data_27284 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27284 _Entry.Title ; Backbone and side chain resonance assignment of the H-NOX domain from Shewanella woodyi in the Fe(II)CO ligation state ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2017-10-16 _Entry.Accession_date 2017-10-16 _Entry.Last_release_date 2017-10-16 _Entry.Original_release_date 2017-10-16 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _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 . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 William Montfort . R. . . 27284 2 Cheng-Yu Chen . . . . 27284 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'University of Arizona, Department of Chemistry & Biochemistry' . 27284 2 . 'University of Wisconsin-Madison, NMRFAM' . 27284 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27284 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 657 27284 '15N chemical shifts' 179 27284 '1H chemical shifts' 1161 27284 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2018-03-28 2017-10-16 update BMRB 'update entry citation' 27284 1 . . 2018-01-29 2017-10-16 original author 'original release' 27284 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 27284 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.1074/jbc.RA117.000457 _Citation.PubMed_ID 29222330 _Citation.Full_citation . _Citation.Title ; Discovery of stimulator binding to a conserved pocket in the heme domain of soluble guanylyl cyclase. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full 'The Journal of biological chemistry' _Citation.Journal_volume 293 _Citation.Journal_issue 5 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1083-351X _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 1850 _Citation.Page_last 1864 _Citation.Year 2018 _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 Jessica Wales J. A. . . 27284 1 2 Cheng-Yu Chen C. Y. . . 27284 1 3 Linda Breci L. . . . 27284 1 4 Andrzej Weichsel A. . . . 27284 1 5 Sylvie Bernier S. G. . . 27284 1 6 James Sheppeck J. E. . . 27284 1 7 Robert Solinga R. . . . 27284 1 8 Takashi Nakai T. . . . 27284 1 9 Paul Renhowe P. A. . . 27284 1 10 Joon Jung J. . . . 27284 1 11 William Montfort W. R. . . 27284 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID NMR 27284 1 sGC 27284 1 'stimulator binding' 27284 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27284 _Assembly.ID 1 _Assembly.Name SWHNOX-HEME-CO _Assembly.BMRB_code . _Assembly.Number_of_components 3 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 23544 _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 SWHNOX 1 $SWHNOX A . yes native no no . . . 27284 1 2 HEME 2 $entity_HEM B . no native no no . . . 27284 1 3 CO 3 $entity_CMO C . no native no no . . . 27284 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_SWHNOX _Entity.Sf_category entity _Entity.Sf_framecode SWHNOX _Entity.Entry_ID 27284 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name SWHNOX _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 ; MMGMVFTGLMELIEDEFGYE TLDTLLESCELQSEGIYTSV GSYDHQELLQLVVKLSEVSS VPVTELVRLFGKKLFVELIE GHPEIANEMKDSFDLLSKID SFIHVEVYKLYPQAELPKFT CDRLGDNDIRLHYQSKRPFA SFAEGLLDGCAEYFKEDFTI SRTPETQDSETDVIFNITRA PRGAENLYFQ ; _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 190 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 . 27284 1 2 . MET . 27284 1 3 . GLY . 27284 1 4 . MET . 27284 1 5 . VAL . 27284 1 6 . PHE . 27284 1 7 . THR . 27284 1 8 . GLY . 27284 1 9 . LEU . 27284 1 10 . MET . 27284 1 11 . GLU . 27284 1 12 . LEU . 27284 1 13 . ILE . 27284 1 14 . GLU . 27284 1 15 . ASP . 27284 1 16 . GLU . 27284 1 17 . PHE . 27284 1 18 . GLY . 27284 1 19 . TYR . 27284 1 20 . GLU . 27284 1 21 . THR . 27284 1 22 . LEU . 27284 1 23 . ASP . 27284 1 24 . THR . 27284 1 25 . LEU . 27284 1 26 . LEU . 27284 1 27 . GLU . 27284 1 28 . SER . 27284 1 29 . CYS . 27284 1 30 . GLU . 27284 1 31 . LEU . 27284 1 32 . GLN . 27284 1 33 . SER . 27284 1 34 . GLU . 27284 1 35 . GLY . 27284 1 36 . ILE . 27284 1 37 . TYR . 27284 1 38 . THR . 27284 1 39 . SER . 27284 1 40 . VAL . 27284 1 41 . GLY . 27284 1 42 . SER . 27284 1 43 . TYR . 27284 1 44 . ASP . 27284 1 45 . HIS . 27284 1 46 . GLN . 27284 1 47 . GLU . 27284 1 48 . LEU . 27284 1 49 . LEU . 27284 1 50 . GLN . 27284 1 51 . LEU . 27284 1 52 . VAL . 27284 1 53 . VAL . 27284 1 54 . LYS . 27284 1 55 . LEU . 27284 1 56 . SER . 27284 1 57 . GLU . 27284 1 58 . VAL . 27284 1 59 . SER . 27284 1 60 . SER . 27284 1 61 . VAL . 27284 1 62 . PRO . 27284 1 63 . VAL . 27284 1 64 . THR . 27284 1 65 . GLU . 27284 1 66 . LEU . 27284 1 67 . VAL . 27284 1 68 . ARG . 27284 1 69 . LEU . 27284 1 70 . PHE . 27284 1 71 . GLY . 27284 1 72 . LYS . 27284 1 73 . LYS . 27284 1 74 . LEU . 27284 1 75 . PHE . 27284 1 76 . VAL . 27284 1 77 . GLU . 27284 1 78 . LEU . 27284 1 79 . ILE . 27284 1 80 . GLU . 27284 1 81 . GLY . 27284 1 82 . HIS . 27284 1 83 . PRO . 27284 1 84 . GLU . 27284 1 85 . ILE . 27284 1 86 . ALA . 27284 1 87 . ASN . 27284 1 88 . GLU . 27284 1 89 . MET . 27284 1 90 . LYS . 27284 1 91 . ASP . 27284 1 92 . SER . 27284 1 93 . PHE . 27284 1 94 . ASP . 27284 1 95 . LEU . 27284 1 96 . LEU . 27284 1 97 . SER . 27284 1 98 . LYS . 27284 1 99 . ILE . 27284 1 100 . ASP . 27284 1 101 . SER . 27284 1 102 . PHE . 27284 1 103 . ILE . 27284 1 104 . HIS . 27284 1 105 . VAL . 27284 1 106 . GLU . 27284 1 107 . VAL . 27284 1 108 . TYR . 27284 1 109 . LYS . 27284 1 110 . LEU . 27284 1 111 . TYR . 27284 1 112 . PRO . 27284 1 113 . GLN . 27284 1 114 . ALA . 27284 1 115 . GLU . 27284 1 116 . LEU . 27284 1 117 . PRO . 27284 1 118 . LYS . 27284 1 119 . PHE . 27284 1 120 . THR . 27284 1 121 . CYS . 27284 1 122 . ASP . 27284 1 123 . ARG . 27284 1 124 . LEU . 27284 1 125 . GLY . 27284 1 126 . ASP . 27284 1 127 . ASN . 27284 1 128 . ASP . 27284 1 129 . ILE . 27284 1 130 . ARG . 27284 1 131 . LEU . 27284 1 132 . HIS . 27284 1 133 . TYR . 27284 1 134 . GLN . 27284 1 135 . SER . 27284 1 136 . LYS . 27284 1 137 . ARG . 27284 1 138 . PRO . 27284 1 139 . PHE . 27284 1 140 . ALA . 27284 1 141 . SER . 27284 1 142 . PHE . 27284 1 143 . ALA . 27284 1 144 . GLU . 27284 1 145 . GLY . 27284 1 146 . LEU . 27284 1 147 . LEU . 27284 1 148 . ASP . 27284 1 149 . GLY . 27284 1 150 . CYS . 27284 1 151 . ALA . 27284 1 152 . GLU . 27284 1 153 . TYR . 27284 1 154 . PHE . 27284 1 155 . LYS . 27284 1 156 . GLU . 27284 1 157 . ASP . 27284 1 158 . PHE . 27284 1 159 . THR . 27284 1 160 . ILE . 27284 1 161 . SER . 27284 1 162 . ARG . 27284 1 163 . THR . 27284 1 164 . PRO . 27284 1 165 . GLU . 27284 1 166 . THR . 27284 1 167 . GLN . 27284 1 168 . ASP . 27284 1 169 . SER . 27284 1 170 . GLU . 27284 1 171 . THR . 27284 1 172 . ASP . 27284 1 173 . VAL . 27284 1 174 . ILE . 27284 1 175 . PHE . 27284 1 176 . ASN . 27284 1 177 . ILE . 27284 1 178 . THR . 27284 1 179 . ARG . 27284 1 180 . ALA . 27284 1 181 . PRO . 27284 1 182 . ARG . 27284 1 183 . GLY . 27284 1 184 . ALA . 27284 1 185 . GLU . 27284 1 186 . ASN . 27284 1 187 . LEU . 27284 1 188 . TYR . 27284 1 189 . PHE . 27284 1 190 . GLN . 27284 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 27284 1 . MET 2 2 27284 1 . GLY 3 3 27284 1 . MET 4 4 27284 1 . VAL 5 5 27284 1 . PHE 6 6 27284 1 . THR 7 7 27284 1 . GLY 8 8 27284 1 . LEU 9 9 27284 1 . MET 10 10 27284 1 . GLU 11 11 27284 1 . LEU 12 12 27284 1 . ILE 13 13 27284 1 . GLU 14 14 27284 1 . ASP 15 15 27284 1 . GLU 16 16 27284 1 . PHE 17 17 27284 1 . GLY 18 18 27284 1 . TYR 19 19 27284 1 . GLU 20 20 27284 1 . THR 21 21 27284 1 . LEU 22 22 27284 1 . ASP 23 23 27284 1 . THR 24 24 27284 1 . LEU 25 25 27284 1 . LEU 26 26 27284 1 . GLU 27 27 27284 1 . SER 28 28 27284 1 . CYS 29 29 27284 1 . GLU 30 30 27284 1 . LEU 31 31 27284 1 . GLN 32 32 27284 1 . SER 33 33 27284 1 . GLU 34 34 27284 1 . GLY 35 35 27284 1 . ILE 36 36 27284 1 . TYR 37 37 27284 1 . THR 38 38 27284 1 . SER 39 39 27284 1 . VAL 40 40 27284 1 . GLY 41 41 27284 1 . SER 42 42 27284 1 . TYR 43 43 27284 1 . ASP 44 44 27284 1 . HIS 45 45 27284 1 . GLN 46 46 27284 1 . GLU 47 47 27284 1 . LEU 48 48 27284 1 . LEU 49 49 27284 1 . GLN 50 50 27284 1 . LEU 51 51 27284 1 . VAL 52 52 27284 1 . VAL 53 53 27284 1 . LYS 54 54 27284 1 . LEU 55 55 27284 1 . SER 56 56 27284 1 . GLU 57 57 27284 1 . VAL 58 58 27284 1 . SER 59 59 27284 1 . SER 60 60 27284 1 . VAL 61 61 27284 1 . PRO 62 62 27284 1 . VAL 63 63 27284 1 . THR 64 64 27284 1 . GLU 65 65 27284 1 . LEU 66 66 27284 1 . VAL 67 67 27284 1 . ARG 68 68 27284 1 . LEU 69 69 27284 1 . PHE 70 70 27284 1 . GLY 71 71 27284 1 . LYS 72 72 27284 1 . LYS 73 73 27284 1 . LEU 74 74 27284 1 . PHE 75 75 27284 1 . VAL 76 76 27284 1 . GLU 77 77 27284 1 . LEU 78 78 27284 1 . ILE 79 79 27284 1 . GLU 80 80 27284 1 . GLY 81 81 27284 1 . HIS 82 82 27284 1 . PRO 83 83 27284 1 . GLU 84 84 27284 1 . ILE 85 85 27284 1 . ALA 86 86 27284 1 . ASN 87 87 27284 1 . GLU 88 88 27284 1 . MET 89 89 27284 1 . LYS 90 90 27284 1 . ASP 91 91 27284 1 . SER 92 92 27284 1 . PHE 93 93 27284 1 . ASP 94 94 27284 1 . LEU 95 95 27284 1 . LEU 96 96 27284 1 . SER 97 97 27284 1 . LYS 98 98 27284 1 . ILE 99 99 27284 1 . ASP 100 100 27284 1 . SER 101 101 27284 1 . PHE 102 102 27284 1 . ILE 103 103 27284 1 . HIS 104 104 27284 1 . VAL 105 105 27284 1 . GLU 106 106 27284 1 . VAL 107 107 27284 1 . TYR 108 108 27284 1 . LYS 109 109 27284 1 . LEU 110 110 27284 1 . TYR 111 111 27284 1 . PRO 112 112 27284 1 . GLN 113 113 27284 1 . ALA 114 114 27284 1 . GLU 115 115 27284 1 . LEU 116 116 27284 1 . PRO 117 117 27284 1 . LYS 118 118 27284 1 . PHE 119 119 27284 1 . THR 120 120 27284 1 . CYS 121 121 27284 1 . ASP 122 122 27284 1 . ARG 123 123 27284 1 . LEU 124 124 27284 1 . GLY 125 125 27284 1 . ASP 126 126 27284 1 . ASN 127 127 27284 1 . ASP 128 128 27284 1 . ILE 129 129 27284 1 . ARG 130 130 27284 1 . LEU 131 131 27284 1 . HIS 132 132 27284 1 . TYR 133 133 27284 1 . GLN 134 134 27284 1 . SER 135 135 27284 1 . LYS 136 136 27284 1 . ARG 137 137 27284 1 . PRO 138 138 27284 1 . PHE 139 139 27284 1 . ALA 140 140 27284 1 . SER 141 141 27284 1 . PHE 142 142 27284 1 . ALA 143 143 27284 1 . GLU 144 144 27284 1 . GLY 145 145 27284 1 . LEU 146 146 27284 1 . LEU 147 147 27284 1 . ASP 148 148 27284 1 . GLY 149 149 27284 1 . CYS 150 150 27284 1 . ALA 151 151 27284 1 . GLU 152 152 27284 1 . TYR 153 153 27284 1 . PHE 154 154 27284 1 . LYS 155 155 27284 1 . GLU 156 156 27284 1 . ASP 157 157 27284 1 . PHE 158 158 27284 1 . THR 159 159 27284 1 . ILE 160 160 27284 1 . SER 161 161 27284 1 . ARG 162 162 27284 1 . THR 163 163 27284 1 . PRO 164 164 27284 1 . GLU 165 165 27284 1 . THR 166 166 27284 1 . GLN 167 167 27284 1 . ASP 168 168 27284 1 . SER 169 169 27284 1 . GLU 170 170 27284 1 . THR 171 171 27284 1 . ASP 172 172 27284 1 . VAL 173 173 27284 1 . ILE 174 174 27284 1 . PHE 175 175 27284 1 . ASN 176 176 27284 1 . ILE 177 177 27284 1 . THR 178 178 27284 1 . ARG 179 179 27284 1 . ALA 180 180 27284 1 . PRO 181 181 27284 1 . ARG 182 182 27284 1 . GLY 183 183 27284 1 . ALA 184 184 27284 1 . GLU 185 185 27284 1 . ASN 186 186 27284 1 . LEU 187 187 27284 1 . TYR 188 188 27284 1 . PHE 189 189 27284 1 . GLN 190 190 27284 1 stop_ save_ save_entity_HEM _Entity.Sf_category entity _Entity.Sf_framecode entity_HEM _Entity.Entry_ID 27284 _Entity.ID 2 _Entity.BMRB_code HEM _Entity.Name entity_HEM _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 HEM _Entity.Nonpolymer_comp_label $chem_comp_HEM _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 616.487 _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 'PROTOPORPHYRIN IX CONTAINING FE' BMRB 27284 2 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 'PROTOPORPHYRIN IX CONTAINING FE' BMRB 27284 2 HEM 'Three letter code' 27284 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 HEM $chem_comp_HEM 27284 2 stop_ save_ save_entity_CMO _Entity.Sf_category entity _Entity.Sf_framecode entity_CMO _Entity.Entry_ID 27284 _Entity.ID 3 _Entity.BMRB_code CMO _Entity.Name entity_CMO _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 CMO _Entity.Nonpolymer_comp_label $chem_comp_CMO _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 3 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 28.010 _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 'CARBON MONOXIDE' BMRB 27284 3 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 'CARBON MONOXIDE' BMRB 27284 3 CMO 'Three letter code' 27284 3 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 CMO $chem_comp_CMO 27284 3 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 27284 _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 $SWHNOX . 60961 organism . 'Shewanella woodyi' 'Shewanella woodyi' . . Bacteria . Shewanella woodyi . . . . . . . . . . . . . 27284 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 27284 _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 $SWHNOX . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli Tuner(DE3)-pLysS . . . . . pET21b+ . . . 27284 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_HEM _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_HEM _Chem_comp.Entry_ID 27284 _Chem_comp.ID HEM _Chem_comp.Provenance PDB _Chem_comp.Name 'PROTOPORPHYRIN IX CONTAINING FE' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code HEM _Chem_comp.PDB_code HEM _Chem_comp.Ambiguous_flag yes _Chem_comp.Initial_date 2016-01-20 _Chem_comp.Modified_date 2016-01-20 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces MHM _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code HEM _Chem_comp.Number_atoms_all 75 _Chem_comp.Number_atoms_nh 43 _Chem_comp.Atom_nomenclature_source . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code ; InChI=1S/C34H34N4O4.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h7-8,13-16H,1-2,9-12H2,3-6H3,(H4,35,36,37,38,39,40,41,42);/q;+2/p-2/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16-; ; _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 HEME _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic yes _Chem_comp.Formula 'C34 H32 Fe N4 O4' _Chem_comp.Formula_weight 616.487 _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 Corina _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code 3IA3 _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 C=1c3c(c(c4C=C5C(=C(C=6C=C7C(=C(C8=CC=2C(=C(C=1N=2[Fe](n34)(N5=6)N78)CCC(=O)O)C)\C=C)C)\C=C)C)C)CCC(=O)O SMILES ACDLabs 12.01 27284 HEM CC1=C(CCC(O)=O)C2=Cc3n4[Fe]5|6|N2=C1C=c7n5c(=CC8=N|6C(=Cc4c(C)c3CCC(O)=O)C(=C8C=C)C)c(C)c7C=C SMILES CACTVS 3.385 27284 HEM CC1=C(CCC(O)=O)C2=Cc3n4[Fe]5|6|N2=C1C=c7n5c(=CC8=N|6C(=Cc4c(C)c3CCC(O)=O)C(=C8C=C)C)c(C)c7C=C SMILES_CANONICAL CACTVS 3.385 27284 HEM Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O SMILES 'OpenEye OEToolkits' 1.7.6 27284 HEM Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O SMILES_CANONICAL 'OpenEye OEToolkits' 1.7.6 27284 HEM ; InChI=1S/C34H34N4O4.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h7-8,13-16H,1-2,9-12H2,3-6H3,(H4,35,36,37,38,39,40,41,42);/q;+2/p-2/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16-; ; InChI InChI 1.03 27284 HEM KABFMIBPWCXCRK-RGGAHWMASA-L InChIKey InChI 1.03 27284 HEM 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 '3-[(5Z,10Z,14Z,19Z)-18-(2-carboxyethyl)-8,13-bis(ethenyl)-3,7,12,17-tetramethyl-21,23-dihydroporphyrin-2-yl]propanoic acid' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.6.1 27284 HEM [3,3'-(7,12-diethenyl-3,8,13,17-tetramethylporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~)dipropanoato(2-)]iron 'SYSTEMATIC NAME' ACDLabs 12.01 27284 HEM 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 CHA CHA CHA CHA . C . . N 0 . . . 1 no no . . . . 2.748 . -19.531 . 39.896 . -2.161 -0.125 0.490 1 . 27284 HEM CHB CHB CHB CHB . C . . N 0 . . . 1 no no . . . . 3.258 . -17.744 . 35.477 . 1.458 -3.419 0.306 2 . 27284 HEM CHC CHC CHC CHC . C . . N 0 . . . 1 no no . . . . 1.703 . -21.900 . 33.637 . 4.701 0.169 -0.069 3 . 27284 HEM CHD CHD CHD CHD . C . . N 0 . . . 1 no no . . . . 1.149 . -23.677 . 38.059 . 1.075 3.460 0.018 4 . 27284 HEM C1A C1A C1A C1A . C . . N 0 . . . 1 yes no . . . . 3.031 . -18.673 . 38.872 . -1.436 -1.305 0.380 5 . 27284 HEM C2A C2A C2A C2A . C . . N 0 . . . 1 yes no . . . . 3.578 . -17.325 . 39.013 . -2.015 -2.587 0.320 6 . 27284 HEM C3A C3A C3A C3A . C . . N 0 . . . 1 yes no . . . . 3.705 . -16.820 . 37.785 . -1.009 -3.500 0.270 7 . 27284 HEM C4A C4A C4A C4A . C . . N 0 . . . 1 yes no . . . . 3.256 . -17.863 . 36.862 . 0.216 -2.803 0.298 8 . 27284 HEM CMA CMA CMA CMA . C . . N 0 . . . 1 no no . . . . 4.227 . -15.469 . 37.393 . -1.175 -4.996 0.197 9 . 27284 HEM CAA CAA CAA CAA . C . . N 0 . . . 1 no no . . . . 3.945 . -16.670 . 40.296 . -3.490 -2.893 0.314 10 . 27284 HEM CBA CBA CBA CBA . C . . N 0 . . . 1 no no . . . . 5.391 . -17.138 . 40.581 . -3.998 -2.926 -1.129 11 . 27284 HEM CGA CGA CGA CGA . C . . N 0 . . . 1 no no . . . . 6.095 . -16.663 . 41.825 . -5.473 -3.232 -1.136 12 . 27284 HEM O1A O1A O1A O1A . O . . N 0 . . . 1 no no . . . . 7.098 . -15.928 . 41.683 . -6.059 -3.405 -0.094 13 . 27284 HEM O2A O2A O2A O2A . O . . N 0 . . . 1 no no . . . . 5.657 . -17.040 . 42.940 . -6.137 -3.311 -2.300 14 . 27284 HEM C1B C1B C1B C1B . C . . N 0 . . . 1 no no . . . . 2.888 . -18.698 . 34.579 . 2.664 -2.707 0.308 15 . 27284 HEM C2B C2B C2B C2B . C . . N 0 . . . 1 no no . . . . 2.933 . -18.535 . 33.146 . 3.937 -3.328 0.418 16 . 27284 HEM C3B C3B C3B C3B . C . . N 0 . . . 1 no no . . . . 2.499 . -19.716 . 32.632 . 4.874 -2.341 0.314 17 . 27284 HEM C4B C4B C4B C4B . C . . N 0 . . . 1 no no . . . . 2.187 . -20.580 . 33.743 . 4.117 -1.079 0.139 18 . 27284 HEM CMB CMB CMB CMB . C . . N 0 . . . 1 no no . . . . 3.391 . -17.290 . 32.422 . 4.203 -4.798 0.613 19 . 27284 HEM CAB CAB CAB CAB . C . . N 0 . . . 1 no no . . . . 2.345 . -20.140 . 31.217 . 6.339 -2.497 0.365 20 . 27284 HEM CBB CBB CBB CBB . C . . N 0 . . . 1 no no . . . . 1.755 . -19.492 . 30.233 . 6.935 -3.419 -0.385 21 . 27284 HEM C1C C1C C1C C1C . C . . N 0 . . . 1 yes no . . . . 1.395 . -22.786 . 34.659 . 3.964 1.345 -0.174 22 . 27284 HEM C2C C2C C2C C2C . C . . N 0 . . . 1 yes no . . . . 0.854 . -24.130 . 34.500 . 4.531 2.601 -0.445 23 . 27284 HEM C3C C3C C3C C3C . C . . N 0 . . . 1 yes no . . . . 0.689 . -24.626 . 35.757 . 3.510 3.536 -0.437 24 . 27284 HEM C4C C4C C4C C4C . C . . N 0 . . . 1 yes no . . . . 1.139 . -23.583 . 36.674 . 2.304 2.846 -0.139 25 . 27284 HEM CMC CMC CMC CMC . C . . N 0 . . . 1 no no . . . . 0.550 . -24.782 . 33.175 . 5.991 2.880 -0.697 26 . 27284 HEM CAC CAC CAC CAC . C . . N 0 . . . 1 no no . . . . 0.164 . -25.943 . 36.196 . 3.649 4.981 -0.692 27 . 27284 HEM CBC CBC CBC CBC . C . . N 0 . . . 1 no no . . . . 0.498 . -27.158 . 35.750 . 4.201 5.407 -1.823 28 . 27284 HEM C1D C1D C1D C1D . C . . N 0 . . . 1 no no . . . . 1.550 . -22.718 . 38.980 . -0.102 2.753 0.298 29 . 27284 HEM C2D C2D C2D C2D . C . . N 0 . . . 1 no no . . . . 1.513 . -22.879 . 40.415 . -1.382 3.388 0.641 30 . 27284 HEM C3D C3D C3D C3D . C . . N 0 . . . 1 no no . . . . 1.951 . -21.691 . 40.929 . -2.283 2.389 0.774 31 . 27284 HEM C4D C4D C4D C4D . C . . N 0 . . . 1 no no . . . . 2.277 . -20.826 . 39.811 . -1.561 1.137 0.511 32 . 27284 HEM CMD CMD CMD CMD . C . . N 0 . . . 1 no no . . . . 1.055 . -24.094 . 41.156 . -1.639 4.863 0.811 33 . 27284 HEM CAD CAD CAD CAD . C . . N 0 . . . 1 no no . . . . 2.048 . -21.326 . 42.352 . -3.741 2.532 1.123 34 . 27284 HEM CBD CBD CBD CBD . C . . N 0 . . . 1 no no . . . . 0.741 . -20.498 . 42.530 . -4.573 2.563 -0.160 35 . 27284 HEM CGD CGD CGD CGD . C . . N 0 . . . 1 no no . . . . 0.578 . -19.987 . 43.892 . -6.032 2.706 0.189 36 . 27284 HEM O1D O1D O1D O1D . O . . N 0 . . . 1 no no . . . . 1.387 . -19.103 . 44.303 . -6.372 2.776 1.347 37 . 27284 HEM O2D O2D O2D O2D . O . . N 0 . . . 1 no no . . . . -0.401 . -20.468 . 44.537 . -6.954 2.755 -0.785 38 . 27284 HEM NA NA NA NA . N . . N 0 . . . 1 yes no . . . . 2.863 . -18.969 . 37.554 . -0.068 -1.456 0.321 39 . 27284 HEM NB NB NB NB . N . . N 0 . . . 1 no no . . . . 2.439 . -19.944 . 34.911 . 2.820 -1.386 0.207 40 . 27284 HEM NC NC NC NC . N . . N 0 . . . 1 yes no . . . . 1.537 . -22.509 . 35.976 . 2.604 1.506 -0.033 41 . 27284 HEM ND ND ND ND . N . . N 0 . . . 1 no no . . . . 2.008 . -21.465 . 38.663 . -0.276 1.431 0.298 42 . 27284 HEM FE FE FE FE . FE . . N 0 . . . 0 no no . . . . 2.196 . -20.749 . 36.814 . 1.010 0.157 -0.060 43 . 27284 HEM HHB HHB HHB HHB . H . . N 0 . . . 1 no no . . . . 3.587 . -16.798 . 35.072 . 1.498 -4.508 0.309 44 . 27284 HEM HHC HHC HHC HHC . H . . N 0 . . . 1 no no . . . . 1.553 . -22.268 . 32.633 . 5.786 0.229 -0.153 45 . 27284 HEM HHD HHD HHD HHD . H . . N 0 . . . 1 no no . . . . 0.802 . -24.613 . 38.472 . 1.018 4.543 -0.083 46 . 27284 HEM HMA HMA HMA HMA . H . . N 0 . . . 1 no no . . . . 5.316 . -15.524 . 37.249 . -1.220 -5.306 -0.847 47 . 27284 HEM HMAA HMAA HMAA HMAA . H . . N 0 . . . 0 no no . . . . 3.749 . -15.149 . 36.455 . -0.328 -5.480 0.683 48 . 27284 HEM HMAB HMAB HMAB HMAB . H . . N 0 . . . 0 no no . . . . 3.998 . -14.743 . 38.187 . -2.097 -5.285 0.702 49 . 27284 HEM HAA HAA HAA HAA . H . . N 0 . . . 1 no no . . . . 3.905 . -15.575 . 40.197 . -3.662 -3.862 0.782 50 . 27284 HEM HAAA HAAA HAAA HAAA . H . . N 0 . . . 0 no no . . . . 3.268 . -16.991 . 41.102 . -4.024 -2.121 0.869 51 . 27284 HEM HBA HBA HBA HBA . H . . N 0 . . . 1 no no . . . . 5.368 . -18.237 . 40.627 . -3.825 -1.956 -1.597 52 . 27284 HEM HBAA HBAA HBAA HBAA . H . . N 0 . . . 0 no no . . . . 6.004 . -16.819 . 39.725 . -3.464 -3.697 -1.684 53 . 27284 HEM HMB HMB HMB HMB . H . . N 0 . . . 1 no no . . . . 3.319 . -17.449 . 31.336 . 3.256 -5.336 0.660 54 . 27284 HEM HMBA HMBA HMBA HMBA . H . . N 0 . . . 0 no no . . . . 2.753 . -16.442 . 32.711 . 4.794 -5.175 -0.222 55 . 27284 HEM HMBB HMBB HMBB HMBB . H . . N 0 . . . 0 no no . . . . 4.435 . -17.072 . 32.692 . 4.752 -4.948 1.543 56 . 27284 HEM HAB HAB HAB HAB . H . . N 0 . . . 1 no no . . . . 2.770 . -21.100 . 30.963 . 6.927 -1.863 1.011 57 . 27284 HEM HBB HBB HBB HBB . H . . N 0 . . . 1 no no . . . . 1.719 . -19.927 . 29.245 . 7.994 -3.600 -0.277 58 . 27284 HEM HBBA HBBA HBBA HBBA . H . . N 0 . . . 0 no no . . . . 1.308 . -18.526 . 30.414 . 6.360 -3.987 -1.102 59 . 27284 HEM HMC HMC HMC HMC . H . . N 0 . . . 1 no no . . . . 0.153 . -25.793 . 33.346 . 6.554 1.949 -0.639 60 . 27284 HEM HMCA HMCA HMCA HMCA . H . . N 0 . . . 0 no no . . . . -0.196 . -24.182 . 32.634 . 6.110 3.316 -1.689 61 . 27284 HEM HMCB HMCB HMCB HMCB . H . . N 0 . . . 0 no no . . . . 1.472 . -24.846 . 32.578 . 6.362 3.578 0.053 62 . 27284 HEM HAC HAC HAC HAC . H . . N 0 . . . 1 no no . . . . -0.583 . -25.916 . 36.975 . 3.303 5.694 0.042 63 . 27284 HEM HBC HBC HBC HBC . H . . N 0 . . . 1 no no . . . . 0.027 . -28.035 . 36.169 . 4.614 4.696 -2.523 64 . 27284 HEM HBCA HBCA HBCA HBCA . H . . N 0 . . . 0 no no . . . . 1.239 . -27.263 . 34.971 . 4.235 6.464 -2.043 65 . 27284 HEM HMD HMD HMD HMD . H . . N 0 . . . 1 no no . . . . 1.142 . -23.919 . 42.238 . -0.715 5.415 0.639 66 . 27284 HEM HMDA HMDA HMDA HMDA . H . . N 0 . . . 0 no no . . . . 