data_5299 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5299 _Entry.Title ; The Mad2 Spindle Checkpoint Protein Undergoes Similar Major Conformational Changes upon Binding to Either Mad1 or Cdc20 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2002-02-20 _Entry.Accession_date 2002-02-20 _Entry.Last_release_date 2002-03-22 _Entry.Original_release_date 2002-03-22 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _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 X. Luo . . . 5299 2 Z. Tang . . . 5299 3 J. Rizo . . . 5299 4 H. Yu . . . 5299 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 2 5299 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 1183 5299 '13C chemical shifts' 749 5299 '15N chemical shifts' 213 5299 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2002-03-22 2002-02-20 original author . 5299 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5299 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 11804586 _Citation.Full_citation . _Citation.Title ; The Mad2 Spindle Checkpoint Protein Undergoes Similar Major Conformational Changes upon Binding to Either Mad1 or Cdc20 ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Mol. Cell' _Citation.Journal_name_full . _Citation.Journal_volume 9 _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 59 _Citation.Page_last 71 _Citation.Year 2002 _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 X. Luo . . . 5299 1 2 Z. Tang . . . 5299 1 3 J. Rizo . . . 5299 1 4 H. Yu . . . 5299 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'protein-peptide complex' 5299 1 'MAD2 FAMILY' 5299 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_Mad2 _Assembly.Sf_category assembly _Assembly.Sf_framecode system_Mad2 _Assembly.Entry_ID 5299 _Assembly.ID 1 _Assembly.Name 'MITOTIC SPINDLE ASSEMBLY CHECKPOINT PROTEIN MAD2A/PEPTIDE' _Assembly.BMRB_code . _Assembly.Number_of_components . _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 'all free' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 5299 1 stop_ 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 'MITOTIC SPINDLE ASSEMBLY CHECKPOINT PROTEIN MAD2A' 1 $Mad2 . . . native . . . . . 5299 1 2 'Mad2-binding peptide' 2 $MBP1 . . . native . . . . . 5299 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID . PDB 1KLQ . . . . . . 5299 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'MITOTIC SPINDLE ASSEMBLY CHECKPOINT PROTEIN MAD2A/PEPTIDE' system 5299 1 Mad2 abbreviation 5299 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Mad2 _Entity.Sf_category entity _Entity.Sf_framecode Mad2 _Entity.Entry_ID 5299 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'mitotic checkpoint protein Mad2' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSITLRGSAEIVAEFFSFGI NSILYQRGIYPSETFTRVQK YGLTLLVTTDLELIKYLNNV VEQLKDWLYKCSVQKLVVVI SNIESGEVLERWQFDIECDK TAKDDSAPREKSQKAIQDEI RSVIRQITATVTFLPLLEVS CSFDLLIYTDKDLVVPEKWE ESGPQFITNSEEVRLRSFTT TIHKVNSMVAYKIPVND ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 197 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date 2008-08-19 _Entity.DB_query_revised_last_date 2008-08-19 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 . . REF XP_001084989 . 'PREDICTED: MAD2 mitotic arrest deficient-like 1 (yeast) [Macaca mulatta]' . . . . . 98.48 205 98.45 98.45 6.88e-107 . . . . 5299 1 . . SWISS-PROT Q13257 . 'Mitotic spindle assembly checkpoint protein MAD2A (MAD2-like 1) (HsMAD2)' . . . . . 99.49 205 99.49 99.49 2.14e-109 . . . . 5299 1 . . GenBank AAH70283 . 'MAD2 mitotic arrest deficient-like 1 (yeast) [Homo sapiens]' . . . . . 99.49 205 98.98 99.49 3.24e-109 . . . . 5299 1 . . REF NP_002349 . 'MAD2-like 1 [Homo sapiens]' . . . . . 99.49 205 99.49 99.49 2.14e-109 . . . . 5299 1 . . GenBank AAH00356 . 'MAD2 mitotic arrest deficient-like 1 (yeast) [Homo sapiens]' . . . . . 99.49 205 99.49 99.49 2.14e-109 . . . . 5299 1 . . GenBank AAH05945 . 'MAD2 mitotic arrest deficient-like 1 (yeast) [Homo sapiens]' . . . . . 99.49 205 99.49 99.49 2.14e-109 . . . . 5299 1 . . GenBank AAC50781 . Mad2 . . . . . 99.49 205 99.49 99.49 2.14e-109 . . . . 5299 1 . . GenBank AAC52060 . 'mitotic feedback control protein Madp2 homolog [Homo sapiens]' . . . . . 99.49 205 99.49 99.49 2.14e-109 . . . . 5299 1 . . DBJ BAG36562 . 'unnamed protein product [Homo sapiens]' . . . . . 99.49 205 99.49 99.49 2.14e-109 . . . . 5299 1 . . EMBL CAA03943 . 'MAD2 [Homo sapiens]' . . . . . 99.49 205 99.49 99.49 2.14e-109 . . . . 5299 1 . . DBJ BAD97153 . 'MAD2-like 1 variant [Homo sapiens]' . . . . . 99.49 205 98.98 98.98 1.07e-108 . . . . 5299 1 . . DBJ BAE01009 . 'unnamed protein product [Macaca fascicularis]' . . . . . 99.49 205 99.49 99.49 2.14e-109 . . . . 5299 1 . . PDB 2V64 . 'Crystallographic Structure Of The Conformational Dimer Of The Spindle Assembly Checkpoint Protein Mad2' . . . . . 99.49 213 99.49 99.49 8.83e-110 . . . . 5299 1 . . DBJ BAB63410 . 'MAD2 [Homo sapiens]' . . . . . 99.49 205 99.49 99.49 2.14e-109 . . . . 5299 1 . . PDB 1S2H . 'The Mad2 Spindle Checkpoint Protein Possesses Two Distinct Natively Folded States' . . . . . 99.49 206 98.98 98.98 1.32e-108 . . . . 5299 1 . . PDB 2QYF . 'Crystal Structure Of The Mad2P31(COMET)MAD2-Binding Peptide Ternary Complex' . . . . . 99.49 206 98.47 98.47 5.97e-108 . . . . 5299 1 . . PDB 1GO4 . 'Crystal Structure Of Mad1-Mad2 Reveals A Conserved Mad2 Binding Motif In Mad1 And Cdc20' . . . . . 99.49 205 98.98 98.98 1.57e-108 . . . . 5299 1 . . PDB 1KLQ . 'The Mad2 Spindle Checkpoint Protein Undergoes Similar Major Conformational Changes Upon Binding To Either Mad1 Or Cdc20' . . . . . 99.49 197 100.00 100.00 8.83e-110 . . . . 5299 1 . . BMRB 4775 . 'SPINDLE ASSEMBLY CHECKPOINT PROTEIN' . . . . . 94.92 187 100.00 100.00 5.73e-104 . . . . 5299 1 . . PDB 1DUJ . 'Solution Structure Of The Spindle Assembly Checkpoint Protein Human Mad2' . . . . . 94.92 187 100.00 100.00 5.73e-104 . . . . 5299 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'mitotic checkpoint protein Mad2' common 5299 1 Mad2 abbreviation 5299 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLY . 5299 1 2 . SER . 5299 1 3 . ILE . 5299 1 4 . THR . 5299 1 5 . LEU . 5299 1 6 . ARG . 5299 1 7 . GLY . 5299 1 8 . SER . 5299 1 9 . ALA . 5299 1 10 . GLU . 5299 1 11 . ILE . 5299 1 12 . VAL . 5299 1 13 . ALA . 5299 1 14 . GLU . 5299 1 15 . PHE . 5299 1 16 . PHE . 5299 1 17 . SER . 5299 1 18 . PHE . 5299 1 19 . GLY . 5299 1 20 . ILE . 5299 1 21 . ASN . 5299 1 22 . SER . 5299 1 23 . ILE . 5299 1 24 . LEU . 5299 1 25 . TYR . 5299 1 26 . GLN . 5299 1 27 . ARG . 5299 1 28 . GLY . 5299 1 29 . ILE . 5299 1 30 . TYR . 5299 1 31 . PRO . 5299 1 32 . SER . 5299 1 33 . GLU . 5299 1 34 . THR . 5299 1 35 . PHE . 5299 1 36 . THR . 5299 1 37 . ARG . 5299 1 38 . VAL . 5299 1 39 . GLN . 5299 1 40 . LYS . 5299 1 41 . TYR . 5299 1 42 . GLY . 5299 1 43 . LEU . 5299 1 44 . THR . 5299 1 45 . LEU . 5299 1 46 . LEU . 5299 1 47 . VAL . 5299 1 48 . THR . 5299 1 49 . THR . 5299 1 50 . ASP . 5299 1 51 . LEU . 5299 1 52 . GLU . 5299 1 53 . LEU . 5299 1 54 . ILE . 5299 1 55 . LYS . 5299 1 56 . TYR . 5299 1 57 . LEU . 5299 1 58 . ASN . 5299 1 59 . ASN . 5299 1 60 . VAL . 5299 1 61 . VAL . 5299 1 62 . GLU . 5299 1 63 . GLN . 5299 1 64 . LEU . 5299 1 65 . LYS . 5299 1 66 . ASP . 5299 1 67 . TRP . 5299 1 68 . LEU . 5299 1 69 . TYR . 5299 1 70 . LYS . 5299 1 71 . CYS . 5299 1 72 . SER . 5299 1 73 . VAL . 5299 1 74 . GLN . 5299 1 75 . LYS . 5299 1 76 . LEU . 5299 1 77 . VAL . 5299 1 78 . VAL . 5299 1 79 . VAL . 5299 1 80 . ILE . 5299 1 81 . SER . 5299 1 82 . ASN . 5299 1 83 . ILE . 5299 1 84 . GLU . 5299 1 85 . SER . 5299 1 86 . GLY . 5299 1 87 . GLU . 5299 1 88 . VAL . 5299 1 89 . LEU . 5299 1 90 . GLU . 5299 1 91 . ARG . 5299 1 92 . TRP . 5299 1 93 . GLN . 5299 1 94 . PHE . 5299 1 95 . ASP . 5299 1 96 . ILE . 5299 1 97 . GLU . 5299 1 98 . CYS . 5299 1 99 . ASP . 5299 1 100 . LYS . 5299 1 101 . THR . 5299 1 102 . ALA . 5299 1 103 . LYS . 5299 1 104 . ASP . 5299 1 105 . ASP . 5299 1 106 . SER . 5299 1 107 . ALA . 5299 1 108 . PRO . 5299 1 109 . ARG . 5299 1 110 . GLU . 5299 1 111 . LYS . 5299 1 112 . SER . 5299 1 113 . GLN . 5299 1 114 . LYS . 5299 1 115 . ALA . 5299 1 116 . ILE . 5299 1 117 . GLN . 5299 1 118 . ASP . 5299 1 119 . GLU . 5299 1 120 . ILE . 5299 1 121 . ARG . 5299 1 122 . SER . 5299 1 123 . VAL . 5299 1 124 . ILE . 5299 1 125 . ARG . 5299 1 126 . GLN . 5299 1 127 . ILE . 5299 1 128 . THR . 5299 1 129 . ALA . 5299 1 130 . THR . 5299 1 131 . VAL . 5299 1 132 . THR . 5299 1 133 . PHE . 5299 1 134 . LEU . 5299 1 135 . PRO . 5299 1 136 . LEU . 5299 1 137 . LEU . 5299 1 138 . GLU . 5299 1 139 . VAL . 5299 1 140 . SER . 5299 1 141 . CYS . 5299 1 142 . SER . 5299 1 143 . PHE . 5299 1 144 . ASP . 5299 1 145 . LEU . 5299 1 146 . LEU . 5299 1 147 . ILE . 5299 1 148 . TYR . 5299 1 149 . THR . 5299 1 150 . ASP . 5299 1 151 . LYS . 5299 1 152 . ASP . 5299 1 153 . LEU . 5299 1 154 . VAL . 5299 1 155 . VAL . 5299 1 156 . PRO . 5299 1 157 . GLU . 5299 1 158 . LYS . 5299 1 159 . TRP . 5299 1 160 . GLU . 5299 1 161 . GLU . 5299 1 162 . SER . 5299 1 163 . GLY . 5299 1 164 . PRO . 5299 1 165 . GLN . 5299 1 166 . PHE . 5299 1 167 . ILE . 5299 1 168 . THR . 5299 1 169 . ASN . 5299 1 170 . SER . 5299 1 171 . GLU . 5299 1 172 . GLU . 5299 1 173 . VAL . 5299 1 174 . ARG . 5299 1 175 . LEU . 5299 1 176 . ARG . 5299 1 177 . SER . 5299 1 178 . PHE . 5299 1 179 . THR . 5299 1 180 . THR . 5299 1 181 . THR . 5299 1 182 . ILE . 5299 1 183 . HIS . 5299 1 184 . LYS . 5299 1 185 . VAL . 5299 1 186 . ASN . 5299 1 187 . SER . 5299 1 188 . MET . 5299 1 189 . VAL . 5299 1 190 . ALA . 5299 1 191 . TYR . 5299 1 192 . LYS . 5299 1 193 . ILE . 5299 1 194 . PRO . 5299 1 195 . VAL . 5299 1 196 . ASN . 5299 1 197 . ASP . 5299 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 5299 1 . SER 2 2 5299 1 . ILE 3 3 5299 1 . THR 4 4 5299 1 . LEU 5 5 5299 1 . ARG 6 6 5299 1 . GLY 7 7 5299 1 . SER 8 8 5299 1 . ALA 9 9 5299 1 . GLU 10 10 5299 1 . ILE 11 11 5299 1 . VAL 12 12 5299 1 . ALA 13 13 5299 1 . GLU 14 14 5299 1 . PHE 15 15 5299 1 . PHE 16 16 5299 1 . SER 17 17 5299 1 . PHE 18 18 5299 1 . GLY 19 19 5299 1 . ILE 20 20 5299 1 . ASN 21 21 5299 1 . SER 22 22 5299 1 . ILE 23 23 5299 1 . LEU 24 24 5299 1 . TYR 25 25 5299 1 . GLN 26 26 5299 1 . ARG 27 27 5299 1 . GLY 28 28 5299 1 . ILE 29 29 5299 1 . TYR 30 30 5299 1 . PRO 31 31 5299 1 . SER 32 32 5299 1 . GLU 33 33 5299 1 . THR 34 34 5299 1 . PHE 35 35 5299 1 . THR 36 36 5299 1 . ARG 37 37 5299 1 . VAL 38 38 5299 1 . GLN 39 39 5299 1 . LYS 40 40 5299 1 . TYR 41 41 5299 1 . GLY 42 42 5299 1 . LEU 43 43 5299 1 . THR 44 44 5299 1 . LEU 45 45 5299 1 . LEU 46 46 5299 1 . VAL 47 47 5299 1 . THR 48 48 5299 1 . THR 49 49 5299 1 . ASP 50 50 5299 1 . LEU 51 51 5299 1 . GLU 52 52 5299 1 . LEU 53 53 5299 1 . ILE 54 54 5299 1 . LYS 55 55 5299 1 . TYR 56 56 5299 1 . LEU 57 57 5299 1 . ASN 58 58 5299 1 . ASN 59 59 5299 1 . VAL 60 60 5299 1 . VAL 61 61 5299 1 . GLU 62 62 5299 1 . GLN 63 63 5299 1 . LEU 64 64 5299 1 . LYS 65 65 5299 1 . ASP 66 66 5299 1 . TRP 67 67 5299 1 . LEU 68 68 5299 1 . TYR 69 69 5299 1 . LYS 70 70 5299 1 . CYS 71 71 5299 1 . SER 72 72 5299 1 . VAL 73 73 5299 1 . GLN 74 74 5299 1 . LYS 75 75 5299 1 . LEU 76 76 5299 1 . VAL 77 77 5299 1 . VAL 78 78 5299 1 . VAL 79 79 5299 1 . ILE 80 80 5299 1 . SER 81 81 5299 1 . ASN 82 82 5299 1 . ILE 83 83 5299 1 . GLU 84 84 5299 1 . SER 85 85 5299 1 . GLY 86 86 5299 1 . GLU 87 87 5299 1 . VAL 88 88 5299 1 . LEU 89 89 5299 1 . GLU 90 90 5299 1 . ARG 91 91 5299 1 . TRP 92 92 5299 1 . GLN 93 93 5299 1 . PHE 94 94 5299 1 . ASP 95 95 5299 1 . ILE 96 96 5299 1 . GLU 97 97 5299 1 . CYS 98 98 5299 1 . ASP 99 99 5299 1 . LYS 100 100 5299 1 . THR 101 101 5299 1 . ALA 102 102 5299 1 . LYS 103 103 5299 1 . ASP 104 104 5299 1 . ASP 105 105 5299 1 . SER 106 106 5299 1 . ALA 107 107 5299 1 . PRO 108 108 5299 1 . ARG 109 109 5299 1 . GLU 110 110 5299 1 . LYS 111 111 5299 1 . SER 112 112 5299 1 . GLN 113 113 5299 1 . LYS 114 114 5299 1 . ALA 115 115 5299 1 . ILE 116 116 5299 1 . GLN 117 117 5299 1 . ASP 118 118 5299 1 . GLU 119 119 5299 1 . ILE 120 120 5299 1 . ARG 121 121 5299 1 . SER 122 122 5299 1 . VAL 123 123 5299 1 . ILE 124 124 5299 1 . ARG 125 125 5299 1 . GLN 126 126 5299 1 . ILE 127 127 5299 1 . THR 128 128 5299 1 . ALA 129 129 5299 1 . THR 130 130 5299 1 . VAL 131 131 5299 1 . THR 132 132 5299 1 . PHE 133 133 5299 1 . LEU 134 134 5299 1 . PRO 135 135 5299 1 . LEU 136 136 5299 1 . LEU 137 137 5299 1 . GLU 138 138 5299 1 . VAL 139 139 5299 1 . SER 140 140 5299 1 . CYS 141 141 5299 1 . SER 142 142 5299 1 . PHE 143 143 5299 1 . ASP 144 144 5299 1 . LEU 145 145 5299 1 . LEU 146 146 5299 1 . ILE 147 147 5299 1 . TYR 148 148 5299 1 . THR 149 149 5299 1 . ASP 150 150 5299 1 . LYS 151 151 5299 1 . ASP 152 152 5299 1 . LEU 153 153 5299 1 . VAL 154 154 5299 1 . VAL 155 155 5299 1 . PRO 156 156 5299 1 . GLU 157 157 5299 1 . LYS 158 158 5299 1 . TRP 159 159 5299 1 . GLU 160 160 5299 1 . GLU 161 161 5299 1 . SER 162 162 5299 1 . GLY 163 163 5299 1 . PRO 164 164 5299 1 . GLN 165 165 5299 1 . PHE 166 166 5299 1 . ILE 167 167 5299 1 . THR 168 168 5299 1 . ASN 169 169 5299 1 . SER 170 170 5299 1 . GLU 171 171 5299 1 . GLU 172 172 5299 1 . VAL 173 173 5299 1 . ARG 174 174 5299 1 . LEU 175 175 5299 1 . ARG 176 176 5299 1 . SER 177 177 5299 1 . PHE 178 178 5299 1 . THR 179 179 5299 1 . THR 180 180 5299 1 . THR 181 181 5299 1 . ILE 182 182 5299 1 . HIS 183 183 5299 1 . LYS 184 184 5299 1 . VAL 185 185 5299 1 . ASN 186 186 5299 1 . SER 187 187 5299 1 . MET 188 188 5299 1 . VAL 189 189 5299 1 . ALA 190 190 5299 1 . TYR 191 191 5299 1 . LYS 192 192 5299 1 . ILE 193 193 5299 1 . PRO 194 194 5299 1 . VAL 195 195 5299 1 . ASN 196 196 5299 1 . ASP 197 197 5299 1 stop_ save_ save_MBP1 _Entity.Sf_category entity _Entity.Sf_framecode MBP1 _Entity.Entry_ID 5299 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name 'Mad2-binding peptide' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code SWYSYPPPQRAV _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 12 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date 2008-08-19 _Entity.DB_query_revised_last_date 2005-11-22 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 . . BMRB 5299 . 'Mad2-binding peptide' . . . . . 100.00 12 100 100 4.6 . . . . 5299 2 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Mad2-binding peptide' common 5299 2 MBP1 abbreviation 5299 2 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 . SER . 5299 2 2 . TRP . 5299 2 3 . TYR . 5299 2 4 . SER . 5299 2 5 . TYR . 5299 2 6 . PRO . 5299 2 7 . PRO . 5299 2 8 . PRO . 5299 2 9 . GLN . 5299 2 10 . ARG . 5299 2 11 . ALA . 5299 2 12 . VAL . 5299 2 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 . SER 1 1 5299 2 . TRP 2 2 5299 2 . TYR 3 3 5299 2 . SER 4 4 5299 2 . TYR 5 5 5299 2 . PRO 6 6 5299 2 . PRO 7 7 5299 2 . PRO 8 8 5299 2 . GLN 9 9 5299 2 . ARG 10 10 5299 2 . ALA 11 11 5299 2 . VAL 12 12 5299 2 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 5299 _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 $Mad2 . 9606 . . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 5299 1 2 2 $MBP1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 'The peptide is from the screening of a random phage display peptide library.' . . 5299 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 5299 _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 $Mad2 . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5299 1 2 2 $MBP1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . ; The unlabeled peptide is obtained from the chemical synthesis, and the labeled peptide is from the recombinant technology. ; . . 5299 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 5299 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 'mitotic checkpoint protein Mad2' [U-15N] . . 1 $Mad2 . . 0.8 . . mM . . . . 5299 1 2 'Mad2-binding peptide' . . . 2 $MBP1 . . 1 . . mM . . . . 5299 1 3 'phosphate buffer' . . . . . . . 50 . . mM . . . . 5299 1 4 KCl . . . . . . . 0.3 . . M . . . . 5299 1 5 DTT . . . . . . . 1 . . mM . . . . 5299 1 6 D2O . . . . . . . 10 . . % . . . . 5299 1 7 H2O . . . . . . . 90 . . % . . . . 5299 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 5299 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 'mitotic checkpoint protein Mad2' '[U-15N; U-13C; U-2H]' . . 1 $Mad2 . . 0.8 . . mM . . . . 5299 2 2 'Mad2-binding peptide' . . . 2 $MBP1 . . 1 . . mM . . . . 5299 2 3 'phosphate buffer' . . . . . . . 50 . . mM . . . . 5299 2 4 KCl . . . . . . . 0.3 . . M . . . . 5299 2 5 DTT . . . . . . . 1 . . mM . . . . 5299 2 6 D2O . . . . . . . 10 . . % . . . . 5299 2 7 H2O . . . . . . . 90 . . % . . . . 5299 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 5299 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 'mitotic checkpoint protein Mad2' '[U-15N; U-13C]' . . 1 $Mad2 . . 0.8 . . mM . . . . 5299 3 2 'Mad2-binding peptide' . . . 2 $MBP1 . . 1 . . mM . . . . 5299 3 3 'phosphate buffer' . . . . . . . 50 . . mM . . . . 5299 3 4 KCl . . . . . . . 0.3 . . M . . . . 5299 3 5 DTT . . . . . . . 1 . . mM . . . . 5299 3 6 D2O . . . . . . . 10 . . % . . . . 5299 3 7 H2O . . . . . . . 90 . . % . . . . 5299 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 5299 _Sample.ID 4 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 'mitotic checkpoint protein Mad2' '[U-15N; U-13C; U-60% 2H]' . . 1 $Mad2 . . 0.8 . . mM . . . . 5299 4 2 'Mad2-binding peptide' . . . 2 $MBP1 . . 1 . . mM . . . . 5299 4 3 'phosphate buffer' . . . . . . . 50 . . mM . . . . 5299 4 4 KCl . . . . . . . 0.3 . . M . . . . 5299 4 5 DTT . . . . . . . 1 . . mM . . . . 5299 4 6 D2O . . . . . . . 10 . . % . . . . 5299 4 7 H2O . . . . . . . 90 . . % . . . . 5299 4 stop_ save_ save_sample_5 _Sample.Sf_category sample _Sample.Sf_framecode sample_5 _Sample.Entry_ID 5299 _Sample.ID 5 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 'mitotic checkpoint protein Mad2' . . . 1 $Mad2 . . 1 . . mM . . . . 5299 5 2 'Mad2-binding peptide' '[U-13C; U-15N]' . . 2 $MBP1 . . 0.8 . . mM . . . . 5299 5 3 'phosphate buffer' . . . . . . . 50 . . mM . . . . 5299 5 4 KCl . . . . . . . 0.3 . . M . . . . 5299 5 5 DTT . . . . . . . 1 . . mM . . . . 5299 5 6 D2O . . . . . . . 10 . . % . . . . 5299 5 7 H2O . . . . . . . 90 . . % . . . . 5299 5 stop_ save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_cond_1 _Sample_condition_list.Entry_ID 5299 _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 7.4 0.1 n/a 5299 1 temperature 303 0.1 K 5299 1 'ionic strength' 0.3 . M 5299 1 pressure 1 . atm 5299 1 stop_ save_ ############################ # Computer software used # ############################ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 5299 _Software.ID 1 _Software.Name CNS _Software.Version 0.9a _Software.Details 'Brunger, A.T.' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 5299 1 refinement 5299 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 5299 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 5299 _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 NMR_spectrometer Varian INOVA . 600 . . . 5299 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 5299 _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 HNCA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5299 1 2 '3D H(CC)(CO)NH' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5299 1 3 '3D 15N-separated NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5299 1 4 '3D 13C-separated NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5299 1 5 HN(CO)CA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5299 1 6 '3D (H)C(C)(CO)NH' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5299 1 7 HN(COCA)CB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5299 1 8 HN(CA)CB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5299 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 5299 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name HNCA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 5299 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '3D H(CC)(CO)NH' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 5299 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name '3D 15N-separated NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 5299 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name '3D 13C-separated NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 5299 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name HN(CO)CA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 5299 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name '3D (H)C(C)(CO)NH' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_7 _NMR_spec_expt.Entry_ID 5299 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name HN(COCA)CB _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_8 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_8 _NMR_spec_expt.Entry_ID 5299 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name HN(CA)CB _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 5299 _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 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 5299 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 5299 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 5299 1 H 2 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.153506088 . . . . . . . . . 