data_5263 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5263 _Entry.Title ; Backbone 1H, 13C, 15N chemical Shift assignments fo the CBM28 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2002-01-21 _Entry.Accession_date 2002-01-22 _Entry.Last_release_date 2002-08-22 _Entry.Original_release_date 2002-08-22 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Amor Mosbah . . . 5263 2 Chantal Tardif . . . 5263 3 Olivier Bornet . . . 5263 4 Odile Valette . . . 5263 5 Bernard Henrissat . . . 5263 6 Herve Darbon . . . 5263 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 5263 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 318 5263 '15N chemical shifts' 175 5263 '1H chemical shifts' 646 5263 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2002-08-22 2002-01-21 original author . 5263 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5263 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Letter to the Editor: Assignment of the 1H, 13C, and 15N resonances of the 22,5 kDa CBM28 module of the cellulase Cel5I of Clostridium cellulolyticum ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 23 _Citation.Journal_issue 2 _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 157 _Citation.Page_last 158 _Citation.Year 2002 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Amor Mosbah . . . 5263 1 2 Chantal Tardif . . . 5263 1 3 Olivier Bornet . . . 5263 1 4 Odile Valette . . . 5263 1 5 Bernard Henrissat . . . 5263 1 6 Herve Darbon . . . 5263 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_CBM28 _Assembly.Sf_category assembly _Assembly.Sf_framecode system_CBM28 _Assembly.Entry_ID 5263 _Assembly.ID 1 _Assembly.Name 'CBM28 of CelI' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'not present' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 5263 1 stop_ loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 CBM28 1 $CBM28 . . . native . . . . . 5263 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID CBM28 abbreviation 5263 1 'CBM28 of CelI' system 5263 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_CBM28 _Entity.Sf_category entity _Entity.Sf_framecode CBM28 _Entity.Entry_ID 5263 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'CBM28 of CelI' _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 ; MTTVEAPVEHAPIGKATLPS IFEDSTRQGWAWDAASGVQS ALTIKDANGSKAISWEVKYP EVKPVDGWASAPRIMLSNIN ATRGNNKYLAFDFYLKPTQA SKGSLSINLAFAPPTLGYWA QASVNFDIPLTKLSKMKKTK DGLYHFQVKYDLDKVNDGKV LAADTVLRDITIVVADGNSD FAGTMYVDNVRFENDSLEHH HHHH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 204 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 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 GB AAL79562 . "beta-1,4-glucanase [ [[Clostridium] cellulolyticum]" . . . . . 95.59 930 100.00 100.00 1.85e-130 . . . . 5263 1 2 no GB ACL74811 . "glycoside hydrolase family 5 [Clostridium cellulolyticum H10]" . . . . . 95.59 930 100.00 100.00 2.34e-130 . . . . 5263 1 3 no REF WP_012634873 . "endoglucanase [[Clostridium] cellulolyticum]" . . . . . 95.59 930 100.00 100.00 2.34e-130 . . . . 5263 1 4 no REF YP_002504791 . "glycoside hydrolase [Clostridium cellulolyticum H10]" . . . . . 95.59 930 100.00 100.00 2.34e-130 . . . . 5263 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID CBM28 abbreviation 5263 1 'CBM28 of CelI' common 5263 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 5263 1 2 . THR . 5263 1 3 . THR . 5263 1 4 . VAL . 5263 1 5 . GLU . 5263 1 6 . ALA . 5263 1 7 . PRO . 5263 1 8 . VAL . 5263 1 9 . GLU . 5263 1 10 . HIS . 5263 1 11 . ALA . 5263 1 12 . PRO . 5263 1 13 . ILE . 5263 1 14 . GLY . 5263 1 15 . LYS . 5263 1 16 . ALA . 5263 1 17 . THR . 5263 1 18 . LEU . 5263 1 19 . PRO . 5263 1 20 . SER . 5263 1 21 . ILE . 5263 1 22 . PHE . 5263 1 23 . GLU . 5263 1 24 . ASP . 5263 1 25 . SER . 5263 1 26 . THR . 5263 1 27 . ARG . 5263 1 28 . GLN . 5263 1 29 . GLY . 5263 1 30 . TRP . 5263 1 31 . ALA . 5263 1 32 . TRP . 5263 1 33 . ASP . 5263 1 34 . ALA . 5263 1 35 . ALA . 5263 1 36 . SER . 5263 1 37 . GLY . 5263 1 38 . VAL . 5263 1 39 . GLN . 5263 1 40 . SER . 5263 1 41 . ALA . 5263 1 42 . LEU . 5263 1 43 . THR . 5263 1 44 . ILE . 5263 1 45 . LYS . 5263 1 46 . ASP . 5263 1 47 . ALA . 5263 1 48 . ASN . 5263 1 49 . GLY . 5263 1 50 . SER . 5263 1 51 . LYS . 5263 1 52 . ALA . 5263 1 53 . ILE . 5263 1 54 . SER . 5263 1 55 . TRP . 5263 1 56 . GLU . 5263 1 57 . VAL . 5263 1 58 . LYS . 5263 1 59 . TYR . 5263 1 60 . PRO . 5263 1 61 . GLU . 5263 1 62 . VAL . 5263 1 63 . LYS . 5263 1 64 . PRO . 5263 1 65 . VAL . 5263 1 66 . ASP . 5263 1 67 . GLY . 5263 1 68 . TRP . 5263 1 69 . ALA . 5263 1 70 . SER . 5263 1 71 . ALA . 5263 1 72 . PRO . 5263 1 73 . ARG . 5263 1 74 . ILE . 5263 1 75 . MET . 5263 1 76 . LEU . 5263 1 77 . SER . 5263 1 78 . ASN . 5263 1 79 . ILE . 5263 1 80 . ASN . 5263 1 81 . ALA . 5263 1 82 . THR . 5263 1 83 . ARG . 5263 1 84 . GLY . 5263 1 85 . ASN . 5263 1 86 . ASN . 5263 1 87 . LYS . 5263 1 88 . TYR . 5263 1 89 . LEU . 5263 1 90 . ALA . 5263 1 91 . PHE . 5263 1 92 . ASP . 5263 1 93 . PHE . 5263 1 94 . TYR . 5263 1 95 . LEU . 5263 1 96 . LYS . 5263 1 97 . PRO . 5263 1 98 . THR . 5263 1 99 . GLN . 5263 1 100 . ALA . 5263 1 101 . SER . 5263 1 102 . LYS . 5263 1 103 . GLY . 5263 1 104 . SER . 5263 1 105 . LEU . 5263 1 106 . SER . 5263 1 107 . ILE . 5263 1 108 . ASN . 5263 1 109 . LEU . 5263 1 110 . ALA . 5263 1 111 . PHE . 5263 1 112 . ALA . 5263 1 113 . PRO . 5263 1 114 . PRO . 5263 1 115 . THR . 5263 1 116 . LEU . 5263 1 117 . GLY . 5263 1 118 . TYR . 5263 1 119 . TRP . 5263 1 120 . ALA . 5263 1 121 . GLN . 5263 1 122 . ALA . 5263 1 123 . SER . 5263 1 124 . VAL . 5263 1 125 . ASN . 5263 1 126 . PHE . 5263 1 127 . ASP . 5263 1 128 . ILE . 5263 1 129 . PRO . 5263 1 130 . LEU . 5263 1 131 . THR . 5263 1 132 . LYS . 5263 1 133 . LEU . 5263 1 134 . SER . 5263 1 135 . LYS . 5263 1 136 . MET . 5263 1 137 . LYS . 5263 1 138 . LYS . 5263 1 139 . THR . 5263 1 140 . LYS . 5263 1 141 . ASP . 5263 1 142 . GLY . 5263 1 143 . LEU . 5263 1 144 . TYR . 5263 1 145 . HIS . 5263 1 146 . PHE . 5263 1 147 . GLN . 5263 1 148 . VAL . 5263 1 149 . LYS . 5263 1 150 . TYR . 5263 1 151 . ASP . 5263 1 152 . LEU . 5263 1 153 . ASP . 5263 1 154 . LYS . 5263 1 155 . VAL . 5263 1 156 . ASN . 5263 1 157 . ASP . 5263 1 158 . GLY . 5263 1 159 . LYS . 5263 1 160 . VAL . 5263 1 161 . LEU . 5263 1 162 . ALA . 5263 1 163 . ALA . 5263 1 164 . ASP . 5263 1 165 . THR . 5263 1 166 . VAL . 5263 1 167 . LEU . 5263 1 168 . ARG . 5263 1 169 . ASP . 5263 1 170 . ILE . 5263 1 171 . THR . 5263 1 172 . ILE . 5263 1 173 . VAL . 5263 1 174 . VAL . 5263 1 175 . ALA . 5263 1 176 . ASP . 5263 1 177 . GLY . 5263 1 178 . ASN . 5263 1 179 . SER . 5263 1 180 . ASP . 5263 1 181 . PHE . 5263 1 182 . ALA . 5263 1 183 . GLY . 5263 1 184 . THR . 5263 1 185 . MET . 5263 1 186 . TYR . 5263 1 187 . VAL . 5263 1 188 . ASP . 5263 1 189 . ASN . 5263 1 190 . VAL . 5263 1 191 . ARG . 5263 1 192 . PHE . 5263 1 193 . GLU . 5263 1 194 . ASN . 5263 1 195 . ASP . 5263 1 196 . SER . 5263 1 197 . LEU . 5263 1 198 . GLU . 5263 1 199 . HIS . 5263 1 200 . HIS . 5263 1 201 . HIS . 5263 1 202 . HIS . 5263 1 203 . HIS . 5263 1 204 . HIS . 5263 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 5263 1 . THR 2 2 5263 1 . THR 3 3 5263 1 . VAL 4 4 5263 1 . GLU 5 5 5263 1 . ALA 6 6 5263 1 . PRO 7 7 5263 1 . VAL 8 8 5263 1 . GLU 9 9 5263 1 . HIS 10 10 5263 1 . ALA 11 11 5263 1 . PRO 12 12 5263 1 . ILE 13 13 5263 1 . GLY 14 14 5263 1 . LYS 15 15 5263 1 . ALA 16 16 5263 1 . THR 17 17 5263 1 . LEU 18 18 5263 1 . PRO 19 19 5263 1 . SER 20 20 5263 1 . ILE 21 21 5263 1 . PHE 22 22 5263 1 . GLU 23 23 5263 1 . ASP 24 24 5263 1 . SER 25 25 5263 1 . THR 26 26 5263 1 . ARG 27 27 5263 1 . GLN 28 28 5263 1 . GLY 29 29 5263 1 . TRP 30 30 5263 1 . ALA 31 31 5263 1 . TRP 32 32 5263 1 . ASP 33 33 5263 1 . ALA 34 34 5263 1 . ALA 35 35 5263 1 . SER 36 36 5263 1 . GLY 37 37 5263 1 . VAL 38 38 5263 1 . GLN 39 39 5263 1 . SER 40 40 5263 1 . ALA 41 41 5263 1 . LEU 42 42 5263 1 . THR 43 43 5263 1 . ILE 44 44 5263 1 . LYS 45 45 5263 1 . ASP 46 46 5263 1 . ALA 47 47 5263 1 . ASN 48 48 5263 1 . GLY 49 49 5263 1 . SER 50 50 5263 1 . LYS 51 51 5263 1 . ALA 52 52 5263 1 . ILE 53 53 5263 1 . SER 54 54 5263 1 . TRP 55 55 5263 1 . GLU 56 56 5263 1 . VAL 57 57 5263 1 . LYS 58 58 5263 1 . TYR 59 59 5263 1 . PRO 60 60 5263 1 . GLU 61 61 5263 1 . VAL 62 62 5263 1 . LYS 63 63 5263 1 . PRO 64 64 5263 1 . VAL 65 65 5263 1 . ASP 66 66 5263 1 . GLY 67 67 5263 1 . TRP 68 68 5263 1 . ALA 69 69 5263 1 . SER 70 70 5263 1 . ALA 71 71 5263 1 . PRO 72 72 5263 1 . ARG 73 73 5263 1 . ILE 74 74 5263 1 . MET 75 75 5263 1 . LEU 76 76 5263 1 . SER 77 77 5263 1 . ASN 78 78 5263 1 . ILE 79 79 5263 1 . ASN 80 80 5263 1 . ALA 81 81 5263 1 . THR 82 82 5263 1 . ARG 83 83 5263 1 . GLY 84 84 5263 1 . ASN 85 85 5263 1 . ASN 86 86 5263 1 . LYS 87 87 5263 1 . TYR 88 88 5263 1 . LEU 89 89 5263 1 . ALA 90 90 5263 1 . PHE 91 91 5263 1 . ASP 92 92 5263 1 . PHE 93 93 5263 1 . TYR 94 94 5263 1 . LEU 95 95 5263 1 . LYS 96 96 5263 1 . PRO 97 97 5263 1 . THR 98 98 5263 1 . GLN 99 99 5263 1 . ALA 100 100 5263 1 . SER 101 101 5263 1 . LYS 102 102 5263 1 . GLY 103 103 5263 1 . SER 104 104 5263 1 . LEU 105 105 5263 1 . SER 106 106 5263 1 . ILE 107 107 5263 1 . ASN 108 108 5263 1 . LEU 109 109 5263 1 . ALA 110 110 5263 1 . PHE 111 111 5263 1 . ALA 112 112 5263 1 . PRO 113 113 5263 1 . PRO 114 114 5263 1 . THR 115 115 5263 1 . LEU 116 116 5263 1 . GLY 117 117 5263 1 . TYR 118 118 5263 1 . TRP 119 119 5263 1 . ALA 120 120 5263 1 . GLN 121 121 5263 1 . ALA 122 122 5263 1 . SER 123 123 5263 1 . VAL 124 124 5263 1 . ASN 125 125 5263 1 . PHE 126 126 5263 1 . ASP 127 127 5263 1 . ILE 128 128 5263 1 . PRO 129 129 5263 1 . LEU 130 130 5263 1 . THR 131 131 5263 1 . LYS 132 132 5263 1 . LEU 133 133 5263 1 . SER 134 134 5263 1 . LYS 135 135 5263 1 . MET 136 136 5263 1 . LYS 137 137 5263 1 . LYS 138 138 5263 1 . THR 139 139 5263 1 . LYS 140 140 5263 1 . ASP 141 141 5263 1 . GLY 142 142 5263 1 . LEU 143 143 5263 1 . TYR 144 144 5263 1 . HIS 145 145 5263 1 . PHE 146 146 5263 1 . GLN 147 147 5263 1 . VAL 148 148 5263 1 . LYS 149 149 5263 1 . TYR 150 150 5263 1 . ASP 151 151 5263 1 . LEU 152 152 5263 1 . ASP 153 153 5263 1 . LYS 154 154 5263 1 . VAL 155 155 5263 1 . ASN 156 156 5263 1 . ASP 157 157 5263 1 . GLY 158 158 5263 1 . LYS 159 159 5263 1 . VAL 160 160 5263 1 . LEU 161 161 5263 1 . ALA 162 162 5263 1 . ALA 163 163 5263 1 . ASP 164 164 5263 1 . THR 165 165 5263 1 . VAL 166 166 5263 1 . LEU 167 167 5263 1 . ARG 168 168 5263 1 . ASP 169 169 5263 1 . ILE 170 170 5263 1 . THR 171 171 5263 1 . ILE 172 172 5263 1 . VAL 173 173 5263 1 . VAL 174 174 5263 1 . ALA 175 175 5263 1 . ASP 176 176 5263 1 . GLY 177 177 5263 1 . ASN 178 178 5263 1 . SER 179 179 5263 1 . ASP 180 180 5263 1 . PHE 181 181 5263 1 . ALA 182 182 5263 1 . GLY 183 183 5263 1 . THR 184 184 5263 1 . MET 185 185 5263 1 . TYR 186 186 5263 1 . VAL 187 187 5263 1 . ASP 188 188 5263 1 . ASN 189 189 5263 1 . VAL 190 190 5263 1 . ARG 191 191 5263 1 . PHE 192 192 5263 1 . GLU 193 193 5263 1 . ASN 194 194 5263 1 . ASP 195 195 5263 1 . SER 196 196 5263 1 . LEU 197 197 5263 1 . GLU 198 198 5263 1 . HIS 199 199 5263 1 . HIS 200 200 5263 1 . HIS 201 201 5263 1 . HIS 202 202 5263 1 . HIS 203 203 5263 1 . HIS 204 204 5263 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 5263 _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 $CBM28 . 1521 organism . 