data_16672 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16672 _Entry.Title ; NMR structures of TM domain of the n-Acetylcholine receptor b2 subunit ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-01-12 _Entry.Accession_date 2010-01-12 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'NMR, 20 STRUCTURES' _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 Vasyl Bondarenko . . . 16672 2 Tommy Tillman . . . 16672 3 Yan Xu . . . 16672 4 Pei Tang . . . 16672 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 'not applicable' 'not applicable' . 16672 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID HFIP . 16672 'nicotinic acetylcholine receptors' . 16672 NMR . 16672 'transmembrane domain' . 16672 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16672 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 458 16672 '15N chemical shifts' 134 16672 '1H chemical shifts' 966 16672 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2010-08-12 2010-01-12 update BMRB 'Complete entry citation' 16672 1 . . 2010-05-18 2010-01-12 original author 'original release' 16672 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2KSR 'BMRB Entry Tracking System' 16672 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 16672 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 20441771 _Citation.Full_citation . _Citation.Title 'NMR structure of the transmembrane domain of the n-acetylcholine receptor beta2 subunit.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biochim. Biophys. Acta' _Citation.Journal_name_full 'Biochimica et biophysica acta' _Citation.Journal_volume 1798 _Citation.Journal_issue 8 _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 1608 _Citation.Page_last 1614 _Citation.Year 2010 _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 Vasyl Bondarenko . . . 16672 1 2 Tommy Tillman . . . 16672 1 3 Yan Xu . . . 16672 1 4 Pei Tang . . . 16672 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16672 _Assembly.ID 1 _Assembly.Name 'transmembrane domain of the n-acetylcholine receptor beta2 subunit' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 entity 1 $entity A . yes native no no . . . 16672 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 16672 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'transmembrane domain of the n-acetylcholine receptor beta2 subunit' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MHHHHHHSTSVDLGTENLYF QSNARRKPLFYTINLIIPCV LITSLAILVFYLPSDCGEKM TLCISVLLALTVFLLLISKI VPPTSLDVPLVGKYLMFTMV LVTFSIVTSVCVLNVHHRSP TTHTPRGGGGYVAMVIDRLF LWIFVFVCVFGTIGMFLQPL FQNY ; _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 164 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 18456.0 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2KSR . "Nmr Structures Of Tm Domain Of The N-Acetylcholine Receptor B2 Subunit" . . . . . 99.39 164 100.00 100.00 8.98e-112 . . . . 16672 1 2 no EMBL CAB53256 . "nicotinic acetylcholine receptor subunit beta4 [Macaca mulatta]" . . . . . 57.93 192 97.89 100.00 4.49e-54 . . . . 16672 1 3 no GB AAM34453 . "nicotinic acetylcholine receptor beta 2 subunit [Bos taurus]" . . . . . 60.98 251 100.00 100.00 4.42e-58 . . . . 16672 1 4 no GB ELK02820 . "Neuronal acetylcholine receptor subunit beta-2 [Pteropus alecto]" . . . . . 60.98 454 99.00 100.00 9.06e-57 . . . . 16672 1 5 no GB ELK27604 . "Neuronal acetylcholine receptor subunit beta-4 [Myotis davidii]" . . . . . 60.98 300 97.00 100.00 8.63e-57 . . . . 16672 1 6 no GB KFQ65111 . "hypothetical protein N334_02710, partial [Pelecanus crispus]" . . . . . 60.98 403 97.00 100.00 3.19e-56 . . . . 16672 1 7 no REF XP_005628186 . "PREDICTED: neuronal acetylcholine receptor subunit beta-4 isoform X1 [Canis lupus familiaris]" . . . . . 60.98 515 97.00 100.00 5.01e-55 . . . . 16672 1 8 no REF XP_005628187 . "PREDICTED: neuronal acetylcholine receptor subunit beta-4 isoform X2 [Canis lupus familiaris]" . . . . . 60.98 508 97.00 100.00 3.87e-55 . . . . 16672 1 9 no REF XP_006767267 . "PREDICTED: neuronal acetylcholine receptor subunit beta-4 [Myotis davidii]" . . . . . 60.98 313 97.00 100.00 2.02e-56 . . . . 16672 1 10 no REF XP_007662125 . "PREDICTED: neuronal acetylcholine receptor subunit beta-2-like, partial [Ornithorhynchus anatinus]" . . . . . 60.98 265 97.00 98.00 2.39e-56 . . . . 16672 1 11 no REF XP_007885008 . "PREDICTED: neuronal acetylcholine receptor subunit beta-2-like, partial [Callorhinchus milii]" . . . . . 60.98 473 97.00 100.00 1.07e-55 . . . . 16672 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 . MET . 16672 1 2 . HIS . 16672 1 3 . HIS . 16672 1 4 . HIS . 16672 1 5 . HIS . 16672 1 6 . HIS . 16672 1 7 . HIS . 16672 1 8 . SER . 16672 1 9 . THR . 16672 1 10 . SER . 16672 1 11 . VAL . 16672 1 12 . ASP . 16672 1 13 . LEU . 16672 1 14 . GLY . 16672 1 15 . THR . 16672 1 16 . GLU . 16672 1 17 . ASN . 16672 1 18 . LEU . 16672 1 19 . TYR . 16672 1 20 . PHE . 16672 1 21 . GLN . 16672 1 22 . SER . 16672 1 23 . ASN . 16672 1 24 . ALA . 16672 1 25 . ARG . 16672 1 26 . ARG . 16672 1 27 . LYS . 16672 1 28 . PRO . 16672 1 29 . LEU . 16672 1 30 . PHE . 16672 1 31 . TYR . 16672 1 32 . THR . 16672 1 33 . ILE . 16672 1 34 . ASN . 16672 1 35 . LEU . 16672 1 36 . ILE . 16672 1 37 . ILE . 16672 1 38 . PRO . 16672 1 39 . CYS . 16672 1 40 . VAL . 16672 1 41 . LEU . 16672 1 42 . ILE . 16672 1 43 . THR . 16672 1 44 . SER . 16672 1 45 . LEU . 16672 1 46 . ALA . 16672 1 47 . ILE . 16672 1 48 . LEU . 16672 1 49 . VAL . 16672 1 50 . PHE . 16672 1 51 . TYR . 16672 1 52 . LEU . 16672 1 53 . PRO . 16672 1 54 . SER . 16672 1 55 . ASP . 16672 1 56 . CYS . 16672 1 57 . GLY . 16672 1 58 . GLU . 16672 1 59 . LYS . 16672 1 60 . MET . 16672 1 61 . THR . 16672 1 62 . LEU . 16672 1 63 . CYS . 16672 1 64 . ILE . 16672 1 65 . SER . 16672 1 66 . VAL . 16672 1 67 . LEU . 16672 1 68 . LEU . 16672 1 69 . ALA . 16672 1 70 . LEU . 16672 1 71 . THR . 16672 1 72 . VAL . 16672 1 73 . PHE . 16672 1 74 . LEU . 16672 1 75 . LEU . 16672 1 76 . LEU . 16672 1 77 . ILE . 16672 1 78 . SER . 16672 1 79 . LYS . 16672 1 80 . ILE . 16672 1 81 . VAL . 16672 1 82 . PRO . 16672 1 83 . PRO . 16672 1 84 . THR . 16672 1 85 . SER . 16672 1 86 . LEU . 16672 1 87 . ASP . 16672 1 88 . VAL . 16672 1 89 . PRO . 16672 1 90 . LEU . 16672 1 91 . VAL . 16672 1 92 . GLY . 16672 1 93 . LYS . 16672 1 94 . TYR . 16672 1 95 . LEU . 16672 1 96 . MET . 16672 1 97 . PHE . 16672 1 98 . THR . 16672 1 99 . MET . 16672 1 100 . VAL . 16672 1 101 . LEU . 16672 1 102 . VAL . 16672 1 103 . THR . 16672 1 104 . PHE . 16672 1 105 . SER . 16672 1 106 . ILE . 16672 1 107 . VAL . 16672 1 108 . THR . 16672 1 109 . SER . 16672 1 110 . VAL . 16672 1 111 . CYS . 16672 1 112 . VAL . 16672 1 113 . LEU . 16672 1 114 . ASN . 16672 1 115 . VAL . 16672 1 116 . HIS . 16672 1 117 . HIS . 16672 1 118 . ARG . 16672 1 119 . SER . 16672 1 120 . PRO . 16672 1 121 . THR . 16672 1 122 . THR . 16672 1 123 . HIS . 16672 1 124 . THR . 16672 1 125 . PRO . 16672 1 126 . ARG . 16672 1 127 . GLY . 16672 1 128 . GLY . 16672 1 129 . GLY . 16672 1 130 . GLY . 16672 1 131 . TYR . 16672 1 132 . VAL . 16672 1 133 . ALA . 16672 1 134 . MET . 16672 1 135 . VAL . 16672 1 136 . ILE . 16672 1 137 . ASP . 16672 1 138 . ARG . 16672 1 139 . LEU . 16672 1 140 . PHE . 16672 1 141 . LEU . 16672 1 142 . TRP . 16672 1 143 . ILE . 16672 1 144 . PHE . 16672 1 145 . VAL . 16672 1 146 . PHE . 16672 1 147 . VAL . 16672 1 148 . CYS . 16672 1 149 . VAL . 16672 1 150 . PHE . 16672 1 151 . GLY . 16672 1 152 . THR . 16672 1 153 . ILE . 16672 1 154 . GLY . 16672 1 155 . MET . 16672 1 156 . PHE . 16672 1 157 . LEU . 16672 1 158 . GLN . 16672 1 159 . PRO . 16672 1 160 . LEU . 16672 1 161 . PHE . 16672 1 162 . GLN . 16672 1 163 . ASN . 16672 1 164 . TYR . 16672 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 . MET 1 1 16672 1 . HIS 2 2 16672 1 . HIS 3 3 16672 1 . HIS 4 4 16672 1 . HIS 5 5 16672 1 . HIS 6 6 16672 1 . HIS 7 7 16672 1 . SER 8 8 16672 1 . THR 9 9 16672 1 . SER 10 10 16672 1 . VAL 11 11 16672 1 . ASP 12 12 16672 1 . LEU 13 13 16672 1 . GLY 14 14 16672 1 . THR 15 15 16672 1 . GLU 16 16 16672 1 . ASN 17 17 16672 1 . LEU 18 18 16672 1 . TYR 19 19 16672 1 . PHE 20 20 16672 1 . GLN 21 21 16672 1 . SER 22 22 16672 1 . ASN 23 23 16672 1 . ALA 24 24 16672 1 . ARG 25 25 16672 1 . ARG 26 26 16672 1 . LYS 27 27 16672 1 . PRO 28 28 16672 1 . LEU 29 29 16672 1 . PHE 30 30 16672 1 . TYR 31 31 16672 1 . THR 32 32 16672 1 . ILE 33 33 16672 1 . ASN 34 34 16672 1 . LEU 35 35 16672 1 . ILE 36 36 16672 1 . ILE 37 37 16672 1 . PRO 38 38 16672 1 . CYS 39 39 16672 1 . VAL 40 40 16672 1 . LEU 41 41 16672 1 . ILE 42 42 16672 1 . THR 43 43 16672 1 . SER 44 44 16672 1 . LEU 45 45 16672 1 . ALA 46 46 16672 1 . ILE 47 47 16672 1 . LEU 48 48 16672 1 . VAL 49 49 16672 1 . PHE 50 50 16672 1 . TYR 51 51 16672 1 . LEU 52 52 16672 1 . PRO 53 53 16672 1 . SER 54 54 16672 1 . ASP 55 55 16672 1 . CYS 56 56 16672 1 . GLY 57 57 16672 1 . GLU 58 58 16672 1 . LYS 59 59 16672 1 . MET 60 60 16672 1 . THR 61 61 16672 1 . LEU 62 62 16672 1 . CYS 63 63 16672 1 . ILE 64 64 16672 1 . SER 65 65 16672 1 . VAL 66 66 16672 1 . LEU 67 67 16672 1 . LEU 68 68 16672 1 . ALA 69 69 16672 1 . LEU 70 70 16672 1 . THR 71 71 16672 1 . VAL 72 72 16672 1 . PHE 73 73 16672 1 . LEU 74 74 16672 1 . LEU 75 75 16672 1 . LEU 76 76 16672 1 . ILE 77 77 16672 1 . SER 78 78 16672 1 . LYS 79 79 16672 1 . ILE 80 80 16672 1 . VAL 81 81 16672 1 . PRO 82 82 16672 1 . PRO 83 83 16672 1 . THR 84 84 16672 1 . SER 85 85 16672 1 . LEU 86 86 16672 1 . ASP 87 87 16672 1 . VAL 88 88 16672 1 . PRO 89 89 16672 1 . LEU 90 90 16672 1 . VAL 91 91 16672 1 . GLY 92 92 16672 1 . LYS 93 93 16672 1 . TYR 94 94 16672 1 . LEU 95 95 16672 1 . MET 96 96 16672 1 . PHE 97 97 16672 1 . THR 98 98 16672 1 . MET 99 99 16672 1 . VAL 100 100 16672 1 . LEU 101 101 16672 1 . VAL 102 102 16672 1 . THR 103 103 16672 1 . PHE 104 104 16672 1 . SER 105 105 16672 1 . ILE 106 106 16672 1 . VAL 107 107 16672 1 . THR 108 108 16672 1 . SER 109 109 16672 1 . VAL 110 110 16672 1 . CYS 111 111 16672 1 . VAL 112 112 16672 1 . LEU 113 113 16672 1 . ASN 114 114 16672 1 . VAL 115 115 16672 1 . HIS 116 116 16672 1 . HIS 117 117 16672 1 . ARG 118 118 16672 1 . SER 119 119 16672 1 . PRO 120 120 16672 1 . THR 121 121 16672 1 . THR 122 122 16672 1 . HIS 123 123 16672 1 . THR 124 124 16672 1 . PRO 125 125 16672 1 . ARG 126 126 16672 1 . GLY 127 127 16672 1 . GLY 128 128 16672 1 . GLY 129 129 16672 1 . GLY 130 130 16672 1 . TYR 131 131 16672 1 . VAL 132 132 16672 1 . ALA 133 133 16672 1 . MET 134 134 16672 1 . VAL 135 135 16672 1 . ILE 136 136 16672 1 . ASP 137 137 16672 1 . ARG 138 138 16672 1 . LEU 139 139 16672 1 . PHE 140 140 16672 1 . LEU 141 141 16672 1 . TRP 142 142 16672 1 . ILE 143 143 16672 1 . PHE 144 144 16672 1 . VAL 145 145 16672 1 . PHE 146 146 16672 1 . VAL 147 147 16672 1 . CYS 148 148 16672 1 . VAL 149 149 16672 1 . PHE 150 150 16672 1 . GLY 151 151 16672 1 . THR 152 152 16672 1 . ILE 153 153 16672 1 . GLY 154 154 16672 1 . MET 155 155 16672 1 . PHE 156 156 16672 1 . LEU 157 157 16672 1 . GLN 158 158 16672 1 . PRO 159 159 16672 1 . LEU 160 160 16672 1 . PHE 161 161 16672 1 . GLN 162 162 16672 1 . ASN 163 163 16672 1 . TYR 164 164 16672 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 16672 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 16672 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 16672 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pTBSG1 . . . . . . 16672 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16672 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'TM123 of n-AChR b2 subunit' _Sample.Aggregate_sample_number . _Sample.Solvent_system '50% HFIP/50% H2O' _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 TM123 '[U-100% 13C; U-100% 15N]' . . 1 $entity . . 0.2 . . mM . . . . 16672 1 2 HFIP 'natural abundance' . . . . . . 50 . . % . . . . 16672 1 3 H2O 'natural abundance' . . . . . . 50 . . % . . . . 16672 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 16672 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'TM1234 of n-AChR b2 subunit' _Sample.Aggregate_sample_number . _Sample.Solvent_system '50% HFIP/ 50% H2O' _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 TM1234 '[U-100% 13C; U-100% 15N]' . . 1 $entity . . 0.2 . . mM . . . . 16672 2 2 HFIP 'natural abundance' . . . . . . 50 . . % . . . . 16672 2 3 H2O 'natural abundance' . . . . . . 50 . . % . . . . 16672 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 16672 _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 pH 3.8 . pH 16672 1 pressure 1 . atm 16672 1 temperature 313 . K 16672 1 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 16672 _Software.ID 1 _Software.Name CYANA _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 16672 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 16672 1 refinement 16672 1 'structure solution' 16672 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 16672 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 16672 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 16672 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_spectrometer_4 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_4 _NMR_spectrometer.Entry_ID 16672 _NMR_spectrometer.ID 4 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 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 16672 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 900 . . . 16672 1 2 spectrometer_2 Bruker Avance . 800 . . . 16672 1 3 spectrometer_3 Bruker Avance . 700 . . . 16672 1 4 spectrometer_4 Bruker Avance . 600 . . . 16672 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 16672 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16672 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16672 1 3 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16672 1 4 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16672 1 5 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16672 1 6 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16672 1 7 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16672 1 8 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16672 1 9 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16672 1 10 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16672 1 11 '2D 1H-13C HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16672 1 12 '3D HNCA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16672 1 13 '3D 1H-15N NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16672 1 14 '3D 1H-13C NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16672 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 16672 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 internal indirect 0.25144953 . . . 1 $entry_citation . . 1 $entry_citation 16672 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . 1 $entry_citation . . 1 $entry_citation 16672 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 internal indirect 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 16672 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 16672 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 16672 1 10 '2D 1H-15N HSQC' . . . 16672 1 11 '2D 1H-13C HSQC' . . . 16672 1 13 '3D 1H-15N NOESY' . . . 16672 1 14 '3D 1H-13C NOESY' . . . 16672 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 25 25 ARG H H 1 7.577 0.007 . 1 . . . . 25 ARG H . 16672 1 2 . 1 1 25 25 ARG HA H 1 4.177 0.006 . 1 . . . . 25 ARG HA . 16672 1 3 . 1 1 25 25 ARG HB2 H 1 1.976 0.009 . 2 . . . . 25 ARG HB2 . 16672 1 4 . 1 1 25 25 ARG HB3 H 1 1.839 0.006 . 2 . . . . 25 ARG HB3 . 16672 1 5 . 1 1 25 25 ARG HD2 H 1 3.177 0.017 . 2 . . . . 25 ARG QD . 16672 1 6 . 1 1 25 25 ARG HD3 H 1 3.177 0.017 . 2 . . . . 25 ARG QD . 16672 1 7 . 1 1 25 25 ARG HG2 H 1 1.692 0.008 . 2 . . . . 25 ARG QG . 16672 1 8 . 1 1 25 25 ARG HG3 H 1 1.692 0.008 . 2 . . . . 25 ARG QG . 16672 1 9 . 1 1 25 25 ARG CA C 13 57.263 0.000 . 1 . . . . 25 ARG CA . 16672 1 10 . 1 1 25 25 ARG CB C 13 30.164 0.018 . 1 . . . . 25 ARG CB . 16672 1 11 . 1 1 25 25 ARG CD C 13 43.364 0.150 . 1 . . . . 25 ARG CD . 16672 1 12 . 1 1 25 25 ARG CG C 13 27.006 0.004 . 1 . . . . 25 ARG CG . 16672 1 13 . 1 1 25 25 ARG N N 15 113.563 0.071 . 1 . . . . 25 ARG N . 16672 1 14 . 1 1 26 26 ARG H H 1 7.479 0.009 . 1 . . . . 26 ARG H . 16672 1 15 . 1 1 26 26 ARG HA H 1 4.330 0.005 . 1 . . . . 26 ARG HA . 16672 1 16 . 1 1 26 26 ARG HB2 H 1 1.974 0.012 . 2 . . . . 26 ARG HB2 . 16672 1 17 . 