data_17077 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17077 _Entry.Title ; An arsenate reductase ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-07-24 _Entry.Accession_date 2010-07-24 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _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 Caifang Yu . . . 17077 2 Bin Xia . . . 17077 3 Changwen Jin . . . 17077 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17077 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 506 17077 '15N chemical shifts' 123 17077 '1H chemical shifts' 829 17077 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2011-03-24 2010-07-26 update BMRB 'update entry citation' 17077 1 . . 2010-10-22 2010-07-26 original author 'original release' 17077 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 17074 'SynArsC in PBS buffer' 17077 BMRB 17076 'SynArsC in TRIS buffer' 17077 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 17077 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 20960080 _Citation.Full_citation . _Citation.Title '(1)H, (13)C and (15)N resonance assignments of the arsenate reductase from Synechocystis sp. strain PCC 6803.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full 'Biomolecular NMR assignments' _Citation.Journal_volume 5 _Citation.Journal_issue 1 _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 85 _Citation.Page_last 87 _Citation.Year 2011 _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 Caifang Yu . . . 17077 1 2 Bin Xia . . . 17077 1 3 Changwen Jin . . . 17077 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17077 _Assembly.ID 1 _Assembly.Name SynArsC _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 14395.2 _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 SynArsC 1 $SynArsC A . yes native no no . . . 17077 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 SynArsC 1 CYS 11 11 SG . 1 . 1 CYS 83 83 SG . . 8 CYS SG . . 80 CYS SG 17077 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_SynArsC _Entity.Sf_category entity _Entity.Sf_framecode SynArsC _Entity.Entry_ID 17077 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name SynArsC _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 ; GSHMKKVMFVCKRNSSRSQM AEGFAKTLGAGKIAVTSSGL ESSRVHPTAIAMMEEVGIDI SGQTSDPIENFNADDYDVVI SLCGSGVNLPPEWVTQEIFE DWQLEDPDGQSLEVFRTVRG QVKERVENLIAKIS ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 134 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 17074 . SynArsC . . . . . 100.00 134 97.76 97.76 1.12e-90 . . . . 17077 1 2 no BMRB 17076 . SynArsC . . . . . 100.00 134 97.76 97.76 1.12e-90 . . . . 17077 1 3 no BMRB 25243 . entity . . . . . 97.76 131 98.47 98.47 5.91e-88 . . . . 17077 1 4 no PDB 2L17 . "An Arsenate Reductase In The Reduced State" . . . . . 100.00 134 97.76 97.76 1.12e-90 . . . . 17077 1 5 no PDB 2L18 . "An Arsenate Reductase In The Phosphate Binding State" . . . . . 100.00 134 97.76 97.76 1.12e-90 . . . . 17077 1 6 no PDB 2L19 . "An Arsenate Reductase In The Intermediate State" . . . . . 100.00 134 100.00 100.00 6.32e-93 . . . . 17077 1 7 no PDB 2MYN . "An Arsenate Reductase In Reduced State" . . . . . 100.00 134 97.76 97.76 1.12e-90 . . . . 17077 1 8 no PDB 2MYP . "An Arsenate Reductase In The Phosphate Binding State" . . . . . 100.00 134 97.76 97.76 1.12e-90 . . . . 17077 1 9 no PDB 2MYT . "An Arsenate Reductase In The Intermediate State" . . . . . 100.00 134 100.00 100.00 6.32e-93 . . . . 17077 1 10 no PDB 2MYU . "An Arsenate Reductase In Oxidized State" . . . . . 97.76 131 98.47 98.47 5.91e-88 . . . . 17077 1 11 no DBJ BAA18407 . "arsenate reductase [Synechocystis sp. PCC 6803]" . . . . . 97.76 131 97.71 97.71 4.70e-88 . . . . 17077 1 12 no DBJ BAK50581 . "arsenate reductase [Synechocystis sp. PCC 6803]" . . . . . 97.76 131 97.71 97.71 4.70e-88 . . . . 17077 1 13 no DBJ BAL29580 . "arsenate reductase [Synechocystis sp. PCC 6803 substr. GT-I]" . . . . . 97.76 131 97.71 97.71 4.70e-88 . . . . 17077 1 14 no DBJ BAL32749 . "arsenate reductase [Synechocystis sp. PCC 6803 substr. PCC-N]" . . . . . 97.76 131 97.71 97.71 4.70e-88 . . . . 17077 1 15 no DBJ BAL35918 . "arsenate reductase [Synechocystis sp. PCC 6803 substr. PCC-P]" . . . . . 97.76 131 97.71 97.71 4.70e-88 . . . . 17077 1 16 no GB AGF52095 . "arsenate reductase [Synechocystis sp. PCC 6803]" . . . . . 97.76 131 97.71 97.71 4.70e-88 . . . . 17077 1 17 no GB ALJ68053 . "ArsC family transcriptional regulator [Synechocystis sp. PCC 6803]" . . . . . 97.76 131 97.71 97.71 4.70e-88 . . . . 17077 1 18 no REF WP_010873028 . "arsenate reductase [Synechocystis sp. PCC 6803]" . . . . . 97.76 131 97.71 97.71 4.70e-88 . . . . 17077 1 19 no SP P74313 . "RecName: Full=Glutaredoxin arsenate reductase; AltName: Full=Low molecular weight protein-tyrosine-phosphatase; AltName: Full=P" . . . . . 97.76 131 97.71 97.71 4.70e-88 . . . . 17077 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 GLY . 17077 1 2 -1 SER . 17077 1 3 0 HIS . 17077 1 4 1 MET . 17077 1 5 2 LYS . 17077 1 6 3 LYS . 17077 1 7 4 VAL . 17077 1 8 5 MET . 17077 1 9 6 PHE . 17077 1 10 7 VAL . 17077 1 11 8 CYS . 17077 1 12 9 LYS . 17077 1 13 10 ARG . 17077 1 14 11 ASN . 17077 1 15 12 SER . 17077 1 16 13 SER . 17077 1 17 14 ARG . 17077 1 18 15 SER . 17077 1 19 16 GLN . 17077 1 20 17 MET . 17077 1 21 18 ALA . 17077 1 22 19 GLU . 17077 1 23 20 GLY . 17077 1 24 21 PHE . 17077 1 25 22 ALA . 17077 1 26 23 LYS . 17077 1 27 24 THR . 17077 1 28 25 LEU . 17077 1 29 26 GLY . 17077 1 30 27 ALA . 17077 1 31 28 GLY . 17077 1 32 29 LYS . 17077 1 33 30 ILE . 17077 1 34 31 ALA . 17077 1 35 32 VAL . 17077 1 36 33 THR . 17077 1 37 34 SER . 17077 1 38 35 SER . 17077 1 39 36 GLY . 17077 1 40 37 LEU . 17077 1 41 38 GLU . 17077 1 42 39 SER . 17077 1 43 40 SER . 17077 1 44 41 ARG . 17077 1 45 42 VAL . 17077 1 46 43 HIS . 17077 1 47 44 PRO . 17077 1 48 45 THR . 17077 1 49 46 ALA . 17077 1 50 47 ILE . 17077 1 51 48 ALA . 17077 1 52 49 MET . 17077 1 53 50 MET . 17077 1 54 51 GLU . 17077 1 55 52 GLU . 17077 1 56 53 VAL . 17077 1 57 54 GLY . 17077 1 58 55 ILE . 17077 1 59 56 ASP . 17077 1 60 57 ILE . 17077 1 61 58 SER . 17077 1 62 59 GLY . 17077 1 63 60 GLN . 17077 1 64 61 THR . 17077 1 65 62 SER . 17077 1 66 63 ASP . 17077 1 67 64 PRO . 17077 1 68 65 ILE . 17077 1 69 66 GLU . 17077 1 70 67 ASN . 17077 1 71 68 PHE . 17077 1 72 69 ASN . 17077 1 73 70 ALA . 17077 1 74 71 ASP . 17077 1 75 72 ASP . 17077 1 76 73 TYR . 17077 1 77 74 ASP . 17077 1 78 75 VAL . 17077 1 79 76 VAL . 17077 1 80 77 ILE . 17077 1 81 78 SER . 17077 1 82 79 LEU . 17077 1 83 80 CYS . 17077 1 84 81 GLY . 17077 1 85 82 SER . 17077 1 86 83 GLY . 17077 1 87 84 VAL . 17077 1 88 85 ASN . 17077 1 89 86 LEU . 17077 1 90 87 PRO . 17077 1 91 88 PRO . 17077 1 92 89 GLU . 17077 1 93 90 TRP . 17077 1 94 91 VAL . 17077 1 95 92 THR . 17077 1 96 93 GLN . 17077 1 97 94 GLU . 17077 1 98 95 ILE . 17077 1 99 96 PHE . 17077 1 100 97 GLU . 17077 1 101 98 ASP . 17077 1 102 99 TRP . 17077 1 103 100 GLN . 17077 1 104 101 LEU . 17077 1 105 102 GLU . 17077 1 106 103 ASP . 17077 1 107 104 PRO . 17077 1 108 105 ASP . 17077 1 109 106 GLY . 17077 1 110 107 GLN . 17077 1 111 108 SER . 17077 1 112 109 LEU . 17077 1 113 110 GLU . 17077 1 114 111 VAL . 17077 1 115 112 PHE . 17077 1 116 113 ARG . 17077 1 117 114 THR . 17077 1 118 115 VAL . 17077 1 119 116 ARG . 17077 1 120 117 GLY . 17077 1 121 118 GLN . 17077 1 122 119 VAL . 17077 1 123 120 LYS . 17077 1 124 121 GLU . 17077 1 125 122 ARG . 17077 1 126 123 VAL . 17077 1 127 124 GLU . 17077 1 128 125 ASN . 17077 1 129 126 LEU . 17077 1 130 127 ILE . 17077 1 131 128 ALA . 17077 1 132 129 LYS . 17077 1 133 130 ILE . 17077 1 134 131 SER . 17077 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 17077 1 . SER 2 2 17077 1 . HIS 3 3 17077 1 . MET 4 4 17077 1 . LYS 5 5 17077 1 . LYS 6 6 17077 1 . VAL 7 7 17077 1 . MET 8 8 17077 1 . PHE 9 9 17077 1 . VAL 10 10 17077 1 . CYS 11 11 17077 1 . LYS 12 12 17077 1 . ARG 13 13 17077 1 . ASN 14 14 17077 1 . SER 15 15 17077 1 . SER 16 16 17077 1 . ARG 17 17 17077 1 . SER 18 18 17077 1 . GLN 19 19 17077 1 . MET 20 20 17077 1 . ALA 21 21 17077 1 . GLU 22 22 17077 1 . GLY 23 23 17077 1 . PHE 24 24 17077 1 . ALA 25 25 17077 1 . LYS 26 26 17077 1 . THR 27 27 17077 1 . LEU 28 28 17077 1 . GLY 29 29 17077 1 . ALA 30 30 17077 1 . GLY 31 31 17077 1 . LYS 32 32 17077 1 . ILE 33 33 17077 1 . ALA 34 34 17077 1 . VAL 35 35 17077 1 . THR 36 36 17077 1 . SER 37 37 17077 1 . SER 38 38 17077 1 . GLY 39 39 17077 1 . LEU 40 40 17077 1 . GLU 41 41 17077 1 . SER 42 42 17077 1 . SER 43 43 17077 1 . ARG 44 44 17077 1 . VAL 45 45 17077 1 . HIS 46 46 17077 1 . PRO 47 47 17077 1 . THR 48 48 17077 1 . ALA 49 49 17077 1 . ILE 50 50 17077 1 . ALA 51 51 17077 1 . MET 52 52 17077 1 . MET 53 53 17077 1 . GLU 54 54 17077 1 . GLU 55 55 17077 1 . VAL 56 56 17077 1 . GLY 57 57 17077 1 . ILE 58 58 17077 1 . ASP 59 59 17077 1 . ILE 60 60 17077 1 . SER 61 61 17077 1 . GLY 62 62 17077 1 . GLN 63 63 17077 1 . THR 64 64 17077 1 . SER 65 65 17077 1 . ASP 66 66 17077 1 . PRO 67 67 17077 1 . ILE 68 68 17077 1 . GLU 69 69 17077 1 . ASN 70 70 17077 1 . PHE 71 71 17077 1 . ASN 72 72 17077 1 . ALA 73 73 17077 1 . ASP 74 74 17077 1 . ASP 75 75 17077 1 . TYR 76 76 17077 1 . ASP 77 77 17077 1 . VAL 78 78 17077 1 . VAL 79 79 17077 1 . ILE 80 80 17077 1 . SER 81 81 17077 1 . LEU 82 82 17077 1 . CYS 83 83 17077 1 . GLY 84 84 17077 1 . SER 85 85 17077 1 . GLY 86 86 17077 1 . VAL 87 87 17077 1 . ASN 88 88 17077 1 . LEU 89 89 17077 1 . PRO 90 90 17077 1 . PRO 91 91 17077 1 . GLU 92 92 17077 1 . TRP 93 93 17077 1 . VAL 94 94 17077 1 . THR 95 95 17077 1 . GLN 96 96 17077 1 . GLU 97 97 17077 1 . ILE 98 98 17077 1 . PHE 99 99 17077 1 . GLU 100 100 17077 1 . ASP 101 101 17077 1 . TRP 102 102 17077 1 . GLN 103 103 17077 1 . LEU 104 104 17077 1 . GLU 105 105 17077 1 . ASP 106 106 17077 1 . PRO 107 107 17077 1 . ASP 108 108 17077 1 . GLY 109 109 17077 1 . GLN 110 110 17077 1 . SER 111 111 17077 1 . LEU 112 112 17077 1 . GLU 113 113 17077 1 . VAL 114 114 17077 1 . PHE 115 115 17077 1 . ARG 116 116 17077 1 . THR 117 117 17077 1 . VAL 118 118 17077 1 . ARG 119 119 17077 1 . GLY 120 120 17077 1 . GLN 121 121 17077 1 . VAL 122 122 17077 1 . LYS 123 123 17077 1 . GLU 124 124 17077 1 . ARG 125 125 17077 1 . VAL 126 126 17077 1 . GLU 127 127 17077 1 . ASN 128 128 17077 1 . LEU 129 129 17077 1 . ILE 130 130 17077 1 . ALA 131 131 17077 1 . LYS 132 132 17077 1 . ILE 133 133 17077 1 . SER 134 134 17077 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 17077 _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 $SynArsC . 1148 organism . 'Synechocystis sp. PCC 6803' 'Synechocystis sp. PCC 6803' . . Bacteria . Synechocystis . . . . . . . . . . . . . . . . . . . . . . 17077 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 17077 _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 $SynArsC . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . . . . . . . . . . . . . . pET28a(+) . . . . . . 17077 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17077 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _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 SynArsC [U-15N] . . 1 $SynArsC . . 1 . . mM . . . . 17077 1 2 DSS 'natural abundance' . . . . . . 0.01 . . % . . . . 17077 1 3 'sodium azide' 'natural abundance' . . . . . . 0.01 . . % . . . . 17077 1 4 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 17077 1 5 TRIS 'natural abundance' . . . . . . 50 . . mM . . . . 17077 1 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17077 1 7 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17077 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 17077 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _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 SynArsC '[U-13C; U-15N]' . . 1 $SynArsC . . 1 . . mM . . . . 17077 2 2 DSS 'natural abundance' . . . . . . 0.01 . . % . . . . 17077 2 3 'sodium azide' 'natural abundance' . . . . . . 0.01 . . % . . . . 17077 2 4 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 17077 2 5 TRIS 'natural abundance' . . . . . . 50 . . mM . . . . 17077 2 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17077 2 7 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17077 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 17077 _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 . M 17077 1 pH 7.0 . pH 17077 1 pressure 1 . atm 17077 1 temperature 298 . K 17077 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 17077 _Software.ID 1 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 17077 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 17077 1 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 17077 _Software.ID 2 _Software.Name NMRView _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 17077 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 17077 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 17077 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'with cryo-probe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 17077 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 17077 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 600 'with cryo-probe' . . 17077 1 2 spectrometer_2 Bruker Avance . 800 . . . 17077 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 17077 _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 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17077 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17077 1 3 '3D C(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17077 1 4 '3D HNCO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17077 1 5 '3D HNCA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17077 1 6 '3D HNCACB' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17077 1 7 '3D HBHA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17077 1 8 '3D H(CCO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17077 1 9 '3D HN(CO)CA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17077 1 10 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17077 1 11 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17077 1 12 '3D CCH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17077 1 13 '3D CCH-COSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17077 1 14 '3D HCCH-COSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17077 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 17077 _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 0.00 na indirect 0.251449530 . . . . . . . . . 17077 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 17077 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 17077 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_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 17077 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.03 _Assigned_chem_shift_list.Chem_shift_13C_err 0.3 _Assigned_chem_shift_list.Chem_shift_15N_err 0.3 _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 '2D 1H-15N HSQC' . . . 