'Clostridium cellulolyticum' 'Clostridium cellulolyticum' . . Eubacteria . Clostridium cellulolyticum . . . . . . . . . . . . . . . . . . . . . 5263 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 5263 _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 $CBM28 . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5263 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 5263 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'CBM28 of CelI' . . . 1 $CBM28 . . . . . mM . . . . 5263 1 stop_ save_ ####################### # Sample conditions # ####################### save_condition_set_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode condition_set_1 _Sample_condition_list.Entry_ID 5263 _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 pD 5.0 0.1 n/a 5263 1 temperature 300 1 K 5263 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 5263 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'spectrometer information not available' _NMR_spectrometer.Manufacturer unknown _NMR_spectrometer.Model unknown _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 0 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 5263 _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 unknown unknown . 0 'spectrometer information not available' . . 5263 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 5263 _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 . . . . . . . . . . . . 1 $sample_1 . . . 1 $condition_set_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 5263 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 5263 _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 0.0 . indirect 0.251449530 . . . 1 $entry_citation . . 1 $entry_citation 5263 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . 1 $entry_citation . . 1 $entry_citation 5263 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 5263 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_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_set_1 _Assigned_chem_shift_list.Entry_ID 5263 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $condition_set_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_1 . 5263 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 2 2 THR N N 15 125.446 0.000 . . . . . . . . . . 5263 1 2 . 1 1 2 2 THR H H 1 5.426 0.003 . . . . . . . . . . 5263 1 3 . 1 1 2 2 THR HA H 1 3.977 0.028 . . . . . . . . . . 5263 1 4 . 1 1 2 2 THR HB H 1 4.280 0.000 . . . . . . . . . . 5263 1 5 . 1 1 2 2 THR CA C 13 63.864 0.036 . . . . . . . . . . 5263 1 6 . 1 1 2 2 THR CB C 13 70.454 0.283 . . . . . . . . . . 5263 1 7 . 1 1 3 3 THR N N 15 116.914 0.000 . . . . . . . . . . 5263 1 8 . 1 1 3 3 THR H H 1 8.089 0.001 . . . . . . . . . . 5263 1 9 . 1 1 3 3 THR HA H 1 4.390 0.044 . . . . . . . . . . 5263 1 10 . 1 1 3 3 THR HB H 1 4.126 0.003 . . . . . . . . . . 5263 1 11 . 1 1 3 3 THR CA C 13 61.590 0.053 . . . . . . . . . . 5263 1 12 . 1 1 3 3 THR CB C 13 69.786 0.049 . . . . . . . . . . 5263 1 13 . 1 1 4 4 VAL N N 15 121.508 0.000 . . . . . . . . . . 5263 1 14 . 1 1 4 4 VAL H H 1 7.846 0.005 . . . . . . . . . . 5263 1 15 . 1 1 4 4 VAL HA H 1 2.684 0.000 . . . . . . . . . . 5263 1 16 . 1 1 4 4 VAL CA C 13 63.255 0.000 . . . . . . . . . . 5263 1 17 . 1 1 4 4 VAL CB C 13 34.167 0.000 . . . . . . . . . . 5263 1 18 . 1 1 9 9 GLU N N 15 121.508 0.000 . . . . . . . . . . 5263 1 19 . 1 1 9 9 GLU H H 1 7.808 0.030 . . . . . . . . . . 5263 1 20 . 1 1 9 9 GLU HA H 1 3.974 0.000 . . . . . . . . . . 5263 1 21 . 1 1 9 9 GLU CB C 13 34.202 0.000 . . . . . . . . . . 5263 1 22 . 1 1 10 10 HIS N N 15 127.087 0.000 . . . . . . . . . . 5263 1 23 . 1 1 10 10 HIS H H 1 9.162 0.000 . . . . . . . . . . 5263 1 24 . 1 1 10 10 HIS HA H 1 4.511 0.298 . . . . . . . . . . 5263 1 25 . 1 1 11 11 ALA N N 15 128.006 0.081 . . . . . . . . . . 5263 1 26 . 1 1 11 11 ALA H H 1 8.165 0.000 . . . . . . . . . . 5263 1 27 . 1 1 11 11 ALA HA H 1 4.329 0.000 . . . . . . . . . . 5263 1 28 . 1 1 11 11 ALA HB1 H 1 1.314 0.000 . 1 . . . . . . . . 5263 1 29 . 1 1 11 11 ALA HB2 H 1 1.314 0.000 . 1 . . . . . . . . 5263 1 30 . 1 1 11 11 ALA HB3 H 1 1.314 0.000 . 1 . . . . . . . . 5263 1 31 . 1 1 12 12 PRO HA H 1 4.863 0.000 . . . . . . . . . . 5263 1 32 . 1 1 12 12 PRO CA C 13 63.448 0.000 . . . . . . . . . . 5263 1 33 . 1 1 12 12 PRO CB C 13 32.009 0.000 . . . . . . . . . . 5263 1 34 . 1 1 13 13 ILE N N 15 123.608 0.123 . . . . . . . . . . 5263 1 35 . 1 1 13 13 ILE H H 1 8.638 0.000 . . . . . . . . . . 5263 1 36 . 1 1 13 13 ILE HA H 1 4.080 0.005 . . . . . . . . . . 5263 1 37 . 1 1 13 13 ILE HB H 1 1.169 0.006 . . . . . . . . . . 5263 1 38 . 1 1 13 13 ILE CA C 13 62.589 0.101 . . . . . . . . . . 5263 1 39 . 1 1 13 13 ILE CB C 13 39.041 0.000 . . . . . . . . . . 5263 1 40 . 1 1 14 14 GLY N N 15 108.054 0.000 . . . . . . . . . . 5263 1 41 . 1 1 14 14 GLY H H 1 8.284 0.000 . . . . . . . . . . 5263 1 42 . 1 1 14 14 GLY HA2 H 1 3.958 0.198 . . . . . . . . . . 5263 1 43 . 1 1 14 14 GLY HA3 H 1 3.673 0.000 . . . . . . . . . . 5263 1 44 . 1 1 14 14 GLY CA C 13 45.227 0.000 . . . . . . . . . . 5263 1 45 . 1 1 15 15 LYS N N 15 121.977 0.162 . . . . . . . . . . 5263 1 46 . 1 1 15 15 LYS H H 1 8.543 0.001 . . . . . . . . . . 5263 1 47 . 1 1 15 15 LYS HA H 1 4.405 0.000 . . . . . . . . . . 5263 1 48 . 1 1 15 15 LYS CA C 13 54.401 0.000 . . . . . . . . . . 5263 1 49 . 1 1 15 15 LYS CB C 13 35.018 0.000 . . . . . . . . . . 5263 1 50 . 1 1 16 16 ALA N N 15 127.743 0.000 . . . . . . . . . . 5263 1 51 . 1 1 16 16 ALA H H 1 8.652 0.000 . . . . . . . . . . 5263 1 52 . 1 1 16 16 ALA HA H 1 4.329 0.000 . . . . . . . . . . 5263 1 53 . 1 1 16 16 ALA HB1 H 1 1.158 0.005 . 1 . . . . . . . . 5263 1 54 . 1 1 16 16 ALA HB2 H 1 1.158 0.005 . 1 . . . . . . . . 5263 1 55 . 1 1 16 16 ALA HB3 H 1 1.158 0.005 . 1 . . . . . . . . 5263 1 56 . 1 1 16 16 ALA CA C 13 53.034 0.032 . . . . . . . . . . 5263 1 57 . 1 1 16 16 ALA CB C 13 17.275 0.000 . . . . . . . . . . 5263 1 58 . 1 1 17 17 THR N N 15 121.180 0.000 . . . . . . . . . . 5263 1 59 . 1 1 17 17 THR H H 1 7.241 0.001 . . . . . . . . . . 5263 1 60 . 1 1 17 17 THR HA H 1 4.350 0.000 . . . . . . . . . . 5263 1 61 . 1 1 17 17 THR HB H 1 3.751 0.004 . . . . . . . . . . 5263 1 62 . 1 1 17 17 THR CA C 13 62.085 0.035 . . . . . . . . . . 5263 1 63 . 1 1 17 17 THR CB C 13 73.028 0.000 . . . . . . . . . . 5263 1 64 . 1 1 18 18 LEU N N 15 127.087 0.000 . . . . . . . . . . 5263 1 65 . 1 1 18 18 LEU H H 1 8.489 0.031 . . . . . . . . . . 5263 1 66 . 1 1 18 18 LEU HA H 1 4.655 0.000 . . . . . . . . . . 5263 1 67 . 1 1 18 18 LEU CA C 13 52.303 0.000 . . . . . . . . . . 5263 1 68 . 1 1 18 18 LEU CB C 13 45.878 0.000 . . . . . . . . . . 5263 1 69 . 1 1 19 19 PRO HA H 1 3.070 0.000 . . . . . . . . . . 5263 1 70 . 1 1 27 27 ARG CA C 13 56.981 0.000 . . . . . . . . . . 5263 1 71 . 1 1 27 27 ARG CB C 13 30.676 0.000 . . . . . . . . . . 5263 1 72 . 1 1 28 28 GLN N N 15 116.914 1.608 . . . . . . . . . . 5263 1 73 . 1 1 28 28 GLN H H 1 8.554 0.151 . . . . . . . . . . 5263 1 74 . 1 1 28 28 GLN HA H 1 3.783 0.004 . . . . . . . . . . 5263 1 75 . 1 1 28 28 GLN NE2 N 15 112.647 0.000 . . . . . . . . . . 5263 1 76 . 1 1 28 28 GLN HE21 H 1 7.144 0.000 . . . . . . . . . . 5263 1 77 . 1 1 28 28 GLN HE22 H 1 6.739 0.000 . . . . . . . . . . 5263 1 78 . 1 1 28 28 GLN CA C 13 58.316 0.000 . . . . . . . . . . 5263 1 79 . 1 1 28 28 GLN CB C 13 27.590 0.011 . . . . . . . . . . 5263 1 80 . 1 1 29 29 GLY N N 15 97.579 0.147 . . . . . . . . . . 5263 1 81 . 1 1 29 29 GLY H H 1 8.726 0.001 . . . . . . . . . . 5263 1 82 . 1 1 29 29 GLY HA2 H 1 3.831 0.006 . . . . . . . . . . 5263 1 83 . 1 1 29 29 GLY HA3 H 1 3.128 0.008 . . . . . . . . . . 5263 1 84 . 1 1 29 29 GLY CA C 13 44.574 0.000 . . . . . . . . . . 5263 1 85 . 1 1 30 30 TRP N N 15 121.129 3.633 . . . . . . . . . . 5263 1 86 . 1 1 30 30 TRP H H 1 8.134 0.956 . . . . . . . . . . 5263 1 87 . 1 1 30 30 TRP HA H 1 4.566 0.006 . . . . . . . . . . 5263 1 88 . 1 1 30 30 TRP NE1 N 15 130.369 0.000 . . . . . . . . . . 5263 1 89 . 1 1 30 30 TRP HE3 H 1 7.081 0.143 . . . . . . . . . . 5263 1 90 . 1 1 30 30 TRP HE1 H 1 11.025 0.001 . . . . . . . . . . 5263 1 91 . 1 1 30 30 TRP HZ2 H 1 7.757 0.000 . . . . . . . . . . 5263 1 92 . 1 1 30 30 TRP HH2 H 1 8.065 0.001 . . . . . . . . . . 5263 1 93 . 1 1 30 30 TRP CA C 13 58.507 0.000 . . . . . . . . . . 5263 1 94 . 1 1 30 30 TRP CB C 13 29.351 0.000 . . . . . . . . . . 5263 1 95 . 1 1 31 31 ALA N N 15 123.067 1.639 . . . . . . . . . . 5263 1 96 . 1 1 31 31 ALA H H 1 8.797 0.000 . . . . . . . . . . 5263 1 97 . 1 1 31 31 ALA HA H 1 3.945 0.003 . . . . . . . . . . 5263 1 98 . 1 1 31 31 ALA HB1 H 1 1.288 0.003 . 1 . . . . . . . . 5263 1 99 . 1 1 31 31 ALA HB2 H 1 1.288 0.003 . 1 . . . . . . . . 5263 1 100 . 1 1 31 31 ALA HB3 H 1 1.288 0.003 . 1 . . . . . . . . 5263 1 101 . 1 1 31 31 ALA CA C 13 50.310 0.000 . . . . . . . . . . 5263 1 102 . 1 1 31 31 ALA CB C 13 23.299 0.130 . . . . . . . . . . 5263 1 103 . 1 1 32 32 TRP N N 15 119.539 0.000 . . . . . . . . . . 5263 1 104 . 1 1 32 32 TRP H H 1 8.012 0.000 . . . . . . . . . . 5263 1 105 . 1 1 32 32 TRP CA C 13 56.721 0.020 . . . . . . . . . . 5263 1 106 . 1 1 32 32 TRP CB C 13 30.307 0.067 . . . . . . . . . . 5263 1 107 . 1 1 32 32 TRP HA H 1 5.228 0.003 . . . . . . . . . . 5263 1 108 . 1 1 32 32 TRP HB2 H 1 3.396 0.005 . . . . . . . . . . 5263 1 109 . 1 1 32 32 TRP HB3 H 1 2.972 0.000 . . . . . . . . . . 5263 1 110 . 1 1 33 33 ASP N N 15 124.133 0.000 . . . . . . . . . . 5263 1 111 . 1 1 33 33 ASP H H 1 8.772 0.219 . . . . . . . . . . 5263 1 112 . 1 1 33 33 ASP HA H 1 4.601 0.000 . . . . . . . . . . 5263 1 113 . 1 1 33 33 ASP HB2 H 1 2.545 0.003 . . . . . . . . . . 5263 1 114 . 1 1 33 33 ASP HB3 H 1 2.290 0.106 . . . . . . . . . . 5263 1 115 . 1 1 33 33 ASP CA C 13 54.762 0.076 . . . . . . . . . . 5263 1 116 . 1 1 33 33 ASP CB C 13 45.324 0.012 . . . . . . . . . . 5263 1 117 . 1 1 34 34 ALA N N 15 131.517 0.082 . . . . . . . . . . 5263 1 118 . 1 1 34 34 ALA H H 1 8.866 0.000 . . . . . . . . . . 5263 1 119 . 1 1 34 34 ALA HA H 1 4.152 0.000 . . . . . . . . . . 5263 1 120 . 1 1 34 34 ALA HB1 H 1 1.428 0.004 . 1 . . . . . . . . 5263 1 121 . 1 1 34 34 ALA HB2 H 1 1.428 0.004 . 1 . . . . . . . . 5263 1 122 . 1 1 34 34 ALA HB3 H 1 1.428 0.004 . 1 . . . . . . . . 5263 1 123 . 1 1 34 34 ALA CA C 13 42.817 17.486 . . . . . . . . . . 5263 1 124 . 1 1 34 34 ALA CB C 13 18.491 0.000 . . . . . . . . . . 5263 1 125 . 1 1 35 35 ALA N N 15 118.227 0.000 . . . . . . . . . . 5263 1 126 . 1 1 35 35 ALA H H 1 9.263 0.000 . . . . . . . . . . 5263 1 127 . 1 1 35 35 ALA CA C 13 51.238 0.017 . . . . . . . . . . 5263 1 128 . 1 1 35 35 ALA CB C 13 18.657 0.000 . . . . . . . . . . 5263 1 129 . 1 1 35 35 ALA HA H 1 4.403 0.000 . . . . . . . . . . 5263 1 130 . 1 1 35 35 ALA HB1 H 1 1.384 0.000 . 1 . . . . . . . . 5263 1 131 . 1 1 35 35 ALA HB2 H 1 1.384 0.000 . 1 . . . . . . . . 5263 1 132 . 1 1 35 35 ALA HB3 H 1 1.384 0.000 . 1 . . . . . . . . 5263 1 133 . 1 1 36 36 SER N N 15 112.648 0.000 . . . . . . . . . . 5263 1 134 . 1 1 36 36 SER H H 1 7.784 0.002 . . . . . . . . . . 5263 1 135 . 1 1 36 36 SER HA H 1 4.207 0.000 . . . . . . . . . . 5263 1 136 . 1 1 36 36 SER HB2 H 1 4.689 0.000 . . . . . . . . . . 5263 1 137 . 1 1 36 36 SER HB3 H 1 3.944 0.000 . . . . . . . . . . 5263 1 138 . 1 1 36 36 SER CA C 13 58.862 0.000 . . . . . . . . . . 5263 1 139 . 1 1 36 36 SER CB C 13 62.715 0.075 . . . . . . . . . . 5263 1 140 . 1 1 37 37 GLY N N 15 117.899 0.000 . . . . . . . . . . 5263 1 141 . 