data_15306 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15306 _Entry.Title ; Solution Structure of the C2 domain of human Smurf2 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2007-06-15 _Entry.Accession_date 2007-06-15 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.100 _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 Silke Wiesner . . . 15306 2 Abiodun Ogunjimi . A. . 15306 3 Hong-Rui Wang . . . 15306 4 Daniela Rotin . . . 15306 5 Frank Sicheri . . . 15306 6 Jeff Wrana . L. . 15306 7 Julie Forman-Kay . D. . 15306 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID . 'not applicable' 'not applicable' . 15306 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'C2 domain' . 15306 'Phospholipid binding' . 15306 Smurf2 . 15306 'Ubiquitin protein ligase' . 15306 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15306 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 433 15306 '15N chemical shifts' 138 15306 '1H chemical shifts' 864 15306 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2010-05-26 2007-06-15 update BMRB 'update entity name' 15306 1 . . 2008-02-28 2007-06-15 original author 'original release' 15306 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1zvd 'Smurf2 HECT domain' 15306 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 15306 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 17719543 _Citation.Full_citation . _Citation.Title 'Auto-inhibition of the HECT-type ubiquitin ligase Smurf2 through its C2 domain' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Cell _Citation.Journal_name_full . _Citation.Journal_volume 130 _Citation.Journal_issue 4 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 651 _Citation.Page_last 662 _Citation.Year 2007 _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 Silke Wiesner . . . 15306 1 2 Abiodun Ogunjimi . A. . 15306 1 3 Hong-Rui Wang . . . 15306 1 4 Daniela Rotin . . . 15306 1 5 Frank Sicheri . . . 15306 1 6 Jeff Wrana . L. . 15306 1 7 Julie Forman-Kay . D. . 15306 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15306 _Assembly.ID 1 _Assembly.Name 'C2 domain of Smurf2' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _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 'C2 domain of Smurf2' 1 $entity A . yes native no no . . . 15306 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'Inhibition of HECT domain activity' 15306 1 'Phospholipid binding' 15306 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 15306 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'C2 domain of Smurf2' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GPVKLRLTVLCAKNLVKKDF FRLPDPFAKVVVDGSGQCHS TDTVKNTLDPKWNQHYDLYI GKSDSVTISVWNHKKIHKKQ GAGFLGCVRLLSNAINRLKD TGYQRLDLCKLGPNDNDTVR GQIVVSLQSRD ; _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 131 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number 6.3.2.- _Entity.Calc_isoelectric_point . _Entity.Formula_weight 14707.108 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2JQZ . "Solution Structure Of The C2 Domain Of Human Smurf2" . . . . . 100.00 131 100.00 100.00 3.77e-89 . . . . 15306 1 2 no DBJ BAG11417 . "E3 ubiquitin-protein ligase SMURF2 [synthetic construct]" . . . . . 100.00 748 100.00 100.00 2.94e-83 . . . . 15306 1 3 no EMBL CDQ73842 . "unnamed protein product [Oncorhynchus mykiss]" . . . . . 83.21 200 97.25 99.08 9.14e-70 . . . . 15306 1 4 no GB AAG25641 . "ubiquitin E3 ligase SMURF2 [Homo sapiens]" . . . . . 100.00 748 100.00 100.00 2.94e-83 . . . . 15306 1 5 no GB AAG45422 . "E3 ubiquitin ligase SMURF2 [Homo sapiens]" . . . . . 100.00 748 100.00 100.00 3.16e-83 . . . . 15306 1 6 no GB AAG50421 . "E3 ubiquitin ligase Smurf2 [Homo sapiens]" . . . . . 100.00 748 100.00 100.00 2.94e-83 . . . . 15306 1 7 no GB AAG50422 . "E3 ubiquitin ligase Smurf2 [Xenopus laevis]" . . . . . 100.76 376 96.97 97.73 1.48e-82 . . . . 15306 1 8 no GB AAH93876 . "SMAD specific E3 ubiquitin protein ligase 2 [Homo sapiens]" . . . . . 100.00 748 100.00 100.00 2.94e-83 . . . . 15306 1 9 no REF NP_001082282 . "E3 ubiquitin-protein ligase SMURF2 [Xenopus laevis]" . . . . . 100.00 751 98.47 99.24 4.88e-82 . . . . 15306 1 10 no REF NP_001100531 . "E3 ubiquitin-protein ligase SMURF2 [Rattus norvegicus]" . . . . . 100.00 748 100.00 100.00 2.79e-83 . . . . 15306 1 11 no REF NP_073576 . "E3 ubiquitin-protein ligase SMURF2 [Homo sapiens]" . . . . . 100.00 748 100.00 100.00 2.94e-83 . . . . 15306 1 12 no REF NP_079757 . "E3 ubiquitin-protein ligase SMURF2 [Mus musculus]" . . . . . 100.00 748 100.00 100.00 2.94e-83 . . . . 15306 1 13 no REF XP_002186702 . "PREDICTED: E3 ubiquitin-protein ligase SMURF2-like, partial [Taeniopygia guttata]" . . . . . 55.73 292 98.63 100.00 4.34e-41 . . . . 15306 1 14 no SP A2A5Z6 . "RecName: Full=E3 ubiquitin-protein ligase SMURF2; AltName: Full=SMAD ubiquitination regulatory factor 2; AltName: Full=SMAD-spe" . . . . . 100.00 748 100.00 100.00 2.94e-83 . . . . 15306 1 15 no SP Q2TAS2 . "RecName: Full=E3 ubiquitin-protein ligase SMURF2; AltName: Full=SMAD ubiquitination regulatory factor 2; AltName: Full=SMAD-spe" . . . . . 100.00 751 98.47 99.24 4.88e-82 . . . . 15306 1 16 no SP Q9HAU4 . "RecName: Full=E3 ubiquitin-protein ligase SMURF2; Short=hSMURF2; AltName: Full=SMAD ubiquitination regulatory factor 2; AltName" . . . . . 100.00 748 100.00 100.00 2.94e-83 . . . . 15306 1 17 no TPG DAA18293 . "TPA: SMAD specific E3 ubiquitin protein ligase 2 [Bos taurus]" . . . . . 98.47 757 98.45 98.45 2.16e-78 . . . . 15306 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 10 GLY . 15306 1 2 11 PRO . 15306 1 3 12 VAL . 15306 1 4 13 LYS . 15306 1 5 14 LEU . 15306 1 6 15 ARG . 15306 1 7 16 LEU . 15306 1 8 17 THR . 15306 1 9 18 VAL . 15306 1 10 19 LEU . 15306 1 11 20 CYS . 15306 1 12 21 ALA . 15306 1 13 22 LYS . 15306 1 14 23 ASN . 15306 1 15 24 LEU . 15306 1 16 25 VAL . 15306 1 17 26 LYS . 15306 1 18 27 LYS . 15306 1 19 28 ASP . 15306 1 20 29 PHE . 15306 1 21 30 PHE . 15306 1 22 31 ARG . 15306 1 23 32 LEU . 15306 1 24 33 PRO . 15306 1 25 34 ASP . 15306 1 26 35 PRO . 15306 1 27 36 PHE . 15306 1 28 37 ALA . 15306 1 29 38 LYS . 15306 1 30 39 VAL . 15306 1 31 40 VAL . 15306 1 32 41 VAL . 15306 1 33 42 ASP . 15306 1 34 43 GLY . 15306 1 35 44 SER . 15306 1 36 45 GLY . 15306 1 37 46 GLN . 15306 1 38 47 CYS . 15306 1 39 48 HIS . 15306 1 40 49 SER . 15306 1 41 50 THR . 15306 1 42 51 ASP . 15306 1 43 52 THR . 15306 1 44 53 VAL . 15306 1 45 54 LYS . 15306 1 46 55 ASN . 15306 1 47 56 THR . 15306 1 48 57 LEU . 15306 1 49 58 ASP . 15306 1 50 59 PRO . 15306 1 51 60 LYS . 15306 1 52 61 TRP . 15306 1 53 62 ASN . 15306 1 54 63 GLN . 15306 1 55 64 HIS . 15306 1 56 65 TYR . 15306 1 57 66 ASP . 15306 1 58 67 LEU . 15306 1 59 68 TYR . 15306 1 60 69 ILE . 15306 1 61 70 GLY . 15306 1 62 71 LYS . 15306 1 63 72 SER . 15306 1 64 73 ASP . 15306 1 65 74 SER . 15306 1 66 75 VAL . 15306 1 67 76 THR . 15306 1 68 77 ILE . 15306 1 69 78 SER . 15306 1 70 79 VAL . 15306 1 71 80 TRP . 15306 1 72 81 ASN . 15306 1 73 82 HIS . 15306 1 74 83 LYS . 15306 1 75 84 LYS . 15306 1 76 85 ILE . 15306 1 77 86 HIS . 15306 1 78 87 LYS . 15306 1 79 88 LYS . 15306 1 80 89 GLN . 15306 1 81 90 GLY . 15306 1 82 91 ALA . 15306 1 83 92 GLY . 15306 1 84 93 PHE . 15306 1 85 94 LEU . 15306 1 86 95 GLY . 15306 1 87 96 CYS . 15306 1 88 97 VAL . 15306 1 89 98 ARG . 15306 1 90 99 LEU . 15306 1 91 100 LEU . 15306 1 92 101 SER . 15306 1 93 102 ASN . 15306 1 94 103 ALA . 15306 1 95 104 ILE . 15306 1 96 105 ASN . 15306 1 97 106 ARG . 15306 1 98 107 LEU . 15306 1 99 108 LYS . 15306 1 100 109 ASP . 15306 1 101 110 THR . 15306 1 102 111 GLY . 15306 1 103 112 TYR . 15306 1 104 113 GLN . 15306 1 105 114 ARG . 15306 1 106 115 LEU . 15306 1 107 116 ASP . 15306 1 108 117 LEU . 15306 1 109 118 CYS . 15306 1 110 119 LYS . 15306 1 111 120 LEU . 15306 1 112 121 GLY . 15306 1 113 122 PRO . 15306 1 114 123 ASN . 15306 1 115 124 ASP . 15306 1 116 125 ASN . 15306 1 117 126 ASP . 15306 1 118 127 THR . 15306 1 119 128 VAL . 15306 1 120 129 ARG . 15306 1 121 130 GLY . 15306 1 122 131 GLN . 15306 1 123 132 ILE . 15306 1 124 133 VAL . 15306 1 125 134 VAL . 15306 1 126 135 SER . 15306 1 127 136 LEU . 15306 1 128 137 GLN . 15306 1 129 138 SER . 15306 1 130 139 ARG . 15306 1 131 140 ASP . 15306 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 15306 1 . PRO 2 2 15306 1 . VAL 3 3 15306 1 . LYS 4 4 15306 1 . LEU 5 5 15306 1 . ARG 6 6 15306 1 . LEU 7 7 15306 1 . THR 8 8 15306 1 . VAL 9 9 15306 1 . LEU 10 10 15306 1 . CYS 11 11 15306 1 . ALA 12 12 15306 1 . LYS 13 13 15306 1 . ASN 14 14 15306 1 . LEU 15 15 15306 1 . VAL 16 16 15306 1 . LYS 17 17 15306 1 . LYS 18 18 15306 1 . ASP 19 19 15306 1 . PHE 20 20 15306 1 . PHE 21 21 15306 1 . ARG 22 22 15306 1 . LEU 23 23 15306 1 . PRO 24 24 15306 1 . ASP 25 25 15306 1 . PRO 26 26 15306 1 . PHE 27 27 15306 1 . ALA 28 28 15306 1 . LYS 29 29 15306 1 . VAL 30 30 15306 1 . VAL 31 31 15306 1 . VAL 32 32 15306 1 . ASP 33 33 15306 1 . GLY 34 34 15306 1 . SER 35 35 15306 1 . GLY 36 36 15306 1 . GLN 37 37 15306 1 . CYS 38 38 15306 1 . HIS 39 39 15306 1 . SER 40 40 15306 1 . THR 41 41 15306 1 . ASP 42 42 15306 1 . THR 43 43 15306 1 . VAL 44 44 15306 1 . LYS 45 45 15306 1 . ASN 46 46 15306 1 . THR 47 47 15306 1 . LEU 48 48 15306 1 . ASP 49 49 15306 1 . PRO 50 50 15306 1 . LYS 51 51 15306 1 . TRP 52 52 15306 1 . ASN 53 53 15306 1 . GLN 54 54 15306 1 . HIS 55 55 15306 1 . TYR 56 56 15306 1 . ASP 57 57 15306 1 . LEU 58 58 15306 1 . TYR 59 59 15306 1 . ILE 60 60 15306 1 . GLY 61 61 15306 1 . LYS 62 62 15306 1 . SER 63 63 15306 1 . ASP 64 64 15306 1 . SER 65 65 15306 1 . VAL 66 66 15306 1 . THR 67 67 15306 1 . ILE 68 68 15306 1 . SER 69 69 15306 1 . VAL 70 70 15306 1 . TRP 71 71 15306 1 . ASN 72 72 15306 1 . HIS 73 73 15306 1 . LYS 74 74 15306 1 . LYS 75 75 15306 1 . ILE 76 76 15306 1 . HIS 77 77 15306 1 . LYS 78 78 15306 1 . LYS 79 79 15306 1 . GLN 80 80 15306 1 . GLY 81 81 15306 1 . ALA 82 82 15306 1 . GLY 83 83 15306 1 . PHE 84 84 15306 1 . LEU 85 85 15306 1 . GLY 86 86 15306 1 . CYS 87 87 15306 1 . VAL 88 88 15306 1 . ARG 89 89 15306 1 . LEU 90 90 15306 1 . LEU 91 91 15306 1 . SER 92 92 15306 1 . ASN 93 93 15306 1 . ALA 94 94 15306 1 . ILE 95 95 15306 1 . ASN 96 96 15306 1 . ARG 97 97 15306 1 . LEU 98 98 15306 1 . LYS 99 99 15306 1 . ASP 100 100 15306 1 . THR 101 101 15306 1 . GLY 102 102 15306 1 . TYR 103 103 15306 1 . GLN 104 104 15306 1 . ARG 105 105 15306 1 . LEU 106 106 15306 1 . ASP 107 107 15306 1 . LEU 108 108 15306 1 . CYS 109 109 15306 1 . LYS 110 110 15306 1 . LEU 111 111 15306 1 . GLY 112 112 15306 1 . PRO 113 113 15306 1 . ASN 114 114 15306 1 . ASP 115 115 15306 1 . ASN 116 116 15306 1 . ASP 117 117 15306 1 . THR 118 118 15306 1 . VAL 119 119 15306 1 . ARG 120 120 15306 1 . GLY 121 121 15306 1 . GLN 122 122 15306 1 . ILE 123 123 15306 1 . VAL 124 124 15306 1 . VAL 125 125 15306 1 . SER 126 126 15306 1 . LEU 127 127 15306 1 . GLN 128 128 15306 1 . SER 129 129 15306 1 . ARG 130 130 15306 1 . ASP 131 131 15306 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 15306 _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 $entity . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 15306 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 15306 _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 $entity . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) CodonPlus . . . . . . . . . . . . . . 'modified pET24d' . . . ; pET24d was modified to include an N-terminal NusA tag followed by a TEV cleavage site (Gunter Stier, EMBL Heidelberg, Germany). ; . . 15306 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 15306 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.8 mM C2 domain' _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 HEPES 'natural abundance' . . 1 $entity . . 20 . . mM . . . . 15306 1 2 'sodium chloride' 'natural abundance' . . . . . . 200 . . mM . . . . 15306 1 3 DTT 'natural abundance' . . . . . . 3 . . mM . . . . 15306 1 4 'sodium azide' 'natural abundance' . . . . . . 0.03 . . % . . . . 15306 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 15306 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; C2 domain 13C, 15N ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% 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 hepes '[U-13C; U-15N]' . . 1 $entity . . 20 . . mM . . . . 15306 2 2 'sodium chloride' 'natural abundance' . . . . . . 200 . . mM . . . . 15306 2 3 DTT 'natural abundance' . . . . . . 3 . . mM . . . . 15306 2 4 'sodium azide' 'natural abundance' . . . . . . 0.03 . . % . . . . 15306 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 15306 _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' 0.2 . M 15306 1 pH 7.2 . pH 15306 1 pressure 1 . atm 15306 1 temperature 298 . K 15306 1 stop_ save_ ############################ # Computer software used # ############################ save_ARIA _Software.Sf_category software _Software.Sf_framecode ARIA _Software.Entry_ID 15306 _Software.ID 1 _Software.Name ARIA _Software.Version 1.2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Linge, O'Donoghue and Nilges' . . 15306 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 15306 1 stop_ save_ save_XEASY _Software.Sf_category software _Software.Sf_framecode XEASY _Software.Entry_ID 15306 _Software.ID 2 _Software.Name XEASY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bartels et al.' . . 15306 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 15306 2 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 15306 _Software.ID 3 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 15306 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 15306 3 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 15306 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 15306 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 15306 _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 Varian INOVA . 500 . . . 15306 1 2 spectrometer_2 Varian INOVA . 800 . . . 15306 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 15306 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15306 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15306 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15306 1 4 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15306 1 5 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15306 1 6 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15306 1 7 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15306 1 8 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15306 1 9 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15306 1 10 '3D 1H-13C NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15306 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 15306 _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 water protons . . . . ppm 4.772925 internal direct 0.251449530 . . . . . . . . . 15306 1 H 1 water protons . . . . ppm 4.772925 internal direct 1 . . . . . . . . . 15306 1 N 15 water protons . . . . ppm 4.772925 internal direct 0.101329118 . . . . . . . . . 