data_11441 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11441 _Entry.Title ; NMR chemical shift of bryum coronatum chitinase ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-05-02 _Entry.Accession_date 2011-05-02 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Shoko Shinya . . . 11441 2 Takayuki Ohnuma . . . 11441 3 Toki Taira . . . 11441 4 Shigenori Nishimura . . . 11441 5 Tamo Fukamizo . . . 11441 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11441 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 578 11441 '15N chemical shifts' 192 11441 '1H chemical shifts' 192 11441 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 . . 2011-07-01 2011-05-02 update BMRB 'update entry citation' 11441 1 . . 2011-06-09 2011-05-02 original author 'original release' 11441 stop_ save_ ############### # Citations # ############### save_Citation_1 _Citation.Sf_category citations _Citation.Sf_framecode Citation_1 _Citation.Entry_ID 11441 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 21367878 _Citation.Full_citation . _Citation.Title 'Cloning and characterization of a small family 19 chitinase from moss (Bryum coronatum).' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Glycobiology _Citation.Journal_name_full Glycobiology _Citation.Journal_volume 21 _Citation.Journal_issue 5 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 644 _Citation.Page_last 654 _Citation.Year 2011 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Toki Taira . . . 11441 1 2 Yoko Mahoe . . . 11441 1 3 Noriko Kawamoto . . . 11441 1 4 Shoko Onaga . . . 11441 1 5 Hironori Iwasaki . . . 11441 1 6 Takayuki Ohnuma . . . 11441 1 7 Tamo Fukamizo . . . 11441 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11441 _Assembly.ID 1 _Assembly.Name 'Bryum coronatum chitinase' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 22654 _Assembly.Enzyme_commission_number 3.2.1.14 _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 'Bryum coronatum chitinase' 1 $BcChiA A . no native no no . . . 11441 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_BcChiA _Entity.Sf_category entity _Entity.Sf_framecode BcChiA _Entity.Entry_ID 11441 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Bryum coronatum chitinase' _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 ; QSWTSFVTPAVFEGWFPNRN PFYTYDGLVSASNGYPEFGT TGSLDDQKRELAAFLGNINQ ESGGLQFIQEQNPQSDYCDT SSTQYPCAAGKQYYGRGPIQ LSWNYNYGEAGADLGLDLLN NPDLVAQDSTVAWRTALWFW MKRDCHGAITASPPSFSGTI RIINGGLECNQPAGSIGNMQ MENRVTYYTQFCQTLGVDPG TDLRC ; _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 205 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all other bound' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 11466 . BcChi-A_E61A . . . . . 100.00 205 99.51 99.51 2.42e-148 . . . . 11441 1 2 no PDB 3WH1 . "Crystal Structure Of A Family Gh19 Chitinase From Bryum Coronatum In Complex With (glcnac)4 At 1.0 A Resolution" . . . . . 100.00 206 99.51 99.51 2.02e-148 . . . . 11441 1 3 no PDB 4IJ4 . "Crystal Structure Of A Family Gh19 Chitinase From Bryum Coronatum In Complex With (glcnac)4" . . . . . 99.51 205 98.04 98.04 3.51e-144 . . . . 11441 1 4 no DBJ BAF99002 . "chitinase A [Bryum coronatum]" . . . . . 100.00 228 100.00 100.00 1.72e-150 . . . . 11441 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLN . 11441 1 2 . SER . 11441 1 3 . TRP . 11441 1 4 . THR . 11441 1 5 . SER . 11441 1 6 . PHE . 11441 1 7 . VAL . 11441 1 8 . THR . 11441 1 9 . PRO . 11441 1 10 . ALA . 11441 1 11 . VAL . 11441 1 12 . PHE . 11441 1 13 . GLU . 11441 1 14 . GLY . 11441 1 15 . TRP . 11441 1 16 . PHE . 11441 1 17 . PRO . 11441 1 18 . ASN . 11441 1 19 . ARG . 11441 1 20 . ASN . 11441 1 21 . PRO . 11441 1 22 . PHE . 11441 1 23 . TYR . 11441 1 24 . THR . 11441 1 25 . TYR . 11441 1 26 . ASP . 11441 1 27 . GLY . 11441 1 28 . LEU . 11441 1 29 . VAL . 11441 1 30 . SER . 11441 1 31 . ALA . 11441 1 32 . SER . 11441 1 33 . ASN . 11441 1 34 . GLY . 11441 1 35 . TYR . 11441 1 36 . PRO . 11441 1 37 . GLU . 11441 1 38 . PHE . 11441 1 39 . GLY . 11441 1 40 . THR . 11441 1 41 . THR . 11441 1 42 . GLY . 11441 1 43 . SER . 11441 1 44 . LEU . 11441 1 45 . ASP . 11441 1 46 . ASP . 11441 1 47 . GLN . 11441 1 48 . LYS . 11441 1 49 . ARG . 11441 1 50 . GLU . 11441 1 51 . LEU . 11441 1 52 . ALA . 11441 1 53 . ALA . 11441 1 54 . PHE . 11441 1 55 . LEU . 11441 1 56 . GLY . 11441 1 57 . ASN . 11441 1 58 . ILE . 11441 1 59 . ASN . 11441 1 60 . GLN . 11441 1 61 . GLU . 11441 1 62 . SER . 11441 1 63 . GLY . 11441 1 64 . GLY . 11441 1 65 . LEU . 11441 1 66 . GLN . 11441 1 67 . PHE . 11441 1 68 . ILE . 11441 1 69 . GLN . 11441 1 70 . GLU . 11441 1 71 . GLN . 11441 1 72 . ASN . 11441 1 73 . PRO . 11441 1 74 . GLN . 11441 1 75 . SER . 11441 1 76 . ASP . 11441 1 77 . TYR . 11441 1 78 . CYS . 11441 1 79 . ASP . 11441 1 80 . THR . 11441 1 81 . SER . 11441 1 82 . SER . 11441 1 83 . THR . 11441 1 84 . GLN . 11441 1 85 . TYR . 11441 1 86 . PRO . 11441 1 87 . CYS . 11441 1 88 . ALA . 11441 1 89 . ALA . 11441 1 90 . GLY . 11441 1 91 . LYS . 11441 1 92 . GLN . 11441 1 93 . TYR . 11441 1 94 . TYR . 11441 1 95 . GLY . 11441 1 96 . ARG . 11441 1 97 . GLY . 11441 1 98 . PRO . 11441 1 99 . ILE . 11441 1 100 . GLN . 11441 1 101 . LEU . 11441 1 102 . SER . 11441 1 103 . TRP . 11441 1 104 . ASN . 11441 1 105 . TYR . 11441 1 106 . ASN . 11441 1 107 . TYR . 11441 1 108 . GLY . 11441 1 109 . GLU . 11441 1 110 . ALA . 11441 1 111 . GLY . 11441 1 112 . ALA . 11441 1 113 . ASP . 11441 1 114 . LEU . 11441 1 115 . GLY . 11441 1 116 . LEU . 11441 1 117 . ASP . 11441 1 118 . LEU . 11441 1 119 . LEU . 11441 1 120 . ASN . 11441 1 121 . ASN . 11441 1 122 . PRO . 11441 1 123 . ASP . 11441 1 124 . LEU . 11441 1 125 . VAL . 11441 1 126 . ALA . 11441 1 127 . GLN . 11441 1 128 . ASP . 11441 1 129 . SER . 11441 1 130 . THR . 11441 1 131 . VAL . 11441 1 132 . ALA . 11441 1 133 . TRP . 11441 1 134 . ARG . 11441 1 135 . THR . 11441 1 136 . ALA . 11441 1 137 . LEU . 11441 1 138 . TRP . 11441 1 139 . PHE . 11441 1 140 . TRP . 11441 1 141 . MET . 11441 1 142 . LYS . 11441 1 143 . ARG . 11441 1 144 . ASP . 11441 1 145 . CYS . 11441 1 146 . HIS . 11441 1 147 . GLY . 11441 1 148 . ALA . 11441 1 149 . ILE . 11441 1 150 . THR . 11441 1 151 . ALA . 11441 1 152 . SER . 11441 1 153 . PRO . 11441 1 154 . PRO . 11441 1 155 . SER . 11441 1 156 . PHE . 11441 1 157 . SER . 11441 1 158 . GLY . 11441 1 159 . THR . 11441 1 160 . ILE . 11441 1 161 . ARG . 11441 1 162 . ILE . 11441 1 163 . ILE . 11441 1 164 . ASN . 11441 1 165 . GLY . 11441 1 166 . GLY . 11441 1 167 . LEU . 11441 1 168 . GLU . 11441 1 169 . CYS . 11441 1 170 . ASN . 11441 1 171 . GLN . 11441 1 172 . PRO . 11441 1 173 . ALA . 11441 1 174 . GLY . 11441 1 175 . SER . 11441 1 176 . ILE . 11441 1 177 . GLY . 11441 1 178 . ASN . 11441 1 179 . MET . 11441 1 180 . GLN . 11441 1 181 . MET . 11441 1 182 . GLU . 11441 1 183 . ASN . 11441 1 184 . ARG . 11441 1 185 . VAL . 11441 1 186 . THR . 11441 1 187 . TYR . 11441 1 188 . TYR . 11441 1 189 . THR . 11441 1 190 . GLN . 11441 1 191 . PHE . 11441 1 192 . CYS . 11441 1 193 . GLN . 11441 1 194 . THR . 11441 1 195 . LEU . 11441 1 196 . GLY . 11441 1 197 . VAL . 11441 1 198 . ASP . 11441 1 199 . PRO . 11441 1 200 . GLY . 11441 1 201 . THR . 11441 1 202 . ASP . 11441 1 203 . LEU . 11441 1 204 . ARG . 11441 1 205 . CYS . 11441 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 . GLN 1 1 11441 1 . SER 2 2 11441 1 . TRP 3 3 11441 1 . THR 4 4 11441 1 . SER 5 5 11441 1 . PHE 6 6 11441 1 . VAL 7 7 11441 1 . THR 8 8 11441 1 . PRO 9 9 11441 1 . ALA 10 10 11441 1 . VAL 11 11 11441 1 . PHE 12 12 11441 1 . GLU 13 13 11441 1 . GLY 14 14 11441 1 . TRP 15 15 11441 1 . PHE 16 16 11441 1 . PRO 17 17 11441 1 . ASN 18 18 11441 1 . ARG 19 19 11441 1 . ASN 20 20 11441 1 . PRO 21 21 11441 1 . PHE 22 22 11441 1 . TYR 23 23 11441 1 . THR 24 24 11441 1 . TYR 25 25 11441 1 . ASP 26 26 11441 1 . GLY 27 27 11441 1 . LEU 28 28 11441 1 . VAL 29 29 11441 1 . SER 30 30 11441 1 . ALA 31 31 11441 1 . SER 32 32 11441 1 . ASN 33 33 11441 1 . GLY 34 34 11441 1 . TYR 35 35 11441 1 . PRO 36 36 11441 1 . GLU 37 37 11441 1 . PHE 38 38 11441 1 . GLY 39 39 11441 1 . THR 40 40 11441 1 . THR 41 41 11441 1 . GLY 42 42 11441 1 . SER 43 43 11441 1 . LEU 44 44 11441 1 . ASP 45 45 11441 1 . ASP 46 46 11441 1 . GLN 47 47 11441 1 . LYS 48 48 11441 1 . ARG 49 49 11441 1 . GLU 50 50 11441 1 . LEU 51 51 11441 1 . ALA 52 52 11441 1 . ALA 53 53 11441 1 . PHE 54 54 11441 1 . LEU 55 55 11441 1 . GLY 56 56 11441 1 . ASN 57 57 11441 1 . ILE 58 58 11441 1 . ASN 59 59 11441 1 . GLN 60 60 11441 1 . GLU 61 61 11441 1 . SER 62 62 11441 1 . GLY 63 63 11441 1 . GLY 64 64 11441 1 . LEU 65 65 11441 1 . GLN 66 66 11441 1 . PHE 67 67 11441 1 . ILE 68 68 11441 1 . GLN 69 69 11441 1 . GLU 70 70 11441 1 . GLN 71 71 11441 1 . ASN 72 72 11441 1 . PRO 73 73 11441 1 . GLN 74 74 11441 1 . SER 75 75 11441 1 . ASP 76 76 11441 1 . TYR 77 77 11441 1 . CYS 78 78 11441 1 . ASP 79 79 11441 1 . THR 80 80 11441 1 . SER 81 81 11441 1 . SER 82 82 11441 1 . THR 83 83 11441 1 . GLN 84 84 11441 1 . TYR 85 85 11441 1 . PRO 86 86 11441 1 . CYS 87 87 11441 1 . ALA 88 88 11441 1 . ALA 89 89 11441 1 . GLY 90 90 11441 1 . LYS 91 91 11441 1 . GLN 92 92 11441 1 . TYR 93 93 11441 1 . TYR 94 94 11441 1 . GLY 95 95 11441 1 . ARG 96 96 11441 1 . GLY 97 97 11441 1 . PRO 98 98 11441 1 . ILE 99 99 11441 1 . GLN 100 100 11441 1 . LEU 101 101 11441 1 . SER 102 102 11441 1 . TRP 103 103 11441 1 . ASN 104 104 11441 1 . TYR 105 105 11441 1 . ASN 106 106 11441 1 . TYR 107 107 11441 1 . GLY 108 108 11441 1 . GLU 109 109 11441 1 . ALA 110 110 11441 1 . GLY 111 111 11441 1 . ALA 112 112 11441 1 . ASP 113 113 11441 1 . LEU 114 114 11441 1 . GLY 115 115 11441 1 . LEU 116 116 11441 1 . ASP 117 117 11441 1 . LEU 118 118 11441 1 . LEU 119 119 11441 1 . ASN 120 120 11441 1 . ASN 121 121 11441 1 . PRO 122 122 11441 1 . ASP 123 123 11441 1 . LEU 124 124 11441 1 . VAL 125 125 11441 1 . ALA 126 126 11441 1 . GLN 127 127 11441 1 . ASP 128 128 11441 1 . SER 129 129 11441 1 . THR 130 130 11441 1 . VAL 131 131 11441 1 . ALA 132 132 11441 1 . TRP 133 133 11441 1 . ARG 134 134 11441 1 . THR 135 135 11441 1 . ALA 136 136 11441 1 . LEU 137 137 11441 1 . TRP 138 138 11441 1 . PHE 139 139 11441 1 . TRP 140 140 11441 1 . MET 141 141 11441 1 . LYS 142 142 11441 1 . ARG 143 143 11441 1 . ASP 144 144 11441 1 . CYS 145 145 11441 1 . HIS 146 146 11441 1 . GLY 147 147 11441 1 . ALA 148 148 11441 1 . ILE 149 149 11441 1 . THR 150 150 11441 1 . ALA 151 151 11441 1 . SER 152 152 11441 1 . PRO 153 153 11441 1 . PRO 154 154 11441 1 . SER 155 155 11441 1 . PHE 156 156 11441 1 . SER 157 157 11441 1 . GLY 158 158 11441 1 . THR 159 159 11441 1 . ILE 160 160 11441 1 . ARG 161 161 11441 1 . ILE 162 162 11441 1 . ILE 163 163 11441 1 . ASN 164 164 11441 1 . GLY 165 165 11441 1 . GLY 166 166 11441 1 . LEU 167 167 11441 1 . GLU 168 168 11441 1 . CYS 169 169 11441 1 . ASN 170 170 11441 1 . GLN 171 171 11441 1 . PRO 172 172 11441 1 . ALA 173 173 11441 1 . GLY 174 174 11441 1 . SER 175 175 11441 1 . ILE 176 176 11441 1 . GLY 177 177 11441 1 . ASN 178 178 11441 1 . MET 179 179 11441 1 . GLN 180 180 11441 1 . MET 181 181 11441 1 . GLU 182 182 11441 1 . ASN 183 183 11441 1 . ARG 184 184 11441 1 . VAL 185 185 11441 1 . THR 186 186 11441 1 . TYR 187 187 11441 1 . TYR 188 188 11441 1 . THR 189 189 11441 1 . GLN 190 190 11441 1 . PHE 191 191 11441 1 . CYS 192 192 11441 1 . GLN 193 193 11441 1 . THR 194 194 11441 1 . LEU 195 195 11441 1 . GLY 196 196 11441 1 . VAL 197 197 11441 1 . ASP 198 198 11441 1 . PRO 199 199 11441 1 . GLY 200 200 11441 1 . THR 201 201 11441 1 . ASP 202 202 11441 1 . LEU 203 203 11441 1 . ARG 204 204 11441 1 . CYS 205 205 11441 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 11441 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $BcChiA . 