5299 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chemical_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_set_1 _Assigned_chem_shift_list.Entry_ID 5299 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _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 . . 3 $sample_3 . 5299 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 GLY CA C 13 45.464 0.12 . 1 . . . . . . . . 5299 1 2 . 1 1 1 1 GLY HA2 H 1 3.990 0.03 . 2 . . . . . . . . 5299 1 3 . 1 1 1 1 GLY C C 13 174.240 0.12 . 1 . . . . . . . . 5299 1 4 . 1 1 2 2 SER N N 15 115.531 0.15 . 1 . . . . . . . . 5299 1 5 . 1 1 2 2 SER H H 1 8.159 0.03 . 1 . . . . . . . . 5299 1 6 . 1 1 2 2 SER CA C 13 58.386 0.12 . 1 . . . . . . . . 5299 1 7 . 1 1 2 2 SER CB C 13 64.641 0.12 . 1 . . . . . . . . 5299 1 8 . 1 1 2 2 SER HB2 H 1 3.830 0.03 . 2 . . . . . . . . 5299 1 9 . 1 1 2 2 SER C C 13 174.660 0.12 . 1 . . . . . . . . 5299 1 10 . 1 1 3 3 ILE N N 15 123.420 0.15 . 1 . . . . . . . . 5299 1 11 . 1 1 3 3 ILE H H 1 8.660 0.03 . 1 . . . . . . . . 5299 1 12 . 1 1 3 3 ILE CA C 13 59.755 0.12 . 1 . . . . . . . . 5299 1 13 . 1 1 3 3 ILE HA H 1 4.540 0.03 . 1 . . . . . . . . 5299 1 14 . 1 1 3 3 ILE CB C 13 38.243 0.12 . 1 . . . . . . . . 5299 1 15 . 1 1 3 3 ILE HB H 1 1.960 0.03 . 1 . . . . . . . . 5299 1 16 . 1 1 3 3 ILE HG12 H 1 1.620 0.03 . 2 . . . . . . . . 5299 1 17 . 1 1 3 3 ILE CD1 C 13 12.780 0.12 . 1 . . . . . . . . 5299 1 18 . 1 1 3 3 ILE HD11 H 1 0.930 0.03 . 1 . . . . . . . . 5299 1 19 . 1 1 3 3 ILE HD12 H 1 0.930 0.03 . 1 . . . . . . . . 5299 1 20 . 1 1 3 3 ILE HD13 H 1 0.930 0.03 . 1 . . . . . . . . 5299 1 21 . 1 1 3 3 ILE CG2 C 13 17.420 0.12 . 1 . . . . . . . . 5299 1 22 . 1 1 3 3 ILE HG21 H 1 1.020 0.03 . 1 . . . . . . . . 5299 1 23 . 1 1 3 3 ILE HG22 H 1 1.020 0.03 . 1 . . . . . . . . 5299 1 24 . 1 1 3 3 ILE HG23 H 1 1.020 0.03 . 1 . . . . . . . . 5299 1 25 . 1 1 3 3 ILE C C 13 175.220 0.12 . 1 . . . . . . . . 5299 1 26 . 1 1 4 4 THR N N 15 115.334 0.15 . 1 . . . . . . . . 5299 1 27 . 1 1 4 4 THR H H 1 7.703 0.03 . 1 . . . . . . . . 5299 1 28 . 1 1 4 4 THR CA C 13 59.247 0.12 . 1 . . . . . . . . 5299 1 29 . 1 1 4 4 THR HA H 1 4.080 0.03 . 1 . . . . . . . . 5299 1 30 . 1 1 4 4 THR CB C 13 72.311 0.12 . 1 . . . . . . . . 5299 1 31 . 1 1 4 4 THR HB H 1 3.890 0.03 . 1 . . . . . . . . 5299 1 32 . 1 1 4 4 THR CG2 C 13 22.140 0.12 . 1 . . . . . . . . 5299 1 33 . 1 1 4 4 THR HG21 H 1 1.300 0.03 . 1 . . . . . . . . 5299 1 34 . 1 1 4 4 THR HG22 H 1 1.300 0.03 . 1 . . . . . . . . 5299 1 35 . 1 1 4 4 THR HG23 H 1 1.300 0.03 . 1 . . . . . . . . 5299 1 36 . 1 1 4 4 THR C C 13 175.670 0.12 . 1 . . . . . . . . 5299 1 37 . 1 1 5 5 LEU N N 15 123.952 0.15 . 1 . . . . . . . . 5299 1 38 . 1 1 5 5 LEU H H 1 8.983 0.03 . 1 . . . . . . . . 5299 1 39 . 1 1 5 5 LEU CA C 13 59.760 0.12 . 1 . . . . . . . . 5299 1 40 . 1 1 5 5 LEU HA H 1 4.170 0.03 . 1 . . . . . . . . 5299 1 41 . 1 1 5 5 LEU CB C 13 41.159 0.12 . 1 . . . . . . . . 5299 1 42 . 1 1 5 5 LEU CD1 C 13 23.500 0.12 . 1 . . . . . . . . 5299 1 43 . 1 1 5 5 LEU HD11 H 1 0.890 0.03 . 1 . . . . . . . . 5299 1 44 . 1 1 5 5 LEU HD12 H 1 0.890 0.03 . 1 . . . . . . . . 5299 1 45 . 1 1 5 5 LEU HD13 H 1 0.890 0.03 . 1 . . . . . . . . 5299 1 46 . 1 1 5 5 LEU CD2 C 13 25.750 0.12 . 1 . . . . . . . . 5299 1 47 . 1 1 5 5 LEU HD21 H 1 0.720 0.03 . 1 . . . . . . . . 5299 1 48 . 1 1 5 5 LEU HD22 H 1 0.720 0.03 . 1 . . . . . . . . 5299 1 49 . 1 1 5 5 LEU HD23 H 1 0.720 0.03 . 1 . . . . . . . . 5299 1 50 . 1 1 5 5 LEU C C 13 179.350 0.12 . 1 . . . . . . . . 5299 1 51 . 1 1 6 6 ARG N N 15 117.622 0.15 . 1 . . . . . . . . 5299 1 52 . 1 1 6 6 ARG H H 1 8.874 0.03 . 1 . . . . . . . . 5299 1 53 . 1 1 6 6 ARG CA C 13 59.524 0.12 . 1 . . . . . . . . 5299 1 54 . 1 1 6 6 ARG HA H 1 4.100 0.03 . 1 . . . . . . . . 5299 1 55 . 1 1 6 6 ARG CB C 13 29.410 0.12 . 1 . . . . . . . . 5299 1 56 . 1 1 6 6 ARG HB2 H 1 1.560 0.03 . 2 . . . . . . . . 5299 1 57 . 1 1 6 6 ARG HG2 H 1 1.950 0.03 . 2 . . . . . . . . 5299 1 58 . 1 1 6 6 ARG HG3 H 1 1.800 0.03 . 2 . . . . . . . . 5299 1 59 . 1 1 6 6 ARG CD C 13 42.720 0.12 . 1 . . . . . . . . 5299 1 60 . 1 1 6 6 ARG HD2 H 1 2.990 0.03 . 2 . . . . . . . . 5299 1 61 . 1 1 6 6 ARG C C 13 179.150 0.12 . 1 . . . . . . . . 5299 1 62 . 1 1 7 7 GLY N N 15 107.934 0.15 . 1 . . . . . . . . 5299 1 63 . 1 1 7 7 GLY H H 1 8.272 0.03 . 1 . . . . . . . . 5299 1 64 . 1 1 7 7 GLY CA C 13 46.889 0.12 . 1 . . . . . . . . 5299 1 65 . 1 1 7 7 GLY HA2 H 1 3.900 0.03 . 2 . . . . . . . . 5299 1 66 . 1 1 7 7 GLY HA3 H 1 4.100 0.03 . 2 . . . . . . . . 5299 1 67 . 1 1 7 7 GLY C C 13 177.520 0.12 . 1 . . . . . . . . 5299 1 68 . 1 1 8 8 SER N N 15 115.776 0.15 . 1 . . . . . . . . 5299 1 69 . 1 1 8 8 SER H H 1 9.151 0.03 . 1 . . . . . . . . 5299 1 70 . 1 1 8 8 SER CA C 13 62.091 0.12 . 1 . . . . . . . . 5299 1 71 . 1 1 8 8 SER HA H 1 4.420 0.03 . 1 . . . . . . . . 5299 1 72 . 1 1 8 8 SER HB2 H 1 4.180 0.03 . 2 . . . . . . . . 5299 1 73 . 1 1 8 8 SER C C 13 177.010 0.12 . 1 . . . . . . . . 5299 1 74 . 1 1 9 9 ALA N N 15 119.476 0.15 . 1 . . . . . . . . 5299 1 75 . 1 1 9 9 ALA H H 1 8.410 0.03 . 1 . . . . . . . . 5299 1 76 . 1 1 9 9 ALA CA C 13 55.532 0.12 . 1 . . . . . . . . 5299 1 77 . 1 1 9 9 ALA HA H 1 3.710 0.03 . 1 . . . . . . . . 5299 1 78 . 1 1 9 9 ALA CB C 13 19.030 0.12 . 1 . . . . . . . . 5299 1 79 . 1 1 9 9 ALA HB1 H 1 1.750 0.03 . 1 . . . . . . . . 5299 1 80 . 1 1 9 9 ALA HB2 H 1 1.750 0.03 . 1 . . . . . . . . 5299 1 81 . 1 1 9 9 ALA HB3 H 1 1.750 0.03 . 1 . . . . . . . . 5299 1 82 . 1 1 9 9 ALA C C 13 179.660 0.12 . 1 . . . . . . . . 5299 1 83 . 1 1 10 10 GLU N N 15 115.544 0.15 . 1 . . . . . . . . 5299 1 84 . 1 1 10 10 GLU H H 1 8.020 0.03 . 1 . . . . . . . . 5299 1 85 . 1 1 10 10 GLU CA C 13 60.305 0.12 . 1 . . . . . . . . 5299 1 86 . 1 1 10 10 GLU HA H 1 3.880 0.03 . 1 . . . . . . . . 5299 1 87 . 1 1 10 10 GLU CB C 13 28.923 0.12 . 1 . . . . . . . . 5299 1 88 . 1 1 10 10 GLU HB2 H 1 2.220 0.03 . 2 . . . . . . . . 5299 1 89 . 1 1 10 10 GLU CG C 13 36.950 0.12 . 1 . . . . . . . . 5299 1 90 . 1 1 10 10 GLU HG2 H 1 2.350 0.03 . 2 . . . . . . . . 5299 1 91 . 1 1 10 10 GLU C C 13 179.800 0.12 . 1 . . . . . . . . 5299 1 92 . 1 1 11 11 ILE N N 15 120.451 0.15 . 1 . . . . . . . . 5299 1 93 . 1 1 11 11 ILE H H 1 8.158 0.03 . 1 . . . . . . . . 5299 1 94 . 1 1 11 11 ILE CA C 13 65.236 0.12 . 1 . . . . . . . . 5299 1 95 . 1 1 11 11 ILE HA H 1 3.910 0.03 . 1 . . . . . . . . 5299 1 96 . 1 1 11 11 ILE CB C 13 38.543 0.12 . 1 . . . . . . . . 5299 1 97 . 1 1 11 11 ILE CD1 C 13 14.650 0.12 . 1 . . . . . . . . 5299 1 98 . 1 1 11 11 ILE HD11 H 1 1.020 0.03 . 1 . . . . . . . . 5299 1 99 . 1 1 11 11 ILE HD12 H 1 1.020 0.03 . 1 . . . . . . . . 5299 1 100 . 1 1 11 11 ILE HD13 H 1 1.020 0.03 . 1 . . . . . . . . 5299 1 101 . 1 1 11 11 ILE CG2 C 13 17.420 0.12 . 1 . . . . . . . . 5299 1 102 . 1 1 11 11 ILE HG21 H 1 0.980 0.03 . 1 . . . . . . . . 5299 1 103 . 1 1 11 11 ILE HG22 H 1 0.980 0.03 . 1 . . . . . . . . 5299 1 104 . 1 1 11 11 ILE HG23 H 1 0.980 0.03 . 1 . . . . . . . . 5299 1 105 . 1 1 11 11 ILE C C 13 180.170 0.12 . 1 . . . . . . . . 5299 1 106 . 1 1 12 12 VAL N N 15 120.899 0.15 . 1 . . . . . . . . 5299 1 107 . 1 1 12 12 VAL H H 1 8.773 0.03 . 1 . . . . . . . . 5299 1 108 . 1 1 12 12 VAL CA C 13 67.030 0.12 . 1 . . . . . . . . 5299 1 109 . 1 1 12 12 VAL HA H 1 3.600 0.03 . 1 . . . . . . . . 5299 1 110 . 1 1 12 12 VAL CB C 13 30.780 0.12 . 1 . . . . . . . . 5299 1 111 . 1 1 12 12 VAL HB H 1 2.180 0.03 . 1 . . . . . . . . 5299 1 112 . 1 1 12 12 VAL CG2 C 13 24.160 0.12 . 1 . . . . . . . . 5299 1 113 . 1 1 12 12 VAL HG21 H 1 1.070 0.03 . 1 . . . . . . . . 5299 1 114 . 1 1 12 12 VAL HG22 H 1 1.070 0.03 . 1 . . . . . . . . 5299 1 115 . 1 1 12 12 VAL HG23 H 1 1.070 0.03 . 1 . . . . . . . . 5299 1 116 . 1 1 12 12 VAL CG1 C 13 24.840 0.12 . 1 . . . . . . . . 5299 1 117 . 1 1 12 12 VAL HG11 H 1 0.760 0.03 . 1 . . . . . . . . 5299 1 118 . 1 1 12 12 VAL HG12 H 1 0.760 0.03 . 1 . . . . . . . . 5299 1 119 . 1 1 12 12 VAL HG13 H 1 0.760 0.03 . 1 . . . . . . . . 5299 1 120 . 1 1 12 12 VAL C C 13 177.360 0.12 . 1 . . . . . . . . 5299 1 121 . 1 1 13 13 ALA N N 15 122.069 0.15 . 1 . . . . . . . . 5299 1 122 . 1 1 13 13 ALA H H 1 8.514 0.03 . 1 . . . . . . . . 5299 1 123 . 1 1 13 13 ALA CA C 13 56.452 0.12 . 1 . . . . . . . . 5299 1 124 . 1 1 13 13 ALA HA H 1 4.080 0.03 . 1 . . . . . . . . 5299 1 125 . 1 1 13 13 ALA CB C 13 19.440 0.12 . 1 . . . . . . . . 5299 1 126 . 1 1 13 13 ALA HB1 H 1 1.540 0.03 . 1 . . . . . . . . 5299 1 127 . 1 1 13 13 ALA HB2 H 1 1.540 0.03 . 1 . . . . . . . . 5299 1 128 . 1 1 13 13 ALA HB3 H 1 1.540 0.03 . 1 . . . . . . . . 5299 1 129 . 1 1 13 13 ALA C C 13 179.160 0.12 . 1 . . . . . . . . 5299 1 130 . 1 1 14 14 GLU N N 15 115.976 0.15 . 1 . . . . . . . . 5299 1 131 . 1 1 14 14 GLU H H 1 7.906 0.03 . 1 . . . . . . . . 5299 1 132 . 1 1 14 14 GLU CA C 13 59.640 0.12 . 1 . . . . . . . . 5299 1 133 . 1 1 14 14 GLU HA H 1 4.060 0.03 . 1 . . . . . . . . 5299 1 134 . 1 1 14 14 GLU CB C 13 29.805 0.12 . 1 . . . . . . . . 5299 1 135 . 1 1 14 14 GLU HB2 H 1 2.400 0.03 . 2 . . . . . . . . 5299 1 136 . 1 1 14 14 GLU HB3 H 1 2.270 0.03 . 2 . . . . . . . . 5299 1 137 . 1 1 14 14 GLU HG2 H 1 2.530 0.03 . 2 . . . . . . . . 5299 1 138 . 1 1 14 14 GLU C C 13 179.290 0.12 . 1 . . . . . . . . 5299 1 139 . 1 1 15 15 PHE N N 15 120.603 0.15 . 1 . . . . . . . . 5299 1 140 . 1 1 15 15 PHE H H 1 8.109 0.03 . 1 . . . . . . . . 5299 1 141 . 1 1 15 15 PHE CA C 13 61.206 0.12 . 1 . . . . . . . . 5299 1 142 . 1 1 15 15 PHE HA H 1 4.540 0.03 . 1 . . . . . . . . 5299 1 143 . 1 1 15 15 PHE CB C 13 37.071 0.12 . 1 . . . . . . . . 5299 1 144 . 1 1 15 15 PHE HB2 H 1 2.950 0.03 . 2 . . . . . . . . 5299 1 145 . 1 1 15 15 PHE HB3 H 1 3.440 0.03 . 2 . . . . . . . . 5299 1 146 . 1 1 15 15 PHE HD1 H 1 6.540 0.03 . 1 . . . . . . . . 5299 1 147 . 1 1 15 15 PHE HE1 H 1 6.340 0.03 . 1 . . . . . . . . 5299 1 148 . 1 1 15 15 PHE HZ H 1 6.010 0.03 . 1 . . . . . . . . 5299 1 149 . 1 1 15 15 PHE HE2 H 1 6.340 0.03 . 1 . . . . . . . . 5299 1 150 . 1 1 15 15 PHE HD2 H 1 6.540 0.03 . 1 . . . . . . . . 5299 1 151 . 1 1 15 15 PHE C C 13 178.030 0.12 . 1 . . . . . . . . 5299 1 152 . 1 1 16 16 PHE N N 15 117.924 0.15 . 1 . . . . . . . . 5299 1 153 . 1 1 16 16 PHE H H 1 8.225 0.03 . 1 . . . . . . . . 5299 1 154 . 1 1 16 16 PHE CA C 13 61.745 0.12 . 1 . . . . . . . . 5299 1 155 . 1 1 16 16 PHE HA H 1 3.710 0.03 . 1 . . . . . . . . 5299 1 156 . 1 1 16 16 PHE CB C 13 36.819 0.12 . 1 . . . . . . . . 5299 1 157 . 1 1 16 16 PHE HB2 H 1 3.140 0.03 . 2 . . . . . . . . 5299 1 158 . 1 1 16 16 PHE HB3 H 1 2.940 0.03 . 2 . . . . . . . . 5299 1 159 . 1 1 16 16 PHE HD1 H 1 6.890 0.03 . 1 . . . . . . . . 5299 1 160 . 1 1 16 16 PHE HE1 H 1 6.930 0.03 . 1 . . . . . . . . 5299 1 161 . 1 1 16 16 PHE HE2 H 1 6.930 0.03 . 1 . . . . . . . . 5299 1 162 . 1 1 16 16 PHE HD2 H 1 6.890 0.03 . 1 . . . . . . . . 5299 1 163 . 1 1 16 16 PHE C C 13 178.430 0.12 . 1 . . . . . . . . 5299 1 164 . 1 1 17 17 SER N N 15 113.790 0.15 . 1 . . . . . . . . 5299 1 165 . 1 1 17 17 SER H H 1 7.856 0.03 . 1 . . . . . . . . 5299 1 166 . 1 1 17 17 SER CA C 13 62.485 0.12 . 1 . . . . . . . . 5299 1 167 . 1 1 17 17 SER HA H 1 4.050 0.03 . 1 . . . . . . . . 5299 1 168 . 1 1 17 17 SER HB2 H 1 3.790 0.03 . 2 . . . . . . . . 5299 1 169 . 1 1 17 17 SER C C 13 178.640 0.12 . 1 . . . . . . . . 5299 1 170 . 1 1 18 18 PHE N N 15 118.830 0.15 . 1 . . . . . . . . 5299 1 171 . 1 1 18 18 PHE H H 1 7.880 0.03 . 1 . . . . . . . . 5299 1 172 . 1 1 18 18 PHE CA C 13 63.677 0.12 . 1 . . . . . . . . 5299 1 173 . 1 1 18 18 PHE HA H 1 4.100 0.03 . 1 . . . . . . . . 5299 1 174 . 1 1 18 18 PHE HB2 H 1 2.970 0.03 . 2 . . . . . . . . 5299 1 175 . 1 1 18 18 PHE HB3 H 1 2.820 0.03 . 2 . . . . . . . . 5299 1 176 . 1 1 18 18 PHE HD1 H 1 7.400 0.03 . 1 . . . . . . . . 5299 1 177 . 1 1 18 18 PHE HE1 H 1 7.170 0.03 . 1 . . . . . . . . 5299 1 178 . 1 1 18 18 PHE HZ H 1 7.120 0.03 . 1 . . . . . . . . 5299 1 179 . 1 1 18 18 PHE HE2 H 1 7.170 0.03 . 1 . . . . . . . . 5299 1 180 . 1 1 18 18 PHE HD2 H 1 7.400 0.03 . 1 . . . . . . . . 5299 1 181 . 1 1 18 18 PHE C C 13 180.250 0.12 . 1 . . . . . . . . 5299 1 182 . 1 1 19 19 GLY N N 15 111.908 0.15 . 1 . . . . . . . . 5299 1 183 . 1 1 19 19 GLY H H 1 9.728 0.03 . 1 . . . . . . . . 5299 1 184 . 1 1 19 19 GLY CA C 13 46.470 0.12 . 1 . . . . . . . . 5299 1 185 . 1 1 19 19 GLY HA2 H 1 3.390 0.03 . 2 . . . . . . . . 5299 1 186 . 1 1 19 19 GLY HA3 H 1 2.990 0.03 . 2 . . . . . . . . 5299 1 187 . 1 1 19 19 GLY C C 13 174.710 0.12 . 1 . . . . . . . . 5299 1 188 . 1 1 20 20 ILE N N 15 120.113 0.15 . 1 . . . . . . . . 5299 1 189 . 1 1 20 20 ILE H H 1 8.851 0.03 . 1 . . . . . . . . 5299 1 190 . 1 1 20 20 ILE CA C 13 66.620 0.12 . 1 . . . . . . . . 5299 1 191 . 1 1 20 20 ILE HA H 1 3.440 0.03 . 1 . . . . . . . . 5299 1 192 . 1 1 20 20 ILE CB C 13 37.680 0.12 . 1 . . . . . . . . 5299 1 193 . 1 1 20 20 ILE CD1 C 13 13.950 0.12 . 1 . . . . . . . . 5299 1 194 . 1 1 20 20 ILE HD11 H 1 0.830 0.03 . 1 . . . . . . . . 5299 1 195 . 1 1 20 20 ILE HD12 H 1 0.830 0.03 . 1 . . . . . . . . 5299 1 196 . 1 1 20 20 ILE HD13 H 1 0.830 0.03 . 1 . . . . . . . . 5299 1 197 . 1 1 20 20 ILE CG2 C 13 17.680 0.12 . 1 . . . . . . . . 5299 1 198 . 1 1 20 20 ILE HG21 H 1 0.760 0.03 . 1 . . . . . . . . 5299 1 199 . 1 1 20 20 ILE HG22 H 1 0.760 0.03 . 1 . . . . . . . . 5299 1 200 . 1 1 20 20 ILE HG23 H 1 0.760 0.03 . 1 . . . . . . . . 5299 1 201 . 1 1 20 20 ILE C C 13 178.220 0.12 . 1 . . . . . . . . 5299 1 202 . 1 1 21 21 ASN N N 15 116.800 0.15 . 1 . . . . . . . . 5299 1 203 . 1 1 21 21 ASN H H 1 7.520 0.03 . 1 . . . . . . . . 5299 1 204 . 1 1 21 21 ASN CA C 13 59.030 0.12 . 1 . . . . . . . . 5299 1 205 . 1 1 21 21 ASN HA H 1 4.160 0.03 . 1 . . . . . . . . 5299 1 206 . 1 1 21 21 ASN CB C 13 40.740 0.12 . 1 . . . . . . . . 5299 1 207 . 1 1 21 21 ASN HB2 H 1 2.840 0.03 . 2 . . . . . . . . 5299 1 208 . 1 1 21 21 ASN C C 13 177.040 0.12 . 1 . . . . . . . . 5299 1 209 . 1 1 22 22 SER N N 15 111.140 0.15 . 1 . . . . . . . . 5299 1 210 . 1 1 22 22 SER H H 1 7.800 0.03 . 1 . . . . . . . . 5299 1 211 . 1 1 22 22 SER CA C 13 63.500 0.12 . 1 . . . . . . . . 5299 1 212 . 1 1 22 22 SER HA H 1 4.170 0.03 . 1 . . . . . . . . 5299 1 213 . 1 1 22 22 SER HB2 H 1 5.180 0.03 . 2 . . . . . . . . 5299 1 214 . 1 1 22 22 SER C C 13 174.520 0.12 . 1 . . . . . . . . 5299 1 215 . 1 1 23 23 ILE N N 15 122.500 0.15 . 1 . . . . . . . . 5299 1 216 . 1 1 23 23 ILE H H 1 7.780 0.03 . 1 . . . . . . . . 5299 1 217 . 1 1 23 23 ILE CA C 13 61.850 0.12 . 1 . . . . . . . . 5299 1 218 . 1 1 23 23 ILE HA H 1 2.980 0.03 . 1 . . . . . . . . 5299 1 219 . 1 1 23 23 ILE CG1 C 13 17.220 0.12 . 1 . . . . . . . . 5299 1 220 . 1 1 23 23 ILE HG12 H 1 -0.800 0.03 . 2 . . . . . . . . 5299 1 221 . 1 1 23 23 ILE CD1 C 13 13.830 0.12 . 1 . . . . . . . . 5299 1 222 . 1 1 23 23 ILE HD11 H 1 0.330 0.03 . 1 . . . . . . . . 5299 1 223 . 1 1 23 23 ILE HD12 H 1 0.330 0.03 . 1 . . . . . . . . 5299 1 224 . 1 1 23 23 ILE HD13 H 1 0.330 0.03 . 1 . . . . . . . . 5299 1 225 . 1 1 23 23 ILE CG2 C 13 16.200 0.12 . 1 . . . . . . . . 5299 1 226 . 1 1 23 23 ILE HG21 H 1 0.140 0.03 . 1 . . . . . . . . 5299 1 227 . 1 1 23 23 ILE HG22 H 1 0.140 0.03 . 1 . . . . . . . . 5299 1 228 . 1 1 23 23 ILE HG23 H 1 0.140 0.03 . 1 . . . . . . . . 5299 1 229 . 1 1 24 24 LEU N N 15 116.450 0.15 . 1 . . . . . . . . 5299 1 230 . 1 1 24 24 LEU H H 1 8.200 0.03 . 1 . . . . . . . . 5299 1 231 . 1 1 24 24 LEU CA C 13 58.040 0.12 . 1 . . . . . . . . 5299 1 232 . 1 1 24 24 LEU HA H 1 3.720 0.03 . 1 . . . . . . . . 5299 1 233 . 1 1 24 24 LEU CD1 C 13 25.610 0.12 . 1 . . . . . . . . 5299 1 234 . 1 1 24 24 LEU HD11 H 1 0.480 0.03 . 1 . . . . . . . . 5299 1 235 . 1 1 24 24 LEU HD12 H 1 0.480 0.03 . 1 . . . . . . . . 5299 1 236 . 1 1 24 24 LEU HD13 H 1 0.480 0.03 . 1 . . . . . . . . 5299 1 237 . 1 1 24 24 LEU CD2 C 13 21.220 0.12 . 1 . . . . . . . . 5299 1 238 . 1 1 24 24 LEU HD21 H 1 0.036 0.03 . 1 . . . . . . . . 5299 1 239 . 1 1 24 24 LEU HD22 H 1 0.036 0.03 . 1 . . . . . . . . 5299 1 240 . 1 1 24 24 LEU HD23 H 1 0.036 0.03 . 1 . . . . . . . . 5299 1 241 . 1 1 24 24 LEU C C 13 179.610 0.12 . 1 . . . . . . . . 5299 1 242 . 1 1 25 25 TYR N N 15 116.360 0.15 . 1 . . . . . . . . 5299 1 243 . 1 1 25 25 TYR H H 1 8.020 0.03 . 1 . . . . . . . . 5299 1 244 . 1 1 25 25 TYR CA C 13 60.951 0.12 . 1 . . . . . . . . 5299 1 245 . 1 1 25 25 TYR HA H 1 3.470 0.03 . 1 . . . . . . . . 5299 1 246 . 1 1 25 25 TYR CB C 13 37.603 0.12 . 1 . . . . . . . . 5299 1 247 . 1 1 25 25 TYR HD1 H 1 6.430 0.03 . 1 . . . . . . . . 5299 1 248 . 1 1 25 25 TYR HE1 H 1 6.640 0.03 . 1 . . . . . . . . 5299 1 249 . 1 1 25 25 TYR HE2 H 1 6.640 0.03 . 1 . . . . . . . . 5299 1 250 . 1 1 25 25 TYR HD2 H 1 6.430 0.03 . 1 . . . . . . . . 5299 1 251 . 1 1 25 25 TYR C C 13 180.330 0.12 . 1 . . . . . . . . 5299 1 252 . 1 1 26 26 GLN N N 15 118.009 0.15 . 1 . . . . . . . . 5299 1 253 . 1 1 26 26 GLN H H 1 8.851 0.03 . 1 . . . . . . . . 5299 1 254 . 1 1 26 26 GLN CA C 13 58.093 0.12 . 1 . . . . . . . . 5299 1 255 . 1 1 26 26 GLN HA H 1 3.660 0.03 . 1 . . . . . . . . 5299 1 256 . 1 1 26 26 GLN CB C 13 27.942 0.12 . 1 . . . . . . . . 5299 1 257 . 1 1 26 26 GLN HB2 H 1 2.280 0.03 . 2 . . . . . . . . 5299 1 258 . 1 1 26 26 GLN CG C 13 34.660 0.12 . 1 . . . . . . . . 5299 1 259 . 1 1 26 26 GLN HG2 H 1 2.430 0.03 . 2 . . . . . . . . 5299 1 260 . 1 1 26 26 GLN NE2 N 15 113.360 0.15 . 1 . . . . . . . . 5299 1 261 . 1 1 26 26 GLN HE22 H 1 7.590 0.03 . 2 . . . . . . . . 5299 1 262 . 1 1 26 26 GLN HE21 H 1 6.860 0.03 . 2 . . . . . . . . 5299 1 263 . 1 1 26 26 GLN C C 13 179.070 0.12 . 1 . . . . . . . . 5299 1 264 . 1 1 27 27 ARG N N 15 113.154 0.15 . 1 . . . . . . . . 5299 1 265 . 1 1 27 27 ARG H H 1 8.155 0.03 . 1 . . . . . . . . 5299 1 266 . 1 1 27 27 ARG CA C 13 52.803 0.12 . 1 . . . . . . . . 5299 1 267 . 1 1 27 27 ARG HA H 1 4.430 0.03 . 1 . . . . . . . . 5299 1 268 . 1 1 27 27 ARG CB C 13 25.604 0.12 . 1 . . . . . . . . 5299 1 269 . 1 1 27 27 ARG HB2 H 1 1.960 0.03 . 2 . . . . . . . . 5299 1 270 . 1 1 27 27 ARG HB3 H 1 1.810 0.03 . 2 . . . . . . . . 5299 1 271 . 1 1 27 27 ARG HD2 H 1 3.360 0.03 . 2 . . . . . . . . 5299 1 272 . 1 1 27 27 ARG C C 13 176.910 0.12 . 1 . . . . . . . . 5299 1 273 . 1 1 28 28 GLY N N 15 106.607 0.15 . 1 . . . . . . . . 5299 1 274 . 1 1 28 28 GLY H H 1 7.364 0.03 . 1 . . . . . . . . 5299 1 275 . 1 1 28 28 GLY CA C 13 46.569 0.12 . 1 . . . . . . . . 5299 1 276 . 1 1 28 28 GLY HA2 H 1 3.920 0.03 . 2 . . . . . . . . 5299 1 277 . 1 1 28 28 GLY HA3 H 1 3.810 0.03 . 2 . . . . . . . . 5299 1 278 . 1 1 28 28 GLY C C 13 175.760 0.12 . 1 . . . . . . . . 5299 1 279 . 1 1 29 29 ILE N N 15 118.004 0.15 . 1 . . . . . . . . 5299 1 280 . 1 1 29 29 ILE H H 1 8.189 0.03 . 1 . . . . . . . . 5299 1 281 . 1 1 29 29 ILE CA C 13 61.470 0.12 . 1 . . . . . . . . 5299 1 282 . 1 1 29 29 ILE HA H 1 3.700 0.03 . 1 . . . . . . . . 5299 1 283 . 1 1 29 29 ILE CB C 13 35.392 0.12 . 1 . . . . . . . . 5299 1 284 . 1 1 29 29 ILE CD1 C 13 10.160 0.12 . 1 . . . . . . . . 5299 1 285 . 1 1 29 29 ILE HD11 H 1 0.680 0.03 . 1 . . . . . . . . 5299 1 286 . 1 1 29 29 ILE HD12 H 1 0.680 0.03 . 1 . . . . . . . . 5299 1 287 . 1 1 29 29 ILE HD13 H 1 0.680 0.03 . 1 . . . . . . . . 5299 1 288 . 1 1 29 29 ILE CG2 C 13 18.390 0.12 . 1 . . . . . . . . 5299 1 289 . 1 1 29 29 ILE HG21 H 1 0.920 0.03 . 1 . . . . . . . . 5299 1 290 . 1 1 29 29 ILE HG22 H 1 0.920 0.03 . 1 . . . . . . . . 5299 1 291 . 1 1 29 29 ILE HG23 H 1 0.920 0.03 . 1 . . . . . . . . 5299 1 292 . 1 1 29 29 ILE C C 13 176.910 0.12 . 1 . . . . . . . . 5299 1 293 . 1 1 30 30 TYR N N 15 114.016 0.15 . 1 . . . . . . . . 5299 1 294 . 1 1 30 30 TYR H H 1 7.186 0.03 . 1 . . . . . . . . 5299 1 295 . 1 1 30 30 TYR CA C 13 55.198 0.12 . 1 . . . . . . . . 5299 1 296 . 1 1 30 30 TYR HA H 1 4.800 0.03 . 1 . . . . . . . . 5299 1 297 . 1 1 30 30 TYR CB C 13 40.803 0.12 . 1 . . . . . . . . 5299 1 298 . 1 1 30 30 TYR HB2 H 1 3.020 0.03 . 2 . . . . . . . . 5299 1 299 . 1 1 30 30 TYR HB3 H 1 2.810 0.03 . 2 . . . . . . . . 5299 1 300 . 1 1 30 30 TYR HD1 H 1 7.060 0.03 . 1 . . . . . . . . 5299 1 301 . 1 1 30 30 TYR HE1 H 1 6.860 0.03 . 1 . . . . . . . . 5299 1 302 . 1 1 30 30 TYR HH H 1 6.230 0.03 . 1 . . . . . . . . 5299 1 303 . 1 1 30 30 TYR HE2 H 1 6.860 0.03 . 1 . . . . . . . . 5299 1 304 . 1 1 30 30 TYR HD2 H 1 7.060 0.03 . 1 . . . . . . . . 5299 1 305 . 1 1 32 32 SER CA C 13 62.704 0.12 . 1 . . . . . . . . 5299 1 306 . 1 1 32 32 SER HA H 1 5.230 0.03 . 1 . . . . . . . . 5299 1 307 . 1 1 32 32 SER HB2 H 1 4.090 0.03 . 2 . . . . . . . . 5299 1 308 . 1 1 32 32 SER C C 13 177.080 0.12 . 1 . . . . . . . . 5299 1 309 . 