1 1 26 26 ARG HB3 H 1 1.925 0.007 . 2 . . . . 26 ARG HB3 . 16672 1 18 . 1 1 26 26 ARG HD2 H 1 3.179 0.015 . 2 . . . . 26 ARG QD . 16672 1 19 . 1 1 26 26 ARG HD3 H 1 3.179 0.015 . 2 . . . . 26 ARG QD . 16672 1 20 . 1 1 26 26 ARG HG2 H 1 1.694 0.012 . 2 . . . . 26 ARG QG . 16672 1 21 . 1 1 26 26 ARG HG3 H 1 1.694 0.012 . 2 . . . . 26 ARG QG . 16672 1 22 . 1 1 26 26 ARG CA C 13 56.991 0.001 . 1 . . . . 26 ARG CA . 16672 1 23 . 1 1 26 26 ARG CB C 13 30.489 0.062 . 1 . . . . 26 ARG CB . 16672 1 24 . 1 1 26 26 ARG CD C 13 43.242 0.150 . 1 . . . . 26 ARG CD . 16672 1 25 . 1 1 26 26 ARG CG C 13 27.017 0.150 . 1 . . . . 26 ARG CG . 16672 1 26 . 1 1 26 26 ARG N N 15 117.116 0.133 . 1 . . . . 26 ARG N . 16672 1 27 . 1 1 27 27 LYS H H 1 7.678 0.012 . 1 . . . . 27 LYS H . 16672 1 28 . 1 1 27 27 LYS HA H 1 4.495 0.011 . 1 . . . . 27 LYS HA . 16672 1 29 . 1 1 27 27 LYS HB3 H 1 1.865 0.008 . 2 . . . . 27 LYS HB3 . 16672 1 30 . 1 1 27 27 LYS HD2 H 1 1.678 0.012 . 2 . . . . 27 LYS QD . 16672 1 31 . 1 1 27 27 LYS HD3 H 1 1.678 0.012 . 2 . . . . 27 LYS QD . 16672 1 32 . 1 1 27 27 LYS HE2 H 1 2.985 0.006 . 2 . . . . 27 LYS QE . 16672 1 33 . 1 1 27 27 LYS HE3 H 1 2.985 0.006 . 2 . . . . 27 LYS QE . 16672 1 34 . 1 1 27 27 LYS HG2 H 1 1.577 0.001 . 2 . . . . 27 LYS HG2 . 16672 1 35 . 1 1 27 27 LYS HG3 H 1 1.456 0.008 . 2 . . . . 27 LYS HG3 . 16672 1 36 . 1 1 27 27 LYS CA C 13 57.159 0.150 . 1 . . . . 27 LYS CA . 16672 1 37 . 1 1 27 27 LYS CB C 13 31.969 0.003 . 1 . . . . 27 LYS CB . 16672 1 38 . 1 1 27 27 LYS CD C 13 29.226 0.016 . 1 . . . . 27 LYS CD . 16672 1 39 . 1 1 27 27 LYS CE C 13 42.356 0.019 . 1 . . . . 27 LYS CE . 16672 1 40 . 1 1 27 27 LYS CG C 13 24.975 0.066 . 1 . . . . 27 LYS CG . 16672 1 41 . 1 1 27 27 LYS N N 15 119.639 0.086 . 1 . . . . 27 LYS N . 16672 1 42 . 1 1 28 28 PRO HA H 1 4.445 0.012 . 1 . . . . 28 PRO HA . 16672 1 43 . 1 1 28 28 PRO HB2 H 1 2.320 0.006 . 2 . . . . 28 PRO HB2 . 16672 1 44 . 1 1 28 28 PRO HB3 H 1 1.839 0.008 . 2 . . . . 28 PRO HB3 . 16672 1 45 . 1 1 28 28 PRO HD2 H 1 3.770 0.004 . 2 . . . . 28 PRO HD2 . 16672 1 46 . 1 1 28 28 PRO HD3 H 1 3.665 0.013 . 2 . . . . 28 PRO HD3 . 16672 1 47 . 1 1 28 28 PRO HG2 H 1 2.057 0.010 . 2 . . . . 28 PRO HG2 . 16672 1 48 . 1 1 28 28 PRO CA C 13 64.577 0.020 . 1 . . . . 28 PRO CA . 16672 1 49 . 1 1 28 28 PRO CB C 13 30.982 0.027 . 1 . . . . 28 PRO CB . 16672 1 50 . 1 1 28 28 PRO CD C 13 50.218 0.112 . 1 . . . . 28 PRO CD . 16672 1 51 . 1 1 28 28 PRO CG C 13 27.204 0.150 . 1 . . . . 28 PRO CG . 16672 1 52 . 1 1 29 29 LEU H H 1 7.346 0.013 . 1 . . . . 29 LEU H . 16672 1 53 . 1 1 29 29 LEU HA H 1 4.225 0.010 . 1 . . . . 29 LEU HA . 16672 1 54 . 1 1 29 29 LEU HB2 H 1 1.687 0.007 . 2 . . . . 29 LEU HB2 . 16672 1 55 . 1 1 29 29 LEU HD11 H 1 0.948 0.004 . 2 . . . . 29 LEU QD1 . 16672 1 56 . 1 1 29 29 LEU HD12 H 1 0.948 0.004 . 2 . . . . 29 LEU QD1 . 16672 1 57 . 1 1 29 29 LEU HD13 H 1 0.948 0.004 . 2 . . . . 29 LEU QD1 . 16672 1 58 . 1 1 29 29 LEU HG H 1 1.675 0.002 . 1 . . . . 29 LEU HG . 16672 1 59 . 1 1 29 29 LEU CA C 13 57.911 0.150 . 1 . . . . 29 LEU CA . 16672 1 60 . 1 1 29 29 LEU CB C 13 42.143 0.023 . 1 . . . . 29 LEU CB . 16672 1 61 . 1 1 29 29 LEU CD1 C 13 23.926 0.150 . 2 . . . . 29 LEU CD1 . 16672 1 62 . 1 1 29 29 LEU CG C 13 27.304 0.020 . 1 . . . . 29 LEU CG . 16672 1 63 . 1 1 29 29 LEU N N 15 119.453 0.042 . 1 . . . . 29 LEU N . 16672 1 64 . 1 1 30 30 PHE H H 1 7.665 0.019 . 1 . . . . 30 PHE H . 16672 1 65 . 1 1 30 30 PHE HA H 1 4.290 0.009 . 1 . . . . 30 PHE HA . 16672 1 66 . 1 1 30 30 PHE HB2 H 1 3.150 0.005 . 2 . . . . 30 PHE HB2 . 16672 1 67 . 1 1 30 30 PHE HD1 H 1 7.034 0.004 . 3 . . . . 30 PHE QD . 16672 1 68 . 1 1 30 30 PHE HD2 H 1 7.034 0.004 . 3 . . . . 30 PHE QD . 16672 1 69 . 1 1 30 30 PHE CA C 13 60.387 0.015 . 1 . . . . 30 PHE CA . 16672 1 70 . 1 1 30 30 PHE CB C 13 38.959 0.049 . 1 . . . . 30 PHE CB . 16672 1 71 . 1 1 30 30 PHE CD1 C 13 67.406 0.150 . 3 . . . . 30 PHE CD1 . 16672 1 72 . 1 1 30 30 PHE N N 15 116.954 0.059 . 1 . . . . 30 PHE N . 16672 1 73 . 1 1 31 31 TYR H H 1 7.995 0.010 . 1 . . . . 31 TYR H . 16672 1 74 . 1 1 31 31 TYR HA H 1 4.331 0.012 . 1 . . . . 31 TYR HA . 16672 1 75 . 1 1 31 31 TYR HB2 H 1 3.180 0.014 . 2 . . . . 31 TYR HB2 . 16672 1 76 . 1 1 31 31 TYR HB3 H 1 3.090 0.006 . 2 . . . . 31 TYR HB3 . 16672 1 77 . 1 1 31 31 TYR HD1 H 1 7.188 0.007 . 3 . . . . 31 TYR QD . 16672 1 78 . 1 1 31 31 TYR HD2 H 1 7.188 0.007 . 3 . . . . 31 TYR QD . 16672 1 79 . 1 1 31 31 TYR HE1 H 1 6.883 0.009 . 3 . . . . 31 TYR QE . 16672 1 80 . 1 1 31 31 TYR HE2 H 1 6.883 0.009 . 3 . . . . 31 TYR QE . 16672 1 81 . 1 1 31 31 TYR CA C 13 60.515 0.036 . 1 . . . . 31 TYR CA . 16672 1 82 . 1 1 31 31 TYR CB C 13 38.289 0.084 . 1 . . . . 31 TYR CB . 16672 1 83 . 1 1 31 31 TYR CD1 C 13 68.516 0.137 . 3 . . . . 31 TYR CD1 . 16672 1 84 . 1 1 31 31 TYR CE1 C 13 54.341 0.122 . 3 . . . . 31 TYR CE1 . 16672 1 85 . 1 1 31 31 TYR N N 15 118.164 0.051 . 1 . . . . 31 TYR N . 16672 1 86 . 1 1 32 32 THR H H 1 7.863 0.012 . 1 . . . . 32 THR H . 16672 1 87 . 1 1 32 32 THR HA H 1 4.090 0.010 . 1 . . . . 32 THR HA . 16672 1 88 . 1 1 32 32 THR HB H 1 4.455 0.012 . 1 . . . . 32 THR HB . 16672 1 89 . 1 1 32 32 THR HG21 H 1 1.321 0.005 . 1 . . . . 32 THR QG2 . 16672 1 90 . 1 1 32 32 THR HG22 H 1 1.321 0.005 . 1 . . . . 32 THR QG2 . 16672 1 91 . 1 1 32 32 THR HG23 H 1 1.321 0.005 . 1 . . . . 32 THR QG2 . 16672 1 92 . 1 1 32 32 THR CA C 13 65.944 0.008 . 1 . . . . 32 THR CA . 16672 1 93 . 1 1 32 32 THR CB C 13 69.361 0.001 . 1 . . . . 32 THR CB . 16672 1 94 . 1 1 32 32 THR CG2 C 13 20.658 0.150 . 1 . . . . 32 THR CG2 . 16672 1 95 . 1 1 32 32 THR N N 15 113.797 0.085 . 1 . . . . 32 THR N . 16672 1 96 . 1 1 33 33 ILE H H 1 8.065 0.018 . 1 . . . . 33 ILE H . 16672 1 97 . 1 1 33 33 ILE HA H 1 3.956 0.010 . 1 . . . . 33 ILE HA . 16672 1 98 . 1 1 33 33 ILE HB H 1 1.912 0.008 . 1 . . . . 33 ILE HB . 16672 1 99 . 1 1 33 33 ILE HD11 H 1 0.914 0.013 . 1 . . . . 33 ILE QD1 . 16672 1 100 . 1 1 33 33 ILE HD12 H 1 0.914 0.013 . 1 . . . . 33 ILE QD1 . 16672 1 101 . 1 1 33 33 ILE HD13 H 1 0.914 0.013 . 1 . . . . 33 ILE QD1 . 16672 1 102 . 1 1 33 33 ILE HG12 H 1 1.655 0.017 . 2 . . . . 33 ILE HG12 . 16672 1 103 . 1 1 33 33 ILE HG13 H 1 1.316 0.011 . 2 . . . . 33 ILE HG13 . 16672 1 104 . 1 1 33 33 ILE HG21 H 1 0.952 0.009 . 1 . . . . 33 ILE QG2 . 16672 1 105 . 1 1 33 33 ILE HG22 H 1 0.952 0.009 . 1 . . . . 33 ILE QG2 . 16672 1 106 . 1 1 33 33 ILE HG23 H 1 0.952 0.009 . 1 . . . . 33 ILE QG2 . 16672 1 107 . 1 1 33 33 ILE CA C 13 64.155 0.040 . 1 . . . . 33 ILE CA . 16672 1 108 . 1 1 33 33 ILE CB C 13 38.265 0.020 . 1 . . . . 33 ILE CB . 16672 1 109 . 1 1 33 33 ILE CD1 C 13 11.849 0.041 . 1 . . . . 33 ILE CD1 . 16672 1 110 . 1 1 33 33 ILE CG1 C 13 28.383 0.094 . 1 . . . . 33 ILE CG1 . 16672 1 111 . 1 1 33 33 ILE CG2 C 13 16.596 0.124 . 1 . . . . 33 ILE CG2 . 16672 1 112 . 1 1 33 33 ILE N N 15 119.929 0.022 . 1 . . . . 33 ILE N . 16672 1 113 . 1 1 34 34 ASN H H 1 7.564 0.010 . 1 . . . . 34 ASN H . 16672 1 114 . 1 1 34 34 ASN HA H 1 4.500 0.008 . 1 . . . . 34 ASN HA . 16672 1 115 . 1 1 34 34 ASN HB2 H 1 2.637 0.009 . 2 . . . . 34 ASN HB2 . 16672 1 116 . 1 1 34 34 ASN HD21 H 1 6.810 0.018 . 2 . . . . 34 ASN HD21 . 16672 1 117 . 1 1 34 34 ASN HD22 H 1 5.740 0.018 . 2 . . . . 34 ASN HD22 . 16672 1 118 . 1 1 34 34 ASN CA C 13 55.723 0.150 . 1 . . . . 34 ASN CA . 16672 1 119 . 1 1 34 34 ASN CB C 13 39.025 0.114 . 1 . . . . 34 ASN CB . 16672 1 120 . 1 1 34 34 ASN N N 15 115.047 0.091 . 1 . . . . 34 ASN N . 16672 1 121 . 1 1 34 34 ASN ND2 N 15 110.423 0.874 . 1 . . . . 34 ASN ND2 . 16672 1 122 . 1 1 35 35 LEU H H 1 7.719 0.007 . 1 . . . . 35 LEU H . 16672 1 123 . 1 1 35 35 LEU HA H 1 4.491 0.003 . 1 . . . . 35 LEU HA . 16672 1 124 . 1 1 35 35 LEU HB2 H 1 1.890 0.003 . 2 . . . . 35 LEU HB2 . 16672 1 125 . 1 1 35 35 LEU HB3 H 1 1.706 0.011 . 2 . . . . 35 LEU HB3 . 16672 1 126 . 1 1 35 35 LEU HD11 H 1 0.928 0.007 . 2 . . . . 35 LEU QD1 . 16672 1 127 . 1 1 35 35 LEU HD12 H 1 0.928 0.007 . 2 . . . . 35 LEU QD1 . 16672 1 128 . 1 1 35 35 LEU HD13 H 1 0.928 0.007 . 2 . . . . 35 LEU QD1 . 16672 1 129 . 1 1 35 35 LEU HG H 1 1.716 0.013 . 1 . . . . 35 LEU HG . 16672 1 130 . 1 1 35 35 LEU CA C 13 56.394 0.150 . 1 . . . . 35 LEU CA . 16672 1 131 . 1 1 35 35 LEU CB C 13 43.004 0.062 . 1 . . . . 35 LEU CB . 16672 1 132 . 1 1 35 35 LEU CD1 C 13 23.337 0.270 . 2 . . . . 35 LEU CD1 . 16672 1 133 . 1 1 35 35 LEU CG C 13 27.028 0.004 . 1 . . . . 35 LEU CG . 16672 1 134 . 1 1 35 35 LEU N N 15 118.242 0.057 . 1 . . . . 35 LEU N . 16672 1 135 . 1 1 36 36 ILE H H 1 7.755 0.014 . 1 . . . . 36 ILE H . 16672 1 136 . 1 1 36 36 ILE HA H 1 4.121 0.014 . 1 . . . . 36 ILE HA . 16672 1 137 . 1 1 36 36 ILE HB H 1 2.067 0.005 . 1 . . . . 36 ILE HB . 16672 1 138 . 1 1 36 36 ILE HD11 H 1 0.900 0.005 . 1 . . . . 36 ILE QD1 . 16672 1 139 . 1 1 36 36 ILE HD12 H 1 0.900 0.005 . 1 . . . . 36 ILE QD1 . 16672 1 140 . 1 1 36 36 ILE HD13 H 1 0.900 0.005 . 1 . . . . 36 ILE QD1 . 16672 1 141 . 1 1 36 36 ILE HG12 H 1 1.668 0.010 . 2 . . . . 36 ILE HG12 . 16672 1 142 . 1 1 36 36 ILE HG13 H 1 1.327 0.008 . 2 . . . . 36 ILE HG13 . 16672 1 143 . 1 1 36 36 ILE HG21 H 1 0.979 0.011 . 1 . . . . 36 ILE QG2 . 16672 1 144 . 1 1 36 36 ILE HG22 H 1 0.979 0.011 . 1 . . . . 36 ILE QG2 . 16672 1 145 . 1 1 36 36 ILE HG23 H 1 0.979 0.011 . 1 . . . . 36 ILE QG2 . 16672 1 146 . 1 1 36 36 ILE CA C 13 63.494 0.041 . 1 . . . . 36 ILE CA . 16672 1 147 . 1 1 36 36 ILE CB C 13 39.004 0.016 . 1 . . . . 36 ILE CB . 16672 1 148 . 1 1 36 36 ILE CD1 C 13 11.802 0.094 . 1 . . . . 36 ILE CD1 . 16672 1 149 . 1 1 36 36 ILE CG1 C 13 27.848 0.052 . 1 . . . . 36 ILE CG1 . 16672 1 150 . 1 1 36 36 ILE CG2 C 13 16.637 0.103 . 1 . . . . 36 ILE CG2 . 16672 1 151 . 1 1 36 36 ILE N N 15 117.756 0.024 . 1 . . . . 36 ILE N . 16672 1 152 . 1 1 37 37 ILE H H 1 7.867 0.020 . 1 . . . . 37 ILE H . 16672 1 153 . 1 1 37 37 ILE HA H 1 4.040 0.008 . 1 . . . . 37 ILE HA . 16672 1 154 . 1 1 37 37 ILE HB H 1 2.114 0.006 . 1 . . . . 37 ILE HB . 16672 1 155 . 1 1 37 37 ILE HD11 H 1 0.916 0.016 . 1 . . . . 37 ILE QD1 . 16672 1 156 . 1 1 37 37 ILE HD12 H 1 0.916 0.016 . 1 . . . . 37 ILE QD1 . 16672 1 157 . 1 1 37 37 ILE HD13 H 1 0.916 0.016 . 1 . . . . 37 ILE QD1 . 16672 1 158 . 1 1 37 37 ILE HG12 H 1 1.732 0.004 . 2 . . . . 37 ILE HG12 . 16672 1 159 . 1 1 37 37 ILE HG13 H 1 1.316 0.007 . 2 . . . . 37 ILE HG13 . 16672 1 160 . 1 1 37 37 ILE HG21 H 1 0.962 0.007 . 1 . . . . 37 ILE QG2 . 16672 1 161 . 1 1 37 37 ILE HG22 H 1 0.962 0.007 . 1 . . . . 37 ILE QG2 . 16672 1 162 . 1 1 37 37 ILE HG23 H 1 0.962 0.007 . 1 . . . . 37 ILE QG2 . 16672 1 163 . 1 1 37 37 ILE CA C 13 64.855 0.150 . 1 . . . . 37 ILE CA . 16672 1 164 . 1 1 37 37 ILE CB C 13 35.891 0.022 . 1 . . . . 37 ILE CB . 16672 1 165 . 1 1 37 37 ILE CD1 C 13 11.891 0.051 . 1 . . . . 37 ILE CD1 . 16672 1 166 . 1 1 37 37 ILE CG1 C 13 29.035 0.001 . 1 . . . . 37 ILE CG1 . 16672 1 167 . 1 1 37 37 ILE CG2 C 13 16.673 0.058 . 1 . . . . 37 ILE CG2 . 16672 1 168 . 1 1 37 37 ILE N N 15 119.644 0.075 . 1 . . . . 37 ILE N . 16672 1 169 . 1 1 38 38 PRO HA H 1 4.299 0.009 . 1 . . . . 38 PRO HA . 16672 1 170 . 1 1 38 38 PRO HB2 H 1 2.325 0.002 . 2 . . . . 38 PRO HB2 . 16672 1 171 . 1 1 38 38 PRO HB3 H 1 1.934 0.007 . 2 . . . . 38 PRO HB3 . 16672 1 172 . 1 1 38 38 PRO HD2 H 1 3.704 0.001 . 2 . . . . 38 PRO HD2 . 16672 1 173 . 1 1 38 38 PRO HD3 H 1 3.567 0.012 . 2 . . . . 38 PRO HD3 . 16672 1 174 . 1 1 38 38 PRO HG2 H 1 2.030 0.002 . 2 . . . . 38 PRO HG2 . 16672 1 175 . 1 1 38 38 PRO CA C 13 66.436 0.019 . 1 . . . . 38 PRO CA . 16672 1 176 . 1 1 38 38 PRO CB C 13 30.332 0.063 . 1 . . . . 38 PRO CB . 16672 1 177 . 1 1 38 38 PRO CD C 13 50.103 0.200 . 1 . . . . 38 PRO CD . 16672 1 178 . 1 1 38 38 PRO CG C 13 27.429 0.013 . 1 . . . . 38 PRO CG . 16672 1 179 . 1 1 39 39 CYS H H 1 7.327 0.007 . 1 . . . . 39 CYS H . 16672 1 180 . 1 1 39 39 CYS HA H 1 4.173 0.013 . 1 . . . . 39 CYS HA . 16672 1 181 . 1 1 39 39 CYS HB2 H 1 3.221 0.007 . 2 . . . . 39 CYS HB2 . 16672 1 182 . 1 1 39 39 CYS HB3 H 1 3.031 0.010 . 2 . . . . 39 CYS HB3 . 16672 1 183 . 1 1 39 39 CYS CA C 13 62.512 0.150 . 1 . . . . 39 CYS CA . 16672 1 184 . 1 1 39 39 CYS CB C 13 26.286 0.167 . 1 . . . . 39 CYS CB . 16672 1 185 . 1 1 39 39 CYS N N 15 113.090 0.086 . 1 . . . . 39 CYS N . 16672 1 186 . 1 1 40 40 VAL H H 1 8.276 0.015 . 1 . . . . 40 VAL H . 16672 1 187 . 1 1 40 40 VAL HA H 1 3.671 0.010 . 1 . . . . 40 VAL HA . 16672 1 188 . 1 1 40 40 VAL HB H 1 2.340 0.013 . 1 . . . . 40 VAL HB . 16672 1 189 . 1 1 40 40 VAL HG11 H 1 1.076 0.005 . 2 . . . . 40 VAL QG1 . 16672 1 190 . 1 1 40 40 VAL HG12 H 1 1.076 0.005 . 2 . . . . 40 VAL QG1 . 16672 1 191 . 1 1 40 40 VAL HG13 H 1 1.076 0.005 . 2 . . . . 40 VAL QG1 . 16672 1 192 . 1 1 40 40 VAL HG21 H 1 0.963 0.014 . 2 . . . . 40 VAL QG2 . 16672 1 193 . 1 1 40 40 VAL HG22 H 1 0.963 0.014 . 2 . . . . 40 VAL QG2 . 16672 1 194 . 1 1 40 40 VAL HG23 H 1 0.963 0.014 . 2 . . . . 40 VAL QG2 . 16672 1 195 . 1 1 40 40 VAL CA C 13 66.631 0.150 . 1 . . . . 40 VAL CA . 16672 1 196 . 1 1 40 40 VAL CB C 13 31.351 0.049 . 1 . . . . 40 VAL CB . 16672 1 197 . 1 1 40 40 VAL CG1 C 13 21.227 0.057 . 2 . . . . 40 VAL CG1 . 16672 1 198 . 1 1 40 40 VAL CG2 C 13 20.325 0.150 . 2 . . . . 40 VAL CG2 . 16672 1 199 . 1 1 40 40 VAL N N 15 123.042 0.044 . 1 . . . . 40 VAL N . 16672 1 200 . 1 1 41 41 LEU H H 1 8.381 0.011 . 1 . . . . 41 LEU H . 16672 1 201 . 1 1 41 41 LEU HA H 1 4.089 0.006 . 1 . . . . 41 LEU HA . 16672 1 202 . 1 1 41 41 LEU HB2 H 1 1.879 0.002 . 2 . . . . 41 LEU HB2 . 16672 1 203 . 1 1 41 41 LEU HD11 H 1 0.934 0.003 . 2 . . . . 41 LEU QD1 . 16672 1 204 . 1 1 41 41 LEU HD12 H 1 0.934 0.003 . 2 . . . . 41 LEU QD1 . 16672 1 205 . 1 1 41 41 LEU HD13 H 1 0.934 0.003 . 2 . . . . 41 LEU QD1 . 16672 1 206 . 1 1 41 41 LEU HG H 1 1.739 0.014 . 1 . . . . 41 LEU HG . 16672 1 207 . 1 1 41 41 LEU CA C 13 58.847 0.150 . 1 . . . . 41 LEU CA . 16672 1 208 . 1 1 41 41 LEU CB C 13 41.813 0.028 . 1 . . . . 41 LEU CB . 16672 1 209 . 1 1 41 41 LEU CD1 C 13 23.880 0.008 . 2 . . . . 41 LEU CD1 . 16672 1 210 . 1 1 41 41 LEU CG C 13 26.921 0.046 . 1 . . . . 41 LEU CG . 16672 1 211 . 1 1 41 41 LEU N N 15 122.533 0.069 . 1 . . . . 41 LEU N . 16672 1 212 . 1 1 42 42 ILE H H 1 8.514 0.016 . 1 . . . . 42 ILE H . 16672 1 213 . 1 1 42 42 ILE HA H 1 3.879 0.009 . 1 . . . . 42 ILE HA . 16672 1 214 . 1 1 42 42 ILE HB H 1 1.961 0.006 . 1 . . . . 42 ILE HB . 16672 1 215 . 1 1 42 42 ILE HD11 H 1 0.911 0.012 . 1 . . . . 42 ILE QD1 . 16672 1 216 . 1 1 42 42 ILE HD12 H 1 0.911 0.012 . 1 . . . . 42 ILE QD1 . 16672 1 217 . 1 1 42 42 ILE HD13 H 1 0.911 0.012 . 1 . . . . 42 ILE QD1 . 16672 1 218 . 1 1 42 42 ILE HG12 H 1 1.783 0.006 . 2 . . . . 42 ILE HG12 . 16672 1 219 . 1 1 42 42 ILE HG13 H 1 1.317 0.008 . 2 . . . . 42 ILE HG13 . 16672 1 220 . 1 1 42 42 ILE HG21 H 1 1.020 0.002 . 1 . . . . 42 ILE QG2 . 16672 1 221 . 1 1 42 42 ILE HG22 H 1 1.020 0.002 . 1 . . . . 42 ILE QG2 . 16672 1 222 . 1 1 42 42 ILE HG23 H 1 1.020 0.002 . 1 . . . . 42 ILE QG2 . 16672 1 223 . 1 1 42 42 ILE CA C 13 65.163 0.150 . 1 . . . . 42 ILE CA . 16672 1 224 . 1 1 42 42 ILE CB C 13 38.050 0.018 . 1 . . . . 42 ILE CB . 16672 1 225 . 1 1 42 42 ILE CD1 C 13 11.786 0.071 . 1 . . . . 42 ILE CD1 . 16672 1 226 . 1 1 42 42 ILE CG1 C 13 29.043 0.049 . 1 . . . . 42 ILE CG1 . 16672 1 227 . 1 1 42 42 ILE CG2 C 13 16.565 0.088 . 1 . . . . 42 ILE CG2 . 16672 1 228 . 1 1 42 42 ILE N N 15 118.062 0.017 . 1 . . . . 42 ILE N . 16672 1 229 . 1 1 43 43 THR H H 1 7.953 0.013 . 1 . . . . 43 THR H . 16672 1 230 . 1 1 43 43 THR HA H 1 4.027 0.008 . 1 . . . . 43 THR HA . 16672 1 231 . 1 1 43 43 THR HB H 1 4.336 0.007 . 1 . . . . 43 THR HB . 16672 1 232 . 1 1 43 43 THR HG21 H 1 1.367 0.003 . 1 . . . . 43 THR QG2 . 16672 1 233 . 1 1 43 43 THR HG22 H 1 1.367 0.003 . 1 . . . . 43 THR QG2 . 16672 1 234 . 1 1 43 43 THR HG23 H 1 1.367 0.003 . 1 . . . . 43 THR QG2 . 16672 1 235 . 1 1 43 43 THR CA C 13 66.698 0.150 . 1 . . . . 43 THR CA . 16672 1 236 . 1 1 43 43 THR CB C 13 69.384 0.118 . 1 . . . . 43 THR CB . 16672 1 237 . 1 1 43 43 THR CG2 C 13 20.593 0.075 . 1 . . . . 43 THR CG2 . 16672 1 238 . 1 1 43 43 THR N N 15 113.326 0.075 . 1 . . . . 43 THR N . 16672 1 239 . 1 1 44 44 SER H H 1 8.053 0.014 . 1 . . . . 44 SER H . 16672 1 240 . 1 1 44 44 SER HA H 1 4.282 0.011 . 1 . . . . 44 SER HA . 16672 1 241 . 1 1 44 44 SER HB2 H 1 3.967 0.002 . 2 . . . . 44 SER HB2 . 16672 1 242 . 1 1 44 44 SER CA C 13 62.388 0.008 . 1 . . . . 44 SER CA . 16672 1 243 . 