17077 1 2 '3D CBCA(CO)NH' . . . 17077 1 3 '3D C(CO)NH' . . . 17077 1 4 '3D HNCO' . . . 17077 1 5 '3D HNCA' . . . 17077 1 6 '3D HNCACB' . . . 17077 1 7 '3D HBHA(CO)NH' . . . 17077 1 8 '3D H(CCO)NH' . . . 17077 1 10 '3D HCCH-TOCSY' . . . 17077 1 12 '3D CCH-TOCSY' . . . 17077 1 13 '3D CCH-COSY' . . . 17077 1 14 '3D HCCH-COSY' . . . 17077 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 4 4 MET H H 1 8.251 0.03 . 1 . . . . 1 M H . 17077 1 2 . 1 1 4 4 MET HA H 1 4.366 0.03 . 1 . . . . 1 M HA . 17077 1 3 . 1 1 4 4 MET HB2 H 1 1.762 0.03 . 2 . . . . 1 M HB1 . 17077 1 4 . 1 1 4 4 MET HB3 H 1 1.894 0.03 . 2 . . . . 1 M HB2 . 17077 1 5 . 1 1 4 4 MET HE1 H 1 1.940 0.03 . 1 . . . . 1 M HE1 . 17077 1 6 . 1 1 4 4 MET HE2 H 1 1.940 0.03 . 1 . . . . 1 M HE1 . 17077 1 7 . 1 1 4 4 MET HE3 H 1 1.940 0.03 . 1 . . . . 1 M HE1 . 17077 1 8 . 1 1 4 4 MET HG2 H 1 2.250 0.03 . 2 . . . . 1 M HG1 . 17077 1 9 . 1 1 4 4 MET HG3 H 1 2.306 0.03 . 2 . . . . 1 M HG2 . 17077 1 10 . 1 1 4 4 MET C C 13 175.930 0.3 . 1 . . . . 1 M C . 17077 1 11 . 1 1 4 4 MET CA C 13 55.886 0.3 . 1 . . . . 1 M CA . 17077 1 12 . 1 1 4 4 MET CB C 13 33.923 0.3 . 1 . . . . 1 M CB . 17077 1 13 . 1 1 4 4 MET CE C 13 16.733 0.3 . 1 . . . . 1 M CE . 17077 1 14 . 1 1 4 4 MET CG C 13 31.548 0.3 . 1 . . . . 1 M CG . 17077 1 15 . 1 1 4 4 MET N N 15 123.326 0.3 . 1 . . . . 1 M N . 17077 1 16 . 1 1 5 5 LYS H H 1 8.395 0.03 . 1 . . . . 2 K HN . 17077 1 17 . 1 1 5 5 LYS HA H 1 4.395 0.03 . 1 . . . . 2 K HA . 17077 1 18 . 1 1 5 5 LYS HB2 H 1 1.522 0.03 . 2 . . . . 2 K HB1 . 17077 1 19 . 1 1 5 5 LYS HB3 H 1 1.834 0.03 . 2 . . . . 2 K HB2 . 17077 1 20 . 1 1 5 5 LYS HD2 H 1 1.567 0.03 . 2 . . . . 2 K HD1 . 17077 1 21 . 1 1 5 5 LYS HD3 H 1 1.612 0.03 . 2 . . . . 2 K HD2 . 17077 1 22 . 1 1 5 5 LYS HE2 H 1 3.017 0.03 . 2 . . . . 2 K HE2 . 17077 1 23 . 1 1 5 5 LYS HG2 H 1 1.468 0.03 . 2 . . . . 2 K HG1 . 17077 1 24 . 1 1 5 5 LYS HG3 H 1 1.606 0.03 . 2 . . . . 2 K HG2 . 17077 1 25 . 1 1 5 5 LYS C C 13 175.367 0.3 . 1 . . . . 2 K C . 17077 1 26 . 1 1 5 5 LYS CA C 13 56.126 0.3 . 1 . . . . 2 K CA . 17077 1 27 . 1 1 5 5 LYS CB C 13 34.006 0.3 . 1 . . . . 2 K CB . 17077 1 28 . 1 1 5 5 LYS CD C 13 29.145 0.3 . 1 . . . . 2 K CD . 17077 1 29 . 1 1 5 5 LYS CE C 13 42.295 0.3 . 1 . . . . 2 K CE . 17077 1 30 . 1 1 5 5 LYS CG C 13 25.987 0.3 . 1 . . . . 2 K CG . 17077 1 31 . 1 1 5 5 LYS N N 15 125.020 0.3 . 1 . . . . 2 K N . 17077 1 32 . 1 1 6 6 LYS H H 1 9.659 0.03 . 1 . . . . 3 K HN . 17077 1 33 . 1 1 6 6 LYS HA H 1 5.058 0.03 . 1 . . . . 3 K HA . 17077 1 34 . 1 1 6 6 LYS HB2 H 1 1.658 0.03 . 2 . . . . 3 K HB2 . 17077 1 35 . 1 1 6 6 LYS HD2 H 1 1.446 0.03 . 2 . . . . 3 K HD2 . 17077 1 36 . 1 1 6 6 LYS HE2 H 1 2.699 0.03 . 2 . . . . 3 K HE2 . 17077 1 37 . 1 1 6 6 LYS HG2 H 1 1.248 0.03 . 2 . . . . 3 K HG1 . 17077 1 38 . 1 1 6 6 LYS HG3 H 1 1.498 0.03 . 2 . . . . 3 K HG2 . 17077 1 39 . 1 1 6 6 LYS C C 13 176.278 0.3 . 1 . . . . 3 K C . 17077 1 40 . 1 1 6 6 LYS CA C 13 56.032 0.3 . 1 . . . . 3 K CA . 17077 1 41 . 1 1 6 6 LYS CB C 13 34.068 0.3 . 1 . . . . 3 K CB . 17077 1 42 . 1 1 6 6 LYS CD C 13 28.755 0.3 . 1 . . . . 3 K CD . 17077 1 43 . 1 1 6 6 LYS CE C 13 41.827 0.3 . 1 . . . . 3 K CE . 17077 1 44 . 1 1 6 6 LYS CG C 13 25.389 0.3 . 1 . . . . 3 K CG . 17077 1 45 . 1 1 6 6 LYS N N 15 123.765 0.3 . 1 . . . . 3 K N . 17077 1 46 . 1 1 7 7 VAL H H 1 8.970 0.03 . 1 . . . . 4 V HN . 17077 1 47 . 1 1 7 7 VAL HA H 1 4.920 0.03 . 1 . . . . 4 V HA . 17077 1 48 . 1 1 7 7 VAL HB H 1 1.758 0.03 . 1 . . . . 4 V HB . 17077 1 49 . 1 1 7 7 VAL HG11 H 1 0.100 0.03 . 2 . . . . 4 V HG11 . 17077 1 50 . 1 1 7 7 VAL HG12 H 1 0.100 0.03 . 2 . . . . 4 V HG11 . 17077 1 51 . 1 1 7 7 VAL HG13 H 1 0.100 0.03 . 2 . . . . 4 V HG11 . 17077 1 52 . 1 1 7 7 VAL HG21 H 1 0.676 0.03 . 2 . . . . 4 V HG21 . 17077 1 53 . 1 1 7 7 VAL HG22 H 1 0.676 0.03 . 2 . . . . 4 V HG21 . 17077 1 54 . 1 1 7 7 VAL HG23 H 1 0.676 0.03 . 2 . . . . 4 V HG21 . 17077 1 55 . 1 1 7 7 VAL C C 13 173.228 0.3 . 1 . . . . 4 V C . 17077 1 56 . 1 1 7 7 VAL CA C 13 60.380 0.3 . 1 . . . . 4 V CA . 17077 1 57 . 1 1 7 7 VAL CB C 13 34.683 0.3 . 1 . . . . 4 V CB . 17077 1 58 . 1 1 7 7 VAL CG1 C 13 20.704 0.3 . 1 . . . . 4 V CG1 . 17077 1 59 . 1 1 7 7 VAL CG2 C 13 21.312 0.3 . 1 . . . . 4 V CG2 . 17077 1 60 . 1 1 7 7 VAL N N 15 126.737 0.3 . 1 . . . . 4 V N . 17077 1 61 . 1 1 8 8 MET H H 1 8.772 0.03 . 1 . . . . 5 M HN . 17077 1 62 . 1 1 8 8 MET HA H 1 5.155 0.03 . 1 . . . . 5 M HA . 17077 1 63 . 1 1 8 8 MET HB2 H 1 2.800 0.03 . 2 . . . . 5 M HB1 . 17077 1 64 . 1 1 8 8 MET HB3 H 1 2.693 0.03 . 2 . . . . 5 M HB2 . 17077 1 65 . 1 1 8 8 MET HE1 H 1 0.682 0.03 . 1 . . . . 5 M HE1 . 17077 1 66 . 1 1 8 8 MET HE2 H 1 0.682 0.03 . 1 . . . . 5 M HE1 . 17077 1 67 . 1 1 8 8 MET HE3 H 1 0.682 0.03 . 1 . . . . 5 M HE1 . 17077 1 68 . 1 1 8 8 MET HG2 H 1 1.632 0.03 . 2 . . . . 5 M HG2 . 17077 1 69 . 1 1 8 8 MET C C 13 174.264 0.3 . 1 . . . . 5 M C . 17077 1 70 . 1 1 8 8 MET CA C 13 56.600 0.3 . 1 . . . . 5 M CA . 17077 1 71 . 1 1 8 8 MET CB C 13 40.246 0.3 . 1 . . . . 5 M CB . 17077 1 72 . 1 1 8 8 MET CE C 13 16.689 0.3 . 1 . . . . 5 M CE . 17077 1 73 . 1 1 8 8 MET N N 15 126.936 0.3 . 1 . . . . 5 M N . 17077 1 74 . 1 1 9 9 PHE H H 1 9.062 0.03 . 1 . . . . 6 F HN . 17077 1 75 . 1 1 9 9 PHE HA H 1 3.730 0.03 . 1 . . . . 6 F HA . 17077 1 76 . 1 1 9 9 PHE HD1 H 1 6.820 0.03 . 3 . . . . 6 F HD1 . 17077 1 77 . 1 1 9 9 PHE HZ H 1 7.719 0.03 . 1 . . . . 6 F HZ . 17077 1 78 . 1 1 9 9 PHE CA C 13 61.761 0.3 . 1 . . . . 6 F CA . 17077 1 79 . 1 1 9 9 PHE CD1 C 13 130.706 0.3 . 3 . . . . 6 F CD1 . 17077 1 80 . 1 1 9 9 PHE N N 15 120.113 0.3 . 1 . . . . 6 F N . 17077 1 81 . 1 1 10 10 VAL H H 1 7.865 0.03 . 1 . . . . 7 V HN . 17077 1 82 . 1 1 10 10 VAL HA H 1 4.922 0.03 . 1 . . . . 7 V HA . 17077 1 83 . 1 1 10 10 VAL HB H 1 1.540 0.03 . 1 . . . . 7 V HB . 17077 1 84 . 1 1 10 10 VAL HG11 H 1 0.440 0.03 . 2 . . . . 7 V HG11 . 17077 1 85 . 1 1 10 10 VAL HG12 H 1 0.440 0.03 . 2 . . . . 7 V HG11 . 17077 1 86 . 1 1 10 10 VAL HG13 H 1 0.440 0.03 . 2 . . . . 7 V HG11 . 17077 1 87 . 1 1 10 10 VAL HG21 H 1 0.548 0.03 . 2 . . . . 7 V HG21 . 17077 1 88 . 1 1 10 10 VAL HG22 H 1 0.548 0.03 . 2 . . . . 7 V HG21 . 17077 1 89 . 1 1 10 10 VAL HG23 H 1 0.548 0.03 . 2 . . . . 7 V HG21 . 17077 1 90 . 1 1 10 10 VAL CA C 13 59.993 0.3 . 1 . . . . 7 V CA . 17077 1 91 . 1 1 10 10 VAL CB C 13 34.996 0.3 . 1 . . . . 7 V CB . 17077 1 92 . 1 1 10 10 VAL CG1 C 13 21.220 0.3 . 1 . . . . 7 V CG1 . 17077 1 93 . 1 1 10 10 VAL CG2 C 13 21.050 0.3 . 1 . . . . 7 V CG2 . 17077 1 94 . 1 1 11 11 CYS H H 1 7.089 0.03 . 1 . . . . 8 C HN . 17077 1 95 . 1 1 11 11 CYS HB2 H 1 2.704 0.03 . 2 . . . . 8 C HB1 . 17077 1 96 . 1 1 11 11 CYS HB3 H 1 3.815 0.03 . 2 . . . . 8 C HB2 . 17077 1 97 . 1 1 14 14 ASN H H 1 8.185 0.03 . 1 . . . . 11 N HN . 17077 1 98 . 1 1 14 14 ASN HA H 1 4.071 0.03 . 1 . . . . 11 N HA . 17077 1 99 . 1 1 14 14 ASN HB2 H 1 2.316 0.03 . 2 . . . . 11 N HB1 . 17077 1 100 . 1 1 14 14 ASN HB3 H 1 2.477 0.03 . 2 . . . . 11 N HB2 . 17077 1 101 . 1 1 14 14 ASN HD21 H 1 6.980 0.03 . 2 . . . . 11 N HD21 . 17077 1 102 . 1 1 14 14 ASN HD22 H 1 6.235 0.03 . 2 . . . . 11 N HD22 . 17077 1 103 . 1 1 14 14 ASN CA C 13 58.502 0.3 . 1 . . . . 11 N CA . 17077 1 104 . 1 1 14 14 ASN CB C 13 33.311 0.3 . 1 . . . . 11 N CB . 17077 1 105 . 1 1 14 14 ASN N N 15 121.964 0.3 . 1 . . . . 11 N N . 17077 1 106 . 1 1 14 14 ASN ND2 N 15 109.440 0.3 . 1 . . . . 11 N ND2 . 17077 1 107 . 1 1 17 17 ARG HA H 1 3.937 0.03 . 1 . . . . 14 R HA . 17077 1 108 . 1 1 17 17 ARG HB2 H 1 2.393 0.03 . 2 . . . . 14 R HB1 . 17077 1 109 . 1 1 17 17 ARG HB3 H 1 2.244 0.03 . 2 . . . . 14 R HB2 . 17077 1 110 . 1 1 17 17 ARG HD2 H 1 3.704 0.03 . 2 . . . . 14 R HD1 . 17077 1 111 . 1 1 17 17 ARG HD3 H 1 3.436 0.03 . 2 . . . . 14 R HD2 . 17077 1 112 . 1 1 17 17 ARG HE H 1 8.357 0.03 . 1 . . . . 14 R HE . 17077 1 113 . 1 1 17 17 ARG HG2 H 1 1.545 0.03 . 2 . . . . 14 R HG2 . 17077 1 114 . 1 1 17 17 ARG CB C 13 36.226 0.3 . 1 . . . . 14 R CB . 17077 1 115 . 1 1 17 17 ARG CG C 13 28.102 0.3 . 1 . . . . 14 R CG . 17077 1 116 . 1 1 18 18 SER H H 1 7.770 0.03 . 1 . . . . 15 S HN . 17077 1 117 . 1 1 18 18 SER HB2 H 1 3.436 0.03 . 2 . . . . 15 S HB1 . 17077 1 118 . 1 1 18 18 SER HB3 H 1 4.064 0.03 . 2 . . . . 15 S HB2 . 17077 1 119 . 1 1 19 19 GLN H H 1 8.780 0.03 . 1 . . . . 16 Q HN . 17077 1 120 . 1 1 19 19 GLN HA H 1 5.047 0.03 . 1 . . . . 16 Q HA . 17077 1 121 . 1 1 19 19 GLN HB2 H 1 1.076 0.03 . 2 . . . . 16 Q HB1 . 17077 1 122 . 1 1 19 19 GLN HB3 H 1 1.649 0.03 . 2 . . . . 16 Q HB2 . 17077 1 123 . 1 1 19 19 GLN HE21 H 1 6.957 0.03 . 2 . . . . 16 Q HE21 . 17077 1 124 . 1 1 19 19 GLN HE22 H 1 7.205 0.03 . 2 . . . . 16 Q HE22 . 17077 1 125 . 1 1 19 19 GLN HG2 H 1 1.565 0.03 . 2 . . . . 16 Q HG1 . 17077 1 126 . 1 1 19 19 GLN HG3 H 1 1.659 0.03 . 2 . . . . 16 Q HG2 . 17077 1 127 . 1 1 19 19 GLN CA C 13 52.073 0.3 . 1 . . . . 16 Q CA . 17077 1 128 . 1 1 19 19 GLN CB C 13 33.770 0.3 . 1 . . . . 16 Q CB . 17077 1 129 . 1 1 19 19 GLN CG C 13 32.000 0.3 . 1 . . . . 16 Q CG . 17077 1 130 . 1 1 20 20 MET H H 1 8.334 0.03 . 1 . . . . 17 M HN . 17077 1 131 . 1 1 20 20 MET HA H 1 3.938 0.03 . 1 . . . . 17 M HA . 17077 1 132 . 1 1 20 20 MET HB2 H 1 2.044 0.03 . 2 . . . . 17 M HB1 . 17077 1 133 . 1 1 20 20 MET HB3 H 1 2.392 0.03 . 2 . . . . 17 M HB2 . 17077 1 134 . 1 1 20 20 MET HE1 H 1 0.841 0.03 . 1 . . . . 17 M HE1 . 17077 1 135 . 1 1 20 20 MET HE2 H 1 0.841 0.03 . 1 . . . . 17 M HE1 . 17077 1 136 . 1 1 20 20 MET HE3 H 1 0.841 0.03 . 1 . . . . 17 M HE1 . 17077 1 137 . 1 1 20 20 MET HG2 H 1 2.382 0.03 . 2 . . . . 17 M HG1 . 17077 1 138 . 1 1 20 20 MET HG3 H 1 3.240 0.03 . 2 . . . . 17 M HG2 . 17077 1 139 . 1 1 20 20 MET C C 13 176.964 0.3 . 1 . . . . 17 M C . 17077 1 140 . 1 1 20 20 MET CA C 13 60.482 0.3 . 1 . . . . 17 M CA . 17077 1 141 . 1 1 20 20 MET CB C 13 34.500 0.3 . 1 . . . . 17 M CB . 17077 1 142 . 1 1 20 20 MET CE C 13 15.818 0.3 . 1 . . . . 17 M CE . 17077 1 143 . 1 1 20 20 MET CG C 13 32.483 0.3 . 1 . . . . 17 M CG . 17077 1 144 . 1 1 21 21 ALA H H 1 7.742 0.03 . 1 . . . . 18 A HN . 17077 1 145 . 1 1 21 21 ALA HA H 1 3.683 0.03 . 1 . . . . 18 A HA . 17077 1 146 . 1 1 21 21 ALA HB1 H 1 0.630 0.03 . 1 . . . . 18 A HB1 . 17077 1 147 . 1 1 21 21 ALA HB2 H 1 0.630 0.03 . 1 . . . . 18 A HB1 . 17077 1 148 . 1 1 21 21 ALA HB3 H 1 0.630 0.03 . 1 . . . . 18 A HB1 . 17077 1 149 . 1 1 21 21 ALA C C 13 178.245 0.3 . 1 . . . . 18 A C . 17077 1 150 . 1 1 21 21 ALA CA C 13 56.163 0.3 . 1 . . . . 18 A CA . 17077 1 151 . 1 1 21 21 ALA CB C 13 17.158 0.3 . 1 . . . . 18 A CB . 17077 1 152 . 1 1 21 21 ALA N N 15 121.949 0.3 . 1 . . . . 18 A N . 17077 1 153 . 1 1 22 22 GLU H H 1 8.391 0.03 . 1 . . . . 19 E HN . 17077 1 154 . 1 1 22 22 GLU HA H 1 3.654 0.03 . 1 . . . . 19 E HA . 17077 1 155 . 1 1 22 22 GLU HB2 H 1 1.968 0.03 . 2 . . . . 19 E HB2 . 17077 1 156 . 1 1 22 22 GLU HG2 H 1 2.021 0.03 . 2 . . . . 19 E HG1 . 17077 1 157 . 1 1 22 22 GLU HG3 H 1 2.075 0.03 . 2 . . . . 19 E HG2 . 17077 1 158 . 1 1 22 22 GLU C C 13 177.930 0.3 . 1 . . . . 19 E C . 17077 1 159 . 1 1 22 22 GLU CA C 13 60.194 0.3 . 1 . . . . 19 E CA . 17077 1 160 . 1 1 22 22 GLU CB C 13 29.005 0.3 . 1 . . . . 19 E CB . 17077 1 161 . 1 1 22 22 GLU CG C 13 36.082 0.3 . 1 . . . . 19 E CG . 17077 1 162 . 1 1 22 22 GLU N N 15 118.359 0.3 . 1 . . . . 19 E N . 17077 1 163 . 1 1 23 23 GLY H H 1 7.829 0.03 . 1 . . . . 20 G HN . 17077 1 164 . 1 1 23 23 GLY HA2 H 1 3.227 0.03 . 2 . . . . 20 G HA1 . 17077 1 165 . 1 1 23 23 GLY HA3 H 1 3.780 0.03 . 2 . . . . 20 G HA2 . 17077 1 166 . 1 1 23 23 GLY C C 13 176.474 0.3 . 1 . . . . 20 G C . 17077 1 167 . 1 1 23 23 GLY CA C 13 47.972 0.3 . 1 . . . . 20 G CA . 17077 1 168 . 1 1 23 23 GLY N N 15 105.346 0.3 . 1 . . . . 20 G N . 17077 1 169 . 1 1 24 24 PHE H H 1 8.472 0.03 . 1 . . . . 21 F HN . 17077 1 170 . 1 1 24 24 PHE HA H 1 4.407 0.03 . 1 . . . . 21 F HA . 17077 1 171 . 1 1 24 24 PHE HB2 H 1 2.925 0.03 . 2 . . . . 21 F HB1 . 17077 1 172 . 1 1 24 24 PHE HB3 H 1 3.034 0.03 . 2 . . . . 21 F HB2 . 17077 1 173 . 1 1 24 24 PHE HD1 H 1 7.130 0.03 . 3 . . . . 21 F HD1 . 17077 1 174 . 1 1 24 24 PHE HE1 H 1 7.453 0.03 . 3 . . . . 21 F HE1 . 17077 1 175 . 1 1 24 24 PHE HZ H 1 6.787 0.03 . 1 . . . . 21 F HZ . 17077 1 176 . 1 1 24 24 PHE C C 13 177.888 0.3 . 1 . . . . 21 F C . 17077 1 177 . 1 1 24 24 PHE CA C 13 62.680 0.3 . 1 . . . . 21 F CA . 17077 1 178 . 1 1 24 24 PHE CB C 13 39.216 0.3 . 1 . . . . 21 F CB . 17077 1 179 . 1 1 24 24 PHE CD1 C 13 131.487 0.3 . 3 . . . . 21 F CD1 . 17077 1 180 . 1 1 24 24 PHE CE1 C 13 131.974 0.3 . 3 . . . . 21 F CE1 . 17077 1 181 . 1 1 24 24 PHE CZ C 13 127.398 0.3 . 1 . . . . 21 F CZ . 17077 1 182 . 1 1 24 24 PHE N N 15 120.276 0.3 . 1 . . . . 21 F N . 17077 1 183 . 1 1 25 25 ALA H H 1 9.300 0.03 . 1 . . . . 22 A HN . 17077 1 184 . 1 1 25 25 ALA HA H 1 3.936 0.03 . 1 . . . . 22 A HA . 17077 1 185 . 1 1 25 25 ALA HB1 H 1 1.679 0.03 . 1 . . . . 22 A HB1 . 17077 1 186 . 1 1 25 25 ALA HB2 H 1 1.679 0.03 . 1 . . . . 22 A HB1 . 17077 1 187 . 1 1 25 25 ALA HB3 H 1 1.679 0.03 . 1 . . . . 22 A HB1 . 17077 1 188 . 1 1 25 25 ALA C C 13 179.687 0.3 . 1 . . . . 22 A C . 17077 1 189 . 1 1 25 25 ALA CA C 13 56.156 0.3 . 1 . . . . 22 A CA . 17077 1 190 . 1 1 25 25 ALA CB C 13 19.470 0.3 . 1 . . . . 22 A CB . 17077 1 191 . 1 1 25 25 ALA N N 15 123.221 0.3 . 1 . . . . 22 A N . 17077 1 192 . 1 1 26 26 LYS H H 1 8.784 0.03 . 1 . . . . 23 K HN . 17077 1 193 . 1 1 26 26 LYS HA H 1 4.176 0.03 . 1 . . . . 23 K HA . 17077 1 194 . 1 1 26 26 LYS HB2 H 1 1.888 0.03 . 2 . . . . 23 K HB1 . 17077 1 195 . 1 1 26 26 LYS HB3 H 1 2.033 0.03 . 2 . . . . 23 K HB2 . 17077 1 196 . 1 1 26 26 LYS HD2 H 1 1.755 0.03 . 2 . . . . 23 K HD1 . 17077 1 197 . 1 1 26 26 LYS HD3 H 1 1.710 0.03 . 2 . . . . 23 K HD2 . 17077 1 198 . 1 1 26 26 LYS HE2 H 1 2.935 0.03 . 2 . . . . 23 K HE2 . 17077 1 199 . 1 1 26 26 LYS HG2 H 1 1.570 0.03 . 2 . . . . 23 K HG1 . 17077 1 200 . 1 1 26 26 LYS HG3 H 1 1.632 0.03 . 2 . . . . 23 K HG2 . 17077 1 201 . 1 1 26 26 LYS C C 13 178.004 0.3 . 1 . . . . 23 K C . 17077 1 202 . 1 1 26 26 LYS CA C 13 59.249 0.3 . 1 . . . . 23 K CA . 17077 1 203 . 1 1 26 26 LYS CB C 13 32.503 0.3 . 1 . . . . 23 K CB . 17077 1 204 . 1 1 26 26 LYS CD C 13 29.717 0.3 . 1 . . . . 23 K CD . 17077 1 205 . 1 1 26 26 LYS CE C 13 42.209 0.3 . 1 . . . . 23 K CE . 17077 1 206 . 1 1 26 26 LYS CG C 13 26.550 0.3 . 1 . . . . 23 K CG . 17077 1 207 . 1 1 26 26 LYS N N 15 117.451 0.3 . 1 . . . . 23 K N . 17077 1 208 . 1 1 27 27 THR H H 1 7.291 0.03 . 1 . . . . 24 T HN . 17077 1 209 . 1 1 27 27 THR HA H 1 4.252 0.03 . 1 . . . . 24 T HA . 17077 1 210 . 1 1 27 27 THR HB H 1 4.208 0.03 . 1 . . . . 24 T HB . 17077 1 211 . 1 1 27 27 THR HG21 H 1 1.350 0.03 . 