESY_HSQC no . . . . . . . . . . 1 $15N-dsRBP-ZFa . . . 1 $conditions_1 . . . 1 $Bruker_DRX600 . . . . . . . . . . . . . . . . 6655 1 4 1H15N_2J_HMQC no . . . . . . . . . . 1 $15N-dsRBP-ZFa . . . 1 $conditions_1 . . . 1 $Bruker_DRX600 . . . . . . . . . . . . . . . . 6655 1 5 3D_HNHA no . . . . . . . . . . 1 $15N-dsRBP-ZFa . . . 1 $conditions_1 . . . 1 $Bruker_DRX600 . . . . . . . . . . . . . . . . 6655 1 6 1H13C_HSQC no . . . . . . . . . . 3 $15N-13C-D2O-dsRBP-ZFa . . . 1 $conditions_1 . . . 3 $Bruker_Avance900 . . . . . . . . . . . . . . . . 6655 1 7 3D_HNCACB no . . . . . . . . . . 2 $15N-13C-H2O-dsRBP-ZFa . . . 1 $conditions_1 . . . 1 $Bruker_DRX600 . . . . . . . . . . . . . . . . 6655 1 8 3D_CBCACONH no . . . . . . . . . . 2 $15N-13C-H2O-dsRBP-ZFa . . . 1 $conditions_1 . . . 1 $Bruker_DRX600 . . . . . . . . . . . . . . . . 6655 1 9 3D_HNCO no . . . . . . . . . . 2 $15N-13C-H2O-dsRBP-ZFa . . . 1 $conditions_1 . . . 1 $Bruker_DRX600 . . . . . . . . . . . . . . . . 6655 1 10 3D_HCCH_COSY no . . . . . . . . . . 3 $15N-13C-D2O-dsRBP-ZFa . . . 1 $conditions_1 . . . 1 $Bruker_DRX600 . . . . . . . . . . . . . . . . 6655 1 11 3D_HCCH_TOCSY no . . . . . . . . . . 3 $15N-13C-D2O-dsRBP-ZFa . . . 1 $conditions_1 . . . 1 $Bruker_DRX600 . . . . . . . . . . . . . . . . 6655 1 12 3D_1H13C_NOESY_HSQC no . . . . . . . . . . 3 $15N-13C-D2O-dsRBP-ZFa . . . 1 $conditions_1 . . . 3 $Bruker_Avance900 . . . . . . . . . . . . . . . . 6655 1 13 3D_HACAHB_COSY no . . . . . . . . . . 3 $15N-13C-D2O-dsRBP-ZFa . . . 1 $conditions_1 . . . 3 $Bruker_Avance900 . . . . . . . . . . . . . . . . 6655 1 14 13C13CO_SED_CT_HSQC no . . . . . . . . . . 3 $15N-13C-D2O-dsRBP-ZFa . . . 1 $conditions_1 . . . 2 $Bruker_DMX750 . . . . . . . . . . . . . . . . 6655 1 15 13C15N_SED_CT_HSQC no . . . . . . . . . . 3 $15N-13C-D2O-dsRBP-ZFa . . . 1 $conditions_1 . . . 2 $Bruker_DMX750 . . . . . . . . . . . . . . . . 6655 1 16 3D_HBHACBCACONH no . . . . . . . . . . 2 $15N-13C-H2O-dsRBP-ZFa . . . 1 $conditions_1 . . . 1 $Bruker_DRX600 . . . . . . . . . . . . . . . . 6655 1 stop_ save_ save_1H15N_HSQC _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 1H15N_HSQC _NMR_spec_expt.Entry_ID 6655 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name 1H15N_HSQC _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $Bruker_DRX600 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 2 _NMR_spec_expt.Software_label $XWINNMR _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details 'Bodenhausen, G., Ruben, D. J., (1980), Chem. Phys. Lett. 69, 185-9.' save_ save_3D_1H15N_TOCSY_HSQC _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 3D_1H15N_TOCSY_HSQC _NMR_spec_expt.Entry_ID 6655 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name 3D_1H15N_TOCSY_HSQC _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $Bruker_DRX600 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 2 _NMR_spec_expt.Software_label $XWINNMR _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details 'Fesik, S. W. & Zuiderweg, E. R. P. (1988), J. Magn. Reson. 78, 588-593.' save_ save_3D_1H15N_NOESY_HSQC _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 3D_1H15N_NOESY_HSQC _NMR_spec_expt.Entry_ID 6655 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name 3D_1H15N_NOESY_HSQC _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $Bruker_DRX600 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 2 _NMR_spec_expt.Software_label $XWINNMR _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details 'Fesik, S. W. & Zuiderweg, E. R. P. (1988), J. Magn. Reson. 78, 588-593.' save_ save_3D_1H13C_NOESY_HSQC _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 3D_1H13C_NOESY_HSQC _NMR_spec_expt.Entry_ID 6655 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name 3D_1H13C_NOESY_HSQC _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 3 _NMR_spec_expt.NMR_spectrometer_label $Bruker_Avance900 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 2 _NMR_spec_expt.Software_label $XWINNMR _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details 'Fesik, S. W. & Zuiderweg, E. R. P. (1988), J. Magn. Reson. 78, 588-593.' save_ save_1H15N_2J_HMQC _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 1H15N_2J_HMQC _NMR_spec_expt.Entry_ID 6655 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name 1H15N_2J_HMQC _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $Bruker_DRX600 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 2 _NMR_spec_expt.Software_label $XWINNMR _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details 'Pelton, J. G., Torchia, D. A., Meadow, N. D., & Roseman, S. (1993), Protein Sci. 2, 543-558.' save_ save_3D_HNHA _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 3D_HNHA _NMR_spec_expt.Entry_ID 6655 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name 3D_HNHA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $Bruker_DRX600 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 2 _NMR_spec_expt.Software_label $XWINNMR _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details 'Vuister, G. W. & Bax, A. (1993), J. Am. Chem. Soc. 115, 7772-7777.' save_ save_3D_HNCACB _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 3D_HNCACB _NMR_spec_expt.Entry_ID 6655 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name 3D_HNCACB _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $Bruker_DRX600 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 2 _NMR_spec_expt.Software_label $XWINNMR _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details 'Wittekind, M. & Mueller, L. (1993), J. Magn. Reson. 101, 201-205.' save_ save_1H13C_HSQC _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 1H13C_HSQC _NMR_spec_expt.Entry_ID 6655 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name 1H13C_HSQC _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 3 _NMR_spec_expt.NMR_spectrometer_label $Bruker_Avance900 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 2 _NMR_spec_expt.Software_label $XWINNMR _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details 'Bodenhausen, G., Ruben, D. J., (1980), Chem. Phys. Lett. 69, 185-9.' save_ save_3D_CBCACONH _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 3D_CBCACONH _NMR_spec_expt.Entry_ID 6655 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name 3D_CBCACONH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $Bruker_DRX600 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 2 _NMR_spec_expt.Software_label $XWINNMR _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details 'Grzesiek, S. & Bax, A. (1992), J. Am. Chem. Soc. 114, 6291-6293.' save_ save_3D_HNCO _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 3D_HNCO _NMR_spec_expt.Entry_ID 6655 _NMR_spec_expt.ID 10 _NMR_spec_expt.Name 3D_HNCO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $Bruker_DRX600 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 2 _NMR_spec_expt.Software_label $XWINNMR _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details 'Kay, L. E., Ikura, M., Tschudin, R., and Bax, A., (1989), J. Magn. Reson. 89, 496-514.' save_ save_3D_HCCH_COSY _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 3D_HCCH_COSY _NMR_spec_expt.Entry_ID 6655 _NMR_spec_expt.ID 11 _NMR_spec_expt.Name 3D_HCCH_COSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $Bruker_DRX600 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 2 _NMR_spec_expt.Software_label $XWINNMR _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details 'Bax, A., Clore, G. M., & Gronenborn, A. M. (1990), J. Magn. Reson. 88, 425-431.' save_ save_3D_HCCH_TOCSY _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 3D_HCCH_TOCSY _NMR_spec_expt.Entry_ID 6655 _NMR_spec_expt.ID 12 _NMR_spec_expt.Name 3D_HCCH_TOCSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $Bruker_DRX600 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 2 _NMR_spec_expt.Software_label $XWINNMR _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details 'Gehring, K. & Ekiel, I. (1998), J. Magn. Reson. 135, 185-193.' save_ save_3D_HACAHB_COSY _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 3D_HACAHB_COSY _NMR_spec_expt.Entry_ID 6655 _NMR_spec_expt.ID 13 _NMR_spec_expt.Name 3D_HACAHB_COSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 3 _NMR_spec_expt.NMR_spectrometer_label $Bruker_Avance900 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 2 _NMR_spec_expt.Software_label $XWINNMR _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details 'Grzesiek, S., Kuboniwa, H., Hinck, A. P., & Bax, A. (1995), J. Am. Chem. Soc. 117, 5312-5315.' save_ save_13C13CO_SED_CT_HSQC _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 13C13CO_SED_CT_HSQC _NMR_spec_expt.Entry_ID 6655 _NMR_spec_expt.ID 14 _NMR_spec_expt.Name 13C13CO_SED_CT_HSQC _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 2 _NMR_spec_expt.NMR_spectrometer_label $Bruker_DMX750 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 2 _NMR_spec_expt.Software_label $XWINNMR _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details 'Grzesiek, S., Vuister, G. W., & Bax, A. (1993), J. Biomol. NMR 3, 487-493.' save_ save_13C15N_SED_CT_HSQC _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 13C15N_SED_CT_HSQC _NMR_spec_expt.Entry_ID 6655 _NMR_spec_expt.ID 15 _NMR_spec_expt.Name 13C15N_SED_CT_HSQC _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 2 _NMR_spec_expt.NMR_spectrometer_label $Bruker_DMX750 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 2 _NMR_spec_expt.Software_label $XWINNMR _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details 'Vuister, G. W., Wang, A. C., & Bax, A. (1993), J. Am. Chem. Soc. 115, 5334-5335.' save_ save_3D_HBHACBCACONH _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 3D_HBHACBCACONH _NMR_spec_expt.Entry_ID 6655 _NMR_spec_expt.ID 16 _NMR_spec_expt.Name 3D_HBHACBCACONH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $Bruker_DRX600 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 2 _NMR_spec_expt.Software_label $XWINNMR _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details 'Grzesiek, S. & Bax, A. (1993), J. Biomol. NMR 3, 185-204.' 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 6655 _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 . . . 1 $entry_citation . . 1 $entry_citation 6655 1 H 1 DSS 'methyl protons' . . . . ppm 0 external direct 1.0 . cylindrical parallel 1 $entry_citation . . 1 $entry_citation 6655 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 6655 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 6655 _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 0.005 _Assigned_chem_shift_list.Chem_shift_13C_err 0.12 _Assigned_chem_shift_list.Chem_shift_15N_err 0.12 _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 1H15N_HSQC 1 $15N-dsRBP-ZFa isotropic 6655 1 2 3D_1H15N_TOCSY_HSQC 1 $15N-dsRBP-ZFa isotropic 6655 1 3 3D_1H15N_NOESY_HSQC 1 $15N-dsRBP-ZFa isotropic 6655 1 4 3D_1H13C_NOESY_HSQC 3 $15N-13C-D2O-dsRBP-ZFa isotropic 6655 1 5 1H15N_2J_HMQC 1 $15N-dsRBP-ZFa isotropic 6655 1 6 3D_HNHA 1 $15N-dsRBP-ZFa isotropic 6655 1 7 3D_HNCACB 2 $15N-13C-H2O-dsRBP-ZFa isotropic 6655 1 8 1H13C_HSQC 3 $15N-13C-D2O-dsRBP-ZFa isotropic 6655 1 9 3D_CBCACONH 2 $15N-13C-H2O-dsRBP-ZFa isotropic 6655 1 10 3D_HNCO 2 $15N-13C-H2O-dsRBP-ZFa isotropic 6655 1 11 3D_HCCH_COSY 3 $15N-13C-D2O-dsRBP-ZFa isotropic 6655 1 12 3D_HCCH_TOCSY 3 $15N-13C-D2O-dsRBP-ZFa isotropic 6655 1 13 3D_HACAHB_COSY 3 $15N-13C-D2O-dsRBP-ZFa isotropic 6655 1 14 13C13CO_SED_CT_HSQC 3 $15N-13C-D2O-dsRBP-ZFa isotropic 6655 1 15 13C15N_SED_CT_HSQC 3 $15N-13C-D2O-dsRBP-ZFa isotropic 6655 1 16 3D_HBHACBCACONH 2 $15N-13C-H2O-dsRBP-ZFa isotropic 6655 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $NMRPIPE . . 6655 1 2 $XWINNMR . . 6655 1 3 $NMRVIEW . . 6655 1 4 $CYANA . . 6655 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 ALA HA H 1 4.149 0.005 . 1 . . . . 2 ALA HA . 6655 1 2 . 1 1 1 1 ALA HB1 H 1 1.541 0.005 . 1 . . . . 2 ALA HB1 . 6655 1 3 . 1 1 1 1 ALA HB2 H 1 1.541 0.005 . 1 . . . . 2 ALA HB1 . 6655 1 4 . 1 1 1 1 ALA HB3 H 1 1.541 0.005 . 1 . . . . 2 ALA HB1 . 6655 1 5 . 1 1 1 1 ALA C C 13 180.258 0.12 . 1 . . . . 2 ALA C . 6655 1 6 . 1 1 1 1 ALA CA C 13 51.672 0.12 . 1 . . . . 2 ALA CA . 6655 1 7 . 1 1 1 1 ALA CB C 13 19.272 0.12 . 1 . . . . 2 ALA CB . 6655 1 8 . 1 1 2 2 ASP H H 1 8.468 0.005 . 1 . . . . 3 ASP HN . 6655 1 9 . 1 1 2 2 ASP HA H 1 4.649 0.005 . 1 . . . . 3 ASP HA . 6655 1 10 . 1 1 2 2 ASP HB2 H 1 2.706 0.005 . 1 . . . . 3 ASP HB2 . 6655 1 11 . 1 1 2 2 ASP C C 13 176.184 0.12 . 1 . . . . 3 ASP C . 6655 1 12 . 1 1 2 2 ASP CA C 13 54.322 0.12 . 1 . . . . 3 ASP CA . 6655 1 13 . 1 1 2 2 ASP CB C 13 41.159 0.12 . 1 . . . . 3 ASP CB . 6655 1 14 . 1 1 2 2 ASP N N 15 121.166 0.12 . 1 . . . . 3 ASP N . 6655 1 15 . 1 1 3 3 GLU H H 1 8.679 0.005 . 1 . . . . 4 GLU HN . 6655 1 16 . 1 1 3 3 GLU HA H 1 4.200 0.005 . 1 . . . . 4 GLU HA . 6655 1 17 . 1 1 3 3 GLU HB2 H 1 1.879 0.005 . 2 . . . . 4 GLU HB2 . 6655 1 18 . 1 1 3 3 GLU HB3 H 1 1.818 0.005 . 2 . . . . 4 GLU HB3 . 6655 1 19 . 1 1 3 3 GLU HG2 H 1 2.062 0.005 . 2 . . . . 4 GLU HG2 . 6655 1 20 . 1 1 3 3 GLU HG3 H 1 2.012 0.005 . 2 . . . . 4 GLU HG3 . 6655 1 21 . 1 1 3 3 GLU C C 13 176.386 0.12 . 1 . . . . 4 GLU C . 6655 1 22 . 1 1 3 3 GLU CA C 13 57.171 0.12 . 1 . . . . 4 GLU CA . 6655 1 23 . 1 1 3 3 GLU CB C 13 29.875 0.12 . 1 . . . . 4 GLU CB . 6655 1 24 . 1 1 3 3 GLU CG C 13 35.972 0.12 . 1 . . . . 4 GLU CG . 6655 1 25 . 1 1 3 3 GLU N N 15 121.121 0.12 . 1 . . . . 4 GLU N . 6655 1 26 . 1 1 4 4 PHE H H 1 8.348 0.005 . 1 . . . . 5 PHE HN . 6655 1 27 . 1 1 4 4 PHE HA H 1 4.683 0.005 . 1 . . . . 5 PHE HA . 6655 1 28 . 1 1 4 4 PHE HB2 H 1 3.281 0.005 . 1 . . . . 5 PHE HB2 . 6655 1 29 . 1 1 4 4 PHE HB3 H 1 3.045 0.005 . 1 . . . . 5 PHE HB3 . 6655 1 30 . 1 1 4 4 PHE HD1 H 1 7.280 0.005 . 1 . . . . 5 PHE HD1 . 6655 1 31 . 1 1 4 4 PHE HE1 H 1 7.378 0.005 . 1 . . . . 5 PHE HE1 . 6655 1 32 . 1 1 4 4 PHE HZ H 1 7.333 0.005 . 1 . . . . 5 PHE HZ . 6655 1 33 . 1 1 4 4 PHE C C 13 176.437 0.12 . 1 . . . . 5 PHE C . 6655 1 34 . 1 1 4 4 PHE CA C 13 57.674 0.12 . 1 . . . . 5 PHE CA . 6655 1 35 . 1 1 4 4 PHE CB C 13 39.429 0.12 . 1 . . . . 5 PHE CB . 6655 1 36 . 1 1 4 4 PHE CD1 C 13 131.903 0.12 . 1 . . . . 5 PHE CD1 . 6655 1 37 . 1 1 4 4 PHE CE1 C 13 131.429 0.12 . 1 . . . . 5 PHE CE1 . 6655 1 38 . 1 1 4 4 PHE CZ C 13 129.830 0.12 . 1 . . . . 5 PHE CZ . 6655 1 39 . 1 1 4 4 PHE N N 15 120.104 0.12 . 1 . . . . 5 PHE N . 6655 1 40 . 1 1 5 5 GLY H H 1 8.313 0.005 . 1 . . . . 6 GLY HN . 6655 1 41 . 1 1 5 5 GLY HA2 H 1 4.032 0.005 . 2 . . . . 6 GLY HA2 . 6655 1 42 . 1 1 5 5 GLY HA3 H 1 3.939 0.005 . 2 . . . . 6 GLY HA3 . 6655 1 43 . 1 1 5 5 GLY C C 13 174.116 0.12 . 1 . . . . 6 GLY C . 6655 1 44 . 1 1 5 5 GLY CA C 13 45.403 0.12 . 1 . . . . 6 GLY CA . 6655 1 45 . 1 1 5 5 GLY N N 15 109.821 0.12 . 1 . . . . 6 GLY N . 6655 1 46 . 1 1 6 6 ASN H H 1 8.436 0.005 . 1 . . . . 7 ASN HN . 6655 1 47 . 1 1 6 6 ASN HA H 1 4.789 0.005 . 1 . . . . 7 ASN HA . 6655 1 48 . 