data_51500 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 51500 _Entry.Title ; Miro2 N-terminal GTPase domain bound to GTP ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2022-06-21 _Entry.Accession_date 2022-06-21 _Entry.Last_release_date 2022-06-21 _Entry.Original_release_date 2022-06-21 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details 'Backbone NMR assignments of the N-terminal GTPase domain of Mitochondrial Rho GTPase 2 (Miro2) bound to GTP' _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Cassandra Smith . E. . . 51500 2 David Jones . N. . 0000-0002-7586-3543 51500 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'University of Colorado School of Medicine' . 51500 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 51500 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 643 51500 '15N chemical shifts' 169 51500 '1H chemical shifts' 169 51500 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 . . 2022-06-27 . original BMRB . 51500 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 51500 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID . _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Backbone Chemical Shift Assignment of the N-terminal GTPase domain of Miro2 bound to GTP ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Cassandra Smith . E. . . 51500 1 2 David Jones . N. . . 51500 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Miro2 Miro Mitochondria GTPase' 51500 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 51500 _Assembly.ID 1 _Assembly.Name 'N-terminal GTPase Domain' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands 1 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 22218.23 _Assembly.Enzyme_commission_number 3.6.5.- _Assembly.Details 'N-terminal GTPase domain of Miro2 (residues 1-180)' _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 Protein 1 $entity_1 . . yes native no no . 'Nucleotide binding domain' 'GTP is bound with high affinity - no significant evidence of exchange' 51500 1 2 Nucleotide 2 $entity_GTP . . no native no no . Nucleotide . 51500 1 stop_ loop_ _Assembly_interaction.ID _Assembly_interaction.Entity_assembly_ID_1 _Assembly_interaction.Entity_assembly_ID_2 _Assembly_interaction.Mol_interaction_type _Assembly_interaction.Entry_ID _Assembly_interaction.Assembly_ID 1 1 2 'Extremely slow exchange' 51500 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'Recruits co-factors to effect signaling' 51500 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 51500 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MGSSHHHHHHSSGLVPRGSH MRRDVRILLLGEAQVGKTSL ILSLVGEEFPEEVPPRAEEI TIPADVTPEKVPTHIVDYSE AEQTDEELREEIHKANVVCV VYDVSEEATIEKIRTKWIPL VNGGTTQGPRVPIILVGNKS DLRSGSSMEAVLPIMSQFPE IETCVECSAKNLRNISELFY YAQKAVLHPTAPLYDPEAKQ ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details ; Residues 1-20 represent the non-native affinity tag for purification. The remainder represent the first residues 1-180 of the native protein. ; _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 200 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment 'N-terminal GTPase domain' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 22218.23 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 yes Uniprot Q8IXI1 . 'Mitochondrial Rho GTPase 2 (Gene RHOT2)' . . . . . . . . . . . . . . 51500 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'molecular trafficking' 51500 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 . 51500 1 2 . GLY . 51500 1 3 . SER . 51500 1 4 . SER . 51500 1 5 . HIS . 51500 1 6 . HIS . 51500 1 7 . HIS . 51500 1 8 . HIS . 51500 1 9 . HIS . 51500 1 10 . HIS . 51500 1 11 . SER . 51500 1 12 . SER . 51500 1 13 . GLY . 51500 1 14 . LEU . 51500 1 15 . VAL . 51500 1 16 . PRO . 51500 1 17 . ARG . 51500 1 18 . GLY . 51500 1 19 . SER . 51500 1 20 . HIS . 51500 1 21 . MET . 51500 1 22 . ARG . 51500 1 23 . ARG . 51500 1 24 . ASP . 51500 1 25 . VAL . 51500 1 26 . ARG . 51500 1 27 . ILE . 51500 1 28 . LEU . 51500 1 29 . LEU . 51500 1 30 . LEU . 51500 1 31 . GLY . 51500 1 32 . GLU . 51500 1 33 . ALA . 51500 1 34 . GLN . 51500 1 35 . VAL . 51500 1 36 . GLY . 51500 1 37 . LYS . 51500 1 38 . THR . 51500 1 39 . SER . 51500 1 40 . LEU . 51500 1 41 . ILE . 51500 1 42 . LEU . 51500 1 43 . SER . 51500 1 44 . LEU . 51500 1 45 . VAL . 51500 1 46 . GLY . 51500 1 47 . GLU . 51500 1 48 . GLU . 51500 1 49 . PHE . 51500 1 50 . PRO . 51500 1 51 . GLU . 51500 1 52 . GLU . 51500 1 53 . VAL . 51500 1 54 . PRO . 51500 1 55 . PRO . 51500 1 56 . ARG . 51500 1 57 . ALA . 51500 1 58 . GLU . 51500 1 59 . GLU . 51500 1 60 . ILE . 51500 1 61 . THR . 51500 1 62 . ILE . 51500 1 63 . PRO . 51500 1 64 . ALA . 51500 1 65 . ASP . 51500 1 66 . VAL . 51500 1 67 . THR . 51500 1 68 . PRO . 51500 1 69 . GLU . 51500 1 70 . LYS . 51500 1 71 . VAL . 51500 1 72 . PRO . 51500 1 73 . THR . 51500 1 74 . HIS . 51500 1 75 . ILE . 51500 1 76 . VAL . 51500 1 77 . ASP . 51500 1 78 . TYR . 51500 1 79 . SER . 51500 1 80 . GLU . 51500 1 81 . ALA . 51500 1 82 . GLU . 51500 1 83 . GLN . 51500 1 84 . THR . 51500 1 85 . ASP . 51500 1 86 . GLU . 51500 1 87 . GLU . 51500 1 88 . LEU . 51500 1 89 . ARG . 51500 1 90 . GLU . 51500 1 91 . GLU . 51500 1 92 . ILE . 51500 1 93 . HIS . 51500 1 94 . LYS . 51500 1 95 . ALA . 51500 1 96 . ASN . 51500 1 97 . VAL . 51500 1 98 . VAL . 51500 1 99 . CYS . 51500 1 100 . VAL . 51500 1 101 . VAL . 51500 1 102 . TYR . 51500 1 103 . ASP . 51500 1 104 . VAL . 51500 1 105 . SER . 51500 1 106 . GLU . 51500 1 107 . GLU . 51500 1 108 . ALA . 51500 1 109 . THR . 51500 1 110 . ILE . 51500 1 111 . GLU . 51500 1 112 . LYS . 51500 1 113 . ILE . 51500 1 114 . ARG . 51500 1 115 . THR . 51500 1 116 . LYS . 51500 1 117 . TRP . 51500 1 118 . ILE . 51500 1 119 . PRO . 51500 1 120 . LEU . 51500 1 121 . VAL . 51500 1 122 . ASN . 51500 1 123 . GLY . 51500 1 124 . GLY . 51500 1 125 . THR . 51500 1 126 . THR . 51500 1 127 . GLN . 51500 1 128 . GLY . 51500 1 129 . PRO . 51500 1 130 . ARG . 51500 1 131 . VAL . 51500 1 132 . PRO . 51500 1 133 . ILE . 51500 1 134 . ILE . 51500 1 135 . LEU . 51500 1 136 . VAL . 51500 1 137 . GLY . 51500 1 138 . ASN . 51500 1 139 . LYS . 51500 1 140 . SER . 51500 1 141 . ASP . 51500 1 142 . LEU . 51500 1 143 . ARG . 51500 1 144 . SER . 51500 1 145 . GLY . 51500 1 146 . SER . 51500 1 147 . SER . 51500 1 148 . MET . 51500 1 149 . GLU . 51500 1 150 . ALA . 51500 1 151 . VAL . 51500 1 152 . LEU . 51500 1 153 . PRO . 51500 1 154 . ILE . 51500 1 155 . MET . 51500 1 156 . SER . 51500 1 157 . GLN . 51500 1 158 . PHE . 51500 1 159 . PRO . 51500 1 160 . GLU . 51500 1 161 . ILE . 51500 1 162 . GLU . 51500 1 163 . THR . 51500 1 164 . CYS . 51500 1 165 . VAL . 51500 1 166 . GLU . 51500 1 167 . CYS . 51500 1 168 . SER . 51500 1 169 . ALA . 51500 1 170 . LYS . 51500 1 171 . ASN . 51500 1 172 . LEU . 51500 1 173 . ARG . 51500 1 174 . ASN . 51500 1 175 . ILE . 51500 1 176 . SER . 51500 1 177 . GLU . 51500 1 178 . LEU . 51500 1 179 . PHE . 51500 1 180 . TYR . 51500 1 181 . TYR . 51500 1 182 . ALA . 51500 1 183 . GLN . 51500 1 184 . LYS . 51500 1 185 . ALA . 51500 1 186 . VAL . 51500 1 187 . LEU . 51500 1 188 . HIS . 51500 1 189 . PRO . 51500 1 190 . THR . 51500 1 191 . ALA . 51500 1 192 . PRO . 51500 1 193 . LEU . 51500 1 194 . TYR . 51500 1 195 . ASP . 51500 1 196 . PRO . 51500 1 197 . GLU . 51500 1 198 . ALA . 51500 1 199 . LYS . 51500 1 200 . GLN . 51500 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 51500 1 . GLY 2 2 51500 1 . SER 3 3 51500 1 . SER 4 4 51500 1 . HIS 5 5 51500 1 . HIS 6 6 51500 1 . HIS 7 7 51500 1 . HIS 8 8 51500 1 . HIS 9 9 51500 1 . HIS 10 10 51500 1 . SER 11 11 51500 1 . SER 12 12 51500 1 . GLY 13 13 51500 1 . LEU 14 14 51500 1 . VAL 15 15 51500 1 . PRO 16 16 51500 1 . ARG 17 17 51500 1 . GLY 18 18 51500 1 . SER 19 19 51500 1 . HIS 20 20 51500 1 . MET 21 21 51500 1 . ARG 22 22 51500 1 . ARG 23 23 51500 1 . ASP 24 24 51500 1 . VAL 25 25 51500 1 . ARG 26 26 51500 1 . ILE 27 27 51500 1 . LEU 28 28 51500 1 . LEU 29 29 51500 1 . LEU 30 30 51500 1 . GLY 31 31 51500 1 . GLU 32 32 51500 1 . ALA 33 33 51500 1 . GLN 34 34 51500 1 . VAL 35 35 51500 1 . GLY 36 36 51500 1 . LYS 37 37 51500 1 . THR 38 38 51500 1 . SER 39 39 51500 1 . LEU 40 40 51500 1 . ILE 41 41 51500 1 . LEU 42 42 51500 1 . SER 43 43 51500 1 . LEU 44 44 51500 1 . VAL 45 45 51500 1 . GLY 46 46 51500 1 . GLU 47 47 51500 1 . GLU 48 48 51500 1 . PHE 49 49 51500 1 . PRO 50 50 51500 1 . GLU 51 51 51500 1 . GLU 52 52 51500 1 . VAL 53 53 51500 1 . PRO 54 54 51500 1 . PRO 55 55 51500 1 . ARG 56 56 51500 1 . ALA 57 57 51500 1 . GLU 58 58 51500 1 . GLU 59 59 51500 1 . ILE 60 60 51500 1 . THR 61 61 51500 1 . ILE 62 62 51500 1 . PRO 63 63 51500 1 . ALA 64 64 51500 1 . ASP 65 65 51500 1 . VAL 66 66 51500 1 . THR 67 67 51500 1 . PRO 68 68 51500 1 . GLU 69 69 51500 1 . LYS 70 70 51500 1 . VAL 71 71 51500 1 . PRO 72 72 51500 1 . THR 73 73 51500 1 . HIS 74 74 51500 1 . ILE 75 75 51500 1 . VAL 76 76 51500 1 . ASP 77 77 51500 1 . TYR 78 78 51500 1 . SER 79 79 51500 1 . GLU 80 80 51500 1 . ALA 81 81 51500 1 . GLU 82 82 51500 1 . GLN 83 83 51500 1 . THR 84 84 51500 1 . ASP 85 85 51500 1 . GLU 86 86 51500 1 . GLU 87 87 51500 1 . LEU 88 88 51500 1 . ARG 89 89 51500 1 . GLU 90 90 51500 1 . GLU 91 91 51500 1 . ILE 92 92 51500 1 . HIS 93 93 51500 1 . LYS 94 94 51500 1 . ALA 95 95 51500 1 . ASN 96 96 51500 1 . VAL 97 97 51500 1 . VAL 98 98 51500 1 . CYS 99 99 51500 1 . VAL 100 100 51500 1 . VAL 101 101 51500 1 . TYR 102 102 51500 1 . ASP 103 103 51500 1 . VAL 104 104 51500 1 . SER 105 105 51500 1 . GLU 106 106 51500 1 . GLU 107 107 51500 1 . ALA 108 108 51500 1 . THR 109 109 51500 1 . ILE 110 110 51500 1 . GLU 111 111 51500 1 . LYS 112 112 51500 1 . ILE 113 113 51500 1 . ARG 114 114 51500 1 . THR 115 115 51500 1 . LYS 116 116 51500 1 . TRP 117 117 51500 1 . ILE 118 118 51500 1 . PRO 119 119 51500 1 . LEU 120 120 51500 1 . VAL 121 121 51500 1 . ASN 122 122 51500 1 . GLY 123 123 51500 1 . GLY 124 124 51500 1 . THR 125 125 51500 1 . THR 126 126 51500 1 . GLN 127 127 51500 1 . GLY 128 128 51500 1 . PRO 129 129 51500 1 . ARG 130 130 51500 1 . VAL 131 131 51500 1 . PRO 132 132 51500 1 . ILE 133 133 51500 1 . ILE 134 134 51500 1 . LEU 135 135 51500 1 . VAL 136 136 51500 1 . GLY 137 137 51500 1 . ASN 138 138 51500 1 . LYS 139 139 51500 1 . SER 140 140 51500 1 . ASP 141 141 51500 1 . LEU 142 142 51500 1 . ARG 143 143 51500 1 . SER 144 144 51500 1 . GLY 145 145 51500 1 . SER 146 146 51500 1 . SER 147 147 51500 1 . MET 148 148 51500 1 . GLU 149 149 51500 1 . ALA 150 150 51500 1 . VAL 151 151 51500 1 . LEU 152 152 51500 1 . PRO 153 153 51500 1 . ILE 154 154 51500 1 . MET 155 155 51500 1 . SER 156 156 51500 1 . GLN 157 157 51500 1 . PHE 158 158 51500 1 . PRO 159 159 51500 1 . GLU 160 160 51500 1 . ILE 161 161 51500 1 . GLU 162 162 51500 1 . THR 163 163 51500 1 . CYS 164 164 51500 1 . VAL 165 165 51500 1 . GLU 166 166 51500 1 . CYS 167 167 51500 1 . SER 168 168 51500 1 . ALA 169 169 51500 1 . LYS 170 170 51500 1 . ASN 171 171 51500 1 . LEU 172 172 51500 1 . ARG 173 173 51500 1 . ASN 174 174 51500 1 . ILE 175 175 51500 1 . SER 176 176 51500 1 . GLU 177 177 51500 1 . LEU 178 178 51500 1 . PHE 179 179 51500 1 . TYR 180 180 51500 1 . TYR 181 181 51500 1 . ALA 182 182 51500 1 . GLN 183 183 51500 1 . LYS 184 184 51500 1 . ALA 185 185 51500 1 . VAL 186 186 51500 1 . LEU 187 187 51500 1 . HIS 188 188 51500 1 . PRO 189 189 51500 1 . THR 190 190 51500 1 . ALA 191 191 51500 1 . PRO 192 192 51500 1 . LEU 193 193 51500 1 . TYR 194 194 51500 1 . ASP 195 195 51500 1 . PRO 196 196 51500 1 . GLU 197 197 51500 1 . ALA 198 198 51500 1 . LYS 199 199 51500 1 . GLN 200 200 51500 1 stop_ save_ save_entity_GTP _Entity.Sf_category entity _Entity.Sf_framecode entity_GTP _Entity.Entry_ID 51500 _Entity.ID 2 _Entity.BMRB_code GTP _Entity.Name entity_GTP _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID GTP _Entity.Nonpolymer_comp_label $chem_comp_GTP _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 523.180 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID GUANOSINE-5'-TRIPHOSPHATE BMRB 51500 2 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID GUANOSINE-5'-TRIPHOSPHATE BMRB 51500 2 GTP 'Three letter code' 51500 2 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 GTP $chem_comp_GTP 51500 2 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 51500 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . RHOT2 . 51500 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 51500 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . plasmid . . pET28a . . . 51500 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_GTP _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_GTP _Chem_comp.Entry_ID 51500 _Chem_comp.ID GTP _Chem_comp.Provenance PDB _Chem_comp.Name GUANOSINE-5'-TRIPHOSPHATE _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code GTP _Chem_comp.PDB_code GTP _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2020-07-10 _Chem_comp.Modified_date 2020-07-10 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code G _Chem_comp.Three_letter_code GTP _Chem_comp.Number_atoms_all 48 _Chem_comp.Number_atoms_nh 32 _Chem_comp.Atom_nomenclature_source . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code ; InChI=1S/C10H16N5O14P3/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(27-9)1-26-31(22,23)29-32(24,25)28-30(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H,24,25)(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1 ; _Chem_comp.Mon_nstd_flag no _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID G _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula 'C10 H16 N5 O14 P3' _Chem_comp.Formula_weight 523.180 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details Corina _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code 1QRA _Chem_comp.Processing_site EBI _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID ; InChI=1S/C10H16N5O14P3/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(27-9)1-26-31(22,23)29-32(24,25)28-30(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H,24,25)(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1 ; InChI InChI 1.03 51500 GTP NC1=Nc2n(cnc2C(=O)N1)[C@@H]3O[C@H](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O SMILES_CANONICAL CACTVS 3.370 51500 GTP NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O SMILES CACTVS 3.370 51500 GTP O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c2N=C(N)NC1=O)C(O)C3O SMILES ACDLabs 12.01 51500 GTP XKMLYUALXHKNFT-UUOKFMHZSA-N InChIKey InChI 1.03 51500 GTP c1nc2c(n1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N SMILES 'OpenEye OEToolkits' 1.7.6 51500 GTP c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N SMILES_CANONICAL 'OpenEye OEToolkits' 1.7.6 51500 GTP stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID ; [[(2R,3S,4R,5R)-5-(2-azanyl-6-oxidanylidene-1H-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate ; 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.7.6 51500 GTP "guanosine 5'-(tetrahydrogen triphosphate)" 'SYSTEMATIC NAME' ACDLabs 12.01 51500 GTP stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID PG PG PG PG . P . . N 0 . . . 1 N N . . . . 4.566 . 31.391 . 21.635 . -6.030 -2.367 0.637 1 . 51500 GTP O1G O1G O1G O1G . O . . N 0 . . . 1 N N . . . . 4.613 . 31.907 . 23.069 . -7.326 -1.996 0.026 2 . 51500 GTP O2G O2G O2G O2G . O . . N 0 . . . 1 N N . . . . 3.892 . 32.319 . 20.631 . -6.285 -2.982 2.103 3 . 51500 GTP O3G O3G O3G O3G . O . . N 0 . . . 1 N N . . . . 4.143 . 30.012 . 21.613 . -5.296 -3.463 -0.286 4 . 51500 GTP O3B O3B O3B O3B . O . . N 0 . . . 1 N N . . . . 6.160 . 31.360 . 21.228 . -5.101 -1.058 0.758 5 . 51500 GTP PB PB PB PB . P . . N 0 . . . 1 N N . . . . 6.877 . 31.202 . 19.745 . -4.818 0.206 -0.199 6 . 51500 GTP O1B O1B O1B O1B . O . . N 0 . . . 1 N N . . . . 7.079 . 29.709 . 19.473 . -4.732 -0.250 -1.605 7 . 51500 GTP O2B O2B O2B O2B . O . . N 0 . . . 1 N N . . . . 6.125 . 31.970 . 18.749 . -6.017 1.269 -0.052 8 . 51500 GTP O3A O3A O3A O3A . O . . N 0 . . . 1 N N . . . . 8.251 . 31.890 . 20.003 . -3.429 0.900 0.226 9 . 51500 GTP PA PA PA PA . P . . N 0 . . . 1 N N . . . . 8.846 . 33.261 . 19.411 . -2.449 1.965 -0.479 10 . 51500 GTP O1A O1A O1A O1A . O . . N 0 . . . 1 N N . . . . 8.888 . 33.256 . 17.957 . -2.350 1.662 -1.925 11 . 51500 GTP O2A O2A O2A O2A . O . . N 0 . . . 1 N N . . . . 8.105 . 34.398 . 20.129 . -3.040 3.450 -0.282 12 . 51500 GTP O5' O5' O5' O5' . O . . N 0 . . . 1 N N . . . . 10.430 . 33.153 . 19.900 . -0.988 1.876 0.190 13 . 51500 GTP C5' C5' C5' C5' . C . . N 0 . . . 1 N N . . . . 10.549 . 33.044 . 21.378 . 0.134 2.622 -0.287 14 . 51500 GTP C4' C4' C4' C4' . C . . R 0 . . . 1 N N . . . . 12.046 . 33.618 . 21.474 . 1.360 2.304 0.570 15 . 51500 GTP O4' O4' O4' O4' . O . . N 0 . . . 1 N N . . . . 13.052 . 32.830 . 20.818 . 1.749 0.933 0.378 16 . 51500 GTP C3' C3' C3' C3' . C . . S 0 . . . 1 N N . . . . 12.307 . 34.969 . 21.057 . 2.548 3.182 0.132 17 . 51500 GTP O3' O3' O3' O3' . O . . N 0 . . . 1 N N . . . . 13.109 . 35.672 . 21.971 . 2.994 3.997 1.218 18 . 51500 GTP C2' C2' C2' C2' . C . . R 0 . . . 1 N N . . . . 12.839 . 34.971 . 19.593 . 3.645 2.166 -0.269 19 . 51500 GTP O2' O2' O2' O2' . O . . N 0 . . . 1 N N . . . . 13.672 . 35.961 . 19.355 . 4.929 2.593 0.190 20 . 51500 GTP C1' C1' C1' C1' . C . . R 0 . . . 1 N N . . . . 13.846 . 33.622 . 19.927 . 3.188 0.886 0.476 21 . 51500 GTP N9 N9 N9 N9 . N . . N 0 . . . 1 Y N . . . . 14.001 . 32.833 . 18.649 . 3.711 -0.311 -0.188 22 . 51500 GTP C8 C8 C8 C8 . C . . N 0 . . . 1 Y N . . . . 12.934 . 32.452 . 17.848 . 3.094 -1.021 -1.176 23 . 51500 GTP N7 N7 N7 N7 . N . . N 0 . . . 1 Y N . . . . 13.640 . 31.798 . 16.899 . 3.843 -2.023 -1.533 24 . 51500 GTP C5 C5 C5 C5 . C . . N 0 . . . 1 Y N . . . . 15.029 . 31.889 . 17.001 . 4.981 -2.017 -0.798 25 . 51500 GTP C6 C6 C6 C6 . C . . N 0 . . . 1 N N . . . . 15.899 . 31.394 . 16.238 . 6.129 -2.842 -0.753 26 . 51500 GTP O6 O6 O6 O6 . O . . N 0 . . . 1 N N . . . . 15.982 . 30.680 . 15.191 . 6.235 -3.807 -1.491 27 . 51500 GTP N1 N1 N1 N1 . N . . N 0 . . . 1 N N . . . . 17.274 . 31.628 . 16.800 . 7.106 -2.535 0.129 28 . 51500 GTP C2 C2 C2 C2 . C . . N 0 . . . 1 N N . . . . 17.304 . 32.295 . 17.896 . 6.978 -1.454 0.950 29 . 51500 GTP N2 N2 N2 N2 . N . . N 0 . . . 1 N N . . . . 18.677 . 32.450 . 18.475 . 7.986 -1.165 1.835 30 . 51500 GTP N3 N3 N3 N3 . N . . N 0 . . . 1 N N . . . . 16.384 . 32.736 . 18.739 . 5.916 -0.679 0.917 31 . 51500 GTP C4 C4 C4 C4 . C . . N 0 . . . 1 Y N . . . . 15.218 . 32.517 . 18.135 . 4.911 -0.918 0.066 32 . 51500 GTP HOG2 HOG2 HOG2 HOG2 . H . . N 0 . . . 0 N N . . . . 3.595 . 33.105 . 21.075 . -6.838 -3.775 2.106 33 . 51500 GTP HOG3 HOG3 HOG3 HOG3 . H . . N 0 . . . 0 N N . . . . 3.982 . 29.715 . 22.501 . -4.439 -3.753 0.055 34 . 51500 GTP HOB2 HOB2 HOB2 HOB2 . H . . N 0 . . . 0 N N . . . . 5.858 . 31.396 . 18.041 . -6.132 1.611 0.846 35 . 51500 GTP HOA2 HOA2 HOA2 HOA2 . H . . N 0 . . . 0 N N . . . . 7.743 . 34.996 . 19.486 . -3.133 3.717 0.643 36 . 51500 GTP H5' H5' H5' H5'1 . H . . N 0 . . . 1 N N . . . . 9.819 . 33.672 . 21.910 . 0.335 2.352 -1.324 37 . 51500 GTP H5'' H5'' H5'' H5'2 . H . . N 0 . . . 0 N N . . . . 10.469 . 32.007 . 21.735 . -0.086 3.688 -0.226 38 . 51500 GTP H4' H4' H4' H4' . H . . N 0 . . . 1 N N . . . . 12.283 . 33.581 . 22.548 . 1.133 2.480 1.621 39 . 51500 GTP H3' H3' H3' H3' . H . . N 0 . . . 1 N N . . . . 11.335 . 35.482 . 21.016 . 2.270 3.803 -0.720 40 . 51500 GTP HO3' HO3' HO3' HO3' . H . . N 0 . . . 0 N Y . . . . 13.253 . 36.555 . 21.653 . 3.741 4.571 0.998 41 . 51500 GTP H2' H2' H2' H2' . H . . N 0 . . . 1 N N . . . . 12.075 . 34.730 . 18.840 . 3.652 2.007 -1.347 42 . 51500 GTP HO2' HO2' HO2' HO2' . H . . N 0 . . . 0 N N . . . . 13.966 . 35.918 . 18.453 . 5.218 3.438 -0.180 43 . 51500 GTP H1' H1' H1' H1' . H . . N 0 . . . 1 N N . . . . 14.805 . 33.958 . 20.347 . 3.503 0.916 1.519 44 . 51500 GTP H8 H8 H8 H8 . H . . N 0 . . . 1 N N . . . . 11.873 . 32.624 . 17.951 . 2.128 -0.786 -1.599 45 . 51500 GTP HN1 HN1 HN1 HN1 . H . . N 0 . . . 1 N N . . . . 18.102 . 31.290 . 16.354 . 7.903 -3.086 0.179 46 . 51500 GTP HN21 HN21 HN21 HN21 . H . . N 0 . . . 0 N N . . . . 18.794 . 32.845 . 19.386 . 8.776 -1.728 1.870 47 . 51500 GTP HN22 HN22 HN22 HN22 . H . . N 0 . . . 0 N N . . . . 19.477 . 32.159 . 17.950 . 7.909 -0.399 2.425 48 . 51500 GTP stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . DOUB PG O1G N N 1 . 51500 GTP 2 . SING PG O2G N N 2 . 51500 GTP 3 . SING PG O3G N N 3 . 51500 GTP 4 . SING PG O3B N N 4 . 51500 GTP 5 . SING O2G HOG2 N N 5 . 51500 GTP 6 . SING O3G HOG3 N N 6 . 51500 GTP 7 . SING O3B PB N N 7 . 51500 GTP 8 . DOUB PB O1B N N 8 . 51500 GTP 9 . SING PB O2B N N 9 . 51500 GTP 10 . SING PB O3A N N 10 . 51500 GTP 11 . SING O2B HOB2 N N 11 . 51500 GTP 12 . SING O3A PA N N 12 . 51500 GTP 13 . DOUB PA O1A N N 13 . 51500 GTP 14 . SING PA O2A N N 14 . 51500 GTP 15 . SING PA O5' N N 15 . 51500 GTP 16 . SING O2A HOA2 N N 16 . 51500 GTP 17 . SING O5' C5' N N 17 . 51500 GTP 18 . SING C5' C4' N N 18 . 51500 GTP 19 . SING C5' H5' N N 19 . 51500 GTP 20 . SING C5' H5'' N N 20 . 51500 GTP 21 . SING C4' O4' N N 21 . 51500 GTP 22 . SING C4' C3' N N 22 . 51500 GTP 23 . SING C4' H4' N N 23 . 51500 GTP 24 . SING O4' C1' N N 24 . 51500 GTP 25 . SING C3' O3' N N 25 . 51500 GTP 26 . SING C3' C2' N N 26 . 51500 GTP 27 . SING C3' H3' N N 27 . 51500 GTP 28 . SING O3' HO3' N N 28 . 51500 GTP 29 . SING C2' O2' N N 29 . 51500 GTP 30 . SING C2' C1' N N 30 . 51500 GTP 31 . SING C2' H2' N N 31 . 51500 GTP 32 . SING O2' HO2' N N 32 . 51500 GTP 33 . SING C1' N9 N N 33 . 51500 GTP 34 . SING C1' H1' N N 34 . 51500 GTP 35 . SING N9 C8 Y N 35 . 51500 GTP 36 . SING N9 C4 Y N 36 . 51500 GTP 37 . DOUB C8 N7 Y N 37 . 51500 GTP 38 . SING C8 H8 N N 38 . 51500 GTP 39 . SING N7 C5 Y N 39 . 51500 GTP 40 . SING C5 C6 N N 40 . 51500 GTP 41 . DOUB C5 C4 Y N 41 . 51500 GTP 42 . DOUB C6 O6 N N 42 . 51500 GTP 43 . SING C6 N1 N N 43 . 51500 GTP 44 . SING N1 C2 N N 44 . 51500 GTP 45 . SING N1 HN1 N N 45 . 51500 GTP 46 . SING C2 N2 N N 46 . 51500 GTP 47 . DOUB C2 N3 N N 47 . 51500 GTP 48 . SING N2 HN21 N N 48 . 51500 GTP 49 . SING N2 HN22 N N 49 . 51500 GTP 50 . SING N3 C4 N N 50 . 51500 GTP stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 51500 _Sample.ID 1 _Sample.Name sample_1 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'HEPES (25 mM), Sodium chloride (150 mM), 1 mM magnesium chloride (1 mM), sucrose (5% w/v), pH 7.5.' _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'N-terminal GTPase Domain' '[U-99% 13C; U-99% 15N]' . . 1 $entity_1 . . 350 300 400 uM 7 . . . 51500 1 2 GUANOSINE-5'-TRIPHOSPHATE 'natural abundance' . . . . . . 200 . . uM 4 . . . 51500 1 3 D2O 'natural abundance' . . . . . . 10 . . % 0.01 . . . 51500 1 4 DSS 'natural abundance' . . . . . . 100 . . uM 5 . . . 51500 1 5 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM 1 . . . 51500 1 6 HEPES 'natural abundance' . . . . . . 25 . . mM 0.5 . . . 51500 1 7 'magnesium chloride' 'natural abundance' . . . . . . 1 . . mM 0.01 . . . 51500 1 8 H2O 'natural abundance' . . . . . . 90 . . % 1 . . . 51500 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 51500 _Sample.ID 2 _Sample.Name sample_2 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'HEPES (25 mM), Sodium chloride (150 mM), 1 mM magnesium chloride (1 mM), sucrose (5% w/v), pH 7.5.' _Sample.Aggregate_sample_number 2 _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'N-terminal GTPase Domain' '[U-99% 13C; U-99% 15N; U-80% 2H]' . . 1 $entity_1 . . 350 300 400 uM 7 . . . 51500 2 2 GUANOSINE-5'-TRIPHOSPHATE 'natural abundance' . . . . . . 200 . . uM 4 . . . 51500 2 3 D2O 'natural abundance' . . . . . . 10 . . % 0.01 . . . 51500 2 4 DSS 'natural abundance' . . . . . . 100 . . uM 5 . . . 51500 2 5 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM 1 . . . 51500 2 6 HEPES 'natural abundance' . . . . . . 25 . . mM 0.5 . . . 51500 2 7 'magnesium chloride' 'natural abundance' . . . . . . 1 . . mM 0.01 . . . 51500 2 8 H2O 'natural abundance' . . . . . . 90 . . % 1 . . . 51500 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 51500 _Sample_condition_list.ID 1 _Sample_condition_list.Name sample_cond_1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 150 1 mM 51500 1 pH 7.5 0.1 pH 51500 1 pressure 1 . atm 51500 1 temperature 298 0.1 K 51500 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 51500 _Software.ID 1 _Software.Type . _Software.Name VNMRj _Software.Version 4.2A _Software.DOI . _Software.Details 'Varian spectrometer software' loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 51500 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 51500 _Software.ID 2 _Software.Type . _Software.Name TOPSPIN _Software.Version 4.1 _Software.DOI . _Software.Details 'Bruker spectrometer software' loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 51500 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 51500 _Software.ID 3 _Software.Type . _Software.Name ANALYSIS _Software.Version 2.5 _Software.DOI . _Software.Details CCPNMR loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 51500 3 'data analysis' . 51500 3 'peak picking' . 51500 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 51500 _Software.ID 4 _Software.Type . _Software.Name istHMS _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 51500 4 processing . 51500 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 51500 _Software.ID 5 _Software.Type . _Software.Name NMRPipe _Software.Version 10.9 _Software.DOI . _Software.Details 'NMR Pipe data processing' loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 51500 5 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 51500 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Varian 900' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model DD2 _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 51500 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name 'Bruker 600' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE NEO' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 51500 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_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.