216087 organism . 'Bryum coronatum' Moss . . Eukaryota Viridiplantae Bryum coronatum . . . . . . . . . . . . . . . . . . . . . 11441 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 11441 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $BcChiA . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET-22b . . . . . . 11441 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11441 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 BcChiA '[U-99% 13C; U-99% 15N]' . . 1 $BcChiA . . 0.4 . . mM . . . . 11441 1 2 'sodium acetate' 'natural abundance' . . . . . . 50 . . mM . . . . 11441 1 3 H2O 'natural abundance' . . . . . . 90 . . % . . . . 11441 1 4 D2O 'natural abundance' . . . . . . 10 . . % . . . . 11441 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 11441 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 5.0 . pH 11441 1 pressure 1 . atm 11441 1 temperature 300 . K 11441 1 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 11441 _Software.ID 1 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 11441 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 11441 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 11441 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 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 11441 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 500 . . . 11441 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 11441 _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 . . . . . . . . . . . . . . . . 11441 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11441 1 3 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11441 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11441 1 5 '3D HNCACO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11441 1 6 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11441 1 7 '3D HNCOCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11441 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 11441 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.251449530 . . . . . . . . . 11441 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 11441 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 11441 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 11441 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 11441 1 2 '3D CBCA(CO)NH' . . . 11441 1 3 '3D HNCO' . . . 11441 1 4 '3D HNCACB' . . . 11441 1 5 '3D HNCACO' . . . 11441 1 6 '3D HNCA' . . . 11441 1 7 '3D HNCOCA' . . . 11441 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 GLN H H 1 8.892 0.002 . 1 . . . . 1 Q HN . 11441 1 2 . 1 1 1 1 GLN C C 13 176.222 0.004 . 1 . . . . 1 Q CO . 11441 1 3 . 1 1 1 1 GLN CA C 13 55.215 0.079 . 1 . . . . 1 Q CA . 11441 1 4 . 1 1 1 1 GLN CB C 13 30.366 0.069 . 1 . . . . 1 Q CB . 11441 1 5 . 1 1 1 1 GLN N N 15 122.957 0.074 . 1 . . . . 1 Q N . 11441 1 6 . 1 1 2 2 SER H H 1 8.658 0.003 . 1 . . . . 2 S HN . 11441 1 7 . 1 1 2 2 SER C C 13 176.146 0 . 1 . . . . 2 S CO . 11441 1 8 . 1 1 2 2 SER CA C 13 58.976 0.051 . 1 . . . . 2 S CA . 11441 1 9 . 1 1 2 2 SER CB C 13 62.79 0.032 . 1 . . . . 2 S CB . 11441 1 10 . 1 1 2 2 SER N N 15 116.706 0.072 . 1 . . . . 2 S N . 11441 1 11 . 1 1 3 3 TRP H H 1 7.063 0.003 . 1 . . . . 3 W HN . 11441 1 12 . 1 1 3 3 TRP C C 13 177.578 0.012 . 1 . . . . 3 W CO . 11441 1 13 . 1 1 3 3 TRP CA C 13 56.923 0.06 . 1 . . . . 3 W CA . 11441 1 14 . 1 1 3 3 TRP CB C 13 28.053 0.097 . 1 . . . . 3 W CB . 11441 1 15 . 1 1 3 3 TRP N N 15 123.227 0.088 . 1 . . . . 3 W N . 11441 1 16 . 1 1 4 4 THR H H 1 6.733 0.004 . 1 . . . . 4 T HN . 11441 1 17 . 1 1 4 4 THR C C 13 174.519 0.014 . 1 . . . . 4 T CO . 11441 1 18 . 1 1 4 4 THR CA C 13 62.662 0.068 . 1 . . . . 4 T CA . 11441 1 19 . 1 1 4 4 THR CB C 13 68.631 0.058 . 1 . . . . 4 T CB . 11441 1 20 . 1 1 4 4 THR N N 15 114.06 0.066 . 1 . . . . 4 T N . 11441 1 21 . 1 1 5 5 SER H H 1 7.245 0.005 . 1 . . . . 5 S HN . 11441 1 22 . 1 1 5 5 SER C C 13 174.598 0.007 . 1 . . . . 5 S CO . 11441 1 23 . 1 1 5 5 SER CA C 13 60.238 0.024 . 1 . . . . 5 S CA . 11441 1 24 . 1 1 5 5 SER CB C 13 63.556 0.091 . 1 . . . . 5 S CB . 11441 1 25 . 1 1 5 5 SER N N 15 114.332 0.078 . 1 . . . . 5 S N . 11441 1 26 . 1 1 6 6 PHE H H 1 6.783 0.005 . 1 . . . . 6 F HN . 11441 1 27 . 1 1 6 6 PHE C C 13 176.185 0 . 1 . . . . 6 F CO . 11441 1 28 . 1 1 6 6 PHE CA C 13 56.674 0.076 . 1 . . . . 6 F CA . 11441 1 29 . 1 1 6 6 PHE CB C 13 39.695 0.011 . 1 . . . . 6 F CB . 11441 1 30 . 1 1 6 6 PHE N N 15 114.445 0.066 . 1 . . . . 6 F N . 11441 1 31 . 1 1 7 7 VAL H H 1 7.866 0.002 . 1 . . . . 7 V HN . 11441 1 32 . 1 1 7 7 VAL C C 13 173.594 0.001 . 1 . . . . 7 V CO . 11441 1 33 . 1 1 7 7 VAL CA C 13 62.939 0.049 . 1 . . . . 7 V CA . 11441 1 34 . 1 1 7 7 VAL CB C 13 29.607 0.078 . 1 . . . . 7 V CB . 11441 1 35 . 1 1 7 7 VAL N N 15 125.377 0.067 . 1 . . . . 7 V N . 11441 1 36 . 1 1 8 8 THR H H 1 6.23 0.004 . 1 . . . . 8 T HN . 11441 1 37 . 1 1 8 8 THR CA C 13 59.335 0.015 . 1 . . . . 8 T CA . 11441 1 38 . 1 1 8 8 THR CB C 13 67.939 0 . 1 . . . . 8 T CB . 11441 1 39 . 1 1 8 8 THR N N 15 114.873 0.066 . 1 . . . . 8 T N . 11441 1 40 . 1 1 9 9 PRO C C 13 177.922 0 . 1 . . . . 9 P CO . 11441 1 41 . 1 1 9 9 PRO CA C 13 65.894 0.059 . 1 . . . . 9 P CA . 11441 1 42 . 1 1 9 9 PRO CB C 13 30.484 0 . 1 . . . . 9 P CB . 11441 1 43 . 1 1 10 10 ALA H H 1 7.499 0.002 . 1 . . . . 10 A HN . 11441 1 44 . 1 1 10 10 ALA C C 13 181.041 0 . 1 . . . . 10 A CO . 11441 1 45 . 1 1 10 10 ALA CA C 13 54.841 0.097 . 1 . . . . 10 A CA . 11441 1 46 . 1 1 10 10 ALA CB C 13 18.219 0.077 . 1 . . . . 10 A CB . 11441 1 47 . 1 1 10 10 ALA N N 15 116.418 0.065 . 1 . . . . 10 A N . 11441 1 48 . 1 1 11 11 VAL H H 1 7.208 0.004 . 1 . . . . 11 V HN . 11441 1 49 . 1 1 11 11 VAL C C 13 177.251 0.014 . 1 . . . . 11 V CO . 11441 1 50 . 1 1 11 11 VAL CA C 13 65.085 0.023 . 1 . . . . 11 V CA . 11441 1 51 . 1 1 11 11 VAL CB C 13 31.474 0.044 . 1 . . . . 11 V CB . 11441 1 52 . 1 1 11 11 VAL N N 15 121.165 0.078 . 1 . . . . 11 V N . 11441 1 53 . 1 1 12 12 PHE H H 1 7.87 0.004 . 1 . . . . 12 F HN . 11441 1 54 . 1 1 12 12 PHE C C 13 176.231 0.01 . 1 . . . . 12 F CO . 11441 1 55 . 1 1 12 12 PHE CA C 13 62.297 0.058 . 1 . . . . 12 F CA . 11441 1 56 . 1 1 12 12 PHE CB C 13 40.656 0.071 . 1 . . . . 12 F CB . 11441 1 57 . 1 1 12 12 PHE N N 15 119.124 0.045 . 1 . . . . 12 F N . 11441 1 58 . 1 1 13 13 GLU H H 1 8.529 0.002 . 1 . . . . 13 E HN . 11441 1 59 . 1 1 13 13 GLU C C 13 178.683 0.008 . 1 . . . . 13 E CO . 11441 1 60 . 1 1 13 13 GLU CA C 13 58.922 0.089 . 1 . . . . 13 E CA . 11441 1 61 . 1 1 13 13 GLU CB C 13 28.85 0.061 . 1 . . . . 13 E CB . 11441 1 62 . 1 1 13 13 GLU N N 15 117.069 0.097 . 1 . . . . 13 E N . 11441 1 63 . 1 1 14 14 GLY H H 1 7.485 0.004 . 1 . . . . 14 G HN . 11441 1 64 . 1 1 14 14 GLY C C 13 176.355 0.008 . 1 . . . . 14 G CO . 11441 1 65 . 1 1 14 14 GLY CA C 13 46.089 0.053 . 1 . . . . 14 G CA . 11441 1 66 . 1 1 14 14 GLY N N 15 103.988 0.058 . 1 . . . . 14 G N . 11441 1 67 . 1 1 15 15 TRP H H 1 7.558 0.003 . 1 . . . . 15 W HN . 11441 1 68 . 1 1 15 15 TRP C C 13 176.592 0 . 1 . . . . 15 W CO . 11441 1 69 . 1 1 15 15 TRP CA C 13 55.811 0.027 . 1 . . . . 15 W CA . 11441 1 70 . 1 1 15 15 TRP CB C 13 30.414 0.057 . 1 . . . . 15 W CB . 11441 1 71 . 1 1 15 15 TRP N N 15 121.088 0.055 . 1 . . . . 15 W N . 11441 1 72 . 1 1 16 16 PHE H H 1 7.419 0.002 . 1 . . . . 16 F HN . 11441 1 73 . 1 1 16 16 PHE CA C 13 55.632 0 . 1 . . . . 16 F CA . 11441 1 74 . 1 1 16 16 PHE CB C 13 39.664 0 . 1 . . . . 16 F CB . 11441 1 75 . 1 1 16 16 PHE N N 15 114.519 0.035 . 1 . . . . 16 F N . 11441 1 76 . 1 1 17 17 PRO C C 13 177.545 0 . 1 . . . . 17 P CO . 11441 1 77 . 1 1 17 17 PRO CA C 13 64.947 0.047 . 1 . . . . 17 P CA . 11441 1 78 . 1 1 17 17 PRO CB C 13 31.983 0.027 . 1 . . . . 17 P CB . 11441 1 79 . 1 1 18 18 ASN H H 1 8.412 0.005 . 1 . . . . 18 N HN . 11441 1 80 . 1 1 18 18 ASN C C 13 173.991 0.016 . 1 . . . . 18 N CO . 11441 1 81 . 1 1 18 18 ASN CA C 13 52.054 0.045 . 1 . . . . 18 N CA . 11441 1 82 . 1 1 18 18 ASN CB C 13 39.076 0.076 . 1 . . . . 18 N CB . 11441 1 83 . 1 1 18 18 ASN N N 15 117.208 0.033 . 1 . . . . 18 N N . 11441 1 84 . 1 1 19 19 ARG H H 1 6.8 0.003 . 1 . . . . 19 R HN . 11441 1 85 . 1 1 19 19 ARG C C 13 175.34 0.006 . 1 . . . . 19 R CO . 11441 1 86 . 1 1 19 19 ARG CA C 13 54.782 0.091 . 1 . . . . 19 R CA . 11441 1 87 . 1 1 19 19 ARG CB C 13 31.472 0.035 . 1 . . . . 19 R CB . 11441 1 88 . 1 1 19 19 ARG N N 15 116.117 0.056 . 1 . . . . 19 R N . 11441 1 89 . 1 1 20 20 ASN H H 1 8.763 0.002 . 1 . . . . 20 N HN . 11441 1 90 . 1 1 20 20 ASN C C 13 175.191 0 . 1 . . . . 20 N CO . 11441 1 91 . 1 1 20 20 ASN CA C 13 52.008 0.02 . 1 . . . . 20 N CA . 11441 1 92 . 1 1 20 20 ASN CB C 13 39.624 0 . 1 . . . . 20 N CB . 11441 1 93 . 1 1 20 20 ASN N N 15 124.191 0.065 . 1 . . . . 20 N N . 11441 1 94 . 1 1 21 21 PRO C C 13 175.975 0 . 1 . . . . 21 P CO . 11441 1 95 . 1 1 21 21 PRO CA C 13 64.341 0.022 . 1 . . . . 21 P CA . 11441 1 96 . 1 1 21 21 PRO CB C 13 31.797 0.013 . 