1 1 37 37 GLY H H 1 8.860 0.000 . . . . . . . . . . 5263 1 142 . 1 1 37 37 GLY CA C 13 46.184 0.003 . . . . . . . . . . 5263 1 143 . 1 1 37 37 GLY HA2 H 1 4.011 0.004 . . . . . . . . . . 5263 1 144 . 1 1 37 37 GLY HA3 H 1 3.580 0.000 . . . . . . . . . . 5263 1 145 . 1 1 38 38 VAL N N 15 119.211 0.000 . . . . . . . . . . 5263 1 146 . 1 1 38 38 VAL H H 1 6.967 0.000 . . . . . . . . . . 5263 1 147 . 1 1 38 38 VAL HA H 1 3.743 0.000 . . . . . . . . . . 5263 1 148 . 1 1 38 38 VAL HB H 1 0.628 0.002 . . . . . . . . . . 5263 1 149 . 1 1 38 38 VAL CA C 13 56.973 0.005 . . . . . . . . . . 5263 1 150 . 1 1 38 38 VAL CB C 13 33.810 0.060 . . . . . . . . . . 5263 1 151 . 1 1 39 39 GLN N N 15 126.759 0.000 . . . . . . . . . . 5263 1 152 . 1 1 39 39 GLN H H 1 7.886 0.002 . . . . . . . . . . 5263 1 153 . 1 1 39 39 GLN HA H 1 3.432 0.004 . . . . . . . . . . 5263 1 154 . 1 1 39 39 GLN CA C 13 53.345 0.000 . . . . . . . . . . 5263 1 155 . 1 1 39 39 GLN CB C 13 28.544 0.026 . . . . . . . . . . 5263 1 156 . 1 1 39 39 GLN CG C 13 32.041 0.042 . . . . . . . . . . 5263 1 157 . 1 1 39 39 GLN NE2 N 15 110.351 0.000 . . . . . . . . . . 5263 1 158 . 1 1 39 39 GLN HE21 H 1 7.217 0.000 . . . . . . . . . . 5263 1 159 . 1 1 39 39 GLN HE22 H 1 6.609 0.437 . . . . . . . . . . 5263 1 160 . 1 1 40 40 SER N N 15 114.236 0.153 . . . . . . . . . . 5263 1 161 . 1 1 40 40 SER H H 1 6.988 0.075 . . . . . . . . . . 5263 1 162 . 1 1 40 40 SER HA H 1 4.430 0.004 . . . . . . . . . . 5263 1 163 . 1 1 40 40 SER CA C 13 57.448 0.000 . . . . . . . . . . 5263 1 164 . 1 1 40 40 SER CB C 13 63.618 0.000 . . . . . . . . . . 5263 1 165 . 1 1 41 41 ALA N N 15 120.196 0.000 . . . . . . . . . . 5263 1 166 . 1 1 41 41 ALA H H 1 8.338 0.001 . . . . . . . . . . 5263 1 167 . 1 1 41 41 ALA HA H 1 4.292 0.003 . . . . . . . . . . 5263 1 168 . 1 1 41 41 ALA HB1 H 1 1.281 0.005 . 1 . . . . . . . . 5263 1 169 . 1 1 41 41 ALA HB2 H 1 1.281 0.005 . 1 . . . . . . . . 5263 1 170 . 1 1 41 41 ALA HB3 H 1 1.281 0.005 . 1 . . . . . . . . 5263 1 171 . 1 1 41 41 ALA CA C 13 53.883 0.051 . . . . . . . . . . 5263 1 172 . 1 1 41 41 ALA CB C 13 19.170 0.090 . . . . . . . . . . 5263 1 173 . 1 1 42 42 LEU N N 15 132.994 0.000 . . . . . . . . . . 5263 1 174 . 1 1 42 42 LEU H H 1 11.570 0.001 . . . . . . . . . . 5263 1 175 . 1 1 42 42 LEU CA C 13 54.021 0.014 . . . . . . . . . . 5263 1 176 . 1 1 42 42 LEU CB C 13 43.674 0.052 . . . . . . . . . . 5263 1 177 . 1 1 42 42 LEU HA H 1 5.304 0.002 . . . . . . . . . . 5263 1 178 . 1 1 42 42 LEU HB2 H 1 1.655 0.005 . . . . . . . . . . 5263 1 179 . 1 1 42 42 LEU HB3 H 1 0.959 0.005 . . . . . . . . . . 5263 1 180 . 1 1 42 42 LEU HG H 1 1.182 0.004 . . . . . . . . . . 5263 1 181 . 1 1 42 42 LEU HD11 H 1 -0.006 0.003 . 1 . . . . . . . . 5263 1 182 . 1 1 42 42 LEU HD12 H 1 -0.006 0.003 . 1 . . . . . . . . 5263 1 183 . 1 1 42 42 LEU HD13 H 1 -0.006 0.003 . 1 . . . . . . . . 5263 1 184 . 1 1 42 42 LEU HD21 H 1 -0.230 0.096 . 1 . . . . . . . . 5263 1 185 . 1 1 42 42 LEU HD22 H 1 -0.230 0.096 . 1 . . . . . . . . 5263 1 186 . 1 1 42 42 LEU HD23 H 1 -0.230 0.096 . 1 . . . . . . . . 5263 1 187 . 1 1 43 43 THR N N 15 113.961 0.000 . . . . . . . . . . 5263 1 188 . 1 1 43 43 THR H H 1 8.663 0.000 . . . . . . . . . . 5263 1 189 . 1 1 43 43 THR CA C 13 59.347 0.009 . . . . . . . . . . 5263 1 190 . 1 1 43 43 THR CB C 13 71.943 0.197 . . . . . . . . . . 5263 1 191 . 1 1 43 43 THR HA H 1 4.706 0.000 . . . . . . . . . . 5263 1 192 . 1 1 43 43 THR HB H 1 4.072 0.000 . . . . . . . . . . 5263 1 193 . 1 1 44 44 ILE N N 15 120.196 0.000 . . . . . . . . . . 5263 1 194 . 1 1 44 44 ILE H H 1 8.458 0.000 . . . . . . . . . . 5263 1 195 . 1 1 44 44 ILE CA C 13 57.475 0.129 . . . . . . . . . . 5263 1 196 . 1 1 44 44 ILE CB C 13 34.732 0.000 . . . . . . . . . . 5263 1 197 . 1 1 44 44 ILE HA H 1 4.682 0.283 . . . . . . . . . . 5263 1 198 . 1 1 44 44 ILE HB H 1 1.969 0.001 . . . . . . . . . . 5263 1 199 . 1 1 45 45 LYS N N 15 128.400 0.000 . . . . . . . . . . 5263 1 200 . 1 1 45 45 LYS H H 1 9.027 0.000 . . . . . . . . . . 5263 1 201 . 1 1 45 45 LYS CA C 13 48.727 7.222 . . . . . . . . . . 5263 1 202 . 1 1 45 45 LYS CB C 13 38.713 0.000 . . . . . . . . . . 5263 1 203 . 1 1 45 45 LYS HA H 1 4.964 0.000 . . . . . . . . . . 5263 1 204 . 1 1 46 46 ASP N N 15 120.196 0.000 . . . . . . . . . . 5263 1 205 . 1 1 46 46 ASP H H 1 8.179 0.006 . . . . . . . . . . 5263 1 206 . 1 1 46 46 ASP CA C 13 54.619 0.183 . . . . . . . . . . 5263 1 207 . 1 1 46 46 ASP CB C 13 41.094 0.000 . . . . . . . . . . 5263 1 208 . 1 1 46 46 ASP HA H 1 4.599 0.001 . . . . . . . . . . 5263 1 209 . 1 1 47 47 ALA N N 15 125.444 0.026 . . . . . . . . . . 5263 1 210 . 1 1 47 47 ALA H H 1 9.031 0.000 . . . . . . . . . . 5263 1 211 . 1 1 47 47 ALA CA C 13 50.632 0.035 . . . . . . . . . . 5263 1 212 . 1 1 47 47 ALA CB C 13 19.486 0.000 . . . . . . . . . . 5263 1 213 . 1 1 47 47 ALA HA H 1 3.609 0.000 . . . . . . . . . . 5263 1 214 . 1 1 47 47 ALA HB1 H 1 -0.270 0.002 . 1 . . . . . . . . 5263 1 215 . 1 1 47 47 ALA HB2 H 1 -0.270 0.002 . 1 . . . . . . . . 5263 1 216 . 1 1 47 47 ALA HB3 H 1 -0.270 0.002 . 1 . . . . . . . . 5263 1 217 . 1 1 48 48 ASN N N 15 127.087 0.000 . . . . . . . . . . 5263 1 218 . 1 1 48 48 ASN H H 1 10.433 0.002 . . . . . . . . . . 5263 1 219 . 1 1 48 48 ASN CA C 13 51.852 0.141 . . . . . . . . . . 5263 1 220 . 1 1 48 48 ASN CB C 13 37.822 0.090 . . . . . . . . . . 5263 1 221 . 1 1 48 48 ASN HA H 1 4.117 0.000 . . . . . . . . . . 5263 1 222 . 1 1 49 49 GLY N N 15 103.460 0.000 . . . . . . . . . . 5263 1 223 . 1 1 49 49 GLY H H 1 8.480 0.000 . . . . . . . . . . 5263 1 224 . 1 1 49 49 GLY CA C 13 45.207 0.000 . . . . . . . . . . 5263 1 225 . 1 1 49 49 GLY HA2 H 1 3.926 0.000 . . . . . . . . . . 5263 1 226 . 1 1 49 49 GLY HA3 H 1 3.628 0.000 . . . . . . . . . . 5263 1 227 . 1 1 50 50 SER N N 15 114.617 0.000 . . . . . . . . . . 5263 1 228 . 1 1 50 50 SER H H 1 7.328 0.000 . . . . . . . . . . 5263 1 229 . 1 1 50 50 SER CA C 13 55.543 0.120 . . . . . . . . . . 5263 1 230 . 1 1 50 50 SER CB C 13 64.676 0.000 . . . . . . . . . . 5263 1 231 . 1 1 50 50 SER HA H 1 4.916 0.000 . . . . . . . . . . 5263 1 232 . 1 1 51 51 LYS N N 15 124.462 0.000 . . . . . . . . . . 5263 1 233 . 1 1 51 51 LYS H H 1 8.688 0.000 . . . . . . . . . . 5263 1 234 . 1 1 51 51 LYS CA C 13 56.916 0.004 . . . . . . . . . . 5263 1 235 . 1 1 51 51 LYS CB C 13 32.913 0.135 . . . . . . . . . . 5263 1 236 . 1 1 51 51 LYS HA H 1 4.330 0.002 . . . . . . . . . . 5263 1 237 . 1 1 51 51 LYS HB2 H 1 1.727 0.002 . . . . . . . . . . 5263 1 238 . 1 1 51 51 LYS HB3 H 1 1.433 0.007 . . . . . . . . . . 5263 1 239 . 1 1 52 52 ALA N N 15 128.072 0.000 . . . . . . . . . . 5263 1 240 . 1 1 52 52 ALA H H 1 9.307 0.000 . . . . . . . . . . 5263 1 241 . 1 1 52 52 ALA CA C 13 51.052 0.065 . . . . . . . . . . 5263 1 242 . 1 1 52 52 ALA CB C 13 23.386 0.027 . . . . . . . . . . 5263 1 243 . 1 1 52 52 ALA HA H 1 4.610 0.000 . . . . . . . . . . 5263 1 244 . 1 1 52 52 ALA HB1 H 1 1.217 0.002 . 1 . . . . . . . . 5263 1 245 . 1 1 52 52 ALA HB2 H 1 1.217 0.002 . 1 . . . . . . . . 5263 1 246 . 1 1 52 52 ALA HB3 H 1 1.217 0.002 . 1 . . . . . . . . 5263 1 247 . 1 1 53 53 ILE N N 15 122.165 0.000 . . . . . . . . . . 5263 1 248 . 1 1 53 53 ILE H H 1 7.053 0.000 . . . . . . . . . . 5263 1 249 . 1 1 53 53 ILE CA C 13 60.402 0.084 . . . . . . . . . . 5263 1 250 . 1 1 53 53 ILE CB C 13 37.383 0.039 . . . . . . . . . . 5263 1 251 . 1 1 53 53 ILE HA H 1 4.404 0.002 . . . . . . . . . . 5263 1 252 . 1 1 53 53 ILE HB H 1 0.219 0.000 . . . . . . . . . . 5263 1 253 . 1 1 54 54 SER N N 15 119.211 0.000 . . . . . . . . . . 5263 1 254 . 1 1 54 54 SER H H 1 8.629 0.001 . . . . . . . . . . 5263 1 255 . 1 1 54 54 SER CA C 13 56.059 0.000 . . . . . . . . . . 5263 1 256 . 1 1 54 54 SER CB C 13 66.045 0.086 . . . . . . . . . . 5263 1 257 . 1 1 54 54 SER HA H 1 5.093 0.006 . . . . . . . . . . 5263 1 258 . 1 1 55 55 TRP N N 15 120.852 0.000 . . . . . . . . . . 5263 1 259 . 1 1 55 55 TRP H H 1 7.627 0.000 . . . . . . . . . . 5263 1 260 . 1 1 55 55 TRP CA C 13 57.181 0.015 . . . . . . . . . . 5263 1 261 . 1 1 55 55 TRP CB C 13 32.184 0.012 . . . . . . . . . . 5263 1 262 . 1 1 55 55 TRP HA H 1 5.077 0.000 . . . . . . . . . . 5263 1 263 . 1 1 55 55 TRP NE1 N 15 126.071 5.400 . . . . . . . . . . 5263 1 264 . 1 1 55 55 TRP HE3 H 1 6.846 0.004 . . . . . . . . . . 5263 1 265 . 1 1 55 55 TRP HE1 H 1 11.271 0.001 . . . . . . . . . . 5263 1 266 . 1 1 55 55 TRP HZ2 H 1 7.098 0.004 . . . . . . . . . . 5263 1 267 . 1 1 55 55 TRP HH2 H 1 7.935 0.003 . . . . . . . . . . 5263 1 268 . 1 1 56 56 GLU N N 15 118.555 0.000 . . . . . . . . . . 5263 1 269 . 1 1 56 56 GLU H H 1 8.953 0.003 . . . . . . . . . . 5263 1 270 . 1 1 56 56 GLU CA C 13 58.403 2.447 . . . . . . . . . . 5263 1 271 . 1 1 56 56 GLU CB C 13 33.409 2.161 . . . . . . . . . . 5263 1 272 . 1 1 56 56 GLU HA H 1 4.565 0.003 . . . . . . . . . . 5263 1 273 . 1 1 56 56 GLU HB2 H 1 2.239 0.003 . . . . . . . . . . 5263 1 274 . 1 1 56 56 GLU HB3 H 1 1.906 0.105 . . . . . . . . . . 5263 1 275 . 1 1 57 57 VAL N N 15 125.483 3.261 . . . . . . . . . . 5263 1 276 . 1 1 57 57 VAL H H 1 8.427 0.000 . . . . . . . . . . 5263 1 277 . 1 1 57 57 VAL HA H 1 4.716 0.000 . . . . . . . . . . 5263 1 278 . 1 1 57 57 VAL HB H 1 1.717 0.002 . . . . . . . . . . 5263 1 279 . 1 1 57 57 VAL CA C 13 50.125 9.291 . . . . . . . . . . 5263 1 280 . 1 1 57 57 VAL CB C 13 34.097 0.403 . . . . . . . . . . 5263 1 281 . 1 1 58 58 LYS N N 15 123.149 0.000 . . . . . . . . . . 5263 1 282 . 1 1 58 58 LYS H H 1 8.517 0.000 . . . . . . . . . . 5263 1 283 . 1 1 58 58 LYS HA H 1 4.270 0.000 . . . . . . . . . . 5263 1 284 . 1 1 58 58 LYS CA C 13 53.385 0.000 . . . . . . . . . . 5263 1 285 . 1 1 58 58 LYS CB C 13 33.037 0.000 . . . . . . . . . . 5263 1 286 . 1 1 59 59 TYR N N 15 126.431 0.000 . . . . . . . . . . 5263 1 287 . 1 1 59 59 TYR H H 1 7.906 0.000 . . . . . . . . . . 5263 1 288 . 1 1 59 59 TYR HA H 1 3.918 0.000 . . . . . . . . . . 5263 1 289 . 1 1 60 60 PRO CA C 13 60.781 0.000 . . . . . . . . . . 5263 1 290 . 1 1 60 60 PRO CB C 13 32.844 0.000 . . . . . . . . . . 5263 1 291 . 1 1 61 61 GLU N N 15 125.774 0.000 . . . . . . . . . . 5263 1 292 . 1 1 61 61 GLU H H 1 7.906 0.000 . . . . . . . . . . 5263 1 293 . 1 1 61 61 GLU CA C 13 55.603 0.200 . . . . . . . . . . 5263 1 294 . 1 1 61 61 GLU CB C 13 27.577 0.000 . . . . . . . . . . 5263 1 295 . 1 1 62 62 VAL N N 15 126.431 0.000 . . . . . . . . . . 5263 1 296 . 1 1 62 62 VAL H H 1 7.732 0.048 . . . . . . . . . . 5263 1 297 . 1 1 62 62 VAL CA C 13 62.329 0.143 . . . . . . . . . . 5263 1 298 . 1 1 62 62 VAL CB C 13 30.878 0.000 . . . . . . . . . . 5263 1 299 . 1 1 63 63 LYS N N 15 123.149 0.000 . . . . . . . . . . 5263 1 300 . 1 1 63 63 LYS H H 1 6.646 0.009 . . . . . . . . . . 5263 1 301 . 1 1 63 63 LYS CA C 13 55.398 0.000 . . . . . . . . . . 5263 1 302 . 1 1 63 63 LYS CB C 13 36.393 0.000 . . . . . . . . . . 5263 1 303 . 1 1 64 64 PRO HA H 1 4.524 0.000 . . . . . . . . . . 5263 1 304 . 1 1 64 64 PRO CA C 13 62.038 0.000 . . . . . . . . . . 5263 1 305 . 1 1 64 64 PRO CB C 13 32.241 0.000 . . . . . . . . . . 5263 1 306 . 1 1 65 65 VAL N N 15 120.852 0.000 . . . . . . . . . . 5263 1 307 . 1 1 65 65 VAL H H 1 8.286 0.001 . . . . . . . . . . 5263 1 308 . 1 1 65 65 VAL CA C 13 65.132 0.004 . . . . . . . . . . 5263 1 309 . 1 1 65 65 VAL CB C 13 31.450 0.010 . . . . . . . . . . 5263 1 310 . 1 1 65 65 VAL HA H 1 3.743 0.000 . . . . . . . . . . 5263 1 311 . 