15306 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 15306 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.05 _Assigned_chem_shift_list.Chem_shift_13C_err 0.1 _Assigned_chem_shift_list.Chem_shift_15N_err 0.1 _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 9 '3D 1H-15N NOESY' . . . 15306 1 10 '3D 1H-13C NOESY' . . . 15306 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 2 $XEASY . . 15306 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 GLY H H 1 8.234 0.01 . 1 . . . . 10 GLY HN . 15306 1 2 . 1 1 1 1 GLY HA2 H 1 4.238 0.005 . 2 . . . . 10 GLY HA1 . 15306 1 3 . 1 1 1 1 GLY HA3 H 1 4.041 0.01 . 2 . . . . 10 GLY HA2 . 15306 1 4 . 1 1 1 1 GLY CA C 13 45.204 0.1 . 1 . . . . 10 GLY CA . 15306 1 5 . 1 1 1 1 GLY N N 15 110.530 0.1 . 1 . . . . 10 GLY N . 15306 1 6 . 1 1 2 2 PRO HA H 1 4.498 0.005 . 1 . . . . 11 PRO HA . 15306 1 7 . 1 1 2 2 PRO HB2 H 1 2.124 0.008 . 2 . . . . 11 PRO HB2 . 15306 1 8 . 1 1 2 2 PRO HB3 H 1 1.768 0.013 . 2 . . . . 11 PRO HB3 . 15306 1 9 . 1 1 2 2 PRO HD2 H 1 3.662 0.01 . 2 . . . . 11 PRO HD2 . 15306 1 10 . 1 1 2 2 PRO HG2 H 1 2.019 0.009 . 2 . . . . 11 PRO HG2 . 15306 1 11 . 1 1 2 2 PRO CA C 13 63.103 0.1 . 1 . . . . 11 PRO CA . 15306 1 12 . 1 1 2 2 PRO CB C 13 32.993 0.1 . 1 . . . . 11 PRO CB . 15306 1 13 . 1 1 2 2 PRO CD C 13 50.046 0.1 . 1 . . . . 11 PRO CD . 15306 1 14 . 1 1 2 2 PRO CG C 13 27.671 0.1 . 1 . . . . 11 PRO CG . 15306 1 15 . 1 1 3 3 VAL H H 1 8.356 0.01 . 1 . . . . 12 VAL HN . 15306 1 16 . 1 1 3 3 VAL HA H 1 4.370 0.01 . 1 . . . . 12 VAL HA . 15306 1 17 . 1 1 3 3 VAL HB H 1 2.164 0.006 . 1 . . . . 12 VAL HB . 15306 1 18 . 1 1 3 3 VAL HG11 H 1 0.955 0.005 . 2 . . . . 12 VAL QG1 . 15306 1 19 . 1 1 3 3 VAL HG12 H 1 0.955 0.005 . 2 . . . . 12 VAL QG1 . 15306 1 20 . 1 1 3 3 VAL HG13 H 1 0.955 0.005 . 2 . . . . 12 VAL QG1 . 15306 1 21 . 1 1 3 3 VAL HG21 H 1 0.966 0.005 . 2 . . . . 12 VAL QG2 . 15306 1 22 . 1 1 3 3 VAL HG22 H 1 0.966 0.005 . 2 . . . . 12 VAL QG2 . 15306 1 23 . 1 1 3 3 VAL HG23 H 1 0.966 0.005 . 2 . . . . 12 VAL QG2 . 15306 1 24 . 1 1 3 3 VAL CA C 13 60.982 0.1 . 1 . . . . 12 VAL CA . 15306 1 25 . 1 1 3 3 VAL CB C 13 34.005 0.1 . 1 . . . . 12 VAL CB . 15306 1 26 . 1 1 3 3 VAL CG1 C 13 21.695 0.1 . 2 . . . . 12 VAL CG1 . 15306 1 27 . 1 1 3 3 VAL CG2 C 13 21.010 0.1 . 2 . . . . 12 VAL CG2 . 15306 1 28 . 1 1 3 3 VAL N N 15 119.528 0.1 . 1 . . . . 12 VAL N . 15306 1 29 . 1 1 4 4 LYS H H 1 8.542 0.01 . 1 . . . . 13 LYS HN . 15306 1 30 . 1 1 4 4 LYS HA H 1 4.752 0.024 . 1 . . . . 13 LYS HA . 15306 1 31 . 1 1 4 4 LYS HB2 H 1 1.708 0.011 . 2 . . . . 13 LYS HB2 . 15306 1 32 . 1 1 4 4 LYS HB3 H 1 1.559 0.007 . 2 . . . . 13 LYS HB3 . 15306 1 33 . 1 1 4 4 LYS HD2 H 1 1.841 0.005 . 2 . . . . 13 LYS HD2 . 15306 1 34 . 1 1 4 4 LYS HD3 H 1 1.577 0.006 . 2 . . . . 13 LYS HD3 . 15306 1 35 . 1 1 4 4 LYS HE2 H 1 2.850 0.005 . 2 . . . . 13 LYS HE2 . 15306 1 36 . 1 1 4 4 LYS HE3 H 1 2.789 0.005 . 2 . . . . 13 LYS HE3 . 15306 1 37 . 1 1 4 4 LYS HG2 H 1 0.863 0.012 . 2 . . . . 13 LYS HG2 . 15306 1 38 . 1 1 4 4 LYS CA C 13 55.339 0.1 . 1 . . . . 13 LYS CA . 15306 1 39 . 1 1 4 4 LYS CB C 13 33.640 0.1 . 1 . . . . 13 LYS CB . 15306 1 40 . 1 1 4 4 LYS CD C 13 29.909 0.1 . 1 . . . . 13 LYS CD . 15306 1 41 . 1 1 4 4 LYS CE C 13 42.220 0.1 . 1 . . . . 13 LYS CE . 15306 1 42 . 1 1 4 4 LYS CG C 13 25.433 0.1 . 1 . . . . 13 LYS CG . 15306 1 43 . 1 1 4 4 LYS N N 15 125.901 0.1 . 1 . . . . 13 LYS N . 15306 1 44 . 1 1 5 5 LEU H H 1 8.887 0.01 . 1 . . . . 14 LEU HN . 15306 1 45 . 1 1 5 5 LEU HA H 1 4.927 0.01 . 1 . . . . 14 LEU HA . 15306 1 46 . 1 1 5 5 LEU HB2 H 1 1.353 0.01 . 2 . . . . 14 LEU HB2 . 15306 1 47 . 1 1 5 5 LEU HB3 H 1 1.238 0.01 . 2 . . . . 14 LEU HB3 . 15306 1 48 . 1 1 5 5 LEU HD21 H 1 0.770 0.01 . 2 . . . . 14 LEU QD2 . 15306 1 49 . 1 1 5 5 LEU HD22 H 1 0.770 0.01 . 2 . . . . 14 LEU QD2 . 15306 1 50 . 1 1 5 5 LEU HD23 H 1 0.770 0.01 . 2 . . . . 14 LEU QD2 . 15306 1 51 . 1 1 5 5 LEU CA C 13 52.944 0.1 . 1 . . . . 14 LEU CA . 15306 1 52 . 1 1 5 5 LEU CB C 13 47.069 0.1 . 1 . . . . 14 LEU CB . 15306 1 53 . 1 1 5 5 LEU CD2 C 13 25.992 0.1 . 2 . . . . 14 LEU CD2 . 15306 1 54 . 1 1 5 5 LEU N N 15 126.276 0.1 . 1 . . . . 14 LEU N . 15306 1 55 . 1 1 6 6 ARG H H 1 9.361 0.01 . 1 . . . . 15 ARG HN . 15306 1 56 . 1 1 6 6 ARG HA H 1 5.205 0.01 . 1 . . . . 15 ARG HA . 15306 1 57 . 1 1 6 6 ARG HB2 H 1 1.781 0.01 . 2 . . . . 15 ARG HB2 . 15306 1 58 . 1 1 6 6 ARG HB3 H 1 1.683 0.01 . 2 . . . . 15 ARG HB3 . 15306 1 59 . 1 1 6 6 ARG HG2 H 1 1.707 0.01 . 2 . . . . 15 ARG HG2 . 15306 1 60 . 1 1 6 6 ARG HG3 H 1 1.376 0.01 . 2 . . . . 15 ARG HG3 . 15306 1 61 . 1 1 6 6 ARG CA C 13 55.064 0.1 . 1 . . . . 15 ARG CA . 15306 1 62 . 1 1 6 6 ARG CB C 13 31.979 0.1 . 1 . . . . 15 ARG CB . 15306 1 63 . 1 1 6 6 ARG CG C 13 26.788 0.1 . 1 . . . . 15 ARG CG . 15306 1 64 . 1 1 6 6 ARG N N 15 123.745 0.1 . 1 . . . . 15 ARG N . 15306 1 65 . 1 1 7 7 LEU H H 1 9.694 0.016 . 1 . . . . 16 LEU HN . 15306 1 66 . 1 1 7 7 LEU HA H 1 5.437 0.01 . 1 . . . . 16 LEU HA . 15306 1 67 . 1 1 7 7 LEU HB2 H 1 1.969 0.014 . 2 . . . . 16 LEU HB2 . 15306 1 68 . 1 1 7 7 LEU HB3 H 1 1.315 0.01 . 2 . . . . 16 LEU HB3 . 15306 1 69 . 1 1 7 7 LEU HD21 H 1 0.850 0.005 . 2 . . . . 16 LEU QD2 . 15306 1 70 . 1 1 7 7 LEU HD22 H 1 0.850 0.005 . 2 . . . . 16 LEU QD2 . 15306 1 71 . 1 1 7 7 LEU HD23 H 1 0.850 0.005 . 2 . . . . 16 LEU QD2 . 15306 1 72 . 1 1 7 7 LEU HG H 1 1.621 0.01 . 2 . . . . 16 LEU HG . 15306 1 73 . 1 1 7 7 LEU CA C 13 53.777 0.1 . 1 . . . . 16 LEU CA . 15306 1 74 . 1 1 7 7 LEU CB C 13 45.577 0.1 . 1 . . . . 16 LEU CB . 15306 1 75 . 1 1 7 7 LEU CD2 C 13 25.433 0.1 . 2 . . . . 16 LEU CD2 . 15306 1 76 . 1 1 7 7 LEU CG C 13 28.501 0.037 . 1 . . . . 16 LEU CG . 15306 1 77 . 1 1 7 7 LEU N N 15 111.467 0.1 . 1 . . . . 16 LEU N . 15306 1 78 . 1 1 8 8 THR H H 1 9.470 0.019 . 1 . . . . 17 THR HN . 15306 1 79 . 1 1 8 8 THR HA H 1 4.904 0.005 . 1 . . . . 17 THR HA . 15306 1 80 . 1 1 8 8 THR HB H 1 4.350 0.008 . 1 . . . . 17 THR HB . 15306 1 81 . 1 1 8 8 THR HG21 H 1 1.221 0.005 . 2 . . . . 17 THR QG2 . 15306 1 82 . 1 1 8 8 THR HG22 H 1 1.221 0.005 . 2 . . . . 17 THR QG2 . 15306 1 83 . 1 1 8 8 THR HG23 H 1 1.221 0.005 . 2 . . . . 17 THR QG2 . 15306 1 84 . 1 1 8 8 THR CA C 13 62.827 0.1 . 1 . . . . 17 THR CA . 15306 1 85 . 1 1 8 8 THR CB C 13 69.540 0.1 . 1 . . . . 17 THR CB . 15306 1 86 . 1 1 8 8 THR CG2 C 13 21.336 0.1 . 2 . . . . 17 THR CG2 . 15306 1 87 . 1 1 8 8 THR N N 15 124.589 0.1 . 1 . . . . 17 THR N . 15306 1 88 . 1 1 9 9 VAL H H 1 9.339 0.005 . 1 . . . . 18 VAL HN . 15306 1 89 . 1 1 9 9 VAL HA H 1 4.374 0.005 . 1 . . . . 18 VAL HA . 15306 1 90 . 1 1 9 9 VAL HB H 1 2.267 0.005 . 1 . . . . 18 VAL HB . 15306 1 91 . 1 1 9 9 VAL HG11 H 1 0.849 0.006 . 2 . . . . 18 VAL QG1 . 15306 1 92 . 1 1 9 9 VAL HG12 H 1 0.849 0.006 . 2 . . . . 18 VAL QG1 . 15306 1 93 . 1 1 9 9 VAL HG13 H 1 0.849 0.006 . 2 . . . . 18 VAL QG1 . 15306 1 94 . 1 1 9 9 VAL HG21 H 1 0.822 0.014 . 2 . . . . 18 VAL QG2 . 15306 1 95 . 1 1 9 9 VAL HG22 H 1 0.822 0.014 . 2 . . . . 18 VAL QG2 . 15306 1 96 . 1 1 9 9 VAL HG23 H 1 0.822 0.014 . 2 . . . . 18 VAL QG2 . 15306 1 97 . 1 1 9 9 VAL CA C 13 61.708 0.1 . 1 . . . . 18 VAL CA . 15306 1 98 . 1 1 9 9 VAL CB C 13 31.021 0.1 . 1 . . . . 18 VAL CB . 15306 1 99 . 1 1 9 9 VAL CG1 C 13 23.373 0.1 . 2 . . . . 18 VAL CG1 . 15306 1 100 . 1 1 9 9 VAL CG2 C 13 21.523 0.1 . 2 . . . . 18 VAL CG2 . 15306 1 101 . 1 1 9 9 VAL N N 15 127.963 0.1 . 1 . . . . 18 VAL N . 15306 1 102 . 1 1 10 10 LEU H H 1 8.957 0.01 . 1 . . . . 19 LEU HN . 15306 1 103 . 1 1 10 10 LEU HA H 1 4.334 0.010 . 1 . . . . 19 LEU HA . 15306 1 104 . 1 1 10 10 LEU HB2 H 1 1.852 0.01 . 2 . . . . 19 LEU HB2 . 15306 1 105 . 1 1 10 10 LEU HB3 H 1 1.328 0.01 . 2 . . . . 19 LEU HB3 . 15306 1 106 . 1 1 10 10 LEU HD11 H 1 0.753 0.009 . 2 . . . . 19 LEU QD1 . 15306 1 107 . 1 1 10 10 LEU HD12 H 1 0.753 0.009 . 2 . . . . 19 LEU QD1 . 15306 1 108 . 1 1 10 10 LEU HD13 H 1 0.753 0.009 . 2 . . . . 19 LEU QD1 . 15306 1 109 . 1 1 10 10 LEU HD21 H 1 0.271 0.01 . 2 . . . . 19 LEU QD2 . 15306 1 110 . 1 1 10 10 LEU HD22 H 1 0.271 0.01 . 2 . . . . 19 LEU QD2 . 15306 1 111 . 1 1 10 10 LEU HD23 H 1 0.271 0.01 . 2 . . . . 19 LEU QD2 . 15306 1 112 . 1 1 10 10 LEU HG H 1 1.270 0.005 . 1 . . . . 19 LEU HG . 15306 1 113 . 1 1 10 10 LEU CA C 13 59.232 0.1 . 1 . . . . 19 LEU CA . 15306 1 114 . 1 1 10 10 LEU CB C 13 43.525 0.1 . 1 . . . . 19 LEU CB . 15306 1 115 . 1 1 10 10 LEU CD1 C 13 23.528 0.111 . 2 . . . . 19 LEU CD1 . 15306 1 116 . 1 1 10 10 LEU CD2 C 13 25.246 0.1 . 2 . . . . 19 LEU CD2 . 15306 1 117 . 1 1 10 10 LEU CG C 13 27.857 0.1 . 1 . . . . 19 LEU CG . 15306 1 118 . 1 1 10 10 LEU N N 15 127.775 0.1 . 1 . . . . 19 LEU N . 15306 1 119 . 1 1 11 11 CYS H H 1 8.038 0.007 . 1 . . . . 20 CYS HN . 15306 1 120 . 1 1 11 11 CYS HA H 1 5.152 0.005 . 1 . . . . 20 CYS HA . 15306 1 121 . 1 1 11 11 CYS HB2 H 1 3.368 0.011 . 2 . . . . 20 CYS HB2 . 15306 1 122 . 1 1 11 11 CYS HB3 H 1 3.022 0.014 . 2 . . . . 20 CYS HB3 . 15306 1 123 . 1 1 11 11 CYS CA C 13 55.928 0.1 . 1 . . . . 20 CYS CA . 15306 1 124 . 1 1 11 11 CYS CB C 13 30.655 0.1 . 1 . . . . 20 CYS CB . 15306 1 125 . 1 1 11 11 CYS N N 15 109.968 0.1 . 1 . . . . 20 CYS N . 15306 1 126 . 1 1 12 12 ALA H H 1 8.485 0.01 . 1 . . . . 21 ALA HN . 15306 1 127 . 1 1 12 12 ALA HA H 1 5.397 0.01 . 1 . . . . 21 ALA HA . 15306 1 128 . 1 1 12 12 ALA HB1 H 1 1.449 0.005 . 2 . . . . 21 ALA QB . 15306 1 129 . 1 1 12 12 ALA HB2 H 1 1.449 0.005 . 2 . . . . 21 ALA QB . 15306 1 130 . 1 1 12 12 ALA HB3 H 1 1.449 0.005 . 2 . . . . 21 ALA QB . 15306 1 131 . 1 1 12 12 ALA CA C 13 50.707 0.1 . 1 . . . . 21 ALA CA . 15306 1 132 . 1 1 12 12 ALA CB C 13 22.550 0.1 . 1 . . . . 21 ALA CB . 15306 1 133 . 1 1 12 12 ALA N N 15 119.247 0.1 . 1 . . . . 21 ALA N . 15306 1 134 . 1 1 13 13 LYS H H 1 8.905 0.01 . 1 . . . . 22 LYS HN . 15306 1 135 . 1 1 13 13 LYS HA H 1 5.144 0.005 . 1 . . . . 22 LYS HA . 15306 1 136 . 1 1 13 13 LYS HB2 H 1 1.722 0.005 . 2 . . . . 22 LYS HB2 . 15306 1 137 . 1 1 13 13 LYS HB3 H 1 1.518 0.009 . 2 . . . . 22 LYS HB3 . 15306 1 138 . 1 1 13 13 LYS HD2 H 1 1.587 0.005 . 2 . . . . 22 LYS HD2 . 15306 1 139 . 1 1 13 13 LYS HE2 H 1 2.887 0.005 . 2 . . . . 22 LYS HE2 . 15306 1 140 . 1 1 13 13 LYS HG2 H 1 1.249 0.01 . 2 . . . . 22 LYS HG2 . 15306 1 141 . 1 1 13 13 LYS CA C 13 54.063 0.1 . 1 . . . . 22 LYS CA . 15306 1 142 . 1 1 13 13 LYS CB C 13 37.217 0.072 . 1 . . . . 22 LYS CB . 15306 1 143 . 1 1 13 13 LYS CD C 13 29.350 0.1 . 1 . . . . 22 LYS CD . 15306 1 144 . 1 1 13 13 LYS CE C 13 42.406 0.1 . 1 . . . . 22 LYS CE . 15306 1 145 . 1 1 13 13 LYS CG C 13 24.975 0.1 . 1 . . . . 22 LYS CG . 15306 1 146 . 1 1 13 13 LYS N N 15 117.934 0.1 . 1 . . . . 22 LYS N . 15306 1 147 . 1 1 14 14 ASN H H 1 9.099 0.01 . 1 . . . . 23 ASN HN . 15306 1 148 . 1 1 14 14 ASN HA H 1 4.187 0.01 . 1 . . . . 23 ASN HA . 15306 1 149 . 1 1 14 14 ASN HB2 H 1 3.083 0.01 . 2 . . . . 23 ASN HB2 . 15306 1 150 . 1 1 14 14 ASN HB3 H 1 2.666 0.01 . 2 . . . . 23 ASN HB3 . 15306 1 151 . 1 1 14 14 ASN HD21 H 1 7.704 0.01 . 2 . . . . 23 ASN HD21 . 15306 1 152 . 1 1 14 14 ASN HD22 H 1 6.766 0.01 . 2 . . . . 23 ASN HD22 . 15306 1 153 . 1 1 14 14 ASN CA C 13 53.735 0.1 . 1 . . . . 23 ASN CA . 15306 1 154 . 1 1 14 14 ASN CB C 13 37.736 0.1 . 1 . . . . 23 ASN CB . 15306 1 155 . 1 1 14 14 ASN N N 15 118.684 0.1 . 1 . . . . 23 ASN N . 15306 1 156 . 1 1 14 14 ASN ND2 N 15 112.452 0.1 . 1 . . . . 23 ASN ND2 . 15306 1 157 . 1 1 15 15 LEU H H 1 8.294 0.01 . 1 . . . . 24 LEU HN . 15306 1 158 . 1 1 15 15 LEU HA H 1 5.161 0.010 . 1 . . . . 24 LEU HA . 15306 1 159 . 1 1 15 15 LEU HB2 H 1 1.659 0.010 . 2 . . . . 24 LEU HB2 . 15306 1 160 . 1 1 15 15 LEU HB3 H 1 1.325 0.009 . 2 . . . . 24 LEU HB3 . 15306 1 161 . 1 1 15 15 LEU HD11 H 1 0.774 0.008 . 2 . . . . 24 LEU QD1 . 15306 1 162 . 1 1 15 15 LEU HD12 H 1 0.774 0.008 . 2 . . . . 24 LEU QD1 . 15306 1 163 . 1 1 15 15 LEU HD13 H 1 0.774 0.008 . 2 . . . . 24 LEU QD1 . 15306 1 164 . 1 1 15 15 LEU HG H 1 0.675 0.005 . 1 . . . . 24 LEU HG . 15306 1 165 . 1 1 15 15 LEU CA C 13 55.261 0.1 . 1 . . . . 24 LEU CA . 15306 1 166 . 1 1 15 15 LEU CB C 13 42.966 0.1 . 1 . . . . 24 LEU CB . 15306 1 167 . 1 1 15 15 LEU CD1 C 13 23.856 0.1 . 2 . . . . 24 LEU CD1 . 15306 1 168 . 1 1 15 15 LEU CG C 13 27.671 0.1 . 1 . . . . 24 LEU CG . 15306 1 169 . 1 1 15 15 LEU N N 15 114.373 0.1 . 1 . . . . 24 LEU N . 15306 1 170 . 1 1 16 16 VAL H H 1 8.533 0.01 . 1 . . . . 25 VAL HN . 15306 1 171 . 1 1 16 16 VAL HA H 1 3.635 0.007 . 1 . . . . 25 VAL HA . 15306 1 172 . 1 1 16 16 VAL HB H 1 1.881 0.01 . 1 . . . . 25 VAL HB . 15306 1 173 . 1 1 16 16 VAL HG11 H 1 0.972 0.005 . 2 . . . . 25 VAL QG1 . 15306 1 174 . 1 1 16 16 VAL HG12 H 1 0.972 0.005 . 2 . . . . 25 VAL QG1 . 15306 1 175 . 1 1 16 16 VAL HG13 H 1 0.972 0.005 . 2 . . . . 25 VAL QG1 . 15306 1 176 . 1 1 16 16 VAL HG21 H 1 0.834 0.009 . 2 . . . . 25 VAL QG2 . 15306 1 177 . 1 1 16 16 VAL HG22 H 1 0.834 0.009 . 2 . . . . 25 VAL QG2 . 15306 1 178 . 1 1 16 16 VAL HG23 H 1 0.834 0.009 . 2 . . . . 25 VAL QG2 . 15306 1 179 . 1 1 16 16 VAL CA C 13 62.318 0.1 . 1 . . . . 25 VAL CA . 15306 1 180 . 1 1 16 16 VAL CB C 13 33.064 0.1 . 1 . . . . 25 VAL CB . 15306 1 181 . 1 1 16 16 VAL CG1 C 13 20.762 0.1 . 2 . . . . 25 VAL CG1 . 15306 1 182 . 1 1 16 16 VAL CG2 C 13 22.441 0.1 . 2 . . . . 25 VAL CG2 . 15306 1 183 . 1 1 16 16 VAL N N 15 119.200 0.1 . 1 . . . . 25 VAL N . 15306 1 184 . 1 1 17 17 LYS H H 1 7.950 0.01 . 1 . . . . 26 LYS HN . 15306 1 185 . 1 1 17 17 LYS HA H 1 4.302 0.005 . 1 . . . . 26 LYS HA . 15306 1 186 . 1 1 17 17 LYS HB2 H 1 1.966 0.007 . 2 . . . . 26 LYS HB2 . 15306 1 187 . 1 1 17 17 LYS HB3 H 1 1.471 0.007 . 2 . . . . 26 LYS HB3 . 15306 1 188 . 1 1 17 17 LYS HD2 H 1 1.605 0.017 . 2 . . . . 26 LYS HD2 . 15306 1 189 . 1 1 17 17 LYS HE2 H 1 2.852 0.006 . 2 . . . . 26 LYS HE2 . 15306 1 190 . 1 1 17 17 LYS HE3 H 1 2.748 0.006 . 2 . . . . 26 LYS HE3 . 15306 1 191 . 1 1 17 17 LYS HG2 H 1 1.270 0.012 . 2 . . . . 26 LYS HG2 . 15306 1 192 . 1 1 17 17 LYS CA C 13 54.150 0.1 . 1 . . . . 26 LYS CA . 15306 1 193 . 1 1 17 17 LYS CB C 13 33.826 0.1 . 1 . . . . 26 LYS CB . 15306 1 194 . 1 1 17 17 LYS CD C 13 30.655 0.1 . 1 . . . . 26 LYS CD . 15306 1 195 . 1 1 17 17 LYS CE C 13 42.406 0.1 . 1 . . . . 26 LYS CE . 15306 1 196 . 1 1 17 17 LYS CG C 13 26.365 0.1 . 1 . . . . 26 LYS CG . 15306 1 197 . 1 1 17 17 LYS N N 15 128.056 0.1 . 1 . . . . 26 LYS N . 15306 1 198 . 1 1 18 18 LYS H H 1 8.549 0.01 . 1 . . . . 27 LYS HN . 15306 1 199 . 1 1 18 18 LYS HA H 1 4.078 0.008 . 1 . . . . 27 LYS HA . 15306 1 200 . 1 1 18 18 LYS HB2 H 1 1.879 0.01 . 2 . . . . 27 LYS HB2 . 15306 1 201 . 1 1 18 18 LYS HB3 H 1 1.752 0.006 . 2 . . . . 27 LYS HB3 . 15306 1 202 . 1 1 18 18 LYS HD2 H 1 1.819 0.01 . 2 . . . . 27 LYS HD2 . 15306 1 203 . 1 1 18 18 LYS HD3 H 1 1.718 0.01 . 2 . . . . 27 LYS HD3 . 15306 1 204 . 1 1 18 18 LYS HE2 H 1 3.041 0.008 . 2 . . . . 27 LYS HE2 . 15306 1 205 . 1 1 18 18 LYS HG2 H 1 1.474 0.011 . 2 . . . . 27 LYS HG2 . 15306 1 206 . 1 1 18 18 LYS HG3 H 1 1.442 0.165 . 2 . . . . 27 LYS HG3 . 15306 1 207 . 1 1 18 18 LYS CA C 13 58.626 0.1 . 