data_50269 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 50269 _Entry.Title ; Fe+2-containing acireductone dioxygenase (Homo sapiens) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2020-05-11 _Entry.Accession_date 2020-05-11 _Entry.Last_release_date 2020-05-11 _Entry.Original_release_date 2020-05-11 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.6.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID 1 _Entry.Generated_software_label $software_1 _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details '1H, 13C and 15N chemical shifts' _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.ORCID _Entry_author.Entry_ID 1 Thomas Pochapsky . C. . 0000-0001-8995-1088 50269 2 Aditi Deshpande . . . . 50269 3 Xinyue Liu . . . . 50269 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Brandeis University' . 50269 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 50269 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 425 50269 '15N chemical shifts' 153 50269 '1H chemical shifts' 989 50269 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 . . 2020-11-13 . original BMRB . 50269 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 50269 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 33135413 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Solution structure of human Fe(II)-bound acireductone dioxygenase and interactions with the regulatory domain of matrix metalloproteinase I (MMP-1) ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full Biochemistry _Citation.Journal_volume 59 _Citation.Journal_issue 44 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1520-4995 _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 4238 _Citation.Page_last 4249 _Citation.Year 2020 _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.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Xinyue Liu X. . . . 50269 1 2 Abigail Garber A. . . . 50269 1 3 Julia Ryan J. . . . 50269 1 4 Aditi Deshpande A. . . . 50269 1 5 Dagmar Ringe D. . . . 50269 1 6 Thomas Pochapsky T. C. . . 50269 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID dioxygenase 50269 1 iron 50269 1 'methionine salvage' 50269 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 50269 _Assembly.ID 1 _Assembly.Name 'acireductone dioxygenase' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 1 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic yes _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details 'Ferrous ion ligated by His 88, His 90, Glu 94 and His 133, two water molecules complete the octahedral ligation.' _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'acireductone dioxygenase' 1 $entity_1 . . yes native no no . . . 50269 1 2 'FE (II) ION' 2 $entity_FE2 . . no native no no . . . 50269 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_asym_ID_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_asym_ID_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 coordination single . 1 . 1 HIS 88 88 NE2 . 2 . 2 FE2 1 1 FE . . . . . . . . . . . . 50269 1 2 coordination single . 1 . 1 HIS 90 90 NE2 . 2 . 2 FE2 1 1 FE . . . . . . . . . . . . 50269 1 3 coordination single . 1 . 1 GLU 94 94 OE1 . 2 . 2 FE2 1 1 FE . . . . . . . . . . . . 50269 1 4 coordination single . 1 . 1 HIS 133 133 NE2 . 2 . 2 FE2 1 1 FE . . . . . . . . . . . . 50269 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID '1,2-dihydroxy-5-(methylsulfanyl)pent-1-en-3-one + O2 -> 4-methylsulfanyl-2-oxobutanoate + formate' 50269 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 50269 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _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 ; MVQAWYMDDAPGDPRQPHRP DPGRPVGLEQLRRLGVLYWK LDADKYENDPELEKIRRERN YSWMDIITICKDKLPNYEEK IKMFYEEHLHLDDEIRYILD GSGYFDVRDKEDQWIRIFME KGDMVTLPAGIYHRFTVDEK NYTKAMRLFVGEPVWTAYNR PADHFEARGQYVKFLAQTA ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 179 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic yes _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 yes UNP 'Q9BV57 (MTND_HUMAN)' . . . . . . . . . . . . . . . . 50269 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID '1,2-dihydroxy-5-(methylsulfanyl)pent-1-en-3-one + O2 --> 4-methylsulfanyl-2-oxobutanoate + formate' 50269 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 50269 1 2 . VAL . 50269 1 3 . GLN . 50269 1 4 . ALA . 50269 1 5 . TRP . 50269 1 6 . TYR . 50269 1 7 . MET . 50269 1 8 . ASP . 50269 1 9 . ASP . 50269 1 10 . ALA . 50269 1 11 . PRO . 50269 1 12 . GLY . 50269 1 13 . ASP . 50269 1 14 . PRO . 50269 1 15 . ARG . 50269 1 16 . GLN . 50269 1 17 . PRO . 50269 1 18 . HIS . 50269 1 19 . ARG . 50269 1 20 . PRO . 50269 1 21 . ASP . 50269 1 22 . PRO . 50269 1 23 . GLY . 50269 1 24 . ARG . 50269 1 25 . PRO . 50269 1 26 . VAL . 50269 1 27 . GLY . 50269 1 28 . LEU . 50269 1 29 . GLU . 50269 1 30 . GLN . 50269 1 31 . LEU . 50269 1 32 . ARG . 50269 1 33 . ARG . 50269 1 34 . LEU . 50269 1 35 . GLY . 50269 1 36 . VAL . 50269 1 37 . LEU . 50269 1 38 . TYR . 50269 1 39 . TRP . 50269 1 40 . LYS . 50269 1 41 . LEU . 50269 1 42 . ASP . 50269 1 43 . ALA . 50269 1 44 . ASP . 50269 1 45 . LYS . 50269 1 46 . TYR . 50269 1 47 . GLU . 50269 1 48 . ASN . 50269 1 49 . ASP . 50269 1 50 . PRO . 50269 1 51 . GLU . 50269 1 52 . LEU . 50269 1 53 . GLU . 50269 1 54 . LYS . 50269 1 55 . ILE . 50269 1 56 . ARG . 50269 1 57 . ARG . 50269 1 58 . GLU . 50269 1 59 . ARG . 50269 1 60 . ASN . 50269 1 61 . TYR . 50269 1 62 . SER . 50269 1 63 . TRP . 50269 1 64 . MET . 50269 1 65 . ASP . 50269 1 66 . ILE . 50269 1 67 . ILE . 50269 1 68 . THR . 50269 1 69 . ILE . 50269 1 70 . CYS . 50269 1 71 . LYS . 50269 1 72 . ASP . 50269 1 73 . LYS . 50269 1 74 . LEU . 50269 1 75 . PRO . 50269 1 76 . ASN . 50269 1 77 . TYR . 50269 1 78 . GLU . 50269 1 79 . GLU . 50269 1 80 . LYS . 50269 1 81 . ILE . 50269 1 82 . LYS . 50269 1 83 . MET . 50269 1 84 . PHE . 50269 1 85 . TYR . 50269 1 86 . GLU . 50269 1 87 . GLU . 50269 1 88 . HIS . 50269 1 89 . LEU . 50269 1 90 . HIS . 50269 1 91 . LEU . 50269 1 92 . ASP . 50269 1 93 . ASP . 50269 1 94 . GLU . 50269 1 95 . ILE . 50269 1 96 . ARG . 50269 1 97 . TYR . 50269 1 98 . ILE . 50269 1 99 . LEU . 50269 1 100 . ASP . 50269 1 101 . GLY . 50269 1 102 . SER . 50269 1 103 . GLY . 50269 1 104 . TYR . 50269 1 105 . PHE . 50269 1 106 . ASP . 50269 1 107 . VAL . 50269 1 108 . ARG . 50269 1 109 . ASP . 50269 1 110 . LYS . 50269 1 111 . GLU . 50269 1 112 . ASP . 50269 1 113 . GLN . 50269 1 114 . TRP . 50269 1 115 . ILE . 50269 1 116 . ARG . 50269 1 117 . ILE . 50269 1 118 . PHE . 50269 1 119 . MET . 50269 1 120 . GLU . 50269 1 121 . LYS . 50269 1 122 . GLY . 50269 1 123 . ASP . 50269 1 124 . MET . 50269 1 125 . VAL . 50269 1 126 . THR . 50269 1 127 . LEU . 50269 1 128 . PRO . 50269 1 129 . ALA . 50269 1 130 . GLY . 50269 1 131 . ILE . 50269 1 132 . TYR . 50269 1 133 . HIS . 50269 1 134 . ARG . 50269 1 135 . PHE . 50269 1 136 . THR . 50269 1 137 . VAL . 50269 1 138 . ASP . 50269 1 139 . GLU . 50269 1 140 . LYS . 50269 1 141 . ASN . 50269 1 142 . TYR . 50269 1 143 . THR . 50269 1 144 . LYS . 50269 1 145 . ALA . 50269 1 146 . MET . 50269 1 147 . ARG . 50269 1 148 . LEU . 50269 1 149 . PHE . 50269 1 150 . VAL . 50269 1 151 . GLY . 50269 1 152 . GLU . 50269 1 153 . PRO . 50269 1 154 . VAL . 50269 1 155 . TRP . 50269 1 156 . THR . 50269 1 157 . ALA . 50269 1 158 . TYR . 50269 1 159 . ASN . 50269 1 160 . ARG . 50269 1 161 . PRO . 50269 1 162 . ALA . 50269 1 163 . ASP . 50269 1 164 . HIS . 50269 1 165 . PHE . 50269 1 166 . GLU . 50269 1 167 . ALA . 50269 1 168 . ARG . 50269 1 169 . GLY . 50269 1 170 . GLN . 50269 1 171 . TYR . 50269 1 172 . VAL . 50269 1 173 . LYS . 50269 1 174 . PHE . 50269 1 175 . LEU . 50269 1 176 . ALA . 50269 1 177 . GLN . 50269 1 178 . THR . 50269 1 179 . ALA . 50269 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 50269 1 . VAL 2 2 50269 1 . GLN 3 3 50269 1 . ALA 4 4 50269 1 . TRP 5 5 50269 1 . TYR 6 6 50269 1 . MET 7 7 50269 1 . ASP 8 8 50269 1 . ASP 9 9 50269 1 . ALA 10 10 50269 1 . PRO 11 11 50269 1 . GLY 12 12 50269 1 . ASP 13 13 50269 1 . PRO 14 14 50269 1 . ARG 15 15 50269 1 . GLN 16 16 50269 1 . PRO 17 17 50269 1 . HIS 18 18 50269 1 . ARG 19 19 50269 1 . PRO 20 20 50269 1 . ASP 21 21 50269 1 . PRO 22 22 50269 1 . GLY 23 23 50269 1 . ARG 24 24 50269 1 . PRO 25 25 50269 1 . VAL 26 26 50269 1 . GLY 27 27 50269 1 . LEU 28 28 50269 1 . GLU 29 29 50269 1 . GLN 30 30 50269 1 . LEU 31 31 50269 1 . ARG 32 32 50269 1 . ARG 33 33 50269 1 . LEU 34 34 50269 1 . GLY 35 35 50269 1 . VAL 36 36 50269 1 . LEU 37 37 50269 1 . TYR 38 38 50269 1 . TRP 39 39 50269 1 . LYS 40 40 50269 1 . LEU 41 41 50269 1 . ASP 42 42 50269 1 . ALA 43 43 50269 1 . ASP 44 44 50269 1 . LYS 45 45 50269 1 . TYR 46 46 50269 1 . GLU 47 47 50269 1 . ASN 48 48 50269 1 . ASP 49 49 50269 1 . PRO 50 50 50269 1 . GLU 51 51 50269 1 . LEU 52 52 50269 1 . GLU 53 53 50269 1 . LYS 54 54 50269 1 . ILE 55 55 50269 1 . ARG 56 56 50269 1 . ARG 57 57 50269 1 . GLU 58 58 50269 1 . ARG 59 59 50269 1 . ASN 60 60 50269 1 . TYR 61 61 50269 1 . SER 62 62 50269 1 . TRP 63 63 50269 1 . MET 64 64 50269 1 . ASP 65 65 50269 1 . ILE 66 66 50269 1 . ILE 67 67 50269 1 . THR 68 68 50269 1 . ILE 69 69 50269 1 . CYS 70 70 50269 1 . LYS 71 71 50269 1 . ASP 72 72 50269 1 . LYS 73 73 50269 1 . LEU 74 74 50269 1 . PRO 75 75 50269 1 . ASN 76 76 50269 1 . TYR 77 77 50269 1 . GLU 78 78 50269 1 . GLU 79 79 50269 1 . LYS 80 80 50269 1 . ILE 81 81 50269 1 . LYS 82 82 50269 1 . MET 83 83 50269 1 . PHE 84 84 50269 1 . TYR 85 85 50269 1 . GLU 86 86 50269 1 . GLU 87 87 50269 1 . HIS 88 88 50269 1 . LEU 89 89 50269 1 . HIS 90 90 50269 1 . LEU 91 91 50269 1 . ASP 92 92 50269 1 . ASP 93 93 50269 1 . GLU 94 94 50269 1 . ILE 95 95 50269 1 . ARG 96 96 50269 1 . TYR 97 97 50269 1 . ILE 98 98 50269 1 . LEU 99 99 50269 1 . ASP 100 100 50269 1 . GLY 101 101 50269 1 . SER 102 102 50269 1 . GLY 103 103 50269 1 . TYR 104 104 50269 1 . PHE 105 105 50269 1 . ASP 106 106 50269 1 . VAL 107 107 50269 1 . ARG 108 108 50269 1 . ASP 109 109 50269 1 . LYS 110 110 50269 1 . GLU 111 111 50269 1 . ASP 112 112 50269 1 . GLN 113 113 50269 1 . TRP 114 114 50269 1 . ILE 115 115 50269 1 . ARG 116 116 50269 1 . ILE 117 117 50269 1 . PHE 118 118 50269 1 . MET 119 119 50269 1 . GLU 120 120 50269 1 . LYS 121 121 50269 1 . GLY 122 122 50269 1 . ASP 123 123 50269 1 . MET 124 124 50269 1 . VAL 125 125 50269 1 . THR 126 126 50269 1 . LEU 127 127 50269 1 . PRO 128 128 50269 1 . ALA 129 129 50269 1 . GLY 130 130 50269 1 . ILE 131 131 50269 1 . TYR 132 132 50269 1 . HIS 133 133 50269 1 . ARG 134 134 50269 1 . PHE 135 135 50269 1 . THR 136 136 50269 1 . VAL 137 137 50269 1 . ASP 138 138 50269 1 . GLU 139 139 50269 1 . LYS 140 140 50269 1 . ASN 141 141 50269 1 . TYR 142 142 50269 1 . THR 143 143 50269 1 . LYS 144 144 50269 1 . ALA 145 145 50269 1 . MET 146 146 50269 1 . ARG 147 147 50269 1 . LEU 148 148 50269 1 . PHE 149 149 50269 1 . VAL 150 150 50269 1 . GLY 151 151 50269 1 . GLU 152 152 50269 1 . PRO 153 153 50269 1 . VAL 154 154 50269 1 . TRP 155 155 50269 1 . THR 156 156 50269 1 . ALA 157 157 50269 1 . TYR 158 158 50269 1 . ASN 159 159 50269 1 . ARG 160 160 50269 1 . PRO 161 161 50269 1 . ALA 162 162 50269 1 . ASP 163 163 50269 1 . HIS 164 164 50269 1 . PHE 165 165 50269 1 . GLU 166 166 50269 1 . ALA 167 167 50269 1 . ARG 168 168 50269 1 . GLY 169 169 50269 1 . GLN 170 170 50269 1 . TYR 171 171 50269 1 . VAL 172 172 50269 1 . LYS 173 173 50269 1 . PHE 174 174 50269 1 . LEU 175 175 50269 1 . ALA 176 176 50269 1 . GLN 177 177 50269 1 . THR 178 178 50269 1 . ALA 179 179 50269 1 stop_ save_ save_entity_FE2 _Entity.Sf_category entity _Entity.Sf_framecode entity_FE2 _Entity.Entry_ID 50269 _Entity.ID 2 _Entity.BMRB_code FE2 _Entity.Name entity_FE2 _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _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 FE2 _Entity.Nonpolymer_comp_label $chem_comp_FE2 _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 55.845 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'FE (II) ION' BMRB 50269 2 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 'FE (II) ION' BMRB 50269 2 FE2 'Three letter code' 50269 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 1 FE2 $chem_comp_FE2 50269 2 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 50269 _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.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.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 50269 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 50269 _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_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.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . plasmid . . pET19 . . . 50269 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_FE2 _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_FE2 _Chem_comp.Entry_ID 50269 _Chem_comp.ID FE2 _Chem_comp.Provenance PDB _Chem_comp.Name 'FE (II) ION' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code FE2 _Chem_comp.PDB_code FE2 _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2012-11-20 _Chem_comp.Modified_date 2012-11-20 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code FE2 _Chem_comp.Number_atoms_all 1 _Chem_comp.Number_atoms_nh 1 _Chem_comp.Atom_nomenclature_source . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/Fe/q+2 _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 2 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula Fe _Chem_comp.Formula_weight 55.845 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID CWYNVVGOOAEACU-UHFFFAOYSA-N InChIKey InChI 1.03 50269 FE2 InChI=1S/Fe/q+2 InChI InChI 1.03 50269 FE2 [Fe++] SMILES CACTVS 3.341 50269 FE2 [Fe++] SMILES_CANONICAL CACTVS 3.341 50269 FE2 [Fe+2] SMILES ACDLabs 10.04 50269 FE2 [Fe+2] SMILES 'OpenEye OEToolkits' 1.5.0 50269 FE2 [Fe+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 50269 FE2 stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID 'iron(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 50269 FE2 iron(2+) 'SYSTEMATIC NAME' ACDLabs 10.04 50269 FE2 stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID FE FE FE FE . FE . . N 2 . . . 0 no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 50269 FE2 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 50269 _Sample.ID 1 _Sample.Name 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'acireductone dioxygenase' '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 500 . . uM . . . . 50269 1 2 HEPES 'natural abundance' . . . . . . 50 . . mM . . . . 50269 1 3 NaCl 'natural abundance' . . . . . . 100 . . mM . . . . 50269 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 50269 _Sample_condition_list.ID 1 _Sample_condition_list.Name 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.1 . M 50269 1 pH 7.4 . pH 50269 1 pressure 1 . atm 50269 1 temperature 298 . K 50269 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 50269 _Software.ID 1 _Software.Type . _Software.Name SPARKY _Software.Version NMRFAM _Software.DOI . _Software.Details . loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'data analysis' 50269 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 50269 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name NEO _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 50269 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50269 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50269 1 3 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50269 1 4 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50269 1 5 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50269 1 6 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50269 1 7 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50269 1 8 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50269 1 9 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50269 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 50269 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name 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.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl carbons' . . . . ppm 0 external indirect 1 . . . . . 50269 1 H 1 DSS 'methyl protons' . . . . ppm 0 external indirect 1 . . . . . 50269 1 N 15 'liquid anhydrous ammonia' nitrogen . . . . ppm 0 external indirect 1 . . . . . 50269 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 50269 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name '1H, 15N and 13C assignments for Fe(II)-containing human acireductone dioxygenase' _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 50269 1 2 '2D 1H-13C HSQC' . . . 50269 1 3 '3D HNCA' . . . 50269 1 4 '3D HN(CO)CA' . . . 50269 1 5 '3D HNCACB' . . . 50269 1 6 '3D HCCH-TOCSY' . . . 50269 1 7 '3D 1H-15N NOESY' . . . 50269 1 8 '3D 1H-13C NOESY aliphatic' . . . 50269 1 9 '3D 1H-15N TOCSY' . . . 50269 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 50269 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_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.Ambiguity_set_ID _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 MET H H 1 8.20 0.01 . 