data_10165 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 10165 _Entry.Title ; Solution structure of the CBM_21 domain from human protein phosphatase 1, regulatory (inhibitor) subunit 3B ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2007-12-28 _Entry.Accession_date 2008-01-08 _Entry.Last_release_date 2009-02-23 _Entry.Original_release_date 2009-02-23 _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 T. Tomizawa . . . 10165 2 S. Koshiba . . . 10165 3 S. Watanabe . . . 10165 4 T. Harada . . . 10165 5 T. Kigawa . . . 10165 6 S. Yokoyama . . . 10165 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 1 'Protein 3000 Project' 'Protein Research Group, RIKEN Genomic Sciences Center' 'RIKEN GSC' 10165 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 10165 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 689 10165 '15N chemical shifts' 164 10165 '1H chemical shifts' 1053 10165 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2009-02-23 2007-12-28 original author . 10165 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2EEF 'BMRB Entry Tracking System' 10165 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 10165 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Solution structure of the CBM_21 domain from human protein phosphatase 1, regulatory (inhibitor) subunit 3B ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _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 . _Citation.Page_last . _Citation.Year . _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 T. Tomizawa . . . 10165 1 2 S. Koshiba . . . 10165 1 3 S. Watanabe . . . 10165 1 4 T. Harada . . . 10165 1 5 T. Kigawa . . . 10165 1 6 S. Yokoyama . . . 10165 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 10165 _Assembly.ID 1 _Assembly.Name 'Protein phosphatase 1, regulatory (Inhibitor) subunit 3B' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _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 'Protein phosphatase 1, regulatory (Inhibitor) subunit 3B' 1 $entity_1 . . yes native no no . . . 10165 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID . PDB 2EEF . . . . . . 10165 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 10165 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'CBM_21 domain, residues 8-156' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSSGSSGAESESFVLDFSQP SADYLDFRNRLQADHVCLEN CVLKDKAIAGTVKVQNLAFE KTVKIRMTFDTWKSYTDFPC QYVKDTYAGSDRDTFSFDIS LPEKIQSYERMEFAVYYECN GQTYWDSNRGKNYRIIRAEL KSTQGMTKPHSGPDLG ; _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 156 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _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 2EEF . "Solution Structure Of The Cbm_21 Domain From Human Protein Phosphatase 1, Regulatory (Inhibitor) Subunit 3b" . . . . . 100.00 156 100.00 100.00 2.13e-112 . . . . 10165 1 2 no DBJ BAB14811 . "unnamed protein product [Homo sapiens]" . . . . . 95.51 285 99.33 99.33 4.66e-105 . . . . 10165 1 3 no DBJ BAG53215 . "unnamed protein product [Homo sapiens]" . . . . . 95.51 285 100.00 100.00 9.20e-106 . . . . 10165 1 4 no GB AAH43388 . "Protein phosphatase 1, regulatory (inhibitor) subunit 3B [Homo sapiens]" . . . . . 95.51 285 100.00 100.00 9.20e-106 . . . . 10165 1 5 no GB ADQ33125 . "protein phosphatase 1, regulatory (inhibitor) subunit 3B [synthetic construct]" . . . . . 95.51 285 100.00 100.00 9.20e-106 . . . . 10165 1 6 no GB AIC57095 . "PPP1R3B, partial [synthetic construct]" . . . . . 95.51 285 100.00 100.00 9.20e-106 . . . . 10165 1 7 no GB EAW65572 . "protein phosphatase 1, regulatory (inhibitor) subunit 3B [Homo sapiens]" . . . . . 95.51 285 100.00 100.00 9.20e-106 . . . . 10165 1 8 no GB EHH63994 . "Protein phosphatase 1 regulatory subunit 4 [Macaca fascicularis]" . . . . . 95.51 285 97.32 99.33 5.33e-103 . . . . 10165 1 9 no REF NP_001188258 . "protein phosphatase 1 regulatory subunit 3B [Homo sapiens]" . . . . . 95.51 285 100.00 100.00 9.20e-106 . . . . 10165 1 10 no REF NP_078883 . "protein phosphatase 1 regulatory subunit 3B [Homo sapiens]" . . . . . 95.51 285 100.00 100.00 9.20e-106 . . . . 10165 1 11 no REF XP_003902491 . "PREDICTED: protein phosphatase 1 regulatory subunit 3B [Papio anubis]" . . . . . 95.51 285 97.32 99.33 5.33e-103 . . . . 10165 1 12 no REF XP_003902492 . "PREDICTED: protein phosphatase 1 regulatory subunit 3B [Papio anubis]" . . . . . 95.51 285 97.32 99.33 5.33e-103 . . . . 10165 1 13 no REF XP_004046665 . "PREDICTED: protein phosphatase 1 regulatory subunit 3B isoform 1 [Gorilla gorilla gorilla]" . . . . . 95.51 285 99.33 100.00 7.45e-105 . . . . 10165 1 14 no SP Q86XI6 . "RecName: Full=Protein phosphatase 1 regulatory subunit 3B; AltName: Full=Hepatic glycogen-targeting protein phosphatase 1 regul" . . . . . 95.51 285 100.00 100.00 9.20e-106 . . . . 10165 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'CBM_21 domain, residues 8-156' . 10165 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 . GLY . 10165 1 2 . SER . 10165 1 3 . SER . 10165 1 4 . GLY . 10165 1 5 . SER . 10165 1 6 . SER . 10165 1 7 . GLY . 10165 1 8 . ALA . 10165 1 9 . GLU . 10165 1 10 . SER . 10165 1 11 . GLU . 10165 1 12 . SER . 10165 1 13 . PHE . 10165 1 14 . VAL . 10165 1 15 . LEU . 10165 1 16 . ASP . 10165 1 17 . PHE . 10165 1 18 . SER . 10165 1 19 . GLN . 10165 1 20 . PRO . 10165 1 21 . SER . 10165 1 22 . ALA . 10165 1 23 . ASP . 10165 1 24 . TYR . 10165 1 25 . LEU . 10165 1 26 . ASP . 10165 1 27 . PHE . 10165 1 28 . ARG . 10165 1 29 . ASN . 10165 1 30 . ARG . 10165 1 31 . LEU . 10165 1 32 . GLN . 10165 1 33 . ALA . 10165 1 34 . ASP . 10165 1 35 . HIS . 10165 1 36 . VAL . 10165 1 37 . CYS . 10165 1 38 . LEU . 10165 1 39 . GLU . 10165 1 40 . ASN . 10165 1 41 . CYS . 10165 1 42 . VAL . 10165 1 43 . LEU . 10165 1 44 . LYS . 10165 1 45 . ASP . 10165 1 46 . LYS . 10165 1 47 . ALA . 10165 1 48 . ILE . 10165 1 49 . ALA . 10165 1 50 . GLY . 10165 1 51 . THR . 10165 1 52 . VAL . 10165 1 53 . LYS . 10165 1 54 . VAL . 10165 1 55 . GLN . 10165 1 56 . ASN . 10165 1 57 . LEU . 10165 1 58 . ALA . 10165 1 59 . PHE . 10165 1 60 . GLU . 10165 1 61 . LYS . 10165 1 62 . THR . 10165 1 63 . VAL . 10165 1 64 . LYS . 10165 1 65 . ILE . 10165 1 66 . ARG . 10165 1 67 . MET . 10165 1 68 . THR . 10165 1 69 . PHE . 10165 1 70 . ASP . 10165 1 71 . THR . 10165 1 72 . TRP . 10165 1 73 . LYS . 10165 1 74 . SER . 10165 1 75 . TYR . 10165 1 76 . THR . 10165 1 77 . ASP . 10165 1 78 . PHE . 10165 1 79 . PRO . 10165 1 80 . CYS . 10165 1 81 . GLN . 10165 1 82 . TYR . 10165 1 83 . VAL . 10165 1 84 . LYS . 10165 1 85 . ASP . 10165 1 86 . THR . 10165 1 87 . TYR . 10165 1 88 . ALA . 10165 1 89 . GLY . 10165 1 90 . SER . 10165 1 91 . ASP . 10165 1 92 . ARG . 10165 1 93 . ASP . 10165 1 94 . THR . 10165 1 95 . PHE . 10165 1 96 . SER . 10165 1 97 . PHE . 10165 1 98 . ASP . 10165 1 99 . ILE . 10165 1 100 . SER . 10165 1 101 . LEU . 10165 1 102 . PRO . 10165 1 103 . GLU . 10165 1 104 . LYS . 10165 1 105 . ILE . 10165 1 106 . GLN . 10165 1 107 . SER . 10165 1 108 . TYR . 10165 1 109 . GLU . 10165 1 110 . ARG . 10165 1 111 . MET . 10165 1 112 . GLU . 10165 1 113 . PHE . 10165 1 114 . ALA . 10165 1 115 . VAL . 10165 1 116 . TYR . 10165 1 117 . TYR . 10165 1 118 . GLU . 10165 1 119 . CYS . 10165 1 120 . ASN . 10165 1 121 . GLY . 10165 1 122 . GLN . 10165 1 123 . THR . 10165 1 124 . TYR . 10165 1 125 . TRP . 10165 1 126 . ASP . 10165 1 127 . SER . 10165 1 128 . ASN . 10165 1 129 . ARG . 10165 1 130 . GLY . 10165 1 131 . LYS . 10165 1 132 . ASN . 10165 1 133 . TYR . 10165 1 134 . ARG . 10165 1 135 . ILE . 10165 1 136 . ILE . 10165 1 137 . ARG . 10165 1 138 . ALA . 10165 1 139 . GLU . 10165 1 140 . LEU . 10165 1 141 . LYS . 10165 1 142 . SER . 10165 1 143 . THR . 10165 1 144 . GLN . 10165 1 145 . GLY . 10165 1 146 . MET . 10165 1 147 . THR . 10165 1 148 . LYS . 10165 1 149 . PRO . 10165 1 150 . HIS . 10165 1 151 . SER . 10165 1 152 . GLY . 10165 1 153 . PRO . 10165 1 154 . ASP . 10165 1 155 . LEU . 10165 1 156 . GLY . 10165 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 10165 1 . SER 2 2 10165 1 . SER 3 3 10165 1 . GLY 4 4 10165 1 . SER 5 5 10165 1 . SER 6 6 10165 1 . GLY 7 7 10165 1 . ALA 8 8 10165 1 . GLU 9 9 10165 1 . SER 10 10 10165 1 . GLU 11 11 10165 1 . SER 12 12 10165 1 . PHE 13 13 10165 1 . VAL 14 14 10165 1 . LEU 15 15 10165 1 . ASP 16 16 10165 1 . PHE 17 17 10165 1 . SER 18 18 10165 1 . GLN 19 19 10165 1 . PRO 20 20 10165 1 . SER 21 21 10165 1 . ALA 22 22 10165 1 . ASP 23 23 10165 1 . TYR 24 24 10165 1 . LEU 25 25 10165 1 . ASP 26 26 10165 1 . PHE 27 27 10165 1 . ARG 28 28 10165 1 . ASN 29 29 10165 1 . ARG 30 30 10165 1 . LEU 31 31 10165 1 . GLN 32 32 10165 1 . ALA 33 33 10165 1 . ASP 34 34 10165 1 . HIS 35 35 10165 1 . VAL 36 36 10165 1 . CYS 37 37 10165 1 . LEU 38 38 10165 1 . GLU 39 39 10165 1 . ASN 40 40 10165 1 . CYS 41 41 10165 1 . VAL 42 42 10165 1 . LEU 43 43 10165 1 . LYS 44 44 10165 1 . ASP 45 45 10165 1 . LYS 46 46 10165 1 . ALA 47 47 10165 1 . ILE 48 48 10165 1 . ALA 49 49 10165 1 . GLY 50 50 10165 1 . THR 51 51 10165 1 . VAL 52 52 10165 1 . LYS 53 53 10165 1 . VAL 54 54 10165 1 . GLN 55 55 10165 1 . ASN 56 56 10165 1 . LEU 57 57 10165 1 . ALA 58 58 10165 1 . PHE 59 59 10165 1 . GLU 60 60 10165 1 . LYS 61 61 10165 1 . THR 62 62 10165 1 . VAL 63 63 10165 1 . LYS 64 64 10165 1 . ILE 65 65 10165 1 . ARG 66 66 10165 1 . MET 67 67 10165 1 . THR 68 68 10165 1 . PHE 69 69 10165 1 . ASP 70 70 10165 1 . THR 71 71 10165 1 . TRP 72 72 10165 1 . LYS 73 73 10165 1 . SER 74 74 10165 1 . TYR 75 75 10165 1 . THR 76 76 10165 1 . ASP 77 77 10165 1 . PHE 78 78 10165 1 . PRO 79 79 10165 1 . CYS 80 80 10165 1 . GLN 81 81 10165 1 . TYR 82 82 10165 1 . VAL 83 83 10165 1 . LYS 84 84 10165 1 . ASP 85 85 10165 1 . THR 86 86 10165 1 . TYR 87 87 10165 1 . ALA 88 88 10165 1 . GLY 89 89 10165 1 . SER 90 90 10165 1 . ASP 91 91 10165 1 . ARG 92 92 10165 1 . ASP 93 93 10165 1 . THR 94 94 10165 1 . PHE 95 95 10165 1 . SER 96 96 10165 1 . PHE 97 97 10165 1 . ASP 98 98 10165 1 . ILE 99 99 10165 1 . SER 100 100 10165 1 . LEU 101 101 10165 1 . PRO 102 102 10165 1 . GLU 103 103 10165 1 . LYS 104 104 10165 1 . ILE 105 105 10165 1 . GLN 106 106 10165 1 . SER 107 107 10165 1 . TYR 108 108 10165 1 . GLU 109 109 10165 1 . ARG 110 110 10165 1 . MET 111 111 10165 1 . GLU 112 112 10165 1 . PHE 113 113 10165 1 . ALA 114 114 10165 1 . VAL 115 115 10165 1 . TYR 116 116 10165 1 . TYR 117 117 10165 1 . GLU 118 118 10165 1 . CYS 119 119 10165 1 . ASN 120 120 10165 1 . GLY 121 121 10165 1 . GLN 122 122 10165 1 . THR 123 123 10165 1 . TYR 124 124 10165 1 . TRP 125 125 10165 1 . ASP 126 126 10165 1 . SER 127 127 10165 1 . ASN 128 128 10165 1 . ARG 129 129 10165 1 . GLY 130 130 10165 1 . LYS 131 131 10165 1 . ASN 132 132 10165 1 . TYR 133 133 10165 1 . ARG 134 134 10165 1 . ILE 135 135 10165 1 . ILE 136 136 10165 1 . ARG 137 137 10165 1 . ALA 138 138 10165 1 . GLU 139 139 10165 1 . LEU 140 140 10165 1 . LYS 141 141 10165 1 . SER 142 142 10165 1 . THR 143 143 10165 1 . GLN 144 144 10165 1 . GLY 145 145 10165 1 . MET 146 146 10165 1 . THR 147 147 10165 1 . LYS 148 148 10165 1 . PRO 149 149 10165 1 . HIS 150 150 10165 1 . SER 151 151 10165 1 . GLY 152 152 10165 1 . PRO 153 153 10165 1 . ASP 154 154 10165 1 . LEU 155 155 10165 1 . GLY 156 156 10165 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 10165 _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_1 . 9606 organism . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 10165 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 10165 _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_1 . 'cell free synthesis' . . . . . . . . . . . . . . . . . . . plasmid . . P060919-05 . . . . . . 10165 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 10165 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'filamin domain' '[U-13C; U-15N]' . . 1 $entity_1 . protein 1.26 . . mM . . . . 10165 1 2 d-Tris-HCl . . . . . . buffer 20 . . mM . . . . 10165 1 3 NaCl . . . . . . salt 100 . . mM . . . . 10165 1 4 d-DTT . . . . . . salt 1 . . mM . . . . 10165 1 5 NaN3 . . . . . . salt 0.02 . . % . . . . 10165 1 6 D2O . . . . . . solvent 10 . . % . . . . 10165 1 7 H2O . . . . . . solvent 90 . . % . . . . 10165 1 stop_ save_ ####################### # Sample conditions # ####################### save_condition_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode condition_1 _Sample_condition_list.Entry_ID 10165 _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' 120 0.1 mM 10165 1 pH 7.0 0.05 pH 10165 1 pressure 1 0.001 atm 10165 1 temperature 296 0.1 K 10165 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 10165 _Software.ID 1 _Software.Name TOPSPIN _Software.Version 1.3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Bruker . . 10165 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 10165 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 10165 _Software.ID 2 _Software.Name NMRPipe _Software.Version 20060524 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, F' . . 10165 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 10165 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 10165 _Software.ID 3 _Software.Name NMRView _Software.Version 5.0.4 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, B.A.' . . 10165 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10165 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 10165 _Software.ID 4 _Software.Name Kujira _Software.Version 0.9823 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 10165 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10165 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 10165 _Software.ID 5 _Software.Name CYANA _Software.Version 2.0.17 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guentert, P.' . . 10165 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 10165 5 'structure solution' 10165 5 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 10165 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE II' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 10165 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker 'AVANCE II' . 900 . . . 10165 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 10165 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D 13C-separated NOESY' no . . . . . . . . . . 1 $sample_1 . . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10165 1 2 '3D 15N-separated NOESY' no . . . . . . . . . . 1 $sample_1 . . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10165 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode reference_1 _Chem_shift_reference.Entry_ID 10165 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details ; Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios. ; loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 10165 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 10165 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 10165 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_chemical_shift_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_1 _Assigned_chem_shift_list.Entry_ID 10165 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $condition_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D 13C-separated NOESY' 1 $sample_1 isotropic 10165 1 2 '3D 15N-separated NOESY' 1 $sample_1 isotropic 10165 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 6 6 SER CA C 13 58.655 0.300 . 1 . . . . 6 SER CA . 10165 1 2 . 1 1 6 6 SER HA H 1 4.501 0.030 . 1 . . . . 6 SER HA . 10165 1 3 . 1 1 6 6 SER CB C 13 63.644 0.300 . 1 . . . . 6 SER CB . 10165 1 4 . 1 1 6 6 SER HB2 H 1 3.896 0.030 . 1 . . . . 6 SER HB2 . 10165 1 5 . 1 1 6 6 SER HB3 H 1 3.896 0.030 . 1 . . . . 6 SER HB3 . 10165 1 6 . 1 1 6 6 SER C C 13 175.063 0.300 . 1 . . . . 6 SER C . 10165 1 7 . 1 1 7 7 GLY N N 15 111.113 0.300 . 1 . . . . 7 GLY N . 10165 1 8 . 1 1 7 7 GLY H H 1 8.473 0.030 . 1 . . . . 7 GLY H . 10165 1 9 . 1 1 7 7 GLY CA C 13 45.373 0.300 . 1 . . . . 7 GLY CA . 10165 1 10 . 1 1 7 7 GLY HA2 H 1 3.967 0.030 . 1 . . . . 7 GLY HA2 . 10165 1 11 . 1 1 7 7 GLY HA3 H 1 3.967 0.030 . 1 . . . . 7 GLY HA3 . 10165 1 12 . 1 1 7 7 GLY C C 13 173.934 0.300 . 1 . . . . 7 GLY C . 10165 1 13 . 1 1 8 8 ALA N N 15 123.788 0.300 . 1 . . . . 8 ALA N . 10165 1 14 . 1 1 8 8 ALA H H 1 8.197 0.030 . 1 . . . . 8 ALA H . 10165 1 15 . 1 1 8 8 ALA CA C 13 52.548 0.300 . 1 . . . . 8 ALA CA . 10165 1 16 . 1 1 8 8 ALA HA H 1 4.342 0.030 . 1 . . . . 8 ALA HA . 10165 1 17 . 1 1 8 8 ALA CB C 13 19.403 0.300 . 1 . . . . 8 ALA CB . 10165 1 18 . 1 1 8 8 ALA HB1 H 1 1.379 0.030 . 1 . . . . 8 ALA HB . 10165 1 19 . 1 1 8 8 ALA HB2 H 1 1.379 0.030 . 1 . . . . 8 ALA HB . 10165 1 20 . 1 1 8 8 ALA HB3 H 1 1.379 0.030 . 1 . . . . 8 ALA HB . 10165 1 21 . 1 1 8 8 ALA C C 13 177.902 0.300 . 1 . . . . 8 ALA C . 10165 1 22 . 1 1 9 9 GLU N N 15 120.004 0.300 . 1 . . . . 9 GLU N . 10165 1 23 . 1 1 9 9 GLU H H 1 8.524 0.030 . 1 . . . . 9 GLU H . 10165 1 24 . 1 1 9 9 GLU CA C 13 56.763 0.300 . 1 . . . . 9 GLU CA . 10165 1 25 . 1 1 9 9 GLU HA H 1 4.308 0.030 . 1 . . . . 9 GLU HA . 10165 1 26 . 1 1 9 9 GLU CB C 13 30.161 0.300 . 1 . . . . 9 GLU CB . 10165 1 27 . 1 1 9 9 GLU HB2 H 1 2.077 0.030 . 2 . . . . 9 GLU HB2 . 10165 1 28 . 1 1 9 9 GLU HB3 H 1 1.951 0.030 . 2 . . . . 9 GLU HB3 . 10165 1 29 . 1 1 9 9 GLU CG C 13 36.360 0.300 . 1 . . . . 9 GLU CG . 10165 1 30 . 1 1 9 9 GLU HG2 H 1 2.283 0.030 . 1 . . . . 9 GLU HG2 . 10165 1 31 . 1 1 9 9 GLU HG3 H 1 2.283 0.030 . 1 . . . . 9 GLU HG3 . 10165 1 32 . 1 1 9 9 GLU C C 13 176.646 0.300 . 1 . . . . 9 GLU C . 10165 1 33 . 1 1 10 10 SER N N 15 116.268 0.300 . 1 . . . . 10 SER N . 10165 1 34 . 1 1 10 10 SER H H 1 8.305 0.030 . 1 . . . . 10 SER H . 10165 1 35 . 1 1 10 10 SER CA C 13 58.426 0.300 . 1 . . . . 10 SER CA . 10165 1 36 . 1 1 10 10 SER HA H 1 4.429 0.030 . 1 . . . . 10 SER HA . 10165 1 37 . 1 1 10 10 SER CB C 13 63.933 0.300 . 1 . . . . 10 SER CB . 10165 1 38 . 1 1 10 10 SER HB2 H 1 3.854 0.030 . 1 . . . . 10 SER HB2 . 10165 1 39 . 1 1 10 10 SER HB3 H 1 3.854 0.030 . 1 . . . . 10 SER HB3 . 10165 1 40 . 1 1 10 10 SER C C 13 174.267 0.300 . 1 . . . . 10 SER C . 10165 1 41 . 1 1 11 11 GLU N N 15 122.435 0.300 . 1 . . . . 11 GLU N . 10165 1 42 . 1 1 11 11 GLU H H 1 8.368 0.030 . 1 . . . . 11 GLU H . 10165 1 43 . 1 1 11 11 GLU CA C 13 56.233 0.300 . 1 . . . . 11 GLU CA . 10165 1 44 . 1 1 11 11 GLU HA H 1 4.367 0.030 . 1 . . . . 11 GLU HA . 10165 1 45 . 1 1 11 11 GLU CB C 13 30.692 0.300 . 1 . . . . 11 GLU CB . 10165 1 46 . 1 1 11 11 GLU HB2 H 1 1.867 0.030 . 2 . . . . 11 GLU HB2 . 10165 1 47 . 1 1 11 11 GLU HB3 H 1 1.999 0.030 . 2 . . . . 11 GLU HB3 . 10165 1 48 . 1 1 11 11 GLU CG C 13 36.278 0.300 . 1 . . . . 11 GLU CG . 10165 1 49 . 1 1 11 11 GLU HG2 H 1 2.206 0.030 . 1 . . . . 11 GLU HG2 . 10165 1 50 . 1 1 11 11 GLU HG3 H 1 2.206 0.030 . 1 . . . . 11 GLU HG3 . 10165 1 51 . 1 1 11 11 GLU C C 13 175.800 0.300 . 1 . . . . 11 GLU C . 10165 1 52 . 1 1 12 12 SER N N 15 116.596 0.300 . 1 . . . . 12 SER N . 10165 1 53 . 1 1 12 12 SER H H 1 8.299 0.030 . 1 . . . . 12 SER H . 10165 1 54 . 1 1 12 12 SER CA C 13 58.355 0.300 . 1 . . . . 12 SER CA . 10165 1 55 . 1 1 12 12 SER HA H 1 4.457 0.030 . 1 . . . . 12 SER HA . 10165 1 56 . 1 1 12 12 SER CB C 13 64.573 0.300 . 1 . . . . 12 SER CB . 10165 1 57 . 1 1 12 12 SER HB2 H 1 3.678 0.030 . 1 . . . . 12 SER HB2 . 10165 1 58 . 1 1 12 12 SER HB3 H 1 3.678 0.030 . 1 . . . . 12 SER HB3 . 10165 1 59 . 1 1 12 12 SER C C 13 173.309 0.300 . 1 . . . . 12 SER C . 10165 1 60 . 1 1 13 13 PHE N N 15 121.293 0.300 . 1 . . . . 13 PHE N . 10165 1 61 . 1 1 13 13 PHE H H 1 8.346 0.030 . 1 . . . . 13 PHE H . 10165 1 62 . 1 1 13 13 PHE CA C 13 56.851 0.300 . 1 . . . . 13 PHE CA . 10165 1 63 . 1 1 13 13 PHE HA H 1 5.384 0.030 . 