1 1 44 44 SER CB C 13 62.886 0.008 . 1 . . . . 44 SER CB . 16672 1 244 . 1 1 44 44 SER N N 15 115.973 0.062 . 1 . . . . 44 SER N . 16672 1 245 . 1 1 45 45 LEU H H 1 7.994 0.009 . 1 . . . . 45 LEU H . 16672 1 246 . 1 1 45 45 LEU HA H 1 4.257 0.008 . 1 . . . . 45 LEU HA . 16672 1 247 . 1 1 45 45 LEU HB2 H 1 1.925 0.014 . 2 . . . . 45 LEU HB2 . 16672 1 248 . 1 1 45 45 LEU HB3 H 1 1.702 0.010 . 2 . . . . 45 LEU HB3 . 16672 1 249 . 1 1 45 45 LEU HD11 H 1 0.943 0.013 . 2 . . . . 45 LEU QD1 . 16672 1 250 . 1 1 45 45 LEU HD12 H 1 0.943 0.013 . 2 . . . . 45 LEU QD1 . 16672 1 251 . 1 1 45 45 LEU HD13 H 1 0.943 0.013 . 2 . . . . 45 LEU QD1 . 16672 1 252 . 1 1 45 45 LEU HG H 1 1.702 0.007 . 1 . . . . 45 LEU HG . 16672 1 253 . 1 1 45 45 LEU CA C 13 57.637 0.150 . 1 . . . . 45 LEU CA . 16672 1 254 . 1 1 45 45 LEU CB C 13 41.975 0.150 . 1 . . . . 45 LEU CB . 16672 1 255 . 1 1 45 45 LEU CD1 C 13 23.814 0.220 . 2 . . . . 45 LEU CD1 . 16672 1 256 . 1 1 45 45 LEU CG C 13 27.037 0.028 . 1 . . . . 45 LEU CG . 16672 1 257 . 1 1 45 45 LEU N N 15 122.748 0.062 . 1 . . . . 45 LEU N . 16672 1 258 . 1 1 46 46 ALA H H 1 8.187 0.010 . 1 . . . . 46 ALA H . 16672 1 259 . 1 1 46 46 ALA HA H 1 4.134 0.012 . 1 . . . . 46 ALA HA . 16672 1 260 . 1 1 46 46 ALA HB1 H 1 1.647 0.010 . 1 . . . . 46 ALA QB . 16672 1 261 . 1 1 46 46 ALA HB2 H 1 1.647 0.010 . 1 . . . . 46 ALA QB . 16672 1 262 . 1 1 46 46 ALA HB3 H 1 1.647 0.010 . 1 . . . . 46 ALA QB . 16672 1 263 . 1 1 46 46 ALA CA C 13 55.469 0.125 . 1 . . . . 46 ALA CA . 16672 1 264 . 1 1 46 46 ALA CB C 13 17.507 0.022 . 1 . . . . 46 ALA CB . 16672 1 265 . 1 1 46 46 ALA N N 15 120.404 0.073 . 1 . . . . 46 ALA N . 16672 1 266 . 1 1 47 47 ILE H H 1 7.952 0.015 . 1 . . . . 47 ILE H . 16672 1 267 . 1 1 47 47 ILE HA H 1 4.025 0.012 . 1 . . . . 47 ILE HA . 16672 1 268 . 1 1 47 47 ILE HB H 1 2.145 0.004 . 1 . . . . 47 ILE HB . 16672 1 269 . 1 1 47 47 ILE HD11 H 1 0.911 0.009 . 1 . . . . 47 ILE QD1 . 16672 1 270 . 1 1 47 47 ILE HD12 H 1 0.911 0.009 . 1 . . . . 47 ILE QD1 . 16672 1 271 . 1 1 47 47 ILE HD13 H 1 0.911 0.009 . 1 . . . . 47 ILE QD1 . 16672 1 272 . 1 1 47 47 ILE HG12 H 1 1.879 0.008 . 2 . . . . 47 ILE HG12 . 16672 1 273 . 1 1 47 47 ILE HG13 H 1 1.280 0.005 . 2 . . . . 47 ILE HG13 . 16672 1 274 . 1 1 47 47 ILE HG21 H 1 1.066 0.002 . 1 . . . . 47 ILE QG2 . 16672 1 275 . 1 1 47 47 ILE HG22 H 1 1.066 0.002 . 1 . . . . 47 ILE QG2 . 16672 1 276 . 1 1 47 47 ILE HG23 H 1 1.066 0.002 . 1 . . . . 47 ILE QG2 . 16672 1 277 . 1 1 47 47 ILE CA C 13 64.535 0.150 . 1 . . . . 47 ILE CA . 16672 1 278 . 1 1 47 47 ILE CB C 13 38.313 0.032 . 1 . . . . 47 ILE CB . 16672 1 279 . 1 1 47 47 ILE CD1 C 13 12.066 0.077 . 1 . . . . 47 ILE CD1 . 16672 1 280 . 1 1 47 47 ILE CG1 C 13 28.592 0.019 . 1 . . . . 47 ILE CG1 . 16672 1 281 . 1 1 47 47 ILE CG2 C 13 16.975 0.143 . 1 . . . . 47 ILE CG2 . 16672 1 282 . 1 1 47 47 ILE N N 15 116.797 0.158 . 1 . . . . 47 ILE N . 16672 1 283 . 1 1 48 48 LEU H H 1 7.867 0.012 . 1 . . . . 48 LEU H . 16672 1 284 . 1 1 48 48 LEU HA H 1 4.248 0.007 . 1 . . . . 48 LEU HA . 16672 1 285 . 1 1 48 48 LEU HB2 H 1 2.000 0.002 . 2 . . . . 48 LEU HB2 . 16672 1 286 . 1 1 48 48 LEU HB3 H 1 1.833 0.004 . 2 . . . . 48 LEU HB3 . 16672 1 287 . 1 1 48 48 LEU HD11 H 1 0.951 0.006 . 2 . . . . 48 LEU QD1 . 16672 1 288 . 1 1 48 48 LEU HD12 H 1 0.951 0.006 . 2 . . . . 48 LEU QD1 . 16672 1 289 . 1 1 48 48 LEU HD13 H 1 0.951 0.006 . 2 . . . . 48 LEU QD1 . 16672 1 290 . 1 1 48 48 LEU HG H 1 1.861 0.001 . 1 . . . . 48 LEU HG . 16672 1 291 . 1 1 48 48 LEU CA C 13 58.104 0.150 . 1 . . . . 48 LEU CA . 16672 1 292 . 1 1 48 48 LEU CB C 13 42.320 0.082 . 1 . . . . 48 LEU CB . 16672 1 293 . 1 1 48 48 LEU CD1 C 13 23.863 0.137 . 2 . . . . 48 LEU CD1 . 16672 1 294 . 1 1 48 48 LEU CG C 13 26.873 0.150 . 1 . . . . 48 LEU CG . 16672 1 295 . 1 1 48 48 LEU N N 15 119.669 0.028 . 1 . . . . 48 LEU N . 16672 1 296 . 1 1 49 49 VAL H H 1 8.342 0.019 . 1 . . . . 49 VAL H . 16672 1 297 . 1 1 49 49 VAL HA H 1 3.813 0.012 . 1 . . . . 49 VAL HA . 16672 1 298 . 1 1 49 49 VAL HB H 1 2.024 0.009 . 1 . . . . 49 VAL HB . 16672 1 299 . 1 1 49 49 VAL HG11 H 1 0.657 0.006 . 2 . . . . 49 VAL QG1 . 16672 1 300 . 1 1 49 49 VAL HG12 H 1 0.657 0.006 . 2 . . . . 49 VAL QG1 . 16672 1 301 . 1 1 49 49 VAL HG13 H 1 0.657 0.006 . 2 . . . . 49 VAL QG1 . 16672 1 302 . 1 1 49 49 VAL HG21 H 1 0.965 0.011 . 2 . . . . 49 VAL QG2 . 16672 1 303 . 1 1 49 49 VAL HG22 H 1 0.965 0.011 . 2 . . . . 49 VAL QG2 . 16672 1 304 . 1 1 49 49 VAL HG23 H 1 0.965 0.011 . 2 . . . . 49 VAL QG2 . 16672 1 305 . 1 1 49 49 VAL CA C 13 65.376 0.042 . 1 . . . . 49 VAL CA . 16672 1 306 . 1 1 49 49 VAL CB C 13 32.058 0.006 . 1 . . . . 49 VAL CB . 16672 1 307 . 1 1 49 49 VAL CG1 C 13 20.374 0.095 . 2 . . . . 49 VAL CG1 . 16672 1 308 . 1 1 49 49 VAL CG2 C 13 20.439 0.094 . 2 . . . . 49 VAL CG2 . 16672 1 309 . 1 1 49 49 VAL N N 15 115.295 0.057 . 1 . . . . 49 VAL N . 16672 1 310 . 1 1 50 50 PHE H H 1 8.050 0.014 . 1 . . . . 50 PHE H . 16672 1 311 . 1 1 50 50 PHE HA H 1 4.577 0.006 . 1 . . . . 50 PHE HA . 16672 1 312 . 1 1 50 50 PHE HB2 H 1 3.118 0.010 . 2 . . . . 50 PHE HB2 . 16672 1 313 . 1 1 50 50 PHE HD1 H 1 7.112 0.008 . 3 . . . . 50 PHE QD . 16672 1 314 . 1 1 50 50 PHE HD2 H 1 7.112 0.008 . 3 . . . . 50 PHE QD . 16672 1 315 . 1 1 50 50 PHE HE1 H 1 7.253 0.010 . 3 . . . . 50 PHE QE . 16672 1 316 . 1 1 50 50 PHE HE2 H 1 7.253 0.010 . 3 . . . . 50 PHE QE . 16672 1 317 . 1 1 50 50 PHE CA C 13 60.247 0.150 . 1 . . . . 50 PHE CA . 16672 1 318 . 1 1 50 50 PHE CB C 13 39.700 0.121 . 1 . . . . 50 PHE CB . 16672 1 319 . 1 1 50 50 PHE CD1 C 13 67.232 0.150 . 3 . . . . 50 PHE CD1 . 16672 1 320 . 1 1 50 50 PHE N N 15 117.196 0.046 . 1 . . . . 50 PHE N . 16672 1 321 . 1 1 51 51 TYR H H 1 8.244 0.013 . 1 . . . . 51 TYR H . 16672 1 322 . 1 1 51 51 TYR HA H 1 4.488 0.006 . 1 . . . . 51 TYR HA . 16672 1 323 . 1 1 51 51 TYR HB2 H 1 3.339 0.011 . 2 . . . . 51 TYR HB2 . 16672 1 324 . 1 1 51 51 TYR HB3 H 1 3.159 0.010 . 2 . . . . 51 TYR HB3 . 16672 1 325 . 1 1 51 51 TYR HD1 H 1 7.258 0.006 . 3 . . . . 51 TYR QD . 16672 1 326 . 1 1 51 51 TYR HD2 H 1 7.258 0.006 . 3 . . . . 51 TYR QD . 16672 1 327 . 1 1 51 51 TYR HE1 H 1 6.865 0.008 . 3 . . . . 51 TYR QE . 16672 1 328 . 1 1 51 51 TYR HE2 H 1 6.865 0.008 . 3 . . . . 51 TYR QE . 16672 1 329 . 1 1 51 51 TYR CA C 13 60.453 0.150 . 1 . . . . 51 TYR CA . 16672 1 330 . 1 1 51 51 TYR CB C 13 39.255 0.086 . 1 . . . . 51 TYR CB . 16672 1 331 . 1 1 51 51 TYR CD1 C 13 68.927 0.150 . 3 . . . . 51 TYR CD1 . 16672 1 332 . 1 1 51 51 TYR CE1 C 13 54.171 0.150 . 3 . . . . 51 TYR CE1 . 16672 1 333 . 1 1 51 51 TYR N N 15 118.612 0.118 . 1 . . . . 51 TYR N . 16672 1 334 . 1 1 52 52 LEU H H 1 8.201 0.027 . 1 . . . . 52 LEU H . 16672 1 335 . 1 1 52 52 LEU HA H 1 4.472 0.012 . 1 . . . . 52 LEU HA . 16672 1 336 . 1 1 52 52 LEU HB2 H 1 1.874 0.010 . 2 . . . . 52 LEU HB2 . 16672 1 337 . 1 1 52 52 LEU HD11 H 1 0.949 0.010 . 2 . . . . 52 LEU QD1 . 16672 1 338 . 1 1 52 52 LEU HD12 H 1 0.949 0.010 . 2 . . . . 52 LEU QD1 . 16672 1 339 . 1 1 52 52 LEU HD13 H 1 0.949 0.010 . 2 . . . . 52 LEU QD1 . 16672 1 340 . 1 1 52 52 LEU CA C 13 56.906 0.150 . 1 . . . . 52 LEU CA . 16672 1 341 . 1 1 52 52 LEU N N 15 119.465 0.200 . 1 . . . . 52 LEU N . 16672 1 342 . 1 1 53 53 PRO HA H 1 4.437 0.010 . 1 . . . . 53 PRO HA . 16672 1 343 . 1 1 53 53 PRO HB2 H 1 2.284 0.002 . 2 . . . . 53 PRO HB2 . 16672 1 344 . 1 1 53 53 PRO HD2 H 1 3.860 0.002 . 2 . . . . 53 PRO HD2 . 16672 1 345 . 1 1 53 53 PRO HD3 H 1 3.536 0.007 . 2 . . . . 53 PRO HD3 . 16672 1 346 . 1 1 53 53 PRO HG2 H 1 2.106 0.003 . 2 . . . . 53 PRO HG2 . 16672 1 347 . 1 1 53 53 PRO CA C 13 64.568 0.150 . 1 . . . . 53 PRO CA . 16672 1 348 . 1 1 53 53 PRO CB C 13 31.519 0.150 . 1 . . . . 53 PRO CB . 16672 1 349 . 1 1 53 53 PRO CD C 13 50.356 0.057 . 1 . . . . 53 PRO CD . 16672 1 350 . 1 1 53 53 PRO CG C 13 27.145 0.014 . 1 . . . . 53 PRO CG . 16672 1 351 . 1 1 54 54 SER H H 1 7.773 0.028 . 1 . . . . 54 SER H . 16672 1 352 . 1 1 54 54 SER HA H 1 4.405 0.013 . 1 . . . . 54 SER HA . 16672 1 353 . 1 1 54 54 SER HB2 H 1 3.977 0.010 . 2 . . . . 54 SER HB2 . 16672 1 354 . 1 1 54 54 SER CA C 13 59.788 0.150 . 1 . . . . 54 SER CA . 16672 1 355 . 1 1 54 54 SER CB C 13 63.557 0.150 . 1 . . . . 54 SER CB . 16672 1 356 . 1 1 54 54 SER N N 15 113.970 0.131 . 1 . . . . 54 SER N . 16672 1 357 . 1 1 55 55 ASP H H 1 8.305 0.012 . 1 . . . . 55 ASP H . 16672 1 358 . 1 1 55 55 ASP HA H 1 4.691 0.010 . 1 . . . . 55 ASP HA . 16672 1 359 . 1 1 55 55 ASP HB2 H 1 2.801 0.006 . 2 . . . . 55 ASP HB2 . 16672 1 360 . 1 1 55 55 ASP CA C 13 55.047 0.160 . 1 . . . . 55 ASP CA . 16672 1 361 . 1 1 55 55 ASP CB C 13 40.808 0.056 . 1 . . . . 55 ASP CB . 16672 1 362 . 1 1 55 55 ASP N N 15 121.325 0.138 . 1 . . . . 55 ASP N . 16672 1 363 . 1 1 56 56 CYS H H 1 8.200 0.006 . 1 . . . . 56 CYS H . 16672 1 364 . 1 1 56 56 CYS HA H 1 4.324 0.009 . 1 . . . . 56 CYS HA . 16672 1 365 . 1 1 56 56 CYS HB2 H 1 3.090 0.005 . 2 . . . . 56 CYS HB2 . 16672 1 366 . 1 1 56 56 CYS HB3 H 1 3.042 0.010 . 2 . . . . 56 CYS HB3 . 16672 1 367 . 1 1 56 56 CYS CA C 13 61.204 0.150 . 1 . . . . 56 CYS CA . 16672 1 368 . 1 1 56 56 CYS CB C 13 27.067 0.032 . 1 . . . . 56 CYS CB . 16672 1 369 . 1 1 56 56 CYS N N 15 117.292 0.080 . 1 . . . . 56 CYS N . 16672 1 370 . 1 1 57 57 GLY H H 1 8.449 0.017 . 1 . . . . 57 GLY H . 16672 1 371 . 1 1 57 57 GLY HA2 H 1 3.950 0.013 . 2 . . . . 57 GLY HA2 . 16672 1 372 . 1 1 57 57 GLY CA C 13 46.632 0.150 . 1 . . . . 57 GLY CA . 16672 1 373 . 1 1 57 57 GLY N N 15 108.260 8.142 . 1 . . . . 57 GLY N . 16672 1 374 . 1 1 58 58 GLU H H 1 8.492 0.008 . 1 . . . . 58 GLU H . 16672 1 375 . 1 1 58 58 GLU HA H 1 4.119 0.011 . 1 . . . . 58 GLU HA . 16672 1 376 . 1 1 58 58 GLU HB2 H 1 2.217 0.017 . 2 . . . . 58 GLU HB2 . 16672 1 377 . 1 1 58 58 GLU HG2 H 1 2.471 0.011 . 2 . . . . 58 GLU QG . 16672 1 378 . 1 1 58 58 GLU HG3 H 1 2.471 0.011 . 2 . . . . 58 GLU QG . 16672 1 379 . 1 1 58 58 GLU CA C 13 59.664 0.008 . 1 . . . . 58 GLU CA . 16672 1 380 . 1 1 58 58 GLU CB C 13 28.559 0.150 . 1 . . . . 58 GLU CB . 16672 1 381 . 1 1 58 58 GLU CG C 13 33.833 0.150 . 1 . . . . 58 GLU CG . 16672 1 382 . 1 1 58 58 GLU N N 15 122.659 0.082 . 1 . . . . 58 GLU N . 16672 1 383 . 1 1 59 59 LYS H H 1 7.891 0.005 . 1 . . . . 59 LYS H . 16672 1 384 . 1 1 59 59 LYS HA H 1 4.128 0.010 . 1 . . . . 59 LYS HA . 16672 1 385 . 1 1 59 59 LYS HB2 H 1 1.945 0.015 . 2 . . . . 59 LYS HB2 . 16672 1 386 . 1 1 59 59 LYS HE2 H 1 2.974 0.009 . 2 . . . . 59 LYS QE . 16672 1 387 . 1 1 59 59 LYS HE3 H 1 2.974 0.009 . 2 . . . . 59 LYS QE . 16672 1 388 . 1 1 59 59 LYS HG2 H 1 1.347 0.012 . 2 . . . . 59 LYS HG2 . 16672 1 389 . 1 1 59 59 LYS CA C 13 59.836 0.150 . 1 . . . . 59 LYS CA . 16672 1 390 . 1 1 59 59 LYS CB C 13 31.259 0.017 . 1 . . . . 59 LYS CB . 16672 1 391 . 1 1 59 59 LYS CE C 13 42.382 0.008 . 1 . . . . 59 LYS CE . 16672 1 392 . 1 1 59 59 LYS CG C 13 25.104 0.150 . 1 . . . . 59 LYS CG . 16672 1 393 . 1 1 59 59 LYS N N 15 118.448 0.121 . 1 . . . . 59 LYS N . 16672 1 394 . 1 1 60 60 MET H H 1 8.355 0.021 . 1 . . . . 60 MET H . 16672 1 395 . 1 1 60 60 MET HA H 1 4.320 0.006 . 1 . . . . 60 MET HA . 16672 1 396 . 1 1 60 60 MET HB2 H 1 2.234 0.009 . 2 . . . . 60 MET HB2 . 16672 1 397 . 1 1 60 60 MET HE1 H 1 2.087 0.007 . 1 . . . . 60 MET QE . 16672 1 398 . 1 1 60 60 MET HE2 H 1 2.087 0.007 . 1 . . . . 60 MET QE . 16672 1 399 . 1 1 60 60 MET HE3 H 1 2.087 0.007 . 1 . . . . 60 MET QE . 16672 1 400 . 1 1 60 60 MET HG2 H 1 2.741 0.007 . 2 . . . . 60 MET HG2 . 16672 1 401 . 1 1 60 60 MET HG3 H 1 2.648 0.010 . 2 . . . . 60 MET HG3 . 16672 1 402 . 1 1 60 60 MET CA C 13 58.683 0.039 . 1 . . . . 60 MET CA . 16672 1 403 . 1 1 60 60 MET CB C 13 32.056 0.150 . 1 . . . . 60 MET CB . 16672 1 404 . 1 1 60 60 MET CE C 13 16.046 0.080 . 1 . . . . 60 MET CE . 16672 1 405 . 1 1 60 60 MET CG C 13 32.154 0.026 . 1 . . . . 60 MET CG . 16672 1 406 . 1 1 60 60 MET N N 15 117.834 0.049 . 1 . . . . 60 MET N . 16672 1 407 . 1 1 61 61 THR H H 1 7.941 0.008 . 1 . . . . 61 THR H . 16672 1 408 . 1 1 61 61 THR HA H 1 3.981 0.007 . 1 . . . . 61 THR HA . 16672 1 409 . 1 1 61 61 THR HG21 H 1 1.322 0.007 . 1 . . . . 61 THR QG2 . 16672 1 410 . 1 1 61 61 THR HG22 H 1 1.322 0.007 . 1 . . . . 61 THR QG2 . 16672 1 411 . 1 1 61 61 THR HG23 H 1 1.322 0.007 . 1 . . . . 61 THR QG2 . 16672 1 412 . 1 1 61 61 THR CA C 13 66.623 0.150 . 1 . . . . 61 THR CA . 16672 1 413 . 1 1 61 61 THR CG2 C 13 20.658 0.150 . 1 . . . . 61 THR CG2 . 16672 1 414 . 1 1 61 61 THR N N 15 112.903 0.068 . 1 . . . . 61 THR N . 16672 1 415 . 1 1 62 62 LEU H H 1 7.932 0.013 . 1 . . . . 62 LEU H . 16672 1 416 . 1 1 62 62 LEU HA H 1 4.410 0.003 . 1 . . . . 62 LEU HA . 16672 1 417 . 1 1 62 62 LEU HB2 H 1 1.888 0.011 . 2 . . . . 62 LEU HB2 . 16672 1 418 . 1 1 62 62 LEU HB3 H 1 1.754 0.012 . 2 . . . . 62 LEU HB3 . 16672 1 419 . 1 1 62 62 LEU HD11 H 1 0.948 0.001 . 2 . . . . 62 LEU QD1 . 16672 1 420 . 1 1 62 62 LEU HD12 H 1 0.948 0.001 . 2 . . . . 62 LEU QD1 . 16672 1 421 . 1 1 62 62 LEU HD13 H 1 0.948 0.001 . 2 . . . . 62 LEU QD1 . 16672 1 422 . 1 1 62 62 LEU HG H 1 1.760 0.010 . 1 . . . . 62 LEU HG . 16672 1 423 . 1 1 62 62 LEU CA C 13 56.825 0.001 . 1 . . . . 62 LEU CA . 16672 1 424 . 1 1 62 62 LEU CB C 13 42.521 0.008 . 1 . . . . 62 LEU CB . 16672 1 425 . 1 1 62 62 LEU N N 15 124.135 0.173 . 1 . . . . 62 LEU N . 16672 1 426 . 1 1 63 63 CYS H H 1 8.103 0.010 . 1 . . . . 63 CYS H . 16672 1 427 . 1 1 63 63 CYS HA H 1 4.127 0.005 . 1 . . . . 63 CYS HA . 16672 1 428 . 1 1 63 63 CYS HB2 H 1 3.183 0.013 . 2 . . . . 63 CYS HB2 . 16672 1 429 . 1 1 63 63 CYS HB3 H 1 2.983 0.008 . 2 . . . . 63 CYS HB3 . 16672 1 430 . 1 1 63 63 CYS CA C 13 63.471 0.150 . 1 . . . . 63 CYS CA . 16672 1 431 . 1 1 63 63 CYS CB C 13 26.532 0.033 . 1 . . . . 63 CYS CB . 16672 1 432 . 1 1 63 63 CYS N N 15 116.825 0.030 . 1 . . . . 63 CYS N . 16672 1 433 . 1 1 64 64 ILE H H 1 8.372 0.016 . 1 . . . . 64 ILE H . 16672 1 434 . 1 1 64 64 ILE HA H 1 3.891 0.010 . 1 . . . . 64 ILE HA . 16672 1 435 . 1 1 64 64 ILE HB H 1 1.999 0.005 . 1 . . . . 64 ILE HB . 16672 1 436 . 1 1 64 64 ILE HD11 H 1 0.903 0.006 . 1 . . . . 64 ILE QD1 . 16672 1 437 . 1 1 64 64 ILE HD12 H 1 0.903 0.006 . 1 . . . . 64 ILE QD1 . 16672 1 438 . 1 1 64 64 ILE HD13 H 1 0.903 0.006 . 1 . . . . 64 ILE QD1 . 16672 1 439 . 1 1 64 64 ILE HG21 H 1 1.024 0.010 . 1 . . . . 64 ILE QG2 . 16672 1 440 . 1 1 64 64 ILE HG22 H 1 1.024 0.010 . 1 . . . . 64 ILE QG2 . 16672 1 441 . 1 1 64 64 ILE HG23 H 1 1.024 0.010 . 1 . . . . 64 ILE QG2 . 16672 1 442 . 1 1 64 64 ILE CA C 13 64.943 0.018 . 1 . . . . 64 ILE CA . 16672 1 443 . 1 1 64 64 ILE CB C 13 37.854 0.018 . 1 . . . . 64 ILE CB . 16672 1 444 . 1 1 64 64 ILE CD1 C 13 11.824 0.213 . 1 . . . . 64 ILE CD1 . 16672 1 445 . 1 1 64 64 ILE CG2 C 13 16.642 0.016 . 1 . . . . 64 ILE CG2 . 16672 1 446 . 1 1 64 64 ILE N N 15 118.345 0.024 . 1 . . . . 64 ILE N . 16672 1 447 . 1 1 65 65 SER H H 1 7.987 0.017 . 1 . . . . 65 SER H . 16672 1 448 . 1 1 65 65 SER HA H 1 4.297 0.010 . 1 . . . . 65 SER HA . 16672 1 449 . 1 1 65 65 SER HB3 H 1 4.032 0.010 . 2 . . . . 65 SER HB3 . 16672 1 450 . 1 1 65 65 SER CA C 13 62.636 0.150 . 1 . . . . 65 SER CA . 16672 1 451 . 1 1 65 65 SER CB C 13 62.831 0.150 . 1 . . . . 65 SER CB . 16672 1 452 . 1 1 65 65 SER N N 15 115.047 0.058 . 1 . . . . 65 SER N . 16672 1 453 . 1 1 66 66 VAL H H 1 7.971 0.013 . 1 . . . . 66 VAL H . 16672 1 454 . 1 1 66 66 VAL HA H 1 3.823 0.014 . 1 . . . . 66 VAL HA . 16672 1 455 . 1 1 66 66 VAL HB H 1 2.278 0.010 . 1 . . . . 66 VAL HB . 16672 1 456 . 1 1 66 66 VAL HG11 H 1 1.099 0.016 . 2 . . . . 66 VAL QG1 . 16672 1 457 . 1 1 66 66 VAL HG12 H 1 1.099 0.016 . 2 . . . . 66 VAL QG1 . 16672 1 458 . 1 1 66 66 VAL HG13 H 1 1.099 0.016 . 2 . . . . 66 VAL QG1 . 16672 1 459 . 1 1 66 66 VAL HG21 H 1 0.998 0.002 . 2 . . . . 66 VAL QG2 . 16672 1 460 . 1 1 66 66 VAL HG22 H 1 0.998 0.002 . 2 . . . . 66 VAL QG2 . 16672 1 461 . 1 1 66 66 VAL HG23 H 1 0.998 0.002 . 2 . . . . 66 VAL QG2 . 16672 1 462 . 1 1 66 66 VAL CA C 13 66.718 0.150 . 1 . . . . 66 VAL CA . 16672 1 463 . 1 1 66 66 VAL CB C 13 31.771 0.150 . 1 . . . . 66 VAL CB . 16672 1 464 . 1 1 66 66 VAL CG1 C 13 21.622 0.117 . 2 . . . . 66 VAL CG1 . 16672 1 465 . 1 1 66 66 VAL CG2 C 13 20.411 0.134 . 2 . . . . 66 VAL CG2 . 16672 1 466 . 1 1 66 66 VAL N N 15 123.516 0.064 . 1 . . . . 66 VAL N . 16672 1 467 . 1 1 67 67 LEU H H 1 8.061 0.018 . 1 . . . . 67 LEU H . 16672 1 468 . 1 1 67 67 LEU HA H 1 4.137 0.004 . 1 . . . . 67 LEU HA . 16672 1 469 . 