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' yes no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51500 1 2 '2D 1H-15N HSQC' yes no yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 51500 1 3 '3D HNCACB' yes yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 51500 1 4 '3D CBCA(CO)NH' yes yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 51500 1 5 '3D C(CO)NH' yes yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 51500 1 6 '3D HNCO' yes yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 51500 1 7 '3D HN(CA)CO' yes yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 51500 1 8 '3D HN(CO)CA' yes yes no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 51500 1 9 '3D HN(COCA)CB' yes yes no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 51500 1 10 '3D HNCACB' yes yes no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 51500 1 11 '1D 1H' yes no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 51500 1 stop_ loop_ _Experiment_file.Experiment_ID _Experiment_file.Experiment_name _Experiment_file.Name _Experiment_file.Type _Experiment_file.Content _Experiment_file.Directory_path _Experiment_file.Details _Experiment_file.Entry_ID _Experiment_file.Experiment_list_ID 1 '2D 1H-15N HSQC' n15hsqc-900.fid.tar . 'NMR experiment directory' . . 51500 1 2 '2D 1H-15N HSQC' n15hsqc_600.fid.tar . 'NMR experiment directory' . . 51500 1 3 '3D HNCACB' hncacb.fid.tar . 'NMR experiment directory' . . 51500 1 4 '3D CBCA(CO)NH' cbcaconh.fid.tar . 'NMR experiment directory' . . 51500 1 5 '3D C(CO)NH' cconh.fid.tar . 'NMR experiment directory' . . 51500 1 6 '3D HNCO' hnco.fid.tar . 'NMR experiment directory' . . 51500 1 7 '3D HN(CA)CO' hncaco.fid.tar . 'NMR experiment directory' . . 51500 1 8 '3D HN(CO)CA' hncoca.fid.tar . 'NMR experiment directory' . . 51500 1 9 '3D HN(COCA)CB' hncocacb.fid.tar . 'NMR experiment directory' . . 51500 1 10 '3D HNCACB' 2H_hncacb.fid_2.tar . 'NMR experiment directory' . . 51500 1 11 '1D 1H' 1d-DSS-ref.tar . 'NMR experiment directory' . . 51500 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 51500 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name 'DSS Referencing' _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 51500 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 51500 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 51500 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 51500 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name Miro2-nGTPase _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 11 '1D 1H' . . . 51500 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 3 $software_3 . . 51500 1 5 $software_5 . . 51500 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 1 1 MET H H 1 8.131 0.014 . 1 . . . . . 1 MET H . 51500 1 2 . 1 . 1 1 1 MET C C 13 175.849 0.000 . 1 . . . . . 1 MET C . 51500 1 3 . 1 . 1 1 1 MET CA C 13 55.940 0.000 . 1 . . . . . 1 MET CA . 51500 1 4 . 1 . 1 1 1 MET CB C 13 32.870 0.013 . 1 . . . . . 1 MET CB . 51500 1 5 . 1 . 1 1 1 MET N N 15 120.966 0.035 . 1 . . . . . 1 MET N . 51500 1 6 . 1 . 1 2 2 GLY H H 1 7.997 0.006 . 1 . . . . . 2 GLY H . 51500 1 7 . 1 . 1 2 2 GLY CA C 13 45.681 0.000 . 1 . . . . . 2 GLY CA . 51500 1 8 . 1 . 1 2 2 GLY N N 15 116.379 0.051 . 1 . . . . . 2 GLY N . 51500 1 9 . 1 . 1 3 3 SER H H 1 7.784 0.002 . 1 . . . . . 3 SER H . 51500 1 10 . 1 . 1 3 3 SER CA C 13 61.310 0.000 . 1 . . . . . 3 SER CA . 51500 1 11 . 1 . 1 3 3 SER N N 15 112.393 0.029 . 1 . . . . . 3 SER N . 51500 1 12 . 1 . 1 13 13 GLY H H 1 8.375 0.014 . 1 . . . . . 13 GLY H . 51500 1 13 . 1 . 1 13 13 GLY N N 15 110.474 0.046 . 1 . . . . . 13 GLY N . 51500 1 14 . 1 . 1 14 14 LEU H H 1 8.014 0.008 . 1 . . . . . 14 LEU H . 51500 1 15 . 1 . 1 14 14 LEU C C 13 177.030 0.000 . 1 . . . . . 14 LEU C . 51500 1 16 . 1 . 1 14 14 LEU CA C 13 55.187 0.005 . 1 . . . . . 14 LEU CA . 51500 1 17 . 1 . 1 14 14 LEU CB C 13 42.435 0.024 . 1 . . . . . 14 LEU CB . 51500 1 18 . 1 . 1 14 14 LEU N N 15 121.432 0.034 . 1 . . . . . 14 LEU N . 51500 1 19 . 1 . 1 15 15 VAL H H 1 8.080 0.009 . 1 . . . . . 15 VAL H . 51500 1 20 . 1 . 1 15 15 VAL C C 13 174.315 0.000 . 1 . . . . . 15 VAL C . 51500 1 21 . 1 . 1 15 15 VAL CA C 13 59.840 0.000 . 1 . . . . . 15 VAL CA . 51500 1 22 . 1 . 1 15 15 VAL CB C 13 32.712 0.000 . 1 . . . . . 15 VAL CB . 51500 1 23 . 1 . 1 15 15 VAL N N 15 122.481 0.057 . 1 . . . . . 15 VAL N . 51500 1 24 . 1 . 1 17 17 ARG H H 1 8.473 0.007 . 1 . . . . . 17 ARG H . 51500 1 25 . 1 . 1 17 17 ARG C C 13 176.915 0.000 . 1 . . . . . 17 ARG C . 51500 1 26 . 1 . 1 17 17 ARG CA C 13 56.312 0.055 . 1 . . . . . 17 ARG CA . 51500 1 27 . 1 . 1 17 17 ARG CB C 13 30.918 0.023 . 1 . . . . . 17 ARG CB . 51500 1 28 . 1 . 1 17 17 ARG N N 15 121.855 0.030 . 1 . . . . . 17 ARG N . 51500 1 29 . 1 . 1 18 18 GLY H H 1 8.477 0.005 . 1 . . . . . 18 GLY H . 51500 1 30 . 1 . 1 18 18 GLY CA C 13 45.355 0.000 . 1 . . . . . 18 GLY CA . 51500 1 31 . 1 . 1 18 18 GLY N N 15 110.166 0.014 . 1 . . . . . 18 GLY N . 51500 1 32 . 1 . 1 19 19 SER H H 1 7.876 0.005 . 1 . . . . . 19 SER H . 51500 1 33 . 1 . 1 19 19 SER C C 13 179.117 0.000 . 1 . . . . . 19 SER C . 51500 1 34 . 1 . 1 19 19 SER CA C 13 59.979 0.000 . 1 . . . . . 19 SER CA . 51500 1 35 . 1 . 1 19 19 SER CB C 13 64.861 0.000 . 1 . . . . . 19 SER CB . 51500 1 36 . 1 . 1 19 19 SER N N 15 121.303 0.044 . 1 . . . . . 19 SER N . 51500 1 37 . 1 . 1 21 21 MET C C 13 175.724 0.000 . 1 . . . . . 21 MET C . 51500 1 38 . 1 . 1 21 21 MET CA C 13 55.448 0.000 . 1 . . . . . 21 MET CA . 51500 1 39 . 1 . 1 21 21 MET CB C 13 32.701 0.000 . 1 . . . . . 21 MET CB . 51500 1 40 . 1 . 1 21 21 MET CG C 13 32.003 0.000 . 1 . . . . . 21 MET CG . 51500 1 41 . 1 . 1 22 22 ARG H H 1 8.330 0.006 . 1 . . . . . 22 ARG H . 51500 1 42 . 1 . 1 22 22 ARG C C 13 175.619 0.021 . 1 . . . . . 22 ARG C . 51500 1 43 . 1 . 1 22 22 ARG CA C 13 55.904 0.041 . 1 . . . . . 22 ARG CA . 51500 1 44 . 1 . 1 22 22 ARG CB C 13 30.747 0.073 . 1 . . . . . 22 ARG CB . 51500 1 45 . 1 . 1 22 22 ARG CD C 13 43.411 0.000 . 1 . . . . . 22 ARG CD . 51500 1 46 . 1 . 1 22 22 ARG N N 15 122.307 0.058 . 1 . . . . . 22 ARG N . 51500 1 47 . 1 . 1 23 23 ARG C C 13 174.488 0.072 . 1 . . . . . 23 ARG C . 51500 1 48 . 1 . 1 23 23 ARG CA C 13 55.794 0.060 . 1 . . . . . 23 ARG CA . 51500 1 49 . 1 . 1 23 23 ARG CB C 13 31.130 0.056 . 1 . . . . . 23 ARG CB . 51500 1 50 . 1 . 1 23 23 ARG CD C 13 43.489 0.000 . 1 . . . . . 23 ARG CD . 51500 1 51 . 1 . 1 24 24 ASP C C 13 174.952 0.003 . 1 . . . . . 24 ASP C . 51500 1 52 . 1 . 1 24 24 ASP CA C 13 53.652 0.012 . 1 . . . . . 24 ASP CA . 51500 1 53 . 1 . 1 24 24 ASP CB C 13 42.433 0.034 . 1 . . . . . 24 ASP CB . 51500 1 54 . 1 . 1 25 25 VAL H H 1 8.218 0.006 . 1 . . . . . 25 VAL H . 51500 1 55 . 1 . 1 25 25 VAL C C 13 173.698 0.069 . 1 . . . . . 25 VAL C . 51500 1 56 . 1 . 1 25 25 VAL CA C 13 62.468 0.061 . 1 . . . . . 25 VAL CA . 51500 1 57 . 1 . 1 25 25 VAL CB C 13 33.061 0.000 . 1 . . . . . 25 VAL CB . 51500 1 58 . 1 . 1 25 25 VAL CG1 C 13 22.033 0.000 . 1 . . . . . 25 VAL CG1 . 51500 1 59 . 1 . 1 25 25 VAL N N 15 120.816 0.042 . 1 . . . . . 25 VAL N . 51500 1 60 . 1 . 1 26 26 ARG H H 1 9.720 0.008 . 1 . . . . . 26 ARG H . 51500 1 61 . 1 . 1 26 26 ARG C C 13 174.039 0.033 . 1 . . . . . 26 ARG C . 51500 1 62 . 1 . 1 26 26 ARG CA C 13 55.922 0.000 . 1 . . . . . 26 ARG CA . 51500 1 63 . 1 . 1 26 26 ARG CB C 13 31.99 0.000 . 1 . . . . . 26 ARG CB . 51500 1 64 . 1 . 1 26 26 ARG N N 15 131.370 0.011 . 1 . . . . . 26 ARG N . 51500 1 65 . 1 . 1 27 27 ILE H H 1 9.149 0.010 . 1 . . . . . 27 ILE H . 51500 1 66 . 1 . 1 27 27 ILE CA C 13 60.523 0.000 . 1 . . . . . 27 ILE CA . 51500 1 67 . 1 . 1 27 27 ILE CB C 13 39.733 0.000 . 1 . . . . . 27 ILE CB . 51500 1 68 . 1 . 1 27 27 ILE N N 15 126.725 0.015 . 1 . . . . . 27 ILE N . 51500 1 69 . 1 . 1 28 28 LEU C C 13 174.457 0.000 . 1 . . . . . 28 LEU C . 51500 1 70 . 1 . 1 28 28 LEU CA C 13 52.979 0.000 . 1 . . . . . 28 LEU CA . 51500 1 71 . 1 . 1 28 28 LEU CB C 13 46.419 0.000 . 1 . . . . . 28 LEU CB . 51500 1 72 . 1 . 1 29 29 LEU H H 1 8.379 0.009 . 1 . . . . . 29 LEU H . 51500 1 73 . 1 . 1 29 29 LEU C C 13 173.325 0.000 . 1 . . . . . 29 LEU C . 51500 1 74 . 1 . 1 29 29 LEU CA C 13 55.319 0.000 . 1 . . . . . 29 LEU CA . 51500 1 75 . 1 . 1 29 29 LEU CB C 13 42.560 0.000 . 1 . . . . . 29 LEU CB . 51500 1 76 . 1 . 1 29 29 LEU N N 15 129.309 0.049 . 1 . . . . . 29 LEU N . 51500 1 77 . 1 . 1 30 30 LEU H H 1 8.173 0.007 . 1 . . . . . 30 LEU H . 51500 1 78 . 1 . 1 30 30 LEU C C 13 174.892 0.009 . 1 . . . . . 30 LEU C . 51500 1 79 . 1 . 1 30 30 LEU CA C 13 51.934 0.000 . 1 . . . . . 30 LEU CA . 51500 1 80 . 1 . 1 30 30 LEU CB C 13 45.910 0.000 . 1 . . . . . 30 LEU CB . 51500 1 81 . 1 . 1 30 30 LEU N N 15 113.849 0.018 . 1 . . . . . 30 LEU N . 51500 1 82 . 1 . 1 31 31 GLY H H 1 4.543 0.005 . 1 . . . . . 31 GLY H . 51500 1 83 . 1 . 1 31 31 GLY C C 13 172.974 0.000 . 1 . . . . . 31 GLY C . 51500 1 84 . 1 . 1 31 31 GLY CA C 13 43.263 0.000 . 1 . . . . . 31 GLY CA . 51500 1 85 . 1 . 1 31 31 GLY N N 15 103.052 0.000 . 1 . . . . . 31 GLY N . 51500 1 86 . 1 . 1 32 32 GLU H H 1 8.513 0.012 . 1 . . . . . 32 GLU H . 51500 1 87 . 1 . 1 32 32 GLU C C 13 174.595 0.002 . 1 . . . . . 32 GLU C . 51500 1 88 . 1 . 1 32 32 GLU CA C 13 56.060 0.000 . 1 . . . . . 32 GLU CA . 51500 1 89 . 1 . 1 32 32 GLU CB C 13 31.865 0.000 . 1 . . . . . 32 GLU CB . 51500 1 90 . 1 . 1 32 32 GLU N N 15 117.056 0.049 . 1 . . . . . 32 GLU N . 51500 1 91 . 1 . 1 33 33 ALA H H 1 8.830 0.008 . 1 . . . . . 33 ALA H . 51500 1 92 . 1 . 1 33 33 ALA C C 13 179.008 0.008 . 1 . . . . . 33 ALA C . 51500 1 93 . 1 . 1 33 33 ALA CA C 13 52.951 0.058 . 1 . . . . . 33 ALA CA . 51500 1 94 . 1 . 1 33 33 ALA CB C 13 18.546 0.015 . 1 . . . . . 33 ALA CB . 51500 1 95 . 1 . 1 33 33 ALA N N 15 123.503 0.033 . 1 . . . . . 33 ALA N . 51500 1 96 . 1 . 1 34 34 GLN H H 1 8.160 0.012 . 1 . . . . . 34 GLN H . 51500 1 97 . 1 . 1 34 34 GLN C C 13 174.985 0.017 . 1 . . . . . 34 GLN C . 51500 1 98 . 1 . 1 34 34 GLN CA C 13 57.336 0.050 . 1 . . . . . 34 GLN CA . 51500 1 99 . 1 . 1 34 34 GLN CB C 13 25.605 0.000 . 1 . . . . . 34 GLN CB . 51500 1 100 . 1 . 1 34 34 GLN CG C 13 34.389 0.000 . 1 . . . . . 34 GLN CG . 51500 1 101 . 1 . 1 34 34 GLN N N 15 109.107 0.052 . 1 . . . . . 34 GLN N . 51500 1 102 . 1 . 1 35 35 VAL H H 1 7.350 0.010 . 1 . . . . . 35 VAL H . 51500 1 103 . 1 . 1 35 35 VAL C C 13 174.272 0.009 . 1 . . . . . 35 VAL C . 51500 1 104 . 1 . 1 35 35 VAL CA C 13 63.733 0.000 . 1 . . . . . 35 VAL CA . 51500 1 105 . 1 . 1 35 35 VAL CB C 13 31.634 0.000 . 1 . . . . . 35 VAL CB . 51500 1 106 . 1 . 1 35 35 VAL CG1 C 13 22.008 0.000 . 1 . . . . . 35 VAL CG1 . 51500 1 107 . 1 . 1 35 35 VAL N N 15 110.979 0.041 . 1 . . . . . 35 VAL N . 51500 1 108 . 1 . 1 36 36 GLY H H 1 8.291 0.008 . 1 . . . . . 36 GLY H . 51500 1 109 . 1 . 1 36 36 GLY C C 13 173.914 0.000 . 1 . . . . . 36 GLY C . 51500 1 110 . 1 . 1 36 36 GLY CA C 13 45.910 0.000 . 1 . . . . . 36 GLY CA . 51500 1 111 . 1 . 1 36 36 GLY N N 15 107.497 0.032 . 1 . . . . . 36 GLY N . 51500 1 112 . 1 . 1 37 37 LYS H H 1 7.787 0.007 . 1 . . . . . 37 LYS H . 51500 1 113 . 1 . 1 37 37 LYS C C 13 176.620 0.021 . 1 . . . . . 37 LYS C . 51500 1 114 . 1 . 1 37 37 LYS CA C 13 61.220 0.000 . 1 . . . . . 37 LYS CA . 51500 1 115 . 1 . 1 37 37 LYS CB C 13 29.830 0.000 . 1 . . . . . 37 LYS CB . 51500 1 116 . 1 . 1 37 37 LYS N N 15 118.065 0.024 . 1 . . . . . 37 LYS N . 51500 1 117 . 1 . 1 38 38 THR H H 1 9.154 0.011 . 1 . . . . . 38 THR H . 51500 1 118 . 1 . 1 38 38 THR C C 13 177.004 0.000 . 1 . . . . . 38 THR C . 51500 1 119 . 1 . 1 38 38 THR CA C 13 66.612 0.062 . 1 . . . . . 38 THR CA . 51500 1 120 . 1 . 1 38 38 THR CB C 13 68.203 0.051 . 1 . . . . . 38 THR CB . 51500 1 121 . 1 . 1 38 38 THR CG2 C 13 19.387 0.000 . 1 . . . . . 38 THR CG2 . 51500 1 122 . 1 . 1 38 38 THR N N 15 116.069 0.057 . 1 . . . . . 38 THR N . 51500 1 123 . 1 . 1 39 39 SER H H 1 8.619 0.009 . 1 . . . . . 39 SER H . 51500 1 124 . 1 . 1 39 39 SER C C 13 176.366 0.033 . 1 . . . . . 39 SER C . 51500 1 125 . 1 . 1 39 39 SER CA C 13 56.245 0.000 . 1 . . . . . 39 SER CA . 51500 1 126 . 1 . 1 39 39 SER CB C 13 63.209 0.000 . 1 . . . . . 39 SER CB . 51500 1 127 . 1 . 1 39 39 SER N N 15 117.505 0.036 . 1 . . . . . 39 SER N . 51500 1 128 . 1 . 1 40 40 LEU H H 1 8.732 0.008 . 1 . . . . . 40 LEU H . 51500 1 129 . 1 . 1 40 40 LEU C C 13 177.612 0.006 . 1 . . . . . 40 LEU C . 51500 1 130 . 1 . 1 40 40 LEU CA C 13 59.395 0.062 . 1 . . . . . 40 LEU CA . 51500 1 131 . 1 . 1 40 40 LEU CB C 13 42.674 0.040 . 1 . . . . . 40 LEU CB . 51500 1 132 . 1 . 1 40 40 LEU N N 15 125.159 0.015 . 1 . . . . . 40 LEU N . 51500 1 133 . 1 . 1 41 41 ILE H H 1 7.326 0.006 . 1 . . . . . 41 ILE H . 51500 1 134 . 1 . 1 41 41 ILE C C 13 177.643 0.000 . 1 . . . . . 41 ILE C . 51500 1 135 . 1 . 1 41 41 ILE CA C 13 66.291 0.000 . 1 . . . . . 41 ILE CA . 51500 1 136 . 1 . 1 41 41 ILE CB C 13 38.793 0.000 . 1 . . . . . 41 ILE CB . 51500 1 137 . 1 . 1 41 41 ILE CG2 C 13 16.852 0.000 . 1 . . . . . 41 ILE CG2 . 51500 1 138 . 1 . 1 41 41 ILE N N 15 117.941 0.048 . 1 . . . . . 41 ILE N . 51500 1 139 . 1 . 1 42 42 LEU H H 1 8.300 0.010 . 1 . . . . . 42 LEU H . 51500 1 140 . 1 . 1 42 42 LEU C C 13 180.933 0.018 . 1 . . . . . 42 LEU C . 51500 1 141 . 1 . 1 42 42 LEU CA C 13 57.335 0.076 . 1 . . . . . 42 LEU CA . 