1 . . . . 24 T HG21 . 17077 1 212 . 1 1 27 27 THR HG22 H 1 1.350 0.03 . 1 . . . . 24 T HG21 . 17077 1 213 . 1 1 27 27 THR HG23 H 1 1.350 0.03 . 1 . . . . 24 T HG21 . 17077 1 214 . 1 1 27 27 THR C C 13 176.541 0.3 . 1 . . . . 24 T C . 17077 1 215 . 1 1 27 27 THR CA C 13 65.623 0.3 . 1 . . . . 24 T CA . 17077 1 216 . 1 1 27 27 THR CB C 13 69.608 0.3 . 1 . . . . 24 T CB . 17077 1 217 . 1 1 27 27 THR CG2 C 13 21.131 0.3 . 1 . . . . 24 T CG2 . 17077 1 218 . 1 1 27 27 THR N N 15 114.052 0.3 . 1 . . . . 24 T N . 17077 1 219 . 1 1 28 28 LEU H H 1 8.944 0.03 . 1 . . . . 25 L HN . 17077 1 220 . 1 1 28 28 LEU HA H 1 4.343 0.03 . 1 . . . . 25 L HA . 17077 1 221 . 1 1 28 28 LEU HB2 H 1 1.576 0.03 . 2 . . . . 25 L HB1 . 17077 1 222 . 1 1 28 28 LEU HB3 H 1 1.687 0.03 . 2 . . . . 25 L HB2 . 17077 1 223 . 1 1 28 28 LEU HD11 H 1 1.016 0.03 . 2 . . . . 25 L HD11 . 17077 1 224 . 1 1 28 28 LEU HD12 H 1 1.016 0.03 . 2 . . . . 25 L HD11 . 17077 1 225 . 1 1 28 28 LEU HD13 H 1 1.016 0.03 . 2 . . . . 25 L HD11 . 17077 1 226 . 1 1 28 28 LEU HD21 H 1 0.952 0.03 . 2 . . . . 25 L HD21 . 17077 1 227 . 1 1 28 28 LEU HD22 H 1 0.952 0.03 . 2 . . . . 25 L HD21 . 17077 1 228 . 1 1 28 28 LEU HD23 H 1 0.952 0.03 . 2 . . . . 25 L HD21 . 17077 1 229 . 1 1 28 28 LEU HG H 1 2.025 0.03 . 1 . . . . 25 L HG . 17077 1 230 . 1 1 28 28 LEU C C 13 178.723 0.3 . 1 . . . . 25 L C . 17077 1 231 . 1 1 28 28 LEU CA C 13 56.929 0.3 . 1 . . . . 25 L CA . 17077 1 232 . 1 1 28 28 LEU CB C 13 41.789 0.3 . 1 . . . . 25 L CB . 17077 1 233 . 1 1 28 28 LEU CD1 C 13 22.500 0.3 . 1 . . . . 25 L CD1 . 17077 1 234 . 1 1 28 28 LEU CD2 C 13 25.692 0.3 . 1 . . . . 25 L CD2 . 17077 1 235 . 1 1 28 28 LEU CG C 13 27.784 0.3 . 1 . . . . 25 L CG . 17077 1 236 . 1 1 28 28 LEU N N 15 121.423 0.3 . 1 . . . . 25 L N . 17077 1 237 . 1 1 29 29 GLY H H 1 7.733 0.03 . 1 . . . . 26 G HN . 17077 1 238 . 1 1 29 29 GLY HA2 H 1 3.706 0.03 . 2 . . . . 26 G HA1 . 17077 1 239 . 1 1 29 29 GLY HA3 H 1 4.202 0.03 . 2 . . . . 26 G HA2 . 17077 1 240 . 1 1 29 29 GLY C C 13 173.433 0.3 . 1 . . . . 26 G C . 17077 1 241 . 1 1 29 29 GLY CA C 13 45.087 0.3 . 1 . . . . 26 G CA . 17077 1 242 . 1 1 29 29 GLY N N 15 105.654 0.3 . 1 . . . . 26 G N . 17077 1 243 . 1 1 30 30 ALA H H 1 6.904 0.03 . 1 . . . . 27 A HN . 17077 1 244 . 1 1 30 30 ALA HA H 1 4.328 0.03 . 1 . . . . 27 A HA . 17077 1 245 . 1 1 30 30 ALA HB1 H 1 1.568 0.03 . 1 . . . . 27 A HB1 . 17077 1 246 . 1 1 30 30 ALA HB2 H 1 1.568 0.03 . 1 . . . . 27 A HB1 . 17077 1 247 . 1 1 30 30 ALA HB3 H 1 1.568 0.03 . 1 . . . . 27 A HB1 . 17077 1 248 . 1 1 30 30 ALA C C 13 178.801 0.3 . 1 . . . . 27 A C . 17077 1 249 . 1 1 30 30 ALA CA C 13 54.283 0.3 . 1 . . . . 27 A CA . 17077 1 250 . 1 1 30 30 ALA CB C 13 18.133 0.3 . 1 . . . . 27 A CB . 17077 1 251 . 1 1 30 30 ALA N N 15 124.869 0.3 . 1 . . . . 27 A N . 17077 1 252 . 1 1 31 31 GLY H H 1 9.246 0.03 . 1 . . . . 28 G HN . 17077 1 253 . 1 1 31 31 GLY HA2 H 1 3.770 0.03 . 2 . . . . 28 G HA1 . 17077 1 254 . 1 1 31 31 GLY HA3 H 1 4.270 0.03 . 2 . . . . 28 G HA2 . 17077 1 255 . 1 1 31 31 GLY C C 13 173.792 0.3 . 1 . . . . 28 G C . 17077 1 256 . 1 1 31 31 GLY CA C 13 45.789 0.3 . 1 . . . . 28 G CA . 17077 1 257 . 1 1 31 31 GLY N N 15 113.074 0.3 . 1 . . . . 28 G N . 17077 1 258 . 1 1 32 32 LYS H H 1 8.450 0.03 . 1 . . . . 29 K HN . 17077 1 259 . 1 1 32 32 LYS HA H 1 4.600 0.03 . 1 . . . . 29 K HA . 17077 1 260 . 1 1 32 32 LYS HB2 H 1 1.705 0.03 . 2 . . . . 29 K HB1 . 17077 1 261 . 1 1 32 32 LYS HB3 H 1 1.945 0.03 . 2 . . . . 29 K HB2 . 17077 1 262 . 1 1 32 32 LYS HD2 H 1 1.709 0.03 . 2 . . . . 29 K HD2 . 17077 1 263 . 1 1 32 32 LYS HE2 H 1 3.028 0.03 . 2 . . . . 29 K HE2 . 17077 1 264 . 1 1 32 32 LYS HG2 H 1 1.408 0.03 . 2 . . . . 29 K HG2 . 17077 1 265 . 1 1 32 32 LYS C C 13 175.898 0.3 . 1 . . . . 29 K C . 17077 1 266 . 1 1 32 32 LYS CA C 13 57.531 0.3 . 1 . . . . 29 K CA . 17077 1 267 . 1 1 32 32 LYS CB C 13 35.545 0.3 . 1 . . . . 29 K CB . 17077 1 268 . 1 1 32 32 LYS CD C 13 29.844 0.3 . 1 . . . . 29 K CD . 17077 1 269 . 1 1 32 32 LYS CE C 13 42.326 0.3 . 1 . . . . 29 K CE . 17077 1 270 . 1 1 32 32 LYS CG C 13 24.931 0.3 . 1 . . . . 29 K CG . 17077 1 271 . 1 1 32 32 LYS N N 15 119.150 0.3 . 1 . . . . 29 K N . 17077 1 272 . 1 1 33 33 ILE H H 1 7.864 0.03 . 1 . . . . 30 I HN . 17077 1 273 . 1 1 33 33 ILE HA H 1 5.086 0.03 . 1 . . . . 30 I HA . 17077 1 274 . 1 1 33 33 ILE HB H 1 1.761 0.03 . 1 . . . . 30 I HB . 17077 1 275 . 1 1 33 33 ILE HD11 H 1 0.760 0.03 . 1 . . . . 30 I HD11 . 17077 1 276 . 1 1 33 33 ILE HD12 H 1 0.760 0.03 . 1 . . . . 30 I HD11 . 17077 1 277 . 1 1 33 33 ILE HD13 H 1 0.760 0.03 . 1 . . . . 30 I HD11 . 17077 1 278 . 1 1 33 33 ILE HG12 H 1 1.052 0.03 . 1 . . . . 30 I HG11 . 17077 1 279 . 1 1 33 33 ILE HG13 H 1 1.366 0.03 . 1 . . . . 30 I HG12 . 17077 1 280 . 1 1 33 33 ILE HG21 H 1 0.852 0.03 . 1 . . . . 30 I HG21 . 17077 1 281 . 1 1 33 33 ILE HG22 H 1 0.852 0.03 . 1 . . . . 30 I HG21 . 17077 1 282 . 1 1 33 33 ILE HG23 H 1 0.852 0.03 . 1 . . . . 30 I HG21 . 17077 1 283 . 1 1 33 33 ILE C C 13 173.638 0.3 . 1 . . . . 30 I C . 17077 1 284 . 1 1 33 33 ILE CA C 13 59.042 0.3 . 1 . . . . 30 I CA . 17077 1 285 . 1 1 33 33 ILE CB C 13 42.595 0.3 . 1 . . . . 30 I CB . 17077 1 286 . 1 1 33 33 ILE CD1 C 13 13.686 0.3 . 1 . . . . 30 I CD1 . 17077 1 287 . 1 1 33 33 ILE CG1 C 13 25.520 0.3 . 1 . . . . 30 I CG1 . 17077 1 288 . 1 1 33 33 ILE CG2 C 13 19.055 0.3 . 1 . . . . 30 I CG2 . 17077 1 289 . 1 1 33 33 ILE N N 15 111.715 0.3 . 1 . . . . 30 I N . 17077 1 290 . 1 1 34 34 ALA H H 1 8.812 0.03 . 1 . . . . 31 A HN . 17077 1 291 . 1 1 34 34 ALA HA H 1 4.918 0.03 . 1 . . . . 31 A HA . 17077 1 292 . 1 1 34 34 ALA HB1 H 1 1.356 0.03 . 1 . . . . 31 A HB1 . 17077 1 293 . 1 1 34 34 ALA HB2 H 1 1.356 0.03 . 1 . . . . 31 A HB1 . 17077 1 294 . 1 1 34 34 ALA HB3 H 1 1.356 0.03 . 1 . . . . 31 A HB1 . 17077 1 295 . 1 1 34 34 ALA C C 13 177.082 0.3 . 1 . . . . 31 A C . 17077 1 296 . 1 1 34 34 ALA CA C 13 50.736 0.3 . 1 . . . . 31 A CA . 17077 1 297 . 1 1 34 34 ALA CB C 13 20.879 0.3 . 1 . . . . 31 A CB . 17077 1 298 . 1 1 34 34 ALA N N 15 127.387 0.3 . 1 . . . . 31 A N . 17077 1 299 . 1 1 35 35 VAL H H 1 8.899 0.03 . 1 . . . . 32 V HN . 17077 1 300 . 1 1 35 35 VAL HA H 1 5.069 0.03 . 1 . . . . 32 V HA . 17077 1 301 . 1 1 35 35 VAL HB H 1 1.956 0.03 . 1 . . . . 32 V HB . 17077 1 302 . 1 1 35 35 VAL HG11 H 1 0.876 0.03 . 2 . . . . 32 V HG11 . 17077 1 303 . 1 1 35 35 VAL HG12 H 1 0.876 0.03 . 2 . . . . 32 V HG11 . 17077 1 304 . 1 1 35 35 VAL HG13 H 1 0.876 0.03 . 2 . . . . 32 V HG11 . 17077 1 305 . 1 1 35 35 VAL HG21 H 1 1.025 0.03 . 2 . . . . 32 V HG21 . 17077 1 306 . 1 1 35 35 VAL HG22 H 1 1.025 0.03 . 2 . . . . 32 V HG21 . 17077 1 307 . 1 1 35 35 VAL HG23 H 1 1.025 0.03 . 2 . . . . 32 V HG21 . 17077 1 308 . 1 1 35 35 VAL C C 13 174.639 0.3 . 1 . . . . 32 V C . 17077 1 309 . 1 1 35 35 VAL CA C 13 61.529 0.3 . 1 . . . . 32 V CA . 17077 1 310 . 1 1 35 35 VAL CB C 13 35.066 0.3 . 1 . . . . 32 V CB . 17077 1 311 . 1 1 35 35 VAL CG1 C 13 22.166 0.3 . 1 . . . . 32 V CG1 . 17077 1 312 . 1 1 35 35 VAL CG2 C 13 22.514 0.3 . 1 . . . . 32 V CG2 . 17077 1 313 . 1 1 35 35 VAL N N 15 123.635 0.3 . 1 . . . . 32 V N . 17077 1 314 . 1 1 36 36 THR H H 1 8.986 0.03 . 1 . . . . 33 T HN . 17077 1 315 . 1 1 36 36 THR HA H 1 4.522 0.03 . 1 . . . . 33 T HA . 17077 1 316 . 1 1 36 36 THR HB H 1 3.669 0.03 . 1 . . . . 33 T HB . 17077 1 317 . 1 1 36 36 THR HG21 H 1 0.824 0.03 . 1 . . . . 33 T HG21 . 17077 1 318 . 1 1 36 36 THR HG22 H 1 0.824 0.03 . 1 . . . . 33 T HG21 . 17077 1 319 . 1 1 36 36 THR HG23 H 1 0.824 0.03 . 1 . . . . 33 T HG21 . 17077 1 320 . 1 1 36 36 THR C C 13 171.341 0.3 . 1 . . . . 33 T C . 17077 1 321 . 1 1 36 36 THR CA C 13 61.473 0.3 . 1 . . . . 33 T CA . 17077 1 322 . 1 1 36 36 THR CB C 13 72.206 0.3 . 1 . . . . 33 T CB . 17077 1 323 . 1 1 36 36 THR CG2 C 13 22.616 0.3 . 1 . . . . 33 T CG2 . 17077 1 324 . 1 1 36 36 THR N N 15 124.463 0.3 . 1 . . . . 33 T N . 17077 1 325 . 1 1 37 37 SER H H 1 8.568 0.03 . 1 . . . . 34 S HN . 17077 1 326 . 1 1 37 37 SER HA H 1 5.560 0.03 . 1 . . . . 34 S HA . 17077 1 327 . 1 1 37 37 SER HB2 H 1 3.688 0.03 . 2 . . . . 34 S HB1 . 17077 1 328 . 1 1 37 37 SER HB3 H 1 3.766 0.03 . 2 . . . . 34 S HB2 . 17077 1 329 . 1 1 37 37 SER C C 13 173.019 0.3 . 1 . . . . 34 S C . 17077 1 330 . 1 1 37 37 SER CA C 13 57.282 0.3 . 1 . . . . 34 S CA . 17077 1 331 . 1 1 37 37 SER CB C 13 66.100 0.3 . 1 . . . . 34 S CB . 17077 1 332 . 1 1 37 37 SER N N 15 120.301 0.3 . 1 . . . . 34 S N . 17077 1 333 . 1 1 38 38 SER H H 1 8.741 0.03 . 1 . . . . 35 S HN . 17077 1 334 . 1 1 38 38 SER HA H 1 5.050 0.03 . 1 . . . . 35 S HA . 17077 1 335 . 1 1 38 38 SER HB2 H 1 3.312 0.03 . 2 . . . . 35 S HB1 . 17077 1 336 . 1 1 38 38 SER HB3 H 1 3.510 0.03 . 2 . . . . 35 S HB2 . 17077 1 337 . 1 1 38 38 SER C C 13 173.888 0.3 . 1 . . . . 35 S C . 17077 1 338 . 1 1 38 38 SER CA C 13 57.553 0.3 . 1 . . . . 35 S CA . 17077 1 339 . 1 1 38 38 SER CB C 13 66.422 0.3 . 1 . . . . 35 S CB . 17077 1 340 . 1 1 38 38 SER N N 15 116.554 0.3 . 1 . . . . 35 S N . 17077 1 341 . 1 1 39 39 GLY H H 1 7.961 0.03 . 1 . . . . 36 G HN . 17077 1 342 . 1 1 39 39 GLY HA2 H 1 3.762 0.03 . 2 . . . . 36 G HA1 . 17077 1 343 . 1 1 39 39 GLY HA3 H 1 4.646 0.03 . 2 . . . . 36 G HA2 . 17077 1 344 . 1 1 39 39 GLY C C 13 173.356 0.3 . 1 . . . . 36 G C . 17077 1 345 . 1 1 39 39 GLY CA C 13 44.788 0.3 . 1 . . . . 36 G CA . 17077 1 346 . 1 1 39 39 GLY N N 15 107.055 0.3 . 1 . . . . 36 G N . 17077 1 347 . 1 1 40 40 LEU H H 1 8.015 0.03 . 1 . . . . 37 L HN . 17077 1 348 . 1 1 40 40 LEU HA H 1 4.420 0.03 . 1 . . . . 37 L HA . 17077 1 349 . 1 1 40 40 LEU HB2 H 1 1.820 0.03 . 2 . . . . 37 L HB1 . 17077 1 350 . 1 1 40 40 LEU HB3 H 1 1.740 0.03 . 2 . . . . 37 L HB2 . 17077 1 351 . 1 1 40 40 LEU HD11 H 1 0.840 0.03 . 2 . . . . 37 L HD11 . 17077 1 352 . 1 1 40 40 LEU HD12 H 1 0.840 0.03 . 2 . . . . 37 L HD11 . 17077 1 353 . 1 1 40 40 LEU HD13 H 1 0.840 0.03 . 2 . . . . 37 L HD11 . 17077 1 354 . 1 1 40 40 LEU HD21 H 1 0.882 0.03 . 2 . . . . 37 L HD21 . 17077 1 355 . 1 1 40 40 LEU HD22 H 1 0.882 0.03 . 2 . . . . 37 L HD21 . 17077 1 356 . 1 1 40 40 LEU HD23 H 1 0.882 0.03 . 2 . . . . 37 L HD21 . 17077 1 357 . 1 1 40 40 LEU HG H 1 1.636 0.03 . 1 . . . . 37 L HG . 17077 1 358 . 1 1 40 40 LEU C C 13 177.300 0.3 . 1 . . . . 37 L C . 17077 1 359 . 1 1 40 40 LEU CA C 13 56.737 0.3 . 1 . . . . 37 L CA . 17077 1 360 . 1 1 40 40 LEU CB C 13 41.964 0.3 . 1 . . . . 37 L CB . 17077 1 361 . 1 1 40 40 LEU CD1 C 13 23.689 0.3 . 1 . . . . 37 L CD1 . 17077 1 362 . 1 1 40 40 LEU CD2 C 13 25.302 0.3 . 1 . . . . 37 L CD2 . 17077 1 363 . 1 1 40 40 LEU CG C 13 27.806 0.3 . 1 . . . . 37 L CG . 17077 1 364 . 1 1 40 40 LEU N N 15 121.337 0.3 . 1 . . . . 37 L N . 17077 1 365 . 1 1 41 41 GLU H H 1 8.124 0.03 . 1 . . . . 38 E HN . 17077 1 366 . 1 1 41 41 GLU HA H 1 4.554 0.03 . 1 . . . . 38 E HA . 17077 1 367 . 1 1 41 41 GLU HB2 H 1 1.912 0.03 . 2 . . . . 38 E HB1 . 17077 1 368 . 1 1 41 41 GLU HB3 H 1 2.106 0.03 . 2 . . . . 38 E HB2 . 17077 1 369 . 1 1 41 41 GLU HG2 H 1 2.187 0.03 . 2 . . . . 38 E HG1 . 17077 1 370 . 1 1 41 41 GLU HG3 H 1 2.264 0.03 . 2 . . . . 38 E HG2 . 17077 1 371 . 1 1 41 41 GLU C C 13 175.767 0.3 . 1 . . . . 38 E C . 17077 1 372 . 1 1 41 41 GLU CA C 13 54.921 0.3 . 1 . . . . 38 E CA . 17077 1 373 . 1 1 41 41 GLU CB C 13 32.544 0.3 . 1 . . . . 38 E CB . 17077 1 374 . 1 1 41 41 GLU CG C 13 36.045 0.3 . 1 . . . . 38 E CG . 17077 1 375 . 1 1 41 41 GLU N N 15 117.884 0.3 . 1 . . . . 38 E N . 17077 1 376 . 1 1 42 42 SER H H 1 8.651 0.03 . 1 . . . . 39 S HN . 17077 1 377 . 1 1 42 42 SER HA H 1 4.488 0.03 . 1 . . . . 39 S HA . 17077 1 378 . 1 1 42 42 SER HB2 H 1 3.852 0.03 . 2 . . . . 39 S HB2 . 17077 1 379 . 1 1 42 42 SER C C 13 174.125 0.3 . 1 . . . . 39 S C . 17077 1 380 . 1 1 42 42 SER CA C 13 58.738 0.3 . 1 . . . . 39 S CA . 17077 1 381 . 1 1 42 42 SER CB C 13 63.936 0.3 . 1 . . . . 39 S CB . 17077 1 382 . 1 1 42 42 SER N N 15 117.915 0.3 . 1 . . . . 39 S N . 17077 1 383 . 1 1 43 43 SER H H 1 8.346 0.03 . 1 . . . . 40 S HN . 17077 1 384 . 1 1 43 43 SER HA H 1 4.639 0.03 . 1 . . . . 40 S HA . 17077 1 385 . 1 1 43 43 SER HB2 H 1 3.841 0.03 . 2 . . . . 40 S HB2 . 17077 1 386 . 1 1 43 43 SER C C 13 173.490 0.3 . 1 . . . . 40 S C . 17077 1 387 . 1 1 43 43 SER CA C 13 57.841 0.3 . 1 . . . . 40 S CA . 17077 1 388 . 1 1 43 43 SER CB C 13 65.251 0.3 . 1 . . . . 40 S CB . 17077 1 389 . 1 1 43 43 SER N N 15 117.935 0.3 . 1 . . . . 40 S N . 17077 1 390 . 1 1 44 44 ARG H H 1 8.344 0.03 . 1 . . . . 41 R HN . 17077 1 391 . 1 1 44 44 ARG HA H 1 4.531 0.03 . 1 . . . . 41 R HA . 17077 1 392 . 1 1 44 44 ARG HB2 H 1 1.852 0.03 . 2 . . . . 41 R HB1 . 17077 1 393 . 1 1 44 44 ARG HB3 H 1 1.728 0.03 . 2 . . . . 41 R HB2 . 17077 1 394 . 1 1 44 44 ARG HD2 H 1 3.179 0.03 . 2 . . . . 41 R HD2 . 17077 1 395 . 1 1 44 44 ARG HE H 1 7.741 0.03 . 1 . . . . 41 R HE . 17077 1 396 . 1 1 44 44 ARG HG2 H 1 1.628 0.03 . 2 . . . . 41 R HG1 . 17077 1 397 . 1 1 44 44 ARG HG3 H 1 1.595 0.03 . 2 . . . . 41 R HG2 . 17077 1 398 . 1 1 44 44 ARG C C 13 175.949 0.3 . 1 . . . . 41 R C . 17077 1 399 . 1 1 44 44 ARG CA C 13 55.033 0.3 . 1 . . . . 41 R CA . 17077 1 400 . 1 1 44 44 ARG CB C 13 31.800 0.3 . 1 . . . . 41 R CB . 17077 1 401 . 1 1 44 44 ARG CD C 13 43.540 0.3 . 1 . . . . 41 R CD . 17077 1 402 . 1 1 44 44 ARG CG C 13 26.914 0.3 . 1 . . . . 41 R CG . 17077 1 403 . 1 1 44 44 ARG N N 15 122.158 0.3 . 1 . . . . 41 R N . 17077 1 404 . 1 1 45 45 VAL H H 1 8.411 0.03 . 1 . . . . 42 V HN . 17077 1 405 . 1 1 45 45 VAL HA H 1 3.830 0.03 . 1 . . . . 42 V HA . 17077 1 406 . 1 1 45 45 VAL HB H 1 1.884 0.03 . 1 . . . . 42 V HB . 17077 1 407 . 1 1 45 45 VAL HG11 H 1 0.812 0.03 . 2 . . . . 42 V HG11 . 17077 1 408 . 1 1 45 45 VAL HG12 H 1 0.812 0.03 . 2 . . . . 42 V HG11 . 17077 1 409 . 1 1 45 45 VAL HG13 H 1 0.812 0.03 . 2 . . . . 42 V HG11 . 17077 1 410 . 1 1 45 45 VAL HG21 H 1 0.884 0.03 . 2 . . . . 42 V HG21 . 17077 1 411 . 1 1 45 45 VAL HG22 H 1 0.884 0.03 . 2 . . . . 42 V HG21 . 17077 1 412 . 1 1 45 45 VAL HG23 H 1 0.884 0.03 . 2 . . . . 42 V HG21 . 17077 1 413 . 1 1 45 45 VAL C C 13 174.931 0.3 . 1 . . . . 42 V C . 17077 1 414 . 1 1 45 45 VAL CA C 13 62.723 0.3 . 1 . . . . 42 V CA . 17077 1 415 . 1 1 45 45 VAL CB C 13 31.926 0.3 . 1 . . . . 42 V CB . 17077 1 416 . 1 1 45 45 VAL CG1 C 13 21.633 0.3 . 1 . . . . 42 V CG1 . 17077 1 417 . 1 1 45 45 VAL CG2 C 13 21.938 0.3 . 1 . . . . 42 V CG2 . 17077 1 418 . 1 1 45 45 VAL N N 15 124.633 0.3 . 1 . . . . 42 V N . 17077 1 419 . 1 1 46 46 HIS H H 1 9.018 0.03 . 1 . . . . 43 H HN . 17077 1 420 . 1 1 46 46 HIS HA H 1 4.592 0.03 . 1 . . . . 43 H HA . 17077 1 421 . 1 1 46 46 HIS HB2 H 1 3.180 0.03 . 2 . . . . 43 H HB1 . 17077 1 422 . 1 1 46 46 HIS HB3 H 1 3.280 0.03 . 2 . . . . 43 H HB2 . 17077 1 423 . 1 1 46 46 HIS HD2 H 1 7.177 0.03 . 1 . . . . 43 H HD2 . 