1 . . . . 13 PHE HA . 10165 1 64 . 1 1 13 13 PHE CB C 13 42.542 0.300 . 1 . . . . 13 PHE CB . 10165 1 65 . 1 1 13 13 PHE HB2 H 1 2.900 0.030 . 2 . . . . 13 PHE HB2 . 10165 1 66 . 1 1 13 13 PHE HB3 H 1 2.704 0.030 . 2 . . . . 13 PHE HB3 . 10165 1 67 . 1 1 13 13 PHE CD1 C 13 131.306 0.300 . 1 . . . . 13 PHE CD1 . 10165 1 68 . 1 1 13 13 PHE HD1 H 1 7.039 0.030 . 1 . . . . 13 PHE HD1 . 10165 1 69 . 1 1 13 13 PHE CD2 C 13 131.306 0.300 . 1 . . . . 13 PHE CD2 . 10165 1 70 . 1 1 13 13 PHE HD2 H 1 7.039 0.030 . 1 . . . . 13 PHE HD2 . 10165 1 71 . 1 1 13 13 PHE CE1 C 13 131.260 0.300 . 1 . . . . 13 PHE CE1 . 10165 1 72 . 1 1 13 13 PHE HE1 H 1 7.193 0.030 . 1 . . . . 13 PHE HE1 . 10165 1 73 . 1 1 13 13 PHE CE2 C 13 131.260 0.300 . 1 . . . . 13 PHE CE2 . 10165 1 74 . 1 1 13 13 PHE HE2 H 1 7.193 0.030 . 1 . . . . 13 PHE HE2 . 10165 1 75 . 1 1 13 13 PHE CZ C 13 129.861 0.300 . 1 . . . . 13 PHE CZ . 10165 1 76 . 1 1 13 13 PHE HZ H 1 7.181 0.030 . 1 . . . . 13 PHE HZ . 10165 1 77 . 1 1 13 13 PHE C C 13 174.500 0.300 . 1 . . . . 13 PHE C . 10165 1 78 . 1 1 14 14 VAL N N 15 116.020 0.300 . 1 . . . . 14 VAL N . 10165 1 79 . 1 1 14 14 VAL H H 1 9.313 0.030 . 1 . . . . 14 VAL H . 10165 1 80 . 1 1 14 14 VAL CA C 13 60.141 0.300 . 1 . . . . 14 VAL CA . 10165 1 81 . 1 1 14 14 VAL HA H 1 4.455 0.030 . 1 . . . . 14 VAL HA . 10165 1 82 . 1 1 14 14 VAL CB C 13 36.318 0.300 . 1 . . . . 14 VAL CB . 10165 1 83 . 1 1 14 14 VAL HB H 1 2.036 0.030 . 1 . . . . 14 VAL HB . 10165 1 84 . 1 1 14 14 VAL CG1 C 13 21.583 0.300 . 2 . . . . 14 VAL CG1 . 10165 1 85 . 1 1 14 14 VAL HG11 H 1 0.876 0.030 . 1 . . . . 14 VAL HG1 . 10165 1 86 . 1 1 14 14 VAL HG12 H 1 0.876 0.030 . 1 . . . . 14 VAL HG1 . 10165 1 87 . 1 1 14 14 VAL HG13 H 1 0.876 0.030 . 1 . . . . 14 VAL HG1 . 10165 1 88 . 1 1 14 14 VAL CG2 C 13 20.147 0.300 . 2 . . . . 14 VAL CG2 . 10165 1 89 . 1 1 14 14 VAL HG21 H 1 0.802 0.030 . 1 . . . . 14 VAL HG2 . 10165 1 90 . 1 1 14 14 VAL HG22 H 1 0.802 0.030 . 1 . . . . 14 VAL HG2 . 10165 1 91 . 1 1 14 14 VAL HG23 H 1 0.802 0.030 . 1 . . . . 14 VAL HG2 . 10165 1 92 . 1 1 14 14 VAL C C 13 174.668 0.300 . 1 . . . . 14 VAL C . 10165 1 93 . 1 1 15 15 LEU N N 15 121.725 0.300 . 1 . . . . 15 LEU N . 10165 1 94 . 1 1 15 15 LEU H H 1 8.476 0.030 . 1 . . . . 15 LEU H . 10165 1 95 . 1 1 15 15 LEU CA C 13 54.800 0.300 . 1 . . . . 15 LEU CA . 10165 1 96 . 1 1 15 15 LEU HA H 1 4.403 0.030 . 1 . . . . 15 LEU HA . 10165 1 97 . 1 1 15 15 LEU CB C 13 39.816 0.300 . 1 . . . . 15 LEU CB . 10165 1 98 . 1 1 15 15 LEU HB2 H 1 1.575 0.030 . 2 . . . . 15 LEU HB2 . 10165 1 99 . 1 1 15 15 LEU HB3 H 1 0.378 0.030 . 2 . . . . 15 LEU HB3 . 10165 1 100 . 1 1 15 15 LEU CG C 13 26.131 0.300 . 1 . . . . 15 LEU CG . 10165 1 101 . 1 1 15 15 LEU HG H 1 1.793 0.030 . 1 . . . . 15 LEU HG . 10165 1 102 . 1 1 15 15 LEU CD1 C 13 26.139 0.300 . 2 . . . . 15 LEU CD1 . 10165 1 103 . 1 1 15 15 LEU HD11 H 1 0.728 0.030 . 1 . . . . 15 LEU HD1 . 10165 1 104 . 1 1 15 15 LEU HD12 H 1 0.728 0.030 . 1 . . . . 15 LEU HD1 . 10165 1 105 . 1 1 15 15 LEU HD13 H 1 0.728 0.030 . 1 . . . . 15 LEU HD1 . 10165 1 106 . 1 1 15 15 LEU CD2 C 13 23.197 0.300 . 2 . . . . 15 LEU CD2 . 10165 1 107 . 1 1 15 15 LEU HD21 H 1 0.908 0.030 . 1 . . . . 15 LEU HD2 . 10165 1 108 . 1 1 15 15 LEU HD22 H 1 0.908 0.030 . 1 . . . . 15 LEU HD2 . 10165 1 109 . 1 1 15 15 LEU HD23 H 1 0.908 0.030 . 1 . . . . 15 LEU HD2 . 10165 1 110 . 1 1 15 15 LEU C C 13 177.001 0.300 . 1 . . . . 15 LEU C . 10165 1 111 . 1 1 16 16 ASP N N 15 126.576 0.300 . 1 . . . . 16 ASP N . 10165 1 112 . 1 1 16 16 ASP H H 1 8.766 0.030 . 1 . . . . 16 ASP H . 10165 1 113 . 1 1 16 16 ASP CA C 13 52.828 0.300 . 1 . . . . 16 ASP CA . 10165 1 114 . 1 1 16 16 ASP HA H 1 5.081 0.030 . 1 . . . . 16 ASP HA . 10165 1 115 . 1 1 16 16 ASP CB C 13 42.268 0.300 . 1 . . . . 16 ASP CB . 10165 1 116 . 1 1 16 16 ASP HB2 H 1 2.231 0.030 . 2 . . . . 16 ASP HB2 . 10165 1 117 . 1 1 16 16 ASP HB3 H 1 2.939 0.030 . 2 . . . . 16 ASP HB3 . 10165 1 118 . 1 1 16 16 ASP C C 13 174.640 0.300 . 1 . . . . 16 ASP C . 10165 1 119 . 1 1 17 17 PHE N N 15 112.958 0.300 . 1 . . . . 17 PHE N . 10165 1 120 . 1 1 17 17 PHE H H 1 6.915 0.030 . 1 . . . . 17 PHE H . 10165 1 121 . 1 1 17 17 PHE CA C 13 55.489 0.300 . 1 . . . . 17 PHE CA . 10165 1 122 . 1 1 17 17 PHE HA H 1 4.938 0.030 . 1 . . . . 17 PHE HA . 10165 1 123 . 1 1 17 17 PHE CB C 13 39.154 0.300 . 1 . . . . 17 PHE CB . 10165 1 124 . 1 1 17 17 PHE HB2 H 1 3.669 0.030 . 2 . . . . 17 PHE HB2 . 10165 1 125 . 1 1 17 17 PHE HB3 H 1 3.233 0.030 . 2 . . . . 17 PHE HB3 . 10165 1 126 . 1 1 17 17 PHE CD1 C 13 133.987 0.300 . 1 . . . . 17 PHE CD1 . 10165 1 127 . 1 1 17 17 PHE HD1 H 1 7.446 0.030 . 1 . . . . 17 PHE HD1 . 10165 1 128 . 1 1 17 17 PHE CD2 C 13 133.987 0.300 . 1 . . . . 17 PHE CD2 . 10165 1 129 . 1 1 17 17 PHE HD2 H 1 7.446 0.030 . 1 . . . . 17 PHE HD2 . 10165 1 130 . 1 1 17 17 PHE CE1 C 13 130.899 0.300 . 1 . . . . 17 PHE CE1 . 10165 1 131 . 1 1 17 17 PHE HE1 H 1 7.073 0.030 . 1 . . . . 17 PHE HE1 . 10165 1 132 . 1 1 17 17 PHE CE2 C 13 130.899 0.300 . 1 . . . . 17 PHE CE2 . 10165 1 133 . 1 1 17 17 PHE HE2 H 1 7.073 0.030 . 1 . . . . 17 PHE HE2 . 10165 1 134 . 1 1 17 17 PHE CZ C 13 130.025 0.300 . 1 . . . . 17 PHE CZ . 10165 1 135 . 1 1 17 17 PHE HZ H 1 7.313 0.030 . 1 . . . . 17 PHE HZ . 10165 1 136 . 1 1 17 17 PHE C C 13 173.746 0.300 . 1 . . . . 17 PHE C . 10165 1 137 . 1 1 18 18 SER N N 15 114.977 0.300 . 1 . . . . 18 SER N . 10165 1 138 . 1 1 18 18 SER H H 1 8.569 0.030 . 1 . . . . 18 SER H . 10165 1 139 . 1 1 18 18 SER CA C 13 57.046 0.300 . 1 . . . . 18 SER CA . 10165 1 140 . 1 1 18 18 SER HA H 1 4.670 0.030 . 1 . . . . 18 SER HA . 10165 1 141 . 1 1 18 18 SER CB C 13 63.974 0.300 . 1 . . . . 18 SER CB . 10165 1 142 . 1 1 18 18 SER HB2 H 1 3.937 0.030 . 1 . . . . 18 SER HB2 . 10165 1 143 . 1 1 18 18 SER HB3 H 1 3.937 0.030 . 1 . . . . 18 SER HB3 . 10165 1 144 . 1 1 18 18 SER C C 13 175.437 0.300 . 1 . . . . 18 SER C . 10165 1 145 . 1 1 19 19 GLN N N 15 123.586 0.300 . 1 . . . . 19 GLN N . 10165 1 146 . 1 1 19 19 GLN H H 1 9.033 0.030 . 1 . . . . 19 GLN H . 10165 1 147 . 1 1 19 19 GLN CA C 13 54.023 0.300 . 1 . . . . 19 GLN CA . 10165 1 148 . 1 1 19 19 GLN HA H 1 4.558 0.030 . 1 . . . . 19 GLN HA . 10165 1 149 . 1 1 19 19 GLN CB C 13 27.994 0.300 . 1 . . . . 19 GLN CB . 10165 1 150 . 1 1 19 19 GLN HB2 H 1 2.071 0.030 . 2 . . . . 19 GLN HB2 . 10165 1 151 . 1 1 19 19 GLN HB3 H 1 2.325 0.030 . 2 . . . . 19 GLN HB3 . 10165 1 152 . 1 1 19 19 GLN CG C 13 33.000 0.300 . 1 . . . . 19 GLN CG . 10165 1 153 . 1 1 19 19 GLN HG2 H 1 2.637 0.030 . 1 . . . . 19 GLN HG2 . 10165 1 154 . 1 1 19 19 GLN HG3 H 1 2.637 0.030 . 1 . . . . 19 GLN HG3 . 10165 1 155 . 1 1 19 19 GLN NE2 N 15 112.251 0.300 . 1 . . . . 19 GLN NE2 . 10165 1 156 . 1 1 19 19 GLN HE21 H 1 7.770 0.030 . 2 . . . . 19 GLN HE21 . 10165 1 157 . 1 1 19 19 GLN HE22 H 1 7.039 0.030 . 2 . . . . 19 GLN HE22 . 10165 1 158 . 1 1 19 19 GLN C C 13 177.642 0.300 . 1 . . . . 19 GLN C . 10165 1 159 . 1 1 20 20 PRO CA C 13 65.836 0.300 . 1 . . . . 20 PRO CA . 10165 1 160 . 1 1 20 20 PRO HA H 1 4.370 0.030 . 1 . . . . 20 PRO HA . 10165 1 161 . 1 1 20 20 PRO CB C 13 32.556 0.300 . 1 . . . . 20 PRO CB . 10165 1 162 . 1 1 20 20 PRO HB2 H 1 2.663 0.030 . 2 . . . . 20 PRO HB2 . 10165 1 163 . 1 1 20 20 PRO HB3 H 1 2.520 0.030 . 2 . . . . 20 PRO HB3 . 10165 1 164 . 1 1 20 20 PRO CG C 13 29.100 0.300 . 1 . . . . 20 PRO CG . 10165 1 165 . 1 1 20 20 PRO HG2 H 1 2.372 0.030 . 1 . . . . 20 PRO HG2 . 10165 1 166 . 1 1 20 20 PRO HG3 H 1 2.372 0.030 . 1 . . . . 20 PRO HG3 . 10165 1 167 . 1 1 20 20 PRO CD C 13 50.943 0.300 . 1 . . . . 20 PRO CD . 10165 1 168 . 1 1 20 20 PRO HD2 H 1 3.374 0.030 . 2 . . . . 20 PRO HD2 . 10165 1 169 . 1 1 20 20 PRO HD3 H 1 4.418 0.030 . 2 . . . . 20 PRO HD3 . 10165 1 170 . 1 1 20 20 PRO C C 13 178.374 0.300 . 1 . . . . 20 PRO C . 10165 1 171 . 1 1 21 21 SER N N 15 104.386 0.300 . 1 . . . . 21 SER N . 10165 1 172 . 1 1 21 21 SER H H 1 7.216 0.030 . 1 . . . . 21 SER H . 10165 1 173 . 1 1 21 21 SER CA C 13 58.886 0.300 . 1 . . . . 21 SER CA . 10165 1 174 . 1 1 21 21 SER HA H 1 3.271 0.030 . 1 . . . . 21 SER HA . 10165 1 175 . 1 1 21 21 SER CB C 13 62.401 0.300 . 1 . . . . 21 SER CB . 10165 1 176 . 1 1 21 21 SER HB2 H 1 3.505 0.030 . 2 . . . . 21 SER HB2 . 10165 1 177 . 1 1 21 21 SER HB3 H 1 2.914 0.030 . 2 . . . . 21 SER HB3 . 10165 1 178 . 1 1 21 21 SER C C 13 174.423 0.300 . 1 . . . . 21 SER C . 10165 1 179 . 1 1 22 22 ALA N N 15 123.008 0.300 . 1 . . . . 22 ALA N . 10165 1 180 . 1 1 22 22 ALA H H 1 7.700 0.030 . 1 . . . . 22 ALA H . 10165 1 181 . 1 1 22 22 ALA CA C 13 53.968 0.300 . 1 . . . . 22 ALA CA . 10165 1 182 . 1 1 22 22 ALA HA H 1 4.198 0.030 . 1 . . . . 22 ALA HA . 10165 1 183 . 1 1 22 22 ALA CB C 13 18.504 0.300 . 1 . . . . 22 ALA CB . 10165 1 184 . 1 1 22 22 ALA HB1 H 1 1.527 0.030 . 1 . . . . 22 ALA HB . 10165 1 185 . 1 1 22 22 ALA HB2 H 1 1.527 0.030 . 1 . . . . 22 ALA HB . 10165 1 186 . 1 1 22 22 ALA HB3 H 1 1.527 0.030 . 1 . . . . 22 ALA HB . 10165 1 187 . 1 1 22 22 ALA C C 13 177.624 0.300 . 1 . . . . 22 ALA C . 10165 1 188 . 1 1 23 23 ASP N N 15 117.789 0.300 . 1 . . . . 23 ASP N . 10165 1 189 . 1 1 23 23 ASP H H 1 7.080 0.030 . 1 . . . . 23 ASP H . 10165 1 190 . 1 1 23 23 ASP CA C 13 52.151 0.300 . 1 . . . . 23 ASP CA . 10165 1 191 . 1 1 23 23 ASP HA H 1 4.893 0.030 . 1 . . . . 23 ASP HA . 10165 1 192 . 1 1 23 23 ASP CB C 13 40.592 0.300 . 1 . . . . 23 ASP CB . 10165 1 193 . 1 1 23 23 ASP HB2 H 1 2.484 0.030 . 2 . . . . 23 ASP HB2 . 10165 1 194 . 1 1 23 23 ASP HB3 H 1 3.282 0.030 . 2 . . . . 23 ASP HB3 . 10165 1 195 . 1 1 23 23 ASP C C 13 175.032 0.300 . 1 . . . . 23 ASP C . 10165 1 196 . 1 1 24 24 TYR N N 15 123.295 0.300 . 1 . . . . 24 TYR N . 10165 1 197 . 1 1 24 24 TYR H H 1 8.217 0.030 . 1 . . . . 24 TYR H . 10165 1 198 . 1 1 24 24 TYR CA C 13 61.711 0.300 . 1 . . . . 24 TYR CA . 10165 1 199 . 1 1 24 24 TYR HA H 1 4.196 0.030 . 1 . . . . 24 TYR HA . 10165 1 200 . 1 1 24 24 TYR CB C 13 38.456 0.300 . 1 . . . . 24 TYR CB . 10165 1 201 . 1 1 24 24 TYR HB2 H 1 3.277 0.030 . 2 . . . . 24 TYR HB2 . 10165 1 202 . 1 1 24 24 TYR HB3 H 1 3.017 0.030 . 2 . . . . 24 TYR HB3 . 10165 1 203 . 1 1 24 24 TYR CD1 C 13 133.370 0.300 . 1 . . . . 24 TYR CD1 . 10165 1 204 . 1 1 24 24 TYR HD1 H 1 7.199 0.030 . 1 . . . . 24 TYR HD1 . 10165 1 205 . 1 1 24 24 TYR CD2 C 13 133.370 0.300 . 1 . . . . 24 TYR CD2 . 10165 1 206 . 1 1 24 24 TYR HD2 H 1 7.199 0.030 . 1 . . . . 24 TYR HD2 . 10165 1 207 . 1 1 24 24 TYR CE1 C 13 118.149 0.300 . 1 . . . . 24 TYR CE1 . 10165 1 208 . 1 1 24 24 TYR HE1 H 1 6.871 0.030 . 1 . . . . 24 TYR HE1 . 10165 1 209 . 1 1 24 24 TYR CE2 C 13 118.149 0.300 . 1 . . . . 24 TYR CE2 . 10165 1 210 . 1 1 24 24 TYR HE2 H 1 6.871 0.030 . 1 . . . . 24 TYR HE2 . 10165 1 211 . 1 1 24 24 TYR C C 13 177.434 0.300 . 1 . . . . 24 TYR C . 10165 1 212 . 1 1 25 25 LEU N N 15 119.429 0.300 . 1 . . . . 25 LEU N . 10165 1 213 . 1 1 25 25 LEU H H 1 8.074 0.030 . 1 . . . . 25 LEU H . 10165 1 214 . 1 1 25 25 LEU CA C 13 57.691 0.300 . 1 . . . . 25 LEU CA . 10165 1 215 . 1 1 25 25 LEU HA H 1 3.967 0.030 . 1 . . . . 25 LEU HA . 10165 1 216 . 1 1 25 25 LEU CB C 13 41.388 0.300 . 1 . . . . 25 LEU CB . 10165 1 217 . 1 1 25 25 LEU HB2 H 1 1.716 0.030 . 2 . . . . 25 LEU HB2 . 10165 1 218 . 1 1 25 25 LEU HB3 H 1 1.594 0.030 . 2 . . . . 25 LEU HB3 . 10165 1 219 . 1 1 25 25 LEU CG C 13 27.046 0.300 . 1 . . . . 25 LEU CG . 10165 1 220 . 1 1 25 25 LEU HG H 1 1.618 0.030 . 1 . . . . 25 LEU HG . 10165 1 221 . 1 1 25 25 LEU CD1 C 13 23.846 0.300 . 2 . . . . 25 LEU CD1 . 10165 1 222 . 1 1 25 25 LEU HD11 H 1 0.916 0.030 . 1 . . . . 25 LEU HD1 . 10165 1 223 . 1 1 25 25 LEU HD12 H 1 0.916 0.030 . 1 . . . . 25 LEU HD1 . 10165 1 224 . 1 1 25 25 LEU HD13 H 1 0.916 0.030 . 1 . . . . 25 LEU HD1 . 10165 1 225 . 1 1 25 25 LEU CD2 C 13 24.603 0.300 . 2 . . . . 25 LEU CD2 . 10165 1 226 . 1 1 25 25 LEU HD21 H 1 0.968 0.030 . 1 . . . . 25 LEU HD2 . 10165 1 227 . 1 1 25 25 LEU HD22 H 1 0.968 0.030 . 1 . . . . 25 LEU HD2 . 10165 1 228 . 1 1 25 25 LEU HD23 H 1 0.968 0.030 . 1 . . . . 25 LEU HD2 . 10165 1 229 . 1 1 25 25 LEU C C 13 178.768 0.300 . 1 . . . . 25 LEU C . 10165 1 230 . 1 1 26 26 ASP N N 15 119.881 0.300 . 1 . . . . 26 ASP N . 10165 1 231 . 1 1 26 26 ASP H H 1 7.561 0.030 . 1 . . . . 26 ASP H . 10165 1 232 . 1 1 26 26 ASP CA C 13 57.625 0.300 . 1 . . . . 26 ASP CA . 10165 1 233 . 1 1 26 26 ASP HA H 1 4.367 0.030 . 1 . . . . 26 ASP HA . 10165 1 234 . 1 1 26 26 ASP CB C 13 42.955 0.300 . 1 . . . . 26 ASP CB . 10165 1 235 . 1 1 26 26 ASP HB2 H 1 2.656 0.030 . 2 . . . . 26 ASP HB2 . 10165 1 236 . 1 1 26 26 ASP HB3 H 1 2.616 0.030 . 2 . . . . 26 ASP HB3 . 10165 1 237 . 1 1 26 26 ASP C C 13 177.657 0.300 . 1 . . . . 26 ASP C . 10165 1 238 . 1 1 27 27 PHE N N 15 118.946 0.300 . 1 . . . . 27 PHE N . 10165 1 239 . 1 1 27 27 PHE H H 1 8.750 0.030 . 1 . . . . 27 PHE H . 10165 1 240 . 1 1 27 27 PHE CA C 13 61.323 0.300 . 1 . . . . 27 PHE CA . 10165 1 241 . 1 1 27 27 PHE HA H 1 4.088 0.030 . 1 . . . . 27 PHE HA . 10165 1 242 . 1 1 27 27 PHE CB C 13 39.606 0.300 . 1 . . . . 27 PHE CB . 10165 1 243 . 1 1 27 27 PHE HB2 H 1 3.473 0.030 . 2 . . . . 27 PHE HB2 . 10165 1 244 . 1 1 27 27 PHE HB3 H 1 3.009 0.030 . 2 . . . . 27 PHE HB3 . 10165 1 245 . 1 1 27 27 PHE CD1 C 13 132.091 0.300 . 1 . . . . 27 PHE CD1 . 10165 1 246 . 1 1 27 27 PHE HD1 H 1 7.246 0.030 . 1 . . . . 27 PHE HD1 . 10165 1 247 . 1 1 27 27 PHE CD2 C 13 132.091 0.300 . 1 . . . . 27 PHE CD2 . 10165 1 248 . 1 1 27 27 PHE HD2 H 1 7.246 0.030 . 1 . . . . 27 PHE HD2 . 10165 1 249 . 1 1 27 27 PHE CE1 C 13 128.014 0.300 . 1 . . . . 27 PHE CE1 . 10165 1 250 . 1 1 27 27 PHE HE1 H 1 6.962 0.030 . 1 . . . . 27 PHE HE1 . 10165 1 251 . 1 1 27 27 PHE CE2 C 13 128.014 0.300 . 1 . . . . 27 PHE CE2 . 10165 1 252 . 1 1 27 27 PHE HE2 H 1 6.962 0.030 . 1 . . . . 27 PHE HE2 . 10165 1 253 . 1 1 27 27 PHE CZ C 13 131.042 0.300 . 1 . . . . 27 PHE CZ . 10165 1 254 . 1 1 27 27 PHE HZ H 1 7.253 0.030 . 1 . . . . 27 PHE HZ . 10165 1 255 . 1 1 27 27 PHE C C 13 176.662 0.300 . 1 . . . . 27 PHE C . 10165 1 256 . 1 1 28 28 ARG N N 15 116.744 0.300 . 1 . . . . 28 ARG N . 10165 1 257 . 1 1 28 28 ARG H H 1 8.079 0.030 . 1 . . . . 28 ARG H . 10165 1 258 . 1 1 28 28 ARG CA C 13 59.051 0.300 . 1 . . . . 28 ARG CA . 10165 1 259 . 1 1 28 28 ARG HA H 1 3.590 0.030 . 1 . . . . 28 ARG HA . 10165 1 260 . 1 1 28 28 ARG CB C 13 29.516 0.300 . 1 . . . . 28 ARG CB . 10165 1 261 . 1 1 28 28 ARG HB2 H 1 1.790 0.030 . 1 . . . . 28 ARG HB2 . 10165 1 262 . 1 1 28 28 ARG HB3 H 1 1.790 0.030 . 1 . . . . 28 ARG HB3 . 10165 1 263 . 1 1 28 28 ARG CG C 13 26.863 0.300 . 1 . . . . 28 ARG CG . 10165 1 264 . 1 1 28 28 ARG HG2 H 1 1.456 0.030 . 2 . . . . 28 ARG HG2 . 10165 1 265 . 1 1 28 28 ARG HG3 H 1 1.656 0.030 . 2 . . . . 28 ARG HG3 . 10165 1 266 . 1 1 28 28 ARG CD C 13 43.331 0.300 . 1 . . . . 28 ARG CD . 10165 1 267 . 1 1 28 28 ARG HD2 H 1 3.065 0.030 . 1 . . . . 28 ARG HD2 . 10165 1 268 . 1 1 28 28 ARG HD3 H 1 3.065 0.030 . 1 . . . . 28 ARG HD3 . 10165 1 269 . 1 1 28 28 ARG C C 13 179.306 0.300 . 1 . . . . 28 ARG C . 10165 1 270 . 1 1 29 29 ASN N N 15 119.381 0.300 . 1 . . . . 29 ASN N . 10165 1 271 . 1 1 29 29 ASN H H 1 8.106 0.030 . 1 . . . . 29 ASN H . 10165 1 272 . 1 1 29 29 ASN CA C 13 55.861 0.300 . 1 . . . . 29 ASN CA . 10165 1 273 . 1 1 29 29 ASN HA H 1 4.361 0.030 . 1 . . . . 29 ASN HA . 10165 1 274 . 1 1 29 29 ASN CB C 13 37.622 0.300 . 1 . . . . 29 ASN CB . 10165 1 275 . 1 1 29 29 ASN HB2 H 1 3.062 0.030 . 2 . . . . 29 ASN HB2 . 10165 1 276 . 1 1 29 29 ASN HB3 H 1 2.813 0.030 . 2 . . . . 29 ASN HB3 . 10165 1 277 . 1 1 29 29 ASN ND2 N 15 111.573 0.300 . 1 . . . . 29 ASN ND2 . 10165 1 278 . 1 1 29 29 ASN HD21 H 1 7.709 0.030 . 2 . . . . 29 ASN HD21 . 10165 1 279 . 1 1 29 29 ASN HD22 H 1 6.770 0.030 . 2 . . . . 29 ASN HD22 . 10165 1 280 . 1 1 29 29 ASN C C 13 178.555 0.300 . 1 . . . . 29 ASN C . 10165 1 281 . 1 1 30 30 ARG N N 15 123.244 0.300 . 1 . . . . 30 ARG N . 10165 1 282 . 1 1 30 30 ARG H H 1 8.640 0.030 . 1 . . . . 30 ARG H . 10165 1 283 . 1 1 30 30 ARG CA C 13 59.708 0.300 . 1 . . . . 30 ARG CA . 10165 1 284 . 1 1 30 30 ARG HA H 1 3.912 0.030 . 1 . . . . 30 ARG HA . 10165 1 285 . 1 1 30 30 ARG CB C 13 30.910 0.300 . 1 . . . . 30 ARG CB . 10165 1 286 . 1 1 30 30 ARG HB2 H 1 1.816 0.030 . 2 . . . . 30 ARG HB2 . 10165 1 287 . 1 1 30 30 ARG HB3 H 1 2.224 0.030 . 2 . . . . 30 ARG HB3 . 10165 1 288 . 1 1 30 30 ARG CG C 13 27.502 0.300 . 1 . . . . 30 ARG CG . 10165 1 289 . 1 1 30 30 ARG HG2 H 1 1.648 0.030 . 2 . . . . 30 ARG HG2 . 10165 1 290 . 1 1 30 30 ARG HG3 H 1 1.903 0.030 . 2 . . . . 30 ARG HG3 . 10165 1 291 . 1 1 30 30 ARG CD C 13 45.058 0.300 . 1 . . . . 30 ARG CD . 10165 1 292 . 1 1 30 30 ARG HD2 H 1 3.330 0.030 . 2 . . . . 30 ARG HD2 . 10165 1 293 . 1 1 30 30 ARG HD3 H 1 2.983 0.030 . 2 . . . . 30 ARG HD3 . 10165 1 294 . 1 1 30 30 ARG NE N 15 85.526 0.300 . 1 . . . . 30 ARG NE . 10165 1 295 . 1 1 30 30 ARG HE H 1 7.758 0.030 . 1 . . . . 30 ARG HE . 10165 1 296 . 1 1 30 30 ARG C C 13 178.651 0.300 . 1 . . . . 30 ARG C . 10165 1 297 . 1 1 31 31 LEU N N 15 119.911 0.300 . 1 . . . . 31 LEU N . 10165 1 298 . 1 1 31 31 LEU H H 1 7.988 0.030 . 1 . . . . 31 LEU H . 10165 1 299 . 1 1 31 31 LEU CA C 13 58.049 0.300 . 1 . . . . 31 LEU CA . 10165 1 300 . 1 1 31 31 LEU HA H 1 3.409 0.030 . 1 . . . . 31 LEU HA . 10165 1 301 . 1 1 31 31 LEU CB C 13 41.342 0.300 . 1 . . . . 31 LEU CB . 10165 1 302 . 1 1 31 31 LEU HB2 H 1 1.135 0.030 . 2 . . . . 31 LEU HB2 . 10165 1 303 . 1 1 31 31 LEU HB3 H 1 1.205 0.030 . 2 . . . . 31 LEU HB3 . 10165 1 304 . 1 1 31 31 LEU CG C 13 26.755 0.300 . 1 . . . . 31 LEU CG . 10165 1 305 . 1 1 31 31 LEU HG H 1 1.010 0.030 . 1 . . . . 31 LEU HG . 10165 1 306 . 1 1 31 31 LEU CD1 C 13 24.434 0.300 . 2 . . . . 31 LEU CD1 . 10165 1 307 . 1 1 31 31 LEU HD11 H 1 0.312 0.030 . 1 . . . . 31 LEU HD1 . 10165 1 308 . 1 1 31 31 LEU HD12 H 1 0.312 0.030 . 1 . . . . 31 LEU HD1 . 10165 1 309 . 1 1 31 31 LEU HD13 H 1 0.312 0.030 . 1 . . . . 31 LEU HD1 . 10165 1 310 . 1 1 31 31 LEU CD2 C 13 24.466 0.300 . 2 . . . . 31 LEU CD2 . 10165 1 311 . 1 1 31 31 LEU HD21 H 1 0.199 0.030 . 1 . . . . 31 LEU HD2 . 10165 1 312 . 1 1 31 31 LEU HD22 H 1 0.199 0.030 . 1 . . . . 31 LEU HD2 . 10165 1 313 . 1 1 31 31 LEU HD23 H 1 0.199 0.030 . 1 . . . . 31 LEU HD2 . 10165 1 314 . 1 1 31 31 LEU C C 13 178.698 0.300 . 1 . . . . 31 LEU C . 10165 1 315 . 1 1 32 32 GLN N N 15 114.904 0.300 . 1 . . . . 32 GLN N . 10165 1 316 . 1 1 32 32 GLN H H 1 7.416 0.030 . 1 . . . . 32 GLN H . 10165 1 317 . 1 1 32 32 GLN CA C 13 58.019 0.300 . 1 . . . . 32 GLN CA . 10165 1 318 . 1 1 32 32 GLN HA H 1 3.891 0.030 . 1 . . . . 32 GLN HA . 10165 1 319 . 1 1 32 32 GLN CB C 13 28.679 0.300 . 1 . . . . 32 GLN CB . 10165 1 320 . 1 1 32 32 GLN HB2 H 1 2.039 0.030 . 1 . . . . 32 GLN HB2 . 10165 1 321 . 1 1 32 32 GLN HB3 H 1 2.039 0.030 . 1 . . . . 32 GLN HB3 . 10165 1 322 . 1 1 32 32 GLN CG C 13 33.865 0.300 . 1 . . . . 32 GLN CG . 10165 1 323 . 1 1 32 32 GLN HG2 H 1 2.316 0.030 . 2 . . . . 32 GLN HG2 . 10165 1 324 . 1 1 32 32 GLN HG3 H 1 2.420 0.030 . 2 . . . . 32 GLN HG3 . 10165 1 325 . 1 1 32 32 GLN NE2 N 15 111.557 0.300 . 1 . . . . 32 GLN NE2 . 10165 1 326 . 1 1 32 32 GLN HE21 H 1 7.395 0.030 . 2 . . . . 32 GLN HE21 . 10165 1 327 . 1 1 32 32 GLN HE22 H 1 6.836 0.030 . 2 . . . . 32 GLN HE22 . 10165 1 328 . 1 1 32 32 GLN C C 13 176.457 0.300 . 1 . . . . 32 GLN C . 10165 1 329 . 1 1 33 33 ALA N N 15 119.088 0.300 . 1 . . . . 33 ALA N . 10165 1 330 . 1 1 33 33 ALA H H 1 7.791 0.030 . 1 . . . . 33 ALA H . 10165 1 331 . 1 1 33 33 ALA CA C 13 54.057 0.300 . 1 . . . . 33 ALA CA . 10165 1 332 . 1 1 33 33 ALA HA H 1 4.099 0.030 . 1 . . . . 33 ALA HA . 10165 1 333 . 