1 1 33 33 GLU N N 15 119.082 0.15 . 1 . . . . . . . . 5299 1 310 . 1 1 33 33 GLU H H 1 9.616 0.03 . 1 . . . . . . . . 5299 1 311 . 1 1 33 33 GLU CA C 13 58.552 0.12 . 1 . . . . . . . . 5299 1 312 . 1 1 33 33 GLU HA H 1 4.550 0.03 . 1 . . . . . . . . 5299 1 313 . 1 1 33 33 GLU CB C 13 27.887 0.12 . 1 . . . . . . . . 5299 1 314 . 1 1 33 33 GLU HB2 H 1 2.220 0.03 . 2 . . . . . . . . 5299 1 315 . 1 1 33 33 GLU CG C 13 36.230 0.12 . 1 . . . . . . . . 5299 1 316 . 1 1 33 33 GLU HG2 H 1 2.330 0.03 . 2 . . . . . . . . 5299 1 317 . 1 1 33 33 GLU C C 13 177.890 0.12 . 1 . . . . . . . . 5299 1 318 . 1 1 34 34 THR N N 15 110.163 0.15 . 1 . . . . . . . . 5299 1 319 . 1 1 34 34 THR H H 1 8.184 0.03 . 1 . . . . . . . . 5299 1 320 . 1 1 34 34 THR CA C 13 61.893 0.12 . 1 . . . . . . . . 5299 1 321 . 1 1 34 34 THR HA H 1 5.230 0.03 . 1 . . . . . . . . 5299 1 322 . 1 1 34 34 THR CB C 13 69.114 0.12 . 1 . . . . . . . . 5299 1 323 . 1 1 34 34 THR HB H 1 4.350 0.03 . 1 . . . . . . . . 5299 1 324 . 1 1 34 34 THR CG2 C 13 22.900 0.12 . 1 . . . . . . . . 5299 1 325 . 1 1 34 34 THR HG21 H 1 1.310 0.03 . 1 . . . . . . . . 5299 1 326 . 1 1 34 34 THR HG22 H 1 1.310 0.03 . 1 . . . . . . . . 5299 1 327 . 1 1 34 34 THR HG23 H 1 1.310 0.03 . 1 . . . . . . . . 5299 1 328 . 1 1 34 34 THR C C 13 172.650 0.12 . 1 . . . . . . . . 5299 1 329 . 1 1 35 35 PHE N N 15 118.640 0.15 . 1 . . . . . . . . 5299 1 330 . 1 1 35 35 PHE H H 1 7.627 0.03 . 1 . . . . . . . . 5299 1 331 . 1 1 35 35 PHE CA C 13 56.864 0.12 . 1 . . . . . . . . 5299 1 332 . 1 1 35 35 PHE HA H 1 5.230 0.03 . 1 . . . . . . . . 5299 1 333 . 1 1 35 35 PHE CB C 13 42.653 0.12 . 1 . . . . . . . . 5299 1 334 . 1 1 35 35 PHE HB2 H 1 2.910 0.03 . 2 . . . . . . . . 5299 1 335 . 1 1 35 35 PHE HB3 H 1 2.670 0.03 . 2 . . . . . . . . 5299 1 336 . 1 1 35 35 PHE HD1 H 1 7.080 0.03 . 1 . . . . . . . . 5299 1 337 . 1 1 35 35 PHE HE1 H 1 7.320 0.03 . 1 . . . . . . . . 5299 1 338 . 1 1 35 35 PHE HE2 H 1 7.320 0.03 . 1 . . . . . . . . 5299 1 339 . 1 1 35 35 PHE HD2 H 1 7.080 0.03 . 1 . . . . . . . . 5299 1 340 . 1 1 35 35 PHE C C 13 175.530 0.12 . 1 . . . . . . . . 5299 1 341 . 1 1 36 36 THR N N 15 116.316 0.15 . 1 . . . . . . . . 5299 1 342 . 1 1 36 36 THR H H 1 9.513 0.03 . 1 . . . . . . . . 5299 1 343 . 1 1 36 36 THR CA C 13 59.351 0.12 . 1 . . . . . . . . 5299 1 344 . 1 1 36 36 THR HA H 1 4.750 0.03 . 1 . . . . . . . . 5299 1 345 . 1 1 36 36 THR CB C 13 70.885 0.12 . 1 . . . . . . . . 5299 1 346 . 1 1 36 36 THR HB H 1 3.790 0.03 . 1 . . . . . . . . 5299 1 347 . 1 1 36 36 THR CG2 C 13 19.720 0.12 . 1 . . . . . . . . 5299 1 348 . 1 1 36 36 THR HG21 H 1 0.950 0.03 . 1 . . . . . . . . 5299 1 349 . 1 1 36 36 THR HG22 H 1 0.950 0.03 . 1 . . . . . . . . 5299 1 350 . 1 1 36 36 THR HG23 H 1 0.950 0.03 . 1 . . . . . . . . 5299 1 351 . 1 1 36 36 THR C C 13 172.610 0.12 . 1 . . . . . . . . 5299 1 352 . 1 1 37 37 ARG N N 15 123.078 0.15 . 1 . . . . . . . . 5299 1 353 . 1 1 37 37 ARG H H 1 7.650 0.03 . 1 . . . . . . . . 5299 1 354 . 1 1 37 37 ARG CA C 13 56.177 0.12 . 1 . . . . . . . . 5299 1 355 . 1 1 37 37 ARG HA H 1 5.130 0.03 . 1 . . . . . . . . 5299 1 356 . 1 1 37 37 ARG CB C 13 31.364 0.12 . 1 . . . . . . . . 5299 1 357 . 1 1 37 37 ARG HB2 H 1 1.640 0.03 . 2 . . . . . . . . 5299 1 358 . 1 1 37 37 ARG CD C 13 43.620 0.12 . 1 . . . . . . . . 5299 1 359 . 1 1 37 37 ARG HD2 H 1 3.070 0.03 . 2 . . . . . . . . 5299 1 360 . 1 1 37 37 ARG C C 13 177.490 0.12 . 1 . . . . . . . . 5299 1 361 . 1 1 38 38 VAL N N 15 119.949 0.15 . 1 . . . . . . . . 5299 1 362 . 1 1 38 38 VAL H H 1 9.340 0.03 . 1 . . . . . . . . 5299 1 363 . 1 1 38 38 VAL CA C 13 59.810 0.12 . 1 . . . . . . . . 5299 1 364 . 1 1 38 38 VAL HA H 1 4.520 0.03 . 1 . . . . . . . . 5299 1 365 . 1 1 38 38 VAL CB C 13 35.501 0.12 . 1 . . . . . . . . 5299 1 366 . 1 1 38 38 VAL HB H 1 2.080 0.03 . 1 . . . . . . . . 5299 1 367 . 1 1 38 38 VAL CG2 C 13 20.360 0.12 . 1 . . . . . . . . 5299 1 368 . 1 1 38 38 VAL HG21 H 1 0.850 0.03 . 1 . . . . . . . . 5299 1 369 . 1 1 38 38 VAL HG22 H 1 0.850 0.03 . 1 . . . . . . . . 5299 1 370 . 1 1 38 38 VAL HG23 H 1 0.850 0.03 . 1 . . . . . . . . 5299 1 371 . 1 1 38 38 VAL C C 13 174.100 0.12 . 1 . . . . . . . . 5299 1 372 . 1 1 39 39 GLN N N 15 120.662 0.15 . 1 . . . . . . . . 5299 1 373 . 1 1 39 39 GLN H H 1 8.230 0.03 . 1 . . . . . . . . 5299 1 374 . 1 1 39 39 GLN CA C 13 54.182 0.12 . 1 . . . . . . . . 5299 1 375 . 1 1 39 39 GLN HA H 1 5.230 0.03 . 1 . . . . . . . . 5299 1 376 . 1 1 39 39 GLN CB C 13 29.342 0.12 . 1 . . . . . . . . 5299 1 377 . 1 1 39 39 GLN HB2 H 1 1.890 0.03 . 2 . . . . . . . . 5299 1 378 . 1 1 39 39 GLN HB3 H 1 2.050 0.03 . 2 . . . . . . . . 5299 1 379 . 1 1 39 39 GLN CG C 13 34.110 0.12 . 1 . . . . . . . . 5299 1 380 . 1 1 39 39 GLN HG2 H 1 2.220 0.03 . 2 . . . . . . . . 5299 1 381 . 1 1 39 39 GLN NE2 N 15 112.190 0.15 . 1 . . . . . . . . 5299 1 382 . 1 1 39 39 GLN HE22 H 1 6.750 0.03 . 2 . . . . . . . . 5299 1 383 . 1 1 39 39 GLN HE21 H 1 7.310 0.03 . 2 . . . . . . . . 5299 1 384 . 1 1 39 39 GLN C C 13 176.320 0.12 . 1 . . . . . . . . 5299 1 385 . 1 1 40 40 LYS N N 15 126.777 0.15 . 1 . . . . . . . . 5299 1 386 . 1 1 40 40 LYS H H 1 8.635 0.03 . 1 . . . . . . . . 5299 1 387 . 1 1 40 40 LYS CA C 13 55.522 0.12 . 1 . . . . . . . . 5299 1 388 . 1 1 40 40 LYS HA H 1 3.900 0.03 . 1 . . . . . . . . 5299 1 389 . 1 1 40 40 LYS CB C 13 33.899 0.12 . 1 . . . . . . . . 5299 1 390 . 1 1 40 40 LYS HB2 H 1 1.880 0.03 . 2 . . . . . . . . 5299 1 391 . 1 1 40 40 LYS CD C 13 22.330 0.12 . 1 . . . . . . . . 5299 1 392 . 1 1 40 40 LYS HD2 H 1 -0.610 0.03 . 2 . . . . . . . . 5299 1 393 . 1 1 40 40 LYS C C 13 175.380 0.12 . 1 . . . . . . . . 5299 1 394 . 1 1 41 41 TYR N N 15 119.448 0.15 . 1 . . . . . . . . 5299 1 395 . 1 1 41 41 TYR H H 1 8.514 0.03 . 1 . . . . . . . . 5299 1 396 . 1 1 41 41 TYR CA C 13 57.900 0.12 . 1 . . . . . . . . 5299 1 397 . 1 1 41 41 TYR HA H 1 4.060 0.03 . 1 . . . . . . . . 5299 1 398 . 1 1 41 41 TYR CB C 13 35.661 0.12 . 1 . . . . . . . . 5299 1 399 . 1 1 41 41 TYR HB2 H 1 3.020 0.03 . 2 . . . . . . . . 5299 1 400 . 1 1 41 41 TYR HD1 H 1 6.590 0.03 . 1 . . . . . . . . 5299 1 401 . 1 1 41 41 TYR HE1 H 1 6.440 0.03 . 1 . . . . . . . . 5299 1 402 . 1 1 41 41 TYR HE2 H 1 6.440 0.03 . 1 . . . . . . . . 5299 1 403 . 1 1 41 41 TYR HD2 H 1 6.590 0.03 . 1 . . . . . . . . 5299 1 404 . 1 1 41 41 TYR C C 13 176.430 0.12 . 1 . . . . . . . . 5299 1 405 . 1 1 42 42 GLY N N 15 105.479 0.15 . 1 . . . . . . . . 5299 1 406 . 1 1 42 42 GLY H H 1 8.635 0.03 . 1 . . . . . . . . 5299 1 407 . 1 1 42 42 GLY CA C 13 45.541 0.12 . 1 . . . . . . . . 5299 1 408 . 1 1 42 42 GLY HA2 H 1 3.560 0.03 . 2 . . . . . . . . 5299 1 409 . 1 1 42 42 GLY HA3 H 1 4.060 0.03 . 2 . . . . . . . . 5299 1 410 . 1 1 42 42 GLY C C 13 174.580 0.12 . 1 . . . . . . . . 5299 1 411 . 1 1 43 43 LEU N N 15 121.448 0.15 . 1 . . . . . . . . 5299 1 412 . 1 1 43 43 LEU H H 1 7.989 0.03 . 1 . . . . . . . . 5299 1 413 . 1 1 43 43 LEU CA C 13 53.123 0.12 . 1 . . . . . . . . 5299 1 414 . 1 1 43 43 LEU HA H 1 5.180 0.03 . 1 . . . . . . . . 5299 1 415 . 1 1 43 43 LEU CB C 13 44.441 0.12 . 1 . . . . . . . . 5299 1 416 . 1 1 43 43 LEU HB2 H 1 1.900 0.03 . 2 . . . . . . . . 5299 1 417 . 1 1 43 43 LEU HG H 1 1.420 0.03 . 1 . . . . . . . . 5299 1 418 . 1 1 43 43 LEU CD1 C 13 26.900 0.12 . 1 . . . . . . . . 5299 1 419 . 1 1 43 43 LEU HD11 H 1 1.030 0.03 . 1 . . . . . . . . 5299 1 420 . 1 1 43 43 LEU HD12 H 1 1.030 0.03 . 1 . . . . . . . . 5299 1 421 . 1 1 43 43 LEU HD13 H 1 1.030 0.03 . 1 . . . . . . . . 5299 1 422 . 1 1 43 43 LEU CD2 C 13 23.220 0.12 . 1 . . . . . . . . 5299 1 423 . 1 1 43 43 LEU HD21 H 1 0.930 0.03 . 1 . . . . . . . . 5299 1 424 . 1 1 43 43 LEU HD22 H 1 0.930 0.03 . 1 . . . . . . . . 5299 1 425 . 1 1 43 43 LEU HD23 H 1 0.930 0.03 . 1 . . . . . . . . 5299 1 426 . 1 1 43 43 LEU C C 13 176.290 0.12 . 1 . . . . . . . . 5299 1 427 . 1 1 44 44 THR N N 15 116.424 0.15 . 1 . . . . . . . . 5299 1 428 . 1 1 44 44 THR H H 1 8.207 0.03 . 1 . . . . . . . . 5299 1 429 . 1 1 44 44 THR CA C 13 62.713 0.12 . 1 . . . . . . . . 5299 1 430 . 1 1 44 44 THR HA H 1 5.210 0.03 . 1 . . . . . . . . 5299 1 431 . 1 1 44 44 THR CB C 13 68.388 0.12 . 1 . . . . . . . . 5299 1 432 . 1 1 44 44 THR HB H 1 3.960 0.03 . 1 . . . . . . . . 5299 1 433 . 1 1 44 44 THR CG2 C 13 22.270 0.12 . 1 . . . . . . . . 5299 1 434 . 1 1 44 44 THR HG21 H 1 1.060 0.03 . 1 . . . . . . . . 5299 1 435 . 1 1 44 44 THR HG22 H 1 1.060 0.03 . 1 . . . . . . . . 5299 1 436 . 1 1 44 44 THR HG23 H 1 1.060 0.03 . 1 . . . . . . . . 5299 1 437 . 1 1 44 44 THR C C 13 174.340 0.12 . 1 . . . . . . . . 5299 1 438 . 1 1 45 45 LEU N N 15 129.384 0.15 . 1 . . . . . . . . 5299 1 439 . 1 1 45 45 LEU H H 1 9.158 0.03 . 1 . . . . . . . . 5299 1 440 . 1 1 45 45 LEU CA C 13 53.138 0.12 . 1 . . . . . . . . 5299 1 441 . 1 1 45 45 LEU HA H 1 4.520 0.03 . 1 . . . . . . . . 5299 1 442 . 1 1 45 45 LEU CB C 13 43.229 0.12 . 1 . . . . . . . . 5299 1 443 . 1 1 45 45 LEU HB2 H 1 1.740 0.03 . 2 . . . . . . . . 5299 1 444 . 1 1 45 45 LEU HG H 1 1.420 0.03 . 1 . . . . . . . . 5299 1 445 . 1 1 45 45 LEU CD1 C 13 27.140 0.12 . 1 . . . . . . . . 5299 1 446 . 1 1 45 45 LEU HD11 H 1 0.700 0.03 . 1 . . . . . . . . 5299 1 447 . 1 1 45 45 LEU HD12 H 1 0.700 0.03 . 1 . . . . . . . . 5299 1 448 . 1 1 45 45 LEU HD13 H 1 0.700 0.03 . 1 . . . . . . . . 5299 1 449 . 1 1 45 45 LEU CD2 C 13 23.970 0.12 . 1 . . . . . . . . 5299 1 450 . 1 1 45 45 LEU HD21 H 1 0.860 0.03 . 1 . . . . . . . . 5299 1 451 . 1 1 45 45 LEU HD22 H 1 0.860 0.03 . 1 . . . . . . . . 5299 1 452 . 1 1 45 45 LEU HD23 H 1 0.860 0.03 . 1 . . . . . . . . 5299 1 453 . 1 1 45 45 LEU C C 13 174.520 0.12 . 1 . . . . . . . . 5299 1 454 . 1 1 46 46 LEU N N 15 122.285 0.15 . 1 . . . . . . . . 5299 1 455 . 1 1 46 46 LEU H H 1 7.784 0.03 . 1 . . . . . . . . 5299 1 456 . 1 1 46 46 LEU CA C 13 52.356 0.12 . 1 . . . . . . . . 5299 1 457 . 1 1 46 46 LEU HA H 1 5.170 0.03 . 1 . . . . . . . . 5299 1 458 . 1 1 46 46 LEU CB C 13 40.829 0.12 . 1 . . . . . . . . 5299 1 459 . 1 1 46 46 LEU HB2 H 1 1.970 0.03 . 2 . . . . . . . . 5299 1 460 . 1 1 46 46 LEU HG H 1 1.390 0.03 . 1 . . . . . . . . 5299 1 461 . 1 1 46 46 LEU CD1 C 13 23.810 0.12 . 1 . . . . . . . . 5299 1 462 . 1 1 46 46 LEU HD11 H 1 0.290 0.03 . 1 . . . . . . . . 5299 1 463 . 1 1 46 46 LEU HD12 H 1 0.290 0.03 . 1 . . . . . . . . 5299 1 464 . 1 1 46 46 LEU HD13 H 1 0.290 0.03 . 1 . . . . . . . . 5299 1 465 . 1 1 46 46 LEU CD2 C 13 23.810 0.12 . 1 . . . . . . . . 5299 1 466 . 1 1 46 46 LEU HD21 H 1 0.400 0.03 . 1 . . . . . . . . 5299 1 467 . 1 1 46 46 LEU HD22 H 1 0.400 0.03 . 1 . . . . . . . . 5299 1 468 . 1 1 46 46 LEU HD23 H 1 0.400 0.03 . 1 . . . . . . . . 5299 1 469 . 1 1 46 46 LEU C C 13 177.530 0.12 . 1 . . . . . . . . 5299 1 470 . 1 1 47 47 VAL N N 15 112.113 0.15 . 1 . . . . . . . . 5299 1 471 . 1 1 47 47 VAL H H 1 8.804 0.03 . 1 . . . . . . . . 5299 1 472 . 1 1 47 47 VAL CA C 13 58.706 0.12 . 1 . . . . . . . . 5299 1 473 . 1 1 47 47 VAL HA H 1 4.680 0.03 . 1 . . . . . . . . 5299 1 474 . 1 1 47 47 VAL CB C 13 35.542 0.12 . 1 . . . . . . . . 5299 1 475 . 1 1 47 47 VAL HB H 1 2.020 0.03 . 1 . . . . . . . . 5299 1 476 . 1 1 47 47 VAL CG2 C 13 19.770 0.12 . 1 . . . . . . . . 5299 1 477 . 1 1 47 47 VAL HG21 H 1 0.750 0.03 . 1 . . . . . . . . 5299 1 478 . 1 1 47 47 VAL HG22 H 1 0.750 0.03 . 1 . . . . . . . . 5299 1 479 . 1 1 47 47 VAL HG23 H 1 0.750 0.03 . 1 . . . . . . . . 5299 1 480 . 1 1 47 47 VAL CG1 C 13 22.480 0.12 . 1 . . . . . . . . 5299 1 481 . 1 1 47 47 VAL HG11 H 1 0.790 0.03 . 1 . . . . . . . . 5299 1 482 . 1 1 47 47 VAL HG12 H 1 0.790 0.03 . 1 . . . . . . . . 5299 1 483 . 1 1 47 47 VAL HG13 H 1 0.790 0.03 . 1 . . . . . . . . 5299 1 484 . 1 1 47 47 VAL C C 13 176.350 0.12 . 1 . . . . . . . . 5299 1 485 . 1 1 48 48 THR N N 15 117.756 0.15 . 1 . . . . . . . . 5299 1 486 . 1 1 48 48 THR H H 1 8.014 0.03 . 1 . . . . . . . . 5299 1 487 . 1 1 48 48 THR CA C 13 62.410 0.12 . 1 . . . . . . . . 5299 1 488 . 1 1 48 48 THR HA H 1 4.370 0.03 . 1 . . . . . . . . 5299 1 489 . 1 1 48 48 THR CB C 13 67.893 0.12 . 1 . . . . . . . . 5299 1 490 . 1 1 48 48 THR HB H 1 3.820 0.03 . 1 . . . . . . . . 5299 1 491 . 1 1 48 48 THR CG2 C 13 19.550 0.12 . 1 . . . . . . . . 5299 1 492 . 1 1 48 48 THR HG21 H 1 0.980 0.03 . 1 . . . . . . . . 5299 1 493 . 1 1 48 48 THR HG22 H 1 0.980 0.03 . 1 . . . . . . . . 5299 1 494 . 1 1 48 48 THR HG23 H 1 0.980 0.03 . 1 . . . . . . . . 5299 1 495 . 1 1 48 48 THR C C 13 174.040 0.12 . 1 . . . . . . . . 5299 1 496 . 1 1 49 49 THR N N 15 114.083 0.15 . 1 . . . . . . . . 5299 1 497 . 1 1 49 49 THR H H 1 8.031 0.03 . 1 . . . . . . . . 5299 1 498 . 1 1 49 49 THR CA C 13 60.990 0.12 . 1 . . . . . . . . 5299 1 499 . 1 1 49 49 THR HA H 1 4.350 0.03 . 1 . . . . . . . . 5299 1 500 . 1 1 49 49 THR CB C 13 69.542 0.12 . 1 . . . . . . . . 5299 1 501 . 1 1 49 49 THR HB H 1 3.790 0.03 . 1 . . . . . . . . 5299 1 502 . 1 1 49 49 THR CG2 C 13 21.710 0.12 . 1 . . . . . . . . 5299 1 503 . 1 1 49 49 THR HG21 H 1 1.050 0.03 . 1 . . . . . . . . 5299 1 504 . 1 1 49 49 THR HG22 H 1 1.050 0.03 . 1 . . . . . . . . 5299 1 505 . 1 1 49 49 THR HG23 H 1 1.050 0.03 . 1 . . . . . . . . 5299 1 506 . 1 1 49 49 THR C C 13 175.760 0.12 . 1 . . . . . . . . 5299 1 507 . 1 1 50 50 ASP N N 15 127.791 0.15 . 1 . . . . . . . . 5299 1 508 . 1 1 50 50 ASP H H 1 8.800 0.03 . 1 . . . . . . . . 5299 1 509 . 1 1 50 50 ASP CA C 13 54.613 0.12 . 1 . . . . . . . . 5299 1 510 . 1 1 50 50 ASP HA H 1 4.360 0.03 . 1 . . . . . . . . 5299 1 511 . 1 1 50 50 ASP CB C 13 42.329 0.12 . 1 . . . . . . . . 5299 1 512 . 1 1 50 50 ASP HB2 H 1 2.230 0.03 . 2 . . . . . . . . 5299 1 513 . 1 1 50 50 ASP HB3 H 1 2.680 0.03 . 2 . . . . . . . . 5299 1 514 . 1 1 50 50 ASP C C 13 176.650 0.12 . 1 . . . . . . . . 5299 1 515 . 1 1 51 51 LEU N N 15 127.082 0.15 . 1 . . . . . . . . 5299 1 516 . 1 1 51 51 LEU H H 1 8.521 0.03 . 1 . . . . . . . . 5299 1 517 . 1 1 51 51 LEU CA C 13 58.748 0.12 . 1 . . . . . . . . 5299 1 518 . 1 1 51 51 LEU HA H 1 3.890 0.03 . 1 . . . . . . . . 5299 1 519 . 1 1 51 51 LEU CB C 13 41.252 0.12 . 1 . . . . . . . . 5299 1 520 . 1 1 51 51 LEU HB2 H 1 1.800 0.03 . 2 . . . . . . . . 5299 1 521 . 1 1 51 51 LEU HG H 1 1.550 0.03 . 1 . . . . . . . . 5299 1 522 . 1 1 51 51 LEU CD1 C 13 24.620 0.12 . 1 . . . . . . . . 5299 1 523 . 1 1 51 51 LEU HD11 H 1 0.870 0.03 . 1 . . . . . . . . 5299 1 524 . 1 1 51 51 LEU HD12 H 1 0.870 0.03 . 1 . . . . . . . . 5299 1 525 . 1 1 51 51 LEU HD13 H 1 0.870 0.03 . 1 . . . . . . . . 5299 1 526 . 1 1 51 51 LEU C C 13 180.370 0.12 . 1 . . . . . . . . 5299 1 527 . 1 1 52 52 GLU N N 15 116.885 0.15 . 1 . . . . . . . . 5299 1 528 . 1 1 52 52 GLU H H 1 7.998 0.03 . 1 . . . . . . . . 5299 1 529 . 1 1 52 52 GLU CA C 13 58.861 0.12 . 1 . . . . . . . . 5299 1 530 . 1 1 52 52 GLU HA H 1 4.120 0.03 . 1 . . . . . . . . 5299 1 531 . 1 1 52 52 GLU CB C 13 28.595 0.12 . 1 . . . . . . . . 5299 1 532 . 1 1 52 52 GLU HB2 H 1 2.240 0.03 . 2 . . . . . . . . 5299 1 533 . 1 1 52 52 GLU CG C 13 36.620 0.12 . 1 . . . . . . . . 5299 1 534 . 1 1 52 52 GLU HG2 H 1 2.400 0.03 . 2 . . . . . . . . 5299 1 535 . 1 1 52 52 GLU C C 13 180.400 0.12 . 1 . . . . . . . . 5299 1 536 . 1 1 53 53 LEU N N 15 124.918 0.15 . 1 . . . . . . . . 5299 1 537 . 1 1 53 53 LEU H H 1 8.656 0.03 . 1 . . . . . . . . 5299 1 538 . 1 1 53 53 LEU CA C 13 57.390 0.12 . 1 . . . . . . . . 5299 1 539 . 1 1 53 53 LEU HA H 1 4.240 0.03 . 1 . . . . . . . . 5299 1 540 . 1 1 53 53 LEU CB C 13 40.445 0.12 . 1 . . . . . . . . 5299 1 541 . 1 1 53 53 LEU HB2 H 1 1.940 0.03 . 2 . . . . . . . . 5299 1 542 . 1 1 53 53 LEU HG H 1 1.330 0.03 . 1 . . . . . . . . 5299 1 543 . 1 1 53 53 LEU CD1 C 13 23.220 0.12 . 1 . . . . . . . . 5299 1 544 . 1 1 53 53 LEU HD11 H 1 0.810 0.03 . 1 . . . . . . . . 5299 1 545 . 1 1 53 53 LEU HD12 H 1 0.810 0.03 . 1 . . . . . . . . 5299 1 546 . 1 1 53 53 LEU HD13 H 1 0.810 0.03 . 1 . . . . . . . . 5299 1 547 . 1 1 53 53 LEU CD2 C 13 23.410 0.12 . 1 . . . . . . . . 5299 1 548 . 1 1 53 53 LEU HD21 H 1 0.310 0.03 . 1 . . . . . . . . 5299 1 549 . 1 1 53 53 LEU HD22 H 1 0.310 0.03 . 1 . . . . . . . . 5299 1 550 . 1 1 53 53 LEU HD23 H 1 0.310 0.03 . 1 . . . . . . . . 5299 1 551 . 1 1 53 53 LEU C C 13 179.280 0.12 . 1 . . . . . . . . 5299 1 552 . 1 1 54 54 ILE N N 15 120.303 0.15 . 1 . . . . . . . . 5299 1 553 . 1 1 54 54 ILE H H 1 8.862 0.03 . 1 . . . . . . . . 5299 1 554 . 1 1 54 54 ILE CA C 13 65.825 0.12 . 1 . . . . . . . . 5299 1 555 . 1 1 54 54 ILE HA H 1 3.430 0.03 . 1 . . . . . . . . 5299 1 556 . 1 1 54 54 ILE CB C 13 37.768 0.12 . 1 . . . . . . . . 5299 1 557 . 1 1 54 54 ILE HB H 1 1.920 0.03 . 1 . . . . . . . . 5299 1 558 . 1 1 54 54 ILE CG1 C 13 30.470 0.12 . 1 . . . . . . . . 5299 1 559 . 1 1 54 54 ILE HG12 H 1 1.740 0.03 . 2 . . . . . . . . 5299 1 560 . 1 1 54 54 ILE CD1 C 13 13.950 0.12 . 1 . . . . . . . . 5299 1 561 . 1 1 54 54 ILE HD11 H 1 0.660 0.03 . 1 . . . . . . . . 5299 1 562 . 1 1 54 54 ILE HD12 H 1 0.660 0.03 . 1 . . . . . . . . 5299 1 563 . 1 1 54 54 ILE HD13 H 1 0.660 0.03 . 1 . . . . . . . . 5299 1 564 . 1 1 54 54 ILE CG2 C 13 17.160 0.12 . 1 . . . . . . . . 5299 1 565 . 1 1 54 54 ILE HG21 H 1 0.790 0.03 . 1 . . . . . . . . 5299 1 566 . 1 1 54 54 ILE HG22 H 1 0.790 0.03 . 1 . . . . . . . . 5299 1 567 . 1 1 54 54 ILE HG23 H 1 0.790 0.03 . 1 . . . . . . . . 5299 1 568 . 1 1 54 54 ILE C C 13 179.330 0.12 . 1 . . . . . . . . 5299 1 569 . 1 1 55 55 LYS N N 15 119.092 0.15 . 1 . . . . . . . . 5299 1 570 . 1 1 55 55 LYS H H 1 7.450 0.03 . 1 . . . . . . . . 5299 1 571 . 1 1 55 55 LYS CA C 13 59.750 0.12 . 1 . . . . . . . . 5299 1 572 . 1 1 55 55 LYS HA H 1 3.950 0.03 . 1 . . . . . . . . 5299 1 573 . 1 1 55 55 LYS CB C 13 31.887 0.12 . 1 . . . . . . . . 5299 1 574 . 1 1 55 55 LYS HB2 H 1 1.890 0.03 . 2 . . . . . . . . 5299 1 575 . 1 1 55 55 LYS HB3 H 1 1.710 0.03 . 2 . . . . . . . . 5299 1 576 . 1 1 55 55 LYS CG C 13 24.840 0.12 . 1 . . . . . . . . 5299 1 577 . 1 1 55 55 LYS HG2 H 1 1.440 0.03 . 2 . . . . . . . . 5299 1 578 . 1 1 55 55 LYS HE2 H 1 2.900 0.03 . 2 . . . . . . . . 5299 1 579 . 1 1 55 55 LYS C C 13 179.260 0.12 . 1 . . . . . . . . 5299 1 580 . 1 1 56 56 TYR N N 15 120.227 0.15 . 1 . . . . . . . . 5299 1 581 . 1 1 56 56 TYR H H 1 7.773 0.03 . 1 . . . . . . . . 5299 1 582 . 1 1 56 56 TYR CA C 13 61.335 0.12 . 1 . . . . . . . . 5299 1 583 . 1 1 56 56 TYR HA H 1 4.280 0.03 . 1 . . . . . . . . 5299 1 584 . 1 1 56 56 TYR CB C 13 38.311 0.12 . 1 . . . . . . . . 5299 1 585 . 1 1 56 56 TYR HB2 H 1 3.230 0.03 . 2 . . . . . . . . 5299 1 586 . 1 1 56 56 TYR HB3 H 1 3.120 0.03 . 2 . . . . . . . . 5299 1 587 . 1 1 56 56 TYR HD1 H 1 6.910 0.03 . 1 . . . . . . . . 5299 1 588 . 1 1 56 56 TYR HE1 H 1 6.170 0.03 . 1 . . . . . . . . 5299 1 589 . 1 1 56 56 TYR HE2 H 1 6.170 0.03 . 1 . . . . . . . . 5299 1 590 . 1 1 56 56 TYR HD2 H 1 6.910 0.03 . 1 . . . . . . . . 5299 1 591 . 1 1 56 56 TYR C C 13 177.360 0.12 . 1 . . . . . . . . 5299 1 592 . 1 1 57 57 LEU N N 15 119.138 0.15 . 1 . . . . . . . . 5299 1 593 . 1 1 57 57 LEU H H 1 9.089 0.03 . 1 . . . . . . . . 5299 1 594 . 1 1 57 57 LEU CA C 13 57.573 0.12 . 1 . . . . . . . . 5299 1 595 . 1 1 57 57 LEU HA H 1 3.770 0.03 . 1 . . . . . . . . 5299 1 596 . 1 1 57 57 LEU CB C 13 40.483 0.12 . 1 . . . . . . . . 5299 1 597 . 1 1 57 57 LEU HB2 H 1 1.960 0.03 . 2 . . . . . . . . 5299 1 598 . 1 1 57 57 LEU HG H 1 1.280 0.03 . 1 . . . . . . . . 5299 1 599 . 1 1 57 57 LEU CD1 C 13 25.610 0.12 . 1 . . . . . . . . 5299 1 600 . 1 1 57 57 LEU HD11 H 1 0.830 0.03 . 1 . . . . . . . . 5299 1 601 . 1 1 57 57 LEU HD12 H 1 0.830 0.03 . 1 . . . . . . . . 5299 1 602 . 1 1 57 57 LEU HD13 H 1 0.830 0.03 . 1 . . . . . . . . 5299 1 603 . 1 1 57 57 LEU C C 13 179.830 0.12 . 1 . . . . . . . . 5299 1 604 . 1 1 58 58 ASN N N 15 117.916 0.15 . 1 . . . . . . . . 5299 1 605 . 1 1 58 58 ASN H H 1 8.580 0.03 . 1 . . . . . . . . 5299 1 606 . 1 1 58 58 ASN CA C 13 56.405 0.12 . 1 . . . . . . . . 5299 1 607 . 1 1 58 58 ASN HA H 1 4.370 0.03 . 1 . . . . . . . . 5299 1 608 . 1 1 58 58 ASN CB C 13 37.839 0.12 . 1 . . . . . . . . 5299 1 609 . 1 1 58 58 ASN HB2 H 1 2.770 0.03 . 2 . . . . . . . . 5299 1 610 . 1 1 58 58 ASN HB3 H 1 2.880 0.03 . 2 . . . . . . . . 5299 1 611 . 1 1 58 58 ASN ND2 N 15 111.950 0.15 . 1 . . . . . . . . 5299 1 612 . 1 1 58 58 ASN HD22 H 1 6.770 0.03 . 2 . . . . . . . . 5299 1 613 . 1 1 58 58 ASN HD21 H 1 7.500 0.03 . 2 . . . . . . . . 5299 1 614 . 1 1 58 58 ASN C C 13 178.450 0.12 . 1 . . . . . . . . 5299 1 615 . 1 1 59 59 ASN N N 15 119.098 0.15 . 1 . . . . . . . . 5299 1 616 . 1 1 59 59 ASN H H 1 7.932 0.03 . 1 . . . . . . . . 5299 1 617 . 1 1 59 59 ASN CA C 13 56.209 0.12 . 1 . . . . . . . . 5299 1 618 . 1 1 59 59 ASN HA H 1 4.390 0.03 . 1 . . . . . . . . 5299 1 619 . 1 1 59 59 ASN CB C 13 38.279 0.12 . 1 . . . . . . . . 5299 1 620 . 1 1 59 59 ASN HB2 H 1 2.830 0.03 . 2 . . . . . . . . 5299 1 621 . 1 1 59 59 ASN HB3 H 1 3.230 0.03 . 2 . . . . . . . . 5299 1 622 . 1 1 59 59 ASN ND2 N 15 111.250 0.15 . 1 . . . . . . . . 5299 1 623 . 