1 1 67 67 LEU HB3 H 1 1.661 0.003 . 2 . . . . 67 LEU HB3 . 16672 1 470 . 1 1 67 67 LEU HD11 H 1 0.950 0.010 . 2 . . . . 67 LEU QD1 . 16672 1 471 . 1 1 67 67 LEU HD12 H 1 0.950 0.010 . 2 . . . . 67 LEU QD1 . 16672 1 472 . 1 1 67 67 LEU HD13 H 1 0.950 0.010 . 2 . . . . 67 LEU QD1 . 16672 1 473 . 1 1 67 67 LEU CA C 13 58.412 0.150 . 1 . . . . 67 LEU CA . 16672 1 474 . 1 1 67 67 LEU CB C 13 42.165 0.150 . 1 . . . . 67 LEU CB . 16672 1 475 . 1 1 67 67 LEU N N 15 119.927 0.023 . 1 . . . . 67 LEU N . 16672 1 476 . 1 1 68 68 LEU H H 1 8.848 0.012 . 1 . . . . 68 LEU H . 16672 1 477 . 1 1 68 68 LEU HA H 1 4.202 0.013 . 1 . . . . 68 LEU HA . 16672 1 478 . 1 1 68 68 LEU HB2 H 1 1.900 0.011 . 2 . . . . 68 LEU HB2 . 16672 1 479 . 1 1 68 68 LEU HB3 H 1 1.700 0.012 . 2 . . . . 68 LEU HB3 . 16672 1 480 . 1 1 68 68 LEU HD11 H 1 0.940 0.010 . 2 . . . . 68 LEU QD1 . 16672 1 481 . 1 1 68 68 LEU HD12 H 1 0.940 0.010 . 2 . . . . 68 LEU QD1 . 16672 1 482 . 1 1 68 68 LEU HD13 H 1 0.940 0.010 . 2 . . . . 68 LEU QD1 . 16672 1 483 . 1 1 68 68 LEU HD21 H 1 0.930 0.004 . 2 . . . . 68 LEU QD2 . 16672 1 484 . 1 1 68 68 LEU HD22 H 1 0.930 0.004 . 2 . . . . 68 LEU QD2 . 16672 1 485 . 1 1 68 68 LEU HD23 H 1 0.930 0.004 . 2 . . . . 68 LEU QD2 . 16672 1 486 . 1 1 68 68 LEU HG H 1 1.845 0.001 . 1 . . . . 68 LEU HG . 16672 1 487 . 1 1 68 68 LEU CA C 13 58.863 0.000 . 1 . . . . 68 LEU CA . 16672 1 488 . 1 1 68 68 LEU CB C 13 41.890 0.037 . 1 . . . . 68 LEU CB . 16672 1 489 . 1 1 68 68 LEU CD1 C 13 23.964 0.079 . 2 . . . . 68 LEU CD1 . 16672 1 490 . 1 1 68 68 LEU CD2 C 13 23.096 0.058 . 2 . . . . 68 LEU CD2 . 16672 1 491 . 1 1 68 68 LEU CG C 13 26.859 0.021 . 1 . . . . 68 LEU CG . 16672 1 492 . 1 1 68 68 LEU N N 15 122.139 0.083 . 1 . . . . 68 LEU N . 16672 1 493 . 1 1 69 69 ALA H H 1 7.852 0.007 . 1 . . . . 69 ALA H . 16672 1 494 . 1 1 69 69 ALA HA H 1 4.117 0.008 . 1 . . . . 69 ALA HA . 16672 1 495 . 1 1 69 69 ALA HB1 H 1 1.620 0.008 . 1 . . . . 69 ALA QB . 16672 1 496 . 1 1 69 69 ALA HB2 H 1 1.620 0.008 . 1 . . . . 69 ALA QB . 16672 1 497 . 1 1 69 69 ALA HB3 H 1 1.620 0.008 . 1 . . . . 69 ALA QB . 16672 1 498 . 1 1 69 69 ALA CA C 13 55.607 0.049 . 1 . . . . 69 ALA CA . 16672 1 499 . 1 1 69 69 ALA CB C 13 17.411 0.044 . 1 . . . . 69 ALA CB . 16672 1 500 . 1 1 69 69 ALA N N 15 121.739 0.022 . 1 . . . . 69 ALA N . 16672 1 501 . 1 1 70 70 LEU H H 1 8.709 0.014 . 1 . . . . 70 LEU H . 16672 1 502 . 1 1 70 70 LEU HA H 1 4.258 0.010 . 1 . . . . 70 LEU HA . 16672 1 503 . 1 1 70 70 LEU HB2 H 1 1.890 0.015 . 2 . . . . 70 LEU HB2 . 16672 1 504 . 1 1 70 70 LEU HB3 H 1 1.660 0.006 . 2 . . . . 70 LEU HB3 . 16672 1 505 . 1 1 70 70 LEU HD11 H 1 0.982 0.006 . 2 . . . . 70 LEU QD1 . 16672 1 506 . 1 1 70 70 LEU HD12 H 1 0.982 0.006 . 2 . . . . 70 LEU QD1 . 16672 1 507 . 1 1 70 70 LEU HD13 H 1 0.982 0.006 . 2 . . . . 70 LEU QD1 . 16672 1 508 . 1 1 70 70 LEU HG H 1 1.893 0.010 . 1 . . . . 70 LEU HG . 16672 1 509 . 1 1 70 70 LEU CA C 13 58.069 0.026 . 1 . . . . 70 LEU CA . 16672 1 510 . 1 1 70 70 LEU CB C 13 41.958 0.029 . 1 . . . . 70 LEU CB . 16672 1 511 . 1 1 70 70 LEU CD1 C 13 23.751 0.290 . 2 . . . . 70 LEU CD1 . 16672 1 512 . 1 1 70 70 LEU CG C 13 26.906 0.150 . 1 . . . . 70 LEU CG . 16672 1 513 . 1 1 70 70 LEU N N 15 118.662 0.038 . 1 . . . . 70 LEU N . 16672 1 514 . 1 1 71 71 THR H H 1 8.165 0.008 . 1 . . . . 71 THR H . 16672 1 515 . 1 1 71 71 THR HA H 1 3.956 0.005 . 1 . . . . 71 THR HA . 16672 1 516 . 1 1 71 71 THR HB H 1 4.156 0.009 . 1 . . . . 71 THR HB . 16672 1 517 . 1 1 71 71 THR HG21 H 1 1.320 0.005 . 1 . . . . 71 THR QG2 . 16672 1 518 . 1 1 71 71 THR HG22 H 1 1.320 0.005 . 1 . . . . 71 THR QG2 . 16672 1 519 . 1 1 71 71 THR HG23 H 1 1.320 0.005 . 1 . . . . 71 THR QG2 . 16672 1 520 . 1 1 71 71 THR CA C 13 67.730 0.150 . 1 . . . . 71 THR CA . 16672 1 521 . 1 1 71 71 THR CB C 13 68.189 0.150 . 1 . . . . 71 THR CB . 16672 1 522 . 1 1 71 71 THR CG2 C 13 20.004 0.063 . 1 . . . . 71 THR CG2 . 16672 1 523 . 1 1 71 71 THR N N 15 115.232 0.073 . 1 . . . . 71 THR N . 16672 1 524 . 1 1 72 72 VAL H H 1 8.372 0.020 . 1 . . . . 72 VAL H . 16672 1 525 . 1 1 72 72 VAL HA H 1 3.700 0.007 . 1 . . . . 72 VAL HA . 16672 1 526 . 1 1 72 72 VAL HB H 1 2.251 0.011 . 1 . . . . 72 VAL HB . 16672 1 527 . 1 1 72 72 VAL HG11 H 1 1.135 0.016 . 2 . . . . 72 VAL QG1 . 16672 1 528 . 1 1 72 72 VAL HG12 H 1 1.135 0.016 . 2 . . . . 72 VAL QG1 . 16672 1 529 . 1 1 72 72 VAL HG13 H 1 1.135 0.016 . 2 . . . . 72 VAL QG1 . 16672 1 530 . 1 1 72 72 VAL HG21 H 1 1.050 0.005 . 2 . . . . 72 VAL QG2 . 16672 1 531 . 1 1 72 72 VAL HG22 H 1 1.050 0.005 . 2 . . . . 72 VAL QG2 . 16672 1 532 . 1 1 72 72 VAL HG23 H 1 1.050 0.005 . 2 . . . . 72 VAL QG2 . 16672 1 533 . 1 1 72 72 VAL CA C 13 67.307 0.150 . 1 . . . . 72 VAL CA . 16672 1 534 . 1 1 72 72 VAL CB C 13 31.731 0.150 . 1 . . . . 72 VAL CB . 16672 1 535 . 1 1 72 72 VAL CG1 C 13 22.168 0.150 . 2 . . . . 72 VAL CG1 . 16672 1 536 . 1 1 72 72 VAL CG2 C 13 20.581 0.075 . 2 . . . . 72 VAL CG2 . 16672 1 537 . 1 1 72 72 VAL N N 15 120.910 0.039 . 1 . . . . 72 VAL N . 16672 1 538 . 1 1 73 73 PHE H H 1 8.190 0.014 . 1 . . . . 73 PHE H . 16672 1 539 . 1 1 73 73 PHE HA H 1 4.334 0.011 . 1 . . . . 73 PHE HA . 16672 1 540 . 1 1 73 73 PHE HB2 H 1 3.397 0.007 . 2 . . . . 73 PHE HB2 . 16672 1 541 . 1 1 73 73 PHE HD1 H 1 7.230 0.011 . 3 . . . . 73 PHE QD . 16672 1 542 . 1 1 73 73 PHE HD2 H 1 7.230 0.011 . 3 . . . . 73 PHE QD . 16672 1 543 . 1 1 73 73 PHE HE1 H 1 7.267 0.009 . 3 . . . . 73 PHE QE . 16672 1 544 . 1 1 73 73 PHE HE2 H 1 7.267 0.009 . 3 . . . . 73 PHE QE . 16672 1 545 . 1 1 73 73 PHE CA C 13 61.851 0.120 . 1 . . . . 73 PHE CA . 16672 1 546 . 1 1 73 73 PHE CB C 13 39.092 0.075 . 1 . . . . 73 PHE CB . 16672 1 547 . 1 1 73 73 PHE CD1 C 13 65.793 0.150 . 3 . . . . 73 PHE CD1 . 16672 1 548 . 1 1 73 73 PHE N N 15 120.413 0.081 . 1 . . . . 73 PHE N . 16672 1 549 . 1 1 74 74 LEU H H 1 8.678 0.015 . 1 . . . . 74 LEU H . 16672 1 550 . 1 1 74 74 LEU HA H 1 3.980 0.013 . 1 . . . . 74 LEU HA . 16672 1 551 . 1 1 74 74 LEU HB2 H 1 2.060 0.011 . 2 . . . . 74 LEU HB2 . 16672 1 552 . 1 1 74 74 LEU HB3 H 1 1.553 0.011 . 2 . . . . 74 LEU HB3 . 16672 1 553 . 1 1 74 74 LEU HD11 H 1 0.979 0.011 . 2 . . . . 74 LEU QD1 . 16672 1 554 . 1 1 74 74 LEU HD12 H 1 0.979 0.011 . 2 . . . . 74 LEU QD1 . 16672 1 555 . 1 1 74 74 LEU HD13 H 1 0.979 0.011 . 2 . . . . 74 LEU QD1 . 16672 1 556 . 1 1 74 74 LEU HD21 H 1 0.979 0.005 . 2 . . . . 74 LEU QD2 . 16672 1 557 . 1 1 74 74 LEU HD22 H 1 0.979 0.005 . 2 . . . . 74 LEU QD2 . 16672 1 558 . 1 1 74 74 LEU HD23 H 1 0.979 0.005 . 2 . . . . 74 LEU QD2 . 16672 1 559 . 1 1 74 74 LEU HG H 1 2.053 0.010 . 1 . . . . 74 LEU HG . 16672 1 560 . 1 1 74 74 LEU CA C 13 58.131 0.150 . 1 . . . . 74 LEU CA . 16672 1 561 . 1 1 74 74 LEU CB C 13 41.838 0.027 . 1 . . . . 74 LEU CB . 16672 1 562 . 1 1 74 74 LEU CD1 C 13 22.472 0.102 . 2 . . . . 74 LEU CD1 . 16672 1 563 . 1 1 74 74 LEU CD2 C 13 21.510 0.092 . 2 . . . . 74 LEU CD2 . 16672 1 564 . 1 1 74 74 LEU CG C 13 27.067 0.056 . 1 . . . . 74 LEU CG . 16672 1 565 . 1 1 74 74 LEU N N 15 118.910 0.056 . 1 . . . . 74 LEU N . 16672 1 566 . 1 1 75 75 LEU H H 1 8.492 0.012 . 1 . . . . 75 LEU H . 16672 1 567 . 1 1 75 75 LEU HA H 1 4.129 0.004 . 1 . . . . 75 LEU HA . 16672 1 568 . 1 1 75 75 LEU HB2 H 1 1.892 0.010 . 2 . . . . 75 LEU HB2 . 16672 1 569 . 1 1 75 75 LEU HD11 H 1 0.917 0.004 . 2 . . . . 75 LEU QD1 . 16672 1 570 . 1 1 75 75 LEU HD12 H 1 0.917 0.004 . 2 . . . . 75 LEU QD1 . 16672 1 571 . 1 1 75 75 LEU HD13 H 1 0.917 0.004 . 2 . . . . 75 LEU QD1 . 16672 1 572 . 1 1 75 75 LEU HD21 H 1 0.897 0.003 . 2 . . . . 75 LEU QD2 . 16672 1 573 . 1 1 75 75 LEU HD22 H 1 0.897 0.003 . 2 . . . . 75 LEU QD2 . 16672 1 574 . 1 1 75 75 LEU HD23 H 1 0.897 0.003 . 2 . . . . 75 LEU QD2 . 16672 1 575 . 1 1 75 75 LEU HG H 1 1.890 0.004 . 1 . . . . 75 LEU HG . 16672 1 576 . 1 1 75 75 LEU CA C 13 58.013 0.150 . 1 . . . . 75 LEU CA . 16672 1 577 . 1 1 75 75 LEU CB C 13 41.857 0.150 . 1 . . . . 75 LEU CB . 16672 1 578 . 1 1 75 75 LEU CD1 C 13 24.102 0.202 . 2 . . . . 75 LEU CD1 . 16672 1 579 . 1 1 75 75 LEU CD2 C 13 22.612 0.072 . 2 . . . . 75 LEU CD2 . 16672 1 580 . 1 1 75 75 LEU CG C 13 26.945 0.051 . 1 . . . . 75 LEU CG . 16672 1 581 . 1 1 75 75 LEU N N 15 119.143 0.093 . 1 . . . . 75 LEU N . 16672 1 582 . 1 1 76 76 LEU H H 1 8.217 0.012 . 1 . . . . 76 LEU H . 16672 1 583 . 1 1 76 76 LEU HA H 1 4.425 0.012 . 1 . . . . 76 LEU HA . 16672 1 584 . 1 1 76 76 LEU HB2 H 1 1.888 0.003 . 2 . . . . 76 LEU HB2 . 16672 1 585 . 1 1 76 76 LEU HB3 H 1 1.718 0.009 . 2 . . . . 76 LEU HB3 . 16672 1 586 . 1 1 76 76 LEU HD11 H 1 0.930 0.016 . 2 . . . . 76 LEU QD1 . 16672 1 587 . 1 1 76 76 LEU HD12 H 1 0.930 0.016 . 2 . . . . 76 LEU QD1 . 16672 1 588 . 1 1 76 76 LEU HD13 H 1 0.930 0.016 . 2 . . . . 76 LEU QD1 . 16672 1 589 . 1 1 76 76 LEU HG H 1 1.724 0.007 . 1 . . . . 76 LEU HG . 16672 1 590 . 1 1 76 76 LEU CA C 13 57.756 0.150 . 1 . . . . 76 LEU CA . 16672 1 591 . 1 1 76 76 LEU CB C 13 42.926 0.024 . 1 . . . . 76 LEU CB . 16672 1 592 . 1 1 76 76 LEU CD1 C 13 23.864 0.224 . 2 . . . . 76 LEU CD1 . 16672 1 593 . 1 1 76 76 LEU CG C 13 27.060 0.052 . 1 . . . . 76 LEU CG . 16672 1 594 . 1 1 76 76 LEU N N 15 119.625 0.098 . 1 . . . . 76 LEU N . 16672 1 595 . 1 1 77 77 ILE H H 1 8.369 0.011 . 1 . . . . 77 ILE H . 16672 1 596 . 1 1 77 77 ILE HA H 1 3.874 0.007 . 1 . . . . 77 ILE HA . 16672 1 597 . 1 1 77 77 ILE HB H 1 1.895 0.007 . 1 . . . . 77 ILE HB . 16672 1 598 . 1 1 77 77 ILE HD11 H 1 0.803 0.004 . 1 . . . . 77 ILE QD1 . 16672 1 599 . 1 1 77 77 ILE HD12 H 1 0.803 0.004 . 1 . . . . 77 ILE QD1 . 16672 1 600 . 1 1 77 77 ILE HD13 H 1 0.803 0.004 . 1 . . . . 77 ILE QD1 . 16672 1 601 . 1 1 77 77 ILE HG12 H 1 1.449 0.006 . 2 . . . . 77 ILE HG12 . 16672 1 602 . 1 1 77 77 ILE HG13 H 1 1.281 0.009 . 2 . . . . 77 ILE HG13 . 16672 1 603 . 1 1 77 77 ILE HG21 H 1 0.875 0.005 . 1 . . . . 77 ILE QG2 . 16672 1 604 . 1 1 77 77 ILE HG22 H 1 0.875 0.005 . 1 . . . . 77 ILE QG2 . 16672 1 605 . 1 1 77 77 ILE HG23 H 1 0.875 0.005 . 1 . . . . 77 ILE QG2 . 16672 1 606 . 1 1 77 77 ILE CA C 13 64.344 0.059 . 1 . . . . 77 ILE CA . 16672 1 607 . 1 1 77 77 ILE CB C 13 37.445 0.008 . 1 . . . . 77 ILE CB . 16672 1 608 . 1 1 77 77 ILE CD1 C 13 11.295 0.091 . 1 . . . . 77 ILE CD1 . 16672 1 609 . 1 1 77 77 ILE CG1 C 13 27.876 0.076 . 1 . . . . 77 ILE CG1 . 16672 1 610 . 1 1 77 77 ILE CG2 C 13 17.155 0.107 . 1 . . . . 77 ILE CG2 . 16672 1 611 . 1 1 77 77 ILE N N 15 118.381 0.048 . 1 . . . . 77 ILE N . 16672 1 612 . 1 1 78 78 SER H H 1 8.169 0.016 . 1 . . . . 78 SER H . 16672 1 613 . 1 1 78 78 SER HA H 1 4.102 0.008 . 1 . . . . 78 SER HA . 16672 1 614 . 1 1 78 78 SER HB2 H 1 3.899 0.011 . 2 . . . . 78 SER HB2 . 16672 1 615 . 1 1 78 78 SER CA C 13 60.740 0.030 . 1 . . . . 78 SER CA . 16672 1 616 . 1 1 78 78 SER CB C 13 63.939 0.150 . 1 . . . . 78 SER CB . 16672 1 617 . 1 1 78 78 SER N N 15 113.122 0.077 . 1 . . . . 78 SER N . 16672 1 618 . 1 1 79 79 LYS H H 1 7.568 0.008 . 1 . . . . 79 LYS H . 16672 1 619 . 1 1 79 79 LYS HA H 1 4.387 0.006 . 1 . . . . 79 LYS HA . 16672 1 620 . 1 1 79 79 LYS HB2 H 1 2.001 0.014 . 2 . . . . 79 LYS HB2 . 16672 1 621 . 1 1 79 79 LYS HD2 H 1 1.751 0.010 . 2 . . . . 79 LYS HD2 . 16672 1 622 . 1 1 79 79 LYS HE2 H 1 3.059 0.002 . 2 . . . . 79 LYS QE . 16672 1 623 . 1 1 79 79 LYS HE3 H 1 3.059 0.002 . 2 . . . . 79 LYS QE . 16672 1 624 . 1 1 79 79 LYS HG2 H 1 1.561 0.006 . 2 . . . . 79 LYS HG2 . 16672 1 625 . 1 1 79 79 LYS HG3 H 1 1.524 0.005 . 2 . . . . 79 LYS HG3 . 16672 1 626 . 1 1 79 79 LYS CA C 13 56.795 0.150 . 1 . . . . 79 LYS CA . 16672 1 627 . 1 1 79 79 LYS CB C 13 32.252 0.123 . 1 . . . . 79 LYS CB . 16672 1 628 . 1 1 79 79 LYS CD C 13 29.000 0.150 . 1 . . . . 79 LYS CD . 16672 1 629 . 1 1 79 79 LYS CE C 13 42.562 0.055 . 1 . . . . 79 LYS CE . 16672 1 630 . 1 1 79 79 LYS CG C 13 24.779 0.121 . 1 . . . . 79 LYS CG . 16672 1 631 . 1 1 79 79 LYS N N 15 119.341 0.058 . 1 . . . . 79 LYS N . 16672 1 632 . 1 1 80 80 ILE H H 1 7.732 0.009 . 1 . . . . 80 ILE H . 16672 1 633 . 1 1 80 80 ILE HA H 1 4.196 0.007 . 1 . . . . 80 ILE HA . 16672 1 634 . 1 1 80 80 ILE HB H 1 2.000 0.006 . 1 . . . . 80 ILE HB . 16672 1 635 . 1 1 80 80 ILE HD11 H 1 0.918 0.013 . 1 . . . . 80 ILE QD1 . 16672 1 636 . 1 1 80 80 ILE HD12 H 1 0.918 0.013 . 1 . . . . 80 ILE QD1 . 16672 1 637 . 1 1 80 80 ILE HD13 H 1 0.918 0.013 . 1 . . . . 80 ILE QD1 . 16672 1 638 . 1 1 80 80 ILE HG12 H 1 1.618 0.007 . 2 . . . . 80 ILE HG12 . 16672 1 639 . 1 1 80 80 ILE HG13 H 1 1.269 0.009 . 2 . . . . 80 ILE HG13 . 16672 1 640 . 1 1 80 80 ILE HG21 H 1 0.955 0.008 . 1 . . . . 80 ILE QG2 . 16672 1 641 . 1 1 80 80 ILE HG22 H 1 0.955 0.008 . 1 . . . . 80 ILE QG2 . 16672 1 642 . 1 1 80 80 ILE HG23 H 1 0.955 0.008 . 1 . . . . 80 ILE QG2 . 16672 1 643 . 1 1 80 80 ILE CA C 13 62.512 0.150 . 1 . . . . 80 ILE CA . 16672 1 644 . 1 1 80 80 ILE CB C 13 39.263 0.001 . 1 . . . . 80 ILE CB . 16672 1 645 . 1 1 80 80 ILE CD1 C 13 11.386 0.150 . 1 . . . . 80 ILE CD1 . 16672 1 646 . 1 1 80 80 ILE CG1 C 13 27.377 0.049 . 1 . . . . 80 ILE CG1 . 16672 1 647 . 1 1 80 80 ILE CG2 C 13 16.643 0.057 . 1 . . . . 80 ILE CG2 . 16672 1 648 . 1 1 80 80 ILE N N 15 117.486 0.038 . 1 . . . . 80 ILE N . 16672 1 649 . 1 1 81 81 VAL H H 1 7.615 0.021 . 1 . . . . 81 VAL H . 16672 1 650 . 1 1 81 81 VAL HA H 1 4.411 0.005 . 1 . . . . 81 VAL HA . 16672 1 651 . 1 1 81 81 VAL HB H 1 2.159 0.007 . 1 . . . . 81 VAL HB . 16672 1 652 . 1 1 81 81 VAL HG11 H 1 1.011 0.011 . 2 . . . . 81 VAL QG1 . 16672 1 653 . 1 1 81 81 VAL HG12 H 1 1.011 0.011 . 2 . . . . 81 VAL QG1 . 16672 1 654 . 1 1 81 81 VAL HG13 H 1 1.011 0.011 . 2 . . . . 81 VAL QG1 . 16672 1 655 . 1 1 81 81 VAL CA C 13 60.582 0.150 . 1 . . . . 81 VAL CA . 16672 1 656 . 1 1 81 81 VAL CB C 13 32.171 0.018 . 1 . . . . 81 VAL CB . 16672 1 657 . 1 1 81 81 VAL CG1 C 13 20.478 0.065 . 2 . . . . 81 VAL CG1 . 16672 1 658 . 1 1 81 81 VAL N N 15 121.111 0.091 . 1 . . . . 81 VAL N . 16672 1 659 . 1 1 82 82 PRO HA H 1 4.722 0.004 . 1 . . . . 82 PRO HA . 16672 1 660 . 1 1 82 82 PRO HB2 H 1 2.383 0.012 . 2 . . . . 82 PRO HB2 . 16672 1 661 . 1 1 82 82 PRO HB3 H 1 2.000 0.011 . 2 . . . . 82 PRO HB3 . 16672 1 662 . 1 1 82 82 PRO HD2 H 1 3.981 0.005 . 2 . . . . 82 PRO HD2 . 16672 1 663 . 1 1 82 82 PRO HD3 H 1 3.665 0.006 . 2 . . . . 82 PRO HD3 . 16672 1 664 . 1 1 82 82 PRO HG2 H 1 2.139 0.008 . 2 . . . . 82 PRO HG2 . 16672 1 665 . 1 1 82 82 PRO CA C 13 62.159 0.070 . 1 . . . . 82 PRO CA . 16672 1 666 . 1 1 82 82 PRO CB C 13 30.582 0.026 . 1 . . . . 82 PRO CB . 16672 1 667 . 1 1 82 82 PRO CD C 13 50.463 0.101 . 1 . . . . 82 PRO CD . 16672 1 668 . 1 1 82 82 PRO CG C 13 27.280 0.150 . 1 . . . . 82 PRO CG . 16672 1 669 . 1 1 83 83 PRO HA H 1 4.525 0.001 . 1 . . . . 83 PRO HA . 16672 1 670 . 1 1 83 83 PRO HB2 H 1 2.349 0.009 . 2 . . . . 83 PRO HB2 . 16672 1 671 . 1 1 83 83 PRO HB3 H 1 2.064 0.007 . 2 . . . . 83 PRO HB3 . 16672 1 672 . 1 1 83 83 PRO HD2 H 1 3.868 0.006 . 2 . . . . 83 PRO HD2 . 16672 1 673 . 1 1 83 83 PRO HD3 H 1 3.695 0.012 . 2 . . . . 83 PRO HD3 . 16672 1 674 . 1 1 83 83 PRO HG2 H 1 2.075 0.017 . 2 . . . . 83 PRO HG2 . 16672 1 675 . 1 1 83 83 PRO CA C 13 64.337 0.150 . 1 . . . . 83 PRO CA . 16672 1 676 . 1 1 83 83 PRO CB C 13 31.070 0.016 . 1 . . . . 83 PRO CB . 16672 1 677 . 1 1 83 83 PRO CD C 13 50.302 0.042 . 1 . . . . 83 PRO CD . 16672 1 678 . 1 1 83 83 PRO CG C 13 27.103 0.150 . 1 . . . . 83 PRO CG . 16672 1 679 . 1 1 84 84 THR H H 1 7.450 0.007 . 1 . . . . 84 THR H . 16672 1 680 . 1 1 84 84 THR HA H 1 4.304 0.005 . 1 . . . . 84 THR HA . 16672 1 681 . 1 1 84 84 THR HB H 1 4.493 0.018 . 1 . . . . 84 THR HB . 16672 1 682 . 1 1 84 84 THR HG21 H 1 1.291 0.009 . 1 . . . . 84 THR QG2 . 16672 1 683 . 1 1 84 84 THR HG22 H 1 1.291 0.009 . 1 . . . . 84 THR QG2 . 16672 1 684 . 1 1 84 84 THR HG23 H 1 1.291 0.009 . 1 . . . . 84 THR QG2 . 16672 1 685 . 1 1 84 84 THR CA C 13 62.369 0.042 . 1 . . . . 84 THR CA . 16672 1 686 . 1 1 84 84 THR CB C 13 69.249 0.150 . 1 . . . . 84 THR CB . 16672 1 687 . 1 1 84 84 THR CG2 C 13 21.070 0.001 . 1 . . . . 84 THR CG2 . 16672 1 688 . 1 1 84 84 THR N N 15 120.545 7.727 . 1 . . . . 84 THR N . 16672 1 689 . 1 1 85 85 SER H H 1 7.934 0.010 . 1 . . . . 85 SER H . 16672 1 690 . 1 1 85 85 SER HA H 1 4.473 0.008 . 1 . . . . 85 SER HA . 16672 1 691 . 1 1 85 85 SER HB2 H 1 3.954 0.012 . 2 . . . . 85 SER HB2 . 16672 1 692 . 1 1 85 85 SER CA C 13 59.196 0.002 . 1 . . . . 85 SER CA . 16672 1 693 . 1 1 85 85 SER CB C 13 63.880 0.148 . 1 . . . . 85 SER CB . 16672 1 694 . 