1 1 65 65 VAL HB H 1 1.997 0.000 . . . . . . . . . . 5263 1 312 . 1 1 65 65 VAL HG11 H 1 1.016 0.001 . 1 . . . . . . . . 5263 1 313 . 1 1 65 65 VAL HG12 H 1 1.016 0.001 . 1 . . . . . . . . 5263 1 314 . 1 1 65 65 VAL HG13 H 1 1.016 0.001 . 1 . . . . . . . . 5263 1 315 . 1 1 65 65 VAL HG21 H 1 0.938 0.003 . 1 . . . . . . . . 5263 1 316 . 1 1 65 65 VAL HG22 H 1 0.938 0.003 . 1 . . . . . . . . 5263 1 317 . 1 1 65 65 VAL HG23 H 1 0.938 0.003 . 1 . . . . . . . . 5263 1 318 . 1 1 66 66 ASP N N 15 120.196 0.000 . . . . . . . . . . 5263 1 319 . 1 1 66 66 ASP H H 1 7.761 0.000 . . . . . . . . . . 5263 1 320 . 1 1 66 66 ASP CA C 13 53.456 0.032 . . . . . . . . . . 5263 1 321 . 1 1 66 66 ASP CB C 13 41.135 0.041 . . . . . . . . . . 5263 1 322 . 1 1 66 66 ASP HA H 1 4.600 0.000 . . . . . . . . . . 5263 1 323 . 1 1 66 66 ASP HB2 H 1 2.843 0.000 . . . . . . . . . . 5263 1 324 . 1 1 66 66 ASP HB3 H 1 2.611 0.000 . . . . . . . . . . 5263 1 325 . 1 1 67 67 GLY N N 15 114.617 0.000 . . . . . . . . . . 5263 1 326 . 1 1 67 67 GLY H H 1 8.787 0.000 . . . . . . . . . . 5263 1 327 . 1 1 67 67 GLY CA C 13 47.291 0.000 . . . . . . . . . . 5263 1 328 . 1 1 67 67 GLY HA2 H 1 4.032 0.000 . . . . . . . . . . 5263 1 329 . 1 1 68 68 TRP N N 15 119.539 0.000 . . . . . . . . . . 5263 1 330 . 1 1 68 68 TRP H H 1 8.845 0.000 . . . . . . . . . . 5263 1 331 . 1 1 68 68 TRP CA C 13 55.364 0.031 . . . . . . . . . . 5263 1 332 . 1 1 68 68 TRP CB C 13 29.761 0.087 . . . . . . . . . . 5263 1 333 . 1 1 68 68 TRP HA H 1 5.142 0.000 . . . . . . . . . . 5263 1 334 . 1 1 68 68 TRP NE1 N 15 126.759 0.000 . . . . . . . . . . 5263 1 335 . 1 1 68 68 TRP HE3 H 1 6.949 0.000 . . . . . . . . . . 5263 1 336 . 1 1 68 68 TRP HE1 H 1 9.420 0.002 . . . . . . . . . . 5263 1 337 . 1 1 68 68 TRP HZ2 H 1 7.491 0.001 . . . . . . . . . . 5263 1 338 . 1 1 68 68 TRP HH2 H 1 6.816 0.000 . . . . . . . . . . 5263 1 339 . 1 1 69 69 ALA N N 15 126.759 0.000 . . . . . . . . . . 5263 1 340 . 1 1 69 69 ALA H H 1 8.014 0.000 . . . . . . . . . . 5263 1 341 . 1 1 69 69 ALA CA C 13 55.837 0.000 . . . . . . . . . . 5263 1 342 . 1 1 69 69 ALA CB C 13 18.500 0.017 . . . . . . . . . . 5263 1 343 . 1 1 69 69 ALA HA H 1 4.198 0.000 . . . . . . . . . . 5263 1 344 . 1 1 69 69 ALA HB1 H 1 1.597 0.005 . 1 . . . . . . . . 5263 1 345 . 1 1 69 69 ALA HB2 H 1 1.597 0.005 . 1 . . . . . . . . 5263 1 346 . 1 1 69 69 ALA HB3 H 1 1.597 0.005 . 1 . . . . . . . . 5263 1 347 . 1 1 70 70 SER N N 15 109.695 0.000 . . . . . . . . . . 5263 1 348 . 1 1 70 70 SER H H 1 8.787 0.000 . . . . . . . . . . 5263 1 349 . 1 1 70 70 SER CA C 13 59.435 3.666 . . . . . . . . . . 5263 1 350 . 1 1 70 70 SER CB C 13 64.456 0.000 . . . . . . . . . . 5263 1 351 . 1 1 70 70 SER HA H 1 4.553 0.000 . . . . . . . . . . 5263 1 352 . 1 1 70 70 SER HB2 H 1 5.137 0.000 . . . . . . . . . . 5263 1 353 . 1 1 70 70 SER HB3 H 1 3.862 0.000 . . . . . . . . . . 5263 1 354 . 1 1 71 71 ALA N N 15 124.134 0.000 . . . . . . . . . . 5263 1 355 . 1 1 71 71 ALA H H 1 7.504 0.000 . . . . . . . . . . 5263 1 356 . 1 1 71 71 ALA CA C 13 51.004 0.000 . . . . . . . . . . 5263 1 357 . 1 1 71 71 ALA CB C 13 20.245 0.000 . . . . . . . . . . 5263 1 358 . 1 1 71 71 ALA HA H 1 4.559 0.000 . . . . . . . . . . 5263 1 359 . 1 1 71 71 ALA HB1 H 1 1.329 0.002 . 1 . . . . . . . . 5263 1 360 . 1 1 71 71 ALA HB2 H 1 1.329 0.002 . 1 . . . . . . . . 5263 1 361 . 1 1 71 71 ALA HB3 H 1 1.329 0.002 . 1 . . . . . . . . 5263 1 362 . 1 1 73 73 ARG N N 15 125.446 0.000 . . . . . . . . . . 5263 1 363 . 1 1 73 73 ARG H H 1 8.854 0.000 . . . . . . . . . . 5263 1 364 . 1 1 73 73 ARG HA H 1 4.888 0.000 . . . . . . . . . . 5263 1 365 . 1 1 73 73 ARG CA C 13 54.486 0.000 . . . . . . . . . . 5263 1 366 . 1 1 73 73 ARG CB C 13 32.040 0.000 . . . . . . . . . . 5263 1 367 . 1 1 74 74 ILE N N 15 125.446 0.000 . . . . . . . . . . 5263 1 368 . 1 1 74 74 ILE H H 1 8.869 0.000 . . . . . . . . . . 5263 1 369 . 1 1 74 74 ILE CA C 13 59.443 0.024 . . . . . . . . . . 5263 1 370 . 1 1 74 74 ILE CB C 13 40.948 0.012 . . . . . . . . . . 5263 1 371 . 1 1 74 74 ILE HA H 1 4.891 0.001 . . . . . . . . . . 5263 1 372 . 1 1 74 74 ILE HB H 1 1.325 0.038 . . . . . . . . . . 5263 1 373 . 1 1 74 74 ILE HG21 H 1 0.313 0.003 . 1 . . . . . . . . 5263 1 374 . 1 1 74 74 ILE HG22 H 1 0.313 0.003 . 1 . . . . . . . . 5263 1 375 . 1 1 74 74 ILE HG23 H 1 0.313 0.003 . 1 . . . . . . . . 5263 1 376 . 1 1 74 74 ILE HG12 H 1 1.011 0.112 . . . . . . . . . . 5263 1 377 . 1 1 74 74 ILE HG13 H 1 1.013 0.115 . . . . . . . . . . 5263 1 378 . 1 1 74 74 ILE HD11 H 1 0.095 0.002 . 1 . . . . . . . . 5263 1 379 . 1 1 74 74 ILE HD12 H 1 0.095 0.002 . 1 . . . . . . . . 5263 1 380 . 1 1 74 74 ILE HD13 H 1 0.095 0.002 . 1 . . . . . . . . 5263 1 381 . 1 1 75 75 MET N N 15 125.118 0.000 . . . . . . . . . . 5263 1 382 . 1 1 75 75 MET H H 1 9.582 0.006 . . . . . . . . . . 5263 1 383 . 1 1 75 75 MET CA C 13 53.894 0.111 . . . . . . . . . . 5263 1 384 . 1 1 75 75 MET CB C 13 37.538 0.008 . . . . . . . . . . 5263 1 385 . 1 1 75 75 MET HA H 1 5.653 0.000 . . . . . . . . . . 5263 1 386 . 1 1 75 75 MET HB2 H 1 2.000 0.000 . . . . . . . . . . 5263 1 387 . 1 1 75 75 MET HB3 H 1 1.858 0.001 . . . . . . . . . . 5263 1 388 . 1 1 75 75 MET HG2 H 1 2.300 0.002 . . . . . . . . . . 5263 1 389 . 1 1 75 75 MET HG3 H 1 2.198 0.007 . . . . . . . . . . 5263 1 390 . 1 1 76 76 LEU N N 15 133.322 0.000 . . . . . . . . . . 5263 1 391 . 1 1 76 76 LEU H H 1 8.986 0.002 . . . . . . . . . . 5263 1 392 . 1 1 76 76 LEU HA H 1 3.725 0.001 . . . . . . . . . . 5263 1 393 . 1 1 76 76 LEU HB2 H 1 0.884 0.010 . . . . . . . . . . 5263 1 394 . 1 1 76 76 LEU HB3 H 1 0.699 0.070 . . . . . . . . . . 5263 1 395 . 1 1 76 76 LEU HD11 H 1 0.440 0.008 . 1 . . . . . . . . 5263 1 396 . 1 1 76 76 LEU HD12 H 1 0.440 0.008 . 1 . . . . . . . . 5263 1 397 . 1 1 76 76 LEU HD13 H 1 0.440 0.008 . 1 . . . . . . . . 5263 1 398 . 1 1 76 76 LEU HD21 H 1 0.141 0.009 . 1 . . . . . . . . 5263 1 399 . 1 1 76 76 LEU HD22 H 1 0.141 0.009 . 1 . . . . . . . . 5263 1 400 . 1 1 76 76 LEU HD23 H 1 0.141 0.009 . 1 . . . . . . . . 5263 1 401 . 1 1 76 76 LEU CA C 13 52.295 0.000 . . . . . . . . . . 5263 1 402 . 1 1 76 76 LEU CB C 13 40.140 0.000 . . . . . . . . . . 5263 1 403 . 1 1 77 77 SER N N 15 120.196 0.000 . . . . . . . . . . 5263 1 404 . 1 1 77 77 SER H H 1 7.321 0.000 . . . . . . . . . . 5263 1 405 . 1 1 77 77 SER CA C 13 57.060 0.230 . . . . . . . . . . 5263 1 406 . 1 1 77 77 SER CB C 13 63.867 0.193 . . . . . . . . . . 5263 1 407 . 1 1 77 77 SER HA H 1 4.817 0.004 . . . . . . . . . . 5263 1 408 . 1 1 78 78 ASN N N 15 120.852 0.000 . . . . . . . . . . 5263 1 409 . 1 1 78 78 ASN H H 1 9.101 0.008 . . . . . . . . . . 5263 1 410 . 1 1 78 78 ASN CA C 13 54.964 0.000 . . . . . . . . . . 5263 1 411 . 1 1 78 78 ASN HA H 1 4.146 0.005 . . . . . . . . . . 5263 1 412 . 1 1 78 78 ASN HB2 H 1 2.958 0.000 . . . . . . . . . . 5263 1 413 . 1 1 78 78 ASN HB3 H 1 2.728 0.001 . . . . . . . . . . 5263 1 414 . 1 1 79 79 ILE N N 15 115.929 0.000 . . . . . . . . . . 5263 1 415 . 1 1 79 79 ILE H H 1 8.232 0.002 . . . . . . . . . . 5263 1 416 . 1 1 79 79 ILE HA H 1 4.313 0.005 . . . . . . . . . . 5263 1 417 . 1 1 79 79 ILE HB H 1 0.910 0.004 . . . . . . . . . . 5263 1 418 . 1 1 79 79 ILE CA C 13 64.036 0.000 . . . . . . . . . . 5263 1 419 . 1 1 79 79 ILE CB C 13 42.572 0.000 . . . . . . . . . . 5263 1 420 . 1 1 80 80 ASN N N 15 121.508 0.000 . . . . . . . . . . 5263 1 421 . 1 1 80 80 ASN H H 1 9.069 0.001 . . . . . . . . . . 5263 1 422 . 1 1 80 80 ASN CA C 13 54.787 0.000 . . . . . . . . . . 5263 1 423 . 1 1 80 80 ASN CB C 13 36.443 0.021 . . . . . . . . . . 5263 1 424 . 1 1 80 80 ASN HA H 1 4.042 0.000 . . . . . . . . . . 5263 1 425 . 1 1 81 81 ALA N N 15 120.524 0.000 . . . . . . . . . . 5263 1 426 . 1 1 81 81 ALA H H 1 7.386 0.000 . . . . . . . . . . 5263 1 427 . 1 1 81 81 ALA CA C 13 50.997 0.000 . . . . . . . . . . 5263 1 428 . 1 1 81 81 ALA CB C 13 21.840 0.000 . . . . . . . . . . 5263 1 429 . 1 1 81 81 ALA HA H 1 4.548 0.000 . . . . . . . . . . 5263 1 430 . 1 1 81 81 ALA HB1 H 1 1.424 0.005 . 1 . . . . . . . . 5263 1 431 . 1 1 81 81 ALA HB2 H 1 1.424 0.005 . 1 . . . . . . . . 5263 1 432 . 1 1 81 81 ALA HB3 H 1 1.424 0.005 . 1 . . . . . . . . 5263 1 433 . 1 1 82 82 THR N N 15 106.741 0.000 . . . . . . . . . . 5263 1 434 . 1 1 82 82 THR H H 1 7.720 0.000 . . . . . . . . . . 5263 1 435 . 1 1 82 82 THR CA C 13 59.276 0.044 . . . . . . . . . . 5263 1 436 . 1 1 82 82 THR CB C 13 70.932 0.158 . . . . . . . . . . 5263 1 437 . 1 1 82 82 THR HA H 1 4.401 0.000 . . . . . . . . . . 5263 1 438 . 1 1 82 82 THR HB H 1 4.334 0.004 . . . . . . . . . . 5263 1 439 . 1 1 82 82 THR HG21 H 1 0.839 0.005 . 1 . . . . . . . . 5263 1 440 . 1 1 82 82 THR HG22 H 1 0.839 0.005 . 1 . . . . . . . . 5263 1 441 . 1 1 82 82 THR HG23 H 1 0.839 0.005 . 1 . . . . . . . . 5263 1 442 . 1 1 83 83 ARG N N 15 119.868 0.000 . . . . . . . . . . 5263 1 443 . 1 1 83 83 ARG H H 1 9.420 0.000 . . . . . . . . . . 5263 1 444 . 1 1 83 83 ARG CA C 13 56.490 0.057 . . . . . . . . . . 5263 1 445 . 1 1 83 83 ARG CB C 13 31.442 0.095 . . . . . . . . . . 5263 1 446 . 1 1 83 83 ARG HA H 1 4.354 0.000 . . . . . . . . . . 5263 1 447 . 1 1 84 84 GLY N N 15 109.695 0.000 . . . . . . . . . . 5263 1 448 . 1 1 84 84 GLY H H 1 8.348 0.000 . . . . . . . . . . 5263 1 449 . 1 1 84 84 GLY CA C 13 46.394 0.000 . . . . . . . . . . 5263 1 450 . 1 1 85 85 ASN N N 15 124.462 0.000 . . . . . . . . . . 5263 1 451 . 1 1 85 85 ASN H H 1 8.638 0.000 . . . . . . . . . . 5263 1 452 . 1 1 85 85 ASN HA H 1 4.702 0.000 . . . . . . . . . . 5263 1 453 . 1 1 85 85 ASN CA C 13 52.102 0.000 . . . . . . . . . . 5263 1 454 . 1 1 85 85 ASN CB C 13 37.998 0.000 . . . . . . . . . . 5263 1 455 . 1 1 86 86 ASN N N 15 117.242 0.000 . . . . . . . . . . 5263 1 456 . 1 1 86 86 ASN H H 1 7.652 0.000 . . . . . . . . . . 5263 1 457 . 1 1 86 86 ASN CA C 13 54.229 0.000 . . . . . . . . . . 5263 1 458 . 1 1 86 86 ASN CB C 13 40.500 0.019 . . . . . . . . . . 5263 1 459 . 1 1 86 86 ASN HA H 1 4.685 0.009 . . . . . . . . . . 5263 1 460 . 1 1 86 86 ASN HB2 H 1 2.873 0.000 . . . . . . . . . . 5263 1 461 . 1 1 86 86 ASN HB3 H 1 2.595 0.000 . . . . . . . . . . 5263 1 462 . 1 1 87 87 LYS N N 15 123.477 0.000 . . . . . . . . . . 5263 1 463 . 1 1 87 87 LYS H H 1 8.071 0.001 . . . . . . . . . . 5263 1 464 . 1 1 87 87 LYS HA H 1 3.977 0.000 . . . . . . . . . . 5263 1 465 . 1 1 87 87 LYS HB2 H 1 1.656 0.005 . . . . . . . . . . 5263 1 466 . 1 1 87 87 LYS HB3 H 1 1.316 0.007 . . . . . . . . . . 5263 1 467 . 1 1 87 87 LYS CA C 13 57.146 0.000 . . . . . . . . . . 5263 1 468 . 1 1 87 87 LYS CB C 13 35.568 0.000 . . . . . . . . . . 5263 1 469 . 1 1 88 88 TYR N N 15 112.210 0.143 . . . . . . . . . . 5263 1 470 . 1 1 88 88 TYR H H 1 8.462 0.001 . . . . . . . . . . 5263 1 471 . 1 1 88 88 TYR HA H 1 6.160 0.002 . . . . . . . . . . 5263 1 472 . 1 1 88 88 TYR HB2 H 1 2.869 0.077 . . . . . . . . . . 5263 1 473 . 1 1 88 88 TYR HB3 H 1 2.661 0.000 . . . . . . . . . . 5263 1 474 . 1 1 89 89 LEU CA C 13 54.883 0.000 . . . . . . . . . . 5263 1 475 . 1 1 89 89 LEU CB C 13 44.592 0.000 . . . . . . . . . . 5263 1 476 . 1 1 89 89 LEU N N 15 121.956 1.548 . . . . . . . . . . 5263 1 477 . 1 1 89 89 LEU H H 1 8.148 0.002 . . . . . . . . . . 5263 1 478 . 1 1 89 89 LEU HA H 1 5.094 0.000 . . . . . . . . . . 5263 1 479 . 1 1 89 89 LEU HB2 H 1 2.283 0.008 . . . . . . . . . . 5263 1 480 . 1 1 89 89 LEU HB3 H 1 1.456 0.003 . . . . . . . . . . 5263 1 481 . 