1 1 33 33 ALA CB C 13 19.921 0.300 . 1 . . . . 33 ALA CB . 10165 1 334 . 1 1 33 33 ALA HB1 H 1 1.356 0.030 . 1 . . . . 33 ALA HB . 10165 1 335 . 1 1 33 33 ALA HB2 H 1 1.356 0.030 . 1 . . . . 33 ALA HB . 10165 1 336 . 1 1 33 33 ALA HB3 H 1 1.356 0.030 . 1 . . . . 33 ALA HB . 10165 1 337 . 1 1 33 33 ALA C C 13 178.303 0.300 . 1 . . . . 33 ALA C . 10165 1 338 . 1 1 34 34 ASP N N 15 115.377 0.300 . 1 . . . . 34 ASP N . 10165 1 339 . 1 1 34 34 ASP H H 1 8.662 0.030 . 1 . . . . 34 ASP H . 10165 1 340 . 1 1 34 34 ASP CA C 13 55.153 0.300 . 1 . . . . 34 ASP CA . 10165 1 341 . 1 1 34 34 ASP HA H 1 4.698 0.030 . 1 . . . . 34 ASP HA . 10165 1 342 . 1 1 34 34 ASP CB C 13 41.976 0.300 . 1 . . . . 34 ASP CB . 10165 1 343 . 1 1 34 34 ASP HB2 H 1 3.097 0.030 . 2 . . . . 34 ASP HB2 . 10165 1 344 . 1 1 34 34 ASP HB3 H 1 2.926 0.030 . 2 . . . . 34 ASP HB3 . 10165 1 345 . 1 1 34 34 ASP C C 13 177.531 0.300 . 1 . . . . 34 ASP C . 10165 1 346 . 1 1 35 35 HIS N N 15 108.110 0.300 . 1 . . . . 35 HIS N . 10165 1 347 . 1 1 35 35 HIS H H 1 7.018 0.030 . 1 . . . . 35 HIS H . 10165 1 348 . 1 1 35 35 HIS CA C 13 58.336 0.300 . 1 . . . . 35 HIS CA . 10165 1 349 . 1 1 35 35 HIS HA H 1 4.543 0.030 . 1 . . . . 35 HIS HA . 10165 1 350 . 1 1 35 35 HIS CB C 13 26.472 0.300 . 1 . . . . 35 HIS CB . 10165 1 351 . 1 1 35 35 HIS HB2 H 1 3.370 0.030 . 2 . . . . 35 HIS HB2 . 10165 1 352 . 1 1 35 35 HIS HB3 H 1 2.983 0.030 . 2 . . . . 35 HIS HB3 . 10165 1 353 . 1 1 35 35 HIS CD2 C 13 121.886 0.300 . 1 . . . . 35 HIS CD2 . 10165 1 354 . 1 1 35 35 HIS HD2 H 1 6.300 0.030 . 1 . . . . 35 HIS HD2 . 10165 1 355 . 1 1 35 35 HIS CE1 C 13 137.246 0.300 . 1 . . . . 35 HIS CE1 . 10165 1 356 . 1 1 35 35 HIS HE1 H 1 8.318 0.030 . 1 . . . . 35 HIS HE1 . 10165 1 357 . 1 1 35 35 HIS C C 13 171.507 0.300 . 1 . . . . 35 HIS C . 10165 1 358 . 1 1 36 36 VAL N N 15 115.529 0.300 . 1 . . . . 36 VAL N . 10165 1 359 . 1 1 36 36 VAL H H 1 7.065 0.030 . 1 . . . . 36 VAL H . 10165 1 360 . 1 1 36 36 VAL CA C 13 58.549 0.300 . 1 . . . . 36 VAL CA . 10165 1 361 . 1 1 36 36 VAL HA H 1 4.867 0.030 . 1 . . . . 36 VAL HA . 10165 1 362 . 1 1 36 36 VAL CB C 13 33.135 0.300 . 1 . . . . 36 VAL CB . 10165 1 363 . 1 1 36 36 VAL HB H 1 2.201 0.030 . 1 . . . . 36 VAL HB . 10165 1 364 . 1 1 36 36 VAL CG1 C 13 17.674 0.300 . 2 . . . . 36 VAL CG1 . 10165 1 365 . 1 1 36 36 VAL HG11 H 1 0.833 0.030 . 1 . . . . 36 VAL HG1 . 10165 1 366 . 1 1 36 36 VAL HG12 H 1 0.833 0.030 . 1 . . . . 36 VAL HG1 . 10165 1 367 . 1 1 36 36 VAL HG13 H 1 0.833 0.030 . 1 . . . . 36 VAL HG1 . 10165 1 368 . 1 1 36 36 VAL CG2 C 13 22.696 0.300 . 2 . . . . 36 VAL CG2 . 10165 1 369 . 1 1 36 36 VAL HG21 H 1 0.611 0.030 . 1 . . . . 36 VAL HG2 . 10165 1 370 . 1 1 36 36 VAL HG22 H 1 0.611 0.030 . 1 . . . . 36 VAL HG2 . 10165 1 371 . 1 1 36 36 VAL HG23 H 1 0.611 0.030 . 1 . . . . 36 VAL HG2 . 10165 1 372 . 1 1 36 36 VAL C C 13 171.953 0.300 . 1 . . . . 36 VAL C . 10165 1 373 . 1 1 37 37 CYS N N 15 124.685 0.300 . 1 . . . . 37 CYS N . 10165 1 374 . 1 1 37 37 CYS H H 1 8.694 0.030 . 1 . . . . 37 CYS H . 10165 1 375 . 1 1 37 37 CYS CA C 13 59.979 0.300 . 1 . . . . 37 CYS CA . 10165 1 376 . 1 1 37 37 CYS HA H 1 4.594 0.030 . 1 . . . . 37 CYS HA . 10165 1 377 . 1 1 37 37 CYS CB C 13 29.016 0.300 . 1 . . . . 37 CYS CB . 10165 1 378 . 1 1 37 37 CYS HB2 H 1 2.396 0.030 . 2 . . . . 37 CYS HB2 . 10165 1 379 . 1 1 37 37 CYS HB3 H 1 2.084 0.030 . 2 . . . . 37 CYS HB3 . 10165 1 380 . 1 1 37 37 CYS C C 13 173.445 0.300 . 1 . . . . 37 CYS C . 10165 1 381 . 1 1 38 38 LEU N N 15 132.291 0.300 . 1 . . . . 38 LEU N . 10165 1 382 . 1 1 38 38 LEU H H 1 9.625 0.030 . 1 . . . . 38 LEU H . 10165 1 383 . 1 1 38 38 LEU CA C 13 57.958 0.300 . 1 . . . . 38 LEU CA . 10165 1 384 . 1 1 38 38 LEU HA H 1 4.167 0.030 . 1 . . . . 38 LEU HA . 10165 1 385 . 1 1 38 38 LEU CB C 13 42.189 0.300 . 1 . . . . 38 LEU CB . 10165 1 386 . 1 1 38 38 LEU HB2 H 1 2.030 0.030 . 2 . . . . 38 LEU HB2 . 10165 1 387 . 1 1 38 38 LEU HB3 H 1 1.230 0.030 . 2 . . . . 38 LEU HB3 . 10165 1 388 . 1 1 38 38 LEU CG C 13 26.785 0.300 . 1 . . . . 38 LEU CG . 10165 1 389 . 1 1 38 38 LEU HG H 1 1.349 0.030 . 1 . . . . 38 LEU HG . 10165 1 390 . 1 1 38 38 LEU CD1 C 13 24.473 0.300 . 2 . . . . 38 LEU CD1 . 10165 1 391 . 1 1 38 38 LEU HD11 H 1 1.040 0.030 . 1 . . . . 38 LEU HD1 . 10165 1 392 . 1 1 38 38 LEU HD12 H 1 1.040 0.030 . 1 . . . . 38 LEU HD1 . 10165 1 393 . 1 1 38 38 LEU HD13 H 1 1.040 0.030 . 1 . . . . 38 LEU HD1 . 10165 1 394 . 1 1 38 38 LEU CD2 C 13 25.516 0.300 . 2 . . . . 38 LEU CD2 . 10165 1 395 . 1 1 38 38 LEU HD21 H 1 0.080 0.030 . 1 . . . . 38 LEU HD2 . 10165 1 396 . 1 1 38 38 LEU HD22 H 1 0.080 0.030 . 1 . . . . 38 LEU HD2 . 10165 1 397 . 1 1 38 38 LEU HD23 H 1 0.080 0.030 . 1 . . . . 38 LEU HD2 . 10165 1 398 . 1 1 38 38 LEU C C 13 173.188 0.300 . 1 . . . . 38 LEU C . 10165 1 399 . 1 1 39 39 GLU N N 15 127.988 0.300 . 1 . . . . 39 GLU N . 10165 1 400 . 1 1 39 39 GLU H H 1 9.267 0.030 . 1 . . . . 39 GLU H . 10165 1 401 . 1 1 39 39 GLU CA C 13 57.435 0.300 . 1 . . . . 39 GLU CA . 10165 1 402 . 1 1 39 39 GLU HA H 1 4.521 0.030 . 1 . . . . 39 GLU HA . 10165 1 403 . 1 1 39 39 GLU CB C 13 31.891 0.300 . 1 . . . . 39 GLU CB . 10165 1 404 . 1 1 39 39 GLU HB2 H 1 2.365 0.030 . 2 . . . . 39 GLU HB2 . 10165 1 405 . 1 1 39 39 GLU HB3 H 1 1.753 0.030 . 2 . . . . 39 GLU HB3 . 10165 1 406 . 1 1 39 39 GLU CG C 13 36.196 0.300 . 1 . . . . 39 GLU CG . 10165 1 407 . 1 1 39 39 GLU HG2 H 1 1.953 0.030 . 2 . . . . 39 GLU HG2 . 10165 1 408 . 1 1 39 39 GLU HG3 H 1 1.751 0.030 . 2 . . . . 39 GLU HG3 . 10165 1 409 . 1 1 39 39 GLU C C 13 175.300 0.300 . 1 . . . . 39 GLU C . 10165 1 410 . 1 1 40 40 ASN N N 15 115.109 0.300 . 1 . . . . 40 ASN N . 10165 1 411 . 1 1 40 40 ASN H H 1 7.757 0.030 . 1 . . . . 40 ASN H . 10165 1 412 . 1 1 40 40 ASN CA C 13 52.151 0.300 . 1 . . . . 40 ASN CA . 10165 1 413 . 1 1 40 40 ASN HA H 1 5.353 0.030 . 1 . . . . 40 ASN HA . 10165 1 414 . 1 1 40 40 ASN CB C 13 43.324 0.300 . 1 . . . . 40 ASN CB . 10165 1 415 . 1 1 40 40 ASN HB2 H 1 2.610 0.030 . 2 . . . . 40 ASN HB2 . 10165 1 416 . 1 1 40 40 ASN HB3 H 1 2.565 0.030 . 2 . . . . 40 ASN HB3 . 10165 1 417 . 1 1 40 40 ASN ND2 N 15 112.904 0.300 . 1 . . . . 40 ASN ND2 . 10165 1 418 . 1 1 40 40 ASN HD21 H 1 7.449 0.030 . 2 . . . . 40 ASN HD21 . 10165 1 419 . 1 1 40 40 ASN HD22 H 1 6.602 0.030 . 2 . . . . 40 ASN HD22 . 10165 1 420 . 1 1 40 40 ASN C C 13 173.918 0.300 . 1 . . . . 40 ASN C . 10165 1 421 . 1 1 41 41 CYS N N 15 120.861 0.300 . 1 . . . . 41 CYS N . 10165 1 422 . 1 1 41 41 CYS H H 1 9.646 0.030 . 1 . . . . 41 CYS H . 10165 1 423 . 1 1 41 41 CYS CA C 13 58.934 0.300 . 1 . . . . 41 CYS CA . 10165 1 424 . 1 1 41 41 CYS HA H 1 5.167 0.030 . 1 . . . . 41 CYS HA . 10165 1 425 . 1 1 41 41 CYS CB C 13 30.293 0.300 . 1 . . . . 41 CYS CB . 10165 1 426 . 1 1 41 41 CYS HB2 H 1 3.052 0.030 . 2 . . . . 41 CYS HB2 . 10165 1 427 . 1 1 41 41 CYS HB3 H 1 2.983 0.030 . 2 . . . . 41 CYS HB3 . 10165 1 428 . 1 1 41 41 CYS C C 13 171.600 0.300 . 1 . . . . 41 CYS C . 10165 1 429 . 1 1 42 42 VAL N N 15 126.721 0.300 . 1 . . . . 42 VAL N . 10165 1 430 . 1 1 42 42 VAL H H 1 9.532 0.030 . 1 . . . . 42 VAL H . 10165 1 431 . 1 1 42 42 VAL CA C 13 60.463 0.300 . 1 . . . . 42 VAL CA . 10165 1 432 . 1 1 42 42 VAL HA H 1 4.454 0.030 . 1 . . . . 42 VAL HA . 10165 1 433 . 1 1 42 42 VAL CB C 13 35.496 0.300 . 1 . . . . 42 VAL CB . 10165 1 434 . 1 1 42 42 VAL HB H 1 1.976 0.030 . 1 . . . . 42 VAL HB . 10165 1 435 . 1 1 42 42 VAL CG1 C 13 20.875 0.300 . 2 . . . . 42 VAL CG1 . 10165 1 436 . 1 1 42 42 VAL HG11 H 1 0.854 0.030 . 1 . . . . 42 VAL HG1 . 10165 1 437 . 1 1 42 42 VAL HG12 H 1 0.854 0.030 . 1 . . . . 42 VAL HG1 . 10165 1 438 . 1 1 42 42 VAL HG13 H 1 0.854 0.030 . 1 . . . . 42 VAL HG1 . 10165 1 439 . 1 1 42 42 VAL CG2 C 13 20.451 0.300 . 2 . . . . 42 VAL CG2 . 10165 1 440 . 1 1 42 42 VAL HG21 H 1 0.850 0.030 . 1 . . . . 42 VAL HG2 . 10165 1 441 . 1 1 42 42 VAL HG22 H 1 0.850 0.030 . 1 . . . . 42 VAL HG2 . 10165 1 442 . 1 1 42 42 VAL HG23 H 1 0.850 0.030 . 1 . . . . 42 VAL HG2 . 10165 1 443 . 1 1 42 42 VAL C C 13 173.645 0.300 . 1 . . . . 42 VAL C . 10165 1 444 . 1 1 43 43 LEU N N 15 127.183 0.300 . 1 . . . . 43 LEU N . 10165 1 445 . 1 1 43 43 LEU H H 1 8.597 0.030 . 1 . . . . 43 LEU H . 10165 1 446 . 1 1 43 43 LEU CA C 13 54.209 0.300 . 1 . . . . 43 LEU CA . 10165 1 447 . 1 1 43 43 LEU HA H 1 5.050 0.030 . 1 . . . . 43 LEU HA . 10165 1 448 . 1 1 43 43 LEU CB C 13 43.450 0.300 . 1 . . . . 43 LEU CB . 10165 1 449 . 1 1 43 43 LEU HB2 H 1 1.783 0.030 . 2 . . . . 43 LEU HB2 . 10165 1 450 . 1 1 43 43 LEU HB3 H 1 1.437 0.030 . 2 . . . . 43 LEU HB3 . 10165 1 451 . 1 1 43 43 LEU CG C 13 27.718 0.300 . 1 . . . . 43 LEU CG . 10165 1 452 . 1 1 43 43 LEU HG H 1 1.579 0.030 . 1 . . . . 43 LEU HG . 10165 1 453 . 1 1 43 43 LEU CD1 C 13 25.754 0.300 . 2 . . . . 43 LEU CD1 . 10165 1 454 . 1 1 43 43 LEU HD11 H 1 0.806 0.030 . 1 . . . . 43 LEU HD1 . 10165 1 455 . 1 1 43 43 LEU HD12 H 1 0.806 0.030 . 1 . . . . 43 LEU HD1 . 10165 1 456 . 1 1 43 43 LEU HD13 H 1 0.806 0.030 . 1 . . . . 43 LEU HD1 . 10165 1 457 . 1 1 43 43 LEU CD2 C 13 25.396 0.300 . 2 . . . . 43 LEU CD2 . 10165 1 458 . 1 1 43 43 LEU HD21 H 1 0.832 0.030 . 1 . . . . 43 LEU HD2 . 10165 1 459 . 1 1 43 43 LEU HD22 H 1 0.832 0.030 . 1 . . . . 43 LEU HD2 . 10165 1 460 . 1 1 43 43 LEU HD23 H 1 0.832 0.030 . 1 . . . . 43 LEU HD2 . 10165 1 461 . 1 1 43 43 LEU C C 13 176.151 0.300 . 1 . . . . 43 LEU C . 10165 1 462 . 1 1 44 44 LYS N N 15 127.086 0.300 . 1 . . . . 44 LYS N . 10165 1 463 . 1 1 44 44 LYS H H 1 8.726 0.030 . 1 . . . . 44 LYS H . 10165 1 464 . 1 1 44 44 LYS CA C 13 55.033 0.300 . 1 . . . . 44 LYS CA . 10165 1 465 . 1 1 44 44 LYS HA H 1 4.552 0.030 . 1 . . . . 44 LYS HA . 10165 1 466 . 1 1 44 44 LYS CB C 13 34.147 0.300 . 1 . . . . 44 LYS CB . 10165 1 467 . 1 1 44 44 LYS HB2 H 1 1.842 0.030 . 2 . . . . 44 LYS HB2 . 10165 1 468 . 1 1 44 44 LYS HB3 H 1 1.565 0.030 . 2 . . . . 44 LYS HB3 . 10165 1 469 . 1 1 44 44 LYS CG C 13 24.629 0.300 . 1 . . . . 44 LYS CG . 10165 1 470 . 1 1 44 44 LYS HG2 H 1 1.290 0.030 . 1 . . . . 44 LYS HG2 . 10165 1 471 . 1 1 44 44 LYS HG3 H 1 1.290 0.030 . 1 . . . . 44 LYS HG3 . 10165 1 472 . 1 1 44 44 LYS CD C 13 29.270 0.300 . 1 . . . . 44 LYS CD . 10165 1 473 . 1 1 44 44 LYS HD2 H 1 1.586 0.030 . 1 . . . . 44 LYS HD2 . 10165 1 474 . 1 1 44 44 LYS HD3 H 1 1.586 0.030 . 1 . . . . 44 LYS HD3 . 10165 1 475 . 1 1 44 44 LYS CE C 13 41.958 0.300 . 1 . . . . 44 LYS CE . 10165 1 476 . 1 1 44 44 LYS HE2 H 1 2.831 0.030 . 1 . . . . 44 LYS HE2 . 10165 1 477 . 1 1 44 44 LYS HE3 H 1 2.831 0.030 . 1 . . . . 44 LYS HE3 . 10165 1 478 . 1 1 44 44 LYS C C 13 175.176 0.300 . 1 . . . . 44 LYS C . 10165 1 479 . 1 1 45 45 ASP N N 15 123.045 0.300 . 1 . . . . 45 ASP N . 10165 1 480 . 1 1 45 45 ASP H H 1 8.876 0.030 . 1 . . . . 45 ASP H . 10165 1 481 . 1 1 45 45 ASP CA C 13 56.515 0.300 . 1 . . . . 45 ASP CA . 10165 1 482 . 1 1 45 45 ASP HA H 1 4.321 0.030 . 1 . . . . 45 ASP HA . 10165 1 483 . 1 1 45 45 ASP CB C 13 39.782 0.300 . 1 . . . . 45 ASP CB . 10165 1 484 . 1 1 45 45 ASP HB2 H 1 2.693 0.030 . 2 . . . . 45 ASP HB2 . 10165 1 485 . 1 1 45 45 ASP HB3 H 1 2.819 0.030 . 2 . . . . 45 ASP HB3 . 10165 1 486 . 1 1 45 45 ASP C C 13 175.339 0.300 . 1 . . . . 45 ASP C . 10165 1 487 . 1 1 46 46 LYS N N 15 118.201 0.300 . 1 . . . . 46 LYS N . 10165 1 488 . 1 1 46 46 LYS H H 1 8.620 0.030 . 1 . . . . 46 LYS H . 10165 1 489 . 1 1 46 46 LYS CA C 13 56.158 0.300 . 1 . . . . 46 LYS CA . 10165 1 490 . 1 1 46 46 LYS HA H 1 4.079 0.030 . 1 . . . . 46 LYS HA . 10165 1 491 . 1 1 46 46 LYS CB C 13 30.929 0.300 . 1 . . . . 46 LYS CB . 10165 1 492 . 1 1 46 46 LYS HB2 H 1 2.095 0.030 . 2 . . . . 46 LYS HB2 . 10165 1 493 . 1 1 46 46 LYS HB3 H 1 1.808 0.030 . 2 . . . . 46 LYS HB3 . 10165 1 494 . 1 1 46 46 LYS CG C 13 25.068 0.300 . 1 . . . . 46 LYS CG . 10165 1 495 . 1 1 46 46 LYS HG2 H 1 1.459 0.030 . 2 . . . . 46 LYS HG2 . 10165 1 496 . 1 1 46 46 LYS HG3 H 1 1.359 0.030 . 2 . . . . 46 LYS HG3 . 10165 1 497 . 1 1 46 46 LYS CD C 13 29.107 0.300 . 1 . . . . 46 LYS CD . 10165 1 498 . 1 1 46 46 LYS HD2 H 1 1.721 0.030 . 2 . . . . 46 LYS HD2 . 10165 1 499 . 1 1 46 46 LYS HD3 H 1 1.653 0.030 . 2 . . . . 46 LYS HD3 . 10165 1 500 . 1 1 46 46 LYS CE C 13 42.262 0.300 . 1 . . . . 46 LYS CE . 10165 1 501 . 1 1 46 46 LYS HE2 H 1 2.956 0.030 . 1 . . . . 46 LYS HE2 . 10165 1 502 . 1 1 46 46 LYS HE3 H 1 2.956 0.030 . 1 . . . . 46 LYS HE3 . 10165 1 503 . 1 1 46 46 LYS C C 13 174.615 0.300 . 1 . . . . 46 LYS C . 10165 1 504 . 1 1 47 47 ALA N N 15 121.283 0.300 . 1 . . . . 47 ALA N . 10165 1 505 . 1 1 47 47 ALA H H 1 7.611 0.030 . 1 . . . . 47 ALA H . 10165 1 506 . 1 1 47 47 ALA CA C 13 51.809 0.300 . 1 . . . . 47 ALA CA . 10165 1 507 . 1 1 47 47 ALA HA H 1 5.105 0.030 . 1 . . . . 47 ALA HA . 10165 1 508 . 1 1 47 47 ALA CB C 13 22.739 0.300 . 1 . . . . 47 ALA CB . 10165 1 509 . 1 1 47 47 ALA HB1 H 1 1.269 0.030 . 1 . . . . 47 ALA HB . 10165 1 510 . 1 1 47 47 ALA HB2 H 1 1.269 0.030 . 1 . . . . 47 ALA HB . 10165 1 511 . 1 1 47 47 ALA HB3 H 1 1.269 0.030 . 1 . . . . 47 ALA HB . 10165 1 512 . 1 1 47 47 ALA C C 13 175.508 0.300 . 1 . . . . 47 ALA C . 10165 1 513 . 1 1 48 48 ILE N N 15 114.639 0.300 . 1 . . . . 48 ILE N . 10165 1 514 . 1 1 48 48 ILE H H 1 8.819 0.030 . 1 . . . . 48 ILE H . 10165 1 515 . 1 1 48 48 ILE CA C 13 59.017 0.300 . 1 . . . . 48 ILE CA . 10165 1 516 . 1 1 48 48 ILE HA H 1 5.230 0.030 . 1 . . . . 48 ILE HA . 10165 1 517 . 1 1 48 48 ILE CB C 13 41.811 0.300 . 1 . . . . 48 ILE CB . 10165 1 518 . 1 1 48 48 ILE HB H 1 1.591 0.030 . 1 . . . . 48 ILE HB . 10165 1 519 . 1 1 48 48 ILE CG1 C 13 26.919 0.300 . 1 . . . . 48 ILE CG1 . 10165 1 520 . 1 1 48 48 ILE HG12 H 1 1.583 0.030 . 2 . . . . 48 ILE HG12 . 10165 1 521 . 1 1 48 48 ILE HG13 H 1 0.831 0.030 . 2 . . . . 48 ILE HG13 . 10165 1 522 . 1 1 48 48 ILE CG2 C 13 18.107 0.300 . 1 . . . . 48 ILE CG2 . 10165 1 523 . 1 1 48 48 ILE HG21 H 1 0.794 0.030 . 1 . . . . 48 ILE HG2 . 10165 1 524 . 1 1 48 48 ILE HG22 H 1 0.794 0.030 . 1 . . . . 48 ILE HG2 . 10165 1 525 . 1 1 48 48 ILE HG23 H 1 0.794 0.030 . 1 . . . . 48 ILE HG2 . 10165 1 526 . 1 1 48 48 ILE CD1 C 13 14.432 0.300 . 1 . . . . 48 ILE CD1 . 10165 1 527 . 1 1 48 48 ILE HD11 H 1 0.494 0.030 . 1 . . . . 48 ILE HD1 . 10165 1 528 . 1 1 48 48 ILE HD12 H 1 0.494 0.030 . 1 . . . . 48 ILE HD1 . 10165 1 529 . 1 1 48 48 ILE HD13 H 1 0.494 0.030 . 1 . . . . 48 ILE HD1 . 10165 1 530 . 1 1 48 48 ILE C C 13 172.954 0.300 . 1 . . . . 48 ILE C . 10165 1 531 . 1 1 49 49 ALA N N 15 126.155 0.300 . 1 . . . . 49 ALA N . 10165 1 532 . 1 1 49 49 ALA H H 1 8.652 0.030 . 1 . . . . 49 ALA H . 10165 1 533 . 1 1 49 49 ALA CA C 13 50.095 0.300 . 1 . . . . 49 ALA CA . 10165 1 534 . 1 1 49 49 ALA HA H 1 4.769 0.030 . 1 . . . . 49 ALA HA . 10165 1 535 . 1 1 49 49 ALA CB C 13 22.651 0.300 . 1 . . . . 49 ALA CB . 10165 1 536 . 1 1 49 49 ALA HB1 H 1 1.224 0.030 . 1 . . . . 49 ALA HB . 10165 1 537 . 1 1 49 49 ALA HB2 H 1 1.224 0.030 . 1 . . . . 49 ALA HB . 10165 1 538 . 1 1 49 49 ALA HB3 H 1 1.224 0.030 . 1 . . . . 49 ALA HB . 10165 1 539 . 1 1 49 49 ALA C C 13 175.812 0.300 . 1 . . . . 49 ALA C . 10165 1 540 . 1 1 50 50 GLY N N 15 105.980 0.300 . 1 . . . . 50 GLY N . 10165 1 541 . 1 1 50 50 GLY H H 1 6.754 0.030 . 1 . . . . 50 GLY H . 10165 1 542 . 1 1 50 50 GLY CA C 13 46.134 0.300 . 1 . . . . 50 GLY CA . 10165 1 543 . 1 1 50 50 GLY HA2 H 1 3.803 0.030 . 2 . . . . 50 GLY HA2 . 10165 1 544 . 1 1 50 50 GLY HA3 H 1 4.077 0.030 . 2 . . . . 50 GLY HA3 . 10165 1 545 . 1 1 50 50 GLY C C 13 172.510 0.300 . 1 . . . . 50 GLY C . 10165 1 546 . 1 1 51 51 THR N N 15 108.648 0.300 . 1 . . . . 51 THR N . 10165 1 547 . 1 1 51 51 THR H H 1 8.556 0.030 . 1 . . . . 51 THR H . 10165 1 548 . 1 1 51 51 THR CA C 13 59.116 0.300 . 1 . . . . 51 THR CA . 10165 1 549 . 1 1 51 51 THR HA H 1 5.588 0.030 . 1 . . . . 51 THR HA . 10165 1 550 . 1 1 51 51 THR CB C 13 72.737 0.300 . 1 . . . . 51 THR CB . 10165 1 551 . 1 1 51 51 THR HB H 1 4.182 0.030 . 1 . . . . 51 THR HB . 10165 1 552 . 1 1 51 51 THR CG2 C 13 23.607 0.300 . 1 . . . . 51 THR CG2 . 10165 1 553 . 1 1 51 51 THR HG21 H 1 1.008 0.030 . 1 . . . . 51 THR HG2 . 10165 1 554 . 1 1 51 51 THR HG22 H 1 1.008 0.030 . 1 . . . . 51 THR HG2 . 10165 1 555 . 1 1 51 51 THR HG23 H 1 1.008 0.030 . 1 . . . . 51 THR HG2 . 10165 1 556 . 1 1 51 51 THR C C 13 174.087 0.300 . 1 . . . . 51 THR C . 10165 1 557 . 1 1 52 52 VAL N N 15 122.025 0.300 . 1 . . . . 52 VAL N . 10165 1 558 . 1 1 52 52 VAL H H 1 9.746 0.030 . 1 . . . . 52 VAL H . 10165 1 559 . 1 1 52 52 VAL CA C 13 61.371 0.300 . 1 . . . . 52 VAL CA . 10165 1 560 . 1 1 52 52 VAL HA H 1 4.463 0.030 . 1 . . . . 52 VAL HA . 10165 1 561 . 1 1 52 52 VAL CB C 13 36.986 0.300 . 1 . . . . 52 VAL CB . 10165 1 562 . 1 1 52 52 VAL HB H 1 1.848 0.030 . 1 . . . . 52 VAL HB . 10165 1 563 . 1 1 52 52 VAL CG1 C 13 22.835 0.300 . 2 . . . . 52 VAL CG1 . 10165 1 564 . 1 1 52 52 VAL HG11 H 1 0.750 0.030 . 1 . . . . 52 VAL HG1 . 10165 1 565 . 1 1 52 52 VAL HG12 H 1 0.750 0.030 . 1 . . . . 52 VAL HG1 . 10165 1 566 . 1 1 52 52 VAL HG13 H 1 0.750 0.030 . 1 . . . . 52 VAL HG1 . 10165 1 567 . 1 1 52 52 VAL CG2 C 13 21.840 0.300 . 2 . . . . 52 VAL CG2 . 10165 1 568 . 1 1 52 52 VAL HG21 H 1 0.991 0.030 . 1 . . . . 52 VAL HG2 . 10165 1 569 . 1 1 52 52 VAL HG22 H 1 0.991 0.030 . 1 . . . . 52 VAL HG2 . 10165 1 570 . 1 1 52 52 VAL HG23 H 1 0.991 0.030 . 1 . . . . 52 VAL HG2 . 10165 1 571 . 1 1 52 52 VAL C C 13 174.687 0.300 . 1 . . . . 52 VAL C . 10165 1 572 . 1 1 53 53 LYS N N 15 125.115 0.300 . 1 . . . . 53 LYS N . 10165 1 573 . 1 1 53 53 LYS H H 1 8.567 0.030 . 1 . . . . 53 LYS H . 10165 1 574 . 1 1 53 53 LYS CA C 13 53.668 0.300 . 1 . . . . 53 LYS CA . 10165 1 575 . 1 1 53 53 LYS HA H 1 5.599 0.030 . 1 . . . . 53 LYS HA . 10165 1 576 . 1 1 53 53 LYS CB C 13 37.855 0.300 . 1 . . . . 53 LYS CB . 10165 1 577 . 1 1 53 53 LYS HB2 H 1 1.616 0.030 . 2 . . . . 53 LYS HB2 . 10165 1 578 . 1 1 53 53 LYS HB3 H 1 1.905 0.030 . 2 . . . . 53 LYS HB3 . 10165 1 579 . 1 1 53 53 LYS CG C 13 26.129 0.300 . 1 . . . . 53 LYS CG . 10165 1 580 . 1 1 53 53 LYS HG2 H 1 1.544 0.030 . 2 . . . . 53 LYS HG2 . 10165 1 581 . 1 1 53 53 LYS HG3 H 1 1.613 0.030 . 2 . . . . 53 LYS HG3 . 10165 1 582 . 1 1 53 53 LYS CD C 13 29.620 0.300 . 1 . . . . 53 LYS CD . 10165 1 583 . 1 1 53 53 LYS HD2 H 1 1.788 0.030 . 2 . . . . 53 LYS HD2 . 10165 1 584 . 1 1 53 53 LYS HD3 H 1 1.550 0.030 . 2 . . . . 53 LYS HD3 . 10165 1 585 . 1 1 53 53 LYS CE C 13 42.625 0.300 . 1 . . . . 53 LYS CE . 10165 1 586 . 1 1 53 53 LYS HE2 H 1 2.827 0.030 . 2 . . . . 53 LYS HE2 . 10165 1 587 . 1 1 53 53 LYS HE3 H 1 2.931 0.030 . 2 . . . . 53 LYS HE3 . 10165 1 588 . 1 1 53 53 LYS C C 13 174.697 0.300 . 1 . . . . 53 LYS C . 10165 1 589 . 1 1 54 54 VAL N N 15 110.661 0.300 . 1 . . . . 54 VAL N . 10165 1 590 . 1 1 54 54 VAL H H 1 8.498 0.030 . 1 . . . . 54 VAL H . 10165 1 591 . 1 1 54 54 VAL CA C 13 57.682 0.300 . 1 . . . . 54 VAL CA . 10165 1 592 . 1 1 54 54 VAL HA H 1 4.825 0.030 . 1 . . . . 54 VAL HA . 10165 1 593 . 1 1 54 54 VAL CB C 13 34.634 0.300 . 1 . . . . 54 VAL CB . 10165 1 594 . 1 1 54 54 VAL HB H 1 1.565 0.030 . 1 . . . . 54 VAL HB . 10165 1 595 . 1 1 54 54 VAL CG1 C 13 21.565 0.300 . 2 . . . . 54 VAL CG1 . 10165 1 596 . 1 1 54 54 VAL HG11 H 1 -0.068 0.030 . 1 . . . . 54 VAL HG1 . 10165 1 597 . 1 1 54 54 VAL HG12 H 1 -0.068 0.030 . 1 . . . . 54 VAL HG1 . 10165 1 598 . 1 1 54 54 VAL HG13 H 1 -0.068 0.030 . 1 . . . . 54 VAL HG1 . 10165 1 599 . 1 1 54 54 VAL CG2 C 13 19.462 0.300 . 2 . . . . 54 VAL CG2 . 10165 1 600 . 1 1 54 54 VAL HG21 H 1 0.496 0.030 . 1 . . . . 54 VAL HG2 . 10165 1 601 . 1 1 54 54 VAL HG22 H 1 0.496 0.030 . 1 . . . . 54 VAL HG2 . 10165 1 602 . 1 1 54 54 VAL HG23 H 1 0.496 0.030 . 1 . . . . 