1 1 59 59 ASN HD22 H 1 7.280 0.03 . 2 . . . . . . . . 5299 1 624 . 1 1 59 59 ASN HD21 H 1 6.890 0.03 . 2 . . . . . . . . 5299 1 625 . 1 1 59 59 ASN C C 13 179.330 0.12 . 1 . . . . . . . . 5299 1 626 . 1 1 60 60 VAL N N 15 121.701 0.15 . 1 . . . . . . . . 5299 1 627 . 1 1 60 60 VAL H H 1 8.297 0.03 . 1 . . . . . . . . 5299 1 628 . 1 1 60 60 VAL CA C 13 67.416 0.12 . 1 . . . . . . . . 5299 1 629 . 1 1 60 60 VAL HA H 1 3.470 0.03 . 1 . . . . . . . . 5299 1 630 . 1 1 60 60 VAL CB C 13 31.390 0.12 . 1 . . . . . . . . 5299 1 631 . 1 1 60 60 VAL HB H 1 2.060 0.03 . 1 . . . . . . . . 5299 1 632 . 1 1 60 60 VAL CG2 C 13 23.710 0.12 . 1 . . . . . . . . 5299 1 633 . 1 1 60 60 VAL HG21 H 1 0.550 0.03 . 1 . . . . . . . . 5299 1 634 . 1 1 60 60 VAL HG22 H 1 0.550 0.03 . 1 . . . . . . . . 5299 1 635 . 1 1 60 60 VAL HG23 H 1 0.550 0.03 . 1 . . . . . . . . 5299 1 636 . 1 1 60 60 VAL CG1 C 13 21.420 0.12 . 1 . . . . . . . . 5299 1 637 . 1 1 60 60 VAL HG11 H 1 0.860 0.03 . 1 . . . . . . . . 5299 1 638 . 1 1 60 60 VAL HG12 H 1 0.860 0.03 . 1 . . . . . . . . 5299 1 639 . 1 1 60 60 VAL HG13 H 1 0.860 0.03 . 1 . . . . . . . . 5299 1 640 . 1 1 60 60 VAL C C 13 178.110 0.12 . 1 . . . . . . . . 5299 1 641 . 1 1 61 61 VAL N N 15 119.742 0.15 . 1 . . . . . . . . 5299 1 642 . 1 1 61 61 VAL H H 1 8.761 0.03 . 1 . . . . . . . . 5299 1 643 . 1 1 61 61 VAL CA C 13 67.484 0.12 . 1 . . . . . . . . 5299 1 644 . 1 1 61 61 VAL HA H 1 3.460 0.03 . 1 . . . . . . . . 5299 1 645 . 1 1 61 61 VAL CB C 13 30.944 0.12 . 1 . . . . . . . . 5299 1 646 . 1 1 61 61 VAL HB H 1 2.060 0.03 . 1 . . . . . . . . 5299 1 647 . 1 1 61 61 VAL CG2 C 13 23.590 0.12 . 1 . . . . . . . . 5299 1 648 . 1 1 61 61 VAL HG21 H 1 1.060 0.03 . 1 . . . . . . . . 5299 1 649 . 1 1 61 61 VAL HG22 H 1 1.060 0.03 . 1 . . . . . . . . 5299 1 650 . 1 1 61 61 VAL HG23 H 1 1.060 0.03 . 1 . . . . . . . . 5299 1 651 . 1 1 61 61 VAL CG1 C 13 21.540 0.12 . 1 . . . . . . . . 5299 1 652 . 1 1 61 61 VAL HG11 H 1 0.920 0.03 . 1 . . . . . . . . 5299 1 653 . 1 1 61 61 VAL HG12 H 1 0.920 0.03 . 1 . . . . . . . . 5299 1 654 . 1 1 61 61 VAL HG13 H 1 0.920 0.03 . 1 . . . . . . . . 5299 1 655 . 1 1 61 61 VAL C C 13 178.530 0.12 . 1 . . . . . . . . 5299 1 656 . 1 1 62 62 GLU N N 15 118.364 0.15 . 1 . . . . . . . . 5299 1 657 . 1 1 62 62 GLU H H 1 8.076 0.03 . 1 . . . . . . . . 5299 1 658 . 1 1 62 62 GLU CA C 13 59.512 0.12 . 1 . . . . . . . . 5299 1 659 . 1 1 62 62 GLU HA H 1 3.850 0.03 . 1 . . . . . . . . 5299 1 660 . 1 1 62 62 GLU CB C 13 28.898 0.12 . 1 . . . . . . . . 5299 1 661 . 1 1 62 62 GLU HB2 H 1 2.060 0.03 . 2 . . . . . . . . 5299 1 662 . 1 1 62 62 GLU CG C 13 36.220 0.12 . 1 . . . . . . . . 5299 1 663 . 1 1 62 62 GLU HG2 H 1 2.270 0.03 . 2 . . . . . . . . 5299 1 664 . 1 1 62 62 GLU C C 13 179.890 0.12 . 1 . . . . . . . . 5299 1 665 . 1 1 63 63 GLN N N 15 119.025 0.15 . 1 . . . . . . . . 5299 1 666 . 1 1 63 63 GLN H H 1 7.537 0.03 . 1 . . . . . . . . 5299 1 667 . 1 1 63 63 GLN CA C 13 57.191 0.12 . 1 . . . . . . . . 5299 1 668 . 1 1 63 63 GLN HA H 1 3.640 0.03 . 1 . . . . . . . . 5299 1 669 . 1 1 63 63 GLN CB C 13 28.138 0.12 . 1 . . . . . . . . 5299 1 670 . 1 1 63 63 GLN HB2 H 1 1.210 0.03 . 2 . . . . . . . . 5299 1 671 . 1 1 63 63 GLN HG2 H 1 0.130 0.03 . 2 . . . . . . . . 5299 1 672 . 1 1 63 63 GLN NE2 N 15 113.830 0.15 . 1 . . . . . . . . 5299 1 673 . 1 1 63 63 GLN HE22 H 1 6.690 0.03 . 2 . . . . . . . . 5299 1 674 . 1 1 63 63 GLN HE21 H 1 4.850 0.03 . 2 . . . . . . . . 5299 1 675 . 1 1 63 63 GLN C C 13 179.020 0.12 . 1 . . . . . . . . 5299 1 676 . 1 1 64 64 LEU N N 15 119.094 0.15 . 1 . . . . . . . . 5299 1 677 . 1 1 64 64 LEU H H 1 8.904 0.03 . 1 . . . . . . . . 5299 1 678 . 1 1 64 64 LEU CA C 13 57.899 0.12 . 1 . . . . . . . . 5299 1 679 . 1 1 64 64 LEU HA H 1 4.040 0.03 . 1 . . . . . . . . 5299 1 680 . 1 1 64 64 LEU CB C 13 41.111 0.12 . 1 . . . . . . . . 5299 1 681 . 1 1 64 64 LEU HB2 H 1 1.920 0.03 . 2 . . . . . . . . 5299 1 682 . 1 1 64 64 LEU CD1 C 13 26.180 0.12 . 1 . . . . . . . . 5299 1 683 . 1 1 64 64 LEU HD11 H 1 0.850 0.03 . 1 . . . . . . . . 5299 1 684 . 1 1 64 64 LEU HD12 H 1 0.850 0.03 . 1 . . . . . . . . 5299 1 685 . 1 1 64 64 LEU HD13 H 1 0.850 0.03 . 1 . . . . . . . . 5299 1 686 . 1 1 64 64 LEU CD2 C 13 23.220 0.12 . 1 . . . . . . . . 5299 1 687 . 1 1 64 64 LEU HD21 H 1 0.930 0.03 . 1 . . . . . . . . 5299 1 688 . 1 1 64 64 LEU HD22 H 1 0.930 0.03 . 1 . . . . . . . . 5299 1 689 . 1 1 64 64 LEU HD23 H 1 0.930 0.03 . 1 . . . . . . . . 5299 1 690 . 1 1 64 64 LEU C C 13 179.290 0.12 . 1 . . . . . . . . 5299 1 691 . 1 1 65 65 LYS N N 15 118.452 0.15 . 1 . . . . . . . . 5299 1 692 . 1 1 65 65 LYS H H 1 8.436 0.03 . 1 . . . . . . . . 5299 1 693 . 1 1 65 65 LYS CA C 13 61.299 0.12 . 1 . . . . . . . . 5299 1 694 . 1 1 65 65 LYS HA H 1 3.730 0.03 . 1 . . . . . . . . 5299 1 695 . 1 1 65 65 LYS CB C 13 31.770 0.12 . 1 . . . . . . . . 5299 1 696 . 1 1 65 65 LYS HB2 H 1 1.780 0.03 . 2 . . . . . . . . 5299 1 697 . 1 1 65 65 LYS CG C 13 29.390 0.12 . 1 . . . . . . . . 5299 1 698 . 1 1 65 65 LYS HE2 H 1 3.180 0.03 . 2 . . . . . . . . 5299 1 699 . 1 1 65 65 LYS C C 13 178.900 0.12 . 1 . . . . . . . . 5299 1 700 . 1 1 66 66 ASP N N 15 117.955 0.15 . 1 . . . . . . . . 5299 1 701 . 1 1 66 66 ASP H H 1 6.864 0.03 . 1 . . . . . . . . 5299 1 702 . 1 1 66 66 ASP CA C 13 57.612 0.12 . 1 . . . . . . . . 5299 1 703 . 1 1 66 66 ASP HA H 1 4.490 0.03 . 1 . . . . . . . . 5299 1 704 . 1 1 66 66 ASP CB C 13 41.511 0.12 . 1 . . . . . . . . 5299 1 705 . 1 1 66 66 ASP HB2 H 1 2.540 0.03 . 2 . . . . . . . . 5299 1 706 . 1 1 66 66 ASP C C 13 179.080 0.12 . 1 . . . . . . . . 5299 1 707 . 1 1 67 67 TRP N N 15 118.177 0.15 . 1 . . . . . . . . 5299 1 708 . 1 1 67 67 TRP H H 1 8.171 0.03 . 1 . . . . . . . . 5299 1 709 . 1 1 67 67 TRP CA C 13 58.235 0.12 . 1 . . . . . . . . 5299 1 710 . 1 1 67 67 TRP HA H 1 4.340 0.03 . 1 . . . . . . . . 5299 1 711 . 1 1 67 67 TRP CB C 13 29.093 0.12 . 1 . . . . . . . . 5299 1 712 . 1 1 67 67 TRP HB2 H 1 3.180 0.03 . 2 . . . . . . . . 5299 1 713 . 1 1 67 67 TRP HB3 H 1 2.860 0.03 . 2 . . . . . . . . 5299 1 714 . 1 1 67 67 TRP CD1 C 13 123.000 0.12 . 1 . . . . . . . . 5299 1 715 . 1 1 67 67 TRP HD1 H 1 6.910 0.03 . 1 . . . . . . . . 5299 1 716 . 1 1 67 67 TRP NE1 N 15 129.760 0.15 . 1 . . . . . . . . 5299 1 717 . 1 1 67 67 TRP HE1 H 1 10.190 0.03 . 1 . . . . . . . . 5299 1 718 . 1 1 67 67 TRP CZ2 C 13 113.980 0.12 . 1 . . . . . . . . 5299 1 719 . 1 1 67 67 TRP HZ2 H 1 6.510 0.03 . 1 . . . . . . . . 5299 1 720 . 1 1 67 67 TRP CH2 C 13 124.470 0.12 . 1 . . . . . . . . 5299 1 721 . 1 1 67 67 TRP HH2 H 1 5.010 0.03 . 1 . . . . . . . . 5299 1 722 . 1 1 67 67 TRP CZ3 C 13 122.420 0.12 . 1 . . . . . . . . 5299 1 723 . 1 1 67 67 TRP HZ3 H 1 6.100 0.03 . 1 . . . . . . . . 5299 1 724 . 1 1 67 67 TRP HE3 H 1 6.920 0.03 . 1 . . . . . . . . 5299 1 725 . 1 1 67 67 TRP C C 13 180.160 0.12 . 1 . . . . . . . . 5299 1 726 . 1 1 68 68 LEU N N 15 120.865 0.15 . 1 . . . . . . . . 5299 1 727 . 1 1 68 68 LEU H H 1 9.613 0.03 . 1 . . . . . . . . 5299 1 728 . 1 1 68 68 LEU CA C 13 57.995 0.12 . 1 . . . . . . . . 5299 1 729 . 1 1 68 68 LEU HA H 1 4.340 0.03 . 1 . . . . . . . . 5299 1 730 . 1 1 68 68 LEU CB C 13 41.780 0.12 . 1 . . . . . . . . 5299 1 731 . 1 1 68 68 LEU HB2 H 1 1.790 0.03 . 2 . . . . . . . . 5299 1 732 . 1 1 68 68 LEU CD1 C 13 27.450 0.12 . 1 . . . . . . . . 5299 1 733 . 1 1 68 68 LEU HD11 H 1 0.930 0.03 . 1 . . . . . . . . 5299 1 734 . 1 1 68 68 LEU HD12 H 1 0.930 0.03 . 1 . . . . . . . . 5299 1 735 . 1 1 68 68 LEU HD13 H 1 0.930 0.03 . 1 . . . . . . . . 5299 1 736 . 1 1 68 68 LEU CD2 C 13 24.840 0.12 . 1 . . . . . . . . 5299 1 737 . 1 1 68 68 LEU HD21 H 1 0.730 0.03 . 1 . . . . . . . . 5299 1 738 . 1 1 68 68 LEU HD22 H 1 0.730 0.03 . 1 . . . . . . . . 5299 1 739 . 1 1 68 68 LEU HD23 H 1 0.730 0.03 . 1 . . . . . . . . 5299 1 740 . 1 1 68 68 LEU C C 13 181.240 0.12 . 1 . . . . . . . . 5299 1 741 . 1 1 69 69 TYR N N 15 123.546 0.15 . 1 . . . . . . . . 5299 1 742 . 1 1 69 69 TYR H H 1 8.122 0.03 . 1 . . . . . . . . 5299 1 743 . 1 1 69 69 TYR CA C 13 61.287 0.12 . 1 . . . . . . . . 5299 1 744 . 1 1 69 69 TYR HA H 1 4.180 0.03 . 1 . . . . . . . . 5299 1 745 . 1 1 69 69 TYR CB C 13 38.225 0.12 . 1 . . . . . . . . 5299 1 746 . 1 1 69 69 TYR HB2 H 1 3.190 0.03 . 2 . . . . . . . . 5299 1 747 . 1 1 69 69 TYR HB3 H 1 3.450 0.03 . 2 . . . . . . . . 5299 1 748 . 1 1 69 69 TYR HD1 H 1 6.960 0.03 . 1 . . . . . . . . 5299 1 749 . 1 1 69 69 TYR HE1 H 1 6.880 0.03 . 1 . . . . . . . . 5299 1 750 . 1 1 69 69 TYR HE2 H 1 6.880 0.03 . 1 . . . . . . . . 5299 1 751 . 1 1 69 69 TYR HD2 H 1 6.960 0.03 . 1 . . . . . . . . 5299 1 752 . 1 1 69 69 TYR C C 13 176.680 0.12 . 1 . . . . . . . . 5299 1 753 . 1 1 70 70 LYS N N 15 114.536 0.15 . 1 . . . . . . . . 5299 1 754 . 1 1 70 70 LYS H H 1 7.749 0.03 . 1 . . . . . . . . 5299 1 755 . 1 1 70 70 LYS CA C 13 56.659 0.12 . 1 . . . . . . . . 5299 1 756 . 1 1 70 70 LYS HA H 1 4.050 0.03 . 1 . . . . . . . . 5299 1 757 . 1 1 70 70 LYS CB C 13 32.395 0.12 . 1 . . . . . . . . 5299 1 758 . 1 1 70 70 LYS HB2 H 1 1.790 0.03 . 2 . . . . . . . . 5299 1 759 . 1 1 70 70 LYS HG2 H 1 1.680 0.03 . 2 . . . . . . . . 5299 1 760 . 1 1 70 70 LYS C C 13 176.480 0.12 . 1 . . . . . . . . 5299 1 761 . 1 1 71 71 CYS N N 15 114.979 0.15 . 1 . . . . . . . . 5299 1 762 . 1 1 71 71 CYS H H 1 8.097 0.03 . 1 . . . . . . . . 5299 1 763 . 1 1 71 71 CYS CA C 13 60.833 0.12 . 1 . . . . . . . . 5299 1 764 . 1 1 71 71 CYS HA H 1 4.360 0.03 . 1 . . . . . . . . 5299 1 765 . 1 1 71 71 CYS CB C 13 25.660 0.12 . 1 . . . . . . . . 5299 1 766 . 1 1 71 71 CYS HB2 H 1 1.790 0.03 . 2 . . . . . . . . 5299 1 767 . 1 1 71 71 CYS HB3 H 1 2.870 0.03 . 2 . . . . . . . . 5299 1 768 . 1 1 71 71 CYS C C 13 176.420 0.12 . 1 . . . . . . . . 5299 1 769 . 1 1 72 72 SER N N 15 110.508 0.15 . 1 . . . . . . . . 5299 1 770 . 1 1 72 72 SER H H 1 8.642 0.03 . 1 . . . . . . . . 5299 1 771 . 1 1 72 72 SER CA C 13 58.792 0.12 . 1 . . . . . . . . 5299 1 772 . 1 1 72 72 SER HA H 1 4.360 0.03 . 1 . . . . . . . . 5299 1 773 . 1 1 72 72 SER CB C 13 65.504 0.12 . 1 . . . . . . . . 5299 1 774 . 1 1 72 72 SER HB2 H 1 3.670 0.03 . 2 . . . . . . . . 5299 1 775 . 1 1 72 72 SER HB3 H 1 3.500 0.03 . 2 . . . . . . . . 5299 1 776 . 1 1 72 72 SER C C 13 173.360 0.12 . 1 . . . . . . . . 5299 1 777 . 1 1 73 73 VAL N N 15 115.531 0.15 . 1 . . . . . . . . 5299 1 778 . 1 1 73 73 VAL H H 1 7.094 0.03 . 1 . . . . . . . . 5299 1 779 . 1 1 73 73 VAL CA C 13 60.142 0.12 . 1 . . . . . . . . 5299 1 780 . 1 1 73 73 VAL HA H 1 4.270 0.03 . 1 . . . . . . . . 5299 1 781 . 1 1 73 73 VAL CB C 13 33.640 0.12 . 1 . . . . . . . . 5299 1 782 . 1 1 73 73 VAL HB H 1 1.710 0.03 . 1 . . . . . . . . 5299 1 783 . 1 1 73 73 VAL CG2 C 13 22.140 0.12 . 1 . . . . . . . . 5299 1 784 . 1 1 73 73 VAL HG21 H 1 0.830 0.03 . 1 . . . . . . . . 5299 1 785 . 1 1 73 73 VAL HG22 H 1 0.830 0.03 . 1 . . . . . . . . 5299 1 786 . 1 1 73 73 VAL HG23 H 1 0.830 0.03 . 1 . . . . . . . . 5299 1 787 . 1 1 73 73 VAL HG11 H 1 0.750 0.03 . 1 . . . . . . . . 5299 1 788 . 1 1 73 73 VAL HG12 H 1 0.750 0.03 . 1 . . . . . . . . 5299 1 789 . 1 1 73 73 VAL HG13 H 1 0.750 0.03 . 1 . . . . . . . . 5299 1 790 . 1 1 73 73 VAL C C 13 173.420 0.12 . 1 . . . . . . . . 5299 1 791 . 1 1 74 74 GLN N N 15 123.582 0.15 . 1 . . . . . . . . 5299 1 792 . 1 1 74 74 GLN H H 1 8.323 0.03 . 1 . . . . . . . . 5299 1 793 . 1 1 74 74 GLN CA C 13 57.144 0.12 . 1 . . . . . . . . 5299 1 794 . 1 1 74 74 GLN HA H 1 5.410 0.03 . 1 . . . . . . . . 5299 1 795 . 1 1 74 74 GLN CB C 13 31.638 0.12 . 1 . . . . . . . . 5299 1 796 . 1 1 74 74 GLN HB2 H 1 1.950 0.03 . 2 . . . . . . . . 5299 1 797 . 1 1 74 74 GLN CG C 13 35.460 0.12 . 1 . . . . . . . . 5299 1 798 . 1 1 74 74 GLN HG2 H 1 2.380 0.03 . 2 . . . . . . . . 5299 1 799 . 1 1 74 74 GLN HG3 H 1 2.520 0.03 . 2 . . . . . . . . 5299 1 800 . 1 1 74 74 GLN NE2 N 15 111.250 0.15 . 1 . . . . . . . . 5299 1 801 . 1 1 74 74 GLN HE22 H 1 6.630 0.03 . 2 . . . . . . . . 5299 1 802 . 1 1 74 74 GLN HE21 H 1 7.570 0.03 . 2 . . . . . . . . 5299 1 803 . 1 1 74 74 GLN C C 13 177.580 0.12 . 1 . . . . . . . . 5299 1 804 . 1 1 75 75 LYS N N 15 115.880 0.15 . 1 . . . . . . . . 5299 1 805 . 1 1 75 75 LYS H H 1 7.813 0.03 . 1 . . . . . . . . 5299 1 806 . 1 1 75 75 LYS CA C 13 55.396 0.12 . 1 . . . . . . . . 5299 1 807 . 1 1 75 75 LYS HA H 1 5.740 0.03 . 1 . . . . . . . . 5299 1 808 . 1 1 75 75 LYS CB C 13 38.419 0.12 . 1 . . . . . . . . 5299 1 809 . 1 1 75 75 LYS HB2 H 1 1.940 0.03 . 2 . . . . . . . . 5299 1 810 . 1 1 75 75 LYS HB3 H 1 1.780 0.03 . 2 . . . . . . . . 5299 1 811 . 1 1 75 75 LYS HG2 H 1 1.630 0.03 . 2 . . . . . . . . 5299 1 812 . 1 1 75 75 LYS HE2 H 1 2.900 0.03 . 2 . . . . . . . . 5299 1 813 . 1 1 75 75 LYS C C 13 174.770 0.12 . 1 . . . . . . . . 5299 1 814 . 1 1 76 76 LEU N N 15 123.604 0.15 . 1 . . . . . . . . 5299 1 815 . 1 1 76 76 LEU H H 1 9.192 0.03 . 1 . . . . . . . . 5299 1 816 . 1 1 76 76 LEU CA C 13 55.108 0.12 . 1 . . . . . . . . 5299 1 817 . 1 1 76 76 LEU HA H 1 5.490 0.03 . 1 . . . . . . . . 5299 1 818 . 1 1 76 76 LEU CB C 13 44.967 0.12 . 1 . . . . . . . . 5299 1 819 . 1 1 76 76 LEU HB2 H 1 1.760 0.03 . 2 . . . . . . . . 5299 1 820 . 1 1 76 76 LEU HG H 1 1.560 0.03 . 1 . . . . . . . . 5299 1 821 . 1 1 76 76 LEU CD1 C 13 26.160 0.12 . 1 . . . . . . . . 5299 1 822 . 1 1 76 76 LEU HD11 H 1 0.580 0.03 . 1 . . . . . . . . 5299 1 823 . 1 1 76 76 LEU HD12 H 1 0.580 0.03 . 1 . . . . . . . . 5299 1 824 . 1 1 76 76 LEU HD13 H 1 0.580 0.03 . 1 . . . . . . . . 5299 1 825 . 1 1 76 76 LEU CD2 C 13 25.060 0.12 . 1 . . . . . . . . 5299 1 826 . 1 1 76 76 LEU HD21 H 1 0.560 0.03 . 1 . . . . . . . . 5299 1 827 . 1 1 76 76 LEU HD22 H 1 0.560 0.03 . 1 . . . . . . . . 5299 1 828 . 1 1 76 76 LEU HD23 H 1 0.560 0.03 . 1 . . . . . . . . 5299 1 829 . 1 1 76 76 LEU C C 13 175.690 0.12 . 1 . . . . . . . . 5299 1 830 . 1 1 77 77 VAL N N 15 128.200 0.15 . 1 . . . . . . . . 5299 1 831 . 1 1 77 77 VAL H H 1 10.230 0.03 . 1 . . . . . . . . 5299 1 832 . 1 1 77 77 VAL CA C 13 59.340 0.12 . 1 . . . . . . . . 5299 1 833 . 1 1 77 77 VAL HA H 1 5.820 0.03 . 1 . . . . . . . . 5299 1 834 . 1 1 77 77 VAL HB H 1 2.170 0.03 . 1 . . . . . . . . 5299 1 835 . 1 1 77 77 VAL CG2 C 13 22.660 0.12 . 1 . . . . . . . . 5299 1 836 . 1 1 77 77 VAL HG21 H 1 1.290 0.03 . 1 . . . . . . . . 5299 1 837 . 1 1 77 77 VAL HG22 H 1 1.290 0.03 . 1 . . . . . . . . 5299 1 838 . 1 1 77 77 VAL HG23 H 1 1.290 0.03 . 1 . . . . . . . . 5299 1 839 . 1 1 77 77 VAL CG1 C 13 22.850 0.12 . 1 . . . . . . . . 5299 1 840 . 1 1 77 77 VAL HG11 H 1 0.950 0.03 . 1 . . . . . . . . 5299 1 841 . 1 1 77 77 VAL HG12 H 1 0.950 0.03 . 1 . . . . . . . . 5299 1 842 . 1 1 77 77 VAL HG13 H 1 0.950 0.03 . 1 . . . . . . . . 5299 1 843 . 1 1 78 78 VAL N N 15 125.880 0.15 . 1 . . . . . . . . 5299 1 844 . 1 1 78 78 VAL H H 1 9.460 0.03 . 1 . . . . . . . . 5299 1 845 . 1 1 78 78 VAL HA H 1 5.210 0.03 . 1 . . . . . . . . 5299 1 846 . 1 1 78 78 VAL HB H 1 1.840 0.03 . 1 . . . . . . . . 5299 1 847 . 1 1 78 78 VAL HG21 H 1 1.080 0.03 . 1 . . . . . . . . 5299 1 848 . 1 1 78 78 VAL HG22 H 1 1.080 0.03 . 1 . . . . . . . . 5299 1 849 . 1 1 78 78 VAL HG23 H 1 1.080 0.03 . 1 . . . . . . . . 5299 1 850 . 1 1 78 78 VAL HG11 H 1 1.000 0.03 . 1 . . . . . . . . 5299 1 851 . 1 1 78 78 VAL HG12 H 1 1.000 0.03 . 1 . . . . . . . . 5299 1 852 . 1 1 78 78 VAL HG13 H 1 1.000 0.03 . 1 . . . . . . . . 5299 1 853 . 1 1 79 79 VAL N N 15 128.340 0.15 . 1 . . . . . . . . 5299 1 854 . 1 1 79 79 VAL H H 1 9.200 0.03 . 1 . . . . . . . . 5299 1 855 . 1 1 79 79 VAL HA H 1 5.410 0.03 . 1 . . . . . . . . 5299 1 856 . 1 1 79 79 VAL HB H 1 2.020 0.03 . 1 . . . . . . . . 5299 1 857 . 1 1 79 79 VAL HG21 H 1 1.050 0.03 . 1 . . . . . . . . 5299 1 858 . 1 1 79 79 VAL HG22 H 1 1.050 0.03 . 1 . . . . . . . . 5299 1 859 . 1 1 79 79 VAL HG23 H 1 1.050 0.03 . 1 . . . . . . . . 5299 1 860 . 1 1 79 79 VAL HG11 H 1 0.920 0.03 . 1 . . . . . . . . 5299 1 861 . 1 1 79 79 VAL HG12 H 1 0.920 0.03 . 1 . . . . . . . . 5299 1 862 . 1 1 79 79 VAL HG13 H 1 0.920 0.03 . 1 . . . . . . . . 5299 1 863 . 1 1 80 80 ILE N N 15 133.820 0.15 . 1 . . . . . . . . 5299 1 864 . 1 1 80 80 ILE H H 1 9.950 0.03 . 1 . . . . . . . . 5299 1 865 . 1 1 80 80 ILE CA C 13 60.531 0.12 . 1 . . . . . . . . 5299 1 866 . 1 1 80 80 ILE HA H 1 5.140 0.03 . 1 . . . . . . . . 5299 1 867 . 1 1 80 80 ILE CB C 13 38.501 0.12 . 1 . . . . . . . . 5299 1 868 . 1 1 80 80 ILE CD1 C 13 13.180 0.12 . 1 . . . . . . . . 5299 1 869 . 1 1 80 80 ILE HD11 H 1 0.970 0.03 . 1 . . . . . . . . 5299 1 870 . 1 1 80 80 ILE HD12 H 1 0.970 0.03 . 1 . . . . . . . . 5299 1 871 . 1 1 80 80 ILE HD13 H 1 0.970 0.03 . 1 . . . . . . . . 5299 1 872 . 1 1 80 80 ILE CG2 C 13 18.390 0.12 . 1 . . . . . . . . 5299 1 873 . 1 1 80 80 ILE HG21 H 1 1.060 0.03 . 1 . . . . . . . . 5299 1 874 . 1 1 80 80 ILE HG22 H 1 1.060 0.03 . 1 . . . . . . . . 5299 1 875 . 1 1 80 80 ILE HG23 H 1 1.060 0.03 . 1 . . . . . . . . 5299 1 876 . 1 1 80 80 ILE C C 13 175.950 0.12 . 1 . . . . . . . . 5299 1 877 . 1 1 81 81 SER N N 15 120.827 0.15 . 1 . . . . . . . . 5299 1 878 . 1 1 81 81 SER H H 1 8.555 0.03 . 1 . . . . . . . . 5299 1 879 . 1 1 81 81 SER CA C 13 56.230 0.12 . 1 . . . . . . . . 5299 1 880 . 1 1 81 81 SER HA H 1 5.480 0.03 . 1 . . . . . . . . 5299 1 881 . 1 1 81 81 SER CB C 13 66.182 0.12 . 1 . . . . . . . . 5299 1 882 . 1 1 81 81 SER HB2 H 1 3.290 0.03 . 2 . . . . . . . . 5299 1 883 . 1 1 81 81 SER C C 13 173.360 0.12 . 1 . . . . . . . . 5299 1 884 . 1 1 82 82 ASN N N 15 120.954 0.15 . 1 . . . . . . . . 5299 1 885 . 1 1 82 82 ASN H H 1 8.599 0.03 . 1 . . . . . . . . 5299 1 886 . 1 1 82 82 ASN CA C 13 53.560 0.12 . 1 . . . . . . . . 5299 1 887 . 1 1 82 82 ASN HA H 1 5.640 0.03 . 1 . . . . . . . . 5299 1 888 . 1 1 82 82 ASN CB C 13 39.238 0.12 . 1 . . . . . . . . 5299 1 889 . 1 1 82 82 ASN HB2 H 1 2.680 0.03 . 2 . . . . . . . . 5299 1 890 . 1 1 82 82 ASN HB3 H 1 3.230 0.03 . 2 . . . . . . . . 5299 1 891 . 1 1 82 82 ASN ND2 N 15 115.920 0.15 . 1 . . . . . . . . 5299 1 892 . 1 1 82 82 ASN HD22 H 1 7.570 0.03 . 2 . . . . . . . . 5299 1 893 . 1 1 82 82 ASN HD21 H 1 8.190 0.03 . 2 . . . . . . . . 5299 1 894 . 1 1 82 82 ASN C C 13 178.200 0.12 . 1 . . . . . . . . 5299 1 895 . 1 1 83 83 ILE N N 15 128.465 0.15 . 1 . . . . . . . . 5299 1 896 . 1 1 83 83 ILE H H 1 8.581 0.03 . 1 . . . . . . . . 5299 1 897 . 1 1 83 83 ILE CA C 13 64.916 0.12 . 1 . . . . . . . . 5299 1 898 . 1 1 83 83 ILE HA H 1 3.830 0.03 . 1 . . . . . . . . 5299 1 899 . 1 1 83 83 ILE CB C 13 38.501 0.12 . 1 . . . . . . . . 5299 1 900 . 1 1 83 83 ILE HB H 1 1.470 0.03 . 1 . . . . . . . . 5299 1 901 . 1 1 83 83 ILE CD1 C 13 14.550 0.12 . 1 . . . . . . . . 5299 1 902 . 1 1 83 83 ILE HD11 H 1 0.800 0.03 . 1 . . . . . . . . 5299 1 903 . 1 1 83 83 ILE HD12 H 1 0.800 0.03 . 1 . . . . . . . . 5299 1 904 . 1 1 83 83 ILE HD13 H 1 0.800 0.03 . 1 . . . . . . . . 5299 1 905 . 1 1 83 83 ILE CG2 C 13 17.520 0.12 . 1 . . . . . . . . 5299 1 906 . 1 1 83 83 ILE HG21 H 1 0.870 0.03 . 1 . . . . . . . . 5299 1 907 . 1 1 83 83 ILE HG22 H 1 0.870 0.03 . 1 . . . . . . . . 5299 1 908 . 1 1 83 83 ILE HG23 H 1 0.870 0.03 . 1 . . . . . . . . 5299 1 909 . 1 1 83 83 ILE C C 13 176.940 0.12 . 1 . . . . . . . . 5299 1 910 . 1 1 84 84 GLU N N 15 119.930 0.15 . 1 . . . . . . . . 5299 1 911 . 1 1 84 84 GLU H H 1 8.375 0.03 . 1 . . . . . . . . 5299 1 912 . 1 1 84 84 GLU CA C 13 58.311 0.12 . 1 . . . . . . . . 5299 1 913 . 1 1 84 84 GLU HA H 1 4.190 0.03 . 1 . . . . . . . . 5299 1 914 . 1 1 84 84 GLU CB C 13 29.834 0.12 . 1 . . . . . . . . 5299 1 915 . 1 1 84 84 GLU HB2 H 1 2.040 0.03 . 2 . . . . . . . . 5299 1 916 . 1 1 84 84 GLU CG C 13 36.430 0.12 . 1 . . . . . . . . 5299 1 917 . 1 1 84 84 GLU HG2 H 1 2.330 0.03 . 2 . . . . . . . . 5299 1 918 . 1 1 84 84 GLU HG3 H 1 2.170 0.03 . 2 . . . . . . . . 5299 1 919 . 1 1 84 84 GLU C C 13 178.340 0.12 . 1 . . . . . . . . 5299 1 920 . 1 1 85 85 SER N N 15 110.755 0.15 . 1 . . . . . . . . 5299 1 921 . 1 1 85 85 SER H H 1 7.544 0.03 . 1 . . . . . . . . 5299 1 922 . 1 1 85 85 SER CA C 13 57.807 0.12 . 1 . . . . . . . . 5299 1 923 . 1 1 85 85 SER HA H 1 4.200 0.03 . 1 . . . . . . . . 5299 1 924 . 1 1 85 85 SER CB C 13 65.875 0.12 . 1 . . . . . . . . 5299 1 925 . 1 1 85 85 SER HB2 H 1 4.030 0.03 . 2 . . . . . . . . 5299 1 926 . 1 1 85 85 SER HB3 H 1 3.740 0.03 . 2 . . . . . . . . 5299 1 927 . 1 1 85 85 SER C C 13 176.960 0.12 . 1 . . . . . . . . 5299 1 928 . 1 1 86 86 GLY N N 15 112.703 0.15 . 1 . . . . . . . . 5299 1 929 . 1 1 86 86 GLY H H 1 8.352 0.03 . 1 . . . . . . . . 5299 1 930 . 1 1 86 86 GLY CA C 13 45.509 0.12 . 1 . . . . . . . . 5299 1 931 . 1 1 86 86 GLY HA2 H 1 4.190 0.03 . 2 . . . . . . . . 5299 1 932 . 1 1 86 86 GLY HA3 H 1 3.730 0.03 . 2 . . . . . . . . 5299 1 933 . 1 1 86 86 GLY C C 13 174.480 0.12 . 1 . . . . . . . . 5299 1 934 . 1 1 87 87 GLU N N 15 121.473 0.15 . 1 . . . . . . . . 5299 1 935 . 1 1 87 87 GLU H H 1 7.836 0.03 . 1 . . . . . . . . 5299 1 936 . 1 1 87 87 GLU CA C 13 56.976 0.12 . 1 . . . . . . . . 5299 1 937 . 1 1 87 87 GLU HA H 1 4.010 0.03 . 