1 . . . . 27 LYS CA . 15306 1 208 . 1 1 18 18 LYS CB C 13 33.826 0.1 . 1 . . . . 27 LYS CB . 15306 1 209 . 1 1 18 18 LYS CD C 13 29.723 0.1 . 1 . . . . 27 LYS CD . 15306 1 210 . 1 1 18 18 LYS CG C 13 26.925 0.1 . 1 . . . . 27 LYS CG . 15306 1 211 . 1 1 18 18 LYS N N 15 125.760 0.1 . 1 . . . . 27 LYS N . 15306 1 212 . 1 1 19 19 ASP H H 1 8.438 0.01 . 1 . . . . 28 ASP HN . 15306 1 213 . 1 1 19 19 ASP HA H 1 4.801 0.007 . 1 . . . . 28 ASP HA . 15306 1 214 . 1 1 19 19 ASP HB2 H 1 2.820 0.012 . 2 . . . . 28 ASP HB2 . 15306 1 215 . 1 1 19 19 ASP HB3 H 1 2.571 0.006 . 2 . . . . 28 ASP HB3 . 15306 1 216 . 1 1 19 19 ASP CA C 13 52.964 0.1 . 1 . . . . 28 ASP CA . 15306 1 217 . 1 1 19 19 ASP CB C 13 43.518 0.1 . 1 . . . . 28 ASP CB . 15306 1 218 . 1 1 19 19 ASP N N 15 119.247 0.1 . 1 . . . . 28 ASP N . 15306 1 219 . 1 1 20 20 PHE H H 1 8.506 0.01 . 1 . . . . 29 PHE HN . 15306 1 220 . 1 1 20 20 PHE HA H 1 4.049 0.007 . 1 . . . . 29 PHE HA . 15306 1 221 . 1 1 20 20 PHE HB2 H 1 2.896 0.01 . 2 . . . . 29 PHE HB2 . 15306 1 222 . 1 1 20 20 PHE HB3 H 1 2.566 0.01 . 2 . . . . 29 PHE HB3 . 15306 1 223 . 1 1 20 20 PHE HD1 H 1 6.825 0.01 . 3 . . . . 29 PHE QD . 15306 1 224 . 1 1 20 20 PHE HD2 H 1 6.825 0.01 . 3 . . . . 29 PHE QD . 15306 1 225 . 1 1 20 20 PHE HE1 H 1 7.312 0.005 . 3 . . . . 29 PHE QE . 15306 1 226 . 1 1 20 20 PHE HE2 H 1 7.312 0.005 . 3 . . . . 29 PHE QE . 15306 1 227 . 1 1 20 20 PHE CA C 13 60.767 0.028 . 1 . . . . 29 PHE CA . 15306 1 228 . 1 1 20 20 PHE CB C 13 39.305 0.1 . 1 . . . . 29 PHE CB . 15306 1 229 . 1 1 20 20 PHE CD1 C 13 130.415 0.1 . 3 . . . . 29 PHE CD1 . 15306 1 230 . 1 1 20 20 PHE CE1 C 13 130.415 0.1 . 3 . . . . 29 PHE CE1 . 15306 1 231 . 1 1 20 20 PHE N N 15 122.011 0.1 . 1 . . . . 29 PHE N . 15306 1 232 . 1 1 21 21 PHE H H 1 8.350 0.01 . 1 . . . . 30 PHE HN . 15306 1 233 . 1 1 21 21 PHE HA H 1 4.677 0.01 . 1 . . . . 30 PHE HA . 15306 1 234 . 1 1 21 21 PHE HB2 H 1 3.278 0.01 . 2 . . . . 30 PHE HB2 . 15306 1 235 . 1 1 21 21 PHE HB3 H 1 2.999 0.011 . 2 . . . . 30 PHE HB3 . 15306 1 236 . 1 1 21 21 PHE HD1 H 1 7.363 0.008 . 3 . . . . 30 PHE QD . 15306 1 237 . 1 1 21 21 PHE HD2 H 1 7.363 0.008 . 3 . . . . 30 PHE QD . 15306 1 238 . 1 1 21 21 PHE HE1 H 1 7.464 0.005 . 3 . . . . 30 PHE QE . 15306 1 239 . 1 1 21 21 PHE HE2 H 1 7.464 0.005 . 3 . . . . 30 PHE QE . 15306 1 240 . 1 1 21 21 PHE CA C 13 57.789 0.1 . 1 . . . . 30 PHE CA . 15306 1 241 . 1 1 21 21 PHE CB C 13 40.824 0.1 . 1 . . . . 30 PHE CB . 15306 1 242 . 1 1 21 21 PHE CD1 C 13 130.788 0.1 . 3 . . . . 30 PHE CD1 . 15306 1 243 . 1 1 21 21 PHE CE1 C 13 130.788 0.1 . 3 . . . . 30 PHE CE1 . 15306 1 244 . 1 1 21 21 PHE N N 15 113.764 0.1 . 1 . . . . 30 PHE N . 15306 1 245 . 1 1 22 22 ARG H H 1 7.631 0.01 . 1 . . . . 31 ARG HN . 15306 1 246 . 1 1 22 22 ARG HA H 1 4.614 0.01 . 1 . . . . 31 ARG HA . 15306 1 247 . 1 1 22 22 ARG HB2 H 1 1.804 0.005 . 2 . . . . 31 ARG HB2 . 15306 1 248 . 1 1 22 22 ARG HB3 H 1 1.658 0.008 . 2 . . . . 31 ARG HB3 . 15306 1 249 . 1 1 22 22 ARG HD2 H 1 3.250 0.008 . 2 . . . . 31 ARG HD2 . 15306 1 250 . 1 1 22 22 ARG HG2 H 1 1.606 0.005 . 2 . . . . 31 ARG HG2 . 15306 1 251 . 1 1 22 22 ARG HG3 H 1 1.569 0.005 . 2 . . . . 31 ARG HG3 . 15306 1 252 . 1 1 22 22 ARG CA C 13 55.325 0.1 . 1 . . . . 31 ARG CA . 15306 1 253 . 1 1 22 22 ARG CB C 13 33.640 0.1 . 1 . . . . 31 ARG CB . 15306 1 254 . 1 1 22 22 ARG CD C 13 43.810 0.1 . 1 . . . . 31 ARG CD . 15306 1 255 . 1 1 22 22 ARG CG C 13 27.484 0.1 . 1 . . . . 31 ARG CG . 15306 1 256 . 1 1 22 22 ARG N N 15 118.778 0.1 . 1 . . . . 31 ARG N . 15306 1 257 . 1 1 23 23 LEU H H 1 8.699 0.01 . 1 . . . . 32 LEU HN . 15306 1 258 . 1 1 23 23 LEU HA H 1 4.509 0.008 . 1 . . . . 32 LEU HA . 15306 1 259 . 1 1 23 23 LEU HB2 H 1 1.740 0.005 . 2 . . . . 32 LEU HB2 . 15306 1 260 . 1 1 23 23 LEU HB3 H 1 1.244 0.009 . 2 . . . . 32 LEU HB3 . 15306 1 261 . 1 1 23 23 LEU HD11 H 1 0.868 0.010 . 2 . . . . 32 LEU QD1 . 15306 1 262 . 1 1 23 23 LEU HD12 H 1 0.868 0.010 . 2 . . . . 32 LEU QD1 . 15306 1 263 . 1 1 23 23 LEU HD13 H 1 0.868 0.010 . 2 . . . . 32 LEU QD1 . 15306 1 264 . 1 1 23 23 LEU HD21 H 1 0.597 0.009 . 2 . . . . 32 LEU QD2 . 15306 1 265 . 1 1 23 23 LEU HD22 H 1 0.597 0.009 . 2 . . . . 32 LEU QD2 . 15306 1 266 . 1 1 23 23 LEU HD23 H 1 0.597 0.009 . 2 . . . . 32 LEU QD2 . 15306 1 267 . 1 1 23 23 LEU HG H 1 1.635 0.01 . 1 . . . . 32 LEU HG . 15306 1 268 . 1 1 23 23 LEU CA C 13 52.758 0.1 . 1 . . . . 32 LEU CA . 15306 1 269 . 1 1 23 23 LEU CB C 13 42.593 0.1 . 1 . . . . 32 LEU CB . 15306 1 270 . 1 1 23 23 LEU CD1 C 13 24.127 0.1 . 2 . . . . 32 LEU CD1 . 15306 1 271 . 1 1 23 23 LEU CD2 C 13 22.447 0.178 . 2 . . . . 32 LEU CD2 . 15306 1 272 . 1 1 23 23 LEU CG C 13 27.772 0.1 . 1 . . . . 32 LEU CG . 15306 1 273 . 1 1 23 23 LEU N N 15 123.464 0.1 . 1 . . . . 32 LEU N . 15306 1 274 . 1 1 24 24 PRO HA H 1 4.648 0.011 . 1 . . . . 33 PRO HA . 15306 1 275 . 1 1 24 24 PRO HB2 H 1 2.384 0.005 . 2 . . . . 33 PRO HB2 . 15306 1 276 . 1 1 24 24 PRO HB3 H 1 1.559 0.005 . 2 . . . . 33 PRO HB3 . 15306 1 277 . 1 1 24 24 PRO HD2 H 1 3.625 0.008 . 2 . . . . 33 PRO HD2 . 15306 1 278 . 1 1 24 24 PRO HD3 H 1 3.438 0.008 . 2 . . . . 33 PRO HD3 . 15306 1 279 . 1 1 24 24 PRO HG2 H 1 2.391 0.01 . 2 . . . . 33 PRO HG2 . 15306 1 280 . 1 1 24 24 PRO HG3 H 1 1.939 0.01 . 2 . . . . 33 PRO HG3 . 15306 1 281 . 1 1 24 24 PRO CA C 13 62.753 0.1 . 1 . . . . 33 PRO CA . 15306 1 282 . 1 1 24 24 PRO CB C 13 33.965 0.044 . 1 . . . . 33 PRO CB . 15306 1 283 . 1 1 24 24 PRO CD C 13 50.233 0.1 . 1 . . . . 33 PRO CD . 15306 1 284 . 1 1 24 24 PRO CG C 13 25.992 0.1 . 1 . . . . 33 PRO CG . 15306 1 285 . 1 1 25 25 ASP H H 1 7.463 0.01 . 1 . . . . 34 ASP HN . 15306 1 286 . 1 1 25 25 ASP HA H 1 6.052 0.005 . 1 . . . . 34 ASP HA . 15306 1 287 . 1 1 25 25 ASP HB2 H 1 2.998 0.01 . 2 . . . . 34 ASP HB2 . 15306 1 288 . 1 1 25 25 ASP HB3 H 1 2.705 0.011 . 2 . . . . 34 ASP HB3 . 15306 1 289 . 1 1 25 25 ASP CA C 13 51.080 0.1 . 1 . . . . 34 ASP CA . 15306 1 290 . 1 1 25 25 ASP CB C 13 42.779 0.1 . 1 . . . . 34 ASP CB . 15306 1 291 . 1 1 25 25 ASP N N 15 117.091 0.1 . 1 . . . . 34 ASP N . 15306 1 292 . 1 1 26 26 PRO HA H 1 5.968 0.005 . 1 . . . . 35 PRO HA . 15306 1 293 . 1 1 26 26 PRO HB2 H 1 2.046 0.005 . 2 . . . . 35 PRO HB2 . 15306 1 294 . 1 1 26 26 PRO HB3 H 1 1.896 0.008 . 2 . . . . 35 PRO HB3 . 15306 1 295 . 1 1 26 26 PRO HD2 H 1 4.226 0.005 . 2 . . . . 35 PRO HD2 . 15306 1 296 . 1 1 26 26 PRO HD3 H 1 3.860 0.013 . 2 . . . . 35 PRO HD3 . 15306 1 297 . 1 1 26 26 PRO HG2 H 1 1.843 0.006 . 2 . . . . 35 PRO HG2 . 15306 1 298 . 1 1 26 26 PRO HG3 H 1 1.479 0.005 . 2 . . . . 35 PRO HG3 . 15306 1 299 . 1 1 26 26 PRO CA C 13 62.827 0.1 . 1 . . . . 35 PRO CA . 15306 1 300 . 1 1 26 26 PRO CB C 13 35.132 0.1 . 1 . . . . 35 PRO CB . 15306 1 301 . 1 1 26 26 PRO CD C 13 52.572 0.1 . 1 . . . . 35 PRO CD . 15306 1 302 . 1 1 26 26 PRO CG C 13 29.723 0.1 . 1 . . . . 35 PRO CG . 15306 1 303 . 1 1 27 27 PHE H H 1 9.284 0.01 . 1 . . . . 36 PHE HN . 15306 1 304 . 1 1 27 27 PHE HA H 1 5.009 0.007 . 1 . . . . 36 PHE HA . 15306 1 305 . 1 1 27 27 PHE HB2 H 1 3.205 0.005 . 2 . . . . 36 PHE HB2 . 15306 1 306 . 1 1 27 27 PHE HB3 H 1 2.968 0.005 . 2 . . . . 36 PHE HB3 . 15306 1 307 . 1 1 27 27 PHE HD1 H 1 7.321 0.005 . 3 . . . . 36 PHE QD . 15306 1 308 . 1 1 27 27 PHE HD2 H 1 7.321 0.005 . 3 . . . . 36 PHE QD . 15306 1 309 . 1 1 27 27 PHE HE1 H 1 6.982 0.013 . 3 . . . . 36 PHE QE . 15306 1 310 . 1 1 27 27 PHE HE2 H 1 6.982 0.013 . 3 . . . . 36 PHE QE . 15306 1 311 . 1 1 27 27 PHE HZ H 1 6.826 0.005 . 1 . . . . 36 PHE HZ . 15306 1 312 . 1 1 27 27 PHE CA C 13 56.301 0.1 . 1 . . . . 36 PHE CA . 15306 1 313 . 1 1 27 27 PHE CB C 13 42.689 0.1 . 1 . . . . 36 PHE CB . 15306 1 314 . 1 1 27 27 PHE CD1 C 13 131.907 0.1 . 3 . . . . 36 PHE CD1 . 15306 1 315 . 1 1 27 27 PHE CE1 C 13 129.110 0.1 . 3 . . . . 36 PHE CE1 . 15306 1 316 . 1 1 27 27 PHE CZ C 13 132.094 0.1 . 1 . . . . 36 PHE CZ . 15306 1 317 . 1 1 27 27 PHE N N 15 120.090 0.1 . 1 . . . . 36 PHE N . 15306 1 318 . 1 1 28 28 ALA H H 1 8.408 0.01 . 1 . . . . 37 ALA HN . 15306 1 319 . 1 1 28 28 ALA HA H 1 5.481 0.007 . 1 . . . . 37 ALA HA . 15306 1 320 . 1 1 28 28 ALA HB1 H 1 0.411 0.005 . 2 . . . . 37 ALA QB . 15306 1 321 . 1 1 28 28 ALA HB2 H 1 0.411 0.005 . 2 . . . . 37 ALA QB . 15306 1 322 . 1 1 28 28 ALA HB3 H 1 0.411 0.005 . 2 . . . . 37 ALA QB . 15306 1 323 . 1 1 28 28 ALA CA C 13 49.186 0.1 . 1 . . . . 37 ALA CA . 15306 1 324 . 1 1 28 28 ALA CB C 13 20.389 0.1 . 1 . . . . 37 ALA CB . 15306 1 325 . 1 1 28 28 ALA N N 15 122.433 0.1 . 1 . . . . 37 ALA N . 15306 1 326 . 1 1 29 29 LYS H H 1 9.617 0.010 . 1 . . . . 38 LYS HN . 15306 1 327 . 1 1 29 29 LYS HA H 1 5.267 0.009 . 1 . . . . 38 LYS HA . 15306 1 328 . 1 1 29 29 LYS HB2 H 1 1.987 0.005 . 2 . . . . 38 LYS HB2 . 15306 1 329 . 1 1 29 29 LYS HB3 H 1 1.702 0.005 . 2 . . . . 38 LYS HB3 . 15306 1 330 . 1 1 29 29 LYS HD2 H 1 1.575 0.005 . 2 . . . . 38 LYS HD2 . 15306 1 331 . 1 1 29 29 LYS HD3 H 1 1.476 0.005 . 2 . . . . 38 LYS HD3 . 15306 1 332 . 1 1 29 29 LYS HE2 H 1 2.717 0.005 . 2 . . . . 38 LYS HE2 . 15306 1 333 . 1 1 29 29 LYS HE3 H 1 2.538 0.005 . 2 . . . . 38 LYS HE3 . 15306 1 334 . 1 1 29 29 LYS HG2 H 1 1.403 0.011 . 2 . . . . 38 LYS HG2 . 15306 1 335 . 1 1 29 29 LYS CA C 13 54.901 0.1 . 1 . . . . 38 LYS CA . 15306 1 336 . 1 1 29 29 LYS CB C 13 36.624 0.1 . 1 . . . . 38 LYS CB . 15306 1 337 . 1 1 29 29 LYS CD C 13 30.282 0.1 . 1 . . . . 38 LYS CD . 15306 1 338 . 1 1 29 29 LYS CE C 13 42.406 0.1 . 1 . . . . 38 LYS CE . 15306 1 339 . 1 1 29 29 LYS CG C 13 25.992 0.1 . 1 . . . . 38 LYS CG . 15306 1 340 . 1 1 29 29 LYS N N 15 121.964 0.1 . 1 . . . . 38 LYS N . 15306 1 341 . 1 1 30 30 VAL H H 1 9.159 0.008 . 1 . . . . 39 VAL HN . 15306 1 342 . 1 1 30 30 VAL HA H 1 4.494 0.01 . 1 . . . . 39 VAL HA . 15306 1 343 . 1 1 30 30 VAL HB H 1 1.661 0.01 . 1 . . . . 39 VAL HB . 15306 1 344 . 1 1 30 30 VAL HG11 H 1 0.782 0.013 . 2 . . . . 39 VAL QG1 . 15306 1 345 . 1 1 30 30 VAL HG12 H 1 0.782 0.013 . 2 . . . . 39 VAL QG1 . 15306 1 346 . 1 1 30 30 VAL HG13 H 1 0.782 0.013 . 2 . . . . 39 VAL QG1 . 15306 1 347 . 1 1 30 30 VAL HG21 H 1 0.669 0.005 . 2 . . . . 39 VAL QG2 . 15306 1 348 . 1 1 30 30 VAL HG22 H 1 0.669 0.005 . 2 . . . . 39 VAL QG2 . 15306 1 349 . 1 1 30 30 VAL HG23 H 1 0.669 0.005 . 2 . . . . 39 VAL QG2 . 15306 1 350 . 1 1 30 30 VAL CA C 13 61.335 0.1 . 1 . . . . 39 VAL CA . 15306 1 351 . 1 1 30 30 VAL CB C 13 34.954 0.1 . 1 . . . . 39 VAL CB . 15306 1 352 . 1 1 30 30 VAL CG1 C 13 21.508 0.1 . 2 . . . . 39 VAL CG1 . 15306 1 353 . 1 1 30 30 VAL CG2 C 13 21.336 0.1 . 2 . . . . 39 VAL CG2 . 15306 1 354 . 1 1 30 30 VAL N N 15 124.497 0.1 . 1 . . . . 39 VAL N . 15306 1 355 . 1 1 31 31 VAL H H 1 8.659 0.007 . 1 . . . . 40 VAL HN . 15306 1 356 . 1 1 31 31 VAL HA H 1 5.091 0.007 . 1 . . . . 40 VAL HA . 15306 1 357 . 1 1 31 31 VAL HB H 1 2.086 0.005 . 1 . . . . 40 VAL HB . 15306 1 358 . 1 1 31 31 VAL HG11 H 1 1.034 0.01 . 2 . . . . 40 VAL QG1 . 15306 1 359 . 1 1 31 31 VAL HG12 H 1 1.034 0.01 . 2 . . . . 40 VAL QG1 . 15306 1 360 . 1 1 31 31 VAL HG13 H 1 1.034 0.01 . 2 . . . . 40 VAL QG1 . 15306 1 361 . 1 1 31 31 VAL HG21 H 1 0.992 0.011 . 2 . . . . 40 VAL QG2 . 15306 1 362 . 1 1 31 31 VAL HG22 H 1 0.992 0.011 . 2 . . . . 40 VAL QG2 . 15306 1 363 . 1 1 31 31 VAL HG23 H 1 0.992 0.011 . 2 . . . . 40 VAL QG2 . 15306 1 364 . 1 1 31 31 VAL CA C 13 59.898 0.1 . 1 . . . . 40 VAL CA . 15306 1 365 . 1 1 31 31 VAL CB C 13 36.959 0.1 . 1 . . . . 40 VAL CB . 15306 1 366 . 1 1 31 31 VAL CG1 C 13 22.068 0.1 . 2 . . . . 40 VAL CG1 . 15306 1 367 . 1 1 31 31 VAL CG2 C 13 21.896 0.1 . 2 . . . . 40 VAL CG2 . 15306 1 368 . 1 1 31 31 VAL N N 15 124.589 0.1 . 1 . . . . 40 VAL N . 15306 1 369 . 1 1 32 32 VAL H H 1 7.786 0.01 . 1 . . . . 41 VAL HN . 15306 1 370 . 1 1 32 32 VAL HA H 1 4.660 0.009 . 1 . . . . 41 VAL HA . 15306 1 371 . 1 1 32 32 VAL HB H 1 2.326 0.01 . 1 . . . . 41 VAL HB . 15306 1 372 . 1 1 32 32 VAL HG11 H 1 1.097 0.005 . 2 . . . . 41 VAL QG1 . 15306 1 373 . 1 1 32 32 VAL HG12 H 1 1.097 0.005 . 2 . . . . 41 VAL QG1 . 15306 1 374 . 1 1 32 32 VAL HG13 H 1 1.097 0.005 . 2 . . . . 41 VAL QG1 . 15306 1 375 . 1 1 32 32 VAL HG21 H 1 0.954 0.007 . 2 . . . . 41 VAL QG2 . 15306 1 376 . 1 1 32 32 VAL HG22 H 1 0.954 0.007 . 2 . . . . 41 VAL QG2 . 15306 1 377 . 1 1 32 32 VAL HG23 H 1 0.954 0.007 . 2 . . . . 41 VAL QG2 . 15306 1 378 . 1 1 32 32 VAL CA C 13 62.268 0.1 . 1 . . . . 41 VAL CA . 15306 1 379 . 1 1 32 32 VAL CB C 13 30.995 0.1 . 1 . . . . 41 VAL CB . 15306 1 380 . 1 1 32 32 VAL CG1 C 13 21.253 0.1 . 2 . . . . 41 VAL CG1 . 15306 1 381 . 1 1 32 32 VAL CG2 C 13 22.153 0.059 . 2 . . . . 41 VAL CG2 . 15306 1 382 . 1 1 32 32 VAL N N 15 125.385 0.1 . 1 . . . . 41 VAL N . 15306 1 383 . 1 1 33 33 ASP H H 1 8.568 0.01 . 1 . . . . 42 ASP HN . 15306 1 384 . 1 1 33 33 ASP HA H 1 4.310 0.005 . 1 . . . . 42 ASP HA . 15306 1 385 . 1 1 33 33 ASP HB2 H 1 2.611 0.006 . 2 . . . . 42 ASP HB2 . 15306 1 386 . 1 1 33 33 ASP CA C 13 57.321 0.1 . 1 . . . . 42 ASP CA . 15306 1 387 . 1 1 33 33 ASP CB C 13 40.727 0.1 . 1 . . . . 42 ASP CB . 15306 1 388 . 1 1 33 33 ASP N N 15 130.868 0.1 . 1 . . . . 42 ASP N . 15306 1 389 . 1 1 34 34 GLY HA2 H 1 4.230 0.01 . 2 . . . . 43 GLY HA1 . 15306 1 390 . 1 1 34 34 GLY HA3 H 1 3.818 0.01 . 2 . . . . 43 GLY HA2 . 15306 1 391 . 1 1 34 34 GLY CA C 13 46.510 0.1 . 1 . . . . 43 GLY CA . 15306 1 392 . 1 1 35 35 SER H H 1 8.049 0.01 . 1 . . . . 44 SER HN . 15306 1 393 . 1 1 35 35 SER HA H 1 4.928 0.006 . 1 . . . . 44 SER HA . 15306 1 394 . 1 1 35 35 SER HB2 H 1 4.285 0.005 . 2 . . . . 44 SER HB2 . 15306 1 395 . 1 1 35 35 SER HB3 H 1 3.954 0.005 . 2 . . . . 44 SER HB3 . 15306 1 396 . 1 1 35 35 SER CA C 13 58.067 0.1 . 1 . . . . 44 SER CA . 15306 1 397 . 1 1 35 35 SER CB C 13 67.393 0.1 . 1 . . . . 44 SER CB . 15306 1 398 . 1 1 35 35 SER N N 15 115.029 0.1 . 1 . . . . 44 SER N . 15306 1 399 . 1 1 36 36 GLY H H 1 8.637 0.01 . 1 . . . . 45 GLY HN . 15306 1 400 . 1 1 36 36 GLY HA2 H 1 4.338 0.005 . 2 . . . . 45 GLY HA1 . 15306 1 401 . 1 1 36 36 GLY HA3 H 1 3.884 0.008 . 2 . . . . 45 GLY HA2 . 15306 1 402 . 1 1 36 36 GLY CA C 13 46.137 0.1 . 1 . . . . 45 GLY CA . 15306 1 403 . 1 1 36 36 GLY N N 15 109.265 0.1 . 1 . . . . 45 GLY N . 15306 1 404 . 1 1 37 37 GLN H H 1 8.329 0.01 . 1 . . . . 46 GLN HN . 15306 1 405 . 1 1 37 37 GLN HA H 1 4.339 0.005 . 1 . . . . 46 GLN HA . 15306 1 406 . 1 1 37 37 GLN HB2 H 1 2.164 0.014 . 2 . . . . 46 GLN HB2 . 15306 1 407 . 1 1 37 37 GLN HB3 H 1 1.986 0.009 . 2 . . . . 46 GLN HB3 . 15306 1 408 . 1 1 37 37 GLN HE21 H 1 8.235 0.01 . 2 . . . . 46 GLN HE21 . 15306 1 409 . 1 1 37 37 GLN HE22 H 1 7.725 0.01 . 2 . . . . 46 GLN HE22 . 15306 1 410 . 1 1 37 37 GLN HG2 H 1 2.507 0.007 . 2 . . . . 46 GLN HG2 . 15306 1 411 . 1 1 37 37 GLN HG3 H 1 2.317 0.006 . 2 . . . . 46 GLN HG3 . 15306 1 412 . 1 1 37 37 GLN CA C 13 56.002 0.1 . 1 . . . . 46 GLN CA . 15306 1 413 . 1 1 37 37 GLN CB C 13 30.241 0.1 . 1 . . . . 46 GLN CB . 15306 1 414 . 1 1 37 37 GLN CG C 13 34.938 0.1 . 1 . . . . 46 GLN CG . 15306 1 415 . 1 1 37 37 GLN N N 15 120.699 0.1 . 1 . . . . 46 GLN N . 15306 1 416 . 