17077 1 424 . 1 1 46 46 HIS HE1 H 1 8.022 0.03 . 1 . . . . 43 H HE1 . 17077 1 425 . 1 1 46 46 HIS CA C 13 56.282 0.3 . 1 . . . . 43 H CA . 17077 1 426 . 1 1 46 46 HIS CB C 13 32.548 0.3 . 1 . . . . 43 H CB . 17077 1 427 . 1 1 46 46 HIS CD2 C 13 118.145 0.3 . 1 . . . . 43 H CD2 . 17077 1 428 . 1 1 46 46 HIS CE1 C 13 138.092 0.3 . 1 . . . . 43 H CE1 . 17077 1 429 . 1 1 46 46 HIS N N 15 132.236 0.3 . 1 . . . . 43 H N . 17077 1 430 . 1 1 47 47 PRO HA H 1 4.183 0.03 . 1 . . . . 44 P HA . 17077 1 431 . 1 1 47 47 PRO HB2 H 1 1.951 0.03 . 2 . . . . 44 P HB1 . 17077 1 432 . 1 1 47 47 PRO HB3 H 1 2.346 0.03 . 2 . . . . 44 P HB2 . 17077 1 433 . 1 1 47 47 PRO HD2 H 1 2.853 0.03 . 2 . . . . 44 P HD1 . 17077 1 434 . 1 1 47 47 PRO HD3 H 1 3.732 0.03 . 2 . . . . 44 P HD2 . 17077 1 435 . 1 1 47 47 PRO HG2 H 1 1.943 0.03 . 2 . . . . 44 P HG2 . 17077 1 436 . 1 1 47 47 PRO CA C 13 65.443 0.3 . 1 . . . . 44 P CA . 17077 1 437 . 1 1 47 47 PRO CB C 13 32.308 0.3 . 1 . . . . 44 P CB . 17077 1 438 . 1 1 47 47 PRO CD C 13 50.785 0.3 . 1 . . . . 44 P CD . 17077 1 439 . 1 1 47 47 PRO CG C 13 27.701 0.3 . 1 . . . . 44 P CG . 17077 1 440 . 1 1 48 48 THR H H 1 7.888 0.03 . 1 . . . . 45 T HN . 17077 1 441 . 1 1 48 48 THR HA H 1 3.916 0.03 . 1 . . . . 45 T HA . 17077 1 442 . 1 1 48 48 THR HB H 1 3.708 0.03 . 1 . . . . 45 T HB . 17077 1 443 . 1 1 48 48 THR HG21 H 1 0.364 0.03 . 1 . . . . 45 T HG21 . 17077 1 444 . 1 1 48 48 THR HG22 H 1 0.364 0.03 . 1 . . . . 45 T HG21 . 17077 1 445 . 1 1 48 48 THR HG23 H 1 0.364 0.03 . 1 . . . . 45 T HG21 . 17077 1 446 . 1 1 48 48 THR C C 13 176.279 0.3 . 1 . . . . 45 T C . 17077 1 447 . 1 1 48 48 THR CA C 13 66.316 0.3 . 1 . . . . 45 T CA . 17077 1 448 . 1 1 48 48 THR CB C 13 67.776 0.3 . 1 . . . . 45 T CB . 17077 1 449 . 1 1 48 48 THR CG2 C 13 22.996 0.3 . 1 . . . . 45 T CG2 . 17077 1 450 . 1 1 49 49 ALA H H 1 7.629 0.03 . 1 . . . . 46 A HN . 17077 1 451 . 1 1 49 49 ALA HA H 1 3.820 0.03 . 1 . . . . 46 A HA . 17077 1 452 . 1 1 49 49 ALA HB1 H 1 1.668 0.03 . 1 . . . . 46 A HB1 . 17077 1 453 . 1 1 49 49 ALA HB2 H 1 1.668 0.03 . 1 . . . . 46 A HB1 . 17077 1 454 . 1 1 49 49 ALA HB3 H 1 1.668 0.03 . 1 . . . . 46 A HB1 . 17077 1 455 . 1 1 49 49 ALA C C 13 179.267 0.3 . 1 . . . . 46 A C . 17077 1 456 . 1 1 49 49 ALA CA C 13 56.035 0.3 . 1 . . . . 46 A CA . 17077 1 457 . 1 1 49 49 ALA CB C 13 17.535 0.3 . 1 . . . . 46 A CB . 17077 1 458 . 1 1 49 49 ALA N N 15 124.874 0.3 . 1 . . . . 46 A N . 17077 1 459 . 1 1 50 50 ILE H H 1 7.582 0.03 . 1 . . . . 47 I HN . 17077 1 460 . 1 1 50 50 ILE HA H 1 3.412 0.03 . 1 . . . . 47 I HA . 17077 1 461 . 1 1 50 50 ILE HB H 1 1.928 0.03 . 1 . . . . 47 I HB . 17077 1 462 . 1 1 50 50 ILE HD11 H 1 0.796 0.03 . 1 . . . . 47 I HD11 . 17077 1 463 . 1 1 50 50 ILE HD12 H 1 0.796 0.03 . 1 . . . . 47 I HD11 . 17077 1 464 . 1 1 50 50 ILE HD13 H 1 0.796 0.03 . 1 . . . . 47 I HD11 . 17077 1 465 . 1 1 50 50 ILE HG12 H 1 0.574 0.03 . 1 . . . . 47 I HG12 . 17077 1 466 . 1 1 50 50 ILE HG21 H 1 0.884 0.03 . 1 . . . . 47 I HG21 . 17077 1 467 . 1 1 50 50 ILE HG22 H 1 0.884 0.03 . 1 . . . . 47 I HG21 . 17077 1 468 . 1 1 50 50 ILE HG23 H 1 0.884 0.03 . 1 . . . . 47 I HG21 . 17077 1 469 . 1 1 50 50 ILE C C 13 179.554 0.3 . 1 . . . . 47 I C . 17077 1 470 . 1 1 50 50 ILE CA C 13 65.568 0.3 . 1 . . . . 47 I CA . 17077 1 471 . 1 1 50 50 ILE CB C 13 38.043 0.3 . 1 . . . . 47 I CB . 17077 1 472 . 1 1 50 50 ILE CD1 C 13 13.558 0.3 . 1 . . . . 47 I CD1 . 17077 1 473 . 1 1 50 50 ILE CG1 C 13 29.549 0.3 . 1 . . . . 47 I CG1 . 17077 1 474 . 1 1 50 50 ILE CG2 C 13 17.446 0.3 . 1 . . . . 47 I CG2 . 17077 1 475 . 1 1 50 50 ILE N N 15 117.151 0.3 . 1 . . . . 47 I N . 17077 1 476 . 1 1 51 51 ALA H H 1 7.656 0.03 . 1 . . . . 48 A HN . 17077 1 477 . 1 1 51 51 ALA HA H 1 4.240 0.03 . 1 . . . . 48 A HA . 17077 1 478 . 1 1 51 51 ALA HB1 H 1 1.471 0.03 . 1 . . . . 48 A HB1 . 17077 1 479 . 1 1 51 51 ALA HB2 H 1 1.471 0.03 . 1 . . . . 48 A HB1 . 17077 1 480 . 1 1 51 51 ALA HB3 H 1 1.471 0.03 . 1 . . . . 48 A HB1 . 17077 1 481 . 1 1 51 51 ALA C C 13 180.940 0.3 . 1 . . . . 48 A C . 17077 1 482 . 1 1 51 51 ALA CA C 13 55.238 0.3 . 1 . . . . 48 A CA . 17077 1 483 . 1 1 51 51 ALA CB C 13 18.096 0.3 . 1 . . . . 48 A CB . 17077 1 484 . 1 1 51 51 ALA N N 15 124.050 0.3 . 1 . . . . 48 A N . 17077 1 485 . 1 1 52 52 MET H H 1 8.604 0.03 . 1 . . . . 49 M HN . 17077 1 486 . 1 1 52 52 MET HA H 1 4.455 0.03 . 1 . . . . 49 M HA . 17077 1 487 . 1 1 52 52 MET HB2 H 1 1.603 0.03 . 2 . . . . 49 M HB1 . 17077 1 488 . 1 1 52 52 MET HB3 H 1 2.238 0.03 . 2 . . . . 49 M HB2 . 17077 1 489 . 1 1 52 52 MET HE1 H 1 1.939 0.03 . 1 . . . . 49 M HE1 . 17077 1 490 . 1 1 52 52 MET HE2 H 1 1.939 0.03 . 1 . . . . 49 M HE1 . 17077 1 491 . 1 1 52 52 MET HE3 H 1 1.939 0.03 . 1 . . . . 49 M HE1 . 17077 1 492 . 1 1 52 52 MET HG2 H 1 2.327 0.03 . 2 . . . . 49 M HG2 . 17077 1 493 . 1 1 52 52 MET C C 13 179.682 0.3 . 1 . . . . 49 M C . 17077 1 494 . 1 1 52 52 MET CA C 13 56.526 0.3 . 1 . . . . 49 M CA . 17077 1 495 . 1 1 52 52 MET CB C 13 34.800 0.3 . 1 . . . . 49 M CB . 17077 1 496 . 1 1 52 52 MET CE C 13 21.372 0.3 . 1 . . . . 49 M CE . 17077 1 497 . 1 1 52 52 MET CG C 13 33.725 0.3 . 1 . . . . 49 M CG . 17077 1 498 . 1 1 52 52 MET N N 15 117.273 0.3 . 1 . . . . 49 M N . 17077 1 499 . 1 1 53 53 MET H H 1 7.891 0.03 . 1 . . . . 50 M HN . 17077 1 500 . 1 1 53 53 MET HA H 1 4.876 0.03 . 1 . . . . 50 M HA . 17077 1 501 . 1 1 53 53 MET HB2 H 1 1.887 0.03 . 2 . . . . 50 M HB1 . 17077 1 502 . 1 1 53 53 MET HB3 H 1 2.074 0.03 . 2 . . . . 50 M HB2 . 17077 1 503 . 1 1 53 53 MET HE1 H 1 1.992 0.03 . 1 . . . . 50 M HE1 . 17077 1 504 . 1 1 53 53 MET HE2 H 1 1.992 0.03 . 1 . . . . 50 M HE1 . 17077 1 505 . 1 1 53 53 MET HE3 H 1 1.992 0.03 . 1 . . . . 50 M HE1 . 17077 1 506 . 1 1 53 53 MET HG2 H 1 2.586 0.03 . 2 . . . . 50 M HG1 . 17077 1 507 . 1 1 53 53 MET HG3 H 1 2.248 0.03 . 2 . . . . 50 M HG2 . 17077 1 508 . 1 1 53 53 MET C C 13 179.223 0.3 . 1 . . . . 50 M C . 17077 1 509 . 1 1 53 53 MET CA C 13 55.034 0.3 . 1 . . . . 50 M CA . 17077 1 510 . 1 1 53 53 MET CB C 13 29.219 0.3 . 1 . . . . 50 M CB . 17077 1 511 . 1 1 53 53 MET CE C 13 16.400 0.3 . 1 . . . . 50 M CE . 17077 1 512 . 1 1 53 53 MET CG C 13 33.682 0.3 . 1 . . . . 50 M CG . 17077 1 513 . 1 1 53 53 MET N N 15 119.051 0.3 . 1 . . . . 50 M N . 17077 1 514 . 1 1 54 54 GLU H H 1 8.384 0.03 . 1 . . . . 51 E HN . 17077 1 515 . 1 1 54 54 GLU HA H 1 3.929 0.03 . 1 . . . . 51 E HA . 17077 1 516 . 1 1 54 54 GLU HB2 H 1 2.204 0.03 . 2 . . . . 51 E HB1 . 17077 1 517 . 1 1 54 54 GLU HB3 H 1 2.136 0.03 . 2 . . . . 51 E HB2 . 17077 1 518 . 1 1 54 54 GLU HG2 H 1 2.207 0.03 . 2 . . . . 51 E HG2 . 17077 1 519 . 1 1 54 54 GLU C C 13 180.816 0.3 . 1 . . . . 51 E C . 17077 1 520 . 1 1 54 54 GLU CA C 13 59.926 0.3 . 1 . . . . 51 E CA . 17077 1 521 . 1 1 54 54 GLU CB C 13 29.226 0.3 . 1 . . . . 51 E CB . 17077 1 522 . 1 1 54 54 GLU CG C 13 36.609 0.3 . 1 . . . . 51 E CG . 17077 1 523 . 1 1 54 54 GLU N N 15 125.707 0.3 . 1 . . . . 51 E N . 17077 1 524 . 1 1 55 55 GLU H H 1 7.530 0.03 . 1 . . . . 52 E HN . 17077 1 525 . 1 1 55 55 GLU HA H 1 4.148 0.03 . 1 . . . . 52 E HA . 17077 1 526 . 1 1 55 55 GLU HB2 H 1 2.235 0.03 . 2 . . . . 52 E HB1 . 17077 1 527 . 1 1 55 55 GLU HB3 H 1 2.133 0.03 . 2 . . . . 52 E HB2 . 17077 1 528 . 1 1 55 55 GLU HG2 H 1 2.353 0.03 . 2 . . . . 52 E HG1 . 17077 1 529 . 1 1 55 55 GLU HG3 H 1 2.685 0.03 . 2 . . . . 52 E HG2 . 17077 1 530 . 1 1 55 55 GLU C C 13 175.150 0.3 . 1 . . . . 52 E C . 17077 1 531 . 1 1 55 55 GLU CA C 13 59.316 0.3 . 1 . . . . 52 E CA . 17077 1 532 . 1 1 55 55 GLU CB C 13 30.350 0.3 . 1 . . . . 52 E CB . 17077 1 533 . 1 1 55 55 GLU CG C 13 37.069 0.3 . 1 . . . . 52 E CG . 17077 1 534 . 1 1 55 55 GLU N N 15 117.664 0.3 . 1 . . . . 52 E N . 17077 1 535 . 1 1 56 56 VAL H H 1 7.220 0.03 . 1 . . . . 53 V HN . 17077 1 536 . 1 1 56 56 VAL HA H 1 4.742 0.03 . 1 . . . . 53 V HA . 17077 1 537 . 1 1 56 56 VAL HB H 1 2.776 0.03 . 1 . . . . 53 V HB . 17077 1 538 . 1 1 56 56 VAL HG11 H 1 1.092 0.03 . 2 . . . . 53 V HG11 . 17077 1 539 . 1 1 56 56 VAL HG12 H 1 1.092 0.03 . 2 . . . . 53 V HG11 . 17077 1 540 . 1 1 56 56 VAL HG13 H 1 1.092 0.03 . 2 . . . . 53 V HG11 . 17077 1 541 . 1 1 56 56 VAL HG21 H 1 0.998 0.03 . 2 . . . . 53 V HG21 . 17077 1 542 . 1 1 56 56 VAL HG22 H 1 0.998 0.03 . 2 . . . . 53 V HG21 . 17077 1 543 . 1 1 56 56 VAL HG23 H 1 0.998 0.03 . 2 . . . . 53 V HG21 . 17077 1 544 . 1 1 56 56 VAL C C 13 175.820 0.3 . 1 . . . . 53 V C . 17077 1 545 . 1 1 56 56 VAL CA C 13 59.669 0.3 . 1 . . . . 53 V CA . 17077 1 546 . 1 1 56 56 VAL CB C 13 30.563 0.3 . 1 . . . . 53 V CB . 17077 1 547 . 1 1 56 56 VAL CG1 C 13 19.926 0.3 . 1 . . . . 53 V CG1 . 17077 1 548 . 1 1 56 56 VAL CG2 C 13 21.282 0.3 . 1 . . . . 53 V CG2 . 17077 1 549 . 1 1 56 56 VAL N N 15 108.498 0.3 . 1 . . . . 53 V N . 17077 1 550 . 1 1 57 57 GLY H H 1 7.832 0.03 . 1 . . . . 54 G HN . 17077 1 551 . 1 1 57 57 GLY HA2 H 1 4.082 0.03 . 2 . . . . 54 G HA1 . 17077 1 552 . 1 1 57 57 GLY HA3 H 1 3.852 0.03 . 2 . . . . 54 G HA2 . 17077 1 553 . 1 1 57 57 GLY C C 13 174.483 0.3 . 1 . . . . 54 G C . 17077 1 554 . 1 1 57 57 GLY CA C 13 46.336 0.3 . 1 . . . . 54 G CA . 17077 1 555 . 1 1 57 57 GLY N N 15 109.351 0.3 . 1 . . . . 54 G N . 17077 1 556 . 1 1 58 58 ILE H H 1 7.891 0.03 . 1 . . . . 55 I HN . 17077 1 557 . 1 1 58 58 ILE HA H 1 4.120 0.03 . 1 . . . . 55 I HA . 17077 1 558 . 1 1 58 58 ILE HB H 1 1.118 0.03 . 1 . . . . 55 I HB . 17077 1 559 . 1 1 58 58 ILE HD11 H 1 0.548 0.03 . 1 . . . . 55 I HD11 . 17077 1 560 . 1 1 58 58 ILE HD12 H 1 0.548 0.03 . 1 . . . . 55 I HD11 . 17077 1 561 . 1 1 58 58 ILE HD13 H 1 0.548 0.03 . 1 . . . . 55 I HD11 . 17077 1 562 . 1 1 58 58 ILE HG12 H 1 1.441 0.03 . 1 . . . . 55 I HG11 . 17077 1 563 . 1 1 58 58 ILE HG13 H 1 0.898 0.03 . 1 . . . . 55 I HG12 . 17077 1 564 . 1 1 58 58 ILE HG21 H 1 0.416 0.03 . 1 . . . . 55 I HG21 . 17077 1 565 . 1 1 58 58 ILE HG22 H 1 0.416 0.03 . 1 . . . . 55 I HG21 . 17077 1 566 . 1 1 58 58 ILE HG23 H 1 0.416 0.03 . 1 . . . . 55 I HG21 . 17077 1 567 . 1 1 58 58 ILE C C 13 173.604 0.3 . 1 . . . . 55 I C . 17077 1 568 . 1 1 58 58 ILE CA C 13 60.648 0.3 . 1 . . . . 55 I CA . 17077 1 569 . 1 1 58 58 ILE CB C 13 41.122 0.3 . 1 . . . . 55 I CB . 17077 1 570 . 1 1 58 58 ILE CD1 C 13 14.824 0.3 . 1 . . . . 55 I CD1 . 17077 1 571 . 1 1 58 58 ILE CG1 C 13 27.304 0.3 . 1 . . . . 55 I CG1 . 17077 1 572 . 1 1 58 58 ILE CG2 C 13 16.788 0.3 . 1 . . . . 55 I CG2 . 17077 1 573 . 1 1 58 58 ILE N N 15 122.075 0.3 . 1 . . . . 55 I N . 17077 1 574 . 1 1 59 59 ASP H H 1 8.722 0.03 . 1 . . . . 56 D HN . 17077 1 575 . 1 1 59 59 ASP HA H 1 4.719 0.03 . 1 . . . . 56 D HA . 17077 1 576 . 1 1 59 59 ASP HB2 H 1 2.599 0.03 . 2 . . . . 56 D HB1 . 17077 1 577 . 1 1 59 59 ASP HB3 H 1 2.856 0.03 . 2 . . . . 56 D HB2 . 17077 1 578 . 1 1 59 59 ASP C C 13 177.442 0.3 . 1 . . . . 56 D C . 17077 1 579 . 1 1 59 59 ASP CA C 13 52.466 0.3 . 1 . . . . 56 D CA . 17077 1 580 . 1 1 59 59 ASP CB C 13 40.977 0.3 . 1 . . . . 56 D CB . 17077 1 581 . 1 1 59 59 ASP N N 15 127.622 0.3 . 1 . . . . 56 D N . 17077 1 582 . 1 1 60 60 ILE H H 1 8.420 0.03 . 1 . . . . 57 I HN . 17077 1 583 . 1 1 60 60 ILE HA H 1 4.502 0.03 . 1 . . . . 57 I HA . 17077 1 584 . 1 1 60 60 ILE HB H 1 2.215 0.03 . 1 . . . . 57 I HB . 17077 1 585 . 1 1 60 60 ILE HD11 H 1 0.559 0.03 . 1 . . . . 57 I HD11 . 17077 1 586 . 1 1 60 60 ILE HD12 H 1 0.559 0.03 . 1 . . . . 57 I HD11 . 17077 1 587 . 1 1 60 60 ILE HD13 H 1 0.559 0.03 . 1 . . . . 57 I HD11 . 17077 1 588 . 1 1 60 60 ILE HG12 H 1 1.050 0.03 . 1 . . . . 57 I HG12 . 17077 1 589 . 1 1 60 60 ILE HG21 H 1 0.702 0.03 . 1 . . . . 57 I HG21 . 17077 1 590 . 1 1 60 60 ILE HG22 H 1 0.702 0.03 . 1 . . . . 57 I HG21 . 17077 1 591 . 1 1 60 60 ILE HG23 H 1 0.702 0.03 . 1 . . . . 57 I HG21 . 17077 1 592 . 1 1 60 60 ILE C C 13 176.789 0.3 . 1 . . . . 57 I C . 17077 1 593 . 1 1 60 60 ILE CA C 13 61.022 0.3 . 1 . . . . 57 I CA . 17077 1 594 . 1 1 60 60 ILE CB C 13 37.970 0.3 . 1 . . . . 57 I CB . 17077 1 595 . 1 1 60 60 ILE CD1 C 13 14.880 0.3 . 1 . . . . 57 I CD1 . 17077 1 596 . 1 1 60 60 ILE CG1 C 13 27.615 0.3 . 1 . . . . 57 I CG1 . 17077 1 597 . 1 1 60 60 ILE CG2 C 13 18.806 0.3 . 1 . . . . 57 I CG2 . 17077 1 598 . 1 1 60 60 ILE N N 15 120.152 0.3 . 1 . . . . 57 I N . 17077 1 599 . 1 1 61 61 SER H H 1 8.663 0.03 . 1 . . . . 58 S HN . 17077 1 600 . 1 1 61 61 SER HA H 1 3.807 0.03 . 1 . . . . 58 S HA . 17077 1 601 . 1 1 61 61 SER HB2 H 1 3.918 0.03 . 2 . . . . 58 S HB2 . 17077 1 602 . 1 1 61 61 SER C C 13 175.229 0.3 . 1 . . . . 58 S C . 17077 1 603 . 1 1 61 61 SER CA C 13 61.782 0.3 . 1 . . . . 58 S CA . 17077 1 604 . 1 1 61 61 SER CB C 13 63.109 0.3 . 1 . . . . 58 S CB . 17077 1 605 . 1 1 61 61 SER N N 15 119.483 0.3 . 1 . . . . 58 S N . 17077 1 606 . 1 1 62 62 GLY H H 1 8.613 0.03 . 1 . . . . 59 G HN . 17077 1 607 . 1 1 62 62 GLY HA2 H 1 3.652 0.03 . 2 . . . . 59 G HA1 . 17077 1 608 . 1 1 62 62 GLY HA3 H 1 4.228 0.03 . 2 . . . . 59 G HA2 . 17077 1 609 . 1 1 62 62 GLY C C 13 174.728 0.3 . 1 . . . . 59 G C . 17077 1 610 . 1 1 62 62 GLY CA C 13 44.947 0.3 . 1 . . . . 59 G CA . 17077 1 611 . 1 1 62 62 GLY N N 15 111.402 0.3 . 1 . . . . 59 G N . 17077 1 612 . 1 1 63 63 GLN H H 1 7.277 0.03 . 1 . . . . 60 Q HN . 17077 1 613 . 1 1 63 63 GLN HA H 1 4.296 0.03 . 1 . . . . 60 Q HA . 17077 1 614 . 1 1 63 63 GLN HB2 H 1 2.025 0.03 . 2 . . . . 60 Q HB1 . 17077 1 615 . 1 1 63 63 GLN HB3 H 1 2.229 0.03 . 2 . . . . 60 Q HB2 . 17077 1 616 . 1 1 63 63 GLN HE21 H 1 7.337 0.03 . 2 . . . . 60 Q HE21 . 17077 1 617 . 1 1 63 63 GLN HE22 H 1 6.724 0.03 . 2 . . . . 60 Q HE22 . 17077 1 618 . 1 1 63 63 GLN HG2 H 1 2.316 0.03 . 2 . . . . 60 Q HG2 . 17077 1 619 . 1 1 63 63 GLN C C 13 176.086 0.3 . 1 . . . . 60 Q C . 17077 1 620 . 1 1 63 63 GLN CA C 13 56.554 0.3 . 1 . . . . 60 Q CA . 17077 1 621 . 1 1 63 63 GLN CB C 13 29.311 0.3 . 1 . . . . 60 Q CB . 17077 1 622 . 1 1 63 63 GLN CG C 13 35.500 0.3 . 1 . . . . 60 Q CG . 17077 1 623 . 1 1 63 63 GLN N N 15 120.631 0.3 . 1 . . . . 60 Q N . 17077 1 624 . 1 1 63 63 GLN NE2 N 15 108.727 0.3 . 1 . . . . 60 Q NE2 . 17077 1 625 . 1 1 64 64 THR H H 1 8.495 0.03 . 1 . . . . 61 T HN . 17077 1 626 . 1 1 64 64 THR HA H 1 4.504 0.03 . 1 . . . . 61 T HA . 17077 1 627 . 1 1 64 64 THR HB H 1 4.262 0.03 . 1 . . . . 61 T HB . 17077 1 628 . 1 1 64 64 THR HG21 H 1 1.181 0.03 . 1 . . . . 61 T HG21 . 17077 1 629 . 1 1 64 64 THR HG22 H 1 1.181 0.03 . 1 . . . . 61 T HG21 . 17077 1 630 . 1 1 64 64 THR HG23 H 1 1.181 0.03 . 1 . . . . 61 T HG21 . 17077 1 631 . 1 1 64 64 THR C C 13 173.846 0.3 . 1 . . . . 61 T C . 17077 1 632 . 1 1 64 64 THR CA C 13 60.723 0.3 . 1 . . . . 61 T CA . 17077 1 633 . 1 1 64 64 THR CB C 13 71.336 0.3 . 1 . . . . 61 T CB . 17077 1 634 . 1 1 64 64 THR CG2 C 13 21.813 0.3 . 1 . . . . 61 T CG2 . 17077 1 635 . 1 1 64 64 THR N N 15 114.687 0.3 . 1 . . . . 61 T N . 17077 1 636 . 