1 1 6 6 ASN HB2 H 1 2.886 0.005 . 2 . . . . 7 ASN HB2 . 6655 1 49 . 1 1 6 6 ASN HB3 H 1 2.851 0.005 . 2 . . . . 7 ASN HB3 . 6655 1 50 . 1 1 6 6 ASN HD21 H 1 7.743 0.005 . 2 . . . . 7 ASN HD21 . 6655 1 51 . 1 1 6 6 ASN HD22 H 1 6.967 0.005 . 2 . . . . 7 ASN HD22 . 6655 1 52 . 1 1 6 6 ASN C C 13 176.019 0.12 . 1 . . . . 7 ASN C . 6655 1 53 . 1 1 6 6 ASN CA C 13 53.207 0.12 . 1 . . . . 7 ASN CA . 6655 1 54 . 1 1 6 6 ASN CB C 13 39.016 0.12 . 1 . . . . 7 ASN CB . 6655 1 55 . 1 1 6 6 ASN N N 15 118.907 0.12 . 1 . . . . 7 ASN N . 6655 1 56 . 1 1 6 6 ASN ND2 N 15 113.233 0.12 . 1 . . . . 7 ASN ND2 . 6655 1 57 . 1 1 7 7 GLY H H 1 8.553 0.005 . 1 . . . . 8 GLY HN . 6655 1 58 . 1 1 7 7 GLY HA2 H 1 4.010 0.005 . 1 . . . . 8 GLY HA2 . 6655 1 59 . 1 1 7 7 GLY C C 13 174.091 0.12 . 1 . . . . 8 GLY C . 6655 1 60 . 1 1 7 7 GLY CA C 13 45.413 0.12 . 1 . . . . 8 GLY CA . 6655 1 61 . 1 1 7 7 GLY N N 15 109.657 0.12 . 1 . . . . 8 GLY N . 6655 1 62 . 1 1 8 8 ASP H H 1 8.245 0.005 . 1 . . . . 9 ASP HN . 6655 1 63 . 1 1 8 8 ASP HA H 1 4.660 0.005 . 1 . . . . 9 ASP HA . 6655 1 64 . 1 1 8 8 ASP HB2 H 1 2.688 0.005 . 1 . . . . 9 ASP HB2 . 6655 1 65 . 1 1 8 8 ASP C C 13 176.113 0.12 . 1 . . . . 9 ASP C . 6655 1 66 . 1 1 8 8 ASP CA C 13 54.287 0.12 . 1 . . . . 9 ASP CA . 6655 1 67 . 1 1 8 8 ASP CB C 13 41.560 0.12 . 1 . . . . 9 ASP CB . 6655 1 68 . 1 1 8 8 ASP N N 15 120.510 0.12 . 1 . . . . 9 ASP N . 6655 1 69 . 1 1 9 9 ALA H H 1 8.252 0.005 . 1 . . . . 10 ALA HN . 6655 1 70 . 1 1 9 9 ALA HA H 1 4.335 0.005 . 1 . . . . 10 ALA HA . 6655 1 71 . 1 1 9 9 ALA HB1 H 1 1.409 0.005 . 1 . . . . 10 ALA HB1 . 6655 1 72 . 1 1 9 9 ALA HB2 H 1 1.409 0.005 . 1 . . . . 10 ALA HB1 . 6655 1 73 . 1 1 9 9 ALA HB3 H 1 1.409 0.005 . 1 . . . . 10 ALA HB1 . 6655 1 74 . 1 1 9 9 ALA C C 13 177.518 0.12 . 1 . . . . 10 ALA C . 6655 1 75 . 1 1 9 9 ALA CA C 13 52.436 0.12 . 1 . . . . 10 ALA CA . 6655 1 76 . 1 1 9 9 ALA CB C 13 19.023 0.12 . 1 . . . . 10 ALA CB . 6655 1 77 . 1 1 9 9 ALA N N 15 123.815 0.12 . 1 . . . . 10 ALA N . 6655 1 78 . 1 1 10 10 LEU H H 1 8.150 0.005 . 1 . . . . 11 LEU HN . 6655 1 79 . 1 1 10 10 LEU HA H 1 4.364 0.005 . 1 . . . . 11 LEU HA . 6655 1 80 . 1 1 10 10 LEU HB2 H 1 1.663 0.005 . 2 . . . . 11 LEU HB2 . 6655 1 81 . 1 1 10 10 LEU HB3 H 1 1.566 0.005 . 2 . . . . 11 LEU HB3 . 6655 1 82 . 1 1 10 10 LEU HG H 1 1.661 0.005 . 1 . . . . 11 LEU HG . 6655 1 83 . 1 1 10 10 LEU HD11 H 1 0.956 0.005 . 2 . . . . 11 LEU HD11 . 6655 1 84 . 1 1 10 10 LEU HD12 H 1 0.956 0.005 . 2 . . . . 11 LEU HD11 . 6655 1 85 . 1 1 10 10 LEU HD13 H 1 0.956 0.005 . 2 . . . . 11 LEU HD11 . 6655 1 86 . 1 1 10 10 LEU HD21 H 1 0.891 0.005 . 2 . . . . 11 LEU HD21 . 6655 1 87 . 1 1 10 10 LEU HD22 H 1 0.891 0.005 . 2 . . . . 11 LEU HD21 . 6655 1 88 . 1 1 10 10 LEU HD23 H 1 0.891 0.005 . 2 . . . . 11 LEU HD21 . 6655 1 89 . 1 1 10 10 LEU C C 13 176.828 0.12 . 1 . . . . 11 LEU C . 6655 1 90 . 1 1 10 10 LEU CA C 13 54.917 0.12 . 1 . . . . 11 LEU CA . 6655 1 91 . 1 1 10 10 LEU CB C 13 42.532 0.12 . 1 . . . . 11 LEU CB . 6655 1 92 . 1 1 10 10 LEU CG C 13 27.005 0.12 . 1 . . . . 11 LEU CG . 6655 1 93 . 1 1 10 10 LEU CD1 C 13 25.262 0.12 . 2 . . . . 11 LEU CD1 . 6655 1 94 . 1 1 10 10 LEU CD2 C 13 23.535 0.12 . 2 . . . . 11 LEU CD2 . 6655 1 95 . 1 1 10 10 LEU N N 15 120.863 0.12 . 1 . . . . 11 LEU N . 6655 1 96 . 1 1 11 11 ASP H H 1 8.376 0.005 . 1 . . . . 12 ASP HN . 6655 1 97 . 1 1 11 11 ASP HA H 1 4.645 0.005 . 1 . . . . 12 ASP HA . 6655 1 98 . 1 1 11 11 ASP HB2 H 1 2.694 0.005 . 2 . . . . 12 ASP HB2 . 6655 1 99 . 1 1 11 11 ASP HB3 H 1 2.643 0.005 . 2 . . . . 12 ASP HB3 . 6655 1 100 . 1 1 11 11 ASP C C 13 175.470 0.12 . 1 . . . . 12 ASP C . 6655 1 101 . 1 1 11 11 ASP CA C 13 54.003 0.12 . 1 . . . . 12 ASP CA . 6655 1 102 . 1 1 11 11 ASP CB C 13 41.141 0.12 . 1 . . . . 12 ASP CB . 6655 1 103 . 1 1 11 11 ASP N N 15 121.065 0.12 . 1 . . . . 12 ASP N . 6655 1 104 . 1 1 12 12 LEU H H 1 7.959 0.005 . 1 . . . . 13 LEU HN . 6655 1 105 . 1 1 12 12 LEU HA H 1 4.687 0.005 . 1 . . . . 13 LEU HA . 6655 1 106 . 1 1 12 12 LEU HB2 H 1 1.625 0.005 . 2 . . . . 13 LEU HB2 . 6655 1 107 . 1 1 12 12 LEU HB3 H 1 1.501 0.005 . 2 . . . . 13 LEU HB3 . 6655 1 108 . 1 1 12 12 LEU HG H 1 1.661 0.005 . 1 . . . . 13 LEU HG . 6655 1 109 . 1 1 12 12 LEU HD11 H 1 0.945 0.005 . 2 . . . . 13 LEU HD11 . 6655 1 110 . 1 1 12 12 LEU HD12 H 1 0.945 0.005 . 2 . . . . 13 LEU HD11 . 6655 1 111 . 1 1 12 12 LEU HD13 H 1 0.945 0.005 . 2 . . . . 13 LEU HD11 . 6655 1 112 . 1 1 12 12 LEU HD21 H 1 0.824 0.005 . 2 . . . . 13 LEU HD21 . 6655 1 113 . 1 1 12 12 LEU HD22 H 1 0.824 0.005 . 2 . . . . 13 LEU HD21 . 6655 1 114 . 1 1 12 12 LEU HD23 H 1 0.824 0.005 . 2 . . . . 13 LEU HD21 . 6655 1 115 . 1 1 12 12 LEU CA C 13 52.554 0.12 . 1 . . . . 13 LEU CA . 6655 1 116 . 1 1 12 12 LEU CB C 13 41.529 0.12 . 1 . . . . 13 LEU CB . 6655 1 117 . 1 1 12 12 LEU CG C 13 27.358 0.12 . 1 . . . . 13 LEU CG . 6655 1 118 . 1 1 12 12 LEU CD1 C 13 25.363 0.12 . 2 . . . . 13 LEU CD1 . 6655 1 119 . 1 1 12 12 LEU CD2 C 13 23.827 0.12 . 2 . . . . 13 LEU CD2 . 6655 1 120 . 1 1 12 12 LEU N N 15 122.835 0.12 . 1 . . . . 13 LEU N . 6655 1 121 . 1 1 13 13 PRO HA H 1 4.487 0.005 . 1 . . . . 14 PRO HA . 6655 1 122 . 1 1 13 13 PRO HB2 H 1 2.097 0.005 . 2 . . . . 14 PRO HB2 . 6655 1 123 . 1 1 13 13 PRO HB3 H 1 1.678 0.005 . 2 . . . . 14 PRO HB3 . 6655 1 124 . 1 1 13 13 PRO HG2 H 1 2.110 0.005 . 2 . . . . 14 PRO HG2 . 6655 1 125 . 1 1 13 13 PRO HG3 H 1 1.997 0.005 . 2 . . . . 14 PRO HG3 . 6655 1 126 . 1 1 13 13 PRO HD2 H 1 3.871 0.005 . 2 . . . . 14 PRO HD2 . 6655 1 127 . 1 1 13 13 PRO HD3 H 1 3.788 0.005 . 2 . . . . 14 PRO HD3 . 6655 1 128 . 1 1 13 13 PRO C C 13 176.481 0.12 . 1 . . . . 14 PRO C . 6655 1 129 . 1 1 13 13 PRO CA C 13 62.695 0.12 . 1 . . . . 14 PRO CA . 6655 1 130 . 1 1 13 13 PRO CB C 13 31.875 0.12 . 1 . . . . 14 PRO CB . 6655 1 131 . 1 1 13 13 PRO CG C 13 27.826 0.12 . 1 . . . . 14 PRO CG . 6655 1 132 . 1 1 13 13 PRO CD C 13 50.447 0.12 . 1 . . . . 14 PRO CD . 6655 1 133 . 1 1 14 14 VAL H H 1 8.178 0.005 . 1 . . . . 15 VAL HN . 6655 1 134 . 1 1 14 14 VAL HA H 1 4.259 0.005 . 1 . . . . 15 VAL HA . 6655 1 135 . 1 1 14 14 VAL HB H 1 2.010 0.005 . 1 . . . . 15 VAL HB . 6655 1 136 . 1 1 14 14 VAL HG11 H 1 0.945 0.005 . 2 . . . . 15 VAL HG11 . 6655 1 137 . 1 1 14 14 VAL HG12 H 1 0.945 0.005 . 2 . . . . 15 VAL HG11 . 6655 1 138 . 1 1 14 14 VAL HG13 H 1 0.945 0.005 . 2 . . . . 15 VAL HG11 . 6655 1 139 . 1 1 14 14 VAL HG21 H 1 0.956 0.005 . 2 . . . . 15 VAL HG21 . 6655 1 140 . 1 1 14 14 VAL HG22 H 1 0.956 0.005 . 2 . . . . 15 VAL HG21 . 6655 1 141 . 1 1 14 14 VAL HG23 H 1 0.956 0.005 . 2 . . . . 15 VAL HG21 . 6655 1 142 . 1 1 14 14 VAL C C 13 176.511 0.12 . 1 . . . . 15 VAL C . 6655 1 143 . 1 1 14 14 VAL CA C 13 62.076 0.12 . 1 . . . . 15 VAL CA . 6655 1 144 . 1 1 14 14 VAL CB C 13 33.568 0.12 . 1 . . . . 15 VAL CB . 6655 1 145 . 1 1 14 14 VAL CG1 C 13 21.197 0.12 . 2 . . . . 15 VAL CG1 . 6655 1 146 . 1 1 14 14 VAL CG2 C 13 20.630 0.12 . 2 . . . . 15 VAL CG2 . 6655 1 147 . 1 1 14 14 VAL N N 15 120.656 0.12 . 1 . . . . 15 VAL N . 6655 1 148 . 1 1 15 15 GLY H H 1 8.393 0.005 . 1 . . . . 16 GLY HN . 6655 1 149 . 1 1 15 15 GLY HA2 H 1 4.377 0.005 . 2 . . . . 16 GLY HA2 . 6655 1 150 . 1 1 15 15 GLY HA3 H 1 3.885 0.005 . 2 . . . . 16 GLY HA3 . 6655 1 151 . 1 1 15 15 GLY C C 13 173.413 0.12 . 1 . . . . 16 GLY C . 6655 1 152 . 1 1 15 15 GLY CA C 13 44.055 0.12 . 1 . . . . 16 GLY CA . 6655 1 153 . 1 1 15 15 GLY N N 15 113.700 0.12 . 1 . . . . 16 GLY N . 6655 1 154 . 1 1 16 16 LYS H H 1 8.388 0.005 . 1 . . . . 17 LYS HN . 6655 1 155 . 1 1 16 16 LYS HA H 1 3.815 0.005 . 1 . . . . 17 LYS HA . 6655 1 156 . 1 1 16 16 LYS HB2 H 1 1.825 0.005 . 2 . . . . 17 LYS HB2 . 6655 1 157 . 1 1 16 16 LYS HB3 H 1 1.877 0.005 . 2 . . . . 17 LYS HB3 . 6655 1 158 . 1 1 16 16 LYS HG2 H 1 1.479 0.005 . 2 . . . . 17 LYS HG2 . 6655 1 159 . 1 1 16 16 LYS HG3 H 1 1.425 0.005 . 2 . . . . 17 LYS HG3 . 6655 1 160 . 1 1 16 16 LYS HD2 H 1 1.773 0.005 . 2 . . . . 17 LYS HD2 . 6655 1 161 . 1 1 16 16 LYS HD3 H 1 1.726 0.005 . 2 . . . . 17 LYS HD3 . 6655 1 162 . 1 1 16 16 LYS HE2 H 1 2.978 0.005 . 1 . . . . 17 LYS HE2 . 6655 1 163 . 1 1 16 16 LYS CA C 13 59.742 0.12 . 1 . . . . 17 LYS CA . 6655 1 164 . 1 1 16 16 LYS CB C 13 32.630 0.12 . 1 . . . . 17 LYS CB . 6655 1 165 . 1 1 16 16 LYS CG C 13 24.486 0.12 . 1 . . . . 17 LYS CG . 6655 1 166 . 1 1 16 16 LYS CD C 13 29.297 0.12 . 1 . . . . 17 LYS CD . 6655 1 167 . 1 1 16 16 LYS CE C 13 41.986 0.12 . 1 . . . . 17 LYS CE . 6655 1 168 . 1 1 16 16 LYS N N 15 119.100 0.12 . 1 . . . . 17 LYS N . 6655 1 169 . 1 1 17 17 ASP H H 1 8.453 0.005 . 1 . . . . 18 ASP HN . 6655 1 170 . 1 1 17 17 ASP HA H 1 4.466 0.005 . 1 . . . . 18 ASP HA . 6655 1 171 . 1 1 17 17 ASP HB2 H 1 2.718 0.005 . 1 . . . . 18 ASP HB2 . 6655 1 172 . 1 1 17 17 ASP HB3 H 1 2.627 0.005 . 1 . . . . 18 ASP HB3 . 6655 1 173 . 1 1 17 17 ASP C C 13 178.712 0.12 . 1 . . . . 18 ASP C . 6655 1 174 . 1 1 17 17 ASP CA C 13 57.475 0.12 . 1 . . . . 18 ASP CA . 6655 1 175 . 1 1 17 17 ASP CB C 13 39.862 0.12 . 1 . . . . 18 ASP CB . 6655 1 176 . 1 1 17 17 ASP N N 15 119.173 0.12 . 1 . . . . 18 ASP N . 6655 1 177 . 1 1 18 18 ALA H H 1 8.286 0.005 . 1 . . . . 19 ALA HN . 6655 1 178 . 1 1 18 18 ALA HA H 1 4.178 0.005 . 1 . . . . 19 ALA HA . 6655 1 179 . 1 1 18 18 ALA HB1 H 1 1.438 0.005 . 1 . . . . 19 ALA HB1 . 6655 1 180 . 1 1 18 18 ALA HB2 H 1 1.438 0.005 . 1 . . . . 19 ALA HB1 . 6655 1 181 . 1 1 18 18 ALA HB3 H 1 1.438 0.005 . 1 . . . . 19 ALA HB1 . 6655 1 182 . 1 1 18 18 ALA C C 13 180.929 0.12 . 1 . . . . 19 ALA C . 6655 1 183 . 1 1 18 18 ALA CA C 13 54.603 0.12 . 1 . . . . 19 ALA CA . 6655 1 184 . 1 1 18 18 ALA CB C 13 18.759 0.12 . 1 . . . . 19 ALA CB . 6655 1 185 . 1 1 18 18 ALA N N 15 123.667 0.12 . 1 . . . . 19 ALA N . 6655 1 186 . 1 1 19 19 VAL H H 1 7.973 0.005 . 1 . . . . 20 VAL HN . 6655 1 187 . 1 1 19 19 VAL HA H 1 3.406 0.005 . 1 . . . . 20 VAL HA . 6655 1 188 . 1 1 19 19 VAL HB H 1 2.079 0.005 . 1 . . . . 20 VAL HB . 6655 1 189 . 1 1 19 19 VAL HG11 H 1 0.994 0.005 . 1 . . . . 20 VAL HG11 . 6655 1 190 . 1 1 19 19 VAL HG12 H 1 0.994 0.005 . 1 . . . . 20 VAL HG11 . 6655 1 191 . 1 1 19 19 VAL HG13 H 1 0.994 0.005 . 1 . . . . 20 VAL HG11 . 6655 1 192 . 1 1 19 19 VAL HG21 H 1 0.810 0.005 . 1 . . . . 20 VAL HG21 . 6655 1 193 . 1 1 19 19 VAL HG22 H 1 0.810 0.005 . 1 . . . . 20 VAL HG21 . 6655 1 194 . 1 1 19 19 VAL HG23 H 1 0.810 0.005 . 1 . . . . 20 VAL HG21 . 6655 1 195 . 1 1 19 19 VAL C C 13 176.601 0.12 . 1 . . . . 20 VAL C . 6655 1 196 . 1 1 19 19 VAL CA C 13 66.634 0.12 . 1 . . . . 20 VAL CA . 6655 1 197 . 1 1 19 19 VAL CB C 13 31.572 0.12 . 1 . . . . 20 VAL CB . 6655 1 198 . 1 1 19 19 VAL CG1 C 13 23.934 0.12 . 1 . . . . 20 VAL CG1 . 6655 1 199 . 1 1 19 19 VAL CG2 C 13 22.846 0.12 . 1 . . . . 20 VAL CG2 . 6655 1 200 . 1 1 19 19 VAL N N 15 119.673 0.12 . 1 . . . . 20 VAL N . 6655 1 201 . 1 1 20 20 ASN H H 1 8.514 0.005 . 1 . . . . 21 ASN HN . 6655 1 202 . 1 1 20 20 ASN HA H 1 4.478 0.005 . 1 . . . . 21 ASN HA . 6655 1 203 . 1 1 20 20 ASN HB2 H 1 2.945 0.005 . 2 . . . . 21 ASN HB2 . 6655 1 204 . 1 1 20 20 ASN HB3 H 1 2.756 0.005 . 2 . . . . 21 ASN HB3 . 6655 1 205 . 1 1 20 20 ASN HD21 H 1 7.729 0.005 . 2 . . . . 21 ASN HD21 . 6655 1 206 . 1 1 20 20 ASN HD22 H 1 7.170 0.005 . 2 . . . . 21 ASN HD22 . 6655 1 207 . 1 1 20 20 ASN C C 13 178.756 0.12 . 1 . . . . 21 ASN C . 6655 1 208 . 1 1 20 20 ASN CA C 13 55.895 0.12 . 1 . . . . 21 ASN CA . 6655 1 209 . 1 1 20 20 ASN CB C 13 37.043 0.12 . 1 . . . . 21 ASN CB . 6655 1 210 . 1 1 20 20 ASN N N 15 118.303 0.12 . 1 . . . . 21 ASN N . 6655 1 211 . 1 1 20 20 ASN ND2 N 15 111.950 0.12 . 1 . . . . 21 ASN ND2 . 6655 1 212 . 1 1 21 21 SER H H 1 8.228 0.005 . 1 . . . . 22 SER HN . 6655 1 213 . 1 1 21 21 SER HA H 1 4.233 0.005 . 1 . . . . 22 SER HA . 6655 1 214 . 1 1 21 21 SER HB2 H 1 3.996 0.005 . 2 . . . . 22 SER HB2 . 6655 1 215 . 1 1 21 21 SER HB3 H 1 3.951 0.005 . 2 . . . . 22 SER HB3 . 6655 1 216 . 1 1 21 21 SER C C 13 175.219 0.12 . 1 . . . . 22 SER C . 6655 1 217 . 1 1 21 21 SER CA C 13 61.903 0.12 . 1 . . . . 22 SER CA . 6655 1 218 . 1 1 21 21 SER CB C 13 62.645 0.12 . 1 . . . . 22 SER CB . 6655 1 219 . 1 1 21 21 SER N N 15 116.762 0.12 . 1 . . . . 22 SER N . 6655 1 220 . 1 1 22 22 LEU H H 1 7.664 0.005 . 1 . . . . 23 LEU HN . 6655 1 221 . 1 1 22 22 LEU HA H 1 4.149 0.005 . 1 . . . . 23 LEU HA . 6655 1 222 . 1 1 22 22 LEU HB2 H 1 1.902 0.005 . 2 . . . . 23 LEU HB2 . 6655 1 223 . 1 1 22 22 LEU HB3 H 1 1.764 0.005 . 2 . . . . 23 LEU HB3 . 6655 1 224 . 1 1 22 22 LEU HG H 1 1.818 0.005 . 1 . . . . 23 LEU HG . 6655 1 225 . 1 1 22 22 LEU HD11 H 1 0.962 0.005 . 2 . . . . 23 LEU HD11 . 6655 1 226 . 1 1 22 22 LEU HD12 H 1 0.962 0.005 . 2 . . . . 23 LEU HD11 . 6655 1 227 . 1 1 22 22 LEU HD13 H 1 0.962 0.005 . 2 . . . . 23 LEU HD11 . 6655 1 228 . 1 1 22 22 LEU HD21 H 1 0.803 0.005 . 2 . . . . 23 LEU HD21 . 6655 1 229 . 1 1 22 22 LEU HD22 H 1 0.803 0.005 . 2 . . . . 23 LEU HD21 . 6655 1 230 . 1 1 22 22 LEU HD23 H 1 0.803 0.005 . 2 . . . . 23 LEU HD21 . 6655 1 231 . 1 1 22 22 LEU C C 13 179.872 0.12 . 1 . . . . 23 LEU C . 6655 1 232 . 1 1 22 22 LEU CA C 13 58.163 0.12 . 1 . . . . 23 LEU CA . 6655 1 233 . 1 1 22 22 LEU CB C 13 42.180 0.12 . 1 . . . . 23 LEU CB . 6655 1 234 . 1 1 22 22 LEU CG C 13 26.303 0.12 . 1 . . . . 23 LEU CG . 6655 1 235 . 1 1 22 22 LEU CD1 C 13 24.777 0.12 . 2 . . . . 23 LEU CD1 . 6655 1 236 . 1 1 22 22 LEU CD2 C 13 25.718 0.12 . 2 . . . . 23 LEU CD2 . 6655 1 237 . 1 1 22 22 LEU N N 15 123.176 0.12 . 1 . . . . 23 LEU N . 6655 1 238 . 1 1 23 23 ILE H H 1 7.802 0.005 . 1 . . . . 24 ILE HN . 6655 1 239 . 1 1 23 23 ILE HA H 1 3.643 0.005 . 1 . . . . 24 ILE HA . 6655 1 240 . 1 1 23 23 ILE HB H 1 1.707 0.005 . 1 . . . . 24 ILE HB . 6655 1 241 . 1 1 23 23 ILE HG12 H 1 0.142 0.005 . 2 . . . . 24 ILE HG12 . 6655 1 242 . 1 1 23 23 ILE HG13 H 1 1.216 0.005 . 2 . . . . 24 ILE HG13 . 6655 1 243 . 1 1 23 23 ILE HG21 H 1 0.762 0.005 . 1 . . . . 24 ILE HG21 . 6655 1 244 . 1 1 23 23 ILE HG22 H 1 0.762 0.005 . 1 . . . . 24 ILE HG21 . 6655 1 245 . 1 1 23 23 ILE HG23 H 1 0.762 0.005 . 1 . . . . 24 ILE HG21 . 6655 1 246 . 1 1 23 23 ILE HD11 H 1 0.569 0.005 . 1 . . . . 24 ILE HD11 . 6655 1 247 . 1 1 23 23 ILE HD12 H 1 0.569 0.005 . 1 . . . . 24 ILE HD11 . 6655 1 248 . 1 1 23 23 ILE HD13 H 1 0.569 0.005 . 1 . . . . 24 ILE HD11 . 6655 1 249 . 1 1 23 23 ILE C C 13 177.380 0.12 . 1 . . . . 24 ILE C . 6655 1 250 . 1 1 23 23 ILE CA C 13 65.351 0.12 . 1 . . . . 24 ILE CA . 6655 1 251 . 1 1 23 23 ILE CB C 13 38.603 0.12 . 1 . . . . 24 ILE CB . 6655 1 252 . 1 1 23 23 ILE CG1 C 13 28.882 0.12 . 1 . . . . 24 ILE CG1 . 6655 1 253 . 1 1 23 23 ILE CG2 C 13 16.883 0.12 . 1 . . . . 24 ILE CG2 . 6655 1 254 . 1 1 23 23 ILE CD1 C 13 15.175 0.12 . 1 . . . . 24 ILE CD1 . 6655 1 255 . 1 1 23 23 ILE N N 15 119.563 0.12 . 1 . . . . 24 ILE N . 6655 1 256 . 1 1 24 24 ARG H H 1 7.772 0.005 . 1 . . . . 25 ARG HN . 6655 1 257 . 1 1 24 24 ARG HA H 1 4.086 0.005 . 1 . . . . 25 ARG HA . 6655 1 258 . 1 1 24 24 ARG HB2 H 1 2.009 0.005 . 1 . . . . 25 ARG HB2 . 6655 1 259 . 