1 1 89 89 LEU HG H 1 1.691 0.356 . . . . . . . . . . 5263 1 482 . 1 1 89 89 LEU HD11 H 1 0.817 0.062 . 1 . . . . . . . . 5263 1 483 . 1 1 89 89 LEU HD12 H 1 0.817 0.062 . 1 . . . . . . . . 5263 1 484 . 1 1 89 89 LEU HD13 H 1 0.817 0.062 . 1 . . . . . . . . 5263 1 485 . 1 1 89 89 LEU HD21 H 1 0.627 0.000 . 1 . . . . . . . . 5263 1 486 . 1 1 89 89 LEU HD22 H 1 0.627 0.000 . 1 . . . . . . . . 5263 1 487 . 1 1 89 89 LEU HD23 H 1 0.627 0.000 . 1 . . . . . . . . 5263 1 488 . 1 1 90 90 ALA N N 15 131.353 0.000 . . . . . . . . . . 5263 1 489 . 1 1 90 90 ALA H H 1 9.666 0.001 . . . . . . . . . . 5263 1 490 . 1 1 90 90 ALA HA H 1 5.453 0.000 . . . . . . . . . . 5263 1 491 . 1 1 90 90 ALA HB1 H 1 1.189 0.000 . 1 . . . . . . . . 5263 1 492 . 1 1 90 90 ALA HB2 H 1 1.189 0.000 . 1 . . . . . . . . 5263 1 493 . 1 1 90 90 ALA HB3 H 1 1.189 0.000 . 1 . . . . . . . . 5263 1 494 . 1 1 90 90 ALA CA C 13 49.992 0.051 . . . . . . . . . . 5263 1 495 . 1 1 90 90 ALA CB C 13 24.213 0.044 . . . . . . . . . . 5263 1 496 . 1 1 91 91 PHE N N 15 109.695 0.000 . . . . . . . . . . 5263 1 497 . 1 1 91 91 PHE H H 1 8.089 0.001 . . . . . . . . . . 5263 1 498 . 1 1 91 91 PHE CA C 13 56.841 0.075 . . . . . . . . . . 5263 1 499 . 1 1 91 91 PHE CB C 13 40.323 0.027 . . . . . . . . . . 5263 1 500 . 1 1 91 91 PHE HA H 1 4.996 0.000 . . . . . . . . . . 5263 1 501 . 1 1 91 91 PHE HB2 H 1 3.519 0.000 . . . . . . . . . . 5263 1 502 . 1 1 91 91 PHE HB3 H 1 3.138 0.000 . . . . . . . . . . 5263 1 503 . 1 1 92 92 ASP N N 15 118.555 0.000 . . . . . . . . . . 5263 1 504 . 1 1 92 92 ASP H H 1 9.024 0.000 . . . . . . . . . . 5263 1 505 . 1 1 92 92 ASP CA C 13 54.939 0.000 . . . . . . . . . . 5263 1 506 . 1 1 92 92 ASP CB C 13 45.138 0.033 . . . . . . . . . . 5263 1 507 . 1 1 92 92 ASP HA H 1 5.127 0.009 . . . . . . . . . . 5263 1 508 . 1 1 93 93 PHE N N 15 124.790 0.000 . . . . . . . . . . 5263 1 509 . 1 1 93 93 PHE H H 1 8.934 0.000 . . . . . . . . . . 5263 1 510 . 1 1 93 93 PHE HA H 1 4.887 0.000 . . . . . . . . . . 5263 1 511 . 1 1 93 93 PHE CA C 13 55.197 0.000 . . . . . . . . . . 5263 1 512 . 1 1 93 93 PHE CB C 13 44.837 0.000 . . . . . . . . . . 5263 1 513 . 1 1 97 97 PRO CA C 13 62.840 0.000 . . . . . . . . . . 5263 1 514 . 1 1 97 97 PRO CB C 13 32.670 0.000 . . . . . . . . . . 5263 1 515 . 1 1 97 97 PRO HA H 1 4.770 0.000 . . . . . . . . . . 5263 1 516 . 1 1 98 98 THR N N 15 117.242 0.000 . . . . . . . . . . 5263 1 517 . 1 1 98 98 THR H H 1 9.678 0.000 . . . . . . . . . . 5263 1 518 . 1 1 98 98 THR CA C 13 63.655 0.000 . . . . . . . . . . 5263 1 519 . 1 1 98 98 THR CB C 13 68.382 0.049 . . . . . . . . . . 5263 1 520 . 1 1 98 98 THR HA H 1 4.346 0.000 . . . . . . . . . . 5263 1 521 . 1 1 98 98 THR HB H 1 4.113 0.000 . . . . . . . . . . 5263 1 522 . 1 1 98 98 THR HG21 H 1 1.191 0.000 . 1 . . . . . . . . 5263 1 523 . 1 1 98 98 THR HG22 H 1 1.191 0.000 . 1 . . . . . . . . 5263 1 524 . 1 1 98 98 THR HG23 H 1 1.191 0.000 . 1 . . . . . . . . 5263 1 525 . 1 1 99 99 GLN N N 15 123.477 0.000 . . . . . . . . . . 5263 1 526 . 1 1 99 99 GLN H H 1 7.786 0.000 . . . . . . . . . . 5263 1 527 . 1 1 99 99 GLN CA C 13 55.864 0.120 . . . . . . . . . . 5263 1 528 . 1 1 99 99 GLN CB C 13 31.984 0.000 . . . . . . . . . . 5263 1 529 . 1 1 99 99 GLN HA H 1 4.252 0.024 . . . . . . . . . . 5263 1 530 . 1 1 100 100 ALA N N 15 124.461 0.000 . . . . . . . . . . 5263 1 531 . 1 1 100 100 ALA H H 1 8.607 0.000 . . . . . . . . . . 5263 1 532 . 1 1 100 100 ALA HA H 1 4.276 0.000 . . . . . . . . . . 5263 1 533 . 1 1 100 100 ALA HB1 H 1 1.564 0.000 . 1 . . . . . . . . 5263 1 534 . 1 1 100 100 ALA HB2 H 1 1.564 0.000 . 1 . . . . . . . . 5263 1 535 . 1 1 100 100 ALA HB3 H 1 1.564 0.000 . 1 . . . . . . . . 5263 1 536 . 1 1 100 100 ALA CA C 13 53.486 0.000 . . . . . . . . . . 5263 1 537 . 1 1 100 100 ALA CB C 13 20.288 0.000 . . . . . . . . . . 5263 1 538 . 1 1 101 101 SER N N 15 124.462 0.000 . . . . . . . . . . 5263 1 539 . 1 1 101 101 SER H H 1 11.782 0.000 . . . . . . . . . . 5263 1 540 . 1 1 101 101 SER CA C 13 59.516 0.000 . . . . . . . . . . 5263 1 541 . 1 1 101 101 SER CB C 13 66.901 0.000 . . . . . . . . . . 5263 1 542 . 1 1 101 101 SER HA H 1 4.646 0.000 . . . . . . . . . . 5263 1 543 . 1 1 102 102 LYS N N 15 123.477 0.000 . . . . . . . . . . 5263 1 544 . 1 1 102 102 LYS H H 1 8.306 0.001 . . . . . . . . . . 5263 1 545 . 1 1 102 102 LYS CA C 13 54.896 0.008 . . . . . . . . . . 5263 1 546 . 1 1 102 102 LYS CB C 13 35.597 0.064 . . . . . . . . . . 5263 1 547 . 1 1 102 102 LYS HA H 1 4.744 0.000 . . . . . . . . . . 5263 1 548 . 1 1 103 103 GLY N N 15 105.429 0.000 . . . . . . . . . . 5263 1 549 . 1 1 103 103 GLY H H 1 8.357 0.000 . . . . . . . . . . 5263 1 550 . 1 1 103 103 GLY CA C 13 44.952 0.053 . . . . . . . . . . 5263 1 551 . 1 1 103 103 GLY HA2 H 1 3.980 0.000 . . . . . . . . . . 5263 1 552 . 1 1 103 103 GLY HA3 H 1 3.731 0.000 . . . . . . . . . . 5263 1 553 . 1 1 104 104 SER N N 15 115.602 0.000 . . . . . . . . . . 5263 1 554 . 1 1 104 104 SER H H 1 8.504 0.000 . . . . . . . . . . 5263 1 555 . 1 1 104 104 SER CA C 13 56.551 0.172 . . . . . . . . . . 5263 1 556 . 1 1 104 104 SER CB C 13 66.785 0.000 . . . . . . . . . . 5263 1 557 . 1 1 104 104 SER HA H 1 5.431 0.000 . . . . . . . . . . 5263 1 558 . 1 1 104 104 SER HB2 H 1 3.640 0.005 . . . . . . . . . . 5263 1 559 . 1 1 104 104 SER HB3 H 1 3.517 0.000 . . . . . . . . . . 5263 1 560 . 1 1 105 105 LEU N N 15 116.914 0.000 . . . . . . . . . . 5263 1 561 . 1 1 105 105 LEU H H 1 7.991 0.000 . . . . . . . . . . 5263 1 562 . 1 1 105 105 LEU CA C 13 52.816 0.019 . . . . . . . . . . 5263 1 563 . 1 1 105 105 LEU CB C 13 44.648 0.170 . . . . . . . . . . 5263 1 564 . 1 1 105 105 LEU HA H 1 4.904 0.132 . . . . . . . . . . 5263 1 565 . 1 1 105 105 LEU HB2 H 1 1.520 0.000 . . . . . . . . . . 5263 1 566 . 1 1 105 105 LEU HB3 H 1 1.408 0.000 . . . . . . . . . . 5263 1 567 . 1 1 105 105 LEU HG H 1 0.839 0.001 . . . . . . . . . . 5263 1 568 . 1 1 105 105 LEU HD11 H 1 0.742 0.005 . 1 . . . . . . . . 5263 1 569 . 1 1 105 105 LEU HD12 H 1 0.742 0.005 . 1 . . . . . . . . 5263 1 570 . 1 1 105 105 LEU HD13 H 1 0.742 0.005 . 1 . . . . . . . . 5263 1 571 . 1 1 105 105 LEU HD21 H 1 0.370 0.000 . 1 . . . . . . . . 5263 1 572 . 1 1 105 105 LEU HD22 H 1 0.370 0.000 . 1 . . . . . . . . 5263 1 573 . 1 1 105 105 LEU HD23 H 1 0.370 0.000 . 1 . . . . . . . . 5263 1 574 . 1 1 106 106 SER N N 15 116.586 0.000 . . . . . . . . . . 5263 1 575 . 1 1 106 106 SER H H 1 8.857 0.000 . . . . . . . . . . 5263 1 576 . 1 1 106 106 SER CA C 13 56.164 0.000 . . . . . . . . . . 5263 1 577 . 1 1 106 106 SER CB C 13 64.489 0.092 . . . . . . . . . . 5263 1 578 . 1 1 106 106 SER HA H 1 5.155 0.000 . . . . . . . . . . 5263 1 579 . 1 1 106 106 SER HB2 H 1 3.563 0.000 . . . . . . . . . . 5263 1 580 . 1 1 106 106 SER HB3 H 1 3.382 0.001 . . . . . . . . . . 5263 1 581 . 1 1 107 107 ILE N N 15 129.056 0.000 . . . . . . . . . . 5263 1 582 . 1 1 107 107 ILE H H 1 9.665 0.000 . . . . . . . . . . 5263 1 583 . 1 1 107 107 ILE CA C 13 62.068 0.000 . . . . . . . . . . 5263 1 584 . 1 1 107 107 ILE CB C 13 36.974 0.000 . . . . . . . . . . 5263 1 585 . 1 1 107 107 ILE HA H 1 4.144 1.097 . . . . . . . . . . 5263 1 586 . 1 1 107 107 ILE HB H 1 0.896 0.005 . . . . . . . . . . 5263 1 587 . 1 1 107 107 ILE HG21 H 1 0.496 0.024 . 1 . . . . . . . . 5263 1 588 . 1 1 107 107 ILE HG22 H 1 0.496 0.024 . 1 . . . . . . . . 5263 1 589 . 1 1 107 107 ILE HG23 H 1 0.496 0.024 . 1 . . . . . . . . 5263 1 590 . 1 1 107 107 ILE HD11 H 1 -0.324 0.003 . 1 . . . . . . . . 5263 1 591 . 1 1 107 107 ILE HD12 H 1 -0.324 0.003 . 1 . . . . . . . . 5263 1 592 . 1 1 107 107 ILE HD13 H 1 -0.324 0.003 . 1 . . . . . . . . 5263 1 593 . 1 1 108 108 ASN N N 15 132.338 0.000 . . . . . . . . . . 5263 1 594 . 1 1 108 108 ASN H H 1 10.176 0.000 . . . . . . . . . . 5263 1 595 . 1 1 108 108 ASN CA C 13 52.018 0.020 . . . . . . . . . . 5263 1 596 . 1 1 108 108 ASN CB C 13 42.431 0.047 . . . . . . . . . . 5263 1 597 . 1 1 108 108 ASN HA H 1 3.854 1.383 . . . . . . . . . . 5263 1 598 . 1 1 108 108 ASN HB2 H 1 2.589 0.006 . . . . . . . . . . 5263 1 599 . 1 1 108 108 ASN HB3 H 1 2.472 0.003 . . . . . . . . . . 5263 1 600 . 1 1 108 108 ASN ND2 N 15 107.889 0.000 . . . . . . . . . . 5263 1 601 . 1 1 108 108 ASN HD21 H 1 6.425 0.169 . . . . . . . . . . 5263 1 602 . 1 1 108 108 ASN HD22 H 1 6.443 0.570 . . . . . . . . . . 5263 1 603 . 1 1 109 109 LEU N N 15 123.806 0.000 . . . . . . . . . . 5263 1 604 . 1 1 109 109 LEU H H 1 8.690 0.000 . . . . . . . . . . 5263 1 605 . 1 1 109 109 LEU CA C 13 52.910 0.006 . . . . . . . . . . 5263 1 606 . 1 1 109 109 LEU CB C 13 43.587 0.000 . . . . . . . . . . 5263 1 607 . 1 1 109 109 LEU HA H 1 4.601 0.000 . . . . . . . . . . 5263 1 608 . 1 1 109 109 LEU HD11 H 1 0.060 0.001 . 1 . . . . . . . . 5263 1 609 . 1 1 109 109 LEU HD12 H 1 0.060 0.001 . 1 . . . . . . . . 5263 1 610 . 1 1 109 109 LEU HD13 H 1 0.060 0.001 . 1 . . . . . . . . 5263 1 611 . 1 1 109 109 LEU HD21 H 1 0.414 0.009 . 1 . . . . . . . . 5263 1 612 . 1 1 109 109 LEU HD22 H 1 0.414 0.009 . 1 . . . . . . . . 5263 1 613 . 1 1 109 109 LEU HD23 H 1 0.414 0.009 . 1 . . . . . . . . 5263 1 614 . 1 1 110 110 ALA N N 15 127.743 0.000 . . . . . . . . . . 5263 1 615 . 1 1 110 110 ALA H H 1 8.800 0.000 . . . . . . . . . . 5263 1 616 . 1 1 110 110 ALA CA C 13 49.518 0.027 . . . . . . . . . . 5263 1 617 . 1 1 110 110 ALA CB C 13 23.271 0.000 . . . . . . . . . . 5263 1 618 . 1 1 110 110 ALA HA H 1 4.549 0.000 . . . . . . . . . . 5263 1 619 . 1 1 110 110 ALA HB1 H 1 0.451 0.005 . 1 . . . . . . . . 5263 1 620 . 1 1 110 110 ALA HB2 H 1 0.451 0.005 . 1 . . . . . . . . 5263 1 621 . 1 1 110 110 ALA HB3 H 1 0.451 0.005 . 1 . . . . . . . . 5263 1 622 . 1 1 111 111 PHE N N 15 114.940 0.036 . . . . . . . . . . 5263 1 623 . 1 1 111 111 PHE H H 1 8.571 0.016 . . . . . . . . . . 5263 1 624 . 1 1 111 111 PHE HA H 1 5.221 0.000 . . . . . . . . . . 5263 1 625 . 1 1 111 111 PHE HB2 H 1 2.966 0.002 . . . . . . . . . . 5263 1 626 . 1 1 111 111 PHE HB3 H 1 2.332 0.001 . . . . . . . . . . 5263 1 627 . 1 1 111 111 PHE CA C 13 54.901 0.033 . . . . . . . . . . 5263 1 628 . 1 1 111 111 PHE CB C 13 45.564 0.034 . . . . . . . . . . 5263 1 629 . 1 1 112 112 ALA N N 15 120.196 0.000 . . . . . . . . . . 5263 1 630 . 1 1 112 112 ALA H H 1 7.847 0.003 . . . . . . . . . . 5263 1 631 . 1 1 112 112 ALA CA C 13 48.221 0.000 . . . . . . . . . . 5263 1 632 . 1 1 112 112 ALA CB C 13 21.484 0.000 . . . . . . . . . . 5263 1 633 . 1 1 112 112 ALA HA H 1 3.999 0.000 . . . . . . . . . . 5263 1 634 . 1 1 112 112 ALA HB1 H 1 1.992 0.000 . 1 . . . . . . . . 5263 1 635 . 1 1 112 112 ALA HB2 H 1 1.992 0.000 . 1 . . . . . . . . 5263 1 636 . 1 1 112 112 ALA HB3 H 1 1.992 0.000 . 1 . . . . . . . . 5263 1 637 . 1 1 114 114 PRO CA C 13 64.866 0.000 . . . . . . . . . . 5263 1 638 . 1 1 114 114 PRO CB C 13 32.126 0.000 . . . . . . . . . . 5263 1 639 . 1 1 115 115 THR N N 15 105.101 0.000 . . . . . . . . . . 5263 1 640 . 1 1 115 115 THR H H 1 8.173 0.000 . . . . . . . . . . 5263 1 641 . 1 1 115 115 THR CA C 13 62.715 0.000 . . . . . . . . . . 5263 1 642 . 1 1 115 115 THR CB C 13 68.952 0.000 . . . . . . . . . . 5263 1 643 . 1 1 115 115 THR HA H 1 4.392 0.191 . . . . . . . . . . 5263 1 644 . 1 1 115 115 THR HB H 1 4.604 0.000 . . . . . . . . . . 5263 1 645 . 1 1 115 115 THR HG21 H 1 1.266 0.006 . 1 . . . . . . . . 5263 1 646 . 1 1 115 115 THR HG22 H 1 1.266 0.006 . 1 . . . . . . . . 5263 1 647 . 1 1 115 115 THR HG23 H 1 1.266 0.006 . 