51500 1 142 . 1 . 1 42 42 LEU CB C 13 41.001 0.044 . 1 . . . . . 42 LEU CB . 51500 1 143 . 1 . 1 42 42 LEU CG C 13 25.640 0.000 . 1 . . . . . 42 LEU CG . 51500 1 144 . 1 . 1 42 42 LEU N N 15 115.494 0.031 . 1 . . . . . 42 LEU N . 51500 1 145 . 1 . 1 43 43 SER H H 1 8.349 0.008 . 1 . . . . . 43 SER H . 51500 1 146 . 1 . 1 43 43 SER C C 13 176.037 0.000 . 1 . . . . . 43 SER C . 51500 1 147 . 1 . 1 43 43 SER CA C 13 63.037 0.000 . 1 . . . . . 43 SER CA . 51500 1 148 . 1 . 1 43 43 SER N N 15 118.914 0.019 . 1 . . . . . 43 SER N . 51500 1 149 . 1 . 1 44 44 LEU H H 1 7.575 0.005 . 1 . . . . . 44 LEU H . 51500 1 150 . 1 . 1 44 44 LEU C C 13 178.722 0.001 . 1 . . . . . 44 LEU C . 51500 1 151 . 1 . 1 44 44 LEU CA C 13 58.003 0.000 . 1 . . . . . 44 LEU CA . 51500 1 152 . 1 . 1 44 44 LEU CB C 13 41.220 0.000 . 1 . . . . . 44 LEU CB . 51500 1 153 . 1 . 1 44 44 LEU CD1 C 13 24.483 0.000 . 1 . . . . . 44 LEU CD1 . 51500 1 154 . 1 . 1 44 44 LEU N N 15 122.801 0.027 . 1 . . . . . 44 LEU N . 51500 1 155 . 1 . 1 45 45 VAL H H 1 7.447 0.006 . 1 . . . . . 45 VAL H . 51500 1 156 . 1 . 1 45 45 VAL C C 13 177.544 0.032 . 1 . . . . . 45 VAL C . 51500 1 157 . 1 . 1 45 45 VAL CA C 13 64.297 0.000 . 1 . . . . . 45 VAL CA . 51500 1 158 . 1 . 1 45 45 VAL CB C 13 32.172 0.000 . 1 . . . . . 45 VAL CB . 51500 1 159 . 1 . 1 45 45 VAL CG1 C 13 21.324 0.000 . 1 . . . . . 45 VAL CG1 . 51500 1 160 . 1 . 1 45 45 VAL N N 15 111.775 0.025 . 1 . . . . . 45 VAL N . 51500 1 161 . 1 . 1 46 46 GLY H H 1 7.965 0.008 . 1 . . . . . 46 GLY H . 51500 1 162 . 1 . 1 46 46 GLY C C 13 173.827 0.000 . 1 . . . . . 46 GLY C . 51500 1 163 . 1 . 1 46 46 GLY CA C 13 45.162 0.049 . 1 . . . . . 46 GLY CA . 51500 1 164 . 1 . 1 46 46 GLY N N 15 107.025 0.038 . 1 . . . . . 46 GLY N . 51500 1 165 . 1 . 1 47 47 GLU H H 1 7.838 0.008 . 1 . . . . . 47 GLU H . 51500 1 166 . 1 . 1 47 47 GLU C C 13 174.490 0.000 . 1 . . . . . 47 GLU C . 51500 1 167 . 1 . 1 47 47 GLU CA C 13 57.289 0.007 . 1 . . . . . 47 GLU CA . 51500 1 168 . 1 . 1 47 47 GLU CB C 13 28.365 0.007 . 1 . . . . . 47 GLU CB . 51500 1 169 . 1 . 1 47 47 GLU CG C 13 37.176 0.000 . 1 . . . . . 47 GLU CG . 51500 1 170 . 1 . 1 47 47 GLU N N 15 116.086 0.023 . 1 . . . . . 47 GLU N . 51500 1 171 . 1 . 1 48 48 GLU H H 1 7.441 0.006 . 1 . . . . . 48 GLU H . 51500 1 172 . 1 . 1 48 48 GLU C C 13 174.431 0.000 . 1 . . . . . 48 GLU C . 51500 1 173 . 1 . 1 48 48 GLU CA C 13 55.250 0.071 . 1 . . . . . 48 GLU CA . 51500 1 174 . 1 . 1 48 48 GLU CB C 13 32.186 0.046 . 1 . . . . . 48 GLU CB . 51500 1 175 . 1 . 1 48 48 GLU CG C 13 35.658 0.000 . 1 . . . . . 48 GLU CG . 51500 1 176 . 1 . 1 48 48 GLU N N 15 114.935 0.025 . 1 . . . . . 48 GLU N . 51500 1 177 . 1 . 1 49 49 PHE H H 1 8.950 0.007 . 1 . . . . . 49 PHE H . 51500 1 178 . 1 . 1 49 49 PHE C C 13 173.755 0.000 . 1 . . . . . 49 PHE C . 51500 1 179 . 1 . 1 49 49 PHE CA C 13 54.877 0.000 . 1 . . . . . 49 PHE CA . 51500 1 180 . 1 . 1 49 49 PHE CB C 13 39.068 0.000 . 1 . . . . . 49 PHE CB . 51500 1 181 . 1 . 1 49 49 PHE N N 15 127.340 0.014 . 1 . . . . . 49 PHE N . 51500 1 182 . 1 . 1 50 50 PRO C C 13 174.876 0.000 . 1 . . . . . 50 PRO C . 51500 1 183 . 1 . 1 50 50 PRO CA C 13 60.937 0.024 . 1 . . . . . 50 PRO CA . 51500 1 184 . 1 . 1 50 50 PRO CB C 13 30.848 0.023 . 1 . . . . . 50 PRO CB . 51500 1 185 . 1 . 1 50 50 PRO CG C 13 27.225 0.000 . 1 . . . . . 50 PRO CG . 51500 1 186 . 1 . 1 50 50 PRO CD C 13 50.462 0.000 . 1 . . . . . 50 PRO CD . 51500 1 187 . 1 . 1 51 51 GLU H H 1 8.183 0.009 . 1 . . . . . 51 GLU H . 51500 1 188 . 1 . 1 51 51 GLU C C 13 176.170 0.009 . 1 . . . . . 51 GLU C . 51500 1 189 . 1 . 1 51 51 GLU CA C 13 58.052 0.079 . 1 . . . . . 51 GLU CA . 51500 1 190 . 1 . 1 51 51 GLU CB C 13 29.863 0.064 . 1 . . . . . 51 GLU CB . 51500 1 191 . 1 . 1 51 51 GLU CG C 13 36.653 0.000 . 1 . . . . . 51 GLU CG . 51500 1 192 . 1 . 1 51 51 GLU N N 15 121.513 0.041 . 1 . . . . . 51 GLU N . 51500 1 193 . 1 . 1 52 52 GLU H H 1 7.429 0.007 . 1 . . . . . 52 GLU H . 51500 1 194 . 1 . 1 52 52 GLU C C 13 174.692 0.029 . 1 . . . . . 52 GLU C . 51500 1 195 . 1 . 1 52 52 GLU CA C 13 54.916 0.000 . 1 . . . . . 52 GLU CA . 51500 1 196 . 1 . 1 52 52 GLU CB C 13 32.128 0.049 . 1 . . . . . 52 GLU CB . 51500 1 197 . 1 . 1 52 52 GLU CG C 13 36.012 0.000 . 1 . . . . . 52 GLU CG . 51500 1 198 . 1 . 1 52 52 GLU N N 15 115.711 0.038 . 1 . . . . . 52 GLU N . 51500 1 199 . 1 . 1 53 53 VAL H H 1 8.260 0.007 . 1 . . . . . 53 VAL H . 51500 1 200 . 1 . 1 53 53 VAL C C 13 173.375 0.000 . 1 . . . . . 53 VAL C . 51500 1 201 . 1 . 1 53 53 VAL CA C 13 57.808 0.000 . 1 . . . . . 53 VAL CA . 51500 1 202 . 1 . 1 53 53 VAL CB C 13 33.670 0.000 . 1 . . . . . 53 VAL CB . 51500 1 203 . 1 . 1 53 53 VAL N N 15 115.899 0.041 . 1 . . . . . 53 VAL N . 51500 1 204 . 1 . 1 55 55 PRO C C 13 177.425 0.000 . 1 . . . . . 55 PRO C . 51500 1 205 . 1 . 1 55 55 PRO CA C 13 64.943 0.012 . 1 . . . . . 55 PRO CA . 51500 1 206 . 1 . 1 55 55 PRO CB C 13 32.308 0.000 . 1 . . . . . 55 PRO CB . 51500 1 207 . 1 . 1 56 56 ARG H H 1 8.082 0.005 . 1 . . . . . 56 ARG H . 51500 1 208 . 1 . 1 56 56 ARG C C 13 174.685 0.005 . 1 . . . . . 56 ARG C . 51500 1 209 . 1 . 1 56 56 ARG CA C 13 53.882 0.071 . 1 . . . . . 56 ARG CA . 51500 1 210 . 1 . 1 56 56 ARG CB C 13 34.299 0.000 . 1 . . . . . 56 ARG CB . 51500 1 211 . 1 . 1 56 56 ARG CD C 13 43.768 0.000 . 1 . . . . . 56 ARG CD . 51500 1 212 . 1 . 1 56 56 ARG N N 15 118.157 0.029 . 1 . . . . . 56 ARG N . 51500 1 213 . 1 . 1 57 57 ALA H H 1 10.317 0.006 . 1 . . . . . 57 ALA H . 51500 1 214 . 1 . 1 57 57 ALA C C 13 177.665 0.026 . 1 . . . . . 57 ALA C . 51500 1 215 . 1 . 1 57 57 ALA CA C 13 51.633 0.045 . 1 . . . . . 57 ALA CA . 51500 1 216 . 1 . 1 57 57 ALA CB C 13 18.866 0.031 . 1 . . . . . 57 ALA CB . 51500 1 217 . 1 . 1 57 57 ALA N N 15 131.388 0.034 . 1 . . . . . 57 ALA N . 51500 1 218 . 1 . 1 58 58 GLU H H 1 8.168 0.006 . 1 . . . . . 58 GLU H . 51500 1 219 . 1 . 1 58 58 GLU C C 13 175.902 0.003 . 1 . . . . . 58 GLU C . 51500 1 220 . 1 . 1 58 58 GLU CA C 13 56.057 0.052 . 1 . . . . . 58 GLU CA . 51500 1 221 . 1 . 1 58 58 GLU CB C 13 30.002 0.040 . 1 . . . . . 58 GLU CB . 51500 1 222 . 1 . 1 58 58 GLU CG C 13 36.370 0.000 . 1 . . . . . 58 GLU CG . 51500 1 223 . 1 . 1 58 58 GLU N N 15 120.689 0.037 . 1 . . . . . 58 GLU N . 51500 1 224 . 1 . 1 59 59 GLU H H 1 8.395 0.009 . 1 . . . . . 59 GLU H . 51500 1 225 . 1 . 1 59 59 GLU C C 13 176.649 0.016 . 1 . . . . . 59 GLU C . 51500 1 226 . 1 . 1 59 59 GLU CA C 13 58.311 0.000 . 1 . . . . . 59 GLU CA . 51500 1 227 . 1 . 1 59 59 GLU CB C 13 30.153 0.000 . 1 . . . . . 59 GLU CB . 51500 1 228 . 1 . 1 59 59 GLU CG C 13 36.803 0.000 . 1 . . . . . 59 GLU CG . 51500 1 229 . 1 . 1 59 59 GLU N N 15 121.737 0.028 . 1 . . . . . 59 GLU N . 51500 1 230 . 1 . 1 60 60 ILE H H 1 8.146 0.006 . 1 . . . . . 60 ILE H . 51500 1 231 . 1 . 1 60 60 ILE C C 13 174.959 0.000 . 1 . . . . . 60 ILE C . 51500 1 232 . 1 . 1 60 60 ILE CA C 13 58.871 0.000 . 1 . . . . . 60 ILE CA . 51500 1 233 . 1 . 1 60 60 ILE CB C 13 41.669 0.000 . 1 . . . . . 60 ILE CB . 51500 1 234 . 1 . 1 60 60 ILE CG1 C 13 27.947 0.000 . 1 . . . . . 60 ILE CG1 . 51500 1 235 . 1 . 1 60 60 ILE CG2 C 13 17.763 0.000 . 1 . . . . . 60 ILE CG2 . 51500 1 236 . 1 . 1 60 60 ILE CD1 C 13 13.788 0.000 . 1 . . . . . 60 ILE CD1 . 51500 1 237 . 1 . 1 60 60 ILE N N 15 124.477 0.033 . 1 . . . . . 60 ILE N . 51500 1 238 . 1 . 1 61 61 THR H H 1 8.531 0.014 . 1 . . . . . 61 THR H . 51500 1 239 . 1 . 1 61 61 THR C C 13 174.206 0.000 . 1 . . . . . 61 THR C . 51500 1 240 . 1 . 1 61 61 THR CA C 13 61.573 0.067 . 1 . . . . . 61 THR CA . 51500 1 241 . 1 . 1 61 61 THR CB C 13 70.308 0.000 . 1 . . . . . 61 THR CB . 51500 1 242 . 1 . 1 61 61 THR CG2 C 13 21.626 0.000 . 1 . . . . . 61 THR CG2 . 51500 1 243 . 1 . 1 61 61 THR N N 15 121.922 0.043 . 1 . . . . . 61 THR N . 51500 1 244 . 1 . 1 62 62 ILE H H 1 8.430 0.005 . 1 . . . . . 62 ILE H . 51500 1 245 . 1 . 1 62 62 ILE C C 13 176.057 0.000 . 1 . . . . . 62 ILE C . 51500 1 246 . 1 . 1 62 62 ILE CA C 13 56.353 0.000 . 1 . . . . . 62 ILE CA . 51500 1 247 . 1 . 1 62 62 ILE N N 15 122.646 0.031 . 1 . . . . . 62 ILE N . 51500 1 248 . 1 . 1 63 63 PRO C C 13 176.483 0.000 . 1 . . . . . 63 PRO C . 51500 1 249 . 1 . 1 63 63 PRO CA C 13 62.586 0.000 . 1 . . . . . 63 PRO CA . 51500 1 250 . 1 . 1 63 63 PRO CB C 13 32.627 0.000 . 1 . . . . . 63 PRO CB . 51500 1 251 . 1 . 1 64 64 ALA H H 1 8.500 0.010 . 1 . . . . . 64 ALA H . 51500 1 252 . 1 . 1 64 64 ALA C C 13 178.695 0.047 . 1 . . . . . 64 ALA C . 51500 1 253 . 1 . 1 64 64 ALA CA C 13 54.169 0.013 . 1 . . . . . 64 ALA CA . 51500 1 254 . 1 . 1 64 64 ALA CB C 13 19.145 0.041 . 1 . . . . . 64 ALA CB . 51500 1 255 . 1 . 1 64 64 ALA N N 15 121.970 0.043 . 1 . . . . . 64 ALA N . 51500 1 256 . 1 . 1 65 65 ASP H H 1 8.250 0.004 . 1 . . . . . 65 ASP H . 51500 1 257 . 1 . 1 65 65 ASP C C 13 176.883 0.010 . 1 . . . . . 65 ASP C . 51500 1 258 . 1 . 1 65 65 ASP CA C 13 55.729 0.015 . 1 . . . . . 65 ASP CA . 51500 1 259 . 1 . 1 65 65 ASP CB C 13 40.556 0.000 . 1 . . . . . 65 ASP CB . 51500 1 260 . 1 . 1 65 65 ASP N N 15 111.735 0.043 . 1 . . . . . 65 ASP N . 51500 1 261 . 1 . 1 66 66 VAL H H 1 7.386 0.014 . 1 . . . . . 66 VAL H . 51500 1 262 . 1 . 1 66 66 VAL C C 13 175.946 0.003 . 1 . . . . . 66 VAL C . 51500 1 263 . 1 . 1 66 66 VAL CA C 13 62.560 0.005 . 1 . . . . . 66 VAL CA . 51500 1 264 . 1 . 1 66 66 VAL CB C 13 32.198 0.000 . 1 . . . . . 66 VAL CB . 51500 1 265 . 1 . 1 66 66 VAL CG1 C 13 21.384 0.000 . 1 . . . . . 66 VAL CG1 . 51500 1 266 . 1 . 1 66 66 VAL N N 15 113.501 0.012 . 1 . . . . . 66 VAL N . 51500 1 267 . 1 . 1 67 67 THR H H 1 7.612 0.009 . 1 . . . . . 67 THR H . 51500 1 268 . 1 . 1 67 67 THR C C 13 173.926 0.000 . 1 . . . . . 67 THR C . 51500 1 269 . 1 . 1 67 67 THR CA C 13 58.750 0.000 . 1 . . . . . 67 THR CA . 51500 1 270 . 1 . 1 67 67 THR CB C 13 69.543 0.000 . 1 . . . . . 67 THR CB . 51500 1 271 . 1 . 1 67 67 THR N N 15 112.320 0.045 . 1 . . . . . 67 THR N . 51500 1 272 . 1 . 1 68 68 PRO C C 13 178.022 0.000 . 1 . . . . . 68 PRO C . 51500 1 273 . 1 . 1 68 68 PRO CA C 13 65.154 0.000 . 1 . . . . . 68 PRO CA . 51500 1 274 . 1 . 1 68 68 PRO CB C 13 32.066 0.000 . 1 . . . . . 68 PRO CB . 51500 1 275 . 1 . 1 68 68 PRO CG C 13 27.478 0.000 . 1 . . . . . 68 PRO CG . 51500 1 276 . 1 . 1 69 69 GLU H H 1 8.203 0.011 . 1 . . . . . 69 GLU H . 51500 1 277 . 1 . 1 69 69 GLU C C 13 175.924 0.000 . 1 . . . . . 69 GLU C . 51500 1 278 . 1 . 1 69 69 GLU CA C 13 56.045 0.000 . 1 . . . . . 69 GLU CA . 51500 1 279 . 1 . 1 69 69 GLU CB C 13 29.436 0.000 . 1 . . . . . 69 GLU CB . 51500 1 280 . 1 . 1 69 69 GLU N N 15 114.385 0.057 . 1 . . . . . 69 GLU N . 51500 1 281 . 1 . 1 72 72 PRO C C 13 175.410 0.000 . 1 . . . . . 72 PRO C . 51500 1 282 . 1 . 1 72 72 PRO CA C 13 63.758 0.000 . 1 . . . . . 72 PRO CA . 51500 1 283 . 1 . 1 72 72 PRO CB C 13 32.192 0.000 . 1 . . . . . 72 PRO CB . 51500 1 284 . 1 . 1 73 73 THR H H 1 8.176 0.009 . 1 . . . . . 73 THR H . 51500 1 285 . 1 . 1 73 73 THR C C 13 171.839 0.011 . 1 . . . . . 73 THR C . 51500 1 286 . 1 . 1 73 73 THR CA C 13 61.179 0.073 . 1 . . . . . 73 THR CA . 51500 1 287 . 1 . 1 73 73 THR CB C 13 71.339 0.031 . 1 . . . . . 73 THR CB . 51500 1 288 . 1 . 1 73 73 THR N N 15 119.022 0.029 . 1 . . . . . 73 THR N . 51500 1 289 . 1 . 1 74 74 HIS H H 1 9.489 0.006 . 1 . . . . . 74 HIS H . 51500 1 290 . 1 . 1 74 74 HIS C C 13 174.033 0.000 . 1 . . . . . 74 HIS C . 51500 1 291 . 1 . 1 74 74 HIS CA C 13 54.198 0.000 . 1 . . . . . 74 HIS CA . 51500 1 292 . 1 . 1 74 74 HIS CB C 13 31.525 0.079 . 1 . . . . . 74 HIS CB . 51500 1 293 . 1 . 1 74 74 HIS N N 15 127.238 0.032 . 1 . . . . . 74 HIS N . 51500 1 294 . 1 . 1 75 75 ILE H H 1 9.280 0.007 . 1 . . . . . 75 ILE H . 51500 1 295 . 1 . 1 75 75 ILE C C 13 174.345 0.062 . 1 . . . . . 75 ILE C . 51500 1 296 . 1 . 1 75 75 ILE CA C 13 61.146 0.037 . 1 . . . . . 75 ILE CA . 51500 1 297 . 1 . 1 75 75 ILE CB C 13 39.534 0.000 . 1 . . . . . 75 ILE CB . 51500 1 298 . 1 . 1 75 75 ILE CG1 C 13 25.882 0.000 . 1 . . . . . 75 ILE CG1 . 51500 1 299 . 1 . 1 75 75 ILE CG2 C 13 19.073 0.000 . 1 . . . . . 75 ILE CG2 . 51500 1 300 . 1 . 1 75 75 ILE CD1 C 13 14.045 0.000 . 1 . . . . . 75 ILE CD1 . 51500 1 301 . 1 . 1 75 75 ILE N N 15 123.816 0.038 . 1 . . . . . 75 ILE N . 51500 1 302 . 1 . 1 76 76 VAL H H 1 9.146 0.005 . 1 . . . . . 76 VAL H . 51500 1 303 . 1 . 1 76 76 VAL C C 13 172.296 0.019 . 1 . . . . . 76 VAL C . 51500 1 304 . 1 . 1 76 76 VAL CA C 13 62.303 0.050 . 1 . . . . . 76 VAL CA . 51500 1 305 . 1 . 1 76 76 VAL CB C 13 33.617 0.000 . 1 . . . . . 76 VAL CB . 51500 1 306 . 1 . 1 76 76 VAL CG1 C 13 21.021 0.000 . 1 . . . . . 76 VAL CG1 . 51500 1 307 . 1 . 1 76 76 VAL N N 15 130.015 0.055 . 1 . . . . . 76 VAL N . 51500 1 308 . 1 . 1 77 77 ASP H H 1 8.785 0.010 . 1 . . . . . 77 ASP H . 51500 1 309 . 1 . 1 77 77 ASP C C 13 175.275 0.002 . 1 . . . . . 77 ASP C . 51500 1 310 . 1 . 1 77 77 ASP CA C 13 51.530 0.058 . 1 . . . . . 77 ASP CA . 51500 1 311 . 1 . 1 77 77 ASP CB C 13 43.801 0.000 . 1 . . . . . 77 ASP CB . 51500 1 312 . 1 . 1 77 77 ASP N N 15 127.335 0.040 . 1 . . . . . 77 ASP N . 51500 1 313 . 1 . 1 78 78 TYR H H 1 8.433 0.011 . 1 . . . . . 78 TYR H . 51500 1 314 . 1 . 