1 1 37 37 GLN NE2 N 15 113.764 0.1 . 1 . . . . 46 GLN NE2 . 15306 1 417 . 1 1 38 38 CYS H H 1 7.787 0.01 . 1 . . . . 47 CYS HN . 15306 1 418 . 1 1 38 38 CYS HA H 1 5.257 0.01 . 1 . . . . 47 CYS HA . 15306 1 419 . 1 1 38 38 CYS HB2 H 1 2.729 0.010 . 2 . . . . 47 CYS HB2 . 15306 1 420 . 1 1 38 38 CYS CA C 13 56.761 0.1 . 1 . . . . 47 CYS CA . 15306 1 421 . 1 1 38 38 CYS CB C 13 29.250 0.1 . 1 . . . . 47 CYS CB . 15306 1 422 . 1 1 38 38 CYS N N 15 124.214 0.1 . 1 . . . . 47 CYS N . 15306 1 423 . 1 1 39 39 HIS H H 1 8.906 0.01 . 1 . . . . 48 HIS HN . 15306 1 424 . 1 1 39 39 HIS HA H 1 4.730 0.01 . 1 . . . . 48 HIS HA . 15306 1 425 . 1 1 39 39 HIS HB2 H 1 2.327 0.01 . 2 . . . . 48 HIS HB2 . 15306 1 426 . 1 1 39 39 HIS HB3 H 1 1.770 0.01 . 2 . . . . 48 HIS HB3 . 15306 1 427 . 1 1 39 39 HIS HD2 H 1 6.235 0.005 . 1 . . . . 48 HIS HD2 . 15306 1 428 . 1 1 39 39 HIS CA C 13 54.888 0.1 . 1 . . . . 48 HIS CA . 15306 1 429 . 1 1 39 39 HIS CB C 13 34.688 0.1 . 1 . . . . 48 HIS CB . 15306 1 430 . 1 1 39 39 HIS CD2 C 13 117.786 0.1 . 1 . . . . 48 HIS CD2 . 15306 1 431 . 1 1 39 39 HIS N N 15 125.807 0.1 . 1 . . . . 48 HIS N . 15306 1 432 . 1 1 40 40 SER H H 1 8.728 0.01 . 1 . . . . 49 SER HN . 15306 1 433 . 1 1 40 40 SER HA H 1 5.732 0.008 . 1 . . . . 49 SER HA . 15306 1 434 . 1 1 40 40 SER HB2 H 1 3.833 0.008 . 2 . . . . 49 SER HB2 . 15306 1 435 . 1 1 40 40 SER HB3 H 1 3.719 0.005 . 2 . . . . 49 SER HB3 . 15306 1 436 . 1 1 40 40 SER CA C 13 57.041 0.015 . 1 . . . . 49 SER CA . 15306 1 437 . 1 1 40 40 SER CB C 13 66.274 0.1 . 1 . . . . 49 SER CB . 15306 1 438 . 1 1 40 40 SER N N 15 116.034 0.1 . 1 . . . . 49 SER N . 15306 1 439 . 1 1 41 41 THR H H 1 9.212 0.01 . 1 . . . . 50 THR HN . 15306 1 440 . 1 1 41 41 THR HA H 1 4.477 0.01 . 1 . . . . 50 THR HA . 15306 1 441 . 1 1 41 41 THR HB H 1 4.569 0.013 . 1 . . . . 50 THR HB . 15306 1 442 . 1 1 41 41 THR HG21 H 1 0.868 0.007 . 2 . . . . 50 THR QG2 . 15306 1 443 . 1 1 41 41 THR HG22 H 1 0.868 0.007 . 2 . . . . 50 THR QG2 . 15306 1 444 . 1 1 41 41 THR HG23 H 1 0.868 0.007 . 2 . . . . 50 THR QG2 . 15306 1 445 . 1 1 41 41 THR CA C 13 61.457 0.024 . 1 . . . . 50 THR CA . 15306 1 446 . 1 1 41 41 THR CB C 13 72.337 0.1 . 1 . . . . 50 THR CB . 15306 1 447 . 1 1 41 41 THR CG2 C 13 19.456 0.1 . 1 . . . . 50 THR CG2 . 15306 1 448 . 1 1 41 41 THR N N 15 115.404 0.1 . 1 . . . . 50 THR N . 15306 1 449 . 1 1 42 42 ASP H H 1 9.424 0.01 . 1 . . . . 51 ASP HN . 15306 1 450 . 1 1 42 42 ASP HA H 1 4.676 0.01 . 1 . . . . 51 ASP HA . 15306 1 451 . 1 1 42 42 ASP HB2 H 1 2.906 0.005 . 2 . . . . 51 ASP HB2 . 15306 1 452 . 1 1 42 42 ASP HB3 H 1 2.782 0.01 . 2 . . . . 51 ASP HB3 . 15306 1 453 . 1 1 42 42 ASP CA C 13 54.996 0.1 . 1 . . . . 51 ASP CA . 15306 1 454 . 1 1 42 42 ASP CB C 13 41.543 0.1 . 1 . . . . 51 ASP CB . 15306 1 455 . 1 1 42 42 ASP N N 15 119.340 0.1 . 1 . . . . 51 ASP N . 15306 1 456 . 1 1 43 43 THR H H 1 8.650 0.01 . 1 . . . . 52 THR HN . 15306 1 457 . 1 1 43 43 THR HA H 1 4.858 0.006 . 1 . . . . 52 THR HA . 15306 1 458 . 1 1 43 43 THR HB H 1 3.863 0.005 . 1 . . . . 52 THR HB . 15306 1 459 . 1 1 43 43 THR HG21 H 1 1.114 0.005 . 2 . . . . 52 THR QG2 . 15306 1 460 . 1 1 43 43 THR HG22 H 1 1.114 0.005 . 2 . . . . 52 THR QG2 . 15306 1 461 . 1 1 43 43 THR HG23 H 1 1.114 0.005 . 2 . . . . 52 THR QG2 . 15306 1 462 . 1 1 43 43 THR CA C 13 62.637 0.1 . 1 . . . . 52 THR CA . 15306 1 463 . 1 1 43 43 THR CB C 13 70.191 0.1 . 1 . . . . 52 THR CB . 15306 1 464 . 1 1 43 43 THR CG2 C 13 23.933 0.1 . 1 . . . . 52 THR CG2 . 15306 1 465 . 1 1 43 43 THR N N 15 117.836 0.1 . 1 . . . . 52 THR N . 15306 1 466 . 1 1 44 44 VAL H H 1 8.266 0.01 . 1 . . . . 53 VAL HN . 15306 1 467 . 1 1 44 44 VAL HA H 1 4.363 0.011 . 1 . . . . 53 VAL HA . 15306 1 468 . 1 1 44 44 VAL HB H 1 1.802 0.007 . 1 . . . . 53 VAL HB . 15306 1 469 . 1 1 44 44 VAL HG11 H 1 1.012 0.005 . 2 . . . . 53 VAL QG1 . 15306 1 470 . 1 1 44 44 VAL HG12 H 1 1.012 0.005 . 2 . . . . 53 VAL QG1 . 15306 1 471 . 1 1 44 44 VAL HG13 H 1 1.012 0.005 . 2 . . . . 53 VAL QG1 . 15306 1 472 . 1 1 44 44 VAL HG21 H 1 0.802 0.008 . 2 . . . . 53 VAL QG2 . 15306 1 473 . 1 1 44 44 VAL HG22 H 1 0.802 0.008 . 2 . . . . 53 VAL QG2 . 15306 1 474 . 1 1 44 44 VAL HG23 H 1 0.802 0.008 . 2 . . . . 53 VAL QG2 . 15306 1 475 . 1 1 44 44 VAL CA C 13 61.086 0.1 . 1 . . . . 53 VAL CA . 15306 1 476 . 1 1 44 44 VAL CB C 13 33.361 0.1 . 1 . . . . 53 VAL CB . 15306 1 477 . 1 1 44 44 VAL CG1 C 13 22.930 0.1 . 2 . . . . 53 VAL CG1 . 15306 1 478 . 1 1 44 44 VAL CG2 C 13 21.881 0.1 . 2 . . . . 53 VAL CG2 . 15306 1 479 . 1 1 44 44 VAL N N 15 127.775 0.1 . 1 . . . . 53 VAL N . 15306 1 480 . 1 1 45 45 LYS H H 1 8.163 0.01 . 1 . . . . 54 LYS HN . 15306 1 481 . 1 1 45 45 LYS HA H 1 4.229 0.006 . 1 . . . . 54 LYS HA . 15306 1 482 . 1 1 45 45 LYS HB2 H 1 1.693 0.01 . 2 . . . . 54 LYS HB2 . 15306 1 483 . 1 1 45 45 LYS HD2 H 1 1.664 0.010 . 2 . . . . 54 LYS HD2 . 15306 1 484 . 1 1 45 45 LYS HE2 H 1 3.020 0.009 . 2 . . . . 54 LYS HE2 . 15306 1 485 . 1 1 45 45 LYS HG2 H 1 1.533 0.007 . 2 . . . . 54 LYS HG2 . 15306 1 486 . 1 1 45 45 LYS HG3 H 1 1.333 0.007 . 2 . . . . 54 LYS HG3 . 15306 1 487 . 1 1 45 45 LYS CA C 13 56.627 0.1 . 1 . . . . 54 LYS CA . 15306 1 488 . 1 1 45 45 LYS CB C 13 33.739 0.1 . 1 . . . . 54 LYS CB . 15306 1 489 . 1 1 45 45 LYS CD C 13 29.350 0.1 . 1 . . . . 54 LYS CD . 15306 1 490 . 1 1 45 45 LYS CE C 13 42.133 0.1 . 1 . . . . 54 LYS CE . 15306 1 491 . 1 1 45 45 LYS CG C 13 25.806 0.1 . 1 . . . . 54 LYS CG . 15306 1 492 . 1 1 45 45 LYS N N 15 120.934 0.1 . 1 . . . . 54 LYS N . 15306 1 493 . 1 1 46 46 ASN H H 1 9.642 0.01 . 1 . . . . 55 ASN HN . 15306 1 494 . 1 1 46 46 ASN HA H 1 4.150 0.006 . 1 . . . . 55 ASN HA . 15306 1 495 . 1 1 46 46 ASN HB2 H 1 2.858 0.005 . 2 . . . . 55 ASN HB2 . 15306 1 496 . 1 1 46 46 ASN HB3 H 1 2.651 0.005 . 2 . . . . 55 ASN HB3 . 15306 1 497 . 1 1 46 46 ASN HD21 H 1 7.676 0.01 . 2 . . . . 55 ASN HD21 . 15306 1 498 . 1 1 46 46 ASN HD22 H 1 7.032 0.01 . 2 . . . . 55 ASN HD22 . 15306 1 499 . 1 1 46 46 ASN CA C 13 54.029 0.1 . 1 . . . . 55 ASN CA . 15306 1 500 . 1 1 46 46 ASN CB C 13 38.668 0.1 . 1 . . . . 55 ASN CB . 15306 1 501 . 1 1 46 46 ASN N N 15 121.215 0.1 . 1 . . . . 55 ASN N . 15306 1 502 . 1 1 46 46 ASN ND2 N 15 114.701 0.1 . 1 . . . . 55 ASN ND2 . 15306 1 503 . 1 1 47 47 THR H H 1 8.246 0.01 . 1 . . . . 56 THR HN . 15306 1 504 . 1 1 47 47 THR HA H 1 4.661 0.007 . 1 . . . . 56 THR HA . 15306 1 505 . 1 1 47 47 THR HB H 1 4.152 0.005 . 1 . . . . 56 THR HB . 15306 1 506 . 1 1 47 47 THR HG21 H 1 0.691 0.005 . 2 . . . . 56 THR QG2 . 15306 1 507 . 1 1 47 47 THR HG22 H 1 0.691 0.005 . 2 . . . . 56 THR QG2 . 15306 1 508 . 1 1 47 47 THR HG23 H 1 0.691 0.005 . 2 . . . . 56 THR QG2 . 15306 1 509 . 1 1 47 47 THR CA C 13 60.963 0.1 . 1 . . . . 56 THR CA . 15306 1 510 . 1 1 47 47 THR CB C 13 68.512 0.1 . 1 . . . . 56 THR CB . 15306 1 511 . 1 1 47 47 THR CG2 C 13 20.389 0.1 . 1 . . . . 56 THR CG2 . 15306 1 512 . 1 1 47 47 THR N N 15 111.936 0.1 . 1 . . . . 56 THR N . 15306 1 513 . 1 1 48 48 LEU H H 1 8.245 0.01 . 1 . . . . 57 LEU HN . 15306 1 514 . 1 1 48 48 LEU HA H 1 4.410 0.01 . 1 . . . . 57 LEU HA . 15306 1 515 . 1 1 48 48 LEU HB2 H 1 1.840 0.005 . 2 . . . . 57 LEU HB2 . 15306 1 516 . 1 1 48 48 LEU HB3 H 1 1.615 0.005 . 2 . . . . 57 LEU HB3 . 15306 1 517 . 1 1 48 48 LEU HD11 H 1 0.892 0.008 . 2 . . . . 57 LEU QD1 . 15306 1 518 . 1 1 48 48 LEU HD12 H 1 0.892 0.008 . 2 . . . . 57 LEU QD1 . 15306 1 519 . 1 1 48 48 LEU HD13 H 1 0.892 0.008 . 2 . . . . 57 LEU QD1 . 15306 1 520 . 1 1 48 48 LEU HD21 H 1 0.598 0.009 . 2 . . . . 57 LEU QD2 . 15306 1 521 . 1 1 48 48 LEU HD22 H 1 0.598 0.009 . 2 . . . . 57 LEU QD2 . 15306 1 522 . 1 1 48 48 LEU HD23 H 1 0.598 0.009 . 2 . . . . 57 LEU QD2 . 15306 1 523 . 1 1 48 48 LEU HG H 1 1.607 0.005 . 1 . . . . 57 LEU HG . 15306 1 524 . 1 1 48 48 LEU CA C 13 53.641 0.1 . 1 . . . . 57 LEU CA . 15306 1 525 . 1 1 48 48 LEU CB C 13 41.570 0.1 . 1 . . . . 57 LEU CB . 15306 1 526 . 1 1 48 48 LEU CD1 C 13 25.992 0.1 . 2 . . . . 57 LEU CD1 . 15306 1 527 . 1 1 48 48 LEU CD2 C 13 22.456 0.040 . 2 . . . . 57 LEU CD2 . 15306 1 528 . 1 1 48 48 LEU CG C 13 27.111 0.1 . 1 . . . . 57 LEU CG . 15306 1 529 . 1 1 48 48 LEU N N 15 122.433 0.1 . 1 . . . . 57 LEU N . 15306 1 530 . 1 1 49 49 ASP H H 1 8.544 0.01 . 1 . . . . 58 ASP HN . 15306 1 531 . 1 1 49 49 ASP HA H 1 5.419 0.005 . 1 . . . . 58 ASP HA . 15306 1 532 . 1 1 49 49 ASP HB2 H 1 2.707 0.006 . 2 . . . . 58 ASP HB2 . 15306 1 533 . 1 1 49 49 ASP HB3 H 1 2.231 0.008 . 2 . . . . 58 ASP HB3 . 15306 1 534 . 1 1 49 49 ASP CA C 13 51.826 0.1 . 1 . . . . 58 ASP CA . 15306 1 535 . 1 1 49 49 ASP CB C 13 44.085 0.1 . 1 . . . . 58 ASP CB . 15306 1 536 . 1 1 49 49 ASP N N 15 116.903 0.1 . 1 . . . . 58 ASP N . 15306 1 537 . 1 1 50 50 PRO HA H 1 3.790 0.007 . 1 . . . . 59 PRO HA . 15306 1 538 . 1 1 50 50 PRO HB2 H 1 1.246 0.01 . 2 . . . . 59 PRO HB2 . 15306 1 539 . 1 1 50 50 PRO HB3 H 1 0.324 0.005 . 2 . . . . 59 PRO HB3 . 15306 1 540 . 1 1 50 50 PRO HD2 H 1 3.203 0.010 . 2 . . . . 59 PRO HD2 . 15306 1 541 . 1 1 50 50 PRO HD3 H 1 2.834 0.010 . 2 . . . . 59 PRO HD3 . 15306 1 542 . 1 1 50 50 PRO HG2 H 1 1.267 0.011 . 2 . . . . 59 PRO HG2 . 15306 1 543 . 1 1 50 50 PRO CA C 13 63.219 0.1 . 1 . . . . 59 PRO CA . 15306 1 544 . 1 1 50 50 PRO CB C 13 32.661 0.044 . 1 . . . . 59 PRO CB . 15306 1 545 . 1 1 50 50 PRO CD C 13 50.233 0.1 . 1 . . . . 59 PRO CD . 15306 1 546 . 1 1 50 50 PRO CG C 13 29.536 0.1 . 1 . . . . 59 PRO CG . 15306 1 547 . 1 1 51 51 LYS H H 1 7.806 0.01 . 1 . . . . 60 LYS HN . 15306 1 548 . 1 1 51 51 LYS HA H 1 4.224 0.013 . 1 . . . . 60 LYS HA . 15306 1 549 . 1 1 51 51 LYS HB2 H 1 1.785 0.005 . 2 . . . . 60 LYS HB2 . 15306 1 550 . 1 1 51 51 LYS HB3 H 1 1.627 0.005 . 2 . . . . 60 LYS HB3 . 15306 1 551 . 1 1 51 51 LYS HD2 H 1 1.660 0.01 . 2 . . . . 60 LYS HD2 . 15306 1 552 . 1 1 51 51 LYS HE2 H 1 2.894 0.005 . 2 . . . . 60 LYS HE2 . 15306 1 553 . 1 1 51 51 LYS HG2 H 1 1.343 0.01 . 2 . . . . 60 LYS HG2 . 15306 1 554 . 1 1 51 51 LYS HG3 H 1 1.192 0.007 . 2 . . . . 60 LYS HG3 . 15306 1 555 . 1 1 51 51 LYS CA C 13 55.521 0.1 . 1 . . . . 60 LYS CA . 15306 1 556 . 1 1 51 51 LYS CB C 13 33.826 0.1 . 1 . . . . 60 LYS CB . 15306 1 557 . 1 1 51 51 LYS CD C 13 29.723 0.1 . 1 . . . . 60 LYS CD . 15306 1 558 . 1 1 51 51 LYS CE C 13 42.593 0.1 . 1 . . . . 60 LYS CE . 15306 1 559 . 1 1 51 51 LYS CG C 13 25.619 0.1 . 1 . . . . 60 LYS CG . 15306 1 560 . 1 1 51 51 LYS N N 15 119.996 0.1 . 1 . . . . 60 LYS N . 15306 1 561 . 1 1 52 52 TRP H H 1 7.791 0.01 . 1 . . . . 61 TRP HN . 15306 1 562 . 1 1 52 52 TRP HA H 1 4.824 0.005 . 1 . . . . 61 TRP HA . 15306 1 563 . 1 1 52 52 TRP HB2 H 1 3.490 0.077 . 2 . . . . 61 TRP HB2 . 15306 1 564 . 1 1 52 52 TRP HB3 H 1 3.163 0.005 . 2 . . . . 61 TRP HB3 . 15306 1 565 . 1 1 52 52 TRP HD1 H 1 7.435 0.009 . 1 . . . . 61 TRP HD1 . 15306 1 566 . 1 1 52 52 TRP HE1 H 1 9.514 0.01 . 1 . . . . 61 TRP HE1 . 15306 1 567 . 1 1 52 52 TRP HH2 H 1 6.743 0.012 . 1 . . . . 61 TRP HH2 . 15306 1 568 . 1 1 52 52 TRP HZ2 H 1 6.763 0.012 . 1 . . . . 61 TRP HZ2 . 15306 1 569 . 1 1 52 52 TRP HZ3 H 1 6.628 0.011 . 1 . . . . 61 TRP HZ3 . 15306 1 570 . 1 1 52 52 TRP CA C 13 60.590 0.1 . 1 . . . . 61 TRP CA . 15306 1 571 . 1 1 52 52 TRP CB C 13 29.715 0.1 . 1 . . . . 61 TRP CB . 15306 1 572 . 1 1 52 52 TRP CD1 C 13 127.991 0.1 . 1 . . . . 61 TRP CD1 . 15306 1 573 . 1 1 52 52 TRP CH2 C 13 112.427 0.1 . 1 . . . . 61 TRP CH2 . 15306 1 574 . 1 1 52 52 TRP CZ2 C 13 119.597 0.1 . 1 . . . . 61 TRP CZ2 . 15306 1 575 . 1 1 52 52 TRP CZ3 C 13 122.158 0.1 . 1 . . . . 61 TRP CZ3 . 15306 1 576 . 1 1 52 52 TRP N N 15 122.386 0.1 . 1 . . . . 61 TRP N . 15306 1 577 . 1 1 52 52 TRP NE1 N 15 129.322 0.1 . 1 . . . . 61 TRP NE1 . 15306 1 578 . 1 1 53 53 ASN H H 1 9.040 0.01 . 1 . . . . 62 ASN HN . 15306 1 579 . 1 1 53 53 ASN HA H 1 4.419 0.005 . 1 . . . . 62 ASN HA . 15306 1 580 . 1 1 53 53 ASN HB2 H 1 3.418 0.005 . 2 . . . . 62 ASN HB2 . 15306 1 581 . 1 1 53 53 ASN HB3 H 1 2.333 0.005 . 2 . . . . 62 ASN HB3 . 15306 1 582 . 1 1 53 53 ASN HD21 H 1 7.506 0.01 . 2 . . . . 62 ASN HD21 . 15306 1 583 . 1 1 53 53 ASN HD22 H 1 6.588 0.01 . 2 . . . . 62 ASN HD22 . 15306 1 584 . 1 1 53 53 ASN CA C 13 53.789 0.1 . 1 . . . . 62 ASN CA . 15306 1 585 . 1 1 53 53 ASN CB C 13 37.922 0.1 . 1 . . . . 62 ASN CB . 15306 1 586 . 1 1 53 53 ASN N N 15 117.185 0.1 . 1 . . . . 62 ASN N . 15306 1 587 . 1 1 53 53 ASN ND2 N 15 109.077 0.1 . 1 . . . . 62 ASN ND2 . 15306 1 588 . 1 1 54 54 GLN H H 1 7.512 0.01 . 1 . . . . 63 GLN HN . 15306 1 589 . 1 1 54 54 GLN HA H 1 4.584 0.01 . 1 . . . . 63 GLN HA . 15306 1 590 . 1 1 54 54 GLN HB2 H 1 1.945 0.005 . 2 . . . . 63 GLN HB2 . 15306 1 591 . 1 1 54 54 GLN HB3 H 1 1.683 0.005 . 2 . . . . 63 GLN HB3 . 15306 1 592 . 1 1 54 54 GLN HE21 H 1 7.410 0.01 . 2 . . . . 63 GLN HE21 . 15306 1 593 . 1 1 54 54 GLN HE22 H 1 6.777 0.01 . 2 . . . . 63 GLN HE22 . 15306 1 594 . 1 1 54 54 GLN HG2 H 1 2.355 0.01 . 2 . . . . 63 GLN HG2 . 15306 1 595 . 1 1 54 54 GLN HG3 H 1 2.238 0.01 . 2 . . . . 63 GLN HG3 . 15306 1 596 . 1 1 54 54 GLN CA C 13 55.008 0.1 . 1 . . . . 63 GLN CA . 15306 1 597 . 1 1 54 54 GLN CB C 13 34.938 0.1 . 1 . . . . 63 GLN CB . 15306 1 598 . 1 1 54 54 GLN CG C 13 36.430 0.1 . 1 . . . . 63 GLN CG . 15306 1 599 . 1 1 54 54 GLN N N 15 116.341 0.1 . 1 . . . . 63 GLN N . 15306 1 600 . 1 1 54 54 GLN NE2 N 15 111.889 0.1 . 1 . . . . 63 GLN NE2 . 15306 1 601 . 1 1 55 55 HIS H H 1 7.782 0.01 . 1 . . . . 64 HIS HN . 15306 1 602 . 1 1 55 55 HIS HA H 1 5.796 0.005 . 1 . . . . 64 HIS HA . 15306 1 603 . 1 1 55 55 HIS HB2 H 1 2.915 0.005 . 2 . . . . 64 HIS HB2 . 15306 1 604 . 1 1 55 55 HIS HB3 H 1 2.576 0.005 . 2 . . . . 64 HIS HB3 . 15306 1 605 . 1 1 55 55 HIS HD2 H 1 6.751 0.005 . 2 . . . . 64 HIS HD2 . 15306 1 606 . 1 1 55 55 HIS CA C 13 53.059 0.1 . 1 . . . . 64 HIS CA . 15306 1 607 . 1 1 55 55 HIS CB C 13 34.378 0.1 . 1 . . . . 64 HIS CB . 15306 1 608 . 1 1 55 55 HIS CD2 C 13 118.485 0.1 . 1 . . . . 64 HIS CD2 . 15306 1 609 . 1 1 55 55 HIS N N 15 118.403 0.1 . 1 . . . . 64 HIS N . 15306 1 610 . 1 1 56 56 TYR H H 1 8.657 0.01 . 1 . . . . 65 TYR HN . 15306 1 611 . 1 1 56 56 TYR HA H 1 4.404 0.005 . 1 . . . . 65 TYR HA . 15306 1 612 . 1 1 56 56 TYR HB2 H 1 2.164 0.01 . 2 . . . . 65 TYR HB2 . 15306 1 613 . 1 1 56 56 TYR HB3 H 1 2.079 0.01 . 2 . . . . 65 TYR HB3 . 15306 1 614 . 1 1 56 56 TYR HD1 H 1 6.642 0.008 . 3 . . . . 65 TYR QD . 15306 1 615 . 1 1 56 56 TYR HD2 H 1 6.642 0.008 . 3 . . . . 65 TYR QD . 15306 1 616 . 1 1 56 56 TYR HE1 H 1 6.453 0.011 . 3 . . . . 65 TYR QE . 15306 1 617 . 1 1 56 56 TYR HE2 H 1 6.453 0.011 . 3 . . . . 65 TYR QE . 15306 1 618 . 1 1 56 56 TYR CA C 13 57.430 0.1 . 1 . . . . 65 TYR CA . 15306 1 619 . 1 1 56 56 TYR CB C 13 42.958 0.1 . 1 . . . . 65 TYR CB . 15306 1 620 . 1 1 56 56 TYR CD1 C 13 132.281 0.1 . 3 . . . . 65 TYR CD1 . 15306 1 621 . 1 1 56 56 TYR CE1 C 13 116.433 0.1 . 3 . . . . 65 TYR CE1 . 15306 1 622 . 1 1 56 56 TYR N N 15 116.435 0.1 . 1 . . . . 65 TYR N . 15306 1 623 . 1 1 57 57 ASP H H 1 8.772 0.01 . 1 . . . . 66 ASP HN . 15306 1 624 . 1 1 57 57 ASP HA H 1 5.283 0.005 . 