1 . . . . . . . . 5263 1 648 . 1 1 116 116 LEU N N 15 122.821 0.000 . . . . . . . . . . 5263 1 649 . 1 1 116 116 LEU H H 1 7.496 0.000 . . . . . . . . . . 5263 1 650 . 1 1 116 116 LEU CA C 13 52.368 0.224 . . . . . . . . . . 5263 1 651 . 1 1 116 116 LEU CB C 13 42.317 0.122 . . . . . . . . . . 5263 1 652 . 1 1 116 116 LEU HA H 1 4.937 0.005 . . . . . . . . . . 5263 1 653 . 1 1 116 116 LEU HB2 H 1 1.987 0.196 . . . . . . . . . . 5263 1 654 . 1 1 116 116 LEU HB3 H 1 1.757 0.013 . . . . . . . . . . 5263 1 655 . 1 1 116 116 LEU HG H 1 1.518 0.001 . . . . . . . . . . 5263 1 656 . 1 1 116 116 LEU HD11 H 1 0.792 0.003 . 1 . . . . . . . . 5263 1 657 . 1 1 116 116 LEU HD12 H 1 0.792 0.003 . 1 . . . . . . . . 5263 1 658 . 1 1 116 116 LEU HD13 H 1 0.792 0.003 . 1 . . . . . . . . 5263 1 659 . 1 1 116 116 LEU HD21 H 1 0.965 0.000 . 1 . . . . . . . . 5263 1 660 . 1 1 116 116 LEU HD22 H 1 0.965 0.000 . 1 . . . . . . . . 5263 1 661 . 1 1 116 116 LEU HD23 H 1 0.965 0.000 . 1 . . . . . . . . 5263 1 662 . 1 1 117 117 GLY N N 15 107.726 0.000 . . . . . . . . . . 5263 1 663 . 1 1 117 117 GLY H H 1 8.060 0.000 . . . . . . . . . . 5263 1 664 . 1 1 117 117 GLY CA C 13 46.938 0.104 . . . . . . . . . . 5263 1 665 . 1 1 117 117 GLY HA2 H 1 3.984 0.045 . . . . . . . . . . 5263 1 666 . 1 1 117 117 GLY HA3 H 1 3.899 0.006 . . . . . . . . . . 5263 1 667 . 1 1 118 118 TYR N N 15 108.710 0.000 . . . . . . . . . . 5263 1 668 . 1 1 118 118 TYR H H 1 7.659 0.009 . . . . . . . . . . 5263 1 669 . 1 1 118 118 TYR CA C 13 60.896 0.054 . . . . . . . . . . 5263 1 670 . 1 1 118 118 TYR CB C 13 34.547 0.074 . . . . . . . . . . 5263 1 671 . 1 1 118 118 TYR HA H 1 4.822 0.002 . . . . . . . . . . 5263 1 672 . 1 1 118 118 TYR HB2 H 1 3.325 0.001 . . . . . . . . . . 5263 1 673 . 1 1 118 118 TYR HB3 H 1 3.038 0.004 . . . . . . . . . . 5263 1 674 . 1 1 119 119 TRP N N 15 117.242 0.000 . . . . . . . . . . 5263 1 675 . 1 1 119 119 TRP H H 1 7.340 0.000 . . . . . . . . . . 5263 1 676 . 1 1 119 119 TRP CA C 13 58.506 0.155 . . . . . . . . . . 5263 1 677 . 1 1 119 119 TRP CB C 13 32.240 0.042 . . . . . . . . . . 5263 1 678 . 1 1 119 119 TRP HA H 1 5.484 0.000 . . . . . . . . . . 5263 1 679 . 1 1 119 119 TRP HB2 H 1 3.392 0.001 . . . . . . . . . . 5263 1 680 . 1 1 119 119 TRP HB3 H 1 3.239 0.001 . . . . . . . . . . 5263 1 681 . 1 1 119 119 TRP NE1 N 15 129.665 0.445 . . . . . . . . . . 5263 1 682 . 1 1 119 119 TRP HE3 H 1 7.186 0.005 . . . . . . . . . . 5263 1 683 . 1 1 119 119 TRP HE1 H 1 10.169 0.002 . . . . . . . . . . 5263 1 684 . 1 1 119 119 TRP HZ2 H 1 7.515 0.001 . . . . . . . . . . 5263 1 685 . 1 1 119 119 TRP HH2 H 1 7.144 0.186 . . . . . . . . . . 5263 1 686 . 1 1 120 120 ALA N N 15 128.072 0.000 . . . . . . . . . . 5263 1 687 . 1 1 120 120 ALA H H 1 7.827 0.000 . . . . . . . . . . 5263 1 688 . 1 1 120 120 ALA HA H 1 4.756 0.003 . . . . . . . . . . 5263 1 689 . 1 1 120 120 ALA HB1 H 1 1.163 0.002 . 1 . . . . . . . . 5263 1 690 . 1 1 120 120 ALA HB2 H 1 1.163 0.002 . 1 . . . . . . . . 5263 1 691 . 1 1 120 120 ALA HB3 H 1 1.163 0.002 . 1 . . . . . . . . 5263 1 692 . 1 1 120 120 ALA CA C 13 50.996 0.015 . . . . . . . . . . 5263 1 693 . 1 1 120 120 ALA CB C 13 21.406 0.000 . . . . . . . . . . 5263 1 694 . 1 1 121 121 GLN N N 15 124.462 0.000 . . . . . . . . . . 5263 1 695 . 1 1 121 121 GLN H H 1 9.441 0.000 . . . . . . . . . . 5263 1 696 . 1 1 121 121 GLN CA C 13 54.256 0.000 . . . . . . . . . . 5263 1 697 . 1 1 121 121 GLN CB C 13 32.311 0.163 . . . . . . . . . . 5263 1 698 . 1 1 121 121 GLN HA H 1 4.607 0.004 . . . . . . . . . . 5263 1 699 . 1 1 122 122 ALA N N 15 129.384 0.000 . . . . . . . . . . 5263 1 700 . 1 1 122 122 ALA H H 1 8.411 0.008 . . . . . . . . . . 5263 1 701 . 1 1 122 122 ALA CA C 13 53.160 0.000 . . . . . . . . . . 5263 1 702 . 1 1 122 122 ALA CB C 13 18.449 0.000 . . . . . . . . . . 5263 1 703 . 1 1 122 122 ALA HA H 1 4.587 0.000 . . . . . . . . . . 5263 1 704 . 1 1 122 122 ALA HB1 H 1 1.646 0.000 . 1 . . . . . . . . 5263 1 705 . 1 1 122 122 ALA HB2 H 1 1.646 0.000 . 1 . . . . . . . . 5263 1 706 . 1 1 122 122 ALA HB3 H 1 1.646 0.000 . 1 . . . . . . . . 5263 1 707 . 1 1 123 123 SER N N 15 119.539 0.000 . . . . . . . . . . 5263 1 708 . 1 1 123 123 SER H H 1 9.083 0.000 . . . . . . . . . . 5263 1 709 . 1 1 123 123 SER CA C 13 60.713 0.055 . . . . . . . . . . 5263 1 710 . 1 1 123 123 SER HA H 1 4.464 0.000 . . . . . . . . . . 5263 1 711 . 1 1 123 123 SER HB2 H 1 3.926 0.000 . . . . . . . . . . 5263 1 712 . 1 1 123 123 SER HB3 H 1 3.558 0.000 . . . . . . . . . . 5263 1 713 . 1 1 124 124 VAL N N 15 122.821 0.000 . . . . . . . . . . 5263 1 714 . 1 1 124 124 VAL H H 1 8.494 0.000 . . . . . . . . . . 5263 1 715 . 1 1 124 124 VAL CA C 13 61.273 0.000 . . . . . . . . . . 5263 1 716 . 1 1 124 124 VAL CB C 13 33.422 0.000 . . . . . . . . . . 5263 1 717 . 1 1 124 124 VAL HA H 1 4.227 0.002 . . . . . . . . . . 5263 1 718 . 1 1 124 124 VAL HB H 1 2.230 0.325 . . . . . . . . . . 5263 1 719 . 1 1 124 124 VAL HG11 H 1 0.998 0.002 . 1 . . . . . . . . 5263 1 720 . 1 1 124 124 VAL HG12 H 1 0.998 0.002 . 1 . . . . . . . . 5263 1 721 . 1 1 124 124 VAL HG13 H 1 0.998 0.002 . 1 . . . . . . . . 5263 1 722 . 1 1 124 124 VAL HG21 H 1 0.761 0.005 . 1 . . . . . . . . 5263 1 723 . 1 1 124 124 VAL HG22 H 1 0.761 0.005 . 1 . . . . . . . . 5263 1 724 . 1 1 124 124 VAL HG23 H 1 0.761 0.005 . 1 . . . . . . . . 5263 1 725 . 1 1 125 125 ASN N N 15 125.118 0.000 . . . . . . . . . . 5263 1 726 . 1 1 125 125 ASN H H 1 8.409 0.002 . . . . . . . . . . 5263 1 727 . 1 1 125 125 ASN HA H 1 4.976 0.000 . . . . . . . . . . 5263 1 728 . 1 1 125 125 ASN CA C 13 54.028 1.557 . . . . . . . . . . 5263 1 729 . 1 1 125 125 ASN CB C 13 37.892 2.202 . . . . . . . . . . 5263 1 730 . 1 1 126 126 PHE N N 15 108.382 0.000 . . . . . . . . . . 5263 1 731 . 1 1 126 126 PHE H H 1 8.195 0.002 . . . . . . . . . . 5263 1 732 . 1 1 126 126 PHE CA C 13 60.821 0.000 . . . . . . . . . . 5263 1 733 . 1 1 126 126 PHE HA H 1 4.270 0.000 . . . . . . . . . . 5263 1 734 . 1 1 130 130 LEU CA C 13 56.602 0.000 . . . . . . . . . . 5263 1 735 . 1 1 130 130 LEU CB C 13 40.064 0.000 . . . . . . . . . . 5263 1 736 . 1 1 130 130 LEU N N 15 122.493 0.000 . . . . . . . . . . 5263 1 737 . 1 1 130 130 LEU H H 1 8.209 0.048 . . . . . . . . . . 5263 1 738 . 1 1 131 131 THR N N 15 109.695 0.000 . . . . . . . . . . 5263 1 739 . 1 1 131 131 THR H H 1 8.066 0.000 . . . . . . . . . . 5263 1 740 . 1 1 131 131 THR CA C 13 63.479 0.000 . . . . . . . . . . 5263 1 741 . 1 1 131 131 THR CB C 13 68.678 0.000 . . . . . . . . . . 5263 1 742 . 1 1 131 131 THR HA H 1 3.981 0.000 . . . . . . . . . . 5263 1 743 . 1 1 131 131 THR HB H 1 4.687 0.000 . . . . . . . . . . 5263 1 744 . 1 1 132 132 LYS N N 15 119.211 0.000 . . . . . . . . . . 5263 1 745 . 1 1 132 132 LYS H H 1 7.477 0.012 . . . . . . . . . . 5263 1 746 . 1 1 132 132 LYS CA C 13 56.075 0.080 . . . . . . . . . . 5263 1 747 . 1 1 132 132 LYS CB C 13 32.628 0.057 . . . . . . . . . . 5263 1 748 . 1 1 132 132 LYS HA H 1 4.374 0.000 . . . . . . . . . . 5263 1 749 . 1 1 132 132 LYS HB2 H 1 1.950 0.000 . . . . . . . . . . 5263 1 750 . 1 1 132 132 LYS HB3 H 1 1.612 0.009 . . . . . . . . . . 5263 1 751 . 1 1 133 133 LEU N N 15 119.539 0.000 . . . . . . . . . . 5263 1 752 . 1 1 133 133 LEU H H 1 7.241 0.000 . . . . . . . . . . 5263 1 753 . 1 1 133 133 LEU CA C 13 57.959 0.260 . . . . . . . . . . 5263 1 754 . 1 1 133 133 LEU CB C 13 40.014 0.126 . . . . . . . . . . 5263 1 755 . 1 1 133 133 LEU HA H 1 3.761 0.000 . . . . . . . . . . 5263 1 756 . 1 1 134 134 SER N N 15 110.351 0.000 . . . . . . . . . . 5263 1 757 . 1 1 134 134 SER H H 1 7.967 0.001 . . . . . . . . . . 5263 1 758 . 1 1 134 134 SER CA C 13 60.670 0.000 . . . . . . . . . . 5263 1 759 . 1 1 134 134 SER CB C 13 62.126 0.000 . . . . . . . . . . 5263 1 760 . 1 1 138 138 LYS N N 15 126.759 0.000 . . . . . . . . . . 5263 1 761 . 1 1 138 138 LYS H H 1 9.002 0.004 . . . . . . . . . . 5263 1 762 . 1 1 138 138 LYS CA C 13 55.465 0.125 . . . . . . . . . . 5263 1 763 . 1 1 138 138 LYS CB C 13 35.647 0.000 . . . . . . . . . . 5263 1 764 . 1 1 139 139 THR N N 15 111.992 0.000 . . . . . . . . . . 5263 1 765 . 1 1 139 139 THR H H 1 9.344 0.000 . . . . . . . . . . 5263 1 766 . 1 1 139 139 THR CA C 13 61.704 0.094 . . . . . . . . . . 5263 1 767 . 1 1 139 139 THR CB C 13 70.422 0.016 . . . . . . . . . . 5263 1 768 . 1 1 140 140 LYS N N 15 124.872 0.142 . . . . . . . . . . 5263 1 769 . 1 1 140 140 LYS H H 1 8.461 0.017 . . . . . . . . . . 5263 1 770 . 1 1 140 140 LYS CA C 13 59.333 0.051 . . . . . . . . . . 5263 1 771 . 1 1 140 140 LYS CB C 13 31.740 0.090 . . . . . . . . . . 5263 1 772 . 1 1 140 140 LYS HA H 1 3.924 0.000 . . . . . . . . . . 5263 1 773 . 1 1 141 141 ASP N N 15 112.648 0.000 . . . . . . . . . . 5263 1 774 . 1 1 141 141 ASP H H 1 8.933 0.000 . . . . . . . . . . 5263 1 775 . 1 1 141 141 ASP HA H 1 4.493 0.000 . . . . . . . . . . 5263 1 776 . 1 1 141 141 ASP HB2 H 1 2.799 0.000 . . . . . . . . . . 5263 1 777 . 1 1 141 141 ASP HB3 H 1 2.414 0.000 . . . . . . . . . . 5263 1 778 . 1 1 141 141 ASP CA C 13 52.139 0.085 . . . . . . . . . . 5263 1 779 . 1 1 141 141 ASP CB C 13 37.908 0.000 . . . . . . . . . . 5263 1 780 . 1 1 142 142 GLY N N 15 108.382 0.000 . . . . . . . . . . 5263 1 781 . 1 1 142 142 GLY H H 1 7.908 0.000 . . . . . . . . . . 5263 1 782 . 1 1 142 142 GLY HA2 H 1 3.918 0.004 . . . . . . . . . . 5263 1 783 . 1 1 142 142 GLY HA3 H 1 3.444 0.000 . . . . . . . . . . 5263 1 784 . 1 1 142 142 GLY CA C 13 46.732 0.112 . . . . . . . . . . 5263 1 785 . 1 1 143 143 LEU N N 15 118.883 0.000 . . . . . . . . . . 5263 1 786 . 1 1 143 143 LEU H H 1 7.866 0.000 . . . . . . . . . . 5263 1 787 . 1 1 143 143 LEU CA C 13 52.417 0.000 . . . . . . . . . . 5263 1 788 . 1 1 143 143 LEU CB C 13 43.793 0.000 . . . . . . . . . . 5263 1 789 . 1 1 143 143 LEU HA H 1 4.683 0.002 . . . . . . . . . . 5263 1 790 . 1 1 143 143 LEU HB2 H 1 1.691 0.000 . . . . . . . . . . 5263 1 791 . 1 1 143 143 LEU HB3 H 1 1.232 0.224 . . . . . . . . . . 5263 1 792 . 1 1 143 143 LEU HG H 1 0.404 0.003 . . . . . . . . . . 5263 1 793 . 1 1 143 143 LEU HD11 H 1 -0.177 0.003 . 1 . . . . . . . . 5263 1 794 . 1 1 143 143 LEU HD12 H 1 -0.177 0.003 . 1 . . . . . . . . 5263 1 795 . 1 1 143 143 LEU HD13 H 1 -0.177 0.003 . 1 . . . . . . . . 5263 1 796 . 1 1 144 144 TYR N N 15 117.571 0.000 . . . . . . . . . . 5263 1 797 . 1 1 144 144 TYR H H 1 8.599 0.000 . . . . . . . . . . 5263 1 798 . 1 1 144 144 TYR CA C 13 57.992 0.000 . . . . . . . . . . 5263 1 799 . 1 1 144 144 TYR CB C 13 39.784 0.101 . . . . . . . . . . 5263 1 800 . 1 1 144 144 TYR HA H 1 5.178 0.002 . . . . . . . . . . 5263 1 801 . 1 1 145 145 HIS N N 15 125.118 0.000 . . . . . . . . . . 5263 1 802 . 1 1 145 145 HIS H H 1 8.963 0.000 . . . . . . . . . . 5263 1 803 . 1 1 145 145 HIS CA C 13 53.498 0.000 . . . . . . . . . . 5263 1 804 . 1 1 145 145 HIS CB C 13 35.170 0.076 . . . . . . . . . . 5263 1 805 . 1 1 145 145 HIS HA H 1 5.871 0.000 . . . . . . . . . . 5263 1 806 . 1 1 145 145 HIS HD2 H 1 6.214 0.000 . . . . . . . . . . 5263 1 807 . 1 1 145 145 HIS HE1 H 1 6.467 0.000 . . . . . . . . . . 5263 1 808 . 1 1 146 146 PHE N N 15 127.415 0.000 . . . . . . . . . . 5263 1 809 . 1 1 146 146 PHE H H 1 9.464 0.000 . . . . . . . . . . 5263 1 810 . 1 1 146 146 PHE CA C 13 56.400 0.032 . . . . . . . . . . 5263 1 811 . 1 1 146 146 PHE CB C 13 41.244 0.023 . . . . . . . . . . 5263 1 812 . 