data_19530 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19530 _Entry.Title ; Resonance assignment of RQC domain of human Bloom syndrome protein ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2013-09-25 _Entry.Accession_date 2013-09-26 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1.1.44 _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 Junsang Ko . . . 19530 2 Kyoung-Seok Ryu . . . 19530 3 Byong-Seok Choi . . . 19530 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19530 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 796 19530 '13C chemical shifts' 324 19530 '15N chemical shifts' 120 19530 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 3 . . 2014-12-04 2013-09-25 update BMRB 'update polymer type, etc.' 19530 2 . . 2014-04-24 2013-09-25 update BMRB 'update entry citation' 19530 1 . . 2014-04-16 2013-09-25 original author 'original release' 19530 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2MH9 'Resonance assignment of RQC domain of human Bloom syndrome protein' 19530 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 19530 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.1007/s10858-014-9812-8 _Citation.PubMed_ID 24435566 _Citation.Full_citation . _Citation.Title 'Solution structure of the RecQ C-terminal domain of human Bloom syndrome protein.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full 'Journal of biomolecular NMR' _Citation.Journal_volume 58 _Citation.Journal_issue 2 _Citation.Journal_ASTM JBNME9 _Citation.Journal_ISSN 0925-2738 _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 141 _Citation.Page_last 147 _Citation.Year 2014 _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 Chin-Ju Park . . . 19530 1 2 Junsang Ko . . . 19530 1 3 Kyoung-Seok Ryu . . . 19530 1 4 Byong-Seok Choi . . . 19530 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19530 _Assembly.ID 1 _Assembly.Name 'BLM RQC' _Assembly.BMRB_code . _Assembly.Number_of_components . _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 16089.5 _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 'BLM RQC' 1 $BLM_RQC A . yes native no no . 'DNA binding domain' . 19530 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_BLM_RQC _Entity.Sf_category entity _Entity.Sf_framecode BLM_RQC _Entity.Entry_ID 19530 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name BLM_RQC _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 ; CKTKDYKTRDVTDDVKSIVR FVQEHSSSQGMRNIKHVGPS GRFTMNMLVDIFLGSKSAKI QSGIFGKGSAYSRHNAERLF KKLILDKILDEDLYINANDQ AIAYVMLGNKAQTVLNGNLK VDFMETENSSSVKKQKALVA KVSQ ; _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 144 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 16089.5 _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 yes GB "NP_000048 .1" . BLM . . . . . . . . . . . . . . 19530 1 2 no PDB 2MH9 . "Resonance Assignment Of Rqc Domain Of Human Bloom Syndrome Protein" . . . . . 100.00 144 100.00 100.00 2.37e-99 . . . . 19530 1 3 no PDB 3WE2 . "Structure Of Blm Rqc Domain Bound To A Phosphate Ion" . . . . . 99.31 147 99.30 99.30 7.58e-97 . . . . 19530 1 4 no PDB 3WE3 . "Structure Of Blm Rqc Domain Bound To An Arsenate Ion" . . . . . 99.31 147 99.30 99.30 7.58e-97 . . . . 19530 1 5 no PDB 4CDG . "Crystal Structure Of The Bloom's Syndrome Helicase Blm In Complex With Nanobody" . . . . . 100.00 673 100.00 100.00 1.12e-92 . . . . 19530 1 6 no PDB 4CGZ . "Crystal Structure Of The Bloom's Syndrome Helicase Blm In Complex With Dna" . . . . . 100.00 665 100.00 100.00 8.75e-93 . . . . 19530 1 7 no PDB 4O3M . "Ternary Complex Of Bloom's Syndrome Helicase" . . . . . 100.00 659 100.00 100.00 8.07e-93 . . . . 19530 1 8 no DBJ BAG36927 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 1417 100.00 100.00 2.64e-90 . . . . 19530 1 9 no DBJ BAH12008 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 1047 100.00 100.00 1.09e-90 . . . . 19530 1 10 no DBJ BAH13907 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 519 100.00 100.00 2.38e-94 . . . . 19530 1 11 no GB AAA87850 . "Bloom's syndrome protein [Homo sapiens]" . . . . . 100.00 1417 100.00 100.00 2.51e-90 . . . . 19530 1 12 no GB AAH93622 . "Bloom syndrome [Homo sapiens]" . . . . . 100.00 1417 100.00 100.00 2.51e-90 . . . . 19530 1 13 no GB AAI01568 . "Bloom syndrome [Homo sapiens]" . . . . . 100.00 1417 100.00 100.00 2.51e-90 . . . . 19530 1 14 no GB AAI15031 . "Bloom syndrome [Homo sapiens]" . . . . . 100.00 1417 100.00 100.00 2.51e-90 . . . . 19530 1 15 no GB AAI15033 . "Bloom syndrome [Homo sapiens]" . . . . . 100.00 1417 100.00 100.00 2.51e-90 . . . . 19530 1 16 no REF NP_000048 . "Bloom syndrome protein isoform 1 [Homo sapiens]" . . . . . 100.00 1417 100.00 100.00 2.51e-90 . . . . 19530 1 17 no REF NP_001274175 . "Bloom syndrome protein isoform 1 [Homo sapiens]" . . . . . 100.00 1417 100.00 100.00 2.51e-90 . . . . 19530 1 18 no REF NP_001274177 . "Bloom syndrome protein isoform 3 [Homo sapiens]" . . . . . 100.00 1042 100.00 100.00 1.20e-90 . . . . 19530 1 19 no REF XP_001097543 . "PREDICTED: Bloom syndrome protein [Macaca mulatta]" . . . . . 100.00 1416 98.61 100.00 6.73e-90 . . . . 19530 1 20 no REF XP_003268551 . "PREDICTED: LOW QUALITY PROTEIN: Bloom syndrome protein [Nomascus leucogenys]" . . . . . 100.00 1417 97.92 99.31 5.57e-89 . . . . 19530 1 21 no SP P54132 . "RecName: Full=Bloom syndrome protein; AltName: Full=DNA helicase, RecQ-like type 2; Short=RecQ2; AltName: Full=RecQ protein-lik" . . . . . 100.00 1417 100.00 100.00 2.51e-90 . . . . 19530 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'maintaining genomic integrity, DNA helicase' 19530 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 1 CYS . 19530 1 2 2 LYS . 19530 1 3 3 THR . 19530 1 4 4 LYS . 19530 1 5 5 ASP . 19530 1 6 6 TYR . 19530 1 7 7 LYS . 19530 1 8 8 THR . 19530 1 9 9 ARG . 19530 1 10 10 ASP . 19530 1 11 11 VAL . 19530 1 12 12 THR . 19530 1 13 13 ASP . 19530 1 14 14 ASP . 19530 1 15 15 VAL . 19530 1 16 16 LYS . 19530 1 17 17 SER . 19530 1 18 18 ILE . 19530 1 19 19 VAL . 19530 1 20 20 ARG . 19530 1 21 21 PHE . 19530 1 22 22 VAL . 19530 1 23 23 GLN . 19530 1 24 24 GLU . 19530 1 25 25 HIS . 19530 1 26 26 SER . 19530 1 27 27 SER . 19530 1 28 28 SER . 19530 1 29 29 GLN . 19530 1 30 30 GLY . 19530 1 31 31 MET . 19530 1 32 32 ARG . 19530 1 33 33 ASN . 19530 1 34 34 ILE . 19530 1 35 35 LYS . 19530 1 36 36 HIS . 19530 1 37 37 VAL . 19530 1 38 38 GLY . 19530 1 39 39 PRO . 19530 1 40 40 SER . 19530 1 41 41 GLY . 19530 1 42 42 ARG . 19530 1 43 43 PHE . 19530 1 44 44 THR . 19530 1 45 45 MET . 19530 1 46 46 ASN . 19530 1 47 47 MET . 19530 1 48 48 LEU . 19530 1 49 49 VAL . 19530 1 50 50 ASP . 19530 1 51 51 ILE . 19530 1 52 52 PHE . 19530 1 53 53 LEU . 19530 1 54 54 GLY . 19530 1 55 55 SER . 19530 1 56 56 LYS . 19530 1 57 57 SER . 19530 1 58 58 ALA . 19530 1 59 59 LYS . 19530 1 60 60 ILE . 19530 1 61 61 GLN . 19530 1 62 62 SER . 19530 1 63 63 GLY . 19530 1 64 64 ILE . 19530 1 65 65 PHE . 19530 1 66 66 GLY . 19530 1 67 67 LYS . 19530 1 68 68 GLY . 19530 1 69 69 SER . 19530 1 70 70 ALA . 19530 1 71 71 TYR . 19530 1 72 72 SER . 19530 1 73 73 ARG . 19530 1 74 74 HIS . 19530 1 75 75 ASN . 19530 1 76 76 ALA . 19530 1 77 77 GLU . 19530 1 78 78 ARG . 19530 1 79 79 LEU . 19530 1 80 80 PHE . 19530 1 81 81 LYS . 19530 1 82 82 LYS . 19530 1 83 83 LEU . 19530 1 84 84 ILE . 19530 1 85 85 LEU . 19530 1 86 86 ASP . 19530 1 87 87 LYS . 19530 1 88 88 ILE . 19530 1 89 89 LEU . 19530 1 90 90 ASP . 19530 1 91 91 GLU . 19530 1 92 92 ASP . 19530 1 93 93 LEU . 19530 1 94 94 TYR . 19530 1 95 95 ILE . 19530 1 96 96 ASN . 19530 1 97 97 ALA . 19530 1 98 98 ASN . 19530 1 99 99 ASP . 19530 1 100 100 GLN . 19530 1 101 101 ALA . 19530 1 102 102 ILE . 19530 1 103 103 ALA . 19530 1 104 104 TYR . 19530 1 105 105 VAL . 19530 1 106 106 MET . 19530 1 107 107 LEU . 19530 1 108 108 GLY . 19530 1 109 109 ASN . 19530 1 110 110 LYS . 19530 1 111 111 ALA . 19530 1 112 112 GLN . 19530 1 113 113 THR . 19530 1 114 114 VAL . 19530 1 115 115 LEU . 19530 1 116 116 ASN . 19530 1 117 117 GLY . 19530 1 118 118 ASN . 19530 1 119 119 LEU . 19530 1 120 120 LYS . 19530 1 121 121 VAL . 19530 1 122 122 ASP . 19530 1 123 123 PHE . 19530 1 124 124 MET . 19530 1 125 125 GLU . 19530 1 126 126 THR . 19530 1 127 127 GLU . 19530 1 128 128 ASN . 19530 1 129 129 SER . 19530 1 130 130 SER . 19530 1 131 131 SER . 19530 1 132 132 VAL . 19530 1 133 133 LYS . 19530 1 134 134 LYS . 19530 1 135 135 GLN . 19530 1 136 136 LYS . 19530 1 137 137 ALA . 19530 1 138 138 LEU . 19530 1 139 139 VAL . 19530 1 140 140 ALA . 19530 1 141 141 LYS . 19530 1 142 142 VAL . 19530 1 143 143 SER . 19530 1 144 144 GLN . 19530 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 . CYS 1 1 19530 1 . LYS 2 2 19530 1 . THR 3 3 19530 1 . LYS 4 4 19530 1 . ASP 5 5 19530 1 . TYR 6 6 19530 1 . LYS 7 7 19530 1 . THR 8 8 19530 1 . ARG 9 9 19530 1 . ASP 10 10 19530 1 . VAL 11 11 19530 1 . THR 12 12 19530 1 . ASP 13 13 19530 1 . ASP 14 14 19530 1 . VAL 15 15 19530 1 . LYS 16 16 19530 1 . SER 17 17 19530 1 . ILE 18 18 19530 1 . VAL 19 19 19530 1 . ARG 20 20 19530 1 . PHE 21 21 19530 1 . VAL 22 22 19530 1 . GLN 23 23 19530 1 . GLU 24 24 19530 1 . HIS 25 25 19530 1 . SER 26 26 19530 1 . SER 27 27 19530 1 . SER 28 28 19530 1 . GLN 29 29 19530 1 . GLY 30 30 19530 1 . MET 31 31 19530 1 . ARG 32 32 19530 1 . ASN 33 33 19530 1 . ILE 34 34 19530 1 . LYS 35 35 19530 1 . HIS 36 36 19530 1 . VAL 37 37 19530 1 . GLY 38 38 19530 1 . PRO 39 39 19530 1 . SER 40 40 19530 1 . GLY 41 41 19530 1 . ARG 42 42 19530 1 . PHE 43 43 19530 1 . THR 44 44 19530 1 . MET 45 45 19530 1 . ASN 46 46 19530 1 . MET 47 47 19530 1 . LEU 48 48 19530 1 . VAL 49 49 19530 1 . ASP 50 50 19530 1 . ILE 51 51 19530 1 . PHE 52 52 19530 1 . LEU 53 53 19530 1 . GLY 54 54 19530 1 . SER 55 55 19530 1 . LYS 56 56 19530 1 . SER 57 57 19530 1 . ALA 58 58 19530 1 . LYS 59 59 19530 1 . ILE 60 60 19530 1 . GLN 61 61 19530 1 . SER 62 62 19530 1 . GLY 63 63 19530 1 . ILE 64 64 19530 1 . PHE 65 65 19530 1 . GLY 66 66 19530 1 . LYS 67 67 19530 1 . GLY 68 68 19530 1 . SER 69 69 19530 1 . ALA 70 70 19530 1 . TYR 71 71 19530 1 . SER 72 72 19530 1 . ARG 73 73 19530 1 . HIS 74 74 19530 1 . ASN 75 75 19530 1 . ALA 76 76 19530 1 . GLU 77 77 19530 1 . ARG 78 78 19530 1 . LEU 79 79 19530 1 . PHE 80 80 19530 1 . LYS 81 81 19530 1 . LYS 82 82 19530 1 . LEU 83 83 19530 1 . ILE 84 84 19530 1 . LEU 85 85 19530 1 . ASP 86 86 19530 1 . LYS 87 87 19530 1 . ILE 88 88 19530 1 . LEU 89 89 19530 1 . ASP 90 90 19530 1 . GLU 91 91 19530 1 . ASP 92 92 19530 1 . LEU 93 93 19530 1 . TYR 94 94 19530 1 . ILE 95 95 19530 1 . ASN 96 96 19530 1 . ALA 97 97 19530 1 . ASN 98 98 19530 1 . ASP 99 99 19530 1 . GLN 100 100 19530 1 . ALA 101 101 19530 1 . ILE 102 102 19530 1 . ALA 103 103 19530 1 . TYR 104 104 19530 1 . VAL 105 105 19530 1 . MET 106 106 19530 1 . LEU 107 107 19530 1 . GLY 108 108 19530 1 . ASN 109 109 19530 1 . LYS 110 110 19530 1 . ALA 111 111 19530 1 . GLN 112 112 19530 1 . THR 113 113 19530 1 . VAL 114 114 19530 1 . LEU 115 115 19530 1 . ASN 116 116 19530 1 . GLY 117 117 19530 1 . ASN 118 118 19530 1 . LEU 119 119 19530 1 . LYS 120 120 19530 1 . VAL 121 121 19530 1 . ASP 122 122 19530 1 . PHE 123 123 19530 1 . MET 124 124 19530 1 . GLU 125 125 19530 1 . THR 126 126 19530 1 . GLU 127 127 19530 1 . ASN 128 128 19530 1 . SER 129 129 19530 1 . SER 130 130 19530 1 . SER 131 131 19530 1 . VAL 132 132 19530 1 . LYS 133 133 19530 1 . LYS 134 134 19530 1 . GLN 135 135 19530 1 . LYS 136 136 19530 1 . ALA 137 137 19530 1 . LEU 138 138 19530 1 . VAL 139 139 19530 1 . ALA 140 140 19530 1 . LYS 141 141 19530 1 . VAL 142 142 19530 1 . SER 143 143 19530 1 . GLN 144 144 19530 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 19530 _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 $BLM_RQC . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 19530 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 19530 _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 $BLM_RQC . 'recombinant technology' 'Escherichia coli' 'E. coli' . 562 Escherichia coli BL21(DE3) . . . . . . . . . . . . . . . pET15b . . . . . . 19530 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19530 _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 'BLM RQC' '[U-99% 13C; U-99% 15N]' . . 1 $BLM_RQC . protein 0.8 . . mM . . . . 19530 1 2 H2O 'natural abundance' . . . . . solvent 90 . . % . . . . 19530 1 3 D2O 'natural abundance' . . . . . solvent 10 . . % . . . . 19530 1 4 DTT 'natural abundance' . . . . . buffer 1 . . mM . . . . 19530 1 5 Tris 'natural abundance' . . . . . buffer 20 . . mM . . . . 19530 1 6 'Sodium Chloride' 'natural abundance' . . . . . salt 100 . . mM . . . . 19530 1 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 19530 _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 19530 1 pH 7 . pH 19530 1 pressure 1 . atm 19530 1 temperature 300 . K 19530 1 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 19530 _Software.ID 1 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 19530 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 19530 1 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 19530 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'equipped with a cryoprobe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 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 19530 _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 . 