1 1 85 85 SER N N 15 115.830 0.266 . 1 . . . . 85 SER N . 16672 1 695 . 1 1 86 86 LEU H H 1 7.605 0.007 . 1 . . . . 86 LEU H . 16672 1 696 . 1 1 86 86 LEU HA H 1 4.375 0.004 . 1 . . . . 86 LEU HA . 16672 1 697 . 1 1 86 86 LEU HB2 H 1 1.691 0.014 . 2 . . . . 86 LEU HB2 . 16672 1 698 . 1 1 86 86 LEU HD11 H 1 0.923 0.018 . 2 . . . . 86 LEU QD1 . 16672 1 699 . 1 1 86 86 LEU HD12 H 1 0.923 0.018 . 2 . . . . 86 LEU QD1 . 16672 1 700 . 1 1 86 86 LEU HD13 H 1 0.923 0.018 . 2 . . . . 86 LEU QD1 . 16672 1 701 . 1 1 86 86 LEU CA C 13 55.828 0.150 . 1 . . . . 86 LEU CA . 16672 1 702 . 1 1 86 86 LEU CB C 13 42.155 0.029 . 1 . . . . 86 LEU CB . 16672 1 703 . 1 1 86 86 LEU CD1 C 13 22.563 0.008 . 2 . . . . 86 LEU CD1 . 16672 1 704 . 1 1 86 86 LEU N N 15 121.946 0.036 . 1 . . . . 86 LEU N . 16672 1 705 . 1 1 87 87 ASP H H 1 7.898 0.007 . 1 . . . . 87 ASP H . 16672 1 706 . 1 1 87 87 ASP HA H 1 4.747 0.007 . 1 . . . . 87 ASP HA . 16672 1 707 . 1 1 87 87 ASP HB2 H 1 2.792 0.007 . 2 . . . . 87 ASP HB2 . 16672 1 708 . 1 1 87 87 ASP HB3 H 1 2.737 0.012 . 2 . . . . 87 ASP HB3 . 16672 1 709 . 1 1 87 87 ASP CA C 13 54.037 0.092 . 1 . . . . 87 ASP CA . 16672 1 710 . 1 1 87 87 ASP CB C 13 40.666 0.057 . 1 . . . . 87 ASP CB . 16672 1 711 . 1 1 87 87 ASP N N 15 118.630 0.018 . 1 . . . . 87 ASP N . 16672 1 712 . 1 1 88 88 VAL H H 1 7.658 0.013 . 1 . . . . 88 VAL H . 16672 1 713 . 1 1 88 88 VAL HA H 1 4.237 0.009 . 1 . . . . 88 VAL HA . 16672 1 714 . 1 1 88 88 VAL HB H 1 2.150 0.008 . 1 . . . . 88 VAL HB . 16672 1 715 . 1 1 88 88 VAL HG11 H 1 1.067 0.010 . 2 . . . . 88 VAL QG1 . 16672 1 716 . 1 1 88 88 VAL HG12 H 1 1.067 0.010 . 2 . . . . 88 VAL QG1 . 16672 1 717 . 1 1 88 88 VAL HG13 H 1 1.067 0.010 . 2 . . . . 88 VAL QG1 . 16672 1 718 . 1 1 88 88 VAL HG21 H 1 0.983 0.009 . 2 . . . . 88 VAL QG2 . 16672 1 719 . 1 1 88 88 VAL HG22 H 1 0.983 0.009 . 2 . . . . 88 VAL QG2 . 16672 1 720 . 1 1 88 88 VAL HG23 H 1 0.983 0.009 . 2 . . . . 88 VAL QG2 . 16672 1 721 . 1 1 88 88 VAL CA C 13 62.890 0.039 . 1 . . . . 88 VAL CA . 16672 1 722 . 1 1 88 88 VAL CB C 13 32.151 0.150 . 1 . . . . 88 VAL CB . 16672 1 723 . 1 1 88 88 VAL CG1 C 13 20.675 0.291 . 2 . . . . 88 VAL CG1 . 16672 1 724 . 1 1 88 88 VAL CG2 C 13 20.349 0.150 . 2 . . . . 88 VAL CG2 . 16672 1 725 . 1 1 88 88 VAL N N 15 120.367 0.134 . 1 . . . . 88 VAL N . 16672 1 726 . 1 1 89 89 PRO HA H 1 4.467 0.007 . 1 . . . . 89 PRO HA . 16672 1 727 . 1 1 89 89 PRO HB2 H 1 2.402 0.009 . 2 . . . . 89 PRO HB2 . 16672 1 728 . 1 1 89 89 PRO HB3 H 1 1.953 0.009 . 2 . . . . 89 PRO HB3 . 16672 1 729 . 1 1 89 89 PRO HD2 H 1 3.896 0.010 . 2 . . . . 89 PRO HD2 . 16672 1 730 . 1 1 89 89 PRO HD3 H 1 3.706 0.009 . 2 . . . . 89 PRO HD3 . 16672 1 731 . 1 1 89 89 PRO HG2 H 1 2.122 0.011 . 2 . . . . 89 PRO HG2 . 16672 1 732 . 1 1 89 89 PRO HG3 H 1 2.057 0.010 . 2 . . . . 89 PRO HG3 . 16672 1 733 . 1 1 89 89 PRO CA C 13 64.352 0.001 . 1 . . . . 89 PRO CA . 16672 1 734 . 1 1 89 89 PRO CB C 13 31.512 0.003 . 1 . . . . 89 PRO CB . 16672 1 735 . 1 1 89 89 PRO CD C 13 50.491 0.180 . 1 . . . . 89 PRO CD . 16672 1 736 . 1 1 89 89 PRO CG C 13 27.231 0.022 . 1 . . . . 89 PRO CG . 16672 1 737 . 1 1 90 90 LEU H H 1 7.528 0.013 . 1 . . . . 90 LEU H . 16672 1 738 . 1 1 90 90 LEU HA H 1 4.209 0.008 . 1 . . . . 90 LEU HA . 16672 1 739 . 1 1 90 90 LEU HB2 H 1 1.792 0.018 . 2 . . . . 90 LEU HB2 . 16672 1 740 . 1 1 90 90 LEU HB3 H 1 1.730 0.011 . 2 . . . . 90 LEU HB3 . 16672 1 741 . 1 1 90 90 LEU HD11 H 1 1.026 0.008 . 2 . . . . 90 LEU QD1 . 16672 1 742 . 1 1 90 90 LEU HD12 H 1 1.026 0.008 . 2 . . . . 90 LEU QD1 . 16672 1 743 . 1 1 90 90 LEU HD13 H 1 1.026 0.008 . 2 . . . . 90 LEU QD1 . 16672 1 744 . 1 1 90 90 LEU HD21 H 1 1.024 0.001 . 2 . . . . 90 LEU QD2 . 16672 1 745 . 1 1 90 90 LEU HD22 H 1 1.024 0.001 . 2 . . . . 90 LEU QD2 . 16672 1 746 . 1 1 90 90 LEU HD23 H 1 1.024 0.001 . 2 . . . . 90 LEU QD2 . 16672 1 747 . 1 1 90 90 LEU HG H 1 1.715 0.010 . 1 . . . . 90 LEU HG . 16672 1 748 . 1 1 90 90 LEU CA C 13 57.918 0.150 . 1 . . . . 90 LEU CA . 16672 1 749 . 1 1 90 90 LEU CB C 13 42.379 0.038 . 1 . . . . 90 LEU CB . 16672 1 750 . 1 1 90 90 LEU CD1 C 13 24.615 0.076 . 2 . . . . 90 LEU CD1 . 16672 1 751 . 1 1 90 90 LEU CD2 C 13 23.776 0.179 . 2 . . . . 90 LEU CD2 . 16672 1 752 . 1 1 90 90 LEU CG C 13 27.749 0.150 . 1 . . . . 90 LEU CG . 16672 1 753 . 1 1 90 90 LEU N N 15 119.223 0.065 . 1 . . . . 90 LEU N . 16672 1 754 . 1 1 91 91 VAL H H 1 7.421 0.007 . 1 . . . . 91 VAL H . 16672 1 755 . 1 1 91 91 VAL HA H 1 3.972 0.006 . 1 . . . . 91 VAL HA . 16672 1 756 . 1 1 91 91 VAL HB H 1 2.180 0.004 . 1 . . . . 91 VAL HB . 16672 1 757 . 1 1 91 91 VAL HG11 H 1 1.108 0.010 . 2 . . . . 91 VAL QG1 . 16672 1 758 . 1 1 91 91 VAL HG12 H 1 1.108 0.010 . 2 . . . . 91 VAL QG1 . 16672 1 759 . 1 1 91 91 VAL HG13 H 1 1.108 0.010 . 2 . . . . 91 VAL QG1 . 16672 1 760 . 1 1 91 91 VAL HG21 H 1 1.064 0.009 . 2 . . . . 91 VAL QG2 . 16672 1 761 . 1 1 91 91 VAL HG22 H 1 1.064 0.009 . 2 . . . . 91 VAL QG2 . 16672 1 762 . 1 1 91 91 VAL HG23 H 1 1.064 0.009 . 2 . . . . 91 VAL QG2 . 16672 1 763 . 1 1 91 91 VAL CA C 13 65.324 0.023 . 1 . . . . 91 VAL CA . 16672 1 764 . 1 1 91 91 VAL CB C 13 32.004 0.150 . 1 . . . . 91 VAL CB . 16672 1 765 . 1 1 91 91 VAL CG1 C 13 20.923 0.105 . 2 . . . . 91 VAL CG1 . 16672 1 766 . 1 1 91 91 VAL CG2 C 13 20.051 0.105 . 2 . . . . 91 VAL CG2 . 16672 1 767 . 1 1 91 91 VAL N N 15 115.352 0.083 . 1 . . . . 91 VAL N . 16672 1 768 . 1 1 92 92 GLY H H 1 7.928 0.008 . 1 . . . . 92 GLY H . 16672 1 769 . 1 1 92 92 GLY HA2 H 1 3.942 0.004 . 2 . . . . 92 GLY HA2 . 16672 1 770 . 1 1 92 92 GLY HA3 H 1 3.798 0.012 . 2 . . . . 92 GLY HA3 . 16672 1 771 . 1 1 92 92 GLY CA C 13 47.019 0.001 . 1 . . . . 92 GLY CA . 16672 1 772 . 1 1 92 92 GLY N N 15 105.587 7.771 . 1 . . . . 92 GLY N . 16672 1 773 . 1 1 93 93 LYS H H 1 7.684 0.008 . 1 . . . . 93 LYS H . 16672 1 774 . 1 1 93 93 LYS HA H 1 4.106 0.011 . 1 . . . . 93 LYS HA . 16672 1 775 . 1 1 93 93 LYS HB2 H 1 1.973 0.008 . 2 . . . . 93 LYS HB2 . 16672 1 776 . 1 1 93 93 LYS HD2 H 1 1.712 0.010 . 2 . . . . 93 LYS QD . 16672 1 777 . 1 1 93 93 LYS HD3 H 1 1.712 0.010 . 2 . . . . 93 LYS QD . 16672 1 778 . 1 1 93 93 LYS HE2 H 1 2.988 0.003 . 2 . . . . 93 LYS QE . 16672 1 779 . 1 1 93 93 LYS HE3 H 1 2.988 0.003 . 2 . . . . 93 LYS QE . 16672 1 780 . 1 1 93 93 LYS HG2 H 1 1.455 0.006 . 2 . . . . 93 LYS HG2 . 16672 1 781 . 1 1 93 93 LYS HG3 H 1 1.328 0.015 . 2 . . . . 93 LYS HG3 . 16672 1 782 . 1 1 93 93 LYS CA C 13 59.663 0.026 . 1 . . . . 93 LYS CA . 16672 1 783 . 1 1 93 93 LYS CB C 13 31.679 0.055 . 1 . . . . 93 LYS CB . 16672 1 784 . 1 1 93 93 LYS CD C 13 29.086 0.150 . 1 . . . . 93 LYS CD . 16672 1 785 . 1 1 93 93 LYS CE C 13 42.373 0.002 . 1 . . . . 93 LYS CE . 16672 1 786 . 1 1 93 93 LYS CG C 13 25.172 0.119 . 1 . . . . 93 LYS CG . 16672 1 787 . 1 1 93 93 LYS N N 15 119.654 0.072 . 1 . . . . 93 LYS N . 16672 1 788 . 1 1 94 94 TYR H H 1 7.919 0.011 . 1 . . . . 94 TYR H . 16672 1 789 . 1 1 94 94 TYR HA H 1 4.403 0.012 . 1 . . . . 94 TYR HA . 16672 1 790 . 1 1 94 94 TYR HB2 H 1 3.286 0.004 . 2 . . . . 94 TYR HB2 . 16672 1 791 . 1 1 94 94 TYR HB3 H 1 3.177 0.008 . 2 . . . . 94 TYR HB3 . 16672 1 792 . 1 1 94 94 TYR HD1 H 1 7.158 0.010 . 3 . . . . 94 TYR QD . 16672 1 793 . 1 1 94 94 TYR HD2 H 1 7.158 0.010 . 3 . . . . 94 TYR QD . 16672 1 794 . 1 1 94 94 TYR HE1 H 1 6.840 0.003 . 3 . . . . 94 TYR QE . 16672 1 795 . 1 1 94 94 TYR HE2 H 1 6.840 0.003 . 3 . . . . 94 TYR QE . 16672 1 796 . 1 1 94 94 TYR CA C 13 61.043 0.150 . 1 . . . . 94 TYR CA . 16672 1 797 . 1 1 94 94 TYR CB C 13 38.046 0.115 . 1 . . . . 94 TYR CB . 16672 1 798 . 1 1 94 94 TYR CD1 C 13 68.338 0.169 . 3 . . . . 94 TYR CD1 . 16672 1 799 . 1 1 94 94 TYR CE1 C 13 54.337 0.120 . 3 . . . . 94 TYR CE1 . 16672 1 800 . 1 1 94 94 TYR N N 15 118.575 0.050 . 1 . . . . 94 TYR N . 16672 1 801 . 1 1 95 95 LEU H H 1 8.443 0.010 . 1 . . . . 95 LEU H . 16672 1 802 . 1 1 95 95 LEU HA H 1 4.131 0.009 . 1 . . . . 95 LEU HA . 16672 1 803 . 1 1 95 95 LEU HB2 H 1 1.961 0.013 . 2 . . . . 95 LEU HB2 . 16672 1 804 . 1 1 95 95 LEU HB3 H 1 1.715 0.008 . 2 . . . . 95 LEU HB3 . 16672 1 805 . 1 1 95 95 LEU HD11 H 1 0.982 0.007 . 2 . . . . 95 LEU QD1 . 16672 1 806 . 1 1 95 95 LEU HD12 H 1 0.982 0.007 . 2 . . . . 95 LEU QD1 . 16672 1 807 . 1 1 95 95 LEU HD13 H 1 0.982 0.007 . 2 . . . . 95 LEU QD1 . 16672 1 808 . 1 1 95 95 LEU HG H 1 1.922 0.008 . 1 . . . . 95 LEU HG . 16672 1 809 . 1 1 95 95 LEU CA C 13 58.615 0.150 . 1 . . . . 95 LEU CA . 16672 1 810 . 1 1 95 95 LEU CB C 13 41.888 0.036 . 1 . . . . 95 LEU CB . 16672 1 811 . 1 1 95 95 LEU CD1 C 13 23.379 0.079 . 2 . . . . 95 LEU CD1 . 16672 1 812 . 1 1 95 95 LEU CG C 13 26.988 0.004 . 1 . . . . 95 LEU CG . 16672 1 813 . 1 1 95 95 LEU N N 15 122.160 0.047 . 1 . . . . 95 LEU N . 16672 1 814 . 1 1 96 96 MET H H 1 8.152 0.010 . 1 . . . . 96 MET H . 16672 1 815 . 1 1 96 96 MET HA H 1 4.258 0.005 . 1 . . . . 96 MET HA . 16672 1 816 . 1 1 96 96 MET HB2 H 1 2.221 0.018 . 2 . . . . 96 MET HB2 . 16672 1 817 . 1 1 96 96 MET HE1 H 1 2.058 0.004 . 1 . . . . 96 MET QE . 16672 1 818 . 1 1 96 96 MET HE2 H 1 2.058 0.004 . 1 . . . . 96 MET QE . 16672 1 819 . 1 1 96 96 MET HE3 H 1 2.058 0.004 . 1 . . . . 96 MET QE . 16672 1 820 . 1 1 96 96 MET HG2 H 1 2.709 0.011 . 2 . . . . 96 MET HG2 . 16672 1 821 . 1 1 96 96 MET HG3 H 1 2.599 0.008 . 2 . . . . 96 MET HG3 . 16672 1 822 . 1 1 96 96 MET CA C 13 59.067 0.013 . 1 . . . . 96 MET CA . 16672 1 823 . 1 1 96 96 MET CB C 13 32.004 0.150 . 1 . . . . 96 MET CB . 16672 1 824 . 1 1 96 96 MET CE C 13 16.285 0.025 . 1 . . . . 96 MET CE . 16672 1 825 . 1 1 96 96 MET CG C 13 32.187 0.032 . 1 . . . . 96 MET CG . 16672 1 826 . 1 1 96 96 MET N N 15 118.015 0.024 . 1 . . . . 96 MET N . 16672 1 827 . 1 1 97 97 PHE H H 1 8.346 0.010 . 1 . . . . 97 PHE H . 16672 1 828 . 1 1 97 97 PHE HA H 1 4.344 0.011 . 1 . . . . 97 PHE HA . 16672 1 829 . 1 1 97 97 PHE HB2 H 1 3.318 0.005 . 2 . . . . 97 PHE HB2 . 16672 1 830 . 1 1 97 97 PHE HB3 H 1 3.207 0.009 . 2 . . . . 97 PHE HB3 . 16672 1 831 . 1 1 97 97 PHE HD1 H 1 7.216 0.016 . 3 . . . . 97 PHE QD . 16672 1 832 . 1 1 97 97 PHE HD2 H 1 7.216 0.016 . 3 . . . . 97 PHE QD . 16672 1 833 . 1 1 97 97 PHE HE1 H 1 7.290 0.012 . 3 . . . . 97 PHE QE . 16672 1 834 . 1 1 97 97 PHE HE2 H 1 7.290 0.012 . 3 . . . . 97 PHE QE . 16672 1 835 . 1 1 97 97 PHE CA C 13 61.044 0.150 . 1 . . . . 97 PHE CA . 16672 1 836 . 1 1 97 97 PHE CB C 13 38.981 0.072 . 1 . . . . 97 PHE CB . 16672 1 837 . 1 1 97 97 PHE N N 15 118.183 0.082 . 1 . . . . 97 PHE N . 16672 1 838 . 1 1 98 98 THR H H 1 8.087 0.011 . 1 . . . . 98 THR H . 16672 1 839 . 1 1 98 98 THR HA H 1 3.806 0.008 . 1 . . . . 98 THR HA . 16672 1 840 . 1 1 98 98 THR HB H 1 4.372 0.006 . 1 . . . . 98 THR HB . 16672 1 841 . 1 1 98 98 THR HG21 H 1 1.242 0.004 . 1 . . . . 98 THR QG2 . 16672 1 842 . 1 1 98 98 THR HG22 H 1 1.242 0.004 . 1 . . . . 98 THR QG2 . 16672 1 843 . 1 1 98 98 THR HG23 H 1 1.242 0.004 . 1 . . . . 98 THR QG2 . 16672 1 844 . 1 1 98 98 THR CA C 13 67.185 0.150 . 1 . . . . 98 THR CA . 16672 1 845 . 1 1 98 98 THR CB C 13 69.214 0.150 . 1 . . . . 98 THR CB . 16672 1 846 . 1 1 98 98 THR CG2 C 13 20.547 0.068 . 1 . . . . 98 THR CG2 . 16672 1 847 . 1 1 98 98 THR N N 15 112.909 0.040 . 1 . . . . 98 THR N . 16672 1 848 . 1 1 99 99 MET H H 1 8.095 0.007 . 1 . . . . 99 MET H . 16672 1 849 . 1 1 99 99 MET HA H 1 4.226 0.013 . 1 . . . . 99 MET HA . 16672 1 850 . 1 1 99 99 MET HB2 H 1 2.379 0.010 . 2 . . . . 99 MET HB2 . 16672 1 851 . 1 1 99 99 MET HB3 H 1 2.206 0.007 . 2 . . . . 99 MET HB3 . 16672 1 852 . 1 1 99 99 MET HE1 H 1 2.087 0.004 . 1 . . . . 99 MET QE . 16672 1 853 . 1 1 99 99 MET HE2 H 1 2.087 0.004 . 1 . . . . 99 MET QE . 16672 1 854 . 1 1 99 99 MET HE3 H 1 2.087 0.004 . 1 . . . . 99 MET QE . 16672 1 855 . 1 1 99 99 MET HG2 H 1 2.773 0.005 . 2 . . . . 99 MET HG2 . 16672 1 856 . 1 1 99 99 MET HG3 H 1 2.594 0.004 . 2 . . . . 99 MET HG3 . 16672 1 857 . 1 1 99 99 MET CA C 13 59.057 0.150 . 1 . . . . 99 MET CA . 16672 1 858 . 1 1 99 99 MET CB C 13 31.918 0.029 . 1 . . . . 99 MET CB . 16672 1 859 . 1 1 99 99 MET CE C 13 16.031 0.029 . 1 . . . . 99 MET CE . 16672 1 860 . 1 1 99 99 MET CG C 13 32.220 0.032 . 1 . . . . 99 MET CG . 16672 1 861 . 1 1 99 99 MET N N 15 119.390 0.043 . 1 . . . . 99 MET N . 16672 1 862 . 1 1 100 100 VAL H H 1 8.219 0.009 . 1 . . . . 100 VAL H . 16672 1 863 . 1 1 100 100 VAL HA H 1 3.573 0.009 . 1 . . . . 100 VAL HA . 16672 1 864 . 1 1 100 100 VAL HB H 1 2.266 0.006 . 1 . . . . 100 VAL HB . 16672 1 865 . 1 1 100 100 VAL HG11 H 1 1.107 0.010 . 2 . . . . 100 VAL QG1 . 16672 1 866 . 1 1 100 100 VAL HG12 H 1 1.107 0.010 . 2 . . . . 100 VAL QG1 . 16672 1 867 . 1 1 100 100 VAL HG13 H 1 1.107 0.010 . 2 . . . . 100 VAL QG1 . 16672 1 868 . 1 1 100 100 VAL HG21 H 1 0.875 0.007 . 2 . . . . 100 VAL QG2 . 16672 1 869 . 1 1 100 100 VAL HG22 H 1 0.875 0.007 . 2 . . . . 100 VAL QG2 . 16672 1 870 . 1 1 100 100 VAL HG23 H 1 0.875 0.007 . 2 . . . . 100 VAL QG2 . 16672 1 871 . 1 1 100 100 VAL CA C 13 67.494 0.150 . 1 . . . . 100 VAL CA . 16672 1 872 . 1 1 100 100 VAL CB C 13 31.596 0.025 . 1 . . . . 100 VAL CB . 16672 1 873 . 1 1 100 100 VAL CG1 C 13 21.798 0.059 . 2 . . . . 100 VAL CG1 . 16672 1 874 . 1 1 100 100 VAL CG2 C 13 20.277 0.083 . 2 . . . . 100 VAL CG2 . 16672 1 875 . 1 1 100 100 VAL N N 15 123.675 0.042 . 1 . . . . 100 VAL N . 16672 1 876 . 1 1 101 101 LEU H H 1 7.923 0.007 . 1 . . . . 101 LEU H . 16672 1 877 . 1 1 101 101 LEU HA H 1 4.093 0.007 . 1 . . . . 101 LEU HA . 16672 1 878 . 1 1 101 101 LEU HB2 H 1 1.711 0.007 . 2 . . . . 101 LEU HB2 . 16672 1 879 . 1 1 101 101 LEU HB3 H 1 1.605 0.010 . 2 . . . . 101 LEU HB3 . 16672 1 880 . 1 1 101 101 LEU HD11 H 1 0.824 0.010 . 2 . . . . 101 LEU QD1 . 16672 1 881 . 1 1 101 101 LEU HD12 H 1 0.824 0.010 . 2 . . . . 101 LEU QD1 . 16672 1 882 . 1 1 101 101 LEU HD13 H 1 0.824 0.010 . 2 . . . . 101 LEU QD1 . 16672 1 883 . 1 1 101 101 LEU HD21 H 1 0.818 0.003 . 2 . . . . 101 LEU QD2 . 16672 1 884 . 1 1 101 101 LEU HD22 H 1 0.818 0.003 . 2 . . . . 101 LEU QD2 . 16672 1 885 . 1 1 101 101 LEU HD23 H 1 0.818 0.003 . 2 . . . . 101 LEU QD2 . 16672 1 886 . 1 1 101 101 LEU HG H 1 1.559 0.008 . 1 . . . . 101 LEU HG . 16672 1 887 . 1 1 101 101 LEU CA C 13 58.675 0.150 . 1 . . . . 101 LEU CA . 16672 1 888 . 1 1 101 101 LEU CB C 13 41.697 0.112 . 1 . . . . 101 LEU CB . 16672 1 889 . 1 1 101 101 LEU CD1 C 13 23.550 0.223 . 2 . . . . 101 LEU CD1 . 16672 1 890 . 1 1 101 101 LEU CD2 C 13 22.800 0.030 . 2 . . . . 101 LEU CD2 . 16672 1 891 . 1 1 101 101 LEU CG C 13 26.758 0.150 . 1 . . . . 101 LEU CG . 16672 1 892 . 1 1 101 101 LEU N N 15 120.327 0.115 . 1 . . . . 101 LEU N . 16672 1 893 . 1 1 102 102 VAL H H 1 8.854 0.009 . 1 . . . . 102 VAL H . 16672 1 894 . 1 1 102 102 VAL HA H 1 3.646 0.007 . 1 . . . . 102 VAL HA . 16672 1 895 . 1 1 102 102 VAL HB H 1 2.203 0.007 . 1 . . . . 102 VAL HB . 16672 1 896 . 1 1 102 102 VAL HG11 H 1 1.125 0.006 . 2 . . . . 102 VAL QG1 . 16672 1 897 . 1 1 102 102 VAL HG12 H 1 1.125 0.006 . 2 . . . . 102 VAL QG1 . 16672 1 898 . 1 1 102 102 VAL HG13 H 1 1.125 0.006 . 2 . . . . 102 VAL QG1 . 16672 1 899 . 1 1 102 102 VAL HG21 H 1 0.996 0.011 . 2 . . . . 102 VAL QG2 . 16672 1 900 . 1 1 102 102 VAL HG22 H 1 0.996 0.011 . 2 . . . . 102 VAL QG2 . 16672 1 901 . 1 1 102 102 VAL HG23 H 1 0.996 0.011 . 2 . . . . 102 VAL QG2 . 16672 1 902 . 1 1 102 102 VAL CA C 13 67.513 0.150 . 1 . . . . 102 VAL CA . 16672 1 903 . 1 1 102 102 VAL CB C 13 32.028 0.150 . 1 . . . . 102 VAL CB . 16672 1 904 . 1 1 102 102 VAL CG1 C 13 22.155 0.072 . 2 . . . . 102 VAL CG1 . 16672 1 905 . 1 1 102 102 VAL CG2 C 13 20.452 0.091 . 2 . . . . 102 VAL CG2 . 16672 1 906 . 1 1 102 102 VAL N N 15 121.301 0.031 . 1 . . . . 102 VAL N . 16672 1 907 . 1 1 103 103 THR H H 1 8.157 0.013 . 1 . . . . 103 THR H . 16672 1 908 . 1 1 103 103 THR HA H 1 3.920 0.012 . 1 . . . . 103 THR HA . 16672 1 909 . 1 1 103 103 THR HB H 1 4.441 0.011 . 1 . . . . 103 THR HB . 16672 1 910 . 1 1 103 103 THR HG21 H 1 1.299 0.006 . 1 . . . . 103 THR QG2 . 16672 1 911 . 1 1 103 103 THR HG22 H 1 1.299 0.006 . 1 . . . . 103 THR QG2 . 16672 1 912 . 1 1 103 103 THR HG23 H 1 1.299 0.006 . 1 . . . . 103 THR QG2 . 16672 1 913 . 1 1 103 103 THR CA C 13 67.975 0.150 . 1 . . . . 103 THR CA . 16672 1 914 . 1 1 103 103 THR CB C 13 69.362 0.150 . 1 . . . . 103 THR CB . 16672 1 915 . 1 1 103 103 THR CG2 C 13 20.179 0.010 . 1 . . . . 103 THR CG2 . 16672 1 916 . 1 1 103 103 THR N N 15 115.572 0.047 . 1 . . . . 103 THR N . 16672 1 917 . 