1 1 146 146 PHE HA H 1 4.307 0.000 . . . . . . . . . . 5263 1 813 . 1 1 147 147 GLN N N 15 124.790 0.000 . . . . . . . . . . 5263 1 814 . 1 1 147 147 GLN H H 1 8.399 0.003 . . . . . . . . . . 5263 1 815 . 1 1 147 147 GLN CA C 13 55.285 0.000 . . . . . . . . . . 5263 1 816 . 1 1 147 147 GLN CB C 13 29.862 0.000 . . . . . . . . . . 5263 1 817 . 1 1 147 147 GLN HA H 1 4.952 0.000 . . . . . . . . . . 5263 1 818 . 1 1 147 147 GLN HB2 H 1 1.890 0.000 . . . . . . . . . . 5263 1 819 . 1 1 147 147 GLN HB3 H 1 1.789 0.003 . . . . . . . . . . 5263 1 820 . 1 1 150 150 TYR N N 15 112.320 0.000 . . . . . . . . . . 5263 1 821 . 1 1 150 150 TYR H H 1 8.464 0.000 . . . . . . . . . . 5263 1 822 . 1 1 150 150 TYR CA C 13 57.188 0.000 . . . . . . . . . . 5263 1 823 . 1 1 150 150 TYR CB C 13 34.732 0.000 . . . . . . . . . . 5263 1 824 . 1 1 151 151 ASP N N 15 112.320 0.000 . . . . . . . . . . 5263 1 825 . 1 1 151 151 ASP H H 1 8.464 0.000 . . . . . . . . . . 5263 1 826 . 1 1 151 151 ASP CA C 13 55.593 0.066 . . . . . . . . . . 5263 1 827 . 1 1 151 151 ASP CB C 13 42.162 0.077 . . . . . . . . . . 5263 1 828 . 1 1 152 152 LEU N N 15 121.508 0.000 . . . . . . . . . . 5263 1 829 . 1 1 152 152 LEU H H 1 8.185 0.001 . . . . . . . . . . 5263 1 830 . 1 1 152 152 LEU CA C 13 51.183 6.979 . . . . . . . . . . 5263 1 831 . 1 1 152 152 LEU CB C 13 40.774 0.000 . . . . . . . . . . 5263 1 832 . 1 1 153 153 ASP N N 15 129.712 0.000 . . . . . . . . . . 5263 1 833 . 1 1 153 153 ASP H H 1 7.996 0.001 . . . . . . . . . . 5263 1 834 . 1 1 153 153 ASP CA C 13 53.678 0.021 . . . . . . . . . . 5263 1 835 . 1 1 153 153 ASP CB C 13 42.603 0.004 . . . . . . . . . . 5263 1 836 . 1 1 154 154 LYS N N 15 122.493 0.000 . . . . . . . . . . 5263 1 837 . 1 1 154 154 LYS H H 1 9.071 0.000 . . . . . . . . . . 5263 1 838 . 1 1 154 154 LYS CA C 13 57.898 0.000 . . . . . . . . . . 5263 1 839 . 1 1 155 155 VAL CA C 13 61.396 0.000 . . . . . . . . . . 5263 1 840 . 1 1 155 155 VAL CB C 13 34.680 0.000 . . . . . . . . . . 5263 1 841 . 1 1 156 156 ASN N N 15 122.821 0.000 . . . . . . . . . . 5263 1 842 . 1 1 156 156 ASN H H 1 8.487 0.003 . . . . . . . . . . 5263 1 843 . 1 1 156 156 ASN HA H 1 4.710 0.000 . . . . . . . . . . 5263 1 844 . 1 1 156 156 ASN HB2 H 1 3.141 0.000 . . . . . . . . . . 5263 1 845 . 1 1 156 156 ASN HB3 H 1 2.953 0.005 . . . . . . . . . . 5263 1 846 . 1 1 156 156 ASN CA C 13 53.565 0.000 . . . . . . . . . . 5263 1 847 . 1 1 156 156 ASN CB C 13 39.275 0.026 . . . . . . . . . . 5263 1 848 . 1 1 157 157 ASP N N 15 115.601 0.000 . . . . . . . . . . 5263 1 849 . 1 1 157 157 ASP H H 1 9.218 0.000 . . . . . . . . . . 5263 1 850 . 1 1 157 157 ASP HA H 1 4.398 0.002 . . . . . . . . . . 5263 1 851 . 1 1 157 157 ASP HB2 H 1 3.087 0.005 . . . . . . . . . . 5263 1 852 . 1 1 157 157 ASP HB3 H 1 2.946 0.000 . . . . . . . . . . 5263 1 853 . 1 1 157 157 ASP CA C 13 55.801 0.000 . . . . . . . . . . 5263 1 854 . 1 1 157 157 ASP CB C 13 39.710 0.000 . . . . . . . . . . 5263 1 855 . 1 1 158 158 GLY N N 15 107.068 0.000 . . . . . . . . . . 5263 1 856 . 1 1 158 158 GLY H H 1 8.894 0.000 . . . . . . . . . . 5263 1 857 . 1 1 158 158 GLY HA2 H 1 3.983 0.000 . . . . . . . . . . 5263 1 858 . 1 1 158 158 GLY HA3 H 1 3.766 0.000 . . . . . . . . . . 5263 1 859 . 1 1 158 158 GLY CA C 13 46.041 0.010 . . . . . . . . . . 5263 1 860 . 1 1 159 159 LYS N N 15 120.196 0.000 . . . . . . . . . . 5263 1 861 . 1 1 159 159 LYS H H 1 7.008 0.000 . . . . . . . . . . 5263 1 862 . 1 1 159 159 LYS CA C 13 56.841 0.000 . . . . . . . . . . 5263 1 863 . 1 1 159 159 LYS CB C 13 33.848 0.006 . . . . . . . . . . 5263 1 864 . 1 1 159 159 LYS HA H 1 4.753 0.000 . . . . . . . . . . 5263 1 865 . 1 1 160 160 VAL N N 15 120.852 0.000 . . . . . . . . . . 5263 1 866 . 1 1 160 160 VAL H H 1 7.811 0.000 . . . . . . . . . . 5263 1 867 . 1 1 160 160 VAL CA C 13 61.643 0.033 . . . . . . . . . . 5263 1 868 . 1 1 160 160 VAL CB C 13 34.253 0.051 . . . . . . . . . . 5263 1 869 . 1 1 160 160 VAL HA H 1 4.016 0.000 . . . . . . . . . . 5263 1 870 . 1 1 160 160 VAL HB H 1 1.992 0.000 . . . . . . . . . . 5263 1 871 . 1 1 161 161 LEU N N 15 127.087 0.000 . . . . . . . . . . 5263 1 872 . 1 1 161 161 LEU H H 1 9.175 0.000 . . . . . . . . . . 5263 1 873 . 1 1 161 161 LEU CA C 13 52.489 0.013 . . . . . . . . . . 5263 1 874 . 1 1 161 161 LEU CB C 13 39.978 0.236 . . . . . . . . . . 5263 1 875 . 1 1 162 162 ALA N N 15 128.072 0.000 . . . . . . . . . . 5263 1 876 . 1 1 162 162 ALA H H 1 8.163 0.000 . . . . . . . . . . 5263 1 877 . 1 1 162 162 ALA CA C 13 50.810 0.133 . . . . . . . . . . 5263 1 878 . 1 1 162 162 ALA CB C 13 19.547 0.147 . . . . . . . . . . 5263 1 879 . 1 1 163 163 ALA N N 15 124.134 0.017 . . . . . . . . . . 5263 1 880 . 1 1 163 163 ALA H H 1 8.680 0.001 . . . . . . . . . . 5263 1 881 . 1 1 163 163 ALA CA C 13 54.993 0.048 . . . . . . . . . . 5263 1 882 . 1 1 163 163 ALA CB C 13 19.099 0.036 . . . . . . . . . . 5263 1 883 . 1 1 163 163 ALA HA H 1 4.730 0.004 . . . . . . . . . . 5263 1 884 . 1 1 163 163 ALA HB1 H 1 1.172 0.003 . 1 . . . . . . . . 5263 1 885 . 1 1 163 163 ALA HB2 H 1 1.172 0.003 . 1 . . . . . . . . 5263 1 886 . 1 1 163 163 ALA HB3 H 1 1.172 0.003 . 1 . . . . . . . . 5263 1 887 . 1 1 164 164 ASP N N 15 109.038 0.000 . . . . . . . . . . 5263 1 888 . 1 1 164 164 ASP H H 1 7.938 0.000 . . . . . . . . . . 5263 1 889 . 1 1 164 164 ASP CA C 13 51.717 0.000 . . . . . . . . . . 5263 1 890 . 1 1 164 164 ASP CB C 13 40.442 0.030 . . . . . . . . . . 5263 1 891 . 1 1 164 164 ASP HA H 1 4.502 0.007 . . . . . . . . . . 5263 1 892 . 1 1 164 164 ASP HB2 H 1 2.824 0.005 . . . . . . . . . . 5263 1 893 . 1 1 164 164 ASP HB3 H 1 2.459 0.000 . . . . . . . . . . 5263 1 894 . 1 1 165 165 THR N N 15 119.211 0.000 . . . . . . . . . . 5263 1 895 . 1 1 165 165 THR H H 1 7.277 0.000 . . . . . . . . . . 5263 1 896 . 1 1 165 165 THR CA C 13 63.801 0.000 . . . . . . . . . . 5263 1 897 . 1 1 165 165 THR CB C 13 68.191 0.089 . . . . . . . . . . 5263 1 898 . 1 1 165 165 THR HA H 1 3.872 0.000 . . . . . . . . . . 5263 1 899 . 1 1 165 165 THR HB H 1 3.782 0.002 . . . . . . . . . . 5263 1 900 . 1 1 165 165 THR HG21 H 1 1.460 0.000 . 1 . . . . . . . . 5263 1 901 . 1 1 165 165 THR HG22 H 1 1.460 0.000 . 1 . . . . . . . . 5263 1 902 . 1 1 165 165 THR HG23 H 1 1.460 0.000 . 1 . . . . . . . . 5263 1 903 . 1 1 166 166 VAL HA H 1 3.588 0.001 . . . . . . . . . . 5263 1 904 . 1 1 166 166 VAL HB H 1 1.855 0.001 . . . . . . . . . . 5263 1 905 . 1 1 166 166 VAL HG11 H 1 0.870 0.005 . 1 . . . . . . . . 5263 1 906 . 1 1 166 166 VAL HG12 H 1 0.870 0.005 . 1 . . . . . . . . 5263 1 907 . 1 1 166 166 VAL HG13 H 1 0.870 0.005 . 1 . . . . . . . . 5263 1 908 . 1 1 166 166 VAL HG21 H 1 0.645 0.001 . 1 . . . . . . . . 5263 1 909 . 1 1 166 166 VAL HG22 H 1 0.645 0.001 . 1 . . . . . . . . 5263 1 910 . 1 1 166 166 VAL HG23 H 1 0.645 0.001 . 1 . . . . . . . . 5263 1 911 . 1 1 166 166 VAL N N 15 130.697 0.000 . . . . . . . . . . 5263 1 912 . 1 1 166 166 VAL H H 1 8.639 0.000 . . . . . . . . . . 5263 1 913 . 1 1 166 166 VAL CA C 13 64.499 0.000 . . . . . . . . . . 5263 1 914 . 1 1 166 166 VAL CB C 13 30.901 0.000 . . . . . . . . . . 5263 1 915 . 1 1 167 167 LEU N N 15 129.384 0.000 . . . . . . . . . . 5263 1 916 . 1 1 167 167 LEU H H 1 9.481 0.000 . . . . . . . . . . 5263 1 917 . 1 1 167 167 LEU CA C 13 52.020 0.089 . . . . . . . . . . 5263 1 918 . 1 1 167 167 LEU CB C 13 39.442 0.066 . . . . . . . . . . 5263 1 919 . 1 1 167 167 LEU HA H 1 4.087 0.000 . . . . . . . . . . 5263 1 920 . 1 1 167 167 LEU HG H 1 0.856 0.000 . . . . . . . . . . 5263 1 921 . 1 1 167 167 LEU HD11 H 1 0.356 0.005 . 1 . . . . . . . . 5263 1 922 . 1 1 167 167 LEU HD12 H 1 0.356 0.005 . 1 . . . . . . . . 5263 1 923 . 1 1 167 167 LEU HD13 H 1 0.356 0.005 . 1 . . . . . . . . 5263 1 924 . 1 1 167 167 LEU HD21 H 1 0.269 0.004 . 1 . . . . . . . . 5263 1 925 . 1 1 167 167 LEU HD22 H 1 0.269 0.004 . 1 . . . . . . . . 5263 1 926 . 1 1 167 167 LEU HD23 H 1 0.269 0.004 . 1 . . . . . . . . 5263 1 927 . 1 1 168 168 ARG N N 15 124.790 0.000 . . . . . . . . . . 5263 1 928 . 1 1 168 168 ARG H H 1 7.898 0.012 . . . . . . . . . . 5263 1 929 . 1 1 168 168 ARG CA C 13 61.115 0.026 . . . . . . . . . . 5263 1 930 . 1 1 168 168 ARG CB C 13 31.384 0.013 . . . . . . . . . . 5263 1 931 . 1 1 168 168 ARG HA H 1 4.924 0.785 . . . . . . . . . . 5263 1 932 . 1 1 169 169 ASP N N 15 109.038 0.000 . . . . . . . . . . 5263 1 933 . 1 1 169 169 ASP H H 1 6.618 0.000 . . . . . . . . . . 5263 1 934 . 1 1 169 169 ASP CA C 13 50.641 0.021 . . . . . . . . . . 5263 1 935 . 1 1 169 169 ASP CB C 13 45.283 0.014 . . . . . . . . . . 5263 1 936 . 1 1 169 169 ASP HA H 1 4.821 0.000 . . . . . . . . . . 5263 1 937 . 1 1 170 170 ILE N N 15 119.868 0.000 . . . . . . . . . . 5263 1 938 . 1 1 170 170 ILE H H 1 7.675 0.000 . . . . . . . . . . 5263 1 939 . 1 1 170 170 ILE CA C 13 61.278 0.000 . . . . . . . . . . 5263 1 940 . 1 1 170 170 ILE CB C 13 41.425 0.000 . . . . . . . . . . 5263 1 941 . 1 1 170 170 ILE HA H 1 3.730 0.000 . . . . . . . . . . 5263 1 942 . 1 1 170 170 ILE HB H 1 1.422 0.000 . . . . . . . . . . 5263 1 943 . 1 1 170 170 ILE HG21 H 1 0.664 0.233 . 1 . . . . . . . . 5263 1 944 . 1 1 170 170 ILE HG22 H 1 0.664 0.233 . 1 . . . . . . . . 5263 1 945 . 1 1 170 170 ILE HG23 H 1 0.664 0.233 . 1 . . . . . . . . 5263 1 946 . 1 1 170 170 ILE HD11 H 1 -1.743 0.008 . 1 . . . . . . . . 5263 1 947 . 1 1 170 170 ILE HD12 H 1 -1.743 0.008 . 1 . . . . . . . . 5263 1 948 . 1 1 170 170 ILE HD13 H 1 -1.743 0.008 . 1 . . . . . . . . 5263 1 949 . 1 1 171 171 THR N N 15 124.134 0.000 . . . . . . . . . . 5263 1 950 . 1 1 171 171 THR H H 1 9.001 0.000 . . . . . . . . . . 5263 1 951 . 1 1 171 171 THR CA C 13 61.698 0.043 . . . . . . . . . . 5263 1 952 . 1 1 171 171 THR CB C 13 71.283 0.043 . . . . . . . . . . 5263 1 953 . 1 1 171 171 THR HA H 1 5.163 0.000 . . . . . . . . . . 5263 1 954 . 1 1 171 171 THR HB H 1 4.350 0.000 . . . . . . . . . . 5263 1 955 . 1 1 171 171 THR HG21 H 1 0.758 0.005 . 1 . . . . . . . . 5263 1 956 . 1 1 171 171 THR HG22 H 1 0.758 0.005 . 1 . . . . . . . . 5263 1 957 . 1 1 171 171 THR HG23 H 1 0.758 0.005 . 1 . . . . . . . . 5263 1 958 . 1 1 172 172 ILE N N 15 127.087 0.000 . . . . . . . . . . 5263 1 959 . 1 1 172 172 ILE H H 1 9.007 0.003 . . . . . . . . . . 5263 1 960 . 1 1 172 172 ILE CA C 13 60.809 0.000 . . . . . . . . . . 5263 1 961 . 1 1 172 172 ILE CB C 13 40.961 0.000 . . . . . . . . . . 5263 1 962 . 1 1 172 172 ILE HA H 1 3.539 0.009 . . . . . . . . . . 5263 1 963 . 1 1 172 172 ILE HG21 H 1 0.416 0.000 . 1 . . . . . . . . 5263 1 964 . 1 1 172 172 ILE HG22 H 1 0.416 0.000 . 1 . . . . . . . . 5263 1 965 . 1 1 172 172 ILE HG23 H 1 0.416 0.000 . 1 . . . . . . . . 5263 1 966 . 1 1 172 172 ILE HD11 H 1 -0.171 0.000 . 1 . . . . . . . . 5263 1 967 . 1 1 172 172 ILE HD12 H 1 -0.171 0.000 . 1 . . . . . . . . 5263 1 968 . 1 1 172 172 ILE HD13 H 1 -0.171 0.000 . 1 . . . . . . . . 5263 1 969 . 1 1 173 173 VAL N N 15 124.297 0.000 . . . . . . . . . . 5263 1 970 . 1 1 173 173 VAL H H 1 8.460 0.002 . . . . . . . . . . 5263 1 971 . 1 1 173 173 VAL HA H 1 4.811 0.001 . . . . . . . . . . 5263 1 972 . 1 1 174 174 VAL CA C 13 61.339 0.000 . . . . . . . . . . 5263 1 973 . 1 1 174 174 VAL CB C 13 29.710 0.000 . . . . . . . . . . 5263 1 974 . 1 1 174 174 VAL N N 15 127.00 0.000 . . . . . . . . . . 5263 1 975 . 1 1 174 174 VAL H H 1 8.065 0.001 . . . . . . . . . . 5263 1 976 . 1 1 174 174 VAL HA H 1 4.338 0.000 . . . . . . . . . . 5263 1 977 . 