data_7015 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 7015 _Entry.Title ; NMR assignments for apo- and Ca2+ saturated paramecium calmodulin ; _Entry.Type macromolecule _Entry.Version_type new _Entry.Submission_date 2005-06-24 _Entry.Accession_date 2005-07-18 _Entry.Last_release_date 2013-02-15 _Entry.Original_release_date 2013-02-15 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Olav Jaren . R. . 7015 2 James Kranz . K. . 7015 3 Brenda Sorensen . R. . 7015 4 A. Wand . Joshua . 7015 5 Madeline Shea . A. . 7015 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 7015 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 402 7015 '15N chemical shifts' 144 7015 '1H chemical shifts' 144 7015 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 . . 2013-02-15 2005-06-24 original author . 7015 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 6707 'Apo form' 7015 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 7015 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 12450379 _Citation.Full_citation . _Citation.Title ; Calcium-induced conformational switching of Paramecium calmodulin provides evidence for domain coupling. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full . _Citation.Journal_volume 41 _Citation.Journal_issue 48 _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 14158 _Citation.Page_last 14166 _Citation.Year 2002 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Olav Jaren . R. . 7015 1 2 James Kranz . K. . 7015 1 3 Brenda Sorensen . R. . 7015 1 4 A. Wand . Joshua . 7015 1 5 Madeline Shea . A. . 7015 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 7015 _Assembly.ID 1 _Assembly.Name 'paramecium calmodulin' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 1 _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites no _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state unkown _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID protein 7015 1 stop_ loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'paramecium calmodulin' 1 $PCaM . . yes native no no . . . 7015 1 2 'Calcium ion' 2 $entity_CA . . no native no no . . . 7015 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_PCaM _Entity.Sf_category entity _Entity.Sf_framecode PCaM _Entity.Entry_ID 7015 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'PCaM under apo conditions' _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 ; AEQLTEEQIAEFKEAFALFD KDGDGTITTKELGTVMRSLG QNPTEAELQDMINEVDADGN GTIDFPEFLSLMARKMKEQD SEEELIEAFKVFDRDGNGLI SAAELRHVMTNLGEKLTDDE VDEMIREADIDGDGHINYEE FVRMMVSK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 148 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state unkown _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 6707 . "PCaM under apo conditions" . . . . . 100.00 148 100.00 100.00 9.23e-100 . . . . 7015 1 2 no PDB 1CLM . "Structure Of Paramecium Tetraurelia Calmodulin At 1.8 Angstroms Resolution" . . . . . 100.00 148 98.65 100.00 1.08e-98 . . . . 7015 1 3 no PDB 1EXR . "The 1.0 Angstrom Crystal Structure Of Ca+2 Bound Calmodulin" . . . . . 100.00 148 100.00 100.00 9.23e-100 . . . . 7015 1 4 no PDB 1N0Y . "Crystal Structure Of Pb-Bound Calmodulin" . . . . . 