1 1 65 65 SER H H 1 8.467 0.03 . 1 . . . . 62 S HN . 17077 1 637 . 1 1 65 65 SER HA H 1 4.720 0.03 . 1 . . . . 62 S HA . 17077 1 638 . 1 1 65 65 SER HB2 H 1 3.554 0.03 . 2 . . . . 62 S HB1 . 17077 1 639 . 1 1 65 65 SER HB3 H 1 3.726 0.03 . 2 . . . . 62 S HB2 . 17077 1 640 . 1 1 65 65 SER C C 13 173.572 0.3 . 1 . . . . 62 S C . 17077 1 641 . 1 1 65 65 SER CA C 13 56.885 0.3 . 1 . . . . 62 S CA . 17077 1 642 . 1 1 65 65 SER CB C 13 64.138 0.3 . 1 . . . . 62 S CB . 17077 1 643 . 1 1 65 65 SER N N 15 118.062 0.3 . 1 . . . . 62 S N . 17077 1 644 . 1 1 66 66 ASP H H 1 8.722 0.03 . 1 . . . . 63 D HN . 17077 1 645 . 1 1 66 66 ASP HA H 1 5.134 0.03 . 1 . . . . 63 D HA . 17077 1 646 . 1 1 66 66 ASP HB2 H 1 2.706 0.03 . 2 . . . . 63 D HB2 . 17077 1 647 . 1 1 66 66 ASP CA C 13 52.989 0.3 . 1 . . . . 63 D CA . 17077 1 648 . 1 1 66 66 ASP CB C 13 42.449 0.3 . 1 . . . . 63 D CB . 17077 1 649 . 1 1 66 66 ASP N N 15 126.978 0.3 . 1 . . . . 63 D N . 17077 1 650 . 1 1 67 67 PRO HA H 1 4.743 0.03 . 1 . . . . 64 P HA . 17077 1 651 . 1 1 67 67 PRO HB2 H 1 2.097 0.03 . 2 . . . . 64 P HB1 . 17077 1 652 . 1 1 67 67 PRO HB3 H 1 2.294 0.03 . 2 . . . . 64 P HB2 . 17077 1 653 . 1 1 67 67 PRO HD2 H 1 3.827 0.03 . 2 . . . . 64 P HD1 . 17077 1 654 . 1 1 67 67 PRO HD3 H 1 3.604 0.03 . 2 . . . . 64 P HD2 . 17077 1 655 . 1 1 67 67 PRO HG2 H 1 2.036 0.03 . 2 . . . . 64 P HG1 . 17077 1 656 . 1 1 67 67 PRO HG3 H 1 1.983 0.03 . 2 . . . . 64 P HG2 . 17077 1 657 . 1 1 67 67 PRO CA C 13 62.472 0.3 . 1 . . . . 64 P CA . 17077 1 658 . 1 1 67 67 PRO CB C 13 32.444 0.3 . 1 . . . . 64 P CB . 17077 1 659 . 1 1 67 67 PRO CD C 13 50.777 0.3 . 1 . . . . 64 P CD . 17077 1 660 . 1 1 67 67 PRO CG C 13 27.800 0.3 . 1 . . . . 64 P CG . 17077 1 661 . 1 1 68 68 ILE H H 1 8.339 0.03 . 1 . . . . 65 I HN . 17077 1 662 . 1 1 68 68 ILE HA H 1 4.057 0.03 . 1 . . . . 65 I HA . 17077 1 663 . 1 1 68 68 ILE HB H 1 1.352 0.03 . 1 . . . . 65 I HB . 17077 1 664 . 1 1 68 68 ILE HD11 H 1 -0.427 0.03 . 1 . . . . 65 I HD11 . 17077 1 665 . 1 1 68 68 ILE HD12 H 1 -0.427 0.03 . 1 . . . . 65 I HD11 . 17077 1 666 . 1 1 68 68 ILE HD13 H 1 -0.427 0.03 . 1 . . . . 65 I HD11 . 17077 1 667 . 1 1 68 68 ILE HG12 H 1 0.678 0.03 . 1 . . . . 65 I HG11 . 17077 1 668 . 1 1 68 68 ILE HG13 H 1 0.898 0.03 . 1 . . . . 65 I HG12 . 17077 1 669 . 1 1 68 68 ILE HG21 H 1 0.748 0.03 . 1 . . . . 65 I HG21 . 17077 1 670 . 1 1 68 68 ILE HG22 H 1 0.748 0.03 . 1 . . . . 65 I HG21 . 17077 1 671 . 1 1 68 68 ILE HG23 H 1 0.748 0.03 . 1 . . . . 65 I HG21 . 17077 1 672 . 1 1 68 68 ILE C C 13 176.677 0.3 . 1 . . . . 65 I C . 17077 1 673 . 1 1 68 68 ILE CA C 13 64.339 0.3 . 1 . . . . 65 I CA . 17077 1 674 . 1 1 68 68 ILE CB C 13 38.923 0.3 . 1 . . . . 65 I CB . 17077 1 675 . 1 1 68 68 ILE CD1 C 13 13.087 0.3 . 1 . . . . 65 I CD1 . 17077 1 676 . 1 1 68 68 ILE CG1 C 13 29.630 0.3 . 1 . . . . 65 I CG1 . 17077 1 677 . 1 1 68 68 ILE CG2 C 13 16.465 0.3 . 1 . . . . 65 I CG2 . 17077 1 678 . 1 1 68 68 ILE N N 15 123.850 0.3 . 1 . . . . 65 I N . 17077 1 679 . 1 1 69 69 GLU H H 1 8.864 0.03 . 1 . . . . 66 E HN . 17077 1 680 . 1 1 69 69 GLU HA H 1 4.382 0.03 . 1 . . . . 66 E HA . 17077 1 681 . 1 1 69 69 GLU HB2 H 1 2.118 0.03 . 2 . . . . 66 E HB2 . 17077 1 682 . 1 1 69 69 GLU HG2 H 1 2.291 0.03 . 2 . . . . 66 E HG1 . 17077 1 683 . 1 1 69 69 GLU HG3 H 1 2.341 0.03 . 2 . . . . 66 E HG2 . 17077 1 684 . 1 1 69 69 GLU C C 13 176.680 0.3 . 1 . . . . 66 E C . 17077 1 685 . 1 1 69 69 GLU CA C 13 58.522 0.3 . 1 . . . . 66 E CA . 17077 1 686 . 1 1 69 69 GLU CB C 13 28.647 0.3 . 1 . . . . 66 E CB . 17077 1 687 . 1 1 69 69 GLU CG C 13 36.300 0.3 . 1 . . . . 66 E CG . 17077 1 688 . 1 1 69 69 GLU N N 15 120.579 0.3 . 1 . . . . 66 E N . 17077 1 689 . 1 1 70 70 ASN H H 1 7.929 0.03 . 1 . . . . 67 N HN . 17077 1 690 . 1 1 70 70 ASN HA H 1 4.411 0.03 . 1 . . . . 67 N HA . 17077 1 691 . 1 1 70 70 ASN HB2 H 1 2.321 0.03 . 2 . . . . 67 N HB1 . 17077 1 692 . 1 1 70 70 ASN HB3 H 1 2.265 0.03 . 2 . . . . 67 N HB2 . 17077 1 693 . 1 1 70 70 ASN HD21 H 1 6.931 0.03 . 2 . . . . 67 N HD21 . 17077 1 694 . 1 1 70 70 ASN HD22 H 1 7.251 0.03 . 2 . . . . 67 N HD22 . 17077 1 695 . 1 1 70 70 ASN C C 13 174.199 0.3 . 1 . . . . 67 N C . 17077 1 696 . 1 1 70 70 ASN CA C 13 53.783 0.3 . 1 . . . . 67 N CA . 17077 1 697 . 1 1 70 70 ASN CB C 13 37.646 0.3 . 1 . . . . 67 N CB . 17077 1 698 . 1 1 70 70 ASN N N 15 119.051 0.3 . 1 . . . . 67 N N . 17077 1 699 . 1 1 70 70 ASN ND2 N 15 110.763 0.3 . 1 . . . . 67 N ND2 . 17077 1 700 . 1 1 71 71 PHE H H 1 8.116 0.03 . 1 . . . . 68 F HN . 17077 1 701 . 1 1 71 71 PHE HA H 1 4.903 0.03 . 1 . . . . 68 F HA . 17077 1 702 . 1 1 71 71 PHE HB2 H 1 3.029 0.03 . 2 . . . . 68 F HB1 . 17077 1 703 . 1 1 71 71 PHE HB3 H 1 3.420 0.03 . 2 . . . . 68 F HB2 . 17077 1 704 . 1 1 71 71 PHE HD1 H 1 7.362 0.03 . 3 . . . . 68 F HD1 . 17077 1 705 . 1 1 71 71 PHE HE1 H 1 7.230 0.03 . 3 . . . . 68 F HE1 . 17077 1 706 . 1 1 71 71 PHE HZ H 1 7.406 0.03 . 1 . . . . 68 F HZ . 17077 1 707 . 1 1 71 71 PHE C C 13 173.321 0.3 . 1 . . . . 68 F C . 17077 1 708 . 1 1 71 71 PHE CA C 13 57.344 0.3 . 1 . . . . 68 F CA . 17077 1 709 . 1 1 71 71 PHE CB C 13 42.549 0.3 . 1 . . . . 68 F CB . 17077 1 710 . 1 1 71 71 PHE CD1 C 13 132.958 0.3 . 3 . . . . 68 F CD1 . 17077 1 711 . 1 1 71 71 PHE CE1 C 13 131.795 0.3 . 3 . . . . 68 F CE1 . 17077 1 712 . 1 1 71 71 PHE CZ C 13 130.061 0.3 . 1 . . . . 68 F CZ . 17077 1 713 . 1 1 71 71 PHE N N 15 119.771 0.3 . 1 . . . . 68 F N . 17077 1 714 . 1 1 72 72 ASN H H 1 9.170 0.03 . 1 . . . . 69 N HN . 17077 1 715 . 1 1 72 72 ASN HA H 1 5.006 0.03 . 1 . . . . 69 N HA . 17077 1 716 . 1 1 72 72 ASN HB2 H 1 2.696 0.03 . 2 . . . . 69 N HB1 . 17077 1 717 . 1 1 72 72 ASN HB3 H 1 2.928 0.03 . 2 . . . . 69 N HB2 . 17077 1 718 . 1 1 72 72 ASN HD21 H 1 6.961 0.03 . 2 . . . . 69 N HD21 . 17077 1 719 . 1 1 72 72 ASN HD22 H 1 7.534 0.03 . 2 . . . . 69 N HD22 . 17077 1 720 . 1 1 72 72 ASN C C 13 175.297 0.3 . 1 . . . . 69 N C . 17077 1 721 . 1 1 72 72 ASN CA C 13 51.398 0.3 . 1 . . . . 69 N CA . 17077 1 722 . 1 1 72 72 ASN CB C 13 39.765 0.3 . 1 . . . . 69 N CB . 17077 1 723 . 1 1 72 72 ASN N N 15 120.722 0.3 . 1 . . . . 69 N N . 17077 1 724 . 1 1 72 72 ASN ND2 N 15 114.262 0.3 . 1 . . . . 69 N ND2 . 17077 1 725 . 1 1 73 73 ALA H H 1 8.355 0.03 . 1 . . . . 70 A HN . 17077 1 726 . 1 1 73 73 ALA HA H 1 2.178 0.03 . 1 . . . . 70 A HA . 17077 1 727 . 1 1 73 73 ALA HB1 H 1 -0.190 0.03 . 1 . . . . 70 A HB1 . 17077 1 728 . 1 1 73 73 ALA HB2 H 1 -0.190 0.03 . 1 . . . . 70 A HB1 . 17077 1 729 . 1 1 73 73 ALA HB3 H 1 -0.190 0.03 . 1 . . . . 70 A HB1 . 17077 1 730 . 1 1 73 73 ALA C C 13 177.785 0.3 . 1 . . . . 70 A C . 17077 1 731 . 1 1 73 73 ALA CA C 13 54.731 0.3 . 1 . . . . 70 A CA . 17077 1 732 . 1 1 73 73 ALA CB C 13 17.873 0.3 . 1 . . . . 70 A CB . 17077 1 733 . 1 1 73 73 ALA N N 15 130.545 0.3 . 1 . . . . 70 A N . 17077 1 734 . 1 1 74 74 ASP H H 1 7.560 0.03 . 1 . . . . 71 D HN . 17077 1 735 . 1 1 74 74 ASP HA H 1 4.249 0.03 . 1 . . . . 71 D HA . 17077 1 736 . 1 1 74 74 ASP HB2 H 1 2.388 0.03 . 2 . . . . 71 D HB1 . 17077 1 737 . 1 1 74 74 ASP HB3 H 1 2.518 0.03 . 2 . . . . 71 D HB2 . 17077 1 738 . 1 1 74 74 ASP C C 13 177.497 0.3 . 1 . . . . 71 D C . 17077 1 739 . 1 1 74 74 ASP CA C 13 55.250 0.3 . 1 . . . . 71 D CA . 17077 1 740 . 1 1 74 74 ASP CB C 13 40.389 0.3 . 1 . . . . 71 D CB . 17077 1 741 . 1 1 74 74 ASP N N 15 110.971 0.3 . 1 . . . . 71 D N . 17077 1 742 . 1 1 75 75 ASP H H 1 7.714 0.03 . 1 . . . . 72 D HN . 17077 1 743 . 1 1 75 75 ASP HA H 1 4.330 0.03 . 1 . . . . 72 D HA . 17077 1 744 . 1 1 75 75 ASP HB2 H 1 2.322 0.03 . 2 . . . . 72 D HB1 . 17077 1 745 . 1 1 75 75 ASP HB3 H 1 2.809 0.03 . 2 . . . . 72 D HB2 . 17077 1 746 . 1 1 75 75 ASP C C 13 175.678 0.3 . 1 . . . . 72 D C . 17077 1 747 . 1 1 75 75 ASP CA C 13 55.142 0.3 . 1 . . . . 72 D CA . 17077 1 748 . 1 1 75 75 ASP CB C 13 40.758 0.3 . 1 . . . . 72 D CB . 17077 1 749 . 1 1 75 75 ASP N N 15 117.859 0.3 . 1 . . . . 72 D N . 17077 1 750 . 1 1 76 76 TYR H H 1 7.733 0.03 . 1 . . . . 73 Y HN . 17077 1 751 . 1 1 76 76 TYR HA H 1 4.114 0.03 . 1 . . . . 73 Y HA . 17077 1 752 . 1 1 76 76 TYR HB2 H 1 2.784 0.03 . 2 . . . . 73 Y HB2 . 17077 1 753 . 1 1 76 76 TYR HD1 H 1 7.066 0.03 . 3 . . . . 73 Y HD1 . 17077 1 754 . 1 1 76 76 TYR HE1 H 1 6.922 0.03 . 3 . . . . 73 Y HE1 . 17077 1 755 . 1 1 76 76 TYR C C 13 173.797 0.3 . 1 . . . . 73 Y C . 17077 1 756 . 1 1 76 76 TYR CA C 13 59.376 0.3 . 1 . . . . 73 Y CA . 17077 1 757 . 1 1 76 76 TYR CB C 13 40.337 0.3 . 1 . . . . 73 Y CB . 17077 1 758 . 1 1 76 76 TYR CD1 C 13 131.438 0.3 . 3 . . . . 73 Y CD1 . 17077 1 759 . 1 1 76 76 TYR CE1 C 13 118.198 0.3 . 3 . . . . 73 Y CE1 . 17077 1 760 . 1 1 76 76 TYR N N 15 118.472 0.3 . 1 . . . . 73 Y N . 17077 1 761 . 1 1 77 77 ASP H H 1 8.519 0.03 . 1 . . . . 74 D HN . 17077 1 762 . 1 1 77 77 ASP HA H 1 4.964 0.03 . 1 . . . . 74 D HA . 17077 1 763 . 1 1 77 77 ASP HB2 H 1 2.621 0.03 . 2 . . . . 74 D HB1 . 17077 1 764 . 1 1 77 77 ASP HB3 H 1 2.926 0.03 . 2 . . . . 74 D HB2 . 17077 1 765 . 1 1 77 77 ASP C C 13 174.623 0.3 . 1 . . . . 74 D C . 17077 1 766 . 1 1 77 77 ASP CA C 13 56.089 0.3 . 1 . . . . 74 D CA . 17077 1 767 . 1 1 77 77 ASP CB C 13 44.850 0.3 . 1 . . . . 74 D CB . 17077 1 768 . 1 1 77 77 ASP N N 15 119.889 0.3 . 1 . . . . 74 D N . 17077 1 769 . 1 1 78 78 VAL H H 1 7.880 0.03 . 1 . . . . 75 V HN . 17077 1 770 . 1 1 78 78 VAL HA H 1 4.591 0.03 . 1 . . . . 75 V HA . 17077 1 771 . 1 1 78 78 VAL HB H 1 1.941 0.03 . 1 . . . . 75 V HB . 17077 1 772 . 1 1 78 78 VAL HG11 H 1 0.836 0.03 . 2 . . . . 75 V HG11 . 17077 1 773 . 1 1 78 78 VAL HG12 H 1 0.836 0.03 . 2 . . . . 75 V HG11 . 17077 1 774 . 1 1 78 78 VAL HG13 H 1 0.836 0.03 . 2 . . . . 75 V HG11 . 17077 1 775 . 1 1 78 78 VAL HG21 H 1 0.730 0.03 . 2 . . . . 75 V HG21 . 17077 1 776 . 1 1 78 78 VAL HG22 H 1 0.730 0.03 . 2 . . . . 75 V HG21 . 17077 1 777 . 1 1 78 78 VAL HG23 H 1 0.730 0.03 . 2 . . . . 75 V HG21 . 17077 1 778 . 1 1 78 78 VAL C C 13 173.604 0.3 . 1 . . . . 75 V C . 17077 1 779 . 1 1 78 78 VAL CA C 13 60.362 0.3 . 1 . . . . 75 V CA . 17077 1 780 . 1 1 78 78 VAL CB C 13 35.586 0.3 . 1 . . . . 75 V CB . 17077 1 781 . 1 1 78 78 VAL CG1 C 13 20.396 0.3 . 1 . . . . 75 V CG1 . 17077 1 782 . 1 1 78 78 VAL CG2 C 13 21.812 0.3 . 1 . . . . 75 V CG2 . 17077 1 783 . 1 1 78 78 VAL N N 15 116.721 0.3 . 1 . . . . 75 V N . 17077 1 784 . 1 1 79 79 VAL H H 1 8.375 0.03 . 1 . . . . 76 V HN . 17077 1 785 . 1 1 79 79 VAL HA H 1 4.753 0.03 . 1 . . . . 76 V HA . 17077 1 786 . 1 1 79 79 VAL HB H 1 2.332 0.03 . 1 . . . . 76 V HB . 17077 1 787 . 1 1 79 79 VAL HG11 H 1 1.046 0.03 . 2 . . . . 76 V HG11 . 17077 1 788 . 1 1 79 79 VAL HG12 H 1 1.046 0.03 . 2 . . . . 76 V HG11 . 17077 1 789 . 1 1 79 79 VAL HG13 H 1 1.046 0.03 . 2 . . . . 76 V HG11 . 17077 1 790 . 1 1 79 79 VAL HG21 H 1 1.250 0.03 . 2 . . . . 76 V HG21 . 17077 1 791 . 1 1 79 79 VAL HG22 H 1 1.250 0.03 . 2 . . . . 76 V HG21 . 17077 1 792 . 1 1 79 79 VAL HG23 H 1 1.250 0.03 . 2 . . . . 76 V HG21 . 17077 1 793 . 1 1 79 79 VAL C C 13 172.942 0.3 . 1 . . . . 76 V C . 17077 1 794 . 1 1 79 79 VAL CA C 13 61.084 0.3 . 1 . . . . 76 V CA . 17077 1 795 . 1 1 79 79 VAL CB C 13 35.365 0.3 . 1 . . . . 76 V CB . 17077 1 796 . 1 1 79 79 VAL CG1 C 13 21.000 0.3 . 1 . . . . 76 V CG1 . 17077 1 797 . 1 1 79 79 VAL CG2 C 13 20.550 0.3 . 1 . . . . 76 V CG2 . 17077 1 798 . 1 1 79 79 VAL N N 15 128.708 0.3 . 1 . . . . 76 V N . 17077 1 799 . 1 1 80 80 ILE H H 1 8.716 0.03 . 1 . . . . 77 I HN . 17077 1 800 . 1 1 80 80 ILE HA H 1 4.392 0.03 . 1 . . . . 77 I HA . 17077 1 801 . 1 1 80 80 ILE HB H 1 1.408 0.03 . 1 . . . . 77 I HB . 17077 1 802 . 1 1 80 80 ILE HD11 H 1 0.304 0.03 . 1 . . . . 77 I HD11 . 17077 1 803 . 1 1 80 80 ILE HD12 H 1 0.304 0.03 . 1 . . . . 77 I HD11 . 17077 1 804 . 1 1 80 80 ILE HD13 H 1 0.304 0.03 . 1 . . . . 77 I HD11 . 17077 1 805 . 1 1 80 80 ILE HG12 H 1 0.509 0.03 . 1 . . . . 77 I HG11 . 17077 1 806 . 1 1 80 80 ILE HG13 H 1 0.706 0.03 . 1 . . . . 77 I HG12 . 17077 1 807 . 1 1 80 80 ILE HG21 H 1 -1.030 0.03 . 1 . . . . 77 I HG21 . 17077 1 808 . 1 1 80 80 ILE HG22 H 1 -1.030 0.03 . 1 . . . . 77 I HG21 . 17077 1 809 . 1 1 80 80 ILE HG23 H 1 -1.030 0.03 . 1 . . . . 77 I HG21 . 17077 1 810 . 1 1 80 80 ILE C C 13 172.942 0.3 . 1 . . . . 77 I C . 17077 1 811 . 1 1 80 80 ILE CA C 13 56.416 0.3 . 1 . . . . 77 I CA . 17077 1 812 . 1 1 80 80 ILE CB C 13 38.349 0.3 . 1 . . . . 77 I CB . 17077 1 813 . 1 1 80 80 ILE CD1 C 13 11.120 0.3 . 1 . . . . 77 I CD1 . 17077 1 814 . 1 1 80 80 ILE CG1 C 13 25.507 0.3 . 1 . . . . 77 I CG1 . 17077 1 815 . 1 1 80 80 ILE CG2 C 13 14.190 0.3 . 1 . . . . 77 I CG2 . 17077 1 816 . 1 1 80 80 ILE N N 15 126.626 0.3 . 1 . . . . 77 I N . 17077 1 817 . 1 1 81 81 SER H H 1 8.548 0.03 . 1 . . . . 78 S HN . 17077 1 818 . 1 1 81 81 SER HA H 1 5.159 0.03 . 1 . . . . 78 S HA . 17077 1 819 . 1 1 81 81 SER HB2 H 1 3.645 0.03 . 2 . . . . 78 S HB1 . 17077 1 820 . 1 1 81 81 SER HB3 H 1 3.965 0.03 . 2 . . . . 78 S HB2 . 17077 1 821 . 1 1 81 81 SER CA C 13 56.683 0.3 . 1 . . . . 78 S CA . 17077 1 822 . 1 1 81 81 SER CB C 13 64.379 0.3 . 1 . . . . 78 S CB . 17077 1 823 . 1 1 81 81 SER N N 15 120.781 0.3 . 1 . . . . 78 S N . 17077 1 824 . 1 1 82 82 LEU H H 1 8.716 0.03 . 1 . . . . 79 L HN . 17077 1 825 . 1 1 82 82 LEU HA H 1 4.976 0.03 . 1 . . . . 79 L HA . 17077 1 826 . 1 1 82 82 LEU HB2 H 1 1.615 0.03 . 2 . . . . 79 L HB1 . 17077 1 827 . 1 1 82 82 LEU HB3 H 1 2.056 0.03 . 2 . . . . 79 L HB2 . 17077 1 828 . 1 1 82 82 LEU HG H 1 0.724 0.03 . 1 . . . . 79 L HG . 17077 1 829 . 1 1 82 82 LEU CA C 13 55.800 0.3 . 1 . . . . 79 L CA . 17077 1 830 . 1 1 82 82 LEU CB C 13 44.943 0.3 . 1 . . . . 79 L CB . 17077 1 831 . 1 1 82 82 LEU CG C 13 27.564 0.3 . 1 . . . . 79 L CG . 17077 1 832 . 1 1 82 82 LEU N N 15 126.626 0.3 . 1 . . . . 79 L N . 17077 1 833 . 1 1 83 83 CYS H H 1 7.327 0.03 . 1 . . . . 80 C HN . 17077 1 834 . 1 1 83 83 CYS HA H 1 4.082 0.03 . 1 . . . . 80 C HA . 17077 1 835 . 1 1 83 83 CYS C C 13 175.733 0.3 . 1 . . . . 80 C C . 17077 1 836 . 1 1 83 83 CYS CA C 13 58.599 0.3 . 1 . . . . 80 C CA . 17077 1 837 . 1 1 85 85 SER H H 1 7.676 0.03 . 1 . . . . 82 S HN . 17077 1 838 . 1 1 85 85 SER HA H 1 4.488 0.03 . 1 . . . . 82 S HA . 17077 1 839 . 1 1 85 85 SER HB2 H 1 3.937 0.03 . 2 . . . . 82 S HB2 . 17077 1 840 . 1 1 85 85 SER C C 13 175.752 0.3 . 1 . . . . 82 S C . 17077 1 841 . 1 1 85 85 SER CA C 13 58.864 0.3 . 1 . . . . 82 S CA . 17077 1 842 . 1 1 85 85 SER CB C 13 63.716 0.3 . 1 . . . . 82 S CB . 17077 1 843 . 1 1 85 85 SER N N 15 118.378 0.3 . 1 . . . . 82 S N . 17077 1 844 . 1 1 86 86 GLY H H 1 8.840 0.03 . 1 . . . . 83 G HN . 17077 1 845 . 1 1 86 86 GLY HA2 H 1 3.910 0.03 . 2 . . . . 83 G HA1 . 17077 1 846 . 1 1 86 86 GLY HA3 H 1 3.820 0.03 . 2 . . . . 83 G HA2 . 17077 1 847 . 1 1 86 86 GLY C C 13 173.247 0.3 . 1 . . . . 83 G C . 17077 1 848 . 1 1 86 86 GLY CA C 13 46.500 0.3 . 