0.006 . -24.304 . 40.902 . -2.394 5.185 0.094 67 . 27284 HEM HMDB HMDB HMDB HMDB . H . . N 0 . . . 0 no no . . . . 1.680 . -24.954 . 40.872 . -1.994 5.055 1.824 68 . 27284 HEM HAD HAD HAD HAD . H . . N 0 . . . 1 no no . . . . 2.055 . -22.216 . 42.999 . -4.052 1.687 1.738 69 . 27284 HEM HADA HADA HADA HADA . H . . N 0 . . . 0 no no . . . . 2.943 . -20.719 . 42.554 . -3.893 3.459 1.677 70 . 27284 HEM HBD HBD HBD HBD . H . . N 0 . . . 1 no no . . . . 0.767 . -19.646 . 41.835 . -4.262 3.408 -0.775 71 . 27284 HEM HBDA HBDA HBDA HBDA . H . . N 0 . . . 0 no no . . . . -0.119 . -21.141 . 42.290 . -4.421 1.636 -0.714 72 . 27284 HEM H2A H2A H2A H2A . H . . N 0 . . . 1 no no . . . . 6.201 . -16.682 . 43.632 . -7.082 -3.510 -2.254 73 . 27284 HEM H2D H2D H2D H2D . H . . N 0 . . . 1 no no . . . . -0.445 . -20.063 . 45.395 . -7.877 2.847 -0.512 74 . 27284 HEM HHA HHA HHA HHA . H . . N 0 . . . 1 no no . . . . 2.913 . -19.150 . 40.893 . -3.246 -0.188 0.567 75 . 27284 HEM stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . SING CHA C1A no N 1 . 27284 HEM 2 . DOUB CHA C4D no N 2 . 27284 HEM 3 . SING CHA HHA no N 3 . 27284 HEM 4 . SING CHB C4A no N 4 . 27284 HEM 5 . DOUB CHB C1B no N 5 . 27284 HEM 6 . SING CHB HHB no N 6 . 27284 HEM 7 . SING CHC C4B no N 7 . 27284 HEM 8 . DOUB CHC C1C no N 8 . 27284 HEM 9 . SING CHC HHC no N 9 . 27284 HEM 10 . DOUB CHD C4C no N 10 . 27284 HEM 11 . SING CHD C1D no N 11 . 27284 HEM 12 . SING CHD HHD no N 12 . 27284 HEM 13 . DOUB C1A C2A yes N 13 . 27284 HEM 14 . SING C1A NA yes N 14 . 27284 HEM 15 . SING C2A C3A yes N 15 . 27284 HEM 16 . SING C2A CAA no N 16 . 27284 HEM 17 . DOUB C3A C4A yes N 17 . 27284 HEM 18 . SING C3A CMA no N 18 . 27284 HEM 19 . SING C4A NA yes N 19 . 27284 HEM 20 . SING CMA HMA no N 20 . 27284 HEM 21 . SING CMA HMAA no N 21 . 27284 HEM 22 . SING CMA HMAB no N 22 . 27284 HEM 23 . SING CAA CBA no N 23 . 27284 HEM 24 . SING CAA HAA no N 24 . 27284 HEM 25 . SING CAA HAAA no N 25 . 27284 HEM 26 . SING CBA CGA no N 26 . 27284 HEM 27 . SING CBA HBA no N 27 . 27284 HEM 28 . SING CBA HBAA no N 28 . 27284 HEM 29 . DOUB CGA O1A no N 29 . 27284 HEM 30 . SING CGA O2A no N 30 . 27284 HEM 31 . SING C1B C2B no N 31 . 27284 HEM 32 . SING C1B NB no N 32 . 27284 HEM 33 . DOUB C2B C3B no N 33 . 27284 HEM 34 . SING C2B CMB no N 34 . 27284 HEM 35 . SING C3B C4B no N 35 . 27284 HEM 36 . SING C3B CAB no N 36 . 27284 HEM 37 . DOUB C4B NB no N 37 . 27284 HEM 38 . SING CMB HMB no N 38 . 27284 HEM 39 . SING CMB HMBA no N 39 . 27284 HEM 40 . SING CMB HMBB no N 40 . 27284 HEM 41 . DOUB CAB CBB no N 41 . 27284 HEM 42 . SING CAB HAB no N 42 . 27284 HEM 43 . SING CBB HBB no N 43 . 27284 HEM 44 . SING CBB HBBA no N 44 . 27284 HEM 45 . SING C1C C2C yes N 45 . 27284 HEM 46 . SING C1C NC yes N 46 . 27284 HEM 47 . DOUB C2C C3C yes N 47 . 27284 HEM 48 . SING C2C CMC no N 48 . 27284 HEM 49 . SING C3C C4C yes N 49 . 27284 HEM 50 . SING C3C CAC no N 50 . 27284 HEM 51 . SING C4C NC yes N 51 . 27284 HEM 52 . SING CMC HMC no N 52 . 27284 HEM 53 . SING CMC HMCA no N 53 . 27284 HEM 54 . SING CMC HMCB no N 54 . 27284 HEM 55 . DOUB CAC CBC no N 55 . 27284 HEM 56 . SING CAC HAC no N 56 . 27284 HEM 57 . SING CBC HBC no N 57 . 27284 HEM 58 . SING CBC HBCA no N 58 . 27284 HEM 59 . SING C1D C2D no N 59 . 27284 HEM 60 . DOUB C1D ND no N 60 . 27284 HEM 61 . DOUB C2D C3D no N 61 . 27284 HEM 62 . SING C2D CMD no N 62 . 27284 HEM 63 . SING C3D C4D no N 63 . 27284 HEM 64 . SING C3D CAD no N 64 . 27284 HEM 65 . SING C4D ND no N 65 . 27284 HEM 66 . SING CMD HMD no N 66 . 27284 HEM 67 . SING CMD HMDA no N 67 . 27284 HEM 68 . SING CMD HMDB no N 68 . 27284 HEM 69 . SING CAD CBD no N 69 . 27284 HEM 70 . SING CAD HAD no N 70 . 27284 HEM 71 . SING CAD HADA no N 71 . 27284 HEM 72 . SING CBD CGD no N 72 . 27284 HEM 73 . SING CBD HBD no N 73 . 27284 HEM 74 . SING CBD HBDA no N 74 . 27284 HEM 75 . DOUB CGD O1D no N 75 . 27284 HEM 76 . SING CGD O2D no N 76 . 27284 HEM 77 . SING O2A H2A no N 77 . 27284 HEM 78 . SING O2D H2D no N 78 . 27284 HEM 79 . SING FE NA no N 79 . 27284 HEM 80 . SING FE NB no N 80 . 27284 HEM 81 . SING FE NC no N 81 . 27284 HEM 82 . SING FE ND no N 82 . 27284 HEM stop_ save_ save_chem_comp_CMO _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_CMO _Chem_comp.Entry_ID 27284 _Chem_comp.ID CMO _Chem_comp.Provenance PDB _Chem_comp.Name 'CARBON MONOXIDE' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code CMO _Chem_comp.PDB_code CMO _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 CMO _Chem_comp.Number_atoms_all 2 _Chem_comp.Number_atoms_nh 2 _Chem_comp.Atom_nomenclature_source . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/CO/c1-2 _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 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula 'C O' _Chem_comp.Formula_weight 28.010 _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 1BZR _Chem_comp.Processing_site EBI _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 InChI=1S/CO/c1-2 InChI InChI 1.03 27284 CMO UGFAIRIUMAVXCW-UHFFFAOYSA-N InChIKey InChI 1.03 27284 CMO [C-]#[O+] SMILES CACTVS 3.341 27284 CMO [C-]#[O+] SMILES 'OpenEye OEToolkits' 1.5.0 27284 CMO [C-]#[O+] SMILES_CANONICAL CACTVS 3.341 27284 CMO [C-]#[O+] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 27284 CMO [O+]#[C-] SMILES ACDLabs 10.04 27284 CMO 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 'carbon monooxide' 'SYSTEMATIC NAME' ACDLabs 10.04 27284 CMO 'carbon monoxide' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 27284 CMO 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 C C C C . C . . N -1 . . . 1 no no . . . . -0.296 . 8.526 . 17.112 . 0.607 0.000 0.000 1 . 27284 CMO O O O O . O . . N 1 . . . 1 no no . . . . 0.023 . 7.997 . 18.053 . -0.600 0.000 0.000 2 . 27284 CMO stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . TRIP C O no N 1 . 27284 CMO stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27284 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'Sample was reduced by dithionite and saturated with CO' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 SWHNOX '[U-13C; U-15N]' . . 1 $SWHNOX . . 0.9 0.8 1 mM 0.1 . . . 27284 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 27284 _Sample_condition_list.ID 1 _Sample_condition_list.Details 'Sample was saturated with CO and NMR tube was sealed.' 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' 100 . mM 27284 1 pH 7.5 . pH 27284 1 pressure 1 . atm 27284 1 temperature 293.15 . K 27284 1 stop_ save_ ############################ # Computer software used # ############################ save_VNMRJ _Software.Sf_category software _Software.Sf_framecode VNMRJ _Software.Entry_ID 27284 _Software.ID 1 _Software.Type . _Software.Name VNMRJ _Software.Version 4.0 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 27284 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 27284 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 27284 _Software.ID 2 _Software.Type . _Software.Name NMRPipe _Software.Version 8.9 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 27284 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 27284 2 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 27284 _Software.ID 3 _Software.Type . _Software.Name SPARKY _Software.Version 3.131 _Software.DOI . _Software.Details 'NMRFAM-SPARKY 1.41' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 27284 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 27284 3 'peak picking' 27284 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 27284 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'with triple resonance Cold probe' _NMR_spectrometer.Manufacturer Agilent _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 27284 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Agilent INOVA . 800 'with triple resonance Cold probe' . . 27284 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 27284 _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 $spectrometer_1 . . . . . . . . . . . . . . . . 27284 1 2 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27284 1 3 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27284 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27284 1 5 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27284 1 6 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27284 1 7 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27284 1 8 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27284 1 9 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27284 1 10 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27284 1 11 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27284 1 12 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27284 1 13 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27284 1 14 '3D HCCH-COSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27284 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 27284 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 water protons . . . . ppm 4.84 internal direct . . . . . . 27284 1 H 1 water protons . . . . ppm 4.84 internal direct 1 . . . . . 27284 1 N 15 water protons . . . . ppm 4.84 internal direct . . . . . . 27284 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 27284 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.01 _Assigned_chem_shift_list.Chem_shift_13C_err 0.1 _Assigned_chem_shift_list.Chem_shift_15N_err 0.2 _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' . . . 27284 1 2 '2D 1H-13C HSQC aliphatic' . . . 27284 1 3 '2D 1H-13C HSQC aromatic' . . . 27284 1 4 '3D CBCA(CO)NH' . . . 27284 1 5 '3D C(CO)NH' . . . 27284 1 6 '3D HNCO' . . . 27284 1 7 '3D HNCA' . . . 27284 1 8 '3D HNCACB' . . . 27284 1 9 '3D HBHA(CO)NH' . . . 27284 1 10 '3D HN(CO)CA' . . . 27284 1 11 '3D H(CCO)NH' . . . 27284 1 12 '3D HCCH-TOCSY' . . . 27284 1 13 '3D 1H-15N NOESY' . . . 27284 1 14 '3D HCCH-COSY' . . . 27284 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 $VNMRJ . . 27284 1 2 $NMRPipe . . 27284 1 3 $SPARKY . . 27284 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.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 2 2 MET HA H 1 5.467 0.02 . . . . . . . 2 MET HA . 27284 1 2 . 1 1 2 2 MET HB2 H 1 2.995 0.01 . . . . . . . 2 MET HB2 . 27284 1 3 . 1 1 2 2 MET HB3 H 1 2.833 0.01 . . . . . . . 2 MET HB3 . 27284 1 4 . 1 1 2 2 MET CA C 13 56.938 0.09 . . . . . . . 2 MET CA . 27284 1 5 . 1 1 2 2 MET CB C 13 35.773 0.00 . . . . . . . 2 MET CB . 27284 1 6 . 1 1 3 3 GLY H H 1 8.998 0.00 . . . . . . . 3 GLY H . 27284 1 7 . 1 1 3 3 GLY HA2 H 1 3.776 0.01 . . . . . . . 3 GLY HA2 . 27284 1 8 . 1 1 3 3 GLY HA3 H 1 4.917 0.02 . . . . . . . 3 GLY HA3 . 27284 1 9 . 1 1 3 3 GLY C C 13 175.646 0.00 . . . . . . . 3 GLY C . 27284 1 10 . 1 1 3 3 GLY CA C 13 48.549 0.05 . . . . . . . 3 GLY CA . 27284 1 11 . 1 1 3 3 GLY N N 15 109.190 0.03 . . . . . . . 3 GLY N . 27284 1 12 . 1 1 4 4 MET H H 1 9.076 0.00 . . . . . . . 4 MET H . 27284 1 13 . 1 1 4 4 MET HA H 1 4.342 0.01 . . . . . . . 4 MET HA . 27284 1 14 . 1 1 4 4 MET HB2 H 1 1.864 0.01 . . . . . . . 4 MET HB2 . 27284 1 15 . 1 1 4 4 MET HB3 H 1 2.269 0.02 . . . . . . . 4 MET HB3 . 27284 1 16 . 1 1 4 4 MET HG2 H 1 2.623 0.00 . . . . . . . 4 MET HG2 . 27284 1 17 . 1 1 4 4 MET HG3 H 1 1.928 0.00 . . . . . . . 4 MET HG3 . 27284 1 18 . 1 1 4 4 MET C C 13 177.720 0.01 . . . . . . . 4 MET C . 27284 1 19 . 1 1 4 4 MET CA C 13 58.089 0.09 . . . . . . . 4 MET CA . 27284 1 20 . 1 1 4 4 MET CB C 13 31.994 0.09 . . . . . . . 4 MET CB . 27284 1 21 . 1 1 4 4 MET N N 15 116.252 0.02 . . . . . . . 4 MET N . 27284 1 22 . 1 1 5 5 VAL H H 1 7.908 0.01 . . . . . . . 5 VAL H . 27284 1 23 . 1 1 5 5 VAL HA H 1 3.374 0.01 . . . . . . . 5 VAL HA . 27284 1 24 . 1 1 5 5 VAL HB H 1 2.066 0.02 . . . . . . . 5 VAL HB . 27284 1 25 . 1 1 5 5 VAL HG11 H 1 0.881 0.01 . . . . . . . 5 VAL HG1 . 27284 1 26 . 1 1 5 5 VAL HG12 H 1 0.881 0.01 . . . . . . . 5 VAL HG1 . 27284 1 27 . 1 1 5 5 VAL HG13 H 1 0.881 0.01 . . . . . . . 5 VAL HG1 . 27284 1 28 . 1 1 5 5 VAL HG21 H 1 0.514 0.00 . . . . . . . 5 VAL HG2 . 27284 1 29 . 1 1 5 5 VAL HG22 H 1 0.514 0.00 . . . . . . . 5 VAL HG2 . 27284 1 30 . 1 1 5 5 VAL HG23 H 1 0.514 0.00 . . . . . . . 5 VAL HG2 . 27284 1 31 . 1 1 5 5 VAL C C 13 177.032 0.01 . . . . . . . 5 VAL C . 27284 1 32 . 1 1 5 5 VAL CA C 13 66.530 0.05 . . . . . . . 5 VAL CA . 27284 1 33 . 1 1 5 5 VAL CB C 13 31.559 0.15 . . . . . . . 5 VAL CB . 27284 1 34 . 1 1 5 5 VAL N N 15 122.716 0.02 . . . . . . . 5 VAL N . 27284 1 35 . 1 1 6 6 PHE H H 1 6.792 0.02 . . . . . . . 6 PHE H . 27284 1 36 . 1 1 6 6 PHE HA H 1 3.314 0.02 . . . . . . . 6 PHE HA . 27284 1 37 . 1 1 6 6 PHE HB2 H 1 2.323 0.02 . . . . . . . 6 PHE HB2 . 27284 1 38 . 1 1 6 6 PHE HB3 H 1 1.612 0.01 . . . . . . . 6 PHE HB3 . 27284 1 39 . 1 1 6 6 PHE HD1 H 1 7.189 0.02 . . . . . . . 6 PHE HD . 27284 1 40 . 1 1 6 6 PHE HD2 H 1 7.189 0.02 . . . . . . . 6 PHE HD . 27284 1 41 . 1 1 6 6 PHE HE1 H 1 7.450 0.00 . . . . . . . 6 PHE HE . 27284 1 42 . 1 1 6 6 PHE HE2 H 1 7.450 0.00 . . . . . . . 6 PHE HE . 27284 1 43 . 1 1 6 6 PHE C C 13 178.572 0.02 . . . . . . . 6 PHE C . 27284 1 44 . 1 1 6 6 PHE CA C 13 62.161 0.09 . . . . . . . 6 PHE CA . 27284 1 45 . 1 1 6 6 PHE CB C 13 38.188 0.08 . . . . . . . 6 PHE CB . 27284 1 46 . 1 1 6 6 PHE CD1 C 13 131.533 0.19 . . . . . . . 6 PHE CD . 27284 1 47 . 1 1 6 6 PHE CD2 C 13 131.533 0.19 . . . . . . . 6 PHE CD . 27284 1 48 . 1 1 6 6 PHE CE1 C 13 131.929 0.00 . . . . . . . 6 PHE CE . 27284 1 49 . 1 1 6 6 PHE CE2 C 13 131.929 0.00 . . . . . . . 6 PHE CE . 27284 1 50 . 1 1 6 6 PHE N N 15 118.285 0.02 . . . . . . . 6 PHE N . 27284 1 51 . 1 1 7 7 THR H H 1 8.872 0.01 . . . . . . . 7 THR H . 27284 1 52 . 1 1 7 7 THR HA H 1 3.772 0.01 . . . . . . . 7 THR HA . 27284 1 53 . 1 1 7 7 THR HB H 1 4.022 0.01 . . . . . . . 7 THR HB . 27284 1 54 . 1 1 7 7 THR HG21 H 1 1.140 0.00 . . . . . . . 7 THR HG2 . 27284 1 55 . 1 1 7 7 THR HG22 H 1 1.140 0.00 . . . . . . . 7 THR HG2 . 27284 1 56 . 1 1 7 7 THR HG23 H 1 1.140 0.00 . . . . . . . 7 THR HG2 . 27284 1 57 . 1 1 7 7 THR C C 13 177.191 0.02 . . . . . . . 7 THR C . 27284 1 58 . 1 1 7 7 THR CA C 13 66.472 0.09 . . . . . . . 7 THR CA . 27284 1 59 . 1 1 7 7 THR CB C 13 67.805 0.06 . . . . . . . 7 THR CB . 27284 1 60 . 1 1 7 7 THR N N 15 113.966 0.02 . . . . . . . 7 THR N . 27284 1 61 . 1 1 8 8 GLY H H 1 7.548 0.01 . . . . . . . 8 GLY H . 27284 1 62 . 1 1 8 8 GLY HA2 H 1 3.943 0.01 . . . . . . . 8 GLY HA2 . 27284 1 63 . 1 1 8 8 GLY HA3 H 1 3.428 0.01 . . . . . . . 8 GLY HA3 . 27284 1 64 . 1 1 8 8 GLY C C 13 175.804 0.00 . . . . . . . 8 GLY C . 27284 1 65 . 1 1 8 8 GLY CA C 13 47.100 0.05 . . . . . . . 8 GLY CA . 27284 1 66 . 1 1 8 8 GLY N N 15 109.219 0.02 . . . . . . . 8 GLY N . 27284 1 67 . 1 1 9 9 LEU H H 1 7.727 0.01 . . . . . . . 9 LEU H . 27284 1 68 . 1 1 9 9 LEU HA H 1 4.384 0.02 . . . . . . . 9 LEU HA . 27284 1 69 . 1 1 9 9 LEU HB2 H 1 1.484 0.02 . . . . . . . 9 LEU HB2 . 27284 1 70 . 1 1 9 9 LEU HD11 H 1 -0.049 0.01 . . . . . . . 9 LEU HD1 . 27284 1 71 . 1 1 9 9 LEU HD12 H 1 -0.049 0.01 . . . . . . . 9 LEU HD1 . 27284 1 72 . 1 1 9 9 LEU HD13 H 1 -0.049 0.01 . . . . . . . 9 LEU HD1 . 27284 1 73 . 1 1 9 9 LEU HD21 H 1 0.305 0.02 . . . . . . . 9 LEU HD2 . 27284 1 74 . 1 1 9 9 LEU HD22 H 1 0.305 0.02 . . . . . . . 9 LEU HD2 . 27284 1 75 . 1 1 9 9 LEU HD23 H 1 0.305 0.02 . . . . . . . 9 LEU HD2 . 27284 1 76 . 1 1 9 9 LEU C C 13 177.935 0.01 . . . . . . . 9 LEU C . 27284 1 77 . 1 1 9 9 LEU CA C 13 57.494 0.03 . . . . . . . 9 LEU CA . 27284 1 78 . 1 1 9 9 LEU CB C 13 39.713 0.01 . . . . . . . 9 LEU CB . 27284 1 79 . 1 1 9 9 LEU CG C 13 27.044 0.00 . . . . . . . 9 LEU CG . 27284 1 80 . 1 1 9 9 LEU CD1 C 13 14.381 0.11 . . . . . . . 9 LEU CD1 . 27284 1 81 . 1 1 9 9 LEU N N 15 125.018 0.02 . . . . . . . 9 LEU N . 27284 1 82 . 1 1 10 10 MET H H 1 8.330 0.01 . . . . . . . 10 MET H . 27284 1 83 . 1 1 10 10 MET HA H 1 3.777 0.01 . . . . . . . 10 MET HA . 27284 1 84 . 1 1 10 10 MET HB2 H 1 2.264 0.00 . . . . . . . 10 MET HB2 . 27284 1 85 . 1 1 10 10 MET HB3 H 1 2.048 0.01 . . . . . . . 10 MET HB3 . 27284 1 86 . 1 1 10 10 MET HG2 H 1 2.854 0.00 . . . . . . . 10 MET HG2 . 27284 1 87 . 1 1 10 10 MET C C 13 178.543 0.00 . . . . . . . 10 MET C . 27284 1 88 . 1 1 10 10 MET CA C 13 59.710 0.08 . . . . . . . 10 MET CA . 27284 1 89 . 1 1 10 10 MET CB C 13 32.418 0.11 . . . . . . . 10 MET CB . 27284 1 90 . 1 1 10 10 MET N N 15 118.197 0.08 . . . . . . . 10 MET N . 27284 1 91 . 1 1 11 11 GLU H H 1 7.947 0.01 . . . . . . . 11 GLU H . 27284 1 92 . 1 1 11 11 GLU HA H 1 3.990 0.01 . . . . . . . 11 GLU HA . 27284 1 93 . 1 1 11 11 GLU HB2 H 1 2.052 0.01 . . . . . . . 11 GLU HB2 . 27284 1 94 . 1 1 11 11 GLU HB3 H 1 1.976 0.02 . . . . . . . 11 GLU HB3 . 27284 1 95 . 1 1 11 11 GLU HG2 H 1 2.423 0.01 . . . . . . . 11 GLU HG2 . 27284 1 96 . 1 1 11 11 GLU HG3 H 1 2.126 0.01 . . . . . . . 11 GLU HG3 . 27284 1 97 . 1 1 11 11 GLU C C 13 178.105 0.02 . . . . . . . 11 GLU C . 27284 1 98 . 1 1 11 11 GLU CA C 13 59.368 0.07 . . . . . . . 11 GLU CA . 27284 1 99 . 1 1 11 11 GLU CB C 13 29.486 0.08 . . . . . . . 11 GLU CB . 27284 1 100 . 1 1 11 11 GLU CG C 13 36.520 0.00 . . . . . . . 11 GLU CG . 27284 1 101 . 1 1 11 11 GLU N N 15 119.060 0.03 . . . . . . . 11 GLU N . 27284 1 102 . 1 1 12 12 LEU H H 1 7.497 0.00 . . . . . . . 12 LEU H . 27284 1 103 . 1 1 12 12 LEU HA H 1 4.214 0.01 . . . . . . . 12 LEU HA . 27284 1 104 . 1 1 12 12 LEU HB2 H 1 1.586 0.02 . . . . . . . 12 LEU HB2 . 27284 1 105 . 1 1 12 12 LEU HB3 H 1 2.077 0.01 . . . . . . . 12 LEU HB3 . 27284 1 106 . 1 1 12 12 LEU HG H 1 -0.071 0.00 . . . . . . . 12 LEU HG . 27284 1 107 . 1 1 12 12 LEU HD11 H 1 0.921 0.01 . . . . . . . 12 LEU HD1 . 27284 1 108 . 1 1 12 12 LEU HD12 H 1 0.921 0.01 . . . . . . . 12 LEU HD1 . 27284 1 109 . 1 1 12 12 LEU HD13 H 1 0.921 0.01 . . . . . . . 12 LEU HD1 . 27284 1 110 . 1 1 12 12 LEU HD21 H 1 0.777 0.01 . . . . . . . 12 LEU HD2 . 27284 1 111 . 1 1 12 12 LEU HD22 H 1 0.777 0.01 . . . . . . . 12 LEU HD2 . 27284 1 112 . 1 1 12 12 LEU HD23 H 1 0.777 0.01 . . . . . . . 12 LEU HD2 . 27284 1 113 . 1 1 12 12 LEU C C 13 178.594 0.01 . . . . . . . 12 LEU C . 27284 1 114 . 1 1 12 12 LEU CA C 13 58.239 0.05 . . . . . . . 12 LEU CA . 27284 1 115 . 1 1 12 12 LEU CB C 13 41.453 0.07 . . . . . . . 12 LEU CB . 27284 1 116 . 1 1 12 12 LEU N N 15 120.521 0.02 . . . . . . . 12 LEU N . 27284 1 117 . 1 1 13 13 ILE H H 1 8.561 0.01 . . . . . . . 13 ILE H . 27284 1 118 . 1 1 13 13 ILE HA H 1 3.589 0.01 . . . . . . . 13 ILE HA . 27284 1 119 . 1 1 13 13 ILE HB H 1 1.869 0.01 . . . . . . . 13 ILE HB . 27284 1 120 . 1 1 13 13 ILE HG12 H 1 1.949 0.00 . . . . . . . 13 ILE HG1 . 27284 1 121 . 1 1 13 13 ILE HG13 H 1 1.949 0.00 . . . . . . . 13 ILE HG1 . 27284 1 122 . 1 1 13 13 ILE HG21 H 1 0.738 0.00 . . . . . . . 13 ILE HG2 . 27284 1 123 . 1 1 13 13 ILE HG22 H 1 0.738 0.00 . . . . . . . 13 ILE HG2 . 27284 1 124 . 1 1 13 13 ILE HG23 H 1 0.738 0.00 . . . . . . . 13 ILE HG2 . 27284 1 125 . 1 1 13 13 ILE HD11 H 1 0.527 0.00 . . . . . . . 13 ILE HD1 . 27284 1 126 . 1 1 13 13 ILE HD12 H 1 0.527 0.00 . . . . . . . 13 ILE HD1 . 27284 1 127 . 1 1 13 13 ILE HD13 H 1 0.527 0.00 . . . . . . . 13 ILE HD1 . 27284 1 128 . 1 1 13 13 ILE C C 13 177.870 0.02 . . . . . . . 13 ILE C . 27284 1 129 . 1 1 13 13 ILE CA C 13 66.224 0.10 . . . . . . . 13 ILE CA . 27284 1 130 . 1 1 13 13 ILE CB C 13 37.468 0.08 . . . . . . . 13 ILE CB . 27284 1 131 . 1 1 13 13 ILE CG2 C 13 17.737 0.01 . . . . . . . 13 ILE CG2 . 27284 1 132 . 1 1 13 13 ILE CD1 C 13 13.808 0.07 . . . . . . . 13 ILE CD1 . 27284 1 133 . 1 1 13 13 ILE N N 15 118.226 0.06 . . . . . . . 13 ILE N . 27284 1 134 . 1 1 14 14 GLU H H 1 8.159 0.01 . . . . . . . 14 GLU H . 27284 1 135 . 1 1 14 14 GLU HA H 1 3.458 0.01 . . . . . . . 14 GLU HA . 27284 1 136 . 1 1 14 14 GLU HB2 H 1 1.693 0.00 . . . . . . . 14 GLU HB2 . 27284 1 137 . 1 1 14 14 GLU HB3 H 1 2.020 0.01 . . . . . . . 14 GLU HB3 . 27284 1 138 . 1 1 14 14 GLU HG2 H 1 2.216 0.00 . . . . . . . 14 GLU HG2 . 27284 1 139 . 1 1 14 14 GLU HG3 H 1 2.171 0.01 . . . . . . . 14 GLU HG3 . 27284 1 140 . 1 1 14 14 GLU C C 13 178.264 0.01 . . . . . . . 14 GLU C . 27284 1 141 . 1 1 14 14 GLU CA C 13 60.227 0.07 . . . . . . . 14 GLU CA . 27284 1 142 . 1 1 14 14 GLU CB C 13 29.448 0.05 . . . . . . . 14 GLU CB . 27284 1 143 . 1 1 14 14 GLU CG C 13 36.359 0.19 . . . . . . . 14 GLU CG . 27284 1 144 . 1 1 14 14 GLU N N 15 119.713 0.02 . . . . . . . 14 GLU N . 27284 1 145 . 1 1 15 15 ASP H H 1 8.289 0.01 . . . . . . . 15 ASP H . 27284 1 146 . 1 1 15 15 ASP HA H 1 4.271 0.01 . . . . . . . 15 ASP HA . 27284 1 147 . 1 1 15 15 ASP HB2 H 1 2.762 0.01 . . . . . . . 15 ASP HB2 . 27284 1 148 . 1 1 15 15 ASP HB3 H 1 2.586 0.01 . . . . . . . 15 ASP HB3 . 27284 1 149 . 1 1 15 15 ASP C C 13 177.979 0.02 . . . . . . . 15 ASP C . 27284 1 150 . 1 1 15 15 ASP CA C 13 57.368 0.09 . . . . . . . 15 ASP CA . 27284 1 151 . 1 1 15 15 ASP CB C 13 41.306 0.10 . . . . . . . 15 ASP CB . 27284 1 152 . 1 1 15 15 ASP N N 15 118.412 0.03 . . . . . . . 15 ASP N . 27284 1 153 . 1 1 16 16 GLU H H 1 8.611 0.00 . . . . . . . 16 GLU H . 27284 1 154 . 1 1 16 16 GLU HA H 1 3.957 0.01 . . . . . . . 16 GLU HA . 27284 1 155 . 1 1 16 16 GLU HB2 H 1 1.558 0.01 . . . . . . . 16 GLU HB2 . 27284 1 156 . 1 1 16 16 GLU HB3 H 1 1.237 0.00 . . . . . . . 16 GLU HB3 . 27284 1 157 . 1 1 16 16 GLU HG2 H 1 1.973 0.01 . . . . . . . 16 GLU HG2 . 27284 1 158 . 1 1 16 16 GLU HG3 H 1 1.625 0.00 . . . . . . . 16 GLU HG3 . 27284 1 159 . 1 1 16 16 GLU C C 13 177.602 0.02 . . . . . . . 16 GLU C . 27284 1 160 . 1 1 16 16 GLU CA C 13 57.474 0.06 . . . . . . . 16 GLU CA . 27284 1 161 . 1 1 16 16 GLU CB C 13 30.284 0.03 . . . . . . . 16 GLU CB . 27284 1 162 . 1 1 16 16 GLU CG C 13 35.624 0.05 . . . . . . . 16 GLU CG . 27284 1 163 . 1 1 16 16 GLU N N 15 115.649 0.02 . . . . . . . 16 GLU N . 27284 1 164 . 1 1 17 17 PHE H H 1 8.409 0.00 . . . . . . . 17 PHE H . 27284 1 165 . 1 1 17 17 PHE HA H 1 4.701 0.01 . . . . . . . 17 PHE HA . 27284 1 166 . 1 1 17 17 PHE HB2 H 1 3.297 0.01 . . . . . . . 17 PHE HB2 . 27284 1 167 . 1 1 17 17 PHE HB3 H 1 2.924 0.01 . . . . . . . 17 PHE HB3 . 27284 1 168 . 1 1 17 17 PHE HD1 H 1 7.317 0.00 . . . . . . . 17 PHE HD . 27284 1 169 . 1 1 17 17 PHE HD2 H 1 7.317 0.00 . . . . . . . 17 PHE HD . 27284 1 170 . 1 1 17 17 PHE C C 13 176.781 0.03 . . . . . . . 17 PHE C . 27284 1 171 . 1 1 17 17 PHE CA C 13 58.141 0.10 . . . . . . . 17 PHE CA . 27284 1 172 . 1 1 17 17 PHE CB C 13 40.125 0.06 . . . . . . . 17 PHE CB . 27284 1 173 . 1 1 17 17 PHE CD1 C 13 131.231 0.00 . . . . . . . 17 PHE CD . 27284 1 174 . 1 1 17 17 PHE CD2 C 13 131.231 0.00 . . . . . . . 17 PHE CD . 27284 1 175 . 1 1 17 17 PHE N N 15 114.340 0.02 . . . . . . . 17 PHE N . 27284 1 176 . 1 1 18 18 GLY H H 1 7.778 0.01 . . . . . . . 18 GLY H . 27284 1 177 . 1 1 18 18 GLY HA2 H 1 4.621 0.01 . . . . . . . 18 GLY HA2 . 27284 1 178 . 1 1 18 18 GLY HA3 H 1 4.064 0.01 . . . . . . . 18 GLY HA3 . 27284 1 179 . 1 1 18 18 GLY C C 13 174.504 0.00 . . . . . . . 18 GLY C . 27284 1 180 . 1 1 18 18 GLY CA C 13 44.756 0.05 . . . . . . . 