100.00 148 100.00 100.00 9.23e-100 . . . . 7015 1 5 no PDB 1OSA . "Crystal Structure Of Recombinant Paramecium Tetraurelia Calmodulin At 1.68 Angstroms Resolution" . . . . . 100.00 148 100.00 100.00 9.23e-100 . . . . 7015 1 6 no EMBL CAK80966 . "unnamed protein product [Paramecium tetraurelia]" . . . . . 100.00 149 100.00 100.00 7.18e-100 . . . . 7015 1 7 no GB AAA29443 . "calmodulin [Paramecium tetraurelia]" . . . . . 100.00 149 100.00 100.00 7.18e-100 . . . . 7015 1 8 no GB AAB20487 . "calmodulin [Paramecium tetraurelia]" . . . . . 100.00 149 100.00 100.00 7.18e-100 . . . . 7015 1 9 no GB AAB31200 . "calmodulin {D to N substitution at residue 50, G to E substitution at residue 40} [Paramecium tetraurelia, stocks 51s and nd-6," . . . . . 100.00 148 98.65 99.32 6.33e-98 . . . . 7015 1 10 no GB AAT38517 . "calmodulin [Cloning vector pVZ-CAM.fa]" . . . . . 100.00 149 100.00 100.00 7.18e-100 . . . . 7015 1 11 no REF XP_001448363 . "hypothetical protein [Paramecium tetraurelia strain d4-2]" . . . . . 100.00 149 100.00 100.00 7.18e-100 . . . . 7015 1 12 no SP P07463 . "RecName: Full=Calmodulin; Short=CaM [Paramecium tetraurelia]" . . . . . 100.00 149 100.00 100.00 7.18e-100 . . . . 7015 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 . ALA . 7015 1 2 . GLU . 7015 1 3 . GLN . 7015 1 4 . LEU . 7015 1 5 . THR . 7015 1 6 . GLU . 7015 1 7 . GLU . 7015 1 8 . GLN . 7015 1 9 . ILE . 7015 1 10 . ALA . 7015 1 11 . GLU . 7015 1 12 . PHE . 7015 1 13 . LYS . 7015 1 14 . GLU . 7015 1 15 . ALA . 7015 1 16 . PHE . 7015 1 17 . ALA . 7015 1 18 . LEU . 7015 1 19 . PHE . 7015 1 20 . ASP . 7015 1 21 . LYS . 7015 1 22 . ASP . 7015 1 23 . GLY . 7015 1 24 . ASP . 7015 1 25 . GLY . 7015 1 26 . THR . 7015 1 27 . ILE . 7015 1 28 . THR . 7015 1 29 . THR . 7015 1 30 . LYS . 7015 1 31 . GLU . 7015 1 32 . LEU . 7015 1 33 . GLY . 7015 1 34 . THR . 7015 1 35 . VAL . 7015 1 36 . MET . 7015 1 37 . ARG . 7015 1 38 . SER . 7015 1 39 . LEU . 7015 1 40 . GLY . 7015 1 41 . GLN . 7015 1 42 . ASN . 7015 1 43 . PRO . 7015 1 44 . THR . 7015 1 45 . GLU . 7015 1 46 . ALA . 7015 1 47 . GLU . 7015 1 48 . LEU . 7015 1 49 . GLN . 7015 1 50 . ASP . 7015 1 51 . MET . 7015 1 52 . ILE . 7015 1 53 . ASN . 7015 1 54 . GLU . 7015 1 55 . VAL . 7015 1 56 . ASP . 7015 1 57 . ALA . 7015 1 58 . ASP . 7015 1 59 . GLY . 7015 1 60 . ASN . 7015 1 61 . GLY . 7015 1 62 . THR . 7015 1 63 . ILE . 7015 1 64 . ASP . 7015 1 65 . PHE . 7015 1 66 . PRO . 7015 1 67 . GLU . 7015 1 68 . PHE . 7015 1 69 . LEU . 7015 1 70 . SER . 7015 1 71 . LEU . 7015 1 72 . MET . 7015 1 73 . ALA . 7015 1 74 . ARG . 7015 1 75 . LYS . 7015 1 76 . MET . 7015 1 77 . LYS . 7015 1 78 . GLU . 7015 1 79 . GLN . 7015 1 80 . ASP . 7015 1 81 . SER . 7015 1 82 . GLU . 7015 1 83 . GLU . 7015 1 84 . GLU . 7015 1 85 . LEU . 7015 1 86 . ILE . 7015 1 87 . GLU . 7015 1 88 . ALA . 7015 1 89 . PHE . 7015 1 90 . LYS . 7015 1 91 . VAL . 7015 1 92 . PHE . 7015 1 93 . ASP . 7015 1 94 . ARG . 7015 1 95 . ASP . 7015 1 96 . GLY . 7015 1 97 . ASN . 7015 1 98 . GLY . 7015 1 99 . LEU . 7015 1 100 . ILE . 7015 1 101 . SER . 7015 1 102 . ALA . 7015 1 103 . ALA . 7015 1 104 . GLU . 