1 . . . . 66 ASP HA . 15306 1 625 . 1 1 57 57 ASP HB2 H 1 2.584 0.005 . 2 . . . . 66 ASP HB2 . 15306 1 626 . 1 1 57 57 ASP HB3 H 1 2.091 0.007 . 2 . . . . 66 ASP HB3 . 15306 1 627 . 1 1 57 57 ASP CA C 13 54.250 0.1 . 1 . . . . 66 ASP CA . 15306 1 628 . 1 1 57 57 ASP CB C 13 40.914 0.1 . 1 . . . . 66 ASP CB . 15306 1 629 . 1 1 57 57 ASP N N 15 124.776 0.1 . 1 . . . . 66 ASP N . 15306 1 630 . 1 1 58 58 LEU H H 1 9.175 0.01 . 1 . . . . 67 LEU HN . 15306 1 631 . 1 1 58 58 LEU HA H 1 4.589 0.005 . 1 . . . . 67 LEU HA . 15306 1 632 . 1 1 58 58 LEU HB2 H 1 1.699 0.010 . 2 . . . . 67 LEU HB2 . 15306 1 633 . 1 1 58 58 LEU HB3 H 1 1.166 0.008 . 2 . . . . 67 LEU HB3 . 15306 1 634 . 1 1 58 58 LEU HD11 H 1 0.719 0.01 . 2 . . . . 67 LEU QD1 . 15306 1 635 . 1 1 58 58 LEU HD12 H 1 0.719 0.01 . 2 . . . . 67 LEU QD1 . 15306 1 636 . 1 1 58 58 LEU HD13 H 1 0.719 0.01 . 2 . . . . 67 LEU QD1 . 15306 1 637 . 1 1 58 58 LEU HD21 H 1 0.732 0.006 . 2 . . . . 67 LEU QD2 . 15306 1 638 . 1 1 58 58 LEU HD22 H 1 0.732 0.006 . 2 . . . . 67 LEU QD2 . 15306 1 639 . 1 1 58 58 LEU HD23 H 1 0.732 0.006 . 2 . . . . 67 LEU QD2 . 15306 1 640 . 1 1 58 58 LEU HG H 1 0.725 0.01 . 1 . . . . 67 LEU HG . 15306 1 641 . 1 1 58 58 LEU CA C 13 53.131 0.1 . 1 . . . . 67 LEU CA . 15306 1 642 . 1 1 58 58 LEU CB C 13 45.060 0.048 . 1 . . . . 67 LEU CB . 15306 1 643 . 1 1 58 58 LEU CD2 C 13 23.492 0.1 . 2 . . . . 67 LEU CD2 . 15306 1 644 . 1 1 58 58 LEU CG C 13 27.298 0.1 . 1 . . . . 67 LEU CG . 15306 1 645 . 1 1 58 58 LEU N N 15 124.558 0.1 . 1 . . . . 67 LEU N . 15306 1 646 . 1 1 59 59 TYR H H 1 8.877 0.01 . 1 . . . . 68 TYR HN . 15306 1 647 . 1 1 59 59 TYR HA H 1 5.096 0.009 . 1 . . . . 68 TYR HA . 15306 1 648 . 1 1 59 59 TYR HB2 H 1 2.856 0.011 . 2 . . . . 68 TYR HB2 . 15306 1 649 . 1 1 59 59 TYR HB3 H 1 2.758 0.019 . 2 . . . . 68 TYR HB3 . 15306 1 650 . 1 1 59 59 TYR HD1 H 1 7.005 0.011 . 3 . . . . 68 TYR QD . 15306 1 651 . 1 1 59 59 TYR HD2 H 1 7.005 0.011 . 3 . . . . 68 TYR QD . 15306 1 652 . 1 1 59 59 TYR HE1 H 1 6.820 0.007 . 3 . . . . 68 TYR QE . 15306 1 653 . 1 1 59 59 TYR HE2 H 1 6.820 0.007 . 3 . . . . 68 TYR QE . 15306 1 654 . 1 1 59 59 TYR CA C 13 57.606 0.1 . 1 . . . . 68 TYR CA . 15306 1 655 . 1 1 59 59 TYR CB C 13 39.422 0.1 . 1 . . . . 68 TYR CB . 15306 1 656 . 1 1 59 59 TYR CD1 C 13 132.094 0.1 . 3 . . . . 68 TYR CD1 . 15306 1 657 . 1 1 59 59 TYR CE1 C 13 117.366 0.1 . 3 . . . . 68 TYR CE1 . 15306 1 658 . 1 1 59 59 TYR N N 15 121.215 0.1 . 1 . . . . 68 TYR N . 15306 1 659 . 1 1 60 60 ILE H H 1 9.162 0.01 . 1 . . . . 69 ILE HN . 15306 1 660 . 1 1 60 60 ILE HA H 1 4.551 0.01 . 1 . . . . 69 ILE HA . 15306 1 661 . 1 1 60 60 ILE HB H 1 1.967 0.01 . 1 . . . . 69 ILE HB . 15306 1 662 . 1 1 60 60 ILE HD11 H 1 0.724 0.005 . 2 . . . . 69 ILE QD1 . 15306 1 663 . 1 1 60 60 ILE HD12 H 1 0.724 0.005 . 2 . . . . 69 ILE QD1 . 15306 1 664 . 1 1 60 60 ILE HD13 H 1 0.724 0.005 . 2 . . . . 69 ILE QD1 . 15306 1 665 . 1 1 60 60 ILE HG12 H 1 1.388 0.005 . 2 . . . . 69 ILE HG12 . 15306 1 666 . 1 1 60 60 ILE HG13 H 1 1.108 0.008 . 2 . . . . 69 ILE HG13 . 15306 1 667 . 1 1 60 60 ILE HG21 H 1 0.934 0.009 . 2 . . . . 69 ILE QG2 . 15306 1 668 . 1 1 60 60 ILE HG22 H 1 0.934 0.009 . 2 . . . . 69 ILE QG2 . 15306 1 669 . 1 1 60 60 ILE HG23 H 1 0.934 0.009 . 2 . . . . 69 ILE QG2 . 15306 1 670 . 1 1 60 60 ILE CA C 13 59.471 0.1 . 1 . . . . 69 ILE CA . 15306 1 671 . 1 1 60 60 ILE CB C 13 40.500 0.1 . 1 . . . . 69 ILE CB . 15306 1 672 . 1 1 60 60 ILE CD1 C 13 13.876 0.1 . 1 . . . . 69 ILE CD1 . 15306 1 673 . 1 1 60 60 ILE CG1 C 13 27.026 0.1 . 1 . . . . 69 ILE CG1 . 15306 1 674 . 1 1 60 60 ILE CG2 C 13 18.912 0.1 . 1 . . . . 69 ILE CG2 . 15306 1 675 . 1 1 60 60 ILE N N 15 124.823 0.1 . 1 . . . . 69 ILE N . 15306 1 676 . 1 1 61 61 GLY H H 1 9.960 0.01 . 1 . . . . 70 GLY HN . 15306 1 677 . 1 1 61 61 GLY HA2 H 1 4.517 0.023 . 2 . . . . 70 GLY HA1 . 15306 1 678 . 1 1 61 61 GLY HA3 H 1 3.881 0.006 . 2 . . . . 70 GLY HA2 . 15306 1 679 . 1 1 61 61 GLY CA C 13 44.083 0.1 . 1 . . . . 70 GLY CA . 15306 1 680 . 1 1 61 61 GLY N N 15 117.841 0.1 . 1 . . . . 70 GLY N . 15306 1 681 . 1 1 62 62 LYS H H 1 8.605 0.01 . 1 . . . . 71 LYS HN . 15306 1 682 . 1 1 62 62 LYS HA H 1 4.090 0.005 . 1 . . . . 71 LYS HA . 15306 1 683 . 1 1 62 62 LYS HB2 H 1 1.889 0.01 . 2 . . . . 71 LYS HB2 . 15306 1 684 . 1 1 62 62 LYS HD2 H 1 1.742 0.005 . 2 . . . . 71 LYS HD2 . 15306 1 685 . 1 1 62 62 LYS HE2 H 1 3.055 0.006 . 2 . . . . 71 LYS HE2 . 15306 1 686 . 1 1 62 62 LYS HG2 H 1 1.527 0.006 . 2 . . . . 71 LYS HG2 . 15306 1 687 . 1 1 62 62 LYS CA C 13 59.447 0.1 . 1 . . . . 71 LYS CA . 15306 1 688 . 1 1 62 62 LYS CB C 13 33.453 0.1 . 1 . . . . 71 LYS CB . 15306 1 689 . 1 1 62 62 LYS CD C 13 29.909 0.1 . 1 . . . . 71 LYS CD . 15306 1 690 . 1 1 62 62 LYS CE C 13 42.316 0.341 . 1 . . . . 71 LYS CE . 15306 1 691 . 1 1 62 62 LYS CG C 13 25.246 0.1 . 1 . . . . 71 LYS CG . 15306 1 692 . 1 1 62 62 LYS N N 15 119.434 0.1 . 1 . . . . 71 LYS N . 15306 1 693 . 1 1 63 63 SER H H 1 8.544 0.01 . 1 . . . . 72 SER HN . 15306 1 694 . 1 1 63 63 SER HA H 1 4.811 0.006 . 1 . . . . 72 SER HA . 15306 1 695 . 1 1 63 63 SER HB2 H 1 3.975 0.009 . 2 . . . . 72 SER HB2 . 15306 1 696 . 1 1 63 63 SER CA C 13 57.606 0.1 . 1 . . . . 72 SER CA . 15306 1 697 . 1 1 63 63 SER CB C 13 64.013 0.1 . 1 . . . . 72 SER CB . 15306 1 698 . 1 1 63 63 SER N N 15 111.842 0.1 . 1 . . . . 72 SER N . 15306 1 699 . 1 1 64 64 ASP H H 1 7.247 0.01 . 1 . . . . 73 ASP HN . 15306 1 700 . 1 1 64 64 ASP HA H 1 4.867 0.006 . 1 . . . . 73 ASP HA . 15306 1 701 . 1 1 64 64 ASP HB2 H 1 2.708 0.01 . 2 . . . . 73 ASP HB2 . 15306 1 702 . 1 1 64 64 ASP CA C 13 55.500 0.1 . 1 . . . . 73 ASP CA . 15306 1 703 . 1 1 64 64 ASP CB C 13 43.331 0.1 . 1 . . . . 73 ASP CB . 15306 1 704 . 1 1 64 64 ASP N N 15 121.964 0.1 . 1 . . . . 73 ASP N . 15306 1 705 . 1 1 65 65 SER H H 1 8.742 0.01 . 1 . . . . 74 SER HN . 15306 1 706 . 1 1 65 65 SER HA H 1 5.074 0.010 . 1 . . . . 74 SER HA . 15306 1 707 . 1 1 65 65 SER HB2 H 1 3.936 0.008 . 2 . . . . 74 SER HB2 . 15306 1 708 . 1 1 65 65 SER CA C 13 56.301 0.1 . 1 . . . . 74 SER CA . 15306 1 709 . 1 1 65 65 SER CB C 13 67.579 0.1 . 1 . . . . 74 SER CB . 15306 1 710 . 1 1 65 65 SER N N 15 111.936 0.1 . 1 . . . . 74 SER N . 15306 1 711 . 1 1 66 66 VAL H H 1 8.622 0.01 . 1 . . . . 75 VAL HN . 15306 1 712 . 1 1 66 66 VAL HA H 1 5.095 0.007 . 1 . . . . 75 VAL HA . 15306 1 713 . 1 1 66 66 VAL HB H 1 1.835 0.005 . 1 . . . . 75 VAL HB . 15306 1 714 . 1 1 66 66 VAL HG11 H 1 0.863 0.01 . 2 . . . . 75 VAL QG1 . 15306 1 715 . 1 1 66 66 VAL HG12 H 1 0.863 0.01 . 2 . . . . 75 VAL QG1 . 15306 1 716 . 1 1 66 66 VAL HG13 H 1 0.863 0.01 . 2 . . . . 75 VAL QG1 . 15306 1 717 . 1 1 66 66 VAL HG21 H 1 0.780 0.005 . 2 . . . . 75 VAL QG2 . 15306 1 718 . 1 1 66 66 VAL HG22 H 1 0.780 0.005 . 2 . . . . 75 VAL QG2 . 15306 1 719 . 1 1 66 66 VAL HG23 H 1 0.780 0.005 . 2 . . . . 75 VAL QG2 . 15306 1 720 . 1 1 66 66 VAL CA C 13 60.217 0.1 . 1 . . . . 75 VAL CA . 15306 1 721 . 1 1 66 66 VAL CB C 13 36.617 0.1 . 1 . . . . 75 VAL CB . 15306 1 722 . 1 1 66 66 VAL CG1 C 13 22.762 0.1 . 2 . . . . 75 VAL CG1 . 15306 1 723 . 1 1 66 66 VAL CG2 C 13 21.085 0.1 . 2 . . . . 75 VAL CG2 . 15306 1 724 . 1 1 66 66 VAL N N 15 119.422 0.1 . 1 . . . . 75 VAL N . 15306 1 725 . 1 1 67 67 THR H H 1 9.152 0.007 . 1 . . . . 76 THR HN . 15306 1 726 . 1 1 67 67 THR HA H 1 5.199 0.005 . 1 . . . . 76 THR HA . 15306 1 727 . 1 1 67 67 THR HB H 1 4.007 0.006 . 1 . . . . 76 THR HB . 15306 1 728 . 1 1 67 67 THR HG21 H 1 1.178 0.005 . 2 . . . . 76 THR QG2 . 15306 1 729 . 1 1 67 67 THR HG22 H 1 1.178 0.005 . 2 . . . . 76 THR QG2 . 15306 1 730 . 1 1 67 67 THR HG23 H 1 1.178 0.005 . 2 . . . . 76 THR QG2 . 15306 1 731 . 1 1 67 67 THR CA C 13 63.014 0.1 . 1 . . . . 76 THR CA . 15306 1 732 . 1 1 67 67 THR CB C 13 69.703 0.1 . 1 . . . . 76 THR CB . 15306 1 733 . 1 1 67 67 THR CG2 C 13 21.322 0.1 . 1 . . . . 76 THR CG2 . 15306 1 734 . 1 1 67 67 THR N N 15 123.839 0.1 . 1 . . . . 76 THR N . 15306 1 735 . 1 1 68 68 ILE H H 1 9.106 0.01 . 1 . . . . 77 ILE HN . 15306 1 736 . 1 1 68 68 ILE HA H 1 5.389 0.005 . 1 . . . . 77 ILE HA . 15306 1 737 . 1 1 68 68 ILE HB H 1 1.734 0.005 . 1 . . . . 77 ILE HB . 15306 1 738 . 1 1 68 68 ILE HD11 H 1 0.811 0.01 . 2 . . . . 77 ILE QD1 . 15306 1 739 . 1 1 68 68 ILE HD12 H 1 0.811 0.01 . 2 . . . . 77 ILE QD1 . 15306 1 740 . 1 1 68 68 ILE HD13 H 1 0.811 0.01 . 2 . . . . 77 ILE QD1 . 15306 1 741 . 1 1 68 68 ILE HG12 H 1 1.602 0.01 . 2 . . . . 77 ILE HG12 . 15306 1 742 . 1 1 68 68 ILE HG13 H 1 0.862 0.01 . 2 . . . . 77 ILE HG13 . 15306 1 743 . 1 1 68 68 ILE HG21 H 1 0.728 0.005 . 2 . . . . 77 ILE QG2 . 15306 1 744 . 1 1 68 68 ILE HG22 H 1 0.728 0.005 . 2 . . . . 77 ILE QG2 . 15306 1 745 . 1 1 68 68 ILE HG23 H 1 0.728 0.005 . 2 . . . . 77 ILE QG2 . 15306 1 746 . 1 1 68 68 ILE CA C 13 59.844 0.1 . 1 . . . . 77 ILE CA . 15306 1 747 . 1 1 68 68 ILE CB C 13 40.347 0.1 . 1 . . . . 77 ILE CB . 15306 1 748 . 1 1 68 68 ILE CD1 C 13 15.551 0.1 . 1 . . . . 77 ILE CD1 . 15306 1 749 . 1 1 68 68 ILE CG1 C 13 20.819 0.184 . 1 . . . . 77 ILE CG1 . 15306 1 750 . 1 1 68 68 ILE CG2 C 13 18.539 0.1 . 1 . . . . 77 ILE CG2 . 15306 1 751 . 1 1 68 68 ILE N N 15 129.275 0.1 . 1 . . . . 77 ILE N . 15306 1 752 . 1 1 69 69 SER H H 1 9.645 0.011 . 1 . . . . 78 SER HN . 15306 1 753 . 1 1 69 69 SER HA H 1 5.265 0.005 . 1 . . . . 78 SER HA . 15306 1 754 . 1 1 69 69 SER HB2 H 1 3.947 0.005 . 2 . . . . 78 SER HB2 . 15306 1 755 . 1 1 69 69 SER HB3 H 1 3.786 0.006 . 2 . . . . 78 SER HB3 . 15306 1 756 . 1 1 69 69 SER CA C 13 56.114 0.1 . 1 . . . . 78 SER CA . 15306 1 757 . 1 1 69 69 SER CB C 13 66.087 0.1 . 1 . . . . 78 SER CB . 15306 1 758 . 1 1 69 69 SER N N 15 120.559 0.1 . 1 . . . . 78 SER N . 15306 1 759 . 1 1 70 70 VAL H H 1 8.482 0.005 . 1 . . . . 79 VAL HN . 15306 1 760 . 1 1 70 70 VAL HA H 1 4.676 0.01 . 1 . . . . 79 VAL HA . 15306 1 761 . 1 1 70 70 VAL HB H 1 1.406 0.013 . 1 . . . . 79 VAL HB . 15306 1 762 . 1 1 70 70 VAL HG11 H 1 1.010 0.005 . 2 . . . . 79 VAL QG1 . 15306 1 763 . 1 1 70 70 VAL HG12 H 1 1.010 0.005 . 2 . . . . 79 VAL QG1 . 15306 1 764 . 1 1 70 70 VAL HG13 H 1 1.010 0.005 . 2 . . . . 79 VAL QG1 . 15306 1 765 . 1 1 70 70 VAL HG21 H 1 0.685 0.01 . 2 . . . . 79 VAL QG2 . 15306 1 766 . 1 1 70 70 VAL HG22 H 1 0.685 0.01 . 2 . . . . 79 VAL QG2 . 15306 1 767 . 1 1 70 70 VAL HG23 H 1 0.685 0.01 . 2 . . . . 79 VAL QG2 . 15306 1 768 . 1 1 70 70 VAL CA C 13 60.852 0.136 . 1 . . . . 79 VAL CA . 15306 1 769 . 1 1 70 70 VAL CB C 13 32.992 0.1 . 1 . . . . 79 VAL CB . 15306 1 770 . 1 1 70 70 VAL CG1 C 13 23.388 0.1 . 2 . . . . 79 VAL CG1 . 15306 1 771 . 1 1 70 70 VAL CG2 C 13 22.511 0.1 . 2 . . . . 79 VAL CG2 . 15306 1 772 . 1 1 70 70 VAL N N 15 121.777 0.1 . 1 . . . . 79 VAL N . 15306 1 773 . 1 1 71 71 TRP H H 1 8.627 0.007 . 1 . . . . 80 TRP HN . 15306 1 774 . 1 1 71 71 TRP HA H 1 4.930 0.009 . 1 . . . . 80 TRP HA . 15306 1 775 . 1 1 71 71 TRP HB2 H 1 2.745 0.005 . 2 . . . . 80 TRP HB2 . 15306 1 776 . 1 1 71 71 TRP HB3 H 1 1.528 0.005 . 2 . . . . 80 TRP HB3 . 15306 1 777 . 1 1 71 71 TRP HD1 H 1 6.384 0.008 . 1 . . . . 80 TRP HD1 . 15306 1 778 . 1 1 71 71 TRP HE1 H 1 10.016 0.01 . 1 . . . . 80 TRP HE1 . 15306 1 779 . 1 1 71 71 TRP HE3 H 1 7.530 0.010 . 1 . . . . 80 TRP HE3 . 15306 1 780 . 1 1 71 71 TRP HH2 H 1 7.251 0.005 . 1 . . . . 80 TRP HH2 . 15306 1 781 . 1 1 71 71 TRP HZ2 H 1 7.575 0.005 . 1 . . . . 80 TRP HZ2 . 15306 1 782 . 1 1 71 71 TRP HZ3 H 1 7.021 0.011 . 1 . . . . 80 TRP HZ3 . 15306 1 783 . 1 1 71 71 TRP CA C 13 55.182 0.1 . 1 . . . . 80 TRP CA . 15306 1 784 . 1 1 71 71 TRP CB C 13 34.058 0.053 . 1 . . . . 80 TRP CB . 15306 1 785 . 1 1 71 71 TRP CD1 C 13 125.939 0.1 . 1 . . . . 80 TRP CD1 . 15306 1 786 . 1 1 71 71 TRP CE3 C 13 119.970 0.1 . 1 . . . . 80 TRP CE3 . 15306 1 787 . 1 1 71 71 TRP CH2 C 13 113.449 0.1 . 1 . . . . 80 TRP CH2 . 15306 1 788 . 1 1 71 71 TRP CZ2 C 13 121.089 0.1 . 1 . . . . 80 TRP CZ2 . 15306 1 789 . 1 1 71 71 TRP CZ3 C 13 123.887 0.1 . 1 . . . . 80 TRP CZ3 . 15306 1 790 . 1 1 71 71 TRP N N 15 124.474 0.1 . 1 . . . . 80 TRP N . 15306 1 791 . 1 1 71 71 TRP NE1 N 15 127.635 0.1 . 1 . . . . 80 TRP NE1 . 15306 1 792 . 1 1 72 72 ASN H H 1 9.891 0.01 . 1 . . . . 81 ASN HN . 15306 1 793 . 1 1 72 72 ASN HA H 1 4.789 0.006 . 1 . . . . 81 ASN HA . 15306 1 794 . 1 1 72 72 ASN HB2 H 1 3.360 0.013 . 2 . . . . 81 ASN HB2 . 15306 1 795 . 1 1 72 72 ASN HB3 H 1 2.876 0.005 . 2 . . . . 81 ASN HB3 . 15306 1 796 . 1 1 72 72 ASN HD21 H 1 9.026 0.01 . 2 . . . . 81 ASN HD21 . 15306 1 797 . 1 1 72 72 ASN HD22 H 1 7.994 0.01 . 2 . . . . 81 ASN HD22 . 15306 1 798 . 1 1 72 72 ASN CA C 13 51.049 0.1 . 1 . . . . 81 ASN CA . 15306 1 799 . 1 1 72 72 ASN CB C 13 39.091 0.048 . 1 . . . . 81 ASN CB . 15306 1 800 . 1 1 72 72 ASN N N 15 116.435 0.1 . 1 . . . . 81 ASN N . 15306 1 801 . 1 1 72 72 ASN ND2 N 15 117.887 0.1 . 1 . . . . 81 ASN ND2 . 15306 1 802 . 1 1 73 73 HIS H H 1 9.967 0.01 . 1 . . . . 82 HIS HN . 15306 1 803 . 1 1 73 73 HIS HA H 1 4.499 0.01 . 1 . . . . 82 HIS HA . 15306 1 804 . 1 1 73 73 HIS HB2 H 1 3.808 0.01 . 2 . . . . 82 HIS HB2 . 15306 1 805 . 1 1 73 73 HIS HB3 H 1 3.668 0.01 . 2 . . . . 82 HIS HB3 . 15306 1 806 . 1 1 73 73 HIS CA C 13 60.788 0.1 . 1 . . . . 82 HIS CA . 15306 1 807 . 1 1 73 73 HIS CB C 13 32.327 0.1 . 1 . . . . 82 HIS CB . 15306 1 808 . 1 1 73 73 HIS N N 15 127.963 0.1 . 1 . . . . 82 HIS N . 15306 1 809 . 1 1 74 74 LYS H H 1 7.764 0.01 . 1 . . . . 83 LYS HN . 15306 1 810 . 1 1 74 74 LYS HA H 1 4.297 0.01 . 1 . . . . 83 LYS HA . 15306 1 811 . 1 1 74 74 LYS HB2 H 1 2.011 0.008 . 2 . . . . 83 LYS HB2 . 15306 1 812 . 1 1 74 74 LYS HB3 H 1 1.863 0.005 . 2 . . . . 83 LYS HB3 . 15306 1 813 . 1 1 74 74 LYS HD2 H 1 1.888 0.01 . 2 . . . . 83 LYS HD2 . 15306 1 814 . 1 1 74 74 LYS HE2 H 1 3.033 0.005 . 2 . . . . 83 LYS HE2 . 15306 1 815 . 1 1 74 74 LYS HG2 H 1 1.756 0.005 . 2 . . . . 83 LYS HG2 . 15306 1 816 . 1 1 74 74 LYS HG3 H 1 1.689 0.005 . 2 . . . . 83 LYS HG3 . 15306 1 817 . 1 1 74 74 LYS CA C 13 59.232 0.1 . 1 . . . . 83 LYS CA . 15306 1 818 . 1 1 74 74 LYS CB C 13 33.640 0.1 . 1 . . . . 83 LYS CB . 15306 1 819 . 1 1 74 74 LYS CD C 13 30.096 0.1 . 1 . . . . 83 LYS CD . 15306 1 820 . 1 1 74 74 LYS CE C 13 42.779 0.1 . 1 . . . . 83 LYS CE . 15306 1 821 . 1 1 74 74 LYS CG C 13 28.044 0.1 . 1 . . . . 83 LYS CG . 15306 1 822 . 1 1 74 74 LYS N N 15 112.592 0.1 . 1 . . . . 83 LYS N . 15306 1 823 . 1 1 75 75 LYS H H 1 7.626 0.01 . 1 . . . . 84 LYS HN . 15306 1 824 . 1 1 75 75 LYS HA H 1 4.607 0.005 . 1 . . . . 84 LYS HA . 15306 1 825 . 1 1 75 75 LYS HB2 H 1 2.151 0.005 . 2 . . . . 84 LYS HB2 . 15306 1 826 . 1 1 75 75 LYS HB3 H 1 1.542 0.01 . 2 . . . . 84 LYS HB3 . 15306 1 827 . 1 1 75 75 LYS HD2 H 1 1.689 0.007 . 2 . . . . 84 LYS HD2 . 15306 1 828 . 1 1 75 75 LYS HE2 H 1 3.167 0.007 . 2 . . . . 84 LYS HE2 . 15306 1 829 . 1 1 75 75 LYS HE3 H 1 2.952 0.005 . 2 . . . . 84 LYS HE3 . 15306 1 830 . 1 1 75 75 LYS HG2 H 1 1.484 0.01 . 2 . . . . 84 LYS HG2 . 15306 1 831 . 1 1 75 75 LYS HG3 H 1 1.371 0.01 . 2 . . . . 84 LYS HG3 . 15306 1 832 . 1 1 75 75 LYS CA C 13 55.828 0.1 . 1 . . . . 