1 . . . . . . . . 5299 1 938 . 1 1 87 87 GLU CB C 13 30.201 0.12 . 1 . . . . . . . . 5299 1 939 . 1 1 87 87 GLU HB2 H 1 2.040 0.03 . 2 . . . . . . . . 5299 1 940 . 1 1 87 87 GLU CG C 13 35.810 0.12 . 1 . . . . . . . . 5299 1 941 . 1 1 87 87 GLU HG2 H 1 2.230 0.03 . 2 . . . . . . . . 5299 1 942 . 1 1 87 87 GLU C C 13 176.350 0.12 . 1 . . . . . . . . 5299 1 943 . 1 1 88 88 VAL N N 15 127.420 0.15 . 1 . . . . . . . . 5299 1 944 . 1 1 88 88 VAL H H 1 8.543 0.03 . 1 . . . . . . . . 5299 1 945 . 1 1 88 88 VAL CA C 13 64.296 0.12 . 1 . . . . . . . . 5299 1 946 . 1 1 88 88 VAL HA H 1 3.810 0.03 . 1 . . . . . . . . 5299 1 947 . 1 1 88 88 VAL CB C 13 31.213 0.12 . 1 . . . . . . . . 5299 1 948 . 1 1 88 88 VAL HB H 1 1.830 0.03 . 1 . . . . . . . . 5299 1 949 . 1 1 88 88 VAL CG2 C 13 22.010 0.12 . 1 . . . . . . . . 5299 1 950 . 1 1 88 88 VAL HG21 H 1 0.840 0.03 . 1 . . . . . . . . 5299 1 951 . 1 1 88 88 VAL HG22 H 1 0.840 0.03 . 1 . . . . . . . . 5299 1 952 . 1 1 88 88 VAL HG23 H 1 0.840 0.03 . 1 . . . . . . . . 5299 1 953 . 1 1 88 88 VAL C C 13 176.210 0.12 . 1 . . . . . . . . 5299 1 954 . 1 1 89 89 LEU N N 15 126.531 0.15 . 1 . . . . . . . . 5299 1 955 . 1 1 89 89 LEU H H 1 8.929 0.03 . 1 . . . . . . . . 5299 1 956 . 1 1 89 89 LEU CA C 13 55.401 0.12 . 1 . . . . . . . . 5299 1 957 . 1 1 89 89 LEU HA H 1 5.090 0.03 . 1 . . . . . . . . 5299 1 958 . 1 1 89 89 LEU CB C 13 44.105 0.12 . 1 . . . . . . . . 5299 1 959 . 1 1 89 89 LEU HB2 H 1 1.550 0.03 . 2 . . . . . . . . 5299 1 960 . 1 1 89 89 LEU C C 13 177.950 0.12 . 1 . . . . . . . . 5299 1 961 . 1 1 90 90 GLU N N 15 119.913 0.15 . 1 . . . . . . . . 5299 1 962 . 1 1 90 90 GLU H H 1 8.109 0.03 . 1 . . . . . . . . 5299 1 963 . 1 1 90 90 GLU CA C 13 56.663 0.12 . 1 . . . . . . . . 5299 1 964 . 1 1 90 90 GLU HA H 1 5.010 0.03 . 1 . . . . . . . . 5299 1 965 . 1 1 90 90 GLU CB C 13 34.690 0.12 . 1 . . . . . . . . 5299 1 966 . 1 1 90 90 GLU HB2 H 1 2.240 0.03 . 2 . . . . . . . . 5299 1 967 . 1 1 90 90 GLU C C 13 174.430 0.12 . 1 . . . . . . . . 5299 1 968 . 1 1 91 91 ARG N N 15 126.320 0.15 . 1 . . . . . . . . 5299 1 969 . 1 1 91 91 ARG H H 1 9.188 0.03 . 1 . . . . . . . . 5299 1 970 . 1 1 91 91 ARG CA C 13 55.763 0.12 . 1 . . . . . . . . 5299 1 971 . 1 1 91 91 ARG HA H 1 4.660 0.03 . 1 . . . . . . . . 5299 1 972 . 1 1 91 91 ARG CB C 13 34.304 0.12 . 1 . . . . . . . . 5299 1 973 . 1 1 91 91 ARG HB2 H 1 1.790 0.03 . 2 . . . . . . . . 5299 1 974 . 1 1 92 92 TRP N N 15 128.790 0.15 . 1 . . . . . . . . 5299 1 975 . 1 1 92 92 TRP H H 1 9.230 0.03 . 1 . . . . . . . . 5299 1 976 . 1 1 92 92 TRP CA C 13 57.060 0.12 . 1 . . . . . . . . 5299 1 977 . 1 1 92 92 TRP HA H 1 4.880 0.03 . 1 . . . . . . . . 5299 1 978 . 1 1 92 92 TRP CB C 13 29.170 0.12 . 1 . . . . . . . . 5299 1 979 . 1 1 92 92 TRP CD1 C 13 125.350 0.12 . 1 . . . . . . . . 5299 1 980 . 1 1 92 92 TRP HD1 H 1 7.160 0.03 . 1 . . . . . . . . 5299 1 981 . 1 1 92 92 TRP NE1 N 15 133.820 0.15 . 1 . . . . . . . . 5299 1 982 . 1 1 92 92 TRP HE1 H 1 11.900 0.03 . 1 . . . . . . . . 5299 1 983 . 1 1 92 92 TRP CZ2 C 13 114.780 0.12 . 1 . . . . . . . . 5299 1 984 . 1 1 92 92 TRP HZ2 H 1 7.170 0.03 . 1 . . . . . . . . 5299 1 985 . 1 1 92 92 TRP HH2 H 1 7.390 0.03 . 1 . . . . . . . . 5299 1 986 . 1 1 92 92 TRP HZ3 H 1 6.890 0.03 . 1 . . . . . . . . 5299 1 987 . 1 1 92 92 TRP HE3 H 1 6.800 0.03 . 1 . . . . . . . . 5299 1 988 . 1 1 92 92 TRP C C 13 174.790 0.12 . 1 . . . . . . . . 5299 1 989 . 1 1 93 93 GLN N N 15 123.390 0.15 . 1 . . . . . . . . 5299 1 990 . 1 1 93 93 GLN H H 1 8.910 0.03 . 1 . . . . . . . . 5299 1 991 . 1 1 93 93 GLN CA C 13 55.330 0.12 . 1 . . . . . . . . 5299 1 992 . 1 1 93 93 GLN HA H 1 5.140 0.03 . 1 . . . . . . . . 5299 1 993 . 1 1 93 93 GLN CB C 13 32.550 0.12 . 1 . . . . . . . . 5299 1 994 . 1 1 93 93 GLN HB2 H 1 1.870 0.03 . 2 . . . . . . . . 5299 1 995 . 1 1 93 93 GLN HG2 H 1 2.220 0.03 . 2 . . . . . . . . 5299 1 996 . 1 1 93 93 GLN NE2 N 15 118.040 0.15 . 1 . . . . . . . . 5299 1 997 . 1 1 93 93 GLN HE22 H 1 9.180 0.03 . 2 . . . . . . . . 5299 1 998 . 1 1 93 93 GLN HE21 H 1 7.140 0.03 . 2 . . . . . . . . 5299 1 999 . 1 1 94 94 PHE N N 15 127.470 0.15 . 1 . . . . . . . . 5299 1 1000 . 1 1 94 94 PHE H H 1 9.780 0.03 . 1 . . . . . . . . 5299 1 1001 . 1 1 94 94 PHE CA C 13 55.698 0.12 . 1 . . . . . . . . 5299 1 1002 . 1 1 94 94 PHE HA H 1 5.880 0.03 . 1 . . . . . . . . 5299 1 1003 . 1 1 94 94 PHE CB C 13 40.095 0.12 . 1 . . . . . . . . 5299 1 1004 . 1 1 94 94 PHE HD1 H 1 7.790 0.03 . 1 . . . . . . . . 5299 1 1005 . 1 1 94 94 PHE HE1 H 1 7.090 0.03 . 1 . . . . . . . . 5299 1 1006 . 1 1 94 94 PHE HZ H 1 7.380 0.03 . 1 . . . . . . . . 5299 1 1007 . 1 1 94 94 PHE HE2 H 1 7.090 0.03 . 1 . . . . . . . . 5299 1 1008 . 1 1 94 94 PHE HD2 H 1 7.790 0.03 . 1 . . . . . . . . 5299 1 1009 . 1 1 94 94 PHE C C 13 175.940 0.12 . 1 . . . . . . . . 5299 1 1010 . 1 1 95 95 ASP N N 15 124.783 0.15 . 1 . . . . . . . . 5299 1 1011 . 1 1 95 95 ASP H H 1 8.939 0.03 . 1 . . . . . . . . 5299 1 1012 . 1 1 95 95 ASP CA C 13 54.175 0.12 . 1 . . . . . . . . 5299 1 1013 . 1 1 95 95 ASP HA H 1 5.400 0.03 . 1 . . . . . . . . 5299 1 1014 . 1 1 95 95 ASP CB C 13 43.331 0.12 . 1 . . . . . . . . 5299 1 1015 . 1 1 95 95 ASP HB2 H 1 2.820 0.03 . 2 . . . . . . . . 5299 1 1016 . 1 1 95 95 ASP HB3 H 1 2.640 0.03 . 2 . . . . . . . . 5299 1 1017 . 1 1 95 95 ASP C C 13 175.890 0.12 . 1 . . . . . . . . 5299 1 1018 . 1 1 96 96 ILE N N 15 123.531 0.15 . 1 . . . . . . . . 5299 1 1019 . 1 1 96 96 ILE H H 1 8.816 0.03 . 1 . . . . . . . . 5299 1 1020 . 1 1 96 96 ILE CA C 13 61.092 0.12 . 1 . . . . . . . . 5299 1 1021 . 1 1 96 96 ILE HA H 1 4.940 0.03 . 1 . . . . . . . . 5299 1 1022 . 1 1 96 96 ILE CB C 13 39.436 0.12 . 1 . . . . . . . . 5299 1 1023 . 1 1 96 96 ILE HB H 1 1.930 0.03 . 1 . . . . . . . . 5299 1 1024 . 1 1 96 96 ILE CG1 C 13 28.910 0.12 . 1 . . . . . . . . 5299 1 1025 . 1 1 96 96 ILE HG12 H 1 1.720 0.03 . 2 . . . . . . . . 5299 1 1026 . 1 1 96 96 ILE CD1 C 13 16.090 0.12 . 1 . . . . . . . . 5299 1 1027 . 1 1 96 96 ILE HD11 H 1 0.920 0.03 . 1 . . . . . . . . 5299 1 1028 . 1 1 96 96 ILE HD12 H 1 0.920 0.03 . 1 . . . . . . . . 5299 1 1029 . 1 1 96 96 ILE HD13 H 1 0.920 0.03 . 1 . . . . . . . . 5299 1 1030 . 1 1 96 96 ILE CG2 C 13 19.670 0.12 . 1 . . . . . . . . 5299 1 1031 . 1 1 96 96 ILE HG21 H 1 0.940 0.03 . 1 . . . . . . . . 5299 1 1032 . 1 1 96 96 ILE HG22 H 1 0.940 0.03 . 1 . . . . . . . . 5299 1 1033 . 1 1 96 96 ILE HG23 H 1 0.940 0.03 . 1 . . . . . . . . 5299 1 1034 . 1 1 96 96 ILE C C 13 176.060 0.12 . 1 . . . . . . . . 5299 1 1035 . 1 1 97 97 GLU N N 15 127.560 0.15 . 1 . . . . . . . . 5299 1 1036 . 1 1 97 97 GLU H H 1 9.530 0.03 . 1 . . . . . . . . 5299 1 1037 . 1 1 97 97 GLU CA C 13 54.386 0.12 . 1 . . . . . . . . 5299 1 1038 . 1 1 97 97 GLU HA H 1 4.840 0.03 . 1 . . . . . . . . 5299 1 1039 . 1 1 97 97 GLU CB C 13 32.088 0.12 . 1 . . . . . . . . 5299 1 1040 . 1 1 97 97 GLU CG C 13 36.210 0.12 . 1 . . . . . . . . 5299 1 1041 . 1 1 97 97 GLU HG2 H 1 2.140 0.03 . 2 . . . . . . . . 5299 1 1042 . 1 1 97 97 GLU C C 13 176.770 0.12 . 1 . . . . . . . . 5299 1 1043 . 1 1 98 98 CYS N N 15 121.605 0.15 . 1 . . . . . . . . 5299 1 1044 . 1 1 98 98 CYS H H 1 8.799 0.03 . 1 . . . . . . . . 5299 1 1045 . 1 1 98 98 CYS CA C 13 57.876 0.12 . 1 . . . . . . . . 5299 1 1046 . 1 1 98 98 CYS HA H 1 4.900 0.03 . 1 . . . . . . . . 5299 1 1047 . 1 1 98 98 CYS CB C 13 29.029 0.12 . 1 . . . . . . . . 5299 1 1048 . 1 1 98 98 CYS HB2 H 1 2.850 0.03 . 2 . . . . . . . . 5299 1 1049 . 1 1 98 98 CYS HB3 H 1 2.770 0.03 . 2 . . . . . . . . 5299 1 1050 . 1 1 98 98 CYS C C 13 174.720 0.12 . 1 . . . . . . . . 5299 1 1051 . 1 1 99 99 ASP N N 15 124.463 0.15 . 1 . . . . . . . . 5299 1 1052 . 1 1 99 99 ASP H H 1 8.297 0.03 . 1 . . . . . . . . 5299 1 1053 . 1 1 99 99 ASP CA C 13 53.512 0.12 . 1 . . . . . . . . 5299 1 1054 . 1 1 99 99 ASP HA H 1 4.240 0.03 . 1 . . . . . . . . 5299 1 1055 . 1 1 99 99 ASP CB C 13 40.653 0.12 . 1 . . . . . . . . 5299 1 1056 . 1 1 99 99 ASP HB2 H 1 2.700 0.03 . 2 . . . . . . . . 5299 1 1057 . 1 1 99 99 ASP HB3 H 1 2.410 0.03 . 2 . . . . . . . . 5299 1 1058 . 1 1 99 99 ASP C C 13 176.910 0.12 . 1 . . . . . . . . 5299 1 1059 . 1 1 100 100 LYS N N 15 124.570 0.15 . 1 . . . . . . . . 5299 1 1060 . 1 1 100 100 LYS H H 1 8.491 0.03 . 1 . . . . . . . . 5299 1 1061 . 1 1 100 100 LYS CA C 13 57.850 0.12 . 1 . . . . . . . . 5299 1 1062 . 1 1 100 100 LYS HA H 1 4.650 0.03 . 1 . . . . . . . . 5299 1 1063 . 1 1 100 100 LYS CB C 13 31.960 0.12 . 1 . . . . . . . . 5299 1 1064 . 1 1 100 100 LYS HB2 H 1 1.870 0.03 . 2 . . . . . . . . 5299 1 1065 . 1 1 100 100 LYS HB3 H 1 1.740 0.03 . 2 . . . . . . . . 5299 1 1066 . 1 1 100 100 LYS CG C 13 25.310 0.12 . 1 . . . . . . . . 5299 1 1067 . 1 1 100 100 LYS HG2 H 1 1.450 0.03 . 2 . . . . . . . . 5299 1 1068 . 1 1 100 100 LYS CD C 13 29.010 0.12 . 1 . . . . . . . . 5299 1 1069 . 1 1 100 100 LYS CE C 13 42.160 0.12 . 1 . . . . . . . . 5299 1 1070 . 1 1 100 100 LYS HE2 H 1 3.010 0.03 . 2 . . . . . . . . 5299 1 1071 . 1 1 100 100 LYS C C 13 178.390 0.12 . 1 . . . . . . . . 5299 1 1072 . 1 1 101 101 THR N N 15 112.631 0.15 . 1 . . . . . . . . 5299 1 1073 . 1 1 101 101 THR H H 1 8.362 0.03 . 1 . . . . . . . . 5299 1 1074 . 1 1 101 101 THR CA C 13 63.200 0.12 . 1 . . . . . . . . 5299 1 1075 . 1 1 101 101 THR HA H 1 3.730 0.03 . 1 . . . . . . . . 5299 1 1076 . 1 1 101 101 THR CB C 13 69.433 0.12 . 1 . . . . . . . . 5299 1 1077 . 1 1 101 101 THR HB H 1 4.280 0.03 . 1 . . . . . . . . 5299 1 1078 . 1 1 101 101 THR CG2 C 13 21.920 0.12 . 1 . . . . . . . . 5299 1 1079 . 1 1 101 101 THR HG21 H 1 1.250 0.03 . 1 . . . . . . . . 5299 1 1080 . 1 1 101 101 THR HG22 H 1 1.250 0.03 . 1 . . . . . . . . 5299 1 1081 . 1 1 101 101 THR HG23 H 1 1.250 0.03 . 1 . . . . . . . . 5299 1 1082 . 1 1 101 101 THR C C 13 176.280 0.12 . 1 . . . . . . . . 5299 1 1083 . 1 1 102 102 ALA N N 15 124.974 0.15 . 1 . . . . . . . . 5299 1 1084 . 1 1 102 102 ALA H H 1 7.899 0.03 . 1 . . . . . . . . 5299 1 1085 . 1 1 102 102 ALA CA C 13 53.300 0.12 . 1 . . . . . . . . 5299 1 1086 . 1 1 102 102 ALA HA H 1 4.270 0.03 . 1 . . . . . . . . 5299 1 1087 . 1 1 102 102 ALA CB C 13 19.550 0.12 . 1 . . . . . . . . 5299 1 1088 . 1 1 102 102 ALA HB1 H 1 1.370 0.03 . 1 . . . . . . . . 5299 1 1089 . 1 1 102 102 ALA HB2 H 1 1.370 0.03 . 1 . . . . . . . . 5299 1 1090 . 1 1 102 102 ALA HB3 H 1 1.370 0.03 . 1 . . . . . . . . 5299 1 1091 . 1 1 102 102 ALA C C 13 178.590 0.12 . 1 . . . . . . . . 5299 1 1092 . 1 1 103 103 LYS N N 15 117.936 0.15 . 1 . . . . . . . . 5299 1 1093 . 1 1 103 103 LYS H H 1 7.952 0.03 . 1 . . . . . . . . 5299 1 1094 . 1 1 103 103 LYS CA C 13 56.996 0.12 . 1 . . . . . . . . 5299 1 1095 . 1 1 103 103 LYS HA H 1 4.230 0.03 . 1 . . . . . . . . 5299 1 1096 . 1 1 103 103 LYS CB C 13 32.283 0.12 . 1 . . . . . . . . 5299 1 1097 . 1 1 103 103 LYS HB2 H 1 1.770 0.03 . 2 . . . . . . . . 5299 1 1098 . 1 1 103 103 LYS HB3 H 1 1.710 0.03 . 2 . . . . . . . . 5299 1 1099 . 1 1 103 103 LYS CG C 13 24.400 0.12 . 1 . . . . . . . . 5299 1 1100 . 1 1 103 103 LYS HG2 H 1 1.370 0.03 . 2 . . . . . . . . 5299 1 1101 . 1 1 103 103 LYS HE2 H 1 2.810 0.03 . 2 . . . . . . . . 5299 1 1102 . 1 1 103 103 LYS C C 13 177.320 0.12 . 1 . . . . . . . . 5299 1 1103 . 1 1 104 104 ASP N N 15 119.041 0.15 . 1 . . . . . . . . 5299 1 1104 . 1 1 104 104 ASP H H 1 8.013 0.03 . 1 . . . . . . . . 5299 1 1105 . 1 1 104 104 ASP CA C 13 54.641 0.12 . 1 . . . . . . . . 5299 1 1106 . 1 1 104 104 ASP HA H 1 4.180 0.03 . 1 . . . . . . . . 5299 1 1107 . 1 1 104 104 ASP CB C 13 41.274 0.12 . 1 . . . . . . . . 5299 1 1108 . 1 1 104 104 ASP HB2 H 1 2.630 0.03 . 2 . . . . . . . . 5299 1 1109 . 1 1 104 104 ASP HB3 H 1 2.780 0.03 . 2 . . . . . . . . 5299 1 1110 . 1 1 104 104 ASP C C 13 176.700 0.12 . 1 . . . . . . . . 5299 1 1111 . 1 1 105 105 ASP N N 15 120.211 0.15 . 1 . . . . . . . . 5299 1 1112 . 1 1 105 105 ASP H H 1 7.974 0.03 . 1 . . . . . . . . 5299 1 1113 . 1 1 105 105 ASP CA C 13 54.881 0.12 . 1 . . . . . . . . 5299 1 1114 . 1 1 105 105 ASP HA H 1 4.600 0.03 . 1 . . . . . . . . 5299 1 1115 . 1 1 105 105 ASP CB C 13 40.901 0.12 . 1 . . . . . . . . 5299 1 1116 . 1 1 105 105 ASP HB2 H 1 2.730 0.03 . 2 . . . . . . . . 5299 1 1117 . 1 1 105 105 ASP C C 13 177.080 0.12 . 1 . . . . . . . . 5299 1 1118 . 1 1 106 106 SER N N 15 115.411 0.15 . 1 . . . . . . . . 5299 1 1119 . 1 1 106 106 SER H H 1 8.283 0.03 . 1 . . . . . . . . 5299 1 1120 . 1 1 106 106 SER CA C 13 58.871 0.12 . 1 . . . . . . . . 5299 1 1121 . 1 1 106 106 SER HA H 1 4.430 0.03 . 1 . . . . . . . . 5299 1 1122 . 1 1 106 106 SER CB C 13 63.992 0.12 . 1 . . . . . . . . 5299 1 1123 . 1 1 106 106 SER HB2 H 1 3.910 0.03 . 2 . . . . . . . . 5299 1 1124 . 1 1 106 106 SER C C 13 174.570 0.12 . 1 . . . . . . . . 5299 1 1125 . 1 1 107 107 ALA N N 15 125.954 0.15 . 1 . . . . . . . . 5299 1 1126 . 1 1 107 107 ALA H H 1 7.986 0.03 . 1 . . . . . . . . 5299 1 1127 . 1 1 107 107 ALA CA C 13 50.568 0.12 . 1 . . . . . . . . 5299 1 1128 . 1 1 107 107 ALA HA H 1 3.810 0.03 . 1 . . . . . . . . 5299 1 1129 . 1 1 107 107 ALA CB C 13 18.960 0.12 . 1 . . . . . . . . 5299 1 1130 . 1 1 107 107 ALA HB1 H 1 1.380 0.03 . 1 . . . . . . . . 5299 1 1131 . 1 1 107 107 ALA HB2 H 1 1.380 0.03 . 1 . . . . . . . . 5299 1 1132 . 1 1 107 107 ALA HB3 H 1 1.380 0.03 . 1 . . . . . . . . 5299 1 1133 . 1 1 108 108 PRO CA C 13 63.000 0.12 . 1 . . . . . . . . 5299 1 1134 . 1 1 108 108 PRO CB C 13 31.787 0.12 . 1 . . . . . . . . 5299 1 1135 . 1 1 108 108 PRO HB2 H 1 2.140 0.03 . 2 . . . . . . . . 5299 1 1136 . 1 1 108 108 PRO CG C 13 27.410 0.12 . 1 . . . . . . . . 5299 1 1137 . 1 1 108 108 PRO HG2 H 1 1.940 0.03 . 2 . . . . . . . . 5299 1 1138 . 1 1 108 108 PRO HG3 H 1 1.810 0.03 . 2 . . . . . . . . 5299 1 1139 . 1 1 108 108 PRO C C 13 177.550 0.12 . 1 . . . . . . . . 5299 1 1140 . 1 1 109 109 ARG N N 15 121.673 0.15 . 1 . . . . . . . . 5299 1 1141 . 1 1 109 109 ARG H H 1 8.585 0.03 . 1 . . . . . . . . 5299 1 1142 . 1 1 109 109 ARG CA C 13 55.591 0.12 . 1 . . . . . . . . 5299 1 1143 . 1 1 109 109 ARG HA H 1 4.450 0.03 . 1 . . . . . . . . 5299 1 1144 . 1 1 109 109 ARG CB C 13 30.415 0.12 . 1 . . . . . . . . 5299 1 1145 . 1 1 109 109 ARG HB2 H 1 1.870 0.03 . 2 . . . . . . . . 5299 1 1146 . 1 1 109 109 ARG HG2 H 1 1.710 0.03 . 2 . . . . . . . . 5299 1 1147 . 1 1 109 109 ARG HD2 H 1 3.130 0.03 . 2 . . . . . . . . 5299 1 1148 . 1 1 109 109 ARG C C 13 176.880 0.12 . 1 . . . . . . . . 5299 1 1149 . 1 1 110 110 GLU N N 15 121.141 0.15 . 1 . . . . . . . . 5299 1 1150 . 1 1 110 110 GLU H H 1 8.432 0.03 . 1 . . . . . . . . 5299 1 1151 . 1 1 110 110 GLU CA C 13 56.327 0.12 . 1 . . . . . . . . 5299 1 1152 . 1 1 110 110 GLU HA H 1 4.240 0.03 . 1 . . . . . . . . 5299 1 1153 . 1 1 110 110 GLU CB C 13 30.113 0.12 . 1 . . . . . . . . 5299 1 1154 . 1 1 110 110 GLU HB2 H 1 1.950 0.03 . 2 . . . . . . . . 5299 1 1155 . 1 1 110 110 GLU CG C 13 36.320 0.12 . 1 . . . . . . . . 5299 1 1156 . 1 1 110 110 GLU HG2 H 1 2.170 0.03 . 2 . . . . . . . . 5299 1 1157 . 1 1 110 110 GLU C C 13 176.480 0.12 . 1 . . . . . . . . 5299 1 1158 . 1 1 111 111 LYS N N 15 124.387 0.15 . 1 . . . . . . . . 5299 1 1159 . 1 1 111 111 LYS H H 1 7.834 0.03 . 1 . . . . . . . . 5299 1 1160 . 1 1 111 111 LYS CA C 13 57.380 0.12 . 1 . . . . . . . . 5299 1 1161 . 1 1 111 111 LYS HA H 1 4.490 0.03 . 1 . . . . . . . . 5299 1 1162 . 1 1 111 111 LYS CB C 13 34.111 0.12 . 1 . . . . . . . . 5299 1 1163 . 1 1 111 111 LYS CG C 13 25.210 0.12 . 1 . . . . . . . . 5299 1 1164 . 1 1 111 111 LYS HE2 H 1 3.050 0.03 . 2 . . . . . . . . 5299 1 1165 . 1 1 111 111 LYS C C 13 175.100 0.12 . 1 . . . . . . . . 5299 1 1166 . 1 1 112 112 SER N N 15 120.399 0.15 . 1 . . . . . . . . 5299 1 1167 . 1 1 112 112 SER H H 1 8.471 0.03 . 1 . . . . . . . . 5299 1 1168 . 1 1 112 112 SER CA C 13 57.898 0.12 . 1 . . . . . . . . 5299 1 1169 . 1 1 112 112 SER HA H 1 4.270 0.03 . 1 . . . . . . . . 5299 1 1170 . 1 1 112 112 SER CB C 13 64.940 0.12 . 1 . . . . . . . . 5299 1 1171 . 1 1 112 112 SER HB2 H 1 3.980 0.03 . 2 . . . . . . . . 5299 1 1172 . 1 1 112 112 SER C C 13 175.860 0.12 . 1 . . . . . . . . 5299 1 1173 . 1 1 113 113 GLN N N 15 122.330 0.15 . 1 . . . . . . . . 5299 1 1174 . 1 1 113 113 GLN H H 1 8.893 0.03 . 1 . . . . . . . . 5299 1 1175 . 1 1 113 113 GLN CA C 13 59.568 0.12 . 1 . . . . . . . . 5299 1 1176 . 1 1 113 113 GLN HA H 1 3.980 0.03 . 1 . . . . . . . . 5299 1 1177 . 1 1 113 113 GLN CB C 13 27.772 0.12 . 1 . . . . . . . . 5299 1 1178 . 1 1 113 113 GLN HB2 H 1 1.890 0.03 . 2 . . . . . . . . 5299 1 1179 . 1 1 113 113 GLN HG2 H 1 2.710 0.03 . 2 . . . . . . . . 5299 1 1180 . 1 1 113 113 GLN HG3 H 1 2.410 0.03 . 2 . . . . . . . . 5299 1 1181 . 1 1 113 113 GLN NE2 N 15 110.710 0.15 . 1 . . . . . . . . 5299 1 1182 . 1 1 113 113 GLN HE22 H 1 7.460 0.03 . 2 . . . . . . . . 5299 1 1183 . 1 1 113 113 GLN HE21 H 1 6.980 0.03 . 2 . . . . . . . . 5299 1 1184 . 1 1 113 113 GLN C C 13 179.290 0.12 . 1 . . . . . . . . 5299 1 1185 . 1 1 114 114 LYS N N 15 119.888 0.15 . 1 . . . . . . . . 5299 1 1186 . 1 1 114 114 LYS H H 1 8.230 0.03 . 1 . . . . . . . . 5299 1 1187 . 1 1 114 114 LYS CA C 13 59.196 0.12 . 1 . . . . . . . . 5299 1 1188 . 1 1 114 114 LYS HA H 1 3.990 0.03 . 1 . . . . . . . . 5299 1 1189 . 1 1 114 114 LYS CB C 13 31.812 0.12 . 1 . . . . . . . . 5299 1 1190 . 1 1 114 114 LYS HB2 H 1 1.820 0.03 . 2 . . . . . . . . 5299 1 1191 . 1 1 114 114 LYS CG C 13 24.730 0.12 . 1 . . . . . . . . 5299 1 1192 . 1 1 114 114 LYS HG2 H 1 1.370 0.03 . 2 . . . . . . . . 5299 1 1193 . 1 1 114 114 LYS C C 13 178.320 0.12 . 1 . . . . . . . . 5299 1 1194 . 1 1 115 115 ALA N N 15 121.531 0.15 . 1 . . . . . . . . 5299 1 1195 . 1 1 115 115 ALA H H 1 7.795 0.03 . 1 . . . . . . . . 5299 1 1196 . 1 1 115 115 ALA CA C 13 54.989 0.12 . 1 . . . . . . . . 5299 1 1197 . 1 1 115 115 ALA HA H 1 4.230 0.03 . 1 . . . . . . . . 5299 1 1198 . 1 1 115 115 ALA CB C 13 18.840 0.12 . 1 . . . . . . . . 5299 1 1199 . 1 1 115 115 ALA HB1 H 1 1.570 0.03 . 1 . . . . . . . . 5299 1 1200 . 1 1 115 115 ALA HB2 H 1 1.570 0.03 . 1 . . . . . . . . 5299 1 1201 . 1 1 115 115 ALA HB3 H 1 1.570 0.03 . 1 . . . . . . . . 5299 1 1202 . 1 1 115 115 ALA C C 13 181.720 0.12 . 1 . . . . . . . . 5299 1 1203 . 1 1 116 116 ILE N N 15 117.772 0.15 . 1 . . . . . . . . 5299 1 1204 . 1 1 116 116 ILE H H 1 7.785 0.03 . 1 . . . . . . . . 5299 1 1205 . 1 1 116 116 ILE CA C 13 65.858 0.12 . 1 . . . . . . . . 5299 1 1206 . 1 1 116 116 ILE HA H 1 3.980 0.03 . 1 . . . . . . . . 5299 1 1207 . 1 1 116 116 ILE CB C 13 37.935 0.12 . 1 . . . . . . . . 5299 1 1208 . 1 1 116 116 ILE CD1 C 13 14.650 0.12 . 1 . . . . . . . . 5299 1 1209 . 1 1 116 116 ILE HD11 H 1 0.970 0.03 . 1 . . . . . . . . 5299 1 1210 . 1 1 116 116 ILE HD12 H 1 0.970 0.03 . 1 . . . . . . . . 5299 1 1211 . 1 1 116 116 ILE HD13 H 1 0.970 0.03 . 1 . . . . . . . . 5299 1 1212 . 1 1 116 116 ILE C C 13 178.260 0.12 . 1 . . . . . . . . 5299 1 1213 . 1 1 117 117 GLN N N 15 118.193 0.15 . 1 . . . . . . . . 5299 1 1214 . 1 1 117 117 GLN H H 1 8.412 0.03 . 1 . . . . . . . . 5299 1 1215 . 1 1 117 117 GLN CA C 13 59.984 0.12 . 1 . . . . . . . . 5299 1 1216 . 1 1 117 117 GLN HA H 1 4.170 0.03 . 1 . . . . . . . . 5299 1 1217 . 1 1 117 117 GLN CB C 13 27.700 0.12 . 1 . . . . . . . . 5299 1 1218 . 1 1 117 117 GLN HB2 H 1 2.110 0.03 . 2 . . . . . . . . 5299 1 1219 . 1 1 117 117 GLN HG2 H 1 2.390 0.03 . 2 . . . . . . . . 5299 1 1220 . 1 1 117 117 GLN NE2 N 15 111.950 0.15 . 1 . . . . . . . . 5299 1 1221 . 1 1 117 117 GLN HE22 H 1 6.930 0.03 . 2 . . . . . . . . 5299 1 1222 . 1 1 117 117 GLN HE21 H 1 7.570 0.03 . 2 . . . . . . . . 5299 1 1223 . 1 1 117 117 GLN C C 13 178.460 0.12 . 1 . . . . . . . . 5299 1 1224 . 1 1 118 118 ASP N N 15 119.433 0.15 . 1 . . . . . . . . 5299 1 1225 . 1 1 118 118 ASP H H 1 8.461 0.03 . 1 . . . . . . . . 5299 1 1226 . 1 1 118 118 ASP CA C 13 57.511 0.12 . 1 . . . . . . . . 5299 1 1227 . 1 1 118 118 ASP HA H 1 4.280 0.03 . 1 . . . . . . . . 5299 1 1228 . 1 1 118 118 ASP CB C 13 40.088 0.12 . 1 . . . . . . . . 5299 1 1229 . 1 1 118 118 ASP HB2 H 1 2.870 0.03 . 2 . . . . . . . . 5299 1 1230 . 1 1 118 118 ASP C C 13 180.030 0.12 . 1 . . . . . . . . 5299 1 1231 . 1 1 119 119 GLU N N 15 120.998 0.15 . 1 . . . . . . . . 5299 1 1232 . 1 1 119 119 GLU H H 1 7.732 0.03 . 1 . . . . . . . . 5299 1 1233 . 1 1 119 119 GLU CA C 13 59.727 0.12 . 1 . . . . . . . . 5299 1 1234 . 1 1 119 119 GLU HA H 1 4.100 0.03 . 1 . . . . . . . . 5299 1 1235 . 1 1 119 119 GLU CB C 13 32.546 0.12 . 1 . . . . . . . . 5299 1 1236 . 1 1 119 119 GLU CG C 13 36.420 0.12 . 1 . . . . . . . . 5299 1 1237 . 1 1 119 119 GLU HG2 H 1 2.290 0.03 . 2 . . . . . . . . 5299 1 1238 . 1 1 119 119 GLU C C 13 180.870 0.12 . 1 . . . . . . . . 5299 1 1239 . 1 1 120 120 ILE N N 15 121.511 0.15 . 1 . . . . . . . . 5299 1 1240 . 1 1 120 120 ILE H H 1 8.198 0.03 . 1 . . . . . . . . 5299 1 1241 . 1 1 120 120 ILE CA C 13 66.407 0.12 . 1 . . . . . . . . 5299 1 1242 . 1 1 120 120 ILE HA H 1 3.760 0.03 . 1 . . . . . . . . 5299 1 1243 . 