7015 1 105 . LEU . 7015 1 106 . ARG . 7015 1 107 . HIS . 7015 1 108 . VAL . 7015 1 109 . MET . 7015 1 110 . THR . 7015 1 111 . ASN . 7015 1 112 . LEU . 7015 1 113 . GLY . 7015 1 114 . GLU . 7015 1 115 . LYS . 7015 1 116 . LEU . 7015 1 117 . THR . 7015 1 118 . ASP . 7015 1 119 . ASP . 7015 1 120 . GLU . 7015 1 121 . VAL . 7015 1 122 . ASP . 7015 1 123 . GLU . 7015 1 124 . MET . 7015 1 125 . ILE . 7015 1 126 . ARG . 7015 1 127 . GLU . 7015 1 128 . ALA . 7015 1 129 . ASP . 7015 1 130 . ILE . 7015 1 131 . ASP . 7015 1 132 . GLY . 7015 1 133 . ASP . 7015 1 134 . GLY . 7015 1 135 . HIS . 7015 1 136 . ILE . 7015 1 137 . ASN . 7015 1 138 . TYR . 7015 1 139 . GLU . 7015 1 140 . GLU . 7015 1 141 . PHE . 7015 1 142 . VAL . 7015 1 143 . ARG . 7015 1 144 . MET . 7015 1 145 . MET . 7015 1 146 . VAL . 7015 1 147 . SER . 7015 1 148 . LYS . 7015 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 . ALA 1 1 7015 1 . GLU 2 2 7015 1 . GLN 3 3 7015 1 . LEU 4 4 7015 1 . THR 5 5 7015 1 . GLU 6 6 7015 1 . GLU 7 7 7015 1 . GLN 8 8 7015 1 . ILE 9 9 7015 1 . ALA 10 10 7015 1 . GLU 11 11 7015 1 . PHE 12 12 7015 1 . LYS 13 13 7015 1 . GLU 14 14 7015 1 . ALA 15 15 7015 1 . PHE 16 16 7015 1 . ALA 17 17 7015 1 . LEU 18 18 7015 1 . PHE 19 19 7015 1 . ASP 20 20 7015 1 . LYS 21 21 7015 1 . ASP 22 22 7015 1 . GLY 23 23 7015 1 . ASP 24 24 7015 1 . GLY 25 25 7015 1 . THR 26 26 7015 1 . ILE 27 27 7015 1 . THR 28 28 7015 1 . THR 29 29 7015 1 . LYS 30 30 7015 1 . GLU 31 31 7015 1 . LEU 32 32 7015 1 . GLY 33 33 7015 1 . THR 34 34 7015 1 . VAL 35 35 7015 1 . MET 36 36 7015 1 . ARG 37 37 7015 1 . SER 38 38 7015 1 . LEU 39 39 7015 1 . GLY 40 40 7015 1 . GLN 41 41 7015 1 . ASN 42 42 7015 1 . PRO 43 43 7015 1 . THR 44 44 7015 1 . GLU 45 45 7015 1 . ALA 46 46 7015 1 . GLU 47 47 7015 1 . LEU 48 48 7015 1 . GLN 49 49 7015 1 . ASP 50 50 7015 1 . MET 51 51 7015 1 . ILE 52 52 7015 1 . ASN 53 53 7015 1 . GLU 54 54 7015 1 . VAL 55 55 7015 1 . ASP 56 56 7015 1 . ALA 57 57 7015 1 . ASP 58 58 7015 1 . GLY 59 59 7015 1 . ASN 60 60 7015 1 . GLY 61 61 7015 1 . THR 62 62 7015 1 . ILE 63 63 7015 1 . ASP 64 64 7015 1 . PHE 65 65 7015 1 . PRO 66 66 7015 1 . GLU 67 67 7015 1 . PHE 68 68 7015 1 . LEU 69 69 7015 1 . SER 70 70 7015 1 . LEU 71 71 7015 1 . MET 72 72 7015 1 . ALA 73 73 7015 1 . ARG 74 74 7015 1 . LYS 75 75 7015 1 . MET 76 76 7015 1 . LYS 77 77 7015 1 . GLU 78 78 7015 1 . GLN 79 79 7015 1 . ASP 80 80 7015 1 . SER 81 81 7015 1 . GLU 82 82 7015 1 . GLU 83 83 7015 1 . GLU 84 84 7015 1 . LEU 85 85 7015 1 . ILE 86 86 7015 1 . GLU 87 87 7015 1 . ALA 88 88 7015 1 . PHE 89 89 7015 1 . LYS 90 90 7015 1 . VAL 91 91 7015 1 . PHE 92 92 7015 1 . ASP 93 93 7015 1 . ARG 94 94 7015 1 . ASP 95 95 7015 1 . GLY 96 96 7015 1 . ASN 97 97 7015 1 . GLY 98 98 7015 1 . LEU 99 99 7015 1 . ILE 100 100 7015 1 . SER 101 101 7015 1 . ALA 102 102 7015 1 . ALA 103 103 7015 1 . GLU 104 104 7015 1 . LEU 105 105 7015 1 . ARG 106 106 7015 1 . HIS 107 107 7015 1 . VAL 108 108 7015 1 . MET 109 109 7015 1 . THR 110 110 7015 1 . ASN 111 111 7015 1 . LEU 112 112 7015 1 . GLY 113 113 7015 1 . GLU 114 114 7015 1 . LYS 115 115 7015 1 . LEU 116 116 7015 1 . THR 117 117 7015 1 . ASP 118 118 7015 1 . ASP 119 119 7015 1 . GLU 120 120 7015 1 . VAL 121 121 7015 1 . ASP 122 122 7015 1 . GLU 123 123 7015 1 . MET 124 124 7015 1 . ILE 125 125 7015 1 . ARG 126 126 7015 1 . GLU 127 127 7015 1 . ALA 128 128 7015 1 . ASP 129 129 7015 1 . ILE 130 130 7015 1 . ASP 131 131 7015 1 . GLY 132 132 7015 1 . ASP 133 133 7015 1 . GLY 134 134 7015 1 . HIS 135 135 7015 1 . ILE 136 136 7015 1 . ASN 137 137 7015 1 . TYR 138 138 7015 1 . GLU 139 139 7015 1 . GLU 140 140 7015 1 . PHE 141 141 7015 1 . VAL 142 142 7015 1 . ARG 143 143 7015 1 . MET 144 144 7015 1 . MET 145 145 7015 1 . VAL 146 146 7015 1 . SER 147 147 7015 1 . LYS 148 148 7015 1 stop_ save_ save_entity_CA _Entity.Sf_category entity _Entity.Sf_framecode entity_CA _Entity.Entry_ID 7015 _Entity.ID 2 _Entity.BMRB_code CA _Entity.Name 'CALCIUM ION' _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 CA _Entity.Nonpolymer_comp_label $chem_comp_CA _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 40.078 _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 'CALCIUM ION' BMRB 7015 2 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 'CALCIUM ION' BMRB 7015 2 CA 'Three letter code' 7015 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 CA $chem_comp_CA 7015 2 stop_ loop_ _Entity_atom_list.ID _Entity_atom_list.Comp_index_ID _Entity_atom_list.Comp_ID _Entity_atom_list.Atom_ID _Entity_atom_list.Entry_ID _Entity_atom_list.Entity_ID 1 1 CA CA 7015 2 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 7015 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $PCaM . 5884 . no . Paramecium . . Eukaryota Protista Paramecium . . . . . . . . . . . . . . . . . . . . . . 7015 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 7015 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $PCaM . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 7015 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_CA _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_CA _Chem_comp.Entry_ID 7015 _Chem_comp.ID CA _Chem_comp.Provenance PDB _Chem_comp.Name 'CALCIUM ION' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code CA _Chem_comp.PDB_code CA _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2012-11-20 _Chem_comp.Modified_date 2012-11-20 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code CA _Chem_comp.Number_atoms_all 1 _Chem_comp.Number_atoms_nh 1 _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/Ca/q+2 _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 2 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula Ca _Chem_comp.Formula_weight 40.078 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID BHPQYMZQTOCNFJ-UHFFFAOYSA-N InChIKey InChI 1.03 7015 CA [Ca++] SMILES CACTVS 3.341 7015 CA [Ca++] SMILES_CANONICAL CACTVS 3.341 7015 CA [Ca+2] SMILES ACDLabs 10.04 7015 CA [Ca+2] SMILES 'OpenEye OEToolkits' 1.5.0 7015 CA [Ca+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 7015 CA InChI=1S/Ca/q+2 InChI InChI 1.03 7015 CA 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 calcium 'SYSTEMATIC NAME' ACDLabs 10.04 7015 CA 'calcium(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 7015 CA 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 CA CA CA CA . CA . . N 2 . . . 