1 1 104 104 PHE H H 1 8.972 0.009 . 1 . . . . 104 PHE H . 16672 1 918 . 1 1 104 104 PHE HA H 1 4.292 0.009 . 1 . . . . 104 PHE HA . 16672 1 919 . 1 1 104 104 PHE HB2 H 1 3.306 0.017 . 2 . . . . 104 PHE HB2 . 16672 1 920 . 1 1 104 104 PHE HB3 H 1 3.255 0.005 . 2 . . . . 104 PHE HB3 . 16672 1 921 . 1 1 104 104 PHE HD1 H 1 7.203 0.013 . 3 . . . . 104 PHE QD . 16672 1 922 . 1 1 104 104 PHE HD2 H 1 7.203 0.013 . 3 . . . . 104 PHE QD . 16672 1 923 . 1 1 104 104 PHE HE1 H 1 7.269 0.015 . 3 . . . . 104 PHE QE . 16672 1 924 . 1 1 104 104 PHE HE2 H 1 7.269 0.015 . 3 . . . . 104 PHE QE . 16672 1 925 . 1 1 104 104 PHE CA C 13 61.545 0.150 . 1 . . . . 104 PHE CA . 16672 1 926 . 1 1 104 104 PHE CB C 13 38.901 0.075 . 1 . . . . 104 PHE CB . 16672 1 927 . 1 1 104 104 PHE CD1 C 13 67.026 0.150 . 3 . . . . 104 PHE CD1 . 16672 1 928 . 1 1 104 104 PHE CE1 C 13 66.834 0.216 . 3 . . . . 104 PHE CE1 . 16672 1 929 . 1 1 104 104 PHE N N 15 120.755 0.040 . 1 . . . . 104 PHE N . 16672 1 930 . 1 1 105 105 SER H H 1 8.546 0.006 . 1 . . . . 105 SER H . 16672 1 931 . 1 1 105 105 SER HA H 1 4.342 0.010 . 1 . . . . 105 SER HA . 16672 1 932 . 1 1 105 105 SER HB2 H 1 4.148 0.007 . 2 . . . . 105 SER HB2 . 16672 1 933 . 1 1 105 105 SER HB3 H 1 4.013 0.005 . 2 . . . . 105 SER HB3 . 16672 1 934 . 1 1 105 105 SER CA C 13 62.340 0.150 . 1 . . . . 105 SER CA . 16672 1 935 . 1 1 105 105 SER CB C 13 62.817 0.099 . 1 . . . . 105 SER CB . 16672 1 936 . 1 1 105 105 SER N N 15 118.249 0.022 . 1 . . . . 105 SER N . 16672 1 937 . 1 1 106 106 ILE H H 1 8.413 0.011 . 1 . . . . 106 ILE H . 16672 1 938 . 1 1 106 106 ILE HA H 1 3.788 0.004 . 1 . . . . 106 ILE HA . 16672 1 939 . 1 1 106 106 ILE HB H 1 2.080 0.004 . 1 . . . . 106 ILE HB . 16672 1 940 . 1 1 106 106 ILE HD11 H 1 0.879 0.010 . 1 . . . . 106 ILE QD1 . 16672 1 941 . 1 1 106 106 ILE HD12 H 1 0.879 0.010 . 1 . . . . 106 ILE QD1 . 16672 1 942 . 1 1 106 106 ILE HD13 H 1 0.879 0.010 . 1 . . . . 106 ILE QD1 . 16672 1 943 . 1 1 106 106 ILE HG12 H 1 1.906 0.006 . 2 . . . . 106 ILE HG12 . 16672 1 944 . 1 1 106 106 ILE HG13 H 1 1.115 0.008 . 2 . . . . 106 ILE HG13 . 16672 1 945 . 1 1 106 106 ILE HG21 H 1 0.944 0.005 . 1 . . . . 106 ILE QG2 . 16672 1 946 . 1 1 106 106 ILE HG22 H 1 0.944 0.005 . 1 . . . . 106 ILE QG2 . 16672 1 947 . 1 1 106 106 ILE HG23 H 1 0.944 0.005 . 1 . . . . 106 ILE QG2 . 16672 1 948 . 1 1 106 106 ILE CA C 13 65.818 0.150 . 1 . . . . 106 ILE CA . 16672 1 949 . 1 1 106 106 ILE CB C 13 38.380 0.003 . 1 . . . . 106 ILE CB . 16672 1 950 . 1 1 106 106 ILE CD1 C 13 12.263 0.096 . 1 . . . . 106 ILE CD1 . 16672 1 951 . 1 1 106 106 ILE CG1 C 13 28.559 0.023 . 1 . . . . 106 ILE CG1 . 16672 1 952 . 1 1 106 106 ILE CG2 C 13 15.849 0.116 . 1 . . . . 106 ILE CG2 . 16672 1 953 . 1 1 106 106 ILE N N 15 126.071 0.050 . 1 . . . . 106 ILE N . 16672 1 954 . 1 1 107 107 VAL H H 1 8.627 0.009 . 1 . . . . 107 VAL H . 16672 1 955 . 1 1 107 107 VAL HA H 1 3.642 0.008 . 1 . . . . 107 VAL HA . 16672 1 956 . 1 1 107 107 VAL HB H 1 2.115 0.006 . 1 . . . . 107 VAL HB . 16672 1 957 . 1 1 107 107 VAL HG11 H 1 1.120 0.004 . 2 . . . . 107 VAL QG1 . 16672 1 958 . 1 1 107 107 VAL HG12 H 1 1.120 0.004 . 2 . . . . 107 VAL QG1 . 16672 1 959 . 1 1 107 107 VAL HG13 H 1 1.120 0.004 . 2 . . . . 107 VAL QG1 . 16672 1 960 . 1 1 107 107 VAL HG21 H 1 0.973 0.012 . 2 . . . . 107 VAL QG2 . 16672 1 961 . 1 1 107 107 VAL HG22 H 1 0.973 0.012 . 2 . . . . 107 VAL QG2 . 16672 1 962 . 1 1 107 107 VAL HG23 H 1 0.973 0.012 . 2 . . . . 107 VAL QG2 . 16672 1 963 . 1 1 107 107 VAL CA C 13 67.513 0.150 . 1 . . . . 107 VAL CA . 16672 1 964 . 1 1 107 107 VAL CB C 13 31.913 0.150 . 1 . . . . 107 VAL CB . 16672 1 965 . 1 1 107 107 VAL CG1 C 13 21.809 0.105 . 2 . . . . 107 VAL CG1 . 16672 1 966 . 1 1 107 107 VAL CG2 C 13 20.369 0.079 . 2 . . . . 107 VAL CG2 . 16672 1 967 . 1 1 107 107 VAL N N 15 118.957 0.043 . 1 . . . . 107 VAL N . 16672 1 968 . 1 1 108 108 THR H H 1 8.135 0.008 . 1 . . . . 108 THR H . 16672 1 969 . 1 1 108 108 THR HA H 1 3.881 0.008 . 1 . . . . 108 THR HA . 16672 1 970 . 1 1 108 108 THR HB H 1 4.090 0.004 . 1 . . . . 108 THR HB . 16672 1 971 . 1 1 108 108 THR HG21 H 1 1.082 0.010 . 1 . . . . 108 THR QG2 . 16672 1 972 . 1 1 108 108 THR HG22 H 1 1.082 0.010 . 1 . . . . 108 THR QG2 . 16672 1 973 . 1 1 108 108 THR HG23 H 1 1.082 0.010 . 1 . . . . 108 THR QG2 . 16672 1 974 . 1 1 108 108 THR CA C 13 66.742 0.117 . 1 . . . . 108 THR CA . 16672 1 975 . 1 1 108 108 THR CB C 13 69.306 0.302 . 1 . . . . 108 THR CB . 16672 1 976 . 1 1 108 108 THR CG2 C 13 20.587 0.112 . 1 . . . . 108 THR CG2 . 16672 1 977 . 1 1 108 108 THR N N 15 111.984 0.179 . 1 . . . . 108 THR N . 16672 1 978 . 1 1 109 109 SER H H 1 7.732 0.010 . 1 . . . . 109 SER H . 16672 1 979 . 1 1 109 109 SER HA H 1 4.230 0.006 . 1 . . . . 109 SER HA . 16672 1 980 . 1 1 109 109 SER HB3 H 1 3.940 0.016 . 2 . . . . 109 SER HB3 . 16672 1 981 . 1 1 109 109 SER CA C 13 62.901 0.049 . 1 . . . . 109 SER CA . 16672 1 982 . 1 1 109 109 SER CB C 13 62.853 0.150 . 1 . . . . 109 SER CB . 16672 1 983 . 1 1 109 109 SER N N 15 117.524 0.089 . 1 . . . . 109 SER N . 16672 1 984 . 1 1 110 110 VAL H H 1 8.267 0.016 . 1 . . . . 110 VAL H . 16672 1 985 . 1 1 110 110 VAL HA H 1 3.757 0.009 . 1 . . . . 110 VAL HA . 16672 1 986 . 1 1 110 110 VAL HB H 1 2.316 0.005 . 1 . . . . 110 VAL HB . 16672 1 987 . 1 1 110 110 VAL HG11 H 1 1.111 0.006 . 2 . . . . 110 VAL QG1 . 16672 1 988 . 1 1 110 110 VAL HG12 H 1 1.111 0.006 . 2 . . . . 110 VAL QG1 . 16672 1 989 . 1 1 110 110 VAL HG13 H 1 1.111 0.006 . 2 . . . . 110 VAL QG1 . 16672 1 990 . 1 1 110 110 VAL HG21 H 1 0.975 0.010 . 2 . . . . 110 VAL QG2 . 16672 1 991 . 1 1 110 110 VAL HG22 H 1 0.975 0.010 . 2 . . . . 110 VAL QG2 . 16672 1 992 . 1 1 110 110 VAL HG23 H 1 0.975 0.010 . 2 . . . . 110 VAL QG2 . 16672 1 993 . 1 1 110 110 VAL CA C 13 66.696 0.150 . 1 . . . . 110 VAL CA . 16672 1 994 . 1 1 110 110 VAL CB C 13 31.692 0.150 . 1 . . . . 110 VAL CB . 16672 1 995 . 1 1 110 110 VAL CG1 C 13 21.755 0.077 . 2 . . . . 110 VAL CG1 . 16672 1 996 . 1 1 110 110 VAL CG2 C 13 20.347 0.103 . 2 . . . . 110 VAL CG2 . 16672 1 997 . 1 1 110 110 VAL N N 15 121.685 0.154 . 1 . . . . 110 VAL N . 16672 1 998 . 1 1 111 111 CYS H H 1 8.167 0.021 . 1 . . . . 111 CYS H . 16672 1 999 . 1 1 111 111 CYS HA H 1 4.220 0.011 . 1 . . . . 111 CYS HA . 16672 1 1000 . 1 1 111 111 CYS HB2 H 1 3.252 0.016 . 2 . . . . 111 CYS HB2 . 16672 1 1001 . 1 1 111 111 CYS HB3 H 1 2.920 0.004 . 2 . . . . 111 CYS HB3 . 16672 1 1002 . 1 1 111 111 CYS CA C 13 63.870 0.195 . 1 . . . . 111 CYS CA . 16672 1 1003 . 1 1 111 111 CYS CB C 13 26.328 0.132 . 1 . . . . 111 CYS CB . 16672 1 1004 . 1 1 111 111 CYS N N 15 118.980 0.222 . 1 . . . . 111 CYS N . 16672 1 1005 . 1 1 112 112 VAL H H 1 8.340 0.020 . 1 . . . . 112 VAL H . 16672 1 1006 . 1 1 112 112 VAL HA H 1 3.793 0.002 . 1 . . . . 112 VAL HA . 16672 1 1007 . 1 1 112 112 VAL HB H 1 2.290 0.004 . 1 . . . . 112 VAL HB . 16672 1 1008 . 1 1 112 112 VAL HG11 H 1 1.125 0.005 . 2 . . . . 112 VAL QG1 . 16672 1 1009 . 1 1 112 112 VAL HG12 H 1 1.125 0.005 . 2 . . . . 112 VAL QG1 . 16672 1 1010 . 1 1 112 112 VAL HG13 H 1 1.125 0.005 . 2 . . . . 112 VAL QG1 . 16672 1 1011 . 1 1 112 112 VAL HG21 H 1 0.994 0.005 . 2 . . . . 112 VAL QG2 . 16672 1 1012 . 1 1 112 112 VAL HG22 H 1 0.994 0.005 . 2 . . . . 112 VAL QG2 . 16672 1 1013 . 1 1 112 112 VAL HG23 H 1 0.994 0.005 . 2 . . . . 112 VAL QG2 . 16672 1 1014 . 1 1 112 112 VAL CA C 13 66.614 0.024 . 1 . . . . 112 VAL CA . 16672 1 1015 . 1 1 112 112 VAL CB C 13 31.796 0.004 . 1 . . . . 112 VAL CB . 16672 1 1016 . 1 1 112 112 VAL CG1 C 13 21.971 0.083 . 2 . . . . 112 VAL CG1 . 16672 1 1017 . 1 1 112 112 VAL CG2 C 13 20.497 0.107 . 2 . . . . 112 VAL CG2 . 16672 1 1018 . 1 1 112 112 VAL N N 15 119.247 0.137 . 1 . . . . 112 VAL N . 16672 1 1019 . 1 1 113 113 LEU H H 1 8.331 0.030 . 1 . . . . 113 LEU H . 16672 1 1020 . 1 1 113 113 LEU HA H 1 4.217 0.010 . 1 . . . . 113 LEU HA . 16672 1 1021 . 1 1 113 113 LEU HB2 H 1 1.982 0.004 . 2 . . . . 113 LEU HB2 . 16672 1 1022 . 1 1 113 113 LEU HB3 H 1 1.630 0.005 . 2 . . . . 113 LEU HB3 . 16672 1 1023 . 1 1 113 113 LEU HD11 H 1 0.929 0.004 . 2 . . . . 113 LEU QD1 . 16672 1 1024 . 1 1 113 113 LEU HD12 H 1 0.929 0.004 . 2 . . . . 113 LEU QD1 . 16672 1 1025 . 1 1 113 113 LEU HD13 H 1 0.929 0.004 . 2 . . . . 113 LEU QD1 . 16672 1 1026 . 1 1 113 113 LEU HD21 H 1 0.913 0.002 . 2 . . . . 113 LEU QD2 . 16672 1 1027 . 1 1 113 113 LEU HD22 H 1 0.913 0.002 . 2 . . . . 113 LEU QD2 . 16672 1 1028 . 1 1 113 113 LEU HD23 H 1 0.913 0.002 . 2 . . . . 113 LEU QD2 . 16672 1 1029 . 1 1 113 113 LEU HG H 1 1.847 0.010 . 1 . . . . 113 LEU HG . 16672 1 1030 . 1 1 113 113 LEU CA C 13 58.096 0.012 . 1 . . . . 113 LEU CA . 16672 1 1031 . 1 1 113 113 LEU CB C 13 41.834 0.031 . 1 . . . . 113 LEU CB . 16672 1 1032 . 1 1 113 113 LEU CD1 C 13 23.906 0.042 . 2 . . . . 113 LEU CD1 . 16672 1 1033 . 1 1 113 113 LEU CD2 C 13 22.665 0.100 . 2 . . . . 113 LEU CD2 . 16672 1 1034 . 1 1 113 113 LEU CG C 13 26.979 0.150 . 1 . . . . 113 LEU CG . 16672 1 1035 . 1 1 113 113 LEU N N 15 120.601 0.077 . 1 . . . . 113 LEU N . 16672 1 1036 . 1 1 114 114 ASN H H 1 8.161 0.043 . 1 . . . . 114 ASN H . 16672 1 1037 . 1 1 114 114 ASN HA H 1 4.638 0.008 . 1 . . . . 114 ASN HA . 16672 1 1038 . 1 1 114 114 ASN HB2 H 1 2.997 0.008 . 2 . . . . 114 ASN HB2 . 16672 1 1039 . 1 1 114 114 ASN HB3 H 1 2.854 0.008 . 2 . . . . 114 ASN HB3 . 16672 1 1040 . 1 1 114 114 ASN HD21 H 1 7.515 0.026 . 2 . . . . 114 ASN HD21 . 16672 1 1041 . 1 1 114 114 ASN HD22 H 1 6.337 0.010 . 2 . . . . 114 ASN HD22 . 16672 1 1042 . 1 1 114 114 ASN CA C 13 55.833 0.150 . 1 . . . . 114 ASN CA . 16672 1 1043 . 1 1 114 114 ASN CB C 13 39.323 0.001 . 1 . . . . 114 ASN CB . 16672 1 1044 . 1 1 114 114 ASN N N 15 116.609 0.441 . 1 . . . . 114 ASN N . 16672 1 1045 . 1 1 114 114 ASN ND2 N 15 110.067 0.103 . 1 . . . . 114 ASN ND2 . 16672 1 1046 . 1 1 115 115 VAL H H 1 8.118 0.055 . 1 . . . . 115 VAL H . 16672 1 1047 . 1 1 115 115 VAL HA H 1 3.974 0.003 . 1 . . . . 115 VAL HA . 16672 1 1048 . 1 1 115 115 VAL HB H 1 2.202 0.005 . 1 . . . . 115 VAL HB . 16672 1 1049 . 1 1 115 115 VAL HG11 H 1 1.037 0.007 . 2 . . . . 115 VAL QG1 . 16672 1 1050 . 1 1 115 115 VAL HG12 H 1 1.037 0.007 . 2 . . . . 115 VAL QG1 . 16672 1 1051 . 1 1 115 115 VAL HG13 H 1 1.037 0.007 . 2 . . . . 115 VAL QG1 . 16672 1 1052 . 1 1 115 115 VAL HG21 H 1 0.862 0.005 . 2 . . . . 115 VAL QG2 . 16672 1 1053 . 1 1 115 115 VAL HG22 H 1 0.862 0.005 . 2 . . . . 115 VAL QG2 . 16672 1 1054 . 1 1 115 115 VAL HG23 H 1 0.862 0.005 . 2 . . . . 115 VAL QG2 . 16672 1 1055 . 1 1 115 115 VAL CA C 13 64.686 0.150 . 1 . . . . 115 VAL CA . 16672 1 1056 . 1 1 115 115 VAL CB C 13 32.110 0.058 . 1 . . . . 115 VAL CB . 16672 1 1057 . 1 1 115 115 VAL CG1 C 13 20.715 0.117 . 2 . . . . 115 VAL CG1 . 16672 1 1058 . 1 1 115 115 VAL CG2 C 13 20.201 0.055 . 2 . . . . 115 VAL CG2 . 16672 1 1059 . 1 1 115 115 VAL N N 15 117.996 0.402 . 1 . . . . 115 VAL N . 16672 1 1060 . 1 1 116 116 HIS H H 1 7.886 0.008 . 1 . . . . 116 HIS H . 16672 1 1061 . 1 1 116 116 HIS HA H 1 4.629 0.009 . 1 . . . . 116 HIS HA . 16672 1 1062 . 1 1 116 116 HIS HB2 H 1 3.385 0.037 . 2 . . . . 116 HIS HB2 . 16672 1 1063 . 1 1 116 116 HIS HB3 H 1 3.199 0.046 . 2 . . . . 116 HIS HB3 . 16672 1 1064 . 1 1 116 116 HIS HD2 H 1 7.229 0.010 . 1 . . . . 116 HIS HD2 . 16672 1 1065 . 1 1 116 116 HIS CA C 13 56.853 0.029 . 1 . . . . 116 HIS CA . 16672 1 1066 . 1 1 116 116 HIS CB C 13 29.138 0.340 . 1 . . . . 116 HIS CB . 16672 1 1067 . 1 1 116 116 HIS N N 15 116.549 0.055 . 1 . . . . 116 HIS N . 16672 1 1068 . 1 1 117 117 HIS HA H 1 4.748 0.031 . 1 . . . . 117 HIS HA . 16672 1 1069 . 1 1 117 117 HIS HB2 H 1 3.390 0.063 . 2 . . . . 117 HIS HB2 . 16672 1 1070 . 1 1 117 117 HIS HB3 H 1 3.204 0.086 . 2 . . . . 117 HIS HB3 . 16672 1 1071 . 1 1 117 117 HIS HD2 H 1 7.267 0.010 . 1 . . . . 117 HIS HD2 . 16672 1 1072 . 1 1 117 117 HIS CA C 13 56.001 0.036 . 1 . . . . 117 HIS CA . 16672 1 1073 . 1 1 117 117 HIS CB C 13 29.426 0.362 . 1 . . . . 117 HIS CB . 16672 1 1074 . 1 1 118 118 ARG HA H 1 4.314 0.063 . 1 . . . . 118 ARG HA . 16672 1 1075 . 1 1 118 118 ARG HB2 H 1 1.982 0.014 . 2 . . . . 118 ARG HB2 . 16672 1 1076 . 1 1 118 118 ARG HB3 H 1 1.825 0.021 . 2 . . . . 118 ARG HB3 . 16672 1 1077 . 1 1 118 118 ARG HD2 H 1 3.249 0.006 . 2 . . . . 118 ARG QD . 16672 1 1078 . 1 1 118 118 ARG HD3 H 1 3.249 0.006 . 2 . . . . 118 ARG QD . 16672 1 1079 . 1 1 118 118 ARG HG2 H 1 1.707 0.014 . 2 . . . . 118 ARG HG2 . 16672 1 1080 . 1 1 118 118 ARG CA C 13 57.069 0.458 . 1 . . . . 118 ARG CA . 16672 1 1081 . 1 1 118 118 ARG CB C 13 31.142 0.288 . 1 . . . . 118 ARG CB . 16672 1 1082 . 1 1 118 118 ARG CD C 13 43.356 0.150 . 1 . . . . 118 ARG CD . 16672 1 1083 . 1 1 118 118 ARG CG C 13 27.061 0.018 . 1 . . . . 118 ARG CG . 16672 1 1084 . 1 1 119 119 SER H H 1 7.839 0.011 . 1 . . . . 119 SER H . 16672 1 1085 . 1 1 119 119 SER HA H 1 4.812 0.004 . 1 . . . . 119 SER HA . 16672 1 1086 . 1 1 119 119 SER HB2 H 1 4.075 0.007 . 2 . . . . 119 SER HB . 16672 1 1087 . 1 1 119 119 SER HB3 H 1 4.075 0.007 . 2 . . . . 119 SER HB . 16672 1 1088 . 1 1 119 119 SER CA C 13 56.765 0.049 . 1 . . . . 119 SER CA . 16672 1 1089 . 1 1 119 119 SER CB C 13 63.811 0.049 . 1 . . . . 119 SER CB . 16672 1 1090 . 1 1 119 119 SER N N 15 115.574 0.054 . 1 . . . . 119 SER N . 16672 1 1091 . 1 1 120 120 PRO HA H 1 4.456 0.002 . 1 . . . . 120 PRO HA . 16672 1 1092 . 1 1 120 120 PRO HB2 H 1 2.392 0.019 . 2 . . . . 120 PRO HB2 . 16672 1 1093 . 1 1 120 120 PRO HB3 H 1 2.011 0.004 . 2 . . . . 120 PRO HB3 . 16672 1 1094 . 1 1 120 120 PRO HD2 H 1 3.922 0.006 . 2 . . . . 120 PRO HD2 . 16672 1 1095 . 1 1 120 120 PRO HD3 H 1 3.863 0.009 . 2 . . . . 120 PRO HD3 . 16672 1 1096 . 1 1 120 120 PRO HG2 H 1 2.089 0.008 . 2 . . . . 120 PRO HG2 . 16672 1 1097 . 1 1 120 120 PRO CA C 13 63.833 0.150 . 1 . . . . 120 PRO CA . 16672 1 1098 . 1 1 120 120 PRO CB C 13 31.495 0.101 . 1 . . . . 120 PRO CB . 16672 1 1099 . 1 1 120 120 PRO CD C 13 50.755 0.116 . 1 . . . . 120 PRO CD . 16672 1 1100 . 1 1 120 120 PRO CG C 13 26.993 0.150 . 1 . . . . 120 PRO CG . 16672 1 1101 . 1 1 121 121 THR H H 1 7.690 0.004 . 1 . . . . 121 THR H . 16672 1 1102 . 1 1 121 121 THR HA H 1 4.585 0.010 . 1 . . . . 121 THR HA . 16672 1 1103 . 1 1 121 121 THR HB H 1 4.308 0.010 . 1 . . . . 121 THR HB . 16672 1 1104 . 1 1 121 121 THR HG21 H 1 1.263 0.002 . 1 . . . . 121 THR QG2 . 16672 1 1105 . 1 1 121 121 THR HG22 H 1 1.263 0.002 . 1 . . . . 121 THR QG2 . 16672 1 1106 . 1 1 121 121 THR HG23 H 1 1.263 0.002 . 1 . . . . 121 THR QG2 . 16672 1 1107 . 1 1 121 121 THR CA C 13 62.868 0.150 . 1 . . . . 121 THR CA . 16672 1 1108 . 1 1 121 121 THR CB C 13 69.826 0.150 . 1 . . . . 121 THR CB . 16672 1 1109 . 1 1 121 121 THR CG2 C 13 21.064 0.014 . 1 . . . . 121 THR CG2 . 16672 1 1110 . 1 1 121 121 THR N N 15 108.425 0.095 . 1 . . . . 121 THR N . 16672 1 1111 . 1 1 122 122 THR H H 1 7.702 0.009 . 1 . . . . 122 THR H . 16672 1 1112 . 1 1 122 122 THR HA H 1 4.588 0.003 . 1 . . . . 122 THR HA . 16672 1 1113 . 1 1 122 122 THR HB H 1 4.292 0.011 . 1 . . . . 122 THR HB . 16672 1 1114 . 1 1 122 122 THR HG21 H 1 1.187 0.009 . 1 . . . . 122 THR QG2 . 16672 1 1115 . 1 1 122 122 THR HG22 H 1 1.187 0.009 . 1 . . . . 122 THR QG2 . 16672 1 1116 . 1 1 122 122 THR HG23 H 1 1.187 0.009 . 1 . . . . 122 THR QG2 . 16672 1 1117 . 1 1 122 122 THR CA C 13 62.691 0.150 . 1 . . . . 122 THR CA . 16672 1 1118 . 1 1 122 122 THR CB C 13 69.789 0.049 . 1 . . . . 122 THR CB . 16672 1 1119 . 1 1 122 122 THR CG2 C 13 21.234 0.132 . 1 . . . . 122 THR CG2 . 16672 1 1120 . 1 1 122 122 THR N N 15 113.596 0.086 . 1 . . . . 122 THR N . 16672 1 1121 . 1 1 123 123 HIS HA H 1 4.577 0.010 . 1 . . . . 123 HIS HA . 16672 1 1122 . 1 1 123 123 HIS HB2 H 1 3.248 0.010 . 2 . . . . 123 HIS HB2 . 16672 1 1123 . 1 1 123 123 HIS HB3 H 1 3.171 0.008 . 2 . . . . 123 HIS HB3 . 16672 1 1124 . 1 1 123 123 HIS CB C 13 29.932 0.051 . 1 . . . . 123 HIS CB . 16672 1 1125 . 1 1 124 124 THR H H 1 7.669 0.017 . 1 . . . . 124 THR H . 16672 1 1126 . 1 1 124 124 THR HA H 1 4.727 0.004 . 1 . . . . 124 THR HA . 16672 1 1127 . 1 1 124 124 THR HB H 1 4.300 0.012 . 1 . . . . 124 THR HB . 16672 1 1128 . 1 1 124 124 THR HG21 H 1 1.285 0.007 . 1 . . . . 124 THR QG2 . 16672 1 1129 . 1 1 124 124 THR HG22 H 1 1.285 0.007 . 1 . . . . 124 THR QG2 . 16672 1 1130 . 1 1 124 124 THR HG23 H 1 1.285 0.007 . 1 . . . . 124 THR QG2 . 16672 1 1131 . 1 1 124 124 THR CA C 13 59.683 0.063 . 