18 GLY CA . 27284 1 181 . 1 1 18 18 GLY N N 15 111.584 0.02 . . . . . . . 18 GLY N . 27284 1 182 . 1 1 19 19 TYR H H 1 8.748 0.00 . . . . . . . 19 TYR H . 27284 1 183 . 1 1 19 19 TYR HA H 1 3.937 0.01 . . . . . . . 19 TYR HA . 27284 1 184 . 1 1 19 19 TYR HB2 H 1 3.159 0.01 . . . . . . . 19 TYR HB2 . 27284 1 185 . 1 1 19 19 TYR HB3 H 1 2.966 0.01 . . . . . . . 19 TYR HB3 . 27284 1 186 . 1 1 19 19 TYR HD1 H 1 7.077 0.01 . . . . . . . 19 TYR HD . 27284 1 187 . 1 1 19 19 TYR HD2 H 1 7.077 0.01 . . . . . . . 19 TYR HD . 27284 1 188 . 1 1 19 19 TYR HE1 H 1 6.769 0.00 . . . . . . . 19 TYR HE . 27284 1 189 . 1 1 19 19 TYR HE2 H 1 6.769 0.00 . . . . . . . 19 TYR HE . 27284 1 190 . 1 1 19 19 TYR C C 13 176.815 0.05 . . . . . . . 19 TYR C . 27284 1 191 . 1 1 19 19 TYR CA C 13 61.695 0.06 . . . . . . . 19 TYR CA . 27284 1 192 . 1 1 19 19 TYR CB C 13 37.776 0.07 . . . . . . . 19 TYR CB . 27284 1 193 . 1 1 19 19 TYR N N 15 121.486 0.02 . . . . . . . 19 TYR N . 27284 1 194 . 1 1 20 20 GLU H H 1 8.868 0.01 . . . . . . . 20 GLU H . 27284 1 195 . 1 1 20 20 GLU HA H 1 3.913 0.01 . . . . . . . 20 GLU HA . 27284 1 196 . 1 1 20 20 GLU HB2 H 1 1.926 0.01 . . . . . . . 20 GLU HB2 . 27284 1 197 . 1 1 20 20 GLU HB3 H 1 1.922 0.02 . . . . . . . 20 GLU HB3 . 27284 1 198 . 1 1 20 20 GLU HG2 H 1 2.109 0.01 . . . . . . . 20 GLU HG2 . 27284 1 199 . 1 1 20 20 GLU HG3 H 1 2.215 0.01 . . . . . . . 20 GLU HG3 . 27284 1 200 . 1 1 20 20 GLU C C 13 179.388 0.02 . . . . . . . 20 GLU C . 27284 1 201 . 1 1 20 20 GLU CA C 13 59.669 0.15 . . . . . . . 20 GLU CA . 27284 1 202 . 1 1 20 20 GLU CB C 13 28.691 0.10 . . . . . . . 20 GLU CB . 27284 1 203 . 1 1 20 20 GLU CG C 13 36.668 0.08 . . . . . . . 20 GLU CG . 27284 1 204 . 1 1 20 20 GLU N N 15 119.668 0.02 . . . . . . . 20 GLU N . 27284 1 205 . 1 1 21 21 THR H H 1 7.537 0.00 . . . . . . . 21 THR H . 27284 1 206 . 1 1 21 21 THR HA H 1 3.728 0.01 . . . . . . . 21 THR HA . 27284 1 207 . 1 1 21 21 THR HB H 1 3.925 0.01 . . . . . . . 21 THR HB . 27284 1 208 . 1 1 21 21 THR HG21 H 1 0.805 0.00 . . . . . . . 21 THR HG2 . 27284 1 209 . 1 1 21 21 THR HG22 H 1 0.805 0.00 . . . . . . . 21 THR HG2 . 27284 1 210 . 1 1 21 21 THR HG23 H 1 0.805 0.00 . . . . . . . 21 THR HG2 . 27284 1 211 . 1 1 21 21 THR C C 13 175.322 0.00 . . . . . . . 21 THR C . 27284 1 212 . 1 1 21 21 THR CA C 13 66.550 0.08 . . . . . . . 21 THR CA . 27284 1 213 . 1 1 21 21 THR CB C 13 67.596 0.08 . . . . . . . 21 THR CB . 27284 1 214 . 1 1 21 21 THR N N 15 117.066 0.03 . . . . . . . 21 THR N . 27284 1 215 . 1 1 22 22 LEU H H 1 7.159 0.01 . . . . . . . 22 LEU H . 27284 1 216 . 1 1 22 22 LEU HA H 1 3.812 0.02 . . . . . . . 22 LEU HA . 27284 1 217 . 1 1 22 22 LEU HB2 H 1 1.964 0.01 . . . . . . . 22 LEU HB2 . 27284 1 218 . 1 1 22 22 LEU HB3 H 1 1.080 0.01 . . . . . . . 22 LEU HB3 . 27284 1 219 . 1 1 22 22 LEU HD11 H 1 0.942 0.01 . . . . . . . 22 LEU HD1 . 27284 1 220 . 1 1 22 22 LEU HD12 H 1 0.942 0.01 . . . . . . . 22 LEU HD1 . 27284 1 221 . 1 1 22 22 LEU HD13 H 1 0.942 0.01 . . . . . . . 22 LEU HD1 . 27284 1 222 . 1 1 22 22 LEU HD21 H 1 0.736 0.01 . . . . . . . 22 LEU HD2 . 27284 1 223 . 1 1 22 22 LEU HD22 H 1 0.736 0.01 . . . . . . . 22 LEU HD2 . 27284 1 224 . 1 1 22 22 LEU HD23 H 1 0.736 0.01 . . . . . . . 22 LEU HD2 . 27284 1 225 . 1 1 22 22 LEU C C 13 176.994 0.00 . . . . . . . 22 LEU C . 27284 1 226 . 1 1 22 22 LEU CA C 13 58.651 0.04 . . . . . . . 22 LEU CA . 27284 1 227 . 1 1 22 22 LEU CB C 13 41.167 0.09 . . . . . . . 22 LEU CB . 27284 1 228 . 1 1 22 22 LEU N N 15 122.002 0.03 . . . . . . . 22 LEU N . 27284 1 229 . 1 1 23 23 ASP H H 1 8.352 0.01 . . . . . . . 23 ASP H . 27284 1 230 . 1 1 23 23 ASP HA H 1 4.197 0.01 . . . . . . . 23 ASP HA . 27284 1 231 . 1 1 23 23 ASP HB2 H 1 2.463 0.01 . . . . . . . 23 ASP HB2 . 27284 1 232 . 1 1 23 23 ASP HB3 H 1 2.526 0.01 . . . . . . . 23 ASP HB3 . 27284 1 233 . 1 1 23 23 ASP C C 13 178.838 0.02 . . . . . . . 23 ASP C . 27284 1 234 . 1 1 23 23 ASP CA C 13 57.701 0.06 . . . . . . . 23 ASP CA . 27284 1 235 . 1 1 23 23 ASP CB C 13 40.842 0.07 . . . . . . . 23 ASP CB . 27284 1 236 . 1 1 23 23 ASP N N 15 118.287 0.01 . . . . . . . 23 ASP N . 27284 1 237 . 1 1 24 24 THR H H 1 7.856 0.00 . . . . . . . 24 THR H . 27284 1 238 . 1 1 24 24 THR HA H 1 3.891 0.03 . . . . . . . 24 THR HA . 27284 1 239 . 1 1 24 24 THR HB H 1 4.213 0.01 . . . . . . . 24 THR HB . 27284 1 240 . 1 1 24 24 THR HG21 H 1 1.157 0.00 . . . . . . . 24 THR HG2 . 27284 1 241 . 1 1 24 24 THR HG22 H 1 1.157 0.00 . . . . . . . 24 THR HG2 . 27284 1 242 . 1 1 24 24 THR HG23 H 1 1.157 0.00 . . . . . . . 24 THR HG2 . 27284 1 243 . 1 1 24 24 THR C C 13 176.992 0.02 . . . . . . . 24 THR C . 27284 1 244 . 1 1 24 24 THR CA C 13 66.207 0.12 . . . . . . . 24 THR CA . 27284 1 245 . 1 1 24 24 THR CB C 13 68.373 0.36 . . . . . . . 24 THR CB . 27284 1 246 . 1 1 24 24 THR N N 15 115.039 0.01 . . . . . . . 24 THR N . 27284 1 247 . 1 1 25 25 LEU H H 1 8.157 0.01 . . . . . . . 25 LEU H . 27284 1 248 . 1 1 25 25 LEU HA H 1 3.327 0.01 . . . . . . . 25 LEU HA . 27284 1 249 . 1 1 25 25 LEU HB2 H 1 1.498 0.01 . . . . . . . 25 LEU HB2 . 27284 1 250 . 1 1 25 25 LEU HB3 H 1 1.740 0.00 . . . . . . . 25 LEU HB3 . 27284 1 251 . 1 1 25 25 LEU HG H 1 1.045 0.01 . . . . . . . 25 LEU HG . 27284 1 252 . 1 1 25 25 LEU HD11 H 1 -0.066 0.00 . . . . . . . 25 LEU HD1 . 27284 1 253 . 1 1 25 25 LEU HD12 H 1 -0.066 0.00 . . . . . . . 25 LEU HD1 . 27284 1 254 . 1 1 25 25 LEU HD13 H 1 -0.066 0.00 . . . . . . . 25 LEU HD1 . 27284 1 255 . 1 1 25 25 LEU HD21 H 1 0.326 0.00 . . . . . . . 25 LEU HD2 . 27284 1 256 . 1 1 25 25 LEU HD22 H 1 0.326 0.00 . . . . . . . 25 LEU HD2 . 27284 1 257 . 1 1 25 25 LEU HD23 H 1 0.326 0.00 . . . . . . . 25 LEU HD2 . 27284 1 258 . 1 1 25 25 LEU C C 13 178.922 0.01 . . . . . . . 25 LEU C . 27284 1 259 . 1 1 25 25 LEU CA C 13 58.568 0.01 . . . . . . . 25 LEU CA . 27284 1 260 . 1 1 25 25 LEU CB C 13 41.822 0.03 . . . . . . . 25 LEU CB . 27284 1 261 . 1 1 25 25 LEU CG C 13 25.324 0.07 . . . . . . . 25 LEU CG . 27284 1 262 . 1 1 25 25 LEU CD1 C 13 20.935 0.07 . . . . . . . 25 LEU CD1 . 27284 1 263 . 1 1 25 25 LEU CD2 C 13 26.722 0.07 . . . . . . . 25 LEU CD2 . 27284 1 264 . 1 1 25 25 LEU N N 15 124.049 0.02 . . . . . . . 25 LEU N . 27284 1 265 . 1 1 26 26 LEU H H 1 8.326 0.01 . . . . . . . 26 LEU H . 27284 1 266 . 1 1 26 26 LEU HA H 1 3.843 0.01 . . . . . . . 26 LEU HA . 27284 1 267 . 1 1 26 26 LEU HB2 H 1 1.868 0.01 . . . . . . . 26 LEU HB2 . 27284 1 268 . 1 1 26 26 LEU HB3 H 1 1.389 0.01 . . . . . . . 26 LEU HB3 . 27284 1 269 . 1 1 26 26 LEU HG H 1 1.779 0.00 . . . . . . . 26 LEU HG . 27284 1 270 . 1 1 26 26 LEU HD11 H 1 0.868 0.01 . . . . . . . 26 LEU HD1 . 27284 1 271 . 1 1 26 26 LEU HD12 H 1 0.868 0.01 . . . . . . . 26 LEU HD1 . 27284 1 272 . 1 1 26 26 LEU HD13 H 1 0.868 0.01 . . . . . . . 26 LEU HD1 . 27284 1 273 . 1 1 26 26 LEU HD21 H 1 0.754 0.01 . . . . . . . 26 LEU HD2 . 27284 1 274 . 1 1 26 26 LEU HD22 H 1 0.754 0.01 . . . . . . . 26 LEU HD2 . 27284 1 275 . 1 1 26 26 LEU HD23 H 1 0.754 0.01 . . . . . . . 26 LEU HD2 . 27284 1 276 . 1 1 26 26 LEU C C 13 179.438 0.02 . . . . . . . 26 LEU C . 27284 1 277 . 1 1 26 26 LEU CA C 13 57.933 0.08 . . . . . . . 26 LEU CA . 27284 1 278 . 1 1 26 26 LEU CB C 13 40.835 0.11 . . . . . . . 26 LEU CB . 27284 1 279 . 1 1 26 26 LEU N N 15 118.267 0.03 . . . . . . . 26 LEU N . 27284 1 280 . 1 1 27 27 GLU H H 1 7.737 0.00 . . . . . . . 27 GLU H . 27284 1 281 . 1 1 27 27 GLU HA H 1 4.095 0.01 . . . . . . . 27 GLU HA . 27284 1 282 . 1 1 27 27 GLU HB2 H 1 2.053 0.01 . . . . . . . 27 GLU HB . 27284 1 283 . 1 1 27 27 GLU HB3 H 1 2.053 0.01 . . . . . . . 27 GLU HB . 27284 1 284 . 1 1 27 27 GLU HG2 H 1 2.295 0.01 . . . . . . . 27 GLU HG2 . 27284 1 285 . 1 1 27 27 GLU HG3 H 1 2.244 0.00 . . . . . . . 27 GLU HG3 . 27284 1 286 . 1 1 27 27 GLU C C 13 178.098 0.02 . . . . . . . 27 GLU C . 27284 1 287 . 1 1 27 27 GLU CA C 13 58.084 0.09 . . . . . . . 27 GLU CA . 27284 1 288 . 1 1 27 27 GLU CB C 13 29.827 0.14 . . . . . . . 27 GLU CB . 27284 1 289 . 1 1 27 27 GLU CG C 13 36.061 0.02 . . . . . . . 27 GLU CG . 27284 1 290 . 1 1 27 27 GLU N N 15 116.795 0.02 . . . . . . . 27 GLU N . 27284 1 291 . 1 1 28 28 SER H H 1 7.740 0.01 . . . . . . . 28 SER H . 27284 1 292 . 1 1 28 28 SER HA H 1 4.434 0.01 . . . . . . . 28 SER HA . 27284 1 293 . 1 1 28 28 SER HB2 H 1 3.933 0.01 . . . . . . . 28 SER HB2 . 27284 1 294 . 1 1 28 28 SER HB3 H 1 3.917 0.00 . . . . . . . 28 SER HB3 . 27284 1 295 . 1 1 28 28 SER C C 13 174.793 0.02 . . . . . . . 28 SER C . 27284 1 296 . 1 1 28 28 SER CA C 13 59.710 0.10 . . . . . . . 28 SER CA . 27284 1 297 . 1 1 28 28 SER CB C 13 64.300 0.05 . . . . . . . 28 SER CB . 27284 1 298 . 1 1 28 28 SER N N 15 112.315 0.02 . . . . . . . 28 SER N . 27284 1 299 . 1 1 29 29 CYS H H 1 7.537 0.01 . . . . . . . 29 CYS H . 27284 1 300 . 1 1 29 29 CYS HA H 1 4.421 0.02 . . . . . . . 29 CYS HA . 27284 1 301 . 1 1 29 29 CYS HB3 H 1 2.627 0.01 . . . . . . . 29 CYS HB3 . 27284 1 302 . 1 1 29 29 CYS C C 13 173.007 0.01 . . . . . . . 29 CYS C . 27284 1 303 . 1 1 29 29 CYS CA C 13 58.275 0.17 . . . . . . . 29 CYS CA . 27284 1 304 . 1 1 29 29 CYS CB C 13 29.159 0.16 . . . . . . . 29 CYS CB . 27284 1 305 . 1 1 29 29 CYS N N 15 119.003 0.02 . . . . . . . 29 CYS N . 27284 1 306 . 1 1 30 30 GLU H H 1 8.488 0.01 . . . . . . . 30 GLU H . 27284 1 307 . 1 1 30 30 GLU HA H 1 4.259 0.02 . . . . . . . 30 GLU HA . 27284 1 308 . 1 1 30 30 GLU HB2 H 1 1.944 0.01 . . . . . . . 30 GLU HB2 . 27284 1 309 . 1 1 30 30 GLU HB3 H 1 1.892 0.02 . . . . . . . 30 GLU HB3 . 27284 1 310 . 1 1 30 30 GLU HG2 H 1 2.091 0.01 . . . . . . . 30 GLU HG2 . 27284 1 311 . 1 1 30 30 GLU HG3 H 1 2.195 0.00 . . . . . . . 30 GLU HG3 . 27284 1 312 . 1 1 30 30 GLU C C 13 175.158 0.00 . . . . . . . 30 GLU C . 27284 1 313 . 1 1 30 30 GLU CA C 13 56.022 0.28 . . . . . . . 30 GLU CA . 27284 1 314 . 1 1 30 30 GLU CB C 13 28.934 0.09 . . . . . . . 30 GLU CB . 27284 1 315 . 1 1 30 30 GLU N N 15 122.621 0.02 . . . . . . . 30 GLU N . 27284 1 316 . 1 1 31 31 LEU H H 1 8.412 0.01 . . . . . . . 31 LEU H . 27284 1 317 . 1 1 31 31 LEU HA H 1 4.496 0.01 . . . . . . . 31 LEU HA . 27284 1 318 . 1 1 31 31 LEU HB2 H 1 1.446 0.00 . . . . . . . 31 LEU HB2 . 27284 1 319 . 1 1 31 31 LEU HB3 H 1 1.401 0.01 . . . . . . . 31 LEU HB3 . 27284 1 320 . 1 1 31 31 LEU HD11 H 1 0.758 0.01 . . . . . . . 31 LEU HD1 . 27284 1 321 . 1 1 31 31 LEU HD12 H 1 0.758 0.01 . . . . . . . 31 LEU HD1 . 27284 1 322 . 1 1 31 31 LEU HD13 H 1 0.758 0.01 . . . . . . . 31 LEU HD1 . 27284 1 323 . 1 1 31 31 LEU HD21 H 1 -3.242 0.00 . . . . . . . 31 LEU HD2 . 27284 1 324 . 1 1 31 31 LEU HD22 H 1 -3.242 0.00 . . . . . . . 31 LEU HD2 . 27284 1 325 . 1 1 31 31 LEU HD23 H 1 -3.242 0.00 . . . . . . . 31 LEU HD2 . 27284 1 326 . 1 1 31 31 LEU C C 13 178.572 0.06 . . . . . . . 31 LEU C . 27284 1 327 . 1 1 31 31 LEU CA C 13 53.298 0.06 . . . . . . . 31 LEU CA . 27284 1 328 . 1 1 31 31 LEU CB C 13 42.516 0.03 . . . . . . . 31 LEU CB . 27284 1 329 . 1 1 31 31 LEU N N 15 124.463 0.04 . . . . . . . 31 LEU N . 27284 1 330 . 1 1 32 32 GLN H H 1 9.307 0.00 . . . . . . . 32 GLN H . 27284 1 331 . 1 1 32 32 GLN HA H 1 4.063 0.01 . . . . . . . 32 GLN HA . 27284 1 332 . 1 1 32 32 GLN HB2 H 1 2.192 0.01 . . . . . . . 32 GLN HB2 . 27284 1 333 . 1 1 32 32 GLN HB3 H 1 2.464 0.01 . . . . . . . 32 GLN HB3 . 27284 1 334 . 1 1 32 32 GLN HG2 H 1 2.459 0.00 . . . . . . . 32 GLN HG2 . 27284 1 335 . 1 1 32 32 GLN HG3 H 1 2.181 0.01 . . . . . . . 32 GLN HG3 . 27284 1 336 . 1 1 32 32 GLN C C 13 177.618 0.00 . . . . . . . 32 GLN C . 27284 1 337 . 1 1 32 32 GLN CA C 13 58.665 0.07 . . . . . . . 32 GLN CA . 27284 1 338 . 1 1 32 32 GLN CB C 13 28.436 0.06 . . . . . . . 32 GLN CB . 27284 1 339 . 1 1 32 32 GLN CG C 13 34.043 0.09 . . . . . . . 32 GLN CG . 27284 1 340 . 1 1 32 32 GLN N N 15 127.404 0.02 . . . . . . . 32 GLN N . 27284 1 341 . 1 1 33 33 SER H H 1 8.798 0.01 . . . . . . . 33 SER H . 27284 1 342 . 1 1 33 33 SER HA H 1 4.227 0.02 . . . . . . . 33 SER HA . 27284 1 343 . 1 1 33 33 SER HB2 H 1 3.721 0.03 . . . . . . . 33 SER HB2 . 27284 1 344 . 1 1 33 33 SER HB3 H 1 3.782 0.00 . . . . . . . 33 SER HB3 . 27284 1 345 . 1 1 33 33 SER C C 13 175.969 0.02 . . . . . . . 33 SER C . 27284 1 346 . 1 1 33 33 SER CA C 13 58.918 0.12 . . . . . . . 33 SER CA . 27284 1 347 . 1 1 33 33 SER CB C 13 63.326 0.02 . . . . . . . 33 SER CB . 27284 1 348 . 1 1 33 33 SER N N 15 114.132 0.02 . . . . . . . 33 SER N . 27284 1 349 . 1 1 34 34 GLU H H 1 7.871 0.00 . . . . . . . 34 GLU H . 27284 1 350 . 1 1 34 34 GLU HA H 1 3.819 0.01 . . . . . . . 34 GLU HA . 27284 1 351 . 1 1 34 34 GLU HB2 H 1 2.135 0.01 . . . . . . . 34 GLU HB2 . 27284 1 352 . 1 1 34 34 GLU HB3 H 1 2.105 0.01 . . . . . . . 34 GLU HB3 . 27284 1 353 . 1 1 34 34 GLU HG2 H 1 2.858 0.01 . . . . . . . 34 GLU HG . 27284 1 354 . 1 1 34 34 GLU HG3 H 1 2.858 0.01 . . . . . . . 34 GLU HG . 27284 1 355 . 1 1 34 34 GLU C C 13 175.500 0.07 . . . . . . . 34 GLU C . 27284 1 356 . 1 1 34 34 GLU CA C 13 57.492 0.11 . . . . . . . 34 GLU CA . 27284 1 357 . 1 1 34 34 GLU CB C 13 27.986 0.04 . . . . . . . 34 GLU CB . 27284 1 358 . 1 1 34 34 GLU CG C 13 36.645 0.05 . . . . . . . 34 GLU CG . 27284 1 359 . 1 1 34 34 GLU N N 15 116.357 0.02 . . . . . . . 34 GLU N . 27284 1 360 . 1 1 35 35 GLY H H 1 8.181 0.01 . . . . . . . 35 GLY H . 27284 1 361 . 1 1 35 35 GLY HA2 H 1 3.662 0.02 . . . . . . . 35 GLY HA2 . 27284 1 362 . 1 1 35 35 GLY HA3 H 1 3.128 0.01 . . . . . . . 35 GLY HA3 . 27284 1 363 . 1 1 35 35 GLY C C 13 172.617 0.00 . . . . . . . 35 GLY C . 27284 1 364 . 1 1 35 35 GLY CA C 13 45.496 0.11 . . . . . . . 35 GLY CA . 27284 1 365 . 1 1 35 35 GLY N N 15 106.278 0.02 . . . . . . . 35 GLY N . 27284 1 366 . 1 1 36 36 ILE H H 1 6.635 0.01 . . . . . . . 36 ILE H . 27284 1 367 . 1 1 36 36 ILE HA H 1 3.783 0.01 . . . . . . . 36 ILE HA . 27284 1 368 . 1 1 36 36 ILE HB H 1 1.651 0.01 . . . . . . . 36 ILE HB . 27284 1 369 . 1 1 36 36 ILE HG12 H 1 1.231 0.01 . . . . . . . 36 ILE HG12 . 27284 1 370 . 1 1 36 36 ILE HG13 H 1 0.861 0.01 . . . . . . . 36 ILE HG13 . 27284 1 371 . 1 1 36 36 ILE HG21 H 1 0.676 0.00 . . . . . . . 36 ILE HG2 . 27284 1 372 . 1 1 36 36 ILE HG22 H 1 0.676 0.00 . . . . . . . 36 ILE HG2 . 27284 1 373 . 1 1 36 36 ILE HG23 H 1 0.676 0.00 . . . . . . . 36 ILE HG2 . 27284 1 374 . 1 1 36 36 ILE HD11 H 1 0.650 0.01 . . . . . . . 36 ILE HD1 . 27284 1 375 . 1 1 36 36 ILE HD12 H 1 0.650 0.01 . . . . . . . 36 ILE HD1 . 27284 1 376 . 1 1 36 36 ILE HD13 H 1 0.650 0.01 . . . . . . . 36 ILE HD1 . 27284 1 377 . 1 1 36 36 ILE C C 13 174.322 0.03 . . . . . . . 36 ILE C . 27284 1 378 . 1 1 36 36 ILE CA C 13 59.737 0.08 . . . . . . . 36 ILE CA . 27284 1 379 . 1 1 36 36 ILE CB C 13 37.346 0.06 . . . . . . . 36 ILE CB . 27284 1 380 . 1 1 36 36 ILE CG2 C 13 12.164 0.07 . . . . . . . 36 ILE CG2 . 27284 1 381 . 1 1 36 36 ILE CD1 C 13 17.056 0.00 . . . . . . . 36 ILE CD1 . 27284 1 382 . 1 1 36 36 ILE N N 15 120.302 0.02 . . . . . . . 36 ILE N . 27284 1 383 . 1 1 37 37 TYR H H 1 8.097 0.01 . . . . . . . 37 TYR H . 27284 1 384 . 1 1 37 37 TYR HA H 1 4.391 0.02 . . . . . . . 37 TYR HA . 27284 1 385 . 1 1 37 37 TYR HB2 H 1 2.237 0.00 . . . . . . . 37 TYR HB2 . 27284 1 386 . 1 1 37 37 TYR HB3 H 1 2.359 0.01 . . . . . . . 37 TYR HB3 . 27284 1 387 . 1 1 37 37 TYR HD1 H 1 6.850 0.01 . . . . . . . 37 TYR HD . 27284 1 388 . 1 1 37 37 TYR HD2 H 1 6.850 0.01 . . . . . . . 37 TYR HD . 27284 1 389 . 1 1 37 37 TYR C C 13 176.136 0.01 . . . . . . . 37 TYR C . 27284 1 390 . 1 1 37 37 TYR CA C 13 56.382 0.06 . . . . . . . 37 TYR CA . 27284 1 391 . 1 1 37 37 TYR CB C 13 40.519 0.08 . . . . . . . 37 TYR CB . 27284 1 392 . 1 1 37 37 TYR N N 15 125.098 0.03 . . . . . . . 37 TYR N . 27284 1 393 . 1 1 38 38 THR H H 1 8.739 0.00 . . . . . . . 38 THR H . 27284 1 394 . 1 1 38 38 THR HA H 1 4.860 0.02 . . . . . . . 38 THR HA . 27284 1 395 . 1 1 38 38 THR HB H 1 4.347 0.00 . . . . . . . 38 THR HB . 27284 1 396 . 1 1 38 38 THR HG21 H 1 1.244 0.00 . . . . . . . 38 THR HG2 . 27284 1 397 . 1 1 38 38 THR HG22 H 1 1.244 0.00 . . . . . . . 38 THR HG2 . 27284 1 398 . 1 1 38 38 THR HG23 H 1 1.244 0.00 . . . . . . . 38 THR HG2 . 27284 1 399 . 1 1 38 38 THR C C 13 176.469 0.00 . . . . . . . 38 THR C . 27284 1 400 . 1 1 38 38 THR CA C 13 60.649 0.02 . . . . . . . 38 THR CA . 27284 1 401 . 1 1 38 38 THR CB C 13 69.929 0.05 . . . . . . . 38 THR CB . 27284 1 402 . 1 1 38 38 THR N N 15 116.747 0.03 . . . . . . . 38 THR N . 27284 1 403 . 1 1 39 39 SER H H 1 9.036 0.02 . . . . . . . 39 SER H . 27284 1 404 . 1 1 39 39 SER HA H 1 4.136 0.02 . . . . . . . 39 SER HA . 27284 1 405 . 1 1 39 39 SER HB2 H 1 4.024 0.00 . . . . . . . 39 SER HB2 . 27284 1 406 . 1 1 39 39 SER HB3 H 1 3.986 0.01 . . . . . . . 39 SER HB3 . 27284 1 407 . 1 1 39 39 SER C C 13 175.904 0.00 . . . . . . . 39 SER C . 27284 1 408 . 1 1 39 39 SER CA C 13 61.714 0.09 . . . . . . . 39 SER CA . 27284 1 409 . 1 1 39 39 SER CB C 13 63.153 0.06 . . . . . . . 39 SER CB . 27284 1 410 . 1 1 39 39 SER N N 15 121.568 0.02 . . . . . . . 39 SER N . 27284 1 411 . 1 1 40 40 VAL H H 1 7.479 0.01 . . . . . . . 40 VAL H . 27284 1 412 . 1 1 40 40 VAL HA H 1 4.790 0.02 . . . . . . . 40 VAL HA . 27284 1 413 . 1 1 40 40 VAL HB H 1 2.464 0.02 . . . . . . . 40 VAL HB . 27284 1 414 . 1 1 40 40 VAL HG11 H 1 1.040 0.01 . . . . . . . 40 VAL HG1 . 27284 1 415 . 1 1 40 40 VAL HG12 H 1 1.040 0.01 . . . . . . . 40 VAL HG1 . 27284 1 416 . 1 1 40 40 VAL HG13 H 1 1.040 0.01 . . . . . . . 40 VAL HG1 . 27284 1 417 . 1 1 40 40 VAL HG21 H 1 0.915 0.01 . . . . . . . 40 VAL HG2 . 27284 1 418 . 1 1 40 40 VAL HG22 H 1 0.915 0.01 . . . . . . . 40 VAL HG2 . 27284 1 419 . 1 1 40 40 VAL HG23 H 1 0.915 0.01 . . . . . . . 40 VAL HG2 . 27284 1 420 . 1 1 40 40 VAL C C 13 177.555 0.02 . . . . . . . 40 VAL C . 27284 1 421 . 1 1 40 40 VAL CA C 13 60.361 0.07 . . . . . . . 40 VAL CA . 27284 1 422 . 1 1 40 40 VAL CB C 13 31.282 0.06 . . . . . . . 40 VAL CB . 27284 1 423 . 1 1 40 40 VAL CG1 C 13 21.500 0.03 . . . . . . . 40 VAL CG1 . 27284 1 424 . 1 1 40 40 VAL CG2 C 13 18.089 0.06 . . . . . . . 40 VAL CG2 . 27284 1 425 . 1 1 40 40 VAL N N 15 107.864 0.02 . . . . . . . 40 VAL N . 27284 1 426 . 1 1 41 41 GLY H H 1 7.871 0.00 . . . . . . . 41 GLY H . 27284 1 427 . 1 1 41 41 GLY HA2 H 1 4.006 0.01 . . . . . . . 41 GLY HA2 . 27284 1 428 . 1 1 41 41 GLY HA3 H 1 3.648 0.01 . . . . . . . 41 GLY HA3 . 27284 1 429 . 1 1 41 41 GLY C C 13 171.981 0.00 . . . . . . . 41 GLY C . 27284 1 430 . 1 1 41 41 GLY CA C 13 44.969 0.05 . . . . . . . 41 GLY CA . 27284 1 431 . 1 1 41 41 GLY N N 15 111.025 0.02 . . . . . . . 41 GLY N . 27284 1 432 . 1 1 42 42 SER H H 1 7.828 0.00 . . . . . . . 42 SER H . 27284 1 433 . 1 1 42 42 SER HA H 1 4.841 0.01 . . . . . . . 42 SER HA . 27284 1 434 . 1 1 42 42 SER HB2 H 1 3.619 0.01 . . . . . . . 42 SER HB2 . 27284 1 435 . 1 1 42 42 SER HB3 H 1 3.582 0.01 . . . . . . . 42 SER HB3 . 27284 1 436 . 1 1 42 42 SER C C 13 173.245 0.02 . . . . . . . 42 SER C . 27284 1 437 . 1 1 42 42 SER CA C 13 57.061 0.07 . . . . . . . 42 SER CA . 27284 1 438 . 1 1 42 42 SER CB C 13 64.732 0.11 . . . . . . . 42 SER CB . 27284 1 439 . 1 1 42 42 SER N N 15 113.625 0.02 . . . . . . . 42 SER N . 27284 1 440 . 1 1 43 43 TYR H H 1 9.340 0.01 . . . . . . . 43 TYR H . 27284 1 441 . 1 1 43 43 TYR HA H 1 4.618 0.01 . . . . . . . 43 TYR HA . 27284 1 442 . 1 1 43 43 TYR HB2 H 1 2.906 0.01 . . . . . . . 43 TYR HB2 . 27284 1 443 . 1 1 43 43 TYR HB3 H 1 2.637 0.01 . . . . . . . 43 TYR HB3 . 27284 1 444 . 1 1 43 43 TYR HD1 H 1 7.096 0.00 . . . . . . . 43 TYR HD . 27284 1 445 . 1 1 43 43 TYR HD2 H 1 7.096 0.00 . . . . . . . 43 TYR HD . 27284 1 446 . 1 1 43 43 TYR C C 13 174.924 0.02 . . . . . . . 43 TYR C . 27284 1 447 . 1 1 43 43 TYR CA C 13 56.582 0.08 . . . . . . . 43 TYR CA . 27284 1 448 . 1 1 43 43 TYR CB C 13 41.864 0.09 . . . . . . . 43 TYR CB . 27284 1 449 . 1 1 43 43 TYR N N 15 124.763 0.03 . . . . . . . 43 TYR N . 27284 1 450 . 1 1 44 44 ASP H H 1 9.069 0.00 . . . . . . . 44 ASP H . 27284 1 451 . 1 1 44 44 ASP HA H 1 4.716 0.01 . . . . . . . 44 ASP HA . 27284 1 452 . 1 1 44 44 ASP HB2 H 1 2.656 0.01 . . . . . . . 44 ASP HB2 . 27284 1 453 . 1 1 44 44 ASP HB3 H 1 2.596 0.00 . . . . . . . 44 ASP HB3 . 27284 1 454 . 1 1 44 44 ASP C C 13 179.302 0.00 . . . . . . . 44 ASP C . 27284 1 455 . 1 1 44 44 ASP CA C 13 54.795 0.12 . . . . . . . 44 ASP CA . 27284 1 456 . 1 1 44 44 ASP CB C 13 41.654 0.11 . . . . . . . 44 ASP CB . 27284 1 457 . 1 1 44 44 ASP N N 15 123.139 0.03 . . . . . . . 44 ASP N . 27284 1 458 . 1 1 45 45 HIS H H 1 9.913 0.01 . . . . . . . 45 HIS H . 27284 1 459 . 1 1 45 45 HIS HA H 1 4.594 0.01 . . . . . . . 45 HIS HA . 27284 1 460 . 1 1 45 45 HIS C C 13 177.251 0.00 . . . . . . . 45 HIS C . 27284 1 461 . 1 1 45 45 HIS CA C 13 60.377 0.03 . . . . . . . 45 HIS CA . 27284 1 462 . 1 1 45 45 HIS N N 15 127.215 0.02 . . . . . . . 45 HIS N . 27284 1 463 . 1 1 46 46 GLN H H 1 8.705 0.01 . . . . . . . 46 GLN H . 27284 1 464 . 1 1 46 46 GLN HA H 1 3.681 0.01 . . . . . . . 46 GLN HA . 27284 1 465 . 1 1 46 46 GLN HB2 H 1 2.125 0.01 . . . . . . . 46 GLN HB2 . 27284 1 466 . 1 1 46 46 GLN HG2 H 1 1.867 0.00 . . . . . . . 46 GLN HG2 . 27284 1 467 . 1 1 46 46 GLN HG3 H 1 2.011 0.00 . . . . . . . 46 GLN HG3 . 27284 1 468 . 1 1 46 46 GLN C C 13 179.005 0.03 . . . . . . . 46 GLN C . 27284 1 469 . 1 1 46 46 GLN CA C 13 58.778 0.09 . . . . . . . 46 GLN CA . 27284 1 470 . 1 1 46 46 GLN CB C 13 28.142 0.02 . . . . . . . 46 GLN CB . 27284 1 471 . 1 1 46 46 GLN N N 15 119.999 0.02 . . . . . . . 46 GLN N . 27284 1 472 . 1 1 47 47 GLU H H 1 8.219 0.00 . . . . . . . 47 GLU H . 27284 1 473 . 1 1 47 47 GLU HA H 1 4.113 0.01 . . . . . . . 47 GLU HA . 27284 1 474 . 1 1 47 47 GLU HB3 H 1 2.431 0.01 . . . . . . . 47 GLU HB3 . 27284 1 475 . 1 1 47 47 GLU HG2 H 1 2.640 0.00 . . . . . . . 47 GLU HG2 . 27284 1 476 . 1 1 47 47 GLU HG3 H 1 2.416 0.00 . . . . . . . 47 GLU HG3 . 27284 1 477 . 1 1 47 47 GLU C C 13 178.018 0.00 . . . . . . . 47 GLU C . 27284 1 478 . 1 1 47 47 GLU CA C 13 60.272 0.09 . . . . . . . 47 GLU CA . 27284 1 479 . 1 1 47 47 GLU CB C 13 29.737 0.08 . . . . . . . 47 GLU CB . 27284 1 480 . 1 1 47 47 GLU N N 15 119.691 0.03 . . . . . . . 47 GLU N . 27284 1 481 . 1 1 48 48 LEU H H 1 7.096 0.01 . . . . . . . 48 LEU H . 27284 1 482 . 1 1 48 48 LEU HA H 1 3.689 0.01 . . . . . . . 48 LEU HA . 27284 1 483 . 1 1 48 48 LEU HB2 H 1 1.817 0.01 . . . . . . . 48 LEU HB2 . 27284 1 484 . 1 1 48 48 LEU HB3 H 1 1.091 0.01 . . . . . . . 48 LEU HB3 . 27284 1 485 . 1 1 48 48 LEU HD11 H 1 0.393 0.01 . . . . . . . 48 LEU HD1 . 27284 1 486 . 1 1 48 48 LEU HD12 H 1 0.393 0.01 . . . . . . . 48 LEU HD1 . 27284 1 487 . 1 1 48 48 LEU HD13 H 1 0.393 0.01 . . . . . . . 48 LEU HD1 . 27284 1 488 . 1 1 48 48 LEU HD21 H 1 0.011 0.01 . . . . . . . 48 LEU HD2 . 27284 1 489 . 1 1 48 48 LEU HD22 H 1 0.011 0.01 . . . . . . . 48 LEU HD2 . 27284 1 490 . 1 1 48 48 LEU HD23 H 1 0.011 0.01 . . . . . . . 48 LEU HD2 . 27284 1 491 . 1 1 48 48 LEU C C 13 178.873 0.01 . . . . . . . 48 LEU C . 27284 1 492 . 