1 1 24 24 ARG HG2 H 1 1.813 0.005 . 1 . . . . 25 ARG HG2 . 6655 1 260 . 1 1 24 24 ARG HG3 H 1 1.722 0.005 . 1 . . . . 25 ARG HG3 . 6655 1 261 . 1 1 24 24 ARG HD2 H 1 3.281 0.005 . 1 . . . . 25 ARG HD2 . 6655 1 262 . 1 1 24 24 ARG C C 13 179.283 0.12 . 1 . . . . 25 ARG C . 6655 1 263 . 1 1 24 24 ARG CA C 13 58.997 0.12 . 1 . . . . 25 ARG CA . 6655 1 264 . 1 1 24 24 ARG CB C 13 30.293 0.12 . 1 . . . . 25 ARG CB . 6655 1 265 . 1 1 24 24 ARG CG C 13 27.610 0.12 . 1 . . . . 25 ARG CG . 6655 1 266 . 1 1 24 24 ARG CD C 13 43.319 0.12 . 1 . . . . 25 ARG CD . 6655 1 267 . 1 1 24 24 ARG N N 15 117.769 0.12 . 1 . . . . 25 ARG N . 6655 1 268 . 1 1 25 25 GLU H H 1 8.060 0.005 . 1 . . . . 26 GLU HN . 6655 1 269 . 1 1 25 25 GLU HA H 1 4.321 0.005 . 1 . . . . 26 GLU HA . 6655 1 270 . 1 1 25 25 GLU HB2 H 1 2.233 0.005 . 2 . . . . 26 GLU HB2 . 6655 1 271 . 1 1 25 25 GLU HB3 H 1 2.105 0.005 . 2 . . . . 26 GLU HB3 . 6655 1 272 . 1 1 25 25 GLU HG2 H 1 2.519 0.005 . 2 . . . . 26 GLU HG2 . 6655 1 273 . 1 1 25 25 GLU HG3 H 1 2.440 0.005 . 2 . . . . 26 GLU HG3 . 6655 1 274 . 1 1 25 25 GLU C C 13 176.540 0.12 . 1 . . . . 26 GLU C . 6655 1 275 . 1 1 25 25 GLU CA C 13 57.359 0.12 . 1 . . . . 26 GLU CA . 6655 1 276 . 1 1 25 25 GLU CB C 13 30.399 0.12 . 1 . . . . 26 GLU CB . 6655 1 277 . 1 1 25 25 GLU CG C 13 36.501 0.12 . 1 . . . . 26 GLU CG . 6655 1 278 . 1 1 25 25 GLU N N 15 115.853 0.12 . 1 . . . . 26 GLU N . 6655 1 279 . 1 1 26 26 ASN H H 1 7.660 0.005 . 1 . . . . 27 ASN HN . 6655 1 280 . 1 1 26 26 ASN HA H 1 5.340 0.005 . 1 . . . . 27 ASN HA . 6655 1 281 . 1 1 26 26 ASN HB2 H 1 2.712 0.005 . 1 . . . . 27 ASN HB2 . 6655 1 282 . 1 1 26 26 ASN HB3 H 1 2.217 0.005 . 1 . . . . 27 ASN HB3 . 6655 1 283 . 1 1 26 26 ASN HD21 H 1 7.409 0.005 . 2 . . . . 27 ASN HD21 . 6655 1 284 . 1 1 26 26 ASN HD22 H 1 8.229 0.005 . 2 . . . . 27 ASN HD22 . 6655 1 285 . 1 1 26 26 ASN C C 13 175.953 0.12 . 1 . . . . 27 ASN C . 6655 1 286 . 1 1 26 26 ASN CA C 13 52.287 0.12 . 1 . . . . 27 ASN CA . 6655 1 287 . 1 1 26 26 ASN CB C 13 40.784 0.12 . 1 . . . . 27 ASN CB . 6655 1 288 . 1 1 26 26 ASN N N 15 119.357 0.12 . 1 . . . . 27 ASN N . 6655 1 289 . 1 1 26 26 ASN ND2 N 15 116.624 0.12 . 1 . . . . 27 ASN ND2 . 6655 1 290 . 1 1 27 27 SER H H 1 8.117 0.005 . 1 . . . . 28 SER HN . 6655 1 291 . 1 1 27 27 SER HA H 1 4.897 0.005 . 1 . . . . 28 SER HA . 6655 1 292 . 1 1 27 27 SER HB2 H 1 4.191 0.005 . 2 . . . . 28 SER HB2 . 6655 1 293 . 1 1 27 27 SER HB3 H 1 4.166 0.005 . 2 . . . . 28 SER HB3 . 6655 1 294 . 1 1 27 27 SER C C 13 174.936 0.12 . 1 . . . . 28 SER C . 6655 1 295 . 1 1 27 27 SER CA C 13 61.227 0.12 . 1 . . . . 28 SER CA . 6655 1 296 . 1 1 27 27 SER CB C 13 63.543 0.12 . 1 . . . . 28 SER CB . 6655 1 297 . 1 1 27 27 SER N N 15 117.233 0.12 . 1 . . . . 28 SER N . 6655 1 298 . 1 1 28 28 HIS H H 1 9.113 0.005 . 1 . . . . 29 HIS HN . 6655 1 299 . 1 1 28 28 HIS HA H 1 4.633 0.005 . 1 . . . . 29 HIS HA . 6655 1 300 . 1 1 28 28 HIS HB2 H 1 3.208 0.005 . 2 . . . . 29 HIS HB2 . 6655 1 301 . 1 1 28 28 HIS HB3 H 1 3.112 0.005 . 2 . . . . 29 HIS HB3 . 6655 1 302 . 1 1 28 28 HIS HD2 H 1 7.111 0.005 . 1 . . . . 29 HIS HD2 . 6655 1 303 . 1 1 28 28 HIS HE1 H 1 8.134 0.005 . 1 . . . . 29 HIS HE1 . 6655 1 304 . 1 1 28 28 HIS C C 13 176.218 0.12 . 1 . . . . 29 HIS C . 6655 1 305 . 1 1 28 28 HIS CA C 13 57.594 0.12 . 1 . . . . 29 HIS CA . 6655 1 306 . 1 1 28 28 HIS CB C 13 29.683 0.12 . 1 . . . . 29 HIS CB . 6655 1 307 . 1 1 28 28 HIS CD2 C 13 118.689 0.12 . 1 . . . . 29 HIS CD2 . 6655 1 308 . 1 1 28 28 HIS CE1 C 13 138.984 0.12 . 1 . . . . 29 HIS CE1 . 6655 1 309 . 1 1 28 28 HIS N N 15 119.920 0.12 . 1 . . . . 29 HIS N . 6655 1 310 . 1 1 28 28 HIS ND1 N 15 240.606 0.12 . 1 . . . . 29 HIS ND1 . 6655 1 311 . 1 1 28 28 HIS NE2 N 15 168.428 0.12 . 1 . . . . 29 HIS NE2 . 6655 1 312 . 1 1 29 29 ILE H H 1 6.993 0.005 . 1 . . . . 30 ILE HN . 6655 1 313 . 1 1 29 29 ILE HA H 1 4.447 0.005 . 1 . . . . 30 ILE HA . 6655 1 314 . 1 1 29 29 ILE HB H 1 1.453 0.005 . 1 . . . . 30 ILE HB . 6655 1 315 . 1 1 29 29 ILE HG12 H 1 0.039 0.005 . 2 . . . . 30 ILE HG12 . 6655 1 316 . 1 1 29 29 ILE HG13 H 1 -0.350 0.005 . 2 . . . . 30 ILE HG13 . 6655 1 317 . 1 1 29 29 ILE HG21 H 1 0.528 0.005 . 1 . . . . 30 ILE HG21 . 6655 1 318 . 1 1 29 29 ILE HG22 H 1 0.528 0.005 . 1 . . . . 30 ILE HG21 . 6655 1 319 . 1 1 29 29 ILE HG23 H 1 0.528 0.005 . 1 . . . . 30 ILE HG21 . 6655 1 320 . 1 1 29 29 ILE HD11 H 1 0.230 0.005 . 1 . . . . 30 ILE HD11 . 6655 1 321 . 1 1 29 29 ILE HD12 H 1 0.230 0.005 . 1 . . . . 30 ILE HD11 . 6655 1 322 . 1 1 29 29 ILE HD13 H 1 0.230 0.005 . 1 . . . . 30 ILE HD11 . 6655 1 323 . 1 1 29 29 ILE C C 13 173.608 0.12 . 1 . . . . 30 ILE C . 6655 1 324 . 1 1 29 29 ILE CA C 13 61.977 0.12 . 1 . . . . 30 ILE CA . 6655 1 325 . 1 1 29 29 ILE CB C 13 40.773 0.12 . 1 . . . . 30 ILE CB . 6655 1 326 . 1 1 29 29 ILE CG1 C 13 24.255 0.12 . 1 . . . . 30 ILE CG1 . 6655 1 327 . 1 1 29 29 ILE CG2 C 13 18.486 0.12 . 1 . . . . 30 ILE CG2 . 6655 1 328 . 1 1 29 29 ILE CD1 C 13 13.352 0.12 . 1 . . . . 30 ILE CD1 . 6655 1 329 . 1 1 29 29 ILE N N 15 112.303 0.12 . 1 . . . . 30 ILE N . 6655 1 330 . 1 1 30 30 PHE H H 1 8.123 0.005 . 1 . . . . 31 PHE HN . 6655 1 331 . 1 1 30 30 PHE HA H 1 5.808 0.005 . 1 . . . . 31 PHE HA . 6655 1 332 . 1 1 30 30 PHE HB2 H 1 3.370 0.005 . 1 . . . . 31 PHE HB2 . 6655 1 333 . 1 1 30 30 PHE HB3 H 1 3.066 0.005 . 1 . . . . 31 PHE HB3 . 6655 1 334 . 1 1 30 30 PHE HD1 H 1 7.634 0.005 . 1 . . . . 31 PHE HD1 . 6655 1 335 . 1 1 30 30 PHE HE1 H 1 7.412 0.005 . 1 . . . . 31 PHE HE1 . 6655 1 336 . 1 1 30 30 PHE HZ H 1 7.338 0.005 . 1 . . . . 31 PHE HZ . 6655 1 337 . 1 1 30 30 PHE C C 13 173.936 0.12 . 1 . . . . 31 PHE C . 6655 1 338 . 1 1 30 30 PHE CA C 13 53.284 0.12 . 1 . . . . 31 PHE CA . 6655 1 339 . 1 1 30 30 PHE CB C 13 41.833 0.12 . 1 . . . . 31 PHE CB . 6655 1 340 . 1 1 30 30 PHE CD1 C 13 132.390 0.12 . 1 . . . . 31 PHE CD1 . 6655 1 341 . 1 1 30 30 PHE CE1 C 13 130.833 0.12 . 1 . . . . 31 PHE CE1 . 6655 1 342 . 1 1 30 30 PHE CZ C 13 129.454 0.12 . 1 . . . . 31 PHE CZ . 6655 1 343 . 1 1 30 30 PHE N N 15 121.746 0.12 . 1 . . . . 31 PHE N . 6655 1 344 . 1 1 31 31 SER H H 1 8.469 0.005 . 1 . . . . 32 SER HN . 6655 1 345 . 1 1 31 31 SER HA H 1 4.918 0.005 . 1 . . . . 32 SER HA . 6655 1 346 . 1 1 31 31 SER HB2 H 1 4.390 0.005 . 1 . . . . 32 SER HB2 . 6655 1 347 . 1 1 31 31 SER HB3 H 1 4.104 0.005 . 1 . . . . 32 SER HB3 . 6655 1 348 . 1 1 31 31 SER C C 13 174.503 0.12 . 1 . . . . 32 SER C . 6655 1 349 . 1 1 31 31 SER CA C 13 56.265 0.12 . 1 . . . . 32 SER CA . 6655 1 350 . 1 1 31 31 SER CB C 13 67.288 0.12 . 1 . . . . 32 SER CB . 6655 1 351 . 1 1 31 31 SER N N 15 114.699 0.12 . 1 . . . . 32 SER N . 6655 1 352 . 1 1 32 32 ASP H H 1 8.918 0.005 . 1 . . . . 33 ASP HN . 6655 1 353 . 1 1 32 32 ASP HA H 1 4.419 0.005 . 1 . . . . 33 ASP HA . 6655 1 354 . 1 1 32 32 ASP HB2 H 1 2.729 0.005 . 1 . . . . 33 ASP HB2 . 6655 1 355 . 1 1 32 32 ASP C C 13 176.101 0.12 . 1 . . . . 33 ASP C . 6655 1 356 . 1 1 32 32 ASP CA C 13 57.217 0.12 . 1 . . . . 33 ASP CA . 6655 1 357 . 1 1 32 32 ASP CB C 13 41.545 0.12 . 1 . . . . 33 ASP CB . 6655 1 358 . 1 1 32 32 ASP N N 15 118.986 0.12 . 1 . . . . 33 ASP N . 6655 1 359 . 1 1 33 33 THR H H 1 7.762 0.005 . 1 . . . . 34 THR HN . 6655 1 360 . 1 1 33 33 THR HA H 1 5.029 0.005 . 1 . . . . 34 THR HA . 6655 1 361 . 1 1 33 33 THR HB H 1 4.518 0.005 . 1 . . . . 34 THR HB . 6655 1 362 . 1 1 33 33 THR HG21 H 1 1.199 0.005 . 1 . . . . 34 THR HG21 . 6655 1 363 . 1 1 33 33 THR HG22 H 1 1.199 0.005 . 1 . . . . 34 THR HG21 . 6655 1 364 . 1 1 33 33 THR HG23 H 1 1.199 0.005 . 1 . . . . 34 THR HG21 . 6655 1 365 . 1 1 33 33 THR C C 13 176.089 0.12 . 1 . . . . 34 THR C . 6655 1 366 . 1 1 33 33 THR CA C 13 60.877 0.12 . 1 . . . . 34 THR CA . 6655 1 367 . 1 1 33 33 THR CB C 13 70.272 0.12 . 1 . . . . 34 THR CB . 6655 1 368 . 1 1 33 33 THR CG2 C 13 21.665 0.12 . 1 . . . . 34 THR CG2 . 6655 1 369 . 1 1 33 33 THR N N 15 102.251 0.12 . 1 . . . . 34 THR N . 6655 1 370 . 1 1 34 34 GLN H H 1 7.774 0.005 . 1 . . . . 35 GLN HN . 6655 1 371 . 1 1 34 34 GLN HA H 1 5.074 0.005 . 1 . . . . 35 GLN HA . 6655 1 372 . 1 1 34 34 GLN HB2 H 1 2.004 0.005 . 2 . . . . 35 GLN HB2 . 6655 1 373 . 1 1 34 34 GLN HB3 H 1 1.895 0.005 . 2 . . . . 35 GLN HB3 . 6655 1 374 . 1 1 34 34 GLN HG2 H 1 2.089 0.005 . 2 . . . . 35 GLN HG2 . 6655 1 375 . 1 1 34 34 GLN HG3 H 1 1.941 0.005 . 2 . . . . 35 GLN HG3 . 6655 1 376 . 1 1 34 34 GLN HE21 H 1 7.213 0.005 . 2 . . . . 35 GLN HE21 . 6655 1 377 . 1 1 34 34 GLN HE22 H 1 6.814 0.005 . 2 . . . . 35 GLN HE22 . 6655 1 378 . 1 1 34 34 GLN C C 13 173.536 0.12 . 1 . . . . 35 GLN C . 6655 1 379 . 1 1 34 34 GLN CA C 13 55.539 0.12 . 1 . . . . 35 GLN CA . 6655 1 380 . 1 1 34 34 GLN CB C 13 32.306 0.12 . 1 . . . . 35 GLN CB . 6655 1 381 . 1 1 34 34 GLN CG C 13 33.745 0.12 . 1 . . . . 35 GLN CG . 6655 1 382 . 1 1 34 34 GLN N N 15 123.559 0.12 . 1 . . . . 35 GLN N . 6655 1 383 . 1 1 34 34 GLN NE2 N 15 110.674 0.12 . 1 . . . . 35 GLN NE2 . 6655 1 384 . 1 1 35 35 CYS H H 1 8.472 0.005 . 1 . . . . 36 CYS HN . 6655 1 385 . 1 1 35 35 CYS HA H 1 5.338 0.005 . 1 . . . . 36 CYS HA . 6655 1 386 . 1 1 35 35 CYS HB2 H 1 2.625 0.005 . 2 . . . . 36 CYS HB2 . 6655 1 387 . 1 1 35 35 CYS HB3 H 1 2.565 0.005 . 2 . . . . 36 CYS HB3 . 6655 1 388 . 1 1 35 35 CYS C C 13 177.686 0.12 . 1 . . . . 36 CYS C . 6655 1 389 . 1 1 35 35 CYS CA C 13 58.417 0.12 . 1 . . . . 36 CYS CA . 6655 1 390 . 1 1 35 35 CYS CB C 13 31.209 0.12 . 1 . . . . 36 CYS CB . 6655 1 391 . 1 1 35 35 CYS N N 15 127.160 0.12 . 1 . . . . 36 CYS N . 6655 1 392 . 1 1 36 36 LYS H H 1 9.353 0.005 . 1 . . . . 37 LYS HN . 6655 1 393 . 1 1 36 36 LYS HA H 1 4.273 0.005 . 1 . . . . 37 LYS HA . 6655 1 394 . 1 1 36 36 LYS HB2 H 1 2.025 0.005 . 2 . . . . 37 LYS HB2 . 6655 1 395 . 1 1 36 36 LYS HB3 H 1 1.993 0.005 . 2 . . . . 37 LYS HB3 . 6655 1 396 . 1 1 36 36 LYS HG2 H 1 1.392 0.005 . 2 . . . . 37 LYS HG2 . 6655 1 397 . 1 1 36 36 LYS HG3 H 1 1.594 0.005 . 2 . . . . 37 LYS HG3 . 6655 1 398 . 1 1 36 36 LYS HD2 H 1 1.753 0.005 . 2 . . . . 37 LYS HD2 . 6655 1 399 . 1 1 36 36 LYS HD3 H 1 1.766 0.005 . 2 . . . . 37 LYS HD3 . 6655 1 400 . 1 1 36 36 LYS HE2 H 1 2.981 0.005 . 1 . . . . 37 LYS HE2 . 6655 1 401 . 1 1 36 36 LYS C C 13 178.533 0.12 . 1 . . . . 37 LYS C . 6655 1 402 . 1 1 36 36 LYS CA C 13 59.318 0.12 . 1 . . . . 37 LYS CA . 6655 1 403 . 1 1 36 36 LYS CB C 13 32.796 0.12 . 1 . . . . 37 LYS CB . 6655 1 404 . 1 1 36 36 LYS CG C 13 26.237 0.12 . 1 . . . . 37 LYS CG . 6655 1 405 . 1 1 36 36 LYS CD C 13 29.347 0.12 . 1 . . . . 37 LYS CD . 6655 1 406 . 1 1 36 36 LYS CE C 13 41.986 0.12 . 1 . . . . 37 LYS CE . 6655 1 407 . 1 1 36 36 LYS N N 15 127.307 0.12 . 1 . . . . 37 LYS N . 6655 1 408 . 1 1 37 37 VAL H H 1 7.708 0.005 . 1 . . . . 38 VAL HN . 6655 1 409 . 1 1 37 37 VAL HA H 1 3.589 0.005 . 1 . . . . 38 VAL HA . 6655 1 410 . 1 1 37 37 VAL HB H 1 2.060 0.005 . 1 . . . . 38 VAL HB . 6655 1 411 . 1 1 37 37 VAL HG11 H 1 0.777 0.005 . 1 . . . . 38 VAL HG11 . 6655 1 412 . 1 1 37 37 VAL HG12 H 1 0.777 0.005 . 1 . . . . 38 VAL HG11 . 6655 1 413 . 1 1 37 37 VAL HG13 H 1 0.777 0.005 . 1 . . . . 38 VAL HG11 . 6655 1 414 . 1 1 37 37 VAL HG21 H 1 0.507 0.005 . 1 . . . . 38 VAL HG21 . 6655 1 415 . 1 1 37 37 VAL HG22 H 1 0.507 0.005 . 1 . . . . 38 VAL HG21 . 6655 1 416 . 1 1 37 37 VAL HG23 H 1 0.507 0.005 . 1 . . . . 38 VAL HG21 . 6655 1 417 . 1 1 37 37 VAL C C 13 178.065 0.12 . 1 . . . . 38 VAL C . 6655 1 418 . 1 1 37 37 VAL CA C 13 65.842 0.12 . 1 . . . . 38 VAL CA . 6655 1 419 . 1 1 37 37 VAL CB C 13 32.316 0.12 . 1 . . . . 38 VAL CB . 6655 1 420 . 1 1 37 37 VAL CG1 C 13 21.788 0.12 . 1 . . . . 38 VAL CG1 . 6655 1 421 . 1 1 37 37 VAL CG2 C 13 23.062 0.12 . 1 . . . . 38 VAL CG2 . 6655 1 422 . 1 1 37 37 VAL N N 15 119.468 0.12 . 1 . . . . 38 VAL N . 6655 1 423 . 1 1 38 38 CYS H H 1 8.702 0.005 . 1 . . . . 39 CYS HN . 6655 1 424 . 1 1 38 38 CYS HA H 1 4.146 0.005 . 1 . . . . 39 CYS HA . 6655 1 425 . 1 1 38 38 CYS HB2 H 1 3.311 0.005 . 1 . . . . 39 CYS HB2 . 6655 1 426 . 1 1 38 38 CYS HB3 H 1 2.661 0.005 . 1 . . . . 39 CYS HB3 . 6655 1 427 . 1 1 38 38 CYS C C 13 175.513 0.12 . 1 . . . . 39 CYS C . 6655 1 428 . 1 1 38 38 CYS CA C 13 60.702 0.12 . 1 . . . . 39 CYS CA . 6655 1 429 . 1 1 38 38 CYS CB C 13 30.873 0.12 . 1 . . . . 39 CYS CB . 6655 1 430 . 1 1 38 38 CYS N N 15 121.043 0.12 . 1 . . . . 39 CYS N . 6655 1 431 . 1 1 39 39 SER H H 1 7.806 0.005 . 1 . . . . 40 SER HN . 6655 1 432 . 1 1 39 39 SER HA H 1 3.973 0.005 . 1 . . . . 40 SER HA . 6655 1 433 . 1 1 39 39 SER HB2 H 1 4.128 0.005 . 2 . . . . 40 SER HB2 . 6655 1 434 . 1 1 39 39 SER HB3 H 1 4.047 0.005 . 2 . . . . 40 SER HB3 . 6655 1 435 . 1 1 39 39 SER C C 13 173.120 0.12 . 1 . . . . 40 SER C . 6655 1 436 . 1 1 39 39 SER CA C 13 58.655 0.12 . 1 . . . . 40 SER CA . 6655 1 437 . 1 1 39 39 SER CB C 13 61.162 0.12 . 1 . . . . 40 SER CB . 6655 1 438 . 1 1 39 39 SER N N 15 114.566 0.12 . 1 . . . . 40 SER N . 6655 1 439 . 1 1 40 40 ALA H H 1 7.614 0.005 . 1 . . . . 41 ALA HN . 6655 1 440 . 1 1 40 40 ALA HA H 1 4.673 0.005 . 1 . . . . 41 ALA HA . 6655 1 441 . 1 1 40 40 ALA HB1 H 1 0.785 0.005 . 1 . . . . 41 ALA HB1 . 6655 1 442 . 1 1 40 40 ALA HB2 H 1 0.785 0.005 . 1 . . . . 41 ALA HB1 . 6655 1 443 . 1 1 40 40 ALA HB3 H 1 0.785 0.005 . 1 . . . . 41 ALA HB1 . 6655 1 444 . 1 1 40 40 ALA C C 13 175.735 0.12 . 1 . . . . 41 ALA C . 6655 1 445 . 1 1 40 40 ALA CA C 13 49.861 0.12 . 1 . . . . 41 ALA CA . 6655 1 446 . 1 1 40 40 ALA CB C 13 21.449 0.12 . 1 . . . . 41 ALA CB . 6655 1 447 . 1 1 40 40 ALA N N 15 120.761 0.12 . 1 . . . . 41 ALA N . 6655 1 448 . 1 1 41 41 VAL H H 1 8.449 0.005 . 1 . . . . 42 VAL HN . 6655 1 449 . 1 1 41 41 VAL HA H 1 4.160 0.005 . 1 . . . . 42 VAL HA . 6655 1 450 . 1 1 41 41 VAL HB H 1 1.935 0.005 . 1 . . . . 42 VAL HB . 6655 1 451 . 1 1 41 41 VAL HG11 H 1 0.919 0.005 . 1 . . . . 42 VAL HG11 . 6655 1 452 . 1 1 41 41 VAL HG12 H 1 0.919 0.005 . 1 . . . . 42 VAL HG11 . 6655 1 453 . 1 1 41 41 VAL HG13 H 1 0.919 0.005 . 1 . . . . 42 VAL HG11 . 6655 1 454 . 1 1 41 41 VAL HG21 H 1 0.926 0.005 . 1 . . . . 42 VAL HG21 . 6655 1 455 . 1 1 41 41 VAL HG22 H 1 0.926 0.005 . 1 . . . . 42 VAL HG21 . 6655 1 456 . 1 1 41 41 VAL HG23 H 1 0.926 0.005 . 1 . . . . 42 VAL HG21 . 6655 1 457 . 1 1 41 41 VAL C C 13 175.138 0.12 . 1 . . . . 42 VAL C . 6655 1 458 . 1 1 41 41 VAL CA C 13 62.376 0.12 . 1 . . . . 42 VAL CA . 6655 1 459 . 1 1 41 41 VAL CB C 13 32.383 0.12 . 1 . . . . 42 VAL CB . 6655 1 460 . 1 1 41 41 VAL CG1 C 13 21.049 0.12 . 1 . . . . 42 VAL CG1 . 6655 1 461 . 1 1 41 41 VAL CG2 C 13 21.049 0.12 . 1 . . . . 42 VAL CG2 . 6655 1 462 . 1 1 41 41 VAL N N 15 124.527 0.12 . 1 . . . . 42 VAL N . 6655 1 463 . 1 1 42 42 LEU H H 1 8.205 0.005 . 1 . . . . 43 LEU HN . 6655 1 464 . 1 1 42 42 LEU HA H 1 4.713 0.005 . 1 . . . . 43 LEU HA . 6655 1 465 . 1 1 42 42 LEU HB2 H 1 1.928 0.005 . 1 . . . . 43 LEU HB2 . 6655 1 466 . 1 1 42 42 LEU HB3 H 1 0.838 0.005 . 1 . . . . 43 LEU HB3 . 6655 1 467 . 1 1 42 42 LEU HG H 1 1.176 0.005 . 1 . . . . 43 LEU HG . 6655 1 468 . 1 1 42 42 LEU HD11 H 1 0.562 0.005 . 1 . . . . 43 LEU HD11 . 