54 VAL HG2 . 10165 1 603 . 1 1 54 54 VAL C C 13 176.105 0.300 . 1 . . . . 54 VAL C . 10165 1 604 . 1 1 55 55 GLN N N 15 119.414 0.300 . 1 . . . . 55 GLN N . 10165 1 605 . 1 1 55 55 GLN H H 1 7.924 0.030 . 1 . . . . 55 GLN H . 10165 1 606 . 1 1 55 55 GLN CA C 13 56.023 0.300 . 1 . . . . 55 GLN CA . 10165 1 607 . 1 1 55 55 GLN HA H 1 4.456 0.030 . 1 . . . . 55 GLN HA . 10165 1 608 . 1 1 55 55 GLN CB C 13 30.216 0.300 . 1 . . . . 55 GLN CB . 10165 1 609 . 1 1 55 55 GLN HB2 H 1 1.989 0.030 . 1 . . . . 55 GLN HB2 . 10165 1 610 . 1 1 55 55 GLN HB3 H 1 1.989 0.030 . 1 . . . . 55 GLN HB3 . 10165 1 611 . 1 1 55 55 GLN CG C 13 34.547 0.300 . 1 . . . . 55 GLN CG . 10165 1 612 . 1 1 55 55 GLN HG2 H 1 2.157 0.030 . 2 . . . . 55 GLN HG2 . 10165 1 613 . 1 1 55 55 GLN HG3 H 1 2.339 0.030 . 2 . . . . 55 GLN HG3 . 10165 1 614 . 1 1 55 55 GLN NE2 N 15 112.661 0.300 . 1 . . . . 55 GLN NE2 . 10165 1 615 . 1 1 55 55 GLN HE21 H 1 6.862 0.030 . 2 . . . . 55 GLN HE21 . 10165 1 616 . 1 1 55 55 GLN HE22 H 1 7.671 0.030 . 2 . . . . 55 GLN HE22 . 10165 1 617 . 1 1 55 55 GLN C C 13 176.800 0.300 . 1 . . . . 55 GLN C . 10165 1 618 . 1 1 56 56 ASN N N 15 125.676 0.300 . 1 . . . . 56 ASN N . 10165 1 619 . 1 1 56 56 ASN H H 1 8.837 0.030 . 1 . . . . 56 ASN H . 10165 1 620 . 1 1 56 56 ASN CA C 13 53.190 0.300 . 1 . . . . 56 ASN CA . 10165 1 621 . 1 1 56 56 ASN HA H 1 4.575 0.030 . 1 . . . . 56 ASN HA . 10165 1 622 . 1 1 56 56 ASN CB C 13 36.855 0.300 . 1 . . . . 56 ASN CB . 10165 1 623 . 1 1 56 56 ASN HB2 H 1 2.970 0.030 . 2 . . . . 56 ASN HB2 . 10165 1 624 . 1 1 56 56 ASN HB3 H 1 2.531 0.030 . 2 . . . . 56 ASN HB3 . 10165 1 625 . 1 1 56 56 ASN ND2 N 15 110.959 0.300 . 1 . . . . 56 ASN ND2 . 10165 1 626 . 1 1 56 56 ASN HD21 H 1 6.713 0.030 . 2 . . . . 56 ASN HD21 . 10165 1 627 . 1 1 56 56 ASN HD22 H 1 7.755 0.030 . 2 . . . . 56 ASN HD22 . 10165 1 628 . 1 1 56 56 ASN C C 13 174.747 0.300 . 1 . . . . 56 ASN C . 10165 1 629 . 1 1 57 57 LEU N N 15 124.779 0.300 . 1 . . . . 57 LEU N . 10165 1 630 . 1 1 57 57 LEU H H 1 7.284 0.030 . 1 . . . . 57 LEU H . 10165 1 631 . 1 1 57 57 LEU CA C 13 55.224 0.300 . 1 . . . . 57 LEU CA . 10165 1 632 . 1 1 57 57 LEU HA H 1 4.326 0.030 . 1 . . . . 57 LEU HA . 10165 1 633 . 1 1 57 57 LEU CB C 13 43.634 0.300 . 1 . . . . 57 LEU CB . 10165 1 634 . 1 1 57 57 LEU HB2 H 1 1.931 0.030 . 2 . . . . 57 LEU HB2 . 10165 1 635 . 1 1 57 57 LEU HB3 H 1 1.519 0.030 . 2 . . . . 57 LEU HB3 . 10165 1 636 . 1 1 57 57 LEU CG C 13 27.061 0.300 . 1 . . . . 57 LEU CG . 10165 1 637 . 1 1 57 57 LEU HG H 1 1.459 0.030 . 1 . . . . 57 LEU HG . 10165 1 638 . 1 1 57 57 LEU CD1 C 13 25.248 0.300 . 2 . . . . 57 LEU CD1 . 10165 1 639 . 1 1 57 57 LEU HD11 H 1 0.553 0.030 . 1 . . . . 57 LEU HD1 . 10165 1 640 . 1 1 57 57 LEU HD12 H 1 0.553 0.030 . 1 . . . . 57 LEU HD1 . 10165 1 641 . 1 1 57 57 LEU HD13 H 1 0.553 0.030 . 1 . . . . 57 LEU HD1 . 10165 1 642 . 1 1 57 57 LEU CD2 C 13 22.323 0.300 . 2 . . . . 57 LEU CD2 . 10165 1 643 . 1 1 57 57 LEU HD21 H 1 0.703 0.030 . 1 . . . . 57 LEU HD2 . 10165 1 644 . 1 1 57 57 LEU HD22 H 1 0.703 0.030 . 1 . . . . 57 LEU HD2 . 10165 1 645 . 1 1 57 57 LEU HD23 H 1 0.703 0.030 . 1 . . . . 57 LEU HD2 . 10165 1 646 . 1 1 57 57 LEU C C 13 176.186 0.300 . 1 . . . . 57 LEU C . 10165 1 647 . 1 1 58 58 ALA N N 15 119.342 0.300 . 1 . . . . 58 ALA N . 10165 1 648 . 1 1 58 58 ALA H H 1 7.724 0.030 . 1 . . . . 58 ALA H . 10165 1 649 . 1 1 58 58 ALA CA C 13 51.687 0.300 . 1 . . . . 58 ALA CA . 10165 1 650 . 1 1 58 58 ALA HA H 1 4.343 0.030 . 1 . . . . 58 ALA HA . 10165 1 651 . 1 1 58 58 ALA CB C 13 21.122 0.300 . 1 . . . . 58 ALA CB . 10165 1 652 . 1 1 58 58 ALA HB1 H 1 1.376 0.030 . 1 . . . . 58 ALA HB . 10165 1 653 . 1 1 58 58 ALA HB2 H 1 1.376 0.030 . 1 . . . . 58 ALA HB . 10165 1 654 . 1 1 58 58 ALA HB3 H 1 1.376 0.030 . 1 . . . . 58 ALA HB . 10165 1 655 . 1 1 58 58 ALA C C 13 175.847 0.300 . 1 . . . . 58 ALA C . 10165 1 656 . 1 1 59 59 PHE N N 15 118.235 0.300 . 1 . . . . 59 PHE N . 10165 1 657 . 1 1 59 59 PHE H H 1 8.231 0.030 . 1 . . . . 59 PHE H . 10165 1 658 . 1 1 59 59 PHE CA C 13 60.105 0.300 . 1 . . . . 59 PHE CA . 10165 1 659 . 1 1 59 59 PHE HA H 1 4.428 0.030 . 1 . . . . 59 PHE HA . 10165 1 660 . 1 1 59 59 PHE CB C 13 40.386 0.300 . 1 . . . . 59 PHE CB . 10165 1 661 . 1 1 59 59 PHE HB2 H 1 3.116 0.030 . 2 . . . . 59 PHE HB2 . 10165 1 662 . 1 1 59 59 PHE HB3 H 1 3.150 0.030 . 2 . . . . 59 PHE HB3 . 10165 1 663 . 1 1 59 59 PHE CD1 C 13 131.770 0.300 . 1 . . . . 59 PHE CD1 . 10165 1 664 . 1 1 59 59 PHE HD1 H 1 7.277 0.030 . 1 . . . . 59 PHE HD1 . 10165 1 665 . 1 1 59 59 PHE CD2 C 13 131.770 0.300 . 1 . . . . 59 PHE CD2 . 10165 1 666 . 1 1 59 59 PHE HD2 H 1 7.277 0.030 . 1 . . . . 59 PHE HD2 . 10165 1 667 . 1 1 59 59 PHE CE1 C 13 131.648 0.300 . 1 . . . . 59 PHE CE1 . 10165 1 668 . 1 1 59 59 PHE HE1 H 1 7.361 0.030 . 1 . . . . 59 PHE HE1 . 10165 1 669 . 1 1 59 59 PHE CE2 C 13 131.648 0.300 . 1 . . . . 59 PHE CE2 . 10165 1 670 . 1 1 59 59 PHE HE2 H 1 7.361 0.030 . 1 . . . . 59 PHE HE2 . 10165 1 671 . 1 1 59 59 PHE CZ C 13 130.050 0.300 . 1 . . . . 59 PHE CZ . 10165 1 672 . 1 1 59 59 PHE HZ H 1 7.293 0.030 . 1 . . . . 59 PHE HZ . 10165 1 673 . 1 1 59 59 PHE C C 13 176.670 0.300 . 1 . . . . 59 PHE C . 10165 1 674 . 1 1 60 60 GLU N N 15 120.295 0.300 . 1 . . . . 60 GLU N . 10165 1 675 . 1 1 60 60 GLU H H 1 8.482 0.030 . 1 . . . . 60 GLU H . 10165 1 676 . 1 1 60 60 GLU CA C 13 57.134 0.300 . 1 . . . . 60 GLU CA . 10165 1 677 . 1 1 60 60 GLU HA H 1 4.306 0.030 . 1 . . . . 60 GLU HA . 10165 1 678 . 1 1 60 60 GLU CB C 13 29.569 0.300 . 1 . . . . 60 GLU CB . 10165 1 679 . 1 1 60 60 GLU HB2 H 1 2.050 0.030 . 1 . . . . 60 GLU HB2 . 10165 1 680 . 1 1 60 60 GLU HB3 H 1 2.050 0.030 . 1 . . . . 60 GLU HB3 . 10165 1 681 . 1 1 60 60 GLU CG C 13 36.387 0.300 . 1 . . . . 60 GLU CG . 10165 1 682 . 1 1 60 60 GLU HG2 H 1 2.336 0.030 . 1 . . . . 60 GLU HG2 . 10165 1 683 . 1 1 60 60 GLU HG3 H 1 2.336 0.030 . 1 . . . . 60 GLU HG3 . 10165 1 684 . 1 1 60 60 GLU C C 13 175.584 0.300 . 1 . . . . 60 GLU C . 10165 1 685 . 1 1 61 61 LYS N N 15 123.512 0.300 . 1 . . . . 61 LYS N . 10165 1 686 . 1 1 61 61 LYS H H 1 8.377 0.030 . 1 . . . . 61 LYS H . 10165 1 687 . 1 1 61 61 LYS CA C 13 55.939 0.300 . 1 . . . . 61 LYS CA . 10165 1 688 . 1 1 61 61 LYS HA H 1 5.038 0.030 . 1 . . . . 61 LYS HA . 10165 1 689 . 1 1 61 61 LYS CB C 13 37.890 0.300 . 1 . . . . 61 LYS CB . 10165 1 690 . 1 1 61 61 LYS HB2 H 1 2.008 0.030 . 2 . . . . 61 LYS HB2 . 10165 1 691 . 1 1 61 61 LYS HB3 H 1 1.822 0.030 . 2 . . . . 61 LYS HB3 . 10165 1 692 . 1 1 61 61 LYS CG C 13 24.765 0.300 . 1 . . . . 61 LYS CG . 10165 1 693 . 1 1 61 61 LYS HG2 H 1 1.806 0.030 . 2 . . . . 61 LYS HG2 . 10165 1 694 . 1 1 61 61 LYS HG3 H 1 1.729 0.030 . 2 . . . . 61 LYS HG3 . 10165 1 695 . 1 1 61 61 LYS CD C 13 29.963 0.300 . 1 . . . . 61 LYS CD . 10165 1 696 . 1 1 61 61 LYS HD2 H 1 1.851 0.030 . 2 . . . . 61 LYS HD2 . 10165 1 697 . 1 1 61 61 LYS HD3 H 1 2.006 0.030 . 2 . . . . 61 LYS HD3 . 10165 1 698 . 1 1 61 61 LYS CE C 13 42.773 0.300 . 1 . . . . 61 LYS CE . 10165 1 699 . 1 1 61 61 LYS HE2 H 1 3.303 0.030 . 1 . . . . 61 LYS HE2 . 10165 1 700 . 1 1 61 61 LYS HE3 H 1 3.303 0.030 . 1 . . . . 61 LYS HE3 . 10165 1 701 . 1 1 61 61 LYS C C 13 175.510 0.300 . 1 . . . . 61 LYS C . 10165 1 702 . 1 1 62 62 THR N N 15 117.107 0.300 . 1 . . . . 62 THR N . 10165 1 703 . 1 1 62 62 THR H H 1 8.285 0.030 . 1 . . . . 62 THR H . 10165 1 704 . 1 1 62 62 THR CA C 13 62.340 0.300 . 1 . . . . 62 THR CA . 10165 1 705 . 1 1 62 62 THR HA H 1 4.435 0.030 . 1 . . . . 62 THR HA . 10165 1 706 . 1 1 62 62 THR CB C 13 71.605 0.300 . 1 . . . . 62 THR CB . 10165 1 707 . 1 1 62 62 THR HB H 1 4.074 0.030 . 1 . . . . 62 THR HB . 10165 1 708 . 1 1 62 62 THR CG2 C 13 22.048 0.300 . 1 . . . . 62 THR CG2 . 10165 1 709 . 1 1 62 62 THR HG21 H 1 1.184 0.030 . 1 . . . . 62 THR HG2 . 10165 1 710 . 1 1 62 62 THR HG22 H 1 1.184 0.030 . 1 . . . . 62 THR HG2 . 10165 1 711 . 1 1 62 62 THR HG23 H 1 1.184 0.030 . 1 . . . . 62 THR HG2 . 10165 1 712 . 1 1 62 62 THR C C 13 172.156 0.300 . 1 . . . . 62 THR C . 10165 1 713 . 1 1 63 63 VAL N N 15 128.402 0.300 . 1 . . . . 63 VAL N . 10165 1 714 . 1 1 63 63 VAL H H 1 8.719 0.030 . 1 . . . . 63 VAL H . 10165 1 715 . 1 1 63 63 VAL CA C 13 60.707 0.300 . 1 . . . . 63 VAL CA . 10165 1 716 . 1 1 63 63 VAL HA H 1 4.755 0.030 . 1 . . . . 63 VAL HA . 10165 1 717 . 1 1 63 63 VAL CB C 13 35.210 0.300 . 1 . . . . 63 VAL CB . 10165 1 718 . 1 1 63 63 VAL HB H 1 0.823 0.030 . 1 . . . . 63 VAL HB . 10165 1 719 . 1 1 63 63 VAL CG1 C 13 21.428 0.300 . 2 . . . . 63 VAL CG1 . 10165 1 720 . 1 1 63 63 VAL HG11 H 1 0.459 0.030 . 1 . . . . 63 VAL HG1 . 10165 1 721 . 1 1 63 63 VAL HG12 H 1 0.459 0.030 . 1 . . . . 63 VAL HG1 . 10165 1 722 . 1 1 63 63 VAL HG13 H 1 0.459 0.030 . 1 . . . . 63 VAL HG1 . 10165 1 723 . 1 1 63 63 VAL CG2 C 13 21.820 0.300 . 2 . . . . 63 VAL CG2 . 10165 1 724 . 1 1 63 63 VAL HG21 H 1 -0.328 0.030 . 1 . . . . 63 VAL HG2 . 10165 1 725 . 1 1 63 63 VAL HG22 H 1 -0.328 0.030 . 1 . . . . 63 VAL HG2 . 10165 1 726 . 1 1 63 63 VAL HG23 H 1 -0.328 0.030 . 1 . . . . 63 VAL HG2 . 10165 1 727 . 1 1 63 63 VAL C C 13 174.313 0.300 . 1 . . . . 63 VAL C . 10165 1 728 . 1 1 64 64 LYS N N 15 123.629 0.300 . 1 . . . . 64 LYS N . 10165 1 729 . 1 1 64 64 LYS H H 1 8.519 0.030 . 1 . . . . 64 LYS H . 10165 1 730 . 1 1 64 64 LYS CA C 13 54.850 0.300 . 1 . . . . 64 LYS CA . 10165 1 731 . 1 1 64 64 LYS HA H 1 4.997 0.030 . 1 . . . . 64 LYS HA . 10165 1 732 . 1 1 64 64 LYS CB C 13 37.343 0.300 . 1 . . . . 64 LYS CB . 10165 1 733 . 1 1 64 64 LYS HB2 H 1 1.097 0.030 . 2 . . . . 64 LYS HB2 . 10165 1 734 . 1 1 64 64 LYS HB3 H 1 0.530 0.030 . 2 . . . . 64 LYS HB3 . 10165 1 735 . 1 1 64 64 LYS CG C 13 25.895 0.300 . 1 . . . . 64 LYS CG . 10165 1 736 . 1 1 64 64 LYS HG2 H 1 1.107 0.030 . 2 . . . . 64 LYS HG2 . 10165 1 737 . 1 1 64 64 LYS HG3 H 1 0.878 0.030 . 2 . . . . 64 LYS HG3 . 10165 1 738 . 1 1 64 64 LYS CD C 13 30.155 0.300 . 1 . . . . 64 LYS CD . 10165 1 739 . 1 1 64 64 LYS HD2 H 1 1.434 0.030 . 2 . . . . 64 LYS HD2 . 10165 1 740 . 1 1 64 64 LYS HD3 H 1 1.326 0.030 . 2 . . . . 64 LYS HD3 . 10165 1 741 . 1 1 64 64 LYS CE C 13 42.546 0.300 . 1 . . . . 64 LYS CE . 10165 1 742 . 1 1 64 64 LYS HE2 H 1 2.706 0.030 . 1 . . . . 64 LYS HE2 . 10165 1 743 . 1 1 64 64 LYS HE3 H 1 2.706 0.030 . 1 . . . . 64 LYS HE3 . 10165 1 744 . 1 1 64 64 LYS C C 13 173.348 0.300 . 1 . . . . 64 LYS C . 10165 1 745 . 1 1 65 65 ILE N N 15 119.250 0.300 . 1 . . . . 65 ILE N . 10165 1 746 . 1 1 65 65 ILE H H 1 8.637 0.030 . 1 . . . . 65 ILE H . 10165 1 747 . 1 1 65 65 ILE CA C 13 57.894 0.300 . 1 . . . . 65 ILE CA . 10165 1 748 . 1 1 65 65 ILE HA H 1 4.451 0.030 . 1 . . . . 65 ILE HA . 10165 1 749 . 1 1 65 65 ILE CB C 13 37.638 0.300 . 1 . . . . 65 ILE CB . 10165 1 750 . 1 1 65 65 ILE HB H 1 1.714 0.030 . 1 . . . . 65 ILE HB . 10165 1 751 . 1 1 65 65 ILE CG1 C 13 26.633 0.300 . 1 . . . . 65 ILE CG1 . 10165 1 752 . 1 1 65 65 ILE HG12 H 1 0.044 0.030 . 2 . . . . 65 ILE HG12 . 10165 1 753 . 1 1 65 65 ILE HG13 H 1 0.850 0.030 . 2 . . . . 65 ILE HG13 . 10165 1 754 . 1 1 65 65 ILE CG2 C 13 17.604 0.300 . 1 . . . . 65 ILE CG2 . 10165 1 755 . 1 1 65 65 ILE HG21 H 1 0.332 0.030 . 1 . . . . 65 ILE HG2 . 10165 1 756 . 1 1 65 65 ILE HG22 H 1 0.332 0.030 . 1 . . . . 65 ILE HG2 . 10165 1 757 . 1 1 65 65 ILE HG23 H 1 0.332 0.030 . 1 . . . . 65 ILE HG2 . 10165 1 758 . 1 1 65 65 ILE CD1 C 13 10.340 0.300 . 1 . . . . 65 ILE CD1 . 10165 1 759 . 1 1 65 65 ILE HD11 H 1 -0.195 0.030 . 1 . . . . 65 ILE HD1 . 10165 1 760 . 1 1 65 65 ILE HD12 H 1 -0.195 0.030 . 1 . . . . 65 ILE HD1 . 10165 1 761 . 1 1 65 65 ILE HD13 H 1 -0.195 0.030 . 1 . . . . 65 ILE HD1 . 10165 1 762 . 1 1 65 65 ILE C C 13 174.893 0.300 . 1 . . . . 65 ILE C . 10165 1 763 . 1 1 66 66 ARG N N 15 130.193 0.300 . 1 . . . . 66 ARG N . 10165 1 764 . 1 1 66 66 ARG H H 1 9.244 0.030 . 1 . . . . 66 ARG H . 10165 1 765 . 1 1 66 66 ARG CA C 13 55.930 0.300 . 1 . . . . 66 ARG CA . 10165 1 766 . 1 1 66 66 ARG HA H 1 5.440 0.030 . 1 . . . . 66 ARG HA . 10165 1 767 . 1 1 66 66 ARG CB C 13 31.514 0.300 . 1 . . . . 66 ARG CB . 10165 1 768 . 1 1 66 66 ARG HB2 H 1 1.996 0.030 . 2 . . . . 66 ARG HB2 . 10165 1 769 . 1 1 66 66 ARG HB3 H 1 2.103 0.030 . 2 . . . . 66 ARG HB3 . 10165 1 770 . 1 1 66 66 ARG CG C 13 26.619 0.300 . 1 . . . . 66 ARG CG . 10165 1 771 . 1 1 66 66 ARG HG2 H 1 1.791 0.030 . 2 . . . . 66 ARG HG2 . 10165 1 772 . 1 1 66 66 ARG HG3 H 1 1.644 0.030 . 2 . . . . 66 ARG HG3 . 10165 1 773 . 1 1 66 66 ARG CD C 13 42.911 0.300 . 1 . . . . 66 ARG CD . 10165 1 774 . 1 1 66 66 ARG HD2 H 1 2.798 0.030 . 2 . . . . 66 ARG HD2 . 10165 1 775 . 1 1 66 66 ARG HD3 H 1 1.948 0.030 . 2 . . . . 66 ARG HD3 . 10165 1 776 . 1 1 66 66 ARG NE N 15 86.499 0.300 . 1 . . . . 66 ARG NE . 10165 1 777 . 1 1 66 66 ARG HE H 1 9.891 0.030 . 1 . . . . 66 ARG HE . 10165 1 778 . 1 1 66 66 ARG C C 13 174.161 0.300 . 1 . . . . 66 ARG C . 10165 1 779 . 1 1 67 67 MET N N 15 128.046 0.300 . 1 . . . . 67 MET N . 10165 1 780 . 1 1 67 67 MET H H 1 9.343 0.030 . 1 . . . . 67 MET H . 10165 1 781 . 1 1 67 67 MET CA C 13 54.217 0.300 . 1 . . . . 67 MET CA . 10165 1 782 . 1 1 67 67 MET HA H 1 5.318 0.030 . 1 . . . . 67 MET HA . 10165 1 783 . 1 1 67 67 MET CB C 13 37.533 0.300 . 1 . . . . 67 MET CB . 10165 1 784 . 1 1 67 67 MET HB2 H 1 2.138 0.030 . 2 . . . . 67 MET HB2 . 10165 1 785 . 1 1 67 67 MET HB3 H 1 1.724 0.030 . 2 . . . . 67 MET HB3 . 10165 1 786 . 1 1 67 67 MET CG C 13 32.149 0.300 . 1 . . . . 67 MET CG . 10165 1 787 . 1 1 67 67 MET HG2 H 1 1.728 0.030 . 2 . . . . 67 MET HG2 . 10165 1 788 . 1 1 67 67 MET HG3 H 1 2.012 0.030 . 2 . . . . 67 MET HG3 . 10165 1 789 . 1 1 67 67 MET CE C 13 17.831 0.300 . 1 . . . . 67 MET CE . 10165 1 790 . 1 1 67 67 MET HE1 H 1 1.545 0.030 . 1 . . . . 67 MET HE . 10165 1 791 . 1 1 67 67 MET HE2 H 1 1.545 0.030 . 1 . . . . 67 MET HE . 10165 1 792 . 1 1 67 67 MET HE3 H 1 1.545 0.030 . 1 . . . . 67 MET HE . 10165 1 793 . 1 1 67 67 MET C C 13 173.432 0.300 . 1 . . . . 67 MET C . 10165 1 794 . 1 1 68 68 THR N N 15 118.404 0.300 . 1 . . . . 68 THR N . 10165 1 795 . 1 1 68 68 THR H H 1 8.474 0.030 . 1 . . . . 68 THR H . 10165 1 796 . 1 1 68 68 THR CA C 13 58.903 0.300 . 1 . . . . 68 THR CA . 10165 1 797 . 1 1 68 68 THR HA H 1 3.948 0.030 . 1 . . . . 68 THR HA . 10165 1 798 . 1 1 68 68 THR CB C 13 71.091 0.300 . 1 . . . . 68 THR CB . 10165 1 799 . 1 1 68 68 THR HB H 1 2.695 0.030 . 1 . . . . 68 THR HB . 10165 1 800 . 1 1 68 68 THR CG2 C 13 16.523 0.300 . 1 . . . . 68 THR CG2 . 10165 1 801 . 1 1 68 68 THR HG21 H 1 -0.300 0.030 . 1 . . . . 68 THR HG2 . 10165 1 802 . 1 1 68 68 THR HG22 H 1 -0.300 0.030 . 1 . . . . 68 THR HG2 . 10165 1 803 . 1 1 68 68 THR HG23 H 1 -0.300 0.030 . 1 . . . . 68 THR HG2 . 10165 1 804 . 1 1 68 68 THR C C 13 170.783 0.300 . 1 . . . . 68 THR C . 10165 1 805 . 1 1 69 69 PHE N N 15 124.029 0.300 . 1 . . . . 69 PHE N . 10165 1 806 . 1 1 69 69 PHE H H 1 8.910 0.030 . 1 . . . . 69 PHE H . 10165 1 807 . 1 1 69 69 PHE CA C 13 55.772 0.300 . 1 . . . . 69 PHE CA . 10165 1 808 . 1 1 69 69 PHE HA H 1 4.783 0.030 . 1 . . . . 69 PHE HA . 10165 1 809 . 1 1 69 69 PHE CB C 13 39.748 0.300 . 1 . . . . 69 PHE CB . 10165 1 810 . 1 1 69 69 PHE HB2 H 1 3.334 0.030 . 2 . . . . 69 PHE HB2 . 10165 1 811 . 1 1 69 69 PHE HB3 H 1 2.619 0.030 . 2 . . . . 69 PHE HB3 . 10165 1 812 . 1 1 69 69 PHE CD1 C 13 132.120 0.300 . 1 . . . . 69 PHE CD1 . 10165 1 813 . 1 1 69 69 PHE HD1 H 1 7.122 0.030 . 1 . . . . 69 PHE HD1 . 10165 1 814 . 1 1 69 69 PHE CD2 C 13 132.120 0.300 . 1 . . . . 69 PHE CD2 . 10165 1 815 . 1 1 69 69 PHE HD2 H 1 7.122 0.030 . 1 . . . . 69 PHE HD2 . 10165 1 816 . 1 1 69 69 PHE CE1 C 13 130.701 0.300 . 1 . . . . 69 PHE CE1 . 10165 1 817 . 1 1 69 69 PHE HE1 H 1 7.256 0.030 . 1 . . . . 69 PHE HE1 . 10165 1 818 . 1 1 69 69 PHE CE2 C 13 130.701 0.300 . 1 . . . . 69 PHE CE2 . 10165 1 819 . 1 1 69 69 PHE HE2 H 1 7.256 0.030 . 1 . . . . 69 PHE HE2 . 10165 1 820 . 1 1 69 69 PHE CZ C 13 128.972 0.300 . 1 . . . . 69 PHE CZ . 10165 1 821 . 1 1 69 69 PHE HZ H 1 7.217 0.030 . 1 . . . . 69 PHE HZ . 10165 1 822 . 1 1 69 69 PHE C C 13 174.951 0.300 . 1 . . . . 69 PHE C . 10165 1 823 . 1 1 70 70 ASP N N 15 121.457 0.300 . 1 . . . . 70 ASP N . 10165 1 824 . 1 1 70 70 ASP H H 1 8.841 0.030 . 1 . . . . 70 ASP H . 10165 1 825 . 1 1 70 70 ASP CA C 13 52.288 0.300 . 1 . . . . 70 ASP CA . 10165 1 826 . 1 1 70 70 ASP HA H 1 4.661 0.030 . 1 . . . . 70 ASP HA . 10165 1 827 . 1 1 70 70 ASP CB C 13 40.026 0.300 . 1 . . . . 70 ASP CB . 10165 1 828 . 1 1 70 70 ASP HB2 H 1 2.850 0.030 . 2 . . . . 70 ASP HB2 . 10165 1 829 . 1 1 70 70 ASP HB3 H 1 2.362 0.030 . 2 . . . . 70 ASP HB3 . 10165 1 830 . 1 1 70 70 ASP C C 13 177.065 0.300 . 1 . . . . 70 ASP C . 10165 1 831 . 1 1 71 71 THR N N 15 114.661 0.300 . 1 . . . . 71 THR N . 10165 1 832 . 1 1 71 71 THR H H 1 8.724 0.030 . 1 . . . . 71 THR H . 10165 1 833 . 1 1 71 71 THR CA C 13 63.824 0.300 . 1 . . . . 71 THR CA . 10165 1 834 . 1 1 71 71 THR HA H 1 3.181 0.030 . 1 . . . . 71 THR HA . 10165 1 835 . 1 1 71 71 THR CB C 13 66.535 0.300 . 1 . . . . 71 THR CB . 10165 1 836 . 1 1 71 71 THR HB H 1 4.632 0.030 . 1 . . . . 71 THR HB . 10165 1 837 . 1 1 71 71 THR CG2 C 13 25.281 0.300 . 1 . . . . 71 THR CG2 . 10165 1 838 . 1 1 71 71 THR HG21 H 1 1.458 0.030 . 1 . . . . 71 THR HG2 . 10165 1 839 . 1 1 71 71 THR HG22 H 1 1.458 0.030 . 1 . . . . 71 THR HG2 . 10165 1 840 . 1 1 71 71 THR HG23 H 1 1.458 0.030 . 1 . . . . 71 THR HG2 . 10165 1 841 . 1 1 71 71 THR C C 13 173.648 0.300 . 1 . . . . 71 THR C . 10165 1 842 . 1 1 72 72 TRP N N 15 111.097 0.300 . 1 . . . . 72 TRP N . 10165 1 843 . 1 1 72 72 TRP H H 1 8.854 0.030 . 1 . . . . 72 TRP H . 10165 1 844 . 1 1 72 72 TRP CA C 13 58.910 0.300 . 1 . . . . 72 TRP CA . 10165 1 845 . 1 1 72 72 TRP HA H 1 3.951 0.030 . 1 . . . . 72 TRP HA . 10165 1 846 . 1 1 72 72 TRP CB C 13 24.332 0.300 . 1 . . . . 72 TRP CB . 10165 1 847 . 1 1 72 72 TRP HB2 H 1 3.612 0.030 . 1 . . . . 72 TRP HB2 . 10165 1 848 . 1 1 72 72 TRP HB3 H 1 3.612 0.030 . 1 . . . . 72 TRP HB3 . 10165 1 849 . 1 1 72 72 TRP CD1 C 13 126.908 0.300 . 1 . . . . 72 TRP CD1 . 10165 1 850 . 1 1 72 72 TRP HD1 H 1 6.897 0.030 . 1 . . . . 72 TRP HD1 . 10165 1 851 . 1 1 72 72 TRP NE1 N 15 132.501 0.300 . 1 . . . . 72 TRP NE1 . 10165 1 852 . 1 1 72 72 TRP HE1 H 1 10.996 0.030 . 1 . . . . 72 TRP HE1 . 10165 1 853 . 1 1 72 72 TRP CE3 C 13 120.462 0.300 . 1 . . . . 72 TRP CE3 . 10165 1 854 . 1 1 72 72 TRP HE3 H 1 7.540 0.030 . 1 . . . . 72 TRP HE3 . 10165 1 855 . 1 1 72 72 TRP CZ2 C 13 114.387 0.300 . 1 . . . . 72 TRP CZ2 . 10165 1 856 . 1 1 72 72 TRP HZ2 H 1 6.893 0.030 . 1 . . . . 72 TRP HZ2 . 10165 1 857 . 1 1 72 72 TRP CZ3 C 13 120.443 0.300 . 1 . . . . 72 TRP CZ3 . 10165 1 858 . 1 1 72 72 TRP HZ3 H 1 6.479 0.030 . 1 . . . . 72 TRP HZ3 . 10165 1 859 . 1 1 72 72 TRP CH2 C 13 123.448 0.300 . 1 . . . . 72 TRP CH2 . 10165 1 860 . 1 1 72 72 TRP HH2 H 1 7.033 0.030 . 1 . . . . 72 TRP HH2 . 10165 1 861 . 1 1 72 72 TRP C C 13 176.875 0.300 . 1 . . . . 72 TRP C . 10165 1 862 . 1 1 73 73 LYS N N 15 124.701 0.300 . 1 . . . . 73 LYS N . 10165 1 863 . 1 1 73 73 LYS H H 1 7.785 0.030 . 1 . . . . 73 LYS H . 10165 1 864 . 1 1 73 73 LYS CA C 13 60.463 0.300 . 1 . . . . 73 LYS CA . 10165 1 865 . 1 1 73 73 LYS HA H 1 4.174 0.030 . 1 . . . . 73 LYS HA . 10165 1 866 . 1 1 73 73 LYS CB C 13 31.024 0.300 . 1 . . . . 73 LYS CB . 10165 1 867 . 1 1 73 73 LYS HB2 H 1 1.792 0.030 . 1 . . . . 73 LYS HB2 . 10165 1 868 . 1 1 73 73 LYS HB3 H 1 1.792 0.030 . 1 . . . . 73 LYS HB3 . 10165 1 869 . 1 1 73 73 LYS CG C 13 25.459 0.300 . 1 . . . . 73 LYS CG . 10165 1 870 . 1 1 73 73 LYS HG2 H 1 1.503 0.030 . 2 . . . . 73 LYS HG2 . 10165 1 871 . 1 1 73 73 LYS HG3 H 1 1.720 0.030 . 2 . . . . 