1 1 48 48 LEU CA C 13 58.649 0.06 . . . . . . . 48 LEU CA . 27284 1 493 . 1 1 48 48 LEU CB C 13 41.232 0.06 . . . . . . . 48 LEU CB . 27284 1 494 . 1 1 48 48 LEU CD1 C 13 25.065 0.07 . . . . . . . 48 LEU CD1 . 27284 1 495 . 1 1 48 48 LEU CD2 C 13 25.212 0.08 . . . . . . . 48 LEU CD2 . 27284 1 496 . 1 1 48 48 LEU N N 15 120.238 0.02 . . . . . . . 48 LEU N . 27284 1 497 . 1 1 49 49 LEU H H 1 7.319 0.01 . . . . . . . 49 LEU H . 27284 1 498 . 1 1 49 49 LEU HA H 1 3.949 0.01 . . . . . . . 49 LEU HA . 27284 1 499 . 1 1 49 49 LEU HB2 H 1 1.854 0.02 . . . . . . . 49 LEU HB2 . 27284 1 500 . 1 1 49 49 LEU HB3 H 1 1.528 0.01 . . . . . . . 49 LEU HB3 . 27284 1 501 . 1 1 49 49 LEU HG H 1 0.846 0.00 . . . . . . . 49 LEU HG . 27284 1 502 . 1 1 49 49 LEU HD11 H 1 0.729 0.00 . . . . . . . 49 LEU HD1 . 27284 1 503 . 1 1 49 49 LEU HD12 H 1 0.729 0.00 . . . . . . . 49 LEU HD1 . 27284 1 504 . 1 1 49 49 LEU HD13 H 1 0.729 0.00 . . . . . . . 49 LEU HD1 . 27284 1 505 . 1 1 49 49 LEU C C 13 178.187 0.00 . . . . . . . 49 LEU C . 27284 1 506 . 1 1 49 49 LEU CA C 13 57.561 0.07 . . . . . . . 49 LEU CA . 27284 1 507 . 1 1 49 49 LEU CB C 13 40.716 0.14 . . . . . . . 49 LEU CB . 27284 1 508 . 1 1 49 49 LEU N N 15 115.750 0.02 . . . . . . . 49 LEU N . 27284 1 509 . 1 1 50 50 GLN H H 1 8.159 0.01 . . . . . . . 50 GLN H . 27284 1 510 . 1 1 50 50 GLN HA H 1 3.925 0.01 . . . . . . . 50 GLN HA . 27284 1 511 . 1 1 50 50 GLN HB2 H 1 2.245 0.01 . . . . . . . 50 GLN HB2 . 27284 1 512 . 1 1 50 50 GLN HB3 H 1 2.130 0.01 . . . . . . . 50 GLN HB3 . 27284 1 513 . 1 1 50 50 GLN HG2 H 1 2.528 0.01 . . . . . . . 50 GLN HG2 . 27284 1 514 . 1 1 50 50 GLN HG3 H 1 2.316 0.01 . . . . . . . 50 GLN HG3 . 27284 1 515 . 1 1 50 50 GLN C C 13 178.817 0.00 . . . . . . . 50 GLN C . 27284 1 516 . 1 1 50 50 GLN CA C 13 59.298 0.11 . . . . . . . 50 GLN CA . 27284 1 517 . 1 1 50 50 GLN CB C 13 28.724 0.03 . . . . . . . 50 GLN CB . 27284 1 518 . 1 1 50 50 GLN CG C 13 34.461 0.08 . . . . . . . 50 GLN CG . 27284 1 519 . 1 1 50 50 GLN N N 15 118.406 0.03 . . . . . . . 50 GLN N . 27284 1 520 . 1 1 51 51 LEU H H 1 7.656 0.01 . . . . . . . 51 LEU H . 27284 1 521 . 1 1 51 51 LEU HA H 1 3.965 0.01 . . . . . . . 51 LEU HA . 27284 1 522 . 1 1 51 51 LEU HB2 H 1 2.044 0.01 . . . . . . . 51 LEU HB2 . 27284 1 523 . 1 1 51 51 LEU HB3 H 1 1.036 0.01 . . . . . . . 51 LEU HB3 . 27284 1 524 . 1 1 51 51 LEU HG H 1 1.205 0.01 . . . . . . . 51 LEU HG . 27284 1 525 . 1 1 51 51 LEU HD11 H 1 0.395 0.01 . . . . . . . 51 LEU HD1 . 27284 1 526 . 1 1 51 51 LEU HD12 H 1 0.395 0.01 . . . . . . . 51 LEU HD1 . 27284 1 527 . 1 1 51 51 LEU HD13 H 1 0.395 0.01 . . . . . . . 51 LEU HD1 . 27284 1 528 . 1 1 51 51 LEU HD21 H 1 0.015 0.01 . . . . . . . 51 LEU HD2 . 27284 1 529 . 1 1 51 51 LEU HD22 H 1 0.015 0.01 . . . . . . . 51 LEU HD2 . 27284 1 530 . 1 1 51 51 LEU HD23 H 1 0.015 0.01 . . . . . . . 51 LEU HD2 . 27284 1 531 . 1 1 51 51 LEU C C 13 178.624 0.01 . . . . . . . 51 LEU C . 27284 1 532 . 1 1 51 51 LEU CA C 13 58.357 0.13 . . . . . . . 51 LEU CA . 27284 1 533 . 1 1 51 51 LEU CB C 13 42.856 0.05 . . . . . . . 51 LEU CB . 27284 1 534 . 1 1 51 51 LEU CG C 13 27.075 0.09 . . . . . . . 51 LEU CG . 27284 1 535 . 1 1 51 51 LEU N N 15 119.277 0.02 . . . . . . . 51 LEU N . 27284 1 536 . 1 1 52 52 VAL H H 1 7.878 0.00 . . . . . . . 52 VAL H . 27284 1 537 . 1 1 52 52 VAL HA H 1 3.485 0.01 . . . . . . . 52 VAL HA . 27284 1 538 . 1 1 52 52 VAL HB H 1 2.017 0.01 . . . . . . . 52 VAL HB . 27284 1 539 . 1 1 52 52 VAL HG11 H 1 0.878 0.01 . . . . . . . 52 VAL HG1 . 27284 1 540 . 1 1 52 52 VAL HG12 H 1 0.878 0.01 . . . . . . . 52 VAL HG1 . 27284 1 541 . 1 1 52 52 VAL HG13 H 1 0.878 0.01 . . . . . . . 52 VAL HG1 . 27284 1 542 . 1 1 52 52 VAL HG21 H 1 0.859 0.01 . . . . . . . 52 VAL HG2 . 27284 1 543 . 1 1 52 52 VAL HG22 H 1 0.859 0.01 . . . . . . . 52 VAL HG2 . 27284 1 544 . 1 1 52 52 VAL HG23 H 1 0.859 0.01 . . . . . . . 52 VAL HG2 . 27284 1 545 . 1 1 52 52 VAL C C 13 177.685 0.02 . . . . . . . 52 VAL C . 27284 1 546 . 1 1 52 52 VAL CA C 13 66.607 0.07 . . . . . . . 52 VAL CA . 27284 1 547 . 1 1 52 52 VAL CB C 13 31.314 0.02 . . . . . . . 52 VAL CB . 27284 1 548 . 1 1 52 52 VAL N N 15 115.569 0.03 . . . . . . . 52 VAL N . 27284 1 549 . 1 1 53 53 VAL H H 1 8.728 0.00 . . . . . . . 53 VAL H . 27284 1 550 . 1 1 53 53 VAL HA H 1 3.495 0.01 . . . . . . . 53 VAL HA . 27284 1 551 . 1 1 53 53 VAL HB H 1 2.080 0.01 . . . . . . . 53 VAL HB . 27284 1 552 . 1 1 53 53 VAL HG11 H 1 1.046 0.01 . . . . . . . 53 VAL HG1 . 27284 1 553 . 1 1 53 53 VAL HG12 H 1 1.046 0.01 . . . . . . . 53 VAL HG1 . 27284 1 554 . 1 1 53 53 VAL HG13 H 1 1.046 0.01 . . . . . . . 53 VAL HG1 . 27284 1 555 . 1 1 53 53 VAL C C 13 179.298 0.01 . . . . . . . 53 VAL C . 27284 1 556 . 1 1 53 53 VAL CA C 13 67.107 0.11 . . . . . . . 53 VAL CA . 27284 1 557 . 1 1 53 53 VAL CB C 13 31.436 0.05 . . . . . . . 53 VAL CB . 27284 1 558 . 1 1 53 53 VAL N N 15 122.598 0.02 . . . . . . . 53 VAL N . 27284 1 559 . 1 1 54 54 LYS H H 1 7.898 0.01 . . . . . . . 54 LYS H . 27284 1 560 . 1 1 54 54 LYS HA H 1 4.114 0.01 . . . . . . . 54 LYS HA . 27284 1 561 . 1 1 54 54 LYS HB2 H 1 1.662 0.02 . . . . . . . 54 LYS HB2 . 27284 1 562 . 1 1 54 54 LYS HB3 H 1 1.753 0.01 . . . . . . . 54 LYS HB3 . 27284 1 563 . 1 1 54 54 LYS HG2 H 1 0.728 0.01 . . . . . . . 54 LYS HG2 . 27284 1 564 . 1 1 54 54 LYS C C 13 178.607 0.00 . . . . . . . 54 LYS C . 27284 1 565 . 1 1 54 54 LYS CA C 13 57.599 0.06 . . . . . . . 54 LYS CA . 27284 1 566 . 1 1 54 54 LYS CB C 13 30.414 0.05 . . . . . . . 54 LYS CB . 27284 1 567 . 1 1 54 54 LYS CG C 13 24.770 0.00 . . . . . . . 54 LYS CG . 27284 1 568 . 1 1 54 54 LYS N N 15 120.663 0.03 . . . . . . . 54 LYS N . 27284 1 569 . 1 1 55 55 LEU H H 1 8.430 0.01 . . . . . . . 55 LEU H . 27284 1 570 . 1 1 55 55 LEU HA H 1 3.834 0.01 . . . . . . . 55 LEU HA . 27284 1 571 . 1 1 55 55 LEU HB2 H 1 1.937 0.01 . . . . . . . 55 LEU HB2 . 27284 1 572 . 1 1 55 55 LEU HB3 H 1 1.291 0.03 . . . . . . . 55 LEU HB3 . 27284 1 573 . 1 1 55 55 LEU HG H 1 1.143 0.01 . . . . . . . 55 LEU HG . 27284 1 574 . 1 1 55 55 LEU HD11 H 1 0.532 0.00 . . . . . . . 55 LEU HD1 . 27284 1 575 . 1 1 55 55 LEU HD12 H 1 0.532 0.00 . . . . . . . 55 LEU HD1 . 27284 1 576 . 1 1 55 55 LEU HD13 H 1 0.532 0.00 . . . . . . . 55 LEU HD1 . 27284 1 577 . 1 1 55 55 LEU HD21 H 1 0.218 0.00 . . . . . . . 55 LEU HD2 . 27284 1 578 . 1 1 55 55 LEU HD22 H 1 0.218 0.00 . . . . . . . 55 LEU HD2 . 27284 1 579 . 1 1 55 55 LEU HD23 H 1 0.218 0.00 . . . . . . . 55 LEU HD2 . 27284 1 580 . 1 1 55 55 LEU C C 13 179.958 0.02 . . . . . . . 55 LEU C . 27284 1 581 . 1 1 55 55 LEU CA C 13 56.993 0.07 . . . . . . . 55 LEU CA . 27284 1 582 . 1 1 55 55 LEU CB C 13 40.748 0.05 . . . . . . . 55 LEU CB . 27284 1 583 . 1 1 55 55 LEU N N 15 120.687 0.04 . . . . . . . 55 LEU N . 27284 1 584 . 1 1 56 56 SER H H 1 8.652 0.00 . . . . . . . 56 SER H . 27284 1 585 . 1 1 56 56 SER HA H 1 4.244 0.00 . . . . . . . 56 SER HA . 27284 1 586 . 1 1 56 56 SER HB2 H 1 4.047 0.01 . . . . . . . 56 SER HB2 . 27284 1 587 . 1 1 56 56 SER HB3 H 1 3.879 0.01 . . . . . . . 56 SER HB3 . 27284 1 588 . 1 1 56 56 SER C C 13 177.235 0.02 . . . . . . . 56 SER C . 27284 1 589 . 1 1 56 56 SER CA C 13 60.662 0.03 . . . . . . . 56 SER CA . 27284 1 590 . 1 1 56 56 SER CB C 13 63.922 0.00 . . . . . . . 56 SER CB . 27284 1 591 . 1 1 56 56 SER N N 15 118.996 0.03 . . . . . . . 56 SER N . 27284 1 592 . 1 1 57 57 GLU H H 1 7.701 0.01 . . . . . . . 57 GLU H . 27284 1 593 . 1 1 57 57 GLU HA H 1 3.943 0.02 . . . . . . . 57 GLU HA . 27284 1 594 . 1 1 57 57 GLU HB2 H 1 2.227 0.01 . . . . . . . 57 GLU HB2 . 27284 1 595 . 1 1 57 57 GLU HB3 H 1 2.132 0.01 . . . . . . . 57 GLU HB3 . 27284 1 596 . 1 1 57 57 GLU HG2 H 1 2.205 0.01 . . . . . . . 57 GLU HG2 . 27284 1 597 . 1 1 57 57 GLU HG3 H 1 2.435 0.01 . . . . . . . 57 GLU HG3 . 27284 1 598 . 1 1 57 57 GLU C C 13 179.299 0.01 . . . . . . . 57 GLU C . 27284 1 599 . 1 1 57 57 GLU CA C 13 59.308 0.07 . . . . . . . 57 GLU CA . 27284 1 600 . 1 1 57 57 GLU CB C 13 29.601 0.09 . . . . . . . 57 GLU CB . 27284 1 601 . 1 1 57 57 GLU CG C 13 36.028 0.08 . . . . . . . 57 GLU CG . 27284 1 602 . 1 1 57 57 GLU N N 15 120.491 0.03 . . . . . . . 57 GLU N . 27284 1 603 . 1 1 58 58 VAL H H 1 7.863 0.00 . . . . . . . 58 VAL H . 27284 1 604 . 1 1 58 58 VAL HA H 1 3.924 0.01 . . . . . . . 58 VAL HA . 27284 1 605 . 1 1 58 58 VAL HB H 1 2.033 0.02 . . . . . . . 58 VAL HB . 27284 1 606 . 1 1 58 58 VAL HG11 H 1 0.609 0.01 . . . . . . . 58 VAL HG1 . 27284 1 607 . 1 1 58 58 VAL HG12 H 1 0.609 0.01 . . . . . . . 58 VAL HG1 . 27284 1 608 . 1 1 58 58 VAL HG13 H 1 0.609 0.01 . . . . . . . 58 VAL HG1 . 27284 1 609 . 1 1 58 58 VAL HG21 H 1 0.895 0.02 . . . . . . . 58 VAL HG2 . 27284 1 610 . 1 1 58 58 VAL HG22 H 1 0.895 0.02 . . . . . . . 58 VAL HG2 . 27284 1 611 . 1 1 58 58 VAL HG23 H 1 0.895 0.02 . . . . . . . 58 VAL HG2 . 27284 1 612 . 1 1 58 58 VAL C C 13 177.486 0.03 . . . . . . . 58 VAL C . 27284 1 613 . 1 1 58 58 VAL CA C 13 64.436 0.06 . . . . . . . 58 VAL CA . 27284 1 614 . 1 1 58 58 VAL CB C 13 32.451 0.08 . . . . . . . 58 VAL CB . 27284 1 615 . 1 1 58 58 VAL CG1 C 13 21.047 0.09 . . . . . . . 58 VAL CG1 . 27284 1 616 . 1 1 58 58 VAL CG2 C 13 21.047 0.09 . . . . . . . 58 VAL CG2 . 27284 1 617 . 1 1 58 58 VAL N N 15 114.672 0.02 . . . . . . . 58 VAL N . 27284 1 618 . 1 1 59 59 SER H H 1 8.303 0.01 . . . . . . . 59 SER H . 27284 1 619 . 1 1 59 59 SER HA H 1 4.393 0.02 . . . . . . . 59 SER HA . 27284 1 620 . 1 1 59 59 SER HB2 H 1 3.920 0.01 . . . . . . . 59 SER HB2 . 27284 1 621 . 1 1 59 59 SER HB3 H 1 3.322 0.00 . . . . . . . 59 SER HB3 . 27284 1 622 . 1 1 59 59 SER C C 13 175.477 0.01 . . . . . . . 59 SER C . 27284 1 623 . 1 1 59 59 SER CA C 13 59.878 0.08 . . . . . . . 59 SER CA . 27284 1 624 . 1 1 59 59 SER CB C 13 66.567 0.05 . . . . . . . 59 SER CB . 27284 1 625 . 1 1 59 59 SER N N 15 114.232 0.03 . . . . . . . 59 SER N . 27284 1 626 . 1 1 60 60 SER H H 1 8.002 0.01 . . . . . . . 60 SER H . 27284 1 627 . 1 1 60 60 SER HA H 1 4.113 0.01 . . . . . . . 60 SER HA . 27284 1 628 . 1 1 60 60 SER HB2 H 1 1.695 0.00 . . . . . . . 60 SER HB . 27284 1 629 . 1 1 60 60 SER HB3 H 1 1.695 0.00 . . . . . . . 60 SER HB . 27284 1 630 . 1 1 60 60 SER C C 13 173.142 0.04 . . . . . . . 60 SER C . 27284 1 631 . 1 1 60 60 SER CA C 13 60.708 0.04 . . . . . . . 60 SER CA . 27284 1 632 . 1 1 60 60 SER CB C 13 62.015 0.00 . . . . . . . 60 SER CB . 27284 1 633 . 1 1 60 60 SER N N 15 115.883 0.02 . . . . . . . 60 SER N . 27284 1 634 . 1 1 61 61 VAL H H 1 7.820 0.00 . . . . . . . 61 VAL H . 27284 1 635 . 1 1 61 61 VAL HB H 1 1.832 0.00 . . . . . . . 61 VAL HB . 27284 1 636 . 1 1 61 61 VAL HG11 H 1 0.621 0.00 . . . . . . . 61 VAL HG1 . 27284 1 637 . 1 1 61 61 VAL HG12 H 1 0.621 0.00 . . . . . . . 61 VAL HG1 . 27284 1 638 . 1 1 61 61 VAL HG13 H 1 0.621 0.00 . . . . . . . 61 VAL HG1 . 27284 1 639 . 1 1 61 61 VAL HG21 H 1 0.950 0.00 . . . . . . . 61 VAL HG2 . 27284 1 640 . 1 1 61 61 VAL HG22 H 1 0.950 0.00 . . . . . . . 61 VAL HG2 . 27284 1 641 . 1 1 61 61 VAL HG23 H 1 0.950 0.00 . . . . . . . 61 VAL HG2 . 27284 1 642 . 1 1 61 61 VAL C C 13 174.498 0.00 . . . . . . . 61 VAL C . 27284 1 643 . 1 1 61 61 VAL CA C 13 60.135 0.00 . . . . . . . 61 VAL CA . 27284 1 644 . 1 1 61 61 VAL CB C 13 33.571 0.00 . . . . . . . 61 VAL CB . 27284 1 645 . 1 1 61 61 VAL N N 15 125.344 0.02 . . . . . . . 61 VAL N . 27284 1 646 . 1 1 62 62 PRO HA H 1 4.294 0.01 . . . . . . . 62 PRO HA . 27284 1 647 . 1 1 62 62 PRO HB2 H 1 2.489 0.01 . . . . . . . 62 PRO HB2 . 27284 1 648 . 1 1 62 62 PRO HB3 H 1 1.746 0.01 . . . . . . . 62 PRO HB3 . 27284 1 649 . 1 1 62 62 PRO HG2 H 1 1.961 0.00 . . . . . . . 62 PRO HG . 27284 1 650 . 1 1 62 62 PRO HG3 H 1 1.961 0.00 . . . . . . . 62 PRO HG . 27284 1 651 . 1 1 62 62 PRO HD2 H 1 3.806 0.01 . . . . . . . 62 PRO HD2 . 27284 1 652 . 1 1 62 62 PRO C C 13 176.902 0.00 . . . . . . . 62 PRO C . 27284 1 653 . 1 1 62 62 PRO CA C 13 63.319 0.10 . . . . . . . 62 PRO CA . 27284 1 654 . 1 1 62 62 PRO CB C 13 33.195 0.12 . . . . . . . 62 PRO CB . 27284 1 655 . 1 1 63 63 VAL H H 1 8.629 0.00 . . . . . . . 63 VAL H . 27284 1 656 . 1 1 63 63 VAL HA H 1 3.386 0.01 . . . . . . . 63 VAL HA . 27284 1 657 . 1 1 63 63 VAL HB H 1 2.077 0.02 . . . . . . . 63 VAL HB . 27284 1 658 . 1 1 63 63 VAL HG11 H 1 1.133 0.00 . . . . . . . 63 VAL HG1 . 27284 1 659 . 1 1 63 63 VAL HG12 H 1 1.133 0.00 . . . . . . . 63 VAL HG1 . 27284 1 660 . 1 1 63 63 VAL HG13 H 1 1.133 0.00 . . . . . . . 63 VAL HG1 . 27284 1 661 . 1 1 63 63 VAL HG21 H 1 0.893 0.00 . . . . . . . 63 VAL HG2 . 27284 1 662 . 1 1 63 63 VAL HG22 H 1 0.893 0.00 . . . . . . . 63 VAL HG2 . 27284 1 663 . 1 1 63 63 VAL HG23 H 1 0.893 0.00 . . . . . . . 63 VAL HG2 . 27284 1 664 . 1 1 63 63 VAL C C 13 177.368 0.01 . . . . . . . 63 VAL C . 27284 1 665 . 1 1 63 63 VAL CA C 13 67.516 0.06 . . . . . . . 63 VAL CA . 27284 1 666 . 1 1 63 63 VAL CB C 13 32.266 0.03 . . . . . . . 63 VAL CB . 27284 1 667 . 1 1 63 63 VAL N N 15 123.761 0.02 . . . . . . . 63 VAL N . 27284 1 668 . 1 1 64 64 THR H H 1 8.119 0.00 . . . . . . . 64 THR H . 27284 1 669 . 1 1 64 64 THR HA H 1 3.847 0.01 . . . . . . . 64 THR HA . 27284 1 670 . 1 1 64 64 THR HB H 1 4.215 0.01 . . . . . . . 64 THR HB . 27284 1 671 . 1 1 64 64 THR HG21 H 1 1.261 0.00 . . . . . . . 64 THR HG2 . 27284 1 672 . 1 1 64 64 THR HG22 H 1 1.261 0.00 . . . . . . . 64 THR HG2 . 27284 1 673 . 1 1 64 64 THR HG23 H 1 1.261 0.00 . . . . . . . 64 THR HG2 . 27284 1 674 . 1 1 64 64 THR C C 13 176.334 0.02 . . . . . . . 64 THR C . 27284 1 675 . 1 1 64 64 THR CA C 13 65.250 0.05 . . . . . . . 64 THR CA . 27284 1 676 . 1 1 64 64 THR CB C 13 67.948 0.04 . . . . . . . 64 THR CB . 27284 1 677 . 1 1 64 64 THR N N 15 108.292 0.01 . . . . . . . 64 THR N . 27284 1 678 . 1 1 65 65 GLU H H 1 6.694 0.01 . . . . . . . 65 GLU H . 27284 1 679 . 1 1 65 65 GLU HA H 1 4.077 0.01 . . . . . . . 65 GLU HA . 27284 1 680 . 1 1 65 65 GLU HB2 H 1 2.012 0.01 . . . . . . . 65 GLU HB . 27284 1 681 . 1 1 65 65 GLU HB3 H 1 2.012 0.01 . . . . . . . 65 GLU HB . 27284 1 682 . 1 1 65 65 GLU HG2 H 1 2.232 0.01 . . . . . . . 65 GLU HG2 . 27284 1 683 . 1 1 65 65 GLU C C 13 179.338 0.02 . . . . . . . 65 GLU C . 27284 1 684 . 1 1 65 65 GLU CA C 13 58.647 0.03 . . . . . . . 65 GLU CA . 27284 1 685 . 1 1 65 65 GLU CB C 13 29.461 0.05 . . . . . . . 65 GLU CB . 27284 1 686 . 1 1 65 65 GLU CG C 13 36.077 0.00 . . . . . . . 65 GLU CG . 27284 1 687 . 1 1 65 65 GLU N N 15 119.639 0.02 . . . . . . . 65 GLU N . 27284 1 688 . 1 1 66 66 LEU H H 1 7.886 0.01 . . . . . . . 66 LEU H . 27284 1 689 . 1 1 66 66 LEU HA H 1 3.970 0.01 . . . . . . . 66 LEU HA . 27284 1 690 . 1 1 66 66 LEU HB2 H 1 2.051 0.00 . . . . . . . 66 LEU HB2 . 27284 1 691 . 1 1 66 66 LEU HB3 H 1 1.606 0.00 . . . . . . . 66 LEU HB3 . 27284 1 692 . 1 1 66 66 LEU HD11 H 1 1.028 0.02 . . . . . . . 66 LEU HD1 . 27284 1 693 . 1 1 66 66 LEU HD12 H 1 1.028 0.02 . . . . . . . 66 LEU HD1 . 27284 1 694 . 1 1 66 66 LEU HD13 H 1 1.028 0.02 . . . . . . . 66 LEU HD1 . 27284 1 695 . 1 1 66 66 LEU HD21 H 1 0.738 0.01 . . . . . . . 66 LEU HD2 . 27284 1 696 . 1 1 66 66 LEU HD22 H 1 0.738 0.01 . . . . . . . 66 LEU HD2 . 27284 1 697 . 1 1 66 66 LEU HD23 H 1 0.738 0.01 . . . . . . . 66 LEU HD2 . 27284 1 698 . 1 1 66 66 LEU C C 13 178.572 0.02 . . . . . . . 66 LEU C . 27284 1 699 . 1 1 66 66 LEU CA C 13 57.841 0.06 . . . . . . . 66 LEU CA . 27284 1 700 . 1 1 66 66 LEU CB C 13 42.928 0.07 . . . . . . . 66 LEU CB . 27284 1 701 . 1 1 66 66 LEU N N 15 121.215 0.03 . . . . . . . 66 LEU N . 27284 1 702 . 1 1 67 67 VAL H H 1 8.355 0.01 . . . . . . . 67 VAL H . 27284 1 703 . 1 1 67 67 VAL HA H 1 3.620 0.01 . . . . . . . 67 VAL HA . 27284 1 704 . 1 1 67 67 VAL HB H 1 2.050 0.00 . . . . . . . 67 VAL HB . 27284 1 705 . 1 1 67 67 VAL HG11 H 1 1.033 0.00 . . . . . . . 67 VAL HG1 . 27284 1 706 . 1 1 67 67 VAL HG12 H 1 1.033 0.00 . . . . . . . 67 VAL HG1 . 27284 1 707 . 1 1 67 67 VAL HG13 H 1 1.033 0.00 . . . . . . . 67 VAL HG1 . 27284 1 708 . 1 1 67 67 VAL C C 13 176.127 0.00 . . . . . . . 67 VAL C . 27284 1 709 . 1 1 67 67 VAL CA C 13 66.951 0.04 . . . . . . . 67 VAL CA . 27284 1 710 . 1 1 67 67 VAL CB C 13 31.312 0.00 . . . . . . . 67 VAL CB . 27284 1 711 . 1 1 67 67 VAL N N 15 116.574 0.02 . . . . . . . 67 VAL N . 27284 1 712 . 1 1 68 68 ARG H H 1 7.378 0.00 . . . . . . . 68 ARG H . 27284 1 713 . 1 1 68 68 ARG HA H 1 4.070 0.01 . . . . . . . 68 ARG HA . 27284 1 714 . 1 1 68 68 ARG HB2 H 1 1.849 0.01 . . . . . . . 68 ARG HB2 . 27284 1 715 . 1 1 68 68 ARG HB3 H 1 2.007 0.00 . . . . . . . 68 ARG HB3 . 27284 1 716 . 1 1 68 68 ARG CA C 13 59.943 0.01 . . . . . . . 68 ARG CA . 27284 1 717 . 1 1 68 68 ARG CB C 13 30.634 0.18 . . . . . . . 68 ARG CB . 27284 1 718 . 1 1 68 68 ARG N N 15 120.649 0.05 . . . . . . . 68 ARG N . 27284 1 719 . 1 1 69 69 LEU H H 1 8.036 0.01 . . . . . . . 69 LEU H . 27284 1 720 . 1 1 69 69 LEU HA H 1 3.936 0.01 . . . . . . . 69 LEU HA . 27284 1 721 . 1 1 69 69 LEU HB2 H 1 1.736 0.01 . . . . . . . 69 LEU HB2 . 27284 1 722 . 1 1 69 69 LEU HB3 H 1 1.859 0.02 . . . . . . . 69 LEU HB3 . 27284 1 723 . 1 1 69 69 LEU HG H 1 0.804 0.00 . . . . . . . 69 LEU HG . 27284 1 724 . 1 1 69 69 LEU HD11 H 1 1.586 0.01 . . . . . . . 69 LEU HD1 . 27284 1 725 . 1 1 69 69 LEU HD12 H 1 1.586 0.01 . . . . . . . 69 LEU HD1 . 27284 1 726 . 1 1 69 69 LEU HD13 H 1 1.586 0.01 . . . . . . . 69 LEU HD1 . 27284 1 727 . 1 1 69 69 LEU HD21 H 1 0.852 0.02 . . . . . . . 69 LEU HD2 . 27284 1 728 . 1 1 69 69 LEU HD22 H 1 0.852 0.02 . . . . . . . 69 LEU HD2 . 27284 1 729 . 1 1 69 69 LEU HD23 H 1 0.852 0.02 . . . . . . . 69 LEU HD2 . 27284 1 730 . 1 1 69 69 LEU C C 13 178.900 0.00 . . . . . . . 69 LEU C . 27284 1 731 . 1 1 69 69 LEU CA C 13 57.987 0.11 . . . . . . . 69 LEU CA . 27284 1 732 . 1 1 69 69 LEU CB C 13 41.951 0.08 . . . . . . . 69 LEU CB . 27284 1 733 . 1 1 69 69 LEU N N 15 121.314 0.03 . . . . . . . 69 LEU N . 27284 1 734 . 1 1 70 70 PHE H H 1 8.077 0.01 . . . . . . . 70 PHE H . 27284 1 735 . 1 1 70 70 PHE HA H 1 4.358 0.02 . . . . . . . 70 PHE HA . 27284 1 736 . 1 1 70 70 PHE HB2 H 1 3.185 0.01 . . . . . . . 70 PHE HB2 . 27284 1 737 . 1 1 70 70 PHE HB3 H 1 3.005 0.01 . . . . . . . 70 PHE HB3 . 27284 1 738 . 1 1 70 70 PHE HD1 H 1 6.810 0.02 . . . . . . . 70 PHE HD . 27284 1 739 . 1 1 70 70 PHE HD2 H 1 6.810 0.02 . . . . . . . 70 PHE HD . 27284 1 740 . 1 1 70 70 PHE HE1 H 1 6.924 0.00 . . . . . . . 70 PHE HE . 27284 1 741 . 1 1 70 70 PHE HE2 H 1 6.924 0.00 . . . . . . . 70 PHE HE . 27284 1 742 . 1 1 70 70 PHE C C 13 176.436 0.02 . . . . . . . 70 PHE C . 27284 1 743 . 1 1 70 70 PHE CA C 13 58.223 0.15 . . . . . . . 70 PHE CA . 27284 1 744 . 1 1 70 70 PHE CB C 13 38.030 0.07 . . . . . . . 70 PHE CB . 27284 1 745 . 1 1 70 70 PHE N N 15 117.738 0.03 . . . . . . . 70 PHE N . 27284 1 746 . 1 1 71 71 GLY H H 1 8.327 0.00 . . . . . . . 71 GLY H . 27284 1 747 . 1 1 71 71 GLY HA2 H 1 2.859 0.01 . . . . . . . 71 GLY HA2 . 27284 1 748 . 1 1 71 71 GLY HA3 H 1 2.290 0.02 . . . . . . . 71 GLY HA3 . 27284 1 749 . 1 1 71 71 GLY C C 13 172.723 0.00 . . . . . . . 71 GLY C . 27284 1 750 . 1 1 71 71 GLY CA C 13 47.487 0.07 . . . . . . . 71 GLY CA . 27284 1 751 . 1 1 71 71 GLY N N 15 106.143 0.02 . . . . . . . 71 GLY N . 27284 1 752 . 1 1 72 72 LYS H H 1 7.381 0.00 . . . . . . . 72 LYS H . 27284 1 753 . 1 1 72 72 LYS HA H 1 3.379 0.01 . . . . . . . 72 LYS HA . 27284 1 754 . 1 1 72 72 LYS HB2 H 1 1.730 0.02 . . . . . . . 72 LYS HB2 . 27284 1 755 . 1 1 72 72 LYS HB3 H 1 1.846 0.00 . . . . . . . 72 LYS HB3 . 27284 1 756 . 1 1 72 72 LYS C C 13 178.444 0.01 . . . . . . . 72 LYS C . 27284 1 757 . 1 1 72 72 LYS CA C 13 59.883 0.10 . . . . . . . 72 LYS CA . 27284 1 758 . 1 1 72 72 LYS CB C 13 32.260 0.23 . . . . . . . 72 LYS CB . 27284 1 759 . 1 1 72 72 LYS N N 15 120.286 0.02 . . . . . . . 72 LYS N . 27284 1 760 . 1 1 73 73 LYS H H 1 7.194 0.01 . . . . . . . 73 LYS H . 27284 1 761 . 1 1 73 73 LYS HA H 1 3.863 0.02 . . . . . . . 73 LYS HA . 27284 1 762 . 1 1 73 73 LYS HB2 H 1 1.824 0.03 . . . . . . . 73 LYS HB2 . 27284 1 763 . 1 1 73 73 LYS HB3 H 1 1.859 0.01 . . . . . . . 73 LYS HB3 . 27284 1 764 . 1 1 73 73 LYS HG2 H 1 1.433 0.00 . . . . . . . 73 LYS HG2 . 27284 1 765 . 1 1 73 73 LYS HG3 H 1 1.240 0.00 . . . . . . . 73 LYS HG3 . 27284 1 766 . 1 1 73 73 LYS HD2 H 1 1.578 0.00 . . . . . . . 73 LYS HD . 27284 1 767 . 1 1 73 73 LYS HD3 H 1 1.578 0.00 . . . . . . . 73 LYS HD . 27284 1 768 . 1 1 73 73 LYS C C 13 178.320 0.01 . . . . . . . 73 LYS C . 27284 1 769 . 1 1 73 73 LYS CA C 13 57.877 0.01 . . . . . . . 73 LYS CA . 27284 1 770 . 1 1 73 73 LYS CB C 13 32.618 0.05 . . . . . . . 73 LYS CB . 27284 1 771 . 1 1 73 73 LYS CG C 13 24.762 0.00 . . . . . . . 73 LYS CG . 27284 1 772 . 1 1 73 73 LYS N N 15 118.168 0.02 . . . . . . . 73 LYS N . 27284 1 773 . 1 1 74 74 LEU H H 1 7.867 0.01 . . . . . . . 74 LEU H . 27284 1 774 . 1 1 74 74 LEU HA H 1 3.382 0.01 . . . . . . . 74 LEU HA . 27284 1 775 . 1 1 74 74 LEU HB2 H 1 0.294 0.01 . . . . . . . 74 LEU HB2 . 27284 1 776 . 1 1 74 74 LEU HB3 H 1 0.206 0.01 . . . . . . . 74 LEU HB3 . 27284 1 777 . 1 1 74 74 LEU HG H 1 -0.419 0.00 . . . . . . . 74 LEU HG . 27284 1 778 . 1 1 74 74 LEU HD11 H 1 -1.624 0.00 . . . . . . . 74 LEU HD1 . 27284 1 779 . 1 1 74 74 LEU HD12 H 1 -1.624 0.00 . . . . . . . 74 LEU HD1 . 27284 1 780 . 1 1 74 74 LEU HD13 H 1 -1.624 0.00 . . . . . . . 74 LEU HD1 . 27284 1 781 . 1 1 74 74 LEU HD21 H 1 -3.093 0.00 . . . . . . . 74 LEU HD2 . 27284 1 782 . 1 1 74 74 LEU HD22 H 1 -3.093 0.00 . . . . . . . 74 LEU HD2 . 27284 1 783 . 1 1 74 74 LEU HD23 H 1 -3.093 0.00 . . . . . . . 74 LEU HD2 . 27284 1 784 . 1 1 74 74 LEU C C 13 177.212 0.02 . . . . . . . 74 LEU C . 27284 1 785 . 1 1 74 74 LEU CA C 13 55.828 0.06 . . . . . . . 74 LEU CA . 27284 1 786 . 1 1 74 74 LEU CB C 13 40.777 0.06 . . . . . . . 74 LEU CB . 27284 1 787 . 1 1 74 74 LEU CG C 13 25.439 0.12 . . . . . . . 74 LEU CG . 27284 1 788 . 1 1 74 74 LEU CD1 C 13 22.182 0.08 . . . . . . . 74 LEU CD1 . 27284 1 789 . 1 1 74 74 LEU N N 15 118.681 0.02 . . . . . . . 74 LEU N . 27284 1 790 . 1 1 75 75 PHE H H 1 6.993 0.02 . . . . . . . 75 PHE H . 27284 1 791 . 1 1 75 75 PHE HB2 H 1 2.630 0.00 . . . . . . . 75 PHE HB2 . 27284 1 792 . 1 1 75 75 PHE HB3 H 1 2.500 0.00 . . . . . . . 75 PHE HB3 . 27284 1 793 . 1 1 75 75 PHE HE1 H 1 6.482 0.02 . . . . . . . 75 PHE HE . 27284 1 794 . 1 1 75 75 PHE HE2 H 1 6.482 0.02 . . . . . . . 75 PHE HE . 27284 1 795 . 1 1 75 75 PHE C C 13 175.308 0.00 . . . . . . . 75 PHE C . 27284 1 796 . 1 1 75 75 PHE CA C 13 63.189 0.02 . . . . . . . 75 PHE CA . 27284 1 797 . 1 1 75 75 PHE CB C 13 39.113 0.05 . . . . . . . 75 PHE CB . 27284 1 798 . 1 1 75 75 PHE N N 15 115.651 0.03 . . . . . . . 75 PHE N . 27284 1 799 . 1 1 76 76 VAL H H 1 7.301 0.01 . . . . . . . 76 VAL H . 27284 1 800 . 1 1 76 76 VAL HA H 1 3.143 0.01 . . . . . . . 76 VAL HA . 27284 1 801 . 1 1 76 76 VAL HB H 1 2.005 0.01 . . . . . . . 76 VAL HB . 27284 1 802 . 1 1 76 76 VAL HG11 H 1 1.050 0.01 . . . . . . . 76 VAL HG1 . 27284 1 803 . 