6655 1 469 . 1 1 42 42 LEU HD12 H 1 0.562 0.005 . 1 . . . . 43 LEU HD11 . 6655 1 470 . 1 1 42 42 LEU HD13 H 1 0.562 0.005 . 1 . . . . 43 LEU HD11 . 6655 1 471 . 1 1 42 42 LEU HD21 H 1 0.292 0.005 . 1 . . . . 43 LEU HD21 . 6655 1 472 . 1 1 42 42 LEU HD22 H 1 0.292 0.005 . 1 . . . . 43 LEU HD21 . 6655 1 473 . 1 1 42 42 LEU HD23 H 1 0.292 0.005 . 1 . . . . 43 LEU HD21 . 6655 1 474 . 1 1 42 42 LEU C C 13 176.808 0.12 . 1 . . . . 43 LEU C . 6655 1 475 . 1 1 42 42 LEU CA C 13 52.730 0.12 . 1 . . . . 43 LEU CA . 6655 1 476 . 1 1 42 42 LEU CB C 13 41.483 0.12 . 1 . . . . 43 LEU CB . 6655 1 477 . 1 1 42 42 LEU CG C 13 26.215 0.12 . 1 . . . . 43 LEU CG . 6655 1 478 . 1 1 42 42 LEU CD1 C 13 26.126 0.12 . 1 . . . . 43 LEU CD1 . 6655 1 479 . 1 1 42 42 LEU CD2 C 13 23.120 0.12 . 1 . . . . 43 LEU CD2 . 6655 1 480 . 1 1 42 42 LEU N N 15 128.707 0.12 . 1 . . . . 43 LEU N . 6655 1 481 . 1 1 43 43 ILE H H 1 8.279 0.005 . 1 . . . . 44 ILE HN . 6655 1 482 . 1 1 43 43 ILE HA H 1 4.362 0.005 . 1 . . . . 44 ILE HA . 6655 1 483 . 1 1 43 43 ILE HB H 1 2.176 0.005 . 1 . . . . 44 ILE HB . 6655 1 484 . 1 1 43 43 ILE HG12 H 1 1.352 0.005 . 2 . . . . 44 ILE HG12 . 6655 1 485 . 1 1 43 43 ILE HG13 H 1 1.307 0.005 . 2 . . . . 44 ILE HG13 . 6655 1 486 . 1 1 43 43 ILE HG21 H 1 0.942 0.005 . 1 . . . . 44 ILE HG21 . 6655 1 487 . 1 1 43 43 ILE HG22 H 1 0.942 0.005 . 1 . . . . 44 ILE HG21 . 6655 1 488 . 1 1 43 43 ILE HG23 H 1 0.942 0.005 . 1 . . . . 44 ILE HG21 . 6655 1 489 . 1 1 43 43 ILE HD11 H 1 0.894 0.005 . 1 . . . . 44 ILE HD11 . 6655 1 490 . 1 1 43 43 ILE HD12 H 1 0.894 0.005 . 1 . . . . 44 ILE HD11 . 6655 1 491 . 1 1 43 43 ILE HD13 H 1 0.894 0.005 . 1 . . . . 44 ILE HD11 . 6655 1 492 . 1 1 43 43 ILE C C 13 175.472 0.12 . 1 . . . . 44 ILE C . 6655 1 493 . 1 1 43 43 ILE CA C 13 61.764 0.12 . 1 . . . . 44 ILE CA . 6655 1 494 . 1 1 43 43 ILE CB C 13 38.991 0.12 . 1 . . . . 44 ILE CB . 6655 1 495 . 1 1 43 43 ILE CG1 C 13 26.621 0.12 . 1 . . . . 44 ILE CG1 . 6655 1 496 . 1 1 43 43 ILE CG2 C 13 18.115 0.12 . 1 . . . . 44 ILE CG2 . 6655 1 497 . 1 1 43 43 ILE CD1 C 13 13.703 0.12 . 1 . . . . 44 ILE CD1 . 6655 1 498 . 1 1 43 43 ILE N N 15 116.744 0.12 . 1 . . . . 44 ILE N . 6655 1 499 . 1 1 44 44 SER H H 1 7.493 0.005 . 1 . . . . 45 SER HN . 6655 1 500 . 1 1 44 44 SER HA H 1 4.820 0.005 . 1 . . . . 45 SER HA . 6655 1 501 . 1 1 44 44 SER HB2 H 1 4.298 0.005 . 2 . . . . 45 SER HB2 . 6655 1 502 . 1 1 44 44 SER HB3 H 1 3.952 0.005 . 2 . . . . 45 SER HB3 . 6655 1 503 . 1 1 44 44 SER C C 13 174.288 0.12 . 1 . . . . 45 SER C . 6655 1 504 . 1 1 44 44 SER CA C 13 55.979 0.12 . 1 . . . . 45 SER CA . 6655 1 505 . 1 1 44 44 SER CB C 13 66.678 0.12 . 1 . . . . 45 SER CB . 6655 1 506 . 1 1 44 44 SER N N 15 113.180 0.12 . 1 . . . . 45 SER N . 6655 1 507 . 1 1 45 45 GLU H H 1 9.180 0.005 . 1 . . . . 46 GLU HN . 6655 1 508 . 1 1 45 45 GLU HA H 1 4.157 0.005 . 1 . . . . 46 GLU HA . 6655 1 509 . 1 1 45 45 GLU HB2 H 1 2.220 0.005 . 2 . . . . 46 GLU HB2 . 6655 1 510 . 1 1 45 45 GLU HB3 H 1 2.102 0.005 . 2 . . . . 46 GLU HB3 . 6655 1 511 . 1 1 45 45 GLU HG2 H 1 2.345 0.005 . 2 . . . . 46 GLU HG2 . 6655 1 512 . 1 1 45 45 GLU HG3 H 1 2.292 0.005 . 2 . . . . 46 GLU HG3 . 6655 1 513 . 1 1 45 45 GLU C C 13 178.438 0.12 . 1 . . . . 46 GLU C . 6655 1 514 . 1 1 45 45 GLU CA C 13 59.585 0.12 . 1 . . . . 46 GLU CA . 6655 1 515 . 1 1 45 45 GLU CB C 13 29.349 0.12 . 1 . . . . 46 GLU CB . 6655 1 516 . 1 1 45 45 GLU CG C 13 35.847 0.12 . 1 . . . . 46 GLU CG . 6655 1 517 . 1 1 45 45 GLU N N 15 123.585 0.12 . 1 . . . . 46 GLU N . 6655 1 518 . 1 1 46 46 SER H H 1 8.606 0.005 . 1 . . . . 47 SER HN . 6655 1 519 . 1 1 46 46 SER HA H 1 4.203 0.005 . 1 . . . . 47 SER HA . 6655 1 520 . 1 1 46 46 SER HB2 H 1 4.216 0.005 . 2 . . . . 47 SER HB2 . 6655 1 521 . 1 1 46 46 SER HB3 H 1 3.930 0.005 . 2 . . . . 47 SER HB3 . 6655 1 522 . 1 1 46 46 SER C C 13 177.808 0.12 . 1 . . . . 47 SER C . 6655 1 523 . 1 1 46 46 SER CA C 13 61.656 0.12 . 1 . . . . 47 SER CA . 6655 1 524 . 1 1 46 46 SER CB C 13 62.096 0.12 . 1 . . . . 47 SER CB . 6655 1 525 . 1 1 46 46 SER N N 15 113.618 0.12 . 1 . . . . 47 SER N . 6655 1 526 . 1 1 47 47 GLN H H 1 7.913 0.005 . 1 . . . . 48 GLN HN . 6655 1 527 . 1 1 47 47 GLN HA H 1 4.157 0.005 . 1 . . . . 48 GLN HA . 6655 1 528 . 1 1 47 47 GLN HB2 H 1 2.174 0.005 . 2 . . . . 48 GLN HB2 . 6655 1 529 . 1 1 47 47 GLN HB3 H 1 2.093 0.005 . 2 . . . . 48 GLN HB3 . 6655 1 530 . 1 1 47 47 GLN HG2 H 1 2.599 0.005 . 2 . . . . 48 GLN HG2 . 6655 1 531 . 1 1 47 47 GLN HG3 H 1 2.397 0.005 . 2 . . . . 48 GLN HG3 . 6655 1 532 . 1 1 47 47 GLN HE21 H 1 7.507 0.005 . 2 . . . . 48 GLN HE21 . 6655 1 533 . 1 1 47 47 GLN HE22 H 1 6.812 0.005 . 2 . . . . 48 GLN HE22 . 6655 1 534 . 1 1 47 47 GLN C C 13 178.741 0.12 . 1 . . . . 48 GLN C . 6655 1 535 . 1 1 47 47 GLN CA C 13 58.892 0.12 . 1 . . . . 48 GLN CA . 6655 1 536 . 1 1 47 47 GLN CB C 13 28.770 0.12 . 1 . . . . 48 GLN CB . 6655 1 537 . 1 1 47 47 GLN CG C 13 34.239 0.12 . 1 . . . . 48 GLN CG . 6655 1 538 . 1 1 47 47 GLN N N 15 122.593 0.12 . 1 . . . . 48 GLN N . 6655 1 539 . 1 1 47 47 GLN NE2 N 15 111.200 0.12 . 1 . . . . 48 GLN NE2 . 6655 1 540 . 1 1 48 48 LYS H H 1 8.370 0.005 . 1 . . . . 49 LYS HN . 6655 1 541 . 1 1 48 48 LYS HA H 1 4.063 0.005 . 1 . . . . 49 LYS HA . 6655 1 542 . 1 1 48 48 LYS HB2 H 1 2.288 0.005 . 2 . . . . 49 LYS HB2 . 6655 1 543 . 1 1 48 48 LYS HB3 H 1 2.218 0.005 . 2 . . . . 49 LYS HB3 . 6655 1 544 . 1 1 48 48 LYS HG2 H 1 1.844 0.005 . 2 . . . . 49 LYS HG2 . 6655 1 545 . 1 1 48 48 LYS HG3 H 1 1.186 0.005 . 2 . . . . 49 LYS HG3 . 6655 1 546 . 1 1 48 48 LYS HD2 H 1 2.040 0.005 . 2 . . . . 49 LYS HD2 . 6655 1 547 . 1 1 48 48 LYS HD3 H 1 1.768 0.005 . 2 . . . . 49 LYS HD3 . 6655 1 548 . 1 1 48 48 LYS HE2 H 1 2.871 0.005 . 2 . . . . 49 LYS HE2 . 6655 1 549 . 1 1 48 48 LYS HE3 H 1 2.762 0.005 . 2 . . . . 49 LYS HE3 . 6655 1 550 . 1 1 48 48 LYS C C 13 177.495 0.12 . 1 . . . . 49 LYS C . 6655 1 551 . 1 1 48 48 LYS CA C 13 59.900 0.12 . 1 . . . . 49 LYS CA . 6655 1 552 . 1 1 48 48 LYS CB C 13 32.297 0.12 . 1 . . . . 49 LYS CB . 6655 1 553 . 1 1 48 48 LYS CG C 13 24.511 0.12 . 1 . . . . 49 LYS CG . 6655 1 554 . 1 1 48 48 LYS CD C 13 30.323 0.12 . 1 . . . . 49 LYS CD . 6655 1 555 . 1 1 48 48 LYS CE C 13 41.656 0.12 . 1 . . . . 49 LYS CE . 6655 1 556 . 1 1 48 48 LYS N N 15 122.496 0.12 . 1 . . . . 49 LYS N . 6655 1 557 . 1 1 49 49 LEU H H 1 8.528 0.005 . 1 . . . . 50 LEU HN . 6655 1 558 . 1 1 49 49 LEU HA H 1 3.989 0.005 . 1 . . . . 50 LEU HA . 6655 1 559 . 1 1 49 49 LEU HB2 H 1 1.904 0.005 . 2 . . . . 50 LEU HB2 . 6655 1 560 . 1 1 49 49 LEU HB3 H 1 1.464 0.005 . 2 . . . . 50 LEU HB3 . 6655 1 561 . 1 1 49 49 LEU HG H 1 1.911 0.005 . 1 . . . . 50 LEU HG . 6655 1 562 . 1 1 49 49 LEU HD11 H 1 0.952 0.005 . 2 . . . . 50 LEU HD11 . 6655 1 563 . 1 1 49 49 LEU HD12 H 1 0.952 0.005 . 2 . . . . 50 LEU HD11 . 6655 1 564 . 1 1 49 49 LEU HD13 H 1 0.952 0.005 . 2 . . . . 50 LEU HD11 . 6655 1 565 . 1 1 49 49 LEU HD21 H 1 0.862 0.005 . 2 . . . . 50 LEU HD21 . 6655 1 566 . 1 1 49 49 LEU HD22 H 1 0.862 0.005 . 2 . . . . 50 LEU HD21 . 6655 1 567 . 1 1 49 49 LEU HD23 H 1 0.862 0.005 . 2 . . . . 50 LEU HD21 . 6655 1 568 . 1 1 49 49 LEU CA C 13 58.413 0.12 . 1 . . . . 50 LEU CA . 6655 1 569 . 1 1 49 49 LEU CB C 13 41.126 0.12 . 1 . . . . 50 LEU CB . 6655 1 570 . 1 1 49 49 LEU CG C 13 27.153 0.12 . 1 . . . . 50 LEU CG . 6655 1 571 . 1 1 49 49 LEU CD1 C 13 25.330 0.12 . 2 . . . . 50 LEU CD1 . 6655 1 572 . 1 1 49 49 LEU CD2 C 13 23.178 0.12 . 2 . . . . 50 LEU CD2 . 6655 1 573 . 1 1 49 49 LEU N N 15 118.546 0.12 . 1 . . . . 50 LEU N . 6655 1 574 . 1 1 50 50 ALA H H 1 7.901 0.005 . 1 . . . . 51 ALA HN . 6655 1 575 . 1 1 50 50 ALA HA H 1 4.068 0.005 . 1 . . . . 51 ALA HA . 6655 1 576 . 1 1 50 50 ALA HB1 H 1 1.494 0.005 . 1 . . . . 51 ALA HB1 . 6655 1 577 . 1 1 50 50 ALA HB2 H 1 1.494 0.005 . 1 . . . . 51 ALA HB1 . 6655 1 578 . 1 1 50 50 ALA HB3 H 1 1.494 0.005 . 1 . . . . 51 ALA HB1 . 6655 1 579 . 1 1 50 50 ALA C C 13 180.474 0.12 . 1 . . . . 51 ALA C . 6655 1 580 . 1 1 50 50 ALA CA C 13 54.662 0.12 . 1 . . . . 51 ALA CA . 6655 1 581 . 1 1 50 50 ALA CB C 13 18.057 0.12 . 1 . . . . 51 ALA CB . 6655 1 582 . 1 1 50 50 ALA N N 15 118.959 0.12 . 1 . . . . 51 ALA N . 6655 1 583 . 1 1 51 51 HIS H H 1 8.402 0.005 . 1 . . . . 52 HIS HN . 6655 1 584 . 1 1 51 51 HIS HA H 1 3.929 0.005 . 1 . . . . 52 HIS HA . 6655 1 585 . 1 1 51 51 HIS HB2 H 1 3.077 0.005 . 1 . . . . 52 HIS HB2 . 6655 1 586 . 1 1 51 51 HIS HB3 H 1 2.709 0.005 . 1 . . . . 52 HIS HB3 . 6655 1 587 . 1 1 51 51 HIS HD2 H 1 4.873 0.005 . 1 . . . . 52 HIS HD2 . 6655 1 588 . 1 1 51 51 HIS HE1 H 1 7.991 0.005 . 1 . . . . 52 HIS HE1 . 6655 1 589 . 1 1 51 51 HIS C C 13 179.099 0.12 . 1 . . . . 52 HIS C . 6655 1 590 . 1 1 51 51 HIS CA C 13 60.635 0.12 . 1 . . . . 52 HIS CA . 6655 1 591 . 1 1 51 51 HIS CB C 13 29.802 0.12 . 1 . . . . 52 HIS CB . 6655 1 592 . 1 1 51 51 HIS CD2 C 13 126.069 0.12 . 1 . . . . 52 HIS CD2 . 6655 1 593 . 1 1 51 51 HIS CE1 C 13 140.546 0.12 . 1 . . . . 52 HIS CE1 . 6655 1 594 . 1 1 51 51 HIS N N 15 115.631 0.12 . 1 . . . . 52 HIS N . 6655 1 595 . 1 1 51 51 HIS ND1 N 15 170.069 0.12 . 1 . . . . 52 HIS ND1 . 6655 1 596 . 1 1 51 51 HIS NE2 N 15 215.591 0.12 . 1 . . . . 52 HIS NE2 . 6655 1 597 . 1 1 52 52 TYR H H 1 7.983 0.005 . 1 . . . . 53 TYR HN . 6655 1 598 . 1 1 52 52 TYR HA H 1 3.401 0.005 . 1 . . . . 53 TYR HA . 6655 1 599 . 1 1 52 52 TYR HB2 H 1 2.825 0.005 . 1 . . . . 53 TYR HB2 . 6655 1 600 . 1 1 52 52 TYR HB3 H 1 2.567 0.005 . 1 . . . . 53 TYR HB3 . 6655 1 601 . 1 1 52 52 TYR HD1 H 1 6.391 0.005 . 1 . . . . 53 TYR HD1 . 6655 1 602 . 1 1 52 52 TYR HE1 H 1 6.408 0.005 . 1 . . . . 53 TYR HE1 . 6655 1 603 . 1 1 52 52 TYR C C 13 175.769 0.12 . 1 . . . . 53 TYR C . 6655 1 604 . 1 1 52 52 TYR CA C 13 61.828 0.12 . 1 . . . . 53 TYR CA . 6655 1 605 . 1 1 52 52 TYR CB C 13 38.197 0.12 . 1 . . . . 53 TYR CB . 6655 1 606 . 1 1 52 52 TYR CD1 C 13 132.006 0.12 . 1 . . . . 53 TYR CD1 . 6655 1 607 . 1 1 52 52 TYR CE1 C 13 117.822 0.12 . 1 . . . . 53 TYR CE1 . 6655 1 608 . 1 1 52 52 TYR N N 15 116.040 0.12 . 1 . . . . 53 TYR N . 6655 1 609 . 1 1 53 53 GLN H H 1 7.302 0.005 . 1 . . . . 54 GLN HN . 6655 1 610 . 1 1 53 53 GLN HA H 1 4.362 0.005 . 1 . . . . 54 GLN HA . 6655 1 611 . 1 1 53 53 GLN HB2 H 1 2.420 0.005 . 2 . . . . 54 GLN HB2 . 6655 1 612 . 1 1 53 53 GLN HB3 H 1 1.983 0.005 . 2 . . . . 54 GLN HB3 . 6655 1 613 . 1 1 53 53 GLN HG2 H 1 2.533 0.005 . 2 . . . . 54 GLN HG2 . 6655 1 614 . 1 1 53 53 GLN HG3 H 1 2.346 0.005 . 2 . . . . 54 GLN HG3 . 6655 1 615 . 1 1 53 53 GLN HE21 H 1 6.928 0.005 . 2 . . . . 54 GLN HE21 . 6655 1 616 . 1 1 53 53 GLN HE22 H 1 6.837 0.005 . 2 . . . . 54 GLN HE22 . 6655 1 617 . 1 1 53 53 GLN C C 13 175.599 0.12 . 1 . . . . 54 GLN C . 6655 1 618 . 1 1 53 53 GLN CA C 13 56.301 0.12 . 1 . . . . 54 GLN CA . 6655 1 619 . 1 1 53 53 GLN CB C 13 30.405 0.12 . 1 . . . . 54 GLN CB . 6655 1 620 . 1 1 53 53 GLN CG C 13 35.739 0.12 . 1 . . . . 54 GLN CG . 6655 1 621 . 1 1 53 53 GLN N N 15 114.093 0.12 . 1 . . . . 54 GLN N . 6655 1 622 . 1 1 53 53 GLN NE2 N 15 109.786 0.12 . 1 . . . . 54 GLN NE2 . 6655 1 623 . 1 1 54 54 SER H H 1 7.346 0.005 . 1 . . . . 55 SER HN . 6655 1 624 . 1 1 54 54 SER HA H 1 4.494 0.005 . 1 . . . . 55 SER HA . 6655 1 625 . 1 1 54 54 SER HB2 H 1 4.397 0.005 . 2 . . . . 55 SER HB2 . 6655 1 626 . 1 1 54 54 SER HB3 H 1 4.332 0.005 . 2 . . . . 55 SER HB3 . 6655 1 627 . 1 1 54 54 SER C C 13 175.778 0.12 . 1 . . . . 55 SER C . 6655 1 628 . 1 1 54 54 SER CA C 13 58.820 0.12 . 1 . . . . 55 SER CA . 6655 1 629 . 1 1 54 54 SER CB C 13 65.479 0.12 . 1 . . . . 55 SER CB . 6655 1 630 . 1 1 54 54 SER N N 15 113.978 0.12 . 1 . . . . 55 SER N . 6655 1 631 . 1 1 55 55 ARG H H 1 9.191 0.005 . 1 . . . . 56 ARG HN . 6655 1 632 . 1 1 55 55 ARG HA H 1 4.078 0.005 . 1 . . . . 56 ARG HA . 6655 1 633 . 1 1 55 55 ARG HB2 H 1 1.948 0.005 . 1 . . . . 56 ARG HB2 . 6655 1 634 . 1 1 55 55 ARG HG2 H 1 1.795 0.005 . 2 . . . . 56 ARG HG2 . 6655 1 635 . 1 1 55 55 ARG HG3 H 1 1.742 0.005 . 2 . . . . 56 ARG HG3 . 6655 1 636 . 1 1 55 55 ARG HD2 H 1 3.304 0.005 . 2 . . . . 56 ARG HD2 . 6655 1 637 . 1 1 55 55 ARG HD3 H 1 3.267 0.005 . 2 . . . . 56 ARG HD3 . 6655 1 638 . 1 1 55 55 ARG CA C 13 58.541 0.12 . 1 . . . . 56 ARG CA . 6655 1 639 . 1 1 55 55 ARG CB C 13 29.934 0.12 . 1 . . . . 56 ARG CB . 6655 1 640 . 1 1 55 55 ARG CG C 13 27.360 0.12 . 1 . . . . 56 ARG CG . 6655 1 641 . 1 1 55 55 ARG CD C 13 42.651 0.12 . 1 . . . . 56 ARG CD . 6655 1 642 . 1 1 55 55 ARG N N 15 125.795 0.12 . 1 . . . . 56 ARG N . 6655 1 643 . 1 1 56 56 LYS HA H 1 4.071 0.005 . 1 . . . . 57 LYS HA . 6655 1 644 . 1 1 56 56 LYS HB2 H 1 1.859 0.005 . 2 . . . . 57 LYS HB2 . 6655 1 645 . 1 1 56 56 LYS HB3 H 1 1.795 0.005 . 2 . . . . 57 LYS HB3 . 6655 1 646 . 1 1 56 56 LYS HG2 H 1 1.724 0.005 . 2 . . . . 57 LYS HG2 . 6655 1 647 . 1 1 56 56 LYS HG3 H 1 1.575 0.005 . 2 . . . . 57 LYS HG3 . 6655 1 648 . 1 1 56 56 LYS HD2 H 1 1.944 0.005 . 2 . . . . 57 LYS HD2 . 6655 1 649 . 1 1 56 56 LYS HD3 H 1 1.806 0.005 . 2 . . . . 57 LYS HD3 . 6655 1 650 . 1 1 56 56 LYS HE2 H 1 3.093 0.005 . 1 . . . . 57 LYS HE2 . 6655 1 651 . 1 1 56 56 LYS C C 13 178.971 0.12 . 1 . . . . 57 LYS C . 6655 1 652 . 1 1 56 56 LYS CA C 13 60.166 0.12 . 1 . . . . 57 LYS CA . 6655 1 653 . 1 1 56 56 LYS CB C 13 32.356 0.12 . 1 . . . . 57 LYS CB . 6655 1 654 . 1 1 56 56 LYS CG C 13 26.191 0.12 . 1 . . . . 57 LYS CG . 6655 1 655 . 1 1 56 56 LYS CD C 13 29.326 0.12 . 1 . . . . 57 LYS CD . 6655 1 656 . 1 1 56 56 LYS CE C 13 42.194 0.12 . 1 . . . . 57 LYS CE . 6655 1 657 . 1 1 57 57 HIS H H 1 7.320 0.005 . 1 . . . . 58 HIS HN . 6655 1 658 . 1 1 57 57 HIS HA H 1 4.139 0.005 . 1 . . . . 58 HIS HA . 6655 1 659 . 1 1 57 57 HIS HB2 H 1 2.937 0.005 . 2 . . . . 58 HIS HB2 . 6655 1 660 . 1 1 57 57 HIS HB3 H 1 1.910 0.005 . 2 . . . . 58 HIS HB3 . 6655 1 661 . 1 1 57 57 HIS HD2 H 1 7.398 0.005 . 1 . . . . 58 HIS HD2 . 6655 1 662 . 1 1 57 57 HIS HE1 H 1 7.944 0.005 . 1 . . . . 58 HIS HE1 . 6655 1 663 . 1 1 57 57 HIS C C 13 175.838 0.12 . 1 . . . . 58 HIS C . 6655 1 664 . 1 1 57 57 HIS CA C 13 59.821 0.12 . 1 . . . . 58 HIS CA . 6655 1 665 . 1 1 57 57 HIS CB C 13 29.705 0.12 . 1 . . . . 58 HIS CB . 6655 1 666 . 1 1 57 57 HIS CD2 C 13 120.613 0.12 . 1 . . . . 58 HIS CD2 . 6655 1 667 . 1 1 57 57 HIS CE1 C 13 140.042 0.12 . 1 . . . . 58 HIS CE1 . 6655 1 668 . 1 1 57 57 HIS N N 15 117.368 0.12 . 1 . . . . 58 HIS N . 6655 1 669 . 1 1 57 57 HIS ND1 N 15 216.820 0.12 . 1 . . . . 58 HIS ND1 . 6655 1 670 . 1 1 57 57 HIS NE2 N 15 169.864 0.12 . 1 . . . . 58 HIS NE2 . 6655 1 671 . 1 1 58 58 ALA H H 1 7.433 0.005 . 1 . . . . 59 ALA HN . 6655 1 672 . 1 1 58 58 ALA HA H 1 3.866 0.005 . 1 . . . . 59 ALA HA . 6655 1 673 . 1 1 58 58 ALA HB1 H 1 1.564 0.005 . 1 . . . . 59 ALA HB1 . 6655 1 674 . 1 1 58 58 ALA HB2 H 1 1.564 0.005 . 1 . . . . 59 ALA HB1 . 6655 1 675 . 1 1 58 58 ALA HB3 H 1 1.564 0.005 . 1 . . . . 59 ALA HB1 . 6655 1 676 . 1 1 58 58 ALA C C 13 180.679 0.12 . 1 . . . . 59 ALA C . 6655 1 677 . 1 1 58 58 ALA CA C 13 55.310 0.12 . 1 . . . . 59 ALA CA . 6655 1 678 . 