73 LYS HG3 . 10165 1 872 . 1 1 73 73 LYS CD C 13 29.225 0.300 . 1 . . . . 73 LYS CD . 10165 1 873 . 1 1 73 73 LYS HD2 H 1 1.851 0.030 . 2 . . . . 73 LYS HD2 . 10165 1 874 . 1 1 73 73 LYS HD3 H 1 1.750 0.030 . 2 . . . . 73 LYS HD3 . 10165 1 875 . 1 1 73 73 LYS CE C 13 41.473 0.300 . 1 . . . . 73 LYS CE . 10165 1 876 . 1 1 73 73 LYS HE2 H 1 3.095 0.030 . 1 . . . . 73 LYS HE2 . 10165 1 877 . 1 1 73 73 LYS HE3 H 1 3.095 0.030 . 1 . . . . 73 LYS HE3 . 10165 1 878 . 1 1 73 73 LYS C C 13 177.622 0.300 . 1 . . . . 73 LYS C . 10165 1 879 . 1 1 74 74 SER N N 15 117.041 0.300 . 1 . . . . 74 SER N . 10165 1 880 . 1 1 74 74 SER H H 1 10.002 0.030 . 1 . . . . 74 SER H . 10165 1 881 . 1 1 74 74 SER CA C 13 57.539 0.300 . 1 . . . . 74 SER CA . 10165 1 882 . 1 1 74 74 SER HA H 1 4.556 0.030 . 1 . . . . 74 SER HA . 10165 1 883 . 1 1 74 74 SER CB C 13 66.372 0.300 . 1 . . . . 74 SER CB . 10165 1 884 . 1 1 74 74 SER HB2 H 1 3.821 0.030 . 1 . . . . 74 SER HB2 . 10165 1 885 . 1 1 74 74 SER HB3 H 1 3.821 0.030 . 1 . . . . 74 SER HB3 . 10165 1 886 . 1 1 74 74 SER C C 13 171.956 0.300 . 1 . . . . 74 SER C . 10165 1 887 . 1 1 75 75 TYR N N 15 113.320 0.300 . 1 . . . . 75 TYR N . 10165 1 888 . 1 1 75 75 TYR H H 1 7.735 0.030 . 1 . . . . 75 TYR H . 10165 1 889 . 1 1 75 75 TYR CA C 13 57.155 0.300 . 1 . . . . 75 TYR CA . 10165 1 890 . 1 1 75 75 TYR HA H 1 5.229 0.030 . 1 . . . . 75 TYR HA . 10165 1 891 . 1 1 75 75 TYR CB C 13 40.745 0.300 . 1 . . . . 75 TYR CB . 10165 1 892 . 1 1 75 75 TYR HB2 H 1 2.862 0.030 . 2 . . . . 75 TYR HB2 . 10165 1 893 . 1 1 75 75 TYR HB3 H 1 3.100 0.030 . 2 . . . . 75 TYR HB3 . 10165 1 894 . 1 1 75 75 TYR CD1 C 13 133.592 0.300 . 1 . . . . 75 TYR CD1 . 10165 1 895 . 1 1 75 75 TYR HD1 H 1 6.941 0.030 . 1 . . . . 75 TYR HD1 . 10165 1 896 . 1 1 75 75 TYR CD2 C 13 133.592 0.300 . 1 . . . . 75 TYR CD2 . 10165 1 897 . 1 1 75 75 TYR HD2 H 1 6.941 0.030 . 1 . . . . 75 TYR HD2 . 10165 1 898 . 1 1 75 75 TYR CE1 C 13 118.174 0.300 . 1 . . . . 75 TYR CE1 . 10165 1 899 . 1 1 75 75 TYR HE1 H 1 6.800 0.030 . 1 . . . . 75 TYR HE1 . 10165 1 900 . 1 1 75 75 TYR CE2 C 13 118.174 0.300 . 1 . . . . 75 TYR CE2 . 10165 1 901 . 1 1 75 75 TYR HE2 H 1 6.800 0.030 . 1 . . . . 75 TYR HE2 . 10165 1 902 . 1 1 75 75 TYR C C 13 174.262 0.300 . 1 . . . . 75 TYR C . 10165 1 903 . 1 1 76 76 THR N N 15 117.158 0.300 . 1 . . . . 76 THR N . 10165 1 904 . 1 1 76 76 THR H H 1 9.212 0.030 . 1 . . . . 76 THR H . 10165 1 905 . 1 1 76 76 THR CA C 13 62.104 0.300 . 1 . . . . 76 THR CA . 10165 1 906 . 1 1 76 76 THR HA H 1 4.318 0.030 . 1 . . . . 76 THR HA . 10165 1 907 . 1 1 76 76 THR CB C 13 72.675 0.300 . 1 . . . . 76 THR CB . 10165 1 908 . 1 1 76 76 THR HB H 1 3.643 0.030 . 1 . . . . 76 THR HB . 10165 1 909 . 1 1 76 76 THR CG2 C 13 21.414 0.300 . 1 . . . . 76 THR CG2 . 10165 1 910 . 1 1 76 76 THR HG21 H 1 0.483 0.030 . 1 . . . . 76 THR HG2 . 10165 1 911 . 1 1 76 76 THR HG22 H 1 0.483 0.030 . 1 . . . . 76 THR HG2 . 10165 1 912 . 1 1 76 76 THR HG23 H 1 0.483 0.030 . 1 . . . . 76 THR HG2 . 10165 1 913 . 1 1 76 76 THR C C 13 171.344 0.300 . 1 . . . . 76 THR C . 10165 1 914 . 1 1 77 77 ASP N N 15 125.875 0.300 . 1 . . . . 77 ASP N . 10165 1 915 . 1 1 77 77 ASP H H 1 8.569 0.030 . 1 . . . . 77 ASP H . 10165 1 916 . 1 1 77 77 ASP CA C 13 52.422 0.300 . 1 . . . . 77 ASP CA . 10165 1 917 . 1 1 77 77 ASP HA H 1 5.865 0.030 . 1 . . . . 77 ASP HA . 10165 1 918 . 1 1 77 77 ASP CB C 13 41.512 0.300 . 1 . . . . 77 ASP CB . 10165 1 919 . 1 1 77 77 ASP HB2 H 1 2.689 0.030 . 2 . . . . 77 ASP HB2 . 10165 1 920 . 1 1 77 77 ASP HB3 H 1 2.159 0.030 . 2 . . . . 77 ASP HB3 . 10165 1 921 . 1 1 77 77 ASP C C 13 175.921 0.300 . 1 . . . . 77 ASP C . 10165 1 922 . 1 1 78 78 PHE N N 15 125.666 0.300 . 1 . . . . 78 PHE N . 10165 1 923 . 1 1 78 78 PHE H H 1 9.992 0.030 . 1 . . . . 78 PHE H . 10165 1 924 . 1 1 78 78 PHE CA C 13 55.578 0.300 . 1 . . . . 78 PHE CA . 10165 1 925 . 1 1 78 78 PHE HA H 1 4.943 0.030 . 1 . . . . 78 PHE HA . 10165 1 926 . 1 1 78 78 PHE CB C 13 40.375 0.300 . 1 . . . . 78 PHE CB . 10165 1 927 . 1 1 78 78 PHE HB2 H 1 2.782 0.030 . 2 . . . . 78 PHE HB2 . 10165 1 928 . 1 1 78 78 PHE HB3 H 1 3.156 0.030 . 2 . . . . 78 PHE HB3 . 10165 1 929 . 1 1 78 78 PHE CD1 C 13 132.483 0.300 . 1 . . . . 78 PHE CD1 . 10165 1 930 . 1 1 78 78 PHE HD1 H 1 7.328 0.030 . 1 . . . . 78 PHE HD1 . 10165 1 931 . 1 1 78 78 PHE CD2 C 13 132.483 0.300 . 1 . . . . 78 PHE CD2 . 10165 1 932 . 1 1 78 78 PHE HD2 H 1 7.328 0.030 . 1 . . . . 78 PHE HD2 . 10165 1 933 . 1 1 78 78 PHE CE1 C 13 131.357 0.300 . 1 . . . . 78 PHE CE1 . 10165 1 934 . 1 1 78 78 PHE HE1 H 1 7.370 0.030 . 1 . . . . 78 PHE HE1 . 10165 1 935 . 1 1 78 78 PHE CE2 C 13 131.357 0.300 . 1 . . . . 78 PHE CE2 . 10165 1 936 . 1 1 78 78 PHE HE2 H 1 7.370 0.030 . 1 . . . . 78 PHE HE2 . 10165 1 937 . 1 1 78 78 PHE CZ C 13 129.637 0.300 . 1 . . . . 78 PHE CZ . 10165 1 938 . 1 1 78 78 PHE HZ H 1 7.415 0.030 . 1 . . . . 78 PHE HZ . 10165 1 939 . 1 1 78 78 PHE C C 13 173.610 0.300 . 1 . . . . 78 PHE C . 10165 1 940 . 1 1 79 79 PRO CA C 13 63.363 0.300 . 1 . . . . 79 PRO CA . 10165 1 941 . 1 1 79 79 PRO HA H 1 4.615 0.030 . 1 . . . . 79 PRO HA . 10165 1 942 . 1 1 79 79 PRO CB C 13 32.787 0.300 . 1 . . . . 79 PRO CB . 10165 1 943 . 1 1 79 79 PRO HB2 H 1 2.100 0.030 . 2 . . . . 79 PRO HB2 . 10165 1 944 . 1 1 79 79 PRO HB3 H 1 2.367 0.030 . 2 . . . . 79 PRO HB3 . 10165 1 945 . 1 1 79 79 PRO CG C 13 27.429 0.300 . 1 . . . . 79 PRO CG . 10165 1 946 . 1 1 79 79 PRO HG2 H 1 2.149 0.030 . 2 . . . . 79 PRO HG2 . 10165 1 947 . 1 1 79 79 PRO HG3 H 1 2.315 0.030 . 2 . . . . 79 PRO HG3 . 10165 1 948 . 1 1 79 79 PRO CD C 13 50.905 0.300 . 1 . . . . 79 PRO CD . 10165 1 949 . 1 1 79 79 PRO HD2 H 1 4.091 0.030 . 2 . . . . 79 PRO HD2 . 10165 1 950 . 1 1 79 79 PRO HD3 H 1 3.973 0.030 . 2 . . . . 79 PRO HD3 . 10165 1 951 . 1 1 79 79 PRO C C 13 176.681 0.300 . 1 . . . . 79 PRO C . 10165 1 952 . 1 1 80 80 CYS N N 15 117.289 0.300 . 1 . . . . 80 CYS N . 10165 1 953 . 1 1 80 80 CYS H H 1 8.308 0.030 . 1 . . . . 80 CYS H . 10165 1 954 . 1 1 80 80 CYS CA C 13 57.675 0.300 . 1 . . . . 80 CYS CA . 10165 1 955 . 1 1 80 80 CYS HA H 1 5.242 0.030 . 1 . . . . 80 CYS HA . 10165 1 956 . 1 1 80 80 CYS CB C 13 30.658 0.300 . 1 . . . . 80 CYS CB . 10165 1 957 . 1 1 80 80 CYS HB2 H 1 2.727 0.030 . 2 . . . . 80 CYS HB2 . 10165 1 958 . 1 1 80 80 CYS HB3 H 1 2.957 0.030 . 2 . . . . 80 CYS HB3 . 10165 1 959 . 1 1 80 80 CYS C C 13 174.899 0.300 . 1 . . . . 80 CYS C . 10165 1 960 . 1 1 81 81 GLN N N 15 122.188 0.300 . 1 . . . . 81 GLN N . 10165 1 961 . 1 1 81 81 GLN H H 1 9.312 0.030 . 1 . . . . 81 GLN H . 10165 1 962 . 1 1 81 81 GLN CA C 13 54.620 0.300 . 1 . . . . 81 GLN CA . 10165 1 963 . 1 1 81 81 GLN HA H 1 4.911 0.030 . 1 . . . . 81 GLN HA . 10165 1 964 . 1 1 81 81 GLN CB C 13 31.213 0.300 . 1 . . . . 81 GLN CB . 10165 1 965 . 1 1 81 81 GLN HB2 H 1 2.103 0.030 . 1 . . . . 81 GLN HB2 . 10165 1 966 . 1 1 81 81 GLN HB3 H 1 2.103 0.030 . 1 . . . . 81 GLN HB3 . 10165 1 967 . 1 1 81 81 GLN CG C 13 34.078 0.300 . 1 . . . . 81 GLN CG . 10165 1 968 . 1 1 81 81 GLN HG2 H 1 2.419 0.030 . 2 . . . . 81 GLN HG2 . 10165 1 969 . 1 1 81 81 GLN HG3 H 1 2.470 0.030 . 2 . . . . 81 GLN HG3 . 10165 1 970 . 1 1 81 81 GLN NE2 N 15 112.462 0.300 . 1 . . . . 81 GLN NE2 . 10165 1 971 . 1 1 81 81 GLN HE21 H 1 7.622 0.030 . 2 . . . . 81 GLN HE21 . 10165 1 972 . 1 1 81 81 GLN HE22 H 1 6.809 0.030 . 2 . . . . 81 GLN HE22 . 10165 1 973 . 1 1 81 81 GLN C C 13 175.035 0.300 . 1 . . . . 81 GLN C . 10165 1 974 . 1 1 82 82 TYR N N 15 125.814 0.300 . 1 . . . . 82 TYR N . 10165 1 975 . 1 1 82 82 TYR H H 1 8.919 0.030 . 1 . . . . 82 TYR H . 10165 1 976 . 1 1 82 82 TYR CA C 13 58.764 0.300 . 1 . . . . 82 TYR CA . 10165 1 977 . 1 1 82 82 TYR HA H 1 3.403 0.030 . 1 . . . . 82 TYR HA . 10165 1 978 . 1 1 82 82 TYR CB C 13 38.346 0.300 . 1 . . . . 82 TYR CB . 10165 1 979 . 1 1 82 82 TYR HB2 H 1 2.790 0.030 . 2 . . . . 82 TYR HB2 . 10165 1 980 . 1 1 82 82 TYR HB3 H 1 2.641 0.030 . 2 . . . . 82 TYR HB3 . 10165 1 981 . 1 1 82 82 TYR CD1 C 13 132.674 0.300 . 1 . . . . 82 TYR CD1 . 10165 1 982 . 1 1 82 82 TYR HD1 H 1 6.574 0.030 . 1 . . . . 82 TYR HD1 . 10165 1 983 . 1 1 82 82 TYR CD2 C 13 132.674 0.300 . 1 . . . . 82 TYR CD2 . 10165 1 984 . 1 1 82 82 TYR HD2 H 1 6.574 0.030 . 1 . . . . 82 TYR HD2 . 10165 1 985 . 1 1 82 82 TYR CE1 C 13 118.016 0.300 . 1 . . . . 82 TYR CE1 . 10165 1 986 . 1 1 82 82 TYR HE1 H 1 6.636 0.030 . 1 . . . . 82 TYR HE1 . 10165 1 987 . 1 1 82 82 TYR CE2 C 13 118.016 0.300 . 1 . . . . 82 TYR CE2 . 10165 1 988 . 1 1 82 82 TYR HE2 H 1 6.636 0.030 . 1 . . . . 82 TYR HE2 . 10165 1 989 . 1 1 82 82 TYR C C 13 175.413 0.300 . 1 . . . . 82 TYR C . 10165 1 990 . 1 1 83 83 VAL N N 15 129.316 0.300 . 1 . . . . 83 VAL N . 10165 1 991 . 1 1 83 83 VAL H H 1 7.782 0.030 . 1 . . . . 83 VAL H . 10165 1 992 . 1 1 83 83 VAL CA C 13 61.693 0.300 . 1 . . . . 83 VAL CA . 10165 1 993 . 1 1 83 83 VAL HA H 1 3.758 0.030 . 1 . . . . 83 VAL HA . 10165 1 994 . 1 1 83 83 VAL CB C 13 32.564 0.300 . 1 . . . . 83 VAL CB . 10165 1 995 . 1 1 83 83 VAL HB H 1 1.616 0.030 . 1 . . . . 83 VAL HB . 10165 1 996 . 1 1 83 83 VAL CG1 C 13 20.911 0.300 . 2 . . . . 83 VAL CG1 . 10165 1 997 . 1 1 83 83 VAL HG11 H 1 0.701 0.030 . 1 . . . . 83 VAL HG1 . 10165 1 998 . 1 1 83 83 VAL HG12 H 1 0.701 0.030 . 1 . . . . 83 VAL HG1 . 10165 1 999 . 1 1 83 83 VAL HG13 H 1 0.701 0.030 . 1 . . . . 83 VAL HG1 . 10165 1 1000 . 1 1 83 83 VAL CG2 C 13 21.124 0.300 . 2 . . . . 83 VAL CG2 . 10165 1 1001 . 1 1 83 83 VAL HG21 H 1 0.742 0.030 . 1 . . . . 83 VAL HG2 . 10165 1 1002 . 1 1 83 83 VAL HG22 H 1 0.742 0.030 . 1 . . . . 83 VAL HG2 . 10165 1 1003 . 1 1 83 83 VAL HG23 H 1 0.742 0.030 . 1 . . . . 83 VAL HG2 . 10165 1 1004 . 1 1 83 83 VAL C C 13 173.771 0.300 . 1 . . . . 83 VAL C . 10165 1 1005 . 1 1 84 84 LYS N N 15 126.665 0.300 . 1 . . . . 84 LYS N . 10165 1 1006 . 1 1 84 84 LYS H H 1 8.174 0.030 . 1 . . . . 84 LYS H . 10165 1 1007 . 1 1 84 84 LYS CA C 13 56.144 0.300 . 1 . . . . 84 LYS CA . 10165 1 1008 . 1 1 84 84 LYS HA H 1 4.016 0.030 . 1 . . . . 84 LYS HA . 10165 1 1009 . 1 1 84 84 LYS CB C 13 32.170 0.300 . 1 . . . . 84 LYS CB . 10165 1 1010 . 1 1 84 84 LYS HB2 H 1 1.628 0.030 . 2 . . . . 84 LYS HB2 . 10165 1 1011 . 1 1 84 84 LYS HB3 H 1 1.785 0.030 . 2 . . . . 84 LYS HB3 . 10165 1 1012 . 1 1 84 84 LYS CG C 13 25.067 0.300 . 1 . . . . 84 LYS CG . 10165 1 1013 . 1 1 84 84 LYS HG2 H 1 1.413 0.030 . 2 . . . . 84 LYS HG2 . 10165 1 1014 . 1 1 84 84 LYS HG3 H 1 1.380 0.030 . 2 . . . . 84 LYS HG3 . 10165 1 1015 . 1 1 84 84 LYS CD C 13 29.354 0.300 . 1 . . . . 84 LYS CD . 10165 1 1016 . 1 1 84 84 LYS HD2 H 1 1.718 0.030 . 1 . . . . 84 LYS HD2 . 10165 1 1017 . 1 1 84 84 LYS HD3 H 1 1.718 0.030 . 1 . . . . 84 LYS HD3 . 10165 1 1018 . 1 1 84 84 LYS CE C 13 42.130 0.300 . 1 . . . . 84 LYS CE . 10165 1 1019 . 1 1 84 84 LYS HE2 H 1 3.015 0.030 . 1 . . . . 84 LYS HE2 . 10165 1 1020 . 1 1 84 84 LYS HE3 H 1 3.015 0.030 . 1 . . . . 84 LYS HE3 . 10165 1 1021 . 1 1 84 84 LYS C C 13 175.610 0.300 . 1 . . . . 84 LYS C . 10165 1 1022 . 1 1 85 85 ASP N N 15 124.262 0.300 . 1 . . . . 85 ASP N . 10165 1 1023 . 1 1 85 85 ASP H H 1 7.864 0.030 . 1 . . . . 85 ASP H . 10165 1 1024 . 1 1 85 85 ASP CA C 13 53.349 0.300 . 1 . . . . 85 ASP CA . 10165 1 1025 . 1 1 85 85 ASP HA H 1 4.678 0.030 . 1 . . . . 85 ASP HA . 10165 1 1026 . 1 1 85 85 ASP CB C 13 41.683 0.300 . 1 . . . . 85 ASP CB . 10165 1 1027 . 1 1 85 85 ASP HB2 H 1 2.672 0.030 . 2 . . . . 85 ASP HB2 . 10165 1 1028 . 1 1 85 85 ASP HB3 H 1 2.765 0.030 . 2 . . . . 85 ASP HB3 . 10165 1 1029 . 1 1 85 85 ASP C C 13 176.841 0.300 . 1 . . . . 85 ASP C . 10165 1 1030 . 1 1 86 86 THR N N 15 113.656 0.300 . 1 . . . . 86 THR N . 10165 1 1031 . 1 1 86 86 THR H H 1 8.065 0.030 . 1 . . . . 86 THR H . 10165 1 1032 . 1 1 86 86 THR CA C 13 63.274 0.300 . 1 . . . . 86 THR CA . 10165 1 1033 . 1 1 86 86 THR HA H 1 4.086 0.030 . 1 . . . . 86 THR HA . 10165 1 1034 . 1 1 86 86 THR CB C 13 69.257 0.300 . 1 . . . . 86 THR CB . 10165 1 1035 . 1 1 86 86 THR HB H 1 4.003 0.030 . 1 . . . . 86 THR HB . 10165 1 1036 . 1 1 86 86 THR CG2 C 13 21.393 0.300 . 1 . . . . 86 THR CG2 . 10165 1 1037 . 1 1 86 86 THR HG21 H 1 0.991 0.030 . 1 . . . . 86 THR HG2 . 10165 1 1038 . 1 1 86 86 THR HG22 H 1 0.991 0.030 . 1 . . . . 86 THR HG2 . 10165 1 1039 . 1 1 86 86 THR HG23 H 1 0.991 0.030 . 1 . . . . 86 THR HG2 . 10165 1 1040 . 1 1 86 86 THR C C 13 174.589 0.300 . 1 . . . . 86 THR C . 10165 1 1041 . 1 1 87 87 TYR N N 15 120.837 0.300 . 1 . . . . 87 TYR N . 10165 1 1042 . 1 1 87 87 TYR H H 1 8.064 0.030 . 1 . . . . 87 TYR H . 10165 1 1043 . 1 1 87 87 TYR CA C 13 58.054 0.300 . 1 . . . . 87 TYR CA . 10165 1 1044 . 1 1 87 87 TYR HA H 1 4.527 0.030 . 1 . . . . 87 TYR HA . 10165 1 1045 . 1 1 87 87 TYR CB C 13 38.297 0.300 . 1 . . . . 87 TYR CB . 10165 1 1046 . 1 1 87 87 TYR HB2 H 1 3.192 0.030 . 2 . . . . 87 TYR HB2 . 10165 1 1047 . 1 1 87 87 TYR HB3 H 1 2.922 0.030 . 2 . . . . 87 TYR HB3 . 10165 1 1048 . 1 1 87 87 TYR CD1 C 13 133.356 0.300 . 1 . . . . 87 TYR CD1 . 10165 1 1049 . 1 1 87 87 TYR HD1 H 1 7.148 0.030 . 1 . . . . 87 TYR HD1 . 10165 1 1050 . 1 1 87 87 TYR CD2 C 13 133.356 0.300 . 1 . . . . 87 TYR CD2 . 10165 1 1051 . 1 1 87 87 TYR HD2 H 1 7.148 0.030 . 1 . . . . 87 TYR HD2 . 10165 1 1052 . 1 1 87 87 TYR CE1 C 13 118.199 0.300 . 1 . . . . 87 TYR CE1 . 10165 1 1053 . 1 1 87 87 TYR HE1 H 1 6.805 0.030 . 1 . . . . 87 TYR HE1 . 10165 1 1054 . 1 1 87 87 TYR CE2 C 13 118.199 0.300 . 1 . . . . 87 TYR CE2 . 10165 1 1055 . 1 1 87 87 TYR HE2 H 1 6.805 0.030 . 1 . . . . 87 TYR HE2 . 10165 1 1056 . 1 1 87 87 TYR C C 13 175.590 0.300 . 1 . . . . 87 TYR C . 10165 1 1057 . 1 1 88 88 ALA N N 15 125.226 0.300 . 1 . . . . 88 ALA N . 10165 1 1058 . 1 1 88 88 ALA H H 1 7.963 0.030 . 1 . . . . 88 ALA H . 10165 1 1059 . 1 1 88 88 ALA CA C 13 53.104 0.300 . 1 . . . . 88 ALA CA . 10165 1 1060 . 1 1 88 88 ALA HA H 1 4.389 0.030 . 1 . . . . 88 ALA HA . 10165 1 1061 . 1 1 88 88 ALA CB C 13 19.127 0.300 . 1 . . . . 88 ALA CB . 10165 1 1062 . 1 1 88 88 ALA HB1 H 1 1.471 0.030 . 1 . . . . 88 ALA HB . 10165 1 1063 . 1 1 88 88 ALA HB2 H 1 1.471 0.030 . 1 . . . . 88 ALA HB . 10165 1 1064 . 1 1 88 88 ALA HB3 H 1 1.471 0.030 . 1 . . . . 88 ALA HB . 10165 1 1065 . 1 1 88 88 ALA C C 13 178.497 0.300 . 1 . . . . 88 ALA C . 10165 1 1066 . 1 1 89 89 GLY N N 15 109.029 0.300 . 1 . . . . 89 GLY N . 10165 1 1067 . 1 1 89 89 GLY H H 1 8.479 0.030 . 1 . . . . 89 GLY H . 10165 1 1068 . 1 1 89 89 GLY CA C 13 45.426 0.300 . 1 . . . . 89 GLY CA . 10165 1 1069 . 1 1 89 89 GLY HA2 H 1 3.952 0.030 . 2 . . . . 89 GLY HA2 . 10165 1 1070 . 1 1 89 89 GLY HA3 H 1 4.079 0.030 . 2 . . . . 89 GLY HA3 . 10165 1 1071 . 1 1 89 89 GLY C C 13 174.563 0.300 . 1 . . . . 89 GLY C . 10165 1 1072 . 1 1 90 90 SER N N 15 115.638 0.300 . 1 . . . . 90 SER N . 10165 1 1073 . 1 1 90 90 SER H H 1 8.232 0.030 . 1 . . . . 90 SER H . 10165 1 1074 . 1 1 90 90 SER CA C 13 58.443 0.300 . 1 . . . . 90 SER CA . 10165 1 1075 . 1 1 90 90 SER HA H 1 4.574 0.030 . 1 . . . . 90 SER HA . 10165 1 1076 . 1 1 90 90 SER CB C 13 63.865 0.300 . 1 . . . . 90 SER CB . 10165 1 1077 . 1 1 90 90 SER HB2 H 1 4.073 0.030 . 2 . . . . 90 SER HB2 . 10165 1 1078 . 1 1 90 90 SER HB3 H 1 3.945 0.030 . 2 . . . . 90 SER HB3 . 10165 1 1079 . 1 1 90 90 SER C C 13 174.212 0.300 . 1 . . . . 90 SER C . 10165 1 1080 . 1 1 91 91 ASP N N 15 120.185 0.300 . 1 . . . . 91 ASP N . 10165 1 1081 . 1 1 91 91 ASP H H 1 8.691 0.030 . 1 . . . . 91 ASP H . 10165 1 1082 . 1 1 91 91 ASP CA C 13 55.012 0.300 . 1 . . . . 91 ASP CA . 10165 1 1083 . 1 1 91 91 ASP HA H 1 4.684 0.030 . 1 . . . . 91 ASP HA . 10165 1 1084 . 1 1 91 91 ASP CB C 13 40.643 0.300 . 1 . . . . 91 ASP CB . 10165 1 1085 . 1 1 91 91 ASP HB2 H 1 2.736 0.030 . 2 . . . . 91 ASP HB2 . 10165 1 1086 . 1 1 91 91 ASP HB3 H 1 2.821 0.030 . 2 . . . . 91 ASP HB3 . 10165 1 1087 . 1 1 91 91 ASP C C 13 176.350 0.300 . 1 . . . . 91 ASP C . 10165 1 1088 . 1 1 92 92 ARG N N 15 119.690 0.300 . 1 . . . . 92 ARG N . 10165 1 1089 . 1 1 92 92 ARG H H 1 8.072 0.030 . 1 . . . . 92 ARG H . 10165 1 1090 . 1 1 92 92 ARG CA C 13 54.941 0.300 . 1 . . . . 92 ARG CA . 10165 1 1091 . 1 1 92 92 ARG HA H 1 5.022 0.030 . 1 . . . . 92 ARG HA . 10165 1 1092 . 1 1 92 92 ARG CB C 13 32.816 0.300 . 1 . . . . 92 ARG CB . 10165 1 1093 . 1 1 92 92 ARG HB2 H 1 1.631 0.030 . 2 . . . . 92 ARG HB2 . 10165 1 1094 . 1 1 92 92 ARG HB3 H 1 1.673 0.030 . 2 . . . . 92 ARG HB3 . 10165 1 1095 . 1 1 92 92 ARG CG C 13 26.376 0.300 . 1 . . . . 92 ARG CG . 10165 1 1096 . 1 1 92 92 ARG HG2 H 1 1.487 0.030 . 1 . . . . 92 ARG HG2 . 10165 1 1097 . 1 1 92 92 ARG HG3 H 1 1.487 0.030 . 1 . . . . 92 ARG HG3 . 10165 1 1098 . 1 1 92 92 ARG CD C 13 43.669 0.300 . 1 . . . . 92 ARG CD . 10165 1 1099 . 1 1 92 92 ARG HD2 H 1 2.904 0.030 . 1 . . . . 92 ARG HD2 . 10165 1 1100 . 1 1 92 92 ARG HD3 H 1 2.904 0.030 . 1 . . . . 92 ARG HD3 . 10165 1 1101 . 1 1 92 92 ARG C C 13 174.072 0.300 . 1 . . . . 92 ARG C . 10165 1 1102 . 1 1 93 93 ASP N N 15 119.716 0.300 . 1 . . . . 93 ASP N . 10165 1 1103 . 1 1 93 93 ASP H H 1 8.550 0.030 . 1 . . . . 93 ASP H . 10165 1 1104 . 1 1 93 93 ASP CA C 13 53.411 0.300 . 1 . . . . 93 ASP CA . 10165 1 1105 . 1 1 93 93 ASP HA H 1 5.108 0.030 . 1 . . . . 93 ASP HA . 10165 1 1106 . 1 1 93 93 ASP CB C 13 46.005 0.300 . 1 . . . . 93 ASP CB . 10165 1 1107 . 1 1 93 93 ASP HB2 H 1 2.627 0.030 . 1 . . . . 93 ASP HB2 . 10165 1 1108 . 1 1 93 93 ASP HB3 H 1 2.627 0.030 . 1 . . . . 93 ASP HB3 . 10165 1 1109 . 1 1 93 93 ASP C C 13 174.776 0.300 . 1 . . . . 93 ASP C . 10165 1 1110 . 1 1 94 94 THR N N 15 116.481 0.300 . 1 . . . . 94 THR N . 10165 1 1111 . 1 1 94 94 THR H H 1 8.932 0.030 . 1 . . . . 94 THR H . 10165 1 1112 . 1 1 94 94 THR CA C 13 62.287 0.300 . 1 . . . . 94 THR CA . 10165 1 1113 . 1 1 94 94 THR HA H 1 5.232 0.030 . 1 . . . . 94 THR HA . 10165 1 1114 . 1 1 94 94 THR CB C 13 70.008 0.300 . 1 . . . . 94 THR CB . 10165 1 1115 . 1 1 94 94 THR HB H 1 3.821 0.030 . 1 . . . . 94 THR HB . 10165 1 1116 . 1 1 94 94 THR CG2 C 13 22.018 0.300 . 1 . . . . 94 THR CG2 . 10165 1 1117 . 1 1 94 94 THR HG21 H 1 1.229 0.030 . 1 . . . . 94 THR HG2 . 10165 1 1118 . 1 1 94 94 THR HG22 H 1 1.229 0.030 . 1 . . . . 94 THR HG2 . 10165 1 1119 . 1 1 94 94 THR HG23 H 1 1.229 0.030 . 1 . . . . 94 THR HG2 . 10165 1 1120 . 1 1 94 94 THR C C 13 171.982 0.300 . 1 . . . . 94 THR C . 10165 1 1121 . 1 1 95 95 PHE N N 15 124.488 0.300 . 1 . . . . 95 PHE N . 10165 1 1122 . 1 1 95 95 PHE H H 1 9.347 0.030 . 1 . . . . 95 PHE H . 10165 1 1123 . 1 1 95 95 PHE CA C 13 55.834 0.300 . 1 . . . . 95 PHE CA . 10165 1 1124 . 1 1 95 95 PHE HA H 1 5.321 0.030 . 1 . . . . 95 PHE HA . 10165 1 1125 . 1 1 95 95 PHE CB C 13 43.478 0.300 . 1 . . . . 95 PHE CB . 10165 1 1126 . 1 1 95 95 PHE HB2 H 1 2.596 0.030 . 2 . . . . 95 PHE HB2 . 10165 1 1127 . 1 1 95 95 PHE HB3 H 1 2.684 0.030 . 2 . . . . 95 PHE HB3 . 10165 1 1128 . 1 1 95 95 PHE CD1 C 13 131.235 0.300 . 1 . . . . 95 PHE CD1 . 10165 1 1129 . 1 1 95 95 PHE HD1 H 1 6.852 0.030 . 1 . . . . 95 PHE HD1 . 10165 1 1130 . 1 1 95 95 PHE CD2 C 13 131.235 0.300 . 1 . . . . 95 PHE CD2 . 10165 1 1131 . 1 1 95 95 PHE HD2 H 1 6.852 0.030 . 1 . . . . 95 PHE HD2 . 10165 1 1132 . 1 1 95 95 PHE CE1 C 13 131.207 0.300 . 1 . . . . 95 PHE CE1 . 10165 1 1133 . 1 1 95 95 PHE HE1 H 1 7.192 0.030 . 1 . . . . 95 PHE HE1 . 10165 1 1134 . 1 1 95 95 PHE CE2 C 13 131.207 0.300 . 1 . . . . 95 PHE CE2 . 10165 1 1135 . 1 1 95 95 PHE HE2 H 1 7.192 0.030 . 1 . . . . 95 PHE HE2 . 10165 1 1136 . 1 1 95 95 PHE CZ C 13 129.997 0.300 . 1 . . . . 95 PHE CZ . 10165 1 1137 . 1 1 95 95 PHE HZ H 1 7.137 0.030 . 1 . . . . 95 PHE HZ . 10165 1 1138 . 1 1 95 95 PHE C C 13 174.780 0.300 . 1 . . . . 95 PHE C . 10165 1 1139 . 