1 . . . . . 1 MET H . 50269 1 2 . 1 . 1 1 1 MET HA H 1 5.09 0.01 . 1 . . . . . 1 MET HA . 50269 1 3 . 1 . 1 1 1 MET HB2 H 1 1.97 0.01 . 2 . . . . . 1 MET HB2 . 50269 1 4 . 1 . 1 1 1 MET HG2 H 1 2.67 0.01 . 2 . . . . . 1 MET HG2 . 50269 1 5 . 1 . 1 1 1 MET HE1 H 1 1.36 0.01 . 1 . . . . . 1 MET ME . 50269 1 6 . 1 . 1 1 1 MET HE2 H 1 1.36 0.01 . 1 . . . . . 1 MET ME . 50269 1 7 . 1 . 1 1 1 MET HE3 H 1 1.36 0.01 . 1 . . . . . 1 MET ME . 50269 1 8 . 1 . 1 1 1 MET CA C 13 55.14 0.01 . 1 . . . . . 1 MET CA . 50269 1 9 . 1 . 1 1 1 MET CB C 13 35.63 0.01 . 1 . . . . . 1 MET CB . 50269 1 10 . 1 . 1 1 1 MET CE C 13 14.28 0.01 . 1 . . . . . 1 MET CE . 50269 1 11 . 1 . 1 1 1 MET N N 15 119.6 0.1 . 1 . . . . . 1 MET N . 50269 1 12 . 1 . 1 2 2 VAL H H 1 7.20 0.01 . 1 . . . . . 2 VAL H . 50269 1 13 . 1 . 1 2 2 VAL HA H 1 3.99 0.01 . 1 . . . . . 2 VAL HA . 50269 1 14 . 1 . 1 2 2 VAL HB H 1 1.06 0.01 . 1 . . . . . 2 VAL HB . 50269 1 15 . 1 . 1 2 2 VAL HG11 H 1 0.28 0.01 . 2 . . . . . 2 VAL MG1 . 50269 1 16 . 1 . 1 2 2 VAL HG12 H 1 0.28 0.01 . 2 . . . . . 2 VAL MG1 . 50269 1 17 . 1 . 1 2 2 VAL HG13 H 1 0.28 0.01 . 2 . . . . . 2 VAL MG1 . 50269 1 18 . 1 . 1 2 2 VAL HG21 H 1 0.29 0.01 . 2 . . . . . 2 VAL MG2 . 50269 1 19 . 1 . 1 2 2 VAL HG22 H 1 0.29 0.01 . 2 . . . . . 2 VAL MG2 . 50269 1 20 . 1 . 1 2 2 VAL HG23 H 1 0.29 0.01 . 2 . . . . . 2 VAL MG2 . 50269 1 21 . 1 . 1 2 2 VAL CA C 13 60.39 0.01 . 1 . . . . . 2 VAL CA . 50269 1 22 . 1 . 1 2 2 VAL CB C 13 33.06 0.01 . 1 . . . . . 2 VAL CB . 50269 1 23 . 1 . 1 2 2 VAL CG1 C 13 17.22 0.01 . 2 . . . . . 2 VAL CG1 . 50269 1 24 . 1 . 1 2 2 VAL CG2 C 13 18.79 0.01 . 2 . . . . . 2 VAL CG2 . 50269 1 25 . 1 . 1 2 2 VAL N N 15 121.2 0.1 . 1 . . . . . 2 VAL N . 50269 1 26 . 1 . 1 3 3 GLN H H 1 9.57 0.01 . 1 . . . . . 3 GLN H . 50269 1 27 . 1 . 1 3 3 GLN HA H 1 4.60 0.01 . 1 . . . . . 3 GLN HA . 50269 1 28 . 1 . 1 3 3 GLN HB2 H 1 2.29 0.01 . 2 . . . . . 3 GLN HB2 . 50269 1 29 . 1 . 1 3 3 GLN HB3 H 1 2.29 0.01 . 2 . . . . . 3 GLN HB3 . 50269 1 30 . 1 . 1 3 3 GLN HG2 H 1 2.47 0.01 . 2 . . . . . 3 GLN HG2 . 50269 1 31 . 1 . 1 3 3 GLN HG3 H 1 2.73 0.01 . 2 . . . . . 3 GLN HG3 . 50269 1 32 . 1 . 1 3 3 GLN CA C 13 55.32 0.01 . 1 . . . . . 3 GLN CA . 50269 1 33 . 1 . 1 3 3 GLN CB C 13 29.42 0.01 . 1 . . . . . 3 GLN CB . 50269 1 34 . 1 . 1 3 3 GLN N N 15 129.2 0.1 . 1 . . . . . 3 GLN N . 50269 1 35 . 1 . 1 4 4 ALA H H 1 8.32 0.01 . 1 . . . . . 4 ALA H . 50269 1 36 . 1 . 1 4 4 ALA HA H 1 5.50 0.01 . 1 . . . . . 4 ALA HA . 50269 1 37 . 1 . 1 4 4 ALA HB1 H 1 1.16 0.01 . 1 . . . . . 4 ALA MB . 50269 1 38 . 1 . 1 4 4 ALA HB2 H 1 1.16 0.01 . 1 . . . . . 4 ALA MB . 50269 1 39 . 1 . 1 4 4 ALA HB3 H 1 1.16 0.01 . 1 . . . . . 4 ALA MB . 50269 1 40 . 1 . 1 4 4 ALA CA C 13 50.9 0.01 . 1 . . . . . 4 ALA CA . 50269 1 41 . 1 . 1 4 4 ALA CB C 13 22.26 0.01 . 1 . . . . . 4 ALA CB . 50269 1 42 . 1 . 1 4 4 ALA N N 15 124.1 0.1 . 1 . . . . . 4 ALA N . 50269 1 43 . 1 . 1 5 5 TRP H H 1 9.17 0.01 . 1 . . . . . 5 TRP H . 50269 1 44 . 1 . 1 5 5 TRP HA H 1 5.48 0.01 . 1 . . . . . 5 TRP HA . 50269 1 45 . 1 . 1 5 5 TRP HB2 H 1 3.16 0.01 . 2 . . . . . 5 TRP HB2 . 50269 1 46 . 1 . 1 5 5 TRP HB3 H 1 3.70 0.01 . 2 . . . . . 5 TRP HB3 . 50269 1 47 . 1 . 1 5 5 TRP HD1 H 1 7.24 0.01 . 1 . . . . . 5 TRP HD1 . 50269 1 48 . 1 . 1 5 5 TRP HE1 H 1 9.25 0.01 . 1 . . . . . 5 TRP HE1 . 50269 1 49 . 1 . 1 5 5 TRP HZ2 H 1 7.64 0.01 . 1 . . . . . 5 TRP HZ2 . 50269 1 50 . 1 . 1 5 5 TRP CA C 13 56.49 0.01 . 1 . . . . . 5 TRP CA . 50269 1 51 . 1 . 1 5 5 TRP CB C 13 30.96 0.01 . 1 . . . . . 5 TRP CB . 50269 1 52 . 1 . 1 5 5 TRP N N 15 120.6 0.1 . 1 . . . . . 5 TRP N . 50269 1 53 . 1 . 1 5 5 TRP NE1 N 15 128.2 0.1 . 1 . . . . . 5 TRP NE1 . 50269 1 54 . 1 . 1 6 6 TYR H H 1 8.41 0.01 . 1 . . . . . 6 TYR H . 50269 1 55 . 1 . 1 6 6 TYR HA H 1 4.90 0.01 . 1 . . . . . 6 TYR HA . 50269 1 56 . 1 . 1 6 6 TYR HB2 H 1 3.02 0.01 . 2 . . . . . 6 TYR HB2 . 50269 1 57 . 1 . 1 6 6 TYR HB3 H 1 3.24 0.01 . 2 . . . . . 6 TYR HB3 . 50269 1 58 . 1 . 1 6 6 TYR HD1 H 1 6.80 0.01 . 3 . . . . . 6 TYR HD1 . 50269 1 59 . 1 . 1 6 6 TYR HE1 H 1 5.50 0.01 . 3 . . . . . 6 TYR HE1 . 50269 1 60 . 1 . 1 6 6 TYR CA C 13 61.04 0.01 . 1 . . . . . 6 TYR CA . 50269 1 61 . 1 . 1 6 6 TYR CB C 13 38.26 0.01 . 1 . . . . . 6 TYR CB . 50269 1 62 . 1 . 1 6 6 TYR N N 15 119.7 0.1 . 1 . . . . . 6 TYR N . 50269 1 63 . 1 . 1 7 7 MET H H 1 7.97 0.01 . 1 . . . . . 7 MET H . 50269 1 64 . 1 . 1 7 7 MET HA H 1 5.13 0.01 . 1 . . . . . 7 MET HA . 50269 1 65 . 1 . 1 7 7 MET HB2 H 1 2.87 0.01 . 2 . . . . . 7 MET HB2 . 50269 1 66 . 1 . 1 7 7 MET HG2 H 1 2.46 0.01 . 2 . . . . . 7 MET HG2 . 50269 1 67 . 1 . 1 7 7 MET HG3 H 1 2.50 0.01 . 2 . . . . . 7 MET HG3 . 50269 1 68 . 1 . 1 7 7 MET HE1 H 1 1.95 0.01 . 1 . . . . . 7 MET ME . 50269 1 69 . 1 . 1 7 7 MET HE2 H 1 1.95 0.01 . 1 . . . . . 7 MET ME . 50269 1 70 . 1 . 1 7 7 MET HE3 H 1 1.95 0.01 . 1 . . . . . 7 MET ME . 50269 1 71 . 1 . 1 7 7 MET CA C 13 56.77 0.01 . 1 . . . . . 7 MET CA . 50269 1 72 . 1 . 1 7 7 MET CB C 13 35.34 0.01 . 1 . . . . . 7 MET CB . 50269 1 73 . 1 . 1 7 7 MET CE C 13 14.17 0.01 . 1 . . . . . 7 MET CE . 50269 1 74 . 1 . 1 7 7 MET N N 15 123.7 0.1 . 1 . . . . . 7 MET N . 50269 1 75 . 1 . 1 8 8 ASP H H 1 8.20 0.01 . 1 . . . . . 8 ASP H . 50269 1 76 . 1 . 1 8 8 ASP HA H 1 4.74 0.01 . 1 . . . . . 8 ASP HA . 50269 1 77 . 1 . 1 8 8 ASP HB2 H 1 3.36 0.01 . 2 . . . . . 8 ASP HB2 . 50269 1 78 . 1 . 1 8 8 ASP CA C 13 53.98 0.01 . 1 . . . . . 8 ASP CA . 50269 1 79 . 1 . 1 8 8 ASP CB C 13 40.9 0.01 . 1 . . . . . 8 ASP CB . 50269 1 80 . 1 . 1 8 8 ASP N N 15 121.1 0.1 . 1 . . . . . 8 ASP N . 50269 1 81 . 1 . 1 9 9 ASP H H 1 8.24 0.01 . 1 . . . . . 9 ASP H . 50269 1 82 . 1 . 1 9 9 ASP HA H 1 4.99 0.01 . 1 . . . . . 9 ASP HA . 50269 1 83 . 1 . 1 9 9 ASP HB2 H 1 2.89 0.01 . 2 . . . . . 9 ASP HB2 . 50269 1 84 . 1 . 1 9 9 ASP HB3 H 1 2.96 0.01 . 2 . . . . . 9 ASP HB3 . 50269 1 85 . 1 . 1 9 9 ASP CA C 13 52.87 0.01 . 1 . . . . . 9 ASP CA . 50269 1 86 . 1 . 1 9 9 ASP CB C 13 41.05 0.01 . 1 . . . . . 9 ASP CB . 50269 1 87 . 1 . 1 9 9 ASP N N 15 118.5 0.1 . 1 . . . . . 9 ASP N . 50269 1 88 . 1 . 1 10 10 ALA H H 1 8.41 0.01 . 1 . . . . . 10 ALA H . 50269 1 89 . 1 . 1 10 10 ALA HA H 1 4.63 0.01 . 1 . . . . . 10 ALA HA . 50269 1 90 . 1 . 1 10 10 ALA HB1 H 1 1.42 0.01 . 1 . . . . . 10 ALA MB . 50269 1 91 . 1 . 1 10 10 ALA HB2 H 1 1.42 0.01 . 1 . . . . . 10 ALA MB . 50269 1 92 . 1 . 1 10 10 ALA HB3 H 1 1.42 0.01 . 1 . . . . . 10 ALA MB . 50269 1 93 . 1 . 1 10 10 ALA CA C 13 50.45 0.01 . 1 . . . . . 10 ALA CA . 50269 1 94 . 1 . 1 10 10 ALA CB C 13 18.62 0.01 . 1 . . . . . 10 ALA CB . 50269 1 95 . 1 . 1 10 10 ALA N N 15 126.7 0.1 . 1 . . . . . 10 ALA N . 50269 1 96 . 1 . 1 11 11 PRO HA H 1 4.54 0.01 . 1 . . . . . 11 PRO HA . 50269 1 97 . 1 . 1 11 11 PRO HB2 H 1 1.98 0.01 . 2 . . . . . 11 PRO HB2 . 50269 1 98 . 1 . 1 11 11 PRO HB3 H 1 2.24 0.01 . 2 . . . . . 11 PRO HB3 . 50269 1 99 . 1 . 1 11 11 PRO HG2 H 1 1.47 0.01 . 2 . . . . . 11 PRO HG2 . 50269 1 100 . 1 . 1 11 11 PRO HG3 H 1 1.59 0.01 . 2 . . . . . 11 PRO HG3 . 50269 1 101 . 1 . 1 11 11 PRO HD2 H 1 3.72 0.01 . 2 . . . . . 11 PRO HD2 . 50269 1 102 . 1 . 1 11 11 PRO HD3 H 1 3.87 0.01 . 2 . . . . . 11 PRO HD3 . 50269 1 103 . 1 . 1 11 11 PRO CA C 13 63.02 0.01 . 1 . . . . . 11 PRO CA . 50269 1 104 . 1 . 1 11 11 PRO CB C 13 32.03 0.01 . 1 . . . . . 11 PRO CB . 50269 1 105 . 1 . 1 11 11 PRO CG C 13 28.98 0.01 . 1 . . . . . 11 PRO CG . 50269 1 106 . 1 . 1 11 11 PRO CD C 13 50.88 0.01 . 1 . . . . . 11 PRO CD . 50269 1 107 . 1 . 1 12 12 GLY H H 1 8.14 0.01 . 1 . . . . . 12 GLY H . 50269 1 108 . 1 . 1 12 12 GLY HA2 H 1 3.78 0.01 . 2 . . . . . 12 GLY HA2 . 50269 1 109 . 1 . 1 12 12 GLY HA3 H 1 4.22 0.01 . 2 . . . . . 12 GLY HA3 . 50269 1 110 . 1 . 1 12 12 GLY CA C 13 44.41 0.01 . 1 . . . . . 12 GLY CA . 50269 1 111 . 1 . 1 12 12 GLY N N 15 108.6 0.1 . 1 . . . . . 12 GLY N . 50269 1 112 . 1 . 1 13 13 ASP H H 1 8.29 0.01 . 1 . . . . . 13 ASP H . 50269 1 113 . 1 . 1 13 13 ASP HA H 1 4.68 0.01 . 1 . . . . . 13 ASP HA . 50269 1 114 . 1 . 1 13 13 ASP HB2 H 1 2.64 0.01 . 2 . . . . . 13 ASP HB2 . 50269 1 115 . 1 . 1 13 13 ASP CA C 13 52.77 0.01 . 1 . . . . . 13 ASP CA . 50269 1 116 . 1 . 1 13 13 ASP CB C 13 42.56 0.01 . 1 . . . . . 13 ASP CB . 50269 1 117 . 1 . 1 13 13 ASP N N 15 121.9 0.1 . 1 . . . . . 13 ASP N . 50269 1 118 . 1 . 1 14 14 PRO HA H 1 4.11 0.01 . 1 . . . . . 14 PRO HA . 50269 1 119 . 1 . 1 14 14 PRO HB2 H 1 2.10 0.01 . 2 . . . . . 14 PRO HB2 . 50269 1 120 . 1 . 1 14 14 PRO HD2 H 1 3.70 0.01 . 2 . . . . . 14 PRO HD2 . 50269 1 121 . 1 . 1 14 14 PRO CA C 13 65.63 0.01 . 1 . . . . . 14 PRO CA . 50269 1 122 . 1 . 1 14 14 PRO CB C 13 36.42 0.01 . 1 . . . . . 14 PRO CB . 50269 1 123 . 1 . 1 14 14 PRO CD C 13 51.00 0.01 . 1 . . . . . 14 PRO CD . 50269 1 124 . 1 . 1 15 15 ARG H H 1 8.22 0.01 . 1 . . . . . 15 ARG H . 50269 1 125 . 1 . 1 15 15 ARG HA H 1 4.49 0.01 . 1 . . . . . 15 ARG HA . 50269 1 126 . 1 . 1 15 15 ARG HB2 H 1 1.48 0.01 . 2 . . . . . 15 ARG HB2 . 50269 1 127 . 1 . 1 15 15 ARG HB3 H 1 1.70 0.01 . 2 . . . . . 15 ARG HB3 . 50269 1 128 . 1 . 1 15 15 ARG HG2 H 1 1.28 0.01 . 2 . . . . . 15 ARG HG2 . 50269 1 129 . 1 . 1 15 15 ARG HD2 H 1 2.68 0.01 . 2 . . . . . 15 ARG HD2 . 50269 1 130 . 1 . 1 15 15 ARG HD3 H 1 2.86 0.01 . 2 . . . . . 15 ARG HD3 . 50269 1 131 . 1 . 1 15 15 ARG CA C 13 56.75 0.01 . 1 . . . . . 15 ARG CA . 50269 1 132 . 1 . 1 15 15 ARG CB C 13 31.55 0.01 . 1 . . . . . 15 ARG CB . 50269 1 133 . 1 . 1 15 15 ARG N N 15 112.2 0.1 . 1 . . . . . 15 ARG N . 50269 1 134 . 1 . 1 16 16 GLN H H 1 7.31 0.01 . 1 . . . . . 16 GLN H . 50269 1 135 . 1 . 1 16 16 GLN HA H 1 4.45 0.01 . 1 . . . . . 16 GLN HA . 50269 1 136 . 1 . 1 16 16 GLN HB2 H 1 1.68 0.01 . 2 . . . . . 16 GLN HB2 . 50269 1 137 . 1 . 1 16 16 GLN HG2 H 1 2.14 0.01 . 2 . . . . . 16 GLN HG2 . 50269 1 138 . 1 . 1 16 16 GLN HG3 H 1 2.40 0.01 . 2 . . . . . 16 GLN HG3 . 50269 1 139 . 1 . 1 16 16 GLN CA C 13 54.73 0.01 . 1 . . . . . 16 GLN CA . 50269 1 140 . 1 . 1 16 16 GLN CB C 13 27.07 0.01 . 1 . . . . . 16 GLN CB . 50269 1 141 . 1 . 1 16 16 GLN N N 15 115.8 0.2 . 1 . . . . . 16 GLN N . 50269 1 142 . 1 . 1 17 17 PRO HA H 1 4.43 0.01 . 1 . . . . . 17 PRO HA . 50269 1 143 . 1 . 1 17 17 PRO HB2 H 1 2.01 0.01 . 2 . . . . . 17 PRO HB2 . 50269 1 144 . 1 . 1 17 17 PRO HG2 H 1 1.37 0.01 . 2 . . . . . 17 PRO HG2 . 50269 1 145 . 1 . 1 17 17 PRO HG3 H 1 1.81 0.01 . 2 . . . . . 17 PRO HG3 . 50269 1 146 . 1 . 1 17 17 PRO HD2 H 1 3.49 0.01 . 2 . . . . . 17 PRO HD2 . 50269 1 147 . 1 . 1 17 17 PRO CA C 13 66.32 0.01 . 1 . . . . . 17 PRO CA . 50269 1 148 . 1 . 1 17 17 PRO CB C 13 33.03 0.01 . 1 . . . . . 17 PRO CB . 50269 1 149 . 1 . 1 18 18 HIS H H 1 8.13 0.01 . 1 . . . . . 18 HIS H . 50269 1 150 . 1 . 1 18 18 HIS HA H 1 3.90 0.01 . 1 . . . . . 18 HIS HA . 50269 1 151 . 1 . 1 18 18 HIS HB2 H 1 3.34 0.01 . 2 . . . . . 18 HIS HB2 . 50269 1 152 . 1 . 1 18 18 HIS HB3 H 1 3.48 0.01 . 2 . . . . . 18 HIS HB3 . 50269 1 153 . 1 . 1 18 18 HIS CA C 13 56.90 0.01 . 1 . . . . . 18 HIS CA . 50269 1 154 . 1 . 1 18 18 HIS CB C 13 26.42 0.01 . 1 . . . . . 18 HIS CB . 50269 1 155 . 1 . 1 18 18 HIS N N 15 107.1 0.1 . 1 . . . . . 18 HIS N . 50269 1 156 . 1 . 1 19 19 ARG H H 1 7.92 0.01 . 1 . . . . . 19 ARG H . 50269 1 157 . 1 . 1 19 19 ARG HA H 1 4.59 0.01 . 1 . . . . . 19 ARG HA . 50269 1 158 . 1 . 1 19 19 ARG HB2 H 1 0.41 0.01 . 2 . . . . . 19 ARG HB2 . 50269 1 159 . 1 . 1 19 19 ARG HB3 H 1 0.53 0.01 . 2 . . . . . 19 ARG HB3 . 50269 1 160 . 1 . 1 19 19 ARG HG2 H 1 -0.06 0.01 . 2 . . . . . 19 ARG HG2 . 50269 1 161 . 1 . 1 19 19 ARG HG3 H 1 -0.33 0.01 . 2 . . . . . 19 ARG HG3 . 50269 1 162 . 1 . 1 19 19 ARG HD2 H 1 1.08 0.01 . 2 . . . . . 19 ARG HD2 . 50269 1 163 . 1 . 1 19 19 ARG HD3 H 1 1.38 0.01 . 2 . . . . . 19 ARG HD3 . 50269 1 164 . 1 . 1 19 19 ARG CA C 13 53.44 0.01 . 1 . . . . . 19 ARG CA . 50269 1 165 . 1 . 1 19 19 ARG CB C 13 32.77 0.01 . 1 . . . . . 19 ARG CB . 50269 1 166 . 1 . 1 19 19 ARG CG C 13 26.41 0.01 . 1 . . . . . 19 ARG CG . 50269 1 167 . 1 . 1 19 19 ARG CD C 13 49.34 0.01 . 1 . . . . . 19 ARG CD . 50269 1 168 . 1 . 1 19 19 ARG N N 15 120.8 0.1 . 1 . . . . . 19 ARG N . 50269 1 169 . 1 . 1 20 20 PRO HA H 1 4.43 0.01 . 1 . . . . . 20 PRO HA . 50269 1 170 . 1 . 1 20 20 PRO HB2 H 1 1.98 0.01 . 2 . . . . . 20 PRO HB2 . 50269 1 171 . 1 . 1 20 20 PRO HB3 H 1 2.31 0.01 . 2 . . . . . 20 PRO HB3 . 50269 1 172 . 1 . 1 20 20 PRO HG2 H 1 2.07 0.01 . 2 . . . . . 20 PRO HG2 . 50269 1 173 . 1 . 1 20 20 PRO HG3 H 1 2.26 0.01 . 2 . . . . . 20 PRO HG3 . 50269 1 174 . 1 . 1 20 20 PRO HD2 H 1 3.66 0.01 . 2 . . . . . 20 PRO HD2 . 50269 1 175 . 1 . 1 20 20 PRO HD3 H 1 4.12 0.01 . 2 . . . . . 20 PRO HD3 . 50269 1 176 . 1 . 1 20 20 PRO CA C 13 63.24 0.01 . 1 . . . . . 20 PRO CA . 50269 1 177 . 1 . 1 20 20 PRO CB C 13 33.16 0.01 . 1 . . . . . 20 PRO CB . 50269 1 178 . 1 . 1 20 20 PRO CG C 13 27.69 0.01 . 1 . . . . . 20 PRO CG . 50269 1 179 . 1 . 1 20 20 PRO CD C 13 57.10 0.01 . 1 . . . . . 20 PRO CD . 50269 1 180 . 1 . 1 21 21 ASP H H 1 8.12 0.01 . 1 . . . . . 21 ASP H . 50269 1 181 . 1 . 1 21 21 ASP HA H 1 4.67 0.01 . 1 . . . . . 21 ASP HA . 50269 1 182 . 1 . 1 21 21 ASP HB2 H 1 2.77 0.01 . 2 . . . . . 21 ASP HB2 . 50269 1 183 . 1 . 1 21 21 ASP HB3 H 1 2.66 0.01 . 2 . . . . . 21 ASP HB3 . 50269 1 184 . 1 . 1 21 21 ASP CA C 13 52.25 0.01 . 1 . . . . . 21 ASP CA . 50269 1 185 . 1 . 1 21 21 ASP CB C 13 44.00 0.01 . 1 . . . . . 21 ASP CB . 50269 1 186 . 1 . 1 21 21 ASP N N 15 120.3 0.1 . 1 . . . . . 21 ASP N . 50269 1 187 . 1 . 1 22 22 PRO HA H 1 4.84 0.01 . 1 . . . . . 22 PRO HA . 50269 1 188 . 1 . 1 22 22 PRO HB2 H 1 2.07 0.01 . 2 . . . . . 22 PRO HB2 . 50269 1 189 . 1 . 1 22 22 PRO HB3 H 1 2.40 0.01 . 2 . . . . . 22 PRO HB3 . 50269 1 190 . 1 . 1 22 22 PRO HG2 H 1 1.93 0.01 . 2 . . . . . 22 PRO HG2 . 50269 1 191 . 1 . 1 22 22 PRO HD2 H 1 3.52 0.01 . 2 . . . . . 22 PRO HD2 . 50269 1 192 . 1 . 1 22 22 PRO HD3 H 1 3.57 0.01 . 2 . . . . . 22 PRO HD3 . 50269 1 193 . 1 . 1 22 22 PRO CA C 13 63.71 0.01 . 1 . . . . . 22 PRO CA . 50269 1 194 . 1 . 1 22 22 PRO CB C 13 34.41 0.01 . 1 . . . . . 22 PRO CB . 50269 1 195 . 1 . 1 22 22 PRO CG C 13 25.49 0.01 . 1 . . . . . 22 PRO CG . 50269 1 196 . 1 . 1 22 22 PRO CD C 13 50.32 0.01 . 1 . . . . . 22 PRO CD . 50269 1 197 . 1 . 1 23 23 GLY H H 1 8.51 0.01 . 1 . . . . . 23 GLY H . 50269 1 198 . 1 . 1 23 23 GLY HA2 H 1 3.82 0.01 . 2 . . . . . 23 GLY HA2 . 50269 1 199 . 1 . 1 23 23 GLY HA3 H 1 4.12 0.01 . 2 . . . . . 23 GLY HA3 . 50269 1 200 . 1 . 1 23 23 GLY CA C 13 45.51 0.01 . 1 . . . . . 23 GLY CA . 50269 1 201 . 1 . 1 23 23 GLY N N 15 108.7 0.1 . 1 . . . . . 23 GLY N . 50269 1 202 . 1 . 1 24 24 ARG H H 1 9.16 0.01 . 1 . . . . . 24 ARG H . 50269 1 203 . 1 . 1 24 24 ARG HA H 1 4.97 0.01 . 1 . . . . . 24 ARG HA . 50269 1 204 . 1 . 1 24 24 ARG HB2 H 1 2.01 0.01 . 2 . . . . . 24 ARG HB2 . 50269 1 205 . 1 . 1 24 24 ARG HB3 H 1 2.20 0.01 . 2 . . . . . 24 ARG HB3 . 50269 1 206 . 1 . 1 24 24 ARG HG2 H 1 1.66 0.01 . 2 . . . . . 24 ARG HG2 . 50269 1 207 . 1 . 1 24 24 ARG HG3 H 1 1.79 0.01 . 2 . . . . . 24 ARG HG3 . 50269 1 208 . 1 . 1 24 24 ARG HD2 H 1 3.12 0.01 . 2 . . . . . 24 ARG HD2 . 50269 1 209 . 1 . 1 24 24 ARG HD3 H 1 3.18 0.01 . 2 . . . . . 24 ARG HD3 . 50269 1 210 . 1 . 1 24 24 ARG CA C 13 53.61 0.01 . 1 . . . . . 24 ARG CA . 50269 1 211 . 1 . 1 24 24 ARG CB C 13 32.91 0.01 . 1 . . . . . 24 ARG CB . 50269 1 212 . 1 . 1 24 24 ARG CG C 13 27.96 0.01 . 1 . . . . . 24 ARG CG . 50269 1 213 . 1 . 1 24 24 ARG CD C 13 44.22 0.01 . 1 . . . . . 24 ARG CD . 50269 1 214 . 1 . 1 24 24 ARG N N 15 122.8 0.1 . 1 . . . . . 24 ARG N . 50269 1 215 . 1 . 1 25 25 PRO HA H 1 5.03 0.01 . 1 . . . . . 25 PRO HA . 50269 1 216 . 1 . 1 25 25 PRO HB2 H 1 2.03 0.01 . 2 . . . . . 25 PRO HB2 . 50269 1 217 . 1 . 1 25 25 PRO HB3 H 1 2.54 0.01 . 2 . . . . . 25 PRO HB3 . 50269 1 218 . 1 . 1 25 25 PRO HG2 H 1 2.06 0.01 . 2 . . . . . 25 PRO HG2 . 50269 1 219 . 1 . 1 25 25 PRO HD2 H 1 3.64 0.01 . 2 . . . . . 25 PRO HD2 . 50269 1 220 . 1 . 1 25 25 PRO HD3 H 1 3.83 0.01 . 2 . . . . . 25 PRO HD3 . 50269 1 221 . 1 . 1 25 25 PRO CA C 13 62.87 0.01 . 1 . . . . . 25 PRO CA . 50269 1 222 . 1 . 1 25 25 PRO CB C 13 32.80 0.01 . 1 . . . . . 25 PRO CB . 50269 1 223 . 1 . 1 25 25 PRO CG C 13 27.09 0.01 . 1 . . . . . 25 PRO CG . 50269 1 224 . 1 . 1 25 25 PRO CD C 13 50.72 0.01 . 1 . . . . . 25 PRO CD . 50269 1 225 . 1 . 1 26 26 VAL H H 1 8.09 0.01 . 1 . . . . . 26 VAL H . 50269 1 226 . 1 . 1 26 26 VAL HA H 1 4.19 0.01 . 1 . . . . . 26 VAL HA . 50269 1 227 . 1 . 1 26 26 VAL HB H 1 1.37 0.01 . 1 . . . . . 26 VAL HB . 50269 1 228 . 1 . 1 26 26 VAL HG11 H 1 0.72 0.01 . 1 . . . . . 26 VAL MG1 . 50269 1 229 . 1 . 1 26 26 VAL HG12 H 1 0.72 0.01 . 1 . . . . . 26 VAL MG1 . 50269 1 230 . 1 . 1 26 26 VAL HG13 H 1 0.72 0.01 . 1 . . . . . 26 VAL MG1 . 50269 1 231 . 1 . 1 26 26 VAL HG21 H 1 -0.65 0.01 . 1 . . . . . 26 VAL MG2 . 50269 1 232 . 1 . 1 26 26 VAL HG22 H 1 -0.65 0.01 . 1 . . . . . 26 VAL MG2 . 50269 1 233 . 1 . 1 26 26 VAL HG23 H 1 -0.65 0.01 . 