1 1 58 58 ALA CB C 13 18.527 0.12 . 1 . . . . 59 ALA CB . 6655 1 679 . 1 1 58 58 ALA N N 15 121.027 0.12 . 1 . . . . 59 ALA N . 6655 1 680 . 1 1 59 59 ASN H H 1 8.641 0.005 . 1 . . . . 60 ASN HN . 6655 1 681 . 1 1 59 59 ASN HA H 1 4.453 0.005 . 1 . . . . 60 ASN HA . 6655 1 682 . 1 1 59 59 ASN HB2 H 1 2.931 0.005 . 2 . . . . 60 ASN HB2 . 6655 1 683 . 1 1 59 59 ASN HB3 H 1 2.843 0.005 . 2 . . . . 60 ASN HB3 . 6655 1 684 . 1 1 59 59 ASN HD21 H 1 7.630 0.005 . 2 . . . . 60 ASN HD21 . 6655 1 685 . 1 1 59 59 ASN HD22 H 1 6.969 0.005 . 2 . . . . 60 ASN HD22 . 6655 1 686 . 1 1 59 59 ASN C C 13 178.204 0.12 . 1 . . . . 60 ASN C . 6655 1 687 . 1 1 59 59 ASN CA C 13 55.704 0.12 . 1 . . . . 60 ASN CA . 6655 1 688 . 1 1 59 59 ASN CB C 13 38.093 0.12 . 1 . . . . 60 ASN CB . 6655 1 689 . 1 1 59 59 ASN N N 15 116.710 0.12 . 1 . . . . 60 ASN N . 6655 1 690 . 1 1 59 59 ASN ND2 N 15 111.909 0.12 . 1 . . . . 60 ASN ND2 . 6655 1 691 . 1 1 60 60 LYS H H 1 7.870 0.005 . 1 . . . . 61 LYS HN . 6655 1 692 . 1 1 60 60 LYS HA H 1 4.024 0.005 . 1 . . . . 61 LYS HA . 6655 1 693 . 1 1 60 60 LYS HB2 H 1 2.101 0.005 . 2 . . . . 61 LYS HB2 . 6655 1 694 . 1 1 60 60 LYS HB3 H 1 1.785 0.005 . 2 . . . . 61 LYS HB3 . 6655 1 695 . 1 1 60 60 LYS HG2 H 1 1.633 0.005 . 2 . . . . 61 LYS HG2 . 6655 1 696 . 1 1 60 60 LYS HG3 H 1 1.568 0.005 . 2 . . . . 61 LYS HG3 . 6655 1 697 . 1 1 60 60 LYS HD2 H 1 1.944 0.005 . 2 . . . . 61 LYS HD2 . 6655 1 698 . 1 1 60 60 LYS HD3 H 1 1.806 0.005 . 2 . . . . 61 LYS HD3 . 6655 1 699 . 1 1 60 60 LYS HE2 H 1 3.093 0.005 . 1 . . . . 61 LYS HE2 . 6655 1 700 . 1 1 60 60 LYS CA C 13 59.350 0.12 . 1 . . . . 61 LYS CA . 6655 1 701 . 1 1 60 60 LYS CB C 13 32.221 0.12 . 1 . . . . 61 LYS CB . 6655 1 702 . 1 1 60 60 LYS CG C 13 25.391 0.12 . 1 . . . . 61 LYS CG . 6655 1 703 . 1 1 60 60 LYS CD C 13 29.370 0.12 . 1 . . . . 61 LYS CD . 6655 1 704 . 1 1 60 60 LYS CE C 13 42.248 0.12 . 1 . . . . 61 LYS CE . 6655 1 705 . 1 1 60 60 LYS N N 15 122.038 0.12 . 1 . . . . 61 LYS N . 6655 1 706 . 1 1 61 61 VAL H H 1 8.467 0.005 . 1 . . . . 62 VAL HN . 6655 1 707 . 1 1 61 61 VAL HA H 1 3.644 0.005 . 1 . . . . 62 VAL HA . 6655 1 708 . 1 1 61 61 VAL HB H 1 2.097 0.005 . 1 . . . . 62 VAL HB . 6655 1 709 . 1 1 61 61 VAL HG11 H 1 1.123 0.005 . 1 . . . . 62 VAL HG11 . 6655 1 710 . 1 1 61 61 VAL HG12 H 1 1.123 0.005 . 1 . . . . 62 VAL HG11 . 6655 1 711 . 1 1 61 61 VAL HG13 H 1 1.123 0.005 . 1 . . . . 62 VAL HG11 . 6655 1 712 . 1 1 61 61 VAL HG21 H 1 0.733 0.005 . 1 . . . . 62 VAL HG21 . 6655 1 713 . 1 1 61 61 VAL HG22 H 1 0.733 0.005 . 1 . . . . 62 VAL HG21 . 6655 1 714 . 1 1 61 61 VAL HG23 H 1 0.733 0.005 . 1 . . . . 62 VAL HG21 . 6655 1 715 . 1 1 61 61 VAL C C 13 177.354 0.12 . 1 . . . . 62 VAL C . 6655 1 716 . 1 1 61 61 VAL CA C 13 66.954 0.12 . 1 . . . . 62 VAL CA . 6655 1 717 . 1 1 61 61 VAL CB C 13 32.042 0.12 . 1 . . . . 62 VAL CB . 6655 1 718 . 1 1 61 61 VAL CG1 C 13 22.012 0.12 . 1 . . . . 62 VAL CG1 . 6655 1 719 . 1 1 61 61 VAL CG2 C 13 23.943 0.12 . 1 . . . . 62 VAL CG2 . 6655 1 720 . 1 1 61 61 VAL N N 15 121.150 0.12 . 1 . . . . 62 VAL N . 6655 1 721 . 1 1 62 62 ARG H H 1 8.029 0.005 . 1 . . . . 63 ARG HN . 6655 1 722 . 1 1 62 62 ARG HA H 1 4.090 0.005 . 1 . . . . 63 ARG HA . 6655 1 723 . 1 1 62 62 ARG HB2 H 1 2.028 0.005 . 2 . . . . 63 ARG HB2 . 6655 1 724 . 1 1 62 62 ARG HB3 H 1 1.827 0.005 . 2 . . . . 63 ARG HB3 . 6655 1 725 . 1 1 62 62 ARG HG2 H 1 1.813 0.005 . 2 . . . . 63 ARG HG2 . 6655 1 726 . 1 1 62 62 ARG HG3 H 1 1.722 0.005 . 2 . . . . 63 ARG HG3 . 6655 1 727 . 1 1 62 62 ARG HD2 H 1 3.280 0.005 . 1 . . . . 63 ARG HD2 . 6655 1 728 . 1 1 62 62 ARG C C 13 179.331 0.12 . 1 . . . . 63 ARG C . 6655 1 729 . 1 1 62 62 ARG CA C 13 59.799 0.12 . 1 . . . . 63 ARG CA . 6655 1 730 . 1 1 62 62 ARG CB C 13 29.817 0.12 . 1 . . . . 63 ARG CB . 6655 1 731 . 1 1 62 62 ARG CG C 13 27.581 0.12 . 1 . . . . 63 ARG CG . 6655 1 732 . 1 1 62 62 ARG CD C 13 43.466 0.12 . 1 . . . . 63 ARG CD . 6655 1 733 . 1 1 62 62 ARG N N 15 120.148 0.12 . 1 . . . . 63 ARG N . 6655 1 734 . 1 1 63 63 ARG H H 1 7.487 0.005 . 1 . . . . 64 ARG HN . 6655 1 735 . 1 1 63 63 ARG HA H 1 4.173 0.005 . 1 . . . . 64 ARG HA . 6655 1 736 . 1 1 63 63 ARG HB2 H 1 1.965 0.005 . 2 . . . . 64 ARG HB2 . 6655 1 737 . 1 1 63 63 ARG HB3 H 1 1.812 0.005 . 2 . . . . 64 ARG HB3 . 6655 1 738 . 1 1 63 63 ARG HG2 H 1 1.738 0.005 . 1 . . . . 64 ARG HG2 . 6655 1 739 . 1 1 63 63 ARG HD2 H 1 3.244 0.005 . 1 . . . . 64 ARG HD2 . 6655 1 740 . 1 1 63 63 ARG C C 13 177.637 0.12 . 1 . . . . 64 ARG C . 6655 1 741 . 1 1 63 63 ARG CA C 13 58.701 0.12 . 1 . . . . 64 ARG CA . 6655 1 742 . 1 1 63 63 ARG CB C 13 30.177 0.12 . 1 . . . . 64 ARG CB . 6655 1 743 . 1 1 63 63 ARG CG C 13 27.359 0.12 . 1 . . . . 64 ARG CG . 6655 1 744 . 1 1 63 63 ARG CD C 13 43.210 0.12 . 1 . . . . 64 ARG CD . 6655 1 745 . 1 1 63 63 ARG N N 15 117.873 0.12 . 1 . . . . 64 ARG N . 6655 1 746 . 1 1 64 64 TYR H H 1 8.184 0.005 . 1 . . . . 65 TYR HN . 6655 1 747 . 1 1 64 64 TYR HA H 1 4.217 0.005 . 1 . . . . 65 TYR HA . 6655 1 748 . 1 1 64 64 TYR HB2 H 1 3.324 0.005 . 1 . . . . 65 TYR HB2 . 6655 1 749 . 1 1 64 64 TYR HB3 H 1 3.222 0.005 . 1 . . . . 65 TYR HB3 . 6655 1 750 . 1 1 64 64 TYR HD1 H 1 7.155 0.005 . 1 . . . . 65 TYR HD1 . 6655 1 751 . 1 1 64 64 TYR HE1 H 1 6.841 0.005 . 1 . . . . 65 TYR HE1 . 6655 1 752 . 1 1 64 64 TYR C C 13 177.947 0.12 . 1 . . . . 65 TYR C . 6655 1 753 . 1 1 64 64 TYR CA C 13 61.051 0.12 . 1 . . . . 65 TYR CA . 6655 1 754 . 1 1 64 64 TYR CB C 13 39.377 0.12 . 1 . . . . 65 TYR CB . 6655 1 755 . 1 1 64 64 TYR CD1 C 13 133.494 0.12 . 1 . . . . 65 TYR CD1 . 6655 1 756 . 1 1 64 64 TYR CE1 C 13 118.120 0.12 . 1 . . . . 65 TYR CE1 . 6655 1 757 . 1 1 64 64 TYR N N 15 121.492 0.12 . 1 . . . . 65 TYR N . 6655 1 758 . 1 1 65 65 MET H H 1 8.699 0.005 . 1 . . . . 66 MET HN . 6655 1 759 . 1 1 65 65 MET HA H 1 4.271 0.005 . 1 . . . . 66 MET HA . 6655 1 760 . 1 1 65 65 MET HB2 H 1 2.229 0.005 . 2 . . . . 66 MET HB2 . 6655 1 761 . 1 1 65 65 MET HB3 H 1 2.185 0.005 . 2 . . . . 66 MET HB3 . 6655 1 762 . 1 1 65 65 MET HG2 H 1 2.935 0.005 . 2 . . . . 66 MET HG2 . 6655 1 763 . 1 1 65 65 MET HG3 H 1 2.882 0.005 . 2 . . . . 66 MET HG3 . 6655 1 764 . 1 1 65 65 MET HE1 H 1 2.186 0.005 . 1 . . . . 66 MET HE1 . 6655 1 765 . 1 1 65 65 MET HE2 H 1 2.186 0.005 . 1 . . . . 66 MET HE1 . 6655 1 766 . 1 1 65 65 MET HE3 H 1 2.186 0.005 . 1 . . . . 66 MET HE1 . 6655 1 767 . 1 1 65 65 MET C C 13 177.436 0.12 . 1 . . . . 66 MET C . 6655 1 768 . 1 1 65 65 MET CA C 13 56.632 0.12 . 1 . . . . 66 MET CA . 6655 1 769 . 1 1 65 65 MET CB C 13 31.806 0.12 . 1 . . . . 66 MET CB . 6655 1 770 . 1 1 65 65 MET CG C 13 32.864 0.12 . 1 . . . . 66 MET CG . 6655 1 771 . 1 1 65 65 MET CE C 13 16.977 0.12 . 1 . . . . 66 MET CE . 6655 1 772 . 1 1 65 65 MET N N 15 117.176 0.12 . 1 . . . . 66 MET N . 6655 1 773 . 1 1 66 66 ALA H H 1 7.620 0.005 . 1 . . . . 67 ALA HN . 6655 1 774 . 1 1 66 66 ALA HA H 1 4.266 0.005 . 1 . . . . 67 ALA HA . 6655 1 775 . 1 1 66 66 ALA HB1 H 1 1.541 0.005 . 1 . . . . 67 ALA HB1 . 6655 1 776 . 1 1 66 66 ALA HB2 H 1 1.541 0.005 . 1 . . . . 67 ALA HB1 . 6655 1 777 . 1 1 66 66 ALA HB3 H 1 1.541 0.005 . 1 . . . . 67 ALA HB1 . 6655 1 778 . 1 1 66 66 ALA C C 13 179.078 0.12 . 1 . . . . 67 ALA C . 6655 1 779 . 1 1 66 66 ALA CA C 13 53.806 0.12 . 1 . . . . 67 ALA CA . 6655 1 780 . 1 1 66 66 ALA CB C 13 18.639 0.12 . 1 . . . . 67 ALA CB . 6655 1 781 . 1 1 66 66 ALA N N 15 121.595 0.12 . 1 . . . . 67 ALA N . 6655 1 782 . 1 1 67 67 ILE H H 1 7.729 0.005 . 1 . . . . 68 ILE HN . 6655 1 783 . 1 1 67 67 ILE HA H 1 4.089 0.005 . 1 . . . . 68 ILE HA . 6655 1 784 . 1 1 67 67 ILE HB H 1 1.884 0.005 . 1 . . . . 68 ILE HB . 6655 1 785 . 1 1 67 67 ILE HG12 H 1 1.566 0.005 . 2 . . . . 68 ILE HG12 . 6655 1 786 . 1 1 67 67 ILE HG13 H 1 1.246 0.005 . 2 . . . . 68 ILE HG13 . 6655 1 787 . 1 1 67 67 ILE HG21 H 1 0.900 0.005 . 1 . . . . 68 ILE HG21 . 6655 1 788 . 1 1 67 67 ILE HG22 H 1 0.900 0.005 . 1 . . . . 68 ILE HG21 . 6655 1 789 . 1 1 67 67 ILE HG23 H 1 0.900 0.005 . 1 . . . . 68 ILE HG21 . 6655 1 790 . 1 1 67 67 ILE HD11 H 1 0.879 0.005 . 1 . . . . 68 ILE HD11 . 6655 1 791 . 1 1 67 67 ILE HD12 H 1 0.879 0.005 . 1 . . . . 68 ILE HD11 . 6655 1 792 . 1 1 67 67 ILE HD13 H 1 0.879 0.005 . 1 . . . . 68 ILE HD11 . 6655 1 793 . 1 1 67 67 ILE C C 13 176.888 0.12 . 1 . . . . 68 ILE C . 6655 1 794 . 1 1 67 67 ILE CA C 13 62.299 0.12 . 1 . . . . 68 ILE CA . 6655 1 795 . 1 1 67 67 ILE CB C 13 38.668 0.12 . 1 . . . . 68 ILE CB . 6655 1 796 . 1 1 67 67 ILE CG1 C 13 27.721 0.12 . 1 . . . . 68 ILE CG1 . 6655 1 797 . 1 1 67 67 ILE CG2 C 13 17.332 0.12 . 1 . . . . 68 ILE CG2 . 6655 1 798 . 1 1 67 67 ILE CD1 C 13 13.241 0.12 . 1 . . . . 68 ILE CD1 . 6655 1 799 . 1 1 67 67 ILE N N 15 116.805 0.12 . 1 . . . . 68 ILE N . 6655 1 800 . 1 1 68 68 ASN H H 1 8.063 0.005 . 1 . . . . 69 ASN HN . 6655 1 801 . 1 1 68 68 ASN HA H 1 4.641 0.005 . 1 . . . . 69 ASN HA . 6655 1 802 . 1 1 68 68 ASN HB2 H 1 2.721 0.005 . 2 . . . . 69 ASN HB2 . 6655 1 803 . 1 1 68 68 ASN HB3 H 1 2.514 0.005 . 2 . . . . 69 ASN HB3 . 6655 1 804 . 1 1 68 68 ASN HD21 H 1 7.097 0.005 . 2 . . . . 69 ASN HD21 . 6655 1 805 . 1 1 68 68 ASN HD22 H 1 6.748 0.005 . 2 . . . . 69 ASN HD22 . 6655 1 806 . 1 1 68 68 ASN C C 13 175.173 0.12 . 1 . . . . 69 ASN C . 6655 1 807 . 1 1 68 68 ASN CA C 13 54.003 0.12 . 1 . . . . 69 ASN CA . 6655 1 808 . 1 1 68 68 ASN CB C 13 38.915 0.12 . 1 . . . . 69 ASN CB . 6655 1 809 . 1 1 68 68 ASN N N 15 119.873 0.12 . 1 . . . . 69 ASN N . 6655 1 810 . 1 1 68 68 ASN ND2 N 15 113.841 0.12 . 1 . . . . 69 ASN ND2 . 6655 1 811 . 1 1 69 69 GLN H H 1 8.156 0.005 . 1 . . . . 70 GLN HN . 6655 1 812 . 1 1 69 69 GLN HA H 1 4.364 0.005 . 1 . . . . 70 GLN HA . 6655 1 813 . 1 1 69 69 GLN HB2 H 1 2.225 0.005 . 2 . . . . 70 GLN HB2 . 6655 1 814 . 1 1 69 69 GLN HB3 H 1 2.086 0.005 . 2 . . . . 70 GLN HB3 . 6655 1 815 . 1 1 69 69 GLN HG2 H 1 2.408 0.005 . 1 . . . . 70 GLN HG2 . 6655 1 816 . 1 1 69 69 GLN HE21 H 1 7.521 0.005 . 2 . . . . 70 GLN HE21 . 6655 1 817 . 1 1 69 69 GLN HE22 H 1 6.828 0.005 . 2 . . . . 70 GLN HE22 . 6655 1 818 . 1 1 69 69 GLN C C 13 176.474 0.12 . 1 . . . . 70 GLN C . 6655 1 819 . 1 1 69 69 GLN CA C 13 56.189 0.12 . 1 . . . . 70 GLN CA . 6655 1 820 . 1 1 69 69 GLN CB C 13 29.349 0.12 . 1 . . . . 70 GLN CB . 6655 1 821 . 1 1 69 69 GLN CG C 13 33.870 0.12 . 1 . . . . 70 GLN CG . 6655 1 822 . 1 1 69 69 GLN N N 15 119.758 0.12 . 1 . . . . 70 GLN N . 6655 1 823 . 1 1 69 69 GLN NE2 N 15 112.238 0.12 . 1 . . . . 70 GLN NE2 . 6655 1 824 . 1 1 70 70 GLY H H 1 8.316 0.005 . 1 . . . . 71 GLY HN . 6655 1 825 . 1 1 70 70 GLY HA2 H 1 4.031 0.005 . 1 . . . . 71 GLY HA2 . 6655 1 826 . 1 1 70 70 GLY C C 13 174.470 0.12 . 1 . . . . 71 GLY C . 6655 1 827 . 1 1 70 70 GLY CA C 13 45.267 0.12 . 1 . . . . 71 GLY CA . 6655 1 828 . 1 1 70 70 GLY N N 15 109.327 0.12 . 1 . . . . 71 GLY N . 6655 1 829 . 1 1 71 71 GLU H H 1 8.352 0.005 . 1 . . . . 72 GLU HN . 6655 1 830 . 1 1 71 71 GLU HA H 1 4.331 0.005 . 1 . . . . 72 GLU HA . 6655 1 831 . 1 1 71 71 GLU HB2 H 1 1.990 0.005 . 2 . . . . 72 GLU HB2 . 6655 1 832 . 1 1 71 71 GLU HB3 H 1 2.121 0.005 . 2 . . . . 72 GLU HB3 . 6655 1 833 . 1 1 71 71 GLU HG2 H 1 2.308 0.005 . 2 . . . . 72 GLU HG2 . 6655 1 834 . 1 1 71 71 GLU HG3 H 1 2.272 0.005 . 2 . . . . 72 GLU HG3 . 6655 1 835 . 1 1 71 71 GLU C C 13 176.450 0.12 . 1 . . . . 72 GLU C . 6655 1 836 . 1 1 71 71 GLU CA C 13 56.700 0.12 . 1 . . . . 72 GLU CA . 6655 1 837 . 1 1 71 71 GLU CB C 13 30.345 0.12 . 1 . . . . 72 GLU CB . 6655 1 838 . 1 1 71 71 GLU CG C 13 36.264 0.12 . 1 . . . . 72 GLU CG . 6655 1 839 . 1 1 71 71 GLU N N 15 120.687 0.12 . 1 . . . . 72 GLU N . 6655 1 840 . 1 1 72 72 ASP H H 1 8.467 0.005 . 1 . . . . 73 ASP HN . 6655 1 841 . 1 1 72 72 ASP HA H 1 4.655 0.005 . 1 . . . . 73 ASP HA . 6655 1 842 . 1 1 72 72 ASP HB2 H 1 2.746 0.005 . 2 . . . . 73 ASP HB2 . 6655 1 843 . 1 1 72 72 ASP HB3 H 1 2.679 0.005 . 2 . . . . 73 ASP HB3 . 6655 1 844 . 1 1 72 72 ASP C C 13 176.253 0.12 . 1 . . . . 73 ASP C . 6655 1 845 . 1 1 72 72 ASP CA C 13 54.303 0.12 . 1 . . . . 73 ASP CA . 6655 1 846 . 1 1 72 72 ASP CB C 13 41.159 0.12 . 1 . . . . 73 ASP CB . 6655 1 847 . 1 1 72 72 ASP N N 15 120.739 0.12 . 1 . . . . 73 ASP N . 6655 1 848 . 1 1 73 73 SER H H 1 8.151 0.005 . 1 . . . . 74 SER HN . 6655 1 849 . 1 1 73 73 SER HA H 1 4.460 0.005 . 1 . . . . 74 SER HA . 6655 1 850 . 1 1 73 73 SER HB2 H 1 3.908 0.005 . 2 . . . . 74 SER HB2 . 6655 1 851 . 1 1 73 73 SER HB3 H 1 3.879 0.005 . 2 . . . . 74 SER HB3 . 6655 1 852 . 1 1 73 73 SER C C 13 174.275 0.12 . 1 . . . . 74 SER C . 6655 1 853 . 1 1 73 73 SER CA C 13 58.349 0.12 . 1 . . . . 74 SER CA . 6655 1 854 . 1 1 73 73 SER CB C 13 63.744 0.12 . 1 . . . . 74 SER CB . 6655 1 855 . 1 1 73 73 SER N N 15 115.685 0.12 . 1 . . . . 74 SER N . 6655 1 856 . 1 1 74 74 VAL H H 1 8.084 0.005 . 1 . . . . 75 VAL HN . 6655 1 857 . 1 1 74 74 VAL HA H 1 4.427 0.005 . 1 . . . . 75 VAL HA . 6655 1 858 . 1 1 74 74 VAL HB H 1 2.157 0.005 . 1 . . . . 75 VAL HB . 6655 1 859 . 1 1 74 74 VAL HG11 H 1 1.010 0.005 . 2 . . . . 75 VAL HG11 . 6655 1 860 . 1 1 74 74 VAL HG12 H 1 1.010 0.005 . 2 . . . . 75 VAL HG11 . 6655 1 861 . 1 1 74 74 VAL HG13 H 1 1.010 0.005 . 2 . . . . 75 VAL HG11 . 6655 1 862 . 1 1 74 74 VAL HG21 H 1 0.987 0.005 . 2 . . . . 75 VAL HG21 . 6655 1 863 . 1 1 74 74 VAL HG22 H 1 0.987 0.005 . 2 . . . . 75 VAL HG21 . 6655 1 864 . 1 1 74 74 VAL HG23 H 1 0.987 0.005 . 2 . . . . 75 VAL HG21 . 6655 1 865 . 1 1 74 74 VAL CA C 13 60.407 0.12 . 1 . . . . 75 VAL CA . 6655 1 866 . 1 1 74 74 VAL CB C 13 32.306 0.12 . 1 . . . . 75 VAL CB . 6655 1 867 . 1 1 74 74 VAL CG1 C 13 21.199 0.12 . 2 . . . . 75 VAL CG1 . 6655 1 868 . 1 1 74 74 VAL CG2 C 13 20.569 0.12 . 2 . . . . 75 VAL CG2 . 6655 1 869 . 1 1 74 74 VAL N N 15 122.725 0.12 . 1 . . . . 75 VAL N . 6655 1 870 . 1 1 75 75 PRO HA H 1 4.403 0.005 . 1 . . . . 76 PRO HA . 6655 1 871 . 1 1 75 75 PRO HB2 H 1 2.341 0.005 . 2 . . . . 76 PRO HB2 . 6655 1 872 . 1 1 75 75 PRO HB3 H 1 1.961 0.005 . 2 . . . . 76 PRO HB3 . 6655 1 873 . 1 1 75 75 PRO HG2 H 1 2.081 0.005 . 2 . . . . 76 PRO HG2 . 6655 1 874 . 1 1 75 75 PRO HG3 H 1 2.031 0.005 . 2 . . . . 76 PRO HG3 . 6655 1 875 . 1 1 75 75 PRO HD2 H 1 3.904 0.005 . 2 . . . . 76 PRO HD2 . 6655 1 876 . 1 1 75 75 PRO HD3 H 1 3.724 0.005 . 2 . . . . 76 PRO HD3 . 6655 1 877 . 1 1 75 75 PRO C C 13 176.894 0.12 . 1 . . . . 76 PRO C . 6655 1 878 . 1 1 75 75 PRO CA C 13 63.569 0.12 . 1 . . . . 76 PRO CA . 6655 1 879 . 1 1 75 75 PRO CB C 13 32.023 0.12 . 1 . . . . 76 PRO CB . 6655 1 880 . 1 1 75 75 PRO CG C 13 27.473 0.12 . 1 . . . . 76 PRO CG . 6655 1 881 . 1 1 75 75 PRO CD C 13 50.937 0.12 . 1 . . . . 76 PRO CD . 6655 1 882 . 1 1 76 76 ALA H H 1 8.302 0.005 . 1 . . . . 77 ALA HN . 6655 1 883 . 1 1 76 76 ALA HA H 1 4.287 0.005 . 1 . . . . 77 ALA HA . 6655 1 884 . 1 1 76 76 ALA HB1 H 1 1.426 0.005 . 1 . . . . 77 ALA HB1 . 6655 1 885 . 1 1 76 76 ALA HB2 H 1 1.426 0.005 . 1 . . . . 77 ALA HB1 . 6655 1 886 . 1 1 76 76 ALA HB3 H 1 1.426 0.005 . 1 . . . . 77 ALA HB1 . 6655 1 887 . 1 1 76 76 ALA C C 13 178.024 0.12 . 1 . . . . 77 ALA C . 