1 1 120 120 ILE CB C 13 36.791 0.12 . 1 . . . . . . . . 5299 1 1244 . 1 1 120 120 ILE HB H 1 -1.280 0.03 . 1 . . . . . . . . 5299 1 1245 . 1 1 120 120 ILE HG12 H 1 0.960 0.03 . 2 . . . . . . . . 5299 1 1246 . 1 1 120 120 ILE HG13 H 1 1.150 0.03 . 2 . . . . . . . . 5299 1 1247 . 1 1 120 120 ILE CD1 C 13 14.700 0.12 . 1 . . . . . . . . 5299 1 1248 . 1 1 120 120 ILE HD11 H 1 0.240 0.03 . 1 . . . . . . . . 5299 1 1249 . 1 1 120 120 ILE HD12 H 1 0.240 0.03 . 1 . . . . . . . . 5299 1 1250 . 1 1 120 120 ILE HD13 H 1 0.240 0.03 . 1 . . . . . . . . 5299 1 1251 . 1 1 120 120 ILE CG2 C 13 16.640 0.12 . 1 . . . . . . . . 5299 1 1252 . 1 1 120 120 ILE HG21 H 1 -0.120 0.03 . 1 . . . . . . . . 5299 1 1253 . 1 1 120 120 ILE HG22 H 1 -0.120 0.03 . 1 . . . . . . . . 5299 1 1254 . 1 1 120 120 ILE HG23 H 1 -0.120 0.03 . 1 . . . . . . . . 5299 1 1255 . 1 1 120 120 ILE C C 13 178.360 0.12 . 1 . . . . . . . . 5299 1 1256 . 1 1 121 121 ARG N N 15 120.159 0.15 . 1 . . . . . . . . 5299 1 1257 . 1 1 121 121 ARG H H 1 8.656 0.03 . 1 . . . . . . . . 5299 1 1258 . 1 1 121 121 ARG CA C 13 59.963 0.12 . 1 . . . . . . . . 5299 1 1259 . 1 1 121 121 ARG HA H 1 3.680 0.03 . 1 . . . . . . . . 5299 1 1260 . 1 1 121 121 ARG CB C 13 29.066 0.12 . 1 . . . . . . . . 5299 1 1261 . 1 1 121 121 ARG CG C 13 30.580 0.12 . 1 . . . . . . . . 5299 1 1262 . 1 1 121 121 ARG C C 13 178.700 0.12 . 1 . . . . . . . . 5299 1 1263 . 1 1 122 122 SER N N 15 112.580 0.15 . 1 . . . . . . . . 5299 1 1264 . 1 1 122 122 SER H H 1 7.530 0.03 . 1 . . . . . . . . 5299 1 1265 . 1 1 122 122 SER CA C 13 62.233 0.12 . 1 . . . . . . . . 5299 1 1266 . 1 1 122 122 SER HA H 1 4.240 0.03 . 1 . . . . . . . . 5299 1 1267 . 1 1 122 122 SER CB C 13 63.005 0.12 . 1 . . . . . . . . 5299 1 1268 . 1 1 122 122 SER HB2 H 1 4.090 0.03 . 2 . . . . . . . . 5299 1 1269 . 1 1 122 122 SER C C 13 177.660 0.12 . 1 . . . . . . . . 5299 1 1270 . 1 1 123 123 VAL N N 15 123.652 0.15 . 1 . . . . . . . . 5299 1 1271 . 1 1 123 123 VAL H H 1 7.828 0.03 . 1 . . . . . . . . 5299 1 1272 . 1 1 123 123 VAL CA C 13 66.923 0.12 . 1 . . . . . . . . 5299 1 1273 . 1 1 123 123 VAL HA H 1 3.860 0.03 . 1 . . . . . . . . 5299 1 1274 . 1 1 123 123 VAL CB C 13 31.427 0.12 . 1 . . . . . . . . 5299 1 1275 . 1 1 123 123 VAL HB H 1 2.310 0.03 . 1 . . . . . . . . 5299 1 1276 . 1 1 123 123 VAL CG2 C 13 23.710 0.12 . 1 . . . . . . . . 5299 1 1277 . 1 1 123 123 VAL HG21 H 1 1.110 0.03 . 1 . . . . . . . . 5299 1 1278 . 1 1 123 123 VAL HG22 H 1 1.110 0.03 . 1 . . . . . . . . 5299 1 1279 . 1 1 123 123 VAL HG23 H 1 1.110 0.03 . 1 . . . . . . . . 5299 1 1280 . 1 1 123 123 VAL CG1 C 13 21.460 0.12 . 1 . . . . . . . . 5299 1 1281 . 1 1 123 123 VAL HG11 H 1 1.290 0.03 . 1 . . . . . . . . 5299 1 1282 . 1 1 123 123 VAL HG12 H 1 1.290 0.03 . 1 . . . . . . . . 5299 1 1283 . 1 1 123 123 VAL HG13 H 1 1.290 0.03 . 1 . . . . . . . . 5299 1 1284 . 1 1 123 123 VAL C C 13 179.240 0.12 . 1 . . . . . . . . 5299 1 1285 . 1 1 124 124 ILE N N 15 120.611 0.15 . 1 . . . . . . . . 5299 1 1286 . 1 1 124 124 ILE H H 1 8.779 0.03 . 1 . . . . . . . . 5299 1 1287 . 1 1 124 124 ILE CA C 13 64.805 0.12 . 1 . . . . . . . . 5299 1 1288 . 1 1 124 124 ILE HA H 1 3.840 0.03 . 1 . . . . . . . . 5299 1 1289 . 1 1 124 124 ILE CB C 13 35.867 0.12 . 1 . . . . . . . . 5299 1 1290 . 1 1 124 124 ILE HB H 1 1.930 0.03 . 1 . . . . . . . . 5299 1 1291 . 1 1 124 124 ILE HG12 H 1 1.720 0.03 . 2 . . . . . . . . 5299 1 1292 . 1 1 124 124 ILE CD1 C 13 12.300 0.12 . 1 . . . . . . . . 5299 1 1293 . 1 1 124 124 ILE HD11 H 1 0.730 0.03 . 1 . . . . . . . . 5299 1 1294 . 1 1 124 124 ILE HD12 H 1 0.730 0.03 . 1 . . . . . . . . 5299 1 1295 . 1 1 124 124 ILE HD13 H 1 0.730 0.03 . 1 . . . . . . . . 5299 1 1296 . 1 1 124 124 ILE CG2 C 13 18.670 0.12 . 1 . . . . . . . . 5299 1 1297 . 1 1 124 124 ILE HG21 H 1 0.980 0.03 . 1 . . . . . . . . 5299 1 1298 . 1 1 124 124 ILE HG22 H 1 0.980 0.03 . 1 . . . . . . . . 5299 1 1299 . 1 1 124 124 ILE HG23 H 1 0.980 0.03 . 1 . . . . . . . . 5299 1 1300 . 1 1 124 124 ILE C C 13 179.710 0.12 . 1 . . . . . . . . 5299 1 1301 . 1 1 125 125 ARG N N 15 119.947 0.15 . 1 . . . . . . . . 5299 1 1302 . 1 1 125 125 ARG H H 1 8.870 0.03 . 1 . . . . . . . . 5299 1 1303 . 1 1 125 125 ARG CA C 13 60.030 0.12 . 1 . . . . . . . . 5299 1 1304 . 1 1 125 125 ARG HA H 1 4.100 0.03 . 1 . . . . . . . . 5299 1 1305 . 1 1 125 125 ARG CB C 13 29.584 0.12 . 1 . . . . . . . . 5299 1 1306 . 1 1 125 125 ARG HB2 H 1 1.270 0.03 . 2 . . . . . . . . 5299 1 1307 . 1 1 125 125 ARG CD C 13 39.580 0.12 . 1 . . . . . . . . 5299 1 1308 . 1 1 125 125 ARG C C 13 180.020 0.12 . 1 . . . . . . . . 5299 1 1309 . 1 1 126 126 GLN N N 15 119.522 0.15 . 1 . . . . . . . . 5299 1 1310 . 1 1 126 126 GLN H H 1 7.913 0.03 . 1 . . . . . . . . 5299 1 1311 . 1 1 126 126 GLN CA C 13 59.076 0.12 . 1 . . . . . . . . 5299 1 1312 . 1 1 126 126 GLN HA H 1 4.300 0.03 . 1 . . . . . . . . 5299 1 1313 . 1 1 126 126 GLN CB C 13 27.943 0.12 . 1 . . . . . . . . 5299 1 1314 . 1 1 126 126 GLN HB2 H 1 2.440 0.03 . 2 . . . . . . . . 5299 1 1315 . 1 1 126 126 GLN HG2 H 1 2.710 0.03 . 2 . . . . . . . . 5299 1 1316 . 1 1 126 126 GLN NE2 N 15 109.380 0.15 . 1 . . . . . . . . 5299 1 1317 . 1 1 126 126 GLN HE22 H 1 7.300 0.03 . 2 . . . . . . . . 5299 1 1318 . 1 1 126 126 GLN HE21 H 1 6.880 0.03 . 2 . . . . . . . . 5299 1 1319 . 1 1 126 126 GLN C C 13 180.250 0.12 . 1 . . . . . . . . 5299 1 1320 . 1 1 127 127 ILE N N 15 122.579 0.15 . 1 . . . . . . . . 5299 1 1321 . 1 1 127 127 ILE H H 1 8.624 0.03 . 1 . . . . . . . . 5299 1 1322 . 1 1 127 127 ILE CA C 13 67.279 0.12 . 1 . . . . . . . . 5299 1 1323 . 1 1 127 127 ILE HA H 1 3.850 0.03 . 1 . . . . . . . . 5299 1 1324 . 1 1 127 127 ILE CB C 13 37.621 0.12 . 1 . . . . . . . . 5299 1 1325 . 1 1 127 127 ILE HB H 1 2.370 0.03 . 1 . . . . . . . . 5299 1 1326 . 1 1 127 127 ILE HG12 H 1 1.290 0.03 . 2 . . . . . . . . 5299 1 1327 . 1 1 127 127 ILE CD1 C 13 13.330 0.12 . 1 . . . . . . . . 5299 1 1328 . 1 1 127 127 ILE HD11 H 1 1.130 0.03 . 1 . . . . . . . . 5299 1 1329 . 1 1 127 127 ILE HD12 H 1 1.130 0.03 . 1 . . . . . . . . 5299 1 1330 . 1 1 127 127 ILE HD13 H 1 1.130 0.03 . 1 . . . . . . . . 5299 1 1331 . 1 1 127 127 ILE CG2 C 13 15.850 0.12 . 1 . . . . . . . . 5299 1 1332 . 1 1 127 127 ILE HG21 H 1 0.820 0.03 . 1 . . . . . . . . 5299 1 1333 . 1 1 127 127 ILE HG22 H 1 0.820 0.03 . 1 . . . . . . . . 5299 1 1334 . 1 1 127 127 ILE HG23 H 1 0.820 0.03 . 1 . . . . . . . . 5299 1 1335 . 1 1 127 127 ILE C C 13 178.960 0.12 . 1 . . . . . . . . 5299 1 1336 . 1 1 128 128 THR N N 15 113.640 0.15 . 1 . . . . . . . . 5299 1 1337 . 1 1 128 128 THR H H 1 8.326 0.03 . 1 . . . . . . . . 5299 1 1338 . 1 1 128 128 THR CA C 13 65.713 0.12 . 1 . . . . . . . . 5299 1 1339 . 1 1 128 128 THR HA H 1 4.410 0.03 . 1 . . . . . . . . 5299 1 1340 . 1 1 128 128 THR CB C 13 68.828 0.12 . 1 . . . . . . . . 5299 1 1341 . 1 1 128 128 THR HB H 1 4.310 0.03 . 1 . . . . . . . . 5299 1 1342 . 1 1 128 128 THR CG2 C 13 21.940 0.12 . 1 . . . . . . . . 5299 1 1343 . 1 1 128 128 THR HG21 H 1 1.370 0.03 . 1 . . . . . . . . 5299 1 1344 . 1 1 128 128 THR HG22 H 1 1.370 0.03 . 1 . . . . . . . . 5299 1 1345 . 1 1 128 128 THR HG23 H 1 1.370 0.03 . 1 . . . . . . . . 5299 1 1346 . 1 1 128 128 THR C C 13 177.070 0.12 . 1 . . . . . . . . 5299 1 1347 . 1 1 129 129 ALA N N 15 122.752 0.15 . 1 . . . . . . . . 5299 1 1348 . 1 1 129 129 ALA H H 1 8.020 0.03 . 1 . . . . . . . . 5299 1 1349 . 1 1 129 129 ALA CA C 13 53.995 0.12 . 1 . . . . . . . . 5299 1 1350 . 1 1 129 129 ALA HA H 1 4.380 0.03 . 1 . . . . . . . . 5299 1 1351 . 1 1 129 129 ALA CB C 13 19.200 0.12 . 1 . . . . . . . . 5299 1 1352 . 1 1 129 129 ALA HB1 H 1 1.650 0.03 . 1 . . . . . . . . 5299 1 1353 . 1 1 129 129 ALA HB2 H 1 1.650 0.03 . 1 . . . . . . . . 5299 1 1354 . 1 1 129 129 ALA HB3 H 1 1.650 0.03 . 1 . . . . . . . . 5299 1 1355 . 1 1 129 129 ALA C C 13 180.360 0.12 . 1 . . . . . . . . 5299 1 1356 . 1 1 130 130 THR N N 15 113.148 0.15 . 1 . . . . . . . . 5299 1 1357 . 1 1 130 130 THR H H 1 7.977 0.03 . 1 . . . . . . . . 5299 1 1358 . 1 1 130 130 THR CA C 13 65.571 0.12 . 1 . . . . . . . . 5299 1 1359 . 1 1 130 130 THR HA H 1 4.130 0.03 . 1 . . . . . . . . 5299 1 1360 . 1 1 130 130 THR CB C 13 68.920 0.12 . 1 . . . . . . . . 5299 1 1361 . 1 1 130 130 THR HB H 1 3.810 0.03 . 1 . . . . . . . . 5299 1 1362 . 1 1 130 130 THR CG2 C 13 22.110 0.12 . 1 . . . . . . . . 5299 1 1363 . 1 1 130 130 THR HG21 H 1 1.480 0.03 . 1 . . . . . . . . 5299 1 1364 . 1 1 130 130 THR HG22 H 1 1.480 0.03 . 1 . . . . . . . . 5299 1 1365 . 1 1 130 130 THR HG23 H 1 1.480 0.03 . 1 . . . . . . . . 5299 1 1366 . 1 1 130 130 THR C C 13 176.510 0.12 . 1 . . . . . . . . 5299 1 1367 . 1 1 131 131 VAL N N 15 117.538 0.15 . 1 . . . . . . . . 5299 1 1368 . 1 1 131 131 VAL H H 1 7.365 0.03 . 1 . . . . . . . . 5299 1 1369 . 1 1 131 131 VAL CA C 13 64.971 0.12 . 1 . . . . . . . . 5299 1 1370 . 1 1 131 131 VAL HA H 1 3.740 0.03 . 1 . . . . . . . . 5299 1 1371 . 1 1 131 131 VAL CB C 13 30.765 0.12 . 1 . . . . . . . . 5299 1 1372 . 1 1 131 131 VAL HB H 1 2.340 0.03 . 1 . . . . . . . . 5299 1 1373 . 1 1 131 131 VAL CG2 C 13 21.400 0.12 . 1 . . . . . . . . 5299 1 1374 . 1 1 131 131 VAL HG21 H 1 1.130 0.03 . 1 . . . . . . . . 5299 1 1375 . 1 1 131 131 VAL HG22 H 1 1.130 0.03 . 1 . . . . . . . . 5299 1 1376 . 1 1 131 131 VAL HG23 H 1 1.130 0.03 . 1 . . . . . . . . 5299 1 1377 . 1 1 131 131 VAL CG1 C 13 21.920 0.12 . 1 . . . . . . . . 5299 1 1378 . 1 1 131 131 VAL HG11 H 1 1.080 0.03 . 1 . . . . . . . . 5299 1 1379 . 1 1 131 131 VAL HG12 H 1 1.080 0.03 . 1 . . . . . . . . 5299 1 1380 . 1 1 131 131 VAL HG13 H 1 1.080 0.03 . 1 . . . . . . . . 5299 1 1381 . 1 1 131 131 VAL C C 13 177.520 0.12 . 1 . . . . . . . . 5299 1 1382 . 1 1 132 132 THR N N 15 110.967 0.15 . 1 . . . . . . . . 5299 1 1383 . 1 1 132 132 THR H H 1 7.489 0.03 . 1 . . . . . . . . 5299 1 1384 . 1 1 132 132 THR CA C 13 64.541 0.12 . 1 . . . . . . . . 5299 1 1385 . 1 1 132 132 THR HA H 1 4.160 0.03 . 1 . . . . . . . . 5299 1 1386 . 1 1 132 132 THR CB C 13 69.375 0.12 . 1 . . . . . . . . 5299 1 1387 . 1 1 132 132 THR HB H 1 3.760 0.03 . 1 . . . . . . . . 5299 1 1388 . 1 1 132 132 THR CG2 C 13 22.140 0.12 . 1 . . . . . . . . 5299 1 1389 . 1 1 132 132 THR HG21 H 1 1.260 0.03 . 1 . . . . . . . . 5299 1 1390 . 1 1 132 132 THR HG22 H 1 1.260 0.03 . 1 . . . . . . . . 5299 1 1391 . 1 1 132 132 THR HG23 H 1 1.260 0.03 . 1 . . . . . . . . 5299 1 1392 . 1 1 132 132 THR C C 13 175.590 0.12 . 1 . . . . . . . . 5299 1 1393 . 1 1 133 133 PHE N N 15 116.374 0.15 . 1 . . . . . . . . 5299 1 1394 . 1 1 133 133 PHE H H 1 7.352 0.03 . 1 . . . . . . . . 5299 1 1395 . 1 1 133 133 PHE CA C 13 57.004 0.12 . 1 . . . . . . . . 5299 1 1396 . 1 1 133 133 PHE HA H 1 4.890 0.03 . 1 . . . . . . . . 5299 1 1397 . 1 1 133 133 PHE CB C 13 39.952 0.12 . 1 . . . . . . . . 5299 1 1398 . 1 1 133 133 PHE HB2 H 1 3.200 0.03 . 2 . . . . . . . . 5299 1 1399 . 1 1 133 133 PHE HB3 H 1 3.010 0.03 . 2 . . . . . . . . 5299 1 1400 . 1 1 133 133 PHE HD1 H 1 6.970 0.03 . 1 . . . . . . . . 5299 1 1401 . 1 1 133 133 PHE HD2 H 1 6.970 0.03 . 1 . . . . . . . . 5299 1 1402 . 1 1 133 133 PHE C C 13 175.750 0.12 . 1 . . . . . . . . 5299 1 1403 . 1 1 134 134 LEU N N 15 123.493 0.15 . 1 . . . . . . . . 5299 1 1404 . 1 1 134 134 LEU H H 1 7.191 0.03 . 1 . . . . . . . . 5299 1 1405 . 1 1 134 134 LEU CA C 13 53.010 0.12 . 1 . . . . . . . . 5299 1 1406 . 1 1 134 134 LEU HA H 1 3.930 0.03 . 1 . . . . . . . . 5299 1 1407 . 1 1 134 134 LEU CB C 13 40.123 0.12 . 1 . . . . . . . . 5299 1 1408 . 1 1 134 134 LEU CD1 C 13 26.390 0.12 . 1 . . . . . . . . 5299 1 1409 . 1 1 134 134 LEU HD11 H 1 0.820 0.03 . 1 . . . . . . . . 5299 1 1410 . 1 1 134 134 LEU HD12 H 1 0.820 0.03 . 1 . . . . . . . . 5299 1 1411 . 1 1 134 134 LEU HD13 H 1 0.820 0.03 . 1 . . . . . . . . 5299 1 1412 . 1 1 134 134 LEU CD2 C 13 23.250 0.12 . 1 . . . . . . . . 5299 1 1413 . 1 1 134 134 LEU HD21 H 1 0.330 0.03 . 1 . . . . . . . . 5299 1 1414 . 1 1 134 134 LEU HD22 H 1 0.330 0.03 . 1 . . . . . . . . 5299 1 1415 . 1 1 134 134 LEU HD23 H 1 0.330 0.03 . 1 . . . . . . . . 5299 1 1416 . 1 1 135 135 PRO CA C 13 62.968 0.12 . 1 . . . . . . . . 5299 1 1417 . 1 1 135 135 PRO CB C 13 31.567 0.12 . 1 . . . . . . . . 5299 1 1418 . 1 1 135 135 PRO HB2 H 1 2.270 0.03 . 2 . . . . . . . . 5299 1 1419 . 1 1 135 135 PRO C C 13 177.240 0.12 . 1 . . . . . . . . 5299 1 1420 . 1 1 136 136 LEU N N 15 122.883 0.15 . 1 . . . . . . . . 5299 1 1421 . 1 1 136 136 LEU H H 1 8.252 0.03 . 1 . . . . . . . . 5299 1 1422 . 1 1 136 136 LEU CA C 13 55.464 0.12 . 1 . . . . . . . . 5299 1 1423 . 1 1 136 136 LEU HA H 1 4.300 0.03 . 1 . . . . . . . . 5299 1 1424 . 1 1 136 136 LEU CB C 13 41.571 0.12 . 1 . . . . . . . . 5299 1 1425 . 1 1 136 136 LEU HB2 H 1 1.580 0.03 . 2 . . . . . . . . 5299 1 1426 . 1 1 136 136 LEU HB3 H 1 1.440 0.03 . 2 . . . . . . . . 5299 1 1427 . 1 1 136 136 LEU CD1 C 13 24.510 0.12 . 1 . . . . . . . . 5299 1 1428 . 1 1 136 136 LEU HD11 H 1 0.870 0.03 . 1 . . . . . . . . 5299 1 1429 . 1 1 136 136 LEU HD12 H 1 0.870 0.03 . 1 . . . . . . . . 5299 1 1430 . 1 1 136 136 LEU HD13 H 1 0.870 0.03 . 1 . . . . . . . . 5299 1 1431 . 1 1 136 136 LEU C C 13 178.340 0.12 . 1 . . . . . . . . 5299 1 1432 . 1 1 137 137 LEU N N 15 125.144 0.15 . 1 . . . . . . . . 5299 1 1433 . 1 1 137 137 LEU H H 1 8.529 0.03 . 1 . . . . . . . . 5299 1 1434 . 1 1 137 137 LEU CA C 13 54.582 0.12 . 1 . . . . . . . . 5299 1 1435 . 1 1 137 137 LEU HA H 1 4.470 0.03 . 1 . . . . . . . . 5299 1 1436 . 1 1 137 137 LEU CB C 13 40.610 0.12 . 1 . . . . . . . . 5299 1 1437 . 1 1 137 137 LEU CD1 C 13 26.540 0.12 . 1 . . . . . . . . 5299 1 1438 . 1 1 137 137 LEU HD11 H 1 1.100 0.03 . 1 . . . . . . . . 5299 1 1439 . 1 1 137 137 LEU HD12 H 1 1.100 0.03 . 1 . . . . . . . . 5299 1 1440 . 1 1 137 137 LEU HD13 H 1 1.100 0.03 . 1 . . . . . . . . 5299 1 1441 . 1 1 137 137 LEU C C 13 177.920 0.12 . 1 . . . . . . . . 5299 1 1442 . 1 1 138 138 GLU N N 15 122.109 0.15 . 1 . . . . . . . . 5299 1 1443 . 1 1 138 138 GLU H H 1 8.733 0.03 . 1 . . . . . . . . 5299 1 1444 . 1 1 138 138 GLU CA C 13 57.184 0.12 . 1 . . . . . . . . 5299 1 1445 . 1 1 138 138 GLU HA H 1 4.480 0.03 . 1 . . . . . . . . 5299 1 1446 . 1 1 138 138 GLU CB C 13 29.942 0.12 . 1 . . . . . . . . 5299 1 1447 . 1 1 138 138 GLU HB2 H 1 2.040 0.03 . 2 . . . . . . . . 5299 1 1448 . 1 1 138 138 GLU HB3 H 1 1.920 0.03 . 2 . . . . . . . . 5299 1 1449 . 1 1 138 138 GLU CG C 13 37.080 0.12 . 1 . . . . . . . . 5299 1 1450 . 1 1 138 138 GLU HG2 H 1 2.210 0.03 . 2 . . . . . . . . 5299 1 1451 . 1 1 138 138 GLU C C 13 176.590 0.12 . 1 . . . . . . . . 5299 1 1452 . 1 1 139 139 VAL N N 15 111.429 0.15 . 1 . . . . . . . . 5299 1 1453 . 1 1 139 139 VAL H H 1 7.163 0.03 . 1 . . . . . . . . 5299 1 1454 . 1 1 139 139 VAL CA C 13 58.848 0.12 . 1 . . . . . . . . 5299 1 1455 . 1 1 139 139 VAL HA H 1 4.520 0.03 . 1 . . . . . . . . 5299 1 1456 . 1 1 139 139 VAL CB C 13 33.873 0.12 . 1 . . . . . . . . 5299 1 1457 . 1 1 139 139 VAL HB H 1 2.340 0.03 . 1 . . . . . . . . 5299 1 1458 . 1 1 139 139 VAL CG2 C 13 18.380 0.12 . 1 . . . . . . . . 5299 1 1459 . 1 1 139 139 VAL HG21 H 1 0.780 0.03 . 1 . . . . . . . . 5299 1 1460 . 1 1 139 139 VAL HG22 H 1 0.780 0.03 . 1 . . . . . . . . 5299 1 1461 . 1 1 139 139 VAL HG23 H 1 0.780 0.03 . 1 . . . . . . . . 5299 1 1462 . 1 1 139 139 VAL CG1 C 13 22.100 0.12 . 1 . . . . . . . . 5299 1 1463 . 1 1 139 139 VAL HG11 H 1 0.940 0.03 . 1 . . . . . . . . 5299 1 1464 . 1 1 139 139 VAL HG12 H 1 0.940 0.03 . 1 . . . . . . . . 5299 1 1465 . 1 1 139 139 VAL HG13 H 1 0.940 0.03 . 1 . . . . . . . . 5299 1 1466 . 1 1 139 139 VAL C C 13 176.010 0.12 . 1 . . . . . . . . 5299 1 1467 . 1 1 140 140 SER N N 15 117.311 0.15 . 1 . . . . . . . . 5299 1 1468 . 1 1 140 140 SER H H 1 8.446 0.03 . 1 . . . . . . . . 5299 1 1469 . 1 1 140 140 SER CA C 13 59.690 0.12 . 1 . . . . . . . . 5299 1 1470 . 1 1 140 140 SER HA H 1 4.530 0.03 . 1 . . . . . . . . 5299 1 1471 . 1 1 140 140 SER CB C 13 63.171 0.12 . 1 . . . . . . . . 5299 1 1472 . 1 1 140 140 SER HB2 H 1 3.860 0.03 . 2 . . . . . . . . 5299 1 1473 . 1 1 140 140 SER C C 13 175.590 0.12 . 1 . . . . . . . . 5299 1 1474 . 1 1 141 141 CYS N N 15 122.753 0.15 . 1 . . . . . . . . 5299 1 1475 . 1 1 141 141 CYS H H 1 8.693 0.03 . 1 . . . . . . . . 5299 1 1476 . 1 1 141 141 CYS CA C 13 59.185 0.12 . 1 . . . . . . . . 5299 1 1477 . 1 1 141 141 CYS HA H 1 5.640 0.03 . 1 . . . . . . . . 5299 1 1478 . 1 1 141 141 CYS CB C 13 32.839 0.12 . 1 . . . . . . . . 5299 1 1479 . 1 1 141 141 CYS HB2 H 1 2.770 0.03 . 2 . . . . . . . . 5299 1 1480 . 1 1 141 141 CYS HB3 H 1 2.840 0.03 . 2 . . . . . . . . 5299 1 1481 . 1 1 141 141 CYS C C 13 174.650 0.12 . 1 . . . . . . . . 5299 1 1482 . 1 1 142 142 SER N N 15 115.100 0.15 . 1 . . . . . . . . 5299 1 1483 . 1 1 142 142 SER H H 1 8.943 0.03 . 1 . . . . . . . . 5299 1 1484 . 1 1 142 142 SER CA C 13 55.822 0.12 . 1 . . . . . . . . 5299 1 1485 . 1 1 142 142 SER HA H 1 3.920 0.03 . 1 . . . . . . . . 5299 1 1486 . 1 1 142 142 SER CB C 13 65.615 0.12 . 1 . . . . . . . . 5299 1 1487 . 1 1 142 142 SER HB2 H 1 3.640 0.03 . 2 . . . . . . . . 5299 1 1488 . 1 1 142 142 SER C C 13 173.730 0.12 . 1 . . . . . . . . 5299 1 1489 . 1 1 143 143 PHE N N 15 116.795 0.15 . 1 . . . . . . . . 5299 1 1490 . 1 1 143 143 PHE H H 1 8.283 0.03 . 1 . . . . . . . . 5299 1 1491 . 1 1 143 143 PHE CA C 13 54.629 0.12 . 1 . . . . . . . . 5299 1 1492 . 1 1 143 143 PHE HA H 1 6.360 0.03 . 1 . . . . . . . . 5299 1 1493 . 1 1 143 143 PHE CB C 13 42.726 0.12 . 1 . . . . . . . . 5299 1 1494 . 1 1 143 143 PHE HB2 H 1 3.130 0.03 . 2 . . . . . . . . 5299 1 1495 . 1 1 143 143 PHE HD1 H 1 7.180 0.03 . 1 . . . . . . . . 5299 1 1496 . 1 1 143 143 PHE HE1 H 1 7.520 0.03 . 1 . . . . . . . . 5299 1 1497 . 1 1 143 143 PHE HE2 H 1 7.520 0.03 . 1 . . . . . . . . 5299 1 1498 . 1 1 143 143 PHE HD2 H 1 7.180 0.03 . 1 . . . . . . . . 5299 1 1499 . 1 1 143 143 PHE C C 13 172.400 0.12 . 1 . . . . . . . . 5299 1 1500 . 1 1 144 144 ASP N N 15 119.485 0.15 . 1 . . . . . . . . 5299 1 1501 . 1 1 144 144 ASP H H 1 8.818 0.03 . 1 . . . . . . . . 5299 1 1502 . 1 1 144 144 ASP CA C 13 52.580 0.12 . 1 . . . . . . . . 5299 1 1503 . 1 1 144 144 ASP HA H 1 4.510 0.03 . 1 . . . . . . . . 5299 1 1504 . 1 1 144 144 ASP CB C 13 45.049 0.12 . 1 . . . . . . . . 5299 1 1505 . 1 1 144 144 ASP HB2 H 1 2.360 0.03 . 2 . . . . . . . . 5299 1 1506 . 1 1 144 144 ASP C C 13 174.550 0.12 . 1 . . . . . . . . 5299 1 1507 . 1 1 145 145 LEU N N 15 125.693 0.15 . 1 . . . . . . . . 5299 1 1508 . 1 1 145 145 LEU H H 1 8.650 0.03 . 1 . . . . . . . . 5299 1 1509 . 1 1 145 145 LEU CA C 13 54.289 0.12 . 1 . . . . . . . . 5299 1 1510 . 1 1 145 145 LEU HA H 1 5.590 0.03 . 1 . . . . . . . . 5299 1 1511 . 1 1 145 145 LEU CB C 13 44.713 0.12 . 1 . . . . . . . . 5299 1 1512 . 1 1 145 145 LEU HB2 H 1 2.040 0.03 . 2 . . . . . . . . 5299 1 1513 . 1 1 145 145 LEU HB3 H 1 1.860 0.03 . 2 . . . . . . . . 5299 1 1514 . 1 1 145 145 LEU CD1 C 13 27.490 0.12 . 1 . . . . . . . . 5299 1 1515 . 1 1 145 145 LEU HD11 H 1 1.250 0.03 . 1 . . . . . . . . 5299 1 1516 . 1 1 145 145 LEU HD12 H 1 1.250 0.03 . 1 . . . . . . . . 5299 1 1517 . 1 1 145 145 LEU HD13 H 1 1.250 0.03 . 1 . . . . . . . . 5299 1 1518 . 1 1 145 145 LEU CD2 C 13 26.800 0.12 . 1 . . . . . . . . 5299 1 1519 . 1 1 145 145 LEU HD21 H 1 1.250 0.03 . 1 . . . . . . . . 5299 1 1520 . 1 1 145 145 LEU HD22 H 1 1.250 0.03 . 1 . . . . . . . . 5299 1 1521 . 1 1 145 145 LEU HD23 H 1 1.250 0.03 . 1 . . . . . . . . 5299 1 1522 . 1 1 145 145 LEU C C 13 174.720 0.12 . 1 . . . . . . . . 5299 1 1523 . 1 1 146 146 LEU N N 15 122.990 0.15 . 1 . . . . . . . . 5299 1 1524 . 1 1 146 146 LEU H H 1 9.553 0.03 . 1 . . . . . . . . 5299 1 1525 . 1 1 146 146 LEU CA C 13 52.487 0.12 . 1 . . . . . . . . 5299 1 1526 . 1 1 146 146 LEU HA H 1 6.220 0.03 . 1 . . . . . . . . 5299 1 1527 . 1 1 146 146 LEU CB C 13 46.081 0.12 . 1 . . . . . . . . 5299 1 1528 . 1 1 146 146 LEU CD1 C 13 26.080 0.12 . 1 . . . . . . . . 5299 1 1529 . 1 1 146 146 LEU HD11 H 1 0.690 0.03 . 1 . . . . . . . . 5299 1 1530 . 1 1 146 146 LEU HD12 H 1 0.690 0.03 . 1 . . . . . . . . 5299 1 1531 . 1 1 146 146 LEU HD13 H 1 0.690 0.03 . 1 . . . . . . . . 5299 1 1532 . 1 1 146 146 LEU CD2 C 13 24.790 0.12 . 1 . . . . . . . . 5299 1 1533 . 1 1 146 146 LEU HD21 H 1 0.870 0.03 . 1 . . . . . . . . 5299 1 1534 . 1 1 146 146 LEU HD22 H 1 0.870 0.03 . 1 . . . . . . . . 5299 1 1535 . 1 1 146 146 LEU HD23 H 1 0.870 0.03 . 1 . . . . . . . . 5299 1 1536 . 1 1 146 146 LEU C C 13 178.400 0.12 . 1 . . . . . . . . 5299 1 1537 . 1 1 147 147 ILE N N 15 114.032 0.15 . 1 . . . . . . . . 5299 1 1538 . 1 1 147 147 ILE H H 1 9.625 0.03 . 1 . . . . . . . . 5299 1 1539 . 1 1 147 147 ILE CA C 13 58.318 0.12 . 1 . . . . . . . . 5299 1 1540 . 1 1 147 147 ILE HA H 1 5.450 0.03 . 1 . . . . . . . . 5299 1 1541 . 1 1 147 147 ILE CB C 13 42.410 0.12 . 1 . . . . . . . . 5299 1 1542 . 1 1 147 147 ILE CD1 C 13 15.470 0.12 . 1 . . . . . . . . 5299 1 1543 . 1 1 147 147 ILE HD11 H 1 0.180 0.03 . 