1 . . . . . 26 VAL MG2 . 50269 1 234 . 1 . 1 26 26 VAL CA C 13 61.73 0.01 . 1 . . . . . 26 VAL CA . 50269 1 235 . 1 . 1 26 26 VAL CB C 13 34.40 0.01 . 1 . . . . . 26 VAL CB . 50269 1 236 . 1 . 1 26 26 VAL CG1 C 13 18.20 0.01 . 1 . . . . . 26 VAL CG1 . 50269 1 237 . 1 . 1 26 26 VAL CG2 C 13 20.03 0.01 . 1 . . . . . 26 VAL CG2 . 50269 1 238 . 1 . 1 26 26 VAL N N 15 123.2 0.1 . 1 . . . . . 26 VAL N . 50269 1 239 . 1 . 1 27 27 GLY H H 1 8.31 0.01 . 1 . . . . . 27 GLY H . 50269 1 240 . 1 . 1 27 27 GLY HA2 H 1 3.80 0.01 . 2 . . . . . 27 GLY HA2 . 50269 1 241 . 1 . 1 27 27 GLY HA3 H 1 4.45 0.01 . 2 . . . . . 27 GLY HA3 . 50269 1 242 . 1 . 1 27 27 GLY CA C 13 43.34 0.01 . 1 . . . . . 27 GLY CA . 50269 1 243 . 1 . 1 27 27 GLY N N 15 113.6 0.1 . 1 . . . . . 27 GLY N . 50269 1 244 . 1 . 1 28 28 LEU H H 1 8.31 0.01 . 1 . . . . . 28 LEU H . 50269 1 245 . 1 . 1 28 28 LEU HA H 1 3.57 0.01 . 1 . . . . . 28 LEU HA . 50269 1 246 . 1 . 1 28 28 LEU HB2 H 1 1.41 0.01 . 2 . . . . . 28 LEU HB2 . 50269 1 247 . 1 . 1 28 28 LEU HB3 H 1 1.42 0.01 . 2 . . . . . 28 LEU HB3 . 50269 1 248 . 1 . 1 28 28 LEU HG H 1 1.37 0.01 . 1 . . . . . 28 LEU HG . 50269 1 249 . 1 . 1 28 28 LEU HD11 H 1 0.66 0.01 . 1 . . . . . 28 LEU MD1 . 50269 1 250 . 1 . 1 28 28 LEU HD12 H 1 0.66 0.01 . 1 . . . . . 28 LEU MD1 . 50269 1 251 . 1 . 1 28 28 LEU HD13 H 1 0.66 0.01 . 1 . . . . . 28 LEU MD1 . 50269 1 252 . 1 . 1 28 28 LEU HD21 H 1 -0.64 0.01 . 1 . . . . . 28 LEU MD2 . 50269 1 253 . 1 . 1 28 28 LEU HD22 H 1 -0.64 0.01 . 1 . . . . . 28 LEU MD2 . 50269 1 254 . 1 . 1 28 28 LEU HD23 H 1 -0.64 0.01 . 1 . . . . . 28 LEU MD2 . 50269 1 255 . 1 . 1 28 28 LEU CA C 13 57.95 0.01 . 1 . . . . . 28 LEU CA . 50269 1 256 . 1 . 1 28 28 LEU CB C 13 42.34 0.01 . 1 . . . . . 28 LEU CB . 50269 1 257 . 1 . 1 28 28 LEU CG C 13 26.72 0.01 . 1 . . . . . 28 LEU CG . 50269 1 258 . 1 . 1 28 28 LEU CD1 C 13 24.52 0.01 . 1 . . . . . 28 LEU CD1 . 50269 1 259 . 1 . 1 28 28 LEU CD2 C 13 26.89 0.01 . 1 . . . . . 28 LEU CD2 . 50269 1 260 . 1 . 1 28 28 LEU N N 15 119.3 0.1 . 1 . . . . . 28 LEU N . 50269 1 261 . 1 . 1 29 29 GLU H H 1 8.77 0.01 . 1 . . . . . 29 GLU H . 50269 1 262 . 1 . 1 29 29 GLU HA H 1 3.82 0.01 . 1 . . . . . 29 GLU HA . 50269 1 263 . 1 . 1 29 29 GLU HB2 H 1 1.88 0.01 . 2 . . . . . 29 GLU HB2 . 50269 1 264 . 1 . 1 29 29 GLU HB3 H 1 1.93 0.01 . 2 . . . . . 29 GLU HB3 . 50269 1 265 . 1 . 1 29 29 GLU HG2 H 1 2.14 0.01 . 2 . . . . . 29 GLU HG2 . 50269 1 266 . 1 . 1 29 29 GLU CA C 13 59.29 0.01 . 1 . . . . . 29 GLU CA . 50269 1 267 . 1 . 1 29 29 GLU CB C 13 28.08 0.01 . 1 . . . . . 29 GLU CB . 50269 1 268 . 1 . 1 29 29 GLU N N 15 119.3 0.1 . 1 . . . . . 29 GLU N . 50269 1 269 . 1 . 1 30 30 GLN H H 1 7.56 0.01 . 1 . . . . . 30 GLN H . 50269 1 270 . 1 . 1 30 30 GLN HA H 1 3.79 0.01 . 1 . . . . . 30 GLN HA . 50269 1 271 . 1 . 1 30 30 GLN HB2 H 1 2.08 0.01 . 2 . . . . . 30 GLN HB2 . 50269 1 272 . 1 . 1 30 30 GLN HG2 H 1 2.40 0.01 . 2 . . . . . 30 GLN HG2 . 50269 1 273 . 1 . 1 30 30 GLN CA C 13 59.15 0.01 . 1 . . . . . 30 GLN CA . 50269 1 274 . 1 . 1 30 30 GLN CB C 13 28.14 0.01 . 1 . . . . . 30 GLN CB . 50269 1 275 . 1 . 1 30 30 GLN N N 15 119.1 0.1 . 1 . . . . . 30 GLN N . 50269 1 276 . 1 . 1 31 31 LEU H H 1 7.27 0.01 . 1 . . . . . 31 LEU H . 50269 1 277 . 1 . 1 31 31 LEU HA H 1 3.66 0.01 . 1 . . . . . 31 LEU HA . 50269 1 278 . 1 . 1 31 31 LEU HB2 H 1 0.75 0.01 . 2 . . . . . 31 LEU HB2 . 50269 1 279 . 1 . 1 31 31 LEU HB3 H 1 1.55 0.01 . 2 . . . . . 31 LEU HB3 . 50269 1 280 . 1 . 1 31 31 LEU HG H 1 1.37 0.01 . 1 . . . . . 31 LEU HG . 50269 1 281 . 1 . 1 31 31 LEU HD11 H 1 0.60 0.01 . 1 . . . . . 31 LEU MD1 . 50269 1 282 . 1 . 1 31 31 LEU HD12 H 1 0.60 0.01 . 1 . . . . . 31 LEU MD1 . 50269 1 283 . 1 . 1 31 31 LEU HD13 H 1 0.60 0.01 . 1 . . . . . 31 LEU MD1 . 50269 1 284 . 1 . 1 31 31 LEU HD21 H 1 -0.64 0.01 . 1 . . . . . 31 LEU MD2 . 50269 1 285 . 1 . 1 31 31 LEU HD22 H 1 -0.64 0.01 . 1 . . . . . 31 LEU MD2 . 50269 1 286 . 1 . 1 31 31 LEU HD23 H 1 -0.64 0.01 . 1 . . . . . 31 LEU MD2 . 50269 1 287 . 1 . 1 31 31 LEU CA C 13 57.53 0.01 . 1 . . . . . 31 LEU CA . 50269 1 288 . 1 . 1 31 31 LEU CB C 13 40.12 0.01 . 1 . . . . . 31 LEU CB . 50269 1 289 . 1 . 1 31 31 LEU CG C 13 26.87 0.01 . 1 . . . . . 31 LEU CG . 50269 1 290 . 1 . 1 31 31 LEU CD1 C 13 23.95 0.01 . 1 . . . . . 31 LEU CD1 . 50269 1 291 . 1 . 1 31 31 LEU CD2 C 13 24.91 0.01 . 1 . . . . . 31 LEU CD2 . 50269 1 292 . 1 . 1 31 31 LEU N N 15 118.1 0.1 . 1 . . . . . 31 LEU N . 50269 1 293 . 1 . 1 32 32 ARG H H 1 8.43 0.01 . 1 . . . . . 32 ARG H . 50269 1 294 . 1 . 1 32 32 ARG HA H 1 3.87 0.01 . 1 . . . . . 32 ARG HA . 50269 1 295 . 1 . 1 32 32 ARG HB2 H 1 1.76 0.01 . 2 . . . . . 32 ARG HB2 . 50269 1 296 . 1 . 1 32 32 ARG HB3 H 1 2.04 0.01 . 2 . . . . . 32 ARG HB3 . 50269 1 297 . 1 . 1 32 32 ARG HG2 H 1 1.30 0.01 . 2 . . . . . 32 ARG HG2 . 50269 1 298 . 1 . 1 32 32 ARG HD2 H 1 2.87 0.01 . 2 . . . . . 32 ARG HD2 . 50269 1 299 . 1 . 1 32 32 ARG HD3 H 1 2.73 0.01 . 2 . . . . . 32 ARG HD3 . 50269 1 300 . 1 . 1 32 32 ARG CA C 13 58.94 0.01 . 1 . . . . . 32 ARG CA . 50269 1 301 . 1 . 1 32 32 ARG CB C 13 28.49 0.01 . 1 . . . . . 32 ARG CB . 50269 1 302 . 1 . 1 32 32 ARG CD C 13 43.61 0.01 . 1 . . . . . 32 ARG CD . 50269 1 303 . 1 . 1 32 32 ARG N N 15 121.9 0.1 . 1 . . . . . 32 ARG N . 50269 1 304 . 1 . 1 33 33 ARG H H 1 7.48 0.01 . 1 . . . . . 33 ARG H . 50269 1 305 . 1 . 1 33 33 ARG HA H 1 3.84 0.01 . 1 . . . . . 33 ARG HA . 50269 1 306 . 1 . 1 33 33 ARG HB2 H 1 1.72 0.01 . 2 . . . . . 33 ARG HB2 . 50269 1 307 . 1 . 1 33 33 ARG HG2 H 1 1.55 0.01 . 2 . . . . . 33 ARG HG2 . 50269 1 308 . 1 . 1 33 33 ARG HD2 H 1 2.80 0.01 . 2 . . . . . 33 ARG HD2 . 50269 1 309 . 1 . 1 33 33 ARG HD3 H 1 3.03 0.01 . 2 . . . . . 33 ARG HD3 . 50269 1 310 . 1 . 1 33 33 ARG CA C 13 58.47 0.01 . 1 . . . . . 33 ARG CA . 50269 1 311 . 1 . 1 33 33 ARG CB C 13 29.52 0.01 . 1 . . . . . 33 ARG CB . 50269 1 312 . 1 . 1 33 33 ARG N N 15 120.3 0.1 . 1 . . . . . 33 ARG N . 50269 1 313 . 1 . 1 34 34 LEU H H 1 7.06 0.01 . 1 . . . . . 34 LEU H . 50269 1 314 . 1 . 1 34 34 LEU HA H 1 4.28 0.01 . 1 . . . . . 34 LEU HA . 50269 1 315 . 1 . 1 34 34 LEU HB2 H 1 1.35 0.01 . 2 . . . . . 34 LEU HB2 . 50269 1 316 . 1 . 1 34 34 LEU HB3 H 1 1.83 0.01 . 2 . . . . . 34 LEU HB3 . 50269 1 317 . 1 . 1 34 34 LEU HG H 1 1.84 0.01 . 1 . . . . . 34 LEU HG . 50269 1 318 . 1 . 1 34 34 LEU HD11 H 1 0.82 0.01 . 2 . . . . . 34 LEU MD1 . 50269 1 319 . 1 . 1 34 34 LEU HD12 H 1 0.82 0.01 . 2 . . . . . 34 LEU MD1 . 50269 1 320 . 1 . 1 34 34 LEU HD13 H 1 0.82 0.01 . 2 . . . . . 34 LEU MD1 . 50269 1 321 . 1 . 1 34 34 LEU HD21 H 1 0.91 0.01 . 2 . . . . . 34 LEU MD2 . 50269 1 322 . 1 . 1 34 34 LEU HD22 H 1 0.91 0.01 . 2 . . . . . 34 LEU MD2 . 50269 1 323 . 1 . 1 34 34 LEU HD23 H 1 0.91 0.01 . 2 . . . . . 34 LEU MD2 . 50269 1 324 . 1 . 1 34 34 LEU CA C 13 53.93 0.01 . 1 . . . . . 34 LEU CA . 50269 1 325 . 1 . 1 34 34 LEU CB C 13 42.55 0.01 . 1 . . . . . 34 LEU CB . 50269 1 326 . 1 . 1 34 34 LEU CG C 13 26.20 0.01 . 1 . . . . . 34 LEU CG . 50269 1 327 . 1 . 1 34 34 LEU CD1 C 13 22.01 0.01 . 2 . . . . . 34 LEU CD1 . 50269 1 328 . 1 . 1 34 34 LEU CD2 C 13 24.40 0.01 . 2 . . . . . 34 LEU CD2 . 50269 1 329 . 1 . 1 34 34 LEU N N 15 125.8 0.1 . 1 . . . . . 34 LEU N . 50269 1 330 . 1 . 1 35 35 GLY H H 1 7.88 0.01 . 1 . . . . . 35 GLY H . 50269 1 331 . 1 . 1 35 35 GLY HA2 H 1 2.96 0.01 . 2 . . . . . 35 GLY HA2 . 50269 1 332 . 1 . 1 35 35 GLY HA3 H 1 3.42 0.01 . 2 . . . . . 35 GLY HA3 . 50269 1 333 . 1 . 1 35 35 GLY CA C 13 44.13 0.01 . 1 . . . . . 35 GLY CA . 50269 1 334 . 1 . 1 35 35 GLY N N 15 114.6 0.1 . 1 . . . . . 35 GLY N . 50269 1 335 . 1 . 1 36 36 VAL H H 1 6.82 0.01 . 1 . . . . . 36 VAL H . 50269 1 336 . 1 . 1 36 36 VAL HA H 1 2.94 0.01 . 1 . . . . . 36 VAL HA . 50269 1 337 . 1 . 1 36 36 VAL HB H 1 1.12 0.01 . 1 . . . . . 36 VAL HB . 50269 1 338 . 1 . 1 36 36 VAL HG11 H 1 0.20 0.01 . 2 . . . . . 36 VAL MG1 . 50269 1 339 . 1 . 1 36 36 VAL HG12 H 1 0.20 0.01 . 2 . . . . . 36 VAL MG1 . 50269 1 340 . 1 . 1 36 36 VAL HG13 H 1 0.20 0.01 . 2 . . . . . 36 VAL MG1 . 50269 1 341 . 1 . 1 36 36 VAL HG21 H 1 0.26 0.01 . 2 . . . . . 36 VAL MG2 . 50269 1 342 . 1 . 1 36 36 VAL HG22 H 1 0.26 0.01 . 2 . . . . . 36 VAL MG2 . 50269 1 343 . 1 . 1 36 36 VAL HG23 H 1 0.26 0.01 . 2 . . . . . 36 VAL MG2 . 50269 1 344 . 1 . 1 36 36 VAL CA C 13 61.1 0.01 . 1 . . . . . 36 VAL CA . 50269 1 345 . 1 . 1 36 36 VAL CB C 13 30.91 0.01 . 1 . . . . . 36 VAL CB . 50269 1 346 . 1 . 1 36 36 VAL CG1 C 13 20.74 0.01 . 2 . . . . . 36 VAL CG1 . 50269 1 347 . 1 . 1 36 36 VAL CG2 C 13 19.62 0.01 . 2 . . . . . 36 VAL CG2 . 50269 1 348 . 1 . 1 36 36 VAL N N 15 120.8 0.1 . 1 . . . . . 36 VAL N . 50269 1 349 . 1 . 1 37 37 LEU H H 1 6.50 0.01 . 1 . . . . . 37 LEU H . 50269 1 350 . 1 . 1 37 37 LEU HA H 1 3.59 0.01 . 1 . . . . . 37 LEU HA . 50269 1 351 . 1 . 1 37 37 LEU HB2 H 1 -0.18 0.01 . 2 . . . . . 37 LEU HB2 . 50269 1 352 . 1 . 1 37 37 LEU HB3 H 1 0.36 0.01 . 2 . . . . . 37 LEU HB3 . 50269 1 353 . 1 . 1 37 37 LEU HG H 1 0.54 0.01 . 1 . . . . . 37 LEU HG . 50269 1 354 . 1 . 1 37 37 LEU HD11 H 1 0.15 0.01 . 2 . . . . . 37 LEU MD1 . 50269 1 355 . 1 . 1 37 37 LEU HD12 H 1 0.15 0.01 . 2 . . . . . 37 LEU MD1 . 50269 1 356 . 1 . 1 37 37 LEU HD13 H 1 0.15 0.01 . 2 . . . . . 37 LEU MD1 . 50269 1 357 . 1 . 1 37 37 LEU HD21 H 1 0.07 0.01 . 2 . . . . . 37 LEU MD2 . 50269 1 358 . 1 . 1 37 37 LEU HD22 H 1 0.07 0.01 . 2 . . . . . 37 LEU MD2 . 50269 1 359 . 1 . 1 37 37 LEU HD23 H 1 0.07 0.01 . 2 . . . . . 37 LEU MD2 . 50269 1 360 . 1 . 1 37 37 LEU CA C 13 52.30 0.01 . 1 . . . . . 37 LEU CA . 50269 1 361 . 1 . 1 37 37 LEU CB C 13 42.63 0.01 . 1 . . . . . 37 LEU CB . 50269 1 362 . 1 . 1 37 37 LEU CG C 13 26.26 0.01 . 1 . . . . . 37 LEU CG . 50269 1 363 . 1 . 1 37 37 LEU CD1 C 13 22.01 0.01 . 2 . . . . . 37 LEU CD1 . 50269 1 364 . 1 . 1 37 37 LEU CD2 C 13 24.40 0.01 . 2 . . . . . 37 LEU CD2 . 50269 1 365 . 1 . 1 37 37 LEU N N 15 125.8 0.1 . 1 . . . . . 37 LEU N . 50269 1 366 . 1 . 1 38 38 TYR H H 1 6.29 0.01 . 1 . . . . . 38 TYR H . 50269 1 367 . 1 . 1 38 38 TYR HA H 1 4.93 0.01 . 1 . . . . . 38 TYR HA . 50269 1 368 . 1 . 1 38 38 TYR HB2 H 1 1.88 0.01 . 2 . . . . . 38 TYR HB2 . 50269 1 369 . 1 . 1 38 38 TYR HB3 H 1 2.04 0.01 . 2 . . . . . 38 TYR HB3 . 50269 1 370 . 1 . 1 38 38 TYR HD1 H 1 6.48 0.01 . 3 . . . . . 38 TYR HD1 . 50269 1 371 . 1 . 1 38 38 TYR CA C 13 55.62 0.01 . 1 . . . . . 38 TYR CA . 50269 1 372 . 1 . 1 38 38 TYR CB C 13 42.90 0.01 . 1 . . . . . 38 TYR CB . 50269 1 373 . 1 . 1 38 38 TYR N N 15 119.2 0.1 . 1 . . . . . 38 TYR N . 50269 1 374 . 1 . 1 39 39 TRP H H 1 8.29 0.01 . 1 . . . . . 39 TRP H . 50269 1 375 . 1 . 1 39 39 TRP HA H 1 4.02 0.01 . 1 . . . . . 39 TRP HA . 50269 1 376 . 1 . 1 39 39 TRP HB2 H 1 2.28 0.01 . 2 . . . . . 39 TRP HB2 . 50269 1 377 . 1 . 1 39 39 TRP HB3 H 1 2.55 0.01 . 2 . . . . . 39 TRP HB3 . 50269 1 378 . 1 . 1 39 39 TRP HD1 H 1 6.77 0.01 . 1 . . . . . 39 TRP HD1 . 50269 1 379 . 1 . 1 39 39 TRP HE1 H 1 9.49 0.01 . 1 . . . . . 39 TRP HE1 . 50269 1 380 . 1 . 1 39 39 TRP HE3 H 1 6.56 0.01 . 1 . . . . . 39 TRP HE3 . 50269 1 381 . 1 . 1 39 39 TRP HZ2 H 1 6.17 0.01 . 1 . . . . . 39 TRP HZ2 . 50269 1 382 . 1 . 1 39 39 TRP HZ3 H 1 6.36 0.01 . 1 . . . . . 39 TRP HZ3 . 50269 1 383 . 1 . 1 39 39 TRP HH2 H 1 6.18 0.01 . 1 . . . . . 39 TRP HH2 . 50269 1 384 . 1 . 1 39 39 TRP CA C 13 57.47 0.01 . 1 . . . . . 39 TRP CA . 50269 1 385 . 1 . 1 39 39 TRP CB C 13 33.67 0.01 . 1 . . . . . 39 TRP CB . 50269 1 386 . 1 . 1 39 39 TRP N N 15 128.5 0.1 . 1 . . . . . 39 TRP N . 50269 1 387 . 1 . 1 39 39 TRP NE1 N 15 127.2 0.1 . 1 . . . . . 39 TRP NE1 . 50269 1 388 . 1 . 1 40 40 LYS H H 1 7.57 0.01 . 1 . . . . . 40 LYS H . 50269 1 389 . 1 . 1 40 40 LYS HA H 1 4.88 0.01 . 1 . . . . . 40 LYS HA . 50269 1 390 . 1 . 1 40 40 LYS HB2 H 1 1.50 0.01 . 2 . . . . . 40 LYS HB2 . 50269 1 391 . 1 . 1 40 40 LYS HB3 H 1 1.66 0.01 . 2 . . . . . 40 LYS HB3 . 50269 1 392 . 1 . 1 40 40 LYS HG2 H 1 1.34 0.01 . 2 . . . . . 40 LYS HG2 . 50269 1 393 . 1 . 1 40 40 LYS CA C 13 54.48 0.01 . 1 . . . . . 40 LYS CA . 50269 1 394 . 1 . 1 40 40 LYS CB C 13 33.76 0.01 . 1 . . . . . 40 LYS CB . 50269 1 395 . 1 . 1 40 40 LYS N N 15 119.7 0.1 . 1 . . . . . 40 LYS N . 50269 1 396 . 1 . 1 41 41 LEU H H 1 9.50 0.01 . 1 . . . . . 41 LEU H . 50269 1 397 . 1 . 1 41 41 LEU HA H 1 4.54 0.01 . 1 . . . . . 41 LEU HA . 50269 1 398 . 1 . 1 41 41 LEU HB2 H 1 1.25 0.01 . 2 . . . . . 41 LEU HB2 . 50269 1 399 . 1 . 1 41 41 LEU HB3 H 1 1.52 0.01 . 2 . . . . . 41 LEU HB3 . 50269 1 400 . 1 . 1 41 41 LEU HG H 1 0.84 0.01 . 1 . . . . . 41 LEU HG . 50269 1 401 . 1 . 1 41 41 LEU HD11 H 1 0.22 0.01 . 1 . . . . . 41 LEU MD1 . 50269 1 402 . 1 . 1 41 41 LEU HD12 H 1 0.22 0.01 . 1 . . . . . 41 LEU MD1 . 50269 1 403 . 1 . 1 41 41 LEU HD13 H 1 0.22 0.01 . 1 . . . . . 41 LEU MD1 . 50269 1 404 . 1 . 1 41 41 LEU HD21 H 1 0.36 0.01 . 1 . . . . . 41 LEU MD2 . 50269 1 405 . 1 . 1 41 41 LEU HD22 H 1 0.36 0.01 . 1 . . . . . 41 LEU MD2 . 50269 1 406 . 1 . 1 41 41 LEU HD23 H 1 0.36 0.01 . 1 . . . . . 41 LEU MD2 . 50269 1 407 . 1 . 1 41 41 LEU CA C 13 53.49 0.01 . 1 . . . . . 41 LEU CA . 50269 1 408 . 1 . 1 41 41 LEU CB C 13 45.63 0.01 . 1 . . . . . 41 LEU CB . 50269 1 409 . 1 . 1 41 41 LEU CG C 13 24.37 0.01 . 1 . . . . . 41 LEU CG . 50269 1 410 . 1 . 1 41 41 LEU CD1 C 13 26.66 0.01 . 1 . . . . . 41 LEU CD1 . 50269 1 411 . 1 . 1 41 41 LEU CD2 C 13 23.96 0.01 . 1 . . . . . 41 LEU CD2 . 50269 1 412 . 1 . 1 41 41 LEU N N 15 131.0 0.1 . 1 . . . . . 41 LEU N . 50269 1 413 . 1 . 1 42 42 ASP H H 1 8.82 0.01 . 1 . . . . . 42 ASP H . 50269 1 414 . 1 . 1 42 42 ASP HA H 1 4.65 0.01 . 1 . . . . . 42 ASP HA . 50269 1 415 . 1 . 1 42 42 ASP HB2 H 1 2.32 0.01 . 2 . . . . . 42 ASP HB2 . 50269 1 416 . 1 . 1 42 42 ASP HB3 H 1 2.80 0.01 . 2 . . . . . 42 ASP HB3 . 50269 1 417 . 1 . 1 42 42 ASP CA C 13 52.50 0.01 . 1 . . . . . 42 ASP CA . 50269 1 418 . 1 . 1 42 42 ASP CB C 13 40.12 0.01 . 1 . . . . . 42 ASP CB . 50269 1 419 . 1 . 1 42 42 ASP N N 15 118.0 0.1 . 1 . . . . . 42 ASP N . 50269 1 420 . 1 . 1 43 43 ALA H H 1 8.46 0.01 . 1 . . . . . 43 ALA H . 50269 1 421 . 1 . 1 43 43 ALA HA H 1 4.55 0.01 . 1 . . . . . 43 ALA HA . 50269 1 422 . 1 . 1 43 43 ALA HB1 H 1 1.38 0.01 . 1 . . . . . 43 ALA MB . 50269 1 423 . 1 . 1 43 43 ALA HB2 H 1 1.38 0.01 . 1 . . . . . 43 ALA MB . 50269 1 424 . 1 . 1 43 43 ALA HB3 H 1 1.38 0.01 . 1 . . . . . 43 ALA MB . 50269 1 425 . 1 . 1 43 43 ALA CA C 13 54.30 0.01 . 1 . . . . . 43 ALA CA . 50269 1 426 . 1 . 1 43 43 ALA CB C 13 19.62 0.01 . 1 . . . . . 43 ALA CB . 50269 1 427 . 1 . 1 43 43 ALA N N 15 131.8 0.1 . 1 . . . . . 43 ALA N . 50269 1 428 . 1 . 1 44 44 ASP H H 1 8.29 0.01 . 1 . . . . . 44 ASP H . 50269 1 429 . 1 . 1 44 44 ASP HA H 1 4.68 0.01 . 1 . . . . . 44 ASP HA . 50269 1 430 . 1 . 1 44 44 ASP HB2 H 1 2.72 0.01 . 2 . . . . . 44 ASP HB2 . 50269 1 431 . 1 . 1 44 44 ASP HB3 H 1 2.72 0.01 . 2 . . . . . 44 ASP HB3 . 50269 1 432 . 1 . 1 44 44 ASP CA C 13 56.56 0.01 . 1 . . . . . 44 ASP CA . 50269 1 433 . 1 . 1 44 44 ASP CB C 13 40.41 0.01 . 1 . . . . . 44 ASP CB . 50269 1 434 . 1 . 1 44 44 ASP N N 15 117.2 0.1 . 1 . . . . . 44 ASP N . 50269 1 435 . 1 . 1 45 45 LYS H H 1 7.60 0.01 . 1 . . . . . 45 LYS H . 50269 1 436 . 1 . 1 45 45 LYS HA H 1 4.48 0.01 . 1 . . . . . 45 LYS HA . 50269 1 437 . 1 . 1 45 45 LYS HB2 H 1 1.55 0.01 . 2 . . . . . 45 LYS HB2 . 50269 1 438 . 1 . 1 45 45 LYS HB3 H 1 1.61 0.01 . 2 . . . . . 45 LYS HB3 . 50269 1 439 . 1 . 1 45 45 LYS HE2 H 1 2.86 0.01 . 2 . . . . . 45 LYS HE2 . 50269 1 440 . 1 . 1 45 45 LYS CA C 13 55.13 0.01 . 1 . . . . . 45 LYS CA . 50269 1 441 . 1 . 1 45 45 LYS CB C 13 32.61 0.01 . 1 . . . . . 45 LYS CB . 50269 1 442 . 1 . 1 45 45 LYS N N 15 118.1 0.1 . 1 . . . . . 45 LYS N . 50269 1 443 . 1 . 1 46 46 TYR H H 1 6.80 0.01 . 1 . . . . . 46 TYR H . 50269 1 444 . 1 . 1 46 46 TYR HA H 1 4.05 0.01 . 1 . . . . . 46 TYR HA . 50269 1 445 . 1 . 1 46 46 TYR HB2 H 1 2.92 0.01 . 2 . . . . . 46 TYR HB2 . 50269 1 446 . 1 . 1 46 46 TYR HB3 H 1 3.14 0.01 . 2 . . . . . 46 TYR HB3 . 50269 1 447 . 1 . 1 46 46 TYR HD2 H 1 6.88 0.01 . 3 . . . . . 46 TYR HD2 . 50269 1 448 . 1 . 1 46 46 TYR HE1 H 1 6.68 0.01 . 3 . . . . . 46 TYR HE1 . 50269 1 449 . 1 . 1 46 46 TYR CA C 13 60.79 0.01 . 1 . . . . . 46 TYR CA . 50269 1 450 . 1 . 1 46 46 TYR CB C 13 37.49 0.01 . 1 . . . . . 46 TYR CB . 50269 1 451 . 1 . 1 46 46 TYR N N 15 117.3 0.1 . 1 . . . . . 46 TYR N . 50269 1 452 . 1 . 1 47 47 GLU H H 1 7.69 0.01 . 1 . . . . . 47 GLU H . 50269 1 453 . 1 . 1 47 47 GLU HA H 1 3.60 0.01 . 1 . . . . . 47 GLU HA . 50269 1 454 . 1 . 1 47 47 GLU HB2 H 1 1.31 0.01 . 2 . . . . . 47 GLU HB2 . 50269 1 455 . 1 . 1 47 47 GLU HB3 H 1 1.66 0.01 . 2 . . . . . 47 GLU HB3 . 50269 1 456 . 1 . 1 47 47 GLU HG2 H 1 2.59 0.01 . 2 . . . . . 47 GLU HG2 . 50269 1 457 . 1 . 1 47 47 GLU CA C 13 58.32 0.01 . 1 . . . . . 47 GLU CA . 50269 1 458 . 1 . 1 47 47 GLU CB C 13 29.69 0.01 . 1 . . . . . 47 GLU CB . 50269 1 459 . 1 . 1 47 47 GLU N N 15 121.1 0.1 . 1 . . . . . 47 GLU N . 50269 1 460 . 1 . 1 48 48 ASN H H 1 7.90 0.01 . 1 . . . . . 48 ASN H . 50269 1 461 . 1 . 