6655 1 888 . 1 1 76 76 ALA CA C 13 52.610 0.12 . 1 . . . . 77 ALA CA . 6655 1 889 . 1 1 76 76 ALA CB C 13 19.175 0.12 . 1 . . . . 77 ALA CB . 6655 1 890 . 1 1 76 76 ALA N N 15 123.667 0.12 . 1 . . . . 77 ALA N . 6655 1 891 . 1 1 77 77 LYS H H 1 8.218 0.005 . 1 . . . . 78 LYS HN . 6655 1 892 . 1 1 77 77 LYS HA H 1 4.297 0.005 . 1 . . . . 78 LYS HA . 6655 1 893 . 1 1 77 77 LYS HB2 H 1 1.800 0.005 . 2 . . . . 78 LYS HB2 . 6655 1 894 . 1 1 77 77 LYS HB3 H 1 1.758 0.005 . 2 . . . . 78 LYS HB3 . 6655 1 895 . 1 1 77 77 LYS HG2 H 1 1.479 0.005 . 2 . . . . 78 LYS HG2 . 6655 1 896 . 1 1 77 77 LYS HG3 H 1 1.408 0.005 . 2 . . . . 78 LYS HG3 . 6655 1 897 . 1 1 77 77 LYS HD2 H 1 1.767 0.005 . 2 . . . . 78 LYS HD2 . 6655 1 898 . 1 1 77 77 LYS HD3 H 1 1.676 0.005 . 2 . . . . 78 LYS HD3 . 6655 1 899 . 1 1 77 77 LYS HE2 H 1 3.020 0.005 . 1 . . . . 78 LYS HE2 . 6655 1 900 . 1 1 77 77 LYS C C 13 178.128 0.12 . 1 . . . . 78 LYS C . 6655 1 901 . 1 1 77 77 LYS CA C 13 56.171 0.12 . 1 . . . . 78 LYS CA . 6655 1 902 . 1 1 77 77 LYS CB C 13 32.982 0.12 . 1 . . . . 78 LYS CB . 6655 1 903 . 1 1 77 77 LYS CG C 13 24.660 0.12 . 1 . . . . 78 LYS CG . 6655 1 904 . 1 1 77 77 LYS CD C 13 29.097 0.12 . 1 . . . . 78 LYS CD . 6655 1 905 . 1 1 77 77 LYS CE C 13 41.998 0.12 . 1 . . . . 78 LYS CE . 6655 1 906 . 1 1 77 77 LYS N N 15 120.244 0.12 . 1 . . . . 78 LYS N . 6655 1 907 . 1 1 78 78 LYS H H 1 8.181 0.005 . 1 . . . . 79 LYS HN . 6655 1 908 . 1 1 78 78 LYS HA H 1 4.333 0.005 . 1 . . . . 79 LYS HA . 6655 1 909 . 1 1 78 78 LYS HB2 H 1 1.748 0.005 . 2 . . . . 79 LYS HB2 . 6655 1 910 . 1 1 78 78 LYS HB3 H 1 1.711 0.005 . 2 . . . . 79 LYS HB3 . 6655 1 911 . 1 1 78 78 LYS HG2 H 1 1.479 0.005 . 2 . . . . 79 LYS HG2 . 6655 1 912 . 1 1 78 78 LYS HG3 H 1 1.408 0.005 . 2 . . . . 79 LYS HG3 . 6655 1 913 . 1 1 78 78 LYS HD2 H 1 1.767 0.005 . 2 . . . . 79 LYS HD2 . 6655 1 914 . 1 1 78 78 LYS HD3 H 1 1.676 0.005 . 2 . . . . 79 LYS HD3 . 6655 1 915 . 1 1 78 78 LYS HE2 H 1 3.020 0.005 . 1 . . . . 79 LYS HE2 . 6655 1 916 . 1 1 78 78 LYS C C 13 176.194 0.12 . 1 . . . . 79 LYS C . 6655 1 917 . 1 1 78 78 LYS CA C 13 56.437 0.12 . 1 . . . . 79 LYS CA . 6655 1 918 . 1 1 78 78 LYS CB C 13 33.161 0.12 . 1 . . . . 79 LYS CB . 6655 1 919 . 1 1 78 78 LYS CG C 13 24.566 0.12 . 1 . . . . 79 LYS CG . 6655 1 920 . 1 1 78 78 LYS CD C 13 28.998 0.12 . 1 . . . . 79 LYS CD . 6655 1 921 . 1 1 78 78 LYS CE C 13 41.951 0.12 . 1 . . . . 79 LYS CE . 6655 1 922 . 1 1 78 78 LYS N N 15 122.058 0.12 . 1 . . . . 79 LYS N . 6655 1 923 . 1 1 79 79 PHE H H 1 8.223 0.005 . 1 . . . . 80 PHE HN . 6655 1 924 . 1 1 79 79 PHE HA H 1 4.645 0.005 . 1 . . . . 80 PHE HA . 6655 1 925 . 1 1 79 79 PHE HB2 H 1 3.140 0.005 . 2 . . . . 80 PHE HB2 . 6655 1 926 . 1 1 79 79 PHE HB3 H 1 3.064 0.005 . 2 . . . . 80 PHE HB3 . 6655 1 927 . 1 1 79 79 PHE HD1 H 1 7.296 0.005 . 1 . . . . 80 PHE HD1 . 6655 1 928 . 1 1 79 79 PHE HE1 H 1 7.373 0.005 . 1 . . . . 80 PHE HE1 . 6655 1 929 . 1 1 79 79 PHE HZ H 1 7.333 0.005 . 1 . . . . 80 PHE HZ . 6655 1 930 . 1 1 79 79 PHE C C 13 175.324 0.12 . 1 . . . . 80 PHE C . 6655 1 931 . 1 1 79 79 PHE CA C 13 57.535 0.12 . 1 . . . . 80 PHE CA . 6655 1 932 . 1 1 79 79 PHE CB C 13 39.778 0.12 . 1 . . . . 80 PHE CB . 6655 1 933 . 1 1 79 79 PHE CD1 C 13 131.662 0.12 . 1 . . . . 80 PHE CD1 . 6655 1 934 . 1 1 79 79 PHE CE1 C 13 131.429 0.12 . 1 . . . . 80 PHE CE1 . 6655 1 935 . 1 1 79 79 PHE CZ C 13 129.779 0.12 . 1 . . . . 80 PHE CZ . 6655 1 936 . 1 1 79 79 PHE N N 15 121.444 0.12 . 1 . . . . 80 PHE N . 6655 1 937 . 1 1 80 80 LYS H H 1 8.165 0.005 . 1 . . . . 81 LYS HN . 6655 1 938 . 1 1 80 80 LYS HA H 1 4.278 0.005 . 1 . . . . 81 LYS HA . 6655 1 939 . 1 1 80 80 LYS HB2 H 1 1.799 0.005 . 2 . . . . 81 LYS HB2 . 6655 1 940 . 1 1 80 80 LYS HB3 H 1 1.713 0.005 . 2 . . . . 81 LYS HB3 . 6655 1 941 . 1 1 80 80 LYS HG2 H 1 1.408 0.005 . 2 . . . . 81 LYS HG2 . 6655 1 942 . 1 1 80 80 LYS HG3 H 1 1.479 0.005 . 2 . . . . 81 LYS HG3 . 6655 1 943 . 1 1 80 80 LYS HD2 H 1 1.767 0.005 . 2 . . . . 81 LYS HD2 . 6655 1 944 . 1 1 80 80 LYS HD3 H 1 1.677 0.005 . 2 . . . . 81 LYS HD3 . 6655 1 945 . 1 1 80 80 LYS HE2 H 1 3.020 0.005 . 1 . . . . 81 LYS HE2 . 6655 1 946 . 1 1 80 80 LYS C C 13 175.424 0.12 . 1 . . . . 81 LYS C . 6655 1 947 . 1 1 80 80 LYS CA C 13 55.870 0.12 . 1 . . . . 81 LYS CA . 6655 1 948 . 1 1 80 80 LYS CB C 13 33.337 0.12 . 1 . . . . 81 LYS CB . 6655 1 949 . 1 1 80 80 LYS CG C 13 24.605 0.12 . 1 . . . . 81 LYS CG . 6655 1 950 . 1 1 80 80 LYS CD C 13 29.044 0.12 . 1 . . . . 81 LYS CD . 6655 1 951 . 1 1 80 80 LYS CE C 13 41.918 0.12 . 1 . . . . 81 LYS CE . 6655 1 952 . 1 1 80 80 LYS N N 15 123.985 0.12 . 1 . . . . 81 LYS N . 6655 1 953 . 1 1 81 81 ALA H H 1 8.233 0.005 . 1 . . . . 82 ALA HN . 6655 1 954 . 1 1 81 81 ALA HA H 1 4.285 0.005 . 1 . . . . 82 ALA HA . 6655 1 955 . 1 1 81 81 ALA HB1 H 1 1.409 0.005 . 1 . . . . 82 ALA HB1 . 6655 1 956 . 1 1 81 81 ALA HB2 H 1 1.409 0.005 . 1 . . . . 82 ALA HB1 . 6655 1 957 . 1 1 81 81 ALA HB3 H 1 1.409 0.005 . 1 . . . . 82 ALA HB1 . 6655 1 958 . 1 1 81 81 ALA C C 13 176.914 0.12 . 1 . . . . 82 ALA C . 6655 1 959 . 1 1 81 81 ALA CA C 13 51.994 0.12 . 1 . . . . 82 ALA CA . 6655 1 960 . 1 1 81 81 ALA CB C 13 19.415 0.12 . 1 . . . . 82 ALA CB . 6655 1 961 . 1 1 81 81 ALA N N 15 126.032 0.12 . 1 . . . . 82 ALA N . 6655 1 962 . 1 1 82 82 ALA H H 1 8.310 0.005 . 1 . . . . 83 ALA HN . 6655 1 963 . 1 1 82 82 ALA HA H 1 4.610 0.005 . 1 . . . . 83 ALA HA . 6655 1 964 . 1 1 82 82 ALA HB1 H 1 1.401 0.005 . 1 . . . . 83 ALA HB1 . 6655 1 965 . 1 1 82 82 ALA HB2 H 1 1.401 0.005 . 1 . . . . 83 ALA HB1 . 6655 1 966 . 1 1 82 82 ALA HB3 H 1 1.401 0.005 . 1 . . . . 83 ALA HB1 . 6655 1 967 . 1 1 82 82 ALA CA C 13 50.317 0.12 . 1 . . . . 83 ALA CA . 6655 1 968 . 1 1 82 82 ALA CB C 13 18.154 0.12 . 1 . . . . 83 ALA CB . 6655 1 969 . 1 1 82 82 ALA N N 15 124.977 0.12 . 1 . . . . 83 ALA N . 6655 1 970 . 1 1 83 83 PRO HA H 1 4.412 0.005 . 1 . . . . 84 PRO HA . 6655 1 971 . 1 1 83 83 PRO HB2 H 1 2.337 0.005 . 2 . . . . 84 PRO HB2 . 6655 1 972 . 1 1 83 83 PRO HB3 H 1 1.947 0.005 . 2 . . . . 84 PRO HB3 . 6655 1 973 . 1 1 83 83 PRO HG2 H 1 2.081 0.005 . 2 . . . . 84 PRO HG2 . 6655 1 974 . 1 1 83 83 PRO HG3 H 1 2.030 0.005 . 2 . . . . 84 PRO HG3 . 6655 1 975 . 1 1 83 83 PRO HD2 H 1 3.673 0.005 . 2 . . . . 84 PRO HD2 . 6655 1 976 . 1 1 83 83 PRO HD3 H 1 3.821 0.005 . 2 . . . . 84 PRO HD3 . 6655 1 977 . 1 1 83 83 PRO C C 13 176.731 0.12 . 1 . . . . 84 PRO C . 6655 1 978 . 1 1 83 83 PRO CA C 13 63.170 0.12 . 1 . . . . 84 PRO CA . 6655 1 979 . 1 1 83 83 PRO CB C 13 32.062 0.12 . 1 . . . . 84 PRO CB . 6655 1 980 . 1 1 83 83 PRO CG C 13 27.480 0.12 . 1 . . . . 84 PRO CG . 6655 1 981 . 1 1 83 83 PRO CD C 13 50.444 0.12 . 1 . . . . 84 PRO CD . 6655 1 982 . 1 1 84 84 ALA H H 1 8.366 0.005 . 1 . . . . 85 ALA HN . 6655 1 983 . 1 1 84 84 ALA HA H 1 4.315 0.005 . 1 . . . . 85 ALA HA . 6655 1 984 . 1 1 84 84 ALA HB1 H 1 1.421 0.005 . 1 . . . . 85 ALA HB1 . 6655 1 985 . 1 1 84 84 ALA HB2 H 1 1.421 0.005 . 1 . . . . 85 ALA HB1 . 6655 1 986 . 1 1 84 84 ALA HB3 H 1 1.421 0.005 . 1 . . . . 85 ALA HB1 . 6655 1 987 . 1 1 84 84 ALA C C 13 177.767 0.12 . 1 . . . . 85 ALA C . 6655 1 988 . 1 1 84 84 ALA CA C 13 52.449 0.12 . 1 . . . . 85 ALA CA . 6655 1 989 . 1 1 84 84 ALA CB C 13 19.261 0.12 . 1 . . . . 85 ALA CB . 6655 1 990 . 1 1 84 84 ALA N N 15 123.910 0.12 . 1 . . . . 85 ALA N . 6655 1 991 . 1 1 85 85 GLU H H 1 8.382 0.005 . 1 . . . . 86 GLU HN . 6655 1 992 . 1 1 85 85 GLU HA H 1 4.343 0.005 . 1 . . . . 86 GLU HA . 6655 1 993 . 1 1 85 85 GLU HB2 H 1 2.050 0.005 . 2 . . . . 86 GLU HB2 . 6655 1 994 . 1 1 85 85 GLU HB3 H 1 1.980 0.005 . 2 . . . . 86 GLU HB3 . 6655 1 995 . 1 1 85 85 GLU HG2 H 1 2.307 0.005 . 2 . . . . 86 GLU HG2 . 6655 1 996 . 1 1 85 85 GLU HG3 H 1 2.278 0.005 . 2 . . . . 86 GLU HG3 . 6655 1 997 . 1 1 85 85 GLU C C 13 176.497 0.12 . 1 . . . . 86 GLU C . 6655 1 998 . 1 1 85 85 GLU CA C 13 56.501 0.12 . 1 . . . . 86 GLU CA . 6655 1 999 . 1 1 85 85 GLU CB C 13 30.352 0.12 . 1 . . . . 86 GLU CB . 6655 1 1000 . 1 1 85 85 GLU CG C 13 36.265 0.12 . 1 . . . . 86 GLU CG . 6655 1 1001 . 1 1 85 85 GLU N N 15 119.954 0.12 . 1 . . . . 86 GLU N . 6655 1 1002 . 1 1 86 86 ILE H H 1 8.207 0.005 . 1 . . . . 87 ILE HN . 6655 1 1003 . 1 1 86 86 ILE HA H 1 4.245 0.005 . 1 . . . . 87 ILE HA . 6655 1 1004 . 1 1 86 86 ILE HB H 1 1.919 0.005 . 1 . . . . 87 ILE HB . 6655 1 1005 . 1 1 86 86 ILE HG12 H 1 1.514 0.005 . 2 . . . . 87 ILE HG12 . 6655 1 1006 . 1 1 86 86 ILE HG13 H 1 1.229 0.005 . 2 . . . . 87 ILE HG13 . 6655 1 1007 . 1 1 86 86 ILE HG21 H 1 0.949 0.005 . 1 . . . . 87 ILE HG21 . 6655 1 1008 . 1 1 86 86 ILE HG22 H 1 0.949 0.005 . 1 . . . . 87 ILE HG21 . 6655 1 1009 . 1 1 86 86 ILE HG23 H 1 0.949 0.005 . 1 . . . . 87 ILE HG21 . 6655 1 1010 . 1 1 86 86 ILE HD11 H 1 0.892 0.005 . 1 . . . . 87 ILE HD11 . 6655 1 1011 . 1 1 86 86 ILE HD12 H 1 0.892 0.005 . 1 . . . . 87 ILE HD11 . 6655 1 1012 . 1 1 86 86 ILE HD13 H 1 0.892 0.005 . 1 . . . . 87 ILE HD11 . 6655 1 1013 . 1 1 86 86 ILE C C 13 176.294 0.12 . 1 . . . . 87 ILE C . 6655 1 1014 . 1 1 86 86 ILE CA C 13 60.990 0.12 . 1 . . . . 87 ILE CA . 6655 1 1015 . 1 1 86 86 ILE CB C 13 38.804 0.12 . 1 . . . . 87 ILE CB . 6655 1 1016 . 1 1 86 86 ILE CG1 C 13 27.301 0.12 . 1 . . . . 87 ILE CG1 . 6655 1 1017 . 1 1 86 86 ILE CG2 C 13 17.589 0.12 . 1 . . . . 87 ILE CG2 . 6655 1 1018 . 1 1 86 86 ILE CD1 C 13 12.966 0.12 . 1 . . . . 87 ILE CD1 . 6655 1 1019 . 1 1 86 86 ILE N N 15 121.908 0.12 . 1 . . . . 87 ILE N . 6655 1 1020 . 1 1 87 87 SER H H 1 8.440 0.005 . 1 . . . . 88 SER HN . 6655 1 1021 . 1 1 87 87 SER HA H 1 4.542 0.005 . 1 . . . . 88 SER HA . 6655 1 1022 . 1 1 87 87 SER HB2 H 1 3.926 0.005 . 2 . . . . 88 SER HB2 . 6655 1 1023 . 1 1 87 87 SER HB3 H 1 3.875 0.005 . 2 . . . . 88 SER HB3 . 6655 1 1024 . 1 1 87 87 SER C C 13 174.471 0.12 . 1 . . . . 88 SER C . 6655 1 1025 . 1 1 87 87 SER CA C 13 58.068 0.12 . 1 . . . . 88 SER CA . 6655 1 1026 . 1 1 87 87 SER CB C 13 63.918 0.12 . 1 . . . . 88 SER CB . 6655 1 1027 . 1 1 87 87 SER N N 15 120.079 0.12 . 1 . . . . 88 SER N . 6655 1 1028 . 1 1 88 88 ASP H H 1 8.436 0.005 . 1 . . . . 89 ASP HN . 6655 1 1029 . 1 1 88 88 ASP HA H 1 4.655 0.005 . 1 . . . . 89 ASP HA . 6655 1 1030 . 1 1 88 88 ASP HB2 H 1 2.749 0.005 . 1 . . . . 89 ASP HB2 . 6655 1 1031 . 1 1 88 88 ASP C C 13 176.906 0.12 . 1 . . . . 89 ASP C . 6655 1 1032 . 1 1 88 88 ASP CA C 13 54.667 0.12 . 1 . . . . 89 ASP CA . 6655 1 1033 . 1 1 88 88 ASP CB C 13 41.159 0.12 . 1 . . . . 89 ASP CB . 6655 1 1034 . 1 1 88 88 ASP N N 15 122.943 0.12 . 1 . . . . 89 ASP N . 6655 1 1035 . 1 1 89 89 GLY H H 1 8.351 0.005 . 1 . . . . 90 GLY HN . 6655 1 1036 . 1 1 89 89 GLY HA2 H 1 3.986 0.005 . 1 . . . . 90 GLY HA2 . 6655 1 1037 . 1 1 89 89 GLY C C 13 174.576 0.12 . 1 . . . . 90 GLY C . 6655 1 1038 . 1 1 89 89 GLY CA C 13 45.505 0.12 . 1 . . . . 90 GLY CA . 6655 1 1039 . 1 1 89 89 GLY N N 15 108.568 0.12 . 1 . . . . 90 GLY N . 6655 1 1040 . 1 1 90 90 GLU H H 1 8.245 0.005 . 1 . . . . 91 GLU HN . 6655 1 1041 . 1 1 90 90 GLU HA H 1 4.340 0.005 . 1 . . . . 91 GLU HA . 6655 1 1042 . 1 1 90 90 GLU HB2 H 1 2.118 0.005 . 2 . . . . 91 GLU HB2 . 6655 1 1043 . 1 1 90 90 GLU HB3 H 1 1.992 0.005 . 2 . . . . 91 GLU HB3 . 6655 1 1044 . 1 1 90 90 GLU HG2 H 1 2.307 0.005 . 2 . . . . 91 GLU HG2 . 6655 1 1045 . 1 1 90 90 GLU HG3 H 1 2.278 0.005 . 2 . . . . 91 GLU HG3 . 6655 1 1046 . 1 1 90 90 GLU C C 13 176.396 0.12 . 1 . . . . 91 GLU C . 6655 1 1047 . 1 1 90 90 GLU CA C 13 56.671 0.12 . 1 . . . . 91 GLU CA . 6655 1 1048 . 1 1 90 90 GLU CB C 13 30.337 0.12 . 1 . . . . 91 GLU CB . 6655 1 1049 . 1 1 90 90 GLU CG C 13 36.264 0.12 . 1 . . . . 91 GLU CG . 6655 1 1050 . 1 1 90 90 GLU N N 15 120.244 0.12 . 1 . . . . 91 GLU N . 6655 1 1051 . 1 1 91 91 ASP H H 1 8.402 0.005 . 1 . . . . 92 ASP HN . 6655 1 1052 . 1 1 91 91 ASP HA H 1 4.708 0.005 . 1 . . . . 92 ASP HA . 6655 1 1053 . 1 1 91 91 ASP HB2 H 1 2.917 0.005 . 2 . . . . 92 ASP HB2 . 6655 1 1054 . 1 1 91 91 ASP HB3 H 1 2.718 0.005 . 2 . . . . 92 ASP HB3 . 6655 1 1055 . 1 1 91 91 ASP C C 13 177.450 0.12 . 1 . . . . 92 ASP C . 6655 1 1056 . 1 1 91 91 ASP CA C 13 54.275 0.12 . 1 . . . . 92 ASP CA . 6655 1 1057 . 1 1 91 91 ASP CB C 13 41.127 0.12 . 1 . . . . 92 ASP CB . 6655 1 1058 . 1 1 91 91 ASP N N 15 121.446 0.12 . 1 . . . . 92 ASP N . 6655 1 1059 . 1 1 92 92 ARG H H 1 8.739 0.005 . 1 . . . . 93 ARG HN . 6655 1 1060 . 1 1 92 92 ARG HA H 1 4.706 0.005 . 1 . . . . 93 ARG HA . 6655 1 1061 . 1 1 92 92 ARG HB2 H 1 1.923 0.005 . 1 . . . . 93 ARG HB2 . 6655 1 1062 . 1 1 92 92 ARG HG2 H 1 1.736 0.005 . 2 . . . . 93 ARG HG2 . 6655 1 1063 . 1 1 92 92 ARG HG3 H 1 1.658 0.005 . 2 . . . . 93 ARG HG3 . 6655 1 1064 . 1 1 92 92 ARG HD2 H 1 3.207 0.005 . 2 . . . . 93 ARG HD2 . 6655 1 1065 . 1 1 92 92 ARG HD3 H 1 3.134 0.005 . 2 . . . . 93 ARG HD3 . 6655 1 1066 . 1 1 92 92 ARG C C 13 177.749 0.12 . 1 . . . . 93 ARG C . 6655 1 1067 . 1 1 92 92 ARG CA C 13 57.591 0.12 . 1 . . . . 93 ARG CA . 6655 1 1068 . 1 1 92 92 ARG CB C 13 30.177 0.12 . 1 . . . . 93 ARG CB . 6655 1 1069 . 1 1 92 92 ARG CG C 13 27.300 0.12 . 1 . . . . 93 ARG CG . 6655 1 1070 . 1 1 92 92 ARG CD C 13 43.250 0.12 . 1 . . . . 93 ARG CD . 6655 1 1071 . 1 1 92 92 ARG N N 15 124.755 0.12 . 1 . . . . 93 ARG N . 6655 1 1072 . 1 1 93 93 SER H H 1 8.548 0.005 . 1 . . . . 94 SER HN . 6655 1 1073 . 1 1 93 93 SER HA H 1 4.391 0.005 . 1 . . . . 94 SER HA . 6655 1 1074 . 1 1 93 93 SER HB2 H 1 3.977 0.005 . 1 . . . . 94 SER HB2 . 6655 1 1075 . 1 1 93 93 SER CA C 13 60.232 0.12 . 1 . . . . 94 SER CA . 6655 1 1076 . 1 1 93 93 SER CB C 13 63.683 0.12 . 1 . . . . 94 SER CB . 6655 1 1077 . 1 1 93 93 SER N N 15 113.850 0.12 . 1 . . . . 94 SER N . 6655 1 1078 . 1 1 94 94 LYS H H 1 7.901 0.005 . 1 . . . . 95 LYS HN . 6655 1 1079 . 1 1 94 94 LYS HA H 1 4.681 0.005 . 1 . . . . 95 LYS HA . 6655 1 1080 . 1 1 94 94 LYS HB2 H 1 2.029 0.005 . 1 . . . . 95 LYS HB2 . 6655 1 1081 . 1 1 94 94 LYS HB3 H 1 1.923 0.005 . 1 . . . . 95 LYS HB3 . 6655 1 1082 . 1 1 94 94 LYS HG2 H 1 1.533 0.005 . 2 . . . . 95 LYS HG2 . 6655 1 1083 . 1 1 94 94 LYS HG3 H 1 1.451 0.005 . 2 . . . . 95 LYS HG3 . 6655 1 1084 . 1 1 94 94 LYS HD2 H 1 1.755 0.005 . 1 . . . . 95 LYS HD2 . 6655 1 1085 . 1 1 94 94 LYS HD3 H 1 1.755 0.005 . 1 . . . . 95 LYS HD3 . 6655 1 1086 . 1 1 94 94 LYS HE2 H 1 3.045 0.005 . 1 . . . . 95 LYS HE2 . 6655 1 1087 . 1 1 94 94 LYS C C 13 176.958 0.12 . 1 . . . . 95 LYS C . 6655 1 1088 . 1 1 94 94 LYS CA C 13 56.946 0.12 . 1 . . . . 95 LYS CA . 6655 1 1089 . 1 1 94 94 LYS CB C 13 34.881 0.12 . 1 . . . . 95 LYS CB . 6655 1 1090 . 1 1 94 94 LYS CG C 13 25.249 0.12 . 1 . . . . 95 LYS CG . 6655 1 1091 . 1 1 94 94 LYS CD C 13 29.223 0.12 . 1 . . . . 95 LYS CD . 6655 1 1092 . 1 1 94 94 LYS CE C 13 41.897 0.12 . 1 . . . . 95 LYS CE . 6655 1 1093 . 1 1 94 94 LYS N N 15 118.959 0.12 . 1 . . . . 95 LYS N . 6655 1 1094 . 1 1 95 95 CYS H H 1 8.133 0.005 . 1 . . . . 96 CYS HN . 6655 1 1095 . 1 1 95 95 CYS HA H 1 4.665 0.005 . 1 . . . . 96 CYS HA . 6655 1 1096 . 1 1 95 95 CYS HB2 H 1 2.779 0.005 . 2 . . . . 96 CYS HB2 . 