900 'equipped with a cryoprobe' . . 19530 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 19530 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19530 1 2 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19530 1 3 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19530 1 4 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19530 1 5 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19530 1 6 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19530 1 7 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19530 1 8 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19530 1 9 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19530 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 19530 _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 . . . . . . . . . 19530 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 19530 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 19530 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 19530 _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 . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D CBCA(CO)NH' 1 $sample_1 isotropic 19530 1 2 '3D HNCACB' 1 $sample_1 isotropic 19530 1 3 '3D HNCO' 1 $sample_1 isotropic 19530 1 4 '3D HBHA(CO)NH' 1 $sample_1 isotropic 19530 1 5 '3D HCCH-TOCSY' 1 $sample_1 isotropic 19530 1 6 '3D 1H-15N NOESY' 1 $sample_1 isotropic 19530 1 7 '3D 1H-13C NOESY' 1 $sample_1 isotropic 19530 1 8 '3D 1H-13C NOESY aromatic' 1 $sample_1 isotropic 19530 1 9 '3D C(CO)NH' 1 $sample_1 isotropic 19530 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 3 3 THR HA H 1 4.188 0.005 . . . . . A 3 THR HA . 19530 1 2 . 1 1 3 3 THR HB H 1 4.119 0.008 . . . . . A 3 THR HB . 19530 1 3 . 1 1 3 3 THR HG21 H 1 1.101 0.005 . . . . . A 3 THR HG21 . 19530 1 4 . 1 1 3 3 THR HG22 H 1 1.101 0.005 . . . . . A 3 THR HG22 . 19530 1 5 . 1 1 3 3 THR HG23 H 1 1.101 0.005 . . . . . A 3 THR HG23 . 19530 1 6 . 1 1 3 3 THR CA C 13 59.278 0.004 . . . . . A 3 THR CA . 19530 1 7 . 1 1 3 3 THR CB C 13 67.082 0.010 . . . . . A 3 THR CB . 19530 1 8 . 1 1 3 3 THR CG2 C 13 18.964 0.010 . . . . . A 3 THR CG2 . 19530 1 9 . 1 1 4 4 LYS H H 1 8.181 0.014 . . . . . A 4 LYS H . 19530 1 10 . 1 1 4 4 LYS HA H 1 4.145 0.01 . . . . . A 4 LYS HA . 19530 1 11 . 1 1 4 4 LYS HB2 H 1 1.557 0.01 . . . . . A 4 LYS HB2 . 19530 1 12 . 1 1 4 4 LYS HB3 H 1 1.557 0.01 . . . . . A 4 LYS HB3 . 19530 1 13 . 1 1 4 4 LYS HG2 H 1 1.233 0.006 . . . . . A 4 LYS HG2 . 19530 1 14 . 1 1 4 4 LYS HG3 H 1 1.233 0.006 . . . . . A 4 LYS HG3 . 19530 1 15 . 1 1 4 4 LYS HE2 H 1 2.889 0.001 . . . . . A 4 LYS HE2 . 19530 1 16 . 1 1 4 4 LYS HE3 H 1 2.889 0.001 . . . . . A 4 LYS HE3 . 19530 1 17 . 1 1 4 4 LYS CA C 13 53.696 0.010 . . . . . A 4 LYS CA . 19530 1 18 . 1 1 4 4 LYS CB C 13 30.34 0.011 . . . . . A 4 LYS CB . 19530 1 19 . 1 1 4 4 LYS CG C 13 22.042 0.010 . . . . . A 4 LYS CG . 19530 1 20 . 1 1 4 4 LYS CE C 13 39.486 0.036 . . . . . A 4 LYS CE . 19530 1 21 . 1 1 4 4 LYS N N 15 123.064 0.010 . . . . . A 4 LYS N . 19530 1 22 . 1 1 5 5 ASP H H 1 8.093 0.004 . . . . . A 5 ASP H . 19530 1 23 . 1 1 5 5 ASP HA H 1 4.476 0.006 . . . . . A 5 ASP HA . 19530 1 24 . 1 1 5 5 ASP HB2 H 1 2.521 0.006 . . . . . A 5 ASP HB2 . 19530 1 25 . 1 1 5 5 ASP HB3 H 1 2.429 0.015 . . . . . A 5 ASP HB3 . 19530 1 26 . 1 1 5 5 ASP CA C 13 51.262 0.037 . . . . . A 5 ASP CA . 19530 1 27 . 1 1 5 5 ASP CB C 13 38.544 0.039 . . . . . A 5 ASP CB . 19530 1 28 . 1 1 5 5 ASP N N 15 121.107 0.025 . . . . . A 5 ASP N . 19530 1 29 . 1 1 6 6 TYR H H 1 7.836 0.006 . . . . . A 6 TYR H . 19530 1 30 . 1 1 6 6 TYR HA H 1 4.556 0.002 . . . . . A 6 TYR HA . 19530 1 31 . 1 1 6 6 TYR HB2 H 1 2.967 0.005 . . . . . A 6 TYR HB2 . 19530 1 32 . 1 1 6 6 TYR HB3 H 1 2.762 0.003 . . . . . A 6 TYR HB3 . 19530 1 33 . 1 1 6 6 TYR HD1 H 1 6.965 0.007 . . . . . A 6 TYR HD1 . 19530 1 34 . 1 1 6 6 TYR HD2 H 1 6.965 0.007 . . . . . A 6 TYR HD2 . 19530 1 35 . 1 1 6 6 TYR HE1 H 1 6.686 0.009 . . . . . A 6 TYR HE1 . 19530 1 36 . 1 1 6 6 TYR HE2 H 1 6.686 0.009 . . . . . A 6 TYR HE2 . 19530 1 37 . 1 1 6 6 TYR CA C 13 54.822 0.069 . . . . . A 6 TYR CA . 19530 1 38 . 1 1 6 6 TYR CB C 13 36.233 0.084 . . . . . A 6 TYR CB . 19530 1 39 . 1 1 6 6 TYR CD2 C 13 130.481 0.055 . . . . . A 6 TYR CD2 . 19530 1 40 . 1 1 6 6 TYR CE2 C 13 115.418 0.010 . . . . . A 6 TYR CE2 . 19530 1 41 . 1 1 6 6 TYR N N 15 120.058 0.008 . . . . . A 6 TYR N . 19530 1 42 . 1 1 7 7 LYS H H 1 8.296 0.004 . . . . . A 7 LYS H . 19530 1 43 . 1 1 7 7 LYS HA H 1 4.383 0.004 . . . . . A 7 LYS HA . 19530 1 44 . 1 1 7 7 LYS HB2 H 1 1.744 0.01 . . . . . A 7 LYS HB2 . 19530 1 45 . 1 1 7 7 LYS HB3 H 1 1.744 0.01 . . . . . A 7 LYS HB3 . 19530 1 46 . 1 1 7 7 LYS HG2 H 1 1.278 0.005 . . . . . A 7 LYS HG2 . 19530 1 47 . 1 1 7 7 LYS HG3 H 1 1.278 0.005 . . . . . A 7 LYS HG3 . 19530 1 48 . 1 1 7 7 LYS CA C 13 52.932 0.049 . . . . . A 7 LYS CA . 19530 1 49 . 1 1 7 7 LYS CB C 13 31.347 0.04 . . . . . A 7 LYS CB . 19530 1 50 . 1 1 7 7 LYS N N 15 121.593 0.054 . . . . . A 7 LYS N . 19530 1 51 . 1 1 8 8 THR H H 1 8.106 0.003 . . . . . A 8 THR H . 19530 1 52 . 1 1 8 8 THR HA H 1 4.473 0.003 . . . . . A 8 THR HA . 19530 1 53 . 1 1 8 8 THR HB H 1 3.892 0.004 . . . . . A 8 THR HB . 19530 1 54 . 1 1 8 8 THR HG1 H 1 4.697 0.005 . . . . . A 8 THR HG1 . 19530 1 55 . 1 1 8 8 THR HG21 H 1 0.99 0.008 . . . . . A 8 THR HG21 . 19530 1 56 . 1 1 8 8 THR HG22 H 1 0.99 0.008 . . . . . A 8 THR HG22 . 19530 1 57 . 1 1 8 8 THR HG23 H 1 0.99 0.008 . . . . . A 8 THR HG23 . 19530 1 58 . 1 1 8 8 THR CA C 13 59.312 0.015 . . . . . A 8 THR CA . 19530 1 59 . 1 1 8 8 THR CB C 13 67.228 0.049 . . . . . A 8 THR CB . 19530 1 60 . 1 1 8 8 THR CG2 C 13 19.289 0.014 . . . . . A 8 THR CG2 . 19530 1 61 . 1 1 8 8 THR N N 15 116.33 0.026 . . . . . A 8 THR N . 19530 1 62 . 1 1 9 9 ARG H H 1 8.798 0.005 . . . . . A 9 ARG H . 19530 1 63 . 1 1 9 9 ARG HA H 1 4.609 0.009 . . . . . A 9 ARG HA . 19530 1 64 . 1 1 9 9 ARG HB2 H 1 1.746 0.01 . . . . . A 9 ARG HB2 . 19530 1 65 . 1 1 9 9 ARG HB3 H 1 1.746 0.01 . . . . . A 9 ARG HB3 . 19530 1 66 . 1 1 9 9 ARG HG2 H 1 1.543 0.015 . . . . . A 9 ARG HG2 . 19530 1 67 . 1 1 9 9 ARG HG3 H 1 1.543 0.015 . . . . . A 9 ARG HG3 . 19530 1 68 . 1 1 9 9 ARG HD2 H 1 3.099 0.005 . . . . . A 9 ARG HD2 . 19530 1 69 . 1 1 9 9 ARG HD3 H 1 3.077 0.017 . . . . . A 9 ARG HD3 . 19530 1 70 . 1 1 9 9 ARG CA C 13 52.067 0.039 . . . . . A 9 ARG CA . 19530 1 71 . 1 1 9 9 ARG CB C 13 30.913 0.008 . . . . . A 9 ARG CB . 19530 1 72 . 1 1 9 9 ARG CG C 13 24.321 0.031 . . . . . A 9 ARG CG . 19530 1 73 . 1 1 9 9 ARG CD C 13 40.755 0.085 . . . . . A 9 ARG CD . 19530 1 74 . 1 1 9 9 ARG N N 15 123.784 0.023 . . . . . A 9 ARG N . 19530 1 75 . 1 1 10 10 ASP H H 1 8.536 0.011 . . . . . A 10 ASP H . 19530 1 76 . 1 1 10 10 ASP HA H 1 4.918 0.002 . . . . . A 10 ASP HA . 19530 1 77 . 1 1 10 10 ASP HB2 H 1 2.86 0.016 . . . . . A 10 ASP HB2 . 19530 1 78 . 1 1 10 10 ASP HB3 H 1 2.577 0.005 . . . . . A 10 ASP HB3 . 19530 1 79 . 1 1 10 10 ASP CA C 13 51.673 0.019 . . . . . A 10 ASP CA . 19530 1 80 . 1 1 10 10 ASP CB C 13 38.463 0.093 . . . . . A 10 ASP CB . 19530 1 81 . 1 1 10 10 ASP N N 15 122.622 0.02 . . . . . A 10 ASP N . 19530 1 82 . 1 1 11 11 VAL H H 1 8.676 0.008 . . . . . A 11 VAL H . 19530 1 83 . 1 1 11 11 VAL HA H 1 4.947 0.009 . . . . . A 11 VAL HA . 19530 1 84 . 1 1 11 11 VAL HB H 1 2.561 0.006 . . . . . A 11 VAL HB . 19530 1 85 . 1 1 11 11 VAL HG11 H 1 0.955 0.009 . . . . . A 11 VAL HG11 . 19530 1 86 . 1 1 11 11 VAL HG12 H 1 0.955 0.009 . . . . . A 11 VAL HG12 . 19530 1 87 . 1 1 11 11 VAL HG13 H 1 0.955 0.009 . . . . . A 11 VAL HG13 . 19530 1 88 . 1 1 11 11 VAL HG21 H 1 0.515 0.003 . . . . . A 11 VAL HG21 . 19530 1 89 . 1 1 11 11 VAL HG22 H 1 0.515 0.003 . . . . . A 11 VAL HG22 . 19530 1 90 . 1 1 11 11 VAL HG23 H 1 0.515 0.003 . . . . . A 11 VAL HG23 . 19530 1 91 . 1 1 11 11 VAL CA C 13 57.683 0.01 . . . . . A 11 VAL CA . 19530 1 92 . 1 1 11 11 VAL CB C 13 28.509 0.026 . . . . . A 11 VAL CB . 19530 1 93 . 1 1 11 11 VAL CG1 C 13 19.408 0.039 . . . . . A 11 VAL CG1 . 19530 1 94 . 1 1 11 11 VAL CG2 C 13 17.193 0.038 . . . . . A 11 VAL CG2 . 19530 1 95 . 1 1 11 11 VAL N N 15 120.614 0.032 . . . . . A 11 VAL N . 19530 1 96 . 1 1 12 12 THR H H 1 8.615 0.01 . . . . . A 12 THR H . 19530 1 97 . 1 1 12 12 THR HA H 1 4.154 0.003 . . . . . A 12 THR HA . 19530 1 98 . 1 1 12 12 THR HB H 1 3.34 0.006 . . . . . A 12 THR HB . 19530 1 99 . 1 1 12 12 THR HG1 H 1 4.151 0.005 . . . . . A 12 THR HG1 . 19530 1 100 . 1 1 12 12 THR HG21 H 1 1.269 0.003 . . . . . A 12 THR HG21 . 19530 1 101 . 1 1 12 12 THR HG22 H 1 1.269 0.003 . . . . . A 12 THR HG22 . 19530 1 102 . 1 1 12 12 THR HG23 H 1 1.269 0.003 . . . . . A 12 THR HG23 . 19530 1 103 . 1 1 12 12 THR CA C 13 65.751 0.075 . . . . . A 12 THR CA . 19530 1 104 . 1 1 12 12 THR CB C 13 66.623 0.035 . . . . . A 12 THR CB . 19530 1 105 . 1 1 12 12 THR CG2 C 13 19.978 0.04 . . . . . A 12 THR CG2 . 19530 1 106 . 1 1 12 12 THR N N 15 120.705 0.041 . . . . . A 12 THR N . 19530 1 107 . 1 1 13 13 ASP H H 1 8.742 0.003 . . . . . A 13 ASP H . 19530 1 108 . 1 1 13 13 ASP HA H 1 4.268 0.011 . . . . . A 13 ASP HA . 19530 1 109 . 1 1 13 13 ASP HB2 H 1 2.588 0.005 . . . . . A 13 ASP HB2 . 19530 1 110 . 1 1 13 13 ASP HB3 H 1 2.588 0.005 . . . . . A 13 ASP HB3 . 19530 1 111 . 1 1 13 13 ASP CA C 13 55.833 0.026 . . . . . A 13 ASP CA . 19530 1 112 . 1 1 13 13 ASP CB C 13 37.495 0.038 . . . . . A 13 ASP CB . 19530 1 113 . 1 1 13 13 ASP N N 15 120.33 0.037 . . . . . A 13 ASP N . 19530 1 114 . 1 1 14 14 ASP H H 1 7.91 0.005 . . . . . A 14 ASP H . 19530 1 115 . 1 1 14 14 ASP HA H 1 4.324 0.015 . . . . . A 14 ASP HA . 19530 1 116 . 1 1 14 14 ASP HB2 H 1 2.822 0.012 . . . . . A 14 ASP HB2 . 19530 1 117 . 1 1 14 14 ASP HB3 H 1 2.306 0.003 . . . . . A 14 ASP HB3 . 19530 1 118 . 1 1 14 14 ASP CA C 13 55.02 0.03 . . . . . A 14 ASP CA . 19530 1 119 . 1 1 14 14 ASP CB C 13 37.151 0.039 . . . . . A 14 ASP CB . 19530 1 120 . 1 1 14 14 ASP N N 15 121.764 0.032 . . . . . A 14 ASP N . 19530 1 121 . 1 1 15 15 VAL H H 1 8.407 0.008 . . . . . A 15 VAL H . 19530 1 122 . 1 1 15 15 VAL HA H 1 3.205 0.006 . . . . . A 15 VAL HA . 19530 1 123 . 1 1 15 15 VAL HB H 1 2.146 0.011 . . . . . A 15 VAL HB . 19530 1 124 . 1 1 15 15 VAL HG11 H 1 0.815 0.01 . . . . . A 15 VAL HG11 . 19530 1 125 . 1 1 15 15 VAL HG12 H 1 0.815 0.01 . . . . . A 15 VAL HG12 . 19530 1 126 . 1 1 15 15 VAL HG13 H 1 0.815 0.01 . . . . . A 15 VAL HG13 . 19530 1 127 . 1 1 15 15 VAL CA C 13 64.523 0.075 . . . . . A 15 VAL CA . 19530 1 128 . 1 1 15 15 VAL CB C 13 28.245 0.010 . . . . . A 15 VAL CB . 19530 1 129 . 1 1 15 15 VAL CG1 C 13 20.879 0.046 . . . . . A 15 VAL CG1 . 19530 1 130 . 1 1 15 15 VAL N N 15 119.893 0.016 . . . . . A 15 VAL N . 19530 1 131 . 1 1 16 16 LYS H H 1 8.881 0.003 . . . . . A 16 LYS H . 19530 1 132 . 1 1 16 16 LYS HA H 1 3.555 0.011 . . . . . A 16 LYS HA . 19530 1 133 . 1 1 16 16 LYS HB2 H 1 1.964 0.01 . . . . . A 16 LYS HB2 . 19530 1 134 . 1 1 16 16 LYS HB3 H 1 1.719 0.015 . . . . . A 16 LYS HB3 . 19530 1 135 . 1 1 16 16 LYS HG2 H 1 1.129 0.007 . . . . . A 16 LYS HG2 . 19530 1 136 . 1 1 16 16 LYS HG3 H 1 1.129 0.007 . . . . . A 16 LYS HG3 . 19530 1 137 . 1 1 16 16 LYS HD2 H 1 1.727 0.005 . . . . . A 16 LYS HD2 . 19530 1 138 . 1 1 16 16 LYS HD3 H 1 1.727 0.005 . . . . . A 16 LYS HD3 . 19530 1 139 . 1 1 16 16 LYS HE2 H 1 2.944 0.002 . . . . . A 16 LYS HE2 . 19530 1 140 . 1 1 16 16 LYS HE3 H 1 2.944 0.002 . . . . . A 16 LYS HE3 . 19530 1 141 . 1 1 16 16 LYS CA C 13 58.702 0.028 . . . . . A 16 LYS CA . 19530 1 142 . 1 1 16 16 LYS CG C 13 24.727 0.010 . . . . . A 16 LYS CG . 19530 1 143 . 1 1 16 16 LYS CE C 13 39.12 0.015 . . . . . A 16 LYS CE . 19530 1 144 . 1 1 16 16 LYS N N 15 120.526 0.036 . . . . . A 16 LYS N . 19530 1 145 . 1 1 17 17 SER H H 1 7.632 0.004 . . . . . A 17 SER H . 19530 1 146 . 1 1 17 17 SER HA H 1 4.078 0.023 . . . . . A 17 SER HA . 19530 1 147 . 1 1 17 17 SER HB2 H 1 3.838 0.006 . . . . . A 17 SER HB2 . 19530 1 148 . 1 1 17 17 SER HB3 H 1 3.838 0.006 . . . . . A 17 SER HB3 . 19530 1 149 . 1 1 17 17 SER CA C 13 59.392 0.010 . . . . . A 17 SER CA . 19530 1 150 . 1 1 17 17 SER N N 15 113.645 0.048 . . . . . A 17 SER N . 19530 1 151 . 1 1 18 18 ILE H H 1 8.072 0.004 . . . . . A 18 ILE H . 19530 1 152 . 1 1 18 18 ILE HA H 1 3.46 0.003 . . . . . A 18 ILE HA . 19530 1 153 . 1 1 18 18 ILE HB H 1 1.682 0.01 . . . . . A 18 ILE HB . 19530 1 154 . 1 1 18 18 ILE HG12 H 1 0.264 0.01 . . . . . A 18 ILE HG12 . 19530 1 155 . 1 1 18 18 ILE HG13 H 1 1.551 0.016 . . . . . A 18 ILE HG13 . 19530 1 156 . 1 1 18 18 ILE HG21 H 1 0.569 0.007 . . . . . A 18 ILE HG21 . 19530 1 157 . 1 1 18 18 ILE HG22 H 1 0.569 0.007 . . . . . A 18 ILE HG22 . 19530 1 158 . 1 1 18 18 ILE HG23 H 1 0.569 0.007 . . . . . A 18 ILE HG23 . 19530 1 159 . 1 1 18 18 ILE HD11 H 1 -0.403 0.004 . . . . . A 18 ILE HD11 . 19530 1 160 . 1 1 18 18 ILE HD12 H 1 -0.403 0.004 . . . . . A 18 ILE HD12 . 19530 1 161 . 1 1 18 18 ILE HD13 H 1 -0.403 0.004 . . . . . A 18 ILE HD13 . 19530 1 162 . 1 1 18 18 ILE CA C 13 63.706 0.04 . . . . . A 18 ILE CA . 19530 1 163 . 1 1 18 18 ILE CB C 13 35.939 0.037 . . . . . A 18 ILE CB . 19530 1 164 . 1 1 18 18 ILE CG1 C 13 26.66 0.087 . . . . . A 18 ILE CG1 . 19530 1 165 . 