1 48 48 ASN HA H 1 4.61 0.01 . 1 . . . . . 48 ASN HA . 50269 1 462 . 1 . 1 48 48 ASN HB2 H 1 2.51 0.01 . 2 . . . . . 48 ASN HB2 . 50269 1 463 . 1 . 1 48 48 ASN HB3 H 1 2.71 0.01 . 2 . . . . . 48 ASN HB3 . 50269 1 464 . 1 . 1 48 48 ASN CA C 13 52.75 0.01 . 1 . . . . . 48 ASN CA . 50269 1 465 . 1 . 1 48 48 ASN CB C 13 38.42 0.01 . 1 . . . . . 48 ASN CB . 50269 1 466 . 1 . 1 48 48 ASN N N 15 116.7 0.1 . 1 . . . . . 48 ASN N . 50269 1 467 . 1 . 1 49 49 ASP H H 1 8.52 0.01 . 1 . . . . . 49 ASP H . 50269 1 468 . 1 . 1 49 49 ASP HA H 1 4.98 0.01 . 1 . . . . . 49 ASP HA . 50269 1 469 . 1 . 1 49 49 ASP HB2 H 1 2.64 0.01 . 2 . . . . . 49 ASP HB2 . 50269 1 470 . 1 . 1 49 49 ASP HB3 H 1 2.79 0.01 . 2 . . . . . 49 ASP HB3 . 50269 1 471 . 1 . 1 49 49 ASP CA C 13 50.80 0.01 . 1 . . . . . 49 ASP CA . 50269 1 472 . 1 . 1 49 49 ASP CB C 13 42.61 0.01 . 1 . . . . . 49 ASP CB . 50269 1 473 . 1 . 1 49 49 ASP N N 15 122.5 0.1 . 1 . . . . . 49 ASP N . 50269 1 474 . 1 . 1 50 50 PRO HA H 1 4.16 0.01 . 1 . . . . . 50 PRO HA . 50269 1 475 . 1 . 1 50 50 PRO HB2 H 1 1.82 0.01 . 2 . . . . . 50 PRO HB2 . 50269 1 476 . 1 . 1 50 50 PRO HB3 H 1 2.27 0.01 . 2 . . . . . 50 PRO HB3 . 50269 1 477 . 1 . 1 50 50 PRO HG2 H 1 1.91 0.01 . 2 . . . . . 50 PRO HG2 . 50269 1 478 . 1 . 1 50 50 PRO HG3 H 1 1.97 0.01 . 2 . . . . . 50 PRO HG3 . 50269 1 479 . 1 . 1 50 50 PRO HD2 H 1 3.89 0.01 . 2 . . . . . 50 PRO HD2 . 50269 1 480 . 1 . 1 50 50 PRO HD3 H 1 3.96 0.01 . 2 . . . . . 50 PRO HD3 . 50269 1 481 . 1 . 1 50 50 PRO CA C 13 64.33 0.01 . 1 . . . . . 50 PRO CA . 50269 1 482 . 1 . 1 50 50 PRO CB C 13 32.08 0.01 . 1 . . . . . 50 PRO CB . 50269 1 483 . 1 . 1 50 50 PRO CG C 13 27.19 0.01 . 1 . . . . . 50 PRO CG . 50269 1 484 . 1 . 1 50 50 PRO CD C 13 51.29 0.01 . 1 . . . . . 50 PRO CD . 50269 1 485 . 1 . 1 51 51 GLU H H 1 8.26 0.01 . 1 . . . . . 51 GLU H . 50269 1 486 . 1 . 1 51 51 GLU HA H 1 3.88 0.01 . 1 . . . . . 51 GLU HA . 50269 1 487 . 1 . 1 51 51 GLU HB2 H 1 2.02 0.01 . 2 . . . . . 51 GLU HB2 . 50269 1 488 . 1 . 1 51 51 GLU HG2 H 1 2.17 0.01 . 2 . . . . . 51 GLU HG2 . 50269 1 489 . 1 . 1 51 51 GLU CA C 13 58.95 0.01 . 1 . . . . . 51 GLU CA . 50269 1 490 . 1 . 1 51 51 GLU CB C 13 32.58 0.01 . 1 . . . . . 51 GLU CB . 50269 1 491 . 1 . 1 51 51 GLU N N 15 119.2 0.1 . 1 . . . . . 51 GLU N . 50269 1 492 . 1 . 1 52 52 LEU H H 1 6.55 0.01 . 1 . . . . . 52 LEU H . 50269 1 493 . 1 . 1 52 52 LEU HA H 1 3.58 0.01 . 1 . . . . . 52 LEU HA . 50269 1 494 . 1 . 1 52 52 LEU HB2 H 1 1.20 0.01 . 2 . . . . . 52 LEU HB2 . 50269 1 495 . 1 . 1 52 52 LEU HB3 H 1 1.92 0.01 . 2 . . . . . 52 LEU HB3 . 50269 1 496 . 1 . 1 52 52 LEU HG H 1 1.06 0.01 . 1 . . . . . 52 LEU HG . 50269 1 497 . 1 . 1 52 52 LEU HD11 H 1 0.32 0.01 . 2 . . . . . 52 LEU MD1 . 50269 1 498 . 1 . 1 52 52 LEU HD12 H 1 0.32 0.01 . 2 . . . . . 52 LEU MD1 . 50269 1 499 . 1 . 1 52 52 LEU HD13 H 1 0.32 0.01 . 2 . . . . . 52 LEU MD1 . 50269 1 500 . 1 . 1 52 52 LEU HD21 H 1 1.45 0.01 . 2 . . . . . 52 LEU MD2 . 50269 1 501 . 1 . 1 52 52 LEU HD22 H 1 1.45 0.01 . 2 . . . . . 52 LEU MD2 . 50269 1 502 . 1 . 1 52 52 LEU HD23 H 1 1.45 0.01 . 2 . . . . . 52 LEU MD2 . 50269 1 503 . 1 . 1 52 52 LEU CA C 13 57.13 0.01 . 1 . . . . . 52 LEU CA . 50269 1 504 . 1 . 1 52 52 LEU CB C 13 40.90 0.01 . 1 . . . . . 52 LEU CB . 50269 1 505 . 1 . 1 52 52 LEU CG C 13 28.85 0.01 . 1 . . . . . 52 LEU CG . 50269 1 506 . 1 . 1 52 52 LEU CD1 C 13 21.59 0.01 . 2 . . . . . 52 LEU CD1 . 50269 1 507 . 1 . 1 52 52 LEU CD2 C 13 26.17 0.01 . 2 . . . . . 52 LEU CD2 . 50269 1 508 . 1 . 1 52 52 LEU N N 15 121.1 0.01 . 1 . . . . . 52 LEU N . 50269 1 509 . 1 . 1 53 53 GLU H H 1 7.814 0.01 . 1 . . . . . 53 GLU H . 50269 1 510 . 1 . 1 53 53 GLU HA H 1 3.611 0.01 . 1 . . . . . 53 GLU HA . 50269 1 511 . 1 . 1 53 53 GLU HB2 H 1 2.151 0.01 . 2 . . . . . 53 GLU HB2 . 50269 1 512 . 1 . 1 53 53 GLU HG2 H 1 2.33 0.01 . 2 . . . . . 53 GLU HG2 . 50269 1 513 . 1 . 1 53 53 GLU CA C 13 59.10 0.01 . 1 . . . . . 53 GLU CA . 50269 1 514 . 1 . 1 53 53 GLU CB C 13 28.75 0.01 . 1 . . . . . 53 GLU CB . 50269 1 515 . 1 . 1 53 53 GLU N N 15 117.2 0.1 . 1 . . . . . 53 GLU N . 50269 1 516 . 1 . 1 54 54 LYS H H 1 7.55 0.01 . 1 . . . . . 54 LYS H . 50269 1 517 . 1 . 1 54 54 LYS HA H 1 3.67 0.01 . 1 . . . . . 54 LYS HA . 50269 1 518 . 1 . 1 54 54 LYS HB2 H 1 1.69 0.01 . 2 . . . . . 54 LYS HB2 . 50269 1 519 . 1 . 1 54 54 LYS HB3 H 1 1.77 0.01 . 2 . . . . . 54 LYS HB3 . 50269 1 520 . 1 . 1 54 54 LYS HG2 H 1 1.04 0.01 . 2 . . . . . 54 LYS HG2 . 50269 1 521 . 1 . 1 54 54 LYS HG3 H 1 1.25 0.01 . 2 . . . . . 54 LYS HG3 . 50269 1 522 . 1 . 1 54 54 LYS HD2 H 1 1.47 0.01 . 2 . . . . . 54 LYS HD2 . 50269 1 523 . 1 . 1 54 54 LYS HE2 H 1 2.75 0.01 . 2 . . . . . 54 LYS HE2 . 50269 1 524 . 1 . 1 54 54 LYS HE3 H 1 2.81 0.01 . 2 . . . . . 54 LYS HE3 . 50269 1 525 . 1 . 1 54 54 LYS CA C 13 59.76 0.01 . 1 . . . . . 54 LYS CA . 50269 1 526 . 1 . 1 54 54 LYS CB C 13 32.47 0.01 . 1 . . . . . 54 LYS CB . 50269 1 527 . 1 . 1 54 54 LYS CG C 13 24.44 0.01 . 1 . . . . . 54 LYS CG . 50269 1 528 . 1 . 1 54 54 LYS CE C 13 41.93 0.01 . 1 . . . . . 54 LYS CE . 50269 1 529 . 1 . 1 54 54 LYS N N 15 120.6 0.1 . 1 . . . . . 54 LYS N . 50269 1 530 . 1 . 1 55 55 ILE H H 1 7.11 0.01 . 1 . . . . . 55 ILE H . 50269 1 531 . 1 . 1 55 55 ILE HA H 1 3.12 0.01 . 1 . . . . . 55 ILE HA . 50269 1 532 . 1 . 1 55 55 ILE HB H 1 1.01 0.01 . 1 . . . . . 55 ILE HB . 50269 1 533 . 1 . 1 55 55 ILE HG12 H 1 1.14 0.01 . 2 . . . . . 55 ILE HG12 . 50269 1 534 . 1 . 1 55 55 ILE HG13 H 1 0.03 0.01 . 2 . . . . . 55 ILE HG13 . 50269 1 535 . 1 . 1 55 55 ILE HG21 H 1 -0.46 0.01 . 1 . . . . . 55 ILE MG . 50269 1 536 . 1 . 1 55 55 ILE HG22 H 1 -0.46 0.01 . 1 . . . . . 55 ILE MG . 50269 1 537 . 1 . 1 55 55 ILE HG23 H 1 -0.46 0.01 . 1 . . . . . 55 ILE MG . 50269 1 538 . 1 . 1 55 55 ILE HD11 H 1 -0.42 0.01 . 1 . . . . . 55 ILE MD . 50269 1 539 . 1 . 1 55 55 ILE HD12 H 1 -0.42 0.01 . 1 . . . . . 55 ILE MD . 50269 1 540 . 1 . 1 55 55 ILE HD13 H 1 -0.42 0.01 . 1 . . . . . 55 ILE MD . 50269 1 541 . 1 . 1 55 55 ILE CA C 13 64.92 0.01 . 1 . . . . . 55 ILE CA . 50269 1 542 . 1 . 1 55 55 ILE CB C 13 38.54 0.01 . 1 . . . . . 55 ILE CB . 50269 1 543 . 1 . 1 55 55 ILE CG1 C 13 28.73 0.01 . 1 . . . . . 55 ILE CG1 . 50269 1 544 . 1 . 1 55 55 ILE CG2 C 13 16.57 0.01 . 1 . . . . . 55 ILE CG2 . 50269 1 545 . 1 . 1 55 55 ILE CD1 C 13 14.21 0.01 . 1 . . . . . 55 ILE CD1 . 50269 1 546 . 1 . 1 55 55 ILE N N 15 120.7 0.1 . 1 . . . . . 55 ILE N . 50269 1 547 . 1 . 1 56 56 ARG H H 1 8.21 0.01 . 1 . . . . . 56 ARG H . 50269 1 548 . 1 . 1 56 56 ARG HA H 1 3.33 0.01 . 1 . . . . . 56 ARG HA . 50269 1 549 . 1 . 1 56 56 ARG HB2 H 1 1.70 0.01 . 2 . . . . . 56 ARG HB2 . 50269 1 550 . 1 . 1 56 56 ARG HB3 H 1 1.96 0.01 . 2 . . . . . 56 ARG HB3 . 50269 1 551 . 1 . 1 56 56 ARG HD2 H 1 2.73 0.01 . 2 . . . . . 56 ARG HD2 . 50269 1 552 . 1 . 1 56 56 ARG HD3 H 1 2.90 0.01 . 2 . . . . . 56 ARG HD3 . 50269 1 553 . 1 . 1 56 56 ARG CA C 13 60.29 0.01 . 1 . . . . . 56 ARG CA . 50269 1 554 . 1 . 1 56 56 ARG CB C 13 29.70 0.01 . 1 . . . . . 56 ARG CB . 50269 1 555 . 1 . 1 56 56 ARG N N 15 114.9 0.1 . 1 . . . . . 56 ARG N . 50269 1 556 . 1 . 1 57 57 ARG H H 1 7.95 0.01 . 1 . . . . . 57 ARG H . 50269 1 557 . 1 . 1 57 57 ARG HA H 1 3.81 0.01 . 1 . . . . . 57 ARG HA . 50269 1 558 . 1 . 1 57 57 ARG HB2 H 1 1.69 0.01 . 2 . . . . . 57 ARG HB2 . 50269 1 559 . 1 . 1 57 57 ARG HB3 H 1 1.06 0.01 . 2 . . . . . 57 ARG HB3 . 50269 1 560 . 1 . 1 57 57 ARG HG2 H 1 1.29 0.01 . 2 . . . . . 57 ARG HG2 . 50269 1 561 . 1 . 1 57 57 ARG HD2 H 1 2.92 0.01 . 2 . . . . . 57 ARG HD2 . 50269 1 562 . 1 . 1 57 57 ARG HD3 H 1 3.01 0.01 . 2 . . . . . 57 ARG HD3 . 50269 1 563 . 1 . 1 57 57 ARG CA C 13 58.70 0.01 . 1 . . . . . 57 ARG CA . 50269 1 564 . 1 . 1 57 57 ARG CB C 13 29.91 0.01 . 1 . . . . . 57 ARG CB . 50269 1 565 . 1 . 1 57 57 ARG N N 15 118.9 0.1 . 1 . . . . . 57 ARG N . 50269 1 566 . 1 . 1 58 58 GLU H H 1 8.08 0.01 . 1 . . . . . 58 GLU H . 50269 1 567 . 1 . 1 58 58 GLU HA H 1 3.63 0.01 . 1 . . . . . 58 GLU HA . 50269 1 568 . 1 . 1 58 58 GLU HB2 H 1 1.39 0.01 . 2 . . . . . 58 GLU HB2 . 50269 1 569 . 1 . 1 58 58 GLU HG2 H 1 2.65 0.01 . 2 . . . . . 58 GLU HG2 . 50269 1 570 . 1 . 1 58 58 GLU CA C 13 58.90 0.01 . 1 . . . . . 58 GLU CA . 50269 1 571 . 1 . 1 58 58 GLU CB C 13 27.14 0.01 . 1 . . . . . 58 GLU CB . 50269 1 572 . 1 . 1 58 58 GLU N N 15 119.7 0.1 . 1 . . . . . 58 GLU N . 50269 1 573 . 1 . 1 59 59 ARG H H 1 7.31 0.01 . 1 . . . . . 59 ARG H . 50269 1 574 . 1 . 1 59 59 ARG HA H 1 3.67 0.01 . 1 . . . . . 59 ARG HA . 50269 1 575 . 1 . 1 59 59 ARG HB2 H 1 0.65 0.01 . 2 . . . . . 59 ARG HB2 . 50269 1 576 . 1 . 1 59 59 ARG HB3 H 1 0.91 0.01 . 2 . . . . . 59 ARG HB3 . 50269 1 577 . 1 . 1 59 59 ARG HG2 H 1 -0.35 0.01 . 2 . . . . . 59 ARG HG2 . 50269 1 578 . 1 . 1 59 59 ARG HD2 H 1 3.11 0.01 . 2 . . . . . 59 ARG HD2 . 50269 1 579 . 1 . 1 59 59 ARG HD3 H 1 2.83 0.01 . 2 . . . . . 59 ARG HD3 . 50269 1 580 . 1 . 1 59 59 ARG CA C 13 54.23 0.01 . 1 . . . . . 59 ARG CA . 50269 1 581 . 1 . 1 59 59 ARG CB C 13 30.01 0.01 . 1 . . . . . 59 ARG CB . 50269 1 582 . 1 . 1 59 59 ARG CG C 13 27.41 0.01 . 1 . . . . . 59 ARG CG . 50269 1 583 . 1 . 1 59 59 ARG N N 15 113.8 0.1 . 1 . . . . . 59 ARG N . 50269 1 584 . 1 . 1 60 60 ASN H H 1 6.90 0.01 . 1 . . . . . 60 ASN H . 50269 1 585 . 1 . 1 60 60 ASN HA H 1 4.03 0.01 . 1 . . . . . 60 ASN HA . 50269 1 586 . 1 . 1 60 60 ASN HB2 H 1 2.54 0.01 . 2 . . . . . 60 ASN HB2 . 50269 1 587 . 1 . 1 60 60 ASN HB3 H 1 3.05 0.01 . 2 . . . . . 60 ASN HB3 . 50269 1 588 . 1 . 1 60 60 ASN CA C 13 54.09 0.01 . 1 . . . . . 60 ASN CA . 50269 1 589 . 1 . 1 60 60 ASN CB C 13 36.69 0.01 . 1 . . . . . 60 ASN CB . 50269 1 590 . 1 . 1 60 60 ASN N N 15 114.5 0.1 . 1 . . . . . 60 ASN N . 50269 1 591 . 1 . 1 61 61 TYR H H 1 8.09 0.01 . 1 . . . . . 61 TYR H . 50269 1 592 . 1 . 1 61 61 TYR HA H 1 4.99 0.01 . 1 . . . . . 61 TYR HA . 50269 1 593 . 1 . 1 61 61 TYR HB2 H 1 1.70 0.01 . 2 . . . . . 61 TYR HB2 . 50269 1 594 . 1 . 1 61 61 TYR HB3 H 1 2.80 0.01 . 2 . . . . . 61 TYR HB3 . 50269 1 595 . 1 . 1 61 61 TYR HD1 H 1 6.13 0.01 . 3 . . . . . 61 TYR HD1 . 50269 1 596 . 1 . 1 61 61 TYR HE1 H 1 5.66 0.01 . 3 . . . . . 61 TYR HE1 . 50269 1 597 . 1 . 1 61 61 TYR CA C 13 51.45 0.01 . 1 . . . . . 61 TYR CA . 50269 1 598 . 1 . 1 61 61 TYR CB C 13 40.07 0.01 . 1 . . . . . 61 TYR CB . 50269 1 599 . 1 . 1 61 61 TYR N N 15 117.1 0.1 . 1 . . . . . 61 TYR N . 50269 1 600 . 1 . 1 62 62 SER H H 1 8.36 0.01 . 1 . . . . . 62 SER H . 50269 1 601 . 1 . 1 62 62 SER HA H 1 4.17 0.01 . 1 . . . . . 62 SER HA . 50269 1 602 . 1 . 1 62 62 SER HB2 H 1 3.74 0.01 . 2 . . . . . 62 SER HB2 . 50269 1 603 . 1 . 1 62 62 SER CA C 13 59.30 0.01 . 1 . . . . . 62 SER CA . 50269 1 604 . 1 . 1 62 62 SER CB C 13 63.93 0.01 . 1 . . . . . 62 SER CB . 50269 1 605 . 1 . 1 62 62 SER N N 15 120.2 0.1 . 1 . . . . . 62 SER N . 50269 1 606 . 1 . 1 63 63 TRP H H 1 8.63 0.01 . 1 . . . . . 63 TRP H . 50269 1 607 . 1 . 1 63 63 TRP HA H 1 4.76 0.01 . 1 . . . . . 63 TRP HA . 50269 1 608 . 1 . 1 63 63 TRP HB2 H 1 3.09 0.01 . 2 . . . . . 63 TRP HB2 . 50269 1 609 . 1 . 1 63 63 TRP HB3 H 1 3.53 0.01 . 2 . . . . . 63 TRP HB3 . 50269 1 610 . 1 . 1 63 63 TRP HD1 H 1 6.77 0.01 . 1 . . . . . 63 TRP HD1 . 50269 1 611 . 1 . 1 63 63 TRP HE1 H 1 10.3 0.01 . 1 . . . . . 63 TRP HE1 . 50269 1 612 . 1 . 1 63 63 TRP HE3 H 1 6.53 0.01 . 1 . . . . . 63 TRP HE3 . 50269 1 613 . 1 . 1 63 63 TRP HZ2 H 1 7.94 0.01 . 1 . . . . . 63 TRP HZ2 . 50269 1 614 . 1 . 1 63 63 TRP HZ3 H 1 7.34 0.01 . 1 . . . . . 63 TRP HZ3 . 50269 1 615 . 1 . 1 63 63 TRP CA C 13 58.15 0.01 . 1 . . . . . 63 TRP CA . 50269 1 616 . 1 . 1 63 63 TRP CB C 13 34.13 0.01 . 1 . . . . . 63 TRP CB . 50269 1 617 . 1 . 1 63 63 TRP N N 15 128.1 0.1 . 1 . . . . . 63 TRP N . 50269 1 618 . 1 . 1 63 63 TRP NE1 N 15 129.7 0.1 . 1 . . . . . 63 TRP NE1 . 50269 1 619 . 1 . 1 64 64 MET H H 1 7.29 0.01 . 1 . . . . . 64 MET H . 50269 1 620 . 1 . 1 64 64 MET HA H 1 5.78 0.01 . 1 . . . . . 64 MET HA . 50269 1 621 . 1 . 1 64 64 MET HB2 H 1 1.95 0.01 . 2 . . . . . 64 MET HB2 . 50269 1 622 . 1 . 1 64 64 MET HG2 H 1 2.80 0.01 . 2 . . . . . 64 MET HG2 . 50269 1 623 . 1 . 1 64 64 MET HG3 H 1 2.51 0.01 . 2 . . . . . 64 MET HG3 . 50269 1 624 . 1 . 1 64 64 MET HE1 H 1 1.94 0.01 . 1 . . . . . 64 MET ME . 50269 1 625 . 1 . 1 64 64 MET HE2 H 1 1.94 0.01 . 1 . . . . . 64 MET ME . 50269 1 626 . 1 . 1 64 64 MET HE3 H 1 1.94 0.01 . 1 . . . . . 64 MET ME . 50269 1 627 . 1 . 1 64 64 MET CA C 13 54.97 0.01 . 1 . . . . . 64 MET CA . 50269 1 628 . 1 . 1 64 64 MET CB C 13 36.70 0.01 . 1 . . . . . 64 MET CB . 50269 1 629 . 1 . 1 64 64 MET CE C 13 14.15 0.01 . 1 . . . . . 64 MET CE . 50269 1 630 . 1 . 1 64 64 MET N N 15 124.6 0.1 . 1 . . . . . 64 MET N . 50269 1 631 . 1 . 1 65 65 ASP H H 1 9.12 0.01 . 1 . . . . . 65 ASP H . 50269 1 632 . 1 . 1 65 65 ASP HA H 1 4.34 0.01 . 1 . . . . . 65 ASP HA . 50269 1 633 . 1 . 1 65 65 ASP HB2 H 1 2.96 0.01 . 2 . . . . . 65 ASP HB2 . 50269 1 634 . 1 . 1 65 65 ASP HB3 H 1 3.14 0.01 . 2 . . . . . 65 ASP HB3 . 50269 1 635 . 1 . 1 65 65 ASP CA C 13 53.72 0.01 . 1 . . . . . 65 ASP CA . 50269 1 636 . 1 . 1 65 65 ASP CB C 13 42.87 0.01 . 1 . . . . . 65 ASP CB . 50269 1 637 . 1 . 1 65 65 ASP N N 15 122.7 0.1 . 1 . . . . . 65 ASP N . 50269 1 638 . 1 . 1 66 66 ILE H H 1 7.92 0.01 . 1 . . . . . 66 ILE H . 50269 1 639 . 1 . 1 66 66 ILE HA H 1 5.10 0.01 . 1 . . . . . 66 ILE HA . 50269 1 640 . 1 . 1 66 66 ILE HB H 1 1.59 0.01 . 1 . . . . . 66 ILE HB . 50269 1 641 . 1 . 1 66 66 ILE HG12 H 1 1.67 0.01 . 2 . . . . . 66 ILE HG12 . 50269 1 642 . 1 . 1 66 66 ILE HG21 H 1 0.62 0.01 . 1 . . . . . 66 ILE MG . 50269 1 643 . 1 . 1 66 66 ILE HG22 H 1 0.62 0.01 . 1 . . . . . 66 ILE MG . 50269 1 644 . 1 . 1 66 66 ILE HG23 H 1 0.62 0.01 . 1 . . . . . 66 ILE MG . 50269 1 645 . 1 . 1 66 66 ILE HD11 H 1 0.72 0.01 . 1 . . . . . 66 ILE MD . 50269 1 646 . 1 . 1 66 66 ILE HD12 H 1 0.72 0.01 . 1 . . . . . 66 ILE MD . 50269 1 647 . 1 . 1 66 66 ILE HD13 H 1 0.72 0.01 . 1 . . . . . 66 ILE MD . 50269 1 648 . 1 . 1 66 66 ILE CA C 13 60.79 0.01 . 1 . . . . . 66 ILE CA . 50269 1 649 . 1 . 1 66 66 ILE CB C 13 41.42 0.01 . 1 . . . . . 66 ILE CB . 50269 1 650 . 1 . 1 66 66 ILE CG1 C 13 27.61 0.01 . 1 . . . . . 66 ILE CG1 . 50269 1 651 . 1 . 1 66 66 ILE CG2 C 13 17.68 0.01 . 1 . . . . . 66 ILE CG2 . 50269 1 652 . 1 . 1 66 66 ILE CD1 C 13 13.99 0.01 . 1 . . . . . 66 ILE CD1 . 50269 1 653 . 1 . 1 66 66 ILE N N 15 116.2 0.1 . 1 . . . . . 66 ILE N . 50269 1 654 . 1 . 1 67 67 ILE H H 1 9.59 0.01 . 1 . . . . . 67 ILE H . 50269 1 655 . 1 . 1 67 67 ILE HA H 1 4.96 0.01 . 1 . . . . . 67 ILE HA . 50269 1 656 . 1 . 1 67 67 ILE HB H 1 2.00 0.01 . 1 . . . . . 67 ILE HB . 50269 1 657 . 1 . 1 67 67 ILE HG12 H 1 1.83 0.01 . 2 . . . . . 67 ILE HG12 . 50269 1 658 . 1 . 1 67 67 ILE HG21 H 1 0.62 0.01 . 1 . . . . . 67 ILE MG . 50269 1 659 . 1 . 1 67 67 ILE HG22 H 1 0.62 0.01 . 1 . . . . . 67 ILE MG . 50269 1 660 . 1 . 1 67 67 ILE HG23 H 1 0.62 0.01 . 1 . . . . . 67 ILE MG . 50269 1 661 . 1 . 1 67 67 ILE HD11 H 1 1.20 0.01 . 1 . . . . . 67 ILE MD . 50269 1 662 . 1 . 1 67 67 ILE HD12 H 1 1.20 0.01 . 1 . . . . . 67 ILE MD . 50269 1 663 . 1 . 1 67 67 ILE HD13 H 1 1.20 0.01 . 1 . . . . . 67 ILE MD . 50269 1 664 . 1 . 1 67 67 ILE CA C 13 59.39 0.01 . 1 . . . . . 67 ILE CA . 50269 1 665 . 1 . 1 67 67 ILE CB C 13 42.29 0.01 . 1 . . . . . 67 ILE CB . 50269 1 666 . 1 . 1 67 67 ILE CG1 C 13 30.54 0.01 . 1 . . . . . 67 ILE CG1 . 50269 1 667 . 1 . 1 67 67 ILE CG2 C 13 17.12 0.01 . 1 . . . . . 67 ILE CG2 . 50269 1 668 . 1 . 1 67 67 ILE CD1 C 13 14.18 0.01 . 1 . . . . . 67 ILE CD1 . 50269 1 669 . 1 . 1 67 67 ILE N N 15 126.3 0.1 . 1 . . . . . 67 ILE N . 50269 1 670 . 1 . 1 68 68 THR H H 1 8.35 0.01 . 1 . . . . . 68 THR H . 50269 1 671 . 1 . 1 68 68 THR HA H 1 4.69 0.01 . 1 . . . . . 68 THR HA . 50269 1 672 . 1 . 1 68 68 THR HB H 1 3.96 0.01 . 1 . . . . . 68 THR HB . 50269 1 673 . 1 . 1 68 68 THR HG21 H 1 1.22 0.01 . 1 . . . . . 68 THR MG . 50269 1 674 . 1 . 1 68 68 THR HG22 H 1 1.22 0.01 . 1 . . . . . 68 THR MG . 50269 1 675 . 1 . 1 68 68 THR HG23 H 1 1.22 0.01 . 1 . . . . . 68 THR MG . 50269 1 676 . 1 . 1 68 68 THR CA C 13 62.67 0.01 . 1 . . . . . 68 THR CA . 50269 1 677 . 1 . 1 68 68 THR CB C 13 69.04 0.01 . 1 . . . . . 68 THR CB . 50269 1 678 . 1 . 1 68 68 THR CG2 C 13 17.04 0.01 . 1 . . . . . 68 THR CG2 . 50269 1 679 . 1 . 1 68 68 THR N N 15 120.5 0.1 . 1 . . . . . 68 THR N . 50269 1 680 . 1 . 1 69 69 ILE H H 1 9.45 0.01 . 1 . . . . . 69 ILE H . 50269 1 681 . 1 . 1 69 69 ILE HA H 1 4.06 0.01 . 1 . . . . . 69 ILE HA . 50269 1 682 . 1 . 1 69 69 ILE HB H 1 2.25 0.01 . 1 . . . . . 69 ILE HB . 50269 1 683 . 1 . 1 69 69 ILE HG12 H 1 0.89 0.01 . 2 . . . . . 69 ILE HG12 . 50269 1 684 . 1 . 1 69 69 ILE HG21 H 1 0.99 0.01 . 1 . . . . . 69 ILE MG . 50269 1 685 . 1 . 1 69 69 ILE HG22 H 1 0.99 0.01 . 1 . . . . . 69 ILE MG . 50269 1 686 . 1 . 1 69 69 ILE HG23 H 1 0.99 0.01 . 1 . . . . . 69 ILE MG . 50269 1 687 . 1 . 1 69 69 ILE HD11 H 1 0.84 0.01 . 1 . . . . . 69 ILE MD . 50269 1 688 . 1 . 1 69 69 ILE HD12 H 1 0.84 0.01 . 1 . . . . . 69 ILE MD . 50269 1 689 . 1 . 