6655 1 1097 . 1 1 95 95 CYS HB3 H 1 2.756 0.005 . 2 . . . . 96 CYS HB3 . 6655 1 1098 . 1 1 95 95 CYS C C 13 171.861 0.12 . 1 . . . . 96 CYS C . 6655 1 1099 . 1 1 95 95 CYS CA C 13 56.477 0.12 . 1 . . . . 96 CYS CA . 6655 1 1100 . 1 1 95 95 CYS CB C 13 29.695 0.12 . 1 . . . . 96 CYS CB . 6655 1 1101 . 1 1 95 95 CYS N N 15 116.953 0.12 . 1 . . . . 96 CYS N . 6655 1 1102 . 1 1 96 96 CYS H H 1 8.387 0.005 . 1 . . . . 97 CYS HN . 6655 1 1103 . 1 1 96 96 CYS HA H 1 5.644 0.005 . 1 . . . . 97 CYS HA . 6655 1 1104 . 1 1 96 96 CYS HB2 H 1 3.089 0.005 . 2 . . . . 97 CYS HB2 . 6655 1 1105 . 1 1 96 96 CYS HB3 H 1 2.753 0.005 . 2 . . . . 97 CYS HB3 . 6655 1 1106 . 1 1 96 96 CYS CA C 13 55.342 0.12 . 1 . . . . 97 CYS CA . 6655 1 1107 . 1 1 96 96 CYS CB C 13 31.718 0.12 . 1 . . . . 97 CYS CB . 6655 1 1108 . 1 1 96 96 CYS N N 15 125.020 0.12 . 1 . . . . 97 CYS N . 6655 1 1109 . 1 1 97 97 PRO HA H 1 4.659 0.005 . 1 . . . . 98 PRO HA . 6655 1 1110 . 1 1 97 97 PRO HB2 H 1 2.423 0.005 . 2 . . . . 98 PRO HB2 . 6655 1 1111 . 1 1 97 97 PRO HB3 H 1 2.166 0.005 . 2 . . . . 98 PRO HB3 . 6655 1 1112 . 1 1 97 97 PRO HG2 H 1 2.217 0.005 . 2 . . . . 98 PRO HG2 . 6655 1 1113 . 1 1 97 97 PRO HG3 H 1 2.200 0.005 . 2 . . . . 98 PRO HG3 . 6655 1 1114 . 1 1 97 97 PRO HD2 H 1 4.440 0.005 . 2 . . . . 98 PRO HD2 . 6655 1 1115 . 1 1 97 97 PRO HD3 H 1 4.188 0.005 . 2 . . . . 98 PRO HD3 . 6655 1 1116 . 1 1 97 97 PRO C C 13 177.811 0.12 . 1 . . . . 98 PRO C . 6655 1 1117 . 1 1 97 97 PRO CA C 13 63.788 0.12 . 1 . . . . 98 PRO CA . 6655 1 1118 . 1 1 97 97 PRO CB C 13 32.533 0.12 . 1 . . . . 98 PRO CB . 6655 1 1119 . 1 1 97 97 PRO CG C 13 27.004 0.12 . 1 . . . . 98 PRO CG . 6655 1 1120 . 1 1 97 97 PRO CD C 13 51.851 0.12 . 1 . . . . 98 PRO CD . 6655 1 1121 . 1 1 98 98 VAL H H 1 8.134 0.005 . 1 . . . . 99 VAL HN . 6655 1 1122 . 1 1 98 98 VAL HA H 1 3.914 0.005 . 1 . . . . 99 VAL HA . 6655 1 1123 . 1 1 98 98 VAL HB H 1 2.269 0.005 . 1 . . . . 99 VAL HB . 6655 1 1124 . 1 1 98 98 VAL HG11 H 1 1.169 0.005 . 1 . . . . 99 VAL HG11 . 6655 1 1125 . 1 1 98 98 VAL HG12 H 1 1.169 0.005 . 1 . . . . 99 VAL HG11 . 6655 1 1126 . 1 1 98 98 VAL HG13 H 1 1.169 0.005 . 1 . . . . 99 VAL HG11 . 6655 1 1127 . 1 1 98 98 VAL HG21 H 1 0.888 0.005 . 1 . . . . 99 VAL HG21 . 6655 1 1128 . 1 1 98 98 VAL HG22 H 1 0.888 0.005 . 1 . . . . 99 VAL HG21 . 6655 1 1129 . 1 1 98 98 VAL HG23 H 1 0.888 0.005 . 1 . . . . 99 VAL HG21 . 6655 1 1130 . 1 1 98 98 VAL C C 13 177.691 0.12 . 1 . . . . 99 VAL C . 6655 1 1131 . 1 1 98 98 VAL CA C 13 65.508 0.12 . 1 . . . . 99 VAL CA . 6655 1 1132 . 1 1 98 98 VAL CB C 13 33.129 0.12 . 1 . . . . 99 VAL CB . 6655 1 1133 . 1 1 98 98 VAL CG1 C 13 22.383 0.12 . 1 . . . . 99 VAL CG1 . 6655 1 1134 . 1 1 98 98 VAL CG2 C 13 21.439 0.12 . 1 . . . . 99 VAL CG2 . 6655 1 1135 . 1 1 98 98 VAL N N 15 121.746 0.12 . 1 . . . . 99 VAL N . 6655 1 1136 . 1 1 99 99 CYS H H 1 8.782 0.005 . 1 . . . . 100 CYS HN . 6655 1 1137 . 1 1 99 99 CYS HA H 1 4.171 0.005 . 1 . . . . 100 CYS HA . 6655 1 1138 . 1 1 99 99 CYS HB2 H 1 3.299 0.005 . 2 . . . . 100 CYS HB2 . 6655 1 1139 . 1 1 99 99 CYS HB3 H 1 2.615 0.005 . 2 . . . . 100 CYS HB3 . 6655 1 1140 . 1 1 99 99 CYS C C 13 175.340 0.12 . 1 . . . . 100 CYS C . 6655 1 1141 . 1 1 99 99 CYS CA C 13 60.209 0.12 . 1 . . . . 100 CYS CA . 6655 1 1142 . 1 1 99 99 CYS CB C 13 30.873 0.12 . 1 . . . . 100 CYS CB . 6655 1 1143 . 1 1 99 99 CYS N N 15 120.933 0.12 . 1 . . . . 100 CYS N . 6655 1 1144 . 1 1 100 100 ASN H H 1 8.096 0.005 . 1 . . . . 101 ASN HN . 6655 1 1145 . 1 1 100 100 ASN HA H 1 4.266 0.005 . 1 . . . . 101 ASN HA . 6655 1 1146 . 1 1 100 100 ASN HB2 H 1 3.141 0.005 . 2 . . . . 101 ASN HB2 . 6655 1 1147 . 1 1 100 100 ASN HB3 H 1 2.658 0.005 . 2 . . . . 101 ASN HB3 . 6655 1 1148 . 1 1 100 100 ASN HD21 H 1 7.490 0.005 . 2 . . . . 101 ASN HD21 . 6655 1 1149 . 1 1 100 100 ASN HD22 H 1 6.718 0.005 . 2 . . . . 101 ASN HD22 . 6655 1 1150 . 1 1 100 100 ASN C C 13 173.654 0.12 . 1 . . . . 101 ASN C . 6655 1 1151 . 1 1 100 100 ASN CA C 13 53.805 0.12 . 1 . . . . 101 ASN CA . 6655 1 1152 . 1 1 100 100 ASN CB C 13 36.661 0.12 . 1 . . . . 101 ASN CB . 6655 1 1153 . 1 1 100 100 ASN N N 15 117.162 0.12 . 1 . . . . 101 ASN N . 6655 1 1154 . 1 1 100 100 ASN ND2 N 15 111.696 0.12 . 1 . . . . 101 ASN ND2 . 6655 1 1155 . 1 1 101 101 MET H H 1 7.183 0.005 . 1 . . . . 102 MET HN . 6655 1 1156 . 1 1 101 101 MET HA H 1 4.623 0.005 . 1 . . . . 102 MET HA . 6655 1 1157 . 1 1 101 101 MET HB2 H 1 1.570 0.005 . 2 . . . . 102 MET HB2 . 6655 1 1158 . 1 1 101 101 MET HB3 H 1 1.126 0.005 . 2 . . . . 102 MET HB3 . 6655 1 1159 . 1 1 101 101 MET HG2 H 1 2.277 0.005 . 1 . . . . 102 MET HG2 . 6655 1 1160 . 1 1 101 101 MET HE1 H 1 2.240 0.005 . 1 . . . . 102 MET HE1 . 6655 1 1161 . 1 1 101 101 MET HE2 H 1 2.240 0.005 . 1 . . . . 102 MET HE1 . 6655 1 1162 . 1 1 101 101 MET HE3 H 1 2.240 0.005 . 1 . . . . 102 MET HE1 . 6655 1 1163 . 1 1 101 101 MET C C 13 173.750 0.12 . 1 . . . . 102 MET C . 6655 1 1164 . 1 1 101 101 MET CA C 13 54.295 0.12 . 1 . . . . 102 MET CA . 6655 1 1165 . 1 1 101 101 MET CB C 13 37.923 0.12 . 1 . . . . 102 MET CB . 6655 1 1166 . 1 1 101 101 MET CG C 13 31.963 0.12 . 1 . . . . 102 MET CG . 6655 1 1167 . 1 1 101 101 MET CE C 13 17.257 0.12 . 1 . . . . 102 MET CE . 6655 1 1168 . 1 1 101 101 MET N N 15 115.453 0.12 . 1 . . . . 102 MET N . 6655 1 1169 . 1 1 102 102 THR H H 1 8.018 0.005 . 1 . . . . 103 THR HN . 6655 1 1170 . 1 1 102 102 THR HA H 1 4.297 0.005 . 1 . . . . 103 THR HA . 6655 1 1171 . 1 1 102 102 THR HB H 1 4.016 0.005 . 1 . . . . 103 THR HB . 6655 1 1172 . 1 1 102 102 THR HG21 H 1 1.070 0.005 . 1 . . . . 103 THR HG21 . 6655 1 1173 . 1 1 102 102 THR HG22 H 1 1.070 0.005 . 1 . . . . 103 THR HG21 . 6655 1 1174 . 1 1 102 102 THR HG23 H 1 1.070 0.005 . 1 . . . . 103 THR HG21 . 6655 1 1175 . 1 1 102 102 THR C C 13 173.171 0.12 . 1 . . . . 103 THR C . 6655 1 1176 . 1 1 102 102 THR CA C 13 59.939 0.12 . 1 . . . . 103 THR CA . 6655 1 1177 . 1 1 102 102 THR CB C 13 70.606 0.12 . 1 . . . . 103 THR CB . 6655 1 1178 . 1 1 102 102 THR CG2 C 13 21.470 0.12 . 1 . . . . 103 THR CG2 . 6655 1 1179 . 1 1 102 102 THR N N 15 114.599 0.12 . 1 . . . . 103 THR N . 6655 1 1180 . 1 1 103 103 PHE H H 1 7.794 0.005 . 1 . . . . 104 PHE HN . 6655 1 1181 . 1 1 103 103 PHE HA H 1 5.102 0.005 . 1 . . . . 104 PHE HA . 6655 1 1182 . 1 1 103 103 PHE HB2 H 1 3.171 0.005 . 1 . . . . 104 PHE HB2 . 6655 1 1183 . 1 1 103 103 PHE HB3 H 1 2.816 0.005 . 1 . . . . 104 PHE HB3 . 6655 1 1184 . 1 1 103 103 PHE HD1 H 1 6.879 0.005 . 1 . . . . 104 PHE HD1 . 6655 1 1185 . 1 1 103 103 PHE HE1 H 1 6.796 0.005 . 1 . . . . 104 PHE HE1 . 6655 1 1186 . 1 1 103 103 PHE HZ H 1 5.739 0.005 . 1 . . . . 104 PHE HZ . 6655 1 1187 . 1 1 103 103 PHE CA C 13 55.227 0.12 . 1 . . . . 104 PHE CA . 6655 1 1188 . 1 1 103 103 PHE CB C 13 41.705 0.12 . 1 . . . . 104 PHE CB . 6655 1 1189 . 1 1 103 103 PHE CD1 C 13 131.699 0.12 . 1 . . . . 104 PHE CD1 . 6655 1 1190 . 1 1 103 103 PHE CE1 C 13 130.096 0.12 . 1 . . . . 104 PHE CE1 . 6655 1 1191 . 1 1 103 103 PHE CZ C 13 129.044 0.12 . 1 . . . . 104 PHE CZ . 6655 1 1192 . 1 1 103 103 PHE N N 15 119.945 0.12 . 1 . . . . 104 PHE N . 6655 1 1193 . 1 1 104 104 SER HA H 1 4.434 0.005 . 1 . . . . 105 SER HA . 6655 1 1194 . 1 1 104 104 SER HB2 H 1 4.097 0.005 . 2 . . . . 105 SER HB2 . 6655 1 1195 . 1 1 104 104 SER HB3 H 1 3.974 0.005 . 2 . . . . 105 SER HB3 . 6655 1 1196 . 1 1 104 104 SER C C 13 173.984 0.12 . 1 . . . . 105 SER C . 6655 1 1197 . 1 1 104 104 SER CA C 13 59.213 0.12 . 1 . . . . 105 SER CA . 6655 1 1198 . 1 1 104 104 SER CB C 13 63.335 0.12 . 1 . . . . 105 SER CB . 6655 1 1199 . 1 1 105 105 SER H H 1 7.406 0.005 . 1 . . . . 106 SER HN . 6655 1 1200 . 1 1 105 105 SER HA H 1 5.140 0.005 . 1 . . . . 106 SER HA . 6655 1 1201 . 1 1 105 105 SER HB2 H 1 4.317 0.005 . 2 . . . . 106 SER HB2 . 6655 1 1202 . 1 1 105 105 SER HB3 H 1 3.901 0.005 . 2 . . . . 106 SER HB3 . 6655 1 1203 . 1 1 105 105 SER CA C 13 55.497 0.12 . 1 . . . . 106 SER CA . 6655 1 1204 . 1 1 105 105 SER CB C 13 64.725 0.12 . 1 . . . . 106 SER CB . 6655 1 1205 . 1 1 105 105 SER N N 15 114.887 0.12 . 1 . . . . 106 SER N . 6655 1 1206 . 1 1 106 106 PRO HA H 1 4.545 0.005 . 1 . . . . 107 PRO HA . 6655 1 1207 . 1 1 106 106 PRO HB2 H 1 2.524 0.005 . 2 . . . . 107 PRO HB2 . 6655 1 1208 . 1 1 106 106 PRO HB3 H 1 2.150 0.005 . 2 . . . . 107 PRO HB3 . 6655 1 1209 . 1 1 106 106 PRO HG2 H 1 2.237 0.005 . 2 . . . . 107 PRO HG2 . 6655 1 1210 . 1 1 106 106 PRO HG3 H 1 2.083 0.005 . 2 . . . . 107 PRO HG3 . 6655 1 1211 . 1 1 106 106 PRO HD2 H 1 4.068 0.005 . 2 . . . . 107 PRO HD2 . 6655 1 1212 . 1 1 106 106 PRO HD3 H 1 3.985 0.005 . 2 . . . . 107 PRO HD3 . 6655 1 1213 . 1 1 106 106 PRO C C 13 178.410 0.12 . 1 . . . . 107 PRO C . 6655 1 1214 . 1 1 106 106 PRO CA C 13 64.581 0.12 . 1 . . . . 107 PRO CA . 6655 1 1215 . 1 1 106 106 PRO CB C 13 32.312 0.12 . 1 . . . . 107 PRO CB . 6655 1 1216 . 1 1 106 106 PRO CG C 13 27.730 0.12 . 1 . . . . 107 PRO CG . 6655 1 1217 . 1 1 106 106 PRO CD C 13 51.431 0.12 . 1 . . . . 107 PRO CD . 6655 1 1218 . 1 1 107 107 VAL H H 1 7.615 0.005 . 1 . . . . 108 VAL HN . 6655 1 1219 . 1 1 107 107 VAL HA H 1 3.892 0.005 . 1 . . . . 108 VAL HA . 6655 1 1220 . 1 1 107 107 VAL HB H 1 2.004 0.005 . 1 . . . . 108 VAL HB . 6655 1 1221 . 1 1 107 107 VAL HG11 H 1 1.059 0.005 . 1 . . . . 108 VAL HG11 . 6655 1 1222 . 1 1 107 107 VAL HG12 H 1 1.059 0.005 . 1 . . . . 108 VAL HG11 . 6655 1 1223 . 1 1 107 107 VAL HG13 H 1 1.059 0.005 . 1 . . . . 108 VAL HG11 . 6655 1 1224 . 1 1 107 107 VAL HG21 H 1 0.987 0.005 . 1 . . . . 108 VAL HG21 . 6655 1 1225 . 1 1 107 107 VAL HG22 H 1 0.987 0.005 . 1 . . . . 108 VAL HG21 . 6655 1 1226 . 1 1 107 107 VAL HG23 H 1 0.987 0.005 . 1 . . . . 108 VAL HG21 . 6655 1 1227 . 1 1 107 107 VAL C C 13 178.649 0.12 . 1 . . . . 108 VAL C . 6655 1 1228 . 1 1 107 107 VAL CA C 13 65.325 0.12 . 1 . . . . 108 VAL CA . 6655 1 1229 . 1 1 107 107 VAL CB C 13 32.168 0.12 . 1 . . . . 108 VAL CB . 6655 1 1230 . 1 1 107 107 VAL CG1 C 13 21.913 0.12 . 1 . . . . 108 VAL CG1 . 6655 1 1231 . 1 1 107 107 VAL CG2 C 13 20.856 0.12 . 1 . . . . 108 VAL CG2 . 6655 1 1232 . 1 1 107 107 VAL N N 15 117.830 0.12 . 1 . . . . 108 VAL N . 6655 1 1233 . 1 1 108 108 VAL H H 1 7.160 0.005 . 1 . . . . 109 VAL HN . 6655 1 1234 . 1 1 108 108 VAL HA H 1 3.749 0.005 . 1 . . . . 109 VAL HA . 6655 1 1235 . 1 1 108 108 VAL HB H 1 2.233 0.005 . 1 . . . . 109 VAL HB . 6655 1 1236 . 1 1 108 108 VAL HG11 H 1 1.145 0.005 . 1 . . . . 109 VAL HG11 . 6655 1 1237 . 1 1 108 108 VAL HG12 H 1 1.145 0.005 . 1 . . . . 109 VAL HG11 . 6655 1 1238 . 1 1 108 108 VAL HG13 H 1 1.145 0.005 . 1 . . . . 109 VAL HG11 . 6655 1 1239 . 1 1 108 108 VAL HG21 H 1 1.197 0.005 . 1 . . . . 109 VAL HG21 . 6655 1 1240 . 1 1 108 108 VAL HG22 H 1 1.197 0.005 . 1 . . . . 109 VAL HG21 . 6655 1 1241 . 1 1 108 108 VAL HG23 H 1 1.197 0.005 . 1 . . . . 109 VAL HG21 . 6655 1 1242 . 1 1 108 108 VAL C C 13 178.805 0.12 . 1 . . . . 109 VAL C . 6655 1 1243 . 1 1 108 108 VAL CA C 13 65.285 0.12 . 1 . . . . 109 VAL CA . 6655 1 1244 . 1 1 108 108 VAL CB C 13 32.157 0.12 . 1 . . . . 109 VAL CB . 6655 1 1245 . 1 1 108 108 VAL CG1 C 13 22.247 0.12 . 1 . . . . 109 VAL CG1 . 6655 1 1246 . 1 1 108 108 VAL CG2 C 13 21.848 0.12 . 1 . . . . 109 VAL CG2 . 6655 1 1247 . 1 1 108 108 VAL N N 15 121.691 0.12 . 1 . . . . 109 VAL N . 6655 1 1248 . 1 1 109 109 ALA H H 1 7.438 0.005 . 1 . . . . 110 ALA HN . 6655 1 1249 . 1 1 109 109 ALA HA H 1 2.264 0.005 . 1 . . . . 110 ALA HA . 6655 1 1250 . 1 1 109 109 ALA HB1 H 1 1.355 0.005 . 1 . . . . 110 ALA HB1 . 6655 1 1251 . 1 1 109 109 ALA HB2 H 1 1.355 0.005 . 1 . . . . 110 ALA HB1 . 6655 1 1252 . 1 1 109 109 ALA HB3 H 1 1.355 0.005 . 1 . . . . 110 ALA HB1 . 6655 1 1253 . 1 1 109 109 ALA C C 13 178.254 0.12 . 1 . . . . 110 ALA C . 6655 1 1254 . 1 1 109 109 ALA CA C 13 54.690 0.12 . 1 . . . . 110 ALA CA . 6655 1 1255 . 1 1 109 109 ALA CB C 13 19.416 0.12 . 1 . . . . 110 ALA CB . 6655 1 1256 . 1 1 109 109 ALA N N 15 123.239 0.12 . 1 . . . . 110 ALA N . 6655 1 1257 . 1 1 110 110 GLU H H 1 7.911 0.005 . 1 . . . . 111 GLU HN . 6655 1 1258 . 1 1 110 110 GLU HA H 1 4.079 0.005 . 1 . . . . 111 GLU HA . 6655 1 1259 . 1 1 110 110 GLU HB2 H 1 2.135 0.005 . 1 . . . . 111 GLU HB2 . 6655 1 1260 . 1 1 110 110 GLU HG2 H 1 2.429 0.005 . 2 . . . . 111 GLU HG2 . 6655 1 1261 . 1 1 110 110 GLU HG3 H 1 2.382 0.005 . 2 . . . . 111 GLU HG3 . 6655 1 1262 . 1 1 110 110 GLU C C 13 179.551 0.12 . 1 . . . . 111 GLU C . 6655 1 1263 . 1 1 110 110 GLU CA C 13 59.374 0.12 . 1 . . . . 111 GLU CA . 6655 1 1264 . 1 1 110 110 GLU CB C 13 29.267 0.12 . 1 . . . . 111 GLU CB . 6655 1 1265 . 1 1 110 110 GLU CG C 13 35.984 0.12 . 1 . . . . 111 GLU CG . 6655 1 1266 . 1 1 110 110 GLU N N 15 115.143 0.12 . 1 . . . . 111 GLU N . 6655 1 1267 . 1 1 111 111 SER H H 1 7.440 0.005 . 1 . . . . 112 SER HN . 6655 1 1268 . 1 1 111 111 SER HA H 1 4.225 0.005 . 1 . . . . 112 SER HA . 6655 1 1269 . 1 1 111 111 SER HB2 H 1 3.961 0.005 . 2 . . . . 112 SER HB2 . 6655 1 1270 . 1 1 111 111 SER HB3 H 1 3.928 0.005 . 2 . . . . 112 SER HB3 . 6655 1 1271 . 1 1 111 111 SER C C 13 176.288 0.12 . 1 . . . . 112 SER C . 6655 1 1272 . 1 1 111 111 SER CA C 13 60.609 0.12 . 1 . . . . 112 SER CA . 6655 1 1273 . 1 1 111 111 SER CB C 13 62.887 0.12 . 1 . . . . 112 SER CB . 6655 1 1274 . 1 1 111 111 SER N N 15 111.956 0.12 . 1 . . . . 112 SER N . 6655 1 1275 . 1 1 112 112 HIS H H 1 7.754 0.005 . 1 . . . . 113 HIS HN . 6655 1 1276 . 1 1 112 112 HIS HA H 1 4.070 0.005 . 1 . . . . 113 HIS HA . 6655 1 1277 . 1 1 112 112 HIS HB2 H 1 2.885 0.005 . 2 . . . . 113 HIS HB2 . 6655 1 1278 . 1 1 112 112 HIS HB3 H 1 2.724 0.005 . 2 . . . . 113 HIS HB3 . 6655 1 1279 . 1 1 112 112 HIS HD2 H 1 5.249 0.005 . 1 . . . . 113 HIS HD2 . 6655 1 1280 . 1 1 112 112 HIS HE1 H 1 8.461 0.005 . 1 . . . . 113 HIS HE1 . 6655 1 1281 . 1 1 112 112 HIS C C 13 178.621 0.12 . 1 . . . . 113 HIS C . 6655 1 1282 . 1 1 112 112 HIS CA C 13 59.915 0.12 . 1 . . . . 113 HIS CA . 6655 1 1283 . 1 1 112 112 HIS CB C 13 27.804 0.12 . 1 . . . . 113 HIS CB . 6655 1 1284 . 1 1 112 112 HIS CD2 C 13 127.032 0.12 . 1 . . . . 113 HIS CD2 . 6655 1 1285 . 1 1 112 112 HIS CE1 C 13 141.216 0.12 . 1 . . . . 113 HIS CE1 . 6655 1 1286 . 1 1 112 112 HIS N N 15 121.452 0.12 . 1 . . . . 113 HIS N . 6655 1 1287 . 1 1 112 112 HIS ND1 N 15 172.529 0.12 . 1 . . . . 113 HIS ND1 . 6655 1 1288 . 1 1 112 112 HIS NE2 N 15 214.359 0.12 . 1 . . . . 113 HIS NE2 . 6655 1 1289 . 1 1 113 113 TYR H H 1 7.362 0.005 . 1 . . . . 114 TYR HN . 6655 1 1290 . 1 1 113 113 TYR HA H 1 3.511 0.005 . 1 . . . . 114 TYR HA . 6655 1 1291 . 1 1 113 113 TYR HB2 H 1 3.061 0.005 . 1 . . . . 114 TYR HB2 . 6655 1 1292 . 1 1 113 113 TYR HB3 H 1 2.716 0.005 . 1 . . . . 114 TYR HB3 . 6655 1 1293 . 1 1 113 113 TYR HD1 H 1 6.498 0.005 . 1 . . . . 114 TYR HD1 . 6655 1 1294 . 1 1 113 113 TYR HE1 H 1 7.073 0.005 . 1 . . . . 114 TYR HE1 . 6655 1 1295 . 1 1 113 113 TYR C C 13 175.448 0.12 . 1 . . . . 114 TYR C . 6655 1 1296 . 1 1 113 113 TYR CA C 13 61.932 0.12 . 1 . . . . 114 TYR CA . 6655 1 1297 . 