1 . . . . 21 P CB . 11441 1 97 . 1 1 22 22 PHE H H 1 8.624 0.002 . 1 . . . . 22 F HN . 11441 1 98 . 1 1 22 22 PHE CA C 13 60.671 0.065 . 1 . . . . 22 F CA . 11441 1 99 . 1 1 22 22 PHE CB C 13 42.37 0.059 . 1 . . . . 22 F CB . 11441 1 100 . 1 1 22 22 PHE N N 15 119.816 0.041 . 1 . . . . 22 F N . 11441 1 101 . 1 1 23 23 TYR H H 1 8.186 0.003 . 1 . . . . 23 F HN . 11441 1 102 . 1 1 23 23 TYR C C 13 176.066 0 . 1 . . . . 23 F CO . 11441 1 103 . 1 1 23 23 TYR CA C 13 58.585 0.004 . 1 . . . . 23 F CA . 11441 1 104 . 1 1 23 23 TYR CB C 13 39.953 0.069 . 1 . . . . 23 F CB . 11441 1 105 . 1 1 23 23 TYR N N 15 113.76 0.048 . 1 . . . . 23 F N . 11441 1 106 . 1 1 24 24 THR H H 1 8.912 0.003 . 1 . . . . 24 T HN . 11441 1 107 . 1 1 24 24 THR C C 13 174.261 0 . 1 . . . . 24 T CO . 11441 1 108 . 1 1 24 24 THR CA C 13 58.206 0.074 . 1 . . . . 24 T CA . 11441 1 109 . 1 1 24 24 THR CB C 13 71.989 0.013 . 1 . . . . 24 T CB . 11441 1 110 . 1 1 24 24 THR N N 15 113.116 0.055 . 1 . . . . 24 T N . 11441 1 111 . 1 1 25 25 TYR H H 1 9.05 0.003 . 1 . . . . 25 Y HN . 11441 1 112 . 1 1 25 25 TYR C C 13 176.579 0.005 . 1 . . . . 25 Y CO . 11441 1 113 . 1 1 25 25 TYR CA C 13 60.814 0.048 . 1 . . . . 25 Y CA . 11441 1 114 . 1 1 25 25 TYR CB C 13 38.306 0.099 . 1 . . . . 25 Y CB . 11441 1 115 . 1 1 25 25 TYR N N 15 124.281 0.062 . 1 . . . . 25 Y N . 11441 1 116 . 1 1 26 26 ASP H H 1 8.404 0.004 . 1 . . . . 26 D HN . 11441 1 117 . 1 1 26 26 ASP C C 13 178.676 0.004 . 1 . . . . 26 D CO . 11441 1 118 . 1 1 26 26 ASP CA C 13 56.739 0.076 . 1 . . . . 26 D CA . 11441 1 119 . 1 1 26 26 ASP CB C 13 40.003 0.039 . 1 . . . . 26 D CB . 11441 1 120 . 1 1 26 26 ASP N N 15 115.571 0.059 . 1 . . . . 26 D N . 11441 1 121 . 1 1 27 27 GLY H H 1 7.881 0.007 . 1 . . . . 27 G HN . 11441 1 122 . 1 1 27 27 GLY C C 13 174.654 0.006 . 1 . . . . 27 G CO . 11441 1 123 . 1 1 27 27 GLY CA C 13 46.918 0.073 . 1 . . . . 27 G CA . 11441 1 124 . 1 1 27 27 GLY N N 15 108.549 0.067 . 1 . . . . 27 G N . 11441 1 125 . 1 1 28 28 LEU H H 1 6.357 0.004 . 1 . . . . 28 L HN . 11441 1 126 . 1 1 28 28 LEU C C 13 178.186 0.012 . 1 . . . . 28 L CO . 11441 1 127 . 1 1 28 28 LEU CA C 13 57.451 0.046 . 1 . . . . 28 L CA . 11441 1 128 . 1 1 28 28 LEU CB C 13 38.557 0.009 . 1 . . . . 28 L CB . 11441 1 129 . 1 1 28 28 LEU N N 15 124.786 0.085 . 1 . . . . 28 L N . 11441 1 130 . 1 1 29 29 VAL H H 1 7.735 0.004 . 1 . . . . 29 V HN . 11441 1 131 . 1 1 29 29 VAL C C 13 179.795 0.007 . 1 . . . . 29 V CO . 11441 1 132 . 1 1 29 29 VAL CA C 13 66.936 0.029 . 1 . . . . 29 V CA . 11441 1 133 . 1 1 29 29 VAL CB C 13 31.339 0 . 1 . . . . 29 V CB . 11441 1 134 . 1 1 29 29 VAL N N 15 119.441 0.079 . 1 . . . . 29 V N . 11441 1 135 . 1 1 30 30 SER H H 1 8.236 0.003 . 1 . . . . 30 S HN . 11441 1 136 . 1 1 30 30 SER C C 13 177.932 0.013 . 1 . . . . 30 S CO . 11441 1 137 . 1 1 30 30 SER CA C 13 61.251 0.023 . 1 . . . . 30 S CA . 11441 1 138 . 1 1 30 30 SER CB C 13 62.913 0.037 . 1 . . . . 30 S CB . 11441 1 139 . 1 1 30 30 SER N N 15 114.456 0.076 . 1 . . . . 30 S N . 11441 1 140 . 1 1 31 31 ALA H H 1 8.417 0.003 . 1 . . . . 31 A HN . 11441 1 141 . 1 1 31 31 ALA C C 13 180.206 0.008 . 1 . . . . 31 A CO . 11441 1 142 . 1 1 31 31 ALA CA C 13 54.68 0.064 . 1 . . . . 31 A CA . 11441 1 143 . 1 1 31 31 ALA CB C 13 20.353 0.055 . 1 . . . . 31 A CB . 11441 1 144 . 1 1 31 31 ALA N N 15 122.894 0.068 . 1 . . . . 31 A N . 11441 1 145 . 1 1 32 32 SER H H 1 8.433 0.003 . 1 . . . . 32 S HN . 11441 1 146 . 1 1 32 32 SER C C 13 175.888 0 . 1 . . . . 32 S CO . 11441 1 147 . 1 1 32 32 SER CA C 13 61.974 0.126 . 1 . . . . 32 S CA . 11441 1 148 . 1 1 32 32 SER N N 15 114.627 0.05 . 1 . . . . 32 S N . 11441 1 149 . 1 1 33 33 ASN H H 1 7.559 0.004 . 1 . . . . 33 N HN . 11441 1 150 . 1 1 33 33 ASN C C 13 176.869 0.032 . 1 . . . . 33 N CO . 11441 1 151 . 1 1 33 33 ASN CA C 13 55.396 0.095 . 1 . . . . 33 N CA . 11441 1 152 . 1 1 33 33 ASN CB C 13 37.98 0.044 . 1 . . . . 33 N CB . 11441 1 153 . 1 1 33 33 ASN N N 15 121.105 0.069 . 1 . . . . 33 N N . 11441 1 154 . 1 1 34 34 GLY H H 1 7.51 0.003 . 1 . . . . 34 G HN . 11441 1 155 . 1 1 34 34 GLY C C 13 172.577 0.004 . 1 . . . . 34 G CO . 11441 1 156 . 1 1 34 34 GLY CA C 13 44.981 0.067 . 1 . . . . 34 G CA . 11441 1 157 . 1 1 34 34 GLY N N 15 103.406 0.058 . 1 . . . . 34 G N . 11441 1 158 . 1 1 35 35 TYR H H 1 7.5 0.003 . 1 . . . . 35 Y HN . 11441 1 159 . 1 1 35 35 TYR C C 13 173.216 0 . 1 . . . . 35 Y CO . 11441 1 160 . 1 1 35 35 TYR CA C 13 55.882 0.011 . 1 . . . . 35 Y CA . 11441 1 161 . 1 1 35 35 TYR CB C 13 40.262 0 . 1 . . . . 35 Y CB . 11441 1 162 . 1 1 35 35 TYR N N 15 117.758 0.052 . 1 . . . . 35 Y N . 11441 1 163 . 1 1 36 36 PRO C C 13 177.336 0.014 . 1 . . . . 36 P CO . 11441 1 164 . 1 1 36 36 PRO CA C 13 65 0.018 . 1 . . . . 36 P CA . 11441 1 165 . 1 1 36 36 PRO CB C 13 31.967 0.06 . 1 . . . . 36 P CB . 11441 1 166 . 1 1 37 37 GLU H H 1 9.081 0.003 . 1 . . . . 37 E HN . 11441 1 167 . 1 1 37 37 GLU C C 13 179.04 0.007 . 1 . . . . 37 E CO . 11441 1 168 . 1 1 37 37 GLU CA C 13 57.735 0.027 . 1 . . . . 37 E CA . 11441 1 169 . 1 1 37 37 GLU CB C 13 28.931 0.067 . 1 . . . . 37 E CB . 11441 1 170 . 1 1 37 37 GLU N N 15 114.17 0.067 . 1 . . . . 37 E N . 11441 1 171 . 1 1 38 38 PHE H H 1 8.417 0.004 . 1 . . . . 38 F HN . 11441 1 172 . 1 1 38 38 PHE C C 13 175.567 0.017 . 1 . . . . 38 F CO . 11441 1 173 . 1 1 38 38 PHE CA C 13 59.506 0.096 . 1 . . . . 38 F CA . 11441 1 174 . 1 1 38 38 PHE CB C 13 37.336 0.046 . 1 . . . . 38 F CB . 11441 1 175 . 1 1 38 38 PHE N N 15 123.77 0.08 . 1 . . . . 38 F N . 11441 1 176 . 1 1 39 39 GLY H H 1 8.473 0.009 . 1 . . . . 39 G HN . 11441 1 177 . 1 1 39 39 GLY C C 13 172.863 0.009 . 1 . . . . 39 G CO . 11441 1 178 . 1 1 39 39 GLY CA C 13 46.864 0.042 . 1 . . . . 39 G CA . 11441 1 179 . 1 1 39 39 GLY N N 15 117.18 0.081 . 1 . . . . 39 G N . 11441 1 180 . 1 1 40 40 THR H H 1 7.185 0.003 . 1 . . . . 40 T HN . 11441 1 181 . 1 1 40 40 THR C C 13 174.29 0.016 . 1 . . . . 40 T CO . 11441 1 182 . 1 1 40 40 THR CA C 13 60.912 0.085 . 1 . . . . 40 T CA . 11441 1 183 . 1 1 40 40 THR CB C 13 69.914 0.099 . 1 . . . . 40 T CB . 11441 1 184 . 1 1 40 40 THR N N 15 106.181 0.052 . 1 . . . . 40 T N . 11441 1 185 . 1 1 41 41 THR H H 1 9.173 0.004 . 1 . . . . 41 T HN . 11441 1 186 . 1 1 41 41 THR C C 13 173.068 0.009 . 1 . . . . 41 T CO . 11441 1 187 . 1 1 41 41 THR CA C 13 63.47 0.076 . 1 . . . . 41 T CA . 11441 1 188 . 1 1 41 41 THR CB C 13 70.867 0.025 . 1 . . . . 41 T CB . 11441 1 189 . 1 1 41 41 THR N N 15 122.422 0.052 . 1 . . . . 41 T N . 11441 1 190 . 1 1 42 42 GLY H H 1 8.482 0.004 . 1 . . . . 42 G HN . 11441 1 191 . 1 1 42 42 GLY C C 13 175.678 0.013 . 1 . . . . 42 G CO . 11441 1 192 . 1 1 42 42 GLY CA C 13 44.088 0.017 . 1 . . . . 42 G CA . 11441 1 193 . 1 1 42 42 GLY N N 15 112.401 0.089 . 1 . . . . 42 G N . 11441 1 194 . 1 1 43 43 SER H H 1 9.419 0.003 . 1 . . . . 43 S HN . 11441 1 195 . 1 1 43 43 SER C C 13 174.66 0.01 . 1 . . . . 43 S CO . 11441 1 196 . 1 1 43 43 SER CA C 13 57.616 0.042 . 1 . . . . 43 S CA . 11441 1 197 . 1 1 43 43 SER CB C 13 65.591 0.025 . 1 . . . . 43 S CB . 11441 1 198 . 1 1 43 43 SER N N 15 118.876 0.077 . 1 . . . . 43 S N . 11441 1 199 . 1 1 44 44 LEU H H 1 8.736 0.003 . 1 . . . . 44 L HN . 11441 1 200 . 1 1 44 44 LEU C C 13 178.103 0.005 . 1 . . . . 44 L CO . 11441 1 201 . 1 1 44 44 LEU CA C 13 58.035 0.062 . 1 . . . . 44 L CA . 11441 1 202 . 1 1 44 44 LEU CB C 13 41.094 0.053 . 1 . . . . 44 L CB . 11441 1 203 . 1 1 44 44 LEU N N 15 121.895 0.06 . 1 . . . . 44 L N . 11441 1 204 . 1 1 45 45 ASP H H 1 7.752 0.004 . 1 . . . . 45 D HN . 11441 1 205 . 1 1 45 45 ASP C C 13 177.64 0.009 . 1 . . . . 45 D CO . 11441 1 206 . 1 1 45 45 ASP CA C 13 56.966 0.175 . 1 . . . . 45 D CA . 11441 1 207 . 1 1 45 45 ASP CB C 13 40.017 0.02 . 1 . . . . 45 D CB . 11441 1 208 . 1 1 45 45 ASP N N 15 116.241 0.069 . 1 . . . . 45 D N . 11441 1 209 . 1 1 46 46 ASP H H 1 7.435 0.004 . 1 . . . . 46 D HN . 11441 1 210 . 1 1 46 46 ASP C C 13 177.742 0.197 . 1 . . . . 46 D CO . 11441 1 211 . 1 1 46 46 ASP CA C 13 57.325 0.294 . 1 . . . . 46 D CA . 11441 1 212 . 1 1 46 46 ASP CB C 13 41.004 0.015 . 1 . . . . 46 D CB . 11441 1 213 . 1 1 46 46 ASP N N 15 120.237 0.079 . 1 . . . . 46 D N . 11441 1 214 . 1 1 47 47 GLN H H 1 8.023 0.002 . 1 . . . . 47 Q HN . 11441 1 215 . 1 1 47 47 GLN C C 13 178.689 0.005 . 1 . . . . 47 Q CO . 11441 1 216 . 1 1 47 47 GLN CA C 13 58.572 0.093 . 1 . . . . 47 Q CA . 11441 1 217 . 1 1 47 47 GLN CB C 13 28.653 0 . 1 . . . . 47 Q CB . 11441 1 218 . 1 1 47 47 GLN N N 15 120.491 0.066 . 1 . . . . 47 Q N . 11441 1 219 . 1 1 48 48 LYS H H 1 7.868 0.004 . 1 . . . . 48 K HN . 11441 1 220 . 1 1 48 48 LYS C C 13 178.396 0.011 . 1 . . . . 48 K CO . 11441 1 221 . 1 1 48 48 LYS CA C 13 59.467 0.052 . 1 . . . . 48 K CA . 11441 1 222 . 1 1 48 48 LYS CB C 13 34.048 0.016 . 1 . . . . 48 K CB . 11441 1 223 . 1 1 48 48 LYS N N 15 117.519 0.096 . 1 . . . . 48 K N . 11441 1 224 . 1 1 49 49 ARG H H 1 8.497 0.003 . 1 . . . . 49 R HN . 11441 1 225 . 1 1 49 49 ARG C C 13 179.451 0.026 . 1 . . . . 49 R CO . 11441 1 226 . 1 1 49 49 ARG CA C 13 61.341 0.064 . 1 . . . . 49 R CA . 11441 1 227 . 1 1 49 49 ARG CB C 13 32.167 0.073 . 1 . . . . 49 R CB . 11441 1 228 . 1 1 49 49 ARG N N 15 117.592 0.071 . 1 . . . . 49 R N . 11441 1 229 . 1 1 50 50 GLU H H 1 8.8 0.003 . 1 . . . . 50 E HN . 11441 1 230 . 1 1 50 50 GLU C C 13 177.601 0.005 . 1 . . . . 50 E CO . 11441 1 231 . 1 1 50 50 GLU CA C 13 61.446 0.04 . 1 . . . . 50 E CA . 11441 1 232 . 1 1 50 50 GLU CB C 13 26.881 0.037 . 1 . . . . 50 E CB . 11441 1 233 . 1 1 50 50 GLU N N 15 118.364 0.064 . 1 . . . . 50 E N . 11441 1 234 . 1 1 51 51 LEU H H 1 7.723 0.003 . 1 . . . . 51 L HN . 11441 1 235 . 1 1 51 51 LEU C C 13 179.67 0 . 1 . . . . 51 L CO . 11441 1 236 . 1 1 51 51 LEU CA C 13 55.149 0.042 . 1 . . . . 51 L CA . 11441 1 237 . 1 1 51 51 LEU CB C 13 40.504 0.001 . 1 . . . . 51 L CB . 11441 1 238 . 1 1 51 51 LEU N N 15 123.135 0.076 . 1 . . . . 51 L N . 11441 1 239 . 1 1 52 52 ALA H H 1 8.679 0.002 . 1 . . . . 52 A HN . 11441 1 240 . 1 1 52 52 ALA C C 13 180.32 0.002 . 1 . . . . 52 A CO . 11441 1 241 . 1 1 52 52 ALA CA C 13 55.679 0.043 . 1 . . . . 52 A CA . 11441 1 242 . 1 1 52 52 ALA CB C 13 20.205 0.026 . 1 . . . . 52 A CB . 11441 1 243 . 1 1 52 52 ALA N N 15 120.378 0.061 . 1 . . . . 52 A N . 11441 1 244 . 1 1 53 53 ALA H H 1 9.686 0.002 . 