1 . . . . 124 THR CA . 16672 1 1132 . 1 1 124 124 THR CB C 13 69.659 0.080 . 1 . . . . 124 THR CB . 16672 1 1133 . 1 1 124 124 THR CG2 C 13 21.037 0.033 . 1 . . . . 124 THR CG2 . 16672 1 1134 . 1 1 124 124 THR N N 15 113.493 0.079 . 1 . . . . 124 THR N . 16672 1 1135 . 1 1 125 125 PRO HA H 1 4.463 0.005 . 1 . . . . 125 PRO HA . 16672 1 1136 . 1 1 125 125 PRO HB2 H 1 2.344 0.005 . 2 . . . . 125 PRO HB2 . 16672 1 1137 . 1 1 125 125 PRO HB3 H 1 1.997 0.002 . 2 . . . . 125 PRO HB3 . 16672 1 1138 . 1 1 125 125 PRO HD2 H 1 3.832 0.007 . 2 . . . . 125 PRO HD2 . 16672 1 1139 . 1 1 125 125 PRO HD3 H 1 3.700 0.003 . 2 . . . . 125 PRO HD3 . 16672 1 1140 . 1 1 125 125 PRO HG2 H 1 2.096 0.011 . 2 . . . . 125 PRO HG2 . 16672 1 1141 . 1 1 125 125 PRO CA C 13 63.833 0.150 . 1 . . . . 125 PRO CA . 16672 1 1142 . 1 1 125 125 PRO CB C 13 31.388 0.104 . 1 . . . . 125 PRO CB . 16672 1 1143 . 1 1 125 125 PRO CD C 13 50.597 0.153 . 1 . . . . 125 PRO CD . 16672 1 1144 . 1 1 125 125 PRO CG C 13 27.056 0.068 . 1 . . . . 125 PRO CG . 16672 1 1145 . 1 1 126 126 ARG H H 1 7.777 0.013 . 1 . . . . 126 ARG H . 16672 1 1146 . 1 1 126 126 ARG HA H 1 4.376 0.007 . 1 . . . . 126 ARG HA . 16672 1 1147 . 1 1 126 126 ARG HB2 H 1 1.958 0.006 . 2 . . . . 126 ARG HB2 . 16672 1 1148 . 1 1 126 126 ARG HB3 H 1 1.814 0.005 . 2 . . . . 126 ARG HB3 . 16672 1 1149 . 1 1 126 126 ARG HD2 H 1 3.212 0.001 . 2 . . . . 126 ARG QD . 16672 1 1150 . 1 1 126 126 ARG HD3 H 1 3.212 0.001 . 2 . . . . 126 ARG QD . 16672 1 1151 . 1 1 126 126 ARG HG2 H 1 1.720 0.003 . 2 . . . . 126 ARG QG . 16672 1 1152 . 1 1 126 126 ARG HG3 H 1 1.720 0.003 . 2 . . . . 126 ARG QG . 16672 1 1153 . 1 1 126 126 ARG CA C 13 56.206 0.113 . 1 . . . . 126 ARG CA . 16672 1 1154 . 1 1 126 126 ARG CB C 13 30.854 0.146 . 1 . . . . 126 ARG CB . 16672 1 1155 . 1 1 126 126 ARG CD C 13 43.257 0.020 . 1 . . . . 126 ARG CD . 16672 1 1156 . 1 1 126 126 ARG CG C 13 27.026 0.150 . 1 . . . . 126 ARG CG . 16672 1 1157 . 1 1 126 126 ARG N N 15 118.515 0.044 . 1 . . . . 126 ARG N . 16672 1 1158 . 1 1 127 127 GLY H H 1 7.951 0.011 . 1 . . . . 127 GLY H . 16672 1 1159 . 1 1 127 127 GLY HA2 H 1 4.023 0.010 . 2 . . . . 127 GLY HA2 . 16672 1 1160 . 1 1 127 127 GLY CA C 13 45.354 0.150 . 1 . . . . 127 GLY CA . 16672 1 1161 . 1 1 127 127 GLY N N 15 107.831 0.109 . 1 . . . . 127 GLY N . 16672 1 1162 . 1 1 128 128 GLY H H 1 7.946 0.008 . 1 . . . . 128 GLY H . 16672 1 1163 . 1 1 128 128 GLY HA2 H 1 4.023 0.010 . 2 . . . . 128 GLY HA2 . 16672 1 1164 . 1 1 128 128 GLY CA C 13 45.354 0.150 . 1 . . . . 128 GLY CA . 16672 1 1165 . 1 1 128 128 GLY N N 15 107.597 0.177 . 1 . . . . 128 GLY N . 16672 1 1166 . 1 1 129 129 GLY H H 1 7.924 0.005 . 1 . . . . 129 GLY H . 16672 1 1167 . 1 1 129 129 GLY HA2 H 1 3.958 0.002 . 2 . . . . 129 GLY HA2 . 16672 1 1168 . 1 1 129 129 GLY CA C 13 45.630 0.042 . 1 . . . . 129 GLY CA . 16672 1 1169 . 1 1 129 129 GLY N N 15 106.755 0.015 . 1 . . . . 129 GLY N . 16672 1 1170 . 1 1 130 130 GLY H H 1 7.921 0.007 . 1 . . . . 130 GLY H . 16672 1 1171 . 1 1 130 130 GLY HA2 H 1 3.922 0.008 . 2 . . . . 130 GLY HA2 . 16672 1 1172 . 1 1 130 130 GLY CA C 13 45.956 0.141 . 1 . . . . 130 GLY CA . 16672 1 1173 . 1 1 130 130 GLY N N 15 106.755 0.015 . 1 . . . . 130 GLY N . 16672 1 1174 . 1 1 131 131 TYR H H 1 7.478 0.013 . 1 . . . . 131 TYR H . 16672 1 1175 . 1 1 131 131 TYR HA H 1 4.492 0.009 . 1 . . . . 131 TYR HA . 16672 1 1176 . 1 1 131 131 TYR HB2 H 1 3.112 0.008 . 2 . . . . 131 TYR QB . 16672 1 1177 . 1 1 131 131 TYR HB3 H 1 3.112 0.008 . 2 . . . . 131 TYR QB . 16672 1 1178 . 1 1 131 131 TYR HD1 H 1 7.136 0.002 . 3 . . . . 131 TYR QD . 16672 1 1179 . 1 1 131 131 TYR HD2 H 1 7.136 0.002 . 3 . . . . 131 TYR QD . 16672 1 1180 . 1 1 131 131 TYR CA C 13 59.602 0.150 . 1 . . . . 131 TYR CA . 16672 1 1181 . 1 1 131 131 TYR CB C 13 38.355 0.123 . 1 . . . . 131 TYR CB . 16672 1 1182 . 1 1 131 131 TYR N N 15 118.944 0.056 . 1 . . . . 131 TYR N . 16672 1 1183 . 1 1 132 132 VAL H H 1 7.356 0.013 . 1 . . . . 132 VAL H . 16672 1 1184 . 1 1 132 132 VAL HA H 1 3.782 0.008 . 1 . . . . 132 VAL HA . 16672 1 1185 . 1 1 132 132 VAL HB H 1 2.108 0.004 . 1 . . . . 132 VAL HB . 16672 1 1186 . 1 1 132 132 VAL HG11 H 1 1.032 0.012 . 2 . . . . 132 VAL QG1 . 16672 1 1187 . 1 1 132 132 VAL HG12 H 1 1.032 0.012 . 2 . . . . 132 VAL QG1 . 16672 1 1188 . 1 1 132 132 VAL HG13 H 1 1.032 0.012 . 2 . . . . 132 VAL QG1 . 16672 1 1189 . 1 1 132 132 VAL HG21 H 1 0.986 0.004 . 2 . . . . 132 VAL QG2 . 16672 1 1190 . 1 1 132 132 VAL HG22 H 1 0.986 0.004 . 2 . . . . 132 VAL QG2 . 16672 1 1191 . 1 1 132 132 VAL HG23 H 1 0.986 0.004 . 2 . . . . 132 VAL QG2 . 16672 1 1192 . 1 1 132 132 VAL CA C 13 65.415 0.069 . 1 . . . . 132 VAL CA . 16672 1 1193 . 1 1 132 132 VAL CB C 13 31.815 0.059 . 1 . . . . 132 VAL CB . 16672 1 1194 . 1 1 132 132 VAL CG1 C 13 20.950 0.084 . 2 . . . . 132 VAL CG1 . 16672 1 1195 . 1 1 132 132 VAL CG2 C 13 20.384 0.192 . 2 . . . . 132 VAL CG2 . 16672 1 1196 . 1 1 132 132 VAL N N 15 118.215 0.049 . 1 . . . . 132 VAL N . 16672 1 1197 . 1 1 133 133 ALA H H 1 7.406 0.012 . 1 . . . . 133 ALA H . 16672 1 1198 . 1 1 133 133 ALA HA H 1 4.101 0.009 . 1 . . . . 133 ALA HA . 16672 1 1199 . 1 1 133 133 ALA HB1 H 1 1.478 0.004 . 1 . . . . 133 ALA QB . 16672 1 1200 . 1 1 133 133 ALA HB2 H 1 1.478 0.004 . 1 . . . . 133 ALA QB . 16672 1 1201 . 1 1 133 133 ALA HB3 H 1 1.478 0.004 . 1 . . . . 133 ALA QB . 16672 1 1202 . 1 1 133 133 ALA CA C 13 54.790 0.057 . 1 . . . . 133 ALA CA . 16672 1 1203 . 1 1 133 133 ALA CB C 13 17.994 0.146 . 1 . . . . 133 ALA CB . 16672 1 1204 . 1 1 133 133 ALA N N 15 121.042 0.035 . 1 . . . . 133 ALA N . 16672 1 1205 . 1 1 134 134 MET H H 1 7.614 0.009 . 1 . . . . 134 MET H . 16672 1 1206 . 1 1 134 134 MET HA H 1 4.284 0.013 . 1 . . . . 134 MET HA . 16672 1 1207 . 1 1 134 134 MET HB2 H 1 2.261 0.006 . 2 . . . . 134 MET HB2 . 16672 1 1208 . 1 1 134 134 MET HB3 H 1 2.198 0.004 . 2 . . . . 134 MET HB3 . 16672 1 1209 . 1 1 134 134 MET HE1 H 1 2.111 0.004 . 1 . . . . 134 MET QE . 16672 1 1210 . 1 1 134 134 MET HE2 H 1 2.111 0.004 . 1 . . . . 134 MET QE . 16672 1 1211 . 1 1 134 134 MET HE3 H 1 2.111 0.004 . 1 . . . . 134 MET QE . 16672 1 1212 . 1 1 134 134 MET HG2 H 1 2.721 0.007 . 2 . . . . 134 MET HG2 . 16672 1 1213 . 1 1 134 134 MET HG3 H 1 2.633 0.013 . 2 . . . . 134 MET HG3 . 16672 1 1214 . 1 1 134 134 MET CA C 13 58.160 0.150 . 1 . . . . 134 MET CA . 16672 1 1215 . 1 1 134 134 MET CB C 13 32.242 0.191 . 1 . . . . 134 MET CB . 16672 1 1216 . 1 1 134 134 MET CE C 13 16.300 0.150 . 1 . . . . 134 MET CE . 16672 1 1217 . 1 1 134 134 MET CG C 13 32.279 0.025 . 1 . . . . 134 MET CG . 16672 1 1218 . 1 1 134 134 MET N N 15 114.581 0.066 . 1 . . . . 134 MET N . 16672 1 1219 . 1 1 135 135 VAL H H 1 7.651 0.011 . 1 . . . . 135 VAL H . 16672 1 1220 . 1 1 135 135 VAL HA H 1 3.840 0.009 . 1 . . . . 135 VAL HA . 16672 1 1221 . 1 1 135 135 VAL HB H 1 2.276 0.009 . 1 . . . . 135 VAL HB . 16672 1 1222 . 1 1 135 135 VAL HG11 H 1 0.995 0.006 . 2 . . . . 135 VAL QG1 . 16672 1 1223 . 1 1 135 135 VAL HG12 H 1 0.995 0.006 . 2 . . . . 135 VAL QG1 . 16672 1 1224 . 1 1 135 135 VAL HG13 H 1 0.995 0.006 . 2 . . . . 135 VAL QG1 . 16672 1 1225 . 1 1 135 135 VAL CA C 13 65.635 0.126 . 1 . . . . 135 VAL CA . 16672 1 1226 . 1 1 135 135 VAL CB C 13 32.068 0.129 . 1 . . . . 135 VAL CB . 16672 1 1227 . 1 1 135 135 VAL CG1 C 13 20.966 0.087 . 2 . . . . 135 VAL CG1 . 16672 1 1228 . 1 1 135 135 VAL N N 15 118.734 0.093 . 1 . . . . 135 VAL N . 16672 1 1229 . 1 1 136 136 ILE H H 1 7.914 0.013 . 1 . . . . 136 ILE H . 16672 1 1230 . 1 1 136 136 ILE HA H 1 3.881 0.008 . 1 . . . . 136 ILE HA . 16672 1 1231 . 1 1 136 136 ILE HB H 1 1.971 0.005 . 1 . . . . 136 ILE HB . 16672 1 1232 . 1 1 136 136 ILE HD11 H 1 0.935 0.015 . 1 . . . . 136 ILE QD1 . 16672 1 1233 . 1 1 136 136 ILE HD12 H 1 0.935 0.015 . 1 . . . . 136 ILE QD1 . 16672 1 1234 . 1 1 136 136 ILE HD13 H 1 0.935 0.015 . 1 . . . . 136 ILE QD1 . 16672 1 1235 . 1 1 136 136 ILE HG12 H 1 1.665 0.008 . 2 . . . . 136 ILE HG12 . 16672 1 1236 . 1 1 136 136 ILE HG13 H 1 1.306 0.007 . 2 . . . . 136 ILE HG13 . 16672 1 1237 . 1 1 136 136 ILE HG21 H 1 0.972 0.009 . 1 . . . . 136 ILE QG2 . 16672 1 1238 . 1 1 136 136 ILE HG22 H 1 0.972 0.009 . 1 . . . . 136 ILE QG2 . 16672 1 1239 . 1 1 136 136 ILE HG23 H 1 0.972 0.009 . 1 . . . . 136 ILE QG2 . 16672 1 1240 . 1 1 136 136 ILE CA C 13 64.511 0.152 . 1 . . . . 136 ILE CA . 16672 1 1241 . 1 1 136 136 ILE CB C 13 38.007 0.152 . 1 . . . . 136 ILE CB . 16672 1 1242 . 1 1 136 136 ILE CD1 C 13 12.190 0.150 . 1 . . . . 136 ILE CD1 . 16672 1 1243 . 1 1 136 136 ILE CG1 C 13 28.343 0.161 . 1 . . . . 136 ILE CG1 . 16672 1 1244 . 1 1 136 136 ILE CG2 C 13 16.727 0.041 . 1 . . . . 136 ILE CG2 . 16672 1 1245 . 1 1 136 136 ILE N N 15 119.422 0.042 . 1 . . . . 136 ILE N . 16672 1 1246 . 1 1 137 137 ASP H H 1 8.129 0.011 . 1 . . . . 137 ASP H . 16672 1 1247 . 1 1 137 137 ASP HA H 1 4.570 0.009 . 1 . . . . 137 ASP HA . 16672 1 1248 . 1 1 137 137 ASP HB2 H 1 2.915 0.008 . 2 . . . . 137 ASP HB2 . 16672 1 1249 . 1 1 137 137 ASP HB3 H 1 2.796 0.004 . 2 . . . . 137 ASP HB3 . 16672 1 1250 . 1 1 137 137 ASP CA C 13 57.060 0.150 . 1 . . . . 137 ASP CA . 16672 1 1251 . 1 1 137 137 ASP CB C 13 40.555 0.144 . 1 . . . . 137 ASP CB . 16672 1 1252 . 1 1 137 137 ASP N N 15 118.607 0.056 . 1 . . . . 137 ASP N . 16672 1 1253 . 1 1 138 138 ARG H H 1 7.690 0.007 . 1 . . . . 138 ARG H . 16672 1 1254 . 1 1 138 138 ARG HA H 1 4.235 0.007 . 1 . . . . 138 ARG HA . 16672 1 1255 . 1 1 138 138 ARG HB2 H 1 2.033 0.012 . 2 . . . . 138 ARG HB2 . 16672 1 1256 . 1 1 138 138 ARG HB3 H 1 1.978 0.010 . 2 . . . . 138 ARG HB3 . 16672 1 1257 . 1 1 138 138 ARG HD2 H 1 3.239 0.012 . 2 . . . . 138 ARG QD . 16672 1 1258 . 1 1 138 138 ARG HD3 H 1 3.239 0.012 . 2 . . . . 138 ARG QD . 16672 1 1259 . 1 1 138 138 ARG HG2 H 1 1.833 0.006 . 2 . . . . 138 ARG HG2 . 16672 1 1260 . 1 1 138 138 ARG CA C 13 58.314 0.057 . 1 . . . . 138 ARG CA . 16672 1 1261 . 1 1 138 138 ARG CB C 13 29.987 0.093 . 1 . . . . 138 ARG CB . 16672 1 1262 . 1 1 138 138 ARG CD C 13 43.315 0.150 . 1 . . . . 138 ARG CD . 16672 1 1263 . 1 1 138 138 ARG CG C 13 26.907 0.150 . 1 . . . . 138 ARG CG . 16672 1 1264 . 1 1 138 138 ARG N N 15 116.935 0.070 . 1 . . . . 138 ARG N . 16672 1 1265 . 1 1 139 139 LEU H H 1 8.173 0.017 . 1 . . . . 139 LEU H . 16672 1 1266 . 1 1 139 139 LEU HA H 1 4.337 0.005 . 1 . . . . 139 LEU HA . 16672 1 1267 . 1 1 139 139 LEU HB2 H 1 1.807 0.008 . 2 . . . . 139 LEU HB2 . 16672 1 1268 . 1 1 139 139 LEU HD11 H 1 0.949 0.002 . 2 . . . . 139 LEU QD1 . 16672 1 1269 . 1 1 139 139 LEU HD12 H 1 0.949 0.002 . 2 . . . . 139 LEU QD1 . 16672 1 1270 . 1 1 139 139 LEU HD13 H 1 0.949 0.002 . 2 . . . . 139 LEU QD1 . 16672 1 1271 . 1 1 139 139 LEU HD21 H 1 0.886 0.010 . 2 . . . . 139 LEU QD2 . 16672 1 1272 . 1 1 139 139 LEU HD22 H 1 0.886 0.010 . 2 . . . . 139 LEU QD2 . 16672 1 1273 . 1 1 139 139 LEU HD23 H 1 0.886 0.010 . 2 . . . . 139 LEU QD2 . 16672 1 1274 . 1 1 139 139 LEU HG H 1 1.780 0.010 . 1 . . . . 139 LEU HG . 16672 1 1275 . 1 1 139 139 LEU CA C 13 57.876 0.173 . 1 . . . . 139 LEU CA . 16672 1 1276 . 1 1 139 139 LEU CB C 13 42.215 0.115 . 1 . . . . 139 LEU CB . 16672 1 1277 . 1 1 139 139 LEU CD1 C 13 23.736 0.002 . 2 . . . . 139 LEU CD1 . 16672 1 1278 . 1 1 139 139 LEU CD2 C 13 23.043 0.150 . 2 . . . . 139 LEU CD2 . 16672 1 1279 . 1 1 139 139 LEU CG C 13 27.080 0.006 . 1 . . . . 139 LEU CG . 16672 1 1280 . 1 1 139 139 LEU N N 15 120.668 0.045 . 1 . . . . 139 LEU N . 16672 1 1281 . 1 1 140 140 PHE H H 1 8.201 0.015 . 1 . . . . 140 PHE H . 16672 1 1282 . 1 1 140 140 PHE HA H 1 4.441 0.005 . 1 . . . . 140 PHE HA . 16672 1 1283 . 1 1 140 140 PHE HB2 H 1 3.250 0.003 . 2 . . . . 140 PHE QB . 16672 1 1284 . 1 1 140 140 PHE HB3 H 1 3.250 0.003 . 2 . . . . 140 PHE QB . 16672 1 1285 . 1 1 140 140 PHE HD1 H 1 7.256 0.008 . 3 . . . . 140 PHE QD . 16672 1 1286 . 1 1 140 140 PHE HD2 H 1 7.256 0.008 . 3 . . . . 140 PHE QD . 16672 1 1287 . 1 1 140 140 PHE CA C 13 60.671 0.117 . 1 . . . . 140 PHE CA . 16672 1 1288 . 1 1 140 140 PHE CB C 13 38.857 0.053 . 1 . . . . 140 PHE CB . 16672 1 1289 . 1 1 140 140 PHE N N 15 116.829 0.086 . 1 . . . . 140 PHE N . 16672 1 1290 . 1 1 141 141 LEU H H 1 7.830 0.013 . 1 . . . . 141 LEU H . 16672 1 1291 . 1 1 141 141 LEU HA H 1 4.275 0.007 . 1 . . . . 141 LEU HA . 16672 1 1292 . 1 1 141 141 LEU HB2 H 1 1.847 0.008 . 2 . . . . 141 LEU HB2 . 16672 1 1293 . 1 1 141 141 LEU HD21 H 1 0.942 0.005 . 2 . . . . 141 LEU QD2 . 16672 1 1294 . 1 1 141 141 LEU HD22 H 1 0.942 0.005 . 2 . . . . 141 LEU QD2 . 16672 1 1295 . 1 1 141 141 LEU HD23 H 1 0.942 0.005 . 2 . . . . 141 LEU QD2 . 16672 1 1296 . 1 1 141 141 LEU HG H 1 1.826 0.001 . 1 . . . . 141 LEU HG . 16672 1 1297 . 1 1 141 141 LEU CA C 13 58.137 0.029 . 1 . . . . 141 LEU CA . 16672 1 1298 . 1 1 141 141 LEU CB C 13 42.245 0.124 . 1 . . . . 141 LEU CB . 16672 1 1299 . 1 1 141 141 LEU CD2 C 13 24.532 0.125 . 2 . . . . 141 LEU CD2 . 16672 1 1300 . 1 1 141 141 LEU CG C 13 27.120 0.030 . 1 . . . . 141 LEU CG . 16672 1 1301 . 1 1 141 141 LEU N N 15 119.428 0.168 . 1 . . . . 141 LEU N . 16672 1 1302 . 1 1 142 142 TRP H H 1 7.885 0.010 . 1 . . . . 142 TRP H . 16672 1 1303 . 1 1 142 142 TRP HA H 1 4.452 0.011 . 1 . . . . 142 TRP HA . 16672 1 1304 . 1 1 142 142 TRP HB2 H 1 3.526 0.015 . 2 . . . . 142 TRP HB2 . 16672 1 1305 . 1 1 142 142 TRP HB3 H 1 3.475 0.009 . 2 . . . . 142 TRP HB3 . 16672 1 1306 . 1 1 142 142 TRP HD1 H 1 7.165 0.010 . 1 . . . . 142 TRP HD1 . 16672 1 1307 . 1 1 142 142 TRP HE1 H 1 8.917 0.005 . 1 . . . . 142 TRP HE1 . 16672 1 1308 . 1 1 142 142 TRP HZ2 H 1 7.283 0.010 . 1 . . . . 142 TRP HZ2 . 16672 1 1309 . 1 1 142 142 TRP CA C 13 60.452 0.150 . 1 . . . . 142 TRP CA . 16672 1 1310 . 1 1 142 142 TRP CB C 13 28.889 0.112 . 1 . . . . 142 TRP CB . 16672 1 1311 . 1 1 142 142 TRP N N 15 117.782 0.234 . 1 . . . . 142 TRP N . 16672 1 1312 . 1 1 142 142 TRP NE1 N 15 124.433 0.045 . 1 . . . . 142 TRP NE1 . 16672 1 1313 . 1 1 143 143 ILE H H 1 8.019 0.009 . 1 . . . . 143 ILE H . 16672 1 1314 . 1 1 143 143 ILE HA H 1 3.697 0.010 . 1 . . . . 143 ILE HA . 16672 1 1315 . 1 1 143 143 ILE HB H 1 1.898 0.007 . 1 . . . . 143 ILE HB . 16672 1 1316 . 1 1 143 143 ILE HD11 H 1 0.884 0.010 . 1 . . . . 143 ILE QD1 . 16672 1 1317 . 1 1 143 143 ILE HD12 H 1 0.884 0.010 . 1 . . . . 143 ILE QD1 . 16672 1 1318 . 1 1 143 143 ILE HD13 H 1 0.884 0.010 . 1 . . . . 143 ILE QD1 . 16672 1 1319 . 1 1 143 143 ILE HG12 H 1 1.715 0.013 . 2 . . . . 143 ILE HG12 . 16672 1 1320 . 1 1 143 143 ILE HG13 H 1 1.116 0.009 . 2 . . . . 143 ILE HG13 . 16672 1 1321 . 1 1 143 143 ILE HG21 H 1 0.905 0.010 . 1 . . . . 143 ILE QG2 . 16672 1 1322 . 1 1 143 143 ILE HG22 H 1 0.905 0.010 . 1 . . . . 143 ILE QG2 . 16672 1 1323 . 1 1 143 143 ILE HG23 H 1 0.905 0.010 . 1 . . . . 143 ILE QG2 . 16672 1 1324 . 1 1 143 143 ILE CA C 13 65.010 0.039 . 1 . . . . 143 ILE CA . 16672 1 1325 . 1 1 143 143 ILE CB C 13 38.113 0.195 . 1 . . . . 143 ILE CB . 16672 1 1326 . 1 1 143 143 ILE CD1 C 13 12.030 0.079 . 1 . . . . 143 ILE CD1 . 16672 1 1327 . 1 1 143 143 ILE CG1 C 13 28.587 0.045 . 1 . . . . 143 ILE CG1 . 16672 1 1328 . 1 1 143 143 ILE CG2 C 13 16.569 0.088 . 1 . . . . 143 ILE CG2 . 16672 1 1329 . 1 1 143 143 ILE N N 15 118.787 0.101 . 1 . . . . 143 ILE N . 16672 1 1330 . 1 1 144 144 PHE H H 1 8.037 0.009 . 1 . . . . 144 PHE H . 16672 1 1331 . 1 1 144 144 PHE HA H 1 4.242 0.011 . 1 . . . . 144 PHE HA . 16672 1 1332 . 1 1 144 144 PHE HB2 H 1 3.259 0.006 . 2 . . . . 144 PHE HB2 . 16672 1 1333 . 1 1 144 144 PHE HB3 H 1 3.135 0.009 . 2 . . . . 144 PHE HB3 . 16672 1 1334 . 1 1 144 144 PHE CA C 13 61.643 0.134 . 1 . . . . 144 PHE CA . 16672 1 1335 . 1 1 144 144 PHE CB C 13 39.012 0.098 . 1 . . . . 144 PHE CB . 16672 1 1336 . 1 1 144 144 PHE N N 15 119.551 0.105 . 1 . . . . 144 PHE N . 16672 1 1337 . 1 1 145 145 VAL H H 1 8.292 0.012 . 1 . . . . 145 VAL H . 16672 1 1338 . 1 1 145 145 VAL HA H 1 3.471 0.010 . 1 . . . . 145 VAL HA . 16672 1 1339 . 1 1 145 145 VAL HB H 1 2.159 0.005 . 1 . . . . 145 VAL HB . 16672 1 1340 . 1 1 145 145 VAL HG11 H 1 1.154 0.003 . 2 . . . . 145 VAL QG1 . 16672 1 1341 . 1 1 145 145 VAL HG12 H 1 1.154 0.003 . 2 . . . . 145 VAL QG1 . 16672 1 1342 . 1 1 145 145 VAL HG13 H 1 1.154 0.003 . 2 . . . . 145 VAL QG1 . 16672 1 1343 . 1 1 145 145 VAL HG21 H 1 0.827 0.014 . 2 . . . . 145 VAL QG2 . 16672 1 1344 . 1 1 145 145 VAL HG22 H 1 0.827 0.014 . 2 . . . . 145 VAL QG2 . 16672 1 1345 . 1 1 145 145 VAL HG23 H 1 0.827 0.014 . 