1 78 78 TYR C C 13 174.133 0.008 . 1 . . . . . 78 TYR C . 51500 1 315 . 1 . 1 78 78 TYR CA C 13 56.510 0.034 . 1 . . . . . 78 TYR CA . 51500 1 316 . 1 . 1 78 78 TYR CB C 13 42.439 0.020 . 1 . . . . . 78 TYR CB . 51500 1 317 . 1 . 1 78 78 TYR N N 15 125.012 0.033 . 1 . . . . . 78 TYR N . 51500 1 318 . 1 . 1 79 79 SER H H 1 7.781 0.011 . 1 . . . . . 79 SER H . 51500 1 319 . 1 . 1 79 79 SER C C 13 174.968 0.006 . 1 . . . . . 79 SER C . 51500 1 320 . 1 . 1 79 79 SER CA C 13 56.394 0.058 . 1 . . . . . 79 SER CA . 51500 1 321 . 1 . 1 79 79 SER CB C 13 65.865 0.000 . 1 . . . . . 79 SER CB . 51500 1 322 . 1 . 1 79 79 SER N N 15 121.041 0.030 . 1 . . . . . 79 SER N . 51500 1 323 . 1 . 1 80 80 GLU H H 1 9.272 0.010 . 1 . . . . . 80 GLU H . 51500 1 324 . 1 . 1 80 80 GLU C C 13 176.546 0.004 . 1 . . . . . 80 GLU C . 51500 1 325 . 1 . 1 80 80 GLU CA C 13 58.985 0.007 . 1 . . . . . 80 GLU CA . 51500 1 326 . 1 . 1 80 80 GLU CB C 13 29.957 0.000 . 1 . . . . . 80 GLU CB . 51500 1 327 . 1 . 1 80 80 GLU CG C 13 36.341 0.000 . 1 . . . . . 80 GLU CG . 51500 1 328 . 1 . 1 80 80 GLU N N 15 131.866 0.043 . 1 . . . . . 80 GLU N . 51500 1 329 . 1 . 1 81 81 ALA H H 1 8.229 0.008 . 1 . . . . . 81 ALA H . 51500 1 330 . 1 . 1 81 81 ALA C C 13 178.976 0.000 . 1 . . . . . 81 ALA C . 51500 1 331 . 1 . 1 81 81 ALA CA C 13 53.682 0.066 . 1 . . . . . 81 ALA CA . 51500 1 332 . 1 . 1 81 81 ALA CB C 13 18.896 0.020 . 1 . . . . . 81 ALA CB . 51500 1 333 . 1 . 1 81 81 ALA N N 15 118.307 0.043 . 1 . . . . . 81 ALA N . 51500 1 334 . 1 . 1 82 82 GLU H H 1 7.365 0.004 . 1 . . . . . 82 GLU H . 51500 1 335 . 1 . 1 82 82 GLU C C 13 176.071 0.008 . 1 . . . . . 82 GLU C . 51500 1 336 . 1 . 1 82 82 GLU CA C 13 56.332 0.000 . 1 . . . . . 82 GLU CA . 51500 1 337 . 1 . 1 82 82 GLU CB C 13 32.744 0.000 . 1 . . . . . 82 GLU CB . 51500 1 338 . 1 . 1 82 82 GLU CG C 13 36.447 0.000 . 1 . . . . . 82 GLU CG . 51500 1 339 . 1 . 1 82 82 GLU N N 15 112.726 0.058 . 1 . . . . . 82 GLU N . 51500 1 340 . 1 . 1 83 83 GLN H H 1 7.625 0.008 . 1 . . . . . 83 GLN H . 51500 1 341 . 1 . 1 83 83 GLN C C 13 175.773 0.006 . 1 . . . . . 83 GLN C . 51500 1 342 . 1 . 1 83 83 GLN CA C 13 55.261 0.027 . 1 . . . . . 83 GLN CA . 51500 1 343 . 1 . 1 83 83 GLN N N 15 118.466 0.051 . 1 . . . . . 83 GLN N . 51500 1 344 . 1 . 1 84 84 THR H H 1 9.025 0.015 . 1 . . . . . 84 THR H . 51500 1 345 . 1 . 1 84 84 THR C C 13 175.687 0.007 . 1 . . . . . 84 THR C . 51500 1 346 . 1 . 1 84 84 THR CA C 13 60.849 0.000 . 1 . . . . . 84 THR CA . 51500 1 347 . 1 . 1 84 84 THR CB C 13 71.770 0.000 . 1 . . . . . 84 THR CB . 51500 1 348 . 1 . 1 84 84 THR CG2 C 13 22.046 0.000 . 1 . . . . . 84 THR CG2 . 51500 1 349 . 1 . 1 84 84 THR N N 15 113.804 0.051 . 1 . . . . . 84 THR N . 51500 1 350 . 1 . 1 85 85 ASP H H 1 9.026 0.008 . 1 . . . . . 85 ASP H . 51500 1 351 . 1 . 1 85 85 ASP C C 13 178.565 0.033 . 1 . . . . . 85 ASP C . 51500 1 352 . 1 . 1 85 85 ASP CA C 13 57.756 0.000 . 1 . . . . . 85 ASP CA . 51500 1 353 . 1 . 1 85 85 ASP CB C 13 40.442 0.000 . 1 . . . . . 85 ASP CB . 51500 1 354 . 1 . 1 85 85 ASP N N 15 120.962 0.017 . 1 . . . . . 85 ASP N . 51500 1 355 . 1 . 1 86 86 GLU H H 1 8.422 0.005 . 1 . . . . . 86 GLU H . 51500 1 356 . 1 . 1 86 86 GLU C C 13 179.259 0.006 . 1 . . . . . 86 GLU C . 51500 1 357 . 1 . 1 86 86 GLU CA C 13 60.156 0.000 . 1 . . . . . 86 GLU CA . 51500 1 358 . 1 . 1 86 86 GLU CB C 13 29.520 0.000 . 1 . . . . . 86 GLU CB . 51500 1 359 . 1 . 1 86 86 GLU CG C 13 36.938 0.000 . 1 . . . . . 86 GLU CG . 51500 1 360 . 1 . 1 86 86 GLU N N 15 119.778 0.043 . 1 . . . . . 86 GLU N . 51500 1 361 . 1 . 1 87 87 GLU H H 1 7.743 0.006 . 1 . . . . . 87 GLU H . 51500 1 362 . 1 . 1 87 87 GLU C C 13 179.127 0.005 . 1 . . . . . 87 GLU C . 51500 1 363 . 1 . 1 87 87 GLU CA C 13 59.512 0.036 . 1 . . . . . 87 GLU CA . 51500 1 364 . 1 . 1 87 87 GLU CB C 13 29.704 0.000 . 1 . . . . . 87 GLU CB . 51500 1 365 . 1 . 1 87 87 GLU N N 15 121.697 0.033 . 1 . . . . . 87 GLU N . 51500 1 366 . 1 . 1 88 88 LEU H H 1 8.438 0.015 . 1 . . . . . 88 LEU H . 51500 1 367 . 1 . 1 88 88 LEU C C 13 177.801 0.000 . 1 . . . . . 88 LEU C . 51500 1 368 . 1 . 1 88 88 LEU CA C 13 58.529 0.000 . 1 . . . . . 88 LEU CA . 51500 1 369 . 1 . 1 88 88 LEU CB C 13 40.550 0.000 . 1 . . . . . 88 LEU CB . 51500 1 370 . 1 . 1 88 88 LEU N N 15 121.022 0.049 . 1 . . . . . 88 LEU N . 51500 1 371 . 1 . 1 89 89 ARG H H 1 8.068 0.007 . 1 . . . . . 89 ARG H . 51500 1 372 . 1 . 1 89 89 ARG C C 13 178.870 0.020 . 1 . . . . . 89 ARG C . 51500 1 373 . 1 . 1 89 89 ARG CA C 13 60.340 0.000 . 1 . . . . . 89 ARG CA . 51500 1 374 . 1 . 1 89 89 ARG CB C 13 29.677 0.000 . 1 . . . . . 89 ARG CB . 51500 1 375 . 1 . 1 89 89 ARG N N 15 117.568 0.033 . 1 . . . . . 89 ARG N . 51500 1 376 . 1 . 1 90 90 GLU H H 1 7.760 0.008 . 1 . . . . . 90 GLU H . 51500 1 377 . 1 . 1 90 90 GLU C C 13 179.236 0.025 . 1 . . . . . 90 GLU C . 51500 1 378 . 1 . 1 90 90 GLU CA C 13 59.418 0.000 . 1 . . . . . 90 GLU CA . 51500 1 379 . 1 . 1 90 90 GLU CB C 13 29.430 0.000 . 1 . . . . . 90 GLU CB . 51500 1 380 . 1 . 1 90 90 GLU CG C 13 36.216 0.000 . 1 . . . . . 90 GLU CG . 51500 1 381 . 1 . 1 90 90 GLU N N 15 119.355 0.040 . 1 . . . . . 90 GLU N . 51500 1 382 . 1 . 1 91 91 GLU H H 1 8.187 0.001 . 1 . . . . . 91 GLU H . 51500 1 383 . 1 . 1 91 91 GLU C C 13 180.584 0.000 . 1 . . . . . 91 GLU C . 51500 1 384 . 1 . 1 91 91 GLU CA C 13 58.418 0.000 . 1 . . . . . 91 GLU CA . 51500 1 385 . 1 . 1 91 91 GLU CB C 13 27.991 0.000 . 1 . . . . . 91 GLU CB . 51500 1 386 . 1 . 1 91 91 GLU CG C 13 34.936 0.000 . 1 . . . . . 91 GLU CG . 51500 1 387 . 1 . 1 91 91 GLU N N 15 118.290 0.000 . 1 . . . . . 91 GLU N . 51500 1 388 . 1 . 1 92 92 ILE H H 1 8.576 0.000 . 1 . . . . . 92 ILE H . 51500 1 389 . 1 . 1 92 92 ILE C C 13 177.382 0.000 . 1 . . . . . 92 ILE C . 51500 1 390 . 1 . 1 92 92 ILE CA C 13 66.459 0.000 . 1 . . . . . 92 ILE CA . 51500 1 391 . 1 . 1 92 92 ILE CB C 13 37.861 0.000 . 1 . . . . . 92 ILE CB . 51500 1 392 . 1 . 1 92 92 ILE CG2 C 13 18.271 0.000 . 1 . . . . . 92 ILE CG2 . 51500 1 393 . 1 . 1 92 92 ILE N N 15 122.095 0.016 . 1 . . . . . 92 ILE N . 51500 1 394 . 1 . 1 93 93 HIS H H 1 7.701 0.011 . 1 . . . . . 93 HIS H . 51500 1 395 . 1 . 1 93 93 HIS C C 13 177.047 0.000 . 1 . . . . . 93 HIS C . 51500 1 396 . 1 . 1 93 93 HIS CA C 13 58.371 0.000 . 1 . . . . . 93 HIS CA . 51500 1 397 . 1 . 1 93 93 HIS CB C 13 29.369 0.008 . 1 . . . . . 93 HIS CB . 51500 1 398 . 1 . 1 93 93 HIS N N 15 115.920 0.013 . 1 . . . . . 93 HIS N . 51500 1 399 . 1 . 1 94 94 LYS H H 1 7.543 0.004 . 1 . . . . . 94 LYS H . 51500 1 400 . 1 . 1 94 94 LYS C C 13 176.458 0.000 . 1 . . . . . 94 LYS C . 51500 1 401 . 1 . 1 94 94 LYS CA C 13 57.481 0.000 . 1 . . . . . 94 LYS CA . 51500 1 402 . 1 . 1 94 94 LYS CB C 13 34.233 0.000 . 1 . . . . . 94 LYS CB . 51500 1 403 . 1 . 1 94 94 LYS CG C 13 25.577 0.000 . 1 . . . . . 94 LYS CG . 51500 1 404 . 1 . 1 94 94 LYS CD C 13 30.208 0.000 . 1 . . . . . 94 LYS CD . 51500 1 405 . 1 . 1 94 94 LYS N N 15 115.869 0.056 . 1 . . . . . 94 LYS N . 51500 1 406 . 1 . 1 95 95 ALA H H 1 7.422 0.009 . 1 . . . . . 95 ALA H . 51500 1 407 . 1 . 1 95 95 ALA C C 13 176.652 0.000 . 1 . . . . . 95 ALA C . 51500 1 408 . 1 . 1 95 95 ALA CA C 13 53.232 0.000 . 1 . . . . . 95 ALA CA . 51500 1 409 . 1 . 1 95 95 ALA CB C 13 19.759 0.045 . 1 . . . . . 95 ALA CB . 51500 1 410 . 1 . 1 95 95 ALA N N 15 122.598 0.047 . 1 . . . . . 95 ALA N . 51500 1 411 . 1 . 1 96 96 ASN H H 1 9.080 0.010 . 1 . . . . . 96 ASN H . 51500 1 412 . 1 . 1 96 96 ASN C C 13 173.793 0.000 . 1 . . . . . 96 ASN C . 51500 1 413 . 1 . 1 96 96 ASN CA C 13 53.553 0.000 . 1 . . . . . 96 ASN CA . 51500 1 414 . 1 . 1 96 96 ASN CB C 13 40.229 0.000 . 1 . . . . . 96 ASN CB . 51500 1 415 . 1 . 1 96 96 ASN N N 15 114.548 0.045 . 1 . . . . . 96 ASN N . 51500 1 416 . 1 . 1 97 97 VAL H H 1 7.769 0.005 . 1 . . . . . 97 VAL H . 51500 1 417 . 1 . 1 97 97 VAL C C 13 171.869 0.000 . 1 . . . . . 97 VAL C . 51500 1 418 . 1 . 1 97 97 VAL CA C 13 61.071 0.000 . 1 . . . . . 97 VAL CA . 51500 1 419 . 1 . 1 97 97 VAL CB C 13 33.248 0.000 . 1 . . . . . 97 VAL CB . 51500 1 420 . 1 . 1 97 97 VAL CG1 C 13 21.022 0.000 . 1 . . . . . 97 VAL CG1 . 51500 1 421 . 1 . 1 97 97 VAL N N 15 115.312 0.019 . 1 . . . . . 97 VAL N . 51500 1 422 . 1 . 1 98 98 VAL H H 1 8.106 0.007 . 1 . . . . . 98 VAL H . 51500 1 423 . 1 . 1 98 98 VAL C C 13 175.245 0.000 . 1 . . . . . 98 VAL C . 51500 1 424 . 1 . 1 98 98 VAL CA C 13 59.953 0.000 . 1 . . . . . 98 VAL CA . 51500 1 425 . 1 . 1 98 98 VAL CB C 13 34.942 0.000 . 1 . . . . . 98 VAL CB . 51500 1 426 . 1 . 1 98 98 VAL CG1 C 13 21.641 0.000 . 1 . . . . . 98 VAL CG1 . 51500 1 427 . 1 . 1 98 98 VAL N N 15 125.214 0.026 . 1 . . . . . 98 VAL N . 51500 1 428 . 1 . 1 99 99 CYS H H 1 9.115 0.004 . 1 . . . . . 99 CYS H . 51500 1 429 . 1 . 1 99 99 CYS C C 13 173.575 0.010 . 1 . . . . . 99 CYS C . 51500 1 430 . 1 . 1 99 99 CYS CA C 13 56.417 0.000 . 1 . . . . . 99 CYS CA . 51500 1 431 . 1 . 1 99 99 CYS CB C 13 28.765 0.000 . 1 . . . . . 99 CYS CB . 51500 1 432 . 1 . 1 99 99 CYS N N 15 124.365 0.049 . 1 . . . . . 99 CYS N . 51500 1 433 . 1 . 1 100 100 VAL H H 1 8.829 0.005 . 1 . . . . . 100 VAL H . 51500 1 434 . 1 . 1 100 100 VAL C C 13 173.344 0.000 . 1 . . . . . 100 VAL C . 51500 1 435 . 1 . 1 100 100 VAL CA C 13 60.956 0.000 . 1 . . . . . 100 VAL CA . 51500 1 436 . 1 . 1 100 100 VAL CB C 13 30.983 0.000 . 1 . . . . . 100 VAL CB . 51500 1 437 . 1 . 1 100 100 VAL CG1 C 13 21.455 0.000 . 2 . . . . . 100 VAL CG1 . 51500 1 438 . 1 . 1 100 100 VAL CG2 C 13 23.374 0.000 . 2 . . . . . 100 VAL CG2 . 51500 1 439 . 1 . 1 100 100 VAL N N 15 123.849 0.100 . 1 . . . . . 100 VAL N . 51500 1 440 . 1 . 1 101 101 VAL H H 1 8.906 0.009 . 1 . . . . . 101 VAL H . 51500 1 441 . 1 . 1 101 101 VAL C C 13 174.782 0.000 . 1 . . . . . 101 VAL C . 51500 1 442 . 1 . 1 101 101 VAL CA C 13 60.500 0.000 . 1 . . . . . 101 VAL CA . 51500 1 443 . 1 . 1 101 101 VAL CB C 13 32.418 0.000 . 1 . . . . . 101 VAL CB . 51500 1 444 . 1 . 1 101 101 VAL CG1 C 13 21.737 0.000 . 1 . . . . . 101 VAL CG1 . 51500 1 445 . 1 . 1 101 101 VAL N N 15 128.618 0.040 . 1 . . . . . 101 VAL N . 51500 1 446 . 1 . 1 102 102 TYR H H 1 9.403 0.008 . 1 . . . . . 102 TYR H . 51500 1 447 . 1 . 1 102 102 TYR C C 13 170.862 0.000 . 1 . . . . . 102 TYR C . 51500 1 448 . 1 . 1 102 102 TYR CA C 13 55.180 0.000 . 1 . . . . . 102 TYR CA . 51500 1 449 . 1 . 1 102 102 TYR CB C 13 39.617 0.000 . 1 . . . . . 102 TYR CB . 51500 1 450 . 1 . 1 102 102 TYR N N 15 124.381 0.044 . 1 . . . . . 102 TYR N . 51500 1 451 . 1 . 1 103 103 ASP H H 1 8.419 0.003 . 1 . . . . . 103 ASP H . 51500 1 452 . 1 . 1 103 103 ASP C C 13 177.821 0.000 . 1 . . . . . 103 ASP C . 51500 1 453 . 1 . 1 103 103 ASP CA C 13 54.994 0.000 . 1 . . . . . 103 ASP CA . 51500 1 454 . 1 . 1 103 103 ASP CB C 13 42.706 0.000 . 1 . . . . . 103 ASP CB . 51500 1 455 . 1 . 1 103 103 ASP N N 15 120.217 0.004 . 1 . . . . . 103 ASP N . 51500 1 456 . 1 . 1 104 104 VAL H H 1 8.316 0.005 . 1 . . . . . 104 VAL H . 51500 1 457 . 1 . 1 104 104 VAL C C 13 176.222 0.000 . 1 . . . . . 104 VAL C . 51500 1 458 . 1 . 1 104 104 VAL CA C 13 64.131 0.039 . 1 . . . . . 104 VAL CA . 51500 1 459 . 1 . 1 104 104 VAL CB C 13 31.059 0.000 . 1 . . . . . 104 VAL CB . 51500 1 460 . 1 . 1 104 104 VAL CG1 C 13 21.286 0.000 . 2 . . . . . 104 VAL CG1 . 51500 1 461 . 1 . 1 104 104 VAL CG2 C 13 19.894 0.000 . 2 . . . . . 104 VAL CG2 . 51500 1 462 . 1 . 1 104 104 VAL N N 15 118.229 0.041 . 1 . . . . . 104 VAL N . 51500 1 463 . 1 . 1 105 105 SER H H 1 9.223 0.007 . 1 . . . . . 105 SER H . 51500 1 464 . 1 . 1 105 105 SER C C 13 173.657 0.000 . 1 . . . . . 105 SER C . 51500 1 465 . 1 . 1 105 105 SER CA C 13 59.019 0.000 . 1 . . . . . 105 SER CA . 51500 1 466 . 1 . 1 105 105 SER CB C 13 65.221 0.000 . 1 . . . . . 105 SER CB . 51500 1 467 . 1 . 1 105 105 SER N N 15 116.128 0.039 . 1 . . . . . 105 SER N . 51500 1 468 . 1 . 1 106 106 GLU H H 1 7.824 0.003 . 1 . . . . . 106 GLU H . 51500 1 469 . 1 . 1 106 106 GLU C C 13 176.348 0.012 . 1 . . . . . 106 GLU C . 51500 1 470 . 1 . 1 106 106 GLU CA C 13 54.093 0.008 . 1 . . . . . 106 GLU CA . 51500 1 471 . 1 . 1 106 106 GLU CB C 13 31.333 0.014 . 1 . . . . . 106 GLU CB . 51500 1 472 . 1 . 1 106 106 GLU CG C 13 35.108 0.000 . 1 . . . . . 106 GLU CG . 51500 1 473 . 1 . 1 106 106 GLU N N 15 124.052 0.059 . 1 . . . . . 106 GLU N . 51500 1 474 . 1 . 1 107 107 GLU H H 1 9.423 0.003 . 1 . . . . . 107 GLU H . 51500 1 475 . 1 . 1 107 107 GLU C C 13 178.447 0.000 . 1 . . . . . 107 GLU C . 51500 1 476 . 1 . 1 107 107 GLU CA C 13 60.321 0.000 . 1 . . . . . 107 GLU CA . 51500 1 477 . 1 . 1 107 107 GLU CB C 13 29.045 0.012 . 1 . . . . . 107 GLU CB . 51500 1 478 . 1 . 1 107 107 GLU CG C 13 36.544 0.000 . 1 . . . . . 107 GLU CG . 51500 1 479 . 1 . 1 107 107 GLU N N 15 129.519 0.033 . 1 . . . . . 107 GLU N . 51500 1 480 . 1 . 1 108 108 ALA H H 1 9.487 0.009 . 1 . . . . . 108 ALA H . 51500 1 481 . 1 . 1 108 108 ALA C C 13 180.654 0.000 . 1 . . . . . 108 ALA C . 51500 1 482 . 1 . 1 108 108 ALA CA C 13 55.657 0.032 . 1 . . . . . 108 ALA CA . 51500 1 483 . 1 . 1 108 108 ALA CB C 13 18.546 0.004 . 1 . . . . . 108 ALA CB . 51500 1 484 . 1 . 1 108 108 ALA N N 15 123.649 0.009 . 