1 69 69 ILE HD13 H 1 0.84 0.01 . 1 . . . . . 69 ILE MD . 50269 1 690 . 1 . 1 69 69 ILE CA C 13 61.06 0.01 . 1 . . . . . 69 ILE CA . 50269 1 691 . 1 . 1 69 69 ILE CB C 13 38.07 0.01 . 1 . . . . . 69 ILE CB . 50269 1 692 . 1 . 1 69 69 ILE CG1 C 13 26.89 0.01 . 1 . . . . . 69 ILE CG1 . 50269 1 693 . 1 . 1 69 69 ILE CG2 C 13 18.62 0.01 . 1 . . . . . 69 ILE CG2 . 50269 1 694 . 1 . 1 69 69 ILE CD1 C 13 13.75 0.01 . 1 . . . . . 69 ILE CD1 . 50269 1 695 . 1 . 1 69 69 ILE N N 15 128.6 0.1 . 1 . . . . . 69 ILE N . 50269 1 696 . 1 . 1 70 70 CYS H H 1 7.01 0.01 . 1 . . . . . 70 CYS H . 50269 1 697 . 1 . 1 70 70 CYS HA H 1 4.68 0.01 . 1 . . . . . 70 CYS HA . 50269 1 698 . 1 . 1 70 70 CYS HB2 H 1 3.36 0.01 . 2 . . . . . 70 CYS HB2 . 50269 1 699 . 1 . 1 70 70 CYS HB3 H 1 3.66 0.01 . 2 . . . . . 70 CYS HB3 . 50269 1 700 . 1 . 1 70 70 CYS CA C 13 56.60 0.01 . 1 . . . . . 70 CYS CA . 50269 1 701 . 1 . 1 70 70 CYS CB C 13 29.27 0.01 . 1 . . . . . 70 CYS CB . 50269 1 702 . 1 . 1 70 70 CYS N N 15 116.7 0.1 . 1 . . . . . 70 CYS N . 50269 1 703 . 1 . 1 71 71 LYS H H 1 8.72 0.01 . 1 . . . . . 71 LYS H . 50269 1 704 . 1 . 1 71 71 LYS HA H 1 3.08 0.01 . 1 . . . . . 71 LYS HA . 50269 1 705 . 1 . 1 71 71 LYS HB2 H 1 1.15 0.01 . 2 . . . . . 71 LYS HB2 . 50269 1 706 . 1 . 1 71 71 LYS HB3 H 1 1.35 0.01 . 2 . . . . . 71 LYS HB3 . 50269 1 707 . 1 . 1 71 71 LYS HG2 H 1 0.99 0.01 . 2 . . . . . 71 LYS HG2 . 50269 1 708 . 1 . 1 71 71 LYS CA C 13 59.33 0.01 . 1 . . . . . 71 LYS CA . 50269 1 709 . 1 . 1 71 71 LYS CB C 13 31.71 0.01 . 1 . . . . . 71 LYS CB . 50269 1 710 . 1 . 1 71 71 LYS N N 15 124.7 0.1 . 1 . . . . . 71 LYS N . 50269 1 711 . 1 . 1 72 72 ASP H H 1 8.31 0.01 . 1 . . . . . 72 ASP H . 50269 1 712 . 1 . 1 72 72 ASP HA H 1 4.53 0.01 . 1 . . . . . 72 ASP HA . 50269 1 713 . 1 . 1 72 72 ASP HB2 H 1 2.56 0.01 . 2 . . . . . 72 ASP HB2 . 50269 1 714 . 1 . 1 72 72 ASP CA C 13 55.77 0.01 . 1 . . . . . 72 ASP CA . 50269 1 715 . 1 . 1 72 72 ASP CB C 13 40.84 0.01 . 1 . . . . . 72 ASP CB . 50269 1 716 . 1 . 1 72 72 ASP N N 15 115.0 0.1 . 1 . . . . . 72 ASP N . 50269 1 717 . 1 . 1 73 73 LYS H H 1 7.07 0.01 . 1 . . . . . 73 LYS H . 50269 1 718 . 1 . 1 73 73 LYS HA H 1 4.54 0.01 . 1 . . . . . 73 LYS HA . 50269 1 719 . 1 . 1 73 73 LYS HB2 H 1 1.78 0.01 . 2 . . . . . 73 LYS HB2 . 50269 1 720 . 1 . 1 73 73 LYS HG2 H 1 1.25 0.01 . 2 . . . . . 73 LYS HG2 . 50269 1 721 . 1 . 1 73 73 LYS HE2 H 1 3.77 0.01 . 2 . . . . . 73 LYS HE2 . 50269 1 722 . 1 . 1 73 73 LYS CA C 13 55.32 0.01 . 1 . . . . . 73 LYS CA . 50269 1 723 . 1 . 1 73 73 LYS CB C 13 32.79 0.01 . 1 . . . . . 73 LYS CB . 50269 1 724 . 1 . 1 73 73 LYS N N 15 114.9 0.1 . 1 . . . . . 73 LYS N . 50269 1 725 . 1 . 1 74 74 LEU H H 1 7.49 0.01 . 1 . . . . . 74 LEU H . 50269 1 726 . 1 . 1 74 74 LEU HA H 1 5.02 0.01 . 1 . . . . . 74 LEU HA . 50269 1 727 . 1 . 1 74 74 LEU HB2 H 1 1.77 0.01 . 2 . . . . . 74 LEU HB2 . 50269 1 728 . 1 . 1 74 74 LEU HB3 H 1 1.98 0.01 . 2 . . . . . 74 LEU HB3 . 50269 1 729 . 1 . 1 74 74 LEU HG H 1 1.51 0.01 . 1 . . . . . 74 LEU HG . 50269 1 730 . 1 . 1 74 74 LEU HD11 H 1 0.78 0.01 . 2 . . . . . 74 LEU MD1 . 50269 1 731 . 1 . 1 74 74 LEU HD12 H 1 0.78 0.01 . 2 . . . . . 74 LEU MD1 . 50269 1 732 . 1 . 1 74 74 LEU HD13 H 1 0.78 0.01 . 2 . . . . . 74 LEU MD1 . 50269 1 733 . 1 . 1 74 74 LEU HD21 H 1 0.94 0.01 . 2 . . . . . 74 LEU MD2 . 50269 1 734 . 1 . 1 74 74 LEU HD22 H 1 0.94 0.01 . 2 . . . . . 74 LEU MD2 . 50269 1 735 . 1 . 1 74 74 LEU HD23 H 1 0.94 0.01 . 2 . . . . . 74 LEU MD2 . 50269 1 736 . 1 . 1 74 74 LEU CA C 13 51.38 0.01 . 1 . . . . . 74 LEU CA . 50269 1 737 . 1 . 1 74 74 LEU CB C 13 44.02 0.01 . 1 . . . . . 74 LEU CB . 50269 1 738 . 1 . 1 74 74 LEU CG C 13 29.25 0.01 . 1 . . . . . 74 LEU CG . 50269 1 739 . 1 . 1 74 74 LEU CD1 C 13 26.26 0.01 . 2 . . . . . 74 LEU CD1 . 50269 1 740 . 1 . 1 74 74 LEU CD2 C 13 24.58 0.01 . 2 . . . . . 74 LEU CD2 . 50269 1 741 . 1 . 1 74 74 LEU N N 15 122.7 0.1 . 1 . . . . . 74 LEU N . 50269 1 742 . 1 . 1 75 75 PRO HA H 1 4.30 0.01 . 1 . . . . . 75 PRO HA . 50269 1 743 . 1 . 1 75 75 PRO HD2 H 1 3.54 0.01 . 2 . . . . . 75 PRO HD2 . 50269 1 744 . 1 . 1 75 75 PRO HD3 H 1 3.95 0.01 . 2 . . . . . 75 PRO HD3 . 50269 1 745 . 1 . 1 75 75 PRO CA C 13 62.92 0.01 . 1 . . . . . 75 PRO CA . 50269 1 746 . 1 . 1 75 75 PRO CD C 13 49.97 0.01 . 1 . . . . . 75 PRO CD . 50269 1 747 . 1 . 1 76 76 ASN H H 1 8.80 0.01 . 1 . . . . . 76 ASN H . 50269 1 748 . 1 . 1 76 76 ASN HA H 1 4.17 0.01 . 1 . . . . . 76 ASN HA . 50269 1 749 . 1 . 1 76 76 ASN HB2 H 1 2.35 0.01 . 2 . . . . . 76 ASN HB2 . 50269 1 750 . 1 . 1 76 76 ASN HB3 H 1 2.59 0.01 . 2 . . . . . 76 ASN HB3 . 50269 1 751 . 1 . 1 76 76 ASN CA C 13 53.42 0.01 . 1 . . . . . 76 ASN CA . 50269 1 752 . 1 . 1 76 76 ASN CB C 13 36.95 0.01 . 1 . . . . . 76 ASN CB . 50269 1 753 . 1 . 1 76 76 ASN N N 15 118.8 0.1 . 1 . . . . . 76 ASN N . 50269 1 754 . 1 . 1 77 77 TYR H H 1 7.30 0.01 . 1 . . . . . 77 TYR H . 50269 1 755 . 1 . 1 77 77 TYR HA H 1 3.23 0.01 . 1 . . . . . 77 TYR HA . 50269 1 756 . 1 . 1 77 77 TYR HB2 H 1 2.56 0.01 . 2 . . . . . 77 TYR HB2 . 50269 1 757 . 1 . 1 77 77 TYR HB3 H 1 3.46 0.01 . 2 . . . . . 77 TYR HB3 . 50269 1 758 . 1 . 1 77 77 TYR HD1 H 1 6.64 0.01 . 3 . . . . . 77 TYR HD1 . 50269 1 759 . 1 . 1 77 77 TYR HE1 H 1 6.32 0.01 . 3 . . . . . 77 TYR HE1 . 50269 1 760 . 1 . 1 77 77 TYR CA C 13 62.87 0.01 . 1 . . . . . 77 TYR CA . 50269 1 761 . 1 . 1 77 77 TYR CB C 13 39.42 0.01 . 1 . . . . . 77 TYR CB . 50269 1 762 . 1 . 1 77 77 TYR N N 15 117.9 0.1 . 1 . . . . . 77 TYR N . 50269 1 763 . 1 . 1 78 78 GLU H H 1 8.65 0.01 . 1 . . . . . 78 GLU H . 50269 1 764 . 1 . 1 78 78 GLU HA H 1 3.19 0.01 . 1 . . . . . 78 GLU HA . 50269 1 765 . 1 . 1 78 78 GLU HB2 H 1 1.59 0.01 . 2 . . . . . 78 GLU HB2 . 50269 1 766 . 1 . 1 78 78 GLU HB3 H 1 1.67 0.01 . 2 . . . . . 78 GLU HB3 . 50269 1 767 . 1 . 1 78 78 GLU HG2 H 1 2.18 0.01 . 2 . . . . . 78 GLU HG2 . 50269 1 768 . 1 . 1 78 78 GLU HG3 H 1 1.95 0.01 . 2 . . . . . 78 GLU HG3 . 50269 1 769 . 1 . 1 78 78 GLU CA C 13 59.98 0.01 . 1 . . . . . 78 GLU CA . 50269 1 770 . 1 . 1 78 78 GLU CB C 13 28.39 0.01 . 1 . . . . . 78 GLU CB . 50269 1 771 . 1 . 1 78 78 GLU CG C 13 36.96 0.01 . 1 . . . . . 78 GLU CG . 50269 1 772 . 1 . 1 78 78 GLU N N 15 115.8 0.1 . 1 . . . . . 78 GLU N . 50269 1 773 . 1 . 1 79 79 GLU H H 1 7.27 0.01 . 1 . . . . . 79 GLU H . 50269 1 774 . 1 . 1 79 79 GLU HA H 1 3.28 0.01 . 1 . . . . . 79 GLU HA . 50269 1 775 . 1 . 1 79 79 GLU HB2 H 1 1.36 0.01 . 2 . . . . . 79 GLU HB2 . 50269 1 776 . 1 . 1 79 79 GLU HG2 H 1 1.69 0.01 . 2 . . . . . 79 GLU HG2 . 50269 1 777 . 1 . 1 79 79 GLU CA C 13 58.30 0.01 . 1 . . . . . 79 GLU CA . 50269 1 778 . 1 . 1 79 79 GLU CB C 13 28.85 0.01 . 1 . . . . . 79 GLU CB . 50269 1 779 . 1 . 1 79 79 GLU N N 15 118.3 0.1 . 1 . . . . . 79 GLU N . 50269 1 780 . 1 . 1 80 80 LYS H H 1 7.40 0.01 . 1 . . . . . 80 LYS H . 50269 1 781 . 1 . 1 80 80 LYS HA H 1 2.25 0.01 . 1 . . . . . 80 LYS HA . 50269 1 782 . 1 . 1 80 80 LYS HB2 H 1 -0.02 0.01 . 2 . . . . . 80 LYS HB2 . 50269 1 783 . 1 . 1 80 80 LYS HB3 H 1 0.86 0.01 . 2 . . . . . 80 LYS HB3 . 50269 1 784 . 1 . 1 80 80 LYS HG2 H 1 0.49 0.01 . 2 . . . . . 80 LYS HG2 . 50269 1 785 . 1 . 1 80 80 LYS HG3 H 1 0.15 0.01 . 2 . . . . . 80 LYS HG3 . 50269 1 786 . 1 . 1 80 80 LYS CA C 13 57.29 0.01 . 1 . . . . . 80 LYS CA . 50269 1 787 . 1 . 1 80 80 LYS CB C 13 30.86 0.01 . 1 . . . . . 80 LYS CB . 50269 1 788 . 1 . 1 80 80 LYS N N 15 119.9 0.1 . 1 . . . . . 80 LYS N . 50269 1 789 . 1 . 1 81 81 ILE H H 1 7.41 0.01 . 1 . . . . . 81 ILE H . 50269 1 790 . 1 . 1 81 81 ILE HA H 1 2.68 0.01 . 1 . . . . . 81 ILE HA . 50269 1 791 . 1 . 1 81 81 ILE HB H 1 1.14 0.01 . 1 . . . . . 81 ILE HB . 50269 1 792 . 1 . 1 81 81 ILE HG12 H 1 0.42 0.01 . 2 . . . . . 81 ILE HG12 . 50269 1 793 . 1 . 1 81 81 ILE HG13 H 1 0.50 0.01 . 2 . . . . . 81 ILE HG13 . 50269 1 794 . 1 . 1 81 81 ILE HG21 H 1 0.14 0.01 . 1 . . . . . 81 ILE MG . 50269 1 795 . 1 . 1 81 81 ILE HG22 H 1 0.14 0.01 . 1 . . . . . 81 ILE MG . 50269 1 796 . 1 . 1 81 81 ILE HG23 H 1 0.14 0.01 . 1 . . . . . 81 ILE MG . 50269 1 797 . 1 . 1 81 81 ILE HD11 H 1 0.27 0.01 . 1 . . . . . 81 ILE MD . 50269 1 798 . 1 . 1 81 81 ILE HD12 H 1 0.27 0.01 . 1 . . . . . 81 ILE MD . 50269 1 799 . 1 . 1 81 81 ILE HD13 H 1 0.27 0.01 . 1 . . . . . 81 ILE MD . 50269 1 800 . 1 . 1 81 81 ILE CA C 13 62.33 0.01 . 1 . . . . . 81 ILE CA . 50269 1 801 . 1 . 1 81 81 ILE CB C 13 35.72 0.01 . 1 . . . . . 81 ILE CB . 50269 1 802 . 1 . 1 81 81 ILE CG1 C 13 25.61 0.01 . 1 . . . . . 81 ILE CG1 . 50269 1 803 . 1 . 1 81 81 ILE CG2 C 13 17.35 0.01 . 1 . . . . . 81 ILE CG2 . 50269 1 804 . 1 . 1 81 81 ILE CD1 C 13 11.91 0.01 . 1 . . . . . 81 ILE CD1 . 50269 1 805 . 1 . 1 81 81 ILE N N 15 113.3 0.01 . 1 . . . . . 81 ILE N . 50269 1 806 . 1 . 1 82 82 LYS H H 1 6.04 0.01 . 1 . . . . . 82 LYS H . 50269 1 807 . 1 . 1 82 82 LYS HA H 1 3.18 0.01 . 1 . . . . . 82 LYS HA . 50269 1 808 . 1 . 1 82 82 LYS HB2 H 1 1.00 0.01 . 2 . . . . . 82 LYS HB2 . 50269 1 809 . 1 . 1 82 82 LYS HB3 H 1 1.05 0.01 . 2 . . . . . 82 LYS HB3 . 50269 1 810 . 1 . 1 82 82 LYS HG2 H 1 0.68 0.01 . 2 . . . . . 82 LYS HG2 . 50269 1 811 . 1 . 1 82 82 LYS HG3 H 1 0.92 0.01 . 2 . . . . . 82 LYS HG3 . 50269 1 812 . 1 . 1 82 82 LYS HE2 H 1 2.45 0.01 . 2 . . . . . 82 LYS HE2 . 50269 1 813 . 1 . 1 82 82 LYS CA C 13 58.66 0.01 . 1 . . . . . 82 LYS CA . 50269 1 814 . 1 . 1 82 82 LYS CB C 13 31.25 0.01 . 1 . . . . . 82 LYS CB . 50269 1 815 . 1 . 1 82 82 LYS CG C 13 24.28 0.01 . 1 . . . . . 82 LYS CG . 50269 1 816 . 1 . 1 82 82 LYS N N 15 120.7 0.1 . 1 . . . . . 82 LYS N . 50269 1 817 . 1 . 1 83 83 MET H H 1 5.76 0.01 . 1 . . . . . 83 MET H . 50269 1 818 . 1 . 1 83 83 MET HA H 1 1.65 0.01 . 1 . . . . . 83 MET HA . 50269 1 819 . 1 . 1 83 83 MET HB2 H 1 -0.82 0.01 . 2 . . . . . 83 MET HB2 . 50269 1 820 . 1 . 1 83 83 MET HB3 H 1 0.10 0.01 . 2 . . . . . 83 MET HB3 . 50269 1 821 . 1 . 1 83 83 MET HG2 H 1 -0.43 0.01 . 2 . . . . . 83 MET HG2 . 50269 1 822 . 1 . 1 83 83 MET HG3 H 1 -0.23 0.01 . 2 . . . . . 83 MET HG3 . 50269 1 823 . 1 . 1 83 83 MET HE1 H 1 -0.34 0.01 . 1 . . . . . 83 MET ME . 50269 1 824 . 1 . 1 83 83 MET HE2 H 1 -0.34 0.01 . 1 . . . . . 83 MET ME . 50269 1 825 . 1 . 1 83 83 MET HE3 H 1 -0.34 0.01 . 1 . . . . . 83 MET ME . 50269 1 826 . 1 . 1 83 83 MET CA C 13 56.23 0.01 . 1 . . . . . 83 MET CA . 50269 1 827 . 1 . 1 83 83 MET CB C 13 29.13 0.01 . 1 . . . . . 83 MET CB . 50269 1 828 . 1 . 1 83 83 MET CG C 13 26.49 0.01 . 1 . . . . . 83 MET CG . 50269 1 829 . 1 . 1 83 83 MET CE C 13 12.15 0.01 . 1 . . . . . 83 MET CE . 50269 1 830 . 1 . 1 83 83 MET N N 15 118.3 0.01 . 1 . . . . . 83 MET N . 50269 1 831 . 1 . 1 84 84 PHE H H 1 7.45 0.01 . 9 . . . . . 84 PHE H . 50269 1 832 . 1 . 1 84 84 PHE HB2 H 1 4.15 0.01 . 9 . . . . . 84 PHE HB2 . 50269 1 833 . 1 . 1 84 84 PHE CA C 13 61.38 0.01 . 9 . . . . . 84 PHE CA . 50269 1 834 . 1 . 1 84 84 PHE N N 15 113.2 0.1 . 9 . . . . . 84 PHE N . 50269 1 835 . 1 . 1 89 89 LEU HA H 1 4.61 0.01 . 9 . . . . . 89 LEU HA . 50269 1 836 . 1 . 1 89 89 LEU HB2 H 1 1.47 0.01 . 9 . . . . . 89 LEU HB2 . 50269 1 837 . 1 . 1 89 89 LEU HB3 H 1 1.96 0.01 . 9 . . . . . 89 LEU HB3 . 50269 1 838 . 1 . 1 89 89 LEU HD11 H 1 -0.05 0.01 . 9 . . . . . 89 LEU MD1 . 50269 1 839 . 1 . 1 89 89 LEU HD12 H 1 -0.05 0.01 . 9 . . . . . 89 LEU MD1 . 50269 1 840 . 1 . 1 89 89 LEU HD13 H 1 -0.05 0.01 . 9 . . . . . 89 LEU MD1 . 50269 1 841 . 1 . 1 89 89 LEU HD21 H 1 0.56 0.01 . 9 . . . . . 89 LEU MD2 . 50269 1 842 . 1 . 1 89 89 LEU HD22 H 1 0.56 0.01 . 9 . . . . . 89 LEU MD2 . 50269 1 843 . 1 . 1 89 89 LEU HD23 H 1 0.56 0.01 . 9 . . . . . 89 LEU MD2 . 50269 1 844 . 1 . 1 89 89 LEU CA C 13 53.47 0.01 . 9 . . . . . 89 LEU CA . 50269 1 845 . 1 . 1 89 89 LEU CB C 13 43.04 0.01 . 9 . . . . . 89 LEU CB . 50269 1 846 . 1 . 1 89 89 LEU CD1 C 13 26.70 0.01 . 9 . . . . . 89 LEU CD1 . 50269 1 847 . 1 . 1 89 89 LEU CD2 C 13 26.49 0.01 . 9 . . . . . 89 LEU CD2 . 50269 1 848 . 1 . 1 92 92 ASP HA H 1 4.67 0.01 . 9 . . . . . 92 ASP HA . 50269 1 849 . 1 . 1 92 92 ASP HB2 H 1 2.41 0.01 . 9 . . . . . 92 ASP HB2 . 50269 1 850 . 1 . 1 92 92 ASP HB3 H 1 2.69 0.01 . 9 . . . . . 92 ASP HB3 . 50269 1 851 . 1 . 1 92 92 ASP CA C 13 50.88 0.01 . 9 . . . . . 92 ASP CA . 50269 1 852 . 1 . 1 92 92 ASP CB C 13 41.41 0.01 . 9 . . . . . 92 ASP CB . 50269 1 853 . 1 . 1 95 95 ILE H H 1 8.95 0.01 . 1 . . . . . 95 ILE H . 50269 1 854 . 1 . 1 95 95 ILE HA H 1 4.61 0.01 . 1 . . . . . 95 ILE HA . 50269 1 855 . 1 . 1 95 95 ILE HB H 1 0.40 0.01 . 1 . . . . . 95 ILE HB . 50269 1 856 . 1 . 1 95 95 ILE HG12 H 1 -0.61 0.01 . 2 . . . . . 95 ILE HG12 . 50269 1 857 . 1 . 1 95 95 ILE HG13 H 1 -0.10 0.01 . 2 . . . . . 95 ILE HG13 . 50269 1 858 . 1 . 1 95 95 ILE HG21 H 1 -0.52 0.01 . 1 . . . . . 95 ILE MG . 50269 1 859 . 1 . 1 95 95 ILE HG22 H 1 -0.52 0.01 . 1 . . . . . 95 ILE MG . 50269 1 860 . 1 . 1 95 95 ILE HG23 H 1 -0.52 0.01 . 1 . . . . . 95 ILE MG . 50269 1 861 . 1 . 1 95 95 ILE HD11 H 1 0.41 0.01 . 1 . . . . . 95 ILE MD . 50269 1 862 . 1 . 1 95 95 ILE HD12 H 1 0.41 0.01 . 1 . . . . . 95 ILE MD . 50269 1 863 . 1 . 1 95 95 ILE HD13 H 1 0.41 0.01 . 1 . . . . . 95 ILE MD . 50269 1 864 . 1 . 1 95 95 ILE CA C 13 60.31 0.01 . 1 . . . . . 95 ILE CA . 50269 1 865 . 1 . 1 95 95 ILE CB C 13 38.00 0.01 . 1 . . . . . 95 ILE CB . 50269 1 866 . 1 . 1 95 95 ILE CG1 C 13 26.48 0.01 . 1 . . . . . 95 ILE CG1 . 50269 1 867 . 1 . 1 95 95 ILE CG2 C 13 20.41 0.01 . 1 . . . . . 95 ILE CG2 . 50269 1 868 . 1 . 1 95 95 ILE CD1 C 13 16.92 0.01 . 1 . . . . . 95 ILE CD1 . 50269 1 869 . 1 . 1 95 95 ILE N N 15 116.2 0.1 . 1 . . . . . 95 ILE N . 50269 1 870 . 1 . 1 96 96 ARG H H 1 7.70 0.01 . 1 . . . . . 96 ARG H . 50269 1 871 . 1 . 1 96 96 ARG HA H 1 3.90 0.01 . 1 . . . . . 96 ARG HA . 50269 1 872 . 1 . 1 96 96 ARG HB2 H 1 1.95 0.01 . 2 . . . . . 96 ARG HB2 . 50269 1 873 . 1 . 1 96 96 ARG HG2 H 1 1.74 0.01 . 2 . . . . . 96 ARG HG2 . 50269 1 874 . 1 . 1 96 96 ARG HD2 H 1 2.77 0.01 . 2 . . . . . 96 ARG HD2 . 50269 1 875 . 1 . 1 96 96 ARG CA C 13 53.29 0.01 . 1 . . . . . 96 ARG CA . 50269 1 876 . 1 . 1 96 96 ARG N N 15 118.7 0.1 . 1 . . . . . 96 ARG N . 50269 1 877 . 1 . 1 97 97 TYR H H 1 10.63 0.01 . 1 . . . . . 97 TYR H . 50269 1 878 . 1 . 1 97 97 TYR HA H 1 4.95 0.01 . 1 . . . . . 97 TYR HA . 50269 1 879 . 1 . 1 97 97 TYR HB2 H 1 2.01 0.01 . 2 . . . . . 97 TYR HB2 . 50269 1 880 . 1 . 1 97 97 TYR HB3 H 1 2.05 0.01 . 2 . . . . . 97 TYR HB3 . 50269 1 881 . 1 . 1 97 97 TYR HD1 H 1 6.57 0.01 . 3 . . . . . 97 TYR HD1 . 50269 1 882 . 1 . 1 97 97 TYR HE1 H 1 6.34 0.01 . 3 . . . . . 97 TYR HE1 . 50269 1 883 . 1 . 1 97 97 TYR CA C 13 59.43 0.01 . 1 . . . . . 97 TYR CA . 50269 1 884 . 1 . 1 97 97 TYR CB C 13 42.80 0.01 . 1 . . . . . 97 TYR CB . 50269 1 885 . 1 . 1 97 97 TYR N N 15 113.2 0.01 . 1 . . . . . 97 TYR N . 50269 1 886 . 1 . 1 98 98 ILE H H 1 9.47 0.01 . 1 . . . . . 98 ILE H . 50269 1 887 . 1 . 1 98 98 ILE HA H 1 3.97 0.01 . 1 . . . . . 98 ILE HA . 50269 1 888 . 1 . 1 98 98 ILE HB H 1 2.47 0.01 . 1 . . . . . 98 ILE HB . 50269 1 889 . 1 . 1 98 98 ILE HG12 H 1 1.18 0.01 . 2 . . . . . 98 ILE HG12 . 50269 1 890 . 1 . 1 98 98 ILE HG13 H 1 1.19 0.01 . 2 . . . . . 98 ILE HG13 . 50269 1 891 . 1 . 1 98 98 ILE HG21 H 1 0.50 0.01 . 1 . . . . . 98 ILE MG . 50269 1 892 . 1 . 1 98 98 ILE HG22 H 1 0.50 0.01 . 1 . . . . . 98 ILE MG . 50269 1 893 . 1 . 1 98 98 ILE HG23 H 1 0.50 0.01 . 1 . . . . . 98 ILE MG . 50269 1 894 . 1 . 1 98 98 ILE HD11 H 1 0.68 0.01 . 1 . . . . . 98 ILE MD . 50269 1 895 . 1 . 1 98 98 ILE HD12 H 1 0.68 0.01 . 1 . . . . . 98 ILE MD . 50269 1 896 . 1 . 1 98 98 ILE HD13 H 1 0.68 0.01 . 1 . . . . . 98 ILE MD . 50269 1 897 . 1 . 1 98 98 ILE CA C 13 59.95 0.01 . 1 . . . . . 98 ILE CA . 50269 1 898 . 1 . 1 98 98 ILE CB C 13 38.43 0.01 . 1 . . . . . 98 ILE CB . 50269 1 899 . 1 . 1 98 98 ILE CG1 C 13 25.50 0.01 . 1 . . . . . 98 ILE CG1 . 50269 1 900 . 1 . 1 98 98 ILE CG2 C 13 18.44 0.01 . 1 . . . . . 98 ILE CG2 . 50269 1 901 . 1 . 1 98 98 ILE CD1 C 13 8.20 0.01 . 1 . . . . . 98 ILE CD1 . 50269 1 902 . 1 . 1 98 98 ILE N N 15 128.3 0.1 . 1 . . . . . 98 ILE N . 50269 1 903 . 1 . 1 99 99 LEU H H 1 8.38 0.01 . 1 . . . . . 99 LEU H . 50269 1 904 . 1 . 1 99 99 LEU HA H 1 3.90 0.01 . 1 . . . . . 99 LEU HA . 50269 1 905 . 1 . 1 99 99 LEU HB2 H 1 0.92 0.01 . 2 . . . . . 99 LEU HB2 . 50269 1 906 . 1 . 1 99 99 LEU HB3 H 1 1.10 0.01 . 2 . . . . . 99 LEU HB3 . 50269 1 907 . 1 . 1 99 99 LEU HG H 1 1.20 0.01 . 1 . . . . . 99 LEU HG . 50269 1 908 . 1 . 1 99 99 LEU HD11 H 1 -0.35 0.01 . 2 . . . . . 99 LEU MD1 . 50269 1 909 . 1 . 1 99 99 LEU HD12 H 1 -0.35 0.01 . 2 . . . . . 99 LEU MD1 . 50269 1 910 . 1 . 1 99 99 LEU HD13 H 1 -0.35 0.01 . 2 . . . . . 99 LEU MD1 . 50269 1 911 . 1 . 1 99 99 LEU HD21 H 1 -0.03 0.01 . 2 . . . . . 99 LEU MD2 . 50269 1 912 . 1 . 1 99 99 LEU HD22 H 1 -0.03 0.01 . 2 . . . . . 99 LEU MD2 . 50269 1 913 . 1 . 1 99 99 LEU HD23 H 1 -0.03 0.01 . 2 . . . . . 99 LEU MD2 . 50269 1 914 . 1 . 1 99 99 LEU CA C 13 54.49 0.01 . 1 . . . . . 99 LEU CA . 50269 1 915 . 1 . 1 99 99 LEU CB C 13 42.70 0.01 . 1 . . . . . 99 LEU CB . 50269 1 916 . 1 . 1 99 99 LEU CG C 13 25.81 0.01 . 