1 1 96 96 SER N N 15 117.417 0.300 . 1 . . . . 96 SER N . 10165 1 1140 . 1 1 96 96 SER H H 1 10.108 0.030 . 1 . . . . 96 SER H . 10165 1 1141 . 1 1 96 96 SER CA C 13 56.388 0.300 . 1 . . . . 96 SER CA . 10165 1 1142 . 1 1 96 96 SER HA H 1 5.575 0.030 . 1 . . . . 96 SER HA . 10165 1 1143 . 1 1 96 96 SER CB C 13 67.188 0.300 . 1 . . . . 96 SER CB . 10165 1 1144 . 1 1 96 96 SER HB2 H 1 4.054 0.030 . 2 . . . . 96 SER HB2 . 10165 1 1145 . 1 1 96 96 SER HB3 H 1 3.565 0.030 . 2 . . . . 96 SER HB3 . 10165 1 1146 . 1 1 96 96 SER C C 13 173.079 0.300 . 1 . . . . 96 SER C . 10165 1 1147 . 1 1 97 97 PHE N N 15 114.813 0.300 . 1 . . . . 97 PHE N . 10165 1 1148 . 1 1 97 97 PHE H H 1 7.991 0.030 . 1 . . . . 97 PHE H . 10165 1 1149 . 1 1 97 97 PHE CA C 13 56.003 0.300 . 1 . . . . 97 PHE CA . 10165 1 1150 . 1 1 97 97 PHE HA H 1 5.249 0.030 . 1 . . . . 97 PHE HA . 10165 1 1151 . 1 1 97 97 PHE CB C 13 42.008 0.300 . 1 . . . . 97 PHE CB . 10165 1 1152 . 1 1 97 97 PHE HB2 H 1 3.558 0.030 . 2 . . . . 97 PHE HB2 . 10165 1 1153 . 1 1 97 97 PHE HB3 H 1 2.739 0.030 . 2 . . . . 97 PHE HB3 . 10165 1 1154 . 1 1 97 97 PHE CD1 C 13 132.499 0.300 . 1 . . . . 97 PHE CD1 . 10165 1 1155 . 1 1 97 97 PHE HD1 H 1 6.693 0.030 . 1 . . . . 97 PHE HD1 . 10165 1 1156 . 1 1 97 97 PHE CD2 C 13 132.499 0.300 . 1 . . . . 97 PHE CD2 . 10165 1 1157 . 1 1 97 97 PHE HD2 H 1 6.693 0.030 . 1 . . . . 97 PHE HD2 . 10165 1 1158 . 1 1 97 97 PHE CE1 C 13 129.889 0.300 . 1 . . . . 97 PHE CE1 . 10165 1 1159 . 1 1 97 97 PHE HE1 H 1 6.704 0.030 . 1 . . . . 97 PHE HE1 . 10165 1 1160 . 1 1 97 97 PHE CE2 C 13 129.889 0.300 . 1 . . . . 97 PHE CE2 . 10165 1 1161 . 1 1 97 97 PHE HE2 H 1 6.704 0.030 . 1 . . . . 97 PHE HE2 . 10165 1 1162 . 1 1 97 97 PHE CZ C 13 129.323 0.300 . 1 . . . . 97 PHE CZ . 10165 1 1163 . 1 1 97 97 PHE HZ H 1 6.920 0.030 . 1 . . . . 97 PHE HZ . 10165 1 1164 . 1 1 97 97 PHE C C 13 174.316 0.300 . 1 . . . . 97 PHE C . 10165 1 1165 . 1 1 98 98 ASP N N 15 121.809 0.300 . 1 . . . . 98 ASP N . 10165 1 1166 . 1 1 98 98 ASP H H 1 8.297 0.030 . 1 . . . . 98 ASP H . 10165 1 1167 . 1 1 98 98 ASP CA C 13 54.789 0.300 . 1 . . . . 98 ASP CA . 10165 1 1168 . 1 1 98 98 ASP HA H 1 5.006 0.030 . 1 . . . . 98 ASP HA . 10165 1 1169 . 1 1 98 98 ASP CB C 13 42.282 0.300 . 1 . . . . 98 ASP CB . 10165 1 1170 . 1 1 98 98 ASP HB2 H 1 2.690 0.030 . 2 . . . . 98 ASP HB2 . 10165 1 1171 . 1 1 98 98 ASP HB3 H 1 2.478 0.030 . 2 . . . . 98 ASP HB3 . 10165 1 1172 . 1 1 98 98 ASP C C 13 174.959 0.300 . 1 . . . . 98 ASP C . 10165 1 1173 . 1 1 99 99 ILE N N 15 126.714 0.300 . 1 . . . . 99 ILE N . 10165 1 1174 . 1 1 99 99 ILE H H 1 9.331 0.030 . 1 . . . . 99 ILE H . 10165 1 1175 . 1 1 99 99 ILE CA C 13 60.455 0.300 . 1 . . . . 99 ILE CA . 10165 1 1176 . 1 1 99 99 ILE HA H 1 4.016 0.030 . 1 . . . . 99 ILE HA . 10165 1 1177 . 1 1 99 99 ILE CB C 13 42.110 0.300 . 1 . . . . 99 ILE CB . 10165 1 1178 . 1 1 99 99 ILE HB H 1 1.263 0.030 . 1 . . . . 99 ILE HB . 10165 1 1179 . 1 1 99 99 ILE CG1 C 13 26.936 0.300 . 1 . . . . 99 ILE CG1 . 10165 1 1180 . 1 1 99 99 ILE HG12 H 1 0.333 0.030 . 2 . . . . 99 ILE HG12 . 10165 1 1181 . 1 1 99 99 ILE HG13 H 1 1.396 0.030 . 2 . . . . 99 ILE HG13 . 10165 1 1182 . 1 1 99 99 ILE CG2 C 13 15.300 0.300 . 1 . . . . 99 ILE CG2 . 10165 1 1183 . 1 1 99 99 ILE HG21 H 1 -0.065 0.030 . 1 . . . . 99 ILE HG2 . 10165 1 1184 . 1 1 99 99 ILE HG22 H 1 -0.065 0.030 . 1 . . . . 99 ILE HG2 . 10165 1 1185 . 1 1 99 99 ILE HG23 H 1 -0.065 0.030 . 1 . . . . 99 ILE HG2 . 10165 1 1186 . 1 1 99 99 ILE CD1 C 13 14.737 0.300 . 1 . . . . 99 ILE CD1 . 10165 1 1187 . 1 1 99 99 ILE HD11 H 1 0.201 0.030 . 1 . . . . 99 ILE HD1 . 10165 1 1188 . 1 1 99 99 ILE HD12 H 1 0.201 0.030 . 1 . . . . 99 ILE HD1 . 10165 1 1189 . 1 1 99 99 ILE HD13 H 1 0.201 0.030 . 1 . . . . 99 ILE HD1 . 10165 1 1190 . 1 1 99 99 ILE C C 13 175.019 0.300 . 1 . . . . 99 ILE C . 10165 1 1191 . 1 1 100 100 SER N N 15 122.590 0.300 . 1 . . . . 100 SER N . 10165 1 1192 . 1 1 100 100 SER H H 1 8.345 0.030 . 1 . . . . 100 SER H . 10165 1 1193 . 1 1 100 100 SER CA C 13 58.848 0.300 . 1 . . . . 100 SER CA . 10165 1 1194 . 1 1 100 100 SER HA H 1 4.527 0.030 . 1 . . . . 100 SER HA . 10165 1 1195 . 1 1 100 100 SER CB C 13 63.482 0.300 . 1 . . . . 100 SER CB . 10165 1 1196 . 1 1 100 100 SER HB2 H 1 3.760 0.030 . 2 . . . . 100 SER HB2 . 10165 1 1197 . 1 1 100 100 SER HB3 H 1 3.879 0.030 . 2 . . . . 100 SER HB3 . 10165 1 1198 . 1 1 100 100 SER C C 13 173.557 0.300 . 1 . . . . 100 SER C . 10165 1 1199 . 1 1 101 101 LEU N N 15 124.776 0.300 . 1 . . . . 101 LEU N . 10165 1 1200 . 1 1 101 101 LEU H H 1 8.277 0.030 . 1 . . . . 101 LEU H . 10165 1 1201 . 1 1 101 101 LEU CA C 13 52.430 0.300 . 1 . . . . 101 LEU CA . 10165 1 1202 . 1 1 101 101 LEU HA H 1 4.375 0.030 . 1 . . . . 101 LEU HA . 10165 1 1203 . 1 1 101 101 LEU CB C 13 40.427 0.300 . 1 . . . . 101 LEU CB . 10165 1 1204 . 1 1 101 101 LEU HB2 H 1 1.329 0.030 . 2 . . . . 101 LEU HB2 . 10165 1 1205 . 1 1 101 101 LEU HB3 H 1 1.113 0.030 . 2 . . . . 101 LEU HB3 . 10165 1 1206 . 1 1 101 101 LEU CG C 13 27.306 0.300 . 1 . . . . 101 LEU CG . 10165 1 1207 . 1 1 101 101 LEU HG H 1 1.419 0.030 . 1 . . . . 101 LEU HG . 10165 1 1208 . 1 1 101 101 LEU CD1 C 13 25.303 0.300 . 2 . . . . 101 LEU CD1 . 10165 1 1209 . 1 1 101 101 LEU HD11 H 1 0.461 0.030 . 1 . . . . 101 LEU HD1 . 10165 1 1210 . 1 1 101 101 LEU HD12 H 1 0.461 0.030 . 1 . . . . 101 LEU HD1 . 10165 1 1211 . 1 1 101 101 LEU HD13 H 1 0.461 0.030 . 1 . . . . 101 LEU HD1 . 10165 1 1212 . 1 1 101 101 LEU CD2 C 13 22.532 0.300 . 2 . . . . 101 LEU CD2 . 10165 1 1213 . 1 1 101 101 LEU HD21 H 1 0.660 0.030 . 1 . . . . 101 LEU HD2 . 10165 1 1214 . 1 1 101 101 LEU HD22 H 1 0.660 0.030 . 1 . . . . 101 LEU HD2 . 10165 1 1215 . 1 1 101 101 LEU HD23 H 1 0.660 0.030 . 1 . . . . 101 LEU HD2 . 10165 1 1216 . 1 1 101 101 LEU C C 13 174.363 0.300 . 1 . . . . 101 LEU C . 10165 1 1217 . 1 1 102 102 PRO CA C 13 62.488 0.300 . 1 . . . . 102 PRO CA . 10165 1 1218 . 1 1 102 102 PRO HA H 1 4.259 0.030 . 1 . . . . 102 PRO HA . 10165 1 1219 . 1 1 102 102 PRO CB C 13 32.073 0.300 . 1 . . . . 102 PRO CB . 10165 1 1220 . 1 1 102 102 PRO HB2 H 1 1.619 0.030 . 2 . . . . 102 PRO HB2 . 10165 1 1221 . 1 1 102 102 PRO HB3 H 1 2.034 0.030 . 2 . . . . 102 PRO HB3 . 10165 1 1222 . 1 1 102 102 PRO CG C 13 27.043 0.300 . 1 . . . . 102 PRO CG . 10165 1 1223 . 1 1 102 102 PRO HG2 H 1 1.270 0.030 . 2 . . . . 102 PRO HG2 . 10165 1 1224 . 1 1 102 102 PRO HG3 H 1 1.316 0.030 . 2 . . . . 102 PRO HG3 . 10165 1 1225 . 1 1 102 102 PRO CD C 13 50.501 0.300 . 1 . . . . 102 PRO CD . 10165 1 1226 . 1 1 102 102 PRO HD2 H 1 2.969 0.030 . 2 . . . . 102 PRO HD2 . 10165 1 1227 . 1 1 102 102 PRO HD3 H 1 3.109 0.030 . 2 . . . . 102 PRO HD3 . 10165 1 1228 . 1 1 102 102 PRO C C 13 175.687 0.300 . 1 . . . . 102 PRO C . 10165 1 1229 . 1 1 103 103 GLU N N 15 118.843 0.300 . 1 . . . . 103 GLU N . 10165 1 1230 . 1 1 103 103 GLU H H 1 8.286 0.030 . 1 . . . . 103 GLU H . 10165 1 1231 . 1 1 103 103 GLU CA C 13 58.131 0.300 . 1 . . . . 103 GLU CA . 10165 1 1232 . 1 1 103 103 GLU HA H 1 4.013 0.030 . 1 . . . . 103 GLU HA . 10165 1 1233 . 1 1 103 103 GLU CB C 13 30.344 0.300 . 1 . . . . 103 GLU CB . 10165 1 1234 . 1 1 103 103 GLU HB2 H 1 1.986 0.030 . 1 . . . . 103 GLU HB2 . 10165 1 1235 . 1 1 103 103 GLU HB3 H 1 1.986 0.030 . 1 . . . . 103 GLU HB3 . 10165 1 1236 . 1 1 103 103 GLU CG C 13 36.360 0.300 . 1 . . . . 103 GLU CG . 10165 1 1237 . 1 1 103 103 GLU HG2 H 1 2.241 0.030 . 2 . . . . 103 GLU HG2 . 10165 1 1238 . 1 1 103 103 GLU HG3 H 1 2.312 0.030 . 2 . . . . 103 GLU HG3 . 10165 1 1239 . 1 1 103 103 GLU C C 13 176.869 0.300 . 1 . . . . 103 GLU C . 10165 1 1240 . 1 1 104 104 LYS N N 15 116.544 0.300 . 1 . . . . 104 LYS N . 10165 1 1241 . 1 1 104 104 LYS H H 1 7.869 0.030 . 1 . . . . 104 LYS H . 10165 1 1242 . 1 1 104 104 LYS CA C 13 55.314 0.300 . 1 . . . . 104 LYS CA . 10165 1 1243 . 1 1 104 104 LYS HA H 1 4.474 0.030 . 1 . . . . 104 LYS HA . 10165 1 1244 . 1 1 104 104 LYS CB C 13 33.428 0.300 . 1 . . . . 104 LYS CB . 10165 1 1245 . 1 1 104 104 LYS HB2 H 1 1.670 0.030 . 2 . . . . 104 LYS HB2 . 10165 1 1246 . 1 1 104 104 LYS HB3 H 1 1.745 0.030 . 2 . . . . 104 LYS HB3 . 10165 1 1247 . 1 1 104 104 LYS CG C 13 24.665 0.300 . 1 . . . . 104 LYS CG . 10165 1 1248 . 1 1 104 104 LYS HG2 H 1 1.283 0.030 . 1 . . . . 104 LYS HG2 . 10165 1 1249 . 1 1 104 104 LYS HG3 H 1 1.283 0.030 . 1 . . . . 104 LYS HG3 . 10165 1 1250 . 1 1 104 104 LYS CD C 13 29.152 0.300 . 1 . . . . 104 LYS CD . 10165 1 1251 . 1 1 104 104 LYS HD2 H 1 1.632 0.030 . 1 . . . . 104 LYS HD2 . 10165 1 1252 . 1 1 104 104 LYS HD3 H 1 1.632 0.030 . 1 . . . . 104 LYS HD3 . 10165 1 1253 . 1 1 104 104 LYS CE C 13 42.048 0.300 . 1 . . . . 104 LYS CE . 10165 1 1254 . 1 1 104 104 LYS HE2 H 1 2.931 0.030 . 1 . . . . 104 LYS HE2 . 10165 1 1255 . 1 1 104 104 LYS HE3 H 1 2.931 0.030 . 1 . . . . 104 LYS HE3 . 10165 1 1256 . 1 1 104 104 LYS C C 13 175.231 0.300 . 1 . . . . 104 LYS C . 10165 1 1257 . 1 1 105 105 ILE N N 15 122.507 0.300 . 1 . . . . 105 ILE N . 10165 1 1258 . 1 1 105 105 ILE H H 1 8.236 0.030 . 1 . . . . 105 ILE H . 10165 1 1259 . 1 1 105 105 ILE CA C 13 60.636 0.300 . 1 . . . . 105 ILE CA . 10165 1 1260 . 1 1 105 105 ILE HA H 1 4.190 0.030 . 1 . . . . 105 ILE HA . 10165 1 1261 . 1 1 105 105 ILE CB C 13 39.685 0.300 . 1 . . . . 105 ILE CB . 10165 1 1262 . 1 1 105 105 ILE HB H 1 1.824 0.030 . 1 . . . . 105 ILE HB . 10165 1 1263 . 1 1 105 105 ILE CG1 C 13 27.549 0.300 . 1 . . . . 105 ILE CG1 . 10165 1 1264 . 1 1 105 105 ILE HG12 H 1 1.086 0.030 . 2 . . . . 105 ILE HG12 . 10165 1 1265 . 1 1 105 105 ILE HG13 H 1 1.393 0.030 . 2 . . . . 105 ILE HG13 . 10165 1 1266 . 1 1 105 105 ILE CG2 C 13 17.595 0.300 . 1 . . . . 105 ILE CG2 . 10165 1 1267 . 1 1 105 105 ILE HG21 H 1 0.932 0.030 . 1 . . . . 105 ILE HG2 . 10165 1 1268 . 1 1 105 105 ILE HG22 H 1 0.932 0.030 . 1 . . . . 105 ILE HG2 . 10165 1 1269 . 1 1 105 105 ILE HG23 H 1 0.932 0.030 . 1 . . . . 105 ILE HG2 . 10165 1 1270 . 1 1 105 105 ILE CD1 C 13 13.990 0.300 . 1 . . . . 105 ILE CD1 . 10165 1 1271 . 1 1 105 105 ILE HD11 H 1 0.789 0.030 . 1 . . . . 105 ILE HD1 . 10165 1 1272 . 1 1 105 105 ILE HD12 H 1 0.789 0.030 . 1 . . . . 105 ILE HD1 . 10165 1 1273 . 1 1 105 105 ILE HD13 H 1 0.789 0.030 . 1 . . . . 105 ILE HD1 . 10165 1 1274 . 1 1 105 105 ILE C C 13 176.091 0.300 . 1 . . . . 105 ILE C . 10165 1 1275 . 1 1 106 106 GLN N N 15 124.467 0.300 . 1 . . . . 106 GLN N . 10165 1 1276 . 1 1 106 106 GLN H H 1 8.752 0.030 . 1 . . . . 106 GLN H . 10165 1 1277 . 1 1 106 106 GLN CA C 13 56.244 0.300 . 1 . . . . 106 GLN CA . 10165 1 1278 . 1 1 106 106 GLN HA H 1 4.243 0.030 . 1 . . . . 106 GLN HA . 10165 1 1279 . 1 1 106 106 GLN CB C 13 28.717 0.300 . 1 . . . . 106 GLN CB . 10165 1 1280 . 1 1 106 106 GLN HB2 H 1 1.775 0.030 . 2 . . . . 106 GLN HB2 . 10165 1 1281 . 1 1 106 106 GLN HB3 H 1 1.636 0.030 . 2 . . . . 106 GLN HB3 . 10165 1 1282 . 1 1 106 106 GLN CG C 13 33.574 0.300 . 1 . . . . 106 GLN CG . 10165 1 1283 . 1 1 106 106 GLN HG2 H 1 2.430 0.030 . 1 . . . . 106 GLN HG2 . 10165 1 1284 . 1 1 106 106 GLN HG3 H 1 2.430 0.030 . 1 . . . . 106 GLN HG3 . 10165 1 1285 . 1 1 106 106 GLN NE2 N 15 112.508 0.300 . 1 . . . . 106 GLN NE2 . 10165 1 1286 . 1 1 106 106 GLN HE21 H 1 6.877 0.030 . 2 . . . . 106 GLN HE21 . 10165 1 1287 . 1 1 106 106 GLN HE22 H 1 7.537 0.030 . 2 . . . . 106 GLN HE22 . 10165 1 1288 . 1 1 106 106 GLN C C 13 177.593 0.300 . 1 . . . . 106 GLN C . 10165 1 1289 . 1 1 107 107 SER N N 15 116.963 0.300 . 1 . . . . 107 SER N . 10165 1 1290 . 1 1 107 107 SER H H 1 8.623 0.030 . 1 . . . . 107 SER H . 10165 1 1291 . 1 1 107 107 SER CA C 13 60.530 0.300 . 1 . . . . 107 SER CA . 10165 1 1292 . 1 1 107 107 SER HA H 1 4.152 0.030 . 1 . . . . 107 SER HA . 10165 1 1293 . 1 1 107 107 SER CB C 13 63.187 0.300 . 1 . . . . 107 SER CB . 10165 1 1294 . 1 1 107 107 SER HB2 H 1 3.781 0.030 . 2 . . . . 107 SER HB2 . 10165 1 1295 . 1 1 107 107 SER HB3 H 1 3.815 0.030 . 2 . . . . 107 SER HB3 . 10165 1 1296 . 1 1 107 107 SER C C 13 174.222 0.300 . 1 . . . . 107 SER C . 10165 1 1297 . 1 1 108 108 TYR N N 15 116.323 0.300 . 1 . . . . 108 TYR N . 10165 1 1298 . 1 1 108 108 TYR H H 1 7.330 0.030 . 1 . . . . 108 TYR H . 10165 1 1299 . 1 1 108 108 TYR CA C 13 56.727 0.300 . 1 . . . . 108 TYR CA . 10165 1 1300 . 1 1 108 108 TYR HA H 1 4.655 0.030 . 1 . . . . 108 TYR HA . 10165 1 1301 . 1 1 108 108 TYR CB C 13 37.491 0.300 . 1 . . . . 108 TYR CB . 10165 1 1302 . 1 1 108 108 TYR HB2 H 1 3.252 0.030 . 2 . . . . 108 TYR HB2 . 10165 1 1303 . 1 1 108 108 TYR HB3 H 1 3.059 0.030 . 2 . . . . 108 TYR HB3 . 10165 1 1304 . 1 1 108 108 TYR CD1 C 13 133.246 0.300 . 1 . . . . 108 TYR CD1 . 10165 1 1305 . 1 1 108 108 TYR HD1 H 1 7.059 0.030 . 1 . . . . 108 TYR HD1 . 10165 1 1306 . 1 1 108 108 TYR CD2 C 13 133.246 0.300 . 1 . . . . 108 TYR CD2 . 10165 1 1307 . 1 1 108 108 TYR HD2 H 1 7.059 0.030 . 1 . . . . 108 TYR HD2 . 10165 1 1308 . 1 1 108 108 TYR CE1 C 13 118.624 0.300 . 1 . . . . 108 TYR CE1 . 10165 1 1309 . 1 1 108 108 TYR HE1 H 1 6.824 0.030 . 1 . . . . 108 TYR HE1 . 10165 1 1310 . 1 1 108 108 TYR CE2 C 13 118.624 0.300 . 1 . . . . 108 TYR CE2 . 10165 1 1311 . 1 1 108 108 TYR HE2 H 1 6.824 0.030 . 1 . . . . 108 TYR HE2 . 10165 1 1312 . 1 1 108 108 TYR C C 13 175.768 0.300 . 1 . . . . 108 TYR C . 10165 1 1313 . 1 1 109 109 GLU N N 15 120.523 0.300 . 1 . . . . 109 GLU N . 10165 1 1314 . 1 1 109 109 GLU H H 1 7.587 0.030 . 1 . . . . 109 GLU H . 10165 1 1315 . 1 1 109 109 GLU CA C 13 55.573 0.300 . 1 . . . . 109 GLU CA . 10165 1 1316 . 1 1 109 109 GLU HA H 1 4.582 0.030 . 1 . . . . 109 GLU HA . 10165 1 1317 . 1 1 109 109 GLU CB C 13 31.360 0.300 . 1 . . . . 109 GLU CB . 10165 1 1318 . 1 1 109 109 GLU HB2 H 1 1.874 0.030 . 2 . . . . 109 GLU HB2 . 10165 1 1319 . 1 1 109 109 GLU HB3 H 1 2.047 0.030 . 2 . . . . 109 GLU HB3 . 10165 1 1320 . 1 1 109 109 GLU CG C 13 34.899 0.300 . 1 . . . . 109 GLU CG . 10165 1 1321 . 1 1 109 109 GLU HG2 H 1 2.061 0.030 . 2 . . . . 109 GLU HG2 . 10165 1 1322 . 1 1 109 109 GLU HG3 H 1 2.280 0.030 . 2 . . . . 109 GLU HG3 . 10165 1 1323 . 1 1 109 109 GLU C C 13 176.013 0.300 . 1 . . . . 109 GLU C . 10165 1 1324 . 1 1 110 110 ARG N N 15 118.559 0.300 . 1 . . . . 110 ARG N . 10165 1 1325 . 1 1 110 110 ARG H H 1 8.441 0.030 . 1 . . . . 110 ARG H . 10165 1 1326 . 1 1 110 110 ARG CA C 13 55.667 0.300 . 1 . . . . 110 ARG CA . 10165 1 1327 . 1 1 110 110 ARG HA H 1 4.786 0.030 . 1 . . . . 110 ARG HA . 10165 1 1328 . 1 1 110 110 ARG CB C 13 32.404 0.300 . 1 . . . . 110 ARG CB . 10165 1 1329 . 1 1 110 110 ARG HB2 H 1 1.721 0.030 . 2 . . . . 110 ARG HB2 . 10165 1 1330 . 1 1 110 110 ARG HB3 H 1 1.865 0.030 . 2 . . . . 110 ARG HB3 . 10165 1 1331 . 1 1 110 110 ARG CG C 13 27.590 0.300 . 1 . . . . 110 ARG CG . 10165 1 1332 . 1 1 110 110 ARG HG2 H 1 1.559 0.030 . 2 . . . . 110 ARG HG2 . 10165 1 1333 . 1 1 110 110 ARG HG3 H 1 1.763 0.030 . 2 . . . . 110 ARG HG3 . 10165 1 1334 . 1 1 110 110 ARG CD C 13 43.575 0.300 . 1 . . . . 110 ARG CD . 10165 1 1335 . 1 1 110 110 ARG HD2 H 1 3.340 0.030 . 2 . . . . 110 ARG HD2 . 10165 1 1336 . 1 1 110 110 ARG HD3 H 1 3.189 0.030 . 2 . . . . 110 ARG HD3 . 10165 1 1337 . 1 1 110 110 ARG NE N 15 83.987 0.300 . 1 . . . . 110 ARG NE . 10165 1 1338 . 1 1 110 110 ARG HE H 1 7.823 0.030 . 1 . . . . 110 ARG HE . 10165 1 1339 . 1 1 110 110 ARG C C 13 174.387 0.300 . 1 . . . . 110 ARG C . 10165 1 1340 . 1 1 111 111 MET N N 15 122.471 0.300 . 1 . . . . 111 MET N . 10165 1 1341 . 1 1 111 111 MET H H 1 8.665 0.030 . 1 . . . . 111 MET H . 10165 1 1342 . 1 1 111 111 MET CA C 13 54.151 0.300 . 1 . . . . 111 MET CA . 10165 1 1343 . 1 1 111 111 MET HA H 1 5.167 0.030 . 1 . . . . 111 MET HA . 10165 1 1344 . 1 1 111 111 MET CB C 13 35.735 0.300 . 1 . . . . 111 MET CB . 10165 1 1345 . 1 1 111 111 MET HB2 H 1 2.090 0.030 . 1 . . . . 111 MET HB2 . 10165 1 1346 . 1 1 111 111 MET HB3 H 1 2.090 0.030 . 1 . . . . 111 MET HB3 . 10165 1 1347 . 1 1 111 111 MET CG C 13 31.355 0.300 . 1 . . . . 111 MET CG . 10165 1 1348 . 1 1 111 111 MET HG2 H 1 2.365 0.030 . 2 . . . . 111 MET HG2 . 10165 1 1349 . 1 1 111 111 MET HG3 H 1 2.540 0.030 . 2 . . . . 111 MET HG3 . 10165 1 1350 . 1 1 111 111 MET CE C 13 16.323 0.300 . 1 . . . . 111 MET CE . 10165 1 1351 . 1 1 111 111 MET HE1 H 1 1.547 0.030 . 1 . . . . 111 MET HE . 10165 1 1352 . 1 1 111 111 MET HE2 H 1 1.547 0.030 . 1 . . . . 111 MET HE . 10165 1 1353 . 1 1 111 111 MET HE3 H 1 1.547 0.030 . 1 . . . . 111 MET HE . 10165 1 1354 . 1 1 111 111 MET C C 13 174.924 0.300 . 1 . . . . 111 MET C . 10165 1 1355 . 1 1 112 112 GLU N N 15 119.500 0.300 . 1 . . . . 112 GLU N . 10165 1 1356 . 1 1 112 112 GLU H H 1 7.951 0.030 . 1 . . . . 112 GLU H . 10165 1 1357 . 1 1 112 112 GLU CA C 13 53.909 0.300 . 1 . . . . 112 GLU CA . 10165 1 1358 . 1 1 112 112 GLU HA H 1 5.662 0.030 . 1 . . . . 112 GLU HA . 10165 1 1359 . 1 1 112 112 GLU CB C 13 35.198 0.300 . 1 . . . . 112 GLU CB . 10165 1 1360 . 1 1 112 112 GLU HB2 H 1 1.680 0.030 . 2 . . . . 112 GLU HB2 . 10165 1 1361 . 1 1 112 112 GLU HB3 H 1 2.315 0.030 . 2 . . . . 112 GLU HB3 . 10165 1 1362 . 1 1 112 112 GLU CG C 13 35.940 0.300 . 1 . . . . 112 GLU CG . 10165 1 1363 . 1 1 112 112 GLU HG2 H 1 2.187 0.030 . 2 . . . . 112 GLU HG2 . 10165 1 1364 . 1 1 112 112 GLU HG3 H 1 2.077 0.030 . 2 . . . . 112 GLU HG3 . 10165 1 1365 . 1 1 112 112 GLU C C 13 174.483 0.300 . 1 . . . . 112 GLU C . 10165 1 1366 . 1 1 113 113 PHE N N 15 115.033 0.300 . 1 . . . . 113 PHE N . 10165 1 1367 . 1 1 113 113 PHE H H 1 9.278 0.030 . 1 . . . . 113 PHE H . 10165 1 1368 . 1 1 113 113 PHE CA C 13 55.857 0.300 . 1 . . . . 113 PHE CA . 10165 1 1369 . 1 1 113 113 PHE HA H 1 6.262 0.030 . 1 . . . . 113 PHE HA . 10165 1 1370 . 1 1 113 113 PHE CB C 13 43.656 0.300 . 1 . . . . 113 PHE CB . 10165 1 1371 . 1 1 113 113 PHE HB2 H 1 3.169 0.030 . 2 . . . . 113 PHE HB2 . 10165 1 1372 . 1 1 113 113 PHE HB3 H 1 2.946 0.030 . 2 . . . . 113 PHE HB3 . 10165 1 1373 . 1 1 113 113 PHE CD1 C 13 132.402 0.300 . 1 . . . . 113 PHE CD1 . 10165 1 1374 . 1 1 113 113 PHE HD1 H 1 6.771 0.030 . 1 . . . . 113 PHE HD1 . 10165 1 1375 . 1 1 113 113 PHE CD2 C 13 132.402 0.300 . 1 . . . . 113 PHE CD2 . 10165 1 1376 . 1 1 113 113 PHE HD2 H 1 6.771 0.030 . 1 . . . . 113 PHE HD2 . 10165 1 1377 . 1 1 113 113 PHE CE1 C 13 130.438 0.300 . 1 . . . . 113 PHE CE1 . 10165 1 1378 . 1 1 113 113 PHE HE1 H 1 6.742 0.030 . 1 . . . . 113 PHE HE1 . 10165 1 1379 . 1 1 113 113 PHE CE2 C 13 130.438 0.300 . 1 . . . . 113 PHE CE2 . 10165 1 1380 . 1 1 113 113 PHE HE2 H 1 6.742 0.030 . 1 . . . . 113 PHE HE2 . 10165 1 1381 . 1 1 113 113 PHE CZ C 13 128.606 0.300 . 1 . . . . 113 PHE CZ . 10165 1 1382 . 1 1 113 113 PHE HZ H 1 6.896 0.030 . 1 . . . . 113 PHE HZ . 10165 1 1383 . 1 1 113 113 PHE C C 13 172.253 0.300 . 1 . . . . 113 PHE C . 10165 1 1384 . 1 1 114 114 ALA N N 15 121.461 0.300 . 1 . . . . 114 ALA N . 10165 1 1385 . 1 1 114 114 ALA H H 1 9.475 0.030 . 1 . . . . 114 ALA H . 10165 1 1386 . 1 1 114 114 ALA CA C 13 50.860 0.300 . 1 . . . . 114 ALA CA . 10165 1 1387 . 1 1 114 114 ALA HA H 1 5.026 0.030 . 1 . . . . 114 ALA HA . 10165 1 1388 . 1 1 114 114 ALA CB C 13 23.129 0.300 . 1 . . . . 114 ALA CB . 10165 1 1389 . 1 1 114 114 ALA HB1 H 1 1.715 0.030 . 1 . . . . 114 ALA HB . 10165 1 1390 . 1 1 114 114 ALA HB2 H 1 1.715 0.030 . 1 . . . . 114 ALA HB . 10165 1 1391 . 1 1 114 114 ALA HB3 H 1 1.715 0.030 . 1 . . . . 114 ALA HB . 10165 1 1392 . 1 1 114 114 ALA C C 13 174.903 0.300 . 1 . . . . 114 ALA C . 10165 1 1393 . 1 1 115 115 VAL N N 15 120.899 0.300 . 1 . . . . 115 VAL N . 10165 1 1394 . 1 1 115 115 VAL H H 1 8.928 0.030 . 1 . . . . 115 VAL H . 10165 1 1395 . 1 1 115 115 VAL CA C 13 61.379 0.300 . 1 . . . . 115 VAL CA . 10165 1 1396 . 1 1 115 115 VAL HA H 1 4.798 0.030 . 