1 . . . . . 108 ALA N . 51500 1 485 . 1 . 1 109 109 THR H H 1 8.170 0.002 . 1 . . . . . 109 THR H . 51500 1 486 . 1 . 1 109 109 THR C C 13 175.474 0.000 . 1 . . . . . 109 THR C . 51500 1 487 . 1 . 1 109 109 THR CA C 13 64.460 0.000 . 1 . . . . . 109 THR CA . 51500 1 488 . 1 . 1 109 109 THR CB C 13 69.942 0.000 . 1 . . . . . 109 THR CB . 51500 1 489 . 1 . 1 109 109 THR CG2 C 13 22.542 0.000 . 1 . . . . . 109 THR CG2 . 51500 1 490 . 1 . 1 109 109 THR N N 15 106.216 0.006 . 1 . . . . . 109 THR N . 51500 1 491 . 1 . 1 110 110 ILE H H 1 7.324 0.008 . 1 . . . . . 110 ILE H . 51500 1 492 . 1 . 1 110 110 ILE C C 13 178.516 0.028 . 1 . . . . . 110 ILE C . 51500 1 493 . 1 . 1 110 110 ILE CA C 13 64.507 0.000 . 1 . . . . . 110 ILE CA . 51500 1 494 . 1 . 1 110 110 ILE CB C 13 37.857 0.034 . 1 . . . . . 110 ILE CB . 51500 1 495 . 1 . 1 110 110 ILE CG2 C 13 17.737 0.000 . 1 . . . . . 110 ILE CG2 . 51500 1 496 . 1 . 1 110 110 ILE N N 15 122.855 0.044 . 1 . . . . . 110 ILE N . 51500 1 497 . 1 . 1 111 111 GLU H H 1 7.655 0.009 . 1 . . . . . 111 GLU H . 51500 1 498 . 1 . 1 111 111 GLU C C 13 179.562 0.029 . 1 . . . . . 111 GLU C . 51500 1 499 . 1 . 1 111 111 GLU CA C 13 59.517 0.046 . 1 . . . . . 111 GLU CA . 51500 1 500 . 1 . 1 111 111 GLU CB C 13 29.151 0.030 . 1 . . . . . 111 GLU CB . 51500 1 501 . 1 . 1 111 111 GLU CG C 13 35.651 0.000 . 1 . . . . . 111 GLU CG . 51500 1 502 . 1 . 1 111 111 GLU N N 15 121.282 0.039 . 1 . . . . . 111 GLU N . 51500 1 503 . 1 . 1 112 112 LYS H H 1 7.441 0.012 . 1 . . . . . 112 LYS H . 51500 1 504 . 1 . 1 112 112 LYS C C 13 179.801 0.015 . 1 . . . . . 112 LYS C . 51500 1 505 . 1 . 1 112 112 LYS CA C 13 57.073 0.000 . 1 . . . . . 112 LYS CA . 51500 1 506 . 1 . 1 112 112 LYS CB C 13 33.409 0.000 . 1 . . . . . 112 LYS CB . 51500 1 507 . 1 . 1 112 112 LYS N N 15 112.998 0.030 . 1 . . . . . 112 LYS N . 51500 1 508 . 1 . 1 113 113 ILE H H 1 8.063 0.014 . 1 . . . . . 113 ILE H . 51500 1 509 . 1 . 1 113 113 ILE C C 13 175.653 0.013 . 1 . . . . . 113 ILE C . 51500 1 510 . 1 . 1 113 113 ILE CA C 13 67.128 0.014 . 1 . . . . . 113 ILE CA . 51500 1 511 . 1 . 1 113 113 ILE CB C 13 37.029 0.000 . 1 . . . . . 113 ILE CB . 51500 1 512 . 1 . 1 113 113 ILE N N 15 121.442 0.049 . 1 . . . . . 113 ILE N . 51500 1 513 . 1 . 1 114 114 ARG H H 1 7.057 0.010 . 1 . . . . . 114 ARG H . 51500 1 514 . 1 . 1 114 114 ARG C C 13 176.715 0.003 . 1 . . . . . 114 ARG C . 51500 1 515 . 1 . 1 114 114 ARG CA C 13 58.702 0.060 . 1 . . . . . 114 ARG CA . 51500 1 516 . 1 . 1 114 114 ARG CB C 13 31.735 0.039 . 1 . . . . . 114 ARG CB . 51500 1 517 . 1 . 1 114 114 ARG CD C 13 43.736 0.000 . 1 . . . . . 114 ARG CD . 51500 1 518 . 1 . 1 114 114 ARG N N 15 115.829 0.042 . 1 . . . . . 114 ARG N . 51500 1 519 . 1 . 1 115 115 THR H H 1 8.123 0.009 . 1 . . . . . 115 THR H . 51500 1 520 . 1 . 1 115 115 THR C C 13 175.028 0.010 . 1 . . . . . 115 THR C . 51500 1 521 . 1 . 1 115 115 THR CA C 13 63.178 0.027 . 1 . . . . . 115 THR CA . 51500 1 522 . 1 . 1 115 115 THR CB C 13 69.420 0.060 . 1 . . . . . 115 THR CB . 51500 1 523 . 1 . 1 115 115 THR CG2 C 13 22.007 0.000 . 1 . . . . . 115 THR CG2 . 51500 1 524 . 1 . 1 115 115 THR N N 15 105.257 0.060 . 1 . . . . . 115 THR N . 51500 1 525 . 1 . 1 116 116 LYS H H 1 7.880 0.006 . 1 . . . . . 116 LYS H . 51500 1 526 . 1 . 1 116 116 LYS C C 13 177.278 0.052 . 1 . . . . . 116 LYS C . 51500 1 527 . 1 . 1 116 116 LYS CA C 13 57.477 0.003 . 1 . . . . . 116 LYS CA . 51500 1 528 . 1 . 1 116 116 LYS CB C 13 35.270 0.000 . 1 . . . . . 116 LYS CB . 51500 1 529 . 1 . 1 116 116 LYS N N 15 120.994 0.036 . 1 . . . . . 116 LYS N . 51500 1 530 . 1 . 1 117 117 TRP H H 1 7.764 0.006 . 1 . . . . . 117 TRP H . 51500 1 531 . 1 . 1 117 117 TRP HE1 H 1 9.176 0.000 . 1 . . . . . 117 TRP HE1 . 51500 1 532 . 1 . 1 117 117 TRP C C 13 176.554 0.000 . 1 . . . . . 117 TRP C . 51500 1 533 . 1 . 1 117 117 TRP CA C 13 61.939 0.000 . 1 . . . . . 117 TRP CA . 51500 1 534 . 1 . 1 117 117 TRP CB C 13 30.906 0.000 . 1 . . . . . 117 TRP CB . 51500 1 535 . 1 . 1 117 117 TRP N N 15 118.339 0.048 . 1 . . . . . 117 TRP N . 51500 1 536 . 1 . 1 117 117 TRP NE1 N 15 129.586 0.000 . 1 . . . . . 117 TRP NE1 . 51500 1 537 . 1 . 1 118 118 ILE H H 1 8.672 0.011 . 1 . . . . . 118 ILE H . 51500 1 538 . 1 . 1 118 118 ILE C C 13 176.191 0.000 . 1 . . . . . 118 ILE C . 51500 1 539 . 1 . 1 118 118 ILE CA C 13 67.635 0.000 . 1 . . . . . 118 ILE CA . 51500 1 540 . 1 . 1 118 118 ILE CB C 13 33.615 0.000 . 1 . . . . . 118 ILE CB . 51500 1 541 . 1 . 1 118 118 ILE N N 15 116.493 0.034 . 1 . . . . . 118 ILE N . 51500 1 542 . 1 . 1 119 119 PRO C C 13 178.754 0.000 . 1 . . . . . 119 PRO C . 51500 1 543 . 1 . 1 119 119 PRO CA C 13 65.737 0.000 . 1 . . . . . 119 PRO CA . 51500 1 544 . 1 . 1 119 119 PRO CB C 13 30.802 0.000 . 1 . . . . . 119 PRO CB . 51500 1 545 . 1 . 1 119 119 PRO CG C 13 28.672 0.000 . 1 . . . . . 119 PRO CG . 51500 1 546 . 1 . 1 120 120 LEU H H 1 7.187 0.010 . 1 . . . . . 120 LEU H . 51500 1 547 . 1 . 1 120 120 LEU C C 13 178.499 0.011 . 1 . . . . . 120 LEU C . 51500 1 548 . 1 . 1 120 120 LEU CA C 13 58.038 0.000 . 1 . . . . . 120 LEU CA . 51500 1 549 . 1 . 1 120 120 LEU CB C 13 42.755 0.000 . 1 . . . . . 120 LEU CB . 51500 1 550 . 1 . 1 120 120 LEU CD1 C 13 24.987 0.000 . 1 . . . . . 120 LEU CD1 . 51500 1 551 . 1 . 1 120 120 LEU N N 15 117.163 0.028 . 1 . . . . . 120 LEU N . 51500 1 552 . 1 . 1 121 121 VAL H H 1 7.803 0.013 . 1 . . . . . 121 VAL H . 51500 1 553 . 1 . 1 121 121 VAL C C 13 176.685 0.037 . 1 . . . . . 121 VAL C . 51500 1 554 . 1 . 1 121 121 VAL CA C 13 66.118 0.000 . 1 . . . . . 121 VAL CA . 51500 1 555 . 1 . 1 121 121 VAL CB C 13 31.645 0.000 . 1 . . . . . 121 VAL CB . 51500 1 556 . 1 . 1 121 121 VAL CG1 C 13 22.991 0.000 . 1 . . . . . 121 VAL CG1 . 51500 1 557 . 1 . 1 121 121 VAL N N 15 118.192 0.038 . 1 . . . . . 121 VAL N . 51500 1 558 . 1 . 1 122 122 ASN H H 1 8.230 0.005 . 1 . . . . . 122 ASN H . 51500 1 559 . 1 . 1 122 122 ASN C C 13 176.807 0.028 . 1 . . . . . 122 ASN C . 51500 1 560 . 1 . 1 122 122 ASN CA C 13 53.441 0.043 . 1 . . . . . 122 ASN CA . 51500 1 561 . 1 . 1 122 122 ASN CB C 13 39.737 0.000 . 1 . . . . . 122 ASN CB . 51500 1 562 . 1 . 1 122 122 ASN N N 15 115.202 0.044 . 1 . . . . . 122 ASN N . 51500 1 563 . 1 . 1 123 123 GLY H H 1 7.959 0.006 . 1 . . . . . 123 GLY H . 51500 1 564 . 1 . 1 123 123 GLY C C 13 175.162 0.019 . 1 . . . . . 123 GLY C . 51500 1 565 . 1 . 1 123 123 GLY CA C 13 46.318 0.011 . 1 . . . . . 123 GLY CA . 51500 1 566 . 1 . 1 123 123 GLY N N 15 108.437 0.029 . 1 . . . . . 123 GLY N . 51500 1 567 . 1 . 1 124 124 GLY H H 1 8.395 0.002 . 1 . . . . . 124 GLY H . 51500 1 568 . 1 . 1 124 124 GLY C C 13 174.597 0.000 . 1 . . . . . 124 GLY C . 51500 1 569 . 1 . 1 124 124 GLY CA C 13 45.611 0.017 . 1 . . . . . 124 GLY CA . 51500 1 570 . 1 . 1 124 124 GLY N N 15 108.485 0.013 . 1 . . . . . 124 GLY N . 51500 1 571 . 1 . 1 125 125 THR H H 1 7.904 0.013 . 1 . . . . . 125 THR H . 51500 1 572 . 1 . 1 125 125 THR C C 13 174.986 0.038 . 1 . . . . . 125 THR C . 51500 1 573 . 1 . 1 125 125 THR CA C 13 62.007 0.000 . 1 . . . . . 125 THR CA . 51500 1 574 . 1 . 1 125 125 THR CB C 13 69.706 0.000 . 1 . . . . . 125 THR CB . 51500 1 575 . 1 . 1 125 125 THR CG2 C 13 21.812 0.000 . 1 . . . . . 125 THR CG2 . 51500 1 576 . 1 . 1 125 125 THR N N 15 113.509 0.040 . 1 . . . . . 125 THR N . 51500 1 577 . 1 . 1 126 126 THR H H 1 8.251 0.008 . 1 . . . . . 126 THR H . 51500 1 578 . 1 . 1 126 126 THR C C 13 174.597 0.000 . 1 . . . . . 126 THR C . 51500 1 579 . 1 . 1 126 126 THR CA C 13 62.021 0.000 . 1 . . . . . 126 THR CA . 51500 1 580 . 1 . 1 126 126 THR CB C 13 69.645 0.000 . 1 . . . . . 126 THR CB . 51500 1 581 . 1 . 1 126 126 THR CG2 C 13 21.816 0.000 . 1 . . . . . 126 THR CG2 . 51500 1 582 . 1 . 1 126 126 THR N N 15 115.596 0.058 . 1 . . . . . 126 THR N . 51500 1 583 . 1 . 1 127 127 GLN H H 1 8.266 0.010 . 1 . . . . . 127 GLN H . 51500 1 584 . 1 . 1 127 127 GLN C C 13 175.499 0.003 . 1 . . . . . 127 GLN C . 51500 1 585 . 1 . 1 127 127 GLN CA C 13 55.990 0.070 . 1 . . . . . 127 GLN CA . 51500 1 586 . 1 . 1 127 127 GLN CB C 13 29.715 0.076 . 1 . . . . . 127 GLN CB . 51500 1 587 . 1 . 1 127 127 GLN CG C 13 33.887 0.000 . 1 . . . . . 127 GLN CG . 51500 1 588 . 1 . 1 127 127 GLN N N 15 121.252 0.033 . 1 . . . . . 127 GLN N . 51500 1 589 . 1 . 1 128 128 GLY H H 1 8.144 0.006 . 1 . . . . . 128 GLY H . 51500 1 590 . 1 . 1 128 128 GLY C C 13 170.942 0.000 . 1 . . . . . 128 GLY C . 51500 1 591 . 1 . 1 128 128 GLY CA C 13 44.506 0.000 . 1 . . . . . 128 GLY CA . 51500 1 592 . 1 . 1 128 128 GLY N N 15 109.910 0.023 . 1 . . . . . 128 GLY N . 51500 1 593 . 1 . 1 129 129 PRO C C 13 176.634 0.000 . 1 . . . . . 129 PRO C . 51500 1 594 . 1 . 1 129 129 PRO CA C 13 62.950 0.020 . 1 . . . . . 129 PRO CA . 51500 1 595 . 1 . 1 129 129 PRO CB C 13 32.202 0.000 . 1 . . . . . 129 PRO CB . 51500 1 596 . 1 . 1 129 129 PRO CG C 13 27.389 0.000 . 1 . . . . . 129 PRO CG . 51500 1 597 . 1 . 1 129 129 PRO CD C 13 49.677 0.000 . 1 . . . . . 129 PRO CD . 51500 1 598 . 1 . 1 130 130 ARG H H 1 8.425 0.005 . 1 . . . . . 130 ARG H . 51500 1 599 . 1 . 1 130 130 ARG C C 13 176.102 0.004 . 1 . . . . . 130 ARG C . 51500 1 600 . 1 . 1 130 130 ARG CA C 13 55.881 0.052 . 1 . . . . . 130 ARG CA . 51500 1 601 . 1 . 1 130 130 ARG CB C 13 31.754 0.032 . 1 . . . . . 130 ARG CB . 51500 1 602 . 1 . 1 130 130 ARG CG C 13 27.655 0.000 . 1 . . . . . 130 ARG CG . 51500 1 603 . 1 . 1 130 130 ARG CD C 13 43.550 0.000 . 1 . . . . . 130 ARG CD . 51500 1 604 . 1 . 1 130 130 ARG N N 15 121.806 0.029 . 1 . . . . . 130 ARG N . 51500 1 605 . 1 . 1 131 131 VAL H H 1 8.637 0.012 . 1 . . . . . 131 VAL H . 51500 1 606 . 1 . 1 131 131 VAL C C 13 173.371 0.000 . 1 . . . . . 131 VAL C . 51500 1 607 . 1 . 1 131 131 VAL CA C 13 59.883 0.000 . 1 . . . . . 131 VAL CA . 51500 1 608 . 1 . 1 131 131 VAL CB C 13 33.315 0.000 . 1 . . . . . 131 VAL CB . 51500 1 609 . 1 . 1 131 131 VAL N N 15 125.272 0.052 . 1 . . . . . 131 VAL N . 51500 1 610 . 1 . 1 132 132 PRO C C 13 174.921 0.000 . 1 . . . . . 132 PRO C . 51500 1 611 . 1 . 1 132 132 PRO CA C 13 62.701 0.000 . 1 . . . . . 132 PRO CA . 51500 1 612 . 1 . 1 132 132 PRO CB C 13 32.846 0.000 . 1 . . . . . 132 PRO CB . 51500 1 613 . 1 . 1 133 133 ILE H H 1 7.640 0.010 . 1 . . . . . 133 ILE H . 51500 1 614 . 1 . 1 133 133 ILE C C 13 175.466 0.021 . 1 . . . . . 133 ILE C . 51500 1 615 . 1 . 1 133 133 ILE CA C 13 54.044 0.000 . 1 . . . . . 133 ILE CA . 51500 1 616 . 1 . 1 133 133 ILE CB C 13 41.997 0.000 . 1 . . . . . 133 ILE CB . 51500 1 617 . 1 . 1 133 133 ILE CG2 C 13 18.396 0.000 . 1 . . . . . 133 ILE CG2 . 51500 1 618 . 1 . 1 133 133 ILE CD1 C 13 13.833 0.000 . 1 . . . . . 133 ILE CD1 . 51500 1 619 . 1 . 1 133 133 ILE N N 15 118.491 0.026 . 1 . . . . . 133 ILE N . 51500 1 620 . 1 . 1 134 134 ILE H H 1 8.783 0.006 . 1 . . . . . 134 ILE H . 51500 1 621 . 1 . 1 134 134 ILE C C 13 175.903 0.000 . 1 . . . . . 134 ILE C . 51500 1 622 . 1 . 1 134 134 ILE CA C 13 58.650 0.000 . 1 . . . . . 134 ILE CA . 51500 1 623 . 1 . 1 134 134 ILE CB C 13 39.119 0.055 . 1 . . . . . 134 ILE CB . 51500 1 624 . 1 . 1 134 134 ILE CG2 C 13 16.793 0.000 . 1 . . . . . 134 ILE CG2 . 51500 1 625 . 1 . 1 134 134 ILE N N 15 126.109 0.048 . 1 . . . . . 134 ILE N . 51500 1 626 . 1 . 1 135 135 LEU H H 1 8.300 0.011 . 1 . . . . . 135 LEU H . 51500 1 627 . 1 . 1 135 135 LEU C C 13 175.251 0.003 . 1 . . . . . 135 LEU C . 51500 1 628 . 1 . 1 135 135 LEU CA C 13 53.898 0.052 . 1 . . . . . 135 LEU CA . 51500 1 629 . 1 . 1 135 135 LEU CB C 13 43.440 0.018 . 1 . . . . . 135 LEU CB . 51500 1 630 . 1 . 1 135 135 LEU N N 15 126.775 0.041 . 1 . . . . . 135 LEU N . 51500 1 631 . 1 . 1 136 136 VAL H H 1 8.822 0.008 . 1 . . . . . 136 VAL H . 51500 1 632 . 1 . 1 136 136 VAL C C 13 172.727 0.011 . 1 . . . . . 136 VAL C . 51500 1 633 . 1 . 1 136 136 VAL CA C 13 60.062 0.000 . 1 . . . . . 136 VAL CA . 51500 1 634 . 1 . 1 136 136 VAL CB C 13 34.626 0.000 . 1 . . . . . 136 VAL CB . 51500 1 635 . 1 . 1 136 136 VAL CG1 C 13 22.149 0.000 . 1 . . . . . 136 VAL CG1 . 51500 1 636 . 1 . 1 136 136 VAL N N 15 123.586 0.053 . 1 . . . . . 136 VAL N . 51500 1 637 . 1 . 1 137 137 GLY H H 1 9.080 0.015 . 1 . . . . . 137 GLY H . 51500 1 638 . 1 . 1 137 137 GLY C C 13 171.829 0.000 . 1 . . . . . 137 GLY C . 51500 1 639 . 1 . 1 137 137 GLY CA C 13 45.192 0.003 . 1 . . . . . 137 GLY CA . 51500 1 640 . 1 . 1 137 137 GLY N N 15 116.008 0.053 . 1 . . . . . 137 GLY N . 51500 1 641 . 1 . 1 138 138 ASN H H 1 8.574 0.009 . 1 . . . . . 138 ASN H . 51500 1 642 . 1 . 1 138 138 ASN C C 13 174.139 0.043 . 1 . . . . . 138 ASN C . 51500 1 643 . 1 . 1 138 138 ASN CA C 13 51.481 0.000 . 1 . . . . . 138 ASN CA . 51500 1 644 . 1 . 1 138 138 ASN CB C 13 41.695 0.000 . 1 . . . . . 138 ASN CB . 51500 1 645 . 1 . 1 138 138 ASN N N 15 122.225 0.024 . 1 . . . . . 138 ASN N . 51500 1 646 . 1 . 1 139 139 LYS H H 1 7.461 0.003 . 1 . . . . . 139 LYS H . 51500 1 647 . 1 . 1 139 139 LYS C C 13 178.509 0.015 . 1 . . . . . 139 LYS C . 51500 1 648 . 1 . 1 139 139 LYS CA C 13 56.727 0.000 . 1 . . . . . 139 LYS CA . 51500 1 649 . 1 . 1 139 139 LYS CB C 13 29.244 0.000 . 1 . . . . . 139 LYS CB . 51500 1 650 . 1 . 1 139 139 LYS N N 15 110.612 0.016 . 