0 no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 7015 CA stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 7015 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 PCaM '[U-13C; U-15N]' 1 $assembly . . . . 1.25 . . mM . . . . 7015 1 2 imidazole-d4 . . . . . . . 10 . . mM . . . . 7015 1 3 KCl . . . . . . . 100 . . mM . . . . 7015 1 4 CaCl2 . . . . . . . 5 . . mM . . . . 7015 1 5 NaN3 . . . . . . . 0.01 . . % . . . . 7015 1 6 D2O . . . . . . . 8 . . % . . . . 7015 1 stop_ save_ ####################### # Sample conditions # ####################### save_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode conditions_1 _Sample_condition_list.Entry_ID 7015 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.5 0 pH 7015 1 temperature 298 0 K 7015 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 7015 _Software.ID 1 _Software.Name FELIX _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Molecular Simulations Inc.' . . 7015 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'spectra processing' 7015 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 7015 _Software.ID 2 _Software.Name NMRView _Software.Version . _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'processed spectra examination' 7015 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_500MHz_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 500MHz_spectrometer _NMR_spectrometer.Entry_ID 7015 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_600MHz_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 600MHz_spectrometer _NMR_spectrometer.Entry_ID 7015 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_700MHz_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 700MHz_spectrometer _NMR_spectrometer.Entry_ID 7015 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_1H-15N_HSQC _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 1H-15N_HSQC _NMR_spec_expt.Entry_ID 7015 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '1H-15N HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_1H-13C_constant_time_HSQC _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 1H-13C_constant_time_HSQC _NMR_spec_expt.Entry_ID 7015 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '1H-13C constant time HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_CBCA(CO)NH _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode CBCA(CO)NH _NMR_spec_expt.Entry_ID 7015 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name CBCA(CO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_HNCACB _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode HNCACB _NMR_spec_expt.Entry_ID 7015 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name HNCACB _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_HNCO _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode HNCO _NMR_spec_expt.Entry_ID 7015 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name HNCO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_HN(CA)CO _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode HN(CA)CO _NMR_spec_expt.Entry_ID 7015 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name