1 . . . . . 99 LEU CG . 50269 1 917 . 1 . 1 99 99 LEU CD1 C 13 21.02 0.01 . 2 . . . . . 99 LEU CD1 . 50269 1 918 . 1 . 1 99 99 LEU CD2 C 13 25.74 0.01 . 2 . . . . . 99 LEU CD2 . 50269 1 919 . 1 . 1 99 99 LEU N N 15 128.5 0.1 . 1 . . . . . 99 LEU N . 50269 1 920 . 1 . 1 100 100 ASP H H 1 7.96 0.01 . 1 . . . . . 100 ASP H . 50269 1 921 . 1 . 1 100 100 ASP HA H 1 4.71 0.01 . 1 . . . . . 100 ASP HA . 50269 1 922 . 1 . 1 100 100 ASP HB2 H 1 2.46 0.01 . 2 . . . . . 100 ASP HB2 . 50269 1 923 . 1 . 1 100 100 ASP HB3 H 1 2.83 0.01 . 2 . . . . . 100 ASP HB3 . 50269 1 924 . 1 . 1 100 100 ASP CA C 13 53.56 0.01 . 1 . . . . . 100 ASP CA . 50269 1 925 . 1 . 1 100 100 ASP CB C 13 43.45 0.01 . 1 . . . . . 100 ASP CB . 50269 1 926 . 1 . 1 100 100 ASP N N 15 114.7 0.1 . 1 . . . . . 100 ASP N . 50269 1 927 . 1 . 1 101 101 GLY H H 1 8.46 0.01 . 1 . . . . . 101 GLY H . 50269 1 928 . 1 . 1 101 101 GLY HA2 H 1 3.97 0.01 . 2 . . . . . 101 GLY HA2 . 50269 1 929 . 1 . 1 101 101 GLY HA3 H 1 4.18 0.01 . 2 . . . . . 101 GLY HA3 . 50269 1 930 . 1 . 1 101 101 GLY CA C 13 46.09 0.01 . 1 . . . . . 101 GLY CA . 50269 1 931 . 1 . 1 101 101 GLY N N 15 111.2 0.1 . 1 . . . . . 101 GLY N . 50269 1 932 . 1 . 1 102 102 SER H H 1 8.32 0.01 . 1 . . . . . 102 SER H . 50269 1 933 . 1 . 1 102 102 SER HA H 1 5.28 0.01 . 1 . . . . . 102 SER HA . 50269 1 934 . 1 . 1 102 102 SER HB2 H 1 3.53 0.01 . 2 . . . . . 102 SER HB2 . 50269 1 935 . 1 . 1 102 102 SER HB3 H 1 3.66 0.01 . 2 . . . . . 102 SER HB3 . 50269 1 936 . 1 . 1 102 102 SER CA C 13 57.94 0.01 . 1 . . . . . 102 SER CA . 50269 1 937 . 1 . 1 102 102 SER CB C 13 63.82 0.01 . 1 . . . . . 102 SER CB . 50269 1 938 . 1 . 1 102 102 SER N N 15 111.1 0.1 . 1 . . . . . 102 SER N . 50269 1 939 . 1 . 1 103 103 GLY H H 1 9.13 0.01 . 1 . . . . . 103 GLY H . 50269 1 940 . 1 . 1 103 103 GLY HA2 H 1 4.04 0.01 . 2 . . . . . 103 GLY HA2 . 50269 1 941 . 1 . 1 103 103 GLY HA3 H 1 4.25 0.01 . 2 . . . . . 103 GLY HA3 . 50269 1 942 . 1 . 1 103 103 GLY CA C 13 45.55 0.01 . 1 . . . . . 103 GLY CA . 50269 1 943 . 1 . 1 103 103 GLY N N 15 108.6 0.1 . 1 . . . . . 103 GLY N . 50269 1 944 . 1 . 1 104 104 TYR H H 1 9.46 0.01 . 1 . . . . . 104 TYR H . 50269 1 945 . 1 . 1 104 104 TYR HA H 1 5.61 0.01 . 1 . . . . . 104 TYR HA . 50269 1 946 . 1 . 1 104 104 TYR HB2 H 1 3.50 0.01 . 2 . . . . . 104 TYR HB2 . 50269 1 947 . 1 . 1 104 104 TYR HB3 H 1 3.56 0.01 . 2 . . . . . 104 TYR HB3 . 50269 1 948 . 1 . 1 104 104 TYR HD2 H 1 6.54 0.01 . 3 . . . . . 104 TYR HD2 . 50269 1 949 . 1 . 1 104 104 TYR CA C 13 56.30 0.01 . 1 . . . . . 104 TYR CA . 50269 1 950 . 1 . 1 104 104 TYR CB C 13 40.07 0.01 . 1 . . . . . 104 TYR CB . 50269 1 951 . 1 . 1 104 104 TYR N N 15 116.9 0.1 . 1 . . . . . 104 TYR N . 50269 1 952 . 1 . 1 105 105 PHE H H 1 9.77 0.01 . 1 . . . . . 105 PHE H . 50269 1 953 . 1 . 1 105 105 PHE HA H 1 5.10 0.01 . 1 . . . . . 105 PHE HA . 50269 1 954 . 1 . 1 105 105 PHE HB2 H 1 3.08 0.01 . 2 . . . . . 105 PHE HB2 . 50269 1 955 . 1 . 1 105 105 PHE HB3 H 1 3.53 0.01 . 2 . . . . . 105 PHE HB3 . 50269 1 956 . 1 . 1 105 105 PHE HD1 H 1 7.20 0.01 . 3 . . . . . 105 PHE HD1 . 50269 1 957 . 1 . 1 105 105 PHE CA C 13 58.54 0.01 . 1 . . . . . 105 PHE CA . 50269 1 958 . 1 . 1 105 105 PHE CB C 13 40.28 0.01 . 1 . . . . . 105 PHE CB . 50269 1 959 . 1 . 1 105 105 PHE N N 15 121.0 0.01 . 1 . . . . . 105 PHE N . 50269 1 960 . 1 . 1 106 106 ASP H H 1 9.58 0.01 . 1 . . . . . 106 ASP H . 50269 1 961 . 1 . 1 106 106 ASP HA H 1 4.71 0.01 . 1 . . . . . 106 ASP HA . 50269 1 962 . 1 . 1 106 106 ASP HB2 H 1 2.67 0.01 . 2 . . . . . 106 ASP HB2 . 50269 1 963 . 1 . 1 106 106 ASP CA C 13 53.08 0.01 . 1 . . . . . 106 ASP CA . 50269 1 964 . 1 . 1 106 106 ASP CB C 13 43.94 0.01 . 1 . . . . . 106 ASP CB . 50269 1 965 . 1 . 1 106 106 ASP N N 15 120.8 0.1 . 1 . . . . . 106 ASP N . 50269 1 966 . 1 . 1 107 107 VAL H H 1 10.63 0.01 . 1 . . . . . 107 VAL H . 50269 1 967 . 1 . 1 107 107 VAL HA H 1 3.98 0.01 . 1 . . . . . 107 VAL HA . 50269 1 968 . 1 . 1 107 107 VAL HB H 1 1.21 0.01 . 1 . . . . . 107 VAL HB . 50269 1 969 . 1 . 1 107 107 VAL HG11 H 1 0.60 0.05 . 2 . . . . . 107 VAL MG1 . 50269 1 970 . 1 . 1 107 107 VAL HG12 H 1 0.60 0.05 . 2 . . . . . 107 VAL MG1 . 50269 1 971 . 1 . 1 107 107 VAL HG13 H 1 0.60 0.05 . 2 . . . . . 107 VAL MG1 . 50269 1 972 . 1 . 1 107 107 VAL HG21 H 1 0.87 0.01 . 2 . . . . . 107 VAL MG2 . 50269 1 973 . 1 . 1 107 107 VAL HG22 H 1 0.87 0.01 . 2 . . . . . 107 VAL MG2 . 50269 1 974 . 1 . 1 107 107 VAL HG23 H 1 0.87 0.01 . 2 . . . . . 107 VAL MG2 . 50269 1 975 . 1 . 1 107 107 VAL CA C 13 59.47 0.01 . 1 . . . . . 107 VAL CA . 50269 1 976 . 1 . 1 107 107 VAL CG2 C 13 20.89 0.01 . 2 . . . . . 107 VAL CG2 . 50269 1 977 . 1 . 1 107 107 VAL N N 15 113.3 0.1 . 1 . . . . . 107 VAL N . 50269 1 978 . 1 . 1 108 108 ARG H H 1 8.26 0.01 . 1 . . . . . 108 ARG H . 50269 1 979 . 1 . 1 108 108 ARG HA H 1 5.10 0.01 . 1 . . . . . 108 ARG HA . 50269 1 980 . 1 . 1 108 108 ARG HB2 H 1 1.46 0.01 . 2 . . . . . 108 ARG HB2 . 50269 1 981 . 1 . 1 108 108 ARG HB3 H 1 1.48 0.01 . 2 . . . . . 108 ARG HB3 . 50269 1 982 . 1 . 1 108 108 ARG HG2 H 1 1.04 0.01 . 2 . . . . . 108 ARG HG2 . 50269 1 983 . 1 . 1 108 108 ARG HG3 H 1 1.70 0.01 . 2 . . . . . 108 ARG HG3 . 50269 1 984 . 1 . 1 108 108 ARG HD2 H 1 3.39 0.01 . 2 . . . . . 108 ARG HD2 . 50269 1 985 . 1 . 1 108 108 ARG CA C 13 54.03 0.01 . 1 . . . . . 108 ARG CA . 50269 1 986 . 1 . 1 108 108 ARG CB C 13 29.36 0.01 . 1 . . . . . 108 ARG CB . 50269 1 987 . 1 . 1 108 108 ARG CG C 13 29.59 0.01 . 1 . . . . . 108 ARG CG . 50269 1 988 . 1 . 1 108 108 ARG N N 15 123.0 0.1 . 1 . . . . . 108 ARG N . 50269 1 989 . 1 . 1 109 109 ASP H H 1 9.47 0.01 . 1 . . . . . 109 ASP H . 50269 1 990 . 1 . 1 109 109 ASP HA H 1 4.95 0.01 . 1 . . . . . 109 ASP HA . 50269 1 991 . 1 . 1 109 109 ASP HB2 H 1 3.77 0.01 . 2 . . . . . 109 ASP HB2 . 50269 1 992 . 1 . 1 109 109 ASP CA C 13 51.88 0.01 . 1 . . . . . 109 ASP CA . 50269 1 993 . 1 . 1 109 109 ASP CB C 13 41.20 0.01 . 1 . . . . . 109 ASP CB . 50269 1 994 . 1 . 1 109 109 ASP N N 15 122.9 0.01 . 1 . . . . . 109 ASP N . 50269 1 995 . 1 . 1 110 110 LYS H H 1 8.33 0.01 . 1 . . . . . 110 LYS H . 50269 1 996 . 1 . 1 110 110 LYS HA H 1 4.01 0.01 . 1 . . . . . 110 LYS HA . 50269 1 997 . 1 . 1 110 110 LYS HB2 H 1 1.90 0.01 . 2 . . . . . 110 LYS HB2 . 50269 1 998 . 1 . 1 110 110 LYS HG2 H 1 2.32 0.01 . 2 . . . . . 110 LYS HG2 . 50269 1 999 . 1 . 1 110 110 LYS CA C 13 60.28 0.01 . 1 . . . . . 110 LYS CA . 50269 1 1000 . 1 . 1 110 110 LYS CB C 13 29.16 0.01 . 1 . . . . . 110 LYS CB . 50269 1 1001 . 1 . 1 110 110 LYS CG C 13 33.62 0.01 . 1 . . . . . 110 LYS CG . 50269 1 1002 . 1 . 1 110 110 LYS N N 15 118.2 0.1 . 1 . . . . . 110 LYS N . 50269 1 1003 . 1 . 1 111 111 GLU H H 1 8.02 0.01 . 1 . . . . . 111 GLU H . 50269 1 1004 . 1 . 1 111 111 GLU HA H 1 4.51 0.01 . 1 . . . . . 111 GLU HA . 50269 1 1005 . 1 . 1 111 111 GLU HB2 H 1 1.81 0.01 . 2 . . . . . 111 GLU HB2 . 50269 1 1006 . 1 . 1 111 111 GLU HG2 H 1 2.22 0.01 . 2 . . . . . 111 GLU HG2 . 50269 1 1007 . 1 . 1 111 111 GLU HG3 H 1 2.45 0.01 . 2 . . . . . 111 GLU HG3 . 50269 1 1008 . 1 . 1 111 111 GLU CA C 13 55.25 0.01 . 1 . . . . . 111 GLU CA . 50269 1 1009 . 1 . 1 111 111 GLU CB C 13 29.20 0.01 . 1 . . . . . 111 GLU CB . 50269 1 1010 . 1 . 1 111 111 GLU N N 15 118.2 0.1 . 1 . . . . . 111 GLU N . 50269 1 1011 . 1 . 1 112 112 ASP H H 1 8.48 0.01 . 1 . . . . . 112 ASP H . 50269 1 1012 . 1 . 1 112 112 ASP HA H 1 4.62 0.01 . 1 . . . . . 112 ASP HA . 50269 1 1013 . 1 . 1 112 112 ASP HB2 H 1 3.38 0.01 . 2 . . . . . 112 ASP HB2 . 50269 1 1014 . 1 . 1 112 112 ASP CA C 13 55.72 0.01 . 1 . . . . . 112 ASP CA . 50269 1 1015 . 1 . 1 112 112 ASP CB C 13 41.28 0.01 . 1 . . . . . 112 ASP CB . 50269 1 1016 . 1 . 1 112 112 ASP N N 15 119.8 0.1 . 1 . . . . . 112 ASP N . 50269 1 1017 . 1 . 1 113 113 GLN H H 1 9.23 0.01 . 1 . . . . . 113 GLN H . 50269 1 1018 . 1 . 1 113 113 GLN HA H 1 4.86 0.01 . 1 . . . . . 113 GLN HA . 50269 1 1019 . 1 . 1 113 113 GLN HB2 H 1 1.97 0.01 . 2 . . . . . 113 GLN HB2 . 50269 1 1020 . 1 . 1 113 113 GLN HG2 H 1 2.37 0.01 . 2 . . . . . 113 GLN HG2 . 50269 1 1021 . 1 . 1 113 113 GLN CA C 13 54.23 0.01 . 1 . . . . . 113 GLN CA . 50269 1 1022 . 1 . 1 113 113 GLN CB C 13 30.33 0.01 . 1 . . . . . 113 GLN CB . 50269 1 1023 . 1 . 1 113 113 GLN N N 15 119.9 0.1 . 1 . . . . . 113 GLN N . 50269 1 1024 . 1 . 1 114 114 TRP H H 1 9.12 0.01 . 1 . . . . . 114 TRP H . 50269 1 1025 . 1 . 1 114 114 TRP HA H 1 5.51 0.01 . 1 . . . . . 114 TRP HA . 50269 1 1026 . 1 . 1 114 114 TRP HB2 H 1 3.48 0.01 . 2 . . . . . 114 TRP HB2 . 50269 1 1027 . 1 . 1 114 114 TRP HD1 H 1 7.62 0.01 . 1 . . . . . 114 TRP HD1 . 50269 1 1028 . 1 . 1 114 114 TRP HE1 H 1 10.28 0.01 . 1 . . . . . 114 TRP HE1 . 50269 1 1029 . 1 . 1 114 114 TRP HE3 H 1 7.486 0.01 . 1 . . . . . 114 TRP HE3 . 50269 1 1030 . 1 . 1 114 114 TRP CA C 13 58.72 0.01 . 1 . . . . . 114 TRP CA . 50269 1 1031 . 1 . 1 114 114 TRP CB C 13 32.77 0.01 . 1 . . . . . 114 TRP CB . 50269 1 1032 . 1 . 1 114 114 TRP N N 15 121.4 0.1 . 1 . . . . . 114 TRP N . 50269 1 1033 . 1 . 1 114 114 TRP NE1 N 15 129.7 0.1 . 1 . . . . . 114 TRP NE1 . 50269 1 1034 . 1 . 1 115 115 ILE H H 1 10.39 0.01 . 1 . . . . . 115 ILE H . 50269 1 1035 . 1 . 1 115 115 ILE HA H 1 4.40 0.01 . 1 . . . . . 115 ILE HA . 50269 1 1036 . 1 . 1 115 115 ILE HB H 1 1.90 0.01 . 1 . . . . . 115 ILE HB . 50269 1 1037 . 1 . 1 115 115 ILE HG12 H 1 -0.08 0.01 . 2 . . . . . 115 ILE HG12 . 50269 1 1038 . 1 . 1 115 115 ILE HG13 H 1 1.61 0.01 . 2 . . . . . 115 ILE HG13 . 50269 1 1039 . 1 . 1 115 115 ILE HG21 H 1 0.54 0.01 . 1 . . . . . 115 ILE MG . 50269 1 1040 . 1 . 1 115 115 ILE HG22 H 1 0.54 0.01 . 1 . . . . . 115 ILE MG . 50269 1 1041 . 1 . 1 115 115 ILE HG23 H 1 0.54 0.01 . 1 . . . . . 115 ILE MG . 50269 1 1042 . 1 . 1 115 115 ILE HD11 H 1 0.66 0.01 . 1 . . . . . 115 ILE MD . 50269 1 1043 . 1 . 1 115 115 ILE HD12 H 1 0.66 0.01 . 1 . . . . . 115 ILE MD . 50269 1 1044 . 1 . 1 115 115 ILE HD13 H 1 0.66 0.01 . 1 . . . . . 115 ILE MD . 50269 1 1045 . 1 . 1 115 115 ILE CA C 13 61.14 0.01 . 1 . . . . . 115 ILE CA . 50269 1 1046 . 1 . 1 115 115 ILE CB C 13 40.04 0.01 . 1 . . . . . 115 ILE CB . 50269 1 1047 . 1 . 1 115 115 ILE CG1 C 13 27.45 0.01 . 1 . . . . . 115 ILE CG1 . 50269 1 1048 . 1 . 1 115 115 ILE CG2 C 13 16.97 0.01 . 1 . . . . . 115 ILE CG2 . 50269 1 1049 . 1 . 1 115 115 ILE CD1 C 13 14.61 0.01 . 1 . . . . . 115 ILE CD1 . 50269 1 1050 . 1 . 1 115 115 ILE N N 15 128.2 0.1 . 1 . . . . . 115 ILE N . 50269 1 1051 . 1 . 1 116 116 ARG H H 1 9.24 0.01 . 1 . . . . . 116 ARG H . 50269 1 1052 . 1 . 1 116 116 ARG HA H 1 5.77 0.01 . 1 . . . . . 116 ARG HA . 50269 1 1053 . 1 . 1 116 116 ARG HB2 H 1 1.93 0.01 . 2 . . . . . 116 ARG HB2 . 50269 1 1054 . 1 . 1 116 116 ARG HG2 H 1 0.90 0.01 . 2 . . . . . 116 ARG HG2 . 50269 1 1055 . 1 . 1 116 116 ARG HD2 H 1 2.54 0.01 . 2 . . . . . 116 ARG HD2 . 50269 1 1056 . 1 . 1 116 116 ARG HD3 H 1 2.87 0.01 . 2 . . . . . 116 ARG HD3 . 50269 1 1057 . 1 . 1 116 116 ARG CA C 13 55.15 0.01 . 1 . . . . . 116 ARG CA . 50269 1 1058 . 1 . 1 116 116 ARG CB C 13 32.97 0.01 . 1 . . . . . 116 ARG CB . 50269 1 1059 . 1 . 1 116 116 ARG N N 15 129.8 0.1 . 1 . . . . . 116 ARG N . 50269 1 1060 . 1 . 1 117 117 ILE H H 1 9.79 0.01 . 1 . . . . . 117 ILE H . 50269 1 1061 . 1 . 1 117 117 ILE HA H 1 4.30 0.01 . 1 . . . . . 117 ILE HA . 50269 1 1062 . 1 . 1 117 117 ILE HB H 1 2.51 0.01 . 1 . . . . . 117 ILE HB . 50269 1 1063 . 1 . 1 117 117 ILE HG12 H 1 2.04 0.01 . 2 . . . . . 117 ILE HG12 . 50269 1 1064 . 1 . 1 117 117 ILE HG21 H 1 0.68 0.01 . 1 . . . . . 117 ILE MG . 50269 1 1065 . 1 . 1 117 117 ILE HG22 H 1 0.68 0.01 . 1 . . . . . 117 ILE MG . 50269 1 1066 . 1 . 1 117 117 ILE HG23 H 1 0.68 0.01 . 1 . . . . . 117 ILE MG . 50269 1 1067 . 1 . 1 117 117 ILE HD11 H 1 0.58 0.01 . 1 . . . . . 117 ILE MD . 50269 1 1068 . 1 . 1 117 117 ILE HD12 H 1 0.58 0.01 . 1 . . . . . 117 ILE MD . 50269 1 1069 . 1 . 1 117 117 ILE HD13 H 1 0.58 0.01 . 1 . . . . . 117 ILE MD . 50269 1 1070 . 1 . 1 117 117 ILE CA C 13 60.74 0.01 . 1 . . . . . 117 ILE CA . 50269 1 1071 . 1 . 1 117 117 ILE CB C 13 39.88 0.01 . 1 . . . . . 117 ILE CB . 50269 1 1072 . 1 . 1 117 117 ILE CG2 C 13 17.41 0.01 . 1 . . . . . 117 ILE CG2 . 50269 1 1073 . 1 . 1 117 117 ILE CD1 C 13 14.45 0.01 . 1 . . . . . 117 ILE CD1 . 50269 1 1074 . 1 . 1 117 117 ILE N N 15 127.4 0.1 . 1 . . . . . 117 ILE N . 50269 1 1075 . 1 . 1 118 118 PHE H H 1 8.96 0.01 . 1 . . . . . 118 PHE H . 50269 1 1076 . 1 . 1 118 118 PHE HA H 1 5.58 0.01 . 1 . . . . . 118 PHE HA . 50269 1 1077 . 1 . 1 118 118 PHE HB2 H 1 3.12 0.01 . 2 . . . . . 118 PHE HB2 . 50269 1 1078 . 1 . 1 118 118 PHE HB3 H 1 3.53 0.01 . 2 . . . . . 118 PHE HB3 . 50269 1 1079 . 1 . 1 118 118 PHE HD1 H 1 7.39 0.01 . 3 . . . . . 118 PHE HD1 . 50269 1 1080 . 1 . 1 118 118 PHE HE1 H 1 7.51 0.01 . 3 . . . . . 118 PHE HE1 . 50269 1 1081 . 1 . 1 118 118 PHE CA C 13 56.22 0.01 . 1 . . . . . 118 PHE CA . 50269 1 1082 . 1 . 1 118 118 PHE CB C 13 33.87 0.01 . 1 . . . . . 118 PHE CB . 50269 1 1083 . 1 . 1 118 118 PHE N N 15 128.3 0.1 . 1 . . . . . 118 PHE N . 50269 1 1084 . 1 . 1 119 119 MET H H 1 8.83 0.01 . 1 . . . . . 119 MET H . 50269 1 1085 . 1 . 1 119 119 MET HA H 1 5.11 0.01 . 1 . . . . . 119 MET HA . 50269 1 1086 . 1 . 1 119 119 MET HB2 H 1 1.95 0.01 . 2 . . . . . 119 MET HB2 . 50269 1 1087 . 1 . 1 119 119 MET HG2 H 1 2.66 0.01 . 2 . . . . . 119 MET HG2 . 50269 1 1088 . 1 . 1 119 119 MET HE1 H 1 1.54 0.01 . 1 . . . . . 119 MET ME . 50269 1 1089 . 1 . 1 119 119 MET HE2 H 1 1.54 0.01 . 1 . . . . . 119 MET ME . 50269 1 1090 . 1 . 1 119 119 MET HE3 H 1 1.54 0.01 . 1 . . . . . 119 MET ME . 50269 1 1091 . 1 . 1 119 119 MET CA C 13 52.67 0.01 . 1 . . . . . 119 MET CA . 50269 1 1092 . 1 . 1 119 119 MET CB C 13 35.42 0.01 . 1 . . . . . 119 MET CB . 50269 1 1093 . 1 . 1 119 119 MET CE C 13 14.28 0.01 . 1 . . . . . 119 MET CE . 50269 1 1094 . 1 . 1 119 119 MET N N 15 127.4 0.1 . 1 . . . . . 119 MET N . 50269 1 1095 . 1 . 1 120 120 GLU H H 1 9.57 0.01 . 1 . . . . . 120 GLU H . 50269 1 1096 . 1 . 1 120 120 GLU HA H 1 4.72 0.01 . 1 . . . . . 120 GLU HA . 50269 1 1097 . 1 . 1 120 120 GLU HB2 H 1 1.92 0.01 . 2 . . . . . 120 GLU HB2 . 50269 1 1098 . 1 . 1 120 120 GLU HG2 H 1 3.08 0.01 . 2 . . . . . 120 GLU HG2 . 50269 1 1099 . 1 . 1 120 120 GLU CA C 13 53.25 0.01 . 1 . . . . . 120 GLU CA . 50269 1 1100 . 1 . 1 120 120 GLU CB C 13 33.55 0.01 . 1 . . . . . 120 GLU CB . 50269 1 1101 . 1 . 1 120 120 GLU N N 15 120.3 0.1 . 1 . . . . . 120 GLU N . 50269 1 1102 . 1 . 1 121 121 LYS H H 1 7.47 0.01 . 1 . . . . . 121 LYS H . 50269 1 1103 . 1 . 1 121 121 LYS HA H 1 3.51 0.01 . 1 . . . . . 121 LYS HA . 50269 1 1104 . 1 . 1 121 121 LYS HB2 H 1 1.69 0.01 . 2 . . . . . 121 LYS HB2 . 50269 1 1105 . 1 . 1 121 121 LYS HB3 H 1 1.83 0.01 . 2 . . . . . 121 LYS HB3 . 50269 1 1106 . 1 . 1 121 121 LYS HG2 H 1 1.23 0.01 . 2 . . . . . 121 LYS HG2 . 50269 1 1107 . 1 . 1 121 121 LYS CA C 13 58.66 0.01 . 1 . . . . . 121 LYS CA . 50269 1 1108 . 1 . 1 121 121 LYS CB C 13 33.52 0.01 . 1 . . . . . 121 LYS CB . 50269 1 1109 . 1 . 1 121 121 LYS N N 15 118.6 0.1 . 1 . . . . . 121 LYS N . 50269 1 1110 . 1 . 1 122 122 GLY H H 1 9.18 0.01 . 1 . . . . . 122 GLY H . 50269 1 1111 . 1 . 1 122 122 GLY HA2 H 1 3.75 0.01 . 2 . . . . . 122 GLY HA2 . 50269 1 1112 . 1 . 1 122 122 GLY HA3 H 1 4.77 0.01 . 2 . . . . . 122 GLY HA3 . 50269 1 1113 . 1 . 1 122 122 GLY CA C 13 45.87 0.01 . 1 . . . . . 122 GLY CA . 50269 1 1114 . 1 . 1 122 122 GLY N N 15 117.3 0.01 . 1 . . . . . 122 GLY N . 50269 1 1115 . 1 . 1 123 123 ASP H H 1 8.52 0.01 . 1 . . . . . 123 ASP H . 50269 1 1116 . 1 . 1 123 123 ASP HA H 1 5.04 0.01 . 1 . . . . . 123 ASP HA . 50269 1 1117 . 1 . 1 123 123 ASP HB2 H 1 2.69 0.01 . 2 . . . . . 123 ASP HB2 . 50269 1 1118 . 1 . 1 123 123 ASP HB3 H 1 3.08 0.01 . 2 . . . . . 123 ASP HB3 . 50269 1 1119 . 1 . 1 123 123 ASP CA C 13 54.94 0.01 . 1 . . . . . 123 ASP CA . 50269 1 1120 . 1 . 1 123 123 ASP CB C 13 43.09 0.01 . 1 . . . . . 123 ASP CB . 50269 1 1121 . 1 . 1 123 123 ASP N N 15 122.3 0.1 . 1 . . . . . 123 ASP N . 50269 1 1122 . 1 . 1 124 124 MET H H 1 8.75 0.01 . 1 . . . . . 124 MET H . 50269 1 1123 . 1 . 1 124 124 MET HA H 1 5.12 0.01 . 1 . . . . . 124 MET HA . 50269 1 1124 . 1 . 1 124 124 MET HB2 H 1 1.49 0.01 . 2 . . . . . 124 MET HB2 . 50269 1 1125 . 1 . 1 124 124 MET HB3 H 1 1.65 0.01 . 2 . . . . . 124 MET HB3 . 50269 1 1126 . 1 . 1 124 124 MET HG2 H 1 2.22 0.01 . 2 . . . . . 124 MET HG2 . 50269 1 1127 . 1 . 1 124 124 MET HE1 H 1 0.68 0.01 . 1 . . . . . 124 MET ME . 50269 1 1128 . 1 . 1 124 124 MET HE2 H 1 0.68 0.01 . 1 . . . . . 124 MET ME . 50269 1 1129 . 1 . 1 124 124 MET HE3 H 1 0.68 0.01 . 1 . . . . . 124 MET ME . 50269 1 1130 . 1 . 1 124 124 MET CA C 13 53.75 0.01 . 1 . . . . . 124 MET CA . 50269 1 1131 . 1 . 1 124 124 MET CB C 13 35.33 0.01 . 1 . . . . . 124 MET CB . 50269 1 1132 . 1 . 1 124 124 MET CE C 13 17.36 0.01 . 1 . . . . . 124 MET CE . 50269 1 1133 . 1 . 1 124 124 MET N N 15 125.2 0.1 . 1 . . . . . 124 MET N . 50269 1 1134 . 1 . 1 125 125 VAL H H 1 8.02 0.01 . 1 . . . . . 125 VAL H . 