2 . . . . 145 VAL QG2 . 16672 1 1346 . 1 1 145 145 VAL CA C 13 67.124 0.128 . 1 . . . . 145 VAL CA . 16672 1 1347 . 1 1 145 145 VAL CB C 13 31.852 0.086 . 1 . . . . 145 VAL CB . 16672 1 1348 . 1 1 145 145 VAL CG1 C 13 22.098 0.050 . 2 . . . . 145 VAL CG1 . 16672 1 1349 . 1 1 145 145 VAL CG2 C 13 20.550 0.056 . 2 . . . . 145 VAL CG2 . 16672 1 1350 . 1 1 145 145 VAL N N 15 118.671 0.066 . 1 . . . . 145 VAL N . 16672 1 1351 . 1 1 146 146 PHE H H 1 8.201 0.011 . 1 . . . . 146 PHE H . 16672 1 1352 . 1 1 146 146 PHE HA H 1 4.116 0.006 . 1 . . . . 146 PHE HA . 16672 1 1353 . 1 1 146 146 PHE HB2 H 1 3.070 0.004 . 2 . . . . 146 PHE HB2 . 16672 1 1354 . 1 1 146 146 PHE HB3 H 1 2.832 0.004 . 2 . . . . 146 PHE HB3 . 16672 1 1355 . 1 1 146 146 PHE HD1 H 1 7.103 0.010 . 3 . . . . 146 PHE QD . 16672 1 1356 . 1 1 146 146 PHE HD2 H 1 7.103 0.010 . 3 . . . . 146 PHE QD . 16672 1 1357 . 1 1 146 146 PHE CA C 13 61.953 0.125 . 1 . . . . 146 PHE CA . 16672 1 1358 . 1 1 146 146 PHE CB C 13 38.884 0.145 . 1 . . . . 146 PHE CB . 16672 1 1359 . 1 1 146 146 PHE N N 15 119.298 0.101 . 1 . . . . 146 PHE N . 16672 1 1360 . 1 1 147 147 VAL H H 1 8.587 0.007 . 1 . . . . 147 VAL H . 16672 1 1361 . 1 1 147 147 VAL HA H 1 3.650 0.011 . 1 . . . . 147 VAL HA . 16672 1 1362 . 1 1 147 147 VAL HB H 1 2.288 0.007 . 1 . . . . 147 VAL HB . 16672 1 1363 . 1 1 147 147 VAL HG11 H 1 1.143 0.008 . 2 . . . . 147 VAL QG1 . 16672 1 1364 . 1 1 147 147 VAL HG12 H 1 1.143 0.008 . 2 . . . . 147 VAL QG1 . 16672 1 1365 . 1 1 147 147 VAL HG13 H 1 1.143 0.008 . 2 . . . . 147 VAL QG1 . 16672 1 1366 . 1 1 147 147 VAL HG21 H 1 0.985 0.003 . 2 . . . . 147 VAL QG2 . 16672 1 1367 . 1 1 147 147 VAL HG22 H 1 0.985 0.003 . 2 . . . . 147 VAL QG2 . 16672 1 1368 . 1 1 147 147 VAL HG23 H 1 0.985 0.003 . 2 . . . . 147 VAL QG2 . 16672 1 1369 . 1 1 147 147 VAL CA C 13 66.563 0.066 . 1 . . . . 147 VAL CA . 16672 1 1370 . 1 1 147 147 VAL CB C 13 31.872 0.068 . 1 . . . . 147 VAL CB . 16672 1 1371 . 1 1 147 147 VAL CG1 C 13 21.975 0.086 . 2 . . . . 147 VAL CG1 . 16672 1 1372 . 1 1 147 147 VAL CG2 C 13 20.466 0.069 . 2 . . . . 147 VAL CG2 . 16672 1 1373 . 1 1 147 147 VAL N N 15 117.968 0.036 . 1 . . . . 147 VAL N . 16672 1 1374 . 1 1 148 148 CYS H H 1 8.034 0.010 . 1 . . . . 148 CYS H . 16672 1 1375 . 1 1 148 148 CYS HA H 1 4.097 0.009 . 1 . . . . 148 CYS HA . 16672 1 1376 . 1 1 148 148 CYS HB2 H 1 2.926 0.008 . 2 . . . . 148 CYS HB2 . 16672 1 1377 . 1 1 148 148 CYS HB3 H 1 2.668 0.006 . 2 . . . . 148 CYS HB3 . 16672 1 1378 . 1 1 148 148 CYS CA C 13 63.170 0.067 . 1 . . . . 148 CYS CA . 16672 1 1379 . 1 1 148 148 CYS CB C 13 26.555 0.105 . 1 . . . . 148 CYS CB . 16672 1 1380 . 1 1 148 148 CYS N N 15 117.816 0.143 . 1 . . . . 148 CYS N . 16672 1 1381 . 1 1 149 149 VAL H H 1 8.325 0.012 . 1 . . . . 149 VAL H . 16672 1 1382 . 1 1 149 149 VAL HA H 1 3.696 0.009 . 1 . . . . 149 VAL HA . 16672 1 1383 . 1 1 149 149 VAL HB H 1 2.120 0.005 . 1 . . . . 149 VAL HB . 16672 1 1384 . 1 1 149 149 VAL HG11 H 1 0.878 0.007 . 2 . . . . 149 VAL QG1 . 16672 1 1385 . 1 1 149 149 VAL HG12 H 1 0.878 0.007 . 2 . . . . 149 VAL QG1 . 16672 1 1386 . 1 1 149 149 VAL HG13 H 1 0.878 0.007 . 2 . . . . 149 VAL QG1 . 16672 1 1387 . 1 1 149 149 VAL HG21 H 1 0.689 0.007 . 2 . . . . 149 VAL QG2 . 16672 1 1388 . 1 1 149 149 VAL HG22 H 1 0.689 0.007 . 2 . . . . 149 VAL QG2 . 16672 1 1389 . 1 1 149 149 VAL HG23 H 1 0.689 0.007 . 2 . . . . 149 VAL QG2 . 16672 1 1390 . 1 1 149 149 VAL CA C 13 66.409 0.042 . 1 . . . . 149 VAL CA . 16672 1 1391 . 1 1 149 149 VAL CB C 13 31.841 0.184 . 1 . . . . 149 VAL CB . 16672 1 1392 . 1 1 149 149 VAL CG1 C 13 21.730 0.150 . 2 . . . . 149 VAL CG1 . 16672 1 1393 . 1 1 149 149 VAL CG2 C 13 20.000 0.048 . 2 . . . . 149 VAL CG2 . 16672 1 1394 . 1 1 149 149 VAL N N 15 121.138 0.067 . 1 . . . . 149 VAL N . 16672 1 1395 . 1 1 150 150 PHE H H 1 8.621 0.013 . 1 . . . . 150 PHE H . 16672 1 1396 . 1 1 150 150 PHE HA H 1 4.234 0.010 . 1 . . . . 150 PHE HA . 16672 1 1397 . 1 1 150 150 PHE HB2 H 1 2.964 0.006 . 2 . . . . 150 PHE HB2 . 16672 1 1398 . 1 1 150 150 PHE HB3 H 1 2.847 0.005 . 2 . . . . 150 PHE HB3 . 16672 1 1399 . 1 1 150 150 PHE HD1 H 1 7.078 0.010 . 3 . . . . 150 PHE QD . 16672 1 1400 . 1 1 150 150 PHE HD2 H 1 7.078 0.010 . 3 . . . . 150 PHE QD . 16672 1 1401 . 1 1 150 150 PHE CA C 13 61.032 0.114 . 1 . . . . 150 PHE CA . 16672 1 1402 . 1 1 150 150 PHE CB C 13 38.476 0.137 . 1 . . . . 150 PHE CB . 16672 1 1403 . 1 1 150 150 PHE N N 15 119.540 0.087 . 1 . . . . 150 PHE N . 16672 1 1404 . 1 1 151 151 GLY H H 1 8.041 0.011 . 1 . . . . 151 GLY H . 16672 1 1405 . 1 1 151 151 GLY HA2 H 1 3.939 0.007 . 2 . . . . 151 GLY HA2 . 16672 1 1406 . 1 1 151 151 GLY HA3 H 1 3.785 0.003 . 2 . . . . 151 GLY HA3 . 16672 1 1407 . 1 1 151 151 GLY CA C 13 46.682 0.081 . 1 . . . . 151 GLY CA . 16672 1 1408 . 1 1 151 151 GLY N N 15 105.789 0.112 . 1 . . . . 151 GLY N . 16672 1 1409 . 1 1 152 152 THR H H 1 7.612 0.011 . 1 . . . . 152 THR H . 16672 1 1410 . 1 1 152 152 THR HA H 1 4.207 0.006 . 1 . . . . 152 THR HA . 16672 1 1411 . 1 1 152 152 THR HB H 1 4.336 0.012 . 1 . . . . 152 THR HB . 16672 1 1412 . 1 1 152 152 THR HG21 H 1 1.285 0.004 . 1 . . . . 152 THR QG2 . 16672 1 1413 . 1 1 152 152 THR HG22 H 1 1.285 0.004 . 1 . . . . 152 THR QG2 . 16672 1 1414 . 1 1 152 152 THR HG23 H 1 1.285 0.004 . 1 . . . . 152 THR QG2 . 16672 1 1415 . 1 1 152 152 THR CA C 13 65.063 0.103 . 1 . . . . 152 THR CA . 16672 1 1416 . 1 1 152 152 THR CB C 13 69.500 0.150 . 1 . . . . 152 THR CB . 16672 1 1417 . 1 1 152 152 THR CG2 C 13 21.002 0.074 . 1 . . . . 152 THR CG2 . 16672 1 1418 . 1 1 152 152 THR N N 15 114.697 0.026 . 1 . . . . 152 THR N . 16672 1 1419 . 1 1 153 153 ILE H H 1 7.983 0.013 . 1 . . . . 153 ILE H . 16672 1 1420 . 1 1 153 153 ILE HA H 1 4.037 0.008 . 1 . . . . 153 ILE HA . 16672 1 1421 . 1 1 153 153 ILE HB H 1 1.981 0.004 . 1 . . . . 153 ILE HB . 16672 1 1422 . 1 1 153 153 ILE HD11 H 1 0.873 0.003 . 1 . . . . 153 ILE QD1 . 16672 1 1423 . 1 1 153 153 ILE HD12 H 1 0.873 0.003 . 1 . . . . 153 ILE QD1 . 16672 1 1424 . 1 1 153 153 ILE HD13 H 1 0.873 0.003 . 1 . . . . 153 ILE QD1 . 16672 1 1425 . 1 1 153 153 ILE HG12 H 1 1.638 0.007 . 2 . . . . 153 ILE HG12 . 16672 1 1426 . 1 1 153 153 ILE HG13 H 1 1.257 0.011 . 2 . . . . 153 ILE HG13 . 16672 1 1427 . 1 1 153 153 ILE HG21 H 1 0.977 0.004 . 1 . . . . 153 ILE QG2 . 16672 1 1428 . 1 1 153 153 ILE HG22 H 1 0.977 0.004 . 1 . . . . 153 ILE QG2 . 16672 1 1429 . 1 1 153 153 ILE HG23 H 1 0.977 0.004 . 1 . . . . 153 ILE QG2 . 16672 1 1430 . 1 1 153 153 ILE CA C 13 64.436 0.087 . 1 . . . . 153 ILE CA . 16672 1 1431 . 1 1 153 153 ILE CB C 13 38.310 0.105 . 1 . . . . 153 ILE CB . 16672 1 1432 . 1 1 153 153 ILE CD1 C 13 12.204 0.120 . 1 . . . . 153 ILE CD1 . 16672 1 1433 . 1 1 153 153 ILE CG1 C 13 28.284 0.024 . 1 . . . . 153 ILE CG1 . 16672 1 1434 . 1 1 153 153 ILE CG2 C 13 16.750 0.054 . 1 . . . . 153 ILE CG2 . 16672 1 1435 . 1 1 153 153 ILE N N 15 120.255 0.073 . 1 . . . . 153 ILE N . 16672 1 1436 . 1 1 154 154 GLY H H 1 8.024 0.008 . 1 . . . . 154 GLY H . 16672 1 1437 . 1 1 154 154 GLY HA2 H 1 3.786 0.004 . 2 . . . . 154 GLY HA2 . 16672 1 1438 . 1 1 154 154 GLY HA3 H 1 3.779 0.007 . 2 . . . . 154 GLY HA3 . 16672 1 1439 . 1 1 154 154 GLY CA C 13 46.829 0.178 . 1 . . . . 154 GLY CA . 16672 1 1440 . 1 1 154 154 GLY N N 15 105.994 0.107 . 1 . . . . 154 GLY N . 16672 1 1441 . 1 1 155 155 MET H H 1 7.747 0.010 . 1 . . . . 155 MET H . 16672 1 1442 . 1 1 155 155 MET HA H 1 4.254 0.013 . 1 . . . . 155 MET HA . 16672 1 1443 . 1 1 155 155 MET HB2 H 1 2.086 0.010 . 2 . . . . 155 MET HB2 . 16672 1 1444 . 1 1 155 155 MET HB3 H 1 1.969 0.007 . 2 . . . . 155 MET HB3 . 16672 1 1445 . 1 1 155 155 MET HE1 H 1 2.002 0.003 . 1 . . . . 155 MET QE . 16672 1 1446 . 1 1 155 155 MET HE2 H 1 2.002 0.003 . 1 . . . . 155 MET QE . 16672 1 1447 . 1 1 155 155 MET HE3 H 1 2.002 0.003 . 1 . . . . 155 MET QE . 16672 1 1448 . 1 1 155 155 MET HG2 H 1 2.462 0.017 . 2 . . . . 155 MET HG2 . 16672 1 1449 . 1 1 155 155 MET HG3 H 1 2.415 0.001 . 2 . . . . 155 MET HG3 . 16672 1 1450 . 1 1 155 155 MET CA C 13 57.932 0.121 . 1 . . . . 155 MET CA . 16672 1 1451 . 1 1 155 155 MET CB C 13 31.851 0.097 . 1 . . . . 155 MET CB . 16672 1 1452 . 1 1 155 155 MET CE C 13 16.084 0.133 . 1 . . . . 155 MET CE . 16672 1 1453 . 1 1 155 155 MET CG C 13 31.959 0.084 . 1 . . . . 155 MET CG . 16672 1 1454 . 1 1 155 155 MET N N 15 118.450 0.044 . 1 . . . . 155 MET N . 16672 1 1455 . 1 1 156 156 PHE H H 1 7.832 0.017 . 1 . . . . 156 PHE H . 16672 1 1456 . 1 1 156 156 PHE HA H 1 4.520 0.007 . 1 . . . . 156 PHE HA . 16672 1 1457 . 1 1 156 156 PHE HB2 H 1 3.306 0.003 . 2 . . . . 156 PHE HB2 . 16672 1 1458 . 1 1 156 156 PHE HB3 H 1 3.166 0.008 . 2 . . . . 156 PHE HB3 . 16672 1 1459 . 1 1 156 156 PHE HD1 H 1 7.279 0.010 . 3 . . . . 156 PHE QD . 16672 1 1460 . 1 1 156 156 PHE HD2 H 1 7.279 0.010 . 3 . . . . 156 PHE QD . 16672 1 1461 . 1 1 156 156 PHE CA C 13 60.926 0.150 . 1 . . . . 156 PHE CA . 16672 1 1462 . 1 1 156 156 PHE CB C 13 39.049 0.125 . 1 . . . . 156 PHE CB . 16672 1 1463 . 1 1 156 156 PHE N N 15 117.958 0.086 . 1 . . . . 156 PHE N . 16672 1 1464 . 1 1 157 157 LEU H H 1 7.780 0.010 . 1 . . . . 157 LEU H . 16672 1 1465 . 1 1 157 157 LEU HA H 1 4.423 0.003 . 1 . . . . 157 LEU HA . 16672 1 1466 . 1 1 157 157 LEU HB2 H 1 1.828 0.005 . 2 . . . . 157 LEU HB2 . 16672 1 1467 . 1 1 157 157 LEU HB3 H 1 1.677 0.004 . 2 . . . . 157 LEU HB3 . 16672 1 1468 . 1 1 157 157 LEU HD11 H 1 0.925 0.013 . 2 . . . . 157 LEU QD1 . 16672 1 1469 . 1 1 157 157 LEU HD12 H 1 0.925 0.013 . 2 . . . . 157 LEU QD1 . 16672 1 1470 . 1 1 157 157 LEU HD13 H 1 0.925 0.013 . 2 . . . . 157 LEU QD1 . 16672 1 1471 . 1 1 157 157 LEU HG H 1 1.843 0.010 . 1 . . . . 157 LEU HG . 16672 1 1472 . 1 1 157 157 LEU CA C 13 55.446 0.110 . 1 . . . . 157 LEU CA . 16672 1 1473 . 1 1 157 157 LEU CB C 13 42.207 0.060 . 1 . . . . 157 LEU CB . 16672 1 1474 . 1 1 157 157 LEU CD1 C 13 22.615 0.150 . 2 . . . . 157 LEU CD1 . 16672 1 1475 . 1 1 157 157 LEU CG C 13 26.961 0.150 . 1 . . . . 157 LEU CG . 16672 1 1476 . 1 1 157 157 LEU N N 15 117.606 0.174 . 1 . . . . 157 LEU N . 16672 1 1477 . 1 1 158 158 GLN H H 1 7.608 0.007 . 1 . . . . 158 GLN H . 16672 1 1478 . 1 1 158 158 GLN HA H 1 4.334 0.007 . 1 . . . . 158 GLN HA . 16672 1 1479 . 1 1 158 158 GLN HB2 H 1 2.229 0.004 . 2 . . . . 158 GLN QB . 16672 1 1480 . 1 1 158 158 GLN HB3 H 1 2.229 0.004 . 2 . . . . 158 GLN QB . 16672 1 1481 . 1 1 158 158 GLN HE21 H 1 7.157 0.005 . 2 . . . . 158 GLN HE21 . 16672 1 1482 . 1 1 158 158 GLN HE22 H 1 6.204 0.010 . 2 . . . . 158 GLN HE22 . 16672 1 1483 . 1 1 158 158 GLN HG2 H 1 2.548 0.007 . 2 . . . . 158 GLN HG2 . 16672 1 1484 . 1 1 158 158 GLN HG3 H 1 2.520 0.010 . 2 . . . . 158 GLN HG3 . 16672 1 1485 . 1 1 158 158 GLN CA C 13 58.442 0.148 . 1 . . . . 158 GLN CA . 16672 1 1486 . 1 1 158 158 GLN CB C 13 27.562 0.121 . 1 . . . . 158 GLN CB . 16672 1 1487 . 1 1 158 158 GLN CG C 13 33.764 0.144 . 1 . . . . 158 GLN CG . 16672 1 1488 . 1 1 158 158 GLN N N 15 118.202 0.063 . 1 . . . . 158 GLN N . 16672 1 1489 . 1 1 158 158 GLN NE2 N 15 108.383 0.028 . 1 . . . . 158 GLN NE2 . 16672 1 1490 . 1 1 159 159 PRO HA H 1 4.345 0.003 . 1 . . . . 159 PRO HA . 16672 1 1491 . 1 1 159 159 PRO HB2 H 1 2.306 0.011 . 2 . . . . 159 PRO HB2 . 16672 1 1492 . 1 1 159 159 PRO HB3 H 1 1.779 0.005 . 2 . . . . 159 PRO HB3 . 16672 1 1493 . 1 1 159 159 PRO HD2 H 1 3.741 0.007 . 2 . . . . 159 PRO HD2 . 16672 1 1494 . 1 1 159 159 PRO HD3 H 1 3.593 0.006 . 2 . . . . 159 PRO HD3 . 16672 1 1495 . 1 1 159 159 PRO HG2 H 1 2.088 0.004 . 2 . . . . 159 PRO HG2 . 16672 1 1496 . 1 1 159 159 PRO HG3 H 1 1.965 0.002 . 2 . . . . 159 PRO HG3 . 16672 1 1497 . 1 1 159 159 PRO CA C 13 65.326 0.065 . 1 . . . . 159 PRO CA . 16672 1 1498 . 1 1 159 159 PRO CB C 13 31.064 0.156 . 1 . . . . 159 PRO CB . 16672 1 1499 . 1 1 159 159 PRO CD C 13 50.496 0.107 . 1 . . . . 159 PRO CD . 16672 1 1500 . 1 1 159 159 PRO CG C 13 27.655 0.101 . 1 . . . . 159 PRO CG . 16672 1 1501 . 1 1 160 160 LEU H H 1 7.495 0.010 . 1 . . . . 160 LEU H . 16672 1 1502 . 1 1 160 160 LEU HA H 1 4.184 0.006 . 1 . . . . 160 LEU HA . 16672 1 1503 . 1 1 160 160 LEU HB2 H 1 1.654 0.007 . 2 . . . . 160 LEU HB2 . 16672 1 1504 . 1 1 160 160 LEU HB3 H 1 1.440 0.005 . 2 . . . . 160 LEU HB3 . 16672 1 1505 . 1 1 160 160 LEU HD11 H 1 0.923 0.005 . 2 . . . . 160 LEU QD1 . 16672 1 1506 . 1 1 160 160 LEU HD12 H 1 0.923 0.005 . 2 . . . . 160 LEU QD1 . 16672 1 1507 . 1 1 160 160 LEU HD13 H 1 0.923 0.005 . 2 . . . . 160 LEU QD1 . 16672 1 1508 . 1 1 160 160 LEU HD21 H 1 0.826 0.005 . 2 . . . . 160 LEU QD2 . 16672 1 1509 . 1 1 160 160 LEU HD22 H 1 0.826 0.005 . 2 . . . . 160 LEU QD2 . 16672 1 1510 . 1 1 160 160 LEU HD23 H 1 0.826 0.005 . 2 . . . . 160 LEU QD2 . 16672 1 1511 . 1 1 160 160 LEU HG H 1 1.577 0.008 . 1 . . . . 160 LEU HG . 16672 1 1512 . 1 1 160 160 LEU CA C 13 56.727 0.032 . 1 . . . . 160 LEU CA . 16672 1 1513 . 1 1 160 160 LEU CB C 13 41.887 0.083 . 1 . . . . 160 LEU CB . 16672 1 1514 . 1 1 160 160 LEU CD1 C 13 24.030 0.150 . 2 . . . . 160 LEU CD1 . 16672 1 1515 . 1 1 160 160 LEU CD2 C 13 22.679 0.180 . 2 . . . . 160 LEU CD2 . 16672 1 1516 . 1 1 160 160 LEU CG C 13 27.096 0.113 . 1 . . . . 160 LEU CG . 16672 1 1517 . 1 1 160 160 LEU N N 15 116.106 0.090 . 1 . . . . 160 LEU N . 16672 1 1518 . 1 1 161 161 PHE H H 1 7.652 0.015 . 1 . . . . 161 PHE H . 16672 1 1519 . 1 1 161 161 PHE HA H 1 4.628 0.004 . 1 . . . . 161 PHE HA . 16672 1 1520 . 1 1 161 161 PHE HB2 H 1 3.327 0.011 . 2 . . . . 161 PHE HB2 . 16672 1 1521 . 1 1 161 161 PHE HB3 H 1 3.044 0.004 . 2 . . . . 161 PHE HB3 . 16672 1 1522 . 1 1 161 161 PHE HD1 H 1 7.251 0.013 . 3 . . . . 161 PHE QD . 16672 1 1523 . 1 1 161 161 PHE HD2 H 1 7.251 0.013 . 3 . . . . 161 PHE QD . 16672 1 1524 . 1 1 161 161 PHE CA C 13 57.920 0.175 . 1 . . . . 161 PHE CA . 16672 1 1525 . 1 1 161 161 PHE CB C 13 39.160 0.122 . 1 . . . . 161 PHE CB . 16672 1 1526 . 1 1 161 161 PHE N N 15 116.888 0.043 . 1 . . . . 161 PHE N . 16672 1 1527 . 1 1 162 162 GLN H H 1 7.786 0.009 . 1 . . . . 162 GLN H . 16672 1 1528 . 1 1 162 162 GLN HA H 1 4.341 0.004 . 1 . . . . 162 GLN HA . 16672 1 1529 . 1 1 162 162 GLN HB2 H 1 2.166 0.008 . 2 . . . . 162 GLN HB2 . 16672 1 1530 . 1 1 162 162 GLN HB3 H 1 2.025 0.006 . 2 . . . . 162 GLN HB3 . 16672 1 1531 . 1 1 162 162 GLN HE21 H 1 7.251 0.007 . 2 . . . . 162 GLN HE21 . 16672 1 1532 . 1 1 162 162 GLN HE22 H 1 6.313 0.010 . 2 . . . . 162 GLN HE22 . 16672 1 1533 . 1 1 162 162 GLN HG2 H 1 2.398 0.007 . 2 . . . . 162 GLN QG . 16672 1 1534 . 1 1 162 162 GLN HG3 H 1 2.398 0.007 . 2 . . . . 162 GLN QG . 16672 1 1535 . 1 1 162 162 GLN CA C 13 56.319 0.135 . 1 . . . . 162 GLN CA . 16672 1 1536 . 1 1 162 162 GLN CB C 13 29.144 0.093 . 1 . . . . 162 GLN CB . 16672 1 1537 . 1 1 162 162 GLN CG C 13 33.697 0.238 . 1 . . . . 162 GLN CG . 16672 1 1538 . 1 1 162 162 GLN N N 15 117.968 0.076 . 1 . . . . 162 GLN N . 16672 1 1539 . 1 1 162 162 GLN NE2 N 15 109.279 0.017 . 1 . . . . 162 GLN NE2 . 16672 1 1540 . 1 1 163 163 ASN H H 1 7.892 0.012 . 1 . . . . 163 ASN H . 16672 1 1541 . 1 1 163 163 ASN HA H 1 4.779 0.003 . 1 . . . . 163 ASN HA . 16672 1 1542 . 1 1 163 163 ASN HB2 H 1 2.802 0.002 . 2 . . . . 163 ASN HB2 . 16672 1 1543 . 1 1 163 163 ASN HB3 H 1 2.711 0.006 . 2 . . . . 163 ASN HB3 . 16672 1 1544 . 1 1 163 163 ASN HD21 H 1 7.229 0.006 . 2 . . . . 163 ASN HD21 . 16672 1 1545 . 1 1 163 163 ASN HD22 H 1 6.420 0.010 . 2 . . . . 163 ASN HD22 . 16672 1 1546 . 1 1 163 163 ASN CA C 13 53.348 0.119 . 1 . . . . 163 ASN CA . 16672 1 1547 . 1 1 163 163 ASN CB C 13 39.461 0.168 . 1 . . . . 163 ASN CB . 16672 1 1548 . 1 1 163 163 ASN N N 15 118.292 0.082 . 1 . . . . 163 ASN N . 16672 1 1549 . 1 1 163 163 ASN ND2 N 15 110.161 0.014 . 1 . . . . 163 ASN ND2 . 16672 1 1550 . 1 1 164 164 TYR H H 1 7.504 0.011 . 1 . . . . 164 TYR H . 16672 1 1551 . 1 1 164 164 TYR HA H 1 4.459 0.004 . 1 . . . . 164 TYR HA . 16672 1 1552 . 1 1 164 164 TYR HB2 H 1 3.130 0.004 . 2 . . . . 164 TYR HB2 . 16672 1 1553 . 1 1 164 164 TYR HB3 H 1 2.988 0.004 . 2 . . . . 164 TYR HB3 . 16672 1 1554 . 1 1 164 164 TYR HD1 H 1 7.136 0.010 . 3 . . . . 164 TYR QD . 16672 1 1555 . 1 1 164 164 TYR HD2 H 1 7.136 0.010 . 3 . . . . 164 TYR QD . 16672 1 1556 . 1 1 164 164 TYR CA C 13 59.297 0.150 . 1 . . . . 164 TYR CA . 16672 1 1557 . 1 1 164 164 TYR CB C 13 39.270 0.158 . 1 . . . . 164 TYR CB . 16672 1 1558 . 1 1 164 164 TYR N N 15 124.565 0.062 . 1 . . . . 164 TYR N . 16672 1 stop_ save_