HN(CA)CO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_CTSL-HCANH _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode CTSL-HCANH _NMR_spec_expt.Entry_ID 7015 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name CTSL-HCANH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_15N-edited_3D_NOESY _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 15N-edited_3D_NOESY _NMR_spec_expt.Entry_ID 7015 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name '15N-edited 3D NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_referencing _Chem_shift_reference.Entry_ID 7015 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 direct external 0.251449530 . . . . . . . . . 7015 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 direct external 1.0 . . . . . . . . . 7015 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 direct external 0.101329118 . . . . . . . . . 7015 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_chem_shift_PCaM _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_PCaM _Assigned_chem_shift_list.Entry_ID 7015 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_1 isotropic 7015 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 GLU C C 13 176.06 . . . . . . . 2 GLU C . 7015 1 2 . 1 1 3 3 GLN H H 1 8.468 . . . . . . . 3 GLN H . 7015 1 3 . 1 1 3 3 GLN C C 13 175.6 . . . . . . . 3 GLN C . 7015 1 4 . 1 1 3 3 GLN CA C 13 55.51 . . . . . . . 3 GLN CA . 7015 1 5 . 1 1 3 3 GLN CB C 13 29.79 . . . . . . . 3 GLN CB . 7015 1 6 . 1 1 3 3 GLN N N 15 121.36 . . . . . . . 3 GLN N . 7015 1 7 . 1 1 4 4 LEU H H 1 8.294 . . . . . . . 4 LEU H . 7015 1 8 . 1 1 4 4 LEU C C 13 177.69 . . . . . . . 4 LEU C . 7015 1 9 . 1 1 4 4 LEU CA C 13 54.35 . . . . . . . 4 LEU CA . 7015 1 10 . 1 1 4 4 LEU CB C 13 43.79 . . . . . . . 4 LEU CB . 7015 1 11 . 1 1 4 4 LEU N N 15 123.28 . . . . . . . 4 LEU N . 7015 1 12 . 1 1 5 5 THR H H 1 8.785 . . . . . . . 5 THR H . 7015 1 13 . 1 1 5 5 THR C C 13 175.45 . . . . . . . 5 THR C . 7015 1 14 . 1 1 5 5 THR CA C 13 60.41 . . . . . . . 5 THR CA . 7015 1 15 . 1 1 5 5 THR CB C 13 68.12 . . . . . . . 5 THR CB . 7015 1 16 . 1 1 5 5 THR N N 15 113.29 . . . . . . . 5 THR N . 7015 1 17 . 1 1 6 6 GLU H H 1 9.08 . . . . . . . 6 GLU H . 7015 1 18 . 1 1 6 6 GLU C C 13 179.52 . . . . . . . 6 GLU C . 7015 1 19 . 1 1 6 6 GLU CA C 13 60.13 . . . . . . . 6 GLU CA . 7015 1 20 . 1 1 6 6 GLU CB C 13 29.24 . . . . . . . 6 GLU CB . 7015 1 21 . 1 1 6 6 GLU N N 15 120.3 . . . . . . . 6 GLU N . 7015 1 22 . 1 1 7 7 GLU H H 1 8.753 . . . . . . . 7 GLU H . 7015 1 23 . 1 1 7 7 GLU CA C 13 60.11 . . . . . . . 7 GLU CA . 7015 1 24 . 1 1 7 7 GLU CB C 13 29.1 . . . . . . . 7 GLU CB . 7015 1 25 . 1 1 7 7 GLU N N 15 119.5 . . . . . . . 7 GLU N . 7015 1 26 . 1 1 8 8 GLN H H 1 7.77 . . . . . . . 8 GLN H . 7015 1 27 . 1 1 8 8 GLN C C 13 175.34 . . . . . . . 8 GLN C . 7015 1 28 . 1 1 8 8 GLN CA C 13 58.68 . . . . . . . 8 GLN CA . 7015 1 29 . 1 1 8 8 GLN CB C 13 29.28 . . . . . . . 8 GLN CB . 7015 1 30 . 1 1 8 8 GLN N N 15 120.45 . . . . . . . 8 GLN N . 7015 1 31 . 1 1 9 9 ILE H H 1 8.413 . . . . . . . 9 ILE H . 7015 1 32 . 1 1 9 9 ILE C C 13 177.72 . . . . . . . 9 ILE C . 7015 1 33 . 