1 . . . . 53 A HN . 11441 1 245 . 1 1 53 53 ALA C C 13 180.153 0.011 . 1 . . . . 53 A CO . 11441 1 246 . 1 1 53 53 ALA CA C 13 55.464 0.057 . 1 . . . . 53 A CA . 11441 1 247 . 1 1 53 53 ALA CB C 13 19.7 0.058 . 1 . . . . 53 A CB . 11441 1 248 . 1 1 53 53 ALA N N 15 121.244 0.066 . 1 . . . . 53 A N . 11441 1 249 . 1 1 54 54 PHE H H 1 9.133 0.003 . 1 . . . . 54 F HN . 11441 1 250 . 1 1 54 54 PHE C C 13 176.937 0.008 . 1 . . . . 54 F CO . 11441 1 251 . 1 1 54 54 PHE CA C 13 60.654 0.022 . 1 . . . . 54 F CA . 11441 1 252 . 1 1 54 54 PHE CB C 13 39.356 0.019 . 1 . . . . 54 F CB . 11441 1 253 . 1 1 54 54 PHE N N 15 123.716 0.082 . 1 . . . . 54 F N . 11441 1 254 . 1 1 55 55 LEU H H 1 8.763 0.004 . 1 . . . . 55 L HN . 11441 1 255 . 1 1 55 55 LEU C C 13 179.338 0.011 . 1 . . . . 55 L CO . 11441 1 256 . 1 1 55 55 LEU CA C 13 57.532 0.06 . 1 . . . . 55 L CA . 11441 1 257 . 1 1 55 55 LEU CB C 13 39.36 0.001 . 1 . . . . 55 L CB . 11441 1 258 . 1 1 55 55 LEU N N 15 117.172 0.07 . 1 . . . . 55 L N . 11441 1 259 . 1 1 56 56 GLY H H 1 9.219 0.002 . 1 . . . . 56 G HN . 11441 1 260 . 1 1 56 56 GLY C C 13 175.002 0.046 . 1 . . . . 56 G CO . 11441 1 261 . 1 1 56 56 GLY CA C 13 47.7 0.07 . 1 . . . . 56 G CA . 11441 1 262 . 1 1 56 56 GLY N N 15 113.349 0.061 . 1 . . . . 56 G N . 11441 1 263 . 1 1 57 57 ASN H H 1 7.812 0.005 . 1 . . . . 57 N HN . 11441 1 264 . 1 1 57 57 ASN C C 13 178.187 0.006 . 1 . . . . 57 N CO . 11441 1 265 . 1 1 57 57 ASN CA C 13 58.221 0.015 . 1 . . . . 57 N CA . 11441 1 266 . 1 1 57 57 ASN CB C 13 39.346 0.099 . 1 . . . . 57 N CB . 11441 1 267 . 1 1 57 57 ASN N N 15 118.769 0.076 . 1 . . . . 57 N N . 11441 1 268 . 1 1 58 58 ILE H H 1 8.369 0.004 . 1 . . . . 58 I HN . 11441 1 269 . 1 1 58 58 ILE C C 13 179.637 0.008 . 1 . . . . 58 I CO . 11441 1 270 . 1 1 58 58 ILE CA C 13 62.889 0.057 . 1 . . . . 58 I CA . 11441 1 271 . 1 1 58 58 ILE CB C 13 35.529 0.05 . 1 . . . . 58 I CB . 11441 1 272 . 1 1 58 58 ILE N N 15 120.979 0.065 . 1 . . . . 58 I N . 11441 1 273 . 1 1 59 59 ASN H H 1 8.939 0.003 . 1 . . . . 59 N HN . 11441 1 274 . 1 1 59 59 ASN C C 13 176.551 0.007 . 1 . . . . 59 N CO . 11441 1 275 . 1 1 59 59 ASN CA C 13 57.547 0.058 . 1 . . . . 59 N CA . 11441 1 276 . 1 1 59 59 ASN CB C 13 37.538 0.017 . 1 . . . . 59 N CB . 11441 1 277 . 1 1 59 59 ASN N N 15 123.339 0.048 . 1 . . . . 59 N N . 11441 1 278 . 1 1 60 60 GLN H H 1 7.116 0.004 . 1 . . . . 60 Q HN . 11441 1 279 . 1 1 60 60 GLN C C 13 177.311 0 . 1 . . . . 60 Q CO . 11441 1 280 . 1 1 60 60 GLN CA C 13 57.652 0.071 . 1 . . . . 60 Q CA . 11441 1 281 . 1 1 60 60 GLN CB C 13 27.797 0.001 . 1 . . . . 60 Q CB . 11441 1 282 . 1 1 60 60 GLN N N 15 116.642 0.062 . 1 . . . . 60 Q N . 11441 1 283 . 1 1 61 61 GLU H H 1 8.497 0.003 . 1 . . . . 61 E HN . 11441 1 284 . 1 1 61 61 GLU C C 13 176.575 0.008 . 1 . . . . 61 E CO . 11441 1 285 . 1 1 61 61 GLU CA C 13 58.78 0.059 . 1 . . . . 61 E CA . 11441 1 286 . 1 1 61 61 GLU CB C 13 29.76 0.008 . 1 . . . . 61 E CB . 11441 1 287 . 1 1 61 61 GLU N N 15 119.21 0.07 . 1 . . . . 61 E N . 11441 1 288 . 1 1 62 62 SER H H 1 8.223 0.003 . 1 . . . . 62 S HN . 11441 1 289 . 1 1 62 62 SER C C 13 175.361 0.011 . 1 . . . . 62 S CO . 11441 1 290 . 1 1 62 62 SER CA C 13 57.699 0.043 . 1 . . . . 62 S CA . 11441 1 291 . 1 1 62 62 SER CB C 13 66.236 0 . 1 . . . . 62 S CB . 11441 1 292 . 1 1 62 62 SER N N 15 106.677 0.07 . 1 . . . . 62 S N . 11441 1 293 . 1 1 63 63 GLY H H 1 7.425 0.003 . 1 . . . . 63 G HN . 11441 1 294 . 1 1 63 63 GLY C C 13 177.042 0.004 . 1 . . . . 63 G CO . 11441 1 295 . 1 1 63 63 GLY CA C 13 47.857 0.066 . 1 . . . . 63 G CA . 11441 1 296 . 1 1 63 63 GLY N N 15 115.625 0.064 . 1 . . . . 63 G N . 11441 1 297 . 1 1 64 64 GLY H H 1 8.725 0.002 . 1 . . . . 64 G HN . 11441 1 298 . 1 1 64 64 GLY C C 13 175.309 0.009 . 1 . . . . 64 G CO . 11441 1 299 . 1 1 64 64 GLY CA C 13 46.911 0.089 . 1 . . . . 64 G CA . 11441 1 300 . 1 1 64 64 GLY N N 15 107.415 0.046 . 1 . . . . 64 G N . 11441 1 301 . 1 1 65 65 LEU H H 1 8.114 0.002 . 1 . . . . 65 L HN . 11441 1 302 . 1 1 65 65 LEU C C 13 175.227 0.006 . 1 . . . . 65 L CO . 11441 1 303 . 1 1 65 65 LEU CA C 13 55.062 0.069 . 1 . . . . 65 L CA . 11441 1 304 . 1 1 65 65 LEU CB C 13 37.893 0.031 . 1 . . . . 65 L CB . 11441 1 305 . 1 1 65 65 LEU N N 15 111.667 0.079 . 1 . . . . 65 L N . 11441 1 306 . 1 1 66 66 GLN H H 1 7.382 0.002 . 1 . . . . 66 Q HN . 11441 1 307 . 1 1 66 66 GLN C C 13 176.137 0 . 1 . . . . 66 Q CO . 11441 1 308 . 1 1 66 66 GLN CA C 13 57.681 0.053 . 1 . . . . 66 Q CA . 11441 1 309 . 1 1 66 66 GLN CB C 13 30.56 0.064 . 1 . . . . 66 Q CB . 11441 1 310 . 1 1 66 66 GLN N N 15 114.789 0.08 . 1 . . . . 66 Q N . 11441 1 311 . 1 1 67 67 PHE H H 1 8.109 0.004 . 1 . . . . 67 F HN . 11441 1 312 . 1 1 67 67 PHE C C 13 174.404 0.002 . 1 . . . . 67 F CO . 11441 1 313 . 1 1 67 67 PHE CA C 13 59.006 0.05 . 1 . . . . 67 F CA . 11441 1 314 . 1 1 67 67 PHE CB C 13 39.635 0.057 . 1 . . . . 67 F CB . 11441 1 315 . 1 1 67 67 PHE N N 15 119.617 0.057 . 1 . . . . 67 F N . 11441 1 316 . 1 1 68 68 ILE H H 1 8.595 0.003 . 1 . . . . 68 I HN . 11441 1 317 . 1 1 68 68 ILE C C 13 174.274 0.005 . 1 . . . . 68 I CO . 11441 1 318 . 1 1 68 68 ILE CA C 13 63.614 0.056 . 1 . . . . 68 I CA . 11441 1 319 . 1 1 68 68 ILE CB C 13 39.375 0 . 1 . . . . 68 I CB . 11441 1 320 . 1 1 68 68 ILE N N 15 128.267 0.072 . 1 . . . . 68 I N . 11441 1 321 . 1 1 69 69 GLN H H 1 7.108 0.004 . 1 . . . . 69 Q HN . 11441 1 322 . 1 1 69 69 GLN C C 13 173.312 0.01 . 1 . . . . 69 Q CO . 11441 1 323 . 1 1 69 69 GLN CA C 13 53.649 0.055 . 1 . . . . 69 Q CA . 11441 1 324 . 1 1 69 69 GLN CB C 13 32.362 0.012 . 1 . . . . 69 Q CB . 11441 1 325 . 1 1 69 69 GLN N N 15 111.488 0.054 . 1 . . . . 69 Q N . 11441 1 326 . 1 1 70 70 GLU H H 1 8.181 0.003 . 1 . . . . 70 E HN . 11441 1 327 . 1 1 70 70 GLU C C 13 174.777 0.009 . 1 . . . . 70 E CO . 11441 1 328 . 1 1 70 70 GLU CA C 13 56.988 0.089 . 1 . . . . 70 E CA . 11441 1 329 . 1 1 70 70 GLU CB C 13 30.651 0.054 . 1 . . . . 70 E CB . 11441 1 330 . 1 1 70 70 GLU N N 15 123.523 0.081 . 1 . . . . 70 E N . 11441 1 331 . 1 1 71 71 GLN H H 1 8.482 0.003 . 1 . . . . 71 Q HN . 11441 1 332 . 1 1 71 71 GLN C C 13 175.506 0.006 . 1 . . . . 71 Q CO . 11441 1 333 . 1 1 71 71 GLN CA C 13 55.639 0.028 . 1 . . . . 71 Q CA . 11441 1 334 . 1 1 71 71 GLN CB C 13 29.5 0.093 . 1 . . . . 71 Q CB . 11441 1 335 . 1 1 71 71 GLN N N 15 124.893 0.077 . 1 . . . . 71 Q N . 11441 1 336 . 1 1 72 72 ASN H H 1 8.855 0.003 . 1 . . . . 72 N HN . 11441 1 337 . 1 1 72 72 ASN C C 13 171.789 0 . 1 . . . . 72 N CO . 11441 1 338 . 1 1 72 72 ASN CA C 13 52.34 0.094 . 1 . . . . 72 N CA . 11441 1 339 . 1 1 72 72 ASN CB C 13 38.489 0 . 1 . . . . 72 N CB . 11441 1 340 . 1 1 72 72 ASN N N 15 117.619 0.071 . 1 . . . . 72 N N . 11441 1 341 . 1 1 73 73 PRO C C 13 178.377 0.007 . 1 . . . . 73 P CO . 11441 1 342 . 1 1 73 73 PRO CA C 13 63.211 0.017 . 1 . . . . 73 P CA . 11441 1 343 . 1 1 73 73 PRO CB C 13 32.112 0.054 . 1 . . . . 73 P CB . 11441 1 344 . 1 1 74 74 GLN H H 1 9.009 0.002 . 1 . . . . 74 Q HN . 11441 1 345 . 1 1 74 74 GLN C C 13 174.52 0.001 . 1 . . . . 74 Q CO . 11441 1 346 . 1 1 74 74 GLN CA C 13 55.003 0.095 . 1 . . . . 74 Q CA . 11441 1 347 . 1 1 74 74 GLN CB C 13 29.8 0.09 . 1 . . . . 74 Q CB . 11441 1 348 . 1 1 74 74 GLN N N 15 120.365 0.07 . 1 . . . . 74 Q N . 11441 1 349 . 1 1 75 75 SER H H 1 7.27 0.003 . 1 . . . . 75 S HN . 11441 1 350 . 1 1 75 75 SER C C 13 172.409 0.004 . 1 . . . . 75 S CO . 11441 1 351 . 1 1 75 75 SER CA C 13 55.88 0.025 . 1 . . . . 75 S CA . 11441 1 352 . 1 1 75 75 SER CB C 13 64.085 0.047 . 1 . . . . 75 S CB . 11441 1 353 . 1 1 75 75 SER N N 15 111.559 0.068 . 1 . . . . 75 S N . 11441 1 354 . 1 1 76 76 ASP H H 1 8.259 0.003 . 1 . . . . 76 D HN . 11441 1 355 . 1 1 76 76 ASP C C 13 176.467 0.015 . 1 . . . . 76 D CO . 11441 1 356 . 1 1 76 76 ASP CA C 13 54.524 0.027 . 1 . . . . 76 D CA . 11441 1 357 . 1 1 76 76 ASP CB C 13 40.307 0.012 . 1 . . . . 76 D CB . 11441 1 358 . 1 1 76 76 ASP N N 15 118.753 0.082 . 1 . . . . 76 D N . 11441 1 359 . 1 1 77 77 TYR H H 1 8.546 0.004 . 1 . . . . 77 Y HN . 11441 1 360 . 1 1 77 77 TYR C C 13 172.389 0.006 . 1 . . . . 77 Y CO . 11441 1 361 . 1 1 77 77 TYR CA C 13 58.818 0.05 . 1 . . . . 77 Y CA . 11441 1 362 . 1 1 77 77 TYR CB C 13 36.074 0.079 . 1 . . . . 77 Y CB . 11441 1 363 . 1 1 77 77 TYR N N 15 117.48 0.041 . 1 . . . . 77 Y N . 11441 1 364 . 1 1 78 78 CYS H H 1 8.08 0.003 . 1 . . . . 78 C HN . 11441 1 365 . 1 1 78 78 CYS C C 13 174.35 0.004 . 1 . . . . 78 C CO . 11441 1 366 . 1 1 78 78 CYS CA C 13 54.761 0.099 . 1 . . . . 78 C CA . 11441 1 367 . 1 1 78 78 CYS CB C 13 42.431 0.027 . 1 . . . . 78 C CB . 11441 1 368 . 1 1 78 78 CYS N N 15 115.281 0.078 . 1 . . . . 78 C N . 11441 1 369 . 1 1 79 79 ASP H H 1 9.796 0.003 . 1 . . . . 79 D HN . 11441 1 370 . 1 1 79 79 ASP C C 13 178.015 0 . 1 . . . . 79 D CO . 11441 1 371 . 1 1 79 79 ASP CA C 13 52.662 0.052 . 1 . . . . 79 D CA . 11441 1 372 . 1 1 79 79 ASP CB C 13 40.93 0.023 . 1 . . . . 79 D CB . 11441 1 373 . 1 1 79 79 ASP N N 15 129.746 0.071 . 1 . . . . 79 D N . 11441 1 374 . 1 1 80 80 THR H H 1 8.776 0.004 . 1 . . . . 80 T HN . 11441 1 375 . 1 1 80 80 THR C C 13 175.455 0.001 . 1 . . . . 80 T CO . 11441 1 376 . 1 1 80 80 THR CA C 13 63.31 0.028 . 1 . . . . 80 T CA . 11441 1 377 . 1 1 80 80 THR CB C 13 68.793 0.07 . 1 . . . . 80 T CB . 11441 1 378 . 1 1 80 80 THR N N 15 118.646 0.061 . 1 . . . . 80 T N . 11441 1 379 . 1 1 81 81 SER H H 1 8.699 0.003 . 1 . . . . 81 S HN . 11441 1 380 . 1 1 81 81 SER C C 13 174.912 0.009 . 1 . . . . 81 S CO . 11441 1 381 . 1 1 81 81 SER CA C 13 59.924 0.043 . 1 . . . . 81 S CA . 11441 1 382 . 1 1 81 81 SER CB C 13 63.619 0.1 . 1 . . . . 81 S CB . 11441 1 383 . 1 1 81 81 SER N N 15 117.964 0.064 . 1 . . . . 81 S N . 11441 1 384 . 1 1 82 82 SER H H 1 7.061 0.004 . 1 . . . . 82 S HN . 11441 1 385 . 1 1 82 82 SER C C 13 175.684 0.008 . 1 . . . . 82 S CO . 11441 1 386 . 1 1 82 82 SER CA C 13 57.283 0.064 . 1 . . . . 82 S CA . 11441 1 387 . 1 1 82 82 SER CB C 13 62.756 0.199 . 1 . . . . 82 S CB . 11441 1 388 . 1 1 82 82 SER N N 15 115.918 0.071 . 1 . . . . 82 S N . 11441 1 389 . 1 1 83 83 THR H H 1 8.091 0.005 . 1 . . . . 83 T HN . 11441 1 390 . 1 1 83 83 THR C C 13 175.676 0 . 1 . . . . 83 T CO . 11441 1 391 . 1 1 83 83 THR CA C 13 63.297 0.131 . 1 . . . . 83 T CA . 11441 1 392 . 1 1 83 83 THR CB C 13 68.627 0.041 . 1 . . . . 