84 LYS CA . 15306 1 833 . 1 1 75 75 LYS CB C 13 36.064 0.1 . 1 . . . . 84 LYS CB . 15306 1 834 . 1 1 75 75 LYS CD C 13 29.350 0.1 . 1 . . . . 84 LYS CD . 15306 1 835 . 1 1 75 75 LYS CE C 13 42.779 0.1 . 1 . . . . 84 LYS CE . 15306 1 836 . 1 1 75 75 LYS CG C 13 26.552 0.1 . 1 . . . . 84 LYS CG . 15306 1 837 . 1 1 75 75 LYS N N 15 114.560 0.1 . 1 . . . . 84 LYS N . 15306 1 838 . 1 1 76 76 ILE H H 1 7.021 0.005 . 1 . . . . 85 ILE HN . 15306 1 839 . 1 1 76 76 ILE HA H 1 4.132 0.007 . 1 . . . . 85 ILE HA . 15306 1 840 . 1 1 76 76 ILE HB H 1 1.916 0.005 . 1 . . . . 85 ILE HB . 15306 1 841 . 1 1 76 76 ILE HD11 H 1 0.728 0.005 . 2 . . . . 85 ILE QD1 . 15306 1 842 . 1 1 76 76 ILE HD12 H 1 0.728 0.005 . 2 . . . . 85 ILE QD1 . 15306 1 843 . 1 1 76 76 ILE HD13 H 1 0.728 0.005 . 2 . . . . 85 ILE QD1 . 15306 1 844 . 1 1 76 76 ILE HG12 H 1 1.267 0.005 . 2 . . . . 85 ILE HG12 . 15306 1 845 . 1 1 76 76 ILE HG13 H 1 1.156 0.011 . 2 . . . . 85 ILE HG13 . 15306 1 846 . 1 1 76 76 ILE HG21 H 1 1.093 0.007 . 2 . . . . 85 ILE QG2 . 15306 1 847 . 1 1 76 76 ILE HG22 H 1 1.093 0.007 . 2 . . . . 85 ILE QG2 . 15306 1 848 . 1 1 76 76 ILE HG23 H 1 1.093 0.007 . 2 . . . . 85 ILE QG2 . 15306 1 849 . 1 1 76 76 ILE CA C 13 64.013 0.1 . 1 . . . . 85 ILE CA . 15306 1 850 . 1 1 76 76 ILE CB C 13 39.146 0.1 . 1 . . . . 85 ILE CB . 15306 1 851 . 1 1 76 76 ILE CD1 C 13 14.906 0.1 . 1 . . . . 85 ILE CD1 . 15306 1 852 . 1 1 76 76 ILE CG1 C 13 26.653 0.1 . 1 . . . . 85 ILE CG1 . 15306 1 853 . 1 1 76 76 ILE CG2 C 13 18.912 0.1 . 1 . . . . 85 ILE CG2 . 15306 1 854 . 1 1 76 76 ILE N N 15 113.811 0.1 . 1 . . . . 85 ILE N . 15306 1 855 . 1 1 77 77 HIS H H 1 8.335 0.01 . 1 . . . . 86 HIS HN . 15306 1 856 . 1 1 77 77 HIS HA H 1 4.612 0.008 . 1 . . . . 86 HIS HA . 15306 1 857 . 1 1 77 77 HIS HB2 H 1 3.129 0.005 . 2 . . . . 86 HIS HB2 . 15306 1 858 . 1 1 77 77 HIS HD2 H 1 7.029 0.007 . 2 . . . . 86 HIS HD2 . 15306 1 859 . 1 1 77 77 HIS CA C 13 56.815 0.1 . 1 . . . . 86 HIS CA . 15306 1 860 . 1 1 77 77 HIS CB C 13 30.461 0.1 . 1 . . . . 86 HIS CB . 15306 1 861 . 1 1 77 77 HIS CD2 C 13 118.478 0.1 . 1 . . . . 86 HIS CD2 . 15306 1 862 . 1 1 77 77 HIS N N 15 117.841 0.1 . 1 . . . . 86 HIS N . 15306 1 863 . 1 1 78 78 LYS H H 1 7.587 0.01 . 1 . . . . 87 LYS HN . 15306 1 864 . 1 1 78 78 LYS HA H 1 4.094 0.005 . 1 . . . . 87 LYS HA . 15306 1 865 . 1 1 78 78 LYS HB2 H 1 1.900 0.009 . 2 . . . . 87 LYS HB2 . 15306 1 866 . 1 1 78 78 LYS HB3 H 1 1.801 0.005 . 2 . . . . 87 LYS HB3 . 15306 1 867 . 1 1 78 78 LYS HD2 H 1 1.702 0.005 . 2 . . . . 87 LYS HD2 . 15306 1 868 . 1 1 78 78 LYS HE2 H 1 3.064 0.007 . 2 . . . . 87 LYS HE2 . 15306 1 869 . 1 1 78 78 LYS HG2 H 1 1.324 0.005 . 2 . . . . 87 LYS HG2 . 15306 1 870 . 1 1 78 78 LYS CA C 13 57.628 0.1 . 1 . . . . 87 LYS CA . 15306 1 871 . 1 1 78 78 LYS CB C 13 32.893 0.1 . 1 . . . . 87 LYS CB . 15306 1 872 . 1 1 78 78 LYS CD C 13 29.163 0.1 . 1 . . . . 87 LYS CD . 15306 1 873 . 1 1 78 78 LYS CE C 13 42.503 0.745 . 1 . . . . 87 LYS CE . 15306 1 874 . 1 1 78 78 LYS CG C 13 25.619 0.1 . 1 . . . . 87 LYS CG . 15306 1 875 . 1 1 78 78 LYS N N 15 120.652 0.1 . 1 . . . . 87 LYS N . 15306 1 876 . 1 1 79 79 LYS H H 1 7.585 0.01 . 1 . . . . 88 LYS HN . 15306 1 877 . 1 1 79 79 LYS HA H 1 4.304 0.01 . 1 . . . . 88 LYS HA . 15306 1 878 . 1 1 79 79 LYS HB2 H 1 1.940 0.015 . 2 . . . . 88 LYS HB2 . 15306 1 879 . 1 1 79 79 LYS HB3 H 1 1.603 0.01 . 2 . . . . 88 LYS HB3 . 15306 1 880 . 1 1 79 79 LYS HD2 H 1 1.713 0.005 . 2 . . . . 88 LYS HD2 . 15306 1 881 . 1 1 79 79 LYS HE2 H 1 3.049 0.006 . 2 . . . . 88 LYS HE2 . 15306 1 882 . 1 1 79 79 LYS HG2 H 1 1.427 0.008 . 2 . . . . 88 LYS HG2 . 15306 1 883 . 1 1 79 79 LYS CA C 13 56.467 0.1 . 1 . . . . 88 LYS CA . 15306 1 884 . 1 1 79 79 LYS CB C 13 34.013 0.1 . 1 . . . . 88 LYS CB . 15306 1 885 . 1 1 79 79 LYS CD C 13 29.723 0.1 . 1 . . . . 88 LYS CD . 15306 1 886 . 1 1 79 79 LYS CE C 13 42.503 0.213 . 1 . . . . 88 LYS CE . 15306 1 887 . 1 1 79 79 LYS CG C 13 25.060 0.1 . 1 . . . . 88 LYS CG . 15306 1 888 . 1 1 79 79 LYS N N 15 115.872 0.1 . 1 . . . . 88 LYS N . 15306 1 889 . 1 1 80 80 GLN H H 1 8.625 0.01 . 1 . . . . 89 GLN HN . 15306 1 890 . 1 1 80 80 GLN HA H 1 4.192 0.01 . 1 . . . . 89 GLN HA . 15306 1 891 . 1 1 80 80 GLN HB2 H 1 2.105 0.005 . 2 . . . . 89 GLN HB2 . 15306 1 892 . 1 1 80 80 GLN HG2 H 1 2.406 0.005 . 2 . . . . 89 GLN HG2 . 15306 1 893 . 1 1 80 80 GLN CA C 13 57.590 0.1 . 1 . . . . 89 GLN CA . 15306 1 894 . 1 1 80 80 GLN CB C 13 28.331 0.128 . 1 . . . . 89 GLN CB . 15306 1 895 . 1 1 80 80 GLN CG C 13 34.108 0.129 . 1 . . . . 89 GLN CG . 15306 1 896 . 1 1 80 80 GLN N N 15 121.308 0.1 . 1 . . . . 89 GLN N . 15306 1 897 . 1 1 81 81 GLY H H 1 8.791 0.01 . 1 . . . . 90 GLY HN . 15306 1 898 . 1 1 81 81 GLY HA2 H 1 4.332 0.01 . 2 . . . . 90 GLY HA1 . 15306 1 899 . 1 1 81 81 GLY HA3 H 1 3.850 0.005 . 2 . . . . 90 GLY HA2 . 15306 1 900 . 1 1 81 81 GLY CA C 13 45.950 0.1 . 1 . . . . 90 GLY CA . 15306 1 901 . 1 1 81 81 GLY N N 15 112.984 0.1 . 1 . . . . 90 GLY N . 15306 1 902 . 1 1 82 82 ALA H H 1 7.951 0.01 . 1 . . . . 91 ALA HN . 15306 1 903 . 1 1 82 82 ALA HA H 1 4.485 0.005 . 1 . . . . 91 ALA HA . 15306 1 904 . 1 1 82 82 ALA HB1 H 1 1.595 0.005 . 2 . . . . 91 ALA QB . 15306 1 905 . 1 1 82 82 ALA HB2 H 1 1.595 0.005 . 2 . . . . 91 ALA QB . 15306 1 906 . 1 1 82 82 ALA HB3 H 1 1.595 0.005 . 2 . . . . 91 ALA QB . 15306 1 907 . 1 1 82 82 ALA CA C 13 53.404 0.1 . 1 . . . . 91 ALA CA . 15306 1 908 . 1 1 82 82 ALA CB C 13 20.762 0.1 . 1 . . . . 91 ALA CB . 15306 1 909 . 1 1 82 82 ALA N N 15 123.745 0.1 . 1 . . . . 91 ALA N . 15306 1 910 . 1 1 83 83 GLY H H 1 8.860 0.01 . 1 . . . . 92 GLY HN . 15306 1 911 . 1 1 83 83 GLY HA2 H 1 4.270 0.005 . 2 . . . . 92 GLY HA1 . 15306 1 912 . 1 1 83 83 GLY HA3 H 1 4.262 0.01 . 2 . . . . 92 GLY HA2 . 15306 1 913 . 1 1 83 83 GLY CA C 13 46.689 0.1 . 1 . . . . 92 GLY CA . 15306 1 914 . 1 1 83 83 GLY N N 15 105.564 0.1 . 1 . . . . 92 GLY N . 15306 1 915 . 1 1 84 84 PHE H H 1 8.113 0.01 . 1 . . . . 93 PHE HN . 15306 1 916 . 1 1 84 84 PHE HA H 1 3.440 0.005 . 1 . . . . 93 PHE HA . 15306 1 917 . 1 1 84 84 PHE HB2 H 1 2.902 0.01 . 2 . . . . 93 PHE HB2 . 15306 1 918 . 1 1 84 84 PHE HB3 H 1 2.822 0.011 . 2 . . . . 93 PHE HB3 . 15306 1 919 . 1 1 84 84 PHE HD1 H 1 6.321 0.008 . 3 . . . . 93 PHE QD . 15306 1 920 . 1 1 84 84 PHE HD2 H 1 6.321 0.008 . 3 . . . . 93 PHE QD . 15306 1 921 . 1 1 84 84 PHE HE1 H 1 6.973 0.005 . 3 . . . . 93 PHE QE . 15306 1 922 . 1 1 84 84 PHE HE2 H 1 6.973 0.005 . 3 . . . . 93 PHE QE . 15306 1 923 . 1 1 84 84 PHE HZ H 1 7.253 0.010 . 1 . . . . 93 PHE HZ . 15306 1 924 . 1 1 84 84 PHE CA C 13 59.932 0.1 . 1 . . . . 93 PHE CA . 15306 1 925 . 1 1 84 84 PHE CB C 13 39.141 0.015 . 1 . . . . 93 PHE CB . 15306 1 926 . 1 1 84 84 PHE CD1 C 13 130.788 0.1 . 3 . . . . 93 PHE CD1 . 15306 1 927 . 1 1 84 84 PHE CE1 C 13 129.856 0.1 . 3 . . . . 93 PHE CE1 . 15306 1 928 . 1 1 84 84 PHE CZ C 13 128.177 0.1 . 1 . . . . 93 PHE CZ . 15306 1 929 . 1 1 84 84 PHE N N 15 121.215 0.1 . 1 . . . . 93 PHE N . 15306 1 930 . 1 1 85 85 LEU H H 1 8.204 0.005 . 1 . . . . 94 LEU HN . 15306 1 931 . 1 1 85 85 LEU HA H 1 4.334 0.005 . 1 . . . . 94 LEU HA . 15306 1 932 . 1 1 85 85 LEU HB2 H 1 1.517 0.011 . 2 . . . . 94 LEU HB2 . 15306 1 933 . 1 1 85 85 LEU HB3 H 1 1.037 0.012 . 2 . . . . 94 LEU HB3 . 15306 1 934 . 1 1 85 85 LEU HD11 H 1 0.922 0.010 . 2 . . . . 94 LEU QD1 . 15306 1 935 . 1 1 85 85 LEU HD12 H 1 0.922 0.010 . 2 . . . . 94 LEU QD1 . 15306 1 936 . 1 1 85 85 LEU HD13 H 1 0.922 0.010 . 2 . . . . 94 LEU QD1 . 15306 1 937 . 1 1 85 85 LEU HG H 1 0.734 0.005 . 1 . . . . 94 LEU HG . 15306 1 938 . 1 1 85 85 LEU CA C 13 53.569 0.058 . 1 . . . . 94 LEU CA . 15306 1 939 . 1 1 85 85 LEU CB C 13 43.255 0.115 . 1 . . . . 94 LEU CB . 15306 1 940 . 1 1 85 85 LEU CD1 C 13 24.042 0.1 . 2 . . . . 94 LEU CD1 . 15306 1 941 . 1 1 85 85 LEU CG C 13 27.111 0.1 . 1 . . . . 94 LEU CG . 15306 1 942 . 1 1 85 85 LEU N N 15 125.432 0.1 . 1 . . . . 94 LEU N . 15306 1 943 . 1 1 86 86 GLY HA2 H 1 4.222 0.009 . 2 . . . . 95 GLY HA1 . 15306 1 944 . 1 1 86 86 GLY HA3 H 1 3.147 0.009 . 2 . . . . 95 GLY HA2 . 15306 1 945 . 1 1 86 86 GLY CA C 13 45.570 0.1 . 1 . . . . 95 GLY CA . 15306 1 946 . 1 1 87 87 CYS H H 1 9.230 0.007 . 1 . . . . 96 CYS HN . 15306 1 947 . 1 1 87 87 CYS HA H 1 5.838 0.008 . 1 . . . . 96 CYS HA . 15306 1 948 . 1 1 87 87 CYS HB2 H 1 2.906 0.006 . 2 . . . . 96 CYS HB2 . 15306 1 949 . 1 1 87 87 CYS CA C 13 55.882 0.1 . 1 . . . . 96 CYS CA . 15306 1 950 . 1 1 87 87 CYS CB C 13 33.259 0.1 . 1 . . . . 96 CYS CB . 15306 1 951 . 1 1 87 87 CYS N N 15 114.935 0.1 . 1 . . . . 96 CYS N . 15306 1 952 . 1 1 88 88 VAL H H 1 9.242 0.008 . 1 . . . . 97 VAL HN . 15306 1 953 . 1 1 88 88 VAL HA H 1 4.575 0.007 . 1 . . . . 97 VAL HA . 15306 1 954 . 1 1 88 88 VAL HB H 1 2.031 0.01 . 1 . . . . 97 VAL HB . 15306 1 955 . 1 1 88 88 VAL HG11 H 1 0.947 0.005 . 2 . . . . 97 VAL QG1 . 15306 1 956 . 1 1 88 88 VAL HG12 H 1 0.947 0.005 . 2 . . . . 97 VAL QG1 . 15306 1 957 . 1 1 88 88 VAL HG13 H 1 0.947 0.005 . 2 . . . . 97 VAL QG1 . 15306 1 958 . 1 1 88 88 VAL HG21 H 1 0.925 0.005 . 2 . . . . 97 VAL QG2 . 15306 1 959 . 1 1 88 88 VAL HG22 H 1 0.925 0.005 . 2 . . . . 97 VAL QG2 . 15306 1 960 . 1 1 88 88 VAL HG23 H 1 0.925 0.005 . 2 . . . . 97 VAL QG2 . 15306 1 961 . 1 1 88 88 VAL CA C 13 61.769 0.1 . 1 . . . . 97 VAL CA . 15306 1 962 . 1 1 88 88 VAL CB C 13 35.684 0.1 . 1 . . . . 97 VAL CB . 15306 1 963 . 1 1 88 88 VAL CG1 C 13 22.441 0.1 . 2 . . . . 97 VAL CG1 . 15306 1 964 . 1 1 88 88 VAL CG2 C 13 22.083 0.1 . 2 . . . . 97 VAL CG2 . 15306 1 965 . 1 1 88 88 VAL N N 15 115.966 0.1 . 1 . . . . 97 VAL N . 15306 1 966 . 1 1 89 89 ARG H H 1 8.665 0.005 . 1 . . . . 98 ARG HN . 15306 1 967 . 1 1 89 89 ARG HA H 1 5.166 0.009 . 1 . . . . 98 ARG HA . 15306 1 968 . 1 1 89 89 ARG HB2 H 1 1.773 0.01 . 2 . . . . 98 ARG HB2 . 15306 1 969 . 1 1 89 89 ARG HB3 H 1 1.685 0.005 . 2 . . . . 98 ARG HB3 . 15306 1 970 . 1 1 89 89 ARG HD2 H 1 3.206 0.008 . 2 . . . . 98 ARG HD2 . 15306 1 971 . 1 1 89 89 ARG HG2 H 1 1.692 0.01 . 2 . . . . 98 ARG HG2 . 15306 1 972 . 1 1 89 89 ARG HG3 H 1 1.535 0.005 . 2 . . . . 98 ARG HG3 . 15306 1 973 . 1 1 89 89 ARG CA C 13 54.929 0.1 . 1 . . . . 98 ARG CA . 15306 1 974 . 1 1 89 89 ARG CB C 13 31.961 0.1 . 1 . . . . 98 ARG CB . 15306 1 975 . 1 1 89 89 ARG CD C 13 43.727 0.1 . 1 . . . . 98 ARG CD . 15306 1 976 . 1 1 89 89 ARG CG C 13 28.417 0.1 . 1 . . . . 98 ARG CG . 15306 1 977 . 1 1 89 89 ARG N N 15 125.526 0.1 . 1 . . . . 98 ARG N . 15306 1 978 . 1 1 90 90 LEU H H 1 9.611 0.011 . 1 . . . . 99 LEU HN . 15306 1 979 . 1 1 90 90 LEU HA H 1 4.644 0.005 . 1 . . . . 99 LEU HA . 15306 1 980 . 1 1 90 90 LEU HB2 H 1 1.985 0.005 . 2 . . . . 99 LEU HB2 . 15306 1 981 . 1 1 90 90 LEU HB3 H 1 1.166 0.005 . 2 . . . . 99 LEU HB3 . 15306 1 982 . 1 1 90 90 LEU HD11 H 1 0.755 0.007 . 2 . . . . 99 LEU QD1 . 15306 1 983 . 1 1 90 90 LEU HD12 H 1 0.755 0.007 . 2 . . . . 99 LEU QD1 . 15306 1 984 . 1 1 90 90 LEU HD13 H 1 0.755 0.007 . 2 . . . . 99 LEU QD1 . 15306 1 985 . 1 1 90 90 LEU HD21 H 1 0.674 0.01 . 2 . . . . 99 LEU QD2 . 15306 1 986 . 1 1 90 90 LEU HD22 H 1 0.674 0.01 . 2 . . . . 99 LEU QD2 . 15306 1 987 . 1 1 90 90 LEU HD23 H 1 0.674 0.01 . 2 . . . . 99 LEU QD2 . 15306 1 988 . 1 1 90 90 LEU HG H 1 1.545 0.005 . 1 . . . . 99 LEU HG . 15306 1 989 . 1 1 90 90 LEU CA C 13 53.217 0.1 . 1 . . . . 99 LEU CA . 15306 1 990 . 1 1 90 90 LEU CB C 13 43.339 0.1 . 1 . . . . 99 LEU CB . 15306 1 991 . 1 1 90 90 LEU CD1 C 13 24.500 0.1 . 2 . . . . 99 LEU CD1 . 15306 1 992 . 1 1 90 90 LEU CD2 C 13 25.992 0.1 . 2 . . . . 99 LEU CD2 . 15306 1 993 . 1 1 90 90 LEU CG C 13 27.111 0.1 . 1 . . . . 99 LEU CG . 15306 1 994 . 1 1 90 90 LEU N N 15 127.119 0.1 . 1 . . . . 99 LEU N . 15306 1 995 . 1 1 91 91 LEU H H 1 7.953 0.01 . 1 . . . . 100 LEU HN . 15306 1 996 . 1 1 91 91 LEU HA H 1 4.540 0.007 . 1 . . . . 100 LEU HA . 15306 1 997 . 1 1 91 91 LEU HB2 H 1 1.894 0.008 . 2 . . . . 100 LEU HB2 . 15306 1 998 . 1 1 91 91 LEU HD11 H 1 1.032 0.013 . 2 . . . . 100 LEU QD1 . 15306 1 999 . 1 1 91 91 LEU HD12 H 1 1.032 0.013 . 2 . . . . 100 LEU QD1 . 15306 1 1000 . 1 1 91 91 LEU HD13 H 1 1.032 0.013 . 2 . . . . 100 LEU QD1 . 15306 1 1001 . 1 1 91 91 LEU HD21 H 1 0.953 0.007 . 2 . . . . 100 LEU QD2 . 15306 1 1002 . 1 1 91 91 LEU HD22 H 1 0.953 0.007 . 2 . . . . 100 LEU QD2 . 15306 1 1003 . 1 1 91 91 LEU HD23 H 1 0.953 0.007 . 2 . . . . 100 LEU QD2 . 15306 1 1004 . 1 1 91 91 LEU HG H 1 1.849 0.008 . 1 . . . . 100 LEU HG . 15306 1 1005 . 1 1 91 91 LEU CA C 13 54.523 0.1 . 1 . . . . 100 LEU CA . 15306 1 1006 . 1 1 91 91 LEU CB C 13 42.593 0.1 . 1 . . . . 100 LEU CB . 15306 1 1007 . 1 1 91 91 LEU CD1 C 13 25.806 0.1 . 1 . . . . 100 LEU CD1 . 15306 1 1008 . 1 1 91 91 LEU CD2 C 13 23.388 0.1 . 1 . . . . 100 LEU CD2 . 15306 1 1009 . 1 1 91 91 LEU CG C 13 28.603 0.1 . 1 . . . . 100 LEU CG . 15306 1 1010 . 1 1 91 91 LEU N N 15 122.527 0.1 . 1 . . . . 100 LEU N . 15306 1 1011 . 1 1 92 92 SER H H 1 8.754 0.01 . 1 . . . . 101 SER HN . 15306 1 1012 . 1 1 92 92 SER HA H 1 3.950 0.009 . 1 . . . . 101 SER HA . 15306 1 1013 . 1 1 92 92 SER CA C 13 63.171 0.1 . 1 . . . . 101 SER CA . 15306 1 1014 . 1 1 92 92 SER N N 15 115.966 0.1 . 1 . . . . 101 SER N . 15306 1 1015 . 1 1 93 93 ASN H H 1 7.765 0.01 . 1 . . . . 102 ASN HN . 15306 1 1016 . 1 1 93 93 ASN HA H 1 4.500 0.005 . 1 . . . . 102 ASN HA . 15306 1 1017 . 1 1 93 93 ASN HB2 H 1 2.898 0.01 . 2 . . . . 102 ASN HB2 . 15306 1 1018 . 1 1 93 93 ASN HD21 H 1 7.592 0.01 . 2 . . . . 102 ASN HD21 . 15306 1 1019 . 1 1 93 93 ASN HD22 H 1 7.005 0.01 . 2 . . . . 102 ASN HD22 . 15306 1 1020 . 1 1 93 93 ASN CA C 13 56.487 0.1 . 1 . . . . 102 ASN CA . 15306 1 1021 . 1 1 93 93 ASN CB C 13 37.514 0.1 . 1 . . . . 102 ASN CB . 15306 1 1022 . 1 1 93 93 ASN N N 15 116.950 0.1 . 1 . . . . 102 ASN N . 15306 1 1023 . 1 1 93 93 ASN ND2 N 15 113.576 0.1 . 1 . . . . 102 ASN ND2 . 15306 1 1024 . 1 1 94 94 ALA H H 1 7.345 0.01 . 1 . . . . 103 ALA HN . 15306 1 1025 . 1 1 94 94 ALA HA H 1 4.230 0.005 . 1 . . . . 103 ALA HA . 15306 1 1026 . 1 1 94 94 ALA HB1 H 1 1.614 0.006 . 2 . . . . 103 ALA QB . 15306 1 1027 . 1 1 94 94 ALA HB2 H 1 1.614 0.006 . 2 . . . . 103 ALA QB . 15306 1 1028 . 1 1 94 94 ALA HB3 H 1 1.614 0.006 . 2 . . . . 103 ALA QB . 15306 1 1029 . 1 1 94 94 ALA CA C 13 54.843 0.1 . 1 . . . . 103 ALA CA . 15306 1 1030 . 1 1 94 94 ALA CB C 13 19.643 0.1 . 1 . . . . 103 ALA CB . 15306 1 1031 . 1 1 94 94 ALA N N 15 124.495 0.1 . 1 . . . . 103 ALA N . 15306 1 1032 . 1 1 95 95 ILE H H 1 8.322 0.01 . 1 . . . . 104 ILE HN . 15306 1 1033 . 1 1 95 95 ILE HA H 1 3.280 0.005 . 1 . . . . 104 ILE HA . 15306 1 1034 . 1 1 95 95 ILE HB H 1 1.967 0.01 . 1 . . . . 104 ILE HB . 15306 1 1035 . 1 1 95 95 ILE HD11 H 1 0.788 0.005 . 2 . . . . 104 ILE QD1 . 15306 1 1036 . 1 1 95 95 ILE HD12 H 1 0.788 0.005 . 2 . . . . 104 ILE QD1 . 15306 1 1037 . 1 1 95 95 ILE HD13 H 1 0.788 0.005 . 2 . . . . 104 ILE QD1 . 15306 1 1038 . 1 1 95 95 ILE HG12 H 1 1.665 0.005 . 2 . . . . 104 ILE HG12 . 15306 1 1039 . 1 1 95 95 ILE HG13 H 1 0.629 0.005 . 2 . . . . 104 ILE HG13 . 