1 1 18 18 ILE CG2 C 13 15.079 0.035 . . . . . A 18 ILE CG2 . 19530 1 166 . 1 1 18 18 ILE CD1 C 13 10.577 0.026 . . . . . A 18 ILE CD1 . 19530 1 167 . 1 1 18 18 ILE N N 15 124.622 0.027 . . . . . A 18 ILE N . 19530 1 168 . 1 1 19 19 VAL H H 1 8.719 0.008 . . . . . A 19 VAL H . 19530 1 169 . 1 1 19 19 VAL HA H 1 3.288 0.012 . . . . . A 19 VAL HA . 19530 1 170 . 1 1 19 19 VAL HB H 1 2.076 0.009 . . . . . A 19 VAL HB . 19530 1 171 . 1 1 19 19 VAL HG11 H 1 1.093 0.007 . . . . . A 19 VAL HG11 . 19530 1 172 . 1 1 19 19 VAL HG12 H 1 1.093 0.007 . . . . . A 19 VAL HG12 . 19530 1 173 . 1 1 19 19 VAL HG13 H 1 1.093 0.007 . . . . . A 19 VAL HG13 . 19530 1 174 . 1 1 19 19 VAL HG21 H 1 0.828 0.007 . . . . . A 19 VAL HG21 . 19530 1 175 . 1 1 19 19 VAL HG22 H 1 0.828 0.007 . . . . . A 19 VAL HG22 . 19530 1 176 . 1 1 19 19 VAL HG23 H 1 0.828 0.007 . . . . . A 19 VAL HG23 . 19530 1 177 . 1 1 19 19 VAL CA C 13 64.529 0.068 . . . . . A 19 VAL CA . 19530 1 178 . 1 1 19 19 VAL CB C 13 28.766 0.022 . . . . . A 19 VAL CB . 19530 1 179 . 1 1 19 19 VAL CG1 C 13 21.001 0.021 . . . . . A 19 VAL CG1 . 19530 1 180 . 1 1 19 19 VAL N N 15 119.516 0.048 . . . . . A 19 VAL N . 19530 1 181 . 1 1 20 20 ARG H H 1 8.388 0.003 . . . . . A 20 ARG H . 19530 1 182 . 1 1 20 20 ARG HA H 1 3.942 0.007 . . . . . A 20 ARG HA . 19530 1 183 . 1 1 20 20 ARG HB2 H 1 1.855 0.008 . . . . . A 20 ARG HB2 . 19530 1 184 . 1 1 20 20 ARG HB3 H 1 1.855 0.008 . . . . . A 20 ARG HB3 . 19530 1 185 . 1 1 20 20 ARG HG2 H 1 1.598 0.005 . . . . . A 20 ARG HG2 . 19530 1 186 . 1 1 20 20 ARG HG3 H 1 1.598 0.005 . . . . . A 20 ARG HG3 . 19530 1 187 . 1 1 20 20 ARG HD2 H 1 3.163 0.003 . . . . . A 20 ARG HD2 . 19530 1 188 . 1 1 20 20 ARG HD3 H 1 3.163 0.003 . . . . . A 20 ARG HD3 . 19530 1 189 . 1 1 20 20 ARG CA C 13 57.168 0.051 . . . . . A 20 ARG CA . 19530 1 190 . 1 1 20 20 ARG CB C 13 27.462 0.010 . . . . . A 20 ARG CB . 19530 1 191 . 1 1 20 20 ARG CD C 13 40.656 0.010 . . . . . A 20 ARG CD . 19530 1 192 . 1 1 20 20 ARG N N 15 118.001 0.036 . . . . . A 20 ARG N . 19530 1 193 . 1 1 21 21 PHE H H 1 7.92 0.007 . . . . . A 21 PHE H . 19530 1 194 . 1 1 21 21 PHE HA H 1 4.429 0.012 . . . . . A 21 PHE HA . 19530 1 195 . 1 1 21 21 PHE HB2 H 1 3.304 0.01 . . . . . A 21 PHE HB2 . 19530 1 196 . 1 1 21 21 PHE HB3 H 1 3.304 0.01 . . . . . A 21 PHE HB3 . 19530 1 197 . 1 1 21 21 PHE HD1 H 1 7.179 0.009 . . . . . A 21 PHE HD1 . 19530 1 198 . 1 1 21 21 PHE HD2 H 1 7.179 0.009 . . . . . A 21 PHE HD2 . 19530 1 199 . 1 1 21 21 PHE HE1 H 1 6.875 0.01 . . . . . A 21 PHE HE1 . 19530 1 200 . 1 1 21 21 PHE HE2 H 1 6.875 0.01 . . . . . A 21 PHE HE2 . 19530 1 201 . 1 1 21 21 PHE CA C 13 59.07 0.086 . . . . . A 21 PHE CA . 19530 1 202 . 1 1 21 21 PHE CB C 13 37.446 0.022 . . . . . A 21 PHE CB . 19530 1 203 . 1 1 21 21 PHE CD2 C 13 128.433 0.010 . . . . . A 21 PHE CD2 . 19530 1 204 . 1 1 21 21 PHE CE2 C 13 128.69 0.010 . . . . . A 21 PHE CE2 . 19530 1 205 . 1 1 21 21 PHE N N 15 120.439 0.048 . . . . . A 21 PHE N . 19530 1 206 . 1 1 22 22 VAL H H 1 8.554 0.004 . . . . . A 22 VAL H . 19530 1 207 . 1 1 22 22 VAL HA H 1 3.461 0.005 . . . . . A 22 VAL HA . 19530 1 208 . 1 1 22 22 VAL HB H 1 2.079 0.005 . . . . . A 22 VAL HB . 19530 1 209 . 1 1 22 22 VAL HG11 H 1 1.092 0.005 . . . . . A 22 VAL HG11 . 19530 1 210 . 1 1 22 22 VAL HG12 H 1 1.092 0.005 . . . . . A 22 VAL HG12 . 19530 1 211 . 1 1 22 22 VAL HG13 H 1 1.092 0.005 . . . . . A 22 VAL HG13 . 19530 1 212 . 1 1 22 22 VAL HG21 H 1 0.835 0.013 . . . . . A 22 VAL HG21 . 19530 1 213 . 1 1 22 22 VAL HG22 H 1 0.835 0.013 . . . . . A 22 VAL HG22 . 19530 1 214 . 1 1 22 22 VAL HG23 H 1 0.835 0.013 . . . . . A 22 VAL HG23 . 19530 1 215 . 1 1 22 22 VAL CA C 13 64.288 0.212 . . . . . A 22 VAL CA . 19530 1 216 . 1 1 22 22 VAL CB C 13 28.827 0.010 . . . . . A 22 VAL CB . 19530 1 217 . 1 1 22 22 VAL CG1 C 13 21.018 0.009 . . . . . A 22 VAL CG1 . 19530 1 218 . 1 1 22 22 VAL N N 15 119.817 0.023 . . . . . A 22 VAL N . 19530 1 219 . 1 1 23 23 GLN H H 1 8.702 0.01 . . . . . A 23 GLN H . 19530 1 220 . 1 1 23 23 GLN HA H 1 3.827 0.008 . . . . . A 23 GLN HA . 19530 1 221 . 1 1 23 23 GLN HB2 H 1 2.114 0.017 . . . . . A 23 GLN HB2 . 19530 1 222 . 1 1 23 23 GLN HB3 H 1 2.294 0.017 . . . . . A 23 GLN HB3 . 19530 1 223 . 1 1 23 23 GLN HG2 H 1 2.263 0.022 . . . . . A 23 GLN HG2 . 19530 1 224 . 1 1 23 23 GLN HG3 H 1 2.192 0.009 . . . . . A 23 GLN HG3 . 19530 1 225 . 1 1 23 23 GLN HE21 H 1 7.332 0.001 . . . . . A 23 GLN HE21 . 19530 1 226 . 1 1 23 23 GLN HE22 H 1 6.518 0.013 . . . . . A 23 GLN HE22 . 19530 1 227 . 1 1 23 23 GLN CA C 13 57.046 0.012 . . . . . A 23 GLN CA . 19530 1 228 . 1 1 23 23 GLN CB C 13 26.984 0.035 . . . . . A 23 GLN CB . 19530 1 229 . 1 1 23 23 GLN CG C 13 31.349 0.068 . . . . . A 23 GLN CG . 19530 1 230 . 1 1 23 23 GLN N N 15 120.945 0.107 . . . . . A 23 GLN N . 19530 1 231 . 1 1 23 23 GLN NE2 N 15 109.892 0.026 . . . . . A 23 GLN NE2 . 19530 1 232 . 1 1 24 24 GLU H H 1 8.162 0.01 . . . . . A 24 GLU H . 19530 1 233 . 1 1 24 24 GLU HA H 1 3.864 0.004 . . . . . A 24 GLU HA . 19530 1 234 . 1 1 24 24 GLU HB2 H 1 1.945 0.005 . . . . . A 24 GLU HB2 . 19530 1 235 . 1 1 24 24 GLU HB3 H 1 1.712 0.013 . . . . . A 24 GLU HB3 . 19530 1 236 . 1 1 24 24 GLU HG2 H 1 2.079 0.005 . . . . . A 24 GLU HG2 . 19530 1 237 . 1 1 24 24 GLU HG3 H 1 1.748 0.004 . . . . . A 24 GLU HG3 . 19530 1 238 . 1 1 24 24 GLU CA C 13 55.983 0.145 . . . . . A 24 GLU CA . 19530 1 239 . 1 1 24 24 GLU CB C 13 27.003 0.031 . . . . . A 24 GLU CB . 19530 1 240 . 1 1 24 24 GLU CG C 13 33.16 0.021 . . . . . A 24 GLU CG . 19530 1 241 . 1 1 24 24 GLU N N 15 118.621 0.017 . . . . . A 24 GLU N . 19530 1 242 . 1 1 25 25 HIS H H 1 7.456 0.008 . . . . . A 25 HIS H . 19530 1 243 . 1 1 25 25 HIS HA H 1 4.348 0.007 . . . . . A 25 HIS HA . 19530 1 244 . 1 1 25 25 HIS HB2 H 1 2.418 0.009 . . . . . A 25 HIS HB2 . 19530 1 245 . 1 1 25 25 HIS HB3 H 1 3.124 0.015 . . . . . A 25 HIS HB3 . 19530 1 246 . 1 1 25 25 HIS HD2 H 1 6.897 0.001 . . . . . A 25 HIS HD2 . 19530 1 247 . 1 1 25 25 HIS CA C 13 55.023 0.029 . . . . . A 25 HIS CA . 19530 1 248 . 1 1 25 25 HIS CB C 13 28.052 0.079 . . . . . A 25 HIS CB . 19530 1 249 . 1 1 25 25 HIS N N 15 115.638 0.045 . . . . . A 25 HIS N . 19530 1 250 . 1 1 26 26 SER H H 1 7.622 0.003 . . . . . A 26 SER H . 19530 1 251 . 1 1 26 26 SER HA H 1 4.597 0.002 . . . . . A 26 SER HA . 19530 1 252 . 1 1 26 26 SER HB2 H 1 3.979 0.015 . . . . . A 26 SER HB2 . 19530 1 253 . 1 1 26 26 SER HB3 H 1 3.979 0.015 . . . . . A 26 SER HB3 . 19530 1 254 . 1 1 26 26 SER CA C 13 56.129 0.027 . . . . . A 26 SER CA . 19530 1 255 . 1 1 26 26 SER CB C 13 61.587 0.010 . . . . . A 26 SER CB . 19530 1 256 . 1 1 26 26 SER N N 15 113.585 0.012 . . . . . A 26 SER N . 19530 1 257 . 1 1 27 27 SER H H 1 8.054 0.009 . . . . . A 27 SER H . 19530 1 258 . 1 1 27 27 SER HA H 1 4.43 0.001 . . . . . A 27 SER HA . 19530 1 259 . 1 1 27 27 SER HB2 H 1 3.804 0.003 . . . . . A 27 SER HB2 . 19530 1 260 . 1 1 27 27 SER HB3 H 1 3.804 0.003 . . . . . A 27 SER HB3 . 19530 1 261 . 1 1 27 27 SER CA C 13 55.898 0.010 . . . . . A 27 SER CA . 19530 1 262 . 1 1 27 27 SER N N 15 116.649 0.022 . . . . . A 27 SER N . 19530 1 263 . 1 1 29 29 GLN H H 1 7.703 0.005 . . . . . A 29 GLN H . 19530 1 264 . 1 1 29 29 GLN HA H 1 4.192 0.012 . . . . . A 29 GLN HA . 19530 1 265 . 1 1 29 29 GLN HB2 H 1 1.914 0.02 . . . . . A 29 GLN HB2 . 19530 1 266 . 1 1 29 29 GLN HB3 H 1 2.034 0.002 . . . . . A 29 GLN HB3 . 19530 1 267 . 1 1 29 29 GLN HG2 H 1 2.249 0.003 . . . . . A 29 GLN HG2 . 19530 1 268 . 1 1 29 29 GLN HG3 H 1 2.249 0.003 . . . . . A 29 GLN HG3 . 19530 1 269 . 1 1 29 29 GLN HE21 H 1 7.398 0.005 . . . . . A 29 GLN HE21 . 19530 1 270 . 1 1 29 29 GLN HE22 H 1 6.726 0.002 . . . . . A 29 GLN HE22 . 19530 1 271 . 1 1 29 29 GLN CA C 13 53.302 0.05 . . . . . A 29 GLN CA . 19530 1 272 . 1 1 29 29 GLN CB C 13 26.483 0.03 . . . . . A 29 GLN CB . 19530 1 273 . 1 1 29 29 GLN CG C 13 31.196 0.038 . . . . . A 29 GLN CG . 19530 1 274 . 1 1 29 29 GLN NE2 N 15 112.268 0.049 . . . . . A 29 GLN NE2 . 19530 1 275 . 1 1 30 30 GLY H H 1 8.265 0.005 . . . . . A 30 GLY H . 19530 1 276 . 1 1 30 30 GLY HA2 H 1 3.827 0.015 . . . . . A 30 GLY HA2 . 19530 1 277 . 1 1 30 30 GLY HA3 H 1 3.827 0.015 . . . . . A 30 GLY HA3 . 19530 1 278 . 1 1 30 30 GLY N N 15 108.999 0.010 . . . . . A 30 GLY N . 19530 1 279 . 1 1 31 31 MET H H 1 8.047 0.004 . . . . . A 31 MET H . 19530 1 280 . 1 1 31 31 MET HG2 H 1 1.912 0.005 . . . . . A 31 MET HG2 . 19530 1 281 . 1 1 31 31 MET HG3 H 1 1.912 0.005 . . . . . A 31 MET HG3 . 19530 1 282 . 1 1 31 31 MET N N 15 119.703 0.025 . . . . . A 31 MET N . 19530 1 283 . 1 1 33 33 ASN HA H 1 4.399 0.003 . . . . . A 33 ASN HA . 19530 1 284 . 1 1 33 33 ASN HB2 H 1 2.618 0.004 . . . . . A 33 ASN HB2 . 19530 1 285 . 1 1 33 33 ASN HB3 H 1 2.48 0.002 . . . . . A 33 ASN HB3 . 19530 1 286 . 1 1 33 33 ASN CA C 13 50.346 0.023 . . . . . A 33 ASN CA . 19530 1 287 . 1 1 33 33 ASN CB C 13 36.008 0.022 . . . . . A 33 ASN CB . 19530 1 288 . 1 1 34 34 ILE H H 1 7.837 0.008 . . . . . A 34 ILE H . 19530 1 289 . 1 1 34 34 ILE HA H 1 4.072 0.005 . . . . . A 34 ILE HA . 19530 1 290 . 1 1 34 34 ILE HB H 1 1.77 0.014 . . . . . A 34 ILE HB . 19530 1 291 . 1 1 34 34 ILE HG12 H 1 1.367 0.002 . . . . . A 34 ILE HG12 . 19530 1 292 . 1 1 34 34 ILE HG13 H 1 1.064 0.001 . . . . . A 34 ILE HG13 . 19530 1 293 . 1 1 34 34 ILE HG21 H 1 0.768 0.012 . . . . . A 34 ILE HG21 . 19530 1 294 . 1 1 34 34 ILE HG22 H 1 0.768 0.012 . . . . . A 34 ILE HG22 . 19530 1 295 . 1 1 34 34 ILE HG23 H 1 0.768 0.012 . . . . . A 34 ILE HG23 . 19530 1 296 . 1 1 34 34 ILE HD11 H 1 0.772 0.011 . . . . . A 34 ILE HD11 . 19530 1 297 . 1 1 34 34 ILE HD12 H 1 0.772 0.011 . . . . . A 34 ILE HD12 . 19530 1 298 . 1 1 34 34 ILE HD13 H 1 0.772 0.011 . . . . . A 34 ILE HD13 . 19530 1 299 . 1 1 34 34 ILE CA C 13 58.766 0.053 . . . . . A 34 ILE CA . 19530 1 300 . 1 1 34 34 ILE CB C 13 36.023 0.083 . . . . . A 34 ILE CB . 19530 1 301 . 1 1 34 34 ILE CG1 C 13 24.599 0.178 . . . . . A 34 ILE CG1 . 19530 1 302 . 1 1 34 34 ILE CG2 C 13 14.965 0.004 . . . . . A 34 ILE CG2 . 19530 1 303 . 1 1 34 34 ILE CD1 C 13 9.992 0.010 . . . . . A 34 ILE CD1 . 19530 1 304 . 1 1 34 34 ILE N N 15 120.096 0.064 . . . . . A 34 ILE N . 19530 1 305 . 1 1 35 35 LYS H H 1 8.207 0.006 . . . . . A 35 LYS H . 19530 1 306 . 1 1 35 35 LYS HA H 1 4.133 0.004 . . . . . A 35 LYS HA . 19530 1 307 . 1 1 35 35 LYS HB2 H 1 1.623 0.002 . . . . . A 35 LYS HB2 . 19530 1 308 . 1 1 35 35 LYS HB3 H 1 1.623 0.002 . . . . . A 35 LYS HB3 . 19530 1 309 . 1 1 35 35 LYS HG2 H 1 1.285 0.008 . . . . . A 35 LYS HG2 . 19530 1 310 . 1 1 35 35 LYS HG3 H 1 1.285 0.008 . . . . . A 35 LYS HG3 . 19530 1 311 . 1 1 35 35 LYS HE2 H 1 2.934 0.005 . . . . . A 35 LYS HE2 . 19530 1 312 . 1 1 35 35 LYS HE3 H 1 2.934 0.005 . . . . . A 35 LYS HE3 . 19530 1 313 . 1 1 35 35 LYS CB C 13 29.809 0.010 . . . . . A 35 LYS CB . 19530 1 314 . 1 1 35 35 LYS N N 15 123.138 0.073 . . . . . A 35 LYS N . 19530 1 315 . 1 1 36 36 HIS H H 1 8.011 0.003 . . . . . A 36 HIS H . 19530 1 316 . 1 1 36 36 HIS HA H 1 4.527 0.011 . . . . . A 36 HIS HA . 19530 1 317 . 1 1 36 36 HIS HB2 H 1 2.995 0.012 . . . . . A 36 HIS HB2 . 19530 1 318 . 1 1 36 36 HIS HB3 H 1 2.995 0.012 . . . . . A 36 HIS HB3 . 19530 1 319 . 1 1 36 36 HIS HD2 H 1 6.864 0.005 . . . . . A 36 HIS HD2 . 19530 1 320 . 1 1 36 36 HIS CA C 13 53.765 0.01 . . . . . A 36 HIS CA . 19530 1 321 . 1 1 36 36 HIS CB C 13 28.204 0.013 . . . . . A 36 HIS CB . 19530 1 322 . 1 1 36 36 HIS N N 15 119.858 0.022 . . . . . A 36 HIS N . 19530 1 323 . 1 1 37 37 VAL H H 1 7.889 0.008 . . . . . A 37 VAL H . 19530 1 324 . 1 1 37 37 VAL HA H 1 4.066 0.01 . . . . . A 37 VAL HA . 19530 1 325 . 1 1 37 37 VAL HB H 1 1.945 0.003 . . . . . A 37 VAL HB . 19530 1 326 . 1 1 37 37 VAL HG11 H 1 0.783 0.008 . . . . . A 37 VAL HG11 . 19530 1 327 . 1 1 37 37 VAL HG12 H 1 0.783 0.008 . . . . . A 37 VAL HG12 . 19530 1 328 . 1 1 37 37 VAL HG13 H 1 0.783 0.008 . . . . . A 37 VAL HG13 . 19530 1 329 . 1 1 37 37 VAL HG21 H 1 0.783 0.008 . . . . . A 37 VAL HG21 . 19530 1 330 . 1 1 37 37 VAL HG22 H 1 0.783 0.008 . . . . . A 37 VAL HG22 . 19530 1 331 . 1 1 37 37 VAL HG23 H 1 0.783 0.008 . . . . . A 37 VAL HG23 . 19530 1 332 . 1 1 37 37 VAL CA C 13 59.303 0.128 . . . . . A 37 VAL CA . 19530 1 333 . 1 1 37 37 VAL CB C 13 30.219 0.010 . . . . . A 37 VAL CB . 19530 1 334 . 1 1 37 37 VAL CG1 C 13 17.797 0.088 . . . . . A 37 VAL CG1 . 19530 1 335 . 1 1 37 37 VAL N N 15 120.812 0.03 . . . . . A 37 VAL N . 19530 1 336 . 1 1 38 38 GLY H H 1 8.062 0.009 . . . . . A 38 GLY H . 19530 1 337 . 1 1 38 38 GLY HA2 H 1 3.815 0.002 . . . . . A 38 GLY HA2 . 19530 1 338 . 1 1 38 38 GLY HA3 H 1 3.971 0.001 . . . . . A 38 GLY HA3 . 19530 1 339 . 1 1 38 38 GLY CA C 13 41.696 0.021 . . . . . A 38 GLY CA . 19530 1 340 . 1 1 38 38 GLY N N 15 112.001 0.012 . . . . . A 38 GLY N . 19530 1 341 . 1 1 39 39 PRO HD2 H 1 3.352 0.004 . . . . . A 39 PRO HD2 . 19530 1 342 . 1 1 39 39 PRO HD3 H 1 3.159 0.003 . . . . . A 39 PRO HD3 . 19530 1 343 . 1 1 41 41 GLY HA2 H 1 3.713 0.005 . . . . . A 41 GLY HA2 . 19530 1 344 . 1 1 41 41 GLY HA3 H 1 3.713 0.005 . . . . . A 41 GLY HA3 . 19530 1 345 . 1 1 42 42 ARG H H 1 7.191 0.008 . . . . . A 42 ARG H . 19530 1 346 . 1 1 42 42 ARG HA H 1 4.106 0.005 . . . . . A 42 ARG HA . 19530 1 347 . 