1 . . . . . . . . 5299 1 1544 . 1 1 147 147 ILE HD12 H 1 0.180 0.03 . 1 . . . . . . . . 5299 1 1545 . 1 1 147 147 ILE HD13 H 1 0.180 0.03 . 1 . . . . . . . . 5299 1 1546 . 1 1 147 147 ILE CG2 C 13 20.330 0.12 . 1 . . . . . . . . 5299 1 1547 . 1 1 147 147 ILE HG21 H 1 1.080 0.03 . 1 . . . . . . . . 5299 1 1548 . 1 1 147 147 ILE HG22 H 1 1.080 0.03 . 1 . . . . . . . . 5299 1 1549 . 1 1 147 147 ILE HG23 H 1 1.080 0.03 . 1 . . . . . . . . 5299 1 1550 . 1 1 147 147 ILE C C 13 175.080 0.12 . 1 . . . . . . . . 5299 1 1551 . 1 1 148 148 TYR N N 15 120.570 0.15 . 1 . . . . . . . . 5299 1 1552 . 1 1 148 148 TYR H H 1 8.173 0.03 . 1 . . . . . . . . 5299 1 1553 . 1 1 148 148 TYR CA C 13 56.193 0.12 . 1 . . . . . . . . 5299 1 1554 . 1 1 148 148 TYR CB C 13 40.503 0.12 . 1 . . . . . . . . 5299 1 1555 . 1 1 148 148 TYR CD1 C 13 132.820 0.12 . 1 . . . . . . . . 5299 1 1556 . 1 1 148 148 TYR HD1 H 1 5.450 0.03 . 1 . . . . . . . . 5299 1 1557 . 1 1 148 148 TYR HE1 H 1 6.530 0.03 . 1 . . . . . . . . 5299 1 1558 . 1 1 148 148 TYR HE2 H 1 6.530 0.03 . 1 . . . . . . . . 5299 1 1559 . 1 1 148 148 TYR CD2 C 13 132.820 0.12 . 1 . . . . . . . . 5299 1 1560 . 1 1 148 148 TYR HD2 H 1 5.450 0.03 . 1 . . . . . . . . 5299 1 1561 . 1 1 148 148 TYR C C 13 175.280 0.12 . 1 . . . . . . . . 5299 1 1562 . 1 1 149 149 THR N N 15 120.566 0.15 . 1 . . . . . . . . 5299 1 1563 . 1 1 149 149 THR H H 1 7.321 0.03 . 1 . . . . . . . . 5299 1 1564 . 1 1 149 149 THR CA C 13 58.479 0.12 . 1 . . . . . . . . 5299 1 1565 . 1 1 149 149 THR HA H 1 4.530 0.03 . 1 . . . . . . . . 5299 1 1566 . 1 1 149 149 THR CB C 13 70.063 0.12 . 1 . . . . . . . . 5299 1 1567 . 1 1 149 149 THR HB H 1 3.770 0.03 . 1 . . . . . . . . 5299 1 1568 . 1 1 149 149 THR CG2 C 13 19.800 0.12 . 1 . . . . . . . . 5299 1 1569 . 1 1 149 149 THR HG21 H 1 0.680 0.03 . 1 . . . . . . . . 5299 1 1570 . 1 1 149 149 THR HG22 H 1 0.680 0.03 . 1 . . . . . . . . 5299 1 1571 . 1 1 149 149 THR HG23 H 1 0.680 0.03 . 1 . . . . . . . . 5299 1 1572 . 1 1 150 150 ASP N N 15 122.381 0.15 . 1 . . . . . . . . 5299 1 1573 . 1 1 150 150 ASP H H 1 8.209 0.03 . 1 . . . . . . . . 5299 1 1574 . 1 1 150 150 ASP CA C 13 54.106 0.12 . 1 . . . . . . . . 5299 1 1575 . 1 1 150 150 ASP HA H 1 4.450 0.03 . 1 . . . . . . . . 5299 1 1576 . 1 1 150 150 ASP CB C 13 41.078 0.12 . 1 . . . . . . . . 5299 1 1577 . 1 1 150 150 ASP HB2 H 1 2.570 0.03 . 2 . . . . . . . . 5299 1 1578 . 1 1 150 150 ASP C C 13 177.600 0.12 . 1 . . . . . . . . 5299 1 1579 . 1 1 151 151 LYS N N 15 121.030 0.15 . 1 . . . . . . . . 5299 1 1580 . 1 1 151 151 LYS H H 1 8.191 0.03 . 1 . . . . . . . . 5299 1 1581 . 1 1 151 151 LYS CA C 13 55.241 0.12 . 1 . . . . . . . . 5299 1 1582 . 1 1 151 151 LYS HA H 1 4.410 0.03 . 1 . . . . . . . . 5299 1 1583 . 1 1 151 151 LYS CB C 13 32.886 0.12 . 1 . . . . . . . . 5299 1 1584 . 1 1 151 151 LYS HB2 H 1 1.530 0.03 . 2 . . . . . . . . 5299 1 1585 . 1 1 151 151 LYS CG C 13 36.220 0.12 . 1 . . . . . . . . 5299 1 1586 . 1 1 151 151 LYS HG2 H 1 1.340 0.03 . 2 . . . . . . . . 5299 1 1587 . 1 1 151 151 LYS C C 13 176.590 0.12 . 1 . . . . . . . . 5299 1 1588 . 1 1 152 152 ASP N N 15 119.633 0.15 . 1 . . . . . . . . 5299 1 1589 . 1 1 152 152 ASP H H 1 8.222 0.03 . 1 . . . . . . . . 5299 1 1590 . 1 1 152 152 ASP CA C 13 54.588 0.12 . 1 . . . . . . . . 5299 1 1591 . 1 1 152 152 ASP HA H 1 4.460 0.03 . 1 . . . . . . . . 5299 1 1592 . 1 1 152 152 ASP CB C 13 39.914 0.12 . 1 . . . . . . . . 5299 1 1593 . 1 1 152 152 ASP HB2 H 1 2.490 0.03 . 2 . . . . . . . . 5299 1 1594 . 1 1 152 152 ASP HB3 H 1 2.610 0.03 . 2 . . . . . . . . 5299 1 1595 . 1 1 152 152 ASP C C 13 176.010 0.12 . 1 . . . . . . . . 5299 1 1596 . 1 1 153 153 LEU N N 15 122.528 0.15 . 1 . . . . . . . . 5299 1 1597 . 1 1 153 153 LEU H H 1 7.484 0.03 . 1 . . . . . . . . 5299 1 1598 . 1 1 153 153 LEU CA C 13 54.705 0.12 . 1 . . . . . . . . 5299 1 1599 . 1 1 153 153 LEU HA H 1 4.190 0.03 . 1 . . . . . . . . 5299 1 1600 . 1 1 153 153 LEU CB C 13 43.349 0.12 . 1 . . . . . . . . 5299 1 1601 . 1 1 153 153 LEU HB2 H 1 1.260 0.03 . 2 . . . . . . . . 5299 1 1602 . 1 1 153 153 LEU CG C 13 26.540 0.12 . 1 . . . . . . . . 5299 1 1603 . 1 1 153 153 LEU HG H 1 1.100 0.03 . 1 . . . . . . . . 5299 1 1604 . 1 1 153 153 LEU CD1 C 13 23.880 0.12 . 1 . . . . . . . . 5299 1 1605 . 1 1 153 153 LEU HD11 H 1 0.300 0.03 . 1 . . . . . . . . 5299 1 1606 . 1 1 153 153 LEU HD12 H 1 0.300 0.03 . 1 . . . . . . . . 5299 1 1607 . 1 1 153 153 LEU HD13 H 1 0.300 0.03 . 1 . . . . . . . . 5299 1 1608 . 1 1 153 153 LEU CD2 C 13 24.120 0.12 . 1 . . . . . . . . 5299 1 1609 . 1 1 153 153 LEU HD21 H 1 0.040 0.03 . 1 . . . . . . . . 5299 1 1610 . 1 1 153 153 LEU HD22 H 1 0.040 0.03 . 1 . . . . . . . . 5299 1 1611 . 1 1 153 153 LEU HD23 H 1 0.040 0.03 . 1 . . . . . . . . 5299 1 1612 . 1 1 153 153 LEU C C 13 177.080 0.12 . 1 . . . . . . . . 5299 1 1613 . 1 1 154 154 VAL N N 15 124.079 0.15 . 1 . . . . . . . . 5299 1 1614 . 1 1 154 154 VAL H H 1 8.065 0.03 . 1 . . . . . . . . 5299 1 1615 . 1 1 154 154 VAL CA C 13 62.372 0.12 . 1 . . . . . . . . 5299 1 1616 . 1 1 154 154 VAL HA H 1 4.030 0.03 . 1 . . . . . . . . 5299 1 1617 . 1 1 154 154 VAL CB C 13 30.677 0.12 . 1 . . . . . . . . 5299 1 1618 . 1 1 154 154 VAL HB H 1 1.970 0.03 . 1 . . . . . . . . 5299 1 1619 . 1 1 154 154 VAL CG2 C 13 21.170 0.12 . 1 . . . . . . . . 5299 1 1620 . 1 1 154 154 VAL HG21 H 1 0.930 0.03 . 1 . . . . . . . . 5299 1 1621 . 1 1 154 154 VAL HG22 H 1 0.930 0.03 . 1 . . . . . . . . 5299 1 1622 . 1 1 154 154 VAL HG23 H 1 0.930 0.03 . 1 . . . . . . . . 5299 1 1623 . 1 1 154 154 VAL CG1 C 13 21.470 0.12 . 1 . . . . . . . . 5299 1 1624 . 1 1 154 154 VAL HG11 H 1 0.850 0.03 . 1 . . . . . . . . 5299 1 1625 . 1 1 154 154 VAL HG12 H 1 0.850 0.03 . 1 . . . . . . . . 5299 1 1626 . 1 1 154 154 VAL HG13 H 1 0.850 0.03 . 1 . . . . . . . . 5299 1 1627 . 1 1 154 154 VAL C C 13 176.730 0.12 . 1 . . . . . . . . 5299 1 1628 . 1 1 155 155 VAL N N 15 126.005 0.15 . 1 . . . . . . . . 5299 1 1629 . 1 1 155 155 VAL H H 1 8.006 0.03 . 1 . . . . . . . . 5299 1 1630 . 1 1 155 155 VAL CA C 13 59.944 0.12 . 1 . . . . . . . . 5299 1 1631 . 1 1 155 155 VAL HA H 1 4.160 0.03 . 1 . . . . . . . . 5299 1 1632 . 1 1 155 155 VAL CB C 13 31.099 0.12 . 1 . . . . . . . . 5299 1 1633 . 1 1 155 155 VAL HB H 1 1.770 0.03 . 1 . . . . . . . . 5299 1 1634 . 1 1 155 155 VAL CG2 C 13 20.350 0.12 . 1 . . . . . . . . 5299 1 1635 . 1 1 155 155 VAL HG21 H 1 0.500 0.03 . 1 . . . . . . . . 5299 1 1636 . 1 1 155 155 VAL HG22 H 1 0.500 0.03 . 1 . . . . . . . . 5299 1 1637 . 1 1 155 155 VAL HG23 H 1 0.500 0.03 . 1 . . . . . . . . 5299 1 1638 . 1 1 155 155 VAL CG1 C 13 21.620 0.12 . 1 . . . . . . . . 5299 1 1639 . 1 1 155 155 VAL HG11 H 1 0.260 0.03 . 1 . . . . . . . . 5299 1 1640 . 1 1 155 155 VAL HG12 H 1 0.260 0.03 . 1 . . . . . . . . 5299 1 1641 . 1 1 155 155 VAL HG13 H 1 0.260 0.03 . 1 . . . . . . . . 5299 1 1642 . 1 1 156 156 PRO CA C 13 62.507 0.12 . 1 . . . . . . . . 5299 1 1643 . 1 1 156 156 PRO HA H 1 4.590 0.03 . 1 . . . . . . . . 5299 1 1644 . 1 1 156 156 PRO CB C 13 31.904 0.12 . 1 . . . . . . . . 5299 1 1645 . 1 1 156 156 PRO HB2 H 1 2.380 0.03 . 2 . . . . . . . . 5299 1 1646 . 1 1 156 156 PRO HB3 H 1 2.060 0.03 . 2 . . . . . . . . 5299 1 1647 . 1 1 156 156 PRO CG C 13 27.510 0.12 . 1 . . . . . . . . 5299 1 1648 . 1 1 156 156 PRO HG2 H 1 1.780 0.03 . 2 . . . . . . . . 5299 1 1649 . 1 1 156 156 PRO HD2 H 1 3.150 0.03 . 2 . . . . . . . . 5299 1 1650 . 1 1 156 156 PRO HD3 H 1 3.060 0.03 . 2 . . . . . . . . 5299 1 1651 . 1 1 156 156 PRO C C 13 177.130 0.12 . 1 . . . . . . . . 5299 1 1652 . 1 1 157 157 GLU N N 15 118.524 0.15 . 1 . . . . . . . . 5299 1 1653 . 1 1 157 157 GLU H H 1 8.379 0.03 . 1 . . . . . . . . 5299 1 1654 . 1 1 157 157 GLU CA C 13 58.830 0.12 . 1 . . . . . . . . 5299 1 1655 . 1 1 157 157 GLU HA H 1 4.170 0.03 . 1 . . . . . . . . 5299 1 1656 . 1 1 157 157 GLU CB C 13 29.578 0.12 . 1 . . . . . . . . 5299 1 1657 . 1 1 157 157 GLU HB2 H 1 2.070 0.03 . 2 . . . . . . . . 5299 1 1658 . 1 1 157 157 GLU CG C 13 36.280 0.12 . 1 . . . . . . . . 5299 1 1659 . 1 1 157 157 GLU HG2 H 1 2.360 0.03 . 2 . . . . . . . . 5299 1 1660 . 1 1 157 157 GLU C C 13 177.520 0.12 . 1 . . . . . . . . 5299 1 1661 . 1 1 158 158 LYS N N 15 115.341 0.15 . 1 . . . . . . . . 5299 1 1662 . 1 1 158 158 LYS H H 1 8.144 0.03 . 1 . . . . . . . . 5299 1 1663 . 1 1 158 158 LYS CA C 13 58.579 0.12 . 1 . . . . . . . . 5299 1 1664 . 1 1 158 158 LYS HA H 1 3.990 0.03 . 1 . . . . . . . . 5299 1 1665 . 1 1 158 158 LYS CB C 13 30.822 0.12 . 1 . . . . . . . . 5299 1 1666 . 1 1 158 158 LYS HB2 H 1 1.560 0.03 . 2 . . . . . . . . 5299 1 1667 . 1 1 158 158 LYS CG C 13 25.690 0.12 . 1 . . . . . . . . 5299 1 1668 . 1 1 158 158 LYS HG2 H 1 1.390 0.03 . 2 . . . . . . . . 5299 1 1669 . 1 1 158 158 LYS CD C 13 28.630 0.12 . 1 . . . . . . . . 5299 1 1670 . 1 1 158 158 LYS HD2 H 1 1.660 0.03 . 2 . . . . . . . . 5299 1 1671 . 1 1 158 158 LYS CE C 13 42.180 0.12 . 1 . . . . . . . . 5299 1 1672 . 1 1 158 158 LYS HE2 H 1 2.990 0.03 . 2 . . . . . . . . 5299 1 1673 . 1 1 158 158 LYS C C 13 177.010 0.12 . 1 . . . . . . . . 5299 1 1674 . 1 1 159 159 TRP N N 15 119.493 0.15 . 1 . . . . . . . . 5299 1 1675 . 1 1 159 159 TRP H H 1 7.792 0.03 . 1 . . . . . . . . 5299 1 1676 . 1 1 159 159 TRP CA C 13 57.656 0.12 . 1 . . . . . . . . 5299 1 1677 . 1 1 159 159 TRP HA H 1 5.050 0.03 . 1 . . . . . . . . 5299 1 1678 . 1 1 159 159 TRP CB C 13 28.859 0.12 . 1 . . . . . . . . 5299 1 1679 . 1 1 159 159 TRP HB2 H 1 3.030 0.03 . 2 . . . . . . . . 5299 1 1680 . 1 1 159 159 TRP HB3 H 1 3.200 0.03 . 2 . . . . . . . . 5299 1 1681 . 1 1 159 159 TRP CD1 C 13 127.010 0.12 . 1 . . . . . . . . 5299 1 1682 . 1 1 159 159 TRP HD1 H 1 7.030 0.03 . 1 . . . . . . . . 5299 1 1683 . 1 1 159 159 TRP NE1 N 15 130.460 0.15 . 1 . . . . . . . . 5299 1 1684 . 1 1 159 159 TRP HE1 H 1 10.020 0.03 . 1 . . . . . . . . 5299 1 1685 . 1 1 159 159 TRP CZ2 C 13 114.240 0.12 . 1 . . . . . . . . 5299 1 1686 . 1 1 159 159 TRP HZ2 H 1 6.880 0.03 . 1 . . . . . . . . 5299 1 1687 . 1 1 159 159 TRP HH2 H 1 7.200 0.03 . 1 . . . . . . . . 5299 1 1688 . 1 1 159 159 TRP HZ3 H 1 7.810 0.03 . 1 . . . . . . . . 5299 1 1689 . 1 1 159 159 TRP CE3 C 13 121.300 0.12 . 1 . . . . . . . . 5299 1 1690 . 1 1 159 159 TRP HE3 H 1 7.440 0.03 . 1 . . . . . . . . 5299 1 1691 . 1 1 159 159 TRP C C 13 176.660 0.12 . 1 . . . . . . . . 5299 1 1692 . 1 1 160 160 GLU N N 15 121.299 0.15 . 1 . . . . . . . . 5299 1 1693 . 1 1 160 160 GLU H H 1 9.531 0.03 . 1 . . . . . . . . 5299 1 1694 . 1 1 160 160 GLU CA C 13 54.661 0.12 . 1 . . . . . . . . 5299 1 1695 . 1 1 160 160 GLU HA H 1 4.920 0.03 . 1 . . . . . . . . 5299 1 1696 . 1 1 160 160 GLU CB C 13 32.497 0.12 . 1 . . . . . . . . 5299 1 1697 . 1 1 160 160 GLU HB2 H 1 2.150 0.03 . 2 . . . . . . . . 5299 1 1698 . 1 1 160 160 GLU CG C 13 35.910 0.12 . 1 . . . . . . . . 5299 1 1699 . 1 1 160 160 GLU HG2 H 1 2.330 0.03 . 2 . . . . . . . . 5299 1 1700 . 1 1 160 160 GLU C C 13 177.380 0.12 . 1 . . . . . . . . 5299 1 1701 . 1 1 161 161 GLU N N 15 123.959 0.15 . 1 . . . . . . . . 5299 1 1702 . 1 1 161 161 GLU H H 1 9.120 0.03 . 1 . . . . . . . . 5299 1 1703 . 1 1 161 161 GLU CA C 13 58.377 0.12 . 1 . . . . . . . . 5299 1 1704 . 1 1 161 161 GLU HA H 1 4.280 0.03 . 1 . . . . . . . . 5299 1 1705 . 1 1 161 161 GLU CB C 13 29.269 0.12 . 1 . . . . . . . . 5299 1 1706 . 1 1 161 161 GLU HB2 H 1 2.080 0.03 . 2 . . . . . . . . 5299 1 1707 . 1 1 161 161 GLU CG C 13 36.790 0.12 . 1 . . . . . . . . 5299 1 1708 . 1 1 161 161 GLU HG2 H 1 2.420 0.03 . 2 . . . . . . . . 5299 1 1709 . 1 1 161 161 GLU C C 13 177.250 0.12 . 1 . . . . . . . . 5299 1 1710 . 1 1 162 162 SER N N 15 119.171 0.15 . 1 . . . . . . . . 5299 1 1711 . 1 1 162 162 SER H H 1 8.093 0.03 . 1 . . . . . . . . 5299 1 1712 . 1 1 162 162 SER CA C 13 56.236 0.12 . 1 . . . . . . . . 5299 1 1713 . 1 1 162 162 SER HA H 1 4.290 0.03 . 1 . . . . . . . . 5299 1 1714 . 1 1 162 162 SER CB C 13 65.075 0.12 . 1 . . . . . . . . 5299 1 1715 . 1 1 162 162 SER HB2 H 1 3.280 0.03 . 2 . . . . . . . . 5299 1 1716 . 1 1 162 162 SER HB3 H 1 3.800 0.03 . 2 . . . . . . . . 5299 1 1717 . 1 1 162 162 SER C C 13 174.450 0.12 . 1 . . . . . . . . 5299 1 1718 . 1 1 163 163 GLY N N 15 110.713 0.15 . 1 . . . . . . . . 5299 1 1719 . 1 1 163 163 GLY H H 1 8.266 0.03 . 1 . . . . . . . . 5299 1 1720 . 1 1 163 163 GLY CA C 13 44.388 0.12 . 1 . . . . . . . . 5299 1 1721 . 1 1 163 163 GLY HA2 H 1 4.280 0.03 . 2 . . . . . . . . 5299 1 1722 . 1 1 163 163 GLY HA3 H 1 3.750 0.03 . 2 . . . . . . . . 5299 1 1723 . 1 1 164 164 PRO CA C 13 62.479 0.12 . 1 . . . . . . . . 5299 1 1724 . 1 1 164 164 PRO CB C 13 29.997 0.12 . 1 . . . . . . . . 5299 1 1725 . 1 1 164 164 PRO CG C 13 21.780 0.12 . 1 . . . . . . . . 5299 1 1726 . 1 1 164 164 PRO HG2 H 1 0.910 0.03 . 2 . . . . . . . . 5299 1 1727 . 1 1 164 164 PRO HG3 H 1 1.210 0.03 . 2 . . . . . . . . 5299 1 1728 . 1 1 164 164 PRO CD C 13 42.090 0.12 . 1 . . . . . . . . 5299 1 1729 . 1 1 164 164 PRO HD2 H 1 2.810 0.03 . 2 . . . . . . . . 5299 1 1730 . 1 1 164 164 PRO C C 13 176.180 0.12 . 1 . . . . . . . . 5299 1 1731 . 1 1 165 165 GLN N N 15 113.597 0.15 . 1 . . . . . . . . 5299 1 1732 . 1 1 165 165 GLN H H 1 7.804 0.03 . 1 . . . . . . . . 5299 1 1733 . 1 1 165 165 GLN CA C 13 55.711 0.12 . 1 . . . . . . . . 5299 1 1734 . 1 1 165 165 GLN HA H 1 3.550 0.03 . 1 . . . . . . . . 5299 1 1735 . 1 1 165 165 GLN CB C 13 26.141 0.12 . 1 . . . . . . . . 5299 1 1736 . 1 1 165 165 GLN HB2 H 1 1.850 0.03 . 2 . . . . . . . . 5299 1 1737 . 1 1 165 165 GLN CG C 13 33.500 0.12 . 1 . . . . . . . . 5299 1 1738 . 1 1 165 165 GLN HG2 H 1 2.010 0.03 . 2 . . . . . . . . 5299 1 1739 . 1 1 165 165 GLN NE2 N 15 111.950 0.15 . 1 . . . . . . . . 5299 1 1740 . 1 1 165 165 GLN HE22 H 1 6.800 0.03 . 2 . . . . . . . . 5299 1 1741 . 1 1 165 165 GLN HE21 H 1 6.760 0.03 . 2 . . . . . . . . 5299 1 1742 . 1 1 165 165 GLN C C 13 175.080 0.12 . 1 . . . . . . . . 5299 1 1743 . 1 1 166 166 PHE N N 15 113.309 0.15 . 1 . . . . . . . . 5299 1 1744 . 1 1 166 166 PHE H H 1 7.247 0.03 . 1 . . . . . . . . 5299 1 1745 . 1 1 166 166 PHE CA C 13 57.456 0.12 . 1 . . . . . . . . 5299 1 1746 . 1 1 166 166 PHE HA H 1 4.210 0.03 . 1 . . . . . . . . 5299 1 1747 . 1 1 166 166 PHE CB C 13 38.954 0.12 . 1 . . . . . . . . 5299 1 1748 . 1 1 166 166 PHE HB2 H 1 2.990 0.03 . 2 . . . . . . . . 5299 1 1749 . 1 1 166 166 PHE HB3 H 1 2.560 0.03 . 2 . . . . . . . . 5299 1 1750 . 1 1 166 166 PHE HD1 H 1 7.060 0.03 . 1 . . . . . . . . 5299 1 1751 . 1 1 166 166 PHE HD2 H 1 7.060 0.03 . 1 . . . . . . . . 5299 1 1752 . 1 1 166 166 PHE C C 13 177.420 0.12 . 1 . . . . . . . . 5299 1 1753 . 1 1 167 167 ILE N N 15 120.660 0.15 . 1 . . . . . . . . 5299 1 1754 . 1 1 167 167 ILE H H 1 8.250 0.03 . 1 . . . . . . . . 5299 1 1755 . 1 1 167 167 ILE CA C 13 60.355 0.12 . 1 . . . . . . . . 5299 1 1756 . 1 1 167 167 ILE HA H 1 4.280 0.03 . 1 . . . . . . . . 5299 1 1757 . 1 1 167 167 ILE CB C 13 38.960 0.12 . 1 . . . . . . . . 5299 1 1758 . 1 1 167 167 ILE CD1 C 13 14.610 0.12 . 1 . . . . . . . . 5299 1 1759 . 1 1 167 167 ILE HD11 H 1 0.550 0.03 . 1 . . . . . . . . 5299 1 1760 . 1 1 167 167 ILE HD12 H 1 0.550 0.03 . 1 . . . . . . . . 5299 1 1761 . 1 1 167 167 ILE HD13 H 1 0.550 0.03 . 1 . . . . . . . . 5299 1 1762 . 1 1 167 167 ILE CG2 C 13 17.640 0.12 . 1 . . . . . . . . 5299 1 1763 . 1 1 167 167 ILE HG21 H 1 0.720 0.03 . 1 . . . . . . . . 5299 1 1764 . 1 1 167 167 ILE HG22 H 1 0.720 0.03 . 1 . . . . . . . . 5299 1 1765 . 1 1 167 167 ILE HG23 H 1 0.720 0.03 . 1 . . . . . . . . 5299 1 1766 . 1 1 167 167 ILE C C 13 177.070 0.12 . 1 . . . . . . . . 5299 1 1767 . 1 1 168 168 THR N N 15 122.804 0.15 . 1 . . . . . . . . 5299 1 1768 . 1 1 168 168 THR H H 1 8.514 0.03 . 1 . . . . . . . . 5299 1 1769 . 1 1 168 168 THR CA C 13 64.475 0.12 . 1 . . . . . . . . 5299 1 1770 . 1 1 168 168 THR CB C 13 69.010 0.12 . 1 . . . . . . . . 5299 1 1771 . 1 1 168 168 THR HG21 H 1 1.160 0.03 . 1 . . . . . . . . 5299 1 1772 . 1 1 168 168 THR HG22 H 1 1.160 0.03 . 1 . . . . . . . . 5299 1 1773 . 1 1 168 168 THR HG23 H 1 1.160 0.03 . 1 . . . . . . . . 5299 1 1774 . 1 1 168 168 THR C C 13 174.880 0.12 . 1 . . . . . . . . 5299 1 1775 . 1 1 169 169 ASN N N 15 120.386 0.15 . 1 . . . . . . . . 5299 1 1776 . 1 1 169 169 ASN H H 1 8.392 0.03 . 1 . . . . . . . . 5299 1 1777 . 1 1 169 169 ASN CA C 13 53.564 0.12 . 1 . . . . . . . . 5299 1 1778 . 1 1 169 169 ASN HA H 1 4.050 0.03 . 1 . . . . . . . . 5299 1 1779 . 1 1 169 169 ASN CB C 13 38.152 0.12 . 1 . . . . . . . . 5299 1 1780 . 1 1 169 169 ASN HB2 H 1 2.710 0.03 . 2 . . . . . . . . 5299 1 1781 . 1 1 169 169 ASN HB3 H 1 2.890 0.03 . 2 . . . . . . . . 5299 1 1782 . 1 1 169 169 ASN ND2 N 15 114.300 0.15 . 1 . . . . . . . . 5299 1 1783 . 1 1 169 169 ASN HD22 H 1 6.900 0.03 . 2 . . . . . . . . 5299 1 1784 . 1 1 169 169 ASN HD21 H 1 7.570 0.03 . 2 . . . . . . . . 5299 1 1785 . 1 1 169 169 ASN C C 13 173.580 0.12 . 1 . . . . . . . . 5299 1 1786 . 1 1 170 170 SER N N 15 114.014 0.15 . 1 . . . . . . . . 5299 1 1787 . 1 1 170 170 SER H H 1 7.981 0.03 . 1 . . . . . . . . 5299 1 1788 . 1 1 170 170 SER CA C 13 56.766 0.12 . 1 . . . . . . . . 5299 1 1789 . 1 1 170 170 SER HA H 1 5.090 0.03 . 1 . . . . . . . . 5299 1 1790 . 1 1 170 170 SER CB C 13 67.404 0.12 . 1 . . . . . . . . 5299 1 1791 . 1 1 170 170 SER HB2 H 1 3.580 0.03 . 2 . . . . . . . . 5299 1 1792 . 1 1 170 170 SER C C 13 174.650 0.12 . 1 . . . . . . . . 5299 1 1793 . 1 1 171 171 GLU N N 15 120.350 0.15 . 1 . . . . . . . . 5299 1 1794 . 1 1 171 171 GLU H H 1 7.942 0.03 . 1 . . . . . . . . 5299 1 1795 . 1 1 171 171 GLU CA C 13 54.790 0.12 . 1 . . . . . . . . 5299 1 1796 . 1 1 171 171 GLU HA H 1 4.370 0.03 . 1 . . . . . . . . 5299 1 1797 . 1 1 171 171 GLU CB C 13 31.950 0.12 . 1 . . . . . . . . 5299 1 1798 . 1 1 171 171 GLU HB2 H 1 2.020 0.03 . 2 . . . . . . . . 5299 1 1799 . 1 1 171 171 GLU CG C 13 36.180 0.12 . 1 . . . . . . . . 5299 1 1800 . 1 1 171 171 GLU C C 13 174.580 0.12 . 1 . . . . . . . . 5299 1 1801 . 1 1 172 172 GLU N N 15 119.267 0.15 . 1 . . . . . . . . 5299 1 1802 . 1 1 172 172 GLU H H 1 8.198 0.03 . 1 . . . . . . . . 5299 1 1803 . 1 1 172 172 GLU CA C 13 54.950 0.12 . 1 . . . . . . . . 5299 1 1804 . 1 1 172 172 GLU HA H 1 5.130 0.03 . 1 . . . . . . . . 5299 1 1805 . 1 1 172 172 GLU CB C 13 32.960 0.12 . 1 . . . . . . . . 5299 1 1806 . 1 1 172 172 GLU HB2 H 1 1.940 0.03 . 2 . . . . . . . . 5299 1 1807 . 1 1 172 172 GLU CG C 13 36.520 0.12 . 1 . . . . . . . . 5299 1 1808 . 1 1 172 172 GLU C C 13 176.630 0.12 . 1 . . . . . . . . 5299 1 1809 . 1 1 173 173 VAL N N 15 124.014 0.15 . 1 . . . . . . . . 5299 1 1810 . 1 1 173 173 VAL H H 1 9.246 0.03 . 1 . . . . . . . . 5299 1 1811 . 1 1 173 173 VAL CA C 13 61.650 0.12 . 1 . . . . . . . . 5299 1 1812 . 1 1 173 173 VAL HA H 1 5.220 0.03 . 1 . . . . . . . . 5299 1 1813 . 1 1 173 173 VAL CB C 13 33.800 0.12 . 1 . . . . . . . . 5299 1 1814 . 1 1 173 173 VAL CG2 C 13 21.430 0.12 . 1 . . . . . . . . 5299 1 1815 . 1 1 173 173 VAL HG21 H 1 0.880 0.03 . 1 . . . . . . . . 5299 1 1816 . 1 1 173 173 VAL HG22 H 1 0.880 0.03 . 1 . . . . . . . . 5299 1 1817 . 1 1 173 173 VAL HG23 H 1 0.880 0.03 . 1 . . . . . . . . 5299 1 1818 . 1 1 173 173 VAL C C 13 175.390 0.12 . 1 . . . . . . . . 5299 1 1819 . 1 1 174 174 ARG N N 15 126.897 0.15 . 1 . . . . . . . . 5299 1 1820 . 1 1 174 174 ARG H H 1 8.654 0.03 . 1 . . . . . . . . 5299 1 1821 . 1 1 174 174 ARG CA C 13 56.380 0.12 . 1 . . . . . . . . 5299 1 1822 . 1 1 174 174 ARG HA H 1 4.370 0.03 . 1 . . . . . . . . 5299 1 1823 . 1 1 174 174 ARG CB C 13 29.700 0.12 . 1 . . . . . . . . 5299 1 1824 . 1 1 174 174 ARG HB2 H 1 1.750 0.03 . 2 . . . . . . . . 5299 1 1825 . 1 1 174 174 ARG CG C 13 27.310 0.12 . 1 . . . . . . . . 5299 1 1826 . 1 1 174 174 ARG CD C 13 43.220 0.12 . 1 . . . . . . . . 5299 1 1827 . 1 1 174 174 ARG HD2 H 1 3.230 0.03 . 2 . . . . . . . . 5299 1 1828 . 1 1 174 174 ARG C C 13 176.450 0.12 . 1 . . . . . . . . 5299 1 1829 . 1 1 175 175 LEU N N 15 126.173 0.15 . 1 . . . . . . . . 5299 1 1830 . 1 1 175 175 LEU H H 1 8.419 0.03 . 1 . . . . . . . . 5299 1 1831 . 1 1 175 175 LEU CA C 13 53.820 0.12 . 1 . . . . . . . . 5299 1 1832 . 1 1 175 175 LEU CB C 13 40.740 0.12 . 1 . . . . . . . . 5299 1 1833 . 1 1 175 175 LEU CD1 C 13 26.000 0.12 . 1 . . . . . . . . 5299 1 1834 . 1 1 175 175 LEU HD11 H 1 1.000 0.03 . 1 . . . . . . . . 5299 1 1835 . 1 1 175 175 LEU HD12 H 1 1.000 0.03 . 1 . . . . . . . . 5299 1 1836 . 1 1 175 175 LEU HD13 H 1 1.000 0.03 . 1 . . . . . . . . 5299 1 1837 . 1 1 175 175 LEU C C 13 177.290 0.12 . 1 . . . . . . . . 5299 1 1838 . 1 1 176 176 ARG N N 15 119.662 0.15 . 1 . . . . . . . . 5299 1 1839 . 1 1 176 176 ARG H H 1 8.439 0.03 . 1 . . . . . . . . 5299 1 1840 . 1 1 176 176 ARG CA C 13 56.765 0.12 . 1 . . . . . . . . 5299 1 1841 . 1 1 176 176 ARG HA H 1 4.510 0.03 . 1 . . . . . . . . 5299 1 1842 . 1 1 176 176 ARG CB C 13 31.829 0.12 . 1 . . . . . . . . 5299 1 1843 . 1 1 176 176 ARG HB2 H 1 1.800 0.03 . 2 . . . . . . . . 5299 1 1844 . 