1 1 76 76 VAL HG12 H 1 1.050 0.01 . . . . . . . 76 VAL HG1 . 27284 1 804 . 1 1 76 76 VAL HG13 H 1 1.050 0.01 . . . . . . . 76 VAL HG1 . 27284 1 805 . 1 1 76 76 VAL HG21 H 1 0.868 0.01 . . . . . . . 76 VAL HG2 . 27284 1 806 . 1 1 76 76 VAL HG22 H 1 0.868 0.01 . . . . . . . 76 VAL HG2 . 27284 1 807 . 1 1 76 76 VAL HG23 H 1 0.868 0.01 . . . . . . . 76 VAL HG2 . 27284 1 808 . 1 1 76 76 VAL C C 13 176.326 0.02 . . . . . . . 76 VAL C . 27284 1 809 . 1 1 76 76 VAL CA C 13 65.241 0.06 . . . . . . . 76 VAL CA . 27284 1 810 . 1 1 76 76 VAL CB C 13 31.392 0.06 . . . . . . . 76 VAL CB . 27284 1 811 . 1 1 76 76 VAL N N 15 114.518 0.02 . . . . . . . 76 VAL N . 27284 1 812 . 1 1 77 77 GLU H H 1 6.615 0.01 . . . . . . . 77 GLU H . 27284 1 813 . 1 1 77 77 GLU HA H 1 3.854 0.01 . . . . . . . 77 GLU HA . 27284 1 814 . 1 1 77 77 GLU HB2 H 1 1.638 0.00 . . . . . . . 77 GLU HB2 . 27284 1 815 . 1 1 77 77 GLU HB3 H 1 1.765 0.01 . . . . . . . 77 GLU HB3 . 27284 1 816 . 1 1 77 77 GLU C C 13 180.863 0.02 . . . . . . . 77 GLU C . 27284 1 817 . 1 1 77 77 GLU CA C 13 58.265 0.11 . . . . . . . 77 GLU CA . 27284 1 818 . 1 1 77 77 GLU CB C 13 28.755 0.04 . . . . . . . 77 GLU CB . 27284 1 819 . 1 1 77 77 GLU N N 15 118.720 0.02 . . . . . . . 77 GLU N . 27284 1 820 . 1 1 78 78 LEU H H 1 7.688 0.01 . . . . . . . 78 LEU H . 27284 1 821 . 1 1 78 78 LEU HA H 1 3.970 0.02 . . . . . . . 78 LEU HA . 27284 1 822 . 1 1 78 78 LEU HB2 H 1 2.690 0.00 . . . . . . . 78 LEU HB2 . 27284 1 823 . 1 1 78 78 LEU HB3 H 1 0.826 0.01 . . . . . . . 78 LEU HB3 . 27284 1 824 . 1 1 78 78 LEU HG H 1 0.573 0.02 . . . . . . . 78 LEU HG . 27284 1 825 . 1 1 78 78 LEU HD11 H 1 -2.380 0.00 . . . . . . . 78 LEU HD1 . 27284 1 826 . 1 1 78 78 LEU HD12 H 1 -2.380 0.00 . . . . . . . 78 LEU HD1 . 27284 1 827 . 1 1 78 78 LEU HD13 H 1 -2.380 0.00 . . . . . . . 78 LEU HD1 . 27284 1 828 . 1 1 78 78 LEU HD21 H 1 0.234 0.01 . . . . . . . 78 LEU HD2 . 27284 1 829 . 1 1 78 78 LEU HD22 H 1 0.234 0.01 . . . . . . . 78 LEU HD2 . 27284 1 830 . 1 1 78 78 LEU HD23 H 1 0.234 0.01 . . . . . . . 78 LEU HD2 . 27284 1 831 . 1 1 78 78 LEU C C 13 179.806 0.03 . . . . . . . 78 LEU C . 27284 1 832 . 1 1 78 78 LEU CA C 13 57.639 0.07 . . . . . . . 78 LEU CA . 27284 1 833 . 1 1 78 78 LEU CB C 13 40.428 0.07 . . . . . . . 78 LEU CB . 27284 1 834 . 1 1 78 78 LEU CG C 13 25.805 0.05 . . . . . . . 78 LEU CG . 27284 1 835 . 1 1 78 78 LEU CD1 C 13 23.914 0.07 . . . . . . . 78 LEU CD1 . 27284 1 836 . 1 1 78 78 LEU CD2 C 13 21.267 0.10 . . . . . . . 78 LEU CD2 . 27284 1 837 . 1 1 78 78 LEU N N 15 120.362 0.04 . . . . . . . 78 LEU N . 27284 1 838 . 1 1 79 79 ILE H H 1 7.587 0.02 . . . . . . . 79 ILE H . 27284 1 839 . 1 1 79 79 ILE HA H 1 3.833 0.01 . . . . . . . 79 ILE HA . 27284 1 840 . 1 1 79 79 ILE HB H 1 1.207 0.01 . . . . . . . 79 ILE HB . 27284 1 841 . 1 1 79 79 ILE HG12 H 1 0.753 0.01 . . . . . . . 79 ILE HG12 . 27284 1 842 . 1 1 79 79 ILE HG13 H 1 0.721 0.01 . . . . . . . 79 ILE HG13 . 27284 1 843 . 1 1 79 79 ILE HG21 H 1 0.373 0.01 . . . . . . . 79 ILE HG2 . 27284 1 844 . 1 1 79 79 ILE HG22 H 1 0.373 0.01 . . . . . . . 79 ILE HG2 . 27284 1 845 . 1 1 79 79 ILE HG23 H 1 0.373 0.01 . . . . . . . 79 ILE HG2 . 27284 1 846 . 1 1 79 79 ILE HD11 H 1 0.617 0.01 . . . . . . . 79 ILE HD1 . 27284 1 847 . 1 1 79 79 ILE HD12 H 1 0.617 0.01 . . . . . . . 79 ILE HD1 . 27284 1 848 . 1 1 79 79 ILE HD13 H 1 0.617 0.01 . . . . . . . 79 ILE HD1 . 27284 1 849 . 1 1 79 79 ILE C C 13 178.627 0.01 . . . . . . . 79 ILE C . 27284 1 850 . 1 1 79 79 ILE CA C 13 62.206 0.07 . . . . . . . 79 ILE CA . 27284 1 851 . 1 1 79 79 ILE CB C 13 36.541 0.08 . . . . . . . 79 ILE CB . 27284 1 852 . 1 1 79 79 ILE CG1 C 13 27.916 0.09 . . . . . . . 79 ILE CG1 . 27284 1 853 . 1 1 79 79 ILE CG2 C 13 17.828 0.04 . . . . . . . 79 ILE CG2 . 27284 1 854 . 1 1 79 79 ILE CD1 C 13 11.142 0.09 . . . . . . . 79 ILE CD1 . 27284 1 855 . 1 1 79 79 ILE N N 15 120.163 0.08 . . . . . . . 79 ILE N . 27284 1 856 . 1 1 80 80 GLU H H 1 8.246 0.01 . . . . . . . 80 GLU H . 27284 1 857 . 1 1 80 80 GLU HA H 1 3.942 0.02 . . . . . . . 80 GLU HA . 27284 1 858 . 1 1 80 80 GLU HB2 H 1 1.949 0.00 . . . . . . . 80 GLU HB2 . 27284 1 859 . 1 1 80 80 GLU HB3 H 1 1.904 0.02 . . . . . . . 80 GLU HB3 . 27284 1 860 . 1 1 80 80 GLU HG2 H 1 2.477 0.01 . . . . . . . 80 GLU HG2 . 27284 1 861 . 1 1 80 80 GLU HG3 H 1 2.156 0.01 . . . . . . . 80 GLU HG3 . 27284 1 862 . 1 1 80 80 GLU C C 13 178.815 0.02 . . . . . . . 80 GLU C . 27284 1 863 . 1 1 80 80 GLU CA C 13 58.773 0.02 . . . . . . . 80 GLU CA . 27284 1 864 . 1 1 80 80 GLU CB C 13 28.846 0.20 . . . . . . . 80 GLU CB . 27284 1 865 . 1 1 80 80 GLU CG C 13 37.307 0.07 . . . . . . . 80 GLU CG . 27284 1 866 . 1 1 80 80 GLU N N 15 119.583 0.02 . . . . . . . 80 GLU N . 27284 1 867 . 1 1 81 81 GLY H H 1 7.562 0.01 . . . . . . . 81 GLY H . 27284 1 868 . 1 1 81 81 GLY HA2 H 1 4.031 0.03 . . . . . . . 81 GLY HA2 . 27284 1 869 . 1 1 81 81 GLY HA3 H 1 3.649 0.01 . . . . . . . 81 GLY HA3 . 27284 1 870 . 1 1 81 81 GLY C C 13 173.236 0.00 . . . . . . . 81 GLY C . 27284 1 871 . 1 1 81 81 GLY CA C 13 44.911 0.04 . . . . . . . 81 GLY CA . 27284 1 872 . 1 1 81 81 GLY N N 15 103.555 0.03 . . . . . . . 81 GLY N . 27284 1 873 . 1 1 82 82 HIS H H 1 7.231 0.01 . . . . . . . 82 HIS H . 27284 1 874 . 1 1 82 82 HIS HA H 1 5.175 0.01 . . . . . . . 82 HIS HA . 27284 1 875 . 1 1 82 82 HIS HB2 H 1 3.502 0.01 . . . . . . . 82 HIS HB2 . 27284 1 876 . 1 1 82 82 HIS HB3 H 1 3.224 0.01 . . . . . . . 82 HIS HB3 . 27284 1 877 . 1 1 82 82 HIS HD2 H 1 7.423 0.00 . . . . . . . 82 HIS HD2 . 27284 1 878 . 1 1 82 82 HIS HE1 H 1 5.063 0.00 . . . . . . . 82 HIS HE1 . 27284 1 879 . 1 1 82 82 HIS C C 13 172.699 0.00 . . . . . . . 82 HIS C . 27284 1 880 . 1 1 82 82 HIS CA C 13 55.085 0.08 . . . . . . . 82 HIS CA . 27284 1 881 . 1 1 82 82 HIS CB C 13 29.479 0.08 . . . . . . . 82 HIS CB . 27284 1 882 . 1 1 82 82 HIS CE1 C 13 130.072 0.03 . . . . . . . 82 HIS CE1 . 27284 1 883 . 1 1 82 82 HIS N N 15 116.408 0.03 . . . . . . . 82 HIS N . 27284 1 884 . 1 1 83 83 PRO HA H 1 4.462 0.01 . . . . . . . 83 PRO HA . 27284 1 885 . 1 1 83 83 PRO HB2 H 1 2.039 0.01 . . . . . . . 83 PRO HB2 . 27284 1 886 . 1 1 83 83 PRO HB3 H 1 2.387 0.01 . . . . . . . 83 PRO HB3 . 27284 1 887 . 1 1 83 83 PRO HD2 H 1 3.402 0.00 . . . . . . . 83 PRO HD2 . 27284 1 888 . 1 1 83 83 PRO C C 13 177.891 0.00 . . . . . . . 83 PRO C . 27284 1 889 . 1 1 83 83 PRO CA C 13 65.354 0.06 . . . . . . . 83 PRO CA . 27284 1 890 . 1 1 83 83 PRO CB C 13 31.503 0.05 . . . . . . . 83 PRO CB . 27284 1 891 . 1 1 83 83 PRO CD C 13 43.184 0.00 . . . . . . . 83 PRO CD . 27284 1 892 . 1 1 84 84 GLU H H 1 9.306 0.01 . . . . . . . 84 GLU H . 27284 1 893 . 1 1 84 84 GLU HA H 1 4.146 0.01 . . . . . . . 84 GLU HA . 27284 1 894 . 1 1 84 84 GLU HB2 H 1 2.099 0.01 . . . . . . . 84 GLU HB2 . 27284 1 895 . 1 1 84 84 GLU HB3 H 1 2.230 0.00 . . . . . . . 84 GLU HB3 . 27284 1 896 . 1 1 84 84 GLU HG2 H 1 2.419 0.01 . . . . . . . 84 GLU HG2 . 27284 1 897 . 1 1 84 84 GLU HG3 H 1 3.391 0.00 . . . . . . . 84 GLU HG3 . 27284 1 898 . 1 1 84 84 GLU C C 13 179.357 0.01 . . . . . . . 84 GLU C . 27284 1 899 . 1 1 84 84 GLU CA C 13 59.687 0.08 . . . . . . . 84 GLU CA . 27284 1 900 . 1 1 84 84 GLU CB C 13 28.572 0.09 . . . . . . . 84 GLU CB . 27284 1 901 . 1 1 84 84 GLU CG C 13 36.885 0.12 . . . . . . . 84 GLU CG . 27284 1 902 . 1 1 84 84 GLU N N 15 116.823 0.02 . . . . . . . 84 GLU N . 27284 1 903 . 1 1 85 85 ILE H H 1 7.570 0.01 . . . . . . . 85 ILE H . 27284 1 904 . 1 1 85 85 ILE HA H 1 4.213 0.00 . . . . . . . 85 ILE HA . 27284 1 905 . 1 1 85 85 ILE HB H 1 0.958 0.00 . . . . . . . 85 ILE HB . 27284 1 906 . 1 1 85 85 ILE HG12 H 1 1.337 0.00 . . . . . . . 85 ILE HG1 . 27284 1 907 . 1 1 85 85 ILE HG13 H 1 1.337 0.00 . . . . . . . 85 ILE HG1 . 27284 1 908 . 1 1 85 85 ILE HG21 H 1 2.162 0.01 . . . . . . . 85 ILE HG2 . 27284 1 909 . 1 1 85 85 ILE HG22 H 1 2.162 0.01 . . . . . . . 85 ILE HG2 . 27284 1 910 . 1 1 85 85 ILE HG23 H 1 2.162 0.01 . . . . . . . 85 ILE HG2 . 27284 1 911 . 1 1 85 85 ILE HD11 H 1 0.778 0.00 . . . . . . . 85 ILE HD1 . 27284 1 912 . 1 1 85 85 ILE HD12 H 1 0.778 0.00 . . . . . . . 85 ILE HD1 . 27284 1 913 . 1 1 85 85 ILE HD13 H 1 0.778 0.00 . . . . . . . 85 ILE HD1 . 27284 1 914 . 1 1 85 85 ILE C C 13 177.061 0.03 . . . . . . . 85 ILE C . 27284 1 915 . 1 1 85 85 ILE CA C 13 64.237 0.03 . . . . . . . 85 ILE CA . 27284 1 916 . 1 1 85 85 ILE CB C 13 39.366 0.05 . . . . . . . 85 ILE CB . 27284 1 917 . 1 1 85 85 ILE CD1 C 13 12.513 0.00 . . . . . . . 85 ILE CD1 . 27284 1 918 . 1 1 85 85 ILE N N 15 118.634 0.04 . . . . . . . 85 ILE N . 27284 1 919 . 1 1 86 86 ALA H H 1 8.185 0.01 . . . . . . . 86 ALA H . 27284 1 920 . 1 1 86 86 ALA HA H 1 4.025 0.01 . . . . . . . 86 ALA HA . 27284 1 921 . 1 1 86 86 ALA HB1 H 1 1.597 0.01 . . . . . . . 86 ALA HB . 27284 1 922 . 1 1 86 86 ALA HB2 H 1 1.597 0.01 . . . . . . . 86 ALA HB . 27284 1 923 . 1 1 86 86 ALA HB3 H 1 1.597 0.01 . . . . . . . 86 ALA HB . 27284 1 924 . 1 1 86 86 ALA C C 13 180.227 0.02 . . . . . . . 86 ALA C . 27284 1 925 . 1 1 86 86 ALA CA C 13 55.377 0.08 . . . . . . . 86 ALA CA . 27284 1 926 . 1 1 86 86 ALA CB C 13 20.230 0.07 . . . . . . . 86 ALA CB . 27284 1 927 . 1 1 86 86 ALA N N 15 120.131 0.07 . . . . . . . 86 ALA N . 27284 1 928 . 1 1 87 87 ASN H H 1 8.578 0.00 . . . . . . . 87 ASN H . 27284 1 929 . 1 1 87 87 ASN HA H 1 4.543 0.01 . . . . . . . 87 ASN HA . 27284 1 930 . 1 1 87 87 ASN HB2 H 1 2.958 0.01 . . . . . . . 87 ASN HB2 . 27284 1 931 . 1 1 87 87 ASN HB3 H 1 2.867 0.01 . . . . . . . 87 ASN HB3 . 27284 1 932 . 1 1 87 87 ASN C C 13 176.144 0.02 . . . . . . . 87 ASN C . 27284 1 933 . 1 1 87 87 ASN CA C 13 55.395 0.08 . . . . . . . 87 ASN CA . 27284 1 934 . 1 1 87 87 ASN CB C 13 38.477 0.10 . . . . . . . 87 ASN CB . 27284 1 935 . 1 1 87 87 ASN N N 15 113.595 0.02 . . . . . . . 87 ASN N . 27284 1 936 . 1 1 88 88 GLU H H 1 7.559 0.00 . . . . . . . 88 GLU H . 27284 1 937 . 1 1 88 88 GLU HA H 1 4.259 0.02 . . . . . . . 88 GLU HA . 27284 1 938 . 1 1 88 88 GLU HB2 H 1 2.091 0.03 . . . . . . . 88 GLU HB2 . 27284 1 939 . 1 1 88 88 GLU HB3 H 1 1.854 0.01 . . . . . . . 88 GLU HB3 . 27284 1 940 . 1 1 88 88 GLU HG2 H 1 2.301 0.01 . . . . . . . 88 GLU HG . 27284 1 941 . 1 1 88 88 GLU HG3 H 1 2.301 0.01 . . . . . . . 88 GLU HG . 27284 1 942 . 1 1 88 88 GLU C C 13 176.161 0.02 . . . . . . . 88 GLU C . 27284 1 943 . 1 1 88 88 GLU CA C 13 55.923 0.05 . . . . . . . 88 GLU CA . 27284 1 944 . 1 1 88 88 GLU CB C 13 30.016 0.08 . . . . . . . 88 GLU CB . 27284 1 945 . 1 1 88 88 GLU CG C 13 35.635 0.00 . . . . . . . 88 GLU CG . 27284 1 946 . 1 1 88 88 GLU N N 15 115.440 0.02 . . . . . . . 88 GLU N . 27284 1 947 . 1 1 89 89 MET H H 1 7.625 0.01 . . . . . . . 89 MET H . 27284 1 948 . 1 1 89 89 MET HA H 1 4.872 0.01 . . . . . . . 89 MET HA . 27284 1 949 . 1 1 89 89 MET HB2 H 1 2.690 0.01 . . . . . . . 89 MET HB . 27284 1 950 . 1 1 89 89 MET HB3 H 1 2.690 0.01 . . . . . . . 89 MET HB . 27284 1 951 . 1 1 89 89 MET HG2 H 1 2.832 0.01 . . . . . . . 89 MET HG2 . 27284 1 952 . 1 1 89 89 MET HG3 H 1 2.787 0.01 . . . . . . . 89 MET HG3 . 27284 1 953 . 1 1 89 89 MET C C 13 176.241 0.03 . . . . . . . 89 MET C . 27284 1 954 . 1 1 89 89 MET CA C 13 53.682 0.14 . . . . . . . 89 MET CA . 27284 1 955 . 1 1 89 89 MET CB C 13 33.839 0.03 . . . . . . . 89 MET CB . 27284 1 956 . 1 1 89 89 MET CG C 13 32.446 0.07 . . . . . . . 89 MET CG . 27284 1 957 . 1 1 89 89 MET N N 15 117.191 0.01 . . . . . . . 89 MET N . 27284 1 958 . 1 1 90 90 LYS H H 1 9.562 0.00 . . . . . . . 90 LYS H . 27284 1 959 . 1 1 90 90 LYS HA H 1 4.435 0.01 . . . . . . . 90 LYS HA . 27284 1 960 . 1 1 90 90 LYS HB2 H 1 1.928 0.01 . . . . . . . 90 LYS HB2 . 27284 1 961 . 1 1 90 90 LYS HB3 H 1 1.646 0.01 . . . . . . . 90 LYS HB3 . 27284 1 962 . 1 1 90 90 LYS HG2 H 1 1.462 0.01 . . . . . . . 90 LYS HG2 . 27284 1 963 . 1 1 90 90 LYS HG3 H 1 1.372 0.01 . . . . . . . 90 LYS HG3 . 27284 1 964 . 1 1 90 90 LYS HD2 H 1 1.595 0.00 . . . . . . . 90 LYS HD2 . 27284 1 965 . 1 1 90 90 LYS HD3 H 1 1.610 0.01 . . . . . . . 90 LYS HD3 . 27284 1 966 . 1 1 90 90 LYS HE2 H 1 2.954 0.01 . . . . . . . 90 LYS HE . 27284 1 967 . 1 1 90 90 LYS HE3 H 1 2.954 0.01 . . . . . . . 90 LYS HE . 27284 1 968 . 1 1 90 90 LYS C C 13 175.808 0.01 . . . . . . . 90 LYS C . 27284 1 969 . 1 1 90 90 LYS CA C 13 56.929 0.06 . . . . . . . 90 LYS CA . 27284 1 970 . 1 1 90 90 LYS CB C 13 33.471 0.08 . . . . . . . 90 LYS CB . 27284 1 971 . 1 1 90 90 LYS CG C 13 24.765 0.08 . . . . . . . 90 LYS CG . 27284 1 972 . 1 1 90 90 LYS CD C 13 28.535 0.05 . . . . . . . 90 LYS CD . 27284 1 973 . 1 1 90 90 LYS N N 15 123.073 0.03 . . . . . . . 90 LYS N . 27284 1 974 . 1 1 91 91 ASP H H 1 7.508 0.00 . . . . . . . 91 ASP H . 27284 1 975 . 1 1 91 91 ASP HA H 1 4.288 0.01 . . . . . . . 91 ASP HA . 27284 1 976 . 1 1 91 91 ASP HB2 H 1 2.945 0.01 . . . . . . . 91 ASP HB2 . 27284 1 977 . 1 1 91 91 ASP HB3 H 1 2.801 0.01 . . . . . . . 91 ASP HB3 . 27284 1 978 . 1 1 91 91 ASP C C 13 175.092 0.01 . . . . . . . 91 ASP C . 27284 1 979 . 1 1 91 91 ASP CA C 13 52.582 0.04 . . . . . . . 91 ASP CA . 27284 1 980 . 1 1 91 91 ASP CB C 13 42.597 0.06 . . . . . . . 91 ASP CB . 27284 1 981 . 1 1 91 91 ASP N N 15 115.736 0.02 . . . . . . . 91 ASP N . 27284 1 982 . 1 1 92 92 SER H H 1 9.140 0.00 . . . . . . . 92 SER H . 27284 1 983 . 1 1 92 92 SER HA H 1 3.118 0.01 . . . . . . . 92 SER HA . 27284 1 984 . 1 1 92 92 SER HB2 H 1 3.745 0.00 . . . . . . . 92 SER HB2 . 27284 1 985 . 1 1 92 92 SER HB3 H 1 3.474 0.01 . . . . . . . 92 SER HB3 . 27284 1 986 . 1 1 92 92 SER C C 13 175.718 0.00 . . . . . . . 92 SER C . 27284 1 987 . 1 1 92 92 SER CA C 13 61.333 0.07 . . . . . . . 92 SER CA . 27284 1 988 . 1 1 92 92 SER CB C 13 62.276 0.05 . . . . . . . 92 SER CB . 27284 1 989 . 1 1 92 92 SER N N 15 120.090 0.02 . . . . . . . 92 SER N . 27284 1 990 . 1 1 93 93 PHE H H 1 7.545 0.01 . . . . . . . 93 PHE H . 27284 1 991 . 1 1 93 93 PHE HA H 1 4.379 0.01 . . . . . . . 93 PHE HA . 27284 1 992 . 1 1 93 93 PHE HB2 H 1 3.172 0.01 . . . . . . . 93 PHE HB2 . 27284 1 993 . 1 1 93 93 PHE HB3 H 1 2.776 0.01 . . . . . . . 93 PHE HB3 . 27284 1 994 . 1 1 93 93 PHE HD1 H 1 6.946 0.01 . . . . . . . 93 PHE HD1 . 27284 1 995 . 1 1 93 93 PHE HE1 H 1 6.551 0.00 . . . . . . . 93 PHE HE . 27284 1 996 . 1 1 93 93 PHE HE2 H 1 6.551 0.00 . . . . . . . 93 PHE HE . 27284 1 997 . 1 1 93 93 PHE C C 13 178.755 0.00 . . . . . . . 93 PHE C . 27284 1 998 . 1 1 93 93 PHE CA C 13 58.865 0.04 . . . . . . . 93 PHE CA . 27284 1 999 . 1 1 93 93 PHE CB C 13 36.610 0.11 . . . . . . . 93 PHE CB . 27284 1 1000 . 1 1 93 93 PHE N N 15 124.347 0.03 . . . . . . . 93 PHE N . 27284 1 1001 . 1 1 94 94 ASP H H 1 8.414 0.01 . . . . . . . 94 ASP H . 27284 1 1002 . 1 1 94 94 ASP HA H 1 4.354 0.01 . . . . . . . 94 ASP HA . 27284 1 1003 . 1 1 94 94 ASP HB2 H 1 2.815 0.01 . . . . . . . 94 ASP HB2 . 27284 1 1004 . 1 1 94 94 ASP HB3 H 1 2.738 0.02 . . . . . . . 94 ASP HB3 . 27284 1 1005 . 1 1 94 94 ASP C C 13 178.430 0.00 . . . . . . . 94 ASP C . 27284 1 1006 . 1 1 94 94 ASP CA C 13 57.619 0.05 . . . . . . . 94 ASP CA . 27284 1 1007 . 1 1 94 94 ASP CB C 13 42.582 0.06 . . . . . . . 94 ASP CB . 27284 1 1008 . 1 1 94 94 ASP N N 15 124.519 0.03 . . . . . . . 94 ASP N . 27284 1 1009 . 1 1 95 95 LEU H H 1 7.775 0.01 . . . . . . . 95 LEU H . 27284 1 1010 . 1 1 95 95 LEU HA H 1 4.362 0.02 . . . . . . . 95 LEU HA . 27284 1 1011 . 1 1 95 95 LEU C C 13 180.095 0.01 . . . . . . . 95 LEU C . 27284 1 1012 . 1 1 95 95 LEU CA C 13 60.687 0.06 . . . . . . . 95 LEU CA . 27284 1 1013 . 1 1 95 95 LEU CB C 13 41.340 0.01 . . . . . . . 95 LEU CB . 27284 1 1014 . 1 1 95 95 LEU N N 15 119.315 0.02 . . . . . . . 95 LEU N . 27284 1 1015 . 1 1 96 96 LEU H H 1 8.452 0.01 . . . . . . . 96 LEU H . 27284 1 1016 . 1 1 96 96 LEU HA H 1 3.864 0.01 . . . . . . . 96 LEU HA . 27284 1 1017 . 1 1 96 96 LEU HG H 1 2.278 0.01 . . . . . . . 96 LEU HG . 27284 1 1018 . 1 1 96 96 LEU HD11 H 1 0.895 0.00 . . . . . . . 96 LEU HD1 . 27284 1 1019 . 1 1 96 96 LEU HD12 H 1 0.895 0.00 . . . . . . . 96 LEU HD1 . 27284 1 1020 . 1 1 96 96 LEU HD13 H 1 0.895 0.00 . . . . . . . 96 LEU HD1 . 27284 1 1021 . 1 1 96 96 LEU HD21 H 1 0.689 0.00 . . . . . . . 96 LEU HD2 . 27284 1 1022 . 1 1 96 96 LEU HD22 H 1 0.689 0.00 . . . . . . . 96 LEU HD2 . 27284 1 1023 . 1 1 96 96 LEU HD23 H 1 0.689 0.00 . . . . . . . 96 LEU HD2 . 27284 1 1024 . 1 1 96 96 LEU C C 13 178.689 0.01 . . . . . . . 96 LEU C . 27284 1 1025 . 1 1 96 96 LEU CA C 13 57.854 0.06 . . . . . . . 96 LEU CA . 27284 1 1026 . 1 1 96 96 LEU CB C 13 41.287 0.06 . . . . . . . 96 LEU CB . 27284 1 1027 . 1 1 96 96 LEU CD1 C 13 24.606 0.00 . . . . . . . 96 LEU CD1 . 27284 1 1028 . 1 1 96 96 LEU N N 15 117.851 0.02 . . . . . . . 96 LEU N . 27284 1 1029 . 1 1 97 97 SER H H 1 7.972 0.00 . . . . . . . 97 SER H . 27284 1 1030 . 1 1 97 97 SER HA H 1 4.398 0.01 . . . . . . . 97 SER HA . 27284 1 1031 . 1 1 97 97 SER HB2 H 1 4.065 0.01 . . . . . . . 97 SER HB2 . 27284 1 1032 . 1 1 97 97 SER HB3 H 1 3.908 0.01 . . . . . . . 97 SER HB3 . 27284 1 1033 . 1 1 97 97 SER C C 13 175.120 0.01 . . . . . . . 97 SER C . 27284 1 1034 . 1 1 97 97 SER CA C 13 60.495 0.09 . . . . . . . 97 SER CA . 27284 1 1035 . 1 1 97 97 SER CB C 13 63.383 0.03 . . . . . . . 97 SER CB . 27284 1 1036 . 1 1 97 97 SER N N 15 111.634 0.04 . . . . . . . 97 SER N . 27284 1 1037 . 1 1 98 98 LYS H H 1 7.794 0.01 . . . . . . . 98 LYS H . 27284 1 1038 . 1 1 98 98 LYS HA H 1 4.555 0.01 . . . . . . . 98 LYS HA . 27284 1 1039 . 1 1 98 98 LYS HB2 H 1 1.878 0.02 . . . . . . . 98 LYS HB2 . 27284 1 1040 . 1 1 98 98 LYS HD2 H 1 1.325 0.01 . . . . . . . 98 LYS HD2 . 27284 1 1041 . 1 1 98 98 LYS HD3 H 1 1.557 0.00 . . . . . . . 98 LYS HD3 . 27284 1 1042 . 1 1 98 98 LYS HE2 H 1 2.678 0.00 . . . . . . . 98 LYS HE2 . 27284 1 1043 . 1 1 98 98 LYS HE3 H 1 2.601 0.00 . . . . . . . 98 LYS HE3 . 27284 1 1044 . 1 1 98 98 LYS C C 13 177.699 0.01 . . . . . . . 98 LYS C . 27284 1 1045 . 1 1 98 98 LYS CA C 13 56.142 0.06 . . . . . . . 98 LYS CA . 27284 1 1046 . 1 1 98 98 LYS CB C 13 35.194 0.09 . . . . . . . 98 LYS CB . 27284 1 1047 . 1 1 98 98 LYS CD C 13 28.555 0.12 . . . . . . . 98 LYS CD . 27284 1 1048 . 1 1 98 98 LYS N N 15 121.868 0.03 . . . . . . . 98 LYS N . 27284 1 1049 . 1 1 99 99 ILE H H 1 7.326 0.00 . . . . . . . 99 ILE H . 27284 1 1050 . 1 1 99 99 ILE HA H 1 2.693 0.01 . . . . . . . 99 ILE HA . 27284 1 1051 . 1 1 99 99 ILE HB H 1 1.081 0.01 . . . . . . . 99 ILE HB . 27284 1 1052 . 1 1 99 99 ILE HG12 H 1 0.959 0.00 . . . . . . . 99 ILE HG12 . 27284 1 1053 . 1 1 99 99 ILE HG13 H 1 0.215 0.00 . . . . . . . 99 ILE HG13 . 27284 1 1054 . 1 1 99 99 ILE HG21 H 1 0.410 0.01 . . . . . . . 99 ILE HG2 . 27284 1 1055 . 1 1 99 99 ILE HG22 H 1 0.410 0.01 . . . . . . . 99 ILE HG2 . 27284 1 1056 . 1 1 99 99 ILE HG23 H 1 0.410 0.01 . . . . . . . 99 ILE HG2 . 27284 1 1057 . 1 1 99 99 ILE HD11 H 1 -1.324 0.01 . . . . . . . 99 ILE HD1 . 27284 1 1058 . 1 1 99 99 ILE HD12 H 1 -1.324 0.01 . . . . . . . 99 ILE HD1 . 27284 1 1059 . 1 1 99 99 ILE HD13 H 1 -1.324 0.01 . . . . . . . 99 ILE HD1 . 27284 1 1060 . 1 1 99 99 ILE C C 13 175.168 0.02 . . . . . . . 99 ILE C . 27284 1 1061 . 1 1 99 99 ILE CA C 13 65.745 0.02 . . . . . . . 99 ILE CA . 27284 1 1062 . 1 1 99 99 ILE CB C 13 37.996 0.03 . . . . . . . 99 ILE CB . 27284 1 1063 . 1 1 99 99 ILE CG2 C 13 14.289 0.07 . . . . . . . 99 ILE CG2 . 27284 1 1064 . 1 1 99 99 ILE CD1 C 13 16.907 0.07 . . . . . . . 99 ILE CD1 . 27284 1 1065 . 1 1 99 99 ILE N N 15 124.722 0.03 . . . . . . . 99 ILE N . 27284 1 1066 . 1 1 100 100 ASP H H 1 7.776 0.00 . . . . . . . 100 ASP H . 27284 1 1067 . 1 1 100 100 ASP HA H 1 3.954 0.01 . . . . . . . 100 ASP HA . 27284 1 1068 . 1 1 100 100 ASP HB2 H 1 2.884 0.01 . . . . . . . 100 ASP HB2 . 27284 1 1069 . 1 1 100 100 ASP HB3 H 1 2.468 0.00 . . . . . . . 100 ASP HB3 . 27284 1 1070 . 1 1 100 100 ASP C C 13 177.235 0.01 . . . . . . . 100 ASP C . 27284 1 1071 . 1 1 100 100 ASP CA C 13 56.833 0.05 . . . . . . . 100 ASP CA . 27284 1 1072 . 1 1 100 100 ASP CB C 13 45.849 0.12 . . . . . . . 100 ASP CB . 27284 1 1073 . 1 1 100 100 ASP N N 15 116.018 0.02 . . . . . . . 100 ASP N . 27284 1 1074 . 1 1 101 101 SER H H 1 7.906 0.00 . . . . . . . 101 SER H . 27284 1 1075 . 1 1 101 101 SER HA H 1 4.105 0.01 . . . . . . . 101 SER HA . 27284 1 1076 . 1 1 101 101 SER HB2 H 1 3.849 0.01 . . . . . . . 101 SER HB . 27284 1 1077 . 1 1 101 101 SER HB3 H 1 3.849 0.01 . . . . . . . 101 SER HB . 27284 1 1078 . 1 1 101 101 SER C C 13 174.967 0.02 . . . . . . . 101 SER C . 27284 1 1079 . 1 1 101 101 SER CA C 13 58.972 0.03 . . . . . . . 101 SER CA . 27284 1 1080 . 1 1 101 101 SER CB C 13 63.609 0.04 . . . . . . . 101 SER CB . 27284 1 1081 . 1 1 101 101 SER N N 15 107.647 0.02 . . . . . . . 101 SER N . 27284 1 1082 . 1 1 102 102 PHE H H 1 7.567 0.01 . . . . . . . 102 PHE H . 27284 1 1083 . 1 1 102 102 PHE HA H 1 4.713 0.01 . . . . . . . 102 PHE HA . 27284 1 1084 . 1 1 102 102 PHE HB2 H 1 2.989 0.02 . . . . . . . 102 PHE HB2 . 27284 1 1085 . 1 1 102 102 PHE HB3 H 1 3.131 0.01 . . . . . . . 102 PHE HB3 . 27284 1 1086 . 1 1 102 102 PHE HD1 H 1 7.132 0.01 . . . . . . . 102 PHE HD . 27284 1 1087 . 1 1 102 102 PHE HD2 H 1 7.132 0.01 . . . . . . . 102 PHE HD . 27284 1 1088 . 1 1 102 102 PHE C C 13 174.082 0.01 . . . . . . . 102 PHE C . 27284 1 1089 . 1 1 102 102 PHE CA C 13 60.221 0.07 . . . . . . . 102 PHE CA . 27284 1 1090 . 1 1 102 102 PHE CB C 13 42.078 0.16 . . . . . . . 102 PHE CB . 27284 1 1091 . 1 1 102 102 PHE N N 15 120.363 0.03 . . . . . . . 102 PHE N . 27284 1 1092 . 1 1 103 103 ILE H H 1 8.431 0.01 . . . . . . . 103 ILE H . 27284 1 1093 . 1 1 103 103 ILE HA H 1 2.727 0.01 . . . . . . . 103 ILE HA . 27284 1 1094 . 1 1 103 103 ILE HB H 1 1.599 0.01 . . . . . . . 103 ILE HB . 27284 1 1095 . 1 1 103 103 ILE HG12 H 1 1.103 0.01 . . . . . . . 103 ILE HG12 . 27284 1 1096 . 1 1 103 103 ILE HG13 H 1 1.068 0.01 . . . . . . . 103 ILE HG13 . 27284 1 1097 . 1 1 103 103 ILE HG21 H 1 0.878 0.01 . . . . . . . 103 ILE HG2 . 27284 1 1098 . 1 1 103 103 ILE HG22 H 1 0.878 0.01 . . . . . . . 103 ILE HG2 . 27284 1 1099 . 1 1 103 103 ILE HG23 H 1 0.878 0.01 . . . . . . . 103 ILE HG2 . 27284 1 1100 . 1 1 103 103 ILE HD11 H 1 -0.136 0.00 . . . . . . . 103 ILE HD1 . 27284 1 1101 . 1 1 103 103 ILE HD12 H 1 -0.136 0.00 . . . . . . . 103 ILE HD1 . 27284 1 1102 . 1 1 103 103 ILE HD13 H 1 -0.136 0.00 . . . . . . . 103 ILE HD1 . 27284 1 1103 . 1 1 103 103 ILE C C 13 176.811 0.00 . . . . . . . 103 ILE C . 27284 1 1104 . 1 1 103 103 ILE CA C 13 66.120 0.06 . . . . . . . 103 ILE CA . 27284 1 1105 . 1 1 103 103 ILE CB C 13 36.882 0.03 . . . . . . . 103 ILE CB . 27284 1 1106 . 1 1 103 103 ILE CG1 C 13 13.406 0.05 . . . . . . . 103 ILE CG1 . 27284 1 1107 . 1 1 103 103 ILE CG2 C 13 13.847 0.06 . . . . . . . 103 ILE CG2 . 27284 1 1108 . 1 1 103 103 ILE CD1 C 13 15.630 0.07 . . . . . . . 103 ILE CD1 . 27284 1 1109 . 1 1 103 103 ILE N N 15 120.210 0.02 . . . . . . . 103 ILE N . 27284 1 1110 . 1 1 104 104 HIS H H 1 8.050 0.00 . . . . . . . 104 HIS H . 27284 1 1111 . 