83 T CB . 11441 1 393 . 1 1 83 83 THR N N 15 118.894 0.055 . 1 . . . . 83 T N . 11441 1 394 . 1 1 84 84 GLN H H 1 8.326 0.002 . 1 . . . . 84 Q HN . 11441 1 395 . 1 1 84 84 GLN C C 13 175.14 0.005 . 1 . . . . 84 Q CO . 11441 1 396 . 1 1 84 84 GLN CA C 13 57.266 0.078 . 1 . . . . 84 Q CA . 11441 1 397 . 1 1 84 84 GLN CB C 13 28.745 0.041 . 1 . . . . 84 Q CB . 11441 1 398 . 1 1 84 84 GLN N N 15 120.762 0.067 . 1 . . . . 84 Q N . 11441 1 399 . 1 1 85 85 TYR H H 1 7.308 0.003 . 1 . . . . 85 Y HN . 11441 1 400 . 1 1 85 85 TYR C C 13 170.545 0 . 1 . . . . 85 Y CO . 11441 1 401 . 1 1 85 85 TYR CA C 13 53.343 0.007 . 1 . . . . 85 Y CA . 11441 1 402 . 1 1 85 85 TYR CB C 13 38.301 0 . 1 . . . . 85 Y CB . 11441 1 403 . 1 1 85 85 TYR N N 15 116.315 0.079 . 1 . . . . 85 Y N . 11441 1 404 . 1 1 86 86 PRO C C 13 176.334 0.008 . 1 . . . . 86 P CO . 11441 1 405 . 1 1 86 86 PRO CA C 13 62.504 0.011 . 1 . . . . 86 P CA . 11441 1 406 . 1 1 86 86 PRO CB C 13 31.516 0.052 . 1 . . . . 86 P CB . 11441 1 407 . 1 1 87 87 CYS H H 1 8.313 0.003 . 1 . . . . 87 C HN . 11441 1 408 . 1 1 87 87 CYS C C 13 174.097 0.003 . 1 . . . . 87 C CO . 11441 1 409 . 1 1 87 87 CYS CA C 13 55.193 0.023 . 1 . . . . 87 C CA . 11441 1 410 . 1 1 87 87 CYS CB C 13 41.739 0.188 . 1 . . . . 87 C CB . 11441 1 411 . 1 1 87 87 CYS N N 15 119.358 0.092 . 1 . . . . 87 C N . 11441 1 412 . 1 1 88 88 ALA H H 1 8.349 0.004 . 1 . . . . 88 A HN . 11441 1 413 . 1 1 88 88 ALA C C 13 177.789 0.014 . 1 . . . . 88 A CO . 11441 1 414 . 1 1 88 88 ALA CA C 13 51.491 0.051 . 1 . . . . 88 A CA . 11441 1 415 . 1 1 88 88 ALA CB C 13 19.492 0.068 . 1 . . . . 88 A CB . 11441 1 416 . 1 1 88 88 ALA N N 15 128.303 0.081 . 1 . . . . 88 A N . 11441 1 417 . 1 1 89 89 ALA H H 1 8.722 0.003 . 1 . . . . 89 A HN . 11441 1 418 . 1 1 89 89 ALA C C 13 179.182 0.017 . 1 . . . . 89 A CO . 11441 1 419 . 1 1 89 89 ALA CA C 13 53.602 0.034 . 1 . . . . 89 A CA . 11441 1 420 . 1 1 89 89 ALA CB C 13 17.873 0.025 . 1 . . . . 89 A CB . 11441 1 421 . 1 1 89 89 ALA N N 15 127.898 0.071 . 1 . . . . 89 A N . 11441 1 422 . 1 1 90 90 GLY H H 1 8.987 0.003 . 1 . . . . 90 G HN . 11441 1 423 . 1 1 90 90 GLY C C 13 173.802 0 . 1 . . . . 90 G CO . 11441 1 424 . 1 1 90 90 GLY CA C 13 45.627 0.055 . 1 . . . . 90 G CA . 11441 1 425 . 1 1 90 90 GLY N N 15 111.086 0.064 . 1 . . . . 90 G N . 11441 1 426 . 1 1 91 91 LYS H H 1 7.384 0.003 . 1 . . . . 91 K HN . 11441 1 427 . 1 1 91 91 LYS C C 13 175.889 0.007 . 1 . . . . 91 K CO . 11441 1 428 . 1 1 91 91 LYS CA C 13 52.351 0.055 . 1 . . . . 91 K CA . 11441 1 429 . 1 1 91 91 LYS CB C 13 32.321 0.013 . 1 . . . . 91 K CB . 11441 1 430 . 1 1 91 91 LYS N N 15 116.897 0.067 . 1 . . . . 91 K N . 11441 1 431 . 1 1 92 92 GLN H H 1 8.2 0.004 . 1 . . . . 92 Q HN . 11441 1 432 . 1 1 92 92 GLN C C 13 175.635 0.016 . 1 . . . . 92 Q CO . 11441 1 433 . 1 1 92 92 GLN CA C 13 53.748 0.024 . 1 . . . . 92 Q CA . 11441 1 434 . 1 1 92 92 GLN CB C 13 34.292 0.095 . 1 . . . . 92 Q CB . 11441 1 435 . 1 1 92 92 GLN N N 15 115.792 0.059 . 1 . . . . 92 Q N . 11441 1 436 . 1 1 93 93 TYR H H 1 8.608 0.005 . 1 . . . . 93 Y HN . 11441 1 437 . 1 1 93 93 TYR C C 13 173.241 0 . 1 . . . . 93 Y CO . 11441 1 438 . 1 1 93 93 TYR CA C 13 57.072 0.087 . 1 . . . . 93 Y CA . 11441 1 439 . 1 1 93 93 TYR CB C 13 35.6 0 . 1 . . . . 93 Y CB . 11441 1 440 . 1 1 93 93 TYR N N 15 123.934 0.096 . 1 . . . . 93 Y N . 11441 1 441 . 1 1 95 95 GLY H H 1 8.551 0.003 . 1 . . . . 95 G HN . 11441 1 442 . 1 1 95 95 GLY C C 13 174.82 0.016 . 1 . . . . 95 G CO . 11441 1 443 . 1 1 95 95 GLY CA C 13 46.66 0.073 . 1 . . . . 95 G CA . 11441 1 444 . 1 1 95 95 GLY N N 15 104.355 0.087 . 1 . . . . 95 G N . 11441 1 445 . 1 1 96 96 ARG H H 1 7.834 0.004 . 1 . . . . 96 R HN . 11441 1 446 . 1 1 96 96 ARG C C 13 177.534 0 . 1 . . . . 96 R CO . 11441 1 447 . 1 1 96 96 ARG CA C 13 55.259 0.069 . 1 . . . . 96 R CA . 11441 1 448 . 1 1 96 96 ARG CB C 13 37.408 0.029 . 1 . . . . 96 R CB . 11441 1 449 . 1 1 96 96 ARG N N 15 119.581 0.05 . 1 . . . . 96 R N . 11441 1 450 . 1 1 97 97 GLY H H 1 9.145 0.003 . 1 . . . . 97 G HN . 11441 1 451 . 1 1 97 97 GLY C C 13 172.088 0 . 1 . . . . 97 G CO . 11441 1 452 . 1 1 97 97 GLY CA C 13 45.409 0.048 . 1 . . . . 97 G CA . 11441 1 453 . 1 1 97 97 GLY N N 15 108.081 0.068 . 1 . . . . 97 G N . 11441 1 454 . 1 1 98 98 PRO C C 13 174.618 0 . 1 . . . . 98 P CO . 11441 1 455 . 1 1 98 98 PRO CA C 13 64.968 0.023 . 1 . . . . 98 P CA . 11441 1 456 . 1 1 98 98 PRO CB C 13 31.208 0 . 1 . . . . 98 P CB . 11441 1 457 . 1 1 99 99 ILE H H 1 7.595 0.004 . 1 . . . . 99 I HN . 11441 1 458 . 1 1 99 99 ILE C C 13 174.878 0.059 . 1 . . . . 99 I CO . 11441 1 459 . 1 1 99 99 ILE CA C 13 58.191 0.042 . 1 . . . . 99 I CA . 11441 1 460 . 1 1 99 99 ILE CB C 13 39.298 0.069 . 1 . . . . 99 I CB . 11441 1 461 . 1 1 99 99 ILE N N 15 107.945 0.051 . 1 . . . . 99 I N . 11441 1 462 . 1 1 100 100 GLN H H 1 7.797 0.003 . 1 . . . . 100 Q HN . 11441 1 463 . 1 1 100 100 GLN C C 13 174.964 0.004 . 1 . . . . 100 Q CO . 11441 1 464 . 1 1 100 100 GLN CA C 13 56.156 0.061 . 1 . . . . 100 Q CA . 11441 1 465 . 1 1 100 100 GLN CB C 13 25.118 0.06 . 1 . . . . 100 Q CB . 11441 1 466 . 1 1 100 100 GLN N N 15 117.186 0.072 . 1 . . . . 100 Q N . 11441 1 467 . 1 1 101 101 LEU H H 1 7.002 0.003 . 1 . . . . 101 L HN . 11441 1 468 . 1 1 101 101 LEU C C 13 175.44 0.012 . 1 . . . . 101 L CO . 11441 1 469 . 1 1 101 101 LEU CA C 13 56.773 0.067 . 1 . . . . 101 L CA . 11441 1 470 . 1 1 101 101 LEU CB C 13 42.685 0.034 . 1 . . . . 101 L CB . 11441 1 471 . 1 1 101 101 LEU N N 15 122.097 0.061 . 1 . . . . 101 L N . 11441 1 472 . 1 1 102 102 SER H H 1 8.684 0.003 . 1 . . . . 102 S HN . 11441 1 473 . 1 1 102 102 SER C C 13 173.346 0.008 . 1 . . . . 102 S CO . 11441 1 474 . 1 1 102 102 SER CA C 13 58.234 0.043 . 1 . . . . 102 S CA . 11441 1 475 . 1 1 102 102 SER CB C 13 67.123 0.039 . 1 . . . . 102 S CB . 11441 1 476 . 1 1 102 102 SER N N 15 121.026 0.044 . 1 . . . . 102 S N . 11441 1 477 . 1 1 103 103 TRP H H 1 8.615 0.004 . 1 . . . . 103 W HN . 11441 1 478 . 1 1 103 103 TRP C C 13 178.102 0.005 . 1 . . . . 103 W CO . 11441 1 479 . 1 1 103 103 TRP CA C 13 60.921 0.058 . 1 . . . . 103 W CA . 11441 1 480 . 1 1 103 103 TRP CB C 13 26.572 0.077 . 1 . . . . 103 W CB . 11441 1 481 . 1 1 103 103 TRP N N 15 108.989 0.069 . 1 . . . . 103 W N . 11441 1 482 . 1 1 104 104 ASN H H 1 9.162 0.003 . 1 . . . . 104 N HN . 11441 1 483 . 1 1 104 104 ASN C C 13 175.539 0.004 . 1 . . . . 104 N CO . 11441 1 484 . 1 1 104 104 ASN CA C 13 57.409 0.072 . 1 . . . . 104 N CA . 11441 1 485 . 1 1 104 104 ASN CB C 13 36.607 0.08 . 1 . . . . 104 N CB . 11441 1 486 . 1 1 104 104 ASN N N 15 121.949 0.088 . 1 . . . . 104 N N . 11441 1 487 . 1 1 105 105 TYR H H 1 6.569 0.004 . 1 . . . . 105 Y HN . 11441 1 488 . 1 1 105 105 TYR C C 13 176.985 0.001 . 1 . . . . 105 Y CO . 11441 1 489 . 1 1 105 105 TYR CA C 13 57.343 0.066 . 1 . . . . 105 Y CA . 11441 1 490 . 1 1 105 105 TYR CB C 13 36.387 0.032 . 1 . . . . 105 Y CB . 11441 1 491 . 1 1 105 105 TYR N N 15 110.817 0.075 . 1 . . . . 105 Y N . 11441 1 492 . 1 1 106 106 ASN H H 1 6.686 0.004 . 1 . . . . 106 N HN . 11441 1 493 . 1 1 106 106 ASN C C 13 176.414 0.03 . 1 . . . . 106 N CO . 11441 1 494 . 1 1 106 106 ASN CA C 13 55.633 0.055 . 1 . . . . 106 N CA . 11441 1 495 . 1 1 106 106 ASN CB C 13 37.28 0.04 . 1 . . . . 106 N CB . 11441 1 496 . 1 1 106 106 ASN N N 15 122.384 0.062 . 1 . . . . 106 N N . 11441 1 497 . 1 1 107 107 TYR H H 1 7.858 0.004 . 1 . . . . 107 Y HN . 11441 1 498 . 1 1 107 107 TYR C C 13 178.478 0.003 . 1 . . . . 107 Y CO . 11441 1 499 . 1 1 107 107 TYR CA C 13 62.879 0.081 . 1 . . . . 107 Y CA . 11441 1 500 . 1 1 107 107 TYR CB C 13 37.339 0.081 . 1 . . . . 107 Y CB . 11441 1 501 . 1 1 107 107 TYR N N 15 118.816 0.056 . 1 . . . . 107 Y N . 11441 1 502 . 1 1 108 108 GLY H H 1 8.444 0.002 . 1 . . . . 108 G HN . 11441 1 503 . 1 1 108 108 GLY C C 13 174.618 0.01 . 1 . . . . 108 G CO . 11441 1 504 . 1 1 108 108 GLY CA C 13 47.371 0.052 . 1 . . . . 108 G CA . 11441 1 505 . 1 1 108 108 GLY N N 15 104.284 0.064 . 1 . . . . 108 G N . 11441 1 506 . 1 1 109 109 GLU H H 1 6.757 0.005 . 1 . . . . 109 E HN . 11441 1 507 . 1 1 109 109 GLU C C 13 177.196 0.013 . 1 . . . . 109 E CO . 11441 1 508 . 1 1 109 109 GLU CA C 13 59.402 0.059 . 1 . . . . 109 E CA . 11441 1 509 . 1 1 109 109 GLU CB C 13 29.72 0.047 . 1 . . . . 109 E CB . 11441 1 510 . 1 1 109 109 GLU N N 15 125.37 0.085 . 1 . . . . 109 E N . 11441 1 511 . 1 1 110 110 ALA H H 1 7.537 0.003 . 1 . . . . 110 A HN . 11441 1 512 . 1 1 110 110 ALA C C 13 179.561 0.009 . 1 . . . . 110 A CO . 11441 1 513 . 1 1 110 110 ALA CA C 13 54.287 0.062 . 1 . . . . 110 A CA . 11441 1 514 . 1 1 110 110 ALA CB C 13 16.008 0.009 . 1 . . . . 110 A CB . 11441 1 515 . 1 1 110 110 ALA N N 15 119.746 0.075 . 1 . . . . 110 A N . 11441 1 516 . 1 1 111 111 GLY H H 1 8.147 0.002 . 1 . . . . 111 G HN . 11441 1 517 . 1 1 111 111 GLY C C 13 176.195 0.004 . 1 . . . . 111 G CO . 11441 1 518 . 1 1 111 111 GLY CA C 13 48.121 0.037 . 1 . . . . 111 G CA . 11441 1 519 . 1 1 111 111 GLY N N 15 104.387 0.072 . 1 . . . . 111 G N . 11441 1 520 . 1 1 112 112 ALA H H 1 7.789 0.003 . 1 . . . . 112 A HN . 11441 1 521 . 1 1 112 112 ALA C C 13 180.482 0.009 . 1 . . . . 112 A CO . 11441 1 522 . 1 1 112 112 ALA CA C 13 55.095 0.066 . 1 . . . . 112 A CA . 11441 1 523 . 1 1 112 112 ALA CB C 13 18.032 0.024 . 1 . . . . 112 A CB . 11441 1 524 . 1 1 112 112 ALA N N 15 124.218 0.068 . 1 . . . . 112 A N . 11441 1 525 . 1 1 113 113 ASP H H 1 7.817 0.003 . 1 . . . . 113 D HN . 11441 1 526 . 1 1 113 113 ASP C C 13 178.588 0.004 . 1 . . . . 113 D CO . 11441 1 527 . 1 1 113 113 ASP CA C 13 56.902 0.06 . 1 . . . . 113 D CA . 11441 1 528 . 1 1 113 113 ASP CB C 13 40.408 0.045 . 1 . . . . 113 D CB . 11441 1 529 . 1 1 113 113 ASP N N 15 118.56 0.072 . 1 . . . . 113 D N . 11441 1 530 . 1 1 114 114 LEU H H 1 8.566 0.003 . 1 . . . . 114 L HN . 11441 1 531 . 1 1 114 114 LEU C C 13 177.112 0.005 . 1 . . . . 114 L CO . 11441 1 532 . 1 1 114 114 LEU CA C 13 55.024 0.054 . 1 . . . . 114 L CA . 11441 1 533 . 1 1 114 114 LEU CB C 13 43.337 0.033 . 1 . . . . 114 L CB . 11441 1 534 . 1 1 114 114 LEU N N 15 118.085 0.057 . 1 . . . . 114 L N . 11441 1 535 . 1 1 115 115 GLY H H 1 7.904 0.004 . 1 . . . . 115 G HN . 11441 1 536 . 1 1 115 115 GLY C C 13 174.344 0.054 . 1 . . . . 115 G CO . 11441 1 537 . 1 1 115 115 GLY CA C 13 46.633 0.108 . 