1 1 42 42 ARG HB2 H 1 1.108 0.005 . . . . . A 42 ARG HB2 . 19530 1 348 . 1 1 42 42 ARG HB3 H 1 0.913 0.005 . . . . . A 42 ARG HB3 . 19530 1 349 . 1 1 42 42 ARG HG2 H 1 1.008 0.005 . . . . . A 42 ARG HG2 . 19530 1 350 . 1 1 42 42 ARG HG3 H 1 1.036 0.008 . . . . . A 42 ARG HG3 . 19530 1 351 . 1 1 42 42 ARG HD2 H 1 2.507 0.008 . . . . . A 42 ARG HD2 . 19530 1 352 . 1 1 42 42 ARG HD3 H 1 2.507 0.008 . . . . . A 42 ARG HD3 . 19530 1 353 . 1 1 42 42 ARG CA C 13 52.102 0.015 . . . . . A 42 ARG CA . 19530 1 354 . 1 1 42 42 ARG CB C 13 29.197 0.013 . . . . . A 42 ARG CB . 19530 1 355 . 1 1 42 42 ARG CG C 13 23.821 0.074 . . . . . A 42 ARG CG . 19530 1 356 . 1 1 42 42 ARG CD C 13 40.304 0.057 . . . . . A 42 ARG CD . 19530 1 357 . 1 1 42 42 ARG N N 15 117.216 0.029 . . . . . A 42 ARG N . 19530 1 358 . 1 1 43 43 PHE H H 1 9.169 0.007 . . . . . A 43 PHE H . 19530 1 359 . 1 1 43 43 PHE HA H 1 5.231 0.004 . . . . . A 43 PHE HA . 19530 1 360 . 1 1 43 43 PHE HB2 H 1 3.133 0.005 . . . . . A 43 PHE HB2 . 19530 1 361 . 1 1 43 43 PHE HB3 H 1 2.835 0.018 . . . . . A 43 PHE HB3 . 19530 1 362 . 1 1 43 43 PHE HD1 H 1 7.175 0.007 . . . . . A 43 PHE HD1 . 19530 1 363 . 1 1 43 43 PHE HD2 H 1 7.175 0.007 . . . . . A 43 PHE HD2 . 19530 1 364 . 1 1 43 43 PHE HE1 H 1 6.886 0.001 . . . . . A 43 PHE HE1 . 19530 1 365 . 1 1 43 43 PHE HE2 H 1 6.886 0.001 . . . . . A 43 PHE HE2 . 19530 1 366 . 1 1 43 43 PHE HZ H 1 6.668 0.011 . . . . . A 43 PHE HZ . 19530 1 367 . 1 1 43 43 PHE CA C 13 53.803 0.014 . . . . . A 43 PHE CA . 19530 1 368 . 1 1 43 43 PHE CB C 13 39.107 0.015 . . . . . A 43 PHE CB . 19530 1 369 . 1 1 43 43 PHE CD2 C 13 129.423 0.026 . . . . . A 43 PHE CD2 . 19530 1 370 . 1 1 43 43 PHE CE2 C 13 128.727 0.048 . . . . . A 43 PHE CE2 . 19530 1 371 . 1 1 43 43 PHE CZ C 13 127.83 0.010 . . . . . A 43 PHE CZ . 19530 1 372 . 1 1 43 43 PHE N N 15 118.418 0.03 . . . . . A 43 PHE N . 19530 1 373 . 1 1 44 44 THR H H 1 7.878 0.011 . . . . . A 44 THR H . 19530 1 374 . 1 1 44 44 THR HA H 1 4.809 0.005 . . . . . A 44 THR HA . 19530 1 375 . 1 1 44 44 THR HB H 1 4.674 0.011 . . . . . A 44 THR HB . 19530 1 376 . 1 1 44 44 THR HG21 H 1 1.144 0.005 . . . . . A 44 THR HG21 . 19530 1 377 . 1 1 44 44 THR HG22 H 1 1.144 0.005 . . . . . A 44 THR HG22 . 19530 1 378 . 1 1 44 44 THR HG23 H 1 1.144 0.005 . . . . . A 44 THR HG23 . 19530 1 379 . 1 1 44 44 THR CA C 13 57.627 0.006 . . . . . A 44 THR CA . 19530 1 380 . 1 1 44 44 THR CB C 13 68.575 0.035 . . . . . A 44 THR CB . 19530 1 381 . 1 1 44 44 THR CG2 C 13 19.344 0.027 . . . . . A 44 THR CG2 . 19530 1 382 . 1 1 44 44 THR N N 15 112.798 0.029 . . . . . A 44 THR N . 19530 1 383 . 1 1 45 45 MET H H 1 9.731 0.002 . . . . . A 45 MET H . 19530 1 384 . 1 1 45 45 MET HA H 1 3.538 0.014 . . . . . A 45 MET HA . 19530 1 385 . 1 1 45 45 MET HB2 H 1 2.118 0.009 . . . . . A 45 MET HB2 . 19530 1 386 . 1 1 45 45 MET HB3 H 1 2.118 0.009 . . . . . A 45 MET HB3 . 19530 1 387 . 1 1 45 45 MET HG2 H 1 1.978 0.005 . . . . . A 45 MET HG2 . 19530 1 388 . 1 1 45 45 MET HG3 H 1 1.978 0.005 . . . . . A 45 MET HG3 . 19530 1 389 . 1 1 45 45 MET CA C 13 57.641 0.04 . . . . . A 45 MET CA . 19530 1 390 . 1 1 45 45 MET CB C 13 29.616 0.015 . . . . . A 45 MET CB . 19530 1 391 . 1 1 45 45 MET CG C 13 29.808 0.010 . . . . . A 45 MET CG . 19530 1 392 . 1 1 45 45 MET N N 15 122.019 0.033 . . . . . A 45 MET N . 19530 1 393 . 1 1 46 46 ASN H H 1 8.505 0.004 . . . . . A 46 ASN H . 19530 1 394 . 1 1 46 46 ASN HA H 1 4.099 0.005 . . . . . A 46 ASN HA . 19530 1 395 . 1 1 46 46 ASN HB2 H 1 2.72 0.016 . . . . . A 46 ASN HB2 . 19530 1 396 . 1 1 46 46 ASN HB3 H 1 2.573 0.005 . . . . . A 46 ASN HB3 . 19530 1 397 . 1 1 46 46 ASN HD21 H 1 6.893 0.002 . . . . . A 46 ASN HD21 . 19530 1 398 . 1 1 46 46 ASN HD22 H 1 7.531 0.005 . . . . . A 46 ASN HD22 . 19530 1 399 . 1 1 46 46 ASN CA C 13 53.851 0.039 . . . . . A 46 ASN CA . 19530 1 400 . 1 1 46 46 ASN CB C 13 35.221 0.028 . . . . . A 46 ASN CB . 19530 1 401 . 1 1 46 46 ASN N N 15 115.665 0.113 . . . . . A 46 ASN N . 19530 1 402 . 1 1 46 46 ASN ND2 N 15 112.705 0.015 . . . . . A 46 ASN ND2 . 19530 1 403 . 1 1 47 47 MET H H 1 7.561 0.009 . . . . . A 47 MET H . 19530 1 404 . 1 1 47 47 MET HA H 1 4.096 0.006 . . . . . A 47 MET HA . 19530 1 405 . 1 1 47 47 MET HB2 H 1 2.299 0.017 . . . . . A 47 MET HB2 . 19530 1 406 . 1 1 47 47 MET HB3 H 1 2.299 0.017 . . . . . A 47 MET HB3 . 19530 1 407 . 1 1 47 47 MET HE1 H 1 1.927 0.005 . . . . . A 47 MET HE1 . 19530 1 408 . 1 1 47 47 MET HE2 H 1 1.927 0.005 . . . . . A 47 MET HE2 . 19530 1 409 . 1 1 47 47 MET HE3 H 1 1.927 0.005 . . . . . A 47 MET HE3 . 19530 1 410 . 1 1 47 47 MET CA C 13 56.296 0.042 . . . . . A 47 MET CA . 19530 1 411 . 1 1 47 47 MET CB C 13 31.471 0.027 . . . . . A 47 MET CB . 19530 1 412 . 1 1 47 47 MET N N 15 117.282 0.035 . . . . . A 47 MET N . 19530 1 413 . 1 1 48 48 LEU H H 1 7.706 0.009 . . . . . A 48 LEU H . 19530 1 414 . 1 1 48 48 LEU HA H 1 3.631 0.015 . . . . . A 48 LEU HA . 19530 1 415 . 1 1 48 48 LEU HB2 H 1 1.384 0.006 . . . . . A 48 LEU HB2 . 19530 1 416 . 1 1 48 48 LEU HB3 H 1 0.863 0.005 . . . . . A 48 LEU HB3 . 19530 1 417 . 1 1 48 48 LEU HG H 1 1.535 0.015 . . . . . A 48 LEU HG . 19530 1 418 . 1 1 48 48 LEU HD11 H 1 0.54 0.006 . . . . . A 48 LEU HD11 . 19530 1 419 . 1 1 48 48 LEU HD12 H 1 0.54 0.006 . . . . . A 48 LEU HD12 . 19530 1 420 . 1 1 48 48 LEU HD13 H 1 0.54 0.006 . . . . . A 48 LEU HD13 . 19530 1 421 . 1 1 48 48 LEU HD21 H 1 0.702 0.013 . . . . . A 48 LEU HD21 . 19530 1 422 . 1 1 48 48 LEU HD22 H 1 0.702 0.013 . . . . . A 48 LEU HD22 . 19530 1 423 . 1 1 48 48 LEU HD23 H 1 0.702 0.013 . . . . . A 48 LEU HD23 . 19530 1 424 . 1 1 48 48 LEU CA C 13 55.091 0.051 . . . . . A 48 LEU CA . 19530 1 425 . 1 1 48 48 LEU CB C 13 38.968 0.049 . . . . . A 48 LEU CB . 19530 1 426 . 1 1 48 48 LEU CG C 13 24.303 0.010 . . . . . A 48 LEU CG . 19530 1 427 . 1 1 48 48 LEU CD1 C 13 21.323 0.12 . . . . . A 48 LEU CD1 . 19530 1 428 . 1 1 48 48 LEU CD2 C 13 21.702 0.010 . . . . . A 48 LEU CD2 . 19530 1 429 . 1 1 48 48 LEU N N 15 119.499 0.035 . . . . . A 48 LEU N . 19530 1 430 . 1 1 49 49 VAL H H 1 7.946 0.008 . . . . . A 49 VAL H . 19530 1 431 . 1 1 49 49 VAL HA H 1 3.007 0.008 . . . . . A 49 VAL HA . 19530 1 432 . 1 1 49 49 VAL HB H 1 1.984 0.009 . . . . . A 49 VAL HB . 19530 1 433 . 1 1 49 49 VAL HG11 H 1 0.529 0.011 . . . . . A 49 VAL HG11 . 19530 1 434 . 1 1 49 49 VAL HG12 H 1 0.529 0.011 . . . . . A 49 VAL HG12 . 19530 1 435 . 1 1 49 49 VAL HG13 H 1 0.529 0.011 . . . . . A 49 VAL HG13 . 19530 1 436 . 1 1 49 49 VAL HG21 H 1 0.81 0.005 . . . . . A 49 VAL HG21 . 19530 1 437 . 1 1 49 49 VAL HG22 H 1 0.81 0.005 . . . . . A 49 VAL HG22 . 19530 1 438 . 1 1 49 49 VAL HG23 H 1 0.81 0.005 . . . . . A 49 VAL HG23 . 19530 1 439 . 1 1 49 49 VAL CA C 13 64.838 0.063 . . . . . A 49 VAL CA . 19530 1 440 . 1 1 49 49 VAL CB C 13 28.684 0.010 . . . . . A 49 VAL CB . 19530 1 441 . 1 1 49 49 VAL CG1 C 13 21.083 0.095 . . . . . A 49 VAL CG1 . 19530 1 442 . 1 1 49 49 VAL N N 15 120.544 0.017 . . . . . A 49 VAL N . 19530 1 443 . 1 1 50 50 ASP H H 1 7.65 0.012 . . . . . A 50 ASP H . 19530 1 444 . 1 1 50 50 ASP HA H 1 4.244 0.01 . . . . . A 50 ASP HA . 19530 1 445 . 1 1 50 50 ASP HB2 H 1 2.776 0.014 . . . . . A 50 ASP HB2 . 19530 1 446 . 1 1 50 50 ASP HB3 H 1 2.24 0.01 . . . . . A 50 ASP HB3 . 19530 1 447 . 1 1 50 50 ASP CA C 13 55.406 0.126 . . . . . A 50 ASP CA . 19530 1 448 . 1 1 50 50 ASP CB C 13 37.66 0.091 . . . . . A 50 ASP CB . 19530 1 449 . 1 1 50 50 ASP N N 15 118.085 0.013 . . . . . A 50 ASP N . 19530 1 450 . 1 1 51 51 ILE H H 1 7.711 0.007 . . . . . A 51 ILE H . 19530 1 451 . 1 1 51 51 ILE HA H 1 3.769 0.008 . . . . . A 51 ILE HA . 19530 1 452 . 1 1 51 51 ILE HB H 1 1.631 0.01 . . . . . A 51 ILE HB . 19530 1 453 . 1 1 51 51 ILE HG12 H 1 1.961 0.01 . . . . . A 51 ILE HG12 . 19530 1 454 . 1 1 51 51 ILE HG13 H 1 1.367 0.013 . . . . . A 51 ILE HG13 . 19530 1 455 . 1 1 51 51 ILE HG21 H 1 0.685 0.009 . . . . . A 51 ILE HG21 . 19530 1 456 . 1 1 51 51 ILE HG22 H 1 0.685 0.009 . . . . . A 51 ILE HG22 . 19530 1 457 . 1 1 51 51 ILE HG23 H 1 0.685 0.009 . . . . . A 51 ILE HG23 . 19530 1 458 . 1 1 51 51 ILE HD11 H 1 0.582 0.005 . . . . . A 51 ILE HD11 . 19530 1 459 . 1 1 51 51 ILE HD12 H 1 0.582 0.005 . . . . . A 51 ILE HD12 . 19530 1 460 . 1 1 51 51 ILE HD13 H 1 0.582 0.005 . . . . . A 51 ILE HD13 . 19530 1 461 . 1 1 51 51 ILE CA C 13 62.852 0.107 . . . . . A 51 ILE CA . 19530 1 462 . 1 1 51 51 ILE CB C 13 36.755 0.053 . . . . . A 51 ILE CB . 19530 1 463 . 1 1 51 51 ILE CG1 C 13 27.111 0.09 . . . . . A 51 ILE CG1 . 19530 1 464 . 1 1 51 51 ILE CG2 C 13 15.422 0.078 . . . . . A 51 ILE CG2 . 19530 1 465 . 1 1 51 51 ILE CD1 C 13 12.121 0.032 . . . . . A 51 ILE CD1 . 19530 1 466 . 1 1 51 51 ILE N N 15 118.285 0.011 . . . . . A 51 ILE N . 19530 1 467 . 1 1 52 52 PHE H H 1 8.749 0.002 . . . . . A 52 PHE H . 19530 1 468 . 1 1 52 52 PHE HA H 1 4.286 0.008 . . . . . A 52 PHE HA . 19530 1 469 . 1 1 52 52 PHE HB2 H 1 3.023 0.011 . . . . . A 52 PHE HB2 . 19530 1 470 . 1 1 52 52 PHE HB3 H 1 3.023 0.011 . . . . . A 52 PHE HB3 . 19530 1 471 . 1 1 52 52 PHE HD1 H 1 6.851 0.006 . . . . . A 52 PHE HD1 . 19530 1 472 . 1 1 52 52 PHE HD2 H 1 6.851 0.006 . . . . . A 52 PHE HD2 . 19530 1 473 . 1 1 52 52 PHE HE1 H 1 6.419 0.007 . . . . . A 52 PHE HE1 . 19530 1 474 . 1 1 52 52 PHE HE2 H 1 6.419 0.007 . . . . . A 52 PHE HE2 . 19530 1 475 . 1 1 52 52 PHE CA C 13 57.31 0.044 . . . . . A 52 PHE CA . 19530 1 476 . 1 1 52 52 PHE CB C 13 37.915 0.010 . . . . . A 52 PHE CB . 19530 1 477 . 1 1 52 52 PHE CD1 C 13 127.866 0.048 . . . . . A 52 PHE CD1 . 19530 1 478 . 1 1 52 52 PHE CE1 C 13 128.537 0.010 . . . . . A 52 PHE CE1 . 19530 1 479 . 1 1 52 52 PHE N N 15 122.834 0.029 . . . . . A 52 PHE N . 19530 1 480 . 1 1 53 53 LEU H H 1 8.439 0.007 . . . . . A 53 LEU H . 19530 1 481 . 1 1 53 53 LEU HA H 1 3.46 0.012 . . . . . A 53 LEU HA . 19530 1 482 . 1 1 53 53 LEU HB2 H 1 1.632 0.021 . . . . . A 53 LEU HB2 . 19530 1 483 . 1 1 53 53 LEU HB3 H 1 1.333 0.01 . . . . . A 53 LEU HB3 . 19530 1 484 . 1 1 53 53 LEU HD11 H 1 0.693 0.01 . . . . . A 53 LEU HD11 . 19530 1 485 . 1 1 53 53 LEU HD12 H 1 0.693 0.01 . . . . . A 53 LEU HD12 . 19530 1 486 . 1 1 53 53 LEU HD13 H 1 0.693 0.01 . . . . . A 53 LEU HD13 . 19530 1 487 . 1 1 53 53 LEU HD21 H 1 0.667 0.008 . . . . . A 53 LEU HD21 . 19530 1 488 . 1 1 53 53 LEU HD22 H 1 0.667 0.008 . . . . . A 53 LEU HD22 . 19530 1 489 . 1 1 53 53 LEU HD23 H 1 0.667 0.008 . . . . . A 53 LEU HD23 . 19530 1 490 . 1 1 53 53 LEU CA C 13 53.42 0.043 . . . . . A 53 LEU CA . 19530 1 491 . 1 1 53 53 LEU CB C 13 39.786 0.015 . . . . . A 53 LEU CB . 19530 1 492 . 1 1 53 53 LEU CD1 C 13 23.647 0.078 . . . . . A 53 LEU CD1 . 19530 1 493 . 1 1 53 53 LEU CD2 C 13 20.648 0.04 . . . . . A 53 LEU CD2 . 19530 1 494 . 1 1 53 53 LEU N N 15 114.896 0.026 . . . . . A 53 LEU N . 19530 1 495 . 1 1 54 54 GLY H H 1 7.553 0.005 . . . . . A 54 GLY H . 19530 1 496 . 1 1 54 54 GLY HA2 H 1 3.191 0.004 . . . . . A 54 GLY HA2 . 19530 1 497 . 1 1 54 54 GLY HA3 H 1 2.365 0.008 . . . . . A 54 GLY HA3 . 19530 1 498 . 1 1 54 54 GLY CA C 13 41.696 0.139 . . . . . A 54 GLY CA . 19530 1 499 . 1 1 54 54 GLY N N 15 106.010 0.024 . . . . . A 54 GLY N . 19530 1 500 . 1 1 55 55 SER H H 1 7.966 0.003 . . . . . A 55 SER H . 19530 1 501 . 1 1 55 55 SER HA H 1 4.22 0.003 . . . . . A 55 SER HA . 19530 1 502 . 1 1 55 55 SER HB2 H 1 3.69 0.012 . . . . . A 55 SER HB2 . 19530 1 503 . 1 1 55 55 SER HB3 H 1 3.743 0.013 . . . . . A 55 SER HB3 . 19530 1 504 . 1 1 55 55 SER CA C 13 55.639 0.012 . . . . . A 55 SER CA . 19530 1 505 . 1 1 55 55 SER CB C 13 60.996 0.015 . . . . . A 55 SER CB . 19530 1 506 . 1 1 55 55 SER N N 15 114.675 0.024 . . . . . A 55 SER N . 19530 1 507 . 1 1 58 58 ALA H H 1 7.672 0.007 . . . . . A 58 ALA H . 19530 1 508 . 1 1 58 58 ALA HA H 1 4.214 0.003 . . . . . A 58 ALA HA . 19530 1 509 . 1 1 58 58 ALA HB1 H 1 1.562 0.006 . . . . . A 58 ALA HB1 . 19530 1 510 . 1 1 58 58 ALA HB2 H 1 1.562 0.006 . . . . . A 58 ALA HB2 . 19530 1 511 . 1 1 58 58 ALA HB3 H 1 1.562 0.006 . . . . . A 58 ALA HB3 . 19530 1 512 . 1 1 58 58 ALA CA C 13 49.962 0.04 . . . . . A 58 ALA CA . 19530 1 513 . 1 1 58 58 ALA CB C 13 17.815 0.06 . . . . . A 58 ALA CB . 19530 1 514 . 1 1 58 58 ALA N N 15 124.906 0.046 . . . . . A 58 ALA N . 19530 1 515 . 1 1 59 59 LYS H H 1 8.877 0.005 . . . . . A 59 LYS H . 19530 1 516 . 1 1 59 59 LYS HA H 1 3.999 0.005 . . . . . A 59 LYS HA . 19530 1 517 . 1 1 59 59 LYS HB2 H 1 1.913 0.007 . . . . . A 59 LYS HB2 . 19530 1 518 . 1 1 59 59 LYS HB3 H 1 1.76 0.001 . . . . . A 59 LYS HB3 . 19530 1 519 . 1 1 59 59 LYS HD2 H 1 1.724 0.005 . . . . . A 59 LYS HD2 . 19530 1 520 . 1 1 59 59 LYS HD3 H 1 1.724 0.005 . . . . . A 59 LYS HD3 . 19530 1 521 . 1 1 59 59 LYS CA C 13 54.56 0.044 . . . . . A 59 LYS CA . 19530 1 522 . 1 1 59 59 LYS CB C 13 30.396 0.026 . . . . . A 59 LYS CB . 19530 1 523 . 1 1 59 59 LYS N N 15 120.289 0.051 . . . . . A 59 LYS N . 19530 1 524 . 1 1 60 60 ILE H H 1 6.793 0.005 . . . . . A 60 ILE H . 19530 1 525 . 1 1 60 60 ILE HA H 1 4.144 0.005 . . . . . A 60 ILE HA . 19530 1 526 . 1 1 60 60 ILE HB H 1 1.743 0.01 . . . . . A 60 ILE HB . 19530 1 527 . 1 1 60 60 ILE HG12 H 1 1.366 0.008 . . . . . A 60 ILE HG12 . 19530 1 528 . 1 1 60 60 ILE HG13 H 1 1.145 0.006 . . . . . A 60 ILE HG13 . 