1 1 104 104 HIS HA H 1 3.061 0.01 . . . . . . . 104 HIS HA . 27284 1 1112 . 1 1 104 104 HIS HB2 H 1 2.205 0.01 . . . . . . . 104 HIS HB2 . 27284 1 1113 . 1 1 104 104 HIS HB3 H 1 1.789 0.02 . . . . . . . 104 HIS HB3 . 27284 1 1114 . 1 1 104 104 HIS HE1 H 1 7.761 0.01 . . . . . . . 104 HIS HE1 . 27284 1 1115 . 1 1 104 104 HIS C C 13 176.889 0.03 . . . . . . . 104 HIS C . 27284 1 1116 . 1 1 104 104 HIS CA C 13 55.440 0.07 . . . . . . . 104 HIS CA . 27284 1 1117 . 1 1 104 104 HIS CB C 13 27.501 0.08 . . . . . . . 104 HIS CB . 27284 1 1118 . 1 1 104 104 HIS N N 15 112.749 0.02 . . . . . . . 104 HIS N . 27284 1 1119 . 1 1 105 105 VAL H H 1 5.711 0.00 . . . . . . . 105 VAL H . 27284 1 1120 . 1 1 105 105 VAL HA H 1 3.404 0.02 . . . . . . . 105 VAL HA . 27284 1 1121 . 1 1 105 105 VAL HG11 H 1 0.762 0.00 . . . . . . . 105 VAL HG1 . 27284 1 1122 . 1 1 105 105 VAL HG12 H 1 0.762 0.00 . . . . . . . 105 VAL HG1 . 27284 1 1123 . 1 1 105 105 VAL HG13 H 1 0.762 0.00 . . . . . . . 105 VAL HG1 . 27284 1 1124 . 1 1 105 105 VAL C C 13 177.763 0.03 . . . . . . . 105 VAL C . 27284 1 1125 . 1 1 105 105 VAL CA C 13 66.117 0.07 . . . . . . . 105 VAL CA . 27284 1 1126 . 1 1 105 105 VAL CB C 13 32.373 0.02 . . . . . . . 105 VAL CB . 27284 1 1127 . 1 1 105 105 VAL N N 15 120.140 0.03 . . . . . . . 105 VAL N . 27284 1 1128 . 1 1 106 106 GLU H H 1 7.948 0.01 . . . . . . . 106 GLU H . 27284 1 1129 . 1 1 106 106 GLU HA H 1 3.645 0.01 . . . . . . . 106 GLU HA . 27284 1 1130 . 1 1 106 106 GLU HB2 H 1 1.524 0.00 . . . . . . . 106 GLU HB2 . 27284 1 1131 . 1 1 106 106 GLU HB3 H 1 2.644 0.01 . . . . . . . 106 GLU HB3 . 27284 1 1132 . 1 1 106 106 GLU HG2 H 1 1.746 0.00 . . . . . . . 106 GLU HG2 . 27284 1 1133 . 1 1 106 106 GLU HG3 H 1 1.431 0.00 . . . . . . . 106 GLU HG3 . 27284 1 1134 . 1 1 106 106 GLU C C 13 177.782 0.00 . . . . . . . 106 GLU C . 27284 1 1135 . 1 1 106 106 GLU CA C 13 58.656 0.03 . . . . . . . 106 GLU CA . 27284 1 1136 . 1 1 106 106 GLU CB C 13 28.940 0.11 . . . . . . . 106 GLU CB . 27284 1 1137 . 1 1 106 106 GLU N N 15 120.349 0.03 . . . . . . . 106 GLU N . 27284 1 1138 . 1 1 107 107 VAL H H 1 7.837 0.01 . . . . . . . 107 VAL H . 27284 1 1139 . 1 1 107 107 VAL HA H 1 3.621 0.02 . . . . . . . 107 VAL HA . 27284 1 1140 . 1 1 107 107 VAL HB H 1 1.829 0.01 . . . . . . . 107 VAL HB . 27284 1 1141 . 1 1 107 107 VAL C C 13 176.175 0.01 . . . . . . . 107 VAL C . 27284 1 1142 . 1 1 107 107 VAL CA C 13 66.582 0.17 . . . . . . . 107 VAL CA . 27284 1 1143 . 1 1 107 107 VAL CB C 13 31.691 0.15 . . . . . . . 107 VAL CB . 27284 1 1144 . 1 1 107 107 VAL N N 15 119.229 0.03 . . . . . . . 107 VAL N . 27284 1 1145 . 1 1 108 108 TYR H H 1 7.327 0.02 . . . . . . . 108 TYR H . 27284 1 1146 . 1 1 108 108 TYR HA H 1 4.231 0.01 . . . . . . . 108 TYR HA . 27284 1 1147 . 1 1 108 108 TYR HB2 H 1 3.393 0.00 . . . . . . . 108 TYR HB2 . 27284 1 1148 . 1 1 108 108 TYR HB3 H 1 3.499 0.02 . . . . . . . 108 TYR HB3 . 27284 1 1149 . 1 1 108 108 TYR HD1 H 1 6.981 0.00 . . . . . . . 108 TYR HD . 27284 1 1150 . 1 1 108 108 TYR HD2 H 1 6.981 0.00 . . . . . . . 108 TYR HD . 27284 1 1151 . 1 1 108 108 TYR C C 13 176.940 0.02 . . . . . . . 108 TYR C . 27284 1 1152 . 1 1 108 108 TYR CA C 13 58.858 0.07 . . . . . . . 108 TYR CA . 27284 1 1153 . 1 1 108 108 TYR CB C 13 37.821 0.11 . . . . . . . 108 TYR CB . 27284 1 1154 . 1 1 108 108 TYR N N 15 120.901 0.02 . . . . . . . 108 TYR N . 27284 1 1155 . 1 1 109 109 LYS H H 1 7.230 0.01 . . . . . . . 109 LYS H . 27284 1 1156 . 1 1 109 109 LYS HA H 1 3.703 0.01 . . . . . . . 109 LYS HA . 27284 1 1157 . 1 1 109 109 LYS HB2 H 1 1.730 0.01 . . . . . . . 109 LYS HB2 . 27284 1 1158 . 1 1 109 109 LYS HB3 H 1 1.535 0.01 . . . . . . . 109 LYS HB3 . 27284 1 1159 . 1 1 109 109 LYS HG2 H 1 1.404 0.00 . . . . . . . 109 LYS HG2 . 27284 1 1160 . 1 1 109 109 LYS HG3 H 1 1.262 0.01 . . . . . . . 109 LYS HG3 . 27284 1 1161 . 1 1 109 109 LYS HD2 H 1 1.562 0.01 . . . . . . . 109 LYS HD2 . 27284 1 1162 . 1 1 109 109 LYS HD3 H 1 1.429 0.01 . . . . . . . 109 LYS HD3 . 27284 1 1163 . 1 1 109 109 LYS HE2 H 1 2.796 0.01 . . . . . . . 109 LYS HE2 . 27284 1 1164 . 1 1 109 109 LYS HE3 H 1 2.655 0.01 . . . . . . . 109 LYS HE3 . 27284 1 1165 . 1 1 109 109 LYS C C 13 178.793 0.02 . . . . . . . 109 LYS C . 27284 1 1166 . 1 1 109 109 LYS CA C 13 58.890 0.06 . . . . . . . 109 LYS CA . 27284 1 1167 . 1 1 109 109 LYS CB C 13 32.629 0.10 . . . . . . . 109 LYS CB . 27284 1 1168 . 1 1 109 109 LYS CD C 13 29.603 0.10 . . . . . . . 109 LYS CD . 27284 1 1169 . 1 1 109 109 LYS N N 15 115.333 0.02 . . . . . . . 109 LYS N . 27284 1 1170 . 1 1 110 110 LEU H H 1 7.063 0.02 . . . . . . . 110 LEU H . 27284 1 1171 . 1 1 110 110 LEU HA H 1 3.829 0.01 . . . . . . . 110 LEU HA . 27284 1 1172 . 1 1 110 110 LEU HB2 H 1 1.373 0.02 . . . . . . . 110 LEU HB2 . 27284 1 1173 . 1 1 110 110 LEU HB3 H 1 0.531 0.01 . . . . . . . 110 LEU HB3 . 27284 1 1174 . 1 1 110 110 LEU HG H 1 0.971 0.01 . . . . . . . 110 LEU HG . 27284 1 1175 . 1 1 110 110 LEU HD11 H 1 0.961 0.01 . . . . . . . 110 LEU HD1 . 27284 1 1176 . 1 1 110 110 LEU HD12 H 1 0.961 0.01 . . . . . . . 110 LEU HD1 . 27284 1 1177 . 1 1 110 110 LEU HD13 H 1 0.961 0.01 . . . . . . . 110 LEU HD1 . 27284 1 1178 . 1 1 110 110 LEU HD21 H 1 0.777 0.01 . . . . . . . 110 LEU HD2 . 27284 1 1179 . 1 1 110 110 LEU HD22 H 1 0.777 0.01 . . . . . . . 110 LEU HD2 . 27284 1 1180 . 1 1 110 110 LEU HD23 H 1 0.777 0.01 . . . . . . . 110 LEU HD2 . 27284 1 1181 . 1 1 110 110 LEU C C 13 177.372 0.00 . . . . . . . 110 LEU C . 27284 1 1182 . 1 1 110 110 LEU CA C 13 56.711 0.12 . . . . . . . 110 LEU CA . 27284 1 1183 . 1 1 110 110 LEU CB C 13 42.514 0.05 . . . . . . . 110 LEU CB . 27284 1 1184 . 1 1 110 110 LEU N N 15 118.165 0.02 . . . . . . . 110 LEU N . 27284 1 1185 . 1 1 111 111 TYR H H 1 8.329 0.01 . . . . . . . 111 TYR H . 27284 1 1186 . 1 1 111 111 TYR HA H 1 5.190 0.01 . . . . . . . 111 TYR HA . 27284 1 1187 . 1 1 111 111 TYR HB2 H 1 3.054 0.01 . . . . . . . 111 TYR HB2 . 27284 1 1188 . 1 1 111 111 TYR HB3 H 1 2.882 0.02 . . . . . . . 111 TYR HB3 . 27284 1 1189 . 1 1 111 111 TYR HE1 H 1 6.708 0.02 . . . . . . . 111 TYR HE1 . 27284 1 1190 . 1 1 111 111 TYR C C 13 172.396 0.00 . . . . . . . 111 TYR C . 27284 1 1191 . 1 1 111 111 TYR CA C 13 52.837 0.01 . . . . . . . 111 TYR CA . 27284 1 1192 . 1 1 111 111 TYR CB C 13 38.737 0.08 . . . . . . . 111 TYR CB . 27284 1 1193 . 1 1 111 111 TYR CE1 C 13 130.012 0.07 . . . . . . . 111 TYR CE1 . 27284 1 1194 . 1 1 111 111 TYR N N 15 117.867 0.03 . . . . . . . 111 TYR N . 27284 1 1195 . 1 1 112 112 PRO HA H 1 4.081 0.01 . . . . . . . 112 PRO HA . 27284 1 1196 . 1 1 112 112 PRO HB2 H 1 1.840 0.00 . . . . . . . 112 PRO HB2 . 27284 1 1197 . 1 1 112 112 PRO HB3 H 1 2.140 0.01 . . . . . . . 112 PRO HB3 . 27284 1 1198 . 1 1 112 112 PRO HD2 H 1 3.312 0.00 . . . . . . . 112 PRO HD2 . 27284 1 1199 . 1 1 112 112 PRO C C 13 177.146 0.00 . . . . . . . 112 PRO C . 27284 1 1200 . 1 1 112 112 PRO CA C 13 64.183 0.09 . . . . . . . 112 PRO CA . 27284 1 1201 . 1 1 112 112 PRO CB C 13 31.396 0.01 . . . . . . . 112 PRO CB . 27284 1 1202 . 1 1 112 112 PRO CD C 13 47.618 0.00 . . . . . . . 112 PRO CD . 27284 1 1203 . 1 1 113 113 GLN H H 1 9.741 0.01 . . . . . . . 113 GLN H . 27284 1 1204 . 1 1 113 113 GLN HA H 1 4.497 0.02 . . . . . . . 113 GLN HA . 27284 1 1205 . 1 1 113 113 GLN HB2 H 1 2.223 0.01 . . . . . . . 113 GLN HB2 . 27284 1 1206 . 1 1 113 113 GLN HB3 H 1 2.896 0.00 . . . . . . . 113 GLN HB3 . 27284 1 1207 . 1 1 113 113 GLN HG2 H 1 2.257 0.03 . . . . . . . 113 GLN HG2 . 27284 1 1208 . 1 1 113 113 GLN HG3 H 1 2.486 0.01 . . . . . . . 113 GLN HG3 . 27284 1 1209 . 1 1 113 113 GLN C C 13 176.317 0.02 . . . . . . . 113 GLN C . 27284 1 1210 . 1 1 113 113 GLN CA C 13 55.504 0.09 . . . . . . . 113 GLN CA . 27284 1 1211 . 1 1 113 113 GLN CB C 13 28.178 0.13 . . . . . . . 113 GLN CB . 27284 1 1212 . 1 1 113 113 GLN CG C 13 33.886 0.17 . . . . . . . 113 GLN CG . 27284 1 1213 . 1 1 113 113 GLN N N 15 117.268 0.04 . . . . . . . 113 GLN N . 27284 1 1214 . 1 1 114 114 ALA H H 1 8.787 0.00 . . . . . . . 114 ALA H . 27284 1 1215 . 1 1 114 114 ALA HA H 1 4.569 0.01 . . . . . . . 114 ALA HA . 27284 1 1216 . 1 1 114 114 ALA HB1 H 1 1.709 0.02 . . . . . . . 114 ALA HB . 27284 1 1217 . 1 1 114 114 ALA HB2 H 1 1.709 0.02 . . . . . . . 114 ALA HB . 27284 1 1218 . 1 1 114 114 ALA HB3 H 1 1.709 0.02 . . . . . . . 114 ALA HB . 27284 1 1219 . 1 1 114 114 ALA C C 13 177.245 0.03 . . . . . . . 114 ALA C . 27284 1 1220 . 1 1 114 114 ALA CA C 13 53.060 0.05 . . . . . . . 114 ALA CA . 27284 1 1221 . 1 1 114 114 ALA CB C 13 19.823 0.08 . . . . . . . 114 ALA CB . 27284 1 1222 . 1 1 114 114 ALA N N 15 127.911 0.03 . . . . . . . 114 ALA N . 27284 1 1223 . 1 1 115 115 GLU H H 1 10.895 0.01 . . . . . . . 115 GLU H . 27284 1 1224 . 1 1 115 115 GLU HA H 1 4.409 0.02 . . . . . . . 115 GLU HA . 27284 1 1225 . 1 1 115 115 GLU HB2 H 1 2.299 0.02 . . . . . . . 115 GLU HB2 . 27284 1 1226 . 1 1 115 115 GLU HB3 H 1 2.178 0.00 . . . . . . . 115 GLU HB3 . 27284 1 1227 . 1 1 115 115 GLU C C 13 174.177 0.00 . . . . . . . 115 GLU C . 27284 1 1228 . 1 1 115 115 GLU CA C 13 55.997 0.10 . . . . . . . 115 GLU CA . 27284 1 1229 . 1 1 115 115 GLU CB C 13 29.992 0.08 . . . . . . . 115 GLU CB . 27284 1 1230 . 1 1 115 115 GLU N N 15 127.264 0.04 . . . . . . . 115 GLU N . 27284 1 1231 . 1 1 116 116 LEU H H 1 7.770 0.00 . . . . . . . 116 LEU H . 27284 1 1232 . 1 1 116 116 LEU HA H 1 4.227 0.01 . . . . . . . 116 LEU HA . 27284 1 1233 . 1 1 116 116 LEU HB2 H 1 2.914 0.01 . . . . . . . 116 LEU HB2 . 27284 1 1234 . 1 1 116 116 LEU HG H 1 -0.044 0.01 . . . . . . . 116 LEU HG . 27284 1 1235 . 1 1 116 116 LEU HD11 H 1 -1.179 0.00 . . . . . . . 116 LEU HD1 . 27284 1 1236 . 1 1 116 116 LEU HD12 H 1 -1.179 0.00 . . . . . . . 116 LEU HD1 . 27284 1 1237 . 1 1 116 116 LEU HD13 H 1 -1.179 0.00 . . . . . . . 116 LEU HD1 . 27284 1 1238 . 1 1 116 116 LEU HD21 H 1 0.851 0.01 . . . . . . . 116 LEU HD2 . 27284 1 1239 . 1 1 116 116 LEU HD22 H 1 0.851 0.01 . . . . . . . 116 LEU HD2 . 27284 1 1240 . 1 1 116 116 LEU HD23 H 1 0.851 0.01 . . . . . . . 116 LEU HD2 . 27284 1 1241 . 1 1 116 116 LEU C C 13 174.586 0.00 . . . . . . . 116 LEU C . 27284 1 1242 . 1 1 116 116 LEU CA C 13 50.876 0.04 . . . . . . . 116 LEU CA . 27284 1 1243 . 1 1 116 116 LEU CB C 13 41.824 0.00 . . . . . . . 116 LEU CB . 27284 1 1244 . 1 1 116 116 LEU CG C 13 25.697 0.00 . . . . . . . 116 LEU CG . 27284 1 1245 . 1 1 116 116 LEU CD1 C 13 21.621 0.12 . . . . . . . 116 LEU CD1 . 27284 1 1246 . 1 1 116 116 LEU N N 15 122.663 0.02 . . . . . . . 116 LEU N . 27284 1 1247 . 1 1 117 117 PRO HA H 1 4.391 0.01 . . . . . . . 117 PRO HA . 27284 1 1248 . 1 1 117 117 PRO C C 13 174.205 0.00 . . . . . . . 117 PRO C . 27284 1 1249 . 1 1 117 117 PRO CA C 13 61.815 0.07 . . . . . . . 117 PRO CA . 27284 1 1250 . 1 1 117 117 PRO CB C 13 30.338 0.02 . . . . . . . 117 PRO CB . 27284 1 1251 . 1 1 118 118 LYS H H 1 8.241 0.00 . . . . . . . 118 LYS H . 27284 1 1252 . 1 1 118 118 LYS HA H 1 4.366 0.01 . . . . . . . 118 LYS HA . 27284 1 1253 . 1 1 118 118 LYS HB2 H 1 1.337 0.01 . . . . . . . 118 LYS HB2 . 27284 1 1254 . 1 1 118 118 LYS HB3 H 1 1.533 0.01 . . . . . . . 118 LYS HB3 . 27284 1 1255 . 1 1 118 118 LYS HG2 H 1 1.091 0.00 . . . . . . . 118 LYS HG . 27284 1 1256 . 1 1 118 118 LYS HG3 H 1 1.091 0.00 . . . . . . . 118 LYS HG . 27284 1 1257 . 1 1 118 118 LYS HE2 H 1 2.687 0.00 . . . . . . . 118 LYS HE2 . 27284 1 1258 . 1 1 118 118 LYS HE3 H 1 2.613 0.01 . . . . . . . 118 LYS HE3 . 27284 1 1259 . 1 1 118 118 LYS C C 13 173.957 0.00 . . . . . . . 118 LYS C . 27284 1 1260 . 1 1 118 118 LYS CA C 13 54.594 0.06 . . . . . . . 118 LYS CA . 27284 1 1261 . 1 1 118 118 LYS CB C 13 34.506 0.11 . . . . . . . 118 LYS CB . 27284 1 1262 . 1 1 118 118 LYS N N 15 121.475 0.03 . . . . . . . 118 LYS N . 27284 1 1263 . 1 1 119 119 PHE H H 1 7.884 0.01 . . . . . . . 119 PHE H . 27284 1 1264 . 1 1 119 119 PHE HA H 1 5.706 0.01 . . . . . . . 119 PHE HA . 27284 1 1265 . 1 1 119 119 PHE HB2 H 1 2.848 0.01 . . . . . . . 119 PHE HB2 . 27284 1 1266 . 1 1 119 119 PHE HB3 H 1 2.416 0.01 . . . . . . . 119 PHE HB3 . 27284 1 1267 . 1 1 119 119 PHE C C 13 176.137 0.03 . . . . . . . 119 PHE C . 27284 1 1268 . 1 1 119 119 PHE CA C 13 56.761 0.06 . . . . . . . 119 PHE CA . 27284 1 1269 . 1 1 119 119 PHE CB C 13 44.695 0.08 . . . . . . . 119 PHE CB . 27284 1 1270 . 1 1 119 119 PHE N N 15 121.647 0.05 . . . . . . . 119 PHE N . 27284 1 1271 . 1 1 120 120 THR H H 1 8.275 0.01 . . . . . . . 120 THR H . 27284 1 1272 . 1 1 120 120 THR HA H 1 4.838 0.01 . . . . . . . 120 THR HA . 27284 1 1273 . 1 1 120 120 THR HB H 1 4.646 0.00 . . . . . . . 120 THR HB . 27284 1 1274 . 1 1 120 120 THR HG21 H 1 0.865 0.00 . . . . . . . 120 THR HG2 . 27284 1 1275 . 1 1 120 120 THR HG22 H 1 0.865 0.00 . . . . . . . 120 THR HG2 . 27284 1 1276 . 1 1 120 120 THR HG23 H 1 0.865 0.00 . . . . . . . 120 THR HG2 . 27284 1 1277 . 1 1 120 120 THR C C 13 180.604 0.00 . . . . . . . 120 THR C . 27284 1 1278 . 1 1 120 120 THR CA C 13 61.877 0.06 . . . . . . . 120 THR CA . 27284 1 1279 . 1 1 120 120 THR CB C 13 70.717 0.05 . . . . . . . 120 THR CB . 27284 1 1280 . 1 1 120 120 THR N N 15 113.588 0.04 . . . . . . . 120 THR N . 27284 1 1281 . 1 1 121 121 CYS HA H 1 5.234 0.01 . . . . . . . 121 CYS HA . 27284 1 1282 . 1 1 121 121 CYS HB2 H 1 2.909 0.02 . . . . . . . 121 CYS HB2 . 27284 1 1283 . 1 1 121 121 CYS HB3 H 1 2.472 0.01 . . . . . . . 121 CYS HB3 . 27284 1 1284 . 1 1 121 121 CYS C C 13 172.596 0.00 . . . . . . . 121 CYS C . 27284 1 1285 . 1 1 121 121 CYS CA C 13 57.356 0.07 . . . . . . . 121 CYS CA . 27284 1 1286 . 1 1 121 121 CYS CB C 13 29.099 0.09 . . . . . . . 121 CYS CB . 27284 1 1287 . 1 1 122 122 ASP H H 1 9.152 0.01 . . . . . . . 122 ASP H . 27284 1 1288 . 1 1 122 122 ASP HA H 1 4.968 0.01 . . . . . . . 122 ASP HA . 27284 1 1289 . 1 1 122 122 ASP HB2 H 1 2.554 0.02 . . . . . . . 122 ASP HB2 . 27284 1 1290 . 1 1 122 122 ASP HB3 H 1 2.492 0.01 . . . . . . . 122 ASP HB3 . 27284 1 1291 . 1 1 122 122 ASP C C 13 174.080 0.02 . . . . . . . 122 ASP C . 27284 1 1292 . 1 1 122 122 ASP CA C 13 53.183 0.07 . . . . . . . 122 ASP CA . 27284 1 1293 . 1 1 122 122 ASP CB C 13 43.709 0.06 . . . . . . . 122 ASP CB . 27284 1 1294 . 1 1 122 122 ASP N N 15 128.657 0.03 . . . . . . . 122 ASP N . 27284 1 1295 . 1 1 123 123 ARG H H 1 9.063 0.00 . . . . . . . 123 ARG H . 27284 1 1296 . 1 1 123 123 ARG HA H 1 4.438 0.01 . . . . . . . 123 ARG HA . 27284 1 1297 . 1 1 123 123 ARG HB2 H 1 2.103 0.02 . . . . . . . 123 ARG HB2 . 27284 1 1298 . 1 1 123 123 ARG HB3 H 1 1.605 0.00 . . . . . . . 123 ARG HB3 . 27284 1 1299 . 1 1 123 123 ARG C C 13 175.188 0.03 . . . . . . . 123 ARG C . 27284 1 1300 . 1 1 123 123 ARG CA C 13 55.678 0.08 . . . . . . . 123 ARG CA . 27284 1 1301 . 1 1 123 123 ARG CB C 13 30.194 0.10 . . . . . . . 123 ARG CB . 27284 1 1302 . 1 1 123 123 ARG N N 15 125.905 0.02 . . . . . . . 123 ARG N . 27284 1 1303 . 1 1 124 124 LEU H H 1 8.023 0.02 . . . . . . . 124 LEU H . 27284 1 1304 . 1 1 124 124 LEU HA H 1 4.373 0.01 . . . . . . . 124 LEU HA . 27284 1 1305 . 1 1 124 124 LEU HB2 H 1 1.571 0.01 . . . . . . . 124 LEU HB2 . 27284 1 1306 . 1 1 124 124 LEU HB3 H 1 1.353 0.02 . . . . . . . 124 LEU HB3 . 27284 1 1307 . 1 1 124 124 LEU HG H 1 1.500 0.03 . . . . . . . 124 LEU HG . 27284 1 1308 . 1 1 124 124 LEU HD11 H 1 0.760 0.01 . . . . . . . 124 LEU HD1 . 27284 1 1309 . 1 1 124 124 LEU HD12 H 1 0.760 0.01 . . . . . . . 124 LEU HD1 . 27284 1 1310 . 1 1 124 124 LEU HD13 H 1 0.760 0.01 . . . . . . . 124 LEU HD1 . 27284 1 1311 . 1 1 124 124 LEU HD21 H 1 0.694 0.02 . . . . . . . 124 LEU HD2 . 27284 1 1312 . 1 1 124 124 LEU HD22 H 1 0.694 0.02 . . . . . . . 124 LEU HD2 . 27284 1 1313 . 1 1 124 124 LEU HD23 H 1 0.694 0.02 . . . . . . . 124 LEU HD2 . 27284 1 1314 . 1 1 124 124 LEU C C 13 176.855 0.01 . . . . . . . 124 LEU C . 27284 1 1315 . 1 1 124 124 LEU CA C 13 55.346 0.11 . . . . . . . 124 LEU CA . 27284 1 1316 . 1 1 124 124 LEU CB C 13 42.158 0.09 . . . . . . . 124 LEU CB . 27284 1 1317 . 1 1 124 124 LEU CG C 13 27.378 0.11 . . . . . . . 124 LEU CG . 27284 1 1318 . 1 1 124 124 LEU CD1 C 13 22.574 0.12 . . . . . . . 124 LEU CD1 . 27284 1 1319 . 1 1 124 124 LEU CD2 C 13 22.724 0.01 . . . . . . . 124 LEU CD2 . 27284 1 1320 . 1 1 124 124 LEU N N 15 129.501 0.04 . . . . . . . 124 LEU N . 27284 1 1321 . 1 1 125 125 GLY H H 1 8.152 0.00 . . . . . . . 125 GLY H . 27284 1 1322 . 1 1 125 125 GLY HA2 H 1 4.141 0.00 . . . . . . . 125 GLY HA2 . 27284 1 1323 . 1 1 125 125 GLY HA3 H 1 4.244 0.00 . . . . . . . 125 GLY HA3 . 27284 1 1324 . 1 1 125 125 GLY C C 13 173.911 0.00 . . . . . . . 125 GLY C . 27284 1 1325 . 1 1 125 125 GLY CA C 13 44.900 0.14 . . . . . . . 125 GLY CA . 27284 1 1326 . 1 1 125 125 GLY N N 15 106.655 0.03 . . . . . . . 125 GLY N . 27284 1 1327 . 1 1 126 126 ASP H H 1 8.293 0.00 . . . . . . . 126 ASP H . 27284 1 1328 . 1 1 126 126 ASP HA H 1 4.348 0.01 . . . . . . . 126 ASP HA . 27284 1 1329 . 1 1 126 126 ASP HB2 H 1 2.573 0.01 . . . . . . . 126 ASP HB2 . 27284 1 1330 . 1 1 126 126 ASP HB3 H 1 2.462 0.02 . . . . . . . 126 ASP HB3 . 27284 1 1331 . 1 1 126 126 ASP C C 13 177.496 0.03 . . . . . . . 126 ASP C . 27284 1 1332 . 1 1 126 126 ASP CA C 13 57.627 0.75 . . . . . . . 126 ASP CA . 27284 1 1333 . 1 1 126 126 ASP CB C 13 40.922 0.04 . . . . . . . 126 ASP CB . 27284 1 1334 . 1 1 126 126 ASP N N 15 121.991 0.01 . . . . . . . 126 ASP N . 27284 1 1335 . 1 1 127 127 ASN H H 1 9.142 0.02 . . . . . . . 127 ASN H . 27284 1 1336 . 1 1 127 127 ASN HA H 1 4.832 0.02 . . . . . . . 127 ASN HA . 27284 1 1337 . 1 1 127 127 ASN HB2 H 1 3.524 0.00 . . . . . . . 127 ASN HB2 . 27284 1 1338 . 1 1 127 127 ASN HB3 H 1 2.552 0.02 . . . . . . . 127 ASN HB3 . 27284 1 1339 . 1 1 127 127 ASN HD21 H 1 6.544 0.00 . . . . . . . 127 ASN HD2 . 27284 1 1340 . 1 1 127 127 ASN HD22 H 1 6.544 0.00 . . . . . . . 127 ASN HD2 . 27284 1 1341 . 1 1 127 127 ASN C C 13 173.182 0.02 . . . . . . . 127 ASN C . 27284 1 1342 . 1 1 127 127 ASN CA C 13 52.607 0.07 . . . . . . . 127 ASN CA . 27284 1 1343 . 1 1 127 127 ASN CB C 13 40.452 0.12 . . . . . . . 127 ASN CB . 27284 1 1344 . 1 1 127 127 ASN N N 15 112.694 0.02 . . . . . . . 127 ASN N . 27284 1 1345 . 1 1 128 128 ASP H H 1 7.002 0.02 . . . . . . . 128 ASP H . 27284 1 1346 . 1 1 128 128 ASP HA H 1 5.926 0.01 . . . . . . . 128 ASP HA . 27284 1 1347 . 1 1 128 128 ASP HB2 H 1 2.453 0.01 . . . . . . . 128 ASP HB2 . 27284 1 1348 . 1 1 128 128 ASP HB3 H 1 2.282 0.01 . . . . . . . 128 ASP HB3 . 27284 1 1349 . 1 1 128 128 ASP C C 13 173.582 0.02 . . . . . . . 128 ASP C . 27284 1 1350 . 1 1 128 128 ASP CA C 13 53.768 0.06 . . . . . . . 128 ASP CA . 27284 1 1351 . 1 1 128 128 ASP CB C 13 45.724 0.07 . . . . . . . 128 ASP CB . 27284 1 1352 . 1 1 128 128 ASP N N 15 117.952 0.02 . . . . . . . 128 ASP N . 27284 1 1353 . 1 1 129 129 ILE H H 1 9.330 0.02 . . . . . . . 129 ILE H . 27284 1 1354 . 1 1 129 129 ILE HA H 1 4.650 0.01 . . . . . . . 129 ILE HA . 27284 1 1355 . 1 1 129 129 ILE HB H 1 0.875 0.01 . . . . . . . 129 ILE HB . 27284 1 1356 . 1 1 129 129 ILE HG12 H 1 1.168 0.01 . . . . . . . 129 ILE HG12 . 27284 1 1357 . 1 1 129 129 ILE HG13 H 1 0.633 0.01 . . . . . . . 129 ILE HG13 . 27284 1 1358 . 1 1 129 129 ILE HG21 H 1 0.274 0.01 . . . . . . . 129 ILE HG2 . 27284 1 1359 . 1 1 129 129 ILE HG22 H 1 0.274 0.01 . . . . . . . 129 ILE HG2 . 27284 1 1360 . 1 1 129 129 ILE HG23 H 1 0.274 0.01 . . . . . . . 129 ILE HG2 . 27284 1 1361 . 1 1 129 129 ILE HD11 H 1 -0.057 0.00 . . . . . . . 129 ILE HD1 . 27284 1 1362 . 1 1 129 129 ILE HD12 H 1 -0.057 0.00 . . . . . . . 129 ILE HD1 . 27284 1 1363 . 1 1 129 129 ILE HD13 H 1 -0.057 0.00 . . . . . . . 129 ILE HD1 . 27284 1 1364 . 1 1 129 129 ILE C C 13 172.200 0.02 . . . . . . . 129 ILE C . 27284 1 1365 . 1 1 129 129 ILE CA C 13 60.063 0.03 . . . . . . . 129 ILE CA . 27284 1 1366 . 1 1 129 129 ILE CB C 13 43.926 0.06 . . . . . . . 129 ILE CB . 27284 1 1367 . 1 1 129 129 ILE CG1 C 13 30.322 0.07 . . . . . . . 129 ILE CG1 . 27284 1 1368 . 1 1 129 129 ILE CG2 C 13 18.168 0.03 . . . . . . . 129 ILE CG2 . 27284 1 1369 . 1 1 129 129 ILE CD1 C 13 14.369 0.05 . . . . . . . 129 ILE CD1 . 27284 1 1370 . 1 1 129 129 ILE N N 15 124.786 0.02 . . . . . . . 129 ILE N . 27284 1 1371 . 1 1 130 130 ARG H H 1 8.775 0.02 . . . . . . . 130 ARG H . 27284 1 1372 . 1 1 130 130 ARG HA H 1 5.418 0.01 . . . . . . . 130 ARG HA . 27284 1 1373 . 1 1 130 130 ARG HB2 H 1 1.798 0.01 . . . . . . . 130 ARG HB2 . 27284 1 1374 . 1 1 130 130 ARG HB3 H 1 1.751 0.01 . . . . . . . 130 ARG HB3 . 27284 1 1375 . 1 1 130 130 ARG HG2 H 1 1.395 0.00 . . . . . . . 130 ARG HG2 . 27284 1 1376 . 1 1 130 130 ARG HG3 H 1 1.507 0.01 . . . . . . . 130 ARG HG3 . 27284 1 1377 . 1 1 130 130 ARG HD2 H 1 3.137 0.00 . . . . . . . 130 ARG HD . 27284 1 1378 . 1 1 130 130 ARG HD3 H 1 3.137 0.00 . . . . . . . 130 ARG HD . 27284 1 1379 . 1 1 130 130 ARG C C 13 174.773 0.01 . . . . . . . 130 ARG C . 27284 1 1380 . 1 1 130 130 ARG CA C 13 54.626 0.05 . . . . . . . 130 ARG CA . 27284 1 1381 . 1 1 130 130 ARG CB C 13 33.582 0.04 . . . . . . . 130 ARG CB . 27284 1 1382 . 1 1 130 130 ARG CD C 13 43.796 0.10 . . . . . . . 130 ARG CD . 27284 1 1383 . 1 1 130 130 ARG N N 15 128.124 0.04 . . . . . . . 130 ARG N . 27284 1 1384 . 1 1 131 131 LEU H H 1 9.534 0.02 . . . . . . . 131 LEU H . 27284 1 1385 . 1 1 131 131 LEU HA H 1 5.419 0.01 . . . . . . . 131 LEU HA . 27284 1 1386 . 1 1 131 131 LEU HB2 H 1 2.106 0.01 . . . . . . . 131 LEU HB2 . 27284 1 1387 . 1 1 131 131 LEU HB3 H 1 1.560 0.01 . . . . . . . 131 LEU HB3 . 27284 1 1388 . 1 1 131 131 LEU HG H 1 1.726 0.02 . . . . . . . 131 LEU HG . 27284 1 1389 . 1 1 131 131 LEU HD11 H 1 1.161 0.00 . . . . . . . 131 LEU HD1 . 27284 1 1390 . 1 1 131 131 LEU HD12 H 1 1.161 0.00 . . . . . . . 131 LEU HD1 . 27284 1 1391 . 1 1 131 131 LEU HD13 H 1 1.161 0.00 . . . . . . . 131 LEU HD1 . 27284 1 1392 . 1 1 131 131 LEU HD21 H 1 0.838 0.01 . . . . . . . 131 LEU HD2 . 27284 1 1393 . 1 1 131 131 LEU HD22 H 1 0.838 0.01 . . . . . . . 131 LEU HD2 . 27284 1 1394 . 1 1 131 131 LEU HD23 H 1 0.838 0.01 . . . . . . . 131 LEU HD2 . 27284 1 1395 . 1 1 131 131 LEU C C 13 174.082 0.03 . . . . . . . 131 LEU C . 27284 1 1396 . 1 1 131 131 LEU CA C 13 53.055 0.08 . . . . . . . 131 LEU CA . 27284 1 1397 . 1 1 131 131 LEU CB C 13 47.053 0.07 . . . . . . . 131 LEU CB . 27284 1 1398 . 1 1 131 131 LEU CG C 13 17.966 0.01 . . . . . . . 131 LEU CG . 27284 1 1399 . 1 1 131 131 LEU N N 15 128.531 0.02 . . . . . . . 131 LEU N . 27284 1 1400 . 1 1 132 132 HIS H H 1 9.500 0.01 . . . . . . . 132 HIS H . 27284 1 1401 . 1 1 132 132 HIS HA H 1 5.534 0.01 . . . . . . . 132 HIS HA . 27284 1 1402 . 1 1 132 132 HIS HB2 H 1 2.828 0.01 . . . . . . . 132 HIS HB2 . 27284 1 1403 . 1 1 132 132 HIS HB3 H 1 3.466 0.01 . . . . . . . 132 HIS HB3 . 27284 1 1404 . 1 1 132 132 HIS HD2 H 1 7.114 0.01 . . . . . . . 132 HIS HD2 . 27284 1 1405 . 1 1 132 132 HIS C C 13 174.163 0.06 . . . . . . . 132 HIS C . 27284 1 1406 . 1 1 132 132 HIS CA C 13 53.080 0.08 . . . . . . . 