1 1 9 9 ILE CA C 13 66.34 . . . . . . . 9 ILE CA . 7015 1 34 . 1 1 9 9 ILE CB C 13 37.96 . . . . . . . 9 ILE CB . 7015 1 35 . 1 1 9 9 ILE N N 15 119.5 . . . . . . . 9 ILE N . 7015 1 36 . 1 1 10 10 ALA H H 1 8.02 . . . . . . . 10 ALA H . 7015 1 37 . 1 1 10 10 ALA CA C 13 55.44 . . . . . . . 10 ALA CA . 7015 1 38 . 1 1 10 10 ALA CB C 13 17.89 . . . . . . . 10 ALA CB . 7015 1 39 . 1 1 10 10 ALA N N 15 121.15 . . . . . . . 10 ALA N . 7015 1 40 . 1 1 11 11 GLU H H 1 7.797 . . . . . . . 11 GLU H . 7015 1 41 . 1 1 11 11 GLU C C 13 180.53 . . . . . . . 11 GLU C . 7015 1 42 . 1 1 11 11 GLU CA C 13 58.26 . . . . . . . 11 GLU CA . 7015 1 43 . 1 1 11 11 GLU CB C 13 29.26 . . . . . . . 11 GLU CB . 7015 1 44 . 1 1 11 11 GLU N N 15 119.5 . . . . . . . 11 GLU N . 7015 1 45 . 1 1 12 12 PHE H H 1 8.61 . . . . . . . 12 PHE H . 7015 1 46 . 1 1 12 12 PHE C C 13 178.65 . . . . . . . 12 PHE C . 7015 1 47 . 1 1 12 12 PHE CA C 13 59.31 . . . . . . . 12 PHE CA . 7015 1 48 . 1 1 12 12 PHE CB C 13 37.94 . . . . . . . 12 PHE CB . 7015 1 49 . 1 1 12 12 PHE N N 15 120.07 . . . . . . . 12 PHE N . 7015 1 50 . 1 1 13 13 LYS H H 1 9.201 . . . . . . . 13 LYS H . 7015 1 51 . 1 1 13 13 LYS C C 13 179.39 . . . . . . . 13 LYS C . 7015 1 52 . 1 1 13 13 LYS CA C 13 60.38 . . . . . . . 13 LYS CA . 7015 1 53 . 1 1 13 13 LYS CB C 13 32.17 . . . . . . . 13 LYS CB . 7015 1 54 . 1 1 13 13 LYS N N 15 123.55 . . . . . . . 13 LYS N . 7015 1 55 . 1 1 14 14 GLU H H 1 7.76 . . . . . . . 14 GLU H . 7015 1 56 . 1 1 14 14 GLU C C 13 179.06 . . . . . . . 14 GLU C . 7015 1 57 . 1 1 14 14 GLU CA C 13 59.12 . . . . . . . 14 GLU CA . 7015 1 58 . 1 1 14 14 GLU CB C 13 29.25 . . . . . . . 14 GLU CB . 7015 1 59 . 1 1 14 14 GLU N N 15 119.8 . . . . . . . 14 GLU N . 7015 1 60 . 1 1 15 15 ALA H H 1 7.99 . . . . . . . 15 ALA H . 7015 1 61 . 1 1 15 15 ALA C C 13 178.84 . . . . . . . 15 ALA C . 7015 1 62 . 1 1 15 15 ALA CA C 13 55.2 . . . . . . . 15 ALA CA . 7015 1 63 . 1 1 15 15 ALA CB C 13 18.07 . . . . . . . 15 ALA CB . 7015 1 64 . 1 1 15 15 ALA N N 15 122.2 . . . . . . . 15 ALA N . 7015 1 65 . 1 1 16 16 PHE H H 1 8.798 . . . . . . . 16 PHE H . 7015 1 66 . 1 1 16 16 PHE C C 13 176.58 . . . . . . . 16 PHE C . 7015 1 67 . 1 1 16 16 PHE CA C 13 62.02 . . . . . . . 16 PHE CA . 7015 1 68 . 1 1 16 16 PHE CB C 13 39.76 . . . . . . . 16 PHE CB . 7015 1 69 . 1 1 16 16 PHE N N 15 119.23 . . . . . . . 16 PHE N . 7015 1 70 . 1 1 17 17 ALA H H 1 7.714 . . . . . . . 17 ALA H . 7015 1 71 . 1 1 17 17 ALA C C 13 179.24 . . . . . . . 17 ALA C . 7015 1 72 . 1 1 17 17 ALA CA C 13 54.46 . . . . . . . 17 ALA CA . 7015 1 73 . 1 1 17 17 ALA CB C 13 18.28 . . . . . . . 17 ALA CB . 7015 1 74 . 1 1 17 17 ALA N N 15 118.02 . . . . . . . 17 ALA N . 7015 1 75 . 1 1 18 18 LEU H H 1 7.46 . . . . . . . 18 LEU H . 7015 1 76 . 1 1 18 18 LEU C C 13 178.35 . . . . . . . 18 LEU C . 7015 1 77 . 1 1 18 18 LEU CA C 13 57.03 . . . . . . . 18 LEU CA . 7015 1 78 . 1 1 18 18 LEU CB C 13 41.73 . . . . . . . 18 LEU CB . 7015 1 79 . 1 1 18 18 LEU N N 15 117.4 . . . . . . . 18 LEU N . 7015 1 80 . 1 1 19 19 PHE H H 1 7.51 . . . . . . . 19 PHE H . 7015 1 81 . 1 1 19 19 PHE C C 13 176.54 . . . . . . . 19 PHE C . 7015 1 82