19530 1 529 . 1 1 60 60 ILE HG21 H 1 0.949 0.002 . . . . . A 60 ILE HG21 . 19530 1 530 . 1 1 60 60 ILE HG22 H 1 0.949 0.002 . . . . . A 60 ILE HG22 . 19530 1 531 . 1 1 60 60 ILE HG23 H 1 0.949 0.002 . . . . . A 60 ILE HG23 . 19530 1 532 . 1 1 60 60 ILE HD11 H 1 0.784 0.005 . . . . . A 60 ILE HD11 . 19530 1 533 . 1 1 60 60 ILE HD12 H 1 0.784 0.005 . . . . . A 60 ILE HD12 . 19530 1 534 . 1 1 60 60 ILE HD13 H 1 0.784 0.005 . . . . . A 60 ILE HD13 . 19530 1 535 . 1 1 60 60 ILE CA C 13 56.751 0.032 . . . . . A 60 ILE CA . 19530 1 536 . 1 1 60 60 ILE CB C 13 38.023 0.055 . . . . . A 60 ILE CB . 19530 1 537 . 1 1 60 60 ILE CG1 C 13 24.787 0.049 . . . . . A 60 ILE CG1 . 19530 1 538 . 1 1 60 60 ILE CG2 C 13 15.053 0.023 . . . . . A 60 ILE CG2 . 19530 1 539 . 1 1 60 60 ILE CD1 C 13 9.994 0.027 . . . . . A 60 ILE CD1 . 19530 1 540 . 1 1 60 60 ILE N N 15 116.012 0.029 . . . . . A 60 ILE N . 19530 1 541 . 1 1 61 61 GLN H H 1 8.204 0.007 . . . . . A 61 GLN H . 19530 1 542 . 1 1 61 61 GLN HA H 1 3.892 0.002 . . . . . A 61 GLN HA . 19530 1 543 . 1 1 61 61 GLN HB2 H 1 1.631 0.01 . . . . . A 61 GLN HB2 . 19530 1 544 . 1 1 61 61 GLN HB3 H 1 1.136 0.006 . . . . . A 61 GLN HB3 . 19530 1 545 . 1 1 61 61 GLN HG2 H 1 1.285 0.01 . . . . . A 61 GLN HG2 . 19530 1 546 . 1 1 61 61 GLN HG3 H 1 1.285 0.01 . . . . . A 61 GLN HG3 . 19530 1 547 . 1 1 61 61 GLN HE21 H 1 7.018 0.003 . . . . . A 61 GLN HE21 . 19530 1 548 . 1 1 61 61 GLN HE22 H 1 6.341 0.003 . . . . . A 61 GLN HE22 . 19530 1 549 . 1 1 61 61 GLN CA C 13 51.532 0.029 . . . . . A 61 GLN CA . 19530 1 550 . 1 1 61 61 GLN CB C 13 24.461 0.010 . . . . . A 61 GLN CB . 19530 1 551 . 1 1 61 61 GLN CG C 13 30.422 0.027 . . . . . A 61 GLN CG . 19530 1 552 . 1 1 61 61 GLN NE2 N 15 110.019 0.023 . . . . . A 61 GLN NE2 . 19530 1 553 . 1 1 62 62 SER H H 1 7.008 0.013 . . . . . A 62 SER H . 19530 1 554 . 1 1 62 62 SER HA H 1 4.054 0.026 . . . . . A 62 SER HA . 19530 1 555 . 1 1 62 62 SER HB2 H 1 3.727 0.009 . . . . . A 62 SER HB2 . 19530 1 556 . 1 1 62 62 SER HB3 H 1 3.727 0.009 . . . . . A 62 SER HB3 . 19530 1 557 . 1 1 62 62 SER CB C 13 62.621 0.072 . . . . . A 62 SER CB . 19530 1 558 . 1 1 62 62 SER N N 15 113.482 0.027 . . . . . A 62 SER N . 19530 1 559 . 1 1 63 63 GLY HA2 H 1 4.108 0.005 . . . . . A 63 GLY HA2 . 19530 1 560 . 1 1 63 63 GLY HA3 H 1 3.895 0.011 . . . . . A 63 GLY HA3 . 19530 1 561 . 1 1 63 63 GLY CA C 13 45.737 0.042 . . . . . A 63 GLY CA . 19530 1 562 . 1 1 64 64 ILE H H 1 6.176 0.011 . . . . . A 64 ILE H . 19530 1 563 . 1 1 64 64 ILE HA H 1 4.116 0.007 . . . . . A 64 ILE HA . 19530 1 564 . 1 1 64 64 ILE HB H 1 2.042 0.002 . . . . . A 64 ILE HB . 19530 1 565 . 1 1 64 64 ILE HG12 H 1 0.659 0.004 . . . . . A 64 ILE HG12 . 19530 1 566 . 1 1 64 64 ILE HG13 H 1 -0.431 0.011 . . . . . A 64 ILE HG13 . 19530 1 567 . 1 1 64 64 ILE HG21 H 1 0.628 0.01 . . . . . A 64 ILE HG21 . 19530 1 568 . 1 1 64 64 ILE HG22 H 1 0.628 0.01 . . . . . A 64 ILE HG22 . 19530 1 569 . 1 1 64 64 ILE HG23 H 1 0.628 0.01 . . . . . A 64 ILE HG23 . 19530 1 570 . 1 1 64 64 ILE HD11 H 1 0.437 0.004 . . . . . A 64 ILE HD11 . 19530 1 571 . 1 1 64 64 ILE HD12 H 1 0.437 0.004 . . . . . A 64 ILE HD12 . 19530 1 572 . 1 1 64 64 ILE HD13 H 1 0.437 0.004 . . . . . A 64 ILE HD13 . 19530 1 573 . 1 1 64 64 ILE CA C 13 59.148 0.04 . . . . . A 64 ILE CA . 19530 1 574 . 1 1 64 64 ILE CB C 13 35.319 0.031 . . . . . A 64 ILE CB . 19530 1 575 . 1 1 64 64 ILE CG1 C 13 22.206 0.019 . . . . . A 64 ILE CG1 . 19530 1 576 . 1 1 64 64 ILE CG2 C 13 15.416 0.05 . . . . . A 64 ILE CG2 . 19530 1 577 . 1 1 64 64 ILE CD1 C 13 12.206 0.017 . . . . . A 64 ILE CD1 . 19530 1 578 . 1 1 64 64 ILE N N 15 118.021 0.041 . . . . . A 64 ILE N . 19530 1 579 . 1 1 65 65 PHE H H 1 7.123 0.012 . . . . . A 65 PHE H . 19530 1 580 . 1 1 65 65 PHE HA H 1 4.571 0.007 . . . . . A 65 PHE HA . 19530 1 581 . 1 1 65 65 PHE HB2 H 1 2.946 0.012 . . . . . A 65 PHE HB2 . 19530 1 582 . 1 1 65 65 PHE HB3 H 1 2.409 0.012 . . . . . A 65 PHE HB3 . 19530 1 583 . 1 1 65 65 PHE HD1 H 1 7.156 0.01 . . . . . A 65 PHE HD1 . 19530 1 584 . 1 1 65 65 PHE HD2 H 1 7.156 0.01 . . . . . A 65 PHE HD2 . 19530 1 585 . 1 1 65 65 PHE HE1 H 1 6.887 0.006 . . . . . A 65 PHE HE1 . 19530 1 586 . 1 1 65 65 PHE HE2 H 1 6.887 0.006 . . . . . A 65 PHE HE2 . 19530 1 587 . 1 1 65 65 PHE HZ H 1 6.686 0.015 . . . . . A 65 PHE HZ . 19530 1 588 . 1 1 65 65 PHE CA C 13 55.494 0.069 . . . . . A 65 PHE CA . 19530 1 589 . 1 1 65 65 PHE CB C 13 36.251 0.067 . . . . . A 65 PHE CB . 19530 1 590 . 1 1 65 65 PHE CD1 C 13 130.061 0.02 . . . . . A 65 PHE CD1 . 19530 1 591 . 1 1 65 65 PHE CZ C 13 126.579 0.041 . . . . . A 65 PHE CZ . 19530 1 592 . 1 1 65 65 PHE N N 15 122.624 0.014 . . . . . A 65 PHE N . 19530 1 593 . 1 1 66 66 GLY H H 1 7.765 0.007 . . . . . A 66 GLY H . 19530 1 594 . 1 1 66 66 GLY HA2 H 1 3.637 0.008 . . . . . A 66 GLY HA2 . 19530 1 595 . 1 1 66 66 GLY HA3 H 1 2.608 0.008 . . . . . A 66 GLY HA3 . 19530 1 596 . 1 1 66 66 GLY CA C 13 42.78 0.044 . . . . . A 66 GLY CA . 19530 1 597 . 1 1 66 66 GLY N N 15 115.125 0.014 . . . . . A 66 GLY N . 19530 1 598 . 1 1 67 67 LYS H H 1 8.317 0.003 . . . . . A 67 LYS H . 19530 1 599 . 1 1 67 67 LYS HA H 1 3.935 0.006 . . . . . A 67 LYS HA . 19530 1 600 . 1 1 67 67 LYS HB2 H 1 1.74 0.013 . . . . . A 67 LYS HB2 . 19530 1 601 . 1 1 67 67 LYS HB3 H 1 1.74 0.013 . . . . . A 67 LYS HB3 . 19530 1 602 . 1 1 67 67 LYS HG2 H 1 1.296 0.005 . . . . . A 67 LYS HG2 . 19530 1 603 . 1 1 67 67 LYS HG3 H 1 1.43 0.007 . . . . . A 67 LYS HG3 . 19530 1 604 . 1 1 67 67 LYS HD2 H 1 1.29 0.011 . . . . . A 67 LYS HD2 . 19530 1 605 . 1 1 67 67 LYS CA C 13 55.012 0.033 . . . . . A 67 LYS CA . 19530 1 606 . 1 1 67 67 LYS CB C 13 28.753 0.010 . . . . . A 67 LYS CB . 19530 1 607 . 1 1 67 67 LYS CG C 13 22.712 0.05 . . . . . A 67 LYS CG . 19530 1 608 . 1 1 67 67 LYS N N 15 122.536 0.063 . . . . . A 67 LYS N . 19530 1 609 . 1 1 68 68 GLY H H 1 8.099 0.002 . . . . . A 68 GLY H . 19530 1 610 . 1 1 68 68 GLY HA2 H 1 3.614 0.008 . . . . . A 68 GLY HA2 . 19530 1 611 . 1 1 68 68 GLY HA3 H 1 1.136 0.012 . . . . . A 68 GLY HA3 . 19530 1 612 . 1 1 68 68 GLY CA C 13 41.935 0.171 . . . . . A 68 GLY CA . 19530 1 613 . 1 1 68 68 GLY N N 15 109.642 0.029 . . . . . A 68 GLY N . 19530 1 614 . 1 1 69 69 SER H H 1 6.768 0.007 . . . . . A 69 SER H . 19530 1 615 . 1 1 69 69 SER HA H 1 3.909 0.013 . . . . . A 69 SER HA . 19530 1 616 . 1 1 69 69 SER HB2 H 1 3.83 0.007 . . . . . A 69 SER HB2 . 19530 1 617 . 1 1 69 69 SER HB3 H 1 3.627 0.005 . . . . . A 69 SER HB3 . 19530 1 618 . 1 1 69 69 SER CA C 13 58.325 0.048 . . . . . A 69 SER CA . 19530 1 619 . 1 1 69 69 SER CB C 13 60.337 0.082 . . . . . A 69 SER CB . 19530 1 620 . 1 1 69 69 SER N N 15 113.169 0.01 . . . . . A 69 SER N . 19530 1 621 . 1 1 70 70 ALA H H 1 8.312 0.002 . . . . . A 70 ALA H . 19530 1 622 . 1 1 70 70 ALA HA H 1 4.238 0.002 . . . . . A 70 ALA HA . 19530 1 623 . 1 1 70 70 ALA HB1 H 1 1.169 0.01 . . . . . A 70 ALA HB1 . 19530 1 624 . 1 1 70 70 ALA HB2 H 1 1.169 0.01 . . . . . A 70 ALA HB2 . 19530 1 625 . 1 1 70 70 ALA HB3 H 1 1.169 0.01 . . . . . A 70 ALA HB3 . 19530 1 626 . 1 1 70 70 ALA CA C 13 49.817 0.024 . . . . . A 70 ALA CA . 19530 1 627 . 1 1 70 70 ALA CB C 13 16.03 0.004 . . . . . A 70 ALA CB . 19530 1 628 . 1 1 70 70 ALA N N 15 121.957 0.058 . . . . . A 70 ALA N . 19530 1 629 . 1 1 71 71 TYR H H 1 8.115 0.005 . . . . . A 71 TYR H . 19530 1 630 . 1 1 71 71 TYR HA H 1 4.526 0.013 . . . . . A 71 TYR HA . 19530 1 631 . 1 1 71 71 TYR HB2 H 1 3.184 0.006 . . . . . A 71 TYR HB2 . 19530 1 632 . 1 1 71 71 TYR HB3 H 1 2.924 0.007 . . . . . A 71 TYR HB3 . 19530 1 633 . 1 1 71 71 TYR HD1 H 1 6.858 0.005 . . . . . A 71 TYR HD1 . 19530 1 634 . 1 1 71 71 TYR HD2 H 1 6.858 0.005 . . . . . A 71 TYR HD2 . 19530 1 635 . 1 1 71 71 TYR HE1 H 1 6.641 0.006 . . . . . A 71 TYR HE1 . 19530 1 636 . 1 1 71 71 TYR HE2 H 1 6.641 0.006 . . . . . A 71 TYR HE2 . 19530 1 637 . 1 1 71 71 TYR CA C 13 55.299 0.128 . . . . . A 71 TYR CA . 19530 1 638 . 1 1 71 71 TYR CB C 13 35.907 0.06 . . . . . A 71 TYR CB . 19530 1 639 . 1 1 71 71 TYR CD2 C 13 129.684 0.111 . . . . . A 71 TYR CD2 . 19530 1 640 . 1 1 71 71 TYR CE2 C 13 115.4 0.007 . . . . . A 71 TYR CE2 . 19530 1 641 . 1 1 71 71 TYR N N 15 120.043 0.028 . . . . . A 71 TYR N . 19530 1 642 . 1 1 72 72 SER H H 1 8.588 0.003 . . . . . A 72 SER H . 19530 1 643 . 1 1 72 72 SER HA H 1 4.356 0.011 . . . . . A 72 SER HA . 19530 1 644 . 1 1 72 72 SER HB2 H 1 4.343 0.001 . . . . . A 72 SER HB2 . 19530 1 645 . 1 1 72 72 SER HB3 H 1 4.101 0.006 . . . . . A 72 SER HB3 . 19530 1 646 . 1 1 72 72 SER CB C 13 62.211 0.028 . . . . . A 72 SER CB . 19530 1 647 . 1 1 72 72 SER N N 15 114.462 0.034 . . . . . A 72 SER N . 19530 1 648 . 1 1 73 73 ARG HB2 H 1 1.826 0.005 . . . . . A 73 ARG HB2 . 19530 1 649 . 1 1 73 73 ARG HB3 H 1 1.826 0.005 . . . . . A 73 ARG HB3 . 19530 1 650 . 1 1 74 74 HIS H H 1 8.513 0.005 . . . . . A 74 HIS H . 19530 1 651 . 1 1 74 74 HIS HA H 1 4.343 0.006 . . . . . A 74 HIS HA . 19530 1 652 . 1 1 74 74 HIS HB2 H 1 3.161 0.003 . . . . . A 74 HIS HB2 . 19530 1 653 . 1 1 74 74 HIS HB3 H 1 2.914 0.007 . . . . . A 74 HIS HB3 . 19530 1 654 . 1 1 74 74 HIS HD2 H 1 6.787 0.001 . . . . . A 74 HIS HD2 . 19530 1 655 . 1 1 74 74 HIS CA C 13 56.866 0.172 . . . . . A 74 HIS CA . 19530 1 656 . 1 1 74 74 HIS CB C 13 28.026 0.047 . . . . . A 74 HIS CB . 19530 1 657 . 1 1 74 74 HIS N N 15 116.026 0.049 . . . . . A 74 HIS N . 19530 1 658 . 1 1 75 75 ASN H H 1 7.869 0.008 . . . . . A 75 ASN H . 19530 1 659 . 1 1 75 75 ASN HA H 1 4.78 0.005 . . . . . A 75 ASN HA . 19530 1 660 . 1 1 75 75 ASN HB2 H 1 2.77 0.005 . . . . . A 75 ASN HB2 . 19530 1 661 . 1 1 75 75 ASN HB3 H 1 3.21 0.004 . . . . . A 75 ASN HB3 . 19530 1 662 . 1 1 75 75 ASN CA C 13 53.735 0.010 . . . . . A 75 ASN CA . 19530 1 663 . 1 1 75 75 ASN CB C 13 35.83 0.059 . . . . . A 75 ASN CB . 19530 1 664 . 1 1 75 75 ASN N N 15 116.559 0.021 . . . . . A 75 ASN N . 19530 1 665 . 1 1 76 76 ALA H H 1 9.091 0.004 . . . . . A 76 ALA H . 19530 1 666 . 1 1 76 76 ALA HA H 1 3.909 0.011 . . . . . A 76 ALA HA . 19530 1 667 . 1 1 76 76 ALA HB1 H 1 1.545 0.01 . . . . . A 76 ALA HB1 . 19530 1 668 . 1 1 76 76 ALA HB2 H 1 1.545 0.01 . . . . . A 76 ALA HB2 . 19530 1 669 . 1 1 76 76 ALA HB3 H 1 1.545 0.01 . . . . . A 76 ALA HB3 . 19530 1 670 . 1 1 76 76 ALA CA C 13 53.014 0.041 . . . . . A 76 ALA CA . 19530 1 671 . 1 1 76 76 ALA CB C 13 16.311 0.034 . . . . . A 76 ALA CB . 19530 1 672 . 1 1 76 76 ALA N N 15 124.303 0.035 . . . . . A 76 ALA N . 19530 1 673 . 1 1 77 77 GLU H H 1 8.707 0.003 . . . . . A 77 GLU H . 19530 1 674 . 1 1 77 77 GLU HA H 1 3.797 0.008 . . . . . A 77 GLU HA . 19530 1 675 . 1 1 77 77 GLU HB2 H 1 1.901 0.009 . . . . . A 77 GLU HB2 . 19530 1 676 . 1 1 77 77 GLU HB3 H 1 2.232 0.01 . . . . . A 77 GLU HB3 . 19530 1 677 . 1 1 77 77 GLU HG2 H 1 2.502 0.004 . . . . . A 77 GLU HG2 . 19530 1 678 . 1 1 77 77 GLU HG3 H 1 2.502 0.004 . . . . . A 77 GLU HG3 . 19530 1 679 . 1 1 77 77 GLU CA C 13 57.574 0.019 . . . . . A 77 GLU CA . 19530 1 680 . 1 1 77 77 GLU CB C 13 26.934 0.126 . . . . . A 77 GLU CB . 19530 1 681 . 1 1 77 77 GLU CG C 13 35.015 0.078 . . . . . A 77 GLU CG . 19530 1 682 . 1 1 77 77 GLU N N 15 117.259 0.011 . . . . . A 77 GLU N . 19530 1 683 . 1 1 78 78 ARG H H 1 7.851 0.005 . . . . . A 78 ARG H . 19530 1 684 . 1 1 78 78 ARG HA H 1 3.804 0.004 . . . . . A 78 ARG HA . 19530 1 685 . 1 1 78 78 ARG HB2 H 1 2.102 0.005 . . . . . A 78 ARG HB2 . 19530 1 686 . 1 1 78 78 ARG HB3 H 1 2.102 0.005 . . . . . A 78 ARG HB3 . 19530 1 687 . 1 1 78 78 ARG HG2 H 1 1.733 0.005 . . . . . A 78 ARG HG2 . 19530 1 688 . 1 1 78 78 ARG HG3 H 1 1.733 0.005 . . . . . A 78 ARG HG3 . 19530 1 689 . 1 1 78 78 ARG CA C 13 57.589 0.010 . . . . . A 78 ARG CA . 19530 1 690 . 1 1 78 78 ARG N N 15 117.556 0.018 . . . . . A 78 ARG N . 19530 1 691 . 1 1 79 79 LEU H H 1 8.262 0.004 . . . . . A 79 LEU H . 19530 1 692 . 1 1 79 79 LEU HA H 1 3.454 0.006 . . . . . A 79 LEU HA . 19530 1 693 . 1 1 79 79 LEU HB2 H 1 0.472 0.015 . . . . . A 79 LEU HB2 . 19530 1 694 . 1 1 79 79 LEU HB3 H 1 1.536 0.005 . . . . . A 79 LEU HB3 . 19530 1 695 . 1 1 79 79 LEU HG H 1 0.469 0.038 . . . . . A 79 LEU HG . 19530 1 696 . 1 1 79 79 LEU HD11 H 1 0.003 0.003 . . . . . A 79 LEU HD11 . 19530 1 697 . 1 1 79 79 LEU HD12 H 1 0.003 0.003 . . . . . A 79 LEU HD12 . 19530 1 698 . 1 1 79 79 LEU HD13 H 1 0.003 0.003 . . . . . A 79 LEU HD13 . 19530 1 699 . 1 1 79 79 LEU HD21 H 1 -0.011 0.008 . . . . . A 79 LEU HD21 . 19530 1 700 . 1 1 79 79 LEU HD22 H 1 -0.011 0.008 . . . . . A 79 LEU HD22 . 19530 1 701 . 1 1 79 79 LEU HD23 H 1 -0.011 0.008 . . . . . A 79 LEU HD23 . 19530 1 702 . 1 1 79 79 LEU CA C 13 55.672 0.032 . . . . . A 79 LEU CA . 19530 1 703 . 1 1 79 79 LEU CB C 13 37.311 0.089 . . . . . A 79 LEU CB . 19530 1 704 . 1 1 79 79 LEU CG C 13 24.084 0.073 . . . . . A 79 LEU CG . 19530 1 705 . 1 1 79 79 LEU CD1 C 13 22.193 0.018 . . . . . A 79 LEU CD1 . 19530 1 706 . 1 1 79 79 LEU CD2 C 13 19.29 0.032 . . . . . A 79 LEU CD2 . 19530 1 707 . 1 1 79 79 LEU N N 15 122.886 0.014 . . . . . A 79 LEU N . 19530 1 708 . 1 1 80 80 PHE H H 1 7.848 0.006 . . . . . A 80 PHE H . 19530 1 709 . 1 1 80 80 PHE HA H 1 3.497 0.009 . . . . . A 80 PHE HA . 19530 1 710 . 1 1 80 80 PHE HB2 H 1 2.803 0.065 . . . . . A 80 PHE HB2 . 19530 1 711 . 