132 HIS CA . 27284 1 1407 . 1 1 132 132 HIS CB C 13 31.936 0.13 . . . . . . . 132 HIS CB . 27284 1 1408 . 1 1 132 132 HIS N N 15 126.133 0.05 . . . . . . . 132 HIS N . 27284 1 1409 . 1 1 133 133 TYR H H 1 9.870 0.01 . . . . . . . 133 TYR H . 27284 1 1410 . 1 1 133 133 TYR HA H 1 4.260 0.01 . . . . . . . 133 TYR HA . 27284 1 1411 . 1 1 133 133 TYR HB2 H 1 3.229 0.01 . . . . . . . 133 TYR HB2 . 27284 1 1412 . 1 1 133 133 TYR HB3 H 1 3.013 0.02 . . . . . . . 133 TYR HB3 . 27284 1 1413 . 1 1 133 133 TYR HD1 H 1 6.987 0.00 . . . . . . . 133 TYR HD . 27284 1 1414 . 1 1 133 133 TYR HD2 H 1 6.987 0.00 . . . . . . . 133 TYR HD . 27284 1 1415 . 1 1 133 133 TYR HE1 H 1 6.618 0.01 . . . . . . . 133 TYR HE . 27284 1 1416 . 1 1 133 133 TYR HE2 H 1 6.618 0.01 . . . . . . . 133 TYR HE . 27284 1 1417 . 1 1 133 133 TYR C C 13 172.740 0.03 . . . . . . . 133 TYR C . 27284 1 1418 . 1 1 133 133 TYR CA C 13 56.792 0.19 . . . . . . . 133 TYR CA . 27284 1 1419 . 1 1 133 133 TYR CB C 13 41.371 0.04 . . . . . . . 133 TYR CB . 27284 1 1420 . 1 1 133 133 TYR N N 15 131.679 0.03 . . . . . . . 133 TYR N . 27284 1 1421 . 1 1 134 134 GLN H H 1 8.014 0.01 . . . . . . . 134 GLN H . 27284 1 1422 . 1 1 134 134 GLN HA H 1 4.737 0.02 . . . . . . . 134 GLN HA . 27284 1 1423 . 1 1 134 134 GLN HB2 H 1 1.331 0.02 . . . . . . . 134 GLN HB2 . 27284 1 1424 . 1 1 134 134 GLN HB3 H 1 1.562 0.01 . . . . . . . 134 GLN HB3 . 27284 1 1425 . 1 1 134 134 GLN HG2 H 1 1.878 0.01 . . . . . . . 134 GLN HG2 . 27284 1 1426 . 1 1 134 134 GLN C C 13 174.342 0.01 . . . . . . . 134 GLN C . 27284 1 1427 . 1 1 134 134 GLN CA C 13 54.437 0.14 . . . . . . . 134 GLN CA . 27284 1 1428 . 1 1 134 134 GLN CB C 13 33.812 0.16 . . . . . . . 134 GLN CB . 27284 1 1429 . 1 1 134 134 GLN CG C 13 35.268 0.03 . . . . . . . 134 GLN CG . 27284 1 1430 . 1 1 134 134 GLN N N 15 124.774 0.05 . . . . . . . 134 GLN N . 27284 1 1431 . 1 1 135 135 SER H H 1 8.744 0.00 . . . . . . . 135 SER H . 27284 1 1432 . 1 1 135 135 SER HA H 1 4.373 0.01 . . . . . . . 135 SER HA . 27284 1 1433 . 1 1 135 135 SER HB2 H 1 3.548 0.00 . . . . . . . 135 SER HB . 27284 1 1434 . 1 1 135 135 SER HB3 H 1 3.548 0.00 . . . . . . . 135 SER HB . 27284 1 1435 . 1 1 135 135 SER C C 13 174.026 0.03 . . . . . . . 135 SER C . 27284 1 1436 . 1 1 135 135 SER CA C 13 56.287 0.04 . . . . . . . 135 SER CA . 27284 1 1437 . 1 1 135 135 SER CB C 13 64.037 0.10 . . . . . . . 135 SER CB . 27284 1 1438 . 1 1 135 135 SER N N 15 118.113 0.02 . . . . . . . 135 SER N . 27284 1 1439 . 1 1 136 136 LYS H H 1 7.689 0.00 . . . . . . . 136 LYS H . 27284 1 1440 . 1 1 136 136 LYS HA H 1 4.280 0.01 . . . . . . . 136 LYS HA . 27284 1 1441 . 1 1 136 136 LYS HB2 H 1 1.813 0.01 . . . . . . . 136 LYS HB2 . 27284 1 1442 . 1 1 136 136 LYS HB3 H 1 1.646 0.01 . . . . . . . 136 LYS HB3 . 27284 1 1443 . 1 1 136 136 LYS HG2 H 1 1.420 0.00 . . . . . . . 136 LYS HG . 27284 1 1444 . 1 1 136 136 LYS HG3 H 1 1.420 0.00 . . . . . . . 136 LYS HG . 27284 1 1445 . 1 1 136 136 LYS HD2 H 1 1.425 0.00 . . . . . . . 136 LYS HD . 27284 1 1446 . 1 1 136 136 LYS HD3 H 1 1.425 0.00 . . . . . . . 136 LYS HD . 27284 1 1447 . 1 1 136 136 LYS C C 13 177.229 0.01 . . . . . . . 136 LYS C . 27284 1 1448 . 1 1 136 136 LYS CA C 13 56.721 0.04 . . . . . . . 136 LYS CA . 27284 1 1449 . 1 1 136 136 LYS CB C 13 33.063 0.10 . . . . . . . 136 LYS CB . 27284 1 1450 . 1 1 136 136 LYS CG C 13 24.919 0.09 . . . . . . . 136 LYS CG . 27284 1 1451 . 1 1 136 136 LYS CE C 13 47.099 0.00 . . . . . . . 136 LYS CE . 27284 1 1452 . 1 1 136 136 LYS N N 15 120.721 0.04 . . . . . . . 136 LYS N . 27284 1 1453 . 1 1 137 137 ARG H H 1 8.996 0.01 . . . . . . . 137 ARG H . 27284 1 1454 . 1 1 137 137 ARG C C 13 173.610 0.00 . . . . . . . 137 ARG C . 27284 1 1455 . 1 1 137 137 ARG CA C 13 52.267 0.01 . . . . . . . 137 ARG CA . 27284 1 1456 . 1 1 137 137 ARG CB C 13 31.634 0.00 . . . . . . . 137 ARG CB . 27284 1 1457 . 1 1 137 137 ARG N N 15 121.925 0.03 . . . . . . . 137 ARG N . 27284 1 1458 . 1 1 138 138 PRO HA H 1 4.866 0.01 . . . . . . . 138 PRO HA . 27284 1 1459 . 1 1 138 138 PRO C C 13 175.748 0.00 . . . . . . . 138 PRO C . 27284 1 1460 . 1 1 138 138 PRO CA C 13 61.570 0.04 . . . . . . . 138 PRO CA . 27284 1 1461 . 1 1 138 138 PRO CB C 13 28.390 0.03 . . . . . . . 138 PRO CB . 27284 1 1462 . 1 1 139 139 PHE H H 1 8.816 0.01 . . . . . . . 139 PHE H . 27284 1 1463 . 1 1 139 139 PHE HA H 1 5.371 0.01 . . . . . . . 139 PHE HA . 27284 1 1464 . 1 1 139 139 PHE HB2 H 1 4.374 0.02 . . . . . . . 139 PHE HB2 . 27284 1 1465 . 1 1 139 139 PHE HB3 H 1 3.623 0.01 . . . . . . . 139 PHE HB3 . 27284 1 1466 . 1 1 139 139 PHE HD1 H 1 7.117 0.01 . . . . . . . 139 PHE HD . 27284 1 1467 . 1 1 139 139 PHE HD2 H 1 7.117 0.01 . . . . . . . 139 PHE HD . 27284 1 1468 . 1 1 139 139 PHE HE1 H 1 6.645 0.03 . . . . . . . 139 PHE HE . 27284 1 1469 . 1 1 139 139 PHE HE2 H 1 6.645 0.03 . . . . . . . 139 PHE HE . 27284 1 1470 . 1 1 139 139 PHE C C 13 177.396 0.01 . . . . . . . 139 PHE C . 27284 1 1471 . 1 1 139 139 PHE CA C 13 57.651 0.09 . . . . . . . 139 PHE CA . 27284 1 1472 . 1 1 139 139 PHE CB C 13 40.159 0.05 . . . . . . . 139 PHE CB . 27284 1 1473 . 1 1 139 139 PHE N N 15 121.365 0.02 . . . . . . . 139 PHE N . 27284 1 1474 . 1 1 140 140 ALA H H 1 9.087 0.01 . . . . . . . 140 ALA H . 27284 1 1475 . 1 1 140 140 ALA HA H 1 3.451 0.01 . . . . . . . 140 ALA HA . 27284 1 1476 . 1 1 140 140 ALA HB1 H 1 1.483 0.01 . . . . . . . 140 ALA HB . 27284 1 1477 . 1 1 140 140 ALA HB2 H 1 1.483 0.01 . . . . . . . 140 ALA HB . 27284 1 1478 . 1 1 140 140 ALA HB3 H 1 1.483 0.01 . . . . . . . 140 ALA HB . 27284 1 1479 . 1 1 140 140 ALA C C 13 180.251 0.01 . . . . . . . 140 ALA C . 27284 1 1480 . 1 1 140 140 ALA CA C 13 56.959 0.06 . . . . . . . 140 ALA CA . 27284 1 1481 . 1 1 140 140 ALA CB C 13 19.690 0.06 . . . . . . . 140 ALA CB . 27284 1 1482 . 1 1 140 140 ALA N N 15 124.569 0.02 . . . . . . . 140 ALA N . 27284 1 1483 . 1 1 141 141 SER H H 1 9.361 0.01 . . . . . . . 141 SER H . 27284 1 1484 . 1 1 141 141 SER HA H 1 4.491 0.00 . . . . . . . 141 SER HA . 27284 1 1485 . 1 1 141 141 SER HB2 H 1 4.043 0.01 . . . . . . . 141 SER HB . 27284 1 1486 . 1 1 141 141 SER HB3 H 1 4.043 0.01 . . . . . . . 141 SER HB . 27284 1 1487 . 1 1 141 141 SER C C 13 175.596 0.00 . . . . . . . 141 SER C . 27284 1 1488 . 1 1 141 141 SER CA C 13 62.758 0.22 . . . . . . . 141 SER CA . 27284 1 1489 . 1 1 141 141 SER N N 15 112.836 0.03 . . . . . . . 141 SER N . 27284 1 1490 . 1 1 142 142 PHE H H 1 7.262 0.02 . . . . . . . 142 PHE H . 27284 1 1491 . 1 1 142 142 PHE HA H 1 3.940 0.00 . . . . . . . 142 PHE HA . 27284 1 1492 . 1 1 142 142 PHE HB2 H 1 3.800 0.01 . . . . . . . 142 PHE HB2 . 27284 1 1493 . 1 1 142 142 PHE HB3 H 1 2.833 0.00 . . . . . . . 142 PHE HB3 . 27284 1 1494 . 1 1 142 142 PHE HD1 H 1 6.665 0.01 . . . . . . . 142 PHE HD . 27284 1 1495 . 1 1 142 142 PHE HD2 H 1 6.665 0.01 . . . . . . . 142 PHE HD . 27284 1 1496 . 1 1 142 142 PHE C C 13 176.783 0.02 . . . . . . . 142 PHE C . 27284 1 1497 . 1 1 142 142 PHE CA C 13 59.166 0.01 . . . . . . . 142 PHE CA . 27284 1 1498 . 1 1 142 142 PHE CB C 13 39.611 0.14 . . . . . . . 142 PHE CB . 27284 1 1499 . 1 1 142 142 PHE N N 15 123.330 0.02 . . . . . . . 142 PHE N . 27284 1 1500 . 1 1 143 143 ALA H H 1 8.196 0.02 . . . . . . . 143 ALA H . 27284 1 1501 . 1 1 143 143 ALA HA H 1 4.261 0.01 . . . . . . . 143 ALA HA . 27284 1 1502 . 1 1 143 143 ALA HB1 H 1 2.067 0.01 . . . . . . . 143 ALA HB . 27284 1 1503 . 1 1 143 143 ALA HB2 H 1 2.067 0.01 . . . . . . . 143 ALA HB . 27284 1 1504 . 1 1 143 143 ALA HB3 H 1 2.067 0.01 . . . . . . . 143 ALA HB . 27284 1 1505 . 1 1 143 143 ALA C C 13 178.510 0.03 . . . . . . . 143 ALA C . 27284 1 1506 . 1 1 143 143 ALA CA C 13 55.689 0.04 . . . . . . . 143 ALA CA . 27284 1 1507 . 1 1 143 143 ALA CB C 13 17.421 0.05 . . . . . . . 143 ALA CB . 27284 1 1508 . 1 1 143 143 ALA N N 15 120.337 0.04 . . . . . . . 143 ALA N . 27284 1 1509 . 1 1 144 144 GLU H H 1 8.106 0.01 . . . . . . . 144 GLU H . 27284 1 1510 . 1 1 144 144 GLU HA H 1 3.391 0.01 . . . . . . . 144 GLU HA . 27284 1 1511 . 1 1 144 144 GLU HB2 H 1 2.449 0.01 . . . . . . . 144 GLU HB2 . 27284 1 1512 . 1 1 144 144 GLU HB3 H 1 1.834 0.01 . . . . . . . 144 GLU HB3 . 27284 1 1513 . 1 1 144 144 GLU HG2 H 1 2.437 0.00 . . . . . . . 144 GLU HG . 27284 1 1514 . 1 1 144 144 GLU HG3 H 1 2.437 0.00 . . . . . . . 144 GLU HG . 27284 1 1515 . 1 1 144 144 GLU C C 13 177.882 0.02 . . . . . . . 144 GLU C . 27284 1 1516 . 1 1 144 144 GLU CA C 13 60.564 0.04 . . . . . . . 144 GLU CA . 27284 1 1517 . 1 1 144 144 GLU CB C 13 29.768 0.03 . . . . . . . 144 GLU CB . 27284 1 1518 . 1 1 144 144 GLU N N 15 115.891 0.02 . . . . . . . 144 GLU N . 27284 1 1519 . 1 1 145 145 GLY H H 1 7.553 0.01 . . . . . . . 145 GLY H . 27284 1 1520 . 1 1 145 145 GLY HA2 H 1 4.311 0.01 . . . . . . . 145 GLY HA2 . 27284 1 1521 . 1 1 145 145 GLY HA3 H 1 3.733 0.02 . . . . . . . 145 GLY HA3 . 27284 1 1522 . 1 1 145 145 GLY C C 13 175.184 0.00 . . . . . . . 145 GLY C . 27284 1 1523 . 1 1 145 145 GLY CA C 13 48.196 0.03 . . . . . . . 145 GLY CA . 27284 1 1524 . 1 1 145 145 GLY N N 15 105.549 0.03 . . . . . . . 145 GLY N . 27284 1 1525 . 1 1 146 146 LEU H H 1 7.733 0.01 . . . . . . . 146 LEU H . 27284 1 1526 . 1 1 146 146 LEU HA H 1 3.093 0.01 . . . . . . . 146 LEU HA . 27284 1 1527 . 1 1 146 146 LEU HB2 H 1 0.123 0.01 . . . . . . . 146 LEU HB2 . 27284 1 1528 . 1 1 146 146 LEU HB3 H 1 1.247 0.01 . . . . . . . 146 LEU HB3 . 27284 1 1529 . 1 1 146 146 LEU HG H 1 -0.624 0.00 . . . . . . . 146 LEU HG . 27284 1 1530 . 1 1 146 146 LEU HD11 H 1 -3.095 0.00 . . . . . . . 146 LEU HD1 . 27284 1 1531 . 1 1 146 146 LEU HD12 H 1 -3.095 0.00 . . . . . . . 146 LEU HD1 . 27284 1 1532 . 1 1 146 146 LEU HD13 H 1 -3.095 0.00 . . . . . . . 146 LEU HD1 . 27284 1 1533 . 1 1 146 146 LEU HD21 H 1 -1.621 0.00 . . . . . . . 146 LEU HD2 . 27284 1 1534 . 1 1 146 146 LEU HD22 H 1 -1.621 0.00 . . . . . . . 146 LEU HD2 . 27284 1 1535 . 1 1 146 146 LEU HD23 H 1 -1.621 0.00 . . . . . . . 146 LEU HD2 . 27284 1 1536 . 1 1 146 146 LEU C C 13 179.050 0.00 . . . . . . . 146 LEU C . 27284 1 1537 . 1 1 146 146 LEU CA C 13 58.037 0.07 . . . . . . . 146 LEU CA . 27284 1 1538 . 1 1 146 146 LEU CB C 13 41.312 0.09 . . . . . . . 146 LEU CB . 27284 1 1539 . 1 1 146 146 LEU CG C 13 25.719 0.01 . . . . . . . 146 LEU CG . 27284 1 1540 . 1 1 146 146 LEU CD1 C 13 24.749 0.09 . . . . . . . 146 LEU CD1 . 27284 1 1541 . 1 1 146 146 LEU N N 15 124.432 0.02 . . . . . . . 146 LEU N . 27284 1 1542 . 1 1 147 147 LEU H H 1 8.043 0.00 . . . . . . . 147 LEU H . 27284 1 1543 . 1 1 147 147 LEU HA H 1 3.822 0.02 . . . . . . . 147 LEU HA . 27284 1 1544 . 1 1 147 147 LEU HB2 H 1 2.026 0.02 . . . . . . . 147 LEU HB2 . 27284 1 1545 . 1 1 147 147 LEU HB3 H 1 2.272 0.00 . . . . . . . 147 LEU HB3 . 27284 1 1546 . 1 1 147 147 LEU HG H 1 0.841 0.00 . . . . . . . 147 LEU HG . 27284 1 1547 . 1 1 147 147 LEU HD11 H 1 1.140 0.00 . . . . . . . 147 LEU HD1 . 27284 1 1548 . 1 1 147 147 LEU HD12 H 1 1.140 0.00 . . . . . . . 147 LEU HD1 . 27284 1 1549 . 1 1 147 147 LEU HD13 H 1 1.140 0.00 . . . . . . . 147 LEU HD1 . 27284 1 1550 . 1 1 147 147 LEU HD21 H 1 0.340 0.00 . . . . . . . 147 LEU HD2 . 27284 1 1551 . 1 1 147 147 LEU HD22 H 1 0.340 0.00 . . . . . . . 147 LEU HD2 . 27284 1 1552 . 1 1 147 147 LEU HD23 H 1 0.340 0.00 . . . . . . . 147 LEU HD2 . 27284 1 1553 . 1 1 147 147 LEU C C 13 178.117 0.02 . . . . . . . 147 LEU C . 27284 1 1554 . 1 1 147 147 LEU CA C 13 58.291 0.14 . . . . . . . 147 LEU CA . 27284 1 1555 . 1 1 147 147 LEU CB C 13 41.971 0.06 . . . . . . . 147 LEU CB . 27284 1 1556 . 1 1 147 147 LEU N N 15 118.366 0.03 . . . . . . . 147 LEU N . 27284 1 1557 . 1 1 148 148 ASP H H 1 7.784 0.01 . . . . . . . 148 ASP H . 27284 1 1558 . 1 1 148 148 ASP HA H 1 4.228 0.01 . . . . . . . 148 ASP HA . 27284 1 1559 . 1 1 148 148 ASP HB2 H 1 2.911 0.01 . . . . . . . 148 ASP HB2 . 27284 1 1560 . 1 1 148 148 ASP HB3 H 1 2.423 0.02 . . . . . . . 148 ASP HB3 . 27284 1 1561 . 1 1 148 148 ASP C C 13 180.303 0.01 . . . . . . . 148 ASP C . 27284 1 1562 . 1 1 148 148 ASP CA C 13 57.039 0.19 . . . . . . . 148 ASP CA . 27284 1 1563 . 1 1 148 148 ASP CB C 13 40.740 0.09 . . . . . . . 148 ASP CB . 27284 1 1564 . 1 1 148 148 ASP N N 15 120.002 0.02 . . . . . . . 148 ASP N . 27284 1 1565 . 1 1 149 149 GLY H H 1 8.598 0.01 . . . . . . . 149 GLY H . 27284 1 1566 . 1 1 149 149 GLY HA2 H 1 3.543 0.01 . . . . . . . 149 GLY HA2 . 27284 1 1567 . 1 1 149 149 GLY HA3 H 1 3.396 0.01 . . . . . . . 149 GLY HA3 . 27284 1 1568 . 1 1 149 149 GLY C C 13 174.557 0.00 . . . . . . . 149 GLY C . 27284 1 1569 . 1 1 149 149 GLY CA C 13 47.154 0.07 . . . . . . . 149 GLY CA . 27284 1 1570 . 1 1 149 149 GLY N N 15 109.194 0.03 . . . . . . . 149 GLY N . 27284 1 1571 . 1 1 150 150 CYS H H 1 8.086 0.01 . . . . . . . 150 CYS H . 27284 1 1572 . 1 1 150 150 CYS HA H 1 3.147 0.01 . . . . . . . 150 CYS HA . 27284 1 1573 . 1 1 150 150 CYS HB2 H 1 2.122 0.01 . . . . . . . 150 CYS HB . 27284 1 1574 . 1 1 150 150 CYS HB3 H 1 2.122 0.01 . . . . . . . 150 CYS HB . 27284 1 1575 . 1 1 150 150 CYS C C 13 175.248 0.01 . . . . . . . 150 CYS C . 27284 1 1576 . 1 1 150 150 CYS CA C 13 61.529 0.06 . . . . . . . 150 CYS CA . 27284 1 1577 . 1 1 150 150 CYS CB C 13 25.964 0.05 . . . . . . . 150 CYS CB . 27284 1 1578 . 1 1 150 150 CYS N N 15 126.041 0.02 . . . . . . . 150 CYS N . 27284 1 1579 . 1 1 151 151 ALA H H 1 7.651 0.02 . . . . . . . 151 ALA H . 27284 1 1580 . 1 1 151 151 ALA HA H 1 3.147 0.01 . . . . . . . 151 ALA HA . 27284 1 1581 . 1 1 151 151 ALA HB1 H 1 0.499 0.01 . . . . . . . 151 ALA HB . 27284 1 1582 . 1 1 151 151 ALA HB2 H 1 0.499 0.01 . . . . . . . 151 ALA HB . 27284 1 1583 . 1 1 151 151 ALA HB3 H 1 0.499 0.01 . . . . . . . 151 ALA HB . 27284 1 1584 . 1 1 151 151 ALA C C 13 179.480 0.02 . . . . . . . 151 ALA C . 27284 1 1585 . 1 1 151 151 ALA CA C 13 56.103 0.06 . . . . . . . 151 ALA CA . 27284 1 1586 . 1 1 151 151 ALA CB C 13 16.763 0.06 . . . . . . . 151 ALA CB . 27284 1 1587 . 1 1 151 151 ALA N N 15 121.521 0.02 . . . . . . . 151 ALA N . 27284 1 1588 . 1 1 152 152 GLU H H 1 7.486 0.00 . . . . . . . 152 GLU H . 27284 1 1589 . 1 1 152 152 GLU HA H 1 3.930 0.01 . . . . . . . 152 GLU HA . 27284 1 1590 . 1 1 152 152 GLU HB2 H 1 2.027 0.01 . . . . . . . 152 GLU HB2 . 27284 1 1591 . 1 1 152 152 GLU HB3 H 1 2.191 0.00 . . . . . . . 152 GLU HB3 . 27284 1 1592 . 1 1 152 152 GLU HG2 H 1 3.455 0.00 . . . . . . . 152 GLU HG2 . 27284 1 1593 . 1 1 152 152 GLU C C 13 180.003 0.02 . . . . . . . 152 GLU C . 27284 1 1594 . 1 1 152 152 GLU CA C 13 59.226 0.09 . . . . . . . 152 GLU CA . 27284 1 1595 . 1 1 152 152 GLU CB C 13 29.480 0.11 . . . . . . . 152 GLU CB . 27284 1 1596 . 1 1 152 152 GLU CG C 13 36.106 0.00 . . . . . . . 152 GLU CG . 27284 1 1597 . 1 1 152 152 GLU N N 15 115.662 0.02 . . . . . . . 152 GLU N . 27284 1 1598 . 1 1 153 153 TYR H H 1 8.366 0.01 . . . . . . . 153 TYR H . 27284 1 1599 . 1 1 153 153 TYR HA H 1 4.026 0.02 . . . . . . . 153 TYR HA . 27284 1 1600 . 1 1 153 153 TYR HB2 H 1 3.109 0.03 . . . . . . . 153 TYR HB2 . 27284 1 1601 . 1 1 153 153 TYR HB3 H 1 3.076 0.02 . . . . . . . 153 TYR HB3 . 27284 1 1602 . 1 1 153 153 TYR HD1 H 1 6.452 0.01 . . . . . . . 153 TYR HD . 27284 1 1603 . 1 1 153 153 TYR HD2 H 1 6.452 0.01 . . . . . . . 153 TYR HD . 27284 1 1604 . 1 1 153 153 TYR C C 13 177.079 0.00 . . . . . . . 153 TYR C . 27284 1 1605 . 1 1 153 153 TYR CA C 13 61.443 0.04 . . . . . . . 153 TYR CA . 27284 1 1606 . 1 1 153 153 TYR CB C 13 39.271 0.11 . . . . . . . 153 TYR CB . 27284 1 1607 . 1 1 153 153 TYR CD1 C 13 132.949 0.03 . . . . . . . 153 TYR CD . 27284 1 1608 . 1 1 153 153 TYR CD2 C 13 132.949 0.03 . . . . . . . 153 TYR CD . 27284 1 1609 . 1 1 153 153 TYR N N 15 122.454 0.03 . . . . . . . 153 TYR N . 27284 1 1610 . 1 1 154 154 PHE H H 1 7.809 0.01 . . . . . . . 154 PHE H . 27284 1 1611 . 1 1 154 154 PHE HA H 1 4.278 0.01 . . . . . . . 154 PHE HA . 27284 1 1612 . 1 1 154 154 PHE HB2 H 1 3.647 0.01 . . . . . . . 154 PHE HB2 . 27284 1 1613 . 1 1 154 154 PHE HB3 H 1 2.630 0.01 . . . . . . . 154 PHE HB3 . 27284 1 1614 . 1 1 154 154 PHE HD1 H 1 7.749 0.02 . . . . . . . 154 PHE HD . 27284 1 1615 . 1 1 154 154 PHE HD2 H 1 7.749 0.02 . . . . . . . 154 PHE HD . 27284 1 1616 . 1 1 154 154 PHE HE1 H 1 7.436 0.03 . . . . . . . 154 PHE HE . 27284 1 1617 . 1 1 154 154 PHE HE2 H 1 7.436 0.03 . . . . . . . 154 PHE HE . 27284 1 1618 . 1 1 154 154 PHE HZ H 1 7.205 0.03 . . . . . . . 154 PHE HZ . 27284 1 1619 . 1 1 154 154 PHE C C 13 173.602 0.02 . . . . . . . 154 PHE C . 27284 1 1620 . 1 1 154 154 PHE CA C 13 59.499 0.08 . . . . . . . 154 PHE CA . 27284 1 1621 . 1 1 154 154 PHE CB C 13 39.128 0.06 . . . . . . . 154 PHE CB . 27284 1 1622 . 1 1 154 154 PHE CD1 C 13 133.199 0.04 . . . . . . . 154 PHE CD . 27284 1 1623 . 1 1 154 154 PHE CD2 C 13 133.199 0.04 . . . . . . . 154 PHE CD . 27284 1 1624 . 1 1 154 154 PHE CE1 C 13 131.027 0.07 . . . . . . . 154 PHE CE . 27284 1 1625 . 1 1 154 154 PHE CE2 C 13 131.027 0.07 . . . . . . . 154 PHE CE . 27284 1 1626 . 1 1 154 154 PHE N N 15 114.586 0.02 . . . . . . . 154 PHE N . 27284 1 1627 . 1 1 155 155 LYS H H 1 7.950 0.01 . . . . . . . 155 LYS H . 27284 1 1628 . 1 1 155 155 LYS HA H 1 3.748 0.01 . . . . . . . 155 LYS HA . 27284 1 1629 . 1 1 155 155 LYS HB2 H 1 2.122 0.01 . . . . . . . 155 LYS HB2 . 27284 1 1630 . 1 1 155 155 LYS HB3 H 1 1.793 0.01 . . . . . . . 155 LYS HB3 . 27284 1 1631 . 1 1 155 155 LYS HG2 H 1 1.293 0.04 . . . . . . . 155 LYS HG2 . 27284 1 1632 . 1 1 155 155 LYS HG3 H 1 1.259 0.00 . . . . . . . 155 LYS HG3 . 27284 1 1633 . 1 1 155 155 LYS C C 13 175.296 0.01 . . . . . . . 155 LYS C . 27284 1 1634 . 1 1 155 155 LYS CA C 13 57.057 0.08 . . . . . . . 155 LYS CA . 27284 1 1635 . 1 1 155 155 LYS CB C 13 28.522 0.04 . . . . . . . 155 LYS CB . 27284 1 1636 . 1 1 155 155 LYS CG C 13 24.969 0.11 . . . . . . . 155 LYS CG . 27284 1 1637 . 1 1 155 155 LYS CE C 13 41.589 0.00 . . . . . . . 155 LYS CE . 27284 1 1638 . 1 1 155 155 LYS N N 15 117.824 0.02 . . . . . . . 155 LYS N . 27284 1 1639 . 1 1 156 156 GLU H H 1 8.543 0.01 . . . . . . . 156 GLU H . 27284 1 1640 . 1 1 156 156 GLU HA H 1 4.584 0.01 . . . . . . . 156 GLU HA . 27284 1 1641 . 1 1 156 156 GLU HB2 H 1 1.814 0.02 . . . . . . . 156 GLU HB2 . 27284 1 1642 . 1 1 156 156 GLU HB3 H 1 1.624 0.02 . . . . . . . 156 GLU HB3 . 27284 1 1643 . 1 1 156 156 GLU HG2 H 1 1.596 0.00 . . . . . . . 156 GLU HG2 . 27284 1 1644 . 1 1 156 156 GLU HG3 H 1 2.281 0.00 . . . . . . . 156 GLU HG3 . 27284 1 1645 . 1 1 156 156 GLU C C 13 174.540 0.01 . . . . . . . 156 GLU C . 27284 1 1646 . 1 1 156 156 GLU CA C 13 54.479 0.08 . . . . . . . 156 GLU CA . 27284 1 1647 . 1 1 156 156 GLU CB C 13 34.381 0.02 . . . . . . . 156 GLU CB . 27284 1 1648 . 1 1 156 156 GLU CG C 13 35.829 0.00 . . . . . . . 156 GLU CG . 27284 1 1649 . 1 1 156 156 GLU N N 15 118.472 0.03 . . . . . . . 156 GLU N . 27284 1 1650 . 1 1 157 157 ASP H H 1 8.684 0.01 . . . . . . . 157 ASP H . 27284 1 1651 . 1 1 157 157 ASP HA H 1 4.885 0.01 . . . . . . . 157 ASP HA . 27284 1 1652 . 1 1 157 157 ASP HB2 H 1 2.593 0.01 . . . . . . . 157 ASP HB2 . 27284 1 1653 . 1 1 157 157 ASP HB3 H 1 2.417 0.01 . . . . . . . 157 ASP HB3 . 27284 1 1654 . 1 1 157 157 ASP C C 13 176.202 0.03 . . . . . . . 157 ASP C . 27284 1 1655 . 1 1 157 157 ASP CA C 13 53.303 0.07 . . . . . . . 157 ASP CA . 27284 1 1656 . 1 1 157 157 ASP CB C 13 42.562 0.07 . . . . . . . 157 ASP CB . 27284 1 1657 . 1 1 157 157 ASP N N 15 118.843 0.03 . . . . . . . 157 ASP N . 27284 1 1658 . 1 1 158 158 PHE H H 1 8.954 0.01 . . . . . . . 158 PHE H . 27284 1 1659 . 1 1 158 158 PHE HA H 1 5.792 0.01 . . . . . . . 158 PHE HA . 27284 1 1660 . 1 1 158 158 PHE HB2 H 1 3.232 0.01 . . . . . . . 158 PHE HB2 . 27284 1 1661 . 1 1 158 158 PHE HB3 H 1 2.920 0.01 . . . . . . . 158 PHE HB3 . 27284 1 1662 . 1 1 158 158 PHE HD1 H 1 6.932 0.02 . . . . . . . 158 PHE HD . 27284 1 1663 . 1 1 158 158 PHE HD2 H 1 6.932 0.02 . . . . . . . 158 PHE HD . 27284 1 1664 . 1 1 158 158 PHE HE1 H 1 7.402 0.02 . . . . . . . 158 PHE HE . 27284 1 1665 . 1 1 158 158 PHE HE2 H 1 7.402 0.02 . . . . . . . 158 PHE HE . 27284 1 1666 . 1 1 158 158 PHE C C 13 176.761 0.03 . . . . . . . 158 PHE C . 27284 1 1667 . 1 1 158 158 PHE CA C 13 52.721 0.06 . . . . . . . 158 PHE CA . 27284 1 1668 . 1 1 158 158 PHE CB C 13 39.706 0.17 . . . . . . . 158 PHE CB . 27284 1 1669 . 1 1 158 158 PHE CD1 C 13 129.533 0.03 . . . . . . . 158 PHE CD . 27284 1 1670 . 1 1 158 158 PHE CD2 C 13 129.533 0.03 . . . . . . . 158 PHE CD . 27284 1 1671 . 1 1 158 158 PHE N N 15 123.347 0.02 . . . . . . . 158 PHE N . 27284 1 1672 . 1 1 159 159 THR H H 1 9.132 0.01 . . . . . . . 159 THR H . 27284 1 1673 . 1 1 159 159 THR HA H 1 4.498 0.01 . . . . . . . 159 THR HA . 27284 1 1674 . 1 1 159 159 THR HB H 1 4.038 0.01 . . . . . . . 159 THR HB . 27284 1 1675 . 1 1 159 159 THR HG1 H 1 1.200 0.01 . . . . . . . 159 THR HG1 . 27284 1 1676 . 1 1 159 159 THR HG21 H 1 1.180 0.01 . . . . . . . 159 THR HG2 . 27284 1 1677 . 1 1 159 159 THR HG22 H 1 1.180 0.01 . . . . . . . 159 THR HG2 . 27284 1 1678 . 1 1 159 159 THR HG23 H 1 1.180 0.01 . . . . . . . 159 THR HG2 . 27284 1 1679 . 1 1 159 159 THR C C 13 173.812 0.00 . . . . . . . 159 THR C . 27284 1 1680 . 1 1 159 159 THR CA C 13 62.610 0.06 . . . . . . . 159 THR CA . 27284 1 1681 . 1 1 159 159 THR CB C 13 69.679 0.28 . . . . . . . 159 THR CB . 27284 1 1682 . 1 1 159 159 THR N N 15 119.070 0.02 . . . . . . . 159 THR N . 27284 1 1683 . 1 1 160 160 ILE H H 1 9.136 0.01 . . . . . . . 160 ILE H . 27284 1 1684 . 1 1 160 160 ILE HA H 1 4.836 0.01 . . . . . . . 160 ILE HA . 27284 1 1685 . 1 1 160 160 ILE HB H 1 1.834 0.01 . . . . . . . 160 ILE HB . 27284 1 1686 . 1 1 160 160 ILE HG21 H 1 0.854 0.00 . . . . . . . 160 ILE HG2 . 27284 1 1687 . 1 1 160 160 ILE HG22 H 1 0.854 0.00 . . . . . . . 160 ILE HG2 . 27284 1 1688 . 1 1 160 160 ILE HG23 H 1 0.854 0.00 . . . . . . . 160 ILE HG2 . 27284 1 1689 . 1 1 160 160 ILE HD11 H 1 0.951 0.01 . . . . . . . 160 ILE HD1 . 27284 1 1690 . 1 1 160 160 ILE HD12 H 1 0.951 0.01 . . . . . . . 160 ILE HD1 . 27284 1 1691 . 1 1 160 160 ILE HD13 H 1 0.951 0.01 . . . . . . . 160 ILE HD1 . 27284 1 1692 . 1 1 160 160 ILE C C 13 175.375 0.03 . . . . . . . 160 ILE C . 27284 1 1693 . 1 1 160 160 ILE CA C 13 60.790 0.05 . . . . . . . 160 ILE CA . 27284 1 1694 . 1 1 160 160 ILE CB C 13 40.451 0.09 . . . . . . . 160 ILE CB . 27284 1 1695 . 1 1 160 160 ILE CG1 C 13 27.897 0.00 . . . . . . . 160 ILE CG1 . 27284 1 1696 . 1 1 160 160 ILE CG2 C 13 17.989 0.01 . . . . . . . 160 ILE CG2 . 27284 1 1697 . 1 1 160 160 ILE N N 15 128.725 0.03 . . . . . . . 160 ILE N . 27284 1 1698 . 1 1 161 161 SER H H 1 9.075 0.01 . . . . . . . 161 SER H . 27284 1 1699 . 1 1 161 161 SER HA H 1 5.001 0.01 . . . . . . . 161 SER HA . 27284 1 1700 . 1 1 161 161 SER HB2 H 1 3.887 0.01 . . . . . . . 161 SER HB . 27284 1 1701 . 1 1 161 161 SER HB3 H 1 3.887 0.01 . . . . . . . 161 SER HB . 27284 1 1702 . 1 1 161 161 SER C C 13 173.606 0.01 . . . . . . . 