50269 1 1135 . 1 . 1 125 125 VAL HA H 1 4.71 0.01 . 1 . . . . . 125 VAL HA . 50269 1 1136 . 1 . 1 125 125 VAL HB H 1 0.98 0.01 . 1 . . . . . 125 VAL HB . 50269 1 1137 . 1 . 1 125 125 VAL HG11 H 1 -0.82 0.01 . 2 . . . . . 125 VAL MG1 . 50269 1 1138 . 1 . 1 125 125 VAL HG12 H 1 -0.82 0.01 . 2 . . . . . 125 VAL MG1 . 50269 1 1139 . 1 . 1 125 125 VAL HG13 H 1 -0.82 0.01 . 2 . . . . . 125 VAL MG1 . 50269 1 1140 . 1 . 1 125 125 VAL HG21 H 1 -0.43 0.01 . 2 . . . . . 125 VAL MG2 . 50269 1 1141 . 1 . 1 125 125 VAL HG22 H 1 -0.43 0.01 . 2 . . . . . 125 VAL MG2 . 50269 1 1142 . 1 . 1 125 125 VAL HG23 H 1 -0.43 0.01 . 2 . . . . . 125 VAL MG2 . 50269 1 1143 . 1 . 1 125 125 VAL CA C 13 56.90 0.01 . 1 . . . . . 125 VAL CA . 50269 1 1144 . 1 . 1 125 125 VAL CB C 13 35.47 0.01 . 1 . . . . . 125 VAL CB . 50269 1 1145 . 1 . 1 125 125 VAL CG1 C 13 17.97 0.01 . 2 . . . . . 125 VAL CG1 . 50269 1 1146 . 1 . 1 125 125 VAL CG2 C 13 20.48 0.01 . 2 . . . . . 125 VAL CG2 . 50269 1 1147 . 1 . 1 125 125 VAL N N 15 123.4 0.1 . 1 . . . . . 125 VAL N . 50269 1 1148 . 1 . 1 126 126 THR H H 1 6.95 0.01 . 1 . . . . . 126 THR H . 50269 1 1149 . 1 . 1 126 126 THR HA H 1 2.18 0.01 . 1 . . . . . 126 THR HA . 50269 1 1150 . 1 . 1 126 126 THR HB H 1 2.40 0.01 . 1 . . . . . 126 THR HB . 50269 1 1151 . 1 . 1 126 126 THR HG21 H 1 -0.78 0.01 . 1 . . . . . 126 THR MG . 50269 1 1152 . 1 . 1 126 126 THR HG22 H 1 -0.78 0.01 . 1 . . . . . 126 THR MG . 50269 1 1153 . 1 . 1 126 126 THR HG23 H 1 -0.78 0.01 . 1 . . . . . 126 THR MG . 50269 1 1154 . 1 . 1 126 126 THR CA C 13 58.87 0.01 . 1 . . . . . 126 THR CA . 50269 1 1155 . 1 . 1 126 126 THR CB C 13 68.84 0.01 . 1 . . . . . 126 THR CB . 50269 1 1156 . 1 . 1 126 126 THR CG2 C 13 20.62 0.01 . 1 . . . . . 126 THR CG2 . 50269 1 1157 . 1 . 1 126 126 THR N N 15 118.7 0.1 . 1 . . . . . 126 THR N . 50269 1 1158 . 1 . 1 127 127 LEU H H 1 7.56 0.01 . 1 . . . . . 127 LEU H . 50269 1 1159 . 1 . 1 127 127 LEU HA H 1 3.91 0.01 . 1 . . . . . 127 LEU HA . 50269 1 1160 . 1 . 1 127 127 LEU HB2 H 1 0.92 0.01 . 2 . . . . . 127 LEU HB2 . 50269 1 1161 . 1 . 1 127 127 LEU HB3 H 1 0.92 0.01 . 2 . . . . . 127 LEU HB3 . 50269 1 1162 . 1 . 1 127 127 LEU HG H 1 1.20 0.01 . 1 . . . . . 127 LEU HG . 50269 1 1163 . 1 . 1 127 127 LEU HD11 H 1 -0.37 0.01 . 2 . . . . . 127 LEU MD1 . 50269 1 1164 . 1 . 1 127 127 LEU HD12 H 1 -0.37 0.01 . 2 . . . . . 127 LEU MD1 . 50269 1 1165 . 1 . 1 127 127 LEU HD13 H 1 -0.37 0.01 . 2 . . . . . 127 LEU MD1 . 50269 1 1166 . 1 . 1 127 127 LEU HD21 H 1 -0.03 0.01 . 2 . . . . . 127 LEU MD2 . 50269 1 1167 . 1 . 1 127 127 LEU HD22 H 1 -0.03 0.01 . 2 . . . . . 127 LEU MD2 . 50269 1 1168 . 1 . 1 127 127 LEU HD23 H 1 -0.03 0.01 . 2 . . . . . 127 LEU MD2 . 50269 1 1169 . 1 . 1 127 127 LEU CA C 13 54.21 0.01 . 1 . . . . . 127 LEU CA . 50269 1 1170 . 1 . 1 127 127 LEU CB C 13 42.99 0.01 . 1 . . . . . 127 LEU CB . 50269 1 1171 . 1 . 1 127 127 LEU CD1 C 13 26.98 0.01 . 2 . . . . . 127 LEU CD1 . 50269 1 1172 . 1 . 1 127 127 LEU CD2 C 13 26.65 0.01 . 2 . . . . . 127 LEU CD2 . 50269 1 1173 . 1 . 1 127 127 LEU N N 15 121.0 0.1 . 1 . . . . . 127 LEU N . 50269 1 1174 . 1 . 1 129 129 ALA H H 1 8.19 0.01 . 1 . . . . . 129 ALA H . 50269 1 1175 . 1 . 1 129 129 ALA HA H 1 4.75 0.01 . 1 . . . . . 129 ALA HA . 50269 1 1176 . 1 . 1 129 129 ALA HB1 H 1 1.91 0.01 . 1 . . . . . 129 ALA MB . 50269 1 1177 . 1 . 1 129 129 ALA HB2 H 1 1.91 0.01 . 1 . . . . . 129 ALA MB . 50269 1 1178 . 1 . 1 129 129 ALA HB3 H 1 1.91 0.01 . 1 . . . . . 129 ALA MB . 50269 1 1179 . 1 . 1 129 129 ALA CB C 13 16.81 0.01 . 1 . . . . . 129 ALA CB . 50269 1 1180 . 1 . 1 130 130 GLY H H 1 7.30 0.01 . 1 . . . . . 130 GLY H . 50269 1 1181 . 1 . 1 130 130 GLY HA2 H 1 3.35 0.01 . 2 . . . . . 130 GLY HA2 . 50269 1 1182 . 1 . 1 130 130 GLY HA3 H 1 3.51 0.01 . 2 . . . . . 130 GLY HA3 . 50269 1 1183 . 1 . 1 130 130 GLY CA C 13 46.01 0.01 . 1 . . . . . 130 GLY CA . 50269 1 1184 . 1 . 1 130 130 GLY N N 15 118.0 0.1 . 1 . . . . . 130 GLY N . 50269 1 1185 . 1 . 1 131 131 ILE H H 1 6.81 0.01 . 1 . . . . . 131 ILE H . 50269 1 1186 . 1 . 1 131 131 ILE HA H 1 5.14 0.01 . 1 . . . . . 131 ILE HA . 50269 1 1187 . 1 . 1 131 131 ILE HB H 1 0.47 0.01 . 1 . . . . . 131 ILE HB . 50269 1 1188 . 1 . 1 131 131 ILE HG12 H 1 1.23 0.01 . 2 . . . . . 131 ILE HG12 . 50269 1 1189 . 1 . 1 131 131 ILE HG21 H 1 -0.14 0.01 . 1 . . . . . 131 ILE MG . 50269 1 1190 . 1 . 1 131 131 ILE HG22 H 1 -0.14 0.01 . 1 . . . . . 131 ILE MG . 50269 1 1191 . 1 . 1 131 131 ILE HG23 H 1 -0.14 0.01 . 1 . . . . . 131 ILE MG . 50269 1 1192 . 1 . 1 131 131 ILE HD11 H 1 -0.18 0.01 . 1 . . . . . 131 ILE MD . 50269 1 1193 . 1 . 1 131 131 ILE HD12 H 1 -0.18 0.01 . 1 . . . . . 131 ILE MD . 50269 1 1194 . 1 . 1 131 131 ILE HD13 H 1 -0.18 0.01 . 1 . . . . . 131 ILE MD . 50269 1 1195 . 1 . 1 131 131 ILE CG2 C 13 16.84 0.01 . 1 . . . . . 131 ILE CG2 . 50269 1 1196 . 1 . 1 131 131 ILE CD1 C 13 14.47 0.01 . 1 . . . . . 131 ILE CD1 . 50269 1 1197 . 1 . 1 131 131 ILE N N 15 120.7 0.1 . 1 . . . . . 131 ILE N . 50269 1 1198 . 1 . 1 132 132 TYR H H 1 9.04 0.01 . 1 . . . . . 132 TYR H . 50269 1 1199 . 1 . 1 132 132 TYR HA H 1 6.54 0.01 . 1 . . . . . 132 TYR HA . 50269 1 1200 . 1 . 1 132 132 TYR HB2 H 1 3.25 0.01 . 2 . . . . . 132 TYR HB2 . 50269 1 1201 . 1 . 1 132 132 TYR HB3 H 1 3.48 0.01 . 2 . . . . . 132 TYR HB3 . 50269 1 1202 . 1 . 1 132 132 TYR HD1 H 1 5.90 0.01 . 3 . . . . . 132 TYR HD1 . 50269 1 1203 . 1 . 1 132 132 TYR CA C 13 56.36 0.01 . 1 . . . . . 132 TYR CA . 50269 1 1204 . 1 . 1 132 132 TYR CB C 13 42.46 0.01 . 1 . . . . . 132 TYR CB . 50269 1 1205 . 1 . 1 132 132 TYR N N 15 125.6 0.1 . 1 . . . . . 132 TYR N . 50269 1 1206 . 1 . 1 135 135 PHE H H 1 6.50 0.01 . 1 . . . . . 135 PHE H . 50269 1 1207 . 1 . 1 135 135 PHE HA H 1 4.37 0.01 . 1 . . . . . 135 PHE HA . 50269 1 1208 . 1 . 1 135 135 PHE HB2 H 1 2.55 0.01 . 2 . . . . . 135 PHE HB2 . 50269 1 1209 . 1 . 1 135 135 PHE HB3 H 1 3.24 0.01 . 2 . . . . . 135 PHE HB3 . 50269 1 1210 . 1 . 1 135 135 PHE HD1 H 1 7.23 0.01 . 3 . . . . . 135 PHE HD1 . 50269 1 1211 . 1 . 1 135 135 PHE CA C 13 58.99 0.01 . 1 . . . . . 135 PHE CA . 50269 1 1212 . 1 . 1 135 135 PHE CB C 13 39.65 0.01 . 1 . . . . . 135 PHE CB . 50269 1 1213 . 1 . 1 135 135 PHE N N 15 119.9 0.1 . 1 . . . . . 135 PHE N . 50269 1 1214 . 1 . 1 136 136 THR H H 1 9.00 0.01 . 1 . . . . . 136 THR H . 50269 1 1215 . 1 . 1 136 136 THR HA H 1 4.06 0.01 . 1 . . . . . 136 THR HA . 50269 1 1216 . 1 . 1 136 136 THR HB H 1 3.91 0.01 . 1 . . . . . 136 THR HB . 50269 1 1217 . 1 . 1 136 136 THR HG21 H 1 0.82 0.01 . 1 . . . . . 136 THR MG . 50269 1 1218 . 1 . 1 136 136 THR HG22 H 1 0.82 0.01 . 1 . . . . . 136 THR MG . 50269 1 1219 . 1 . 1 136 136 THR HG23 H 1 0.82 0.01 . 1 . . . . . 136 THR MG . 50269 1 1220 . 1 . 1 136 136 THR CA C 13 60.41 0.01 . 1 . . . . . 136 THR CA . 50269 1 1221 . 1 . 1 136 136 THR CB C 13 73.13 0.01 . 1 . . . . . 136 THR CB . 50269 1 1222 . 1 . 1 136 136 THR CG2 C 13 18.74 0.01 . 1 . . . . . 136 THR CG2 . 50269 1 1223 . 1 . 1 136 136 THR N N 15 128.1 0.1 . 1 . . . . . 136 THR N . 50269 1 1224 . 1 . 1 137 137 VAL H H 1 6.01 0.01 . 1 . . . . . 137 VAL H . 50269 1 1225 . 1 . 1 137 137 VAL HA H 1 4.32 0.01 . 1 . . . . . 137 VAL HA . 50269 1 1226 . 1 . 1 137 137 VAL HB H 1 2.92 0.01 . 1 . . . . . 137 VAL HB . 50269 1 1227 . 1 . 1 137 137 VAL HG11 H 1 0.88 0.01 . 2 . . . . . 137 VAL MG1 . 50269 1 1228 . 1 . 1 137 137 VAL HG12 H 1 0.88 0.01 . 2 . . . . . 137 VAL MG1 . 50269 1 1229 . 1 . 1 137 137 VAL HG13 H 1 0.88 0.01 . 2 . . . . . 137 VAL MG1 . 50269 1 1230 . 1 . 1 137 137 VAL HG21 H 1 1.25 0.01 . 2 . . . . . 137 VAL MG2 . 50269 1 1231 . 1 . 1 137 137 VAL HG22 H 1 1.25 0.01 . 2 . . . . . 137 VAL MG2 . 50269 1 1232 . 1 . 1 137 137 VAL HG23 H 1 1.25 0.01 . 2 . . . . . 137 VAL MG2 . 50269 1 1233 . 1 . 1 137 137 VAL CA C 13 62.27 0.01 . 1 . . . . . 137 VAL CA . 50269 1 1234 . 1 . 1 137 137 VAL CB C 13 31.40 0.01 . 1 . . . . . 137 VAL CB . 50269 1 1235 . 1 . 1 137 137 VAL CG1 C 13 17.60 0.01 . 2 . . . . . 137 VAL CG1 . 50269 1 1236 . 1 . 1 137 137 VAL CG2 C 13 21.72 0.01 . 2 . . . . . 137 VAL CG2 . 50269 1 1237 . 1 . 1 137 137 VAL N N 15 115.8 0.1 . 1 . . . . . 137 VAL N . 50269 1 1238 . 1 . 1 138 138 ASP H H 1 8.02 0.01 . 1 . . . . . 138 ASP H . 50269 1 1239 . 1 . 1 138 138 ASP HA H 1 4.30 0.01 . 1 . . . . . 138 ASP HA . 50269 1 1240 . 1 . 1 138 138 ASP HB2 H 1 2.91 0.01 . 2 . . . . . 138 ASP HB2 . 50269 1 1241 . 1 . 1 138 138 ASP CA C 13 52.70 0.01 . 1 . . . . . 138 ASP CA . 50269 1 1242 . 1 . 1 138 138 ASP N N 15 119.1 0.1 . 1 . . . . . 138 ASP N . 50269 1 1243 . 1 . 1 139 139 GLU H H 1 7.87 0.01 . 1 . . . . . 139 GLU H . 50269 1 1244 . 1 . 1 139 139 GLU HA H 1 5.35 0.01 . 1 . . . . . 139 GLU HA . 50269 1 1245 . 1 . 1 139 139 GLU HB2 H 1 2.06 0.01 . 2 . . . . . 139 GLU HB2 . 50269 1 1246 . 1 . 1 139 139 GLU CA C 13 58.86 0.01 . 1 . . . . . 139 GLU CA . 50269 1 1247 . 1 . 1 139 139 GLU CB C 13 29.23 0.01 . 1 . . . . . 139 GLU CB . 50269 1 1248 . 1 . 1 139 139 GLU N N 15 114.7 0.1 . 1 . . . . . 139 GLU N . 50269 1 1249 . 1 . 1 140 140 LYS H H 1 8.79 0.01 . 1 . . . . . 140 LYS H . 50269 1 1250 . 1 . 1 140 140 LYS HA H 1 4.21 0.01 . 1 . . . . . 140 LYS HA . 50269 1 1251 . 1 . 1 140 140 LYS HB2 H 1 1.44 0.01 . 2 . . . . . 140 LYS HB2 . 50269 1 1252 . 1 . 1 140 140 LYS HB3 H 1 1.97 0.01 . 2 . . . . . 140 LYS HB3 . 50269 1 1253 . 1 . 1 140 140 LYS HG2 H 1 1.72 0.01 . 2 . . . . . 140 LYS HG2 . 50269 1 1254 . 1 . 1 140 140 LYS HG3 H 1 2.17 0.01 . 2 . . . . . 140 LYS HG3 . 50269 1 1255 . 1 . 1 140 140 LYS HE2 H 1 3.48 0.01 . 2 . . . . . 140 LYS HE2 . 50269 1 1256 . 1 . 1 140 140 LYS CA C 13 57.32 0.01 . 1 . . . . . 140 LYS CA . 50269 1 1257 . 1 . 1 140 140 LYS CB C 13 31.54 0.01 . 1 . . . . . 140 LYS CB . 50269 1 1258 . 1 . 1 140 140 LYS N N 15 120.0 0.1 . 1 . . . . . 140 LYS N . 50269 1 1259 . 1 . 1 141 141 ASN H H 1 8.35 0.01 . 1 . . . . . 141 ASN H . 50269 1 1260 . 1 . 1 141 141 ASN HA H 1 4.07 0.01 . 1 . . . . . 141 ASN HA . 50269 1 1261 . 1 . 1 141 141 ASN HB2 H 1 2.89 0.01 . 2 . . . . . 141 ASN HB2 . 50269 1 1262 . 1 . 1 141 141 ASN HB3 H 1 3.18 0.01 . 2 . . . . . 141 ASN HB3 . 50269 1 1263 . 1 . 1 141 141 ASN CA C 13 54.86 0.01 . 1 . . . . . 141 ASN CA . 50269 1 1264 . 1 . 1 141 141 ASN CB C 13 37.83 0.01 . 1 . . . . . 141 ASN CB . 50269 1 1265 . 1 . 1 141 141 ASN N N 15 114.9 0.1 . 1 . . . . . 141 ASN N . 50269 1 1266 . 1 . 1 142 142 TYR H H 1 9.77 0.01 . 1 . . . . . 142 TYR H . 50269 1 1267 . 1 . 1 142 142 TYR HA H 1 5.45 0.01 . 1 . . . . . 142 TYR HA . 50269 1 1268 . 1 . 1 142 142 TYR HB2 H 1 2.42 0.01 . 2 . . . . . 142 TYR HB2 . 50269 1 1269 . 1 . 1 142 142 TYR HB3 H 1 3.33 0.01 . 2 . . . . . 142 TYR HB3 . 50269 1 1270 . 1 . 1 142 142 TYR HD1 H 1 7.01 0.01 . 3 . . . . . 142 TYR HD1 . 50269 1 1271 . 1 . 1 142 142 TYR HE1 H 1 6.49 0.01 . 3 . . . . . 142 TYR HE1 . 50269 1 1272 . 1 . 1 142 142 TYR CA C 13 58.89 0.01 . 1 . . . . . 142 TYR CA . 50269 1 1273 . 1 . 1 142 142 TYR CB C 13 39.85 0.01 . 1 . . . . . 142 TYR CB . 50269 1 1274 . 1 . 1 142 142 TYR N N 15 118.0 0.1 . 1 . . . . . 142 TYR N . 50269 1 1275 . 1 . 1 143 143 THR H H 1 8.51 0.01 . 1 . . . . . 143 THR H . 50269 1 1276 . 1 . 1 143 143 THR HA H 1 4.14 0.01 . 1 . . . . . 143 THR HA . 50269 1 1277 . 1 . 1 143 143 THR HB H 1 3.75 0.01 . 1 . . . . . 143 THR HB . 50269 1 1278 . 1 . 1 143 143 THR HG21 H 1 1.23 0.01 . 1 . . . . . 143 THR MG . 50269 1 1279 . 1 . 1 143 143 THR HG22 H 1 1.23 0.01 . 1 . . . . . 143 THR MG . 50269 1 1280 . 1 . 1 143 143 THR HG23 H 1 1.23 0.01 . 1 . . . . . 143 THR MG . 50269 1 1281 . 1 . 1 143 143 THR CA C 13 63.53 0.01 . 1 . . . . . 143 THR CA . 50269 1 1282 . 1 . 1 143 143 THR CB C 13 72.53 0.01 . 1 . . . . . 143 THR CB . 50269 1 1283 . 1 . 1 143 143 THR CG2 C 13 17.00 0.01 . 1 . . . . . 143 THR CG2 . 50269 1 1284 . 1 . 1 143 143 THR N N 15 126.4 0.1 . 1 . . . . . 143 THR N . 50269 1 1285 . 1 . 1 144 144 LYS H H 1 8.47 0.01 . 1 . . . . . 144 LYS H . 50269 1 1286 . 1 . 1 144 144 LYS HA H 1 5.10 0.01 . 1 . . . . . 144 LYS HA . 50269 1 1287 . 1 . 1 144 144 LYS HB2 H 1 2.04 0.01 . 2 . . . . . 144 LYS HB2 . 50269 1 1288 . 1 . 1 144 144 LYS HG2 H 1 1.33 0.01 . 2 . . . . . 144 LYS HG2 . 50269 1 1289 . 1 . 1 144 144 LYS HE2 H 1 2.51 0.01 . 2 . . . . . 144 LYS HE2 . 50269 1 1290 . 1 . 1 144 144 LYS HE3 H 1 2.57 0.01 . 2 . . . . . 144 LYS HE3 . 50269 1 1291 . 1 . 1 144 144 LYS CA C 13 55.24 0.01 . 1 . . . . . 144 LYS CA . 50269 1 1292 . 1 . 1 144 144 LYS CB C 13 32.89 0.01 . 1 . . . . . 144 LYS CB . 50269 1 1293 . 1 . 1 144 144 LYS N N 15 129.8 0.1 . 1 . . . . . 144 LYS N . 50269 1 1294 . 1 . 1 145 145 ALA H H 1 9.29 0.01 . 1 . . . . . 145 ALA H . 50269 1 1295 . 1 . 1 145 145 ALA HA H 1 5.27 0.01 . 1 . . . . . 145 ALA HA . 50269 1 1296 . 1 . 1 145 145 ALA HB1 H 1 1.27 0.01 . 1 . . . . . 145 ALA MB . 50269 1 1297 . 1 . 1 145 145 ALA HB2 H 1 1.27 0.01 . 1 . . . . . 145 ALA MB . 50269 1 1298 . 1 . 1 145 145 ALA HB3 H 1 1.27 0.01 . 1 . . . . . 145 ALA MB . 50269 1 1299 . 1 . 1 145 145 ALA CA C 13 50.15 0.01 . 1 . . . . . 145 ALA CA . 50269 1 1300 . 1 . 1 145 145 ALA CB C 13 21.95 0.01 . 1 . . . . . 145 ALA CB . 50269 1 1301 . 1 . 1 145 145 ALA N N 15 129.3 0.1 . 1 . . . . . 145 ALA N . 50269 1 1302 . 1 . 1 146 146 MET H H 1 9.77 0.01 . 1 . . . . . 146 MET H . 50269 1 1303 . 1 . 1 146 146 MET HA H 1 5.32 0.01 . 1 . . . . . 146 MET HA . 50269 1 1304 . 1 . 1 146 146 MET HB2 H 1 2.15 0.01 . 2 . . . . . 146 MET HB2 . 50269 1 1305 . 1 . 1 146 146 MET HB3 H 1 2.23 0.01 . 2 . . . . . 146 MET HB3 . 50269 1 1306 . 1 . 1 146 146 MET HG2 H 1 2.24 0.01 . 2 . . . . . 146 MET HG2 . 50269 1 1307 . 1 . 1 146 146 MET HE1 H 1 1.98 0.01 . 1 . . . . . 146 MET ME . 50269 1 1308 . 1 . 1 146 146 MET HE2 H 1 1.98 0.01 . 1 . . . . . 146 MET ME . 50269 1 1309 . 1 . 1 146 146 MET HE3 H 1 1.98 0.01 . 1 . . . . . 146 MET ME . 50269 1 1310 . 1 . 1 146 146 MET CA C 13 54.70 0.01 . 1 . . . . . 146 MET CA . 50269 1 1311 . 1 . 1 146 146 MET CB C 13 35.88 0.01 . 1 . . . . . 146 MET CB . 50269 1 1312 . 1 . 1 146 146 MET CG C 13 32.91 0.01 . 1 . . . . . 146 MET CG . 50269 1 1313 . 1 . 1 146 146 MET CE C 13 16.92 0.01 . 1 . . . . . 146 MET CE . 50269 1 1314 . 1 . 1 146 146 MET N N 15 124.1 0.1 . 1 . . . . . 146 MET N . 50269 1 1315 . 1 . 1 147 147 ARG H H 1 9.82 0.01 . 1 . . . . . 147 ARG H . 50269 1 1316 . 1 . 1 147 147 ARG HA H 1 5.36 0.01 . 1 . . . . . 147 ARG HA . 50269 1 1317 . 1 . 1 147 147 ARG HB2 H 1 1.62 0.01 . 2 . . . . . 147 ARG HB2 . 50269 1 1318 . 1 . 1 147 147 ARG HB3 H 1 1.87 0.01 . 2 . . . . . 147 ARG HB3 . 50269 1 1319 . 1 . 1 147 147 ARG HD2 H 1 3.83 0.01 . 2 . . . . . 147 ARG HD2 . 50269 1 1320 . 1 . 1 147 147 ARG HD3 H 1 4.34 0.01 . 2 . . . . . 147 ARG HD3 . 50269 1 1321 . 1 . 1 147 147 ARG CA C 13 56.17 0.01 . 1 . . . . . 147 ARG CA . 50269 1 1322 . 1 . 1 147 147 ARG CB C 13 33.36 0.01 . 1 . . . . . 147 ARG CB . 50269 1 1323 . 1 . 1 147 147 ARG N N 15 128.7 0.1 . 1 . . . . . 147 ARG N . 50269 1 1324 . 1 . 1 148 148 LEU H H 1 7.27 0.01 . 1 . . . . . 148 LEU H . 50269 1 1325 . 1 . 1 148 148 LEU HA H 1 6.03 0.01 . 1 . . . . . 148 LEU HA . 50269 1 1326 . 1 . 1 148 148 LEU HB2 H 1 0.64 0.01 . 2 . . . . . 148 LEU HB2 . 50269 1 1327 . 1 . 1 148 148 LEU HB3 H 1 0.98 0.01 . 2 . . . . . 148 LEU HB3 . 50269 1 1328 . 1 . 1 148 148 LEU HG H 1 1.39 0.01 . 1 . . . . . 148 LEU HG . 50269 1 1329 . 1 . 1 148 148 LEU HD11 H 1 0.47 0.01 . 2 . . . . . 148 LEU MD1 . 50269 1 1330 . 1 . 1 148 148 LEU HD12 H 1 0.47 0.01 . 2 . . . . . 148 LEU MD1 . 50269 1 1331 . 1 . 1 148 148 LEU HD13 H 1 0.47 0.01 . 2 . . . . . 148 LEU MD1 . 50269 1 1332 . 1 . 1 148 148 LEU HD21 H 1 0.80 0.01 . 2 . . . . . 148 LEU MD2 . 50269 1 1333 . 1 . 1 148 148 LEU HD22 H 1 0.80 0.01 . 2 . . . . . 148 LEU MD2 . 50269 1 1334 . 1 . 1 148 148 LEU HD23 H 1 0.80 0.01 . 2 . . . . . 148 LEU MD2 . 50269 1 1335 . 1 . 1 148 148 LEU CA C 13 53.65 0.01 . 1 . . . . . 148 LEU CA . 50269 1 1336 . 1 . 1 148 148 LEU CB C 13 44.49 0.01 . 1 . . . . . 148 LEU CB . 50269 1 1337 . 1 . 1 148 148 LEU CG C 13 28.71 0.01 . 1 . . . . . 148 LEU CG . 50269 1 1338 . 1 . 1 148 148 LEU CD1 C 13 25.73 0.01 . 2 . . . . . 148 LEU CD1 . 50269 1 1339 . 1 . 1 148 148 LEU CD2 C 13 25.81 0.01 . 2 . . . . . 148 LEU CD2 . 50269 1 1340 . 1 . 1 148 148 LEU N N 15 120.4 0.1 . 1 . . . . . 148 LEU N . 50269 1 1341 . 1 . 1 149 149 PHE H H 1 8.92 0.01 . 1 . . . . . 149 PHE H . 50269 1 1342 . 1 . 1 149 149 PHE HA H 1 4.18 0.01 . 1 . . . . . 149 PHE HA . 50269 1 1343 . 1 . 1 149 149 PHE HB2 H 1 2.94 0.01 . 2 . . . . . 149 PHE HB2 . 50269 1 1344 . 1 . 1 149 149 PHE HD1 H 1 7.61 0.01 . 3 . . . . . 149 PHE HD1 . 50269 1 1345 . 1 . 1 149 149 PHE HE1 H 1 7.37 0.01 . 3 . . . . . 149 PHE HE1 . 50269 1 1346 . 1 . 1 149 149 PHE CA C 13 57.77 0.01 . 1 . . . . . 149 PHE CA . 50269 1 1347 . 1 . 1 149 149 PHE N N 15 122.4 0.1 . 1 . . . . . 149 PHE N . 50269 1 1348 . 1 . 1 150 150 VAL H H 1 7.39 0.01 . 1 . . . . . 150 VAL H . 50269 1 1349 . 1 . 1 150 150 VAL HA H 1 4.85 0.01 . 1 . . . . . 150 VAL HA . 50269 1 1350 . 1 . 1 150 150 VAL HB H 1 1.82 0.01 . 1 . . . . . 150 VAL HB . 50269 1 1351 . 1 . 