1 1 175 175 ALA N N 15 131.681 0.000 . . . . . . . . . . 5263 1 978 . 1 1 175 175 ALA H H 1 8.603 0.000 . . . . . . . . . . 5263 1 979 . 1 1 175 175 ALA CA C 13 51.710 0.104 . . . . . . . . . . 5263 1 980 . 1 1 175 175 ALA CB C 13 19.773 0.052 . . . . . . . . . . 5263 1 981 . 1 1 175 175 ALA HA H 1 4.475 0.000 . . . . . . . . . . 5263 1 982 . 1 1 175 175 ALA HB1 H 1 1.422 0.004 . 1 . . . . . . . . 5263 1 983 . 1 1 175 175 ALA HB2 H 1 1.422 0.004 . 1 . . . . . . . . 5263 1 984 . 1 1 175 175 ALA HB3 H 1 1.422 0.004 . 1 . . . . . . . . 5263 1 985 . 1 1 176 176 ASP N N 15 120.524 0.000 . . . . . . . . . . 5263 1 986 . 1 1 176 176 ASP H H 1 9.038 0.000 . . . . . . . . . . 5263 1 987 . 1 1 176 176 ASP CA C 13 53.484 0.000 . . . . . . . . . . 5263 1 988 . 1 1 176 176 ASP CB C 13 41.112 0.079 . . . . . . . . . . 5263 1 989 . 1 1 176 176 ASP HA H 1 3.961 0.003 . . . . . . . . . . 5263 1 990 . 1 1 177 177 GLY N N 15 121.837 0.000 . . . . . . . . . . 5263 1 991 . 1 1 177 177 GLY H H 1 8.523 0.000 . . . . . . . . . . 5263 1 992 . 1 1 177 177 GLY CA C 13 46.448 0.000 . . . . . . . . . . 5263 1 993 . 1 1 178 178 ASN N N 15 120.852 0.000 . . . . . . . . . . 5263 1 994 . 1 1 178 178 ASN H H 1 8.487 0.000 . . . . . . . . . . 5263 1 995 . 1 1 178 178 ASN CA C 13 54.053 0.081 . . . . . . . . . . 5263 1 996 . 1 1 178 178 ASN CB C 13 37.397 0.099 . . . . . . . . . . 5263 1 997 . 1 1 178 178 ASN ND2 N 15 111.336 0.000 . . . . . . . . . . 5263 1 998 . 1 1 178 178 ASN HD21 H 1 7.439 0.000 . . . . . . . . . . 5263 1 999 . 1 1 178 178 ASN HD22 H 1 6.753 0.001 . . . . . . . . . . 5263 1 1000 . 1 1 178 178 ASN HA H 1 4.114 0.001 . . . . . . . . . . 5263 1 1001 . 1 1 178 178 ASN HB2 H 1 2.954 0.000 . . . . . . . . . . 5263 1 1002 . 1 1 179 179 SER N N 15 118.227 0.000 . . . . . . . . . . 5263 1 1003 . 1 1 179 179 SER H H 1 9.385 0.008 . . . . . . . . . . 5263 1 1004 . 1 1 179 179 SER CA C 13 58.746 0.000 . . . . . . . . . . 5263 1 1005 . 1 1 179 179 SER CB C 13 67.251 0.000 . . . . . . . . . . 5263 1 1006 . 1 1 179 179 SER HA H 1 5.215 0.001 . . . . . . . . . . 5263 1 1007 . 1 1 179 179 SER HB2 H 1 4.232 0.001 . . . . . . . . . . 5263 1 1008 . 1 1 179 179 SER HB3 H 1 4.039 0.002 . . . . . . . . . . 5263 1 1009 . 1 1 180 180 ASP N N 15 119.211 0.000 . . . . . . . . . . 5263 1 1010 . 1 1 180 180 ASP H H 1 8.038 0.000 . . . . . . . . . . 5263 1 1011 . 1 1 180 180 ASP CA C 13 51.237 0.000 . . . . . . . . . . 5263 1 1012 . 1 1 180 180 ASP CB C 13 40.618 0.000 . . . . . . . . . . 5263 1 1013 . 1 1 180 180 ASP HA H 1 5.015 0.005 . . . . . . . . . . 5263 1 1014 . 1 1 180 180 ASP HB2 H 1 3.315 0.001 . . . . . . . . . . 5263 1 1015 . 1 1 180 180 ASP HB3 H 1 3.094 0.002 . . . . . . . . . . 5263 1 1016 . 1 1 181 181 PHE N N 15 117.242 0.000 . . . . . . . . . . 5263 1 1017 . 1 1 181 181 PHE H H 1 8.087 0.000 . . . . . . . . . . 5263 1 1018 . 1 1 181 181 PHE CA C 13 60.647 0.080 . . . . . . . . . . 5263 1 1019 . 1 1 181 181 PHE CB C 13 39.261 0.038 . . . . . . . . . . 5263 1 1020 . 1 1 181 181 PHE HA H 1 4.653 0.003 . . . . . . . . . . 5263 1 1021 . 1 1 181 181 PHE HZ H 1 43.623 52.172 . . . . . . . . . . 5263 1 1022 . 1 1 182 182 ALA N N 15 130.041 0.000 . . . . . . . . . . 5263 1 1023 . 1 1 182 182 ALA H H 1 8.162 0.002 . . . . . . . . . . 5263 1 1024 . 1 1 182 182 ALA HA H 1 5.070 0.000 . . . . . . . . . . 5263 1 1025 . 1 1 182 182 ALA HB1 H 1 1.309 0.000 . 1 . . . . . . . . 5263 1 1026 . 1 1 182 182 ALA HB2 H 1 1.309 0.000 . 1 . . . . . . . . 5263 1 1027 . 1 1 182 182 ALA HB3 H 1 1.309 0.000 . 1 . . . . . . . . 5263 1 1028 . 1 1 182 182 ALA CA C 13 50.881 0.000 . . . . . . . . . . 5263 1 1029 . 1 1 182 182 ALA CB C 13 21.887 0.059 . . . . . . . . . . 5263 1 1030 . 1 1 183 183 GLY N N 15 109.586 0.155 . . . . . . . . . . 5263 1 1031 . 1 1 183 183 GLY H H 1 8.608 0.000 . . . . . . . . . . 5263 1 1032 . 1 1 183 183 GLY CA C 13 45.500 0.106 . . . . . . . . . . 5263 1 1033 . 1 1 183 183 GLY HA2 H 1 4.554 0.004 . . . . . . . . . . 5263 1 1034 . 1 1 183 183 GLY HA3 H 1 4.023 0.002 . . . . . . . . . . 5263 1 1035 . 1 1 184 184 THR N N 15 118.227 0.000 . . . . . . . . . . 5263 1 1036 . 1 1 184 184 THR H H 1 8.021 0.000 . . . . . . . . . . 5263 1 1037 . 1 1 184 184 THR CA C 13 61.607 0.074 . . . . . . . . . . 5263 1 1038 . 1 1 184 184 THR CB C 13 69.889 0.036 . . . . . . . . . . 5263 1 1039 . 1 1 184 184 THR HA H 1 4.878 0.000 . . . . . . . . . . 5263 1 1040 . 1 1 184 184 THR HB H 1 3.704 0.000 . . . . . . . . . . 5263 1 1041 . 1 1 184 184 THR HG21 H 1 0.480 0.000 . 1 . . . . . . . . 5263 1 1042 . 1 1 184 184 THR HG22 H 1 0.480 0.000 . 1 . . . . . . . . 5263 1 1043 . 1 1 184 184 THR HG23 H 1 0.480 0.000 . 1 . . . . . . . . 5263 1 1044 . 1 1 185 185 MET N N 15 123.477 0.000 . . . . . . . . . . 5263 1 1045 . 1 1 185 185 MET H H 1 8.297 0.007 . . . . . . . . . . 5263 1 1046 . 1 1 185 185 MET CA C 13 53.920 0.000 . . . . . . . . . . 5263 1 1047 . 1 1 185 185 MET CB C 13 34.181 0.000 . . . . . . . . . . 5263 1 1048 . 1 1 185 185 MET HA H 1 4.759 0.000 . . . . . . . . . . 5263 1 1049 . 1 1 186 186 TYR N N 15 116.422 0.163 . . . . . . . . . . 5263 1 1050 . 1 1 186 186 TYR H H 1 7.729 0.000 . . . . . . . . . . 5263 1 1051 . 1 1 186 186 TYR HA H 1 5.335 0.005 . . . . . . . . . . 5263 1 1052 . 1 1 186 186 TYR CA C 13 54.431 0.000 . . . . . . . . . . 5263 1 1053 . 1 1 186 186 TYR CB C 13 40.954 0.059 . . . . . . . . . . 5263 1 1054 . 1 1 187 187 VAL N N 15 121.508 0.000 . . . . . . . . . . 5263 1 1055 . 1 1 187 187 VAL H H 1 8.683 0.000 . . . . . . . . . . 5263 1 1056 . 1 1 187 187 VAL CA C 13 60.676 0.000 . . . . . . . . . . 5263 1 1057 . 1 1 187 187 VAL CB C 13 35.163 0.038 . . . . . . . . . . 5263 1 1058 . 1 1 187 187 VAL HA H 1 5.114 0.000 . . . . . . . . . . 5263 1 1059 . 1 1 187 187 VAL HB H 1 1.294 0.000 . . . . . . . . . . 5263 1 1060 . 1 1 188 188 ASP N N 15 122.493 0.000 . . . . . . . . . . 5263 1 1061 . 1 1 188 188 ASP H H 1 9.291 0.000 . . . . . . . . . . 5263 1 1062 . 1 1 188 188 ASP CA C 13 50.922 0.040 . . . . . . . . . . 5263 1 1063 . 1 1 188 188 ASP CB C 13 45.655 0.103 . . . . . . . . . . 5263 1 1064 . 1 1 188 188 ASP HA H 1 5.526 0.000 . . . . . . . . . . 5263 1 1065 . 1 1 189 189 ASN N N 15 120.524 0.000 . . . . . . . . . . 5263 1 1066 . 1 1 189 189 ASN H H 1 9.187 0.005 . . . . . . . . . . 5263 1 1067 . 1 1 189 189 ASN CA C 13 54.609 0.053 . . . . . . . . . . 5263 1 1068 . 1 1 189 189 ASN CB C 13 37.374 0.095 . . . . . . . . . . 5263 1 1069 . 1 1 189 189 ASN ND2 N 15 112.976 0.000 . . . . . . . . . . 5263 1 1070 . 1 1 189 189 ASN HD21 H 1 6.815 0.000 . . . . . . . . . . 5263 1 1071 . 1 1 189 189 ASN HD22 H 1 7.161 0.002 . . . . . . . . . . 5263 1 1072 . 1 1 189 189 ASN HA H 1 4.247 0.000 . . . . . . . . . . 5263 1 1073 . 1 1 190 190 VAL N N 15 119.539 0.000 . . . . . . . . . . 5263 1 1074 . 1 1 190 190 VAL H H 1 8.302 0.000 . . . . . . . . . . 5263 1 1075 . 1 1 190 190 VAL CA C 13 62.700 0.000 . . . . . . . . . . 5263 1 1076 . 1 1 190 190 VAL CB C 13 30.660 0.344 . . . . . . . . . . 5263 1 1077 . 1 1 190 190 VAL HA H 1 3.670 0.000 . . . . . . . . . . 5263 1 1078 . 1 1 190 190 VAL HB H 1 2.255 0.000 . . . . . . . . . . 5263 1 1079 . 1 1 190 190 VAL HG11 H 1 1.022 0.000 . 1 . . . . . . . . 5263 1 1080 . 1 1 190 190 VAL HG12 H 1 1.022 0.000 . 1 . . . . . . . . 5263 1 1081 . 1 1 190 190 VAL HG13 H 1 1.022 0.000 . 1 . . . . . . . . 5263 1 1082 . 1 1 190 190 VAL HG21 H 1 0.625 0.000 . 1 . . . . . . . . 5263 1 1083 . 1 1 190 190 VAL HG22 H 1 0.625 0.000 . 1 . . . . . . . . 5263 1 1084 . 1 1 190 190 VAL HG23 H 1 0.625 0.000 . 1 . . . . . . . . 5263 1 1085 . 1 1 191 191 ARG N N 15 125.118 0.000 . . . . . . . . . . 5263 1 1086 . 1 1 191 191 ARG H H 1 9.405 0.000 . . . . . . . . . . 5263 1 1087 . 1 1 191 191 ARG CA C 13 55.072 0.024 . . . . . . . . . . 5263 1 1088 . 1 1 191 191 ARG CB C 13 32.419 0.090 . . . . . . . . . . 5263 1 1089 . 1 1 191 191 ARG HA H 1 4.839 0.064 . . . . . . . . . . 5263 1 1090 . 1 1 192 192 PHE N N 15 120.524 0.000 . . . . . . . . . . 5263 1 1091 . 1 1 192 192 PHE H H 1 9.015 0.002 . . . . . . . . . . 5263 1 1092 . 1 1 192 192 PHE CA C 13 57.536 0.068 . . . . . . . . . . 5263 1 1093 . 1 1 192 192 PHE CB C 13 40.985 0.186 . . . . . . . . . . 5263 1 1094 . 1 1 192 192 PHE HA H 1 5.726 0.002 . . . . . . . . . . 5263 1 1095 . 1 1 193 193 GLU N N 15 118.883 0.000 . . . . . . . . . . 5263 1 1096 . 1 1 193 193 GLU H H 1 9.226 0.000 . . . . . . . . . . 5263 1 1097 . 1 1 193 193 GLU CA C 13 55.754 0.050 . . . . . . . . . . 5263 1 1098 . 1 1 193 193 GLU CB C 13 34.143 0.000 . . . . . . . . . . 5263 1 1099 . 1 1 193 193 GLU HA H 1 4.875 0.000 . . . . . . . . . . 5263 1 1100 . 1 1 193 193 GLU HB2 H 1 2.155 0.004 . . . . . . . . . . 5263 1 1101 . 1 1 193 193 GLU HB3 H 1 2.031 0.002 . . . . . . . . . . 5263 1 1102 . 1 1 194 194 ASN N N 15 119.540 0.000 . . . . . . . . . . 5263 1 1103 . 1 1 194 194 ASN H H 1 8.697 0.000 . . . . . . . . . . 5263 1 1104 . 1 1 194 194 ASN CA C 13 52.224 0.000 . . . . . . . . . . 5263 1 1105 . 1 1 194 194 ASN CB C 13 41.475 0.060 . . . . . . . . . . 5263 1 1106 . 1 1 194 194 ASN ND2 N 15 114.289 0.000 . . . . . . . . . . 5263 1 1107 . 1 1 194 194 ASN HD21 H 1 7.045 0.000 . . . . . . . . . . 5263 1 1108 . 1 1 194 194 ASN HD22 H 1 7.701 0.000 . . . . . . . . . . 5263 1 1109 . 1 1 194 194 ASN HA H 1 5.383 0.006 . . . . . . . . . . 5263 1 1110 . 1 1 194 194 ASN HB2 H 1 3.043 0.000 . . . . . . . . . . 5263 1 1111 . 1 1 194 194 ASN HB3 H 1 2.891 0.000 . . . . . . . . . . 5263 1 1112 . 1 1 195 195 ASP N N 15 119.211 0.000 . . . . . . . . . . 5263 1 1113 . 1 1 195 195 ASP H H 1 8.561 0.000 . . . . . . . . . . 5263 1 1114 . 1 1 195 195 ASP CA C 13 54.659 0.000 . . . . . . . . . . 5263 1 1115 . 1 1 195 195 ASP CB C 13 41.580 0.036 . . . . . . . . . . 5263 1 1116 . 1 1 195 195 ASP HA H 1 4.713 0.006 . . . . . . . . . . 5263 1 1117 . 1 1 195 195 ASP HB2 H 1 2.712 0.000 . . . . . . . . . . 5263 1 1118 . 1 1 195 195 ASP HB3 H 1 2.613 0.004 . . . . . . . . . . 5263 1 1119 . 1 1 196 196 SER N N 15 116.258 0.000 . . . . . . . . . . 5263 1 1120 . 1 1 196 196 SER H H 1 8.411 0.000 . . . . . . . . . . 5263 1 1121 . 1 1 196 196 SER CA C 13 58.069 0.000 . . . . . . . . . . 5263 1 1122 . 1 1 196 196 SER CB C 13 63.772 0.069 . . . . . . . . . . 5263 1 1123 . 1 1 196 196 SER HA H 1 3.838 0.000 . . . . . . . . . . 5263 1 1124 . 1 1 197 197 LEU N N 15 124.462 0.000 . . . . . . . . . . 5263 1 1125 . 1 1 197 197 LEU H H 1 8.385 0.000 . . . . . . . . . . 5263 1 1126 . 1 1 197 197 LEU CA C 13 55.243 0.086 . . . . . . . . . . 5263 1 1127 . 1 1 197 197 LEU CB C 13 42.160 0.000 . . . . . . . . . . 5263 1 1128 . 1 1 197 197 LEU HA H 1 3.756 0.000 . . . . . . . . . . 5263 1 1129 . 1 1 197 197 LEU HG H 1 1.304 0.002 . . . . . . . . . . 5263 1 1130 . 1 1 197 197 LEU HD11 H 1 0.718 0.094 . 1 . . . . . . . . 5263 1 1131 . 1 1 197 197 LEU HD12 H 1 0.718 0.094 . 1 . . . . . . . . 5263 1 1132 . 1 1 197 197 LEU HD13 H 1 0.718 0.094 . 1 . . . . . . . . 5263 1 1133 . 1 1 197 197 LEU HD21 H 1 0.817 0.000 . 1 . . . . . . . . 5263 1 1134 . 1 1 197 197 LEU HD22 H 1 0.817 0.000 . 1 . . . . . . . . 5263 1 1135 . 1 1 197 197 LEU HD23 H 1 0.817 0.000 . 1 . . . . . . . . 5263 1 1136 . 1 1 198 198 GLU N N 15 126.759 0.000 . . . . . . . . . . 5263 1 1137 . 1 1 198 198 GLU H H 1 7.884 0.000 . . . . . . . . . . 5263 1 1138 . 1 1 198 198 GLU CA C 13 57.894 0.000 . . . . . . . . . . 5263 1 1139 . 1 1 198 198 GLU CB C 13 31.141 0.000 . . . . . . . . . . 5263 1 stop_ save_