161 SER C . 27284 1 1703 . 1 1 161 161 SER CA C 13 56.563 0.06 . . . . . . . 161 SER CA . 27284 1 1704 . 1 1 161 161 SER CB C 13 65.706 0.07 . . . . . . . 161 SER CB . 27284 1 1705 . 1 1 161 161 SER N N 15 122.058 0.03 . . . . . . . 161 SER N . 27284 1 1706 . 1 1 162 162 ARG H H 1 8.985 0.01 . . . . . . . 162 ARG H . 27284 1 1707 . 1 1 162 162 ARG HA H 1 5.301 0.01 . . . . . . . 162 ARG HA . 27284 1 1708 . 1 1 162 162 ARG HB2 H 1 1.559 0.02 . . . . . . . 162 ARG HB2 . 27284 1 1709 . 1 1 162 162 ARG HB3 H 1 1.948 0.00 . . . . . . . 162 ARG HB3 . 27284 1 1710 . 1 1 162 162 ARG HG2 H 1 1.258 0.00 . . . . . . . 162 ARG HG . 27284 1 1711 . 1 1 162 162 ARG HG3 H 1 1.258 0.00 . . . . . . . 162 ARG HG . 27284 1 1712 . 1 1 162 162 ARG C C 13 178.282 0.01 . . . . . . . 162 ARG C . 27284 1 1713 . 1 1 162 162 ARG CA C 13 54.862 0.08 . . . . . . . 162 ARG CA . 27284 1 1714 . 1 1 162 162 ARG CB C 13 31.739 0.05 . . . . . . . 162 ARG CB . 27284 1 1715 . 1 1 162 162 ARG N N 15 122.750 0.02 . . . . . . . 162 ARG N . 27284 1 1716 . 1 1 163 163 THR H H 1 8.372 0.00 . . . . . . . 163 THR H . 27284 1 1717 . 1 1 163 163 THR HA H 1 4.431 0.01 . . . . . . . 163 THR HA . 27284 1 1718 . 1 1 163 163 THR HB H 1 1.705 0.00 . . . . . . . 163 THR HB . 27284 1 1719 . 1 1 163 163 THR HG21 H 1 1.200 0.00 . . . . . . . 163 THR HG2 . 27284 1 1720 . 1 1 163 163 THR HG22 H 1 1.200 0.00 . . . . . . . 163 THR HG2 . 27284 1 1721 . 1 1 163 163 THR HG23 H 1 1.200 0.00 . . . . . . . 163 THR HG2 . 27284 1 1722 . 1 1 163 163 THR C C 13 174.150 0.00 . . . . . . . 163 THR C . 27284 1 1723 . 1 1 163 163 THR CA C 13 60.048 0.07 . . . . . . . 163 THR CA . 27284 1 1724 . 1 1 163 163 THR CB C 13 67.677 0.00 . . . . . . . 163 THR CB . 27284 1 1725 . 1 1 163 163 THR N N 15 114.711 0.02 . . . . . . . 163 THR N . 27284 1 1726 . 1 1 164 164 PRO HA H 1 4.259 0.01 . . . . . . . 164 PRO HA . 27284 1 1727 . 1 1 164 164 PRO HB2 H 1 2.351 0.02 . . . . . . . 164 PRO HB2 . 27284 1 1728 . 1 1 164 164 PRO HB3 H 1 1.902 0.01 . . . . . . . 164 PRO HB3 . 27284 1 1729 . 1 1 164 164 PRO HD2 H 1 4.106 0.00 . . . . . . . 164 PRO HD . 27284 1 1730 . 1 1 164 164 PRO HD3 H 1 4.106 0.00 . . . . . . . 164 PRO HD . 27284 1 1731 . 1 1 164 164 PRO C C 13 179.370 0.00 . . . . . . . 164 PRO C . 27284 1 1732 . 1 1 164 164 PRO CA C 13 65.387 0.06 . . . . . . . 164 PRO CA . 27284 1 1733 . 1 1 164 164 PRO CB C 13 31.578 0.02 . . . . . . . 164 PRO CB . 27284 1 1734 . 1 1 164 164 PRO CG C 13 28.178 0.00 . . . . . . . 164 PRO CG . 27284 1 1735 . 1 1 165 165 GLU H H 1 8.937 0.00 . . . . . . . 165 GLU H . 27284 1 1736 . 1 1 165 165 GLU HA H 1 4.235 0.01 . . . . . . . 165 GLU HA . 27284 1 1737 . 1 1 165 165 GLU HB2 H 1 2.063 0.01 . . . . . . . 165 GLU HB2 . 27284 1 1738 . 1 1 165 165 GLU HB3 H 1 2.174 0.00 . . . . . . . 165 GLU HB3 . 27284 1 1739 . 1 1 165 165 GLU C C 13 177.409 0.03 . . . . . . . 165 GLU C . 27284 1 1740 . 1 1 165 165 GLU CA C 13 58.791 0.04 . . . . . . . 165 GLU CA . 27284 1 1741 . 1 1 165 165 GLU CB C 13 28.346 0.02 . . . . . . . 165 GLU CB . 27284 1 1742 . 1 1 165 165 GLU N N 15 113.712 0.01 . . . . . . . 165 GLU N . 27284 1 1743 . 1 1 166 166 THR H H 1 7.867 0.01 . . . . . . . 166 THR H . 27284 1 1744 . 1 1 166 166 THR HA H 1 4.711 0.01 . . . . . . . 166 THR HA . 27284 1 1745 . 1 1 166 166 THR HB H 1 5.167 0.01 . . . . . . . 166 THR HB . 27284 1 1746 . 1 1 166 166 THR HG21 H 1 0.986 0.01 . . . . . . . 166 THR HG2 . 27284 1 1747 . 1 1 166 166 THR HG22 H 1 0.986 0.01 . . . . . . . 166 THR HG2 . 27284 1 1748 . 1 1 166 166 THR HG23 H 1 0.986 0.01 . . . . . . . 166 THR HG2 . 27284 1 1749 . 1 1 166 166 THR C C 13 174.858 0.02 . . . . . . . 166 THR C . 27284 1 1750 . 1 1 166 166 THR CA C 13 61.313 0.07 . . . . . . . 166 THR CA . 27284 1 1751 . 1 1 166 166 THR CB C 13 69.853 0.02 . . . . . . . 166 THR CB . 27284 1 1752 . 1 1 166 166 THR N N 15 108.164 0.02 . . . . . . . 166 THR N . 27284 1 1753 . 1 1 167 167 GLN H H 1 7.161 0.01 . . . . . . . 167 GLN H . 27284 1 1754 . 1 1 167 167 GLN HA H 1 3.824 0.01 . . . . . . . 167 GLN HA . 27284 1 1755 . 1 1 167 167 GLN HB2 H 1 2.120 0.00 . . . . . . . 167 GLN HB2 . 27284 1 1756 . 1 1 167 167 GLN HB3 H 1 1.967 0.01 . . . . . . . 167 GLN HB3 . 27284 1 1757 . 1 1 167 167 GLN HG2 H 1 2.481 0.01 . . . . . . . 167 GLN HG2 . 27284 1 1758 . 1 1 167 167 GLN HG3 H 1 2.356 0.01 . . . . . . . 167 GLN HG3 . 27284 1 1759 . 1 1 167 167 GLN C C 13 176.262 0.02 . . . . . . . 167 GLN C . 27284 1 1760 . 1 1 167 167 GLN CA C 13 58.580 0.08 . . . . . . . 167 GLN CA . 27284 1 1761 . 1 1 167 167 GLN CB C 13 28.806 0.05 . . . . . . . 167 GLN CB . 27284 1 1762 . 1 1 167 167 GLN CG C 13 32.864 0.06 . . . . . . . 167 GLN CG . 27284 1 1763 . 1 1 167 167 GLN N N 15 119.267 0.03 . . . . . . . 167 GLN N . 27284 1 1764 . 1 1 168 168 ASP H H 1 8.307 0.01 . . . . . . . 168 ASP H . 27284 1 1765 . 1 1 168 168 ASP HA H 1 4.687 0.01 . . . . . . . 168 ASP HA . 27284 1 1766 . 1 1 168 168 ASP HB2 H 1 2.770 0.01 . . . . . . . 168 ASP HB2 . 27284 1 1767 . 1 1 168 168 ASP HB3 H 1 2.559 0.01 . . . . . . . 168 ASP HB3 . 27284 1 1768 . 1 1 168 168 ASP C C 13 175.612 0.02 . . . . . . . 168 ASP C . 27284 1 1769 . 1 1 168 168 ASP CA C 13 54.057 0.07 . . . . . . . 168 ASP CA . 27284 1 1770 . 1 1 168 168 ASP CB C 13 40.761 0.10 . . . . . . . 168 ASP CB . 27284 1 1771 . 1 1 168 168 ASP N N 15 115.447 0.02 . . . . . . . 168 ASP N . 27284 1 1772 . 1 1 169 169 SER H H 1 7.343 0.01 . . . . . . . 169 SER H . 27284 1 1773 . 1 1 169 169 SER HA H 1 4.455 0.01 . . . . . . . 169 SER HA . 27284 1 1774 . 1 1 169 169 SER HB2 H 1 3.862 0.01 . . . . . . . 169 SER HB2 . 27284 1 1775 . 1 1 169 169 SER C C 13 173.580 0.02 . . . . . . . 169 SER C . 27284 1 1776 . 1 1 169 169 SER CA C 13 56.992 0.03 . . . . . . . 169 SER CA . 27284 1 1777 . 1 1 169 169 SER CB C 13 64.479 0.03 . . . . . . . 169 SER CB . 27284 1 1778 . 1 1 169 169 SER N N 15 114.725 0.01 . . . . . . . 169 SER N . 27284 1 1779 . 1 1 170 170 GLU H H 1 8.585 0.00 . . . . . . . 170 GLU H . 27284 1 1780 . 1 1 170 170 GLU HA H 1 4.900 0.02 . . . . . . . 170 GLU HA . 27284 1 1781 . 1 1 170 170 GLU HB2 H 1 2.476 0.02 . . . . . . . 170 GLU HB2 . 27284 1 1782 . 1 1 170 170 GLU HB3 H 1 2.404 0.00 . . . . . . . 170 GLU HB3 . 27284 1 1783 . 1 1 170 170 GLU HG2 H 1 2.437 0.00 . . . . . . . 170 GLU HG2 . 27284 1 1784 . 1 1 170 170 GLU C C 13 175.767 0.02 . . . . . . . 170 GLU C . 27284 1 1785 . 1 1 170 170 GLU CA C 13 54.879 0.08 . . . . . . . 170 GLU CA . 27284 1 1786 . 1 1 170 170 GLU CB C 13 32.315 0.02 . . . . . . . 170 GLU CB . 27284 1 1787 . 1 1 170 170 GLU CG C 13 36.248 0.00 . . . . . . . 170 GLU CG . 27284 1 1788 . 1 1 170 170 GLU N N 15 118.807 0.03 . . . . . . . 170 GLU N . 27284 1 1789 . 1 1 171 171 THR H H 1 8.474 0.01 . . . . . . . 171 THR H . 27284 1 1790 . 1 1 171 171 THR HA H 1 5.761 0.00 . . . . . . . 171 THR HA . 27284 1 1791 . 1 1 171 171 THR HB H 1 6.306 0.00 . . . . . . . 171 THR HB . 27284 1 1792 . 1 1 171 171 THR HG21 H 1 0.956 0.00 . . . . . . . 171 THR HG2 . 27284 1 1793 . 1 1 171 171 THR HG22 H 1 0.956 0.00 . . . . . . . 171 THR HG2 . 27284 1 1794 . 1 1 171 171 THR HG23 H 1 0.956 0.00 . . . . . . . 171 THR HG2 . 27284 1 1795 . 1 1 171 171 THR C C 13 174.375 0.00 . . . . . . . 171 THR C . 27284 1 1796 . 1 1 171 171 THR CA C 13 61.989 0.00 . . . . . . . 171 THR CA . 27284 1 1797 . 1 1 171 171 THR CB C 13 70.789 0.00 . . . . . . . 171 THR CB . 27284 1 1798 . 1 1 171 171 THR N N 15 108.061 0.03 . . . . . . . 171 THR N . 27284 1 1799 . 1 1 172 172 ASP H H 1 7.824 0.01 . . . . . . . 172 ASP H . 27284 1 1800 . 1 1 172 172 ASP HA H 1 5.510 0.01 . . . . . . . 172 ASP HA . 27284 1 1801 . 1 1 172 172 ASP HB2 H 1 2.846 0.01 . . . . . . . 172 ASP HB2 . 27284 1 1802 . 1 1 172 172 ASP HB3 H 1 2.361 0.01 . . . . . . . 172 ASP HB3 . 27284 1 1803 . 1 1 172 172 ASP C C 13 175.112 0.00 . . . . . . . 172 ASP C . 27284 1 1804 . 1 1 172 172 ASP CA C 13 53.949 0.08 . . . . . . . 172 ASP CA . 27284 1 1805 . 1 1 172 172 ASP CB C 13 40.921 0.05 . . . . . . . 172 ASP CB . 27284 1 1806 . 1 1 172 172 ASP N N 15 125.370 0.03 . . . . . . . 172 ASP N . 27284 1 1807 . 1 1 173 173 VAL H H 1 8.939 0.01 . . . . . . . 173 VAL H . 27284 1 1808 . 1 1 173 173 VAL HA H 1 4.211 0.01 . . . . . . . 173 VAL HA . 27284 1 1809 . 1 1 173 173 VAL HB H 1 1.413 0.01 . . . . . . . 173 VAL HB . 27284 1 1810 . 1 1 173 173 VAL HG11 H 1 -0.032 0.01 . . . . . . . 173 VAL HG1 . 27284 1 1811 . 1 1 173 173 VAL HG12 H 1 -0.032 0.01 . . . . . . . 173 VAL HG1 . 27284 1 1812 . 1 1 173 173 VAL HG13 H 1 -0.032 0.01 . . . . . . . 173 VAL HG1 . 27284 1 1813 . 1 1 173 173 VAL HG21 H 1 0.854 0.01 . . . . . . . 173 VAL HG2 . 27284 1 1814 . 1 1 173 173 VAL HG22 H 1 0.854 0.01 . . . . . . . 173 VAL HG2 . 27284 1 1815 . 1 1 173 173 VAL HG23 H 1 0.854 0.01 . . . . . . . 173 VAL HG2 . 27284 1 1816 . 1 1 173 173 VAL C C 13 173.698 0.01 . . . . . . . 173 VAL C . 27284 1 1817 . 1 1 173 173 VAL CA C 13 61.220 0.05 . . . . . . . 173 VAL CA . 27284 1 1818 . 1 1 173 173 VAL CB C 13 38.064 0.01 . . . . . . . 173 VAL CB . 27284 1 1819 . 1 1 173 173 VAL CG1 C 13 21.283 0.07 . . . . . . . 173 VAL CG1 . 27284 1 1820 . 1 1 173 173 VAL N N 15 120.876 0.03 . . . . . . . 173 VAL N . 27284 1 1821 . 1 1 174 174 ILE H H 1 7.910 0.01 . . . . . . . 174 ILE H . 27284 1 1822 . 1 1 174 174 ILE HA H 1 4.431 0.01 . . . . . . . 174 ILE HA . 27284 1 1823 . 1 1 174 174 ILE HB H 1 1.695 0.02 . . . . . . . 174 ILE HB . 27284 1 1824 . 1 1 174 174 ILE HG12 H 1 0.431 0.00 . . . . . . . 174 ILE HG12 . 27284 1 1825 . 1 1 174 174 ILE HG13 H 1 1.195 0.00 . . . . . . . 174 ILE HG13 . 27284 1 1826 . 1 1 174 174 ILE HG21 H 1 0.533 0.00 . . . . . . . 174 ILE HG2 . 27284 1 1827 . 1 1 174 174 ILE HG22 H 1 0.533 0.00 . . . . . . . 174 ILE HG2 . 27284 1 1828 . 1 1 174 174 ILE HG23 H 1 0.533 0.00 . . . . . . . 174 ILE HG2 . 27284 1 1829 . 1 1 174 174 ILE HD11 H 1 0.060 0.00 . . . . . . . 174 ILE HD1 . 27284 1 1830 . 1 1 174 174 ILE HD12 H 1 0.060 0.00 . . . . . . . 174 ILE HD1 . 27284 1 1831 . 1 1 174 174 ILE HD13 H 1 0.060 0.00 . . . . . . . 174 ILE HD1 . 27284 1 1832 . 1 1 174 174 ILE C C 13 173.740 0.03 . . . . . . . 174 ILE C . 27284 1 1833 . 1 1 174 174 ILE CA C 13 60.733 0.06 . . . . . . . 174 ILE CA . 27284 1 1834 . 1 1 174 174 ILE CB C 13 37.388 0.14 . . . . . . . 174 ILE CB . 27284 1 1835 . 1 1 174 174 ILE CG1 C 13 13.426 0.05 . . . . . . . 174 ILE CG1 . 27284 1 1836 . 1 1 174 174 ILE CG2 C 13 18.180 0.07 . . . . . . . 174 ILE CG2 . 27284 1 1837 . 1 1 174 174 ILE N N 15 127.189 0.02 . . . . . . . 174 ILE N . 27284 1 1838 . 1 1 175 175 PHE H H 1 9.290 0.02 . . . . . . . 175 PHE H . 27284 1 1839 . 1 1 175 175 PHE HA H 1 5.303 0.01 . . . . . . . 175 PHE HA . 27284 1 1840 . 1 1 175 175 PHE HB2 H 1 3.130 0.01 . . . . . . . 175 PHE HB2 . 27284 1 1841 . 1 1 175 175 PHE HB3 H 1 2.800 0.02 . . . . . . . 175 PHE HB3 . 27284 1 1842 . 1 1 175 175 PHE HD1 H 1 7.156 0.01 . . . . . . . 175 PHE HD . 27284 1 1843 . 1 1 175 175 PHE HD2 H 1 7.156 0.01 . . . . . . . 175 PHE HD . 27284 1 1844 . 1 1 175 175 PHE HE1 H 1 6.528 0.02 . . . . . . . 175 PHE HE . 27284 1 1845 . 1 1 175 175 PHE HE2 H 1 6.528 0.02 . . . . . . . 175 PHE HE . 27284 1 1846 . 1 1 175 175 PHE C C 13 175.607 0.03 . . . . . . . 175 PHE C . 27284 1 1847 . 1 1 175 175 PHE CA C 13 56.096 0.04 . . . . . . . 175 PHE CA . 27284 1 1848 . 1 1 175 175 PHE CB C 13 41.291 0.07 . . . . . . . 175 PHE CB . 27284 1 1849 . 1 1 175 175 PHE N N 15 123.610 0.03 . . . . . . . 175 PHE N . 27284 1 1850 . 1 1 176 176 ASN H H 1 9.440 0.01 . . . . . . . 176 ASN H . 27284 1 1851 . 1 1 176 176 ASN HA H 1 5.207 0.01 . . . . . . . 176 ASN HA . 27284 1 1852 . 1 1 176 176 ASN HB2 H 1 2.700 0.01 . . . . . . . 176 ASN HB2 . 27284 1 1853 . 1 1 176 176 ASN HB3 H 1 2.660 0.01 . . . . . . . 176 ASN HB3 . 27284 1 1854 . 1 1 176 176 ASN C C 13 174.632 0.03 . . . . . . . 176 ASN C . 27284 1 1855 . 1 1 176 176 ASN CA C 13 53.148 0.08 . . . . . . . 176 ASN CA . 27284 1 1856 . 1 1 176 176 ASN CB C 13 39.908 0.04 . . . . . . . 176 ASN CB . 27284 1 1857 . 1 1 176 176 ASN N N 15 122.178 0.03 . . . . . . . 176 ASN N . 27284 1 1858 . 1 1 177 177 ILE H H 1 9.015 0.02 . . . . . . . 177 ILE H . 27284 1 1859 . 1 1 177 177 ILE HA H 1 4.990 0.01 . . . . . . . 177 ILE HA . 27284 1 1860 . 1 1 177 177 ILE HB H 1 1.383 0.01 . . . . . . . 177 ILE HB . 27284 1 1861 . 1 1 177 177 ILE HG12 H 1 1.417 0.01 . . . . . . . 177 ILE HG1 . 27284 1 1862 . 1 1 177 177 ILE HG13 H 1 1.417 0.01 . . . . . . . 177 ILE HG1 . 27284 1 1863 . 1 1 177 177 ILE HG21 H 1 0.141 0.01 . . . . . . . 177 ILE HG2 . 27284 1 1864 . 1 1 177 177 ILE HG22 H 1 0.141 0.01 . . . . . . . 177 ILE HG2 . 27284 1 1865 . 1 1 177 177 ILE HG23 H 1 0.141 0.01 . . . . . . . 177 ILE HG2 . 27284 1 1866 . 1 1 177 177 ILE HD11 H 1 0.687 0.01 . . . . . . . 177 ILE HD1 . 27284 1 1867 . 1 1 177 177 ILE HD12 H 1 0.687 0.01 . . . . . . . 177 ILE HD1 . 27284 1 1868 . 1 1 177 177 ILE HD13 H 1 0.687 0.01 . . . . . . . 177 ILE HD1 . 27284 1 1869 . 1 1 177 177 ILE C C 13 174.832 0.00 . . . . . . . 177 ILE C . 27284 1 1870 . 1 1 177 177 ILE CA C 13 60.464 0.06 . . . . . . . 177 ILE CA . 27284 1 1871 . 1 1 177 177 ILE CB C 13 40.560 0.09 . . . . . . . 177 ILE CB . 27284 1 1872 . 1 1 177 177 ILE CG1 C 13 28.079 0.00 . . . . . . . 177 ILE CG1 . 27284 1 1873 . 1 1 177 177 ILE CG2 C 13 17.329 0.05 . . . . . . . 177 ILE CG2 . 27284 1 1874 . 1 1 177 177 ILE N N 15 124.699 0.02 . . . . . . . 177 ILE N . 27284 1 1875 . 1 1 178 178 THR H H 1 8.464 0.01 . . . . . . . 178 THR H . 27284 1 1876 . 1 1 178 178 THR HA H 1 5.618 0.01 . . . . . . . 178 THR HA . 27284 1 1877 . 1 1 178 178 THR HB H 1 3.785 0.01 . . . . . . . 178 THR HB . 27284 1 1878 . 1 1 178 178 THR HG21 H 1 1.220 0.01 . . . . . . . 178 THR HG2 . 27284 1 1879 . 1 1 178 178 THR HG22 H 1 1.220 0.01 . . . . . . . 178 THR HG2 . 27284 1 1880 . 1 1 178 178 THR HG23 H 1 1.220 0.01 . . . . . . . 178 THR HG2 . 27284 1 1881 . 1 1 178 178 THR C C 13 173.786 0.04 . . . . . . . 178 THR C . 27284 1 1882 . 1 1 178 178 THR CA C 13 60.435 0.05 . . . . . . . 178 THR CA . 27284 1 1883 . 1 1 178 178 THR CB C 13 71.943 0.10 . . . . . . . 178 THR CB . 27284 1 1884 . 1 1 178 178 THR N N 15 123.220 0.04 . . . . . . . 178 THR N . 27284 1 1885 . 1 1 179 179 ARG H H 1 8.656 0.01 . . . . . . . 179 ARG H . 27284 1 1886 . 1 1 179 179 ARG HA H 1 5.585 0.01 . . . . . . . 179 ARG HA . 27284 1 1887 . 1 1 179 179 ARG HB2 H 1 1.545 0.02 . . . . . . . 179 ARG HB2 . 27284 1 1888 . 1 1 179 179 ARG HB3 H 1 1.422 0.01 . . . . . . . 179 ARG HB3 . 27284 1 1889 . 1 1 179 179 ARG C C 13 173.832 0.03 . . . . . . . 179 ARG C . 27284 1 1890 . 1 1 179 179 ARG CA C 13 53.375 0.08 . . . . . . . 179 ARG CA . 27284 1 1891 . 1 1 179 179 ARG CB C 13 33.515 0.13 . . . . . . . 179 ARG CB . 27284 1 1892 . 1 1 179 179 ARG CG C 13 25.176 0.00 . . . . . . . 179 ARG CG . 27284 1 1893 . 1 1 179 179 ARG N N 15 123.451 0.02 . . . . . . . 179 ARG N . 27284 1 1894 . 1 1 180 180 ALA H H 1 8.386 0.01 . . . . . . . 180 ALA H . 27284 1 1895 . 1 1 180 180 ALA HA H 1 4.683 0.00 . . . . . . . 180 ALA HA . 27284 1 1896 . 1 1 180 180 ALA HB1 H 1 1.370 0.00 . . . . . . . 180 ALA HB . 27284 1 1897 . 1 1 180 180 ALA HB2 H 1 1.370 0.00 . . . . . . . 180 ALA HB . 27284 1 1898 . 1 1 180 180 ALA HB3 H 1 1.370 0.00 . . . . . . . 180 ALA HB . 27284 1 1899 . 1 1 180 180 ALA C C 13 174.516 0.00 . . . . . . . 180 ALA C . 27284 1 1900 . 1 1 180 180 ALA CA C 13 49.898 0.01 . . . . . . . 180 ALA CA . 27284 1 1901 . 1 1 180 180 ALA CB C 13 19.990 0.00 . . . . . . . 180 ALA CB . 27284 1 1902 . 1 1 180 180 ALA N N 15 125.117 0.03 . . . . . . . 180 ALA N . 27284 1 1903 . 1 1 181 181 PRO HA H 1 4.423 0.01 . . . . . . . 181 PRO HA . 27284 1 1904 . 1 1 181 181 PRO HB2 H 1 2.302 0.01 . . . . . . . 181 PRO HB2 . 27284 1 1905 . 1 1 181 181 PRO HB3 H 1 1.851 0.01 . . . . . . . 181 PRO HB3 . 27284 1 1906 . 1 1 181 181 PRO HG2 H 1 1.932 0.00 . . . . . . . 181 PRO HG2 . 27284 1 1907 . 1 1 181 181 PRO HG3 H 1 2.017 0.00 . . . . . . . 181 PRO HG3 . 27284 1 1908 . 1 1 181 181 PRO HD2 H 1 3.723 0.00 . . . . . . . 181 PRO HD2 . 27284 1 1909 . 1 1 181 181 PRO HD3 H 1 3.596 0.01 . . . . . . . 181 PRO HD3 . 27284 1 1910 . 1 1 181 181 PRO C C 13 176.968 0.00 . . . . . . . 181 PRO C . 27284 1 1911 . 1 1 181 181 PRO CA C 13 62.754 0.04 . . . . . . . 181 PRO CA . 27284 1 1912 . 1 1 181 181 PRO CB C 13 32.015 0.05 . . . . . . . 181 PRO CB . 27284 1 1913 . 1 1 181 181 PRO CG C 13 27.440 0.00 . . . . . . . 181 PRO CG . 27284 1 1914 . 1 1 182 182 ARG H H 1 8.460 0.00 . . . . . . . 182 ARG H . 27284 1 1915 . 1 1 182 182 ARG HA H 1 4.245 0.01 . . . . . . . 182 ARG HA . 27284 1 1916 . 1 1 182 182 ARG HB2 H 1 1.734 0.01 . . . . . . . 182 ARG HB2 . 27284 1 1917 . 1 1 182 182 ARG HB3 H 1 1.574 0.01 . . . . . . . 182 ARG HB3 . 27284 1 1918 . 1 1 182 182 ARG HG2 H 1 2.083 0.00 . . . . . . . 182 ARG HG . 27284 1 1919 . 1 1 182 182 ARG HG3 H 1 2.083 0.00 . . . . . . . 182 ARG HG . 27284 1 1920 . 1 1 182 182 ARG HD2 H 1 3.060 0.01 . . . . . . . 182 ARG HD2 . 27284 1 1921 . 1 1 182 182 ARG HD3 H 1 3.262 0.00 . . . . . . . 182 ARG HD3 . 27284 1 1922 . 1 1 182 182 ARG HE H 1 6.552 0.01 . . . . . . . 182 ARG HE . 27284 1 1923 . 1 1 182 182 ARG C C 13 177.184 0.00 . . . . . . . 182 ARG C . 27284 1 1924 . 1 1 182 182 ARG CA C 13 56.453 0.09 . . . . . . . 182 ARG CA . 27284 1 1925 . 1 1 182 182 ARG CB C 13 30.762 0.07 . . . . . . . 182 ARG CB . 27284 1 1926 . 1 1 182 182 ARG CG C 13 27.371 0.00 . . . . . . . 182 ARG CG . 27284 1 1927 . 1 1 182 182 ARG CD C 13 43.549 0.09 . . . . . . . 182 ARG CD . 27284 1 1928 . 1 1 182 182 ARG N N 15 122.609 0.02 . . . . . . . 182 ARG N . 27284 1 1929 . 1 1 183 183 GLY H H 1 8.602 0.01 . . . . . . . 183 GLY H . 27284 1 1930 . 1 1 183 183 GLY HA2 H 1 3.958 0.01 . . . . . . . 183 GLY HA2 . 27284 1 1931 . 1 1 183 183 GLY HA3 H 1 3.862 0.02 . . . . . . . 183 GLY HA3 . 27284 1 1932 . 1 1 183 183 GLY C C 13 173.815 0.02 . . . . . . . 183 GLY C . 27284 1 1933 . 1 1 183 183 GLY CA C 13 45.116 0.09 . . . . . . . 183 GLY CA . 27284 1 1934 . 1 1 183 183 GLY N N 15 110.971 0.01 . . . . . . . 183 GLY N . 27284 1 1935 . 1 1 184 184 ALA H H 1 8.227 0.01 . . . . . . . 184 ALA H . 27284 1 1936 . 1 1 184 184 ALA HA H 1 4.249 0.01 . . . . . . . 184 ALA HA . 27284 1 1937 . 1 1 184 184 ALA HB1 H 1 1.344 0.01 . . . . . . . 184 ALA HB . 27284 1 1938 . 1 1 184 184 ALA HB2 H 1 1.344 0.01 . . . . . . . 184 ALA HB . 27284 1 1939 . 1 1 184 184 ALA HB3 H 1 1.344 0.01 . . . . . . . 184 ALA HB . 27284 1 1940 . 1 1 184 184 ALA C C 13 177.812 0.02 . . . . . . . 184 ALA C . 27284 1 1941 . 1 1 184 184 ALA CA C 13 52.562 0.02 . . . . . . . 184 ALA CA . 27284 1 1942 . 1 1 184 184 ALA CB C 13 19.303 0.08 . . . . . . . 184 ALA CB . 27284 1 1943 . 1 1 184 184 ALA N N 15 123.848 0.01 . . . . . . . 184 ALA N . 27284 1 1944 . 1 1 185 185 GLU H H 1 8.547 0.01 . . . . . . . 185 GLU H . 27284 1 1945 . 1 1 185 185 GLU HA H 1 4.153 0.03 . . . . . . . 185 GLU HA . 27284 1 1946 . 1 1 185 185 GLU HB2 H 1 1.971 0.01 . . . . . . . 185 GLU HB2 . 27284 1 1947 . 1 1 185 185 GLU HB3 H 1 1.867 0.02 . . . . . . . 185 GLU HB3 . 27284 1 1948 . 1 1 185 185 GLU HG2 H 1 2.221 0.01 . . . . . . . 185 GLU HG2 . 27284 1 1949 . 1 1 185 185 GLU HG3 H 1 2.184 0.01 . . . . . . . 185 GLU HG3 . 27284 1 1950 . 1 1 185 185 GLU C C 13 176.109 0.00 . . . . . . . 185 GLU C . 27284 1 1951 . 1 1 185 185 GLU CA C 13 56.649 0.07 . . . . . . . 185 GLU CA . 27284 1 1952 . 1 1 185 185 GLU CB C 13 30.050 0.06 . . . . . . . 185 GLU CB . 27284 1 1953 . 1 1 185 185 GLU CG C 13 36.217 0.00 . . . . . . . 185 GLU CG . 27284 1 1954 . 1 1 185 185 GLU N N 15 119.617 0.02 . . . . . . . 185 GLU N . 27284 1 1955 . 1 1 186 186 ASN H H 1 8.370 0.01 . . . . . . . 186 ASN H . 27284 1 1956 . 1 1 186 186 ASN HA H 1 4.610 0.01 . . . . . . . 186 ASN HA . 27284 1 1957 . 1 1 186 186 ASN HB2 H 1 2.670 0.01 . . . . . . . 186 ASN HB2 . 27284 1 1958 . 1 1 186 186 ASN HB3 H 1 2.632 0.02 . . . . . . . 186 ASN HB3 . 27284 1 1959 . 1 1 186 186 ASN C C 13 174.611 0.01 . . . . . . . 186 ASN C . 27284 1 1960 . 1 1 186 186 ASN CA C 13 53.125 0.01 . . . . . . . 186 ASN CA . 27284 1 1961 . 1 1 186 186 ASN CB C 13 38.751 0.09 . . . . . . . 186 ASN CB . 27284 1 1962 . 1 1 186 186 ASN N N 15 119.175 0.02 . . . . . . . 186 ASN N . 27284 1 1963 . 1 1 187 187 LEU H H 1 8.086 0.01 . . . . . . . 187 LEU H . 27284 1 1964 . 1 1 187 187 LEU HA H 1 4.210 0.01 . . . . . . . 187 LEU HA . 27284 1 1965 . 1 1 187 187 LEU HB2 H 1 1.369 0.02 . . . . . . . 187 LEU HB2 . 27284 1 1966 . 1 1 187 187 LEU HB3 H 1 1.420 0.02 . . . . . . . 187 LEU HB3 . 27284 1 1967 . 1 1 187 187 LEU HD11 H 1 0.820 0.01 . . . . . . . 187 LEU HD1 . 27284 1 1968 . 1 1 187 187 LEU HD12 H 1 0.820 0.01 . . . . . . . 187 LEU HD1 . 27284 1 1969 . 1 1 187 187 LEU HD13 H 1 0.820 0.01 . . . . . . . 187 LEU HD1 . 27284 1 1970 . 1 1 187 187 LEU HD21 H 1 0.736 0.00 . . . . . . . 187 LEU HD2 . 27284 1 1971 . 1 1 187 187 LEU HD22 H 1 0.736 0.00 . . . . . . . 187 LEU HD2 . 27284 1 1972 . 1 1 187 187 LEU HD23 H 1 0.736 0.00 . . . . . . . 187 LEU HD2 . 27284 1 1973 . 1 1 187 187 LEU C C 13 175.962 0.02 . . . . . . . 187 LEU C . 27284 1 1974 . 1 1 187 187 LEU CA C 13 55.113 0.09 . . . . . . . 187 LEU CA . 27284 1 1975 . 1 1 187 187 LEU CB C 13 42.261 0.07 . . . . . . . 187 LEU CB . 27284 1 1976 . 1 1 187 187 LEU CG C 13 26.726 0.00 . . . . . . . 187 LEU CG . 27284 1 1977 . 1 1 187 187 LEU CD1 C 13 24.898 0.05 . . . . . . . 187 LEU CD1 . 27284 1 1978 . 1 1 187 187 LEU CD2 C 13 23.056 0.05 . . . . . . . 187 LEU CD2 . 27284 1 1979 . 1 1 187 187 LEU N N 15 122.628 0.03 . . . . . . . 187 LEU N . 27284 1 1980 . 1 1 188 188 TYR H H 1 7.569 0.01 . . . . . . . 188 TYR H . 27284 1 1981 . 1 1 188 188 TYR HA H 1 4.331 0.00 . . . . . . . 188 TYR HA . 27284 1 1982 . 1 1 188 188 TYR HB2 H 1 3.046 0.02 . . . . . . . 188 TYR HB2 . 27284 1 1983 . 1 1 188 188 TYR HB3 H 1 2.802 0.01 . . . . . . . 188 TYR HB3 . 27284 1 1984 . 1 1 188 188 TYR HD1 H 1 7.039 0.03 . . . . . . . 188 TYR HD . 27284 1 1985 . 1 1 188 188 TYR HD2 H 1 7.039 0.03 . . . . . . . 188 TYR HD . 27284 1 1986 . 1 1 188 188 TYR HE1 H 1 7.132 0.02 . . . . . . . 188 TYR HE . 27284 1 1987 . 1 1 188 188 TYR HE2 H 1 7.132 0.02 . . . . . . . 188 TYR HE . 27284 1 1988 . 1 1 188 188 TYR C C 13 180.397 0.00 . . . . . . . 188 TYR C . 27284 1 1989 . 1 1 188 188 TYR CA C 13 58.776 0.05 . . . . . . . 188 TYR CA . 27284 1 1990 . 1 1 188 188 TYR CB C 13 39.339 0.07 . . . . . . . 188 TYR CB . 27284 1 1991 . 1 1 188 188 TYR CD1 C 13 133.208 0.04 . . . . . . . 188 TYR CD . 27284 1 1992 . 1 1 188 188 TYR CD2 C 13 133.208 0.04 . . . . . . . 188 TYR CD . 27284 1 1993 . 1 1 188 188 TYR CE1 C 13 133.425 0.04 . . . . . . . 188 TYR CE . 27284 1 1994 . 1 1 188 188 TYR CE2 C 13 133.425 0.04 . . . . . . . 188 TYR CE . 27284 1 1995 . 1 1 188 188 TYR N N 15 124.641 0.02 . . . . . . . 188 TYR N . 27284 1 1996 . 1 1 189 189 PHE H H 1 8.217 0.00 . . . . . . . 189 PHE H . 27284 1 1997 . 1 1 189 189 PHE N N 15 119.720 0.00 . . . . . . . 189 PHE N . 27284 1 stop_ save_