1 150 150 VAL HG11 H 1 0.69 0.01 . 2 . . . . . 150 VAL MG1 . 50269 1 1352 . 1 . 1 150 150 VAL HG12 H 1 0.69 0.01 . 2 . . . . . 150 VAL MG1 . 50269 1 1353 . 1 . 1 150 150 VAL HG13 H 1 0.69 0.01 . 2 . . . . . 150 VAL MG1 . 50269 1 1354 . 1 . 1 150 150 VAL HG21 H 1 0.91 0.01 . 2 . . . . . 150 VAL MG2 . 50269 1 1355 . 1 . 1 150 150 VAL HG22 H 1 0.91 0.01 . 2 . . . . . 150 VAL MG2 . 50269 1 1356 . 1 . 1 150 150 VAL HG23 H 1 0.91 0.01 . 2 . . . . . 150 VAL MG2 . 50269 1 1357 . 1 . 1 150 150 VAL CA C 13 60.94 0.01 . 1 . . . . . 150 VAL CA . 50269 1 1358 . 1 . 1 150 150 VAL CB C 13 29.72 0.01 . 1 . . . . . 150 VAL CB . 50269 1 1359 . 1 . 1 150 150 VAL CG2 C 13 20.72 0.01 . 2 . . . . . 150 VAL CG2 . 50269 1 1360 . 1 . 1 150 150 VAL N N 15 125.5 0.1 . 1 . . . . . 150 VAL N . 50269 1 1361 . 1 . 1 151 151 GLY H H 1 7.51 0.01 . 1 . . . . . 151 GLY H . 50269 1 1362 . 1 . 1 151 151 GLY HA2 H 1 3.68 0.01 . 2 . . . . . 151 GLY HA2 . 50269 1 1363 . 1 . 1 151 151 GLY HA3 H 1 4.39 0.01 . 2 . . . . . 151 GLY HA3 . 50269 1 1364 . 1 . 1 151 151 GLY CA C 13 44.06 0.01 . 1 . . . . . 151 GLY CA . 50269 1 1365 . 1 . 1 151 151 GLY N N 15 117.0 0.1 . 1 . . . . . 151 GLY N . 50269 1 1366 . 1 . 1 152 152 GLU H H 1 7.87 0.01 . 1 . . . . . 152 GLU H . 50269 1 1367 . 1 . 1 152 152 GLU HA H 1 3.96 0.01 . 1 . . . . . 152 GLU HA . 50269 1 1368 . 1 . 1 152 152 GLU HB2 H 1 1.90 0.01 . 2 . . . . . 152 GLU HB2 . 50269 1 1369 . 1 . 1 152 152 GLU HG2 H 1 2.33 0.01 . 2 . . . . . 152 GLU HG2 . 50269 1 1370 . 1 . 1 152 152 GLU CA C 13 54.09 0.01 . 1 . . . . . 152 GLU CA . 50269 1 1371 . 1 . 1 152 152 GLU CB C 13 29.15 0.01 . 1 . . . . . 152 GLU CB . 50269 1 1372 . 1 . 1 152 152 GLU N N 15 118.4 0.1 . 1 . . . . . 152 GLU N . 50269 1 1373 . 1 . 1 153 153 PRO HA H 1 1.74 0.01 . 1 . . . . . 153 PRO HA . 50269 1 1374 . 1 . 1 153 153 PRO HB2 H 1 0.15 0.01 . 2 . . . . . 153 PRO HB2 . 50269 1 1375 . 1 . 1 153 153 PRO HB3 H 1 0.19 0.01 . 2 . . . . . 153 PRO HB3 . 50269 1 1376 . 1 . 1 153 153 PRO HG2 H 1 0.97 0.01 . 2 . . . . . 153 PRO HG2 . 50269 1 1377 . 1 . 1 153 153 PRO HD2 H 1 1.95 0.01 . 2 . . . . . 153 PRO HD2 . 50269 1 1378 . 1 . 1 153 153 PRO HD3 H 1 2.75 0.01 . 2 . . . . . 153 PRO HD3 . 50269 1 1379 . 1 . 1 153 153 PRO CA C 13 62.71 0.01 . 1 . . . . . 153 PRO CA . 50269 1 1380 . 1 . 1 153 153 PRO CB C 13 33.19 0.01 . 1 . . . . . 153 PRO CB . 50269 1 1381 . 1 . 1 153 153 PRO CD C 13 49.45 0.01 . 1 . . . . . 153 PRO CD . 50269 1 1382 . 1 . 1 154 154 VAL H H 1 6.04 0.01 . 1 . . . . . 154 VAL H . 50269 1 1383 . 1 . 1 154 154 VAL HA H 1 3.52 0.01 . 1 . . . . . 154 VAL HA . 50269 1 1384 . 1 . 1 154 154 VAL HB H 1 2.18 0.01 . 1 . . . . . 154 VAL HB . 50269 1 1385 . 1 . 1 154 154 VAL HG11 H 1 0.90 0.01 . 2 . . . . . 154 VAL MG1 . 50269 1 1386 . 1 . 1 154 154 VAL HG12 H 1 0.90 0.01 . 2 . . . . . 154 VAL MG1 . 50269 1 1387 . 1 . 1 154 154 VAL HG13 H 1 0.90 0.01 . 2 . . . . . 154 VAL MG1 . 50269 1 1388 . 1 . 1 154 154 VAL HG21 H 1 0.95 0.01 . 2 . . . . . 154 VAL MG2 . 50269 1 1389 . 1 . 1 154 154 VAL HG22 H 1 0.95 0.01 . 2 . . . . . 154 VAL MG2 . 50269 1 1390 . 1 . 1 154 154 VAL HG23 H 1 0.95 0.01 . 2 . . . . . 154 VAL MG2 . 50269 1 1391 . 1 . 1 154 154 VAL CA C 13 63.28 0.01 . 1 . . . . . 154 VAL CA . 50269 1 1392 . 1 . 1 154 154 VAL CB C 13 31.76 0.01 . 1 . . . . . 154 VAL CB . 50269 1 1393 . 1 . 1 154 154 VAL CG1 C 13 19.21 0.01 . 2 . . . . . 154 VAL CG1 . 50269 1 1394 . 1 . 1 154 154 VAL CG2 C 13 20.50 0.01 . 2 . . . . . 154 VAL CG2 . 50269 1 1395 . 1 . 1 154 154 VAL N N 15 120.8 0.1 . 1 . . . . . 154 VAL N . 50269 1 1396 . 1 . 1 156 156 THR HG21 H 1 1.23 0.01 . 9 . . . . . 156 THR MG . 50269 1 1397 . 1 . 1 156 156 THR HG22 H 1 1.23 0.01 . 9 . . . . . 156 THR MG . 50269 1 1398 . 1 . 1 156 156 THR HG23 H 1 1.23 0.01 . 9 . . . . . 156 THR MG . 50269 1 1399 . 1 . 1 156 156 THR CA C 13 63.59 0.01 . 9 . . . . . 156 THR CA . 50269 1 1400 . 1 . 1 156 156 THR CG2 C 13 22.95 0.01 . 9 . . . . . 156 THR CG2 . 50269 1 1401 . 1 . 1 157 157 ALA H H 1 8.62 0.01 . 1 . . . . . 157 ALA H . 50269 1 1402 . 1 . 1 157 157 ALA HA H 1 5.04 0.01 . 1 . . . . . 157 ALA HA . 50269 1 1403 . 1 . 1 157 157 ALA HB1 H 1 1.87 0.01 . 1 . . . . . 157 ALA MB . 50269 1 1404 . 1 . 1 157 157 ALA HB2 H 1 1.87 0.01 . 1 . . . . . 157 ALA MB . 50269 1 1405 . 1 . 1 157 157 ALA HB3 H 1 1.87 0.01 . 1 . . . . . 157 ALA MB . 50269 1 1406 . 1 . 1 157 157 ALA CA C 13 51.34 0.01 . 1 . . . . . 157 ALA CA . 50269 1 1407 . 1 . 1 157 157 ALA CB C 13 19.86 0.01 . 1 . . . . . 157 ALA CB . 50269 1 1408 . 1 . 1 157 157 ALA N N 15 132.3 0.1 . 1 . . . . . 157 ALA N . 50269 1 1409 . 1 . 1 158 158 TYR H H 1 7.73 0.01 . 1 . . . . . 158 TYR H . 50269 1 1410 . 1 . 1 158 158 TYR HA H 1 4.61 0.01 . 1 . . . . . 158 TYR HA . 50269 1 1411 . 1 . 1 158 158 TYR HB2 H 1 2.57 0.01 . 2 . . . . . 158 TYR HB2 . 50269 1 1412 . 1 . 1 158 158 TYR HB3 H 1 2.98 0.01 . 2 . . . . . 158 TYR HB3 . 50269 1 1413 . 1 . 1 158 158 TYR CA C 13 56.78 0.01 . 1 . . . . . 158 TYR CA . 50269 1 1414 . 1 . 1 158 158 TYR CB C 13 41.61 0.01 . 1 . . . . . 158 TYR CB . 50269 1 1415 . 1 . 1 158 158 TYR N N 15 115.3 0.01 . 1 . . . . . 158 TYR N . 50269 1 1416 . 1 . 1 159 159 ASN H H 1 8.37 0.01 . 1 . . . . . 159 ASN H . 50269 1 1417 . 1 . 1 161 161 PRO CA C 13 66.68 0.01 . 1 . . . . . 161 PRO CA . 50269 1 1418 . 1 . 1 162 162 ALA H H 1 8.67 0.01 . 1 . . . . . 162 ALA H . 50269 1 1419 . 1 . 1 162 162 ALA HA H 1 5.31 0.01 . 1 . . . . . 162 ALA HA . 50269 1 1420 . 1 . 1 162 162 ALA HB1 H 1 1.07 0.01 . 1 . . . . . 162 ALA MB . 50269 1 1421 . 1 . 1 162 162 ALA HB2 H 1 1.07 0.01 . 1 . . . . . 162 ALA MB . 50269 1 1422 . 1 . 1 162 162 ALA HB3 H 1 1.07 0.01 . 1 . . . . . 162 ALA MB . 50269 1 1423 . 1 . 1 162 162 ALA CA C 13 50.61 0.01 . 1 . . . . . 162 ALA CA . 50269 1 1424 . 1 . 1 162 162 ALA CB C 13 17.73 0.01 . 1 . . . . . 162 ALA CB . 50269 1 1425 . 1 . 1 162 162 ALA N N 15 122.2 0.1 . 1 . . . . . 162 ALA N . 50269 1 1426 . 1 . 1 163 163 ASP H H 1 8.92 0.01 . 1 . . . . . 163 ASP H . 50269 1 1427 . 1 . 1 163 163 ASP HA H 1 4.06 0.01 . 1 . . . . . 163 ASP HA . 50269 1 1428 . 1 . 1 163 163 ASP HB2 H 1 2.79 0.01 . 2 . . . . . 163 ASP HB2 . 50269 1 1429 . 1 . 1 163 163 ASP CA C 13 56.38 0.01 . 1 . . . . . 163 ASP CA . 50269 1 1430 . 1 . 1 163 163 ASP CB C 13 38.88 0.01 . 1 . . . . . 163 ASP CB . 50269 1 1431 . 1 . 1 163 163 ASP N N 15 120.3 0.1 . 1 . . . . . 163 ASP N . 50269 1 1432 . 1 . 1 164 164 HIS H H 1 8.11 0.01 . 1 . . . . . 164 HIS H . 50269 1 1433 . 1 . 1 164 164 HIS HA H 1 4.10 0.01 . 1 . . . . . 164 HIS HA . 50269 1 1434 . 1 . 1 164 164 HIS CA C 13 52.34 0.01 . 1 . . . . . 164 HIS CA . 50269 1 1435 . 1 . 1 164 164 HIS N N 15 121.8 0.1 . 1 . . . . . 164 HIS N . 50269 1 1436 . 1 . 1 165 165 PHE H H 1 8.51 0.01 . 1 . . . . . 165 PHE H . 50269 1 1437 . 1 . 1 165 165 PHE HA H 1 5.33 0.01 . 1 . . . . . 165 PHE HA . 50269 1 1438 . 1 . 1 165 165 PHE HB2 H 1 3.39 0.01 . 2 . . . . . 165 PHE HB2 . 50269 1 1439 . 1 . 1 165 165 PHE HD1 H 1 6.84 0.01 . 3 . . . . . 165 PHE HD1 . 50269 1 1440 . 1 . 1 165 165 PHE CA C 13 52.67 0.01 . 1 . . . . . 165 PHE CA . 50269 1 1441 . 1 . 1 165 165 PHE CB C 13 42.09 0.01 . 1 . . . . . 165 PHE CB . 50269 1 1442 . 1 . 1 166 166 GLU H H 1 9.53 0.01 . 1 . . . . . 166 GLU H . 50269 1 1443 . 1 . 1 166 166 GLU HA H 1 3.94 0.01 . 1 . . . . . 166 GLU HA . 50269 1 1444 . 1 . 1 166 166 GLU HB2 H 1 2.13 0.01 . 2 . . . . . 166 GLU HB2 . 50269 1 1445 . 1 . 1 166 166 GLU HG2 H 1 2.45 0.01 . 2 . . . . . 166 GLU HG2 . 50269 1 1446 . 1 . 1 166 166 GLU CA C 13 59.86 0.01 . 1 . . . . . 166 GLU CA . 50269 1 1447 . 1 . 1 166 166 GLU CB C 13 29.39 0.01 . 1 . . . . . 166 GLU CB . 50269 1 1448 . 1 . 1 166 166 GLU N N 15 129.1 0.1 . 1 . . . . . 166 GLU N . 50269 1 1449 . 1 . 1 167 167 ALA H H 1 9.13 0.01 . 1 . . . . . 167 ALA H . 50269 1 1450 . 1 . 1 167 167 ALA HA H 1 4.70 0.01 . 1 . . . . . 167 ALA HA . 50269 1 1451 . 1 . 1 167 167 ALA HB1 H 1 1.13 0.01 . 1 . . . . . 167 ALA MB . 50269 1 1452 . 1 . 1 167 167 ALA HB2 H 1 1.13 0.01 . 1 . . . . . 167 ALA MB . 50269 1 1453 . 1 . 1 167 167 ALA HB3 H 1 1.13 0.01 . 1 . . . . . 167 ALA MB . 50269 1 1454 . 1 . 1 167 167 ALA CA C 13 54.83 0.01 . 1 . . . . . 167 ALA CA . 50269 1 1455 . 1 . 1 167 167 ALA CB C 13 19.03 0.01 . 1 . . . . . 167 ALA CB . 50269 1 1456 . 1 . 1 167 167 ALA N N 15 119.1 0.1 . 1 . . . . . 167 ALA N . 50269 1 1457 . 1 . 1 168 168 ARG H H 1 7.14 0.01 . 1 . . . . . 168 ARG H . 50269 1 1458 . 1 . 1 168 168 ARG HA H 1 4.19 0.01 . 1 . . . . . 168 ARG HA . 50269 1 1459 . 1 . 1 168 168 ARG HB2 H 1 1.88 0.01 . 2 . . . . . 168 ARG HB2 . 50269 1 1460 . 1 . 1 168 168 ARG HG2 H 1 1.68 0.01 . 2 . . . . . 168 ARG HG2 . 50269 1 1461 . 1 . 1 168 168 ARG HD2 H 1 2.95 0.01 . 2 . . . . . 168 ARG HD2 . 50269 1 1462 . 1 . 1 168 168 ARG HD3 H 1 3.31 0.01 . 2 . . . . . 168 ARG HD3 . 50269 1 1463 . 1 . 1 168 168 ARG CA C 13 57.48 0.01 . 1 . . . . . 168 ARG CA . 50269 1 1464 . 1 . 1 168 168 ARG CB C 13 28.93 0.01 . 1 . . . . . 168 ARG CB . 50269 1 1465 . 1 . 1 168 168 ARG CD C 13 45.60 0.01 . 1 . . . . . 168 ARG CD . 50269 1 1466 . 1 . 1 168 168 ARG N N 15 115.1 0.01 . 1 . . . . . 168 ARG N . 50269 1 1467 . 1 . 1 169 169 GLY H H 1 7.88 0.01 . 1 . . . . . 169 GLY H . 50269 1 1468 . 1 . 1 169 169 GLY HA2 H 1 3.82 0.01 . 2 . . . . . 169 GLY HA2 . 50269 1 1469 . 1 . 1 169 169 GLY HA3 H 1 4.02 0.01 . 2 . . . . . 169 GLY HA3 . 50269 1 1470 . 1 . 1 169 169 GLY CA C 13 47.37 0.01 . 1 . . . . . 169 GLY CA . 50269 1 1471 . 1 . 1 169 169 GLY N N 15 107.9 0.1 . 1 . . . . . 169 GLY N . 50269 1 1472 . 1 . 1 170 170 GLN H H 1 8.66 0.01 . 1 . . . . . 170 GLN H . 50269 1 1473 . 1 . 1 170 170 GLN HA H 1 3.95 0.01 . 1 . . . . . 170 GLN HA . 50269 1 1474 . 1 . 1 170 170 GLN HB2 H 1 2.08 0.01 . 2 . . . . . 170 GLN HB2 . 50269 1 1475 . 1 . 1 170 170 GLN HG2 H 1 2.28 0.01 . 2 . . . . . 170 GLN HG2 . 50269 1 1476 . 1 . 1 170 170 GLN CA C 13 58.33 0.01 . 1 . . . . . 170 GLN CA . 50269 1 1477 . 1 . 1 170 170 GLN CB C 13 31.89 0.01 . 1 . . . . . 170 GLN CB . 50269 1 1478 . 1 . 1 171 171 TYR H H 1 7.55 0.01 . 1 . . . . . 171 TYR H . 50269 1 1479 . 1 . 1 171 171 TYR HA H 1 4.11 0.01 . 1 . . . . . 171 TYR HA . 50269 1 1480 . 1 . 1 171 171 TYR HB2 H 1 2.82 0.01 . 2 . . . . . 171 TYR HB2 . 50269 1 1481 . 1 . 1 171 171 TYR HB3 H 1 3.31 0.01 . 2 . . . . . 171 TYR HB3 . 50269 1 1482 . 1 . 1 171 171 TYR HD1 H 1 6.55 0.01 . 3 . . . . . 171 TYR HD1 . 50269 1 1483 . 1 . 1 171 171 TYR HE1 H 1 6.31 0.01 . 3 . . . . . 171 TYR HE1 . 50269 1 1484 . 1 . 1 171 171 TYR CA C 13 61.72 0.01 . 1 . . . . . 171 TYR CA . 50269 1 1485 . 1 . 1 171 171 TYR CB C 13 38.35 0.01 . 1 . . . . . 171 TYR CB . 50269 1 1486 . 1 . 1 171 171 TYR N N 15 124.1 0.1 . 1 . . . . . 171 TYR N . 50269 1 1487 . 1 . 1 172 172 VAL H H 1 8.43 0.01 . 1 . . . . . 172 VAL H . 50269 1 1488 . 1 . 1 172 172 VAL HA H 1 3.32 0.01 . 1 . . . . . 172 VAL HA . 50269 1 1489 . 1 . 1 172 172 VAL HB H 1 2.13 0.01 . 1 . . . . . 172 VAL HB . 50269 1 1490 . 1 . 1 172 172 VAL HG11 H 1 0.98 0.01 . 2 . . . . . 172 VAL MG1 . 50269 1 1491 . 1 . 1 172 172 VAL HG12 H 1 0.98 0.01 . 2 . . . . . 172 VAL MG1 . 50269 1 1492 . 1 . 1 172 172 VAL HG13 H 1 0.98 0.01 . 2 . . . . . 172 VAL MG1 . 50269 1 1493 . 1 . 1 172 172 VAL HG21 H 1 1.10 0.01 . 2 . . . . . 172 VAL MG2 . 50269 1 1494 . 1 . 1 172 172 VAL HG22 H 1 1.10 0.01 . 2 . . . . . 172 VAL MG2 . 50269 1 1495 . 1 . 1 172 172 VAL HG23 H 1 1.10 0.01 . 2 . . . . . 172 VAL MG2 . 50269 1 1496 . 1 . 1 172 172 VAL CA C 13 66.81 0.01 . 1 . . . . . 172 VAL CA . 50269 1 1497 . 1 . 1 172 172 VAL CB C 13 31.80 0.01 . 1 . . . . . 172 VAL CB . 50269 1 1498 . 1 . 1 172 172 VAL CG1 C 13 21.23 0.01 . 2 . . . . . 172 VAL CG1 . 50269 1 1499 . 1 . 1 172 172 VAL CG2 C 13 22.04 0.01 . 2 . . . . . 172 VAL CG2 . 50269 1 1500 . 1 . 1 172 172 VAL N N 15 118.6 0.1 . 1 . . . . . 172 VAL N . 50269 1 1501 . 1 . 1 173 173 LYS H H 1 7.56 0.01 . 1 . . . . . 173 LYS H . 50269 1 1502 . 1 . 1 173 173 LYS HA H 1 3.92 0.01 . 1 . . . . . 173 LYS HA . 50269 1 1503 . 1 . 1 173 173 LYS HB2 H 1 1.72 0.01 . 2 . . . . . 173 LYS HB2 . 50269 1 1504 . 1 . 1 173 173 LYS HB3 H 1 1.75 0.01 . 2 . . . . . 173 LYS HB3 . 50269 1 1505 . 1 . 1 173 173 LYS HG2 H 1 1.25 0.01 . 2 . . . . . 173 LYS HG2 . 50269 1 1506 . 1 . 1 173 173 LYS HG3 H 1 1.46 0.01 . 2 . . . . . 173 LYS HG3 . 50269 1 1507 . 1 . 1 173 173 LYS HE2 H 1 2.83 0.01 . 2 . . . . . 173 LYS HE2 . 50269 1 1508 . 1 . 1 173 173 LYS CA C 13 59.59 0.01 . 1 . . . . . 173 LYS CA . 50269 1 1509 . 1 . 1 173 173 LYS CB C 13 32.60 0.01 . 1 . . . . . 173 LYS CB . 50269 1 1510 . 1 . 1 173 173 LYS N N 15 121.2 0.1 . 1 . . . . . 173 LYS N . 50269 1 1511 . 1 . 1 174 174 PHE H H 1 7.66 0.01 . 1 . . . . . 174 PHE H . 50269 1 1512 . 1 . 1 174 174 PHE HA H 1 4.04 0.01 . 1 . . . . . 174 PHE HA . 50269 1 1513 . 1 . 1 174 174 PHE HB2 H 1 2.92 0.01 . 2 . . . . . 174 PHE HB2 . 50269 1 1514 . 1 . 1 174 174 PHE HB3 H 1 3.15 0.01 . 2 . . . . . 174 PHE HB3 . 50269 1 1515 . 1 . 1 174 174 PHE HD1 H 1 6.72 0.01 . 3 . . . . . 174 PHE HD1 . 50269 1 1516 . 1 . 1 174 174 PHE HE1 H 1 7.00 0.01 . 3 . . . . . 174 PHE HE1 . 50269 1 1517 . 1 . 1 174 174 PHE CA C 13 60.33 0.01 . 1 . . . . . 174 PHE CA . 50269 1 1518 . 1 . 1 174 174 PHE CB C 13 37.37 0.01 . 1 . . . . . 174 PHE CB . 50269 1 1519 . 1 . 1 174 174 PHE N N 15 123.0 0.1 . 1 . . . . . 174 PHE N . 50269 1 1520 . 1 . 1 175 175 LEU H H 1 7.81 0.01 . 1 . . . . . 175 LEU H . 50269 1 1521 . 1 . 1 175 175 LEU HA H 1 3.36 0.01 . 1 . . . . . 175 LEU HA . 50269 1 1522 . 1 . 1 175 175 LEU HB2 H 1 1.07 0.01 . 2 . . . . . 175 LEU HB2 . 50269 1 1523 . 1 . 1 175 175 LEU HB3 H 1 1.69 0.01 . 2 . . . . . 175 LEU HB3 . 50269 1 1524 . 1 . 1 175 175 LEU HG H 1 1.00 0.01 . 1 . . . . . 175 LEU HG . 50269 1 1525 . 1 . 1 175 175 LEU HD11 H 1 0.68 0.01 . 2 . . . . . 175 LEU MD1 . 50269 1 1526 . 1 . 1 175 175 LEU HD12 H 1 0.68 0.01 . 2 . . . . . 175 LEU MD1 . 50269 1 1527 . 1 . 1 175 175 LEU HD13 H 1 0.68 0.01 . 2 . . . . . 175 LEU MD1 . 50269 1 1528 . 1 . 1 175 175 LEU HD21 H 1 0.73 0.01 . 2 . . . . . 175 LEU MD2 . 50269 1 1529 . 1 . 1 175 175 LEU HD22 H 1 0.73 0.01 . 2 . . . . . 175 LEU MD2 . 50269 1 1530 . 1 . 1 175 175 LEU HD23 H 1 0.73 0.01 . 2 . . . . . 175 LEU MD2 . 50269 1 1531 . 1 . 1 175 175 LEU CA C 13 56.59 0.01 . 1 . . . . . 175 LEU CA . 50269 1 1532 . 1 . 1 175 175 LEU CB C 13 42.20 0.01 . 1 . . . . . 175 LEU CB . 50269 1 1533 . 1 . 1 175 175 LEU CD1 C 13 26.15 0.01 . 2 . . . . . 175 LEU CD1 . 50269 1 1534 . 1 . 1 175 175 LEU N N 15 120.8 0.1 . 1 . . . . . 175 LEU N . 50269 1 1535 . 1 . 1 176 176 ALA H H 1 7.33 0.01 . 1 . . . . . 176 ALA H . 50269 1 1536 . 1 . 1 176 176 ALA HA H 1 4.02 0.01 . 1 . . . . . 176 ALA HA . 50269 1 1537 . 1 . 1 176 176 ALA HB1 H 1 1.35 0.01 . 1 . . . . . 176 ALA MB . 50269 1 1538 . 1 . 1 176 176 ALA HB2 H 1 1.35 0.01 . 1 . . . . . 176 ALA MB . 50269 1 1539 . 1 . 1 176 176 ALA HB3 H 1 1.35 0.01 . 1 . . . . . 176 ALA MB . 50269 1 1540 . 1 . 1 176 176 ALA CA C 13 53.23 0.01 . 1 . . . . . 176 ALA CA . 50269 1 1541 . 1 . 1 176 176 ALA CB C 13 18.34 0.01 . 1 . . . . . 176 ALA CB . 50269 1 1542 . 1 . 1 176 176 ALA N N 15 119.2 0.1 . 1 . . . . . 176 ALA N . 50269 1 1543 . 1 . 1 177 177 GLN H H 1 7.40 0.01 . 1 . . . . . 177 GLN H . 50269 1 1544 . 1 . 1 177 177 GLN HA H 1 4.06 0.01 . 1 . . . . . 177 GLN HA . 50269 1 1545 . 1 . 1 177 177 GLN HB2 H 1 1.89 0.01 . 2 . . . . . 177 GLN HB2 . 50269 1 1546 . 1 . 1 177 177 GLN HG2 H 1 2.25 0.01 . 2 . . . . . 177 GLN HG2 . 50269 1 1547 . 1 . 1 177 177 GLN CA C 13 56.11 0.01 . 1 . . . . . 177 GLN CA . 50269 1 1548 . 1 . 1 177 177 GLN CB C 13 28.91 0.01 . 1 . . . . . 177 GLN CB . 50269 1 1549 . 1 . 1 177 177 GLN N N 15 116.0 0.1 . 1 . . . . . 177 GLN N . 50269 1 1550 . 1 . 1 178 178 THR H H 1 7.36 0.01 . 1 . . . . . 178 THR H . 50269 1 1551 . 1 . 1 178 178 THR HA H 1 4.09 0.01 . 1 . . . . . 178 THR HA . 50269 1 1552 . 1 . 1 178 178 THR HB H 1 3.90 0.01 . 1 . . . . . 178 THR HB . 50269 1 1553 . 1 . 1 178 178 THR HG21 H 1 0.82 0.01 . 1 . . . . . 178 THR MG . 50269 1 1554 . 1 . 1 178 178 THR HG22 H 1 0.82 0.01 . 1 . . . . . 178 THR MG . 50269 1 1555 . 1 . 1 178 178 THR HG23 H 1 0.82 0.01 . 1 . . . . . 178 THR MG . 50269 1 1556 . 1 . 1 178 178 THR CA C 13 61.35 0.01 . 1 . . . . . 178 THR CA . 50269 1 1557 . 1 . 1 178 178 THR CB C 13 70.16 0.01 . 1 . . . . . 178 THR CB . 50269 1 1558 . 1 . 1 178 178 THR CG2 C 13 21.27 0.01 . 1 . . . . . 178 THR CG2 . 50269 1 1559 . 1 . 1 178 178 THR N N 15 113.1 0.1 . 1 . . . . . 178 THR N . 50269 1 1560 . 1 . 1 179 179 ALA H H 1 7.66 0.01 . 1 . . . . . 179 ALA H . 50269 1 1561 . 1 . 1 179 179 ALA HA H 1 3.87 0.01 . 1 . . . . . 179 ALA HA . 50269 1 1562 . 1 . 1 179 179 ALA HB1 H 1 1.16 0.01 . 1 . . . . . 179 ALA MB . 50269 1 1563 . 1 . 1 179 179 ALA HB2 H 1 1.16 0.01 . 1 . . . . . 179 ALA MB . 50269 1 1564 . 1 . 1 179 179 ALA HB3 H 1 1.16 0.01 . 1 . . . . . 179 ALA MB . 50269 1 1565 . 1 . 1 179 179 ALA CA C 13 52.77 0.01 . 1 . . . . . 179 ALA CA . 50269 1 1566 . 1 . 1 179 179 ALA CB C 13 19.60 0.01 . 1 . . . . . 179 ALA CB . 50269 1 1567 . 1 . 1 179 179 ALA N N 15 131.3 0.1 . 1 . . . . . 179 ALA N . 50269 1 stop_ save_