1 1 176 176 ARG CG C 13 28.310 0.12 . 1 . . . . . . . . 5299 1 1845 . 1 1 176 176 ARG C C 13 175.580 0.12 . 1 . . . . . . . . 5299 1 1846 . 1 1 177 177 SER N N 15 113.869 0.15 . 1 . . . . . . . . 5299 1 1847 . 1 1 177 177 SER H H 1 8.269 0.03 . 1 . . . . . . . . 5299 1 1848 . 1 1 177 177 SER CA C 13 57.399 0.12 . 1 . . . . . . . . 5299 1 1849 . 1 1 177 177 SER HA H 1 5.390 0.03 . 1 . . . . . . . . 5299 1 1850 . 1 1 177 177 SER CB C 13 66.096 0.12 . 1 . . . . . . . . 5299 1 1851 . 1 1 177 177 SER HB2 H 1 3.690 0.03 . 2 . . . . . . . . 5299 1 1852 . 1 1 177 177 SER C C 13 174.600 0.12 . 1 . . . . . . . . 5299 1 1853 . 1 1 178 178 PHE N N 15 115.519 0.15 . 1 . . . . . . . . 5299 1 1854 . 1 1 178 178 PHE H H 1 8.223 0.03 . 1 . . . . . . . . 5299 1 1855 . 1 1 178 178 PHE CA C 13 56.375 0.12 . 1 . . . . . . . . 5299 1 1856 . 1 1 178 178 PHE HA H 1 5.180 0.03 . 1 . . . . . . . . 5299 1 1857 . 1 1 178 178 PHE CB C 13 42.783 0.12 . 1 . . . . . . . . 5299 1 1858 . 1 1 178 178 PHE HD1 H 1 6.710 0.03 . 1 . . . . . . . . 5299 1 1859 . 1 1 178 178 PHE CE1 C 13 130.300 0.12 . 1 . . . . . . . . 5299 1 1860 . 1 1 178 178 PHE HE1 H 1 6.980 0.03 . 1 . . . . . . . . 5299 1 1861 . 1 1 178 178 PHE HZ H 1 7.100 0.03 . 1 . . . . . . . . 5299 1 1862 . 1 1 178 178 PHE CE2 C 13 130.300 0.12 . 1 . . . . . . . . 5299 1 1863 . 1 1 178 178 PHE HE2 H 1 6.980 0.03 . 1 . . . . . . . . 5299 1 1864 . 1 1 178 178 PHE HD2 H 1 6.710 0.03 . 1 . . . . . . . . 5299 1 1865 . 1 1 178 178 PHE C C 13 173.110 0.12 . 1 . . . . . . . . 5299 1 1866 . 1 1 179 179 THR N N 15 111.619 0.15 . 1 . . . . . . . . 5299 1 1867 . 1 1 179 179 THR H H 1 8.833 0.03 . 1 . . . . . . . . 5299 1 1868 . 1 1 179 179 THR CA C 13 58.047 0.12 . 1 . . . . . . . . 5299 1 1869 . 1 1 179 179 THR HA H 1 5.600 0.03 . 1 . . . . . . . . 5299 1 1870 . 1 1 179 179 THR CB C 13 70.272 0.12 . 1 . . . . . . . . 5299 1 1871 . 1 1 179 179 THR HB H 1 4.000 0.03 . 1 . . . . . . . . 5299 1 1872 . 1 1 179 179 THR CG2 C 13 21.380 0.12 . 1 . . . . . . . . 5299 1 1873 . 1 1 179 179 THR HG21 H 1 1.180 0.03 . 1 . . . . . . . . 5299 1 1874 . 1 1 179 179 THR HG22 H 1 1.180 0.03 . 1 . . . . . . . . 5299 1 1875 . 1 1 179 179 THR HG23 H 1 1.180 0.03 . 1 . . . . . . . . 5299 1 1876 . 1 1 179 179 THR C C 13 174.620 0.12 . 1 . . . . . . . . 5299 1 1877 . 1 1 180 180 THR N N 15 116.844 0.15 . 1 . . . . . . . . 5299 1 1878 . 1 1 180 180 THR H H 1 8.994 0.03 . 1 . . . . . . . . 5299 1 1879 . 1 1 180 180 THR CA C 13 61.137 0.12 . 1 . . . . . . . . 5299 1 1880 . 1 1 180 180 THR HA H 1 5.450 0.03 . 1 . . . . . . . . 5299 1 1881 . 1 1 180 180 THR CB C 13 70.732 0.12 . 1 . . . . . . . . 5299 1 1882 . 1 1 180 180 THR CG2 C 13 23.080 0.12 . 1 . . . . . . . . 5299 1 1883 . 1 1 180 180 THR HG21 H 1 1.020 0.03 . 1 . . . . . . . . 5299 1 1884 . 1 1 180 180 THR HG22 H 1 1.020 0.03 . 1 . . . . . . . . 5299 1 1885 . 1 1 180 180 THR HG23 H 1 1.020 0.03 . 1 . . . . . . . . 5299 1 1886 . 1 1 180 180 THR C C 13 175.170 0.12 . 1 . . . . . . . . 5299 1 1887 . 1 1 181 181 THR N N 15 115.129 0.15 . 1 . . . . . . . . 5299 1 1888 . 1 1 181 181 THR H H 1 8.948 0.03 . 1 . . . . . . . . 5299 1 1889 . 1 1 181 181 THR CA C 13 67.369 0.12 . 1 . . . . . . . . 5299 1 1890 . 1 1 181 181 THR HA H 1 4.380 0.03 . 1 . . . . . . . . 5299 1 1891 . 1 1 181 181 THR CB C 13 67.927 0.12 . 1 . . . . . . . . 5299 1 1892 . 1 1 181 181 THR HB H 1 4.020 0.03 . 1 . . . . . . . . 5299 1 1893 . 1 1 181 181 THR CG2 C 13 23.580 0.12 . 1 . . . . . . . . 5299 1 1894 . 1 1 181 181 THR HG21 H 1 1.240 0.03 . 1 . . . . . . . . 5299 1 1895 . 1 1 181 181 THR HG22 H 1 1.240 0.03 . 1 . . . . . . . . 5299 1 1896 . 1 1 181 181 THR HG23 H 1 1.240 0.03 . 1 . . . . . . . . 5299 1 1897 . 1 1 181 181 THR C C 13 173.620 0.12 . 1 . . . . . . . . 5299 1 1898 . 1 1 182 182 ILE N N 15 120.609 0.15 . 1 . . . . . . . . 5299 1 1899 . 1 1 182 182 ILE H H 1 7.573 0.03 . 1 . . . . . . . . 5299 1 1900 . 1 1 182 182 ILE CA C 13 63.286 0.12 . 1 . . . . . . . . 5299 1 1901 . 1 1 182 182 ILE HA H 1 4.140 0.03 . 1 . . . . . . . . 5299 1 1902 . 1 1 182 182 ILE CB C 13 39.169 0.12 . 1 . . . . . . . . 5299 1 1903 . 1 1 182 182 ILE CD1 C 13 13.720 0.12 . 1 . . . . . . . . 5299 1 1904 . 1 1 182 182 ILE HD11 H 1 0.680 0.03 . 1 . . . . . . . . 5299 1 1905 . 1 1 182 182 ILE HD12 H 1 0.680 0.03 . 1 . . . . . . . . 5299 1 1906 . 1 1 182 182 ILE HD13 H 1 0.680 0.03 . 1 . . . . . . . . 5299 1 1907 . 1 1 182 182 ILE CG2 C 13 17.600 0.12 . 1 . . . . . . . . 5299 1 1908 . 1 1 182 182 ILE HG21 H 1 0.430 0.03 . 1 . . . . . . . . 5299 1 1909 . 1 1 182 182 ILE HG22 H 1 0.430 0.03 . 1 . . . . . . . . 5299 1 1910 . 1 1 182 182 ILE HG23 H 1 0.430 0.03 . 1 . . . . . . . . 5299 1 1911 . 1 1 182 182 ILE C C 13 175.240 0.12 . 1 . . . . . . . . 5299 1 1912 . 1 1 183 183 HIS N N 15 116.259 0.15 . 1 . . . . . . . . 5299 1 1913 . 1 1 183 183 HIS H H 1 7.670 0.03 . 1 . . . . . . . . 5299 1 1914 . 1 1 183 183 HIS CA C 13 56.908 0.12 . 1 . . . . . . . . 5299 1 1915 . 1 1 183 183 HIS HA H 1 5.200 0.03 . 1 . . . . . . . . 5299 1 1916 . 1 1 183 183 HIS CB C 13 34.194 0.12 . 1 . . . . . . . . 5299 1 1917 . 1 1 183 183 HIS CD2 C 13 117.680 0.12 . 1 . . . . . . . . 5299 1 1918 . 1 1 183 183 HIS HD2 H 1 7.160 0.03 . 1 . . . . . . . . 5299 1 1919 . 1 1 183 183 HIS HE2 H 1 11.390 0.03 . 1 . . . . . . . . 5299 1 1920 . 1 1 183 183 HIS CE1 C 13 138.740 0.12 . 1 . . . . . . . . 5299 1 1921 . 1 1 183 183 HIS HE1 H 1 8.120 0.03 . 1 . . . . . . . . 5299 1 1922 . 1 1 183 183 HIS C C 13 173.470 0.12 . 1 . . . . . . . . 5299 1 1923 . 1 1 184 184 LYS N N 15 124.625 0.15 . 1 . . . . . . . . 5299 1 1924 . 1 1 184 184 LYS H H 1 8.948 0.03 . 1 . . . . . . . . 5299 1 1925 . 1 1 184 184 LYS CA C 13 54.477 0.12 . 1 . . . . . . . . 5299 1 1926 . 1 1 184 184 LYS HA H 1 4.950 0.03 . 1 . . . . . . . . 5299 1 1927 . 1 1 184 184 LYS CB C 13 34.912 0.12 . 1 . . . . . . . . 5299 1 1928 . 1 1 184 184 LYS HB2 H 1 1.570 0.03 . 2 . . . . . . . . 5299 1 1929 . 1 1 184 184 LYS C C 13 175.010 0.12 . 1 . . . . . . . . 5299 1 1930 . 1 1 185 185 VAL N N 15 125.379 0.15 . 1 . . . . . . . . 5299 1 1931 . 1 1 185 185 VAL H H 1 8.348 0.03 . 1 . . . . . . . . 5299 1 1932 . 1 1 185 185 VAL CA C 13 60.627 0.12 . 1 . . . . . . . . 5299 1 1933 . 1 1 185 185 VAL HA H 1 4.980 0.03 . 1 . . . . . . . . 5299 1 1934 . 1 1 185 185 VAL CB C 13 32.864 0.12 . 1 . . . . . . . . 5299 1 1935 . 1 1 185 185 VAL CG2 C 13 22.350 0.12 . 1 . . . . . . . . 5299 1 1936 . 1 1 185 185 VAL HG21 H 1 0.470 0.03 . 1 . . . . . . . . 5299 1 1937 . 1 1 185 185 VAL HG22 H 1 0.470 0.03 . 1 . . . . . . . . 5299 1 1938 . 1 1 185 185 VAL HG23 H 1 0.470 0.03 . 1 . . . . . . . . 5299 1 1939 . 1 1 185 185 VAL CG1 C 13 21.730 0.12 . 1 . . . . . . . . 5299 1 1940 . 1 1 185 185 VAL HG11 H 1 0.990 0.03 . 1 . . . . . . . . 5299 1 1941 . 1 1 185 185 VAL HG12 H 1 0.990 0.03 . 1 . . . . . . . . 5299 1 1942 . 1 1 185 185 VAL HG13 H 1 0.990 0.03 . 1 . . . . . . . . 5299 1 1943 . 1 1 185 185 VAL C C 13 176.060 0.12 . 1 . . . . . . . . 5299 1 1944 . 1 1 186 186 ASN N N 15 127.315 0.15 . 1 . . . . . . . . 5299 1 1945 . 1 1 186 186 ASN H H 1 9.282 0.03 . 1 . . . . . . . . 5299 1 1946 . 1 1 186 186 ASN CA C 13 51.974 0.12 . 1 . . . . . . . . 5299 1 1947 . 1 1 186 186 ASN HA H 1 5.120 0.03 . 1 . . . . . . . . 5299 1 1948 . 1 1 186 186 ASN CB C 13 41.100 0.12 . 1 . . . . . . . . 5299 1 1949 . 1 1 186 186 ASN HB2 H 1 2.800 0.03 . 2 . . . . . . . . 5299 1 1950 . 1 1 186 186 ASN HB3 H 1 3.010 0.03 . 2 . . . . . . . . 5299 1 1951 . 1 1 186 186 ASN ND2 N 15 114.530 0.15 . 1 . . . . . . . . 5299 1 1952 . 1 1 186 186 ASN HD22 H 1 7.170 0.03 . 2 . . . . . . . . 5299 1 1953 . 1 1 186 186 ASN HD21 H 1 7.500 0.03 . 2 . . . . . . . . 5299 1 1954 . 1 1 186 186 ASN C C 13 174.880 0.12 . 1 . . . . . . . . 5299 1 1955 . 1 1 187 187 SER N N 15 116.522 0.15 . 1 . . . . . . . . 5299 1 1956 . 1 1 187 187 SER H H 1 8.201 0.03 . 1 . . . . . . . . 5299 1 1957 . 1 1 187 187 SER CA C 13 58.930 0.12 . 1 . . . . . . . . 5299 1 1958 . 1 1 187 187 SER HA H 1 5.410 0.03 . 1 . . . . . . . . 5299 1 1959 . 1 1 187 187 SER CB C 13 67.570 0.12 . 1 . . . . . . . . 5299 1 1960 . 1 1 187 187 SER HB2 H 1 3.850 0.03 . 2 . . . . . . . . 5299 1 1961 . 1 1 187 187 SER C C 13 173.560 0.12 . 1 . . . . . . . . 5299 1 1962 . 1 1 188 188 MET N N 15 121.683 0.15 . 1 . . . . . . . . 5299 1 1963 . 1 1 188 188 MET H H 1 8.463 0.03 . 1 . . . . . . . . 5299 1 1964 . 1 1 188 188 MET CA C 13 55.108 0.12 . 1 . . . . . . . . 5299 1 1965 . 1 1 188 188 MET HA H 1 4.950 0.03 . 1 . . . . . . . . 5299 1 1966 . 1 1 188 188 MET CB C 13 35.982 0.12 . 1 . . . . . . . . 5299 1 1967 . 1 1 188 188 MET HB2 H 1 2.160 0.03 . 2 . . . . . . . . 5299 1 1968 . 1 1 188 188 MET CG C 13 30.610 0.12 . 1 . . . . . . . . 5299 1 1969 . 1 1 188 188 MET HG2 H 1 2.320 0.03 . 2 . . . . . . . . 5299 1 1970 . 1 1 188 188 MET HG3 H 1 2.520 0.03 . 2 . . . . . . . . 5299 1 1971 . 1 1 188 188 MET CE C 13 17.640 0.12 . 1 . . . . . . . . 5299 1 1972 . 1 1 188 188 MET HE1 H 1 1.890 0.03 . 1 . . . . . . . . 5299 1 1973 . 1 1 188 188 MET HE2 H 1 1.890 0.03 . 1 . . . . . . . . 5299 1 1974 . 1 1 188 188 MET HE3 H 1 1.890 0.03 . 1 . . . . . . . . 5299 1 1975 . 1 1 188 188 MET C C 13 172.720 0.12 . 1 . . . . . . . . 5299 1 1976 . 1 1 189 189 VAL N N 15 119.805 0.15 . 1 . . . . . . . . 5299 1 1977 . 1 1 189 189 VAL H H 1 8.652 0.03 . 1 . . . . . . . . 5299 1 1978 . 1 1 189 189 VAL CA C 13 59.138 0.12 . 1 . . . . . . . . 5299 1 1979 . 1 1 189 189 VAL HA H 1 4.650 0.03 . 1 . . . . . . . . 5299 1 1980 . 1 1 189 189 VAL CB C 13 33.649 0.12 . 1 . . . . . . . . 5299 1 1981 . 1 1 189 189 VAL HB H 1 0.540 0.03 . 1 . . . . . . . . 5299 1 1982 . 1 1 189 189 VAL CG2 C 13 21.210 0.12 . 1 . . . . . . . . 5299 1 1983 . 1 1 189 189 VAL HG21 H 1 -0.330 0.03 . 1 . . . . . . . . 5299 1 1984 . 1 1 189 189 VAL HG22 H 1 -0.330 0.03 . 1 . . . . . . . . 5299 1 1985 . 1 1 189 189 VAL HG23 H 1 -0.330 0.03 . 1 . . . . . . . . 5299 1 1986 . 1 1 189 189 VAL CG1 C 13 19.440 0.12 . 1 . . . . . . . . 5299 1 1987 . 1 1 189 189 VAL HG11 H 1 0.520 0.03 . 1 . . . . . . . . 5299 1 1988 . 1 1 189 189 VAL HG12 H 1 0.520 0.03 . 1 . . . . . . . . 5299 1 1989 . 1 1 189 189 VAL HG13 H 1 0.520 0.03 . 1 . . . . . . . . 5299 1 1990 . 1 1 190 190 ALA N N 15 128.633 0.15 . 1 . . . . . . . . 5299 1 1991 . 1 1 190 190 ALA H H 1 8.382 0.03 . 1 . . . . . . . . 5299 1 1992 . 1 1 190 190 ALA CA C 13 49.177 0.12 . 1 . . . . . . . . 5299 1 1993 . 1 1 190 190 ALA HA H 1 5.640 0.03 . 1 . . . . . . . . 5299 1 1994 . 1 1 190 190 ALA CB C 13 23.490 0.12 . 1 . . . . . . . . 5299 1 1995 . 1 1 190 190 ALA HB1 H 1 1.320 0.03 . 1 . . . . . . . . 5299 1 1996 . 1 1 190 190 ALA HB2 H 1 1.320 0.03 . 1 . . . . . . . . 5299 1 1997 . 1 1 190 190 ALA HB3 H 1 1.320 0.03 . 1 . . . . . . . . 5299 1 1998 . 1 1 190 190 ALA C C 13 176.030 0.12 . 1 . . . . . . . . 5299 1 1999 . 1 1 191 191 TYR N N 15 116.298 0.15 . 1 . . . . . . . . 5299 1 2000 . 1 1 191 191 TYR H H 1 8.387 0.03 . 1 . . . . . . . . 5299 1 2001 . 1 1 191 191 TYR CA C 13 54.923 0.12 . 1 . . . . . . . . 5299 1 2002 . 1 1 191 191 TYR HA H 1 5.220 0.03 . 1 . . . . . . . . 5299 1 2003 . 1 1 191 191 TYR CB C 13 40.826 0.12 . 1 . . . . . . . . 5299 1 2004 . 1 1 191 191 TYR HD1 H 1 6.780 0.03 . 1 . . . . . . . . 5299 1 2005 . 1 1 191 191 TYR HE1 H 1 6.620 0.03 . 1 . . . . . . . . 5299 1 2006 . 1 1 191 191 TYR HE2 H 1 6.620 0.03 . 1 . . . . . . . . 5299 1 2007 . 1 1 191 191 TYR HD2 H 1 6.780 0.03 . 1 . . . . . . . . 5299 1 2008 . 1 1 191 191 TYR C C 13 173.700 0.12 . 1 . . . . . . . . 5299 1 2009 . 1 1 192 192 LYS N N 15 120.812 0.15 . 1 . . . . . . . . 5299 1 2010 . 1 1 192 192 LYS H H 1 7.865 0.03 . 1 . . . . . . . . 5299 1 2011 . 1 1 192 192 LYS CA C 13 56.326 0.12 . 1 . . . . . . . . 5299 1 2012 . 1 1 192 192 LYS HA H 1 4.290 0.03 . 1 . . . . . . . . 5299 1 2013 . 1 1 192 192 LYS CB C 13 33.111 0.12 . 1 . . . . . . . . 5299 1 2014 . 1 1 192 192 LYS HB2 H 1 2.000 0.03 . 2 . . . . . . . . 5299 1 2015 . 1 1 192 192 LYS HB3 H 1 1.870 0.03 . 2 . . . . . . . . 5299 1 2016 . 1 1 192 192 LYS HG2 H 1 1.200 0.03 . 2 . . . . . . . . 5299 1 2017 . 1 1 192 192 LYS C C 13 176.650 0.12 . 1 . . . . . . . . 5299 1 2018 . 1 1 193 193 ILE N N 15 126.113 0.15 . 1 . . . . . . . . 5299 1 2019 . 1 1 193 193 ILE H H 1 8.108 0.03 . 1 . . . . . . . . 5299 1 2020 . 1 1 193 193 ILE CA C 13 59.334 0.12 . 1 . . . . . . . . 5299 1 2021 . 1 1 193 193 ILE HA H 1 4.420 0.03 . 1 . . . . . . . . 5299 1 2022 . 1 1 193 193 ILE CB C 13 38.342 0.12 . 1 . . . . . . . . 5299 1 2023 . 1 1 193 193 ILE HB H 1 1.750 0.03 . 1 . . . . . . . . 5299 1 2024 . 1 1 193 193 ILE CG1 C 13 27.900 0.12 . 1 . . . . . . . . 5299 1 2025 . 1 1 193 193 ILE HG12 H 1 1.390 0.03 . 2 . . . . . . . . 5299 1 2026 . 1 1 193 193 ILE HG13 H 1 0.770 0.03 . 2 . . . . . . . . 5299 1 2027 . 1 1 193 193 ILE CD1 C 13 13.770 0.12 . 1 . . . . . . . . 5299 1 2028 . 1 1 193 193 ILE HD11 H 1 0.770 0.03 . 1 . . . . . . . . 5299 1 2029 . 1 1 193 193 ILE HD12 H 1 0.770 0.03 . 1 . . . . . . . . 5299 1 2030 . 1 1 193 193 ILE HD13 H 1 0.770 0.03 . 1 . . . . . . . . 5299 1 2031 . 1 1 193 193 ILE CG2 C 13 17.910 0.12 . 1 . . . . . . . . 5299 1 2032 . 1 1 193 193 ILE HG21 H 1 0.980 0.03 . 1 . . . . . . . . 5299 1 2033 . 1 1 193 193 ILE HG22 H 1 0.980 0.03 . 1 . . . . . . . . 5299 1 2034 . 1 1 193 193 ILE HG23 H 1 0.980 0.03 . 1 . . . . . . . . 5299 1 2035 . 1 1 194 194 PRO CA C 13 63.026 0.12 . 1 . . . . . . . . 5299 1 2036 . 1 1 194 194 PRO HA H 1 4.450 0.03 . 1 . . . . . . . . 5299 1 2037 . 1 1 194 194 PRO CB C 13 31.750 0.12 . 1 . . . . . . . . 5299 1 2038 . 1 1 194 194 PRO HB2 H 1 1.970 0.03 . 2 . . . . . . . . 5299 1 2039 . 1 1 194 194 PRO HB3 H 1 2.350 0.03 . 2 . . . . . . . . 5299 1 2040 . 1 1 194 194 PRO CG C 13 27.640 0.12 . 1 . . . . . . . . 5299 1 2041 . 1 1 194 194 PRO HG2 H 1 2.170 0.03 . 2 . . . . . . . . 5299 1 2042 . 1 1 194 194 PRO HG3 H 1 2.070 0.03 . 2 . . . . . . . . 5299 1 2043 . 1 1 194 194 PRO CD C 13 51.470 0.12 . 1 . . . . . . . . 5299 1 2044 . 1 1 194 194 PRO HD2 H 1 3.810 0.03 . 2 . . . . . . . . 5299 1 2045 . 1 1 194 194 PRO HD3 H 1 4.130 0.03 . 2 . . . . . . . . 5299 1 2046 . 1 1 194 194 PRO C C 13 177.390 0.12 . 1 . . . . . . . . 5299 1 2047 . 1 1 195 195 VAL N N 15 120.322 0.15 . 1 . . . . . . . . 5299 1 2048 . 1 1 195 195 VAL H H 1 8.197 0.03 . 1 . . . . . . . . 5299 1 2049 . 1 1 195 195 VAL CA C 13 62.058 0.12 . 1 . . . . . . . . 5299 1 2050 . 1 1 195 195 VAL HA H 1 4.110 0.03 . 1 . . . . . . . . 5299 1 2051 . 1 1 195 195 VAL CB C 13 32.597 0.12 . 1 . . . . . . . . 5299 1 2052 . 1 1 195 195 VAL HB H 1 2.050 0.03 . 1 . . . . . . . . 5299 1 2053 . 1 1 195 195 VAL CG2 C 13 20.900 0.12 . 1 . . . . . . . . 5299 1 2054 . 1 1 195 195 VAL HG21 H 1 0.910 0.03 . 1 . . . . . . . . 5299 1 2055 . 1 1 195 195 VAL HG22 H 1 0.910 0.03 . 1 . . . . . . . . 5299 1 2056 . 1 1 195 195 VAL HG23 H 1 0.910 0.03 . 1 . . . . . . . . 5299 1 2057 . 1 1 195 195 VAL CG1 C 13 20.900 0.12 . 1 . . . . . . . . 5299 1 2058 . 1 1 195 195 VAL HG11 H 1 0.910 0.03 . 1 . . . . . . . . 5299 1 2059 . 1 1 195 195 VAL HG12 H 1 0.910 0.03 . 1 . . . . . . . . 5299 1 2060 . 1 1 195 195 VAL HG13 H 1 0.910 0.03 . 1 . . . . . . . . 5299 1 2061 . 1 1 195 195 VAL C C 13 176.480 0.12 . 1 . . . . . . . . 5299 1 2062 . 1 1 196 196 ASN N N 15 122.829 0.15 . 1 . . . . . . . . 5299 1 2063 . 1 1 196 196 ASN H H 1 8.467 0.03 . 1 . . . . . . . . 5299 1 2064 . 1 1 196 196 ASN CA C 13 53.277 0.12 . 1 . . . . . . . . 5299 1 2065 . 1 1 196 196 ASN HA H 1 4.810 0.03 . 1 . . . . . . . . 5299 1 2066 . 1 1 196 196 ASN CB C 13 39.474 0.12 . 1 . . . . . . . . 5299 1 2067 . 1 1 196 196 ASN HB2 H 1 2.670 0.03 . 2 . . . . . . . . 5299 1 2068 . 1 1 196 196 ASN HB3 H 1 2.840 0.03 . 2 . . . . . . . . 5299 1 2069 . 1 1 196 196 ASN C C 13 174.490 0.12 . 1 . . . . . . . . 5299 1 2070 . 1 1 197 197 ASP N N 15 126.531 0.15 . 1 . . . . . . . . 5299 1 2071 . 1 1 197 197 ASP H H 1 7.931 0.03 . 1 . . . . . . . . 5299 1 2072 . 1 1 197 197 ASP CA C 13 55.946 0.12 . 1 . . . . . . . . 5299 1 2073 . 1 1 197 197 ASP HA H 1 4.820 0.03 . 1 . . . . . . . . 5299 1 2074 . 1 1 197 197 ASP CB C 13 42.172 0.12 . 1 . . . . . . . . 5299 1 2075 . 1 1 197 197 ASP HB2 H 1 2.590 0.03 . 2 . . . . . . . . 5299 1 stop_ save_ save_chemical_shift_set_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_set_2 _Assigned_chem_shift_list.Entry_ID 5299 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _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 . . 5 $sample_5 . 5299 2 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 . 2 2 1 1 SER HA H 1 4.470 0.03 . 1 . . . . . . . . 5299 2 2 . 2 2 1 1 SER CB C 13 64.200 0.12 . 1 . . . . . . . . 5299 2 3 . 2 2 1 1 SER HB2 H 1 3.810 0.03 . 2 . . . . . . . . 5299 2 4 . 2 2 1 1 SER HB3 H 1 3.910 0.03 . 2 . . . . . . . . 5299 2 5 . 2 2 2 2 TRP N N 15 121.050 0.15 . 1 . . . . . . . . 5299 2 6 . 2 2 2 2 TRP H H 1 8.290 0.03 . 1 . . . . . . . . 5299 2 7 . 2 2 2 2 TRP CA C 13 56.840 0.12 . 1 . . . . . . . . 5299 2 8 . 2 2 2 2 TRP HA H 1 5.530 0.03 . 1 . . . . . . . . 5299 2 9 . 2 2 2 2 TRP HB2 H 1 3.610 0.03 . 2 . . . . . . . . 5299 2 10 . 2 2 2 2 TRP HB3 H 1 3.010 0.03 . 2 . . . . . . . . 5299 2 11 . 2 2 2 2 TRP CD1 C 13 126.500 0.12 . 1 . . . . . . . . 5299 2 12 . 2 2 2 2 TRP HD1 H 1 7.430 0.03 . 1 . . . . . . . . 5299 2 13 . 2 2 2 2 TRP NE1 N 15 130.890 0.15 . 1 . . . . . . . . 5299 2 14 . 2 2 2 2 TRP HE1 H 1 10.210 0.03 . 1 . . . . . . . . 5299 2 15 . 2 2 2 2 TRP CZ2 C 13 114.560 0.12 . 1 . . . . . . . . 5299 2 16 . 2 2 2 2 TRP HZ2 H 1 7.170 0.03 . 1 . . . . . . . . 5299 2 17 . 2 2 2 2 TRP CH2 C 13 121.320 0.12 . 1 . . . . . . . . 5299 2 18 . 2 2 2 2 TRP HH2 H 1 7.530 0.03 . 1 . . . . . . . . 5299 2 19 . 2 2 2 2 TRP CZ3 C 13 118.590 0.12 . 1 . . . . . . . . 5299 2 20 . 2 2 2 2 TRP HZ3 H 1 6.710 0.03 . 1 . . . . . . . . 5299 2 21 . 2 2 2 2 TRP CE3 C 13 124.680 0.12 . 1 . . . . . . . . 5299 2 22 . 2 2 2 2 TRP HE3 H 1 6.980 0.03 . 1 . . . . . . . . 5299 2 23 . 2 2 3 3 TYR N N 15 119.130 0.15 . 1 . . . . . . . . 5299 2 24 . 2 2 3 3 TYR H H 1 9.380 0.03 . 1 . . . . . . . . 5299 2 25 . 2 2 3 3 TYR CA C 13 57.120 0.12 . 1 . . . . . . . . 5299 2 26 . 2 2 3 3 TYR HA H 1 5.570 0.03 . 1 . . . . . . . . 5299 2 27 . 2 2 3 3 TYR HB2 H 1 3.360 0.03 . 2 . . . . . . . . 5299 2 28 . 2 2 3 3 TYR HB3 H 1 2.790 0.03 . 2 . . . . . . . . 5299 2 29 . 2 2 3 3 TYR CD1 C 13 133.310 0.12 . 1 . . . . . . . . 5299 2 30 . 2 2 3 3 TYR HD1 H 1 6.730 0.03 . 1 . . . . . . . . 5299 2 31 . 2 2 3 3 TYR CE1 C 13 118.350 0.12 . 1 . . . . . . . . 5299 2 32 . 2 2 3 3 TYR HE1 H 1 6.620 0.03 . 1 . . . . . . . . 5299 2 33 . 2 2 3 3 TYR CE2 C 13 118.350 0.12 . 1 . . . . . . . . 5299 2 34 . 2 2 3 3 TYR HE2 H 1 6.620 0.03 . 1 . . . . . . . . 5299 2 35 . 2 2 3 3 TYR CD2 C 13 133.310 0.12 . 1 . . . . . . . . 5299 2 36 . 2 2 3 3 TYR HD2 H 1 6.730 0.03 . 1 . . . . . . . . 5299 2 37 . 2 2 4 4 SER N N 15 116.760 0.15 . 1 . . . . . . . . 5299 2 38 . 2 2 4 4 SER H H 1 9.930 0.03 . 1 . . . . . . . . 5299 2 39 . 2 2 4 4 SER CA C 13 56.140 0.12 . 1 . . . . . . . . 5299 2 40 . 2 2 4 4 SER HA H 1 6.090 0.03 . 1 . . . . . . . . 5299 2 41 . 2 2 4 4 SER CB C 13 66.380 0.12 . 1 . . . . . . . . 5299 2 42 . 2 2 4 4 SER HB2 H 1 4.130 0.03 . 2 . . . . . . . . 5299 2 43 . 2 2 4 4 SER HB3 H 1 3.670 0.03 . 2 . . . . . . . . 5299 2 44 . 2 2 5 5 TYR N N 15 126.920 0.15 . 1 . . . . . . . . 5299 2 45 . 2 2 5 5 TYR H H 1 7.960 0.03 . 1 . . . . . . . . 5299 2 46 . 2 2 5 5 TYR CA C 13 52.440 0.12 . 1 . . . . . . . . 5299 2 47 . 2 2 5 5 TYR HA H 1 5.110 0.03 . 1 . . . . . . . . 5299 2 48 . 2 2 5 5 TYR CD1 C 13 132.590 0.12 . 1 . . . . . . . . 5299 2 49 . 2 2 5 5 TYR HD1 H 1 6.180 0.03 . 1 . . . . . . . . 5299 2 50 . 2 2 5 5 TYR CE1 C 13 117.750 0.12 . 1 . . . . . . . . 5299 2 51 . 2 2 5 5 TYR HE1 H 1 6.480 0.03 . 1 . . . . . . . . 5299 2 52 . 2 2 5 5 TYR CE2 C 13 117.750 0.12 . 1 . . . . . . . . 5299 2 53 . 2 2 5 5 TYR HE2 H 1 6.480 0.03 . 1 . . . . . . . . 5299 2 54 . 2 2 5 5 TYR CD2 C 13 132.590 0.12 . 1 . . . . . . . . 5299 2 55 . 2 2 5 5 TYR HD2 H 1 6.180 0.03 . 1 . . . . . . . . 5299 2 56 . 2 2 6 6 PRO HD2 H 1 3.650 0.03 . 2 . . . . . . . . 5299 2 57 . 2 2 8 8 PRO HA H 1 4.390 0.03 . 1 . . . . . . . . 5299 2 58 . 2 2 8 8 PRO HB2 H 1 2.370 0.03 . 2 . . . . . . . . 5299 2 59 . 2 2 8 8 PRO HB3 H 1 1.970 0.03 . 2 . . . . . . . . 5299 2 60 . 2 2 8 8 PRO HD2 H 1 3.060 0.03 . 2 . . . . . . . . 5299 2 61 . 2 2 9 9 GLN N N 15 121.720 0.15 . 1 . . . . . . . . 5299 2 62 . 2 2 9 9 GLN H H 1 8.400 0.03 . 1 . . . . . . . . 5299 2 63 . 2 2 9 9 GLN CA C 13 62.630 0.12 . 1 . . . . . . . . 5299 2 64 . 2 2 9 9 GLN HA H 1 4.270 0.03 . 1 . . . . . . . . 5299 2 65 . 2 2 9 9 GLN HB2 H 1 1.790 0.03 . 2 . . . . . . . . 5299 2 66 . 2 2 9 9 GLN HG2 H 1 2.250 0.03 . 2 . . . . . . . . 5299 2 67 . 2 2 9 9 GLN HG3 H 1 2.000 0.03 . 2 . . . . . . . . 5299 2 68 . 2 2 10 10 ARG N N 15 124.240 0.15 . 1 . . . . . . . . 5299 2 69 . 2 2 10 10 ARG H H 1 8.450 0.03 . 1 . . . . . . . . 5299 2 70 . 2 2 10 10 ARG HD2 H 1 3.050 0.03 . 2 . . . . . . . . 5299 2 stop_ save_