1 . . . . 115 G CA . 11441 1 538 . 1 1 115 115 GLY N N 15 109.727 0.028 . 1 . . . . 115 G N . 11441 1 539 . 1 1 116 116 LEU H H 1 8.407 0.003 . 1 . . . . 116 L HN . 11441 1 540 . 1 1 116 116 LEU C C 13 176.68 0.04 . 1 . . . . 116 L CO . 11441 1 541 . 1 1 116 116 LEU CA C 13 52.541 0.06 . 1 . . . . 116 L CA . 11441 1 542 . 1 1 116 116 LEU CB C 13 48.5 0.017 . 1 . . . . 116 L CB . 11441 1 543 . 1 1 116 116 LEU N N 15 118.518 0.063 . 1 . . . . 116 L N . 11441 1 544 . 1 1 117 117 ASP H H 1 8.872 0.003 . 1 . . . . 117 D HN . 11441 1 545 . 1 1 117 117 ASP C C 13 176.737 0 . 1 . . . . 117 D CO . 11441 1 546 . 1 1 117 117 ASP CA C 13 52.346 0.073 . 1 . . . . 117 D CA . 11441 1 547 . 1 1 117 117 ASP CB C 13 38.63 0.029 . 1 . . . . 117 D CB . 11441 1 548 . 1 1 117 117 ASP N N 15 123.538 0.094 . 1 . . . . 117 D N . 11441 1 549 . 1 1 118 118 LEU H H 1 7.57 0.003 . 1 . . . . 118 L HN . 11441 1 550 . 1 1 118 118 LEU C C 13 176.9 0.002 . 1 . . . . 118 L CO . 11441 1 551 . 1 1 118 118 LEU CA C 13 55.335 0.076 . 1 . . . . 118 L CA . 11441 1 552 . 1 1 118 118 LEU CB C 13 41.624 0.024 . 1 . . . . 118 L CB . 11441 1 553 . 1 1 118 118 LEU N N 15 119.575 0.058 . 1 . . . . 118 L N . 11441 1 554 . 1 1 119 119 LEU H H 1 8.366 0.002 . 1 . . . . 119 L HN . 11441 1 555 . 1 1 119 119 LEU C C 13 178.753 0.021 . 1 . . . . 119 L CO . 11441 1 556 . 1 1 119 119 LEU CA C 13 57.052 0.091 . 1 . . . . 119 L CA . 11441 1 557 . 1 1 119 119 LEU CB C 13 42.297 0.036 . 1 . . . . 119 L CB . 11441 1 558 . 1 1 119 119 LEU N N 15 117.037 0.059 . 1 . . . . 119 L N . 11441 1 559 . 1 1 120 120 ASN H H 1 7.553 0.006 . 1 . . . . 120 N HN . 11441 1 560 . 1 1 120 120 ASN C C 13 174.705 0.01 . 1 . . . . 120 N CO . 11441 1 561 . 1 1 120 120 ASN CA C 13 53.938 0.038 . 1 . . . . 120 N CA . 11441 1 562 . 1 1 120 120 ASN CB C 13 38.63 0.026 . 1 . . . . 120 N CB . 11441 1 563 . 1 1 120 120 ASN N N 15 113.584 0.083 . 1 . . . . 120 N N . 11441 1 564 . 1 1 121 121 ASN H H 1 7.398 0.003 . 1 . . . . 121 N HN . 11441 1 565 . 1 1 121 121 ASN C C 13 171.422 0 . 1 . . . . 121 N CO . 11441 1 566 . 1 1 121 121 ASN CA C 13 50.254 0.046 . 1 . . . . 121 N CA . 11441 1 567 . 1 1 121 121 ASN CB C 13 37.884 0 . 1 . . . . 121 N CB . 11441 1 568 . 1 1 121 121 ASN N N 15 114.655 0.059 . 1 . . . . 121 N N . 11441 1 569 . 1 1 122 122 PRO C C 13 177.245 0 . 1 . . . . 122 P CO . 11441 1 570 . 1 1 122 122 PRO CA C 13 65.207 0.026 . 1 . . . . 122 P CA . 11441 1 571 . 1 1 122 122 PRO CB C 13 32.124 0.08 . 1 . . . . 122 P CB . 11441 1 572 . 1 1 123 123 ASP H H 1 7.252 0.004 . 1 . . . . 123 D HN . 11441 1 573 . 1 1 123 123 ASP CA C 13 56.795 0.052 . 1 . . . . 123 D CA . 11441 1 574 . 1 1 123 123 ASP CB C 13 41.324 0.008 . 1 . . . . 123 D CB . 11441 1 575 . 1 1 123 123 ASP N N 15 114.013 0.072 . 1 . . . . 123 D N . 11441 1 576 . 1 1 124 124 LEU H H 1 7.439 0.004 . 1 . . . . 124 L HN . 11441 1 577 . 1 1 124 124 LEU C C 13 178.038 0.021 . 1 . . . . 124 L CO . 11441 1 578 . 1 1 124 124 LEU CA C 13 57.789 0.186 . 1 . . . . 124 L CA . 11441 1 579 . 1 1 124 124 LEU CB C 13 42.951 0.033 . 1 . . . . 124 L CB . 11441 1 580 . 1 1 124 124 LEU N N 15 120.251 0.049 . 1 . . . . 124 L N . 11441 1 581 . 1 1 125 125 VAL H H 1 7.278 0.004 . 1 . . . . 125 V HN . 11441 1 582 . 1 1 125 125 VAL C C 13 172.77 0.006 . 1 . . . . 125 V CO . 11441 1 583 . 1 1 125 125 VAL CA C 13 65.851 0.035 . 1 . . . . 125 V CA . 11441 1 584 . 1 1 125 125 VAL CB C 13 31.829 0.034 . 1 . . . . 125 V CB . 11441 1 585 . 1 1 125 125 VAL N N 15 113.333 0.077 . 1 . . . . 125 V N . 11441 1 586 . 1 1 126 126 ALA H H 1 6.885 0.003 . 1 . . . . 126 A HN . 11441 1 587 . 1 1 126 126 ALA C C 13 175.635 0.004 . 1 . . . . 126 A CO . 11441 1 588 . 1 1 126 126 ALA CA C 13 51.017 0.038 . 1 . . . . 126 A CA . 11441 1 589 . 1 1 126 126 ALA CB C 13 20.461 0.047 . 1 . . . . 126 A CB . 11441 1 590 . 1 1 126 126 ALA N N 15 112.755 0.057 . 1 . . . . 126 A N . 11441 1 591 . 1 1 127 127 GLN H H 1 7.282 0.004 . 1 . . . . 127 Q HN . 11441 1 592 . 1 1 127 127 GLN C C 13 176.038 0.014 . 1 . . . . 127 Q CO . 11441 1 593 . 1 1 127 127 GLN CA C 13 55.963 0.028 . 1 . . . . 127 Q CA . 11441 1 594 . 1 1 127 127 GLN CB C 13 30.504 0.039 . 1 . . . . 127 Q CB . 11441 1 595 . 1 1 127 127 GLN N N 15 113.987 0.064 . 1 . . . . 127 Q N . 11441 1 596 . 1 1 128 128 ASP H H 1 7.752 0.003 . 1 . . . . 128 D HN . 11441 1 597 . 1 1 128 128 ASP C C 13 175.536 0.022 . 1 . . . . 128 D CO . 11441 1 598 . 1 1 128 128 ASP CA C 13 52.512 0.053 . 1 . . . . 128 D CA . 11441 1 599 . 1 1 128 128 ASP CB C 13 43.221 0.012 . 1 . . . . 128 D CB . 11441 1 600 . 1 1 128 128 ASP N N 15 120.754 0.066 . 1 . . . . 128 D N . 11441 1 601 . 1 1 129 129 SER H H 1 8.908 0.004 . 1 . . . . 129 S HN . 11441 1 602 . 1 1 129 129 SER C C 13 176.269 0.067 . 1 . . . . 129 S CO . 11441 1 603 . 1 1 129 129 SER CA C 13 60.594 0.047 . 1 . . . . 129 S CA . 11441 1 604 . 1 1 129 129 SER CB C 13 62.227 0.043 . 1 . . . . 129 S CB . 11441 1 605 . 1 1 129 129 SER N N 15 121.862 0.07 . 1 . . . . 129 S N . 11441 1 606 . 1 1 130 130 THR H H 1 8.261 0.004 . 1 . . . . 130 T HN . 11441 1 607 . 1 1 130 130 THR C C 13 177.156 0.037 . 1 . . . . 130 T CO . 11441 1 608 . 1 1 130 130 THR CA C 13 67.366 0.078 . 1 . . . . 130 T CA . 11441 1 609 . 1 1 130 130 THR N N 15 119.829 0.099 . 1 . . . . 130 T N . 11441 1 610 . 1 1 131 131 VAL H H 1 7.984 0.003 . 1 . . . . 131 V HN . 11441 1 611 . 1 1 131 131 VAL C C 13 177.915 0.016 . 1 . . . . 131 V CO . 11441 1 612 . 1 1 131 131 VAL CA C 13 67.652 0.039 . 1 . . . . 131 V CA . 11441 1 613 . 1 1 131 131 VAL CB C 13 30.733 0.057 . 1 . . . . 131 V CB . 11441 1 614 . 1 1 131 131 VAL N N 15 124.479 0.056 . 1 . . . . 131 V N . 11441 1 615 . 1 1 132 132 ALA H H 1 8.691 0.002 . 1 . . . . 132 A HN . 11441 1 616 . 1 1 132 132 ALA C C 13 181.938 0.003 . 1 . . . . 132 A CO . 11441 1 617 . 1 1 132 132 ALA CA C 13 56.778 0.04 . 1 . . . . 132 A CA . 11441 1 618 . 1 1 132 132 ALA CB C 13 17.798 0.031 . 1 . . . . 132 A CB . 11441 1 619 . 1 1 132 132 ALA N N 15 121.981 0.065 . 1 . . . . 132 A N . 11441 1 620 . 1 1 133 133 TRP H H 1 8.668 0.005 . 1 . . . . 133 W HN . 11441 1 621 . 1 1 133 133 TRP C C 13 179.129 0.021 . 1 . . . . 133 W CO . 11441 1 622 . 1 1 133 133 TRP CA C 13 60.967 0.037 . 1 . . . . 133 W CA . 11441 1 623 . 1 1 133 133 TRP CB C 13 31.331 0.056 . 1 . . . . 133 W CB . 11441 1 624 . 1 1 133 133 TRP N N 15 119.039 0.089 . 1 . . . . 133 W N . 11441 1 625 . 1 1 134 134 ARG H H 1 8.952 0.003 . 1 . . . . 134 R HN . 11441 1 626 . 1 1 134 134 ARG C C 13 179.093 0.006 . 1 . . . . 134 R CO . 11441 1 627 . 1 1 134 134 ARG CA C 13 61.728 0.012 . 1 . . . . 134 R CA . 11441 1 628 . 1 1 134 134 ARG CB C 13 30.957 0.023 . 1 . . . . 134 R CB . 11441 1 629 . 1 1 134 134 ARG N N 15 119.227 0.08 . 1 . . . . 134 R N . 11441 1 630 . 1 1 135 135 THR H H 1 8.622 0.004 . 1 . . . . 135 T HN . 11441 1 631 . 1 1 135 135 THR C C 13 175.039 0.002 . 1 . . . . 135 T CO . 11441 1 632 . 1 1 135 135 THR CA C 13 66.458 0.029 . 1 . . . . 135 T CA . 11441 1 633 . 1 1 135 135 THR CB C 13 69.813 0.001 . 1 . . . . 135 T CB . 11441 1 634 . 1 1 135 135 THR N N 15 108.371 0.056 . 1 . . . . 135 T N . 11441 1 635 . 1 1 136 136 ALA H H 1 7.339 0.003 . 1 . . . . 136 A HN . 11441 1 636 . 1 1 136 136 ALA C C 13 179.718 0.006 . 1 . . . . 136 A CO . 11441 1 637 . 1 1 136 136 ALA CA C 13 54.688 0.074 . 1 . . . . 136 A CA . 11441 1 638 . 1 1 136 136 ALA CB C 13 19.934 0.053 . 1 . . . . 136 A CB . 11441 1 639 . 1 1 136 136 ALA N N 15 123.911 0.084 . 1 . . . . 136 A N . 11441 1 640 . 1 1 137 137 LEU H H 1 8.176 0.003 . 1 . . . . 137 L HN . 11441 1 641 . 1 1 137 137 LEU C C 13 177.08 0.003 . 1 . . . . 137 L CO . 11441 1 642 . 1 1 137 137 LEU CA C 13 57.308 0.06 . 1 . . . . 137 L CA . 11441 1 643 . 1 1 137 137 LEU CB C 13 42.577 0.006 . 1 . . . . 137 L CB . 11441 1 644 . 1 1 137 137 LEU N N 15 120.652 0.078 . 1 . . . . 137 L N . 11441 1 645 . 1 1 138 138 TRP H H 1 9.104 0.003 . 1 . . . . 138 W HN . 11441 1 646 . 1 1 138 138 TRP C C 13 176.714 0.002 . 1 . . . . 138 W CO . 11441 1 647 . 1 1 138 138 TRP CA C 13 61.63 0.008 . 1 . . . . 138 W CA . 11441 1 648 . 1 1 138 138 TRP CB C 13 27.873 0.001 . 1 . . . . 138 W CB . 11441 1 649 . 1 1 138 138 TRP N N 15 120.745 0.059 . 1 . . . . 138 W N . 11441 1 650 . 1 1 139 139 PHE H H 1 7.802 0.002 . 1 . . . . 139 F HN . 11441 1 651 . 1 1 139 139 PHE CA C 13 61.781 0.06 . 1 . . . . 139 F CA . 11441 1 652 . 1 1 139 139 PHE CB C 13 40.343 0.046 . 1 . . . . 139 F CB . 11441 1 653 . 1 1 139 139 PHE N N 15 119.63 0.037 . 1 . . . . 139 F N . 11441 1 654 . 1 1 140 140 TRP H H 1 7.85 0.004 . 1 . . . . 140 W HN . 11441 1 655 . 1 1 140 140 TRP C C 13 177.989 0.016 . 1 . . . . 140 W CO . 11441 1 656 . 1 1 140 140 TRP CA C 13 60.801 0.026 . 1 . . . . 140 W CA . 11441 1 657 . 1 1 140 140 TRP CB C 13 30.77 0.027 . 1 . . . . 140 W CB . 11441 1 658 . 1 1 140 140 TRP N N 15 117.336 0.073 . 1 . . . . 140 W N . 11441 1 659 . 1 1 141 141 MET H H 1 8.228 0.005 . 1 . . . . 141 M HN . 11441 1 660 . 1 1 141 141 MET C C 13 179.477 0.014 . 1 . . . . 141 M CO . 11441 1 661 . 1 1 141 141 MET CA C 13 55.003 0.061 . 1 . . . . 141 M CA . 11441 1 662 . 1 1 141 141 MET CB C 13 29.542 0.084 . 1 . . . . 141 M CB . 11441 1 663 . 1 1 141 141 MET N N 15 114.26 0.095 . 1 . . . . 141 M N . 11441 1 664 . 1 1 142 142 LYS H H 1 9.287 0.003 . 1 . . . . 142 K HN . 11441 1 665 . 1 1 142 142 LYS C C 13 179.013 0.005 . 1 . . . . 142 K CO . 11441 1 666 . 1 1 142 142 LYS CA C 13 57.954 0.046 . 1 . . . . 142 K CA . 11441 1 667 . 1 1 142 142 LYS CB C 13 31.536 0.049 . 1 . . . . 142 K CB . 11441 1 668 . 1 1 142 142 LYS N N 15 124.238 0.062 . 1 . . . . 142 K N . 11441 1 669 . 1 1 143 143 ARG H H 1 7.613 0.004 . 1 . . . . 143 R HN . 11441 1 670 . 1 1 143 143 ARG C C 13 175.565 0.007 . 1 . . . . 143 R CO . 11441 1 671 . 1 1 143 143 ARG CA C 13 54.403 0.043 . 1 . . . . 143 R CA . 11441 1 672 . 1 1 143 143 ARG CB C 13 27.064 0.041 . 1 . . . . 143 R CB . 11441 1 673 . 1 1 143 143 ARG N N 15 113.512 0.053 . 1 . . . . 143 R N . 11441 1 674 . 1 1 144 144 ASP H H 1 7.038 0.003 . 1 . . . . 144 D HN . 11441 1 675 . 1 1 144 144 ASP C C 13 177.966 0.001 . 1 . . . . 144 D CO . 11441 1 676 . 1 1 144 144 ASP CA C 13 55.966 0.058 . 1 . . . . 144 D CA . 11441 1 677 . 1 1 144 144 ASP CB C 13 38.936 0.068 . 1 . . . . 144 D CB . 11441 1 678 . 1 1 144 144 ASP N N 15 112.043 0.071 . 1 . . . . 144 D N . 11441 1 679 . 