1 . . . . . 139 LYS N . 51500 1 651 . 1 . 1 140 140 SER H H 1 8.922 0.003 . 1 . . . . . 140 SER H . 51500 1 652 . 1 . 1 140 140 SER C C 13 174.625 0.000 . 1 . . . . . 140 SER C . 51500 1 653 . 1 . 1 140 140 SER CA C 13 61.227 0.000 . 1 . . . . . 140 SER CA . 51500 1 654 . 1 . 1 140 140 SER CB C 13 62.692 0.049 . 1 . . . . . 140 SER CB . 51500 1 655 . 1 . 1 140 140 SER N N 15 114.053 0.037 . 1 . . . . . 140 SER N . 51500 1 656 . 1 . 1 141 141 ASP H H 1 8.521 0.012 . 1 . . . . . 141 ASP H . 51500 1 657 . 1 . 1 141 141 ASP C C 13 176.014 0.021 . 1 . . . . . 141 ASP C . 51500 1 658 . 1 . 1 141 141 ASP CA C 13 54.790 0.071 . 1 . . . . . 141 ASP CA . 51500 1 659 . 1 . 1 141 141 ASP CB C 13 40.887 0.043 . 1 . . . . . 141 ASP CB . 51500 1 660 . 1 . 1 141 141 ASP N N 15 116.520 0.041 . 1 . . . . . 141 ASP N . 51500 1 661 . 1 . 1 142 142 LEU H H 1 8.069 0.010 . 1 . . . . . 142 LEU H . 51500 1 662 . 1 . 1 142 142 LEU C C 13 176.865 0.009 . 1 . . . . . 142 LEU C . 51500 1 663 . 1 . 1 142 142 LEU CA C 13 55.051 0.070 . 1 . . . . . 142 LEU CA . 51500 1 664 . 1 . 1 142 142 LEU CB C 13 42.604 0.078 . 1 . . . . . 142 LEU CB . 51500 1 665 . 1 . 1 142 142 LEU CG C 13 26.694 0.000 . 1 . . . . . 142 LEU CG . 51500 1 666 . 1 . 1 142 142 LEU N N 15 117.951 0.074 . 1 . . . . . 142 LEU N . 51500 1 667 . 1 . 1 143 143 ARG H H 1 7.391 0.011 . 1 . . . . . 143 ARG H . 51500 1 668 . 1 . 1 143 143 ARG C C 13 174.552 0.006 . 1 . . . . . 143 ARG C . 51500 1 669 . 1 . 1 143 143 ARG CA C 13 54.593 0.000 . 1 . . . . . 143 ARG CA . 51500 1 670 . 1 . 1 143 143 ARG CB C 13 33.982 0.061 . 1 . . . . . 143 ARG CB . 51500 1 671 . 1 . 1 143 143 ARG N N 15 118.532 0.044 . 1 . . . . . 143 ARG N . 51500 1 672 . 1 . 1 144 144 SER H H 1 8.547 0.005 . 1 . . . . . 144 SER H . 51500 1 673 . 1 . 1 144 144 SER C C 13 175.175 0.000 . 1 . . . . . 144 SER C . 51500 1 674 . 1 . 1 144 144 SER CA C 13 58.080 0.029 . 1 . . . . . 144 SER CA . 51500 1 675 . 1 . 1 144 144 SER CB C 13 63.673 0.000 . 1 . . . . . 144 SER CB . 51500 1 676 . 1 . 1 144 144 SER N N 15 117.786 0.047 . 1 . . . . . 144 SER N . 51500 1 677 . 1 . 1 145 145 GLY H H 1 8.260 0.003 . 1 . . . . . 145 GLY H . 51500 1 678 . 1 . 1 145 145 GLY C C 13 173.071 0.000 . 1 . . . . . 145 GLY C . 51500 1 679 . 1 . 1 145 145 GLY CA C 13 44.534 0.014 . 1 . . . . . 145 GLY CA . 51500 1 680 . 1 . 1 145 145 GLY N N 15 111.882 0.052 . 1 . . . . . 145 GLY N . 51500 1 681 . 1 . 1 146 146 SER H H 1 8.393 0.005 . 1 . . . . . 146 SER H . 51500 1 682 . 1 . 1 146 146 SER C C 13 175.827 0.000 . 1 . . . . . 146 SER C . 51500 1 683 . 1 . 1 146 146 SER CA C 13 57.383 0.016 . 1 . . . . . 146 SER CA . 51500 1 684 . 1 . 1 146 146 SER CB C 13 64.340 0.016 . 1 . . . . . 146 SER CB . 51500 1 685 . 1 . 1 146 146 SER N N 15 113.991 0.019 . 1 . . . . . 146 SER N . 51500 1 686 . 1 . 1 147 147 SER H H 1 9.899 0.012 . 1 . . . . . 147 SER H . 51500 1 687 . 1 . 1 147 147 SER C C 13 175.458 0.000 . 1 . . . . . 147 SER C . 51500 1 688 . 1 . 1 147 147 SER CA C 13 58.690 0.017 . 1 . . . . . 147 SER CA . 51500 1 689 . 1 . 1 147 147 SER CB C 13 64.487 0.000 . 1 . . . . . 147 SER CB . 51500 1 690 . 1 . 1 147 147 SER N N 15 123.336 0.030 . 1 . . . . . 147 SER N . 51500 1 691 . 1 . 1 148 148 MET H H 1 8.372 0.005 . 1 . . . . . 148 MET H . 51500 1 692 . 1 . 1 148 148 MET C C 13 177.957 0.004 . 1 . . . . . 148 MET C . 51500 1 693 . 1 . 1 148 148 MET CA C 13 57.342 0.002 . 1 . . . . . 148 MET CA . 51500 1 694 . 1 . 1 148 148 MET CB C 13 31.445 0.048 . 1 . . . . . 148 MET CB . 51500 1 695 . 1 . 1 148 148 MET CG C 13 32.519 0.000 . 1 . . . . . 148 MET CG . 51500 1 696 . 1 . 1 148 148 MET N N 15 122.053 0.044 . 1 . . . . . 148 MET N . 51500 1 697 . 1 . 1 149 149 GLU H H 1 8.700 0.004 . 1 . . . . . 149 GLU H . 51500 1 698 . 1 . 1 149 149 GLU C C 13 178.151 0.000 . 1 . . . . . 149 GLU C . 51500 1 699 . 1 . 1 149 149 GLU CA C 13 59.769 0.000 . 1 . . . . . 149 GLU CA . 51500 1 700 . 1 . 1 149 149 GLU CB C 13 29.057 0.000 . 1 . . . . . 149 GLU CB . 51500 1 701 . 1 . 1 149 149 GLU CG C 13 36.721 0.000 . 1 . . . . . 149 GLU CG . 51500 1 702 . 1 . 1 149 149 GLU N N 15 118.016 0.022 . 1 . . . . . 149 GLU N . 51500 1 703 . 1 . 1 150 150 ALA H H 1 7.794 0.005 . 1 . . . . . 150 ALA H . 51500 1 704 . 1 . 1 150 150 ALA C C 13 178.529 0.015 . 1 . . . . . 150 ALA C . 51500 1 705 . 1 . 1 150 150 ALA CA C 13 53.674 0.003 . 1 . . . . . 150 ALA CA . 51500 1 706 . 1 . 1 150 150 ALA CB C 13 19.210 0.028 . 1 . . . . . 150 ALA CB . 51500 1 707 . 1 . 1 150 150 ALA N N 15 119.270 0.044 . 1 . . . . . 150 ALA N . 51500 1 708 . 1 . 1 151 151 VAL H H 1 7.433 0.005 . 1 . . . . . 151 VAL H . 51500 1 709 . 1 . 1 151 151 VAL C C 13 177.428 0.017 . 1 . . . . . 151 VAL C . 51500 1 710 . 1 . 1 151 151 VAL CA C 13 62.176 0.000 . 1 . . . . . 151 VAL CA . 51500 1 711 . 1 . 1 151 151 VAL CB C 13 32.971 0.000 . 1 . . . . . 151 VAL CB . 51500 1 712 . 1 . 1 151 151 VAL CG1 C 13 22.067 0.000 . 2 . . . . . 151 VAL CG1 . 51500 1 713 . 1 . 1 151 151 VAL CG2 C 13 20.555 0.000 . 2 . . . . . 151 VAL CG2 . 51500 1 714 . 1 . 1 151 151 VAL N N 15 110.051 0.030 . 1 . . . . . 151 VAL N . 51500 1 715 . 1 . 1 152 152 LEU H H 1 8.029 0.007 . 1 . . . . . 152 LEU H . 51500 1 716 . 1 . 1 152 152 LEU C C 13 176.708 0.000 . 1 . . . . . 152 LEU C . 51500 1 717 . 1 . 1 152 152 LEU CA C 13 59.955 0.000 . 1 . . . . . 152 LEU CA . 51500 1 718 . 1 . 1 152 152 LEU CB C 13 39.196 0.000 . 1 . . . . . 152 LEU CB . 51500 1 719 . 1 . 1 152 152 LEU N N 15 124.787 0.019 . 1 . . . . . 152 LEU N . 51500 1 720 . 1 . 1 153 153 PRO C C 13 179.513 0.000 . 1 . . . . . 153 PRO C . 51500 1 721 . 1 . 1 153 153 PRO CA C 13 65.606 0.000 . 1 . . . . . 153 PRO CA . 51500 1 722 . 1 . 1 153 153 PRO CB C 13 31.520 0.000 . 1 . . . . . 153 PRO CB . 51500 1 723 . 1 . 1 154 154 ILE H H 1 7.258 0.006 . 1 . . . . . 154 ILE H . 51500 1 724 . 1 . 1 154 154 ILE C C 13 177.615 0.013 . 1 . . . . . 154 ILE C . 51500 1 725 . 1 . 1 154 154 ILE CA C 13 65.327 0.000 . 1 . . . . . 154 ILE CA . 51500 1 726 . 1 . 1 154 154 ILE CB C 13 38.397 0.000 . 1 . . . . . 154 ILE CB . 51500 1 727 . 1 . 1 154 154 ILE CG2 C 13 18.105 0.000 . 1 . . . . . 154 ILE CG2 . 51500 1 728 . 1 . 1 154 154 ILE CD1 C 13 14.087 0.000 . 1 . . . . . 154 ILE CD1 . 51500 1 729 . 1 . 1 154 154 ILE N N 15 117.697 0.051 . 1 . . . . . 154 ILE N . 51500 1 730 . 1 . 1 155 155 MET H H 1 7.867 0.009 . 1 . . . . . 155 MET H . 51500 1 731 . 1 . 1 155 155 MET C C 13 177.653 0.000 . 1 . . . . . 155 MET C . 51500 1 732 . 1 . 1 155 155 MET CA C 13 59.269 0.049 . 1 . . . . . 155 MET CA . 51500 1 733 . 1 . 1 155 155 MET CB C 13 32.553 0.000 . 1 . . . . . 155 MET CB . 51500 1 734 . 1 . 1 155 155 MET CG C 13 32.852 0.000 . 1 . . . . . 155 MET CG . 51500 1 735 . 1 . 1 155 155 MET CE C 13 19.889 0.000 . 1 . . . . . 155 MET CE . 51500 1 736 . 1 . 1 155 155 MET N N 15 118.320 0.036 . 1 . . . . . 155 MET N . 51500 1 737 . 1 . 1 156 156 SER H H 1 7.822 0.005 . 1 . . . . . 156 SER H . 51500 1 738 . 1 . 1 156 156 SER C C 13 175.070 0.000 . 1 . . . . . 156 SER C . 51500 1 739 . 1 . 1 156 156 SER CA C 13 60.663 0.068 . 1 . . . . . 156 SER CA . 51500 1 740 . 1 . 1 156 156 SER CB C 13 63.104 0.001 . 1 . . . . . 156 SER CB . 51500 1 741 . 1 . 1 156 156 SER N N 15 110.985 0.031 . 1 . . . . . 156 SER N . 51500 1 742 . 1 . 1 157 157 GLN H H 1 7.262 0.004 . 1 . . . . . 157 GLN H . 51500 1 743 . 1 . 1 157 157 GLN C C 13 175.247 0.035 . 1 . . . . . 157 GLN C . 51500 1 744 . 1 . 1 157 157 GLN CA C 13 57.278 0.000 . 1 . . . . . 157 GLN CA . 51500 1 745 . 1 . 1 157 157 GLN CB C 13 29.148 0.000 . 1 . . . . . 157 GLN CB . 51500 1 746 . 1 . 1 157 157 GLN CG C 13 33.300 0.000 . 1 . . . . . 157 GLN CG . 51500 1 747 . 1 . 1 157 157 GLN N N 15 119.792 0.029 . 1 . . . . . 157 GLN N . 51500 1 748 . 1 . 1 158 158 PHE H H 1 7.463 0.007 . 1 . . . . . 158 PHE H . 51500 1 749 . 1 . 1 158 158 PHE C C 13 173.046 0.000 . 1 . . . . . 158 PHE C . 51500 1 750 . 1 . 1 158 158 PHE CA C 13 55.210 0.000 . 1 . . . . . 158 PHE CA . 51500 1 751 . 1 . 1 158 158 PHE CB C 13 39.188 0.000 . 1 . . . . . 158 PHE CB . 51500 1 752 . 1 . 1 158 158 PHE N N 15 117.004 0.042 . 1 . . . . . 158 PHE N . 51500 1 753 . 1 . 1 159 159 PRO C C 13 176.729 0.000 . 1 . . . . . 159 PRO C . 51500 1 754 . 1 . 1 159 159 PRO CA C 13 63.782 0.059 . 1 . . . . . 159 PRO CA . 51500 1 755 . 1 . 1 159 159 PRO CB C 13 32.029 0.000 . 1 . . . . . 159 PRO CB . 51500 1 756 . 1 . 1 159 159 PRO CG C 13 27.024 0.000 . 1 . . . . . 159 PRO CG . 51500 1 757 . 1 . 1 159 159 PRO CD C 13 51.251 0.000 . 1 . . . . . 159 PRO CD . 51500 1 758 . 1 . 1 160 160 GLU H H 1 10.190 0.005 . 1 . . . . . 160 GLU H . 51500 1 759 . 1 . 1 160 160 GLU C C 13 177.462 0.030 . 1 . . . . . 160 GLU C . 51500 1 760 . 1 . 1 160 160 GLU CA C 13 58.212 0.000 . 1 . . . . . 160 GLU CA . 51500 1 761 . 1 . 1 160 160 GLU CB C 13 28.478 0.062 . 1 . . . . . 160 GLU CB . 51500 1 762 . 1 . 1 160 160 GLU CG C 13 36.398 0.000 . 1 . . . . . 160 GLU CG . 51500 1 763 . 1 . 1 160 160 GLU N N 15 118.062 0.050 . 1 . . . . . 160 GLU N . 51500 1 764 . 1 . 1 161 161 ILE H H 1 8.090 0.006 . 1 . . . . . 161 ILE H . 51500 1 765 . 1 . 1 161 161 ILE C C 13 175.442 0.019 . 1 . . . . . 161 ILE C . 51500 1 766 . 1 . 1 161 161 ILE CA C 13 61.698 0.000 . 1 . . . . . 161 ILE CA . 51500 1 767 . 1 . 1 161 161 ILE CB C 13 37.247 0.053 . 1 . . . . . 161 ILE CB . 51500 1 768 . 1 . 1 161 161 ILE CG2 C 13 19.041 0.000 . 1 . . . . . 161 ILE CG2 . 51500 1 769 . 1 . 1 161 161 ILE N N 15 122.224 0.055 . 1 . . . . . 161 ILE N . 51500 1 770 . 1 . 1 162 162 GLU H H 1 8.987 0.004 . 1 . . . . . 162 GLU H . 51500 1 771 . 1 . 1 162 162 GLU C C 13 176.728 0.004 . 1 . . . . . 162 GLU C . 51500 1 772 . 1 . 1 162 162 GLU CA C 13 58.228 0.000 . 1 . . . . . 162 GLU CA . 51500 1 773 . 1 . 1 162 162 GLU CB C 13 31.420 0.079 . 1 . . . . . 162 GLU CB . 51500 1 774 . 1 . 1 162 162 GLU CG C 13 35.782 0.000 . 1 . . . . . 162 GLU CG . 51500 1 775 . 1 . 1 162 162 GLU N N 15 128.671 0.050 . 1 . . . . . 162 GLU N . 51500 1 776 . 1 . 1 163 163 THR H H 1 7.162 0.005 . 1 . . . . . 163 THR H . 51500 1 777 . 1 . 1 163 163 THR C C 13 170.653 0.028 . 1 . . . . . 163 THR C . 51500 1 778 . 1 . 1 163 163 THR CA C 13 60.861 0.000 . 1 . . . . . 163 THR CA . 51500 1 779 . 1 . 1 163 163 THR CB C 13 69.147 0.000 . 1 . . . . . 163 THR CB . 51500 1 780 . 1 . 1 163 163 THR CG2 C 13 19.401 0.000 . 1 . . . . . 163 THR CG2 . 51500 1 781 . 1 . 1 163 163 THR N N 15 108.242 0.057 . 1 . . . . . 163 THR N . 51500 1 782 . 1 . 1 164 164 CYS H H 1 8.135 0.007 . 1 . . . . . 164 CYS H . 51500 1 783 . 1 . 1 164 164 CYS C C 13 172.992 0.005 . 1 . . . . . 164 CYS C . 51500 1 784 . 1 . 1 164 164 CYS CA C 13 55.798 0.023 . 1 . . . . . 164 CYS CA . 51500 1 785 . 1 . 1 164 164 CYS CB C 13 29.698 0.057 . 1 . . . . . 164 CYS CB . 51500 1 786 . 1 . 1 164 164 CYS N N 15 122.799 0.050 . 1 . . . . . 164 CYS N . 51500 1 787 . 1 . 1 165 165 VAL H H 1 8.931 0.009 . 1 . . . . . 165 VAL H . 51500 1 788 . 1 . 1 165 165 VAL C C 13 173.644 0.011 . 1 . . . . . 165 VAL C . 51500 1 789 . 1 . 1 165 165 VAL CA C 13 60.157 0.000 . 1 . . . . . 165 VAL CA . 51500 1 790 . 1 . 1 165 165 VAL CB C 13 35.408 0.028 . 1 . . . . . 165 VAL CB . 51500 1 791 . 1 . 1 165 165 VAL CG1 C 13 21.318 0.000 . 1 . . . . . 165 VAL CG1 . 51500 1 792 . 1 . 1 165 165 VAL N N 15 126.470 0.035 . 1 . . . . . 165 VAL N . 51500 1 793 . 1 . 1 166 166 GLU H H 1 8.754 0.007 . 1 . . . . . 166 GLU H . 51500 1 794 . 1 . 1 166 166 GLU C C 13 175.883 0.006 . 1 . . . . . 166 GLU C . 51500 1 795 . 1 . 1 166 166 GLU CA C 13 55.331 0.029 . 1 . . . . . 166 GLU CA . 51500 1 796 . 1 . 1 166 166 GLU CB C 13 31.840 0.027 . 1 . . . . . 166 GLU CB . 51500 1 797 . 1 . 1 166 166 GLU CG C 13 38.215 0.000 . 1 . . . . . 166 GLU CG . 51500 1 798 . 1 . 1 166 166 GLU N N 15 125.699 0.020 . 1 . . . . . 166 GLU N . 51500 1 799 . 1 . 1 167 167 CYS H H 1 9.638 0.012 . 1 . . . . . 167 CYS H . 51500 1 800 . 1 . 1 167 167 CYS C C 13 173.122 0.018 . 1 . . . . . 167 CYS C . 51500 1 801 . 1 . 1 167 167 CYS CA C 13 56.746 0.000 . 1 . . . . . 167 CYS CA . 51500 1 802 . 1 . 1 167 167 CYS CB C 13 33.178 0.049 . 1 . . . . . 167 CYS CB . 51500 1 803 . 1 . 1 167 167 CYS N N 15 121.245 0.031 . 1 . . . . . 167 CYS N . 51500 1 804 . 1 . 1 168 168 SER H H 1 8.068 0.004 . 1 . . . . . 168 SER H . 51500 1 805 . 1 . 1 168 168 SER C C 13 175.077 0.015 . 1 . . . . . 168 SER C . 51500 1 806 . 1 . 1 168 168 SER CA C 13 56.877 0.000 . 1 . . . . . 168 SER CA . 51500 1 807 . 1 . 1 168 168 SER CB C 13 64.572 0.000 . 1 . . . . . 168 SER CB . 51500 1 808 . 1 . 1 168 168 SER N N 15 111.485 0.046 . 1 . . . . . 168 SER N . 51500 1 809 . 1 . 1 169 169 ALA H H 1 9.264 0.006 . 1 . . . . . 169 ALA H . 51500 1 810 . 1 . 1 169 169 ALA C C 13 177.416 0.007 . 1 . . . . . 169 ALA C . 51500 1 811 . 1 . 1 169 169 ALA CA C 13 56.075 0.000 . 1 . . . . . 169 ALA CA . 51500 1 812 . 1 . 1 169 169 ALA CB C 13 16.990 0.038 . 1 . . . . . 169 ALA CB . 51500 1 813 . 1 . 1 169 169 ALA N N 15 135.073 0.027 . 1 . . . . . 169 ALA N . 51500 1 814 . 1 . 1 170 170 LYS H H 1 6.808 0.007 . 1 . . . . . 170 LYS H . 51500 1 815 . 1 . 1 170 170 LYS C C 13 176.489 0.003 . 1 . . . . . 170 LYS C . 51500 1 816 . 1 . 