1 . . . . 83 G CA . 17077 1 849 . 1 1 86 86 GLY N N 15 111.599 0.3 . 1 . . . . 83 G N . 17077 1 850 . 1 1 87 87 VAL H H 1 8.194 0.03 . 1 . . . . 84 V HN . 17077 1 851 . 1 1 87 87 VAL HA H 1 3.994 0.03 . 1 . . . . 84 V HA . 17077 1 852 . 1 1 87 87 VAL HB H 1 2.117 0.03 . 1 . . . . 84 V HB . 17077 1 853 . 1 1 87 87 VAL HG21 H 1 0.881 0.03 . 2 . . . . 84 V HG21 . 17077 1 854 . 1 1 87 87 VAL HG22 H 1 0.881 0.03 . 2 . . . . 84 V HG21 . 17077 1 855 . 1 1 87 87 VAL HG23 H 1 0.881 0.03 . 2 . . . . 84 V HG21 . 17077 1 856 . 1 1 87 87 VAL CA C 13 62.715 0.3 . 1 . . . . 84 V CA . 17077 1 857 . 1 1 87 87 VAL CB C 13 32.024 0.3 . 1 . . . . 84 V CB . 17077 1 858 . 1 1 87 87 VAL CG2 C 13 20.804 0.3 . 1 . . . . 84 V CG2 . 17077 1 859 . 1 1 88 88 ASN H H 1 7.066 0.03 . 1 . . . . 85 N HN . 17077 1 860 . 1 1 88 88 ASN HA H 1 4.726 0.03 . 1 . . . . 85 N HA . 17077 1 861 . 1 1 88 88 ASN HB2 H 1 2.651 0.03 . 2 . . . . 85 N HB1 . 17077 1 862 . 1 1 88 88 ASN HB3 H 1 2.865 0.03 . 2 . . . . 85 N HB2 . 17077 1 863 . 1 1 88 88 ASN HD21 H 1 7.539 0.03 . 2 . . . . 85 N HD21 . 17077 1 864 . 1 1 88 88 ASN HD22 H 1 6.914 0.03 . 2 . . . . 85 N HD22 . 17077 1 865 . 1 1 88 88 ASN C C 13 174.640 0.3 . 1 . . . . 85 N C . 17077 1 866 . 1 1 88 88 ASN CA C 13 53.100 0.3 . 1 . . . . 85 N CA . 17077 1 867 . 1 1 88 88 ASN CB C 13 38.470 0.3 . 1 . . . . 85 N CB . 17077 1 868 . 1 1 88 88 ASN ND2 N 15 113.143 0.3 . 1 . . . . 85 N ND2 . 17077 1 869 . 1 1 89 89 LEU H H 1 7.794 0.03 . 1 . . . . 86 L HN . 17077 1 870 . 1 1 89 89 LEU HA H 1 4.451 0.03 . 1 . . . . 86 L HA . 17077 1 871 . 1 1 89 89 LEU HB2 H 1 1.282 0.03 . 2 . . . . 86 L HB1 . 17077 1 872 . 1 1 89 89 LEU HB3 H 1 1.536 0.03 . 2 . . . . 86 L HB2 . 17077 1 873 . 1 1 89 89 LEU HD11 H 1 0.750 0.03 . 2 . . . . 86 L HD11 . 17077 1 874 . 1 1 89 89 LEU HD12 H 1 0.750 0.03 . 2 . . . . 86 L HD11 . 17077 1 875 . 1 1 89 89 LEU HD13 H 1 0.750 0.03 . 2 . . . . 86 L HD11 . 17077 1 876 . 1 1 89 89 LEU HD21 H 1 0.599 0.03 . 2 . . . . 86 L HD21 . 17077 1 877 . 1 1 89 89 LEU HD22 H 1 0.599 0.03 . 2 . . . . 86 L HD21 . 17077 1 878 . 1 1 89 89 LEU HD23 H 1 0.599 0.03 . 2 . . . . 86 L HD21 . 17077 1 879 . 1 1 89 89 LEU HG H 1 1.606 0.03 . 1 . . . . 86 L HG . 17077 1 880 . 1 1 89 89 LEU C C 13 174.466 0.3 . 1 . . . . 86 L C . 17077 1 881 . 1 1 89 89 LEU CA C 13 52.897 0.3 . 1 . . . . 86 L CA . 17077 1 882 . 1 1 89 89 LEU CB C 13 41.642 0.3 . 1 . . . . 86 L CB . 17077 1 883 . 1 1 89 89 LEU CD1 C 13 25.646 0.3 . 1 . . . . 86 L CD1 . 17077 1 884 . 1 1 89 89 LEU CD2 C 13 23.345 0.3 . 1 . . . . 86 L CD2 . 17077 1 885 . 1 1 89 89 LEU CG C 13 26.993 0.3 . 1 . . . . 86 L CG . 17077 1 886 . 1 1 89 89 LEU N N 15 122.659 0.3 . 1 . . . . 86 L N . 17077 1 887 . 1 1 90 90 PRO HA H 1 3.701 0.03 . 1 . . . . 87 P HA . 17077 1 888 . 1 1 90 90 PRO HB2 H 1 2.102 0.03 . 2 . . . . 87 P HB1 . 17077 1 889 . 1 1 90 90 PRO HB3 H 1 2.708 0.03 . 2 . . . . 87 P HB2 . 17077 1 890 . 1 1 90 90 PRO HD2 H 1 3.428 0.03 . 2 . . . . 87 P HD1 . 17077 1 891 . 1 1 90 90 PRO HD3 H 1 3.921 0.03 . 2 . . . . 87 P HD2 . 17077 1 892 . 1 1 90 90 PRO HG2 H 1 2.224 0.03 . 2 . . . . 87 P HG1 . 17077 1 893 . 1 1 90 90 PRO HG3 H 1 2.278 0.03 . 2 . . . . 87 P HG2 . 17077 1 894 . 1 1 90 90 PRO CA C 13 61.594 0.3 . 1 . . . . 87 P CA . 17077 1 895 . 1 1 90 90 PRO CB C 13 31.407 0.3 . 1 . . . . 87 P CB . 17077 1 896 . 1 1 90 90 PRO CD C 13 50.286 0.3 . 1 . . . . 87 P CD . 17077 1 897 . 1 1 90 90 PRO CG C 13 28.146 0.3 . 1 . . . . 87 P CG . 17077 1 898 . 1 1 91 91 PRO HA H 1 4.181 0.03 . 1 . . . . 88 P HA . 17077 1 899 . 1 1 91 91 PRO HB2 H 1 1.923 0.03 . 2 . . . . 88 P HB1 . 17077 1 900 . 1 1 91 91 PRO HB3 H 1 2.296 0.03 . 2 . . . . 88 P HB2 . 17077 1 901 . 1 1 91 91 PRO HD2 H 1 3.808 0.03 . 2 . . . . 88 P HD2 . 17077 1 902 . 1 1 91 91 PRO HG2 H 1 1.940 0.03 . 2 . . . . 88 P HG2 . 17077 1 903 . 1 1 91 91 PRO C C 13 178.839 0.3 . 1 . . . . 88 P C . 17077 1 904 . 1 1 91 91 PRO CA C 13 65.070 0.3 . 1 . . . . 88 P CA . 17077 1 905 . 1 1 91 91 PRO CB C 13 32.096 0.3 . 1 . . . . 88 P CB . 17077 1 906 . 1 1 91 91 PRO CD C 13 50.673 0.3 . 1 . . . . 88 P CD . 17077 1 907 . 1 1 91 91 PRO CG C 13 27.539 0.3 . 1 . . . . 88 P CG . 17077 1 908 . 1 1 92 92 GLU H H 1 9.832 0.03 . 1 . . . . 89 E HN . 17077 1 909 . 1 1 92 92 GLU HA H 1 3.925 0.03 . 1 . . . . 89 E HA . 17077 1 910 . 1 1 92 92 GLU HB2 H 1 1.792 0.03 . 2 . . . . 89 E HB1 . 17077 1 911 . 1 1 92 92 GLU HB3 H 1 1.590 0.03 . 2 . . . . 89 E HB2 . 17077 1 912 . 1 1 92 92 GLU HG2 H 1 2.004 0.03 . 2 . . . . 89 E HG1 . 17077 1 913 . 1 1 92 92 GLU HG3 H 1 2.076 0.03 . 2 . . . . 89 E HG2 . 17077 1 914 . 1 1 92 92 GLU C C 13 177.670 0.3 . 1 . . . . 89 E C . 17077 1 915 . 1 1 92 92 GLU CA C 13 59.004 0.3 . 1 . . . . 89 E CA . 17077 1 916 . 1 1 92 92 GLU CB C 13 27.615 0.3 . 1 . . . . 89 E CB . 17077 1 917 . 1 1 92 92 GLU CG C 13 36.116 0.3 . 1 . . . . 89 E CG . 17077 1 918 . 1 1 92 92 GLU N N 15 118.775 0.3 . 1 . . . . 89 E N . 17077 1 919 . 1 1 93 93 TRP H H 1 7.887 0.03 . 1 . . . . 90 W HN . 17077 1 920 . 1 1 93 93 TRP HA H 1 4.239 0.03 . 1 . . . . 90 W HA . 17077 1 921 . 1 1 93 93 TRP HB2 H 1 3.016 0.03 . 2 . . . . 90 W HB1 . 17077 1 922 . 1 1 93 93 TRP HB3 H 1 3.348 0.03 . 2 . . . . 90 W HB2 . 17077 1 923 . 1 1 93 93 TRP HD1 H 1 7.097 0.03 . 1 . . . . 90 W HD1 . 17077 1 924 . 1 1 93 93 TRP HE1 H 1 10.398 0.03 . 1 . . . . 90 W HE1 . 17077 1 925 . 1 1 93 93 TRP HE3 H 1 7.595 0.03 . 1 . . . . 90 W HE3 . 17077 1 926 . 1 1 93 93 TRP HH2 H 1 6.325 0.03 . 1 . . . . 90 W HH2 . 17077 1 927 . 1 1 93 93 TRP HZ2 H 1 7.308 0.03 . 1 . . . . 90 W HZ2 . 17077 1 928 . 1 1 93 93 TRP HZ3 H 1 7.150 0.03 . 1 . . . . 90 W HZ3 . 17077 1 929 . 1 1 93 93 TRP C C 13 176.334 0.3 . 1 . . . . 90 W C . 17077 1 930 . 1 1 93 93 TRP CA C 13 59.659 0.3 . 1 . . . . 90 W CA . 17077 1 931 . 1 1 93 93 TRP CB C 13 30.187 0.3 . 1 . . . . 90 W CB . 17077 1 932 . 1 1 93 93 TRP CE3 C 13 120.286 0.3 . 1 . . . . 90 W CE3 . 17077 1 933 . 1 1 93 93 TRP N N 15 118.437 0.3 . 1 . . . . 90 W N . 17077 1 934 . 1 1 93 93 TRP NE1 N 15 129.879 0.3 . 1 . . . . 90 W NE1 . 17077 1 935 . 1 1 94 94 VAL H H 1 7.098 0.03 . 1 . . . . 91 V HN . 17077 1 936 . 1 1 94 94 VAL HA H 1 4.234 0.03 . 1 . . . . 91 V HA . 17077 1 937 . 1 1 94 94 VAL HB H 1 1.682 0.03 . 1 . . . . 91 V HB . 17077 1 938 . 1 1 94 94 VAL HG11 H 1 0.164 0.03 . 2 . . . . 91 V HG11 . 17077 1 939 . 1 1 94 94 VAL HG12 H 1 0.164 0.03 . 2 . . . . 91 V HG11 . 17077 1 940 . 1 1 94 94 VAL HG13 H 1 0.164 0.03 . 2 . . . . 91 V HG11 . 17077 1 941 . 1 1 94 94 VAL HG21 H 1 0.694 0.03 . 2 . . . . 91 V HG21 . 17077 1 942 . 1 1 94 94 VAL HG22 H 1 0.694 0.03 . 2 . . . . 91 V HG21 . 17077 1 943 . 1 1 94 94 VAL HG23 H 1 0.694 0.03 . 2 . . . . 91 V HG21 . 17077 1 944 . 1 1 94 94 VAL C C 13 176.930 0.3 . 1 . . . . 91 V C . 17077 1 945 . 1 1 94 94 VAL CA C 13 60.502 0.3 . 1 . . . . 91 V CA . 17077 1 946 . 1 1 94 94 VAL CB C 13 31.143 0.3 . 1 . . . . 91 V CB . 17077 1 947 . 1 1 94 94 VAL CG1 C 13 20.975 0.3 . 1 . . . . 91 V CG1 . 17077 1 948 . 1 1 94 94 VAL CG2 C 13 19.554 0.3 . 1 . . . . 91 V CG2 . 17077 1 949 . 1 1 94 94 VAL N N 15 109.892 0.3 . 1 . . . . 91 V N . 17077 1 950 . 1 1 95 95 THR H H 1 7.060 0.03 . 1 . . . . 92 T HN . 17077 1 951 . 1 1 95 95 THR HA H 1 4.490 0.03 . 1 . . . . 92 T HA . 17077 1 952 . 1 1 95 95 THR HB H 1 4.478 0.03 . 1 . . . . 92 T HB . 17077 1 953 . 1 1 95 95 THR HG21 H 1 1.126 0.03 . 1 . . . . 92 T HG21 . 17077 1 954 . 1 1 95 95 THR HG22 H 1 1.126 0.03 . 1 . . . . 92 T HG21 . 17077 1 955 . 1 1 95 95 THR HG23 H 1 1.126 0.03 . 1 . . . . 92 T HG21 . 17077 1 956 . 1 1 95 95 THR C C 13 175.546 0.3 . 1 . . . . 92 T C . 17077 1 957 . 1 1 95 95 THR CA C 13 61.234 0.3 . 1 . . . . 92 T CA . 17077 1 958 . 1 1 95 95 THR CB C 13 68.760 0.3 . 1 . . . . 92 T CB . 17077 1 959 . 1 1 95 95 THR CG2 C 13 21.586 0.3 . 1 . . . . 92 T CG2 . 17077 1 960 . 1 1 95 95 THR N N 15 111.141 0.3 . 1 . . . . 92 T N . 17077 1 961 . 1 1 96 96 GLN H H 1 8.014 0.03 . 1 . . . . 93 Q HN . 17077 1 962 . 1 1 96 96 GLN HA H 1 4.398 0.03 . 1 . . . . 93 Q HA . 17077 1 963 . 1 1 96 96 GLN HB2 H 1 1.805 0.03 . 2 . . . . 93 Q HB1 . 17077 1 964 . 1 1 96 96 GLN HB3 H 1 2.533 0.03 . 2 . . . . 93 Q HB2 . 17077 1 965 . 1 1 96 96 GLN HE21 H 1 7.370 0.03 . 2 . . . . 93 Q HE21 . 17077 1 966 . 1 1 96 96 GLN HE22 H 1 6.744 0.03 . 2 . . . . 93 Q HE22 . 17077 1 967 . 1 1 96 96 GLN HG2 H 1 2.172 0.03 . 2 . . . . 93 Q HG1 . 17077 1 968 . 1 1 96 96 GLN HG3 H 1 2.492 0.03 . 2 . . . . 93 Q HG2 . 17077 1 969 . 1 1 96 96 GLN C C 13 175.410 0.3 . 1 . . . . 93 Q C . 17077 1 970 . 1 1 96 96 GLN CA C 13 54.538 0.3 . 1 . . . . 93 Q CA . 17077 1 971 . 1 1 96 96 GLN CB C 13 26.835 0.3 . 1 . . . . 93 Q CB . 17077 1 972 . 1 1 96 96 GLN CG C 13 33.086 0.3 . 1 . . . . 93 Q CG . 17077 1 973 . 1 1 96 96 GLN N N 15 121.035 0.3 . 1 . . . . 93 Q N . 17077 1 974 . 1 1 96 96 GLN NE2 N 15 114.132 0.3 . 1 . . . . 93 Q NE2 . 17077 1 975 . 1 1 97 97 GLU H H 1 8.342 0.03 . 1 . . . . 94 E HN . 17077 1 976 . 1 1 97 97 GLU HA H 1 3.936 0.03 . 1 . . . . 94 E HA . 17077 1 977 . 1 1 97 97 GLU HB2 H 1 2.173 0.03 . 2 . . . . 94 E HB1 . 17077 1 978 . 1 1 97 97 GLU HB3 H 1 1.895 0.03 . 2 . . . . 94 E HB2 . 17077 1 979 . 1 1 97 97 GLU HG2 H 1 2.130 0.03 . 2 . . . . 94 E HG1 . 17077 1 980 . 1 1 97 97 GLU HG3 H 1 2.360 0.03 . 2 . . . . 94 E HG2 . 17077 1 981 . 1 1 97 97 GLU C C 13 177.391 0.3 . 1 . . . . 94 E C . 17077 1 982 . 1 1 97 97 GLU CA C 13 60.673 0.3 . 1 . . . . 94 E CA . 17077 1 983 . 1 1 97 97 GLU CB C 13 29.421 0.3 . 1 . . . . 94 E CB . 17077 1 984 . 1 1 97 97 GLU CG C 13 37.802 0.3 . 1 . . . . 94 E CG . 17077 1 985 . 1 1 97 97 GLU N N 15 121.871 0.3 . 1 . . . . 94 E N . 17077 1 986 . 1 1 98 98 ILE H H 1 7.769 0.03 . 1 . . . . 95 I HN . 17077 1 987 . 1 1 98 98 ILE HA H 1 4.468 0.03 . 1 . . . . 95 I HA . 17077 1 988 . 1 1 98 98 ILE HB H 1 1.805 0.03 . 1 . . . . 95 I HB . 17077 1 989 . 1 1 98 98 ILE HD11 H 1 0.833 0.03 . 1 . . . . 95 I HD11 . 17077 1 990 . 1 1 98 98 ILE HD12 H 1 0.833 0.03 . 1 . . . . 95 I HD11 . 17077 1 991 . 1 1 98 98 ILE HD13 H 1 0.833 0.03 . 1 . . . . 95 I HD11 . 17077 1 992 . 1 1 98 98 ILE HG12 H 1 1.527 0.03 . 1 . . . . 95 I HG11 . 17077 1 993 . 1 1 98 98 ILE HG13 H 1 1.232 0.03 . 1 . . . . 95 I HG12 . 17077 1 994 . 1 1 98 98 ILE HG21 H 1 0.842 0.03 . 1 . . . . 95 I HG21 . 17077 1 995 . 1 1 98 98 ILE HG22 H 1 0.842 0.03 . 1 . . . . 95 I HG21 . 17077 1 996 . 1 1 98 98 ILE HG23 H 1 0.842 0.03 . 1 . . . . 95 I HG21 . 17077 1 997 . 1 1 98 98 ILE C C 13 175.557 0.3 . 1 . . . . 95 I C . 17077 1 998 . 1 1 98 98 ILE CA C 13 60.500 0.3 . 1 . . . . 95 I CA . 17077 1 999 . 1 1 98 98 ILE CB C 13 41.339 0.3 . 1 . . . . 95 I CB . 17077 1 1000 . 1 1 98 98 ILE CD1 C 13 12.990 0.3 . 1 . . . . 95 I CD1 . 17077 1 1001 . 1 1 98 98 ILE CG1 C 13 27.832 0.3 . 1 . . . . 95 I CG1 . 17077 1 1002 . 1 1 98 98 ILE CG2 C 13 17.758 0.3 . 1 . . . . 95 I CG2 . 17077 1 1003 . 1 1 98 98 ILE N N 15 114.854 0.3 . 1 . . . . 95 I N . 17077 1 1004 . 1 1 99 99 PHE H H 1 8.324 0.03 . 1 . . . . 96 F HN . 17077 1 1005 . 1 1 99 99 PHE HA H 1 5.791 0.03 . 1 . . . . 96 F HA . 17077 1 1006 . 1 1 99 99 PHE HB2 H 1 2.762 0.03 . 2 . . . . 96 F HB1 . 17077 1 1007 . 1 1 99 99 PHE HB3 H 1 3.430 0.03 . 2 . . . . 96 F HB2 . 17077 1 1008 . 1 1 99 99 PHE HD1 H 1 7.174 0.03 . 3 . . . . 96 F HD1 . 17077 1 1009 . 1 1 99 99 PHE CA C 13 57.383 0.3 . 1 . . . . 96 F CA . 17077 1 1010 . 1 1 99 99 PHE CB C 13 42.200 0.3 . 1 . . . . 96 F CB . 17077 1 1011 . 1 1 99 99 PHE CD1 C 13 131.493 0.3 . 3 . . . . 96 F CD1 . 17077 1 1012 . 1 1 99 99 PHE N N 15 129.596 0.3 . 1 . . . . 96 F N . 17077 1 1013 . 1 1 100 100 GLU H H 1 7.569 0.03 . 1 . . . . 97 E HN . 17077 1 1014 . 1 1 100 100 GLU HA H 1 4.299 0.03 . 1 . . . . 97 E HA . 17077 1 1015 . 1 1 100 100 GLU HB2 H 1 1.704 0.03 . 2 . . . . 97 E HB1 . 17077 1 1016 . 1 1 100 100 GLU HB3 H 1 1.989 0.03 . 2 . . . . 97 E HB2 . 17077 1 1017 . 1 1 100 100 GLU HG2 H 1 2.019 0.03 . 2 . . . . 97 E HG1 . 17077 1 1018 . 1 1 100 100 GLU HG3 H 1 2.250 0.03 . 2 . . . . 97 E HG2 . 17077 1 1019 . 1 1 100 100 GLU C C 13 172.256 0.3 . 1 . . . . 97 E C . 17077 1 1020 . 1 1 100 100 GLU CA C 13 54.858 0.3 . 1 . . . . 97 E CA . 17077 1 1021 . 1 1 100 100 GLU CB C 13 34.687 0.3 . 1 . . . . 97 E CB . 17077 1 1022 . 1 1 100 100 GLU CG C 13 36.061 0.3 . 1 . . . . 97 E CG . 17077 1 1023 . 1 1 100 100 GLU N N 15 124.306 0.3 . 1 . . . . 97 E N . 17077 1 1024 . 1 1 101 101 ASP H H 1 8.333 0.03 . 1 . . . . 98 D HN . 17077 1 1025 . 1 1 101 101 ASP HA H 1 5.195 0.03 . 1 . . . . 98 D HA . 17077 1 1026 . 1 1 101 101 ASP HB2 H 1 2.783 0.03 . 2 . . . . 98 D HB1 . 17077 1 1027 . 1 1 101 101 ASP HB3 H 1 2.415 0.03 . 2 . . . . 98 D HB2 . 17077 1 1028 . 1 1 101 101 ASP C C 13 176.245 0.3 . 1 . . . . 98 D C . 17077 1 1029 . 1 1 101 101 ASP CA C 13 52.135 0.3 . 1 . . . . 98 D CA . 17077 1 1030 . 1 1 101 101 ASP CB C 13 43.092 0.3 . 1 . . . . 98 D CB . 17077 1 1031 . 1 1 101 101 ASP N N 15 120.706 0.3 . 1 . . . . 98 D N . 17077 1 1032 . 1 1 102 102 TRP H H 1 8.882 0.03 . 1 . . . . 99 W HN . 17077 1 1033 . 1 1 102 102 TRP HA H 1 4.968 0.03 . 1 . . . . 99 W HA . 17077 1 1034 . 1 1 102 102 TRP HB2 H 1 2.892 0.03 . 2 . . . . 99 W HB1 . 17077 1 1035 . 1 1 102 102 TRP HB3 H 1 3.202 0.03 . 2 . . . . 99 W HB2 . 17077 1 1036 . 1 1 102 102 TRP HD1 H 1 6.858 0.03 . 1 . . . . 99 W HD1 . 17077 1 1037 . 1 1 102 102 TRP HE1 H 1 11.475 0.03 . 1 . . . . 99 W HE1 . 17077 1 1038 . 1 1 102 102 TRP HE3 H 1 7.226 0.03 . 1 . . . . 99 W HE3 . 17077 1 1039 . 1 1 102 102 TRP HH2 H 1 6.902 0.03 . 1 . . . . 99 W HH2 . 17077 1 1040 . 1 1 102 102 TRP HZ2 H 1 7.334 0.03 . 1 . . . . 99 W HZ2 . 17077 1 1041 . 1 1 102 102 TRP HZ3 H 1 7.049 0.03 . 1 . . . . 99 W HZ3 . 17077 1 1042 . 1 1 102 102 TRP C C 13 176.174 0.3 . 1 . . . . 99 W C . 17077 1 1043 . 1 1 102 102 TRP CA C 13 54.447 0.3 . 1 . . . . 99 W CA . 17077 1 1044 . 1 1 102 102 TRP CB C 13 30.685 0.3 . 1 . . . . 99 W CB . 17077 1 1045 . 1 1 102 102 TRP CD1 C 13 123.867 0.3 . 1 . . . . 99 W CD1 . 17077 1 1046 . 1 1 102 102 TRP CE3 C 13 120.628 0.3 . 1 . . . . 99 W CE3 . 17077 1 1047 . 1 1 102 102 TRP CH2 C 13 122.773 0.3 . 1 . . . . 99 W CH2 . 17077 1 1048 . 1 1 102 102 TRP CZ2 C 13 115.356 0.3 . 1 . . . . 99 W CZ2 . 17077 1 1049 . 1 1 102 102 TRP N N 15 125.954 0.3 . 1 . . . . 99 W N . 17077 1 1050 . 1 1 102 102 TRP NE1 N 15 132.890 0.3 . 1 . . . . 99 W NE1 . 17077 1 1051 . 1 1 103 103 GLN H H 1 8.595 0.03 . 1 . . . . 100 Q HN . 17077 1 1052 . 1 1 103 103 GLN HA H 1 4.006 0.03 . 1 . . . . 100 Q HA . 17077 1 1053 . 1 1 103 103 GLN HB2 H 1 1.972 0.03 . 2 . . . . 100 Q HB1 . 17077 1 1054 . 1 1 103 103 GLN HB3 H 1 2.028 0.03 . 2 . . . . 100 Q HB2 . 17077 1 1055 . 1 1 103 103 GLN HE21 H 1 6.745 0.03 . 2 . . . . 100 Q HE21 . 17077 1 1056 . 1 1 103 103 GLN HE22 H 1 7.624 0.03 . 2 . . . . 100 Q HE22 . 17077 1 1057 . 1 1 103 103 GLN HG2 H 1 2.246 0.03 . 2 . . . . 100 Q HG2 . 