1 . . . . 115 VAL HA . 10165 1 1397 . 1 1 115 115 VAL CB C 13 34.712 0.300 . 1 . . . . 115 VAL CB . 10165 1 1398 . 1 1 115 115 VAL HB H 1 2.271 0.030 . 1 . . . . 115 VAL HB . 10165 1 1399 . 1 1 115 115 VAL CG1 C 13 22.817 0.300 . 2 . . . . 115 VAL CG1 . 10165 1 1400 . 1 1 115 115 VAL HG11 H 1 0.789 0.030 . 1 . . . . 115 VAL HG1 . 10165 1 1401 . 1 1 115 115 VAL HG12 H 1 0.789 0.030 . 1 . . . . 115 VAL HG1 . 10165 1 1402 . 1 1 115 115 VAL HG13 H 1 0.789 0.030 . 1 . . . . 115 VAL HG1 . 10165 1 1403 . 1 1 115 115 VAL CG2 C 13 20.779 0.300 . 2 . . . . 115 VAL CG2 . 10165 1 1404 . 1 1 115 115 VAL HG21 H 1 1.053 0.030 . 1 . . . . 115 VAL HG2 . 10165 1 1405 . 1 1 115 115 VAL HG22 H 1 1.053 0.030 . 1 . . . . 115 VAL HG2 . 10165 1 1406 . 1 1 115 115 VAL HG23 H 1 1.053 0.030 . 1 . . . . 115 VAL HG2 . 10165 1 1407 . 1 1 115 115 VAL C C 13 174.444 0.300 . 1 . . . . 115 VAL C . 10165 1 1408 . 1 1 116 116 TYR N N 15 123.426 0.300 . 1 . . . . 116 TYR N . 10165 1 1409 . 1 1 116 116 TYR H H 1 8.963 0.030 . 1 . . . . 116 TYR H . 10165 1 1410 . 1 1 116 116 TYR CA C 13 55.480 0.300 . 1 . . . . 116 TYR CA . 10165 1 1411 . 1 1 116 116 TYR HA H 1 5.081 0.030 . 1 . . . . 116 TYR HA . 10165 1 1412 . 1 1 116 116 TYR CB C 13 38.928 0.300 . 1 . . . . 116 TYR CB . 10165 1 1413 . 1 1 116 116 TYR HB2 H 1 1.561 0.030 . 2 . . . . 116 TYR HB2 . 10165 1 1414 . 1 1 116 116 TYR HB3 H 1 0.813 0.030 . 2 . . . . 116 TYR HB3 . 10165 1 1415 . 1 1 116 116 TYR CD1 C 13 133.308 0.300 . 1 . . . . 116 TYR CD1 . 10165 1 1416 . 1 1 116 116 TYR HD1 H 1 6.343 0.030 . 1 . . . . 116 TYR HD1 . 10165 1 1417 . 1 1 116 116 TYR CD2 C 13 133.308 0.300 . 1 . . . . 116 TYR CD2 . 10165 1 1418 . 1 1 116 116 TYR HD2 H 1 6.343 0.030 . 1 . . . . 116 TYR HD2 . 10165 1 1419 . 1 1 116 116 TYR CE1 C 13 116.915 0.300 . 1 . . . . 116 TYR CE1 . 10165 1 1420 . 1 1 116 116 TYR HE1 H 1 6.483 0.030 . 1 . . . . 116 TYR HE1 . 10165 1 1421 . 1 1 116 116 TYR CE2 C 13 116.915 0.300 . 1 . . . . 116 TYR CE2 . 10165 1 1422 . 1 1 116 116 TYR HE2 H 1 6.483 0.030 . 1 . . . . 116 TYR HE2 . 10165 1 1423 . 1 1 116 116 TYR C C 13 172.208 0.300 . 1 . . . . 116 TYR C . 10165 1 1424 . 1 1 117 117 TYR N N 15 123.249 0.300 . 1 . . . . 117 TYR N . 10165 1 1425 . 1 1 117 117 TYR H H 1 8.858 0.030 . 1 . . . . 117 TYR H . 10165 1 1426 . 1 1 117 117 TYR CA C 13 52.371 0.300 . 1 . . . . 117 TYR CA . 10165 1 1427 . 1 1 117 117 TYR HA H 1 5.528 0.030 . 1 . . . . 117 TYR HA . 10165 1 1428 . 1 1 117 117 TYR CB C 13 41.509 0.300 . 1 . . . . 117 TYR CB . 10165 1 1429 . 1 1 117 117 TYR HB2 H 1 2.636 0.030 . 2 . . . . 117 TYR HB2 . 10165 1 1430 . 1 1 117 117 TYR HB3 H 1 2.912 0.030 . 2 . . . . 117 TYR HB3 . 10165 1 1431 . 1 1 117 117 TYR CD1 C 13 132.029 0.300 . 1 . . . . 117 TYR CD1 . 10165 1 1432 . 1 1 117 117 TYR HD1 H 1 6.881 0.030 . 1 . . . . 117 TYR HD1 . 10165 1 1433 . 1 1 117 117 TYR CD2 C 13 132.029 0.300 . 1 . . . . 117 TYR CD2 . 10165 1 1434 . 1 1 117 117 TYR HD2 H 1 6.881 0.030 . 1 . . . . 117 TYR HD2 . 10165 1 1435 . 1 1 117 117 TYR CE1 C 13 118.544 0.300 . 1 . . . . 117 TYR CE1 . 10165 1 1436 . 1 1 117 117 TYR HE1 H 1 6.612 0.030 . 1 . . . . 117 TYR HE1 . 10165 1 1437 . 1 1 117 117 TYR CE2 C 13 118.544 0.300 . 1 . . . . 117 TYR CE2 . 10165 1 1438 . 1 1 117 117 TYR HE2 H 1 6.612 0.030 . 1 . . . . 117 TYR HE2 . 10165 1 1439 . 1 1 117 117 TYR C C 13 173.159 0.300 . 1 . . . . 117 TYR C . 10165 1 1440 . 1 1 118 118 GLU N N 15 127.681 0.300 . 1 . . . . 118 GLU N . 10165 1 1441 . 1 1 118 118 GLU H H 1 9.368 0.030 . 1 . . . . 118 GLU H . 10165 1 1442 . 1 1 118 118 GLU CA C 13 54.179 0.300 . 1 . . . . 118 GLU CA . 10165 1 1443 . 1 1 118 118 GLU HA H 1 5.085 0.030 . 1 . . . . 118 GLU HA . 10165 1 1444 . 1 1 118 118 GLU CB C 13 32.099 0.300 . 1 . . . . 118 GLU CB . 10165 1 1445 . 1 1 118 118 GLU HB2 H 1 1.815 0.030 . 2 . . . . 118 GLU HB2 . 10165 1 1446 . 1 1 118 118 GLU HB3 H 1 1.855 0.030 . 2 . . . . 118 GLU HB3 . 10165 1 1447 . 1 1 118 118 GLU CG C 13 36.216 0.300 . 1 . . . . 118 GLU CG . 10165 1 1448 . 1 1 118 118 GLU HG2 H 1 2.044 0.030 . 1 . . . . 118 GLU HG2 . 10165 1 1449 . 1 1 118 118 GLU HG3 H 1 2.044 0.030 . 1 . . . . 118 GLU HG3 . 10165 1 1450 . 1 1 118 118 GLU C C 13 175.565 0.300 . 1 . . . . 118 GLU C . 10165 1 1451 . 1 1 119 119 CYS N N 15 122.152 0.300 . 1 . . . . 119 CYS N . 10165 1 1452 . 1 1 119 119 CYS H H 1 8.323 0.030 . 1 . . . . 119 CYS H . 10165 1 1453 . 1 1 119 119 CYS CA C 13 58.248 0.300 . 1 . . . . 119 CYS CA . 10165 1 1454 . 1 1 119 119 CYS HA H 1 4.479 0.030 . 1 . . . . 119 CYS HA . 10165 1 1455 . 1 1 119 119 CYS CB C 13 29.065 0.300 . 1 . . . . 119 CYS CB . 10165 1 1456 . 1 1 119 119 CYS HB2 H 1 2.497 0.030 . 2 . . . . 119 CYS HB2 . 10165 1 1457 . 1 1 119 119 CYS HB3 H 1 2.291 0.030 . 2 . . . . 119 CYS HB3 . 10165 1 1458 . 1 1 119 119 CYS C C 13 174.586 0.300 . 1 . . . . 119 CYS C . 10165 1 1459 . 1 1 120 120 ASN N N 15 126.917 0.300 . 1 . . . . 120 ASN N . 10165 1 1460 . 1 1 120 120 ASN H H 1 9.858 0.030 . 1 . . . . 120 ASN H . 10165 1 1461 . 1 1 120 120 ASN CA C 13 53.735 0.300 . 1 . . . . 120 ASN CA . 10165 1 1462 . 1 1 120 120 ASN HA H 1 4.342 0.030 . 1 . . . . 120 ASN HA . 10165 1 1463 . 1 1 120 120 ASN CB C 13 37.873 0.300 . 1 . . . . 120 ASN CB . 10165 1 1464 . 1 1 120 120 ASN HB2 H 1 3.100 0.030 . 2 . . . . 120 ASN HB2 . 10165 1 1465 . 1 1 120 120 ASN HB3 H 1 2.377 0.030 . 2 . . . . 120 ASN HB3 . 10165 1 1466 . 1 1 120 120 ASN ND2 N 15 111.570 0.300 . 1 . . . . 120 ASN ND2 . 10165 1 1467 . 1 1 120 120 ASN HD21 H 1 7.498 0.030 . 2 . . . . 120 ASN HD21 . 10165 1 1468 . 1 1 120 120 ASN HD22 H 1 6.610 0.030 . 2 . . . . 120 ASN HD22 . 10165 1 1469 . 1 1 120 120 ASN C C 13 174.943 0.300 . 1 . . . . 120 ASN C . 10165 1 1470 . 1 1 121 121 GLY N N 15 104.866 0.300 . 1 . . . . 121 GLY N . 10165 1 1471 . 1 1 121 121 GLY H H 1 8.776 0.030 . 1 . . . . 121 GLY H . 10165 1 1472 . 1 1 121 121 GLY CA C 13 45.586 0.300 . 1 . . . . 121 GLY CA . 10165 1 1473 . 1 1 121 121 GLY HA2 H 1 4.041 0.030 . 2 . . . . 121 GLY HA2 . 10165 1 1474 . 1 1 121 121 GLY HA3 H 1 3.553 0.030 . 2 . . . . 121 GLY HA3 . 10165 1 1475 . 1 1 121 121 GLY C C 13 173.804 0.300 . 1 . . . . 121 GLY C . 10165 1 1476 . 1 1 122 122 GLN N N 15 119.988 0.300 . 1 . . . . 122 GLN N . 10165 1 1477 . 1 1 122 122 GLN H H 1 7.677 0.030 . 1 . . . . 122 GLN H . 10165 1 1478 . 1 1 122 122 GLN CA C 13 53.624 0.300 . 1 . . . . 122 GLN CA . 10165 1 1479 . 1 1 122 122 GLN HA H 1 4.395 0.030 . 1 . . . . 122 GLN HA . 10165 1 1480 . 1 1 122 122 GLN CB C 13 31.456 0.300 . 1 . . . . 122 GLN CB . 10165 1 1481 . 1 1 122 122 GLN HB2 H 1 1.642 0.030 . 2 . . . . 122 GLN HB2 . 10165 1 1482 . 1 1 122 122 GLN HB3 H 1 1.518 0.030 . 2 . . . . 122 GLN HB3 . 10165 1 1483 . 1 1 122 122 GLN CG C 13 33.480 0.300 . 1 . . . . 122 GLN CG . 10165 1 1484 . 1 1 122 122 GLN HG2 H 1 2.133 0.030 . 1 . . . . 122 GLN HG2 . 10165 1 1485 . 1 1 122 122 GLN HG3 H 1 2.133 0.030 . 1 . . . . 122 GLN HG3 . 10165 1 1486 . 1 1 122 122 GLN NE2 N 15 112.770 0.300 . 1 . . . . 122 GLN NE2 . 10165 1 1487 . 1 1 122 122 GLN HE21 H 1 6.787 0.030 . 2 . . . . 122 GLN HE21 . 10165 1 1488 . 1 1 122 122 GLN HE22 H 1 7.390 0.030 . 2 . . . . 122 GLN HE22 . 10165 1 1489 . 1 1 122 122 GLN C C 13 174.029 0.300 . 1 . . . . 122 GLN C . 10165 1 1490 . 1 1 123 123 THR N N 15 116.337 0.300 . 1 . . . . 123 THR N . 10165 1 1491 . 1 1 123 123 THR H H 1 7.990 0.030 . 1 . . . . 123 THR H . 10165 1 1492 . 1 1 123 123 THR CA C 13 61.935 0.300 . 1 . . . . 123 THR CA . 10165 1 1493 . 1 1 123 123 THR HA H 1 4.620 0.030 . 1 . . . . 123 THR HA . 10165 1 1494 . 1 1 123 123 THR CB C 13 70.005 0.300 . 1 . . . . 123 THR CB . 10165 1 1495 . 1 1 123 123 THR HB H 1 3.685 0.030 . 1 . . . . 123 THR HB . 10165 1 1496 . 1 1 123 123 THR CG2 C 13 22.018 0.300 . 1 . . . . 123 THR CG2 . 10165 1 1497 . 1 1 123 123 THR HG21 H 1 0.611 0.030 . 1 . . . . 123 THR HG2 . 10165 1 1498 . 1 1 123 123 THR HG22 H 1 0.611 0.030 . 1 . . . . 123 THR HG2 . 10165 1 1499 . 1 1 123 123 THR HG23 H 1 0.611 0.030 . 1 . . . . 123 THR HG2 . 10165 1 1500 . 1 1 123 123 THR C C 13 172.596 0.300 . 1 . . . . 123 THR C . 10165 1 1501 . 1 1 124 124 TYR N N 15 128.915 0.300 . 1 . . . . 124 TYR N . 10165 1 1502 . 1 1 124 124 TYR H H 1 9.416 0.030 . 1 . . . . 124 TYR H . 10165 1 1503 . 1 1 124 124 TYR CA C 13 56.388 0.300 . 1 . . . . 124 TYR CA . 10165 1 1504 . 1 1 124 124 TYR HA H 1 4.962 0.030 . 1 . . . . 124 TYR HA . 10165 1 1505 . 1 1 124 124 TYR CB C 13 40.688 0.300 . 1 . . . . 124 TYR CB . 10165 1 1506 . 1 1 124 124 TYR HB2 H 1 2.781 0.030 . 2 . . . . 124 TYR HB2 . 10165 1 1507 . 1 1 124 124 TYR HB3 H 1 3.869 0.030 . 2 . . . . 124 TYR HB3 . 10165 1 1508 . 1 1 124 124 TYR CD1 C 13 133.459 0.300 . 1 . . . . 124 TYR CD1 . 10165 1 1509 . 1 1 124 124 TYR HD1 H 1 6.957 0.030 . 1 . . . . 124 TYR HD1 . 10165 1 1510 . 1 1 124 124 TYR CD2 C 13 133.459 0.300 . 1 . . . . 124 TYR CD2 . 10165 1 1511 . 1 1 124 124 TYR HD2 H 1 6.957 0.030 . 1 . . . . 124 TYR HD2 . 10165 1 1512 . 1 1 124 124 TYR CE1 C 13 117.443 0.300 . 1 . . . . 124 TYR CE1 . 10165 1 1513 . 1 1 124 124 TYR HE1 H 1 6.444 0.030 . 1 . . . . 124 TYR HE1 . 10165 1 1514 . 1 1 124 124 TYR CE2 C 13 117.443 0.300 . 1 . . . . 124 TYR CE2 . 10165 1 1515 . 1 1 124 124 TYR HE2 H 1 6.444 0.030 . 1 . . . . 124 TYR HE2 . 10165 1 1516 . 1 1 124 124 TYR C C 13 174.284 0.300 . 1 . . . . 124 TYR C . 10165 1 1517 . 1 1 125 125 TRP N N 15 119.850 0.300 . 1 . . . . 125 TRP N . 10165 1 1518 . 1 1 125 125 TRP H H 1 8.738 0.030 . 1 . . . . 125 TRP H . 10165 1 1519 . 1 1 125 125 TRP CA C 13 56.940 0.300 . 1 . . . . 125 TRP CA . 10165 1 1520 . 1 1 125 125 TRP HA H 1 5.388 0.030 . 1 . . . . 125 TRP HA . 10165 1 1521 . 1 1 125 125 TRP CB C 13 33.031 0.300 . 1 . . . . 125 TRP CB . 10165 1 1522 . 1 1 125 125 TRP HB2 H 1 2.944 0.030 . 2 . . . . 125 TRP HB2 . 10165 1 1523 . 1 1 125 125 TRP HB3 H 1 3.053 0.030 . 2 . . . . 125 TRP HB3 . 10165 1 1524 . 1 1 125 125 TRP CD1 C 13 126.423 0.300 . 1 . . . . 125 TRP CD1 . 10165 1 1525 . 1 1 125 125 TRP HD1 H 1 7.110 0.030 . 1 . . . . 125 TRP HD1 . 10165 1 1526 . 1 1 125 125 TRP NE1 N 15 129.730 0.300 . 1 . . . . 125 TRP NE1 . 10165 1 1527 . 1 1 125 125 TRP HE1 H 1 9.938 0.030 . 1 . . . . 125 TRP HE1 . 10165 1 1528 . 1 1 125 125 TRP CE3 C 13 120.807 0.300 . 1 . . . . 125 TRP CE3 . 10165 1 1529 . 1 1 125 125 TRP HE3 H 1 7.373 0.030 . 1 . . . . 125 TRP HE3 . 10165 1 1530 . 1 1 125 125 TRP CZ2 C 13 114.059 0.300 . 1 . . . . 125 TRP CZ2 . 10165 1 1531 . 1 1 125 125 TRP HZ2 H 1 6.931 0.030 . 1 . . . . 125 TRP HZ2 . 10165 1 1532 . 1 1 125 125 TRP CZ3 C 13 120.171 0.300 . 1 . . . . 125 TRP CZ3 . 10165 1 1533 . 1 1 125 125 TRP HZ3 H 1 6.738 0.030 . 1 . . . . 125 TRP HZ3 . 10165 1 1534 . 1 1 125 125 TRP CH2 C 13 124.011 0.300 . 1 . . . . 125 TRP CH2 . 10165 1 1535 . 1 1 125 125 TRP HH2 H 1 6.557 0.030 . 1 . . . . 125 TRP HH2 . 10165 1 1536 . 1 1 125 125 TRP C C 13 176.973 0.300 . 1 . . . . 125 TRP C . 10165 1 1537 . 1 1 126 126 ASP N N 15 118.759 0.300 . 1 . . . . 126 ASP N . 10165 1 1538 . 1 1 126 126 ASP H H 1 9.436 0.030 . 1 . . . . 126 ASP H . 10165 1 1539 . 1 1 126 126 ASP CA C 13 53.968 0.300 . 1 . . . . 126 ASP CA . 10165 1 1540 . 1 1 126 126 ASP HA H 1 5.213 0.030 . 1 . . . . 126 ASP HA . 10165 1 1541 . 1 1 126 126 ASP CB C 13 42.641 0.300 . 1 . . . . 126 ASP CB . 10165 1 1542 . 1 1 126 126 ASP HB2 H 1 2.993 0.030 . 2 . . . . 126 ASP HB2 . 10165 1 1543 . 1 1 126 126 ASP HB3 H 1 2.821 0.030 . 2 . . . . 126 ASP HB3 . 10165 1 1544 . 1 1 126 126 ASP C C 13 176.043 0.300 . 1 . . . . 126 ASP C . 10165 1 1545 . 1 1 127 127 SER N N 15 119.074 0.300 . 1 . . . . 127 SER N . 10165 1 1546 . 1 1 127 127 SER H H 1 8.520 0.030 . 1 . . . . 127 SER H . 10165 1 1547 . 1 1 127 127 SER CA C 13 55.118 0.300 . 1 . . . . 127 SER CA . 10165 1 1548 . 1 1 127 127 SER HA H 1 4.811 0.030 . 1 . . . . 127 SER HA . 10165 1 1549 . 1 1 127 127 SER CB C 13 63.866 0.300 . 1 . . . . 127 SER CB . 10165 1 1550 . 1 1 127 127 SER HB2 H 1 4.110 0.030 . 2 . . . . 127 SER HB2 . 10165 1 1551 . 1 1 127 127 SER HB3 H 1 3.510 0.030 . 2 . . . . 127 SER HB3 . 10165 1 1552 . 1 1 127 127 SER C C 13 175.840 0.300 . 1 . . . . 127 SER C . 10165 1 1553 . 1 1 128 128 ASN N N 15 124.865 0.300 . 1 . . . . 128 ASN N . 10165 1 1554 . 1 1 128 128 ASN H H 1 9.242 0.030 . 1 . . . . 128 ASN H . 10165 1 1555 . 1 1 128 128 ASN CA C 13 53.224 0.300 . 1 . . . . 128 ASN CA . 10165 1 1556 . 1 1 128 128 ASN HA H 1 4.071 0.030 . 1 . . . . 128 ASN HA . 10165 1 1557 . 1 1 128 128 ASN CB C 13 34.281 0.300 . 1 . . . . 128 ASN CB . 10165 1 1558 . 1 1 128 128 ASN HB2 H 1 2.187 0.030 . 2 . . . . 128 ASN HB2 . 10165 1 1559 . 1 1 128 128 ASN HB3 H 1 -0.172 0.030 . 2 . . . . 128 ASN HB3 . 10165 1 1560 . 1 1 128 128 ASN ND2 N 15 107.840 0.300 . 1 . . . . 128 ASN ND2 . 10165 1 1561 . 1 1 128 128 ASN HD21 H 1 6.517 0.030 . 2 . . . . 128 ASN HD21 . 10165 1 1562 . 1 1 128 128 ASN HD22 H 1 6.759 0.030 . 2 . . . . 128 ASN HD22 . 10165 1 1563 . 1 1 128 128 ASN C C 13 176.607 0.300 . 1 . . . . 128 ASN C . 10165 1 1564 . 1 1 129 129 ARG N N 15 114.718 0.300 . 1 . . . . 129 ARG N . 10165 1 1565 . 1 1 129 129 ARG H H 1 9.475 0.030 . 1 . . . . 129 ARG H . 10165 1 1566 . 1 1 129 129 ARG CA C 13 56.798 0.300 . 1 . . . . 129 ARG CA . 10165 1 1567 . 1 1 129 129 ARG HA H 1 3.774 0.030 . 1 . . . . 129 ARG HA . 10165 1 1568 . 1 1 129 129 ARG CB C 13 27.145 0.300 . 1 . . . . 129 ARG CB . 10165 1 1569 . 1 1 129 129 ARG HB2 H 1 1.865 0.030 . 1 . . . . 129 ARG HB2 . 10165 1 1570 . 1 1 129 129 ARG HB3 H 1 1.865 0.030 . 1 . . . . 129 ARG HB3 . 10165 1 1571 . 1 1 129 129 ARG CG C 13 28.395 0.300 . 1 . . . . 129 ARG CG . 10165 1 1572 . 1 1 129 129 ARG HG2 H 1 1.398 0.030 . 2 . . . . 129 ARG HG2 . 10165 1 1573 . 1 1 129 129 ARG HG3 H 1 1.576 0.030 . 2 . . . . 129 ARG HG3 . 10165 1 1574 . 1 1 129 129 ARG CD C 13 43.506 0.300 . 1 . . . . 129 ARG CD . 10165 1 1575 . 1 1 129 129 ARG HD2 H 1 3.175 0.030 . 1 . . . . 129 ARG HD2 . 10165 1 1576 . 1 1 129 129 ARG HD3 H 1 3.175 0.030 . 1 . . . . 129 ARG HD3 . 10165 1 1577 . 1 1 129 129 ARG NE N 15 85.636 0.300 . 1 . . . . 129 ARG NE . 10165 1 1578 . 1 1 129 129 ARG HE H 1 7.326 0.030 . 1 . . . . 129 ARG HE . 10165 1 1579 . 1 1 129 129 ARG C C 13 176.132 0.300 . 1 . . . . 129 ARG C . 10165 1 1580 . 1 1 130 130 GLY N N 15 106.337 0.300 . 1 . . . . 130 GLY N . 10165 1 1581 . 1 1 130 130 GLY H H 1 7.568 0.030 . 1 . . . . 130 GLY H . 10165 1 1582 . 1 1 130 130 GLY CA C 13 44.896 0.300 . 1 . . . . 130 GLY CA . 10165 1 1583 . 1 1 130 130 GLY HA2 H 1 4.103 0.030 . 2 . . . . 130 GLY HA2 . 10165 1 1584 . 1 1 130 130 GLY HA3 H 1 3.425 0.030 . 2 . . . . 130 GLY HA3 . 10165 1 1585 . 1 1 130 130 GLY C C 13 174.521 0.300 . 1 . . . . 130 GLY C . 10165 1 1586 . 1 1 131 131 LYS N N 15 119.902 0.300 . 1 . . . . 131 LYS N . 10165 1 1587 . 1 1 131 131 LYS H H 1 7.278 0.030 . 1 . . . . 131 LYS H . 10165 1 1588 . 1 1 131 131 LYS CA C 13 57.336 0.300 . 1 . . . . 131 LYS CA . 10165 1 1589 . 1 1 131 131 LYS HA H 1 4.132 0.030 . 1 . . . . 131 LYS HA . 10165 1 1590 . 1 1 131 131 LYS CB C 13 33.719 0.300 . 1 . . . . 131 LYS CB . 10165 1 1591 . 1 1 131 131 LYS HB2 H 1 1.869 0.030 . 2 . . . . 131 LYS HB2 . 10165 1 1592 . 1 1 131 131 LYS HB3 H 1 1.918 0.030 . 2 . . . . 131 LYS HB3 . 10165 1 1593 . 1 1 131 131 LYS CG C 13 24.984 0.300 . 1 . . . . 131 LYS CG . 10165 1 1594 . 1 1 131 131 LYS HG2 H 1 1.393 0.030 . 2 . . . . 131 LYS HG2 . 10165 1 1595 . 1 1 131 131 LYS HG3 H 1 1.451 0.030 . 2 . . . . 131 LYS HG3 . 10165 1 1596 . 1 1 131 131 LYS CD C 13 28.815 0.300 . 1 . . . . 131 LYS CD . 10165 1 1597 . 1 1 131 131 LYS HD2 H 1 1.647 0.030 . 1 . . . . 131 LYS HD2 . 10165 1 1598 . 1 1 131 131 LYS HD3 H 1 1.647 0.030 . 1 . . . . 131 LYS HD3 . 10165 1 1599 . 1 1 131 131 LYS CE C 13 42.151 0.300 . 1 . . . . 131 LYS CE . 10165 1 1600 . 1 1 131 131 LYS HE2 H 1 2.981 0.030 . 1 . . . . 131 LYS HE2 . 10165 1 1601 . 1 1 131 131 LYS HE3 H 1 2.981 0.030 . 1 . . . . 131 LYS HE3 . 10165 1 1602 . 1 1 131 131 LYS C C 13 177.813 0.300 . 1 . . . . 131 LYS C . 10165 1 1603 . 1 1 132 132 ASN N N 15 107.489 0.300 . 1 . . . . 132 ASN N . 10165 1 1604 . 1 1 132 132 ASN H H 1 8.268 0.030 . 1 . . . . 132 ASN H . 10165 1 1605 . 1 1 132 132 ASN CA C 13 54.717 0.300 . 1 . . . . 132 ASN CA . 10165 1 1606 . 1 1 132 132 ASN HA H 1 3.691 0.030 . 1 . . . . 132 ASN HA . 10165 1 1607 . 1 1 132 132 ASN CB C 13 39.462 0.300 . 1 . . . . 132 ASN CB . 10165 1 1608 . 1 1 132 132 ASN HB2 H 1 3.432 0.030 . 2 . . . . 132 ASN HB2 . 10165 1 1609 . 1 1 132 132 ASN HB3 H 1 2.593 0.030 . 2 . . . . 132 ASN HB3 . 10165 1 1610 . 1 1 132 132 ASN ND2 N 15 111.250 0.300 . 1 . . . . 132 ASN ND2 . 10165 1 1611 . 1 1 132 132 ASN HD21 H 1 6.198 0.030 . 2 . . . . 132 ASN HD21 . 10165 1 1612 . 1 1 132 132 ASN HD22 H 1 7.278 0.030 . 2 . . . . 132 ASN HD22 . 10165 1 1613 . 1 1 132 132 ASN C C 13 172.611 0.300 . 1 . . . . 132 ASN C . 10165 1 1614 . 1 1 133 133 TYR N N 15 120.541 0.300 . 1 . . . . 133 TYR N . 10165 1 1615 . 1 1 133 133 TYR H H 1 8.696 0.030 . 1 . . . . 133 TYR H . 10165 1 1616 . 1 1 133 133 TYR CA C 13 58.334 0.300 . 1 . . . . 133 TYR CA . 10165 1 1617 . 1 1 133 133 TYR HA H 1 3.879 0.030 . 1 . . . . 133 TYR HA . 10165 1 1618 . 1 1 133 133 TYR CB C 13 35.955 0.300 . 1 . . . . 133 TYR CB . 10165 1 1619 . 1 1 133 133 TYR HB2 H 1 0.462 0.030 . 2 . . . . 133 TYR HB2 . 10165 1 1620 . 1 1 133 133 TYR HB3 H 1 1.348 0.030 . 2 . . . . 133 TYR HB3 . 10165 1 1621 . 1 1 133 133 TYR CD2 C 13 133.073 0.300 . 3 . . . . 133 TYR CD2 . 10165 1 1622 . 1 1 133 133 TYR HD2 H 1 6.289 0.030 . 3 . . . . 133 TYR HD2 . 10165 1 1623 . 1 1 133 133 TYR CE1 C 13 118.612 0.300 . 3 . . . . 133 TYR CE1 . 10165 1 1624 . 1 1 133 133 TYR HE1 H 1 6.197 0.030 . 3 . . . . 133 TYR HE1 . 10165 1 1625 . 1 1 133 133 TYR CE2 C 13 115.374 0.300 . 3 . . . . 133 TYR CE2 . 10165 1 1626 . 1 1 133 133 TYR HE2 H 1 6.437 0.030 . 3 . . . . 133 TYR HE2 . 10165 1 1627 . 1 1 133 133 TYR C C 13 175.026 0.300 . 1 . . . . 133 TYR C . 10165 1 1628 . 1 1 134 134 ARG N N 15 123.205 0.300 . 1 . . . . 134 ARG N . 10165 1 1629 . 1 1 134 134 ARG H H 1 8.584 0.030 . 1 . . . . 134 ARG H . 10165 1 1630 . 1 1 134 134 ARG CA C 13 56.025 0.300 . 1 . . . . 134 ARG CA . 10165 1 1631 . 1 1 134 134 ARG HA H 1 5.043 0.030 . 1 . . . . 134 ARG HA . 10165 1 1632 . 1 1 134 134 ARG CB C 13 32.734 0.300 . 1 . . . . 134 ARG CB . 10165 1 1633 . 1 1 134 134 ARG HB2 H 1 2.079 0.030 . 1 . . . . 134 ARG HB2 . 10165 1 1634 . 1 1 134 134 ARG HB3 H 1 2.079 0.030 . 1 . . . . 134 ARG HB3 . 10165 1 1635 . 1 1 134 134 ARG CG C 13 27.510 0.300 . 1 . . . . 134 ARG CG . 10165 1 1636 . 1 1 134 134 ARG HG2 H 1 1.674 0.030 . 2 . . . . 134 ARG HG2 . 10165 1 1637 . 1 1 134 134 ARG HG3 H 1 1.806 0.030 . 2 . . . . 134 ARG HG3 . 10165 1 1638 . 1 1 134 134 ARG CD C 13 43.945 0.300 . 1 . . . . 134 ARG CD . 10165 1 1639 . 1 1 134 134 ARG HD2 H 1 3.329 0.030 . 1 . . . . 134 ARG HD2 . 10165 1 1640 . 1 1 134 134 ARG HD3 H 1 3.329 0.030 . 1 . . . . 134 ARG HD3 . 10165 1 1641 . 1 1 134 134 ARG NE N 15 84.858 0.300 . 1 . . . . 134 ARG NE . 10165 1 1642 . 1 1 134 134 ARG HE H 1 7.595 0.030 . 1 . . . . 134 ARG HE . 10165 1 1643 . 1 1 134 134 ARG C C 13 174.511 0.300 . 1 . . . . 134 ARG C . 10165 1 1644 . 1 1 135 135 ILE N N 15 124.430 0.300 . 1 . . . . 135 ILE N . 10165 1 1645 . 1 1 135 135 ILE H H 1 8.429 0.030 . 1 . . . . 135 ILE H . 10165 1 1646 . 1 1 135 135 ILE CA C 13 61.078 0.300 . 1 . . . . 135 ILE CA . 10165 1 1647 . 1 1 135 135 ILE HA H 1 4.797 0.030 . 1 . . . . 135 ILE HA . 10165 1 1648 . 1 1 135 135 ILE CB C 13 39.875 0.300 . 1 . . . . 135 ILE CB . 10165 1 1649 . 1 1 135 135 ILE HB H 1 1.805 0.030 . 1 . . . . 135 ILE HB . 10165 1 1650 . 1 1 135 135 ILE CG1 C 13 27.999 0.300 . 1 . . . . 135 ILE CG1 . 10165 1 1651 . 1 1 135 135 ILE HG12 H 1 1.158 0.030 . 2 . . . . 