15306 1 1040 . 1 1 95 95 ILE HG21 H 1 0.749 0.010 . 2 . . . . 104 ILE QG2 . 15306 1 1041 . 1 1 95 95 ILE HG22 H 1 0.749 0.010 . 2 . . . . 104 ILE QG2 . 15306 1 1042 . 1 1 95 95 ILE HG23 H 1 0.749 0.010 . 2 . . . . 104 ILE QG2 . 15306 1 1043 . 1 1 95 95 ILE CA C 13 66.184 0.1 . 1 . . . . 104 ILE CA . 15306 1 1044 . 1 1 95 95 ILE CB C 13 37.922 0.1 . 1 . . . . 104 ILE CB . 15306 1 1045 . 1 1 95 95 ILE CD1 C 13 14.249 0.1 . 1 . . . . 104 ILE CD1 . 15306 1 1046 . 1 1 95 95 ILE CG1 C 13 30.842 0.1 . 1 . . . . 104 ILE CG1 . 15306 1 1047 . 1 1 95 95 ILE CG2 C 13 17.979 0.1 . 1 . . . . 104 ILE CG2 . 15306 1 1048 . 1 1 95 95 ILE N N 15 119.310 0.1 . 1 . . . . 104 ILE N . 15306 1 1049 . 1 1 96 96 ASN H H 1 7.815 0.01 . 1 . . . . 105 ASN HN . 15306 1 1050 . 1 1 96 96 ASN HA H 1 4.332 0.006 . 1 . . . . 105 ASN HA . 15306 1 1051 . 1 1 96 96 ASN HB2 H 1 2.838 0.005 . 2 . . . . 105 ASN HB2 . 15306 1 1052 . 1 1 96 96 ASN CA C 13 56.487 0.1 . 1 . . . . 105 ASN CA . 15306 1 1053 . 1 1 96 96 ASN CB C 13 38.855 0.1 . 1 . . . . 105 ASN CB . 15306 1 1054 . 1 1 96 96 ASN N N 15 114.748 0.1 . 1 . . . . 105 ASN N . 15306 1 1055 . 1 1 97 97 ARG H H 1 7.595 0.01 . 1 . . . . 106 ARG HN . 15306 1 1056 . 1 1 97 97 ARG HA H 1 4.257 0.01 . 1 . . . . 106 ARG HA . 15306 1 1057 . 1 1 97 97 ARG HB2 H 1 1.960 0.006 . 2 . . . . 106 ARG HB2 . 15306 1 1058 . 1 1 97 97 ARG HD2 H 1 3.278 0.005 . 2 . . . . 106 ARG HD2 . 15306 1 1059 . 1 1 97 97 ARG HG2 H 1 1.784 0.006 . 2 . . . . 106 ARG HG2 . 15306 1 1060 . 1 1 97 97 ARG HG3 H 1 1.697 0.005 . 2 . . . . 106 ARG HG3 . 15306 1 1061 . 1 1 97 97 ARG CA C 13 58.294 0.1 . 1 . . . . 106 ARG CA . 15306 1 1062 . 1 1 97 97 ARG CB C 13 31.401 0.1 . 1 . . . . 106 ARG CB . 15306 1 1063 . 1 1 97 97 ARG CD C 13 43.391 0.1 . 1 . . . . 106 ARG CD . 15306 1 1064 . 1 1 97 97 ARG CG C 13 28.044 0.1 . 1 . . . . 106 ARG CG . 15306 1 1065 . 1 1 97 97 ARG N N 15 117.934 0.1 . 1 . . . . 106 ARG N . 15306 1 1066 . 1 1 98 98 LEU H H 1 8.179 0.01 . 1 . . . . 107 LEU HN . 15306 1 1067 . 1 1 98 98 LEU HA H 1 4.288 0.010 . 1 . . . . 107 LEU HA . 15306 1 1068 . 1 1 98 98 LEU HB2 H 1 1.797 0.005 . 2 . . . . 107 LEU HB2 . 15306 1 1069 . 1 1 98 98 LEU HB3 H 1 1.417 0.005 . 2 . . . . 107 LEU HB3 . 15306 1 1070 . 1 1 98 98 LEU HD11 H 1 0.778 0.008 . 2 . . . . 107 LEU QD1 . 15306 1 1071 . 1 1 98 98 LEU HD12 H 1 0.778 0.008 . 2 . . . . 107 LEU QD1 . 15306 1 1072 . 1 1 98 98 LEU HD13 H 1 0.778 0.008 . 2 . . . . 107 LEU QD1 . 15306 1 1073 . 1 1 98 98 LEU HD21 H 1 0.795 0.005 . 2 . . . . 107 LEU QD2 . 15306 1 1074 . 1 1 98 98 LEU HD22 H 1 0.795 0.005 . 2 . . . . 107 LEU QD2 . 15306 1 1075 . 1 1 98 98 LEU HD23 H 1 0.795 0.005 . 2 . . . . 107 LEU QD2 . 15306 1 1076 . 1 1 98 98 LEU HG H 1 1.882 0.01 . 1 . . . . 107 LEU HG . 15306 1 1077 . 1 1 98 98 LEU CA C 13 55.735 0.1 . 1 . . . . 107 LEU CA . 15306 1 1078 . 1 1 98 98 LEU CB C 13 44.264 0.1 . 1 . . . . 107 LEU CB . 15306 1 1079 . 1 1 98 98 LEU CD1 C 13 25.806 0.1 . 2 . . . . 107 LEU CD1 . 15306 1 1080 . 1 1 98 98 LEU CD2 C 13 23.856 0.1 . 2 . . . . 107 LEU CD2 . 15306 1 1081 . 1 1 98 98 LEU CG C 13 27.671 0.1 . 1 . . . . 107 LEU CG . 15306 1 1082 . 1 1 98 98 LEU N N 15 116.341 0.1 . 1 . . . . 107 LEU N . 15306 1 1083 . 1 1 99 99 LYS H H 1 8.058 0.01 . 1 . . . . 108 LYS HN . 15306 1 1084 . 1 1 99 99 LYS HA H 1 4.078 0.005 . 1 . . . . 108 LYS HA . 15306 1 1085 . 1 1 99 99 LYS HB2 H 1 1.778 0.005 . 2 . . . . 108 LYS HB2 . 15306 1 1086 . 1 1 99 99 LYS HB3 H 1 1.641 0.01 . 2 . . . . 108 LYS HB3 . 15306 1 1087 . 1 1 99 99 LYS HD2 H 1 1.586 0.005 . 2 . . . . 108 LYS HD2 . 15306 1 1088 . 1 1 99 99 LYS HE2 H 1 3.041 0.012 . 2 . . . . 108 LYS HE2 . 15306 1 1089 . 1 1 99 99 LYS HG2 H 1 1.561 0.009 . 2 . . . . 108 LYS HG2 . 15306 1 1090 . 1 1 99 99 LYS HG3 H 1 1.356 0.005 . 2 . . . . 108 LYS HG3 . 15306 1 1091 . 1 1 99 99 LYS CA C 13 58.256 0.1 . 1 . . . . 108 LYS CA . 15306 1 1092 . 1 1 99 99 LYS CB C 13 32.520 0.1 . 1 . . . . 108 LYS CB . 15306 1 1093 . 1 1 99 99 LYS CD C 13 30.655 0.1 . 1 . . . . 108 LYS CD . 15306 1 1094 . 1 1 99 99 LYS CE C 13 42.316 0.762 . 1 . . . . 108 LYS CE . 15306 1 1095 . 1 1 99 99 LYS CG C 13 24.313 0.1 . 1 . . . . 108 LYS CG . 15306 1 1096 . 1 1 99 99 LYS N N 15 123.558 0.1 . 1 . . . . 108 LYS N . 15306 1 1097 . 1 1 100 100 ASP H H 1 9.305 0.01 . 1 . . . . 109 ASP HN . 15306 1 1098 . 1 1 100 100 ASP HA H 1 4.672 0.006 . 1 . . . . 109 ASP HA . 15306 1 1099 . 1 1 100 100 ASP HB2 H 1 3.023 0.01 . 2 . . . . 109 ASP HB2 . 15306 1 1100 . 1 1 100 100 ASP HB3 H 1 3.029 0.01 . 2 . . . . 109 ASP HB3 . 15306 1 1101 . 1 1 100 100 ASP CA C 13 57.047 0.1 . 1 . . . . 109 ASP CA . 15306 1 1102 . 1 1 100 100 ASP CB C 13 39.041 0.1 . 1 . . . . 109 ASP CB . 15306 1 1103 . 1 1 100 100 ASP N N 15 115.779 0.1 . 1 . . . . 109 ASP N . 15306 1 1104 . 1 1 101 101 THR H H 1 7.546 0.01 . 1 . . . . 110 THR HN . 15306 1 1105 . 1 1 101 101 THR HA H 1 4.675 0.005 . 1 . . . . 110 THR HA . 15306 1 1106 . 1 1 101 101 THR HB H 1 4.490 0.01 . 1 . . . . 110 THR HB . 15306 1 1107 . 1 1 101 101 THR HG21 H 1 1.226 0.01 . 2 . . . . 110 THR QG2 . 15306 1 1108 . 1 1 101 101 THR HG22 H 1 1.226 0.01 . 2 . . . . 110 THR QG2 . 15306 1 1109 . 1 1 101 101 THR HG23 H 1 1.226 0.01 . 2 . . . . 110 THR QG2 . 15306 1 1110 . 1 1 101 101 THR CA C 13 61.895 0.1 . 1 . . . . 110 THR CA . 15306 1 1111 . 1 1 101 101 THR CB C 13 70.432 0.1 . 1 . . . . 110 THR CB . 15306 1 1112 . 1 1 101 101 THR CG2 C 13 21.322 0.1 . 1 . . . . 110 THR CG2 . 15306 1 1113 . 1 1 101 101 THR N N 15 129.087 0.1 . 1 . . . . 110 THR N . 15306 1 1114 . 1 1 102 102 GLY H H 1 8.921 0.01 . 1 . . . . 111 GLY HN . 15306 1 1115 . 1 1 102 102 GLY HA2 H 1 4.337 0.014 . 2 . . . . 111 GLY HA1 . 15306 1 1116 . 1 1 102 102 GLY HA3 H 1 3.563 0.011 . 2 . . . . 111 GLY HA2 . 15306 1 1117 . 1 1 102 102 GLY CA C 13 44.062 0.1 . 1 . . . . 111 GLY CA . 15306 1 1118 . 1 1 102 102 GLY N N 15 112.780 0.1 . 1 . . . . 111 GLY N . 15306 1 1119 . 1 1 103 103 TYR H H 1 8.255 0.01 . 1 . . . . 112 TYR HN . 15306 1 1120 . 1 1 103 103 TYR HA H 1 4.574 0.008 . 1 . . . . 112 TYR HA . 15306 1 1121 . 1 1 103 103 TYR HB2 H 1 2.781 0.01 . 2 . . . . 112 TYR HB2 . 15306 1 1122 . 1 1 103 103 TYR HB3 H 1 2.710 0.01 . 2 . . . . 112 TYR HB3 . 15306 1 1123 . 1 1 103 103 TYR HD1 H 1 7.002 0.005 . 3 . . . . 112 TYR QD . 15306 1 1124 . 1 1 103 103 TYR HD2 H 1 7.002 0.005 . 3 . . . . 112 TYR QD . 15306 1 1125 . 1 1 103 103 TYR HE1 H 1 6.748 0.011 . 3 . . . . 112 TYR QE . 15306 1 1126 . 1 1 103 103 TYR HE2 H 1 6.748 0.011 . 3 . . . . 112 TYR QE . 15306 1 1127 . 1 1 103 103 TYR CA C 13 59.745 0.1 . 1 . . . . 112 TYR CA . 15306 1 1128 . 1 1 103 103 TYR CB C 13 38.295 0.1 . 1 . . . . 112 TYR CB . 15306 1 1129 . 1 1 103 103 TYR CD1 C 13 131.446 0.064 . 3 . . . . 112 TYR CD1 . 15306 1 1130 . 1 1 103 103 TYR CE1 C 13 118.112 0.1 . 3 . . . . 112 TYR CE1 . 15306 1 1131 . 1 1 103 103 TYR N N 15 117.653 0.1 . 1 . . . . 112 TYR N . 15306 1 1132 . 1 1 104 104 GLN H H 1 9.435 0.008 . 1 . . . . 113 GLN HN . 15306 1 1133 . 1 1 104 104 GLN HA H 1 4.659 0.005 . 1 . . . . 113 GLN HA . 15306 1 1134 . 1 1 104 104 GLN HB2 H 1 2.112 0.005 . 2 . . . . 113 GLN HB2 . 15306 1 1135 . 1 1 104 104 GLN HB3 H 1 1.627 0.012 . 2 . . . . 113 GLN HB3 . 15306 1 1136 . 1 1 104 104 GLN HE21 H 1 7.028 0.01 . 2 . . . . 113 GLN HE21 . 15306 1 1137 . 1 1 104 104 GLN HE22 H 1 6.774 0.01 . 2 . . . . 113 GLN HE22 . 15306 1 1138 . 1 1 104 104 GLN HG2 H 1 2.661 0.006 . 2 . . . . 113 GLN HG2 . 15306 1 1139 . 1 1 104 104 GLN HG3 H 1 2.268 0.005 . 2 . . . . 113 GLN HG3 . 15306 1 1140 . 1 1 104 104 GLN CA C 13 53.852 0.1 . 1 . . . . 113 GLN CA . 15306 1 1141 . 1 1 104 104 GLN CB C 13 31.128 0.696 . 1 . . . . 113 GLN CB . 15306 1 1142 . 1 1 104 104 GLN CG C 13 32.147 0.1 . 1 . . . . 113 GLN CG . 15306 1 1143 . 1 1 104 104 GLN N N 15 121.964 0.1 . 1 . . . . 113 GLN N . 15306 1 1144 . 1 1 104 104 GLN NE2 N 15 112.264 0.1 . 1 . . . . 113 GLN NE2 . 15306 1 1145 . 1 1 105 105 ARG H H 1 8.670 0.01 . 1 . . . . 114 ARG HN . 15306 1 1146 . 1 1 105 105 ARG HA H 1 4.838 0.006 . 1 . . . . 114 ARG HA . 15306 1 1147 . 1 1 105 105 ARG HB2 H 1 1.757 0.01 . 2 . . . . 114 ARG HB2 . 15306 1 1148 . 1 1 105 105 ARG HB3 H 1 1.625 0.008 . 2 . . . . 114 ARG HB3 . 15306 1 1149 . 1 1 105 105 ARG HD2 H 1 3.156 0.005 . 2 . . . . 114 ARG HD2 . 15306 1 1150 . 1 1 105 105 ARG HG2 H 1 1.403 0.008 . 2 . . . . 114 ARG HG2 . 15306 1 1151 . 1 1 105 105 ARG CA C 13 55.090 0.1 . 1 . . . . 114 ARG CA . 15306 1 1152 . 1 1 105 105 ARG CB C 13 31.401 0.1 . 1 . . . . 114 ARG CB . 15306 1 1153 . 1 1 105 105 ARG CD C 13 43.727 0.1 . 1 . . . . 114 ARG CD . 15306 1 1154 . 1 1 105 105 ARG CG C 13 28.044 0.1 . 1 . . . . 114 ARG CG . 15306 1 1155 . 1 1 105 105 ARG N N 15 122.246 0.1 . 1 . . . . 114 ARG N . 15306 1 1156 . 1 1 106 106 LEU H H 1 9.269 0.011 . 1 . . . . 115 LEU HN . 15306 1 1157 . 1 1 106 106 LEU HA H 1 4.843 0.01 . 1 . . . . 115 LEU HA . 15306 1 1158 . 1 1 106 106 LEU HB2 H 1 1.754 0.01 . 2 . . . . 115 LEU HB2 . 15306 1 1159 . 1 1 106 106 LEU HB3 H 1 1.486 0.01 . 2 . . . . 115 LEU HB3 . 15306 1 1160 . 1 1 106 106 LEU HD11 H 1 0.901 0.005 . 2 . . . . 115 LEU QD1 . 15306 1 1161 . 1 1 106 106 LEU HD12 H 1 0.901 0.005 . 2 . . . . 115 LEU QD1 . 15306 1 1162 . 1 1 106 106 LEU HD13 H 1 0.901 0.005 . 2 . . . . 115 LEU QD1 . 15306 1 1163 . 1 1 106 106 LEU CA C 13 53.317 0.1 . 1 . . . . 115 LEU CA . 15306 1 1164 . 1 1 106 106 LEU CB C 13 44.570 0.062 . 1 . . . . 115 LEU CB . 15306 1 1165 . 1 1 106 106 LEU CD1 C 13 23.761 0.1 . 2 . . . . 115 LEU CD1 . 15306 1 1166 . 1 1 106 106 LEU N N 15 126.088 0.1 . 1 . . . . 115 LEU N . 15306 1 1167 . 1 1 107 107 ASP H H 1 8.582 0.01 . 1 . . . . 116 ASP HN . 15306 1 1168 . 1 1 107 107 ASP HA H 1 4.748 0.006 . 1 . . . . 116 ASP HA . 15306 1 1169 . 1 1 107 107 ASP HB2 H 1 2.714 0.005 . 2 . . . . 116 ASP HB2 . 15306 1 1170 . 1 1 107 107 ASP HB3 H 1 2.548 0.005 . 2 . . . . 116 ASP HB3 . 15306 1 1171 . 1 1 107 107 ASP CA C 13 55.402 0.1 . 1 . . . . 116 ASP CA . 15306 1 1172 . 1 1 107 107 ASP CB C 13 41.280 0.1 . 1 . . . . 116 ASP CB . 15306 1 1173 . 1 1 107 107 ASP N N 15 122.714 0.1 . 1 . . . . 116 ASP N . 15306 1 1174 . 1 1 108 108 LEU H H 1 8.067 0.005 . 1 . . . . 117 LEU HN . 15306 1 1175 . 1 1 108 108 LEU HA H 1 4.195 0.01 . 1 . . . . 117 LEU HA . 15306 1 1176 . 1 1 108 108 LEU HB2 H 1 1.505 0.007 . 2 . . . . 117 LEU HB2 . 15306 1 1177 . 1 1 108 108 LEU HB3 H 1 0.922 0.005 . 2 . . . . 117 LEU HB3 . 15306 1 1178 . 1 1 108 108 LEU HD11 H 1 0.697 0.005 . 2 . . . . 117 LEU QD1 . 15306 1 1179 . 1 1 108 108 LEU HD12 H 1 0.697 0.005 . 2 . . . . 117 LEU QD1 . 15306 1 1180 . 1 1 108 108 LEU HD13 H 1 0.697 0.005 . 2 . . . . 117 LEU QD1 . 15306 1 1181 . 1 1 108 108 LEU HD21 H 1 0.509 0.007 . 2 . . . . 117 LEU QD2 . 15306 1 1182 . 1 1 108 108 LEU HD22 H 1 0.509 0.007 . 2 . . . . 117 LEU QD2 . 15306 1 1183 . 1 1 108 108 LEU HD23 H 1 0.509 0.007 . 2 . . . . 117 LEU QD2 . 15306 1 1184 . 1 1 108 108 LEU HG H 1 1.375 0.005 . 1 . . . . 117 LEU HG . 15306 1 1185 . 1 1 108 108 LEU CA C 13 55.308 0.1 . 1 . . . . 117 LEU CA . 15306 1 1186 . 1 1 108 108 LEU CB C 13 42.871 0.021 . 1 . . . . 117 LEU CB . 15306 1 1187 . 1 1 108 108 LEU CD1 C 13 26.365 0.1 . 2 . . . . 117 LEU CD1 . 15306 1 1188 . 1 1 108 108 LEU CD2 C 13 23.575 0.1 . 2 . . . . 117 LEU CD2 . 15306 1 1189 . 1 1 108 108 LEU CG C 13 28.044 0.1 . 1 . . . . 117 LEU CG . 15306 1 1190 . 1 1 108 108 LEU N N 15 121.121 0.1 . 1 . . . . 117 LEU N . 15306 1 1191 . 1 1 109 109 CYS H H 1 9.705 0.01 . 1 . . . . 118 CYS HN . 15306 1 1192 . 1 1 109 109 CYS HA H 1 4.839 0.005 . 1 . . . . 118 CYS HA . 15306 1 1193 . 1 1 109 109 CYS HB2 H 1 3.168 0.01 . 2 . . . . 118 CYS HB2 . 15306 1 1194 . 1 1 109 109 CYS HB3 H 1 3.037 0.01 . 2 . . . . 118 CYS HB3 . 15306 1 1195 . 1 1 109 109 CYS CA C 13 57.979 0.1 . 1 . . . . 118 CYS CA . 15306 1 1196 . 1 1 109 109 CYS CB C 13 31.953 0.1 . 1 . . . . 118 CYS CB . 15306 1 1197 . 1 1 109 109 CYS N N 15 118.403 0.1 . 1 . . . . 118 CYS N . 15306 1 1198 . 1 1 110 110 LYS H H 1 8.419 0.01 . 1 . . . . 119 LYS HN . 15306 1 1199 . 1 1 110 110 LYS HA H 1 4.426 0.005 . 1 . . . . 119 LYS HA . 15306 1 1200 . 1 1 110 110 LYS HB2 H 1 2.110 0.005 . 2 . . . . 119 LYS HB2 . 15306 1 1201 . 1 1 110 110 LYS HB3 H 1 1.778 0.005 . 2 . . . . 119 LYS HB3 . 15306 1 1202 . 1 1 110 110 LYS HD2 H 1 1.842 0.01 . 2 . . . . 119 LYS HD2 . 15306 1 1203 . 1 1 110 110 LYS HD3 H 1 1.756 0.010 . 2 . . . . 119 LYS HD3 . 15306 1 1204 . 1 1 110 110 LYS HE2 H 1 3.172 0.005 . 2 . . . . 119 LYS HE2 . 15306 1 1205 . 1 1 110 110 LYS HE3 H 1 3.096 0.012 . 2 . . . . 119 LYS HE3 . 15306 1 1206 . 1 1 110 110 LYS HG2 H 1 1.573 0.011 . 2 . . . . 119 LYS HG2 . 15306 1 1207 . 1 1 110 110 LYS CA C 13 56.957 0.1 . 1 . . . . 119 LYS CA . 15306 1 1208 . 1 1 110 110 LYS CB C 13 34.386 0.1 . 1 . . . . 119 LYS CB . 15306 1 1209 . 1 1 110 110 LYS CD C 13 30.469 0.1 . 1 . . . . 119 LYS CD . 15306 1 1210 . 1 1 110 110 LYS CE C 13 42.503 0.1 . 1 . . . . 119 LYS CE . 15306 1 1211 . 1 1 110 110 LYS CG C 13 25.992 0.1 . 1 . . . . 119 LYS CG . 15306 1 1212 . 1 1 110 110 LYS N N 15 120.090 0.1 . 1 . . . . 119 LYS N . 15306 1 1213 . 1 1 111 111 LEU H H 1 9.016 0.01 . 1 . . . . 120 LEU HN . 15306 1 1214 . 1 1 111 111 LEU HA H 1 4.054 0.013 . 1 . . . . 120 LEU HA . 15306 1 1215 . 1 1 111 111 LEU HB2 H 1 1.370 0.005 . 2 . . . . 120 LEU HB2 . 15306 1 1216 . 1 1 111 111 LEU HB3 H 1 1.191 0.005 . 2 . . . . 120 LEU HB3 . 15306 1 1217 . 1 1 111 111 LEU HD11 H 1 0.687 0.005 . 2 . . . . 120 LEU QD1 . 15306 1 1218 . 1 1 111 111 LEU HD12 H 1 0.687 0.005 . 2 . . . . 120 LEU QD1 . 15306 1 1219 . 1 1 111 111 LEU HD13 H 1 0.687 0.005 . 2 . . . . 120 LEU QD1 . 15306 1 1220 . 1 1 111 111 LEU HD21 H 1 0.580 0.01 . 2 . . . . 120 LEU QD2 . 15306 1 1221 . 1 1 111 111 LEU HD22 H 1 0.580 0.01 . 2 . . . . 120 LEU QD2 . 15306 1 1222 . 1 1 111 111 LEU HD23 H 1 0.580 0.01 . 2 . . . . 120 LEU QD2 . 15306 1 1223 . 1 1 111 111 LEU CA C 13 57.694 0.1 . 1 . . . . 120 LEU CA . 15306 1 1224 . 1 1 111 111 LEU CB C 13 43.062 0.1 . 1 . . . . 120 LEU CB . 15306 1 1225 . 1 1 111 111 LEU CD1 C 13 24.873 0.1 . 2 . . . . 120 LEU CD1 . 15306 1 1226 . 1 1 111 111 LEU CD2 C 13 24.873 0.1 . 2 . . . . 120 LEU CD2 . 15306 1 1227 . 1 1 111 111 LEU N N 15 123.089 0.1 . 1 . . . . 120 LEU N . 15306 1 1228 . 1 1 112 112 GLY H H 1 7.578 0.006 . 1 . . . . 121 GLY HN . 15306 1 1229 . 1 1 112 112 GLY HA2 H 1 4.320 0.005 . 2 . . . . 121 GLY HA1 . 15306 1 1230 . 1 1 112 112 GLY HA3 H 1 3.863 0.005 . 2 . . . . 121 GLY HA2 . 15306 1 1231 . 1 1 112 112 GLY CA C 13 44.644 0.1 . 1 . . . . 121 GLY CA . 15306 1 1232 . 1 1 112 112 GLY N N 15 105.939 0.1 . 1 . . . . 121 GLY N . 15306 1 1233 . 1 1 113 113 PRO HA H 1 4.365 0.005 . 1 . . . . 122 PRO HA . 15306 1 1234 . 1 1 113 113 PRO HB2 H 1 2.337 0.010 . 2 . . . . 122 PRO HB2 . 15306 1 1235 . 1 1 113 113 PRO HB3 H 1 1.960 0.006 . 2 . . . . 122 PRO HB3 . 15306 1 1236 . 1 1 113 113 PRO HD2 H 1 3.676 0.005 . 2 . . . . 122 PRO HD2 . 15306 1 1237 . 1 1 113 113 PRO HD3 H 1 3.605 0.006 . 2 . . . . 122 PRO HD3 . 15306 1 1238 . 1 1 113 113 PRO HG2 H 1 2.068 0.011 . 2 . . . . 122 PRO HG2 . 