17077 1 1058 . 1 1 103 103 GLN C C 13 177.981 0.3 . 1 . . . . 100 Q C . 17077 1 1059 . 1 1 103 103 GLN CA C 13 56.123 0.3 . 1 . . . . 100 Q CA . 17077 1 1060 . 1 1 103 103 GLN CB C 13 27.846 0.3 . 1 . . . . 100 Q CB . 17077 1 1061 . 1 1 103 103 GLN CG C 13 33.800 0.3 . 1 . . . . 100 Q CG . 17077 1 1062 . 1 1 103 103 GLN NE2 N 15 113.462 0.3 . 1 . . . . 100 Q NE2 . 17077 1 1063 . 1 1 104 104 LEU H H 1 7.984 0.03 . 1 . . . . 101 L HN . 17077 1 1064 . 1 1 104 104 LEU HA H 1 4.530 0.03 . 1 . . . . 101 L HA . 17077 1 1065 . 1 1 104 104 LEU HB2 H 1 1.360 0.03 . 2 . . . . 101 L HB1 . 17077 1 1066 . 1 1 104 104 LEU HB3 H 1 1.716 0.03 . 2 . . . . 101 L HB2 . 17077 1 1067 . 1 1 104 104 LEU HD11 H 1 0.909 0.03 . 2 . . . . 101 L HD11 . 17077 1 1068 . 1 1 104 104 LEU HD12 H 1 0.909 0.03 . 2 . . . . 101 L HD11 . 17077 1 1069 . 1 1 104 104 LEU HD13 H 1 0.909 0.03 . 2 . . . . 101 L HD11 . 17077 1 1070 . 1 1 104 104 LEU HD21 H 1 1.076 0.03 . 2 . . . . 101 L HD21 . 17077 1 1071 . 1 1 104 104 LEU HD22 H 1 1.076 0.03 . 2 . . . . 101 L HD21 . 17077 1 1072 . 1 1 104 104 LEU HD23 H 1 1.076 0.03 . 2 . . . . 101 L HD21 . 17077 1 1073 . 1 1 104 104 LEU HG H 1 1.621 0.03 . 1 . . . . 101 L HG . 17077 1 1074 . 1 1 104 104 LEU C C 13 177.017 0.3 . 1 . . . . 101 L C . 17077 1 1075 . 1 1 104 104 LEU CA C 13 53.593 0.3 . 1 . . . . 101 L CA . 17077 1 1076 . 1 1 104 104 LEU CB C 13 45.250 0.3 . 1 . . . . 101 L CB . 17077 1 1077 . 1 1 104 104 LEU CD1 C 13 23.916 0.3 . 1 . . . . 101 L CD1 . 17077 1 1078 . 1 1 104 104 LEU CD2 C 13 28.450 0.3 . 1 . . . . 101 L CD2 . 17077 1 1079 . 1 1 104 104 LEU CG C 13 27.050 0.3 . 1 . . . . 101 L CG . 17077 1 1080 . 1 1 104 104 LEU N N 15 124.836 0.3 . 1 . . . . 101 L N . 17077 1 1081 . 1 1 105 105 GLU H H 1 9.012 0.03 . 1 . . . . 102 E HN . 17077 1 1082 . 1 1 105 105 GLU HA H 1 3.948 0.03 . 1 . . . . 102 E HA . 17077 1 1083 . 1 1 105 105 GLU HB2 H 1 1.684 0.03 . 2 . . . . 102 E HB1 . 17077 1 1084 . 1 1 105 105 GLU HB3 H 1 1.789 0.03 . 2 . . . . 102 E HB2 . 17077 1 1085 . 1 1 105 105 GLU HG2 H 1 2.020 0.03 . 2 . . . . 102 E HG1 . 17077 1 1086 . 1 1 105 105 GLU HG3 H 1 2.075 0.03 . 2 . . . . 102 E HG2 . 17077 1 1087 . 1 1 105 105 GLU C C 13 173.990 0.3 . 1 . . . . 102 E C . 17077 1 1088 . 1 1 105 105 GLU CA C 13 56.384 0.3 . 1 . . . . 102 E CA . 17077 1 1089 . 1 1 105 105 GLU CB C 13 30.084 0.3 . 1 . . . . 102 E CB . 17077 1 1090 . 1 1 105 105 GLU CG C 13 36.332 0.3 . 1 . . . . 102 E CG . 17077 1 1091 . 1 1 105 105 GLU N N 15 126.408 0.3 . 1 . . . . 102 E N . 17077 1 1092 . 1 1 106 106 ASP H H 1 8.353 0.03 . 1 . . . . 103 D HN . 17077 1 1093 . 1 1 106 106 ASP HA H 1 4.344 0.03 . 1 . . . . 103 D HA . 17077 1 1094 . 1 1 106 106 ASP HB2 H 1 2.446 0.03 . 2 . . . . 103 D HB1 . 17077 1 1095 . 1 1 106 106 ASP HB3 H 1 2.985 0.03 . 2 . . . . 103 D HB2 . 17077 1 1096 . 1 1 106 106 ASP C C 13 176.207 0.3 . 1 . . . . 103 D C . 17077 1 1097 . 1 1 106 106 ASP CA C 13 50.742 0.3 . 1 . . . . 103 D CA . 17077 1 1098 . 1 1 106 106 ASP CB C 13 41.802 0.3 . 1 . . . . 103 D CB . 17077 1 1099 . 1 1 106 106 ASP N N 15 121.208 0.3 . 1 . . . . 103 D N . 17077 1 1100 . 1 1 107 107 PRO HA H 1 3.916 0.03 . 1 . . . . 104 P HA . 17077 1 1101 . 1 1 107 107 PRO HB2 H 1 1.069 0.03 . 2 . . . . 104 P HB1 . 17077 1 1102 . 1 1 107 107 PRO HB3 H 1 0.368 0.03 . 2 . . . . 104 P HB2 . 17077 1 1103 . 1 1 107 107 PRO HD2 H 1 3.966 0.03 . 2 . . . . 104 P HD1 . 17077 1 1104 . 1 1 107 107 PRO HD3 H 1 4.152 0.03 . 2 . . . . 104 P HD2 . 17077 1 1105 . 1 1 107 107 PRO HG2 H 1 1.073 0.03 . 2 . . . . 104 P HG1 . 17077 1 1106 . 1 1 107 107 PRO HG3 H 1 1.396 0.03 . 2 . . . . 104 P HG2 . 17077 1 1107 . 1 1 107 107 PRO C C 13 174.565 0.3 . 1 . . . . 104 P C . 17077 1 1108 . 1 1 107 107 PRO CA C 13 62.952 0.3 . 1 . . . . 104 P CA . 17077 1 1109 . 1 1 107 107 PRO CB C 13 31.240 0.3 . 1 . . . . 104 P CB . 17077 1 1110 . 1 1 107 107 PRO CD C 13 49.308 0.3 . 1 . . . . 104 P CD . 17077 1 1111 . 1 1 107 107 PRO CG C 13 25.855 0.3 . 1 . . . . 104 P CG . 17077 1 1112 . 1 1 108 108 ASP H H 1 7.561 0.03 . 1 . . . . 105 D HN . 17077 1 1113 . 1 1 108 108 ASP HA H 1 4.200 0.03 . 1 . . . . 105 D HA . 17077 1 1114 . 1 1 108 108 ASP HB2 H 1 2.566 0.03 . 2 . . . . 105 D HB1 . 17077 1 1115 . 1 1 108 108 ASP HB3 H 1 2.786 0.03 . 2 . . . . 105 D HB2 . 17077 1 1116 . 1 1 108 108 ASP C C 13 177.965 0.3 . 1 . . . . 105 D C . 17077 1 1117 . 1 1 108 108 ASP CA C 13 56.989 0.3 . 1 . . . . 105 D CA . 17077 1 1118 . 1 1 108 108 ASP CB C 13 39.630 0.3 . 1 . . . . 105 D CB . 17077 1 1119 . 1 1 108 108 ASP N N 15 121.830 0.3 . 1 . . . . 105 D N . 17077 1 1120 . 1 1 109 109 GLY H H 1 8.765 0.03 . 1 . . . . 106 G HN . 17077 1 1121 . 1 1 109 109 GLY HA2 H 1 3.878 0.03 . 2 . . . . 106 G HA1 . 17077 1 1122 . 1 1 109 109 GLY HA3 H 1 4.192 0.03 . 2 . . . . 106 G HA2 . 17077 1 1123 . 1 1 109 109 GLY C C 13 174.821 0.3 . 1 . . . . 106 G C . 17077 1 1124 . 1 1 109 109 GLY CA C 13 45.470 0.3 . 1 . . . . 106 G CA . 17077 1 1125 . 1 1 109 109 GLY N N 15 112.649 0.3 . 1 . . . . 106 G N . 17077 1 1126 . 1 1 110 110 GLN H H 1 8.189 0.03 . 1 . . . . 107 Q HN . 17077 1 1127 . 1 1 110 110 GLN HA H 1 4.700 0.03 . 1 . . . . 107 Q HA . 17077 1 1128 . 1 1 110 110 GLN HB2 H 1 2.073 0.03 . 2 . . . . 107 Q HB1 . 17077 1 1129 . 1 1 110 110 GLN HB3 H 1 2.334 0.03 . 2 . . . . 107 Q HB2 . 17077 1 1130 . 1 1 110 110 GLN HE21 H 1 7.509 0.03 . 2 . . . . 107 Q HE21 . 17077 1 1131 . 1 1 110 110 GLN HE22 H 1 7.105 0.03 . 2 . . . . 107 Q HE22 . 17077 1 1132 . 1 1 110 110 GLN HG2 H 1 2.028 0.03 . 2 . . . . 107 Q HG1 . 17077 1 1133 . 1 1 110 110 GLN HG3 H 1 2.286 0.03 . 2 . . . . 107 Q HG2 . 17077 1 1134 . 1 1 110 110 GLN C C 13 175.042 0.3 . 1 . . . . 107 Q C . 17077 1 1135 . 1 1 110 110 GLN CA C 13 54.417 0.3 . 1 . . . . 107 Q CA . 17077 1 1136 . 1 1 110 110 GLN CB C 13 29.790 0.3 . 1 . . . . 107 Q CB . 17077 1 1137 . 1 1 110 110 GLN CG C 13 34.244 0.3 . 1 . . . . 107 Q CG . 17077 1 1138 . 1 1 110 110 GLN N N 15 119.179 0.3 . 1 . . . . 107 Q N . 17077 1 1139 . 1 1 110 110 GLN NE2 N 15 115.126 0.3 . 1 . . . . 107 Q NE2 . 17077 1 1140 . 1 1 111 111 SER H H 1 8.269 0.03 . 1 . . . . 108 S HN . 17077 1 1141 . 1 1 111 111 SER HA H 1 4.489 0.03 . 1 . . . . 108 S HA . 17077 1 1142 . 1 1 111 111 SER HB2 H 1 4.462 0.03 . 2 . . . . 108 S HB1 . 17077 1 1143 . 1 1 111 111 SER HB3 H 1 4.119 0.03 . 2 . . . . 108 S HB2 . 17077 1 1144 . 1 1 111 111 SER C C 13 175.096 0.3 . 1 . . . . 108 S C . 17077 1 1145 . 1 1 111 111 SER CA C 13 58.097 0.3 . 1 . . . . 108 S CA . 17077 1 1146 . 1 1 111 111 SER CB C 13 65.190 0.3 . 1 . . . . 108 S CB . 17077 1 1147 . 1 1 111 111 SER N N 15 114.978 0.3 . 1 . . . . 108 S N . 17077 1 1148 . 1 1 112 112 LEU H H 1 8.763 0.03 . 1 . . . . 109 L HN . 17077 1 1149 . 1 1 112 112 LEU HA H 1 4.219 0.03 . 1 . . . . 109 L HA . 17077 1 1150 . 1 1 112 112 LEU HB2 H 1 1.470 0.03 . 2 . . . . 109 L HB1 . 17077 1 1151 . 1 1 112 112 LEU HB3 H 1 1.848 0.03 . 2 . . . . 109 L HB2 . 17077 1 1152 . 1 1 112 112 LEU HD11 H 1 0.809 0.03 . 2 . . . . 109 L HD11 . 17077 1 1153 . 1 1 112 112 LEU HD12 H 1 0.809 0.03 . 2 . . . . 109 L HD11 . 17077 1 1154 . 1 1 112 112 LEU HD13 H 1 0.809 0.03 . 2 . . . . 109 L HD11 . 17077 1 1155 . 1 1 112 112 LEU HD21 H 1 0.938 0.03 . 2 . . . . 109 L HD21 . 17077 1 1156 . 1 1 112 112 LEU HD22 H 1 0.938 0.03 . 2 . . . . 109 L HD21 . 17077 1 1157 . 1 1 112 112 LEU HD23 H 1 0.938 0.03 . 2 . . . . 109 L HD21 . 17077 1 1158 . 1 1 112 112 LEU HG H 1 1.850 0.03 . 1 . . . . 109 L HG . 17077 1 1159 . 1 1 112 112 LEU C C 13 179.012 0.3 . 1 . . . . 109 L C . 17077 1 1160 . 1 1 112 112 LEU CA C 13 58.145 0.3 . 1 . . . . 109 L CA . 17077 1 1161 . 1 1 112 112 LEU CB C 13 41.045 0.3 . 1 . . . . 109 L CB . 17077 1 1162 . 1 1 112 112 LEU CD1 C 13 22.629 0.3 . 1 . . . . 109 L CD1 . 17077 1 1163 . 1 1 112 112 LEU CD2 C 13 25.391 0.3 . 1 . . . . 109 L CD2 . 17077 1 1164 . 1 1 112 112 LEU CG C 13 26.768 0.3 . 1 . . . . 109 L CG . 17077 1 1165 . 1 1 112 112 LEU N N 15 120.724 0.3 . 1 . . . . 109 L N . 17077 1 1166 . 1 1 113 113 GLU H H 1 8.342 0.03 . 1 . . . . 110 E HN . 17077 1 1167 . 1 1 113 113 GLU HA H 1 4.106 0.03 . 1 . . . . 110 E HA . 17077 1 1168 . 1 1 113 113 GLU HB2 H 1 2.082 0.03 . 2 . . . . 110 E HB1 . 17077 1 1169 . 1 1 113 113 GLU HB3 H 1 1.993 0.03 . 2 . . . . 110 E HB2 . 17077 1 1170 . 1 1 113 113 GLU HG2 H 1 2.306 0.03 . 2 . . . . 110 E HG2 . 17077 1 1171 . 1 1 113 113 GLU C C 13 179.958 0.3 . 1 . . . . 110 E C . 17077 1 1172 . 1 1 113 113 GLU CA C 13 60.171 0.3 . 1 . . . . 110 E CA . 17077 1 1173 . 1 1 113 113 GLU CB C 13 29.120 0.3 . 1 . . . . 110 E CB . 17077 1 1174 . 1 1 113 113 GLU CG C 13 36.757 0.3 . 1 . . . . 110 E CG . 17077 1 1175 . 1 1 113 113 GLU N N 15 117.932 0.3 . 1 . . . . 110 E N . 17077 1 1176 . 1 1 114 114 VAL H H 1 7.676 0.03 . 1 . . . . 111 V HN . 17077 1 1177 . 1 1 114 114 VAL HA H 1 3.689 0.03 . 1 . . . . 111 V HA . 17077 1 1178 . 1 1 114 114 VAL HB H 1 2.230 0.03 . 1 . . . . 111 V HB . 17077 1 1179 . 1 1 114 114 VAL HG11 H 1 0.702 0.03 . 2 . . . . 111 V HG11 . 17077 1 1180 . 1 1 114 114 VAL HG12 H 1 0.702 0.03 . 2 . . . . 111 V HG11 . 17077 1 1181 . 1 1 114 114 VAL HG13 H 1 0.702 0.03 . 2 . . . . 111 V HG11 . 17077 1 1182 . 1 1 114 114 VAL HG21 H 1 1.046 0.03 . 2 . . . . 111 V HG21 . 17077 1 1183 . 1 1 114 114 VAL HG22 H 1 1.046 0.03 . 2 . . . . 111 V HG21 . 17077 1 1184 . 1 1 114 114 VAL HG23 H 1 1.046 0.03 . 2 . . . . 111 V HG21 . 17077 1 1185 . 1 1 114 114 VAL C C 13 178.518 0.3 . 1 . . . . 111 V C . 17077 1 1186 . 1 1 114 114 VAL CA C 13 66.693 0.3 . 1 . . . . 111 V CA . 17077 1 1187 . 1 1 114 114 VAL CB C 13 31.005 0.3 . 1 . . . . 111 V CB . 17077 1 1188 . 1 1 114 114 VAL CG1 C 13 20.566 0.3 . 1 . . . . 111 V CG1 . 17077 1 1189 . 1 1 114 114 VAL CG2 C 13 22.688 0.3 . 1 . . . . 111 V CG2 . 17077 1 1190 . 1 1 114 114 VAL N N 15 123.106 0.3 . 1 . . . . 111 V N . 17077 1 1191 . 1 1 115 115 PHE H H 1 8.263 0.03 . 1 . . . . 112 F HN . 17077 1 1192 . 1 1 115 115 PHE HA H 1 3.730 0.03 . 1 . . . . 112 F HA . 17077 1 1193 . 1 1 115 115 PHE HB2 H 1 3.140 0.03 . 2 . . . . 112 F HB1 . 17077 1 1194 . 1 1 115 115 PHE HB3 H 1 3.284 0.03 . 2 . . . . 112 F HB2 . 17077 1 1195 . 1 1 115 115 PHE HD1 H 1 7.066 0.03 . 3 . . . . 112 F HD1 . 17077 1 1196 . 1 1 115 115 PHE HE1 H 1 7.208 0.03 . 3 . . . . 112 F HE1 . 17077 1 1197 . 1 1 115 115 PHE HZ H 1 7.358 0.03 . 1 . . . . 112 F HZ . 17077 1 1198 . 1 1 115 115 PHE C C 13 179.686 0.3 . 1 . . . . 112 F C . 17077 1 1199 . 1 1 115 115 PHE CA C 13 63.162 0.3 . 1 . . . . 112 F CA . 17077 1 1200 . 1 1 115 115 PHE CB C 13 40.269 0.3 . 1 . . . . 112 F CB . 17077 1 1201 . 1 1 115 115 PHE CD1 C 13 131.438 0.3 . 3 . . . . 112 F CD1 . 17077 1 1202 . 1 1 115 115 PHE CE1 C 13 131.792 0.3 . 3 . . . . 112 F CE1 . 17077 1 1203 . 1 1 115 115 PHE N N 15 121.887 0.3 . 1 . . . . 112 F N . 17077 1 1204 . 1 1 116 116 ARG H H 1 8.748 0.03 . 1 . . . . 113 R HN . 17077 1 1205 . 1 1 116 116 ARG HA H 1 3.842 0.03 . 1 . . . . 113 R HA . 17077 1 1206 . 1 1 116 116 ARG HB2 H 1 1.835 0.03 . 2 . . . . 113 R HB1 . 17077 1 1207 . 1 1 116 116 ARG HB3 H 1 1.900 0.03 . 2 . . . . 113 R HB2 . 17077 1 1208 . 1 1 116 116 ARG HD2 H 1 3.224 0.03 . 2 . . . . 113 R HD1 . 17077 1 1209 . 1 1 116 116 ARG HD3 H 1 3.131 0.03 . 2 . . . . 113 R HD2 . 17077 1 1210 . 1 1 116 116 ARG HE H 1 8.987 0.03 . 1 . . . . 113 R HE . 17077 1 1211 . 1 1 116 116 ARG HG2 H 1 1.492 0.03 . 2 . . . . 113 R HG1 . 17077 1 1212 . 1 1 116 116 ARG HG3 H 1 2.100 0.03 . 2 . . . . 113 R HG2 . 17077 1 1213 . 1 1 116 116 ARG C C 13 179.761 0.3 . 1 . . . . 113 R C . 17077 1 1214 . 1 1 116 116 ARG CA C 13 61.471 0.3 . 1 . . . . 113 R CA . 17077 1 1215 . 1 1 116 116 ARG CB C 13 29.997 0.3 . 1 . . . . 113 R CB . 17077 1 1216 . 1 1 116 116 ARG CD C 13 43.347 0.3 . 1 . . . . 113 R CD . 17077 1 1217 . 1 1 116 116 ARG CG C 13 31.610 0.3 . 1 . . . . 113 R CG . 17077 1 1218 . 1 1 116 116 ARG N N 15 117.596 0.3 . 1 . . . . 113 R N . 17077 1 1219 . 1 1 116 116 ARG NE N 15 108.319 0.3 . 1 . . . . 113 R NE . 17077 1 1220 . 1 1 117 117 THR H H 1 8.262 0.03 . 1 . . . . 114 T HN . 17077 1 1221 . 1 1 117 117 THR HA H 1 3.966 0.03 . 1 . . . . 114 T HA . 17077 1 1222 . 1 1 117 117 THR HB H 1 4.438 0.03 . 1 . . . . 114 T HB . 17077 1 1223 . 1 1 117 117 THR HG21 H 1 1.196 0.03 . 1 . . . . 114 T HG21 . 17077 1 1224 . 1 1 117 117 THR HG22 H 1 1.196 0.03 . 1 . . . . 114 T HG21 . 17077 1 1225 . 1 1 117 117 THR HG23 H 1 1.196 0.03 . 1 . . . . 114 T HG21 . 17077 1 1226 . 1 1 117 117 THR C C 13 177.434 0.3 . 1 . . . . 114 T C . 17077 1 1227 . 1 1 117 117 THR CA C 13 66.977 0.3 . 1 . . . . 114 T CA . 17077 1 1228 . 1 1 117 117 THR CB C 13 68.480 0.3 . 1 . . . . 114 T CB . 17077 1 1229 . 1 1 117 117 THR CG2 C 13 21.390 0.3 . 1 . . . . 114 T CG2 . 17077 1 1230 . 1 1 117 117 THR N N 15 121.473 0.3 . 1 . . . . 114 T N . 17077 1 1231 . 1 1 118 118 VAL H H 1 8.650 0.03 . 1 . . . . 115 V HN . 17077 1 1232 . 1 1 118 118 VAL HA H 1 3.802 0.03 . 1 . . . . 115 V HA . 17077 1 1233 . 1 1 118 118 VAL HB H 1 1.866 0.03 . 1 . . . . 115 V HB . 17077 1 1234 . 1 1 118 118 VAL HG11 H 1 0.920 0.03 . 2 . . . . 115 V HG11 . 17077 1 1235 . 1 1 118 118 VAL HG12 H 1 0.920 0.03 . 2 . . . . 115 V HG11 . 17077 1 1236 . 1 1 118 118 VAL HG13 H 1 0.920 0.03 . 2 . . . . 115 V HG11 . 17077 1 1237 . 1 1 118 118 VAL HG21 H 1 0.894 0.03 . 2 . . . . 115 V HG21 . 17077 1 1238 . 1 1 118 118 VAL HG22 H 1 0.894 0.03 . 2 . . . . 115 V HG21 . 17077 1 1239 . 1 1 118 118 VAL HG23 H 1 0.894 0.03 . 2 . . . . 115 V HG21 . 17077 1 1240 . 1 1 118 118 VAL C C 13 177.634 0.3 . 1 . . . . 115 V C . 17077 1 1241 . 1 1 118 118 VAL CA C 13 67.053 0.3 . 1 . . . . 115 V CA . 17077 1 1242 . 1 1 118 118 VAL CB C 13 31.600 0.3 . 1 . . . . 115 V CB . 17077 1 1243 . 1 1 118 118 VAL CG1 C 13 21.213 0.3 . 1 . . . . 115 V CG1 . 17077 1 1244 . 1 1 118 118 VAL CG2 C 13 23.125 0.3 . 1 . . . . 115 V CG2 . 17077 1 1245 . 1 1 118 118 VAL N N 15 124.751 0.3 . 1 . . . . 115 V N . 17077 1 1246 . 1 1 119 119 ARG H H 1 8.795 0.03 . 1 . . . . 116 R HN . 17077 1 1247 . 1 1 119 119 ARG HA H 1 4.097 0.03 . 1 . . . . 116 R HA . 17077 1 1248 . 1 1 119 119 ARG HB2 H 1 2.500 0.03 . 2 . . . . 116 R HB1 . 17077 1 1249 . 1 1 119 119 ARG HB3 H 1 1.898 0.03 . 2 . . . . 116 R HB2 . 17077 1 1250 . 1 1 119 119 ARG HD2 H 1 2.778 0.03 . 2 . . . . 116 R HD1 . 17077 1 1251 . 1 1 119 119 ARG HD3 H 1 3.502 0.03 . 2 . . . . 116 R HD2 . 17077 1 1252 . 1 1 119 119 ARG HE H 1 8.575 0.03 . 1 . . . . 116 R HE . 17077 1 1253 . 1 1 119 119 ARG HG2 H 1 2.252 0.03 . 2 . . . . 116 R HG1 . 17077 1 1254 . 1 1 119 119 ARG HG3 H 1 1.906 0.03 . 2 . . . . 116 R HG2 . 17077 1 1255 . 1 1 119 119 ARG C C 13 177.987 0.3 . 1 . . . . 116 R C . 17077 1 1256 . 1 1 119 119 ARG CA C 13 60.667 0.3 . 1 . . . . 116 R CA . 17077 1 1257 . 1 1 119 119 ARG CB C 13 31.313 0.3 . 1 . . . . 116 R CB . 17077 1 1258 . 1 1 119 119 ARG CD C 13 44.472 0.3 . 1 . . . . 