1 1 80 80 PHE HB3 H 1 2.761 0.071 . . . . . A 80 PHE HB3 . 19530 1 712 . 1 1 80 80 PHE HD1 H 1 7.034 0.014 . . . . . A 80 PHE HD1 . 19530 1 713 . 1 1 80 80 PHE HD2 H 1 7.034 0.014 . . . . . A 80 PHE HD2 . 19530 1 714 . 1 1 80 80 PHE HE1 H 1 6.437 0.006 . . . . . A 80 PHE HE1 . 19530 1 715 . 1 1 80 80 PHE HE2 H 1 6.437 0.006 . . . . . A 80 PHE HE2 . 19530 1 716 . 1 1 80 80 PHE HZ H 1 6.13 0.005 . . . . . A 80 PHE HZ . 19530 1 717 . 1 1 80 80 PHE CA C 13 61.416 0.034 . . . . . A 80 PHE CA . 19530 1 718 . 1 1 80 80 PHE CB C 13 36.279 0.053 . . . . . A 80 PHE CB . 19530 1 719 . 1 1 80 80 PHE CD1 C 13 128.568 0.096 . . . . . A 80 PHE CD1 . 19530 1 720 . 1 1 80 80 PHE CD2 C 13 127.895 0.047 . . . . . A 80 PHE CD2 . 19530 1 721 . 1 1 80 80 PHE CE1 C 13 127.943 0.109 . . . . . A 80 PHE CE1 . 19530 1 722 . 1 1 80 80 PHE CE2 C 13 128.087 0.068 . . . . . A 80 PHE CE2 . 19530 1 723 . 1 1 80 80 PHE CZ C 13 125.297 0.046 . . . . . A 80 PHE CZ . 19530 1 724 . 1 1 80 80 PHE N N 15 116.592 0.017 . . . . . A 80 PHE N . 19530 1 725 . 1 1 81 81 LYS H H 1 8.4 0.003 . . . . . A 81 LYS H . 19530 1 726 . 1 1 81 81 LYS HA H 1 3.839 0.008 . . . . . A 81 LYS HA . 19530 1 727 . 1 1 81 81 LYS HB2 H 1 1.792 0.007 . . . . . A 81 LYS HB2 . 19530 1 728 . 1 1 81 81 LYS HB3 H 1 1.792 0.007 . . . . . A 81 LYS HB3 . 19530 1 729 . 1 1 81 81 LYS HG2 H 1 1.349 0.005 . . . . . A 81 LYS HG2 . 19530 1 730 . 1 1 81 81 LYS HG3 H 1 1.565 0.003 . . . . . A 81 LYS HG3 . 19530 1 731 . 1 1 81 81 LYS HD2 H 1 1.917 0.005 . . . . . A 81 LYS HD2 . 19530 1 732 . 1 1 81 81 LYS HD3 H 1 1.917 0.005 . . . . . A 81 LYS HD3 . 19530 1 733 . 1 1 81 81 LYS HE2 H 1 2.836 0.008 . . . . . A 81 LYS HE2 . 19530 1 734 . 1 1 81 81 LYS HE3 H 1 2.836 0.008 . . . . . A 81 LYS HE3 . 19530 1 735 . 1 1 81 81 LYS CA C 13 57.224 0.098 . . . . . A 81 LYS CA . 19530 1 736 . 1 1 81 81 LYS CB C 13 29.542 0.118 . . . . . A 81 LYS CB . 19530 1 737 . 1 1 81 81 LYS CG C 13 23.274 0.075 . . . . . A 81 LYS CG . 19530 1 738 . 1 1 81 81 LYS CD C 13 27.378 0.010 . . . . . A 81 LYS CD . 19530 1 739 . 1 1 81 81 LYS N N 15 117.535 0.04 . . . . . A 81 LYS N . 19530 1 740 . 1 1 82 82 LYS H H 1 8.009 0.006 . . . . . A 82 LYS H . 19530 1 741 . 1 1 82 82 LYS HA H 1 4.009 0.009 . . . . . A 82 LYS HA . 19530 1 742 . 1 1 82 82 LYS HB2 H 1 1.93 0.008 . . . . . A 82 LYS HB2 . 19530 1 743 . 1 1 82 82 LYS HB3 H 1 1.93 0.008 . . . . . A 82 LYS HB3 . 19530 1 744 . 1 1 82 82 LYS HG2 H 1 1.198 0.008 . . . . . A 82 LYS HG2 . 19530 1 745 . 1 1 82 82 LYS HG3 H 1 1.498 0.01 . . . . . A 82 LYS HG3 . 19530 1 746 . 1 1 82 82 LYS HD2 H 1 1.47 0.012 . . . . . A 82 LYS HD2 . 19530 1 747 . 1 1 82 82 LYS HD3 H 1 1.47 0.012 . . . . . A 82 LYS HD3 . 19530 1 748 . 1 1 82 82 LYS HE2 H 1 2.831 0.002 . . . . . A 82 LYS HE2 . 19530 1 749 . 1 1 82 82 LYS HE3 H 1 3.342 0.001 . . . . . A 82 LYS HE3 . 19530 1 750 . 1 1 82 82 LYS CA C 13 56.608 0.016 . . . . . A 82 LYS CA . 19530 1 751 . 1 1 82 82 LYS CB C 13 29.409 0.010 . . . . . A 82 LYS CB . 19530 1 752 . 1 1 82 82 LYS CG C 13 22.669 0.075 . . . . . A 82 LYS CG . 19530 1 753 . 1 1 82 82 LYS CD C 13 27.494 0.032 . . . . . A 82 LYS CD . 19530 1 754 . 1 1 82 82 LYS CE C 13 40.065 0.247 . . . . . A 82 LYS CE . 19530 1 755 . 1 1 82 82 LYS N N 15 121.994 0.031 . . . . . A 82 LYS N . 19530 1 756 . 1 1 83 83 LEU H H 1 7.989 0.008 . . . . . A 83 LEU H . 19530 1 757 . 1 1 83 83 LEU HA H 1 3.806 0.009 . . . . . A 83 LEU HA . 19530 1 758 . 1 1 83 83 LEU HB2 H 1 1.936 0.007 . . . . . A 83 LEU HB2 . 19530 1 759 . 1 1 83 83 LEU HB3 H 1 0.934 0.016 . . . . . A 83 LEU HB3 . 19530 1 760 . 1 1 83 83 LEU HG H 1 1.94 0.001 . . . . . A 83 LEU HG . 19530 1 761 . 1 1 83 83 LEU HD11 H 1 0.212 0.008 . . . . . A 83 LEU HD11 . 19530 1 762 . 1 1 83 83 LEU HD12 H 1 0.212 0.008 . . . . . A 83 LEU HD12 . 19530 1 763 . 1 1 83 83 LEU HD13 H 1 0.212 0.008 . . . . . A 83 LEU HD13 . 19530 1 764 . 1 1 83 83 LEU HD21 H 1 0.537 0.013 . . . . . A 83 LEU HD21 . 19530 1 765 . 1 1 83 83 LEU HD22 H 1 0.537 0.013 . . . . . A 83 LEU HD22 . 19530 1 766 . 1 1 83 83 LEU HD23 H 1 0.537 0.013 . . . . . A 83 LEU HD23 . 19530 1 767 . 1 1 83 83 LEU CA C 13 55.432 0.113 . . . . . A 83 LEU CA . 19530 1 768 . 1 1 83 83 LEU CB C 13 37.497 0.064 . . . . . A 83 LEU CB . 19530 1 769 . 1 1 83 83 LEU CG C 13 22.9 0.024 . . . . . A 83 LEU CG . 19530 1 770 . 1 1 83 83 LEU CD1 C 13 22.172 0.023 . . . . . A 83 LEU CD1 . 19530 1 771 . 1 1 83 83 LEU CD2 C 13 20.161 0.057 . . . . . A 83 LEU CD2 . 19530 1 772 . 1 1 83 83 LEU N N 15 116.189 0.031 . . . . . A 83 LEU N . 19530 1 773 . 1 1 84 84 ILE H H 1 7.59 0.005 . . . . . A 84 ILE H . 19530 1 774 . 1 1 84 84 ILE HA H 1 4.114 0.008 . . . . . A 84 ILE HA . 19530 1 775 . 1 1 84 84 ILE HB H 1 1.831 0.014 . . . . . A 84 ILE HB . 19530 1 776 . 1 1 84 84 ILE HG12 H 1 1.716 0.008 . . . . . A 84 ILE HG12 . 19530 1 777 . 1 1 84 84 ILE HG13 H 1 0.679 0.005 . . . . . A 84 ILE HG13 . 19530 1 778 . 1 1 84 84 ILE HG21 H 1 0.847 0.007 . . . . . A 84 ILE HG21 . 19530 1 779 . 1 1 84 84 ILE HG22 H 1 0.847 0.007 . . . . . A 84 ILE HG22 . 19530 1 780 . 1 1 84 84 ILE HG23 H 1 0.847 0.007 . . . . . A 84 ILE HG23 . 19530 1 781 . 1 1 84 84 ILE HD11 H 1 0.685 0.003 . . . . . A 84 ILE HD11 . 19530 1 782 . 1 1 84 84 ILE HD12 H 1 0.685 0.003 . . . . . A 84 ILE HD12 . 19530 1 783 . 1 1 84 84 ILE HD13 H 1 0.685 0.003 . . . . . A 84 ILE HD13 . 19530 1 784 . 1 1 84 84 ILE CA C 13 60.415 0.118 . . . . . A 84 ILE CA . 19530 1 785 . 1 1 84 84 ILE CB C 13 35.704 0.053 . . . . . A 84 ILE CB . 19530 1 786 . 1 1 84 84 ILE CG1 C 13 27.551 0.03 . . . . . A 84 ILE CG1 . 19530 1 787 . 1 1 84 84 ILE CG2 C 13 14.909 0.048 . . . . . A 84 ILE CG2 . 19530 1 788 . 1 1 84 84 ILE CD1 C 13 10.778 0.072 . . . . . A 84 ILE CD1 . 19530 1 789 . 1 1 84 84 ILE N N 15 120.559 0.012 . . . . . A 84 ILE N . 19530 1 790 . 1 1 85 85 LEU H H 1 8.326 0.007 . . . . . A 85 LEU H . 19530 1 791 . 1 1 85 85 LEU HA H 1 4.025 0.002 . . . . . A 85 LEU HA . 19530 1 792 . 1 1 85 85 LEU HB2 H 1 1.695 0.006 . . . . . A 85 LEU HB2 . 19530 1 793 . 1 1 85 85 LEU HB3 H 1 1.772 0.025 . . . . . A 85 LEU HB3 . 19530 1 794 . 1 1 85 85 LEU HG H 1 1.698 0.014 . . . . . A 85 LEU HG . 19530 1 795 . 1 1 85 85 LEU HD21 H 1 0.859 0.006 . . . . . A 85 LEU HD21 . 19530 1 796 . 1 1 85 85 LEU HD22 H 1 0.859 0.006 . . . . . A 85 LEU HD22 . 19530 1 797 . 1 1 85 85 LEU HD23 H 1 0.859 0.006 . . . . . A 85 LEU HD23 . 19530 1 798 . 1 1 85 85 LEU CA C 13 55.625 0.037 . . . . . A 85 LEU CA . 19530 1 799 . 1 1 85 85 LEU CB C 13 38.949 0.02 . . . . . A 85 LEU CB . 19530 1 800 . 1 1 85 85 LEU CG C 13 24.307 0.071 . . . . . A 85 LEU CG . 19530 1 801 . 1 1 85 85 LEU CD2 C 13 21.658 0.04 . . . . . A 85 LEU CD2 . 19530 1 802 . 1 1 85 85 LEU N N 15 125.18 0.015 . . . . . A 85 LEU N . 19530 1 803 . 1 1 86 86 ASP H H 1 8.588 0.007 . . . . . A 86 ASP H . 19530 1 804 . 1 1 86 86 ASP HA H 1 4.446 0.007 . . . . . A 86 ASP HA . 19530 1 805 . 1 1 86 86 ASP HB2 H 1 2.616 0.024 . . . . . A 86 ASP HB2 . 19530 1 806 . 1 1 86 86 ASP HB3 H 1 2.616 0.024 . . . . . A 86 ASP HB3 . 19530 1 807 . 1 1 86 86 ASP CA C 13 52.219 0.007 . . . . . A 86 ASP CA . 19530 1 808 . 1 1 86 86 ASP CB C 13 38.012 0.03 . . . . . A 86 ASP CB . 19530 1 809 . 1 1 86 86 ASP N N 15 117.054 0.024 . . . . . A 86 ASP N . 19530 1 810 . 1 1 87 87 LYS H H 1 7.758 0.004 . . . . . A 87 LYS H . 19530 1 811 . 1 1 87 87 LYS HA H 1 4.275 0.006 . . . . . A 87 LYS HA . 19530 1 812 . 1 1 87 87 LYS HB2 H 1 2.143 0.006 . . . . . A 87 LYS HB2 . 19530 1 813 . 1 1 87 87 LYS HB3 H 1 2.143 0.006 . . . . . A 87 LYS HB3 . 19530 1 814 . 1 1 87 87 LYS HG2 H 1 1.408 0.01 . . . . . A 87 LYS HG2 . 19530 1 815 . 1 1 87 87 LYS HG3 H 1 1.35 0.011 . . . . . A 87 LYS HG3 . 19530 1 816 . 1 1 87 87 LYS CA C 13 54.603 0.014 . . . . . A 87 LYS CA . 19530 1 817 . 1 1 87 87 LYS CB C 13 25.293 0.451 . . . . . A 87 LYS CB . 19530 1 818 . 1 1 87 87 LYS CG C 13 22.149 0.033 . . . . . A 87 LYS CG . 19530 1 819 . 1 1 87 87 LYS N N 15 111.77 0.03 . . . . . A 87 LYS N . 19530 1 820 . 1 1 88 88 ILE H H 1 8.051 0.008 . . . . . A 88 ILE H . 19530 1 821 . 1 1 88 88 ILE HA H 1 3.341 0.006 . . . . . A 88 ILE HA . 19530 1 822 . 1 1 88 88 ILE HB H 1 1.581 0.01 . . . . . A 88 ILE HB . 19530 1 823 . 1 1 88 88 ILE HG12 H 1 1.549 0.003 . . . . . A 88 ILE HG12 . 19530 1 824 . 1 1 88 88 ILE HG13 H 1 0.588 0.011 . . . . . A 88 ILE HG13 . 19530 1 825 . 1 1 88 88 ILE HG21 H 1 0.602 0.005 . . . . . A 88 ILE HG21 . 19530 1 826 . 1 1 88 88 ILE HG22 H 1 0.602 0.005 . . . . . A 88 ILE HG22 . 19530 1 827 . 1 1 88 88 ILE HG23 H 1 0.602 0.005 . . . . . A 88 ILE HG23 . 19530 1 828 . 1 1 88 88 ILE HD11 H 1 0.748 0.005 . . . . . A 88 ILE HD11 . 19530 1 829 . 1 1 88 88 ILE HD12 H 1 0.748 0.005 . . . . . A 88 ILE HD12 . 19530 1 830 . 1 1 88 88 ILE HD13 H 1 0.748 0.005 . . . . . A 88 ILE HD13 . 19530 1 831 . 1 1 88 88 ILE CA C 13 62.673 0.015 . . . . . A 88 ILE CA . 19530 1 832 . 1 1 88 88 ILE CB C 13 36.038 0.108 . . . . . A 88 ILE CB . 19530 1 833 . 1 1 88 88 ILE CG1 C 13 27.372 0.097 . . . . . A 88 ILE CG1 . 19530 1 834 . 1 1 88 88 ILE CG2 C 13 15.519 0.007 . . . . . A 88 ILE CG2 . 19530 1 835 . 1 1 88 88 ILE CD1 C 13 12.241 0.027 . . . . . A 88 ILE CD1 . 19530 1 836 . 1 1 88 88 ILE N N 15 119.672 0.036 . . . . . A 88 ILE N . 19530 1 837 . 1 1 89 89 LEU H H 1 7.06 0.006 . . . . . A 89 LEU H . 19530 1 838 . 1 1 89 89 LEU HA H 1 4.824 0.014 . . . . . A 89 LEU HA . 19530 1 839 . 1 1 89 89 LEU HB2 H 1 1.177 0.009 . . . . . A 89 LEU HB2 . 19530 1 840 . 1 1 89 89 LEU HB3 H 1 1.529 0.016 . . . . . A 89 LEU HB3 . 19530 1 841 . 1 1 89 89 LEU HG H 1 0.763 0.012 . . . . . A 89 LEU HG . 19530 1 842 . 1 1 89 89 LEU HD11 H 1 0.831 0.011 . . . . . A 89 LEU HD11 . 19530 1 843 . 1 1 89 89 LEU HD12 H 1 0.831 0.011 . . . . . A 89 LEU HD12 . 19530 1 844 . 1 1 89 89 LEU HD13 H 1 0.831 0.011 . . . . . A 89 LEU HD13 . 19530 1 845 . 1 1 89 89 LEU HD21 H 1 0.831 0.011 . . . . . A 89 LEU HD21 . 19530 1 846 . 1 1 89 89 LEU HD22 H 1 0.831 0.011 . . . . . A 89 LEU HD22 . 19530 1 847 . 1 1 89 89 LEU HD23 H 1 0.831 0.011 . . . . . A 89 LEU HD23 . 19530 1 848 . 1 1 89 89 LEU CA C 13 49.475 0.010 . . . . . A 89 LEU CA . 19530 1 849 . 1 1 89 89 LEU CB C 13 42.402 0.042 . . . . . A 89 LEU CB . 19530 1 850 . 1 1 89 89 LEU CG C 13 23.134 0.081 . . . . . A 89 LEU CG . 19530 1 851 . 1 1 89 89 LEU N N 15 116.102 0.034 . . . . . A 89 LEU N . 19530 1 852 . 1 1 90 90 ASP H H 1 8.495 0.006 . . . . . A 90 ASP H . 19530 1 853 . 1 1 90 90 ASP HA H 1 4.824 0.007 . . . . . A 90 ASP HA . 19530 1 854 . 1 1 90 90 ASP HB2 H 1 2.259 0.009 . . . . . A 90 ASP HB2 . 19530 1 855 . 1 1 90 90 ASP HB3 H 1 2.259 0.009 . . . . . A 90 ASP HB3 . 19530 1 856 . 1 1 90 90 ASP CA C 13 49.5 0.054 . . . . . A 90 ASP CA . 19530 1 857 . 1 1 90 90 ASP CB C 13 41.977 0.035 . . . . . A 90 ASP CB . 19530 1 858 . 1 1 90 90 ASP N N 15 117.058 0.013 . . . . . A 90 ASP N . 19530 1 859 . 1 1 91 91 GLU H H 1 8.958 0.004 . . . . . A 91 GLU H . 19530 1 860 . 1 1 91 91 GLU HA H 1 5.143 0.004 . . . . . A 91 GLU HA . 19530 1 861 . 1 1 91 91 GLU HB2 H 1 1.755 0.01 . . . . . A 91 GLU HB2 . 19530 1 862 . 1 1 91 91 GLU HB3 H 1 1.659 0.008 . . . . . A 91 GLU HB3 . 19530 1 863 . 1 1 91 91 GLU HG2 H 1 2.034 0.011 . . . . . A 91 GLU HG2 . 19530 1 864 . 1 1 91 91 GLU HG3 H 1 1.856 0.003 . . . . . A 91 GLU HG3 . 19530 1 865 . 1 1 91 91 GLU CA C 13 52.175 0.016 . . . . . A 91 GLU CA . 19530 1 866 . 1 1 91 91 GLU CB C 13 31.467 0.05 . . . . . A 91 GLU CB . 19530 1 867 . 1 1 91 91 GLU CG C 13 35.258 0.008 . . . . . A 91 GLU CG . 19530 1 868 . 1 1 91 91 GLU N N 15 118.774 0.005 . . . . . A 91 GLU N . 19530 1 869 . 1 1 92 92 ASP H H 1 8.951 0.005 . . . . . A 92 ASP H . 19530 1 870 . 1 1 92 92 ASP HA H 1 4.757 0.009 . . . . . A 92 ASP HA . 19530 1 871 . 1 1 92 92 ASP HB2 H 1 2.547 0.004 . . . . . A 92 ASP HB2 . 19530 1 872 . 1 1 92 92 ASP HB3 H 1 2.547 0.004 . . . . . A 92 ASP HB3 . 19530 1 873 . 1 1 92 92 ASP CA C 13 49.785 0.012 . . . . . A 92 ASP CA . 19530 1 874 . 1 1 92 92 ASP CB C 13 41.199 0.085 . . . . . A 92 ASP CB . 19530 1 875 . 1 1 92 92 ASP N N 15 123.93 0.04 . . . . . A 92 ASP N . 19530 1 876 . 1 1 93 93 LEU H H 1 8.313 0.004 . . . . . A 93 LEU H . 19530 1 877 . 1 1 93 93 LEU HA H 1 4.715 0.005 . . . . . A 93 LEU HA . 19530 1 878 . 1 1 93 93 LEU HB2 H 1 1.342 0.013 . . . . . A 93 LEU HB2 . 19530 1 879 . 1 1 93 93 LEU HB3 H 1 1.507 0.009 . . . . . A 93 LEU HB3 . 19530 1 880 . 1 1 93 93 LEU HG H 1 1.401 0.005 . . . . . A 93 LEU HG . 19530 1 881 . 1 1 93 93 LEU HD11 H 1 0.689 0.004 . . . . . A 93 LEU HD11 . 19530 1 882 . 1 1 93 93 LEU HD12 H 1 0.689 0.004 . . . . . A 93 LEU HD12 . 19530 1 883 . 1 1 93 93 LEU HD13 H 1 0.689 0.004 . . . . . A 93 LEU HD13 . 19530 1 884 . 1 1 93 93 LEU HD21 H 1 0.689 0.004 . . . . . A 93 LEU HD21 . 19530 1 885 . 1 1 93 93 LEU HD22 H 1 0.689 0.004 . . . . . A 93 LEU HD22 . 19530 1 886 . 1 1 93 93 LEU HD23 H 1 0.689 0.004 . . . . . A 93 LEU HD23 . 19530 1 887 . 1 1 93 93 LEU CA C 13 52.221 0.063 . . . . . A 93 LEU CA . 19530 1 888 . 1 1 93 93 LEU CB C 13 40.583 0.081 . . . . . A 93 LEU CB . 19530 1 889 . 1 1 93 93 LEU CG C 13 24.517 0.082 . . . . . A 93 LEU CG . 19530 1 890 . 1 1 93 93 LEU N N 15 124.663 0.069 . . . . . A 93 LEU N . 19530 1 891 . 1 1 94 94 TYR H H 1 9.099 0.003 . . . . . A 94 TYR H . 19530 1 892 . 1 1 94 94 TYR HB2 H 1 2.95 0.014 . . . . . A 94 TYR HB2 . 