1 1 113 113 TYR CB C 13 37.641 0.12 . 1 . . . . 114 TYR CB . 6655 1 1298 . 1 1 113 113 TYR CD1 C 13 133.057 0.12 . 1 . . . . 114 TYR CD1 . 6655 1 1299 . 1 1 113 113 TYR CE1 C 13 118.286 0.12 . 1 . . . . 114 TYR CE1 . 6655 1 1300 . 1 1 113 113 TYR N N 15 114.946 0.12 . 1 . . . . 114 TYR N . 6655 1 1301 . 1 1 114 114 ILE H H 1 6.801 0.005 . 1 . . . . 115 ILE HN . 6655 1 1302 . 1 1 114 114 ILE HA H 1 4.605 0.005 . 1 . . . . 115 ILE HA . 6655 1 1303 . 1 1 114 114 ILE HB H 1 2.218 0.005 . 1 . . . . 115 ILE HB . 6655 1 1304 . 1 1 114 114 ILE HG12 H 1 1.353 0.005 . 2 . . . . 115 ILE HG12 . 6655 1 1305 . 1 1 114 114 ILE HG13 H 1 1.319 0.005 . 2 . . . . 115 ILE HG13 . 6655 1 1306 . 1 1 114 114 ILE HG21 H 1 0.980 0.005 . 1 . . . . 115 ILE HG21 . 6655 1 1307 . 1 1 114 114 ILE HG22 H 1 0.980 0.005 . 1 . . . . 115 ILE HG21 . 6655 1 1308 . 1 1 114 114 ILE HG23 H 1 0.980 0.005 . 1 . . . . 115 ILE HG21 . 6655 1 1309 . 1 1 114 114 ILE HD11 H 1 0.919 0.005 . 1 . . . . 115 ILE HD11 . 6655 1 1310 . 1 1 114 114 ILE HD12 H 1 0.919 0.005 . 1 . . . . 115 ILE HD11 . 6655 1 1311 . 1 1 114 114 ILE HD13 H 1 0.919 0.005 . 1 . . . . 115 ILE HD11 . 6655 1 1312 . 1 1 114 114 ILE C C 13 176.372 0.12 . 1 . . . . 115 ILE C . 6655 1 1313 . 1 1 114 114 ILE CA C 13 60.371 0.12 . 1 . . . . 115 ILE CA . 6655 1 1314 . 1 1 114 114 ILE CB C 13 38.354 0.12 . 1 . . . . 115 ILE CB . 6655 1 1315 . 1 1 114 114 ILE CG1 C 13 26.241 0.12 . 1 . . . . 115 ILE CG1 . 6655 1 1316 . 1 1 114 114 ILE CG2 C 13 18.079 0.12 . 1 . . . . 115 ILE CG2 . 6655 1 1317 . 1 1 114 114 ILE CD1 C 13 14.158 0.12 . 1 . . . . 115 ILE CD1 . 6655 1 1318 . 1 1 114 114 ILE N N 15 108.396 0.12 . 1 . . . . 115 ILE N . 6655 1 1319 . 1 1 115 115 GLY H H 1 7.557 0.005 . 1 . . . . 116 GLY HN . 6655 1 1320 . 1 1 115 115 GLY HA2 H 1 4.329 0.005 . 2 . . . . 116 GLY HA2 . 6655 1 1321 . 1 1 115 115 GLY HA3 H 1 3.943 0.005 . 2 . . . . 116 GLY HA3 . 6655 1 1322 . 1 1 115 115 GLY C C 13 173.620 0.12 . 1 . . . . 116 GLY C . 6655 1 1323 . 1 1 115 115 GLY CA C 13 44.593 0.12 . 1 . . . . 116 GLY CA . 6655 1 1324 . 1 1 115 115 GLY N N 15 110.340 0.12 . 1 . . . . 116 GLY N . 6655 1 1325 . 1 1 116 116 LYS H H 1 8.240 0.005 . 1 . . . . 117 LYS HN . 6655 1 1326 . 1 1 116 116 LYS HA H 1 3.950 0.005 . 1 . . . . 117 LYS HA . 6655 1 1327 . 1 1 116 116 LYS HB2 H 1 1.888 0.005 . 2 . . . . 117 LYS HB2 . 6655 1 1328 . 1 1 116 116 LYS HB3 H 1 1.917 0.005 . 2 . . . . 117 LYS HB3 . 6655 1 1329 . 1 1 116 116 LYS HG2 H 1 1.646 0.005 . 2 . . . . 117 LYS HG2 . 6655 1 1330 . 1 1 116 116 LYS HG3 H 1 1.541 0.005 . 2 . . . . 117 LYS HG3 . 6655 1 1331 . 1 1 116 116 LYS HD2 H 1 1.944 0.005 . 2 . . . . 117 LYS HD2 . 6655 1 1332 . 1 1 116 116 LYS HD3 H 1 1.806 0.005 . 2 . . . . 117 LYS HD3 . 6655 1 1333 . 1 1 116 116 LYS HE2 H 1 3.080 0.005 . 1 . . . . 117 LYS HE2 . 6655 1 1334 . 1 1 116 116 LYS C C 13 179.186 0.12 . 1 . . . . 117 LYS C . 6655 1 1335 . 1 1 116 116 LYS CA C 13 59.267 0.12 . 1 . . . . 117 LYS CA . 6655 1 1336 . 1 1 116 116 LYS CB C 13 32.796 0.12 . 1 . . . . 117 LYS CB . 6655 1 1337 . 1 1 116 116 LYS CG C 13 25.251 0.12 . 1 . . . . 117 LYS CG . 6655 1 1338 . 1 1 116 116 LYS CD C 13 29.389 0.12 . 1 . . . . 117 LYS CD . 6655 1 1339 . 1 1 116 116 LYS CE C 13 41.860 0.12 . 1 . . . . 117 LYS CE . 6655 1 1340 . 1 1 116 116 LYS N N 15 116.790 0.12 . 1 . . . . 117 LYS N . 6655 1 1341 . 1 1 117 117 THR H H 1 8.137 0.005 . 1 . . . . 118 THR HN . 6655 1 1342 . 1 1 117 117 THR HA H 1 3.891 0.005 . 1 . . . . 118 THR HA . 6655 1 1343 . 1 1 117 117 THR HB H 1 4.235 0.005 . 1 . . . . 118 THR HB . 6655 1 1344 . 1 1 117 117 THR HG21 H 1 1.425 0.005 . 1 . . . . 118 THR HG21 . 6655 1 1345 . 1 1 117 117 THR HG22 H 1 1.425 0.005 . 1 . . . . 118 THR HG21 . 6655 1 1346 . 1 1 117 117 THR HG23 H 1 1.425 0.005 . 1 . . . . 118 THR HG21 . 6655 1 1347 . 1 1 117 117 THR C C 13 175.070 0.12 . 1 . . . . 118 THR C . 6655 1 1348 . 1 1 117 117 THR CA C 13 66.850 0.12 . 1 . . . . 118 THR CA . 6655 1 1349 . 1 1 117 117 THR CB C 13 68.427 0.12 . 1 . . . . 118 THR CB . 6655 1 1350 . 1 1 117 117 THR CG2 C 13 22.082 0.12 . 1 . . . . 118 THR CG2 . 6655 1 1351 . 1 1 117 117 THR N N 15 117.113 0.12 . 1 . . . . 118 THR N . 6655 1 1352 . 1 1 118 118 HIS H H 1 8.336 0.005 . 1 . . . . 119 HIS HN . 6655 1 1353 . 1 1 118 118 HIS HA H 1 4.003 0.005 . 1 . . . . 119 HIS HA . 6655 1 1354 . 1 1 118 118 HIS HB2 H 1 2.826 0.005 . 1 . . . . 119 HIS HB2 . 6655 1 1355 . 1 1 118 118 HIS HB3 H 1 1.964 0.005 . 1 . . . . 119 HIS HB3 . 6655 1 1356 . 1 1 118 118 HIS HD2 H 1 7.241 0.005 . 1 . . . . 119 HIS HD2 . 6655 1 1357 . 1 1 118 118 HIS HE1 H 1 8.444 0.005 . 1 . . . . 119 HIS HE1 . 6655 1 1358 . 1 1 118 118 HIS C C 13 176.389 0.12 . 1 . . . . 119 HIS C . 6655 1 1359 . 1 1 118 118 HIS CA C 13 60.563 0.12 . 1 . . . . 119 HIS CA . 6655 1 1360 . 1 1 118 118 HIS CB C 13 30.347 0.12 . 1 . . . . 119 HIS CB . 6655 1 1361 . 1 1 118 118 HIS CD2 C 13 119.912 0.12 . 1 . . . . 119 HIS CD2 . 6655 1 1362 . 1 1 118 118 HIS CE1 C 13 140.450 0.12 . 1 . . . . 119 HIS CE1 . 6655 1 1363 . 1 1 118 118 HIS N N 15 121.255 0.12 . 1 . . . . 119 HIS N . 6655 1 1364 . 1 1 118 118 HIS ND1 N 15 217.435 0.12 . 1 . . . . 119 HIS ND1 . 6655 1 1365 . 1 1 118 118 HIS NE2 N 15 170.479 0.12 . 1 . . . . 119 HIS NE2 . 6655 1 1366 . 1 1 119 119 ILE H H 1 7.535 0.005 . 1 . . . . 120 ILE HN . 6655 1 1367 . 1 1 119 119 ILE HA H 1 3.552 0.005 . 1 . . . . 120 ILE HA . 6655 1 1368 . 1 1 119 119 ILE HB H 1 1.820 0.005 . 1 . . . . 120 ILE HB . 6655 1 1369 . 1 1 119 119 ILE HG12 H 1 1.749 0.005 . 2 . . . . 120 ILE HG12 . 6655 1 1370 . 1 1 119 119 ILE HG13 H 1 1.344 0.005 . 2 . . . . 120 ILE HG13 . 6655 1 1371 . 1 1 119 119 ILE HG21 H 1 0.955 0.005 . 1 . . . . 120 ILE HG21 . 6655 1 1372 . 1 1 119 119 ILE HG22 H 1 0.955 0.005 . 1 . . . . 120 ILE HG21 . 6655 1 1373 . 1 1 119 119 ILE HG23 H 1 0.955 0.005 . 1 . . . . 120 ILE HG21 . 6655 1 1374 . 1 1 119 119 ILE HD11 H 1 0.860 0.005 . 1 . . . . 120 ILE HD11 . 6655 1 1375 . 1 1 119 119 ILE HD12 H 1 0.860 0.005 . 1 . . . . 120 ILE HD11 . 6655 1 1376 . 1 1 119 119 ILE HD13 H 1 0.860 0.005 . 1 . . . . 120 ILE HD11 . 6655 1 1377 . 1 1 119 119 ILE C C 13 178.485 0.12 . 1 . . . . 120 ILE C . 6655 1 1378 . 1 1 119 119 ILE CA C 13 64.670 0.12 . 1 . . . . 120 ILE CA . 6655 1 1379 . 1 1 119 119 ILE CB C 13 37.852 0.12 . 1 . . . . 120 ILE CB . 6655 1 1380 . 1 1 119 119 ILE CG1 C 13 29.288 0.12 . 1 . . . . 120 ILE CG1 . 6655 1 1381 . 1 1 119 119 ILE CG2 C 13 17.225 0.12 . 1 . . . . 120 ILE CG2 . 6655 1 1382 . 1 1 119 119 ILE CD1 C 13 12.688 0.12 . 1 . . . . 120 ILE CD1 . 6655 1 1383 . 1 1 119 119 ILE N N 15 116.346 0.12 . 1 . . . . 120 ILE N . 6655 1 1384 . 1 1 120 120 LYS H H 1 8.037 0.005 . 1 . . . . 121 LYS HN . 6655 1 1385 . 1 1 120 120 LYS HA H 1 4.040 0.005 . 1 . . . . 121 LYS HA . 6655 1 1386 . 1 1 120 120 LYS HB2 H 1 1.986 0.005 . 2 . . . . 121 LYS HB2 . 6655 1 1387 . 1 1 120 120 LYS HB3 H 1 1.944 0.005 . 2 . . . . 121 LYS HB3 . 6655 1 1388 . 1 1 120 120 LYS HG2 H 1 1.562 0.005 . 2 . . . . 121 LYS HG2 . 6655 1 1389 . 1 1 120 120 LYS HG3 H 1 1.412 0.005 . 2 . . . . 121 LYS HG3 . 6655 1 1390 . 1 1 120 120 LYS HD2 H 1 1.742 0.005 . 2 . . . . 121 LYS HD2 . 6655 1 1391 . 1 1 120 120 LYS HD3 H 1 1.687 0.005 . 2 . . . . 121 LYS HD3 . 6655 1 1392 . 1 1 120 120 LYS HE2 H 1 2.999 0.005 . 1 . . . . 121 LYS HE2 . 6655 1 1393 . 1 1 120 120 LYS C C 13 178.994 0.12 . 1 . . . . 121 LYS C . 6655 1 1394 . 1 1 120 120 LYS CA C 13 59.463 0.12 . 1 . . . . 121 LYS CA . 6655 1 1395 . 1 1 120 120 LYS CB C 13 31.810 0.12 . 1 . . . . 121 LYS CB . 6655 1 1396 . 1 1 120 120 LYS CG C 13 24.821 0.12 . 1 . . . . 121 LYS CG . 6655 1 1397 . 1 1 120 120 LYS CD C 13 28.948 0.12 . 1 . . . . 121 LYS CD . 6655 1 1398 . 1 1 120 120 LYS CE C 13 41.916 0.12 . 1 . . . . 121 LYS CE . 6655 1 1399 . 1 1 120 120 LYS N N 15 120.282 0.12 . 1 . . . . 121 LYS N . 6655 1 1400 . 1 1 121 121 ASN H H 1 7.978 0.005 . 1 . . . . 122 ASN HN . 6655 1 1401 . 1 1 121 121 ASN HA H 1 4.584 0.005 . 1 . . . . 122 ASN HA . 6655 1 1402 . 1 1 121 121 ASN HB2 H 1 2.959 0.005 . 1 . . . . 122 ASN HB2 . 6655 1 1403 . 1 1 121 121 ASN HB3 H 1 2.502 0.005 . 1 . . . . 122 ASN HB3 . 6655 1 1404 . 1 1 121 121 ASN HD21 H 1 7.948 0.005 . 2 . . . . 122 ASN HD21 . 6655 1 1405 . 1 1 121 121 ASN HD22 H 1 7.263 0.005 . 2 . . . . 122 ASN HD22 . 6655 1 1406 . 1 1 121 121 ASN C C 13 176.539 0.12 . 1 . . . . 122 ASN C . 6655 1 1407 . 1 1 121 121 ASN CA C 13 55.137 0.12 . 1 . . . . 122 ASN CA . 6655 1 1408 . 1 1 121 121 ASN CB C 13 38.134 0.12 . 1 . . . . 122 ASN CB . 6655 1 1409 . 1 1 121 121 ASN N N 15 117.943 0.12 . 1 . . . . 122 ASN N . 6655 1 1410 . 1 1 121 121 ASN ND2 N 15 115.667 0.12 . 1 . . . . 122 ASN ND2 . 6655 1 1411 . 1 1 122 122 LEU H H 1 8.181 0.005 . 1 . . . . 123 LEU HN . 6655 1 1412 . 1 1 122 122 LEU HA H 1 3.960 0.005 . 1 . . . . 123 LEU HA . 6655 1 1413 . 1 1 122 122 LEU HB2 H 1 1.650 0.005 . 2 . . . . 123 LEU HB2 . 6655 1 1414 . 1 1 122 122 LEU HB3 H 1 1.592 0.005 . 2 . . . . 123 LEU HB3 . 6655 1 1415 . 1 1 122 122 LEU HG H 1 1.487 0.005 . 1 . . . . 123 LEU HG . 6655 1 1416 . 1 1 122 122 LEU HD11 H 1 0.920 0.005 . 2 . . . . 123 LEU HD11 . 6655 1 1417 . 1 1 122 122 LEU HD12 H 1 0.920 0.005 . 2 . . . . 123 LEU HD11 . 6655 1 1418 . 1 1 122 122 LEU HD13 H 1 0.920 0.005 . 2 . . . . 123 LEU HD11 . 6655 1 1419 . 1 1 122 122 LEU HD21 H 1 0.972 0.005 . 2 . . . . 123 LEU HD21 . 6655 1 1420 . 1 1 122 122 LEU HD22 H 1 0.972 0.005 . 2 . . . . 123 LEU HD21 . 6655 1 1421 . 1 1 122 122 LEU HD23 H 1 0.972 0.005 . 2 . . . . 123 LEU HD21 . 6655 1 1422 . 1 1 122 122 LEU C C 13 179.073 0.12 . 1 . . . . 123 LEU C . 6655 1 1423 . 1 1 122 122 LEU CA C 13 57.418 0.12 . 1 . . . . 123 LEU CA . 6655 1 1424 . 1 1 122 122 LEU CB C 13 42.236 0.12 . 1 . . . . 123 LEU CB . 6655 1 1425 . 1 1 122 122 LEU CG C 13 26.237 0.12 . 1 . . . . 123 LEU CG . 6655 1 1426 . 1 1 122 122 LEU CD1 C 13 24.022 0.12 . 2 . . . . 123 LEU CD1 . 6655 1 1427 . 1 1 122 122 LEU CD2 C 13 25.262 0.12 . 2 . . . . 123 LEU CD2 . 6655 1 1428 . 1 1 122 122 LEU N N 15 121.863 0.12 . 1 . . . . 123 LEU N . 6655 1 1429 . 1 1 123 123 ARG H H 1 7.751 0.005 . 1 . . . . 124 ARG HN . 6655 1 1430 . 1 1 123 123 ARG HA H 1 4.183 0.005 . 1 . . . . 124 ARG HA . 6655 1 1431 . 1 1 123 123 ARG HB2 H 1 1.974 0.005 . 1 . . . . 124 ARG HB2 . 6655 1 1432 . 1 1 123 123 ARG HG2 H 1 1.823 0.005 . 2 . . . . 124 ARG HG2 . 6655 1 1433 . 1 1 123 123 ARG HG3 H 1 1.753 0.005 . 2 . . . . 124 ARG HG3 . 6655 1 1434 . 1 1 123 123 ARG HD2 H 1 3.238 0.005 . 1 . . . . 124 ARG HD2 . 6655 1 1435 . 1 1 123 123 ARG C C 13 178.354 0.12 . 1 . . . . 124 ARG C . 6655 1 1436 . 1 1 123 123 ARG CA C 13 57.828 0.12 . 1 . . . . 124 ARG CA . 6655 1 1437 . 1 1 123 123 ARG CB C 13 30.075 0.12 . 1 . . . . 124 ARG CB . 6655 1 1438 . 1 1 123 123 ARG CG C 13 27.504 0.12 . 1 . . . . 124 ARG CG . 6655 1 1439 . 1 1 123 123 ARG CD C 13 43.201 0.12 . 1 . . . . 124 ARG CD . 6655 1 1440 . 1 1 123 123 ARG N N 15 117.997 0.12 . 1 . . . . 124 ARG N . 6655 1 1441 . 1 1 124 124 LEU H H 1 7.816 0.005 . 1 . . . . 125 LEU HN . 6655 1 1442 . 1 1 124 124 LEU HA H 1 4.253 0.005 . 1 . . . . 125 LEU HA . 6655 1 1443 . 1 1 124 124 LEU HB2 H 1 1.873 0.005 . 2 . . . . 125 LEU HB2 . 6655 1 1444 . 1 1 124 124 LEU HB3 H 1 1.662 0.005 . 2 . . . . 125 LEU HB3 . 6655 1 1445 . 1 1 124 124 LEU HG H 1 1.832 0.005 . 1 . . . . 125 LEU HG . 6655 1 1446 . 1 1 124 124 LEU HD11 H 1 0.990 0.005 . 2 . . . . 125 LEU HD11 . 6655 1 1447 . 1 1 124 124 LEU HD12 H 1 0.990 0.005 . 2 . . . . 125 LEU HD11 . 6655 1 1448 . 1 1 124 124 LEU HD13 H 1 0.990 0.005 . 2 . . . . 125 LEU HD11 . 6655 1 1449 . 1 1 124 124 LEU HD21 H 1 0.939 0.005 . 2 . . . . 125 LEU HD21 . 6655 1 1450 . 1 1 124 124 LEU HD22 H 1 0.939 0.005 . 2 . . . . 125 LEU HD21 . 6655 1 1451 . 1 1 124 124 LEU HD23 H 1 0.939 0.005 . 2 . . . . 125 LEU HD21 . 6655 1 1452 . 1 1 124 124 LEU C C 13 178.259 0.12 . 1 . . . . 125 LEU C . 6655 1 1453 . 1 1 124 124 LEU CA C 13 56.362 0.12 . 1 . . . . 125 LEU CA . 6655 1 1454 . 1 1 124 124 LEU CB C 13 42.236 0.12 . 1 . . . . 125 LEU CB . 6655 1 1455 . 1 1 124 124 LEU CG C 13 26.828 0.12 . 1 . . . . 125 LEU CG . 6655 1 1456 . 1 1 124 124 LEU CD1 C 13 25.213 0.12 . 2 . . . . 125 LEU CD1 . 6655 1 1457 . 1 1 124 124 LEU CD2 C 13 23.091 0.12 . 2 . . . . 125 LEU CD2 . 6655 1 1458 . 1 1 124 124 LEU N N 15 119.204 0.12 . 1 . . . . 125 LEU N . 6655 1 1459 . 1 1 125 125 ARG H H 1 7.696 0.005 . 1 . . . . 126 ARG HN . 6655 1 1460 . 1 1 125 125 ARG HA H 1 4.360 0.005 . 1 . . . . 126 ARG HA . 6655 1 1461 . 1 1 125 125 ARG HB2 H 1 2.045 0.005 . 2 . . . . 126 ARG HB2 . 6655 1 1462 . 1 1 125 125 ARG HB3 H 1 1.927 0.005 . 2 . . . . 126 ARG HB3 . 6655 1 1463 . 1 1 125 125 ARG HG2 H 1 1.786 0.005 . 2 . . . . 126 ARG HG2 . 6655 1 1464 . 1 1 125 125 ARG HG3 H 1 1.658 0.005 . 2 . . . . 126 ARG HG3 . 6655 1 1465 . 1 1 125 125 ARG HD2 H 1 3.267 0.005 . 1 . . . . 126 ARG HD2 . 6655 1 1466 . 1 1 125 125 ARG C C 13 176.495 0.12 . 1 . . . . 126 ARG C . 6655 1 1467 . 1 1 125 125 ARG CA C 13 56.383 0.12 . 1 . . . . 126 ARG CA . 6655 1 1468 . 1 1 125 125 ARG CB C 13 30.615 0.12 . 1 . . . . 126 ARG CB . 6655 1 1469 . 1 1 125 125 ARG CG C 13 27.097 0.12 . 1 . . . . 126 ARG CG . 6655 1 1470 . 1 1 125 125 ARG CD C 13 43.320 0.12 . 1 . . . . 126 ARG CD . 6655 1 1471 . 1 1 125 125 ARG N N 15 118.161 0.12 . 1 . . . . 126 ARG N . 6655 1 1472 . 1 1 126 126 GLU H H 1 7.974 0.005 . 1 . . . . 127 GLU HN . 6655 1 1473 . 1 1 126 126 GLU HA H 1 4.362 0.005 . 1 . . . . 127 GLU HA . 6655 1 1474 . 1 1 126 126 GLU HB2 H 1 2.177 0.005 . 2 . . . . 127 GLU HB2 . 6655 1 1475 . 1 1 126 126 GLU HB3 H 1 2.053 0.005 . 2 . . . . 127 GLU HB3 . 6655 1 1476 . 1 1 126 126 GLU HG2 H 1 2.410 0.005 . 2 . . . . 127 GLU HG2 . 6655 1 1477 . 1 1 126 126 GLU HG3 H 1 2.308 0.005 . 2 . . . . 127 GLU HG3 . 6655 1 1478 . 1 1 126 126 GLU C C 13 175.663 0.12 . 1 . . . . 127 GLU C . 6655 1 1479 . 1 1 126 126 GLU CA C 13 56.526 0.12 . 1 . . . . 127 GLU CA . 6655 1 1480 . 1 1 126 126 GLU CB C 13 30.289 0.12 . 1 . . . . 127 GLU CB . 6655 1 1481 . 1 1 126 126 GLU CG C 13 36.439 0.12 . 1 . . . . 127 GLU CG . 6655 1 1482 . 1 1 126 126 GLU N N 15 120.629 0.12 . 1 . . . . 127 GLU N . 6655 1 1483 . 1 1 127 127 GLN H H 1 7.832 0.005 . 1 . . . . 128 GLN HN . 6655 1 1484 . 1 1 127 127 GLN HA H 1 4.195 0.005 . 1 . . . . 128 GLN HA . 6655 1 1485 . 1 1 127 127 GLN HB2 H 1 2.187 0.005 . 2 . . . . 128 GLN HB2 . 6655 1 1486 . 1 1 127 127 GLN HB3 H 1 2.010 0.005 . 2 . . . . 128 GLN HB3 . 6655 1 1487 . 1 1 127 127 GLN HG2 H 1 2.379 0.005 . 1 . . . . 128 GLN HG2 . 6655 1 1488 . 1 1 127 127 GLN HE21 H 1 7.554 0.005 . 2 . . . . 128 GLN HE21 . 6655 1 1489 . 1 1 127 127 GLN HE22 H 1 6.827 0.005 . 2 . . . . 128 GLN HE22 . 6655 1 1490 . 1 1 127 127 GLN CA C 13 57.371 0.12 . 1 . . . . 128 GLN CA . 6655 1 1491 . 1 1 127 127 GLN CB C 13 30.367 0.12 . 1 . . . . 128 GLN CB . 6655 1 1492 . 1 1 127 127 GLN CG C 13 34.360 0.12 . 1 . . . . 128 GLN CG . 6655 1 1493 . 1 1 127 127 GLN N N 15 125.488 0.12 . 1 . . . . 128 GLN N . 6655 1 1494 . 1 1 127 127 GLN NE2 N 15 112.283 0.12 . 1 . . . . 128 GLN NE2 . 6655 1 stop_ save_