1 1 145 145 CYS H H 1 7.422 0.004 . 1 . . . . 145 C HN . 11441 1 680 . 1 1 145 145 CYS C C 13 176.404 0.008 . 1 . . . . 145 C CO . 11441 1 681 . 1 1 145 145 CYS CA C 13 62.584 0.037 . 1 . . . . 145 C CA . 11441 1 682 . 1 1 145 145 CYS CB C 13 24.505 0.043 . 1 . . . . 145 C CB . 11441 1 683 . 1 1 145 145 CYS N N 15 118.476 0.055 . 1 . . . . 145 C N . 11441 1 684 . 1 1 146 146 HIS H H 1 6.633 0.003 . 1 . . . . 146 H HN . 11441 1 685 . 1 1 146 146 HIS C C 13 176.352 0.026 . 1 . . . . 146 H CO . 11441 1 686 . 1 1 146 146 HIS CA C 13 58.333 0.061 . 1 . . . . 146 H CA . 11441 1 687 . 1 1 146 146 HIS CB C 13 30.417 0.061 . 1 . . . . 146 H CB . 11441 1 688 . 1 1 146 146 HIS N N 15 113.897 0.056 . 1 . . . . 146 H N . 11441 1 689 . 1 1 147 147 GLY H H 1 7.642 0.003 . 1 . . . . 147 G HN . 11441 1 690 . 1 1 147 147 GLY C C 13 174.156 0.011 . 1 . . . . 147 G CO . 11441 1 691 . 1 1 147 147 GLY CA C 13 46.511 0.068 . 1 . . . . 147 G CA . 11441 1 692 . 1 1 147 147 GLY N N 15 109.518 0.083 . 1 . . . . 147 G N . 11441 1 693 . 1 1 148 148 ALA H H 1 6.664 0.004 . 1 . . . . 148 A HN . 11441 1 694 . 1 1 148 148 ALA C C 13 179.57 0.015 . 1 . . . . 148 A CO . 11441 1 695 . 1 1 148 148 ALA CA C 13 54.487 0.046 . 1 . . . . 148 A CA . 11441 1 696 . 1 1 148 148 ALA CB C 13 16.85 0.021 . 1 . . . . 148 A CB . 11441 1 697 . 1 1 148 148 ALA N N 15 121.939 0.054 . 1 . . . . 148 A N . 11441 1 698 . 1 1 149 149 ILE H H 1 7.446 0.003 . 1 . . . . 149 I HN . 11441 1 699 . 1 1 149 149 ILE C C 13 174.145 0.003 . 1 . . . . 149 I CO . 11441 1 700 . 1 1 149 149 ILE CA C 13 58.442 0.015 . 1 . . . . 149 I CA . 11441 1 701 . 1 1 149 149 ILE CB C 13 39.481 0.097 . 1 . . . . 149 I CB . 11441 1 702 . 1 1 149 149 ILE N N 15 112.95 0.092 . 1 . . . . 149 I N . 11441 1 703 . 1 1 150 150 THR H H 1 6.906 0.004 . 1 . . . . 150 T HN . 11441 1 704 . 1 1 150 150 THR C C 13 172.412 0.006 . 1 . . . . 150 T CO . 11441 1 705 . 1 1 150 150 THR CA C 13 61.863 0.028 . 1 . . . . 150 T CA . 11441 1 706 . 1 1 150 150 THR CB C 13 68.901 0.052 . 1 . . . . 150 T CB . 11441 1 707 . 1 1 150 150 THR N N 15 107.563 0.072 . 1 . . . . 150 T N . 11441 1 708 . 1 1 151 151 ALA H H 1 6.415 0.003 . 1 . . . . 151 A HN . 11441 1 709 . 1 1 151 151 ALA C C 13 174.462 0 . 1 . . . . 151 A CO . 11441 1 710 . 1 1 151 151 ALA CA C 13 52.04 0.047 . 1 . . . . 151 A CA . 11441 1 711 . 1 1 151 151 ALA CB C 13 19.377 0.033 . 1 . . . . 151 A CB . 11441 1 712 . 1 1 151 151 ALA N N 15 123.556 0.071 . 1 . . . . 151 A N . 11441 1 713 . 1 1 152 152 SER H H 1 7.926 0.002 . 1 . . . . 152 S HN . 11441 1 714 . 1 1 152 152 SER C C 13 173.258 0 . 1 . . . . 152 S CO . 11441 1 715 . 1 1 152 152 SER CA C 13 53.315 0.008 . 1 . . . . 152 S CA . 11441 1 716 . 1 1 152 152 SER CB C 13 64.156 0 . 1 . . . . 152 S CB . 11441 1 717 . 1 1 152 152 SER N N 15 111.103 0.074 . 1 . . . . 152 S N . 11441 1 718 . 1 1 154 154 PRO C C 13 178.094 0 . 1 . . . . 154 P CO . 11441 1 719 . 1 1 154 154 PRO CA C 13 63.461 0.019 . 1 . . . . 154 P CA . 11441 1 720 . 1 1 154 154 PRO CB C 13 32.255 0.035 . 1 . . . . 154 P CB . 11441 1 721 . 1 1 155 155 SER H H 1 7.788 0.004 . 1 . . . . 155 S HN . 11441 1 722 . 1 1 155 155 SER C C 13 173.525 0.03 . 1 . . . . 155 S CO . 11441 1 723 . 1 1 155 155 SER CA C 13 55.322 0.097 . 1 . . . . 155 S CA . 11441 1 724 . 1 1 155 155 SER CB C 13 64.03 0.052 . 1 . . . . 155 S CB . 11441 1 725 . 1 1 155 155 SER N N 15 116.344 0.073 . 1 . . . . 155 S N . 11441 1 726 . 1 1 156 156 PHE H H 1 8.045 0.003 . 1 . . . . 156 F HN . 11441 1 727 . 1 1 156 156 PHE C C 13 180.562 0.002 . 1 . . . . 156 F CO . 11441 1 728 . 1 1 156 156 PHE CA C 13 62.59 0.025 . 1 . . . . 156 F CA . 11441 1 729 . 1 1 156 156 PHE CB C 13 39.208 0.052 . 1 . . . . 156 F CB . 11441 1 730 . 1 1 156 156 PHE N N 15 127.642 0.087 . 1 . . . . 156 F N . 11441 1 731 . 1 1 157 157 SER H H 1 8.687 0.003 . 1 . . . . 157 S HN . 11441 1 732 . 1 1 157 157 SER C C 13 176.252 0 . 1 . . . . 157 S CO . 11441 1 733 . 1 1 157 157 SER CA C 13 61.48 0.061 . 1 . . . . 157 S CA . 11441 1 734 . 1 1 157 157 SER CB C 13 64.044 0 . 1 . . . . 157 S CB . 11441 1 735 . 1 1 157 157 SER N N 15 119.088 0.049 . 1 . . . . 157 S N . 11441 1 736 . 1 1 158 158 GLY H H 1 7.86 0.001 . 1 . . . . 158 G HN . 11441 1 737 . 1 1 158 158 GLY C C 13 176.295 0.053 . 1 . . . . 158 G CO . 11441 1 738 . 1 1 158 158 GLY CA C 13 46.758 0.053 . 1 . . . . 158 G CA . 11441 1 739 . 1 1 158 158 GLY N N 15 109.258 0.035 . 1 . . . . 158 G N . 11441 1 740 . 1 1 159 159 THR H H 1 7.393 0.003 . 1 . . . . 159 T HN . 11441 1 741 . 1 1 159 159 THR C C 13 174.584 0.04 . 1 . . . . 159 T CO . 11441 1 742 . 1 1 159 159 THR CA C 13 64.78 0.022 . 1 . . . . 159 T CA . 11441 1 743 . 1 1 159 159 THR CB C 13 67.783 0.008 . 1 . . . . 159 T CB . 11441 1 744 . 1 1 159 159 THR N N 15 113.074 0.061 . 1 . . . . 159 T N . 11441 1 745 . 1 1 160 160 ILE H H 1 6.548 0.003 . 1 . . . . 160 T HN . 11441 1 746 . 1 1 160 160 ILE C C 13 178.219 0 . 1 . . . . 160 T CO . 11441 1 747 . 1 1 160 160 ILE CA C 13 65.884 0.065 . 1 . . . . 160 T CA . 11441 1 748 . 1 1 160 160 ILE CB C 13 37.432 0.024 . 1 . . . . 160 T CB . 11441 1 749 . 1 1 160 160 ILE N N 15 123.189 0.077 . 1 . . . . 160 T N . 11441 1 750 . 1 1 161 161 ARG H H 1 7.994 0.004 . 1 . . . . 161 R HN . 11441 1 751 . 1 1 161 161 ARG C C 13 179.453 0.008 . 1 . . . . 161 R CO . 11441 1 752 . 1 1 161 161 ARG CA C 13 59.486 0.036 . 1 . . . . 161 R CA . 11441 1 753 . 1 1 161 161 ARG CB C 13 30.124 0.142 . 1 . . . . 161 R CB . 11441 1 754 . 1 1 161 161 ARG N N 15 117.232 0.08 . 1 . . . . 161 R N . 11441 1 755 . 1 1 162 162 ILE H H 1 7.29 0.004 . 1 . . . . 162 I HN . 11441 1 756 . 1 1 162 162 ILE C C 13 177.383 0.048 . 1 . . . . 162 I CO . 11441 1 757 . 1 1 162 162 ILE CA C 13 64.821 0.08 . 1 . . . . 162 I CA . 11441 1 758 . 1 1 162 162 ILE CB C 13 38.933 0.077 . 1 . . . . 162 I CB . 11441 1 759 . 1 1 162 162 ILE N N 15 119.387 0.064 . 1 . . . . 162 I N . 11441 1 760 . 1 1 163 163 ILE H H 1 7.89 0.003 . 1 . . . . 163 I HN . 11441 1 761 . 1 1 163 163 ILE C C 13 177.252 0.012 . 1 . . . . 163 I CO . 11441 1 762 . 1 1 163 163 ILE CA C 13 65.788 0.031 . 1 . . . . 163 I CA . 11441 1 763 . 1 1 163 163 ILE CB C 13 39.013 0.004 . 1 . . . . 163 I CB . 11441 1 764 . 1 1 163 163 ILE N N 15 119.613 0.098 . 1 . . . . 163 I N . 11441 1 765 . 1 1 164 164 ASN H H 1 8.694 0.002 . 1 . . . . 164 N HN . 11441 1 766 . 1 1 164 164 ASN C C 13 176.452 0 . 1 . . . . 164 N CO . 11441 1 767 . 1 1 164 164 ASN CA C 13 52.213 0.011 . 1 . . . . 164 N CA . 11441 1 768 . 1 1 164 164 ASN CB C 13 39.192 0.036 . 1 . . . . 164 N CB . 11441 1 769 . 1 1 164 164 ASN N N 15 114.896 0.072 . 1 . . . . 164 N N . 11441 1 770 . 1 1 165 165 GLY H H 1 7.847 0.001 . 1 . . . . 165 G HN . 11441 1 771 . 1 1 165 165 GLY C C 13 175.57 0.016 . 1 . . . . 165 G CO . 11441 1 772 . 1 1 165 165 GLY CA C 13 49.383 0.034 . 1 . . . . 165 G CA . 11441 1 773 . 1 1 165 165 GLY N N 15 109.423 0.058 . 1 . . . . 165 G N . 11441 1 774 . 1 1 166 166 GLY H H 1 8.727 0.004 . 1 . . . . 166 G HN . 11441 1 775 . 1 1 166 166 GLY C C 13 174.797 0.003 . 1 . . . . 166 G CO . 11441 1 776 . 1 1 166 166 GLY CA C 13 46.78 0.084 . 1 . . . . 166 G CA . 11441 1 777 . 1 1 166 166 GLY N N 15 107.86 0.051 . 1 . . . . 166 G N . 11441 1 778 . 1 1 167 167 LEU H H 1 6.953 0.003 . 1 . . . . 167 L HN . 11441 1 779 . 1 1 167 167 LEU C C 13 177.573 0.016 . 1 . . . . 167 L CO . 11441 1 780 . 1 1 167 167 LEU CA C 13 54.779 0.095 . 1 . . . . 167 L CA . 11441 1 781 . 1 1 167 167 LEU CB C 13 43.655 0.069 . 1 . . . . 167 L CB . 11441 1 782 . 1 1 167 167 LEU N N 15 117.151 0.085 . 1 . . . . 167 L N . 11441 1 783 . 1 1 168 168 GLU H H 1 7.453 0.006 . 1 . . . . 168 E HN . 11441 1 784 . 1 1 168 168 GLU C C 13 176.37 0.005 . 1 . . . . 168 E CO . 11441 1 785 . 1 1 168 168 GLU CA C 13 57.744 0.087 . 1 . . . . 168 E CA . 11441 1 786 . 1 1 168 168 GLU CB C 13 32.508 0 . 1 . . . . 168 E CB . 11441 1 787 . 1 1 168 168 GLU N N 15 114.149 0.066 . 1 . . . . 168 E N . 11441 1 788 . 1 1 169 169 CYS H H 1 7.993 0.002 . 1 . . . . 169 C HN . 11441 1 789 . 1 1 169 169 CYS C C 13 175.845 0.008 . 1 . . . . 169 C CO . 11441 1 790 . 1 1 169 169 CYS CA C 13 51.04 0.052 . 1 . . . . 169 C CA . 11441 1 791 . 1 1 169 169 CYS CB C 13 36.872 0.038 . 1 . . . . 169 C CB . 11441 1 792 . 1 1 169 169 CYS N N 15 113.861 0.066 . 1 . . . . 169 C N . 11441 1 793 . 1 1 170 170 ASN H H 1 10.415 0.003 . 1 . . . . 170 N HN . 11441 1 794 . 1 1 170 170 ASN C C 13 174.699 0 . 1 . . . . 170 N CO . 11441 1 795 . 1 1 170 170 ASN CA C 13 54.547 0.04 . 1 . . . . 170 N CA . 11441 1 796 . 1 1 170 170 ASN CB C 13 37.43 0.087 . 1 . . . . 170 N CB . 11441 1 797 . 1 1 170 170 ASN N N 15 120.392 0.102 . 1 . . . . 170 N N . 11441 1 798 . 1 1 171 171 GLN H H 1 8.422 0.002 . 1 . . . . 171 Q HN . 11441 1 799 . 1 1 171 171 GLN CA C 13 51.933 0.033 . 1 . . . . 171 Q CA . 11441 1 800 . 1 1 171 171 GLN CB C 13 29.162 0 . 1 . . . . 171 Q CB . 11441 1 801 . 1 1 171 171 GLN N N 15 116.703 0.063 . 1 . . . . 171 Q N . 11441 1 802 . 1 1 172 172 PRO C C 13 177.595 0.009 . 1 . . . . 172 P CO . 11441 1 803 . 1 1 172 172 PRO CA C 13 62.124 0.016 . 1 . . . . 172 P CA . 11441 1 804 . 1 1 172 172 PRO CB C 13 32.149 0.055 . 1 . . . . 172 P CB . 11441 1 805 . 1 1 173 173 ALA H H 1 8.796 0.003 . 1 . . . . 173 A HN . 11441 1 806 . 1 1 173 173 ALA C C 13 178.973 0.01 . 1 . . . . 173 A CO . 11441 1 807 . 1 1 173 173 ALA CA C 13 53.557 0.035 . 1 . . . . 173 A CA . 11441 1 808 . 1 1 173 173 ALA CB C 13 17.6 0.039 . 1 . . . . 173 A CB . 11441 1 809 . 1 1 173 173 ALA N N 15 127.219 0.075 . 1 . . . . 173 A N . 11441 1 810 . 1 1 174 174 GLY H H 1 8.749 0.002 . 1 . . . . 174 G HN . 11441 1 811 . 1 1 174 174 GLY C C 13 173.854 0.003 . 1 . . . . 174 G CO . 11441 1 812 . 1 1 174 174 GLY CA C 13 45.306 0.031 . 1 . . . . 174 G CA . 11441 1 813 . 1 1 174 174 GLY N N 15 111.71 0.071 . 1 . . . . 174 G N . 11441 1 814 . 1 1 175 175 SER H H 1 7.812 0.004 . 1 . . . . 175 S HN . 11441 1 815 . 1 1 175 175 SER C C 13 174.896 0.037 . 1 . . . . 175 S CO . 11441 1 816 . 1 1 175 175 SER CA C 13 57.914 0.026 . 1 . . . . 175 S CA . 11441 1 817 . 1 1 175 175 SER CB C 13 65.633 0.019 . 1 . . . . 175 S CB . 11441 1 818 . 1 1 175 175 SER N N 15 115.076 0.074 . 1 . . . . 175 S N . 11441 1 819 . 1 1 176 176 ILE H H 1 8.844 0.003 . 1 . . . . 176 I HN . 11441 1 820 . 1 1 176 176 ILE C C 13 178.287 0.009 . 1 . . . . 176 I CO . 11441 1 821 . 