19530 1 893 . 1 1 94 94 TYR HB3 H 1 2.95 0.014 . . . . . A 94 TYR HB3 . 19530 1 894 . 1 1 94 94 TYR HD1 H 1 7.034 0.005 . . . . . A 94 TYR HD1 . 19530 1 895 . 1 1 94 94 TYR HD2 H 1 7.034 0.005 . . . . . A 94 TYR HD2 . 19530 1 896 . 1 1 94 94 TYR HE1 H 1 6.677 0.001 . . . . . A 94 TYR HE1 . 19530 1 897 . 1 1 94 94 TYR HE2 H 1 6.677 0.001 . . . . . A 94 TYR HE2 . 19530 1 898 . 1 1 94 94 TYR CD2 C 13 130.605 0.082 . . . . . A 94 TYR CD2 . 19530 1 899 . 1 1 94 94 TYR N N 15 126.919 0.04 . . . . . A 94 TYR N . 19530 1 900 . 1 1 95 95 ILE H H 1 7.987 0.011 . . . . . A 95 ILE H . 19530 1 901 . 1 1 95 95 ILE HA H 1 4.333 0.005 . . . . . A 95 ILE HA . 19530 1 902 . 1 1 95 95 ILE HB H 1 1.599 0.011 . . . . . A 95 ILE HB . 19530 1 903 . 1 1 95 95 ILE HG12 H 1 1.282 0.006 . . . . . A 95 ILE HG12 . 19530 1 904 . 1 1 95 95 ILE HG13 H 1 0.964 0.009 . . . . . A 95 ILE HG13 . 19530 1 905 . 1 1 95 95 ILE HG21 H 1 0.733 0.011 . . . . . A 95 ILE HG21 . 19530 1 906 . 1 1 95 95 ILE HG22 H 1 0.733 0.011 . . . . . A 95 ILE HG22 . 19530 1 907 . 1 1 95 95 ILE HG23 H 1 0.733 0.011 . . . . . A 95 ILE HG23 . 19530 1 908 . 1 1 95 95 ILE HD11 H 1 0.637 0.001 . . . . . A 95 ILE HD11 . 19530 1 909 . 1 1 95 95 ILE HD12 H 1 0.637 0.001 . . . . . A 95 ILE HD12 . 19530 1 910 . 1 1 95 95 ILE HD13 H 1 0.637 0.001 . . . . . A 95 ILE HD13 . 19530 1 911 . 1 1 95 95 ILE CA C 13 56.985 0.119 . . . . . A 95 ILE CA . 19530 1 912 . 1 1 95 95 ILE CB C 13 35.02 0.057 . . . . . A 95 ILE CB . 19530 1 913 . 1 1 95 95 ILE CG1 C 13 24.593 0.118 . . . . . A 95 ILE CG1 . 19530 1 914 . 1 1 95 95 ILE CG2 C 13 14.927 0.053 . . . . . A 95 ILE CG2 . 19530 1 915 . 1 1 95 95 ILE CD1 C 13 9.127 0.084 . . . . . A 95 ILE CD1 . 19530 1 916 . 1 1 95 95 ILE N N 15 126.283 0.019 . . . . . A 95 ILE N . 19530 1 917 . 1 1 96 96 ASN H H 1 8.216 0.01 . . . . . A 96 ASN H . 19530 1 918 . 1 1 96 96 ASN HA H 1 4.542 0.003 . . . . . A 96 ASN HA . 19530 1 919 . 1 1 96 96 ASN HB2 H 1 3.333 0.008 . . . . . A 96 ASN HB2 . 19530 1 920 . 1 1 96 96 ASN HB3 H 1 2.808 0.007 . . . . . A 96 ASN HB3 . 19530 1 921 . 1 1 96 96 ASN HD21 H 1 7.558 0.015 . . . . . A 96 ASN HD21 . 19530 1 922 . 1 1 96 96 ASN HD22 H 1 7.208 0.001 . . . . . A 96 ASN HD22 . 19530 1 923 . 1 1 96 96 ASN CA C 13 48.897 0.02 . . . . . A 96 ASN CA . 19530 1 924 . 1 1 96 96 ASN CB C 13 36.74 0.037 . . . . . A 96 ASN CB . 19530 1 925 . 1 1 96 96 ASN N N 15 125.247 0.038 . . . . . A 96 ASN N . 19530 1 926 . 1 1 96 96 ASN ND2 N 15 112.251 0.051 . . . . . A 96 ASN ND2 . 19530 1 927 . 1 1 97 97 ALA H H 1 8.19 0.011 . . . . . A 97 ALA H . 19530 1 928 . 1 1 97 97 ALA HA H 1 4.073 0.005 . . . . . A 97 ALA HA . 19530 1 929 . 1 1 97 97 ALA HB1 H 1 1.336 0.007 . . . . . A 97 ALA HB1 . 19530 1 930 . 1 1 97 97 ALA HB2 H 1 1.336 0.007 . . . . . A 97 ALA HB2 . 19530 1 931 . 1 1 97 97 ALA HB3 H 1 1.336 0.007 . . . . . A 97 ALA HB3 . 19530 1 932 . 1 1 97 97 ALA CA C 13 51.269 0.091 . . . . . A 97 ALA CA . 19530 1 933 . 1 1 97 97 ALA CB C 13 15.669 0.099 . . . . . A 97 ALA CB . 19530 1 934 . 1 1 98 98 ASN H H 1 7.807 0.005 . . . . . A 98 ASN H . 19530 1 935 . 1 1 98 98 ASN HA H 1 4.728 0.008 . . . . . A 98 ASN HA . 19530 1 936 . 1 1 98 98 ASN HB2 H 1 2.506 0.008 . . . . . A 98 ASN HB2 . 19530 1 937 . 1 1 98 98 ASN HB3 H 1 2.917 0.011 . . . . . A 98 ASN HB3 . 19530 1 938 . 1 1 98 98 ASN HD21 H 1 7.41 0.001 . . . . . A 98 ASN HD21 . 19530 1 939 . 1 1 98 98 ASN HD22 H 1 6.821 0.001 . . . . . A 98 ASN HD22 . 19530 1 940 . 1 1 98 98 ASN CA C 13 50.111 0.075 . . . . . A 98 ASN CA . 19530 1 941 . 1 1 98 98 ASN CB C 13 35.889 0.036 . . . . . A 98 ASN CB . 19530 1 942 . 1 1 98 98 ASN N N 15 115.491 0.012 . . . . . A 98 ASN N . 19530 1 943 . 1 1 98 98 ASN ND2 N 15 112.213 0.053 . . . . . A 98 ASN ND2 . 19530 1 944 . 1 1 99 99 ASP H H 1 8.151 0.004 . . . . . A 99 ASP H . 19530 1 945 . 1 1 99 99 ASP HA H 1 4.193 0.014 . . . . . A 99 ASP HA . 19530 1 946 . 1 1 99 99 ASP HB2 H 1 2.642 0.005 . . . . . A 99 ASP HB2 . 19530 1 947 . 1 1 99 99 ASP HB3 H 1 2.832 0.003 . . . . . A 99 ASP HB3 . 19530 1 948 . 1 1 99 99 ASP CA C 13 52.98 0.101 . . . . . A 99 ASP CA . 19530 1 949 . 1 1 99 99 ASP CB C 13 36.987 0.048 . . . . . A 99 ASP CB . 19530 1 950 . 1 1 99 99 ASP N N 15 115.8 0.015 . . . . . A 99 ASP N . 19530 1 951 . 1 1 100 100 GLN H H 1 7.695 0.008 . . . . . A 100 GLN H . 19530 1 952 . 1 1 100 100 GLN HA H 1 4.294 0.007 . . . . . A 100 GLN HA . 19530 1 953 . 1 1 100 100 GLN HB2 H 1 1.85 0.013 . . . . . A 100 GLN HB2 . 19530 1 954 . 1 1 100 100 GLN HB3 H 1 1.85 0.013 . . . . . A 100 GLN HB3 . 19530 1 955 . 1 1 100 100 GLN HG2 H 1 2.193 0.005 . . . . . A 100 GLN HG2 . 19530 1 956 . 1 1 100 100 GLN HG3 H 1 2.193 0.005 . . . . . A 100 GLN HG3 . 19530 1 957 . 1 1 100 100 GLN HE21 H 1 7.471 0.006 . . . . . A 100 GLN HE21 . 19530 1 958 . 1 1 100 100 GLN HE22 H 1 6.812 0.014 . . . . . A 100 GLN HE22 . 19530 1 959 . 1 1 100 100 GLN CA C 13 52.028 0.029 . . . . . A 100 GLN CA . 19530 1 960 . 1 1 100 100 GLN CB C 13 27.014 0.014 . . . . . A 100 GLN CB . 19530 1 961 . 1 1 100 100 GLN CG C 13 30.888 0.016 . . . . . A 100 GLN CG . 19530 1 962 . 1 1 100 100 GLN N N 15 117.709 0.014 . . . . . A 100 GLN N . 19530 1 963 . 1 1 100 100 GLN NE2 N 15 112.826 0.121 . . . . . A 100 GLN NE2 . 19530 1 964 . 1 1 101 101 ALA H H 1 8.427 0.003 . . . . . A 101 ALA H . 19530 1 965 . 1 1 101 101 ALA HA H 1 4.709 0.007 . . . . . A 101 ALA HA . 19530 1 966 . 1 1 101 101 ALA HB1 H 1 1.149 0.002 . . . . . A 101 ALA HB1 . 19530 1 967 . 1 1 101 101 ALA HB2 H 1 1.149 0.002 . . . . . A 101 ALA HB2 . 19530 1 968 . 1 1 101 101 ALA HB3 H 1 1.149 0.002 . . . . . A 101 ALA HB3 . 19530 1 969 . 1 1 101 101 ALA CA C 13 48.73 0.105 . . . . . A 101 ALA CA . 19530 1 970 . 1 1 101 101 ALA CB C 13 17.061 0.018 . . . . . A 101 ALA CB . 19530 1 971 . 1 1 101 101 ALA N N 15 126.865 0.039 . . . . . A 101 ALA N . 19530 1 972 . 1 1 102 102 ILE H H 1 8.886 0.006 . . . . . A 102 ILE H . 19530 1 973 . 1 1 102 102 ILE HA H 1 4.054 0.006 . . . . . A 102 ILE HA . 19530 1 974 . 1 1 102 102 ILE HB H 1 1.587 0.004 . . . . . A 102 ILE HB . 19530 1 975 . 1 1 102 102 ILE HG12 H 1 1.291 0.005 . . . . . A 102 ILE HG12 . 19530 1 976 . 1 1 102 102 ILE HG13 H 1 0.963 0.004 . . . . . A 102 ILE HG13 . 19530 1 977 . 1 1 102 102 ILE HG21 H 1 0.41 0.003 . . . . . A 102 ILE HG21 . 19530 1 978 . 1 1 102 102 ILE HG22 H 1 0.41 0.003 . . . . . A 102 ILE HG22 . 19530 1 979 . 1 1 102 102 ILE HG23 H 1 0.41 0.003 . . . . . A 102 ILE HG23 . 19530 1 980 . 1 1 102 102 ILE HD11 H 1 0.708 0.008 . . . . . A 102 ILE HD11 . 19530 1 981 . 1 1 102 102 ILE HD12 H 1 0.708 0.008 . . . . . A 102 ILE HD12 . 19530 1 982 . 1 1 102 102 ILE HD13 H 1 0.708 0.008 . . . . . A 102 ILE HD13 . 19530 1 983 . 1 1 102 102 ILE CA C 13 57.2 0.038 . . . . . A 102 ILE CA . 19530 1 984 . 1 1 102 102 ILE CB C 13 37.764 0.082 . . . . . A 102 ILE CB . 19530 1 985 . 1 1 102 102 ILE CG1 C 13 24.616 0.141 . . . . . A 102 ILE CG1 . 19530 1 986 . 1 1 102 102 ILE CG2 C 13 14.502 0.025 . . . . . A 102 ILE CG2 . 19530 1 987 . 1 1 102 102 ILE CD1 C 13 10 0.018 . . . . . A 102 ILE CD1 . 19530 1 988 . 1 1 102 102 ILE N N 15 125.35 0.018 . . . . . A 102 ILE N . 19530 1 989 . 1 1 103 103 ALA H H 1 8.147 0.008 . . . . . A 103 ALA H . 19530 1 990 . 1 1 103 103 ALA HA H 1 4.895 0.011 . . . . . A 103 ALA HA . 19530 1 991 . 1 1 103 103 ALA HB1 H 1 1.092 0.006 . . . . . A 103 ALA HB1 . 19530 1 992 . 1 1 103 103 ALA HB2 H 1 1.092 0.006 . . . . . A 103 ALA HB2 . 19530 1 993 . 1 1 103 103 ALA HB3 H 1 1.092 0.006 . . . . . A 103 ALA HB3 . 19530 1 994 . 1 1 103 103 ALA CA C 13 47.862 0.004 . . . . . A 103 ALA CA . 19530 1 995 . 1 1 103 103 ALA CB C 13 16.707 0.019 . . . . . A 103 ALA CB . 19530 1 996 . 1 1 103 103 ALA N N 15 128.447 0.027 . . . . . A 103 ALA N . 19530 1 997 . 1 1 104 104 TYR H H 1 8.665 0.008 . . . . . A 104 TYR H . 19530 1 998 . 1 1 104 104 TYR HA H 1 4.82 0.005 . . . . . A 104 TYR HA . 19530 1 999 . 1 1 104 104 TYR HB2 H 1 2.766 0.01 . . . . . A 104 TYR HB2 . 19530 1 1000 . 1 1 104 104 TYR HB3 H 1 2.766 0.01 . . . . . A 104 TYR HB3 . 19530 1 1001 . 1 1 104 104 TYR HD1 H 1 6.81 0.005 . . . . . A 104 TYR HD1 . 19530 1 1002 . 1 1 104 104 TYR HD2 H 1 6.81 0.005 . . . . . A 104 TYR HD2 . 19530 1 1003 . 1 1 104 104 TYR HE1 H 1 6.467 0.006 . . . . . A 104 TYR HE1 . 19530 1 1004 . 1 1 104 104 TYR HE2 H 1 6.467 0.006 . . . . . A 104 TYR HE2 . 19530 1 1005 . 1 1 104 104 TYR CA C 13 54.278 0.039 . . . . . A 104 TYR CA . 19530 1 1006 . 1 1 104 104 TYR CB C 13 37.966 0.017 . . . . . A 104 TYR CB . 19530 1 1007 . 1 1 104 104 TYR CD2 C 13 130.371 0.032 . . . . . A 104 TYR CD2 . 19530 1 1008 . 1 1 104 104 TYR CE2 C 13 115.418 0.055 . . . . . A 104 TYR CE2 . 19530 1 1009 . 1 1 104 104 TYR N N 15 123.527 0.041 . . . . . A 104 TYR N . 19530 1 1010 . 1 1 105 105 VAL H H 1 8.724 0.008 . . . . . A 105 VAL H . 19530 1 1011 . 1 1 105 105 VAL HA H 1 4.712 0.005 . . . . . A 105 VAL HA . 19530 1 1012 . 1 1 105 105 VAL HB H 1 1.9 0.009 . . . . . A 105 VAL HB . 19530 1 1013 . 1 1 105 105 VAL HG11 H 1 0.977 0.012 . . . . . A 105 VAL HG11 . 19530 1 1014 . 1 1 105 105 VAL HG12 H 1 0.977 0.012 . . . . . A 105 VAL HG12 . 19530 1 1015 . 1 1 105 105 VAL HG13 H 1 0.977 0.012 . . . . . A 105 VAL HG13 . 19530 1 1016 . 1 1 105 105 VAL HG21 H 1 0.928 0.017 . . . . . A 105 VAL HG21 . 19530 1 1017 . 1 1 105 105 VAL HG22 H 1 0.928 0.017 . . . . . A 105 VAL HG22 . 19530 1 1018 . 1 1 105 105 VAL HG23 H 1 0.928 0.017 . . . . . A 105 VAL HG23 . 19530 1 1019 . 1 1 105 105 VAL CA C 13 59.624 0.048 . . . . . A 105 VAL CA . 19530 1 1020 . 1 1 105 105 VAL CB C 13 30.256 0.045 . . . . . A 105 VAL CB . 19530 1 1021 . 1 1 105 105 VAL CG1 C 13 20.931 0.015 . . . . . A 105 VAL CG1 . 19530 1 1022 . 1 1 105 105 VAL CG2 C 13 19.579 0.008 . . . . . A 105 VAL CG2 . 19530 1 1023 . 1 1 105 105 VAL N N 15 120.148 0.045 . . . . . A 105 VAL N . 19530 1 1024 . 1 1 106 106 MET H H 1 8.772 0.006 . . . . . A 106 MET H . 19530 1 1025 . 1 1 106 106 MET HA H 1 4.712 0.003 . . . . . A 106 MET HA . 19530 1 1026 . 1 1 106 106 MET HB2 H 1 1.9 0.02 . . . . . A 106 MET HB2 . 19530 1 1027 . 1 1 106 106 MET HB3 H 1 2.142 0.003 . . . . . A 106 MET HB3 . 19530 1 1028 . 1 1 106 106 MET HG2 H 1 2.275 0.003 . . . . . A 106 MET HG2 . 19530 1 1029 . 1 1 106 106 MET HG3 H 1 2.146 0.001 . . . . . A 106 MET HG3 . 19530 1 1030 . 1 1 106 106 MET CA C 13 50.615 0.058 . . . . . A 106 MET CA . 19530 1 1031 . 1 1 106 106 MET CB C 13 33.207 0.117 . . . . . A 106 MET CB . 19530 1 1032 . 1 1 106 106 MET CG C 13 28.216 0.047 . . . . . A 106 MET CG . 19530 1 1033 . 1 1 106 106 MET N N 15 124.389 0.018 . . . . . A 106 MET N . 19530 1 1034 . 1 1 107 107 LEU H H 1 8.45 0.012 . . . . . A 107 LEU H . 19530 1 1035 . 1 1 107 107 LEU HA H 1 4.214 0.011 . . . . . A 107 LEU HA . 19530 1 1036 . 1 1 107 107 LEU HB2 H 1 1.723 0.002 . . . . . A 107 LEU HB2 . 19530 1 1037 . 1 1 107 107 LEU HB3 H 1 1.723 0.002 . . . . . A 107 LEU HB3 . 19530 1 1038 . 1 1 107 107 LEU HG H 1 1.445 0.003 . . . . . A 107 LEU HG . 19530 1 1039 . 1 1 107 107 LEU HD11 H 1 0.838 0.009 . . . . . A 107 LEU HD11 . 19530 1 1040 . 1 1 107 107 LEU HD12 H 1 0.838 0.009 . . . . . A 107 LEU HD12 . 19530 1 1041 . 1 1 107 107 LEU HD13 H 1 0.838 0.009 . . . . . A 107 LEU HD13 . 19530 1 1042 . 1 1 107 107 LEU HD21 H 1 0.838 0.009 . . . . . A 107 LEU HD21 . 19530 1 1043 . 1 1 107 107 LEU HD22 H 1 0.838 0.009 . . . . . A 107 LEU HD22 . 19530 1 1044 . 1 1 107 107 LEU HD23 H 1 0.838 0.009 . . . . . A 107 LEU HD23 . 19530 1 1045 . 1 1 107 107 LEU CA C 13 53.895 0.086 . . . . . A 107 LEU CA . 19530 1 1046 . 1 1 107 107 LEU N N 15 118.467 0.021 . . . . . A 107 LEU N . 19530 1 1047 . 1 1 108 108 GLY H H 1 7.806 0.004 . . . . . A 108 GLY H . 19530 1 1048 . 1 1 108 108 GLY HA2 H 1 4.416 0.008 . . . . . A 108 GLY HA2 . 19530 1 1049 . 1 1 108 108 GLY HA3 H 1 3.186 0.006 . . . . . A 108 GLY HA3 . 19530 1 1050 . 1 1 108 108 GLY CA C 13 40.08 0.026 . . . . . A 108 GLY CA . 19530 1 1051 . 1 1 108 108 GLY N N 15 107.651 0.018 . . . . . A 108 GLY N . 19530 1 1052 . 1 1 109 109 ASN H H 1 8.779 0.004 . . . . . A 109 ASN H . 19530 1 1053 . 1 1 109 109 ASN HA H 1 4.397 0.002 . . . . . A 109 ASN HA . 19530 1 1054 . 1 1 109 109 ASN HB2 H 1 2.725 0.01 . . . . . A 109 ASN HB2 . 19530 1 1055 . 1 1 109 109 ASN HB3 H 1 2.914 0.008 . . . . . A 109 ASN HB3 . 19530 1 1056 . 1 1 109 109 ASN HD21 H 1 7.534 0.004 . . . . . A 109 ASN HD21 . 19530 1 1057 . 1 1 109 109 ASN HD22 H 1 6.749 0.005 . . . . . A 109 ASN HD22 . 19530 1 1058 . 1 1 109 109 ASN CA C 13 53.149 0.061 . . . . . A 109 ASN CA . 19530 1 1059 . 1 1 109 109 ASN CB C 13 35.888 0.102 . . . . . A 109 ASN CB . 19530 1 1060 . 1 1 109 109 ASN N N 15 117.885 0.023 . . . . . A 109 ASN N . 19530 1 1061 . 1 1 109 109 ASN ND2 N 15 111.233 0.041 . . . . . A 109 ASN ND2 . 19530 1 1062 . 1 1 110 110 LYS H H 1 8.557 0.005 . . . . . A 110 LYS H . 19530 1 1063 . 1 1 110 110 LYS HA H 1 4.527 0.012 . . . . . A 110 LYS HA . 19530 1 1064 . 1 1 110 110 LYS HB2 H 1 1.292 0.009 . . . . . A 110 LYS HB2 . 19530 1 1065 . 1 1 110 110 LYS HB3 H 1 1.737 0.015 . . . . . A 110 LYS HB3 . 19530 1 1066 . 1 1 110 110 LYS HG2 H 1 1.298 0.004 . . . . . A 110 LYS HG2 . 19530 1 1067 . 1 1 110 110 LYS HG3 H 1 1.447 0.001 . . . . . A 110 LYS HG3 . 19530 1 1068 . 1 1 110 110 LYS HE2 H 1 2.878 0.012 . . . . . A 110 LYS HE2 . 