1 170 170 LYS CA C 13 57.301 0.029 . 1 . . . . . 170 LYS CA . 51500 1 817 . 1 . 1 170 170 LYS CB C 13 34.104 0.045 . 1 . . . . . 170 LYS CB . 51500 1 818 . 1 . 1 170 170 LYS N N 15 115.443 0.023 . 1 . . . . . 170 LYS N . 51500 1 819 . 1 . 1 171 171 ASN H H 1 7.455 0.009 . 1 . . . . . 171 ASN H . 51500 1 820 . 1 . 1 171 171 ASN C C 13 173.591 0.027 . 1 . . . . . 171 ASN C . 51500 1 821 . 1 . 1 171 171 ASN CA C 13 51.559 0.009 . 1 . . . . . 171 ASN CA . 51500 1 822 . 1 . 1 171 171 ASN CB C 13 38.523 0.000 . 1 . . . . . 171 ASN CB . 51500 1 823 . 1 . 1 171 171 ASN N N 15 113.042 0.041 . 1 . . . . . 171 ASN N . 51500 1 824 . 1 . 1 172 172 LEU H H 1 7.885 0.004 . 1 . . . . . 172 LEU H . 51500 1 825 . 1 . 1 172 172 LEU C C 13 176.001 0.006 . 1 . . . . . 172 LEU C . 51500 1 826 . 1 . 1 172 172 LEU CA C 13 55.867 0.046 . 1 . . . . . 172 LEU CA . 51500 1 827 . 1 . 1 172 172 LEU CB C 13 38.925 0.061 . 1 . . . . . 172 LEU CB . 51500 1 828 . 1 . 1 172 172 LEU CG C 13 25.874 0.000 . 1 . . . . . 172 LEU CG . 51500 1 829 . 1 . 1 172 172 LEU N N 15 120.836 0.032 . 1 . . . . . 172 LEU N . 51500 1 830 . 1 . 1 173 173 ARG H H 1 8.623 0.006 . 1 . . . . . 173 ARG H . 51500 1 831 . 1 . 1 173 173 ARG C C 13 176.034 0.026 . 1 . . . . . 173 ARG C . 51500 1 832 . 1 . 1 173 173 ARG CA C 13 55.533 0.049 . 1 . . . . . 173 ARG CA . 51500 1 833 . 1 . 1 173 173 ARG CB C 13 32.056 0.034 . 1 . . . . . 173 ARG CB . 51500 1 834 . 1 . 1 173 173 ARG CD C 13 43.478 0.000 . 1 . . . . . 173 ARG CD . 51500 1 835 . 1 . 1 173 173 ARG N N 15 120.208 0.058 . 1 . . . . . 173 ARG N . 51500 1 836 . 1 . 1 174 174 ASN H H 1 9.247 0.008 . 1 . . . . . 174 ASN H . 51500 1 837 . 1 . 1 174 174 ASN C C 13 174.460 0.000 . 1 . . . . . 174 ASN C . 51500 1 838 . 1 . 1 174 174 ASN CA C 13 54.033 0.000 . 1 . . . . . 174 ASN CA . 51500 1 839 . 1 . 1 174 174 ASN CB C 13 36.620 0.047 . 1 . . . . . 174 ASN CB . 51500 1 840 . 1 . 1 174 174 ASN N N 15 121.290 0.057 . 1 . . . . . 174 ASN N . 51500 1 841 . 1 . 1 175 175 ILE H H 1 7.734 0.008 . 1 . . . . . 175 ILE H . 51500 1 842 . 1 . 1 175 175 ILE C C 13 177.489 0.015 . 1 . . . . . 175 ILE C . 51500 1 843 . 1 . 1 175 175 ILE CA C 13 63.045 0.042 . 1 . . . . . 175 ILE CA . 51500 1 844 . 1 . 1 175 175 ILE CB C 13 36.540 0.000 . 1 . . . . . 175 ILE CB . 51500 1 845 . 1 . 1 175 175 ILE CG2 C 13 18.107 0.000 . 1 . . . . . 175 ILE CG2 . 51500 1 846 . 1 . 1 175 175 ILE N N 15 117.163 0.052 . 1 . . . . . 175 ILE N . 51500 1 847 . 1 . 1 176 176 SER H H 1 8.191 0.013 . 1 . . . . . 176 SER H . 51500 1 848 . 1 . 1 176 176 SER C C 13 177.189 0.000 . 1 . . . . . 176 SER C . 51500 1 849 . 1 . 1 176 176 SER CA C 13 62.391 0.000 . 1 . . . . . 176 SER CA . 51500 1 850 . 1 . 1 176 176 SER N N 15 114.695 0.037 . 1 . . . . . 176 SER N . 51500 1 851 . 1 . 1 177 177 GLU H H 1 8.854 0.012 . 1 . . . . . 177 GLU H . 51500 1 852 . 1 . 1 177 177 GLU C C 13 177.200 0.021 . 1 . . . . . 177 GLU C . 51500 1 853 . 1 . 1 177 177 GLU CA C 13 60.710 0.041 . 1 . . . . . 177 GLU CA . 51500 1 854 . 1 . 1 177 177 GLU CB C 13 28.888 0.000 . 1 . . . . . 177 GLU CB . 51500 1 855 . 1 . 1 177 177 GLU CG C 13 37.812 0.000 . 1 . . . . . 177 GLU CG . 51500 1 856 . 1 . 1 177 177 GLU N N 15 122.293 0.051 . 1 . . . . . 177 GLU N . 51500 1 857 . 1 . 1 178 178 LEU H H 1 7.427 0.012 . 1 . . . . . 178 LEU H . 51500 1 858 . 1 . 1 178 178 LEU C C 13 177.194 0.000 . 1 . . . . . 178 LEU C . 51500 1 859 . 1 . 1 178 178 LEU CA C 13 59.374 0.035 . 1 . . . . . 178 LEU CA . 51500 1 860 . 1 . 1 178 178 LEU CB C 13 41.008 0.043 . 1 . . . . . 178 LEU CB . 51500 1 861 . 1 . 1 178 178 LEU CG C 13 25.552 0.000 . 1 . . . . . 178 LEU CG . 51500 1 862 . 1 . 1 178 178 LEU N N 15 119.037 0.037 . 1 . . . . . 178 LEU N . 51500 1 863 . 1 . 1 179 179 PHE H H 1 7.216 0.012 . 1 . . . . . 179 PHE H . 51500 1 864 . 1 . 1 179 179 PHE C C 13 177.485 0.000 . 1 . . . . . 179 PHE C . 51500 1 865 . 1 . 1 179 179 PHE CA C 13 61.994 0.000 . 1 . . . . . 179 PHE CA . 51500 1 866 . 1 . 1 179 179 PHE CB C 13 38.739 0.000 . 1 . . . . . 179 PHE CB . 51500 1 867 . 1 . 1 179 179 PHE N N 15 115.840 0.040 . 1 . . . . . 179 PHE N . 51500 1 868 . 1 . 1 180 180 TYR C C 13 177.967 0.000 . 1 . . . . . 180 TYR C . 51500 1 869 . 1 . 1 180 180 TYR CA C 13 60.551 0.061 . 1 . . . . . 180 TYR CA . 51500 1 870 . 1 . 1 180 180 TYR CB C 13 37.669 0.048 . 1 . . . . . 180 TYR CB . 51500 1 871 . 1 . 1 181 181 TYR H H 1 8.667 0.012 . 1 . . . . . 181 TYR H . 51500 1 872 . 1 . 1 181 181 TYR C C 13 178.971 0.011 . 1 . . . . . 181 TYR C . 51500 1 873 . 1 . 1 181 181 TYR CA C 13 61.222 0.006 . 1 . . . . . 181 TYR CA . 51500 1 874 . 1 . 1 181 181 TYR CB C 13 36.929 0.060 . 1 . . . . . 181 TYR CB . 51500 1 875 . 1 . 1 181 181 TYR N N 15 118.522 0.052 . 1 . . . . . 181 TYR N . 51500 1 876 . 1 . 1 182 182 ALA H H 1 8.109 0.008 . 1 . . . . . 182 ALA H . 51500 1 877 . 1 . 1 182 182 ALA C C 13 177.567 0.006 . 1 . . . . . 182 ALA C . 51500 1 878 . 1 . 1 182 182 ALA CA C 13 55.486 0.043 . 1 . . . . . 182 ALA CA . 51500 1 879 . 1 . 1 182 182 ALA CB C 13 17.732 0.000 . 1 . . . . . 182 ALA CB . 51500 1 880 . 1 . 1 182 182 ALA N N 15 121.614 0.029 . 1 . . . . . 182 ALA N . 51500 1 881 . 1 . 1 183 183 GLN H H 1 7.798 0.006 . 1 . . . . . 183 GLN H . 51500 1 882 . 1 . 1 183 183 GLN C C 13 178.565 0.006 . 1 . . . . . 183 GLN C . 51500 1 883 . 1 . 1 183 183 GLN CA C 13 59.829 0.000 . 1 . . . . . 183 GLN CA . 51500 1 884 . 1 . 1 183 183 GLN CB C 13 29.674 0.000 . 1 . . . . . 183 GLN CB . 51500 1 885 . 1 . 1 183 183 GLN CG C 13 34.882 0.000 . 1 . . . . . 183 GLN CG . 51500 1 886 . 1 . 1 183 183 GLN N N 15 113.398 0.030 . 1 . . . . . 183 GLN N . 51500 1 887 . 1 . 1 184 184 LYS H H 1 8.441 0.007 . 1 . . . . . 184 LYS H . 51500 1 888 . 1 . 1 184 184 LYS C C 13 177.237 0.000 . 1 . . . . . 184 LYS C . 51500 1 889 . 1 . 1 184 184 LYS CA C 13 59.812 0.000 . 1 . . . . . 184 LYS CA . 51500 1 890 . 1 . 1 184 184 LYS CB C 13 32.428 0.023 . 1 . . . . . 184 LYS CB . 51500 1 891 . 1 . 1 184 184 LYS CG C 13 24.911 0.000 . 1 . . . . . 184 LYS CG . 51500 1 892 . 1 . 1 184 184 LYS N N 15 120.202 0.041 . 1 . . . . . 184 LYS N . 51500 1 893 . 1 . 1 185 185 ALA H H 1 7.615 0.015 . 1 . . . . . 185 ALA H . 51500 1 894 . 1 . 1 185 185 ALA C C 13 177.856 0.011 . 1 . . . . . 185 ALA C . 51500 1 895 . 1 . 1 185 185 ALA CA C 13 54.102 0.000 . 1 . . . . . 185 ALA CA . 51500 1 896 . 1 . 1 185 185 ALA CB C 13 18.230 0.058 . 1 . . . . . 185 ALA CB . 51500 1 897 . 1 . 1 185 185 ALA N N 15 118.290 0.056 . 1 . . . . . 185 ALA N . 51500 1 898 . 1 . 1 186 186 VAL H H 1 6.938 0.006 . 1 . . . . . 186 VAL H . 51500 1 899 . 1 . 1 186 186 VAL C C 13 176.787 0.030 . 1 . . . . . 186 VAL C . 51500 1 900 . 1 . 1 186 186 VAL CA C 13 64.255 0.000 . 1 . . . . . 186 VAL CA . 51500 1 901 . 1 . 1 186 186 VAL CB C 13 32.926 0.039 . 1 . . . . . 186 VAL CB . 51500 1 902 . 1 . 1 186 186 VAL CG1 C 13 23.484 0.000 . 1 . . . . . 186 VAL CG1 . 51500 1 903 . 1 . 1 186 186 VAL N N 15 113.367 0.060 . 1 . . . . . 186 VAL N . 51500 1 904 . 1 . 1 187 187 LEU H H 1 8.010 0.012 . 1 . . . . . 187 LEU H . 51500 1 905 . 1 . 1 187 187 LEU C C 13 177.122 0.070 . 1 . . . . . 187 LEU C . 51500 1 906 . 1 . 1 187 187 LEU CA C 13 56.029 0.033 . 1 . . . . . 187 LEU CA . 51500 1 907 . 1 . 1 187 187 LEU CB C 13 42.540 0.000 . 1 . . . . . 187 LEU CB . 51500 1 908 . 1 . 1 187 187 LEU CD1 C 13 26.162 0.000 . 1 . . . . . 187 LEU CD1 . 51500 1 909 . 1 . 1 187 187 LEU N N 15 118.025 0.035 . 1 . . . . . 187 LEU N . 51500 1 910 . 1 . 1 188 188 HIS H H 1 8.475 0.005 . 1 . . . . . 188 HIS H . 51500 1 911 . 1 . 1 188 188 HIS C C 13 172.102 0.000 . 1 . . . . . 188 HIS C . 51500 1 912 . 1 . 1 188 188 HIS CA C 13 53.259 0.000 . 1 . . . . . 188 HIS CA . 51500 1 913 . 1 . 1 188 188 HIS CB C 13 29.625 0.000 . 1 . . . . . 188 HIS CB . 51500 1 914 . 1 . 1 188 188 HIS N N 15 117.068 0.009 . 1 . . . . . 188 HIS N . 51500 1 915 . 1 . 1 189 189 PRO C C 13 177.736 0.000 . 1 . . . . . 189 PRO C . 51500 1 916 . 1 . 1 189 189 PRO CA C 13 63.258 0.000 . 1 . . . . . 189 PRO CA . 51500 1 917 . 1 . 1 189 189 PRO CB C 13 32.289 0.075 . 1 . . . . . 189 PRO CB . 51500 1 918 . 1 . 1 189 189 PRO CG C 13 27.356 0.000 . 1 . . . . . 189 PRO CG . 51500 1 919 . 1 . 1 190 190 THR H H 1 8.853 0.006 . 1 . . . . . 190 THR H . 51500 1 920 . 1 . 1 190 190 THR C C 13 174.393 0.000 . 1 . . . . . 190 THR C . 51500 1 921 . 1 . 1 190 190 THR CA C 13 62.809 0.074 . 1 . . . . . 190 THR CA . 51500 1 922 . 1 . 1 190 190 THR CB C 13 69.705 0.076 . 1 . . . . . 190 THR CB . 51500 1 923 . 1 . 1 190 190 THR CG2 C 13 21.975 0.000 . 1 . . . . . 190 THR CG2 . 51500 1 924 . 1 . 1 190 190 THR N N 15 115.974 0.049 . 1 . . . . . 190 THR N . 51500 1 925 . 1 . 1 191 191 ALA H H 1 8.245 0.005 . 1 . . . . . 191 ALA H . 51500 1 926 . 1 . 1 191 191 ALA C C 13 175.165 0.000 . 1 . . . . . 191 ALA C . 51500 1 927 . 1 . 1 191 191 ALA CA C 13 50.480 0.000 . 1 . . . . . 191 ALA CA . 51500 1 928 . 1 . 1 191 191 ALA CB C 13 18.460 0.000 . 1 . . . . . 191 ALA CB . 51500 1 929 . 1 . 1 191 191 ALA N N 15 127.713 0.059 . 1 . . . . . 191 ALA N . 51500 1 930 . 1 . 1 192 192 PRO C C 13 176.612 0.000 . 1 . . . . . 192 PRO C . 51500 1 931 . 1 . 1 192 192 PRO CA C 13 62.836 0.002 . 1 . . . . . 192 PRO CA . 51500 1 932 . 1 . 1 192 192 PRO CB C 13 31.991 0.068 . 1 . . . . . 192 PRO CB . 51500 1 933 . 1 . 1 192 192 PRO CG C 13 27.561 0.000 . 1 . . . . . 192 PRO CG . 51500 1 934 . 1 . 1 192 192 PRO CD C 13 50.432 0.000 . 1 . . . . . 192 PRO CD . 51500 1 935 . 1 . 1 193 193 LEU H H 1 8.248 0.006 . 1 . . . . . 193 LEU H . 51500 1 936 . 1 . 1 193 193 LEU C C 13 176.738 0.000 . 1 . . . . . 193 LEU C . 51500 1 937 . 1 . 1 193 193 LEU CA C 13 55.263 0.048 . 1 . . . . . 193 LEU CA . 51500 1 938 . 1 . 1 193 193 LEU CB C 13 42.443 0.050 . 1 . . . . . 193 LEU CB . 51500 1 939 . 1 . 1 193 193 LEU CG C 13 27.152 0.000 . 1 . . . . . 193 LEU CG . 51500 1 940 . 1 . 1 193 193 LEU CD1 C 13 24.970 0.000 . 2 . . . . . 193 LEU CD1 . 51500 1 941 . 1 . 1 193 193 LEU CD2 C 13 23.751 0.000 . 2 . . . . . 193 LEU CD2 . 51500 1 942 . 1 . 1 193 193 LEU N N 15 122.152 0.046 . 1 . . . . . 193 LEU N . 51500 1 943 . 1 . 1 194 194 TYR H H 1 8.019 0.004 . 1 . . . . . 194 TYR H . 51500 1 944 . 1 . 1 194 194 TYR C C 13 174.456 0.000 . 1 . . . . . 194 TYR C . 51500 1 945 . 1 . 1 194 194 TYR CA C 13 57.353 0.006 . 1 . . . . . 194 TYR CA . 51500 1 946 . 1 . 1 194 194 TYR CB C 13 39.178 0.020 . 1 . . . . . 194 TYR CB . 51500 1 947 . 1 . 1 194 194 TYR N N 15 120.611 0.032 . 1 . . . . . 194 TYR N . 51500 1 948 . 1 . 1 195 195 ASP H H 1 8.221 0.004 . 1 . . . . . 195 ASP H . 51500 1 949 . 1 . 1 195 195 ASP C C 13 174.664 0.000 . 1 . . . . . 195 ASP C . 51500 1 950 . 1 . 1 195 195 ASP CA C 13 51.352 0.000 . 1 . . . . . 195 ASP CA . 51500 1 951 . 1 . 1 195 195 ASP CB C 13 41.713 0.000 . 1 . . . . . 195 ASP CB . 51500 1 952 . 1 . 1 195 195 ASP N N 15 124.489 0.024 . 1 . . . . . 195 ASP N . 51500 1 953 . 1 . 1 196 196 PRO C C 13 177.303 0.000 . 1 . . . . . 196 PRO C . 51500 1 954 . 1 . 1 196 196 PRO CA C 13 63.844 0.012 . 1 . . . . . 196 PRO CA . 51500 1 955 . 1 . 1 196 196 PRO CB C 13 32.196 0.000 . 1 . . . . . 196 PRO CB . 51500 1 956 . 1 . 1 196 196 PRO CG C 13 27.231 0.000 . 1 . . . . . 196 PRO CG . 51500 1 957 . 1 . 1 196 196 PRO CD C 13 50.929 0.000 . 1 . . . . . 196 PRO CD . 51500 1 958 . 1 . 1 197 197 GLU H H 1 8.270 0.010 . 1 . . . . . 197 GLU H . 51500 1 959 . 1 . 1 197 197 GLU C C 13 176.398 0.000 . 1 . . . . . 197 GLU C . 51500 1 960 . 1 . 1 197 197 GLU CA C 13 56.377 0.040 . 1 . . . . . 197 GLU CA . 51500 1 961 . 1 . 1 197 197 GLU CB C 13 29.848 0.028 . 1 . . . . . 197 GLU CB . 51500 1 962 . 1 . 1 197 197 GLU CG C 13 36.560 0.000 . 1 . . . . . 197 GLU CG . 51500 1 963 . 1 . 1 197 197 GLU N N 15 118.377 0.023 . 1 . . . . . 197 GLU N . 51500 1 964 . 1 . 1 198 198 ALA H H 1 7.748 0.008 . 1 . . . . . 198 ALA H . 51500 1 965 . 1 . 1 198 198 ALA C C 13 177.485 0.000 . 1 . . . . . 198 ALA C . 51500 1 966 . 1 . 1 198 198 ALA CA C 13 52.540 0.013 . 1 . . . . . 198 ALA CA . 51500 1 967 . 1 . 1 198 198 ALA CB C 13 19.056 0.019 . 1 . . . . . 198 ALA CB . 51500 1 968 . 1 . 1 198 198 ALA N N 15 124.057 0.049 . 1 . . . . . 198 ALA N . 51500 1 969 . 1 . 1 199 199 LYS H H 1 8.210 0.001 . 1 . . . . . 199 LYS H . 51500 1 970 . 1 . 1 199 199 LYS C C 13 175.716 0.000 . 1 . . . . . 199 LYS C . 51500 1 971 . 1 . 1 199 199 LYS CA C 13 56.111 0.108 . 1 . . . . . 199 LYS CA . 51500 1 972 . 1 . 1 199 199 LYS CB C 13 32.954 0.019 . 1 . . . . . 199 LYS CB . 51500 1 973 . 1 . 1 199 199 LYS CG C 13 24.630 0.000 . 1 . . . . . 199 LYS CG . 51500 1 974 . 1 . 1 199 199 LYS CD C 13 28.947 0.000 . 1 . . . . . 199 LYS CD . 51500 1 975 . 1 . 1 199 199 LYS CE C 13 42.184 0.000 . 1 . . . . . 199 LYS CE . 51500 1 976 . 1 . 1 199 199 LYS N N 15 121.294 0.012 . 1 . . . . . 199 LYS N . 51500 1 977 . 1 . 1 200 200 GLN H H 1 7.987 0.002 . 1 . . . . . 200 GLN H . 51500 1 978 . 1 . 1 200 200 GLN C C 13 180.553 0.000 . 1 . . . . . 200 GLN C . 51500 1 979 . 1 . 1 200 200 GLN CA C 13 57.345 0.000 . 1 . . . . . 200 GLN CA . 51500 1 980 . 1 . 1 200 200 GLN CB C 13 30.441 0.000 . 1 . . . . . 200 GLN CB . 51500 1 981 . 1 . 1 200 200 GLN N N 15 126.672 0.064 . 1 . . . . . 200 GLN N . 51500 1 stop_ save_