15306 1 1239 . 1 1 113 113 PRO HG3 H 1 1.978 0.007 . 2 . . . . 122 PRO HG3 . 15306 1 1240 . 1 1 113 113 PRO CA C 13 64.692 0.1 . 1 . . . . 122 PRO CA . 15306 1 1241 . 1 1 113 113 PRO CB C 13 32.663 0.044 . 1 . . . . 122 PRO CB . 15306 1 1242 . 1 1 113 113 PRO CD C 13 49.932 0.1 . 1 . . . . 122 PRO CD . 15306 1 1243 . 1 1 113 113 PRO CG C 13 27.484 0.1 . 1 . . . . 122 PRO CG . 15306 1 1244 . 1 1 114 114 ASN H H 1 8.603 0.01 . 1 . . . . 123 ASN HN . 15306 1 1245 . 1 1 114 114 ASN HA H 1 4.899 0.005 . 1 . . . . 123 ASN HA . 15306 1 1246 . 1 1 114 114 ASN HB2 H 1 2.968 0.01 . 2 . . . . 123 ASN HB2 . 15306 1 1247 . 1 1 114 114 ASN HB3 H 1 2.706 0.01 . 2 . . . . 123 ASN HB3 . 15306 1 1248 . 1 1 114 114 ASN HD21 H 1 7.617 0.01 . 2 . . . . 123 ASN HD21 . 15306 1 1249 . 1 1 114 114 ASN HD22 H 1 6.995 0.01 . 2 . . . . 123 ASN HD22 . 15306 1 1250 . 1 1 114 114 ASN CA C 13 52.944 0.1 . 1 . . . . 123 ASN CA . 15306 1 1251 . 1 1 114 114 ASN CB C 13 39.041 0.1 . 1 . . . . 123 ASN CB . 15306 1 1252 . 1 1 114 114 ASN N N 15 115.591 0.1 . 1 . . . . 123 ASN N . 15306 1 1253 . 1 1 114 114 ASN ND2 N 15 113.764 0.1 . 1 . . . . 123 ASN ND2 . 15306 1 1254 . 1 1 115 115 ASP H H 1 7.507 0.01 . 1 . . . . 124 ASP HN . 15306 1 1255 . 1 1 115 115 ASP HA H 1 4.507 0.007 . 1 . . . . 124 ASP HA . 15306 1 1256 . 1 1 115 115 ASP HB2 H 1 2.842 0.01 . 2 . . . . 124 ASP HB2 . 15306 1 1257 . 1 1 115 115 ASP HB3 H 1 2.686 0.01 . 2 . . . . 124 ASP HB3 . 15306 1 1258 . 1 1 115 115 ASP CA C 13 54.843 0.1 . 1 . . . . 124 ASP CA . 15306 1 1259 . 1 1 115 115 ASP CB C 13 41.620 0.1 . 1 . . . . 124 ASP CB . 15306 1 1260 . 1 1 115 115 ASP N N 15 121.215 0.1 . 1 . . . . 124 ASP N . 15306 1 1261 . 1 1 116 116 ASN H H 1 8.741 0.01 . 1 . . . . 125 ASN HN . 15306 1 1262 . 1 1 116 116 ASN HA H 1 4.823 0.019 . 1 . . . . 125 ASN HA . 15306 1 1263 . 1 1 116 116 ASN HB2 H 1 2.931 0.01 . 2 . . . . 125 ASN HB2 . 15306 1 1264 . 1 1 116 116 ASN HB3 H 1 2.782 0.01 . 2 . . . . 125 ASN HB3 . 15306 1 1265 . 1 1 116 116 ASN HD21 H 1 7.626 0.01 . 2 . . . . 125 ASN HD21 . 15306 1 1266 . 1 1 116 116 ASN HD22 H 1 6.941 0.01 . 2 . . . . 125 ASN HD22 . 15306 1 1267 . 1 1 116 116 ASN CA C 13 53.447 0.1 . 1 . . . . 125 ASN CA . 15306 1 1268 . 1 1 116 116 ASN CB C 13 43.830 0.1 . 1 . . . . 125 ASN CB . 15306 1 1269 . 1 1 116 116 ASN N N 15 120.137 0.1 . 1 . . . . 125 ASN N . 15306 1 1270 . 1 1 116 116 ASN ND2 N 15 113.014 0.1 . 1 . . . . 125 ASN ND2 . 15306 1 1271 . 1 1 117 117 ASP H H 1 8.039 0.01 . 1 . . . . 126 ASP HN . 15306 1 1272 . 1 1 117 117 ASP HA H 1 4.745 0.005 . 1 . . . . 126 ASP HA . 15306 1 1273 . 1 1 117 117 ASP HB2 H 1 2.701 0.005 . 2 . . . . 126 ASP HB2 . 15306 1 1274 . 1 1 117 117 ASP CA C 13 54.436 0.1 . 1 . . . . 126 ASP CA . 15306 1 1275 . 1 1 117 117 ASP CB C 13 42.046 0.1 . 1 . . . . 126 ASP CB . 15306 1 1276 . 1 1 117 117 ASP N N 15 120.746 0.1 . 1 . . . . 126 ASP N . 15306 1 1277 . 1 1 118 118 THR H H 1 8.361 0.01 . 1 . . . . 127 THR HN . 15306 1 1278 . 1 1 118 118 THR HA H 1 4.331 0.012 . 1 . . . . 127 THR HA . 15306 1 1279 . 1 1 118 118 THR HB H 1 4.059 0.005 . 1 . . . . 127 THR HB . 15306 1 1280 . 1 1 118 118 THR HG21 H 1 1.202 0.005 . 2 . . . . 127 THR QG2 . 15306 1 1281 . 1 1 118 118 THR HG22 H 1 1.202 0.005 . 2 . . . . 127 THR QG2 . 15306 1 1282 . 1 1 118 118 THR HG23 H 1 1.202 0.005 . 2 . . . . 127 THR QG2 . 15306 1 1283 . 1 1 118 118 THR CA C 13 62.454 0.1 . 1 . . . . 127 THR CA . 15306 1 1284 . 1 1 118 118 THR CB C 13 70.191 0.1 . 1 . . . . 127 THR CB . 15306 1 1285 . 1 1 118 118 THR CG2 C 13 22.254 0.1 . 1 . . . . 127 THR CG2 . 15306 1 1286 . 1 1 118 118 THR N N 15 116.903 0.1 . 1 . . . . 127 THR N . 15306 1 1287 . 1 1 119 119 VAL H H 1 8.152 0.01 . 1 . . . . 128 VAL HN . 15306 1 1288 . 1 1 119 119 VAL HA H 1 4.172 0.012 . 1 . . . . 128 VAL HA . 15306 1 1289 . 1 1 119 119 VAL HB H 1 1.816 0.006 . 1 . . . . 128 VAL HB . 15306 1 1290 . 1 1 119 119 VAL HG11 H 1 0.633 0.005 . 2 . . . . 128 VAL QG1 . 15306 1 1291 . 1 1 119 119 VAL HG12 H 1 0.633 0.005 . 2 . . . . 128 VAL QG1 . 15306 1 1292 . 1 1 119 119 VAL HG13 H 1 0.633 0.005 . 2 . . . . 128 VAL QG1 . 15306 1 1293 . 1 1 119 119 VAL HG21 H 1 0.646 0.005 . 2 . . . . 128 VAL QG2 . 15306 1 1294 . 1 1 119 119 VAL HG22 H 1 0.646 0.005 . 2 . . . . 128 VAL QG2 . 15306 1 1295 . 1 1 119 119 VAL HG23 H 1 0.646 0.005 . 2 . . . . 128 VAL QG2 . 15306 1 1296 . 1 1 119 119 VAL CA C 13 61.051 0.1 . 1 . . . . 128 VAL CA . 15306 1 1297 . 1 1 119 119 VAL CB C 13 35.124 0.1 . 1 . . . . 128 VAL CB . 15306 1 1298 . 1 1 119 119 VAL CG1 C 13 22.068 0.1 . 2 . . . . 128 VAL CG1 . 15306 1 1299 . 1 1 119 119 VAL CG2 C 13 20.777 0.1 . 2 . . . . 128 VAL CG2 . 15306 1 1300 . 1 1 119 119 VAL N N 15 119.903 0.1 . 1 . . . . 128 VAL N . 15306 1 1301 . 1 1 120 120 ARG H H 1 7.884 0.01 . 1 . . . . 129 ARG HN . 15306 1 1302 . 1 1 120 120 ARG HA H 1 4.719 0.012 . 1 . . . . 129 ARG HA . 15306 1 1303 . 1 1 120 120 ARG HB2 H 1 1.916 0.091 . 2 . . . . 129 ARG HB2 . 15306 1 1304 . 1 1 120 120 ARG HB3 H 1 1.568 0.005 . 2 . . . . 129 ARG HB3 . 15306 1 1305 . 1 1 120 120 ARG HD2 H 1 3.173 0.008 . 2 . . . . 129 ARG HD2 . 15306 1 1306 . 1 1 120 120 ARG HG2 H 1 1.722 0.005 . 2 . . . . 129 ARG HG2 . 15306 1 1307 . 1 1 120 120 ARG CA C 13 55.555 0.1 . 1 . . . . 129 ARG CA . 15306 1 1308 . 1 1 120 120 ARG CB C 13 34.945 0.1 . 1 . . . . 129 ARG CB . 15306 1 1309 . 1 1 120 120 ARG CD C 13 44.146 0.1 . 1 . . . . 129 ARG CD . 15306 1 1310 . 1 1 120 120 ARG CG C 13 27.111 0.1 . 1 . . . . 129 ARG CG . 15306 1 1311 . 1 1 120 120 ARG N N 15 122.621 0.1 . 1 . . . . 129 ARG N . 15306 1 1312 . 1 1 121 121 GLY H H 1 8.289 0.01 . 1 . . . . 130 GLY HN . 15306 1 1313 . 1 1 121 121 GLY HA2 H 1 4.605 0.005 . 2 . . . . 130 GLY HA1 . 15306 1 1314 . 1 1 121 121 GLY HA3 H 1 3.803 0.005 . 2 . . . . 130 GLY HA2 . 15306 1 1315 . 1 1 121 121 GLY CA C 13 45.756 0.1 . 1 . . . . 130 GLY CA . 15306 1 1316 . 1 1 121 121 GLY N N 15 107.626 0.1 . 1 . . . . 130 GLY N . 15306 1 1317 . 1 1 122 122 GLN H H 1 8.408 0.005 . 1 . . . . 131 GLN HN . 15306 1 1318 . 1 1 122 122 GLN HA H 1 5.434 0.005 . 1 . . . . 131 GLN HA . 15306 1 1319 . 1 1 122 122 GLN HB2 H 1 1.787 0.026 . 2 . . . . 131 GLN HB2 . 15306 1 1320 . 1 1 122 122 GLN HE21 H 1 7.684 0.01 . 2 . . . . 131 GLN HE21 . 15306 1 1321 . 1 1 122 122 GLN HE22 H 1 6.747 0.01 . 2 . . . . 131 GLN HE22 . 15306 1 1322 . 1 1 122 122 GLN HG2 H 1 2.341 0.005 . 2 . . . . 131 GLN HG2 . 15306 1 1323 . 1 1 122 122 GLN CA C 13 54.809 0.1 . 1 . . . . 131 GLN CA . 15306 1 1324 . 1 1 122 122 GLN CB C 13 34.756 0.1 . 1 . . . . 131 GLN CB . 15306 1 1325 . 1 1 122 122 GLN CG C 13 34.759 0.1 . 1 . . . . 131 GLN CG . 15306 1 1326 . 1 1 122 122 GLN N N 15 114.654 0.1 . 1 . . . . 131 GLN N . 15306 1 1327 . 1 1 122 122 GLN NE2 N 15 113.014 0.1 . 1 . . . . 131 GLN NE2 . 15306 1 1328 . 1 1 123 123 ILE H H 1 9.273 0.009 . 1 . . . . 132 ILE HN . 15306 1 1329 . 1 1 123 123 ILE HA H 1 5.207 0.01 . 1 . . . . 132 ILE HA . 15306 1 1330 . 1 1 123 123 ILE HB H 1 1.585 0.005 . 1 . . . . 132 ILE HB . 15306 1 1331 . 1 1 123 123 ILE HD11 H 1 0.780 0.005 . 2 . . . . 132 ILE QD1 . 15306 1 1332 . 1 1 123 123 ILE HD12 H 1 0.780 0.005 . 2 . . . . 132 ILE QD1 . 15306 1 1333 . 1 1 123 123 ILE HD13 H 1 0.780 0.005 . 2 . . . . 132 ILE QD1 . 15306 1 1334 . 1 1 123 123 ILE HG12 H 1 1.948 0.006 . 2 . . . . 132 ILE HG12 . 15306 1 1335 . 1 1 123 123 ILE HG13 H 1 1.180 0.005 . 2 . . . . 132 ILE HG13 . 15306 1 1336 . 1 1 123 123 ILE HG21 H 1 0.938 0.005 . 2 . . . . 132 ILE QG2 . 15306 1 1337 . 1 1 123 123 ILE HG22 H 1 0.938 0.005 . 2 . . . . 132 ILE QG2 . 15306 1 1338 . 1 1 123 123 ILE HG23 H 1 0.938 0.005 . 2 . . . . 132 ILE QG2 . 15306 1 1339 . 1 1 123 123 ILE CA C 13 59.284 0.1 . 1 . . . . 132 ILE CA . 15306 1 1340 . 1 1 123 123 ILE CB C 13 44.085 0.1 . 1 . . . . 132 ILE CB . 15306 1 1341 . 1 1 123 123 ILE CD1 C 13 16.114 0.1 . 1 . . . . 132 ILE CD1 . 15306 1 1342 . 1 1 123 123 ILE CG1 C 13 28.976 0.1 . 1 . . . . 132 ILE CG1 . 15306 1 1343 . 1 1 123 123 ILE CG2 C 13 17.793 0.1 . 1 . . . . 132 ILE CG2 . 15306 1 1344 . 1 1 123 123 ILE N N 15 118.216 0.1 . 1 . . . . 132 ILE N . 15306 1 1345 . 1 1 124 124 VAL H H 1 8.750 0.01 . 1 . . . . 133 VAL HN . 15306 1 1346 . 1 1 124 124 VAL HA H 1 5.338 0.005 . 1 . . . . 133 VAL HA . 15306 1 1347 . 1 1 124 124 VAL HB H 1 2.291 0.016 . 1 . . . . 133 VAL HB . 15306 1 1348 . 1 1 124 124 VAL HG11 H 1 0.827 0.007 . 2 . . . . 133 VAL QG1 . 15306 1 1349 . 1 1 124 124 VAL HG12 H 1 0.827 0.007 . 2 . . . . 133 VAL QG1 . 15306 1 1350 . 1 1 124 124 VAL HG13 H 1 0.827 0.007 . 2 . . . . 133 VAL QG1 . 15306 1 1351 . 1 1 124 124 VAL HG21 H 1 0.708 0.005 . 2 . . . . 133 VAL QG2 . 15306 1 1352 . 1 1 124 124 VAL HG22 H 1 0.708 0.005 . 2 . . . . 133 VAL QG2 . 15306 1 1353 . 1 1 124 124 VAL HG23 H 1 0.708 0.005 . 2 . . . . 133 VAL QG2 . 15306 1 1354 . 1 1 124 124 VAL CA C 13 61.611 0.1 . 1 . . . . 133 VAL CA . 15306 1 1355 . 1 1 124 124 VAL CB C 13 32.620 0.1 . 1 . . . . 133 VAL CB . 15306 1 1356 . 1 1 124 124 VAL CG1 C 13 22.068 0.1 . 2 . . . . 133 VAL CG1 . 15306 1 1357 . 1 1 124 124 VAL CG2 C 13 21.322 0.1 . 2 . . . . 133 VAL CG2 . 15306 1 1358 . 1 1 124 124 VAL N N 15 126.088 0.1 . 1 . . . . 133 VAL N . 15306 1 1359 . 1 1 125 125 VAL H H 1 8.698 0.005 . 1 . . . . 134 VAL HN . 15306 1 1360 . 1 1 125 125 VAL HA H 1 5.859 0.006 . 1 . . . . 134 VAL HA . 15306 1 1361 . 1 1 125 125 VAL HB H 1 2.255 0.008 . 1 . . . . 134 VAL HB . 15306 1 1362 . 1 1 125 125 VAL HG11 H 1 1.023 0.006 . 2 . . . . 134 VAL QG1 . 15306 1 1363 . 1 1 125 125 VAL HG12 H 1 1.023 0.006 . 2 . . . . 134 VAL QG1 . 15306 1 1364 . 1 1 125 125 VAL HG13 H 1 1.023 0.006 . 2 . . . . 134 VAL QG1 . 15306 1 1365 . 1 1 125 125 VAL HG21 H 1 0.760 0.005 . 2 . . . . 134 VAL QG2 . 15306 1 1366 . 1 1 125 125 VAL HG22 H 1 0.760 0.005 . 2 . . . . 134 VAL QG2 . 15306 1 1367 . 1 1 125 125 VAL HG23 H 1 0.760 0.005 . 2 . . . . 134 VAL QG2 . 15306 1 1368 . 1 1 125 125 VAL CA C 13 57.880 0.1 . 1 . . . . 134 VAL CA . 15306 1 1369 . 1 1 125 125 VAL CB C 13 36.990 0.1 . 1 . . . . 134 VAL CB . 15306 1 1370 . 1 1 125 125 VAL CG1 C 13 22.175 0.1 . 2 . . . . 134 VAL CG1 . 15306 1 1371 . 1 1 125 125 VAL CG2 C 13 18.524 0.1 . 2 . . . . 134 VAL CG2 . 15306 1 1372 . 1 1 125 125 VAL N N 15 117.895 0.1 . 1 . . . . 134 VAL N . 15306 1 1373 . 1 1 126 126 SER H H 1 8.746 0.005 . 1 . . . . 135 SER HN . 15306 1 1374 . 1 1 126 126 SER HA H 1 4.881 0.009 . 1 . . . . 135 SER HA . 15306 1 1375 . 1 1 126 126 SER HB2 H 1 3.379 0.013 . 2 . . . . 135 SER HB2 . 15306 1 1376 . 1 1 126 126 SER HB3 H 1 3.163 0.01 . 2 . . . . 135 SER HB3 . 15306 1 1377 . 1 1 126 126 SER CA C 13 56.860 0.1 . 1 . . . . 135 SER CA . 15306 1 1378 . 1 1 126 126 SER CB C 13 66.695 0.1 . 1 . . . . 135 SER CB . 15306 1 1379 . 1 1 126 126 SER N N 15 112.967 0.1 . 1 . . . . 135 SER N . 15306 1 1380 . 1 1 127 127 LEU H H 1 9.710 0.01 . 1 . . . . 136 LEU HN . 15306 1 1381 . 1 1 127 127 LEU HA H 1 5.244 0.01 . 1 . . . . 136 LEU HA . 15306 1 1382 . 1 1 127 127 LEU HB2 H 1 1.438 0.005 . 2 . . . . 136 LEU HB2 . 15306 1 1383 . 1 1 127 127 LEU HD11 H 1 0.850 0.01 . 2 . . . . 136 LEU QD1 . 15306 1 1384 . 1 1 127 127 LEU HD12 H 1 0.850 0.01 . 2 . . . . 136 LEU QD1 . 15306 1 1385 . 1 1 127 127 LEU HD13 H 1 0.850 0.01 . 2 . . . . 136 LEU QD1 . 15306 1 1386 . 1 1 127 127 LEU HD21 H 1 0.825 0.005 . 2 . . . . 136 LEU QD2 . 15306 1 1387 . 1 1 127 127 LEU HD22 H 1 0.825 0.005 . 2 . . . . 136 LEU QD2 . 15306 1 1388 . 1 1 127 127 LEU HD23 H 1 0.825 0.005 . 2 . . . . 136 LEU QD2 . 15306 1 1389 . 1 1 127 127 LEU HG H 1 1.547 0.010 . 1 . . . . 136 LEU HG . 15306 1 1390 . 1 1 127 127 LEU CA C 13 54.436 0.1 . 1 . . . . 136 LEU CA . 15306 1 1391 . 1 1 127 127 LEU CB C 13 46.137 0.1 . 1 . . . . 136 LEU CB . 15306 1 1392 . 1 1 127 127 LEU CD1 C 13 27.298 0.1 . 2 . . . . 136 LEU CD1 . 15306 1 1393 . 1 1 127 127 LEU CD2 C 13 26.179 0.1 . 2 . . . . 136 LEU CD2 . 15306 1 1394 . 1 1 127 127 LEU CG C 13 28.790 0.1 . 1 . . . . 136 LEU CG . 15306 1 1395 . 1 1 127 127 LEU N N 15 125.760 0.1 . 1 . . . . 136 LEU N . 15306 1 1396 . 1 1 128 128 GLN H H 1 9.256 0.023 . 1 . . . . 137 GLN HN . 15306 1 1397 . 1 1 128 128 GLN HA H 1 5.128 0.006 . 1 . . . . 137 GLN HA . 15306 1 1398 . 1 1 128 128 GLN HB2 H 1 2.131 0.005 . 2 . . . . 137 GLN HB2 . 15306 1 1399 . 1 1 128 128 GLN HB3 H 1 1.882 0.005 . 2 . . . . 137 GLN HB3 . 15306 1 1400 . 1 1 128 128 GLN HE21 H 1 7.238 0.01 . 2 . . . . 137 GLN HE21 . 15306 1 1401 . 1 1 128 128 GLN HE22 H 1 6.855 0.01 . 2 . . . . 137 GLN HE22 . 15306 1 1402 . 1 1 128 128 GLN HG2 H 1 2.436 0.009 . 2 . . . . 137 GLN HG2 . 15306 1 1403 . 1 1 128 128 GLN HG3 H 1 2.332 0.005 . 2 . . . . 137 GLN HG3 . 15306 1 1404 . 1 1 128 128 GLN CA C 13 54.063 0.1 . 1 . . . . 137 GLN CA . 15306 1 1405 . 1 1 128 128 GLN CB C 13 34.063 0.053 . 1 . . . . 137 GLN CB . 15306 1 1406 . 1 1 128 128 GLN CG C 13 34.572 0.1 . 1 . . . . 137 GLN CG . 15306 1 1407 . 1 1 128 128 GLN N N 15 125.526 0.1 . 1 . . . . 137 GLN N . 15306 1 1408 . 1 1 128 128 GLN NE2 N 15 112.452 0.1 . 1 . . . . 137 GLN NE2 . 15306 1 1409 . 1 1 129 129 SER H H 1 8.222 0.01 . 1 . . . . 138 SER HN . 15306 1 1410 . 1 1 129 129 SER HA H 1 4.476 0.01 . 1 . . . . 138 SER HA . 15306 1 1411 . 1 1 129 129 SER HB2 H 1 4.008 0.005 . 2 . . . . 138 SER HB2 . 15306 1 1412 . 1 1 129 129 SER HB3 H 1 3.869 0.007 . 2 . . . . 138 SER HB3 . 15306 1 1413 . 1 1 129 129 SER CA C 13 60.814 0.1 . 1 . . . . 138 SER CA . 15306 1 1414 . 1 1 129 129 SER CB C 13 63.116 0.1 . 1 . . . . 138 SER CB . 15306 1 1415 . 1 1 129 129 SER N N 15 125.620 0.1 . 1 . . . . 138 SER N . 15306 1 1416 . 1 1 130 130 ARG H H 1 8.032 0.01 . 1 . . . . 139 ARG HN . 15306 1 1417 . 1 1 130 130 ARG HA H 1 4.601 0.01 . 1 . . . . 139 ARG HA . 15306 1 1418 . 1 1 130 130 ARG HB2 H 1 1.886 0.005 . 2 . . . . 139 ARG HB2 . 15306 1 1419 . 1 1 130 130 ARG HB3 H 1 1.449 0.005 . 2 . . . . 139 ARG HB3 . 15306 1 1420 . 1 1 130 130 ARG HD2 H 1 3.153 0.005 . 2 . . . . 139 ARG HD2 . 15306 1 1421 . 1 1 130 130 ARG HD3 H 1 2.963 0.005 . 2 . . . . 139 ARG HD3 . 15306 1 1422 . 1 1 130 130 ARG HG2 H 1 1.556 0.010 . 2 . . . . 139 ARG HG2 . 15306 1 1423 . 1 1 130 130 ARG HG3 H 1 1.460 0.010 . 2 . . . . 139 ARG HG3 . 15306 1 1424 . 1 1 130 130 ARG CA C 13 53.934 0.1 . 1 . . . . 139 ARG CA . 15306 1 1425 . 1 1 130 130 ARG CB C 13 32.334 0.1 . 1 . . . . 139 ARG CB . 15306 1 1426 . 1 1 130 130 ARG CD C 13 42.636 0.1 . 1 . . . . 139 ARG CD . 15306 1 1427 . 1 1 130 130 ARG CG C 13 26.738 0.1 . 1 . . . . 139 ARG CG . 15306 1 1428 . 1 1 130 130 ARG N N 15 123.136 0.1 . 1 . . . . 139 ARG N . 15306 1 1429 . 1 1 131 131 ASP H H 1 8.048 0.01 . 1 . . . . 140 ASP HN . 15306 1 1430 . 1 1 131 131 ASP HA H 1 4.423 0.005 . 1 . . . . 140 ASP HA . 15306 1 1431 . 1 1 131 131 ASP HB2 H 1 2.709 0.007 . 2 . . . . 140 ASP HB2 . 15306 1 1432 . 1 1 131 131 ASP HB3 H 1 2.551 0.01 . 2 . . . . 140 ASP HB3 . 15306 1 1433 . 1 1 131 131 ASP CA C 13 56.201 0.1 . 1 . . . . 140 ASP CA . 15306 1 1434 . 1 1 131 131 ASP CB C 13 42.406 0.1 . 1 . . . . 140 ASP CB . 15306 1 1435 . 1 1 131 131 ASP N N 15 126.557 0.1 . 1 . . . . 140 ASP N . 15306 1 stop_ save_