19530 1 1069 . 1 1 110 110 LYS HE3 H 1 2.878 0.012 . . . . . A 110 LYS HE3 . 19530 1 1070 . 1 1 110 110 LYS CA C 13 52.907 0.098 . . . . . A 110 LYS CA . 19530 1 1071 . 1 1 110 110 LYS CB C 13 30.184 0.108 . . . . . A 110 LYS CB . 19530 1 1072 . 1 1 110 110 LYS CG C 13 22.59 0.033 . . . . . A 110 LYS CG . 19530 1 1073 . 1 1 110 110 LYS N N 15 116.286 0.017 . . . . . A 110 LYS N . 19530 1 1074 . 1 1 111 111 ALA H H 1 7.702 0.006 . . . . . A 111 ALA H . 19530 1 1075 . 1 1 111 111 ALA HA H 1 3.792 0.005 . . . . . A 111 ALA HA . 19530 1 1076 . 1 1 111 111 ALA HB1 H 1 1.733 0.008 . . . . . A 111 ALA HB1 . 19530 1 1077 . 1 1 111 111 ALA HB2 H 1 1.733 0.008 . . . . . A 111 ALA HB2 . 19530 1 1078 . 1 1 111 111 ALA HB3 H 1 1.733 0.008 . . . . . A 111 ALA HB3 . 19530 1 1079 . 1 1 111 111 ALA CA C 13 54.316 0.069 . . . . . A 111 ALA CA . 19530 1 1080 . 1 1 111 111 ALA CB C 13 16.582 0.025 . . . . . A 111 ALA CB . 19530 1 1081 . 1 1 111 111 ALA N N 15 123.607 0.007 . . . . . A 111 ALA N . 19530 1 1082 . 1 1 112 112 GLN H H 1 8.605 0.006 . . . . . A 112 GLN H . 19530 1 1083 . 1 1 112 112 GLN HA H 1 3.801 0.011 . . . . . A 112 GLN HA . 19530 1 1084 . 1 1 112 112 GLN HB2 H 1 2.027 0.003 . . . . . A 112 GLN HB2 . 19530 1 1085 . 1 1 112 112 GLN HG2 H 1 2.344 0.005 . . . . . A 112 GLN HG2 . 19530 1 1086 . 1 1 112 112 GLN HG3 H 1 2.344 0.005 . . . . . A 112 GLN HG3 . 19530 1 1087 . 1 1 112 112 GLN HE21 H 1 7.415 0.012 . . . . . A 112 GLN HE21 . 19530 1 1088 . 1 1 112 112 GLN HE22 H 1 6.826 0.007 . . . . . A 112 GLN HE22 . 19530 1 1089 . 1 1 112 112 GLN CA C 13 55.714 0.157 . . . . . A 112 GLN CA . 19530 1 1090 . 1 1 112 112 GLN CB C 13 24.843 0.018 . . . . . A 112 GLN CB . 19530 1 1091 . 1 1 112 112 GLN CG C 13 30.793 0.023 . . . . . A 112 GLN CG . 19530 1 1092 . 1 1 112 112 GLN N N 15 115.007 0.044 . . . . . A 112 GLN N . 19530 1 1093 . 1 1 112 112 GLN NE2 N 15 110.386 0.039 . . . . . A 112 GLN NE2 . 19530 1 1094 . 1 1 113 113 THR H H 1 7.442 0.01 . . . . . A 113 THR H . 19530 1 1095 . 1 1 113 113 THR HA H 1 4.041 0.021 . . . . . A 113 THR HA . 19530 1 1096 . 1 1 113 113 THR HB H 1 4.099 0.008 . . . . . A 113 THR HB . 19530 1 1097 . 1 1 113 113 THR HG21 H 1 1.202 0.007 . . . . . A 113 THR HG21 . 19530 1 1098 . 1 1 113 113 THR HG22 H 1 1.202 0.007 . . . . . A 113 THR HG22 . 19530 1 1099 . 1 1 113 113 THR HG23 H 1 1.202 0.007 . . . . . A 113 THR HG23 . 19530 1 1100 . 1 1 113 113 THR CA C 13 62.754 0.051 . . . . . A 113 THR CA . 19530 1 1101 . 1 1 113 113 THR CB C 13 65.564 0.064 . . . . . A 113 THR CB . 19530 1 1102 . 1 1 113 113 THR CG2 C 13 20.689 0.064 . . . . . A 113 THR CG2 . 19530 1 1103 . 1 1 113 113 THR N N 15 114.357 0.035 . . . . . A 113 THR N . 19530 1 1104 . 1 1 114 114 VAL H H 1 7.352 0.009 . . . . . A 114 VAL H . 19530 1 1105 . 1 1 114 114 VAL HA H 1 3.885 0.009 . . . . . A 114 VAL HA . 19530 1 1106 . 1 1 114 114 VAL HB H 1 2.158 0.003 . . . . . A 114 VAL HB . 19530 1 1107 . 1 1 114 114 VAL HG11 H 1 0.929 0.002 . . . . . A 114 VAL HG11 . 19530 1 1108 . 1 1 114 114 VAL HG12 H 1 0.929 0.002 . . . . . A 114 VAL HG12 . 19530 1 1109 . 1 1 114 114 VAL HG13 H 1 0.929 0.002 . . . . . A 114 VAL HG13 . 19530 1 1110 . 1 1 114 114 VAL HG21 H 1 0.884 0.011 . . . . . A 114 VAL HG21 . 19530 1 1111 . 1 1 114 114 VAL HG22 H 1 0.884 0.011 . . . . . A 114 VAL HG22 . 19530 1 1112 . 1 1 114 114 VAL HG23 H 1 0.884 0.011 . . . . . A 114 VAL HG23 . 19530 1 1113 . 1 1 114 114 VAL CA C 13 62.521 0.026 . . . . . A 114 VAL CA . 19530 1 1114 . 1 1 114 114 VAL CB C 13 29.215 0.068 . . . . . A 114 VAL CB . 19530 1 1115 . 1 1 114 114 VAL CG1 C 13 20.464 0.067 . . . . . A 114 VAL CG1 . 19530 1 1116 . 1 1 114 114 VAL N N 15 119.643 0.04 . . . . . A 114 VAL N . 19530 1 1117 . 1 1 115 115 LEU H H 1 7.827 0.008 . . . . . A 115 LEU H . 19530 1 1118 . 1 1 115 115 LEU HA H 1 3.857 0.014 . . . . . A 115 LEU HA . 19530 1 1119 . 1 1 115 115 LEU HB2 H 1 1.438 0.004 . . . . . A 115 LEU HB2 . 19530 1 1120 . 1 1 115 115 LEU HB3 H 1 1.824 0.01 . . . . . A 115 LEU HB3 . 19530 1 1121 . 1 1 115 115 LEU HG H 1 1.7 0.014 . . . . . A 115 LEU HG . 19530 1 1122 . 1 1 115 115 LEU HD11 H 1 0.778 0.018 . . . . . A 115 LEU HD11 . 19530 1 1123 . 1 1 115 115 LEU HD12 H 1 0.778 0.018 . . . . . A 115 LEU HD12 . 19530 1 1124 . 1 1 115 115 LEU HD13 H 1 0.778 0.018 . . . . . A 115 LEU HD13 . 19530 1 1125 . 1 1 115 115 LEU HD21 H 1 0.778 0.018 . . . . . A 115 LEU HD21 . 19530 1 1126 . 1 1 115 115 LEU HD22 H 1 0.778 0.018 . . . . . A 115 LEU HD22 . 19530 1 1127 . 1 1 115 115 LEU HD23 H 1 0.778 0.018 . . . . . A 115 LEU HD23 . 19530 1 1128 . 1 1 115 115 LEU CA C 13 55.427 0.017 . . . . . A 115 LEU CA . 19530 1 1129 . 1 1 115 115 LEU CB C 13 38.598 0.044 . . . . . A 115 LEU CB . 19530 1 1130 . 1 1 115 115 LEU CD1 C 13 22.248 0.010 . . . . . A 115 LEU CD1 . 19530 1 1131 . 1 1 115 115 LEU N N 15 120.042 0.005 . . . . . A 115 LEU N . 19530 1 1132 . 1 1 116 116 ASN H H 1 8.212 0.004 . . . . . A 116 ASN H . 19530 1 1133 . 1 1 116 116 ASN HA H 1 4.62 0.003 . . . . . A 116 ASN HA . 19530 1 1134 . 1 1 116 116 ASN HB2 H 1 2.854 0.017 . . . . . A 116 ASN HB2 . 19530 1 1135 . 1 1 116 116 ASN HB3 H 1 2.854 0.017 . . . . . A 116 ASN HB3 . 19530 1 1136 . 1 1 116 116 ASN CA C 13 50.488 0.046 . . . . . A 116 ASN CA . 19530 1 1137 . 1 1 116 116 ASN CB C 13 35.936 0.072 . . . . . A 116 ASN CB . 19530 1 1138 . 1 1 116 116 ASN N N 15 115.112 0.011 . . . . . A 116 ASN N . 19530 1 1139 . 1 1 117 117 GLY H H 1 7.434 0.006 . . . . . A 117 GLY H . 19530 1 1140 . 1 1 117 117 GLY HA2 H 1 4.08 0.007 . . . . . A 117 GLY HA2 . 19530 1 1141 . 1 1 117 117 GLY HA3 H 1 3.891 0.007 . . . . . A 117 GLY HA3 . 19530 1 1142 . 1 1 117 117 GLY CA C 13 43.081 0.027 . . . . . A 117 GLY CA . 19530 1 1143 . 1 1 117 117 GLY N N 15 105.700 0.018 . . . . . A 117 GLY N . 19530 1 1144 . 1 1 118 118 ASN H H 1 7.87 0.003 . . . . . A 118 ASN H . 19530 1 1145 . 1 1 118 118 ASN HA H 1 4.821 0.009 . . . . . A 118 ASN HA . 19530 1 1146 . 1 1 118 118 ASN HB2 H 1 2.919 0.009 . . . . . A 118 ASN HB2 . 19530 1 1147 . 1 1 118 118 ASN HB3 H 1 2.571 0.006 . . . . . A 118 ASN HB3 . 19530 1 1148 . 1 1 118 118 ASN CA C 13 50.61 0.033 . . . . . A 118 ASN CA . 19530 1 1149 . 1 1 118 118 ASN CB C 13 37.206 0.136 . . . . . A 118 ASN CB . 19530 1 1150 . 1 1 118 118 ASN N N 15 115.864 0.03 . . . . . A 118 ASN N . 19530 1 1151 . 1 1 119 119 LEU H H 1 7.398 0.008 . . . . . A 119 LEU H . 19530 1 1152 . 1 1 119 119 LEU HA H 1 4.432 0.008 . . . . . A 119 LEU HA . 19530 1 1153 . 1 1 119 119 LEU HB2 H 1 1.142 0.002 . . . . . A 119 LEU HB2 . 19530 1 1154 . 1 1 119 119 LEU HB3 H 1 1.292 0.017 . . . . . A 119 LEU HB3 . 19530 1 1155 . 1 1 119 119 LEU HG H 1 1.275 0.005 . . . . . A 119 LEU HG . 19530 1 1156 . 1 1 119 119 LEU HD11 H 1 0.683 0.006 . . . . . A 119 LEU HD11 . 19530 1 1157 . 1 1 119 119 LEU HD12 H 1 0.683 0.006 . . . . . A 119 LEU HD12 . 19530 1 1158 . 1 1 119 119 LEU HD13 H 1 0.683 0.006 . . . . . A 119 LEU HD13 . 19530 1 1159 . 1 1 119 119 LEU HD21 H 1 0.878 0.007 . . . . . A 119 LEU HD21 . 19530 1 1160 . 1 1 119 119 LEU HD22 H 1 0.878 0.007 . . . . . A 119 LEU HD22 . 19530 1 1161 . 1 1 119 119 LEU HD23 H 1 0.878 0.007 . . . . . A 119 LEU HD23 . 19530 1 1162 . 1 1 119 119 LEU CA C 13 52.651 0.008 . . . . . A 119 LEU CA . 19530 1 1163 . 1 1 119 119 LEU CB C 13 42.244 0.038 . . . . . A 119 LEU CB . 19530 1 1164 . 1 1 119 119 LEU CD1 C 13 23.131 0.061 . . . . . A 119 LEU CD1 . 19530 1 1165 . 1 1 119 119 LEU CD2 C 13 20.936 0.015 . . . . . A 119 LEU CD2 . 19530 1 1166 . 1 1 119 119 LEU N N 15 121.603 0.028 . . . . . A 119 LEU N . 19530 1 1167 . 1 1 120 120 LYS H H 1 8.388 0.002 . . . . . A 120 LYS H . 19530 1 1168 . 1 1 120 120 LYS HA H 1 4.601 0.003 . . . . . A 120 LYS HA . 19530 1 1169 . 1 1 120 120 LYS HB2 H 1 1.546 0.006 . . . . . A 120 LYS HB2 . 19530 1 1170 . 1 1 120 120 LYS HB3 H 1 1.684 0.005 . . . . . A 120 LYS HB3 . 19530 1 1171 . 1 1 120 120 LYS HG2 H 1 1.556 0.015 . . . . . A 120 LYS HG2 . 19530 1 1172 . 1 1 120 120 LYS HG3 H 1 1.556 0.015 . . . . . A 120 LYS HG3 . 19530 1 1173 . 1 1 120 120 LYS CA C 13 52.181 0.029 . . . . . A 120 LYS CA . 19530 1 1174 . 1 1 120 120 LYS CB C 13 30.496 0.010 . . . . . A 120 LYS CB . 19530 1 1175 . 1 1 120 120 LYS N N 15 128.172 0.033 . . . . . A 120 LYS N . 19530 1 1176 . 1 1 121 121 VAL H H 1 8.594 0.007 . . . . . A 121 VAL H . 19530 1 1177 . 1 1 121 121 VAL HA H 1 4.015 0.004 . . . . . A 121 VAL HA . 19530 1 1178 . 1 1 121 121 VAL HB H 1 1.506 0.007 . . . . . A 121 VAL HB . 19530 1 1179 . 1 1 121 121 VAL HG11 H 1 0.624 0.008 . . . . . A 121 VAL HG11 . 19530 1 1180 . 1 1 121 121 VAL HG12 H 1 0.624 0.008 . . . . . A 121 VAL HG12 . 19530 1 1181 . 1 1 121 121 VAL HG13 H 1 0.624 0.008 . . . . . A 121 VAL HG13 . 19530 1 1182 . 1 1 121 121 VAL HG21 H 1 0.667 0.011 . . . . . A 121 VAL HG21 . 19530 1 1183 . 1 1 121 121 VAL HG22 H 1 0.667 0.011 . . . . . A 121 VAL HG22 . 19530 1 1184 . 1 1 121 121 VAL HG23 H 1 0.667 0.011 . . . . . A 121 VAL HG23 . 19530 1 1185 . 1 1 121 121 VAL CA C 13 59.145 0.121 . . . . . A 121 VAL CA . 19530 1 1186 . 1 1 121 121 VAL CB C 13 30.885 0.023 . . . . . A 121 VAL CB . 19530 1 1187 . 1 1 121 121 VAL CG1 C 13 18.383 0.043 . . . . . A 121 VAL CG1 . 19530 1 1188 . 1 1 121 121 VAL CG2 C 13 18.029 0.127 . . . . . A 121 VAL CG2 . 19530 1 1189 . 1 1 121 121 VAL N N 15 123.904 0.027 . . . . . A 121 VAL N . 19530 1 1190 . 1 1 122 122 ASP H H 1 8.207 0.003 . . . . . A 122 ASP H . 19530 1 1191 . 1 1 122 122 ASP HA H 1 5.348 0.009 . . . . . A 122 ASP HA . 19530 1 1192 . 1 1 122 122 ASP HB2 H 1 2.362 0.004 . . . . . A 122 ASP HB2 . 19530 1 1193 . 1 1 122 122 ASP HB3 H 1 2.362 0.004 . . . . . A 122 ASP HB3 . 19530 1 1194 . 1 1 122 122 ASP CA C 13 49.978 0.03 . . . . . A 122 ASP CA . 19530 1 1195 . 1 1 122 122 ASP CB C 13 40.719 0.008 . . . . . A 122 ASP CB . 19530 1 1196 . 1 1 122 122 ASP N N 15 126.273 0.037 . . . . . A 122 ASP N . 19530 1 1197 . 1 1 123 123 PHE H H 1 8.916 0.005 . . . . . A 123 PHE H . 19530 1 1198 . 1 1 123 123 PHE HA H 1 4.807 0.008 . . . . . A 123 PHE HA . 19530 1 1199 . 1 1 123 123 PHE HB2 H 1 2.878 0.007 . . . . . A 123 PHE HB2 . 19530 1 1200 . 1 1 123 123 PHE HB3 H 1 2.65 0.008 . . . . . A 123 PHE HB3 . 19530 1 1201 . 1 1 123 123 PHE HD1 H 1 7.026 0.017 . . . . . A 123 PHE HD1 . 19530 1 1202 . 1 1 123 123 PHE HD2 H 1 7.026 0.017 . . . . . A 123 PHE HD2 . 19530 1 1203 . 1 1 123 123 PHE CA C 13 54.084 0.118 . . . . . A 123 PHE CA . 19530 1 1204 . 1 1 123 123 PHE CB C 13 41.758 0.083 . . . . . A 123 PHE CB . 19530 1 1205 . 1 1 123 123 PHE CD1 C 13 128.451 0.211 . . . . . A 123 PHE CD1 . 19530 1 1206 . 1 1 123 123 PHE N N 15 120.199 0.014 . . . . . A 123 PHE N . 19530 1 1207 . 1 1 124 124 MET H H 1 8.04 0.013 . . . . . A 124 MET H . 19530 1 1208 . 1 1 124 124 MET HA H 1 4.473 0.006 . . . . . A 124 MET HA . 19530 1 1209 . 1 1 124 124 MET HB2 H 1 1.64 0.021 . . . . . A 124 MET HB2 . 19530 1 1210 . 1 1 124 124 MET HB3 H 1 1.64 0.021 . . . . . A 124 MET HB3 . 19530 1 1211 . 1 1 124 124 MET HG2 H 1 2.158 0.005 . . . . . A 124 MET HG2 . 19530 1 1212 . 1 1 124 124 MET HG3 H 1 2.158 0.005 . . . . . A 124 MET HG3 . 19530 1 1213 . 1 1 124 124 MET CA C 13 51.325 0.103 . . . . . A 124 MET CA . 19530 1 1214 . 1 1 124 124 MET CG C 13 28.695 0.008 . . . . . A 124 MET CG . 19530 1 1215 . 1 1 124 124 MET N N 15 128.106 0.068 . . . . . A 124 MET N . 19530 1 1216 . 1 1 125 125 GLU H H 1 8.451 0.003 . . . . . A 125 GLU H . 19530 1 1217 . 1 1 125 125 GLU HA H 1 3.587 0.005 . . . . . A 125 GLU HA . 19530 1 1218 . 1 1 125 125 GLU HB2 H 1 1.824 0.018 . . . . . A 125 GLU HB2 . 19530 1 1219 . 1 1 125 125 GLU HB3 H 1 1.824 0.018 . . . . . A 125 GLU HB3 . 19530 1 1220 . 1 1 125 125 GLU HG2 H 1 2.137 0.006 . . . . . A 125 GLU HG2 . 19530 1 1221 . 1 1 125 125 GLU HG3 H 1 2.018 0.054 . . . . . A 125 GLU HG3 . 19530 1 1222 . 1 1 125 125 GLU CA C 13 54.42 0.015 . . . . . A 125 GLU CA . 19530 1 1223 . 1 1 125 125 GLU CG C 13 35.197 0.04 . . . . . A 125 GLU CG . 19530 1 1224 . 1 1 125 125 GLU N N 15 126.392 0.004 . . . . . A 125 GLU N . 19530 1 1225 . 1 1 126 126 THR H H 1 8.388 0.007 . . . . . A 126 THR H . 19530 1 1226 . 1 1 126 126 THR HA H 1 4.386 0.005 . . . . . A 126 THR HA . 19530 1 1227 . 1 1 126 126 THR HB H 1 4.138 0.007 . . . . . A 126 THR HB . 19530 1 1228 . 1 1 126 126 THR HG21 H 1 0.951 0.002 . . . . . A 126 THR HG21 . 19530 1 1229 . 1 1 126 126 THR HG22 H 1 0.951 0.002 . . . . . A 126 THR HG22 . 19530 1 1230 . 1 1 126 126 THR HG23 H 1 0.951 0.002 . . . . . A 126 THR HG23 . 19530 1 1231 . 1 1 126 126 THR CA C 13 57.785 0.028 . . . . . A 126 THR CA . 19530 1 1232 . 1 1 126 126 THR CB C 13 68.157 0.012 . . . . . A 126 THR CB . 19530 1 1233 . 1 1 126 126 THR CG2 C 13 19.121 0.131 . . . . . A 126 THR CG2 . 19530 1 1234 . 1 1 126 126 THR N N 15 113.322 0.009 . . . . . A 126 THR N . 19530 1 1235 . 1 1 127 127 GLU H H 1 8.398 0.005 . . . . . A 127 GLU H . 19530 1 1236 . 1 1 127 127 GLU HA H 1 4.193 0.005 . . . . . A 127 GLU HA . 19530 1 1237 . 1 1 127 127 GLU HB2 H 1 1.72 0.005 . . . . . A 127 GLU HB2 . 19530 1 1238 . 1 1 127 127 GLU HB3 H 1 1.72 0.005 . . . . . A 127 GLU HB3 . 19530 1 1239 . 1 1 127 127 GLU CA C 13 53.809 0.010 . . . . . A 127 GLU CA . 19530 1 1240 . 1 1 127 127 GLU N N 15 121.388 0.035 . . . . . A 127 GLU N . 19530 1 stop_ save_