1 1 176 176 ILE CA C 13 64.308 0.028 . 1 . . . . 176 I CA . 11441 1 822 . 1 1 176 176 ILE CB C 13 37.596 0.031 . 1 . . . . 176 I CB . 11441 1 823 . 1 1 176 176 ILE N N 15 121.869 0.073 . 1 . . . . 176 I N . 11441 1 824 . 1 1 177 177 GLY H H 1 8.875 0.003 . 1 . . . . 177 G HN . 11441 1 825 . 1 1 177 177 GLY C C 13 175.073 0.006 . 1 . . . . 177 G CO . 11441 1 826 . 1 1 177 177 GLY CA C 13 47.347 0.057 . 1 . . . . 177 G CA . 11441 1 827 . 1 1 177 177 GLY N N 15 108.088 0.051 . 1 . . . . 177 G N . 11441 1 828 . 1 1 178 178 ASN H H 1 7.154 0.004 . 1 . . . . 178 S HN . 11441 1 829 . 1 1 178 178 ASN C C 13 176.202 0.008 . 1 . . . . 178 S CO . 11441 1 830 . 1 1 178 178 ASN CA C 13 57.298 0.078 . 1 . . . . 178 S CA . 11441 1 831 . 1 1 178 178 ASN CB C 13 41.988 0.018 . 1 . . . . 178 S CB . 11441 1 832 . 1 1 178 178 ASN N N 15 118.738 0.081 . 1 . . . . 178 S N . 11441 1 833 . 1 1 179 179 MET H H 1 8.283 0.003 . 1 . . . . 179 M HN . 11441 1 834 . 1 1 179 179 MET C C 13 178.773 0.003 . 1 . . . . 179 M CO . 11441 1 835 . 1 1 179 179 MET CA C 13 58.665 0.005 . 1 . . . . 179 M CA . 11441 1 836 . 1 1 179 179 MET CB C 13 32.112 0.012 . 1 . . . . 179 M CB . 11441 1 837 . 1 1 179 179 MET N N 15 117.275 0.06 . 1 . . . . 179 M N . 11441 1 838 . 1 1 180 180 GLN H H 1 7.812 0.003 . 1 . . . . 180 Q HN . 11441 1 839 . 1 1 180 180 GLN C C 13 176.456 0.03 . 1 . . . . 180 Q CO . 11441 1 840 . 1 1 180 180 GLN CA C 13 59.68 0.046 . 1 . . . . 180 Q CA . 11441 1 841 . 1 1 180 180 GLN CB C 13 27.567 0.066 . 1 . . . . 180 Q CB . 11441 1 842 . 1 1 180 180 GLN N N 15 119.973 0.056 . 1 . . . . 180 Q N . 11441 1 843 . 1 1 181 181 MET H H 1 7.626 0.003 . 1 . . . . 181 M HN . 11441 1 844 . 1 1 181 181 MET C C 13 178.41 0.008 . 1 . . . . 181 M CO . 11441 1 845 . 1 1 181 181 MET CA C 13 60.457 0.093 . 1 . . . . 181 M CA . 11441 1 846 . 1 1 181 181 MET CB C 13 29.46 0.08 . 1 . . . . 181 M CB . 11441 1 847 . 1 1 181 181 MET N N 15 121.656 0.055 . 1 . . . . 181 M N . 11441 1 848 . 1 1 182 182 GLU H H 1 8.31 0.002 . 1 . . . . 182 E HN . 11441 1 849 . 1 1 182 182 GLU C C 13 179.67 0.004 . 1 . . . . 182 E CO . 11441 1 850 . 1 1 182 182 GLU CA C 13 58.377 0.086 . 1 . . . . 182 E CA . 11441 1 851 . 1 1 182 182 GLU CB C 13 28.946 0.06 . 1 . . . . 182 E CB . 11441 1 852 . 1 1 182 182 GLU N N 15 116.325 0.066 . 1 . . . . 182 E N . 11441 1 853 . 1 1 183 183 ASN H H 1 8.117 0.004 . 1 . . . . 183 N HN . 11441 1 854 . 1 1 183 183 ASN C C 13 176.241 0.008 . 1 . . . . 183 N CO . 11441 1 855 . 1 1 183 183 ASN CA C 13 55.417 0.045 . 1 . . . . 183 N CA . 11441 1 856 . 1 1 183 183 ASN CB C 13 37.036 0.006 . 1 . . . . 183 N CB . 11441 1 857 . 1 1 183 183 ASN N N 15 120.166 0.042 . 1 . . . . 183 N N . 11441 1 858 . 1 1 184 184 ARG H H 1 7.62 0.002 . 1 . . . . 184 R HN . 11441 1 859 . 1 1 184 184 ARG C C 13 177.856 0.006 . 1 . . . . 184 R CO . 11441 1 860 . 1 1 184 184 ARG CA C 13 60.921 0.011 . 1 . . . . 184 R CA . 11441 1 861 . 1 1 184 184 ARG CB C 13 29.713 0.016 . 1 . . . . 184 R CB . 11441 1 862 . 1 1 184 184 ARG N N 15 117.772 0.052 . 1 . . . . 184 R N . 11441 1 863 . 1 1 185 185 VAL H H 1 7.641 0.002 . 1 . . . . 185 V HN . 11441 1 864 . 1 1 185 185 VAL C C 13 179.136 0.015 . 1 . . . . 185 V CO . 11441 1 865 . 1 1 185 185 VAL CA C 13 67.224 0.004 . 1 . . . . 185 V CA . 11441 1 866 . 1 1 185 185 VAL CB C 13 31.585 0.037 . 1 . . . . 185 V CB . 11441 1 867 . 1 1 185 185 VAL N N 15 117.47 0.043 . 1 . . . . 185 V N . 11441 1 868 . 1 1 186 186 THR H H 1 8.876 0.004 . 1 . . . . 186 T HN . 11441 1 869 . 1 1 186 186 THR C C 13 175.378 0 . 1 . . . . 186 T CO . 11441 1 870 . 1 1 186 186 THR CA C 13 67.234 0.405 . 1 . . . . 186 T CA . 11441 1 871 . 1 1 186 186 THR CB C 13 68.089 0 . 1 . . . . 186 T CB . 11441 1 872 . 1 1 186 186 THR N N 15 121.687 0.064 . 1 . . . . 186 T N . 11441 1 873 . 1 1 187 187 TYR H H 1 7.998 0.002 . 1 . . . . 187 Y HN . 11441 1 874 . 1 1 187 187 TYR C C 13 176.251 0.02 . 1 . . . . 187 Y CO . 11441 1 875 . 1 1 187 187 TYR CA C 13 57.989 0.095 . 1 . . . . 187 Y CA . 11441 1 876 . 1 1 187 187 TYR CB C 13 36.788 0 . 1 . . . . 187 Y CB . 11441 1 877 . 1 1 187 187 TYR N N 15 120.34 0.051 . 1 . . . . 187 Y N . 11441 1 878 . 1 1 188 188 TYR H H 1 8.316 0.003 . 1 . . . . 188 Y HN . 11441 1 879 . 1 1 188 188 TYR C C 13 177.933 0.004 . 1 . . . . 188 Y CO . 11441 1 880 . 1 1 188 188 TYR CA C 13 60.197 0.026 . 1 . . . . 188 Y CA . 11441 1 881 . 1 1 188 188 TYR CB C 13 39.357 0.029 . 1 . . . . 188 Y CB . 11441 1 882 . 1 1 188 188 TYR N N 15 117.264 0.07 . 1 . . . . 188 Y N . 11441 1 883 . 1 1 189 189 THR H H 1 8.457 0.003 . 1 . . . . 189 T HN . 11441 1 884 . 1 1 189 189 THR C C 13 177.601 0.004 . 1 . . . . 189 T CO . 11441 1 885 . 1 1 189 189 THR CA C 13 66.752 0.044 . 1 . . . . 189 T CA . 11441 1 886 . 1 1 189 189 THR CB C 13 68.593 0.022 . 1 . . . . 189 T CB . 11441 1 887 . 1 1 189 189 THR N N 15 111.473 0.078 . 1 . . . . 189 T N . 11441 1 888 . 1 1 190 190 GLN H H 1 8.265 0.002 . 1 . . . . 190 Q HN . 11441 1 889 . 1 1 190 190 GLN C C 13 179.025 0.014 . 1 . . . . 190 Q CO . 11441 1 890 . 1 1 190 190 GLN CA C 13 65.795 0 . 1 . . . . 190 Q CA . 11441 1 891 . 1 1 190 190 GLN CB C 13 27.64 0.019 . 1 . . . . 190 Q CB . 11441 1 892 . 1 1 190 190 GLN N N 15 124.233 0.079 . 1 . . . . 190 Q N . 11441 1 893 . 1 1 191 191 PHE H H 1 8.579 0.002 . 1 . . . . 191 F HN . 11441 1 894 . 1 1 191 191 PHE C C 13 179.332 0.016 . 1 . . . . 191 F CO . 11441 1 895 . 1 1 191 191 PHE CA C 13 57.22 0.158 . 1 . . . . 191 F CA . 11441 1 896 . 1 1 191 191 PHE CB C 13 35.518 0.02 . 1 . . . . 191 F CB . 11441 1 897 . 1 1 191 191 PHE N N 15 122.568 0.077 . 1 . . . . 191 F N . 11441 1 898 . 1 1 192 192 CYS H H 1 8.494 0.003 . 1 . . . . 192 C HN . 11441 1 899 . 1 1 192 192 CYS C C 13 177.262 0.001 . 1 . . . . 192 C CO . 11441 1 900 . 1 1 192 192 CYS CA C 13 65.573 0.023 . 1 . . . . 192 C CA . 11441 1 901 . 1 1 192 192 CYS CB C 13 25.807 0.054 . 1 . . . . 192 C CB . 11441 1 902 . 1 1 192 192 CYS N N 15 118.796 0.11 . 1 . . . . 192 C N . 11441 1 903 . 1 1 193 193 GLN H H 1 7.815 0.005 . 1 . . . . 193 Q HN . 11441 1 904 . 1 1 193 193 GLN C C 13 180.195 0.007 . 1 . . . . 193 Q CO . 11441 1 905 . 1 1 193 193 GLN CA C 13 59.367 0.153 . 1 . . . . 193 Q CA . 11441 1 906 . 1 1 193 193 GLN CB C 13 27.523 0.096 . 1 . . . . 193 Q CB . 11441 1 907 . 1 1 193 193 GLN N N 15 119.996 0.087 . 1 . . . . 193 Q N . 11441 1 908 . 1 1 194 194 THR H H 1 8.237 0.004 . 1 . . . . 194 T HN . 11441 1 909 . 1 1 194 194 THR C C 13 176.242 0.019 . 1 . . . . 194 T CO . 11441 1 910 . 1 1 194 194 THR CA C 13 67.044 0.016 . 1 . . . . 194 T CA . 11441 1 911 . 1 1 194 194 THR CB C 13 69.171 0.003 . 1 . . . . 194 T CB . 11441 1 912 . 1 1 194 194 THR N N 15 117.835 0.089 . 1 . . . . 194 T N . 11441 1 913 . 1 1 195 195 LEU H H 1 7.586 0.003 . 1 . . . . 195 L HN . 11441 1 914 . 1 1 195 195 LEU C C 13 175.876 0 . 1 . . . . 195 L CO . 11441 1 915 . 1 1 195 195 LEU CA C 13 54.777 0.077 . 1 . . . . 195 L CA . 11441 1 916 . 1 1 195 195 LEU CB C 13 42.545 0.014 . 1 . . . . 195 L CB . 11441 1 917 . 1 1 195 195 LEU N N 15 115.959 0.085 . 1 . . . . 195 L N . 11441 1 918 . 1 1 196 196 GLY H H 1 7.989 0.002 . 1 . . . . 196 G HN . 11441 1 919 . 1 1 196 196 GLY C C 13 173.804 0.003 . 1 . . . . 196 G CO . 11441 1 920 . 1 1 196 196 GLY CA C 13 46.656 0.07 . 1 . . . . 196 G CA . 11441 1 921 . 1 1 196 196 GLY N N 15 109.911 0.055 . 1 . . . . 196 G N . 11441 1 922 . 1 1 197 197 VAL H H 1 7.821 0.003 . 1 . . . . 197 V HN . 11441 1 923 . 1 1 197 197 VAL C C 13 172.396 0 . 1 . . . . 197 V CO . 11441 1 924 . 1 1 197 197 VAL CA C 13 58.08 0.036 . 1 . . . . 197 V CA . 11441 1 925 . 1 1 197 197 VAL CB C 13 36.159 0.058 . 1 . . . . 197 V CB . 11441 1 926 . 1 1 197 197 VAL N N 15 118.201 0.066 . 1 . . . . 197 V N . 11441 1 927 . 1 1 198 198 ASP H H 1 8.347 0.004 . 1 . . . . 198 D HN . 11441 1 928 . 1 1 198 198 ASP C C 13 174.969 0 . 1 . . . . 198 D CO . 11441 1 929 . 1 1 198 198 ASP CA C 13 51.53 0 . 1 . . . . 198 D CA . 11441 1 930 . 1 1 198 198 ASP N N 15 128.982 0.099 . 1 . . . . 198 D N . 11441 1 931 . 1 1 199 199 PRO C C 13 178.439 0 . 1 . . . . 199 P CO . 11441 1 932 . 1 1 199 199 PRO CA C 13 63.348 0.011 . 1 . . . . 199 P CA . 11441 1 933 . 1 1 199 199 PRO CB C 13 33.754 0 . 1 . . . . 199 P CB . 11441 1 934 . 1 1 200 200 GLY H H 1 8.129 0.003 . 1 . . . . 200 G HN . 11441 1 935 . 1 1 200 200 GLY C C 13 173.168 0.014 . 1 . . . . 200 G CO . 11441 1 936 . 1 1 200 200 GLY CA C 13 43.361 0.022 . 1 . . . . 200 G CA . 11441 1 937 . 1 1 200 200 GLY N N 15 107.156 0.067 . 1 . . . . 200 G N . 11441 1 938 . 1 1 201 201 THR H H 1 7.755 0.002 . 1 . . . . 201 T HN . 11441 1 939 . 1 1 201 201 THR C C 13 176.007 0.002 . 1 . . . . 201 T CO . 11441 1 940 . 1 1 201 201 THR CA C 13 61.643 0.093 . 1 . . . . 201 T CA . 11441 1 941 . 1 1 201 201 THR CB C 13 69.671 0.029 . 1 . . . . 201 T CB . 11441 1 942 . 1 1 201 201 THR N N 15 104.66 0.073 . 1 . . . . 201 T N . 11441 1 943 . 1 1 202 202 ASP H H 1 8.546 0.004 . 1 . . . . 202 D HN . 11441 1 944 . 1 1 202 202 ASP C C 13 175.363 0.005 . 1 . . . . 202 D CO . 11441 1 945 . 1 1 202 202 ASP CA C 13 52.852 0.064 . 1 . . . . 202 D CA . 11441 1 946 . 1 1 202 202 ASP CB C 13 39.033 0.043 . 1 . . . . 202 D CB . 11441 1 947 . 1 1 202 202 ASP N N 15 125.807 0.073 . 1 . . . . 202 D N . 11441 1 948 . 1 1 203 203 LEU H H 1 7.854 0.002 . 1 . . . . 203 L HN . 11441 1 949 . 1 1 203 203 LEU C C 13 174.151 0.008 . 1 . . . . 203 L CO . 11441 1 950 . 1 1 203 203 LEU CA C 13 57.164 0.055 . 1 . . . . 203 L CA . 11441 1 951 . 1 1 203 203 LEU CB C 13 44.895 0.026 . 1 . . . . 203 L CB . 11441 1 952 . 1 1 203 203 LEU N N 15 122.607 0.055 . 1 . . . . 203 L N . 11441 1 953 . 1 1 204 204 ARG H H 1 7.708 0.004 . 1 . . . . 204 R HN . 11441 1 954 . 1 1 204 204 ARG C C 13 176.21 0.001 . 1 . . . . 204 R CO . 11441 1 955 . 1 1 204 204 ARG CA C 13 55.147 0.032 . 1 . . . . 204 R CA . 11441 1 956 . 1 1 204 204 ARG CB C 13 32.914 0.099 . 1 . . . . 204 R CB . 11441 1 957 . 1 1 204 204 ARG N N 15 111.706 0.066 . 1 . . . . 204 R N . 11441 1 958 . 1 1 205 205 CYS H H 1 7.492 0.003 . 1 . . . . 205 C HN . 11441 1 959 . 1 1 205 205 CYS C C 13 178.066 0 . 1 . . . . 205 C CO . 11441 1 960 . 1 1 205 205 CYS CA C 13 56.801 0.007 . 1 . . . . 205 C CA . 11441 1 961 . 1 1 205 205 CYS CB C 13 47.263 0 . 1 . . . . 205 C CB . 11441 1 962 . 1 1 205 205 CYS N N 15 119.962 0.072 . 1 . . . . 205 C N . 11441 1 stop_ save_