116 R CD . 17077 1 1259 . 1 1 119 119 ARG CG C 13 26.613 0.3 . 1 . . . . 116 R CG . 17077 1 1260 . 1 1 119 119 ARG N N 15 121.623 0.3 . 1 . . . . 116 R N . 17077 1 1261 . 1 1 120 120 GLY H H 1 7.944 0.03 . 1 . . . . 117 G HN . 17077 1 1262 . 1 1 120 120 GLY HA2 H 1 3.998 0.03 . 2 . . . . 117 G HA1 . 17077 1 1263 . 1 1 120 120 GLY HA3 H 1 3.842 0.03 . 2 . . . . 117 G HA2 . 17077 1 1264 . 1 1 120 120 GLY C C 13 176.896 0.3 . 1 . . . . 117 G C . 17077 1 1265 . 1 1 120 120 GLY CA C 13 47.267 0.3 . 1 . . . . 117 G CA . 17077 1 1266 . 1 1 120 120 GLY N N 15 104.836 0.3 . 1 . . . . 117 G N . 17077 1 1267 . 1 1 121 121 GLN H H 1 7.911 0.03 . 1 . . . . 118 Q HN . 17077 1 1268 . 1 1 121 121 GLN HA H 1 4.089 0.03 . 1 . . . . 118 Q HA . 17077 1 1269 . 1 1 121 121 GLN HB2 H 1 1.902 0.03 . 2 . . . . 118 Q HB1 . 17077 1 1270 . 1 1 121 121 GLN HB3 H 1 2.420 0.03 . 2 . . . . 118 Q HB2 . 17077 1 1271 . 1 1 121 121 GLN HE21 H 1 7.236 0.03 . 2 . . . . 118 Q HE21 . 17077 1 1272 . 1 1 121 121 GLN HE22 H 1 6.592 0.03 . 2 . . . . 118 Q HE22 . 17077 1 1273 . 1 1 121 121 GLN HG2 H 1 2.342 0.03 . 2 . . . . 118 Q HG1 . 17077 1 1274 . 1 1 121 121 GLN HG3 H 1 2.546 0.03 . 2 . . . . 118 Q HG2 . 17077 1 1275 . 1 1 121 121 GLN C C 13 179.483 0.3 . 1 . . . . 118 Q C . 17077 1 1276 . 1 1 121 121 GLN CA C 13 58.691 0.3 . 1 . . . . 118 Q CA . 17077 1 1277 . 1 1 121 121 GLN CB C 13 28.636 0.3 . 1 . . . . 118 Q CB . 17077 1 1278 . 1 1 121 121 GLN CG C 13 34.030 0.3 . 1 . . . . 118 Q CG . 17077 1 1279 . 1 1 121 121 GLN N N 15 123.568 0.3 . 1 . . . . 118 Q N . 17077 1 1280 . 1 1 121 121 GLN NE2 N 15 109.996 0.3 . 1 . . . . 118 Q NE2 . 17077 1 1281 . 1 1 122 122 VAL H H 1 8.870 0.03 . 1 . . . . 119 V HN . 17077 1 1282 . 1 1 122 122 VAL HA H 1 3.394 0.03 . 1 . . . . 119 V HA . 17077 1 1283 . 1 1 122 122 VAL HB H 1 2.447 0.03 . 1 . . . . 119 V HB . 17077 1 1284 . 1 1 122 122 VAL HG11 H 1 1.086 0.03 . 2 . . . . 119 V HG11 . 17077 1 1285 . 1 1 122 122 VAL HG12 H 1 1.086 0.03 . 2 . . . . 119 V HG11 . 17077 1 1286 . 1 1 122 122 VAL HG13 H 1 1.086 0.03 . 2 . . . . 119 V HG11 . 17077 1 1287 . 1 1 122 122 VAL HG21 H 1 1.202 0.03 . 2 . . . . 119 V HG21 . 17077 1 1288 . 1 1 122 122 VAL HG22 H 1 1.202 0.03 . 2 . . . . 119 V HG21 . 17077 1 1289 . 1 1 122 122 VAL HG23 H 1 1.202 0.03 . 2 . . . . 119 V HG21 . 17077 1 1290 . 1 1 122 122 VAL C C 13 176.876 0.3 . 1 . . . . 119 V C . 17077 1 1291 . 1 1 122 122 VAL CA C 13 67.268 0.3 . 1 . . . . 119 V CA . 17077 1 1292 . 1 1 122 122 VAL CB C 13 31.300 0.3 . 1 . . . . 119 V CB . 17077 1 1293 . 1 1 122 122 VAL CG1 C 13 22.712 0.3 . 1 . . . . 119 V CG1 . 17077 1 1294 . 1 1 122 122 VAL CG2 C 13 24.448 0.3 . 1 . . . . 119 V CG2 . 17077 1 1295 . 1 1 122 122 VAL N N 15 120.579 0.3 . 1 . . . . 119 V N . 17077 1 1296 . 1 1 123 123 LYS H H 1 8.016 0.03 . 1 . . . . 120 K HN . 17077 1 1297 . 1 1 123 123 LYS HA H 1 2.634 0.03 . 1 . . . . 120 K HA . 17077 1 1298 . 1 1 123 123 LYS HB2 H 1 1.462 0.03 . 2 . . . . 120 K HB1 . 17077 1 1299 . 1 1 123 123 LYS HB3 H 1 0.669 0.03 . 2 . . . . 120 K HB2 . 17077 1 1300 . 1 1 123 123 LYS HD2 H 1 1.446 0.03 . 2 . . . . 120 K HD1 . 17077 1 1301 . 1 1 123 123 LYS HD3 H 1 1.392 0.03 . 2 . . . . 120 K HD2 . 17077 1 1302 . 1 1 123 123 LYS HE2 H 1 2.800 0.03 . 2 . . . . 120 K HE1 . 17077 1 1303 . 1 1 123 123 LYS HE3 H 1 2.906 0.03 . 2 . . . . 120 K HE2 . 17077 1 1304 . 1 1 123 123 LYS HG2 H 1 0.336 0.03 . 2 . . . . 120 K HG1 . 17077 1 1305 . 1 1 123 123 LYS HG3 H 1 0.882 0.03 . 2 . . . . 120 K HG2 . 17077 1 1306 . 1 1 123 123 LYS C C 13 177.380 0.3 . 1 . . . . 120 K C . 17077 1 1307 . 1 1 123 123 LYS CA C 13 61.288 0.3 . 1 . . . . 120 K CA . 17077 1 1308 . 1 1 123 123 LYS CB C 13 31.743 0.3 . 1 . . . . 120 K CB . 17077 1 1309 . 1 1 123 123 LYS CD C 13 29.481 0.3 . 1 . . . . 120 K CD . 17077 1 1310 . 1 1 123 123 LYS CE C 13 42.209 0.3 . 1 . . . . 120 K CE . 17077 1 1311 . 1 1 123 123 LYS CG C 13 25.123 0.3 . 1 . . . . 120 K CG . 17077 1 1312 . 1 1 123 123 LYS N N 15 121.035 0.3 . 1 . . . . 120 K N . 17077 1 1313 . 1 1 124 124 GLU H H 1 7.475 0.03 . 1 . . . . 121 E HN . 17077 1 1314 . 1 1 124 124 GLU HA H 1 3.978 0.03 . 1 . . . . 121 E HA . 17077 1 1315 . 1 1 124 124 GLU HB2 H 1 1.919 0.03 . 2 . . . . 121 E HB1 . 17077 1 1316 . 1 1 124 124 GLU HB3 H 1 1.966 0.03 . 2 . . . . 121 E HB2 . 17077 1 1317 . 1 1 124 124 GLU HG2 H 1 2.268 0.03 . 2 . . . . 121 E HG1 . 17077 1 1318 . 1 1 124 124 GLU HG3 H 1 2.098 0.03 . 2 . . . . 121 E HG2 . 17077 1 1319 . 1 1 124 124 GLU C C 13 179.168 0.3 . 1 . . . . 121 E C . 17077 1 1320 . 1 1 124 124 GLU CA C 13 59.247 0.3 . 1 . . . . 121 E CA . 17077 1 1321 . 1 1 124 124 GLU CB C 13 29.628 0.3 . 1 . . . . 121 E CB . 17077 1 1322 . 1 1 124 124 GLU CG C 13 36.294 0.3 . 1 . . . . 121 E CG . 17077 1 1323 . 1 1 124 124 GLU N N 15 117.103 0.3 . 1 . . . . 121 E N . 17077 1 1324 . 1 1 125 125 ARG H H 1 7.597 0.03 . 1 . . . . 122 R HN . 17077 1 1325 . 1 1 125 125 ARG HA H 1 3.536 0.03 . 1 . . . . 122 R HA . 17077 1 1326 . 1 1 125 125 ARG HB2 H 1 1.140 0.03 . 2 . . . . 122 R HB2 . 17077 1 1327 . 1 1 125 125 ARG HD2 H 1 2.202 0.03 . 2 . . . . 122 R HD2 . 17077 1 1328 . 1 1 125 125 ARG HE H 1 6.758 0.03 . 1 . . . . 122 R HE . 17077 1 1329 . 1 1 125 125 ARG HG2 H 1 -0.514 0.03 . 2 . . . . 122 R HG1 . 17077 1 1330 . 1 1 125 125 ARG HG3 H 1 0.980 0.03 . 2 . . . . 122 R HG2 . 17077 1 1331 . 1 1 125 125 ARG C C 13 179.848 0.3 . 1 . . . . 122 R C . 17077 1 1332 . 1 1 125 125 ARG CA C 13 58.590 0.3 . 1 . . . . 122 R CA . 17077 1 1333 . 1 1 125 125 ARG CB C 13 27.340 0.3 . 1 . . . . 122 R CB . 17077 1 1334 . 1 1 125 125 ARG CD C 13 42.658 0.3 . 1 . . . . 122 R CD . 17077 1 1335 . 1 1 125 125 ARG CG C 13 27.702 0.3 . 1 . . . . 122 R CG . 17077 1 1336 . 1 1 125 125 ARG N N 15 118.646 0.3 . 1 . . . . 122 R N . 17077 1 1337 . 1 1 126 126 VAL H H 1 8.654 0.03 . 1 . . . . 123 V HN . 17077 1 1338 . 1 1 126 126 VAL HA H 1 3.800 0.03 . 1 . . . . 123 V HA . 17077 1 1339 . 1 1 126 126 VAL HB H 1 2.232 0.03 . 1 . . . . 123 V HB . 17077 1 1340 . 1 1 126 126 VAL HG11 H 1 1.409 0.03 . 2 . . . . 123 V HG11 . 17077 1 1341 . 1 1 126 126 VAL HG12 H 1 1.409 0.03 . 2 . . . . 123 V HG11 . 17077 1 1342 . 1 1 126 126 VAL HG13 H 1 1.409 0.03 . 2 . . . . 123 V HG11 . 17077 1 1343 . 1 1 126 126 VAL HG21 H 1 0.953 0.03 . 2 . . . . 123 V HG21 . 17077 1 1344 . 1 1 126 126 VAL HG22 H 1 0.953 0.03 . 2 . . . . 123 V HG21 . 17077 1 1345 . 1 1 126 126 VAL HG23 H 1 0.953 0.03 . 2 . . . . 123 V HG21 . 17077 1 1346 . 1 1 126 126 VAL C C 13 177.475 0.3 . 1 . . . . 123 V C . 17077 1 1347 . 1 1 126 126 VAL CA C 13 67.763 0.3 . 1 . . . . 123 V CA . 17077 1 1348 . 1 1 126 126 VAL CB C 13 30.758 0.3 . 1 . . . . 123 V CB . 17077 1 1349 . 1 1 126 126 VAL CG1 C 13 24.638 0.3 . 1 . . . . 123 V CG1 . 17077 1 1350 . 1 1 126 126 VAL CG2 C 13 22.157 0.3 . 1 . . . . 123 V CG2 . 17077 1 1351 . 1 1 126 126 VAL N N 15 122.190 0.3 . 1 . . . . 123 V N . 17077 1 1352 . 1 1 127 127 GLU H H 1 8.791 0.03 . 1 . . . . 124 E HN . 17077 1 1353 . 1 1 127 127 GLU HA H 1 3.790 0.03 . 1 . . . . 124 E HA . 17077 1 1354 . 1 1 127 127 GLU HB2 H 1 1.897 0.03 . 2 . . . . 124 E HB1 . 17077 1 1355 . 1 1 127 127 GLU HB3 H 1 2.180 0.03 . 2 . . . . 124 E HB2 . 17077 1 1356 . 1 1 127 127 GLU HG2 H 1 2.129 0.03 . 2 . . . . 124 E HG1 . 17077 1 1357 . 1 1 127 127 GLU HG3 H 1 2.362 0.03 . 2 . . . . 124 E HG2 . 17077 1 1358 . 1 1 127 127 GLU C C 13 179.990 0.3 . 1 . . . . 124 E C . 17077 1 1359 . 1 1 127 127 GLU CA C 13 60.739 0.3 . 1 . . . . 124 E CA . 17077 1 1360 . 1 1 127 127 GLU CB C 13 29.581 0.3 . 1 . . . . 124 E CB . 17077 1 1361 . 1 1 127 127 GLU CG C 13 37.754 0.3 . 1 . . . . 124 E CG . 17077 1 1362 . 1 1 127 127 GLU N N 15 121.289 0.3 . 1 . . . . 124 E N . 17077 1 1363 . 1 1 128 128 ASN H H 1 8.037 0.03 . 1 . . . . 125 N HN . 17077 1 1364 . 1 1 128 128 ASN HA H 1 4.406 0.03 . 1 . . . . 125 N HA . 17077 1 1365 . 1 1 128 128 ASN HB2 H 1 2.799 0.03 . 2 . . . . 125 N HB1 . 17077 1 1366 . 1 1 128 128 ASN HB3 H 1 2.698 0.03 . 2 . . . . 125 N HB2 . 17077 1 1367 . 1 1 128 128 ASN HD21 H 1 7.645 0.03 . 2 . . . . 125 N HD21 . 17077 1 1368 . 1 1 128 128 ASN HD22 H 1 6.998 0.03 . 2 . . . . 125 N HD22 . 17077 1 1369 . 1 1 128 128 ASN C C 13 177.116 0.3 . 1 . . . . 125 N C . 17077 1 1370 . 1 1 128 128 ASN CA C 13 56.208 0.3 . 1 . . . . 125 N CA . 17077 1 1371 . 1 1 128 128 ASN CB C 13 38.483 0.3 . 1 . . . . 125 N CB . 17077 1 1372 . 1 1 128 128 ASN N N 15 118.871 0.3 . 1 . . . . 125 N N . 17077 1 1373 . 1 1 128 128 ASN ND2 N 15 113.442 0.3 . 1 . . . . 125 N ND2 . 17077 1 1374 . 1 1 129 129 LEU H H 1 8.130 0.03 . 1 . . . . 126 L HN . 17077 1 1375 . 1 1 129 129 LEU HA H 1 4.266 0.03 . 1 . . . . 126 L HA . 17077 1 1376 . 1 1 129 129 LEU HB2 H 1 2.042 0.03 . 2 . . . . 126 L HB1 . 17077 1 1377 . 1 1 129 129 LEU HB3 H 1 2.462 0.03 . 2 . . . . 126 L HB2 . 17077 1 1378 . 1 1 129 129 LEU HD11 H 1 1.060 0.03 . 2 . . . . 126 L HD11 . 17077 1 1379 . 1 1 129 129 LEU HD12 H 1 1.060 0.03 . 2 . . . . 126 L HD11 . 17077 1 1380 . 1 1 129 129 LEU HD13 H 1 1.060 0.03 . 2 . . . . 126 L HD11 . 17077 1 1381 . 1 1 129 129 LEU HD21 H 1 1.040 0.03 . 2 . . . . 126 L HD21 . 17077 1 1382 . 1 1 129 129 LEU HD22 H 1 1.040 0.03 . 2 . . . . 126 L HD21 . 17077 1 1383 . 1 1 129 129 LEU HD23 H 1 1.040 0.03 . 2 . . . . 126 L HD21 . 17077 1 1384 . 1 1 129 129 LEU HG H 1 1.560 0.03 . 1 . . . . 126 L HG . 17077 1 1385 . 1 1 129 129 LEU C C 13 178.357 0.3 . 1 . . . . 126 L C . 17077 1 1386 . 1 1 129 129 LEU CA C 13 58.319 0.3 . 1 . . . . 126 L CA . 17077 1 1387 . 1 1 129 129 LEU CB C 13 42.155 0.3 . 1 . . . . 126 L CB . 17077 1 1388 . 1 1 129 129 LEU CD1 C 13 23.087 0.3 . 1 . . . . 126 L CD1 . 17077 1 1389 . 1 1 129 129 LEU CD2 C 13 26.126 0.3 . 1 . . . . 126 L CD2 . 17077 1 1390 . 1 1 129 129 LEU CG C 13 27.535 0.3 . 1 . . . . 126 L CG . 17077 1 1391 . 1 1 129 129 LEU N N 15 123.008 0.3 . 1 . . . . 126 L N . 17077 1 1392 . 1 1 130 130 ILE H H 1 8.499 0.03 . 1 . . . . 127 I HN . 17077 1 1393 . 1 1 130 130 ILE HA H 1 3.418 0.03 . 1 . . . . 127 I HA . 17077 1 1394 . 1 1 130 130 ILE HB H 1 1.880 0.03 . 1 . . . . 127 I HB . 17077 1 1395 . 1 1 130 130 ILE HD11 H 1 0.752 0.03 . 1 . . . . 127 I HD11 . 17077 1 1396 . 1 1 130 130 ILE HD12 H 1 0.752 0.03 . 1 . . . . 127 I HD11 . 17077 1 1397 . 1 1 130 130 ILE HD13 H 1 0.752 0.03 . 1 . . . . 127 I HD11 . 17077 1 1398 . 1 1 130 130 ILE HG12 H 1 1.882 0.03 . 1 . . . . 127 I HG11 . 17077 1 1399 . 1 1 130 130 ILE HG13 H 1 0.978 0.03 . 1 . . . . 127 I HG12 . 17077 1 1400 . 1 1 130 130 ILE HG21 H 1 0.882 0.03 . 1 . . . . 127 I HG21 . 17077 1 1401 . 1 1 130 130 ILE HG22 H 1 0.882 0.03 . 1 . . . . 127 I HG21 . 17077 1 1402 . 1 1 130 130 ILE HG23 H 1 0.882 0.03 . 1 . . . . 127 I HG21 . 17077 1 1403 . 1 1 130 130 ILE C C 13 178.357 0.3 . 1 . . . . 127 I C . 17077 1 1404 . 1 1 130 130 ILE CA C 13 65.611 0.3 . 1 . . . . 127 I CA . 17077 1 1405 . 1 1 130 130 ILE CB C 13 37.792 0.3 . 1 . . . . 127 I CB . 17077 1 1406 . 1 1 130 130 ILE CD1 C 13 14.603 0.3 . 1 . . . . 127 I CD1 . 17077 1 1407 . 1 1 130 130 ILE CG1 C 13 30.737 0.3 . 1 . . . . 127 I CG1 . 17077 1 1408 . 1 1 130 130 ILE CG2 C 13 17.631 0.3 . 1 . . . . 127 I CG2 . 17077 1 1409 . 1 1 130 130 ILE N N 15 118.236 0.3 . 1 . . . . 127 I N . 17077 1 1410 . 1 1 131 131 ALA H H 1 7.700 0.03 . 1 . . . . 128 A HN . 17077 1 1411 . 1 1 131 131 ALA HA H 1 4.172 0.03 . 1 . . . . 128 A HA . 17077 1 1412 . 1 1 131 131 ALA HB1 H 1 1.520 0.03 . 1 . . . . 128 A HB1 . 17077 1 1413 . 1 1 131 131 ALA HB2 H 1 1.520 0.03 . 1 . . . . 128 A HB1 . 17077 1 1414 . 1 1 131 131 ALA HB3 H 1 1.520 0.03 . 1 . . . . 128 A HB1 . 17077 1 1415 . 1 1 131 131 ALA C C 13 179.331 0.3 . 1 . . . . 128 A C . 17077 1 1416 . 1 1 131 131 ALA CA C 13 54.779 0.3 . 1 . . . . 128 A CA . 17077 1 1417 . 1 1 131 131 ALA CB C 13 18.228 0.3 . 1 . . . . 128 A CB . 17077 1 1418 . 1 1 131 131 ALA N N 15 121.429 0.3 . 1 . . . . 128 A N . 17077 1 1419 . 1 1 132 132 LYS H H 1 7.727 0.03 . 1 . . . . 129 K HN . 17077 1 1420 . 1 1 132 132 LYS HA H 1 4.328 0.03 . 1 . . . . 129 K HA . 17077 1 1421 . 1 1 132 132 LYS HB2 H 1 2.062 0.03 . 2 . . . . 129 K HB1 . 17077 1 1422 . 1 1 132 132 LYS HB3 H 1 2.029 0.03 . 2 . . . . 129 K HB2 . 17077 1 1423 . 1 1 132 132 LYS HD2 H 1 1.716 0.03 . 2 . . . . 129 K HD2 . 17077 1 1424 . 1 1 132 132 LYS HE2 H 1 2.942 0.03 . 2 . . . . 129 K HE2 . 17077 1 1425 . 1 1 132 132 LYS HG2 H 1 1.586 0.03 . 2 . . . . 129 K HG2 . 17077 1 1426 . 1 1 132 132 LYS C C 13 178.554 0.3 . 1 . . . . 129 K C . 17077 1 1427 . 1 1 132 132 LYS CA C 13 57.974 0.3 . 1 . . . . 129 K CA . 17077 1 1428 . 1 1 132 132 LYS CB C 13 33.366 0.3 . 1 . . . . 129 K CB . 17077 1 1429 . 1 1 132 132 LYS CD C 13 29.791 0.3 . 1 . . . . 129 K CD . 17077 1 1430 . 1 1 132 132 LYS CE C 13 42.063 0.3 . 1 . . . . 129 K CE . 17077 1 1431 . 1 1 132 132 LYS CG C 13 25.062 0.3 . 1 . . . . 129 K CG . 17077 1 1432 . 1 1 132 132 LYS N N 15 117.157 0.3 . 1 . . . . 129 K N . 17077 1 1433 . 1 1 133 133 ILE H H 1 7.598 0.03 . 1 . . . . 130 I HN . 17077 1 1434 . 1 1 133 133 ILE HA H 1 4.569 0.03 . 1 . . . . 130 I HA . 17077 1 1435 . 1 1 133 133 ILE HB H 1 2.114 0.03 . 1 . . . . 130 I HB . 17077 1 1436 . 1 1 133 133 ILE HD11 H 1 0.676 0.03 . 1 . . . . 130 I HD11 . 17077 1 1437 . 1 1 133 133 ILE HD12 H 1 0.676 0.03 . 1 . . . . 130 I HD11 . 17077 1 1438 . 1 1 133 133 ILE HD13 H 1 0.676 0.03 . 1 . . . . 130 I HD11 . 17077 1 1439 . 1 1 133 133 ILE HG12 H 1 1.322 0.03 . 1 . . . . 130 I HG11 . 17077 1 1440 . 1 1 133 133 ILE HG13 H 1 1.512 0.03 . 1 . . . . 130 I HG12 . 17077 1 1441 . 1 1 133 133 ILE HG21 H 1 0.876 0.03 . 1 . . . . 130 I HG21 . 17077 1 1442 . 1 1 133 133 ILE HG22 H 1 0.876 0.03 . 1 . . . . 130 I HG21 . 17077 1 1443 . 1 1 133 133 ILE HG23 H 1 0.876 0.03 . 1 . . . . 130 I HG21 . 17077 1 1444 . 1 1 133 133 ILE C C 13 175.134 0.3 . 1 . . . . 130 I C . 17077 1 1445 . 1 1 133 133 ILE CA C 13 61.337 0.3 . 1 . . . . 130 I CA . 17077 1 1446 . 1 1 133 133 ILE CB C 13 38.659 0.3 . 1 . . . . 130 I CB . 17077 1 1447 . 1 1 133 133 ILE CD1 C 13 14.734 0.3 . 1 . . . . 130 I CD1 . 17077 1 1448 . 1 1 133 133 ILE CG1 C 13 25.414 0.3 . 1 . . . . 130 I CG1 . 17077 1 1449 . 1 1 133 133 ILE CG2 C 13 17.438 0.3 . 1 . . . . 130 I CG2 . 17077 1 1450 . 1 1 133 133 ILE N N 15 112.588 0.3 . 1 . . . . 130 I N . 17077 1 1451 . 1 1 134 134 SER H H 1 7.547 0.03 . 1 . . . . 131 S HN . 17077 1 1452 . 1 1 134 134 SER HA H 1 4.364 0.03 . 1 . . . . 131 S HA . 17077 1 1453 . 1 1 134 134 SER HB2 H 1 3.812 0.03 . 2 . . . . 131 S HB1 . 17077 1 1454 . 1 1 134 134 SER HB3 H 1 3.949 0.03 . 2 . . . . 131 S HB2 . 17077 1 1455 . 1 1 134 134 SER C C 13 178.369 0.3 . 1 . . . . 131 S C . 17077 1 1456 . 1 1 134 134 SER CA C 13 60.758 0.3 . 1 . . . . 131 S CA . 17077 1 1457 . 1 1 134 134 SER CB C 13 65.578 0.3 . 1 . . . . 131 S CB . 17077 1 1458 . 1 1 134 134 SER N N 15 124.249 0.3 . 1 . . . . 131 S N . 17077 1 stop_ save_