135 ILE HG12 . 10165 1 1652 . 1 1 135 135 ILE HG13 H 1 1.763 0.030 . 2 . . . . 135 ILE HG13 . 10165 1 1653 . 1 1 135 135 ILE CG2 C 13 19.298 0.300 . 1 . . . . 135 ILE CG2 . 10165 1 1654 . 1 1 135 135 ILE HG21 H 1 0.820 0.030 . 1 . . . . 135 ILE HG2 . 10165 1 1655 . 1 1 135 135 ILE HG22 H 1 0.820 0.030 . 1 . . . . 135 ILE HG2 . 10165 1 1656 . 1 1 135 135 ILE HG23 H 1 0.820 0.030 . 1 . . . . 135 ILE HG2 . 10165 1 1657 . 1 1 135 135 ILE CD1 C 13 15.094 0.300 . 1 . . . . 135 ILE CD1 . 10165 1 1658 . 1 1 135 135 ILE HD11 H 1 0.942 0.030 . 1 . . . . 135 ILE HD1 . 10165 1 1659 . 1 1 135 135 ILE HD12 H 1 0.942 0.030 . 1 . . . . 135 ILE HD1 . 10165 1 1660 . 1 1 135 135 ILE HD13 H 1 0.942 0.030 . 1 . . . . 135 ILE HD1 . 10165 1 1661 . 1 1 135 135 ILE C C 13 175.279 0.300 . 1 . . . . 135 ILE C . 10165 1 1662 . 1 1 136 136 ILE N N 15 120.496 0.300 . 1 . . . . 136 ILE N . 10165 1 1663 . 1 1 136 136 ILE H H 1 9.000 0.030 . 1 . . . . 136 ILE H . 10165 1 1664 . 1 1 136 136 ILE CA C 13 59.359 0.300 . 1 . . . . 136 ILE CA . 10165 1 1665 . 1 1 136 136 ILE HA H 1 5.028 0.030 . 1 . . . . 136 ILE HA . 10165 1 1666 . 1 1 136 136 ILE CB C 13 42.170 0.300 . 1 . . . . 136 ILE CB . 10165 1 1667 . 1 1 136 136 ILE HB H 1 2.040 0.030 . 1 . . . . 136 ILE HB . 10165 1 1668 . 1 1 136 136 ILE CG1 C 13 26.819 0.300 . 1 . . . . 136 ILE CG1 . 10165 1 1669 . 1 1 136 136 ILE HG12 H 1 0.982 0.030 . 2 . . . . 136 ILE HG12 . 10165 1 1670 . 1 1 136 136 ILE HG13 H 1 1.406 0.030 . 2 . . . . 136 ILE HG13 . 10165 1 1671 . 1 1 136 136 ILE CG2 C 13 17.729 0.300 . 1 . . . . 136 ILE CG2 . 10165 1 1672 . 1 1 136 136 ILE HG21 H 1 0.964 0.030 . 1 . . . . 136 ILE HG2 . 10165 1 1673 . 1 1 136 136 ILE HG22 H 1 0.964 0.030 . 1 . . . . 136 ILE HG2 . 10165 1 1674 . 1 1 136 136 ILE HG23 H 1 0.964 0.030 . 1 . . . . 136 ILE HG2 . 10165 1 1675 . 1 1 136 136 ILE CD1 C 13 13.457 0.300 . 1 . . . . 136 ILE CD1 . 10165 1 1676 . 1 1 136 136 ILE HD11 H 1 0.799 0.030 . 1 . . . . 136 ILE HD1 . 10165 1 1677 . 1 1 136 136 ILE HD12 H 1 0.799 0.030 . 1 . . . . 136 ILE HD1 . 10165 1 1678 . 1 1 136 136 ILE HD13 H 1 0.799 0.030 . 1 . . . . 136 ILE HD1 . 10165 1 1679 . 1 1 136 136 ILE C C 13 175.144 0.300 . 1 . . . . 136 ILE C . 10165 1 1680 . 1 1 137 137 ARG N N 15 122.183 0.300 . 1 . . . . 137 ARG N . 10165 1 1681 . 1 1 137 137 ARG H H 1 8.535 0.030 . 1 . . . . 137 ARG H . 10165 1 1682 . 1 1 137 137 ARG CA C 13 56.339 0.300 . 1 . . . . 137 ARG CA . 10165 1 1683 . 1 1 137 137 ARG HA H 1 4.402 0.030 . 1 . . . . 137 ARG HA . 10165 1 1684 . 1 1 137 137 ARG CB C 13 30.696 0.300 . 1 . . . . 137 ARG CB . 10165 1 1685 . 1 1 137 137 ARG HB2 H 1 1.827 0.030 . 2 . . . . 137 ARG HB2 . 10165 1 1686 . 1 1 137 137 ARG HB3 H 1 1.652 0.030 . 2 . . . . 137 ARG HB3 . 10165 1 1687 . 1 1 137 137 ARG CG C 13 28.175 0.300 . 1 . . . . 137 ARG CG . 10165 1 1688 . 1 1 137 137 ARG HG2 H 1 1.441 0.030 . 2 . . . . 137 ARG HG2 . 10165 1 1689 . 1 1 137 137 ARG HG3 H 1 1.597 0.030 . 2 . . . . 137 ARG HG3 . 10165 1 1690 . 1 1 137 137 ARG CD C 13 43.333 0.300 . 1 . . . . 137 ARG CD . 10165 1 1691 . 1 1 137 137 ARG HD2 H 1 3.075 0.030 . 1 . . . . 137 ARG HD2 . 10165 1 1692 . 1 1 137 137 ARG HD3 H 1 3.075 0.030 . 1 . . . . 137 ARG HD3 . 10165 1 1693 . 1 1 137 137 ARG NE N 15 84.981 0.300 . 1 . . . . 137 ARG NE . 10165 1 1694 . 1 1 137 137 ARG HE H 1 7.461 0.030 . 1 . . . . 137 ARG HE . 10165 1 1695 . 1 1 137 137 ARG C C 13 176.646 0.300 . 1 . . . . 137 ARG C . 10165 1 1696 . 1 1 138 138 ALA N N 15 126.694 0.300 . 1 . . . . 138 ALA N . 10165 1 1697 . 1 1 138 138 ALA H H 1 8.353 0.030 . 1 . . . . 138 ALA H . 10165 1 1698 . 1 1 138 138 ALA CA C 13 52.808 0.300 . 1 . . . . 138 ALA CA . 10165 1 1699 . 1 1 138 138 ALA HA H 1 4.134 0.030 . 1 . . . . 138 ALA HA . 10165 1 1700 . 1 1 138 138 ALA CB C 13 19.536 0.300 . 1 . . . . 138 ALA CB . 10165 1 1701 . 1 1 138 138 ALA HB1 H 1 1.212 0.030 . 1 . . . . 138 ALA HB . 10165 1 1702 . 1 1 138 138 ALA HB2 H 1 1.212 0.030 . 1 . . . . 138 ALA HB . 10165 1 1703 . 1 1 138 138 ALA HB3 H 1 1.212 0.030 . 1 . . . . 138 ALA HB . 10165 1 1704 . 1 1 138 138 ALA C C 13 177.637 0.300 . 1 . . . . 138 ALA C . 10165 1 1705 . 1 1 139 139 GLU N N 15 119.890 0.300 . 1 . . . . 139 GLU N . 10165 1 1706 . 1 1 139 139 GLU H H 1 8.615 0.030 . 1 . . . . 139 GLU H . 10165 1 1707 . 1 1 139 139 GLU CA C 13 56.586 0.300 . 1 . . . . 139 GLU CA . 10165 1 1708 . 1 1 139 139 GLU HA H 1 4.268 0.030 . 1 . . . . 139 GLU HA . 10165 1 1709 . 1 1 139 139 GLU CB C 13 30.137 0.300 . 1 . . . . 139 GLU CB . 10165 1 1710 . 1 1 139 139 GLU HB2 H 1 1.927 0.030 . 2 . . . . 139 GLU HB2 . 10165 1 1711 . 1 1 139 139 GLU HB3 H 1 1.996 0.030 . 2 . . . . 139 GLU HB3 . 10165 1 1712 . 1 1 139 139 GLU CG C 13 36.113 0.300 . 1 . . . . 139 GLU CG . 10165 1 1713 . 1 1 139 139 GLU HG2 H 1 2.192 0.030 . 2 . . . . 139 GLU HG2 . 10165 1 1714 . 1 1 139 139 GLU HG3 H 1 2.264 0.030 . 2 . . . . 139 GLU HG3 . 10165 1 1715 . 1 1 139 139 GLU C C 13 176.488 0.300 . 1 . . . . 139 GLU C . 10165 1 1716 . 1 1 140 140 LEU N N 15 123.350 0.300 . 1 . . . . 140 LEU N . 10165 1 1717 . 1 1 140 140 LEU H H 1 8.224 0.030 . 1 . . . . 140 LEU H . 10165 1 1718 . 1 1 140 140 LEU CA C 13 55.185 0.300 . 1 . . . . 140 LEU CA . 10165 1 1719 . 1 1 140 140 LEU HA H 1 4.339 0.030 . 1 . . . . 140 LEU HA . 10165 1 1720 . 1 1 140 140 LEU CB C 13 42.294 0.300 . 1 . . . . 140 LEU CB . 10165 1 1721 . 1 1 140 140 LEU HB2 H 1 1.671 0.030 . 2 . . . . 140 LEU HB2 . 10165 1 1722 . 1 1 140 140 LEU HB3 H 1 1.595 0.030 . 2 . . . . 140 LEU HB3 . 10165 1 1723 . 1 1 140 140 LEU CG C 13 27.128 0.300 . 1 . . . . 140 LEU CG . 10165 1 1724 . 1 1 140 140 LEU HG H 1 1.578 0.030 . 1 . . . . 140 LEU HG . 10165 1 1725 . 1 1 140 140 LEU CD1 C 13 25.072 0.300 . 2 . . . . 140 LEU CD1 . 10165 1 1726 . 1 1 140 140 LEU HD11 H 1 0.936 0.030 . 1 . . . . 140 LEU HD1 . 10165 1 1727 . 1 1 140 140 LEU HD12 H 1 0.936 0.030 . 1 . . . . 140 LEU HD1 . 10165 1 1728 . 1 1 140 140 LEU HD13 H 1 0.936 0.030 . 1 . . . . 140 LEU HD1 . 10165 1 1729 . 1 1 140 140 LEU CD2 C 13 23.501 0.300 . 2 . . . . 140 LEU CD2 . 10165 1 1730 . 1 1 140 140 LEU HD21 H 1 0.858 0.030 . 1 . . . . 140 LEU HD2 . 10165 1 1731 . 1 1 140 140 LEU HD22 H 1 0.858 0.030 . 1 . . . . 140 LEU HD2 . 10165 1 1732 . 1 1 140 140 LEU HD23 H 1 0.858 0.030 . 1 . . . . 140 LEU HD2 . 10165 1 1733 . 1 1 140 140 LEU C C 13 177.456 0.300 . 1 . . . . 140 LEU C . 10165 1 1734 . 1 1 141 141 LYS N N 15 122.155 0.300 . 1 . . . . 141 LYS N . 10165 1 1735 . 1 1 141 141 LYS H H 1 8.239 0.030 . 1 . . . . 141 LYS H . 10165 1 1736 . 1 1 141 141 LYS CA C 13 56.480 0.300 . 1 . . . . 141 LYS CA . 10165 1 1737 . 1 1 141 141 LYS HA H 1 4.309 0.030 . 1 . . . . 141 LYS HA . 10165 1 1738 . 1 1 141 141 LYS CB C 13 32.976 0.300 . 1 . . . . 141 LYS CB . 10165 1 1739 . 1 1 141 141 LYS HB2 H 1 1.744 0.030 . 2 . . . . 141 LYS HB2 . 10165 1 1740 . 1 1 141 141 LYS HB3 H 1 1.861 0.030 . 2 . . . . 141 LYS HB3 . 10165 1 1741 . 1 1 141 141 LYS CG C 13 24.820 0.300 . 1 . . . . 141 LYS CG . 10165 1 1742 . 1 1 141 141 LYS HG2 H 1 1.442 0.030 . 1 . . . . 141 LYS HG2 . 10165 1 1743 . 1 1 141 141 LYS HG3 H 1 1.442 0.030 . 1 . . . . 141 LYS HG3 . 10165 1 1744 . 1 1 141 141 LYS CD C 13 29.080 0.300 . 1 . . . . 141 LYS CD . 10165 1 1745 . 1 1 141 141 LYS HD2 H 1 1.666 0.030 . 1 . . . . 141 LYS HD2 . 10165 1 1746 . 1 1 141 141 LYS HD3 H 1 1.666 0.030 . 1 . . . . 141 LYS HD3 . 10165 1 1747 . 1 1 141 141 LYS CE C 13 42.178 0.300 . 1 . . . . 141 LYS CE . 10165 1 1748 . 1 1 141 141 LYS HE2 H 1 2.968 0.030 . 1 . . . . 141 LYS HE2 . 10165 1 1749 . 1 1 141 141 LYS HE3 H 1 2.968 0.030 . 1 . . . . 141 LYS HE3 . 10165 1 1750 . 1 1 141 141 LYS C C 13 176.734 0.300 . 1 . . . . 141 LYS C . 10165 1 1751 . 1 1 142 142 SER N N 15 116.816 0.300 . 1 . . . . 142 SER N . 10165 1 1752 . 1 1 142 142 SER H H 1 8.369 0.030 . 1 . . . . 142 SER H . 10165 1 1753 . 1 1 142 142 SER CA C 13 58.425 0.300 . 1 . . . . 142 SER CA . 10165 1 1754 . 1 1 142 142 SER HA H 1 4.529 0.030 . 1 . . . . 142 SER HA . 10165 1 1755 . 1 1 142 142 SER CB C 13 63.836 0.300 . 1 . . . . 142 SER CB . 10165 1 1756 . 1 1 142 142 SER HB2 H 1 3.932 0.030 . 1 . . . . 142 SER HB2 . 10165 1 1757 . 1 1 142 142 SER HB3 H 1 3.932 0.030 . 1 . . . . 142 SER HB3 . 10165 1 1758 . 1 1 142 142 SER C C 13 175.185 0.300 . 1 . . . . 142 SER C . 10165 1 1759 . 1 1 143 143 THR N N 15 115.566 0.300 . 1 . . . . 143 THR N . 10165 1 1760 . 1 1 143 143 THR H H 1 8.235 0.030 . 1 . . . . 143 THR H . 10165 1 1761 . 1 1 143 143 THR CA C 13 61.999 0.300 . 1 . . . . 143 THR CA . 10165 1 1762 . 1 1 143 143 THR HA H 1 4.389 0.030 . 1 . . . . 143 THR HA . 10165 1 1763 . 1 1 143 143 THR CB C 13 69.634 0.300 . 1 . . . . 143 THR CB . 10165 1 1764 . 1 1 143 143 THR HB H 1 4.316 0.030 . 1 . . . . 143 THR HB . 10165 1 1765 . 1 1 143 143 THR CG2 C 13 21.757 0.300 . 1 . . . . 143 THR CG2 . 10165 1 1766 . 1 1 143 143 THR HG21 H 1 1.212 0.030 . 1 . . . . 143 THR HG2 . 10165 1 1767 . 1 1 143 143 THR HG22 H 1 1.212 0.030 . 1 . . . . 143 THR HG2 . 10165 1 1768 . 1 1 143 143 THR HG23 H 1 1.212 0.030 . 1 . . . . 143 THR HG2 . 10165 1 1769 . 1 1 143 143 THR C C 13 174.937 0.300 . 1 . . . . 143 THR C . 10165 1 1770 . 1 1 144 144 GLN N N 15 122.469 0.300 . 1 . . . . 144 GLN N . 10165 1 1771 . 1 1 144 144 GLN H H 1 8.345 0.030 . 1 . . . . 144 GLN H . 10165 1 1772 . 1 1 144 144 GLN CA C 13 56.480 0.300 . 1 . . . . 144 GLN CA . 10165 1 1773 . 1 1 144 144 GLN HA H 1 4.307 0.030 . 1 . . . . 144 GLN HA . 10165 1 1774 . 1 1 144 144 GLN CB C 13 29.307 0.300 . 1 . . . . 144 GLN CB . 10165 1 1775 . 1 1 144 144 GLN HB2 H 1 2.127 0.030 . 2 . . . . 144 GLN HB2 . 10165 1 1776 . 1 1 144 144 GLN HB3 H 1 2.016 0.030 . 2 . . . . 144 GLN HB3 . 10165 1 1777 . 1 1 144 144 GLN CG C 13 33.805 0.300 . 1 . . . . 144 GLN CG . 10165 1 1778 . 1 1 144 144 GLN HG2 H 1 2.389 0.030 . 1 . . . . 144 GLN HG2 . 10165 1 1779 . 1 1 144 144 GLN HG3 H 1 2.389 0.030 . 1 . . . . 144 GLN HG3 . 10165 1 1780 . 1 1 144 144 GLN NE2 N 15 112.356 0.300 . 1 . . . . 144 GLN NE2 . 10165 1 1781 . 1 1 144 144 GLN HE21 H 1 7.603 0.030 . 2 . . . . 144 GLN HE21 . 10165 1 1782 . 1 1 144 144 GLN HE22 H 1 6.895 0.030 . 2 . . . . 144 GLN HE22 . 10165 1 1783 . 1 1 144 144 GLN C C 13 176.536 0.300 . 1 . . . . 144 GLN C . 10165 1 1784 . 1 1 145 145 GLY N N 15 110.021 0.300 . 1 . . . . 145 GLY N . 10165 1 1785 . 1 1 145 145 GLY H H 1 8.461 0.030 . 1 . . . . 145 GLY H . 10165 1 1786 . 1 1 145 145 GLY CA C 13 45.355 0.300 . 1 . . . . 145 GLY CA . 10165 1 1787 . 1 1 145 145 GLY HA2 H 1 3.967 0.030 . 1 . . . . 145 GLY HA2 . 10165 1 1788 . 1 1 145 145 GLY HA3 H 1 3.967 0.030 . 1 . . . . 145 GLY HA3 . 10165 1 1789 . 1 1 145 145 GLY C C 13 174.123 0.300 . 1 . . . . 145 GLY C . 10165 1 1790 . 1 1 146 146 MET N N 15 119.836 0.300 . 1 . . . . 146 MET N . 10165 1 1791 . 1 1 146 146 MET H H 1 8.197 0.030 . 1 . . . . 146 MET H . 10165 1 1792 . 1 1 146 146 MET CA C 13 55.594 0.300 . 1 . . . . 146 MET CA . 10165 1 1793 . 1 1 146 146 MET HA H 1 4.538 0.030 . 1 . . . . 146 MET HA . 10165 1 1794 . 1 1 146 146 MET CB C 13 33.090 0.300 . 1 . . . . 146 MET CB . 10165 1 1795 . 1 1 146 146 MET HB2 H 1 2.025 0.030 . 2 . . . . 146 MET HB2 . 10165 1 1796 . 1 1 146 146 MET HB3 H 1 2.110 0.030 . 2 . . . . 146 MET HB3 . 10165 1 1797 . 1 1 146 146 MET CG C 13 32.029 0.300 . 1 . . . . 146 MET CG . 10165 1 1798 . 1 1 146 146 MET HG2 H 1 2.524 0.030 . 2 . . . . 146 MET HG2 . 10165 1 1799 . 1 1 146 146 MET HG3 H 1 2.595 0.030 . 2 . . . . 146 MET HG3 . 10165 1 1800 . 1 1 146 146 MET CE C 13 16.998 0.300 . 1 . . . . 146 MET CE . 10165 1 1801 . 1 1 146 146 MET HE1 H 1 2.101 0.030 . 1 . . . . 146 MET HE . 10165 1 1802 . 1 1 146 146 MET HE2 H 1 2.101 0.030 . 1 . . . . 146 MET HE . 10165 1 1803 . 1 1 146 146 MET HE3 H 1 2.101 0.030 . 1 . . . . 146 MET HE . 10165 1 1804 . 1 1 146 146 MET C C 13 176.454 0.300 . 1 . . . . 146 MET C . 10165 1 1805 . 1 1 147 147 THR N N 15 116.248 0.300 . 1 . . . . 147 THR N . 10165 1 1806 . 1 1 147 147 THR H H 1 8.239 0.030 . 1 . . . . 147 THR H . 10165 1 1807 . 1 1 147 147 THR CA C 13 61.959 0.300 . 1 . . . . 147 THR CA . 10165 1 1808 . 1 1 147 147 THR HA H 1 4.318 0.030 . 1 . . . . 147 THR HA . 10165 1 1809 . 1 1 147 147 THR CB C 13 69.875 0.300 . 1 . . . . 147 THR CB . 10165 1 1810 . 1 1 147 147 THR HB H 1 4.154 0.030 . 1 . . . . 147 THR HB . 10165 1 1811 . 1 1 147 147 THR CG2 C 13 21.703 0.300 . 1 . . . . 147 THR CG2 . 10165 1 1812 . 1 1 147 147 THR HG21 H 1 1.215 0.030 . 1 . . . . 147 THR HG2 . 10165 1 1813 . 1 1 147 147 THR HG22 H 1 1.215 0.030 . 1 . . . . 147 THR HG2 . 10165 1 1814 . 1 1 147 147 THR HG23 H 1 1.215 0.030 . 1 . . . . 147 THR HG2 . 10165 1 1815 . 1 1 147 147 THR C C 13 174.141 0.300 . 1 . . . . 147 THR C . 10165 1 1816 . 1 1 148 148 LYS N N 15 125.399 0.300 . 1 . . . . 148 LYS N . 10165 1 1817 . 1 1 148 148 LYS H H 1 8.387 0.030 . 1 . . . . 148 LYS H . 10165 1 1818 . 1 1 148 148 LYS CA C 13 54.186 0.300 . 1 . . . . 148 LYS CA . 10165 1 1819 . 1 1 148 148 LYS HA H 1 4.617 0.030 . 1 . . . . 148 LYS HA . 10165 1 1820 . 1 1 148 148 LYS CB C 13 32.651 0.300 . 1 . . . . 148 LYS CB . 10165 1 1821 . 1 1 148 148 LYS HB2 H 1 1.719 0.030 . 2 . . . . 148 LYS HB2 . 10165 1 1822 . 1 1 148 148 LYS HB3 H 1 1.814 0.030 . 2 . . . . 148 LYS HB3 . 10165 1 1823 . 1 1 148 148 LYS CG C 13 24.549 0.300 . 1 . . . . 148 LYS CG . 10165 1 1824 . 1 1 148 148 LYS HG2 H 1 1.453 0.030 . 1 . . . . 148 LYS HG2 . 10165 1 1825 . 1 1 148 148 LYS HG3 H 1 1.453 0.030 . 1 . . . . 148 LYS HG3 . 10165 1 1826 . 1 1 148 148 LYS CD C 13 29.294 0.300 . 1 . . . . 148 LYS CD . 10165 1 1827 . 1 1 148 148 LYS HD2 H 1 1.652 0.030 . 1 . . . . 148 LYS HD2 . 10165 1 1828 . 1 1 148 148 LYS HD3 H 1 1.652 0.030 . 1 . . . . 148 LYS HD3 . 10165 1 1829 . 1 1 148 148 LYS CE C 13 42.134 0.300 . 1 . . . . 148 LYS CE . 10165 1 1830 . 1 1 148 148 LYS HE2 H 1 3.009 0.030 . 1 . . . . 148 LYS HE2 . 10165 1 1831 . 1 1 148 148 LYS HE3 H 1 3.009 0.030 . 1 . . . . 148 LYS HE3 . 10165 1 1832 . 1 1 148 148 LYS C C 13 174.388 0.300 . 1 . . . . 148 LYS C . 10165 1 1833 . 1 1 149 149 PRO CA C 13 63.178 0.300 . 1 . . . . 149 PRO CA . 10165 1 1834 . 1 1 149 149 PRO HA H 1 4.406 0.030 . 1 . . . . 149 PRO HA . 10165 1 1835 . 1 1 149 149 PRO CB C 13 32.164 0.300 . 1 . . . . 149 PRO CB . 10165 1 1836 . 1 1 149 149 PRO HB2 H 1 2.260 0.030 . 2 . . . . 149 PRO HB2 . 10165 1 1837 . 1 1 149 149 PRO HB3 H 1 1.847 0.030 . 2 . . . . 149 PRO HB3 . 10165 1 1838 . 1 1 149 149 PRO CG C 13 27.370 0.300 . 1 . . . . 149 PRO CG . 10165 1 1839 . 1 1 149 149 PRO HG2 H 1 1.994 0.030 . 1 . . . . 149 PRO HG2 . 10165 1 1840 . 1 1 149 149 PRO HG3 H 1 1.994 0.030 . 1 . . . . 149 PRO HG3 . 10165 1 1841 . 1 1 149 149 PRO CD C 13 50.696 0.300 . 1 . . . . 149 PRO CD . 10165 1 1842 . 1 1 149 149 PRO HD2 H 1 3.819 0.030 . 2 . . . . 149 PRO HD2 . 10165 1 1843 . 1 1 149 149 PRO HD3 H 1 3.635 0.030 . 2 . . . . 149 PRO HD3 . 10165 1 1844 . 1 1 150 150 HIS CA C 13 56.264 0.300 . 1 . . . . 150 HIS CA . 10165 1 1845 . 1 1 150 150 HIS HA H 1 4.626 0.030 . 1 . . . . 150 HIS HA . 10165 1 1846 . 1 1 150 150 HIS CB C 13 30.574 0.300 . 1 . . . . 150 HIS CB . 10165 1 1847 . 1 1 150 150 HIS HB2 H 1 3.146 0.030 . 2 . . . . 150 HIS HB2 . 10165 1 1848 . 1 1 150 150 HIS CD2 C 13 120.043 0.300 . 1 . . . . 150 HIS CD2 . 10165 1 1849 . 1 1 150 150 HIS HD2 H 1 7.081 0.030 . 1 . . . . 150 HIS HD2 . 10165 1 1850 . 1 1 150 150 HIS CE1 C 13 138.131 0.300 . 1 . . . . 150 HIS CE1 . 10165 1 1851 . 1 1 150 150 HIS HE1 H 1 7.976 0.030 . 1 . . . . 150 HIS HE1 . 10165 1 1852 . 1 1 151 151 SER CA C 13 58.018 0.300 . 1 . . . . 151 SER CA . 10165 1 1853 . 1 1 151 151 SER HA H 1 4.475 0.030 . 1 . . . . 151 SER HA . 10165 1 1854 . 1 1 151 151 SER CB C 13 64.139 0.300 . 1 . . . . 151 SER CB . 10165 1 1855 . 1 1 151 151 SER HB2 H 1 3.840 0.030 . 2 . . . . 151 SER HB2 . 10165 1 1856 . 1 1 151 151 SER C C 13 174.253 0.300 . 1 . . . . 151 SER C . 10165 1 1857 . 1 1 152 152 GLY N N 15 110.964 0.300 . 1 . . . . 152 GLY N . 10165 1 1858 . 1 1 152 152 GLY H H 1 8.276 0.030 . 1 . . . . 152 GLY H . 10165 1 1859 . 1 1 152 152 GLY CA C 13 44.637 0.300 . 1 . . . . 152 GLY CA . 10165 1 1860 . 1 1 152 152 GLY HA2 H 1 4.120 0.030 . 1 . . . . 152 GLY HA2 . 10165 1 1861 . 1 1 152 152 GLY HA3 H 1 4.120 0.030 . 1 . . . . 152 GLY HA3 . 10165 1 1862 . 1 1 152 152 GLY C C 13 171.668 0.300 . 1 . . . . 152 GLY C . 10165 1 1863 . 1 1 153 153 PRO CA C 13 63.147 0.300 . 1 . . . . 153 PRO CA . 10165 1 1864 . 1 1 153 153 PRO HA H 1 4.425 0.030 . 1 . . . . 153 PRO HA . 10165 1 1865 . 1 1 153 153 PRO CB C 13 32.149 0.300 . 1 . . . . 153 PRO CB . 10165 1 1866 . 1 1 153 153 PRO HB2 H 1 2.257 0.030 . 2 . . . . 153 PRO HB2 . 10165 1 1867 . 1 1 153 153 PRO HB3 H 1 1.910 0.030 . 2 . . . . 153 PRO HB3 . 10165 1 1868 . 1 1 153 153 PRO CG C 13 27.071 0.300 . 1 . . . . 153 PRO CG . 10165 1 1869 . 1 1 153 153 PRO HG2 H 1 1.993 0.030 . 1 . . . . 153 PRO HG2 . 10165 1 1870 . 1 1 153 153 PRO HG3 H 1 1.993 0.030 . 1 . . . . 153 PRO HG3 . 10165 1 1871 . 1 1 153 153 PRO CD C 13 49.742 0.300 . 1 . . . . 153 PRO CD . 10165 1 1872 . 1 1 153 153 PRO HD2 H 1 3.597 0.030 . 2 . . . . 153 PRO HD2 . 10165 1 1873 . 1 1 153 153 PRO HD3 H 1 3.654 0.030 . 2 . . . . 153 PRO HD3 . 10165 1 1874 . 1 1 153 153 PRO C C 13 176.656 0.300 . 1 . . . . 153 PRO C . 10165 1 1875 . 1 1 154 154 ASP N N 15 120.420 0.300 . 1 . . . . 154 ASP N . 10165 1 1876 . 1 1 154 154 ASP H H 1 8.463 0.030 . 1 . . . . 154 ASP H . 10165 1 1877 . 1 1 154 154 ASP CA C 13 54.429 0.300 . 1 . . . . 154 ASP CA . 10165 1 1878 . 1 1 154 154 ASP HA H 1 4.575 0.030 . 1 . . . . 154 ASP HA . 10165 1 1879 . 1 1 154 154 ASP CB C 13 40.979 0.300 . 1 . . . . 154 ASP CB . 10165 1 1880 . 1 1 154 154 ASP HB2 H 1 2.732 0.030 . 2 . . . . 154 ASP HB2 . 10165 1 1881 . 1 1 154 154 ASP HB3 H 1 2.579 0.030 . 2 . . . . 154 ASP HB3 . 10165 1 1882 . 1 1 154 154 ASP C C 13 176.163 0.300 . 1 . . . . 154 ASP C . 10165 1 1883 . 1 1 155 155 LEU N N 15 123.563 0.300 . 1 . . . . 155 LEU N . 10165 1 1884 . 1 1 155 155 LEU H H 1 8.266 0.030 . 1 . . . . 155 LEU H . 10165 1 1885 . 1 1 155 155 LEU CA C 13 55.022 0.300 . 1 . . . . 155 LEU CA . 10165 1 1886 . 1 1 155 155 LEU HA H 1 4.358 0.030 . 1 . . . . 155 LEU HA . 10165 1 1887 . 1 1 155 155 LEU CB C 13 42.157 0.300 . 1 . . . . 155 LEU CB . 10165 1 1888 . 1 1 155 155 LEU HB2 H 1 1.667 0.030 . 2 . . . . 155 LEU HB2 . 10165 1 1889 . 1 1 155 155 LEU HB3 H 1 1.597 0.030 . 2 . . . . 155 LEU HB3 . 10165 1 1890 . 1 1 155 155 LEU CG C 13 27.185 0.300 . 1 . . . . 155 LEU CG . 10165 1 1891 . 1 1 155 155 LEU HG H 1 1.576 0.030 . 1 . . . . 155 LEU HG . 10165 1 1892 . 1 1 155 155 LEU CD1 C 13 25.187 0.300 . 2 . . . . 155 LEU CD1 . 10165 1 1893 . 1 1 155 155 LEU HD11 H 1 0.902 0.030 . 1 . . . . 155 LEU HD1 . 10165 1 1894 . 1 1 155 155 LEU HD12 H 1 0.902 0.030 . 1 . . . . 155 LEU HD1 . 10165 1 1895 . 1 1 155 155 LEU HD13 H 1 0.902 0.030 . 1 . . . . 155 LEU HD1 . 10165 1 1896 . 1 1 155 155 LEU CD2 C 13 23.066 0.300 . 2 . . . . 155 LEU CD2 . 10165 1 1897 . 1 1 155 155 LEU HD21 H 1 0.831 0.030 . 1 . . . . 155 LEU HD2 . 10165 1 1898 . 1 1 155 155 LEU HD22 H 1 0.831 0.030 . 1 . . . . 155 LEU HD2 . 10165 1 1899 . 1 1 155 155 LEU HD23 H 1 0.831 0.030 . 1 . . . . 155 LEU HD2 . 10165 1 1900 . 1 1 155 155 LEU C C 13 176.990 0.300 . 1 . . . . 155 LEU C . 10165 1 1901 . 1 1 156 156 GLY N N 15 115.518 0.300 . 1 . . . . 156 GLY N . 10165 1 1902 . 1 1 156 156 GLY H H 1 8.034 0.030 . 1 . . . . 156 GLY H . 10165 1 1903 . 1 1 156 156 GLY CA C 13 46.176 0.300 . 1 . . . . 156 GLY CA . 10165 1 1904 . 1 1 156 156 GLY HA2 H 1 3.703 0.030 . 2 . . . . 156 GLY HA2 . 10165 1 1905 . 1 1 156 156 GLY HA3 H 1 3.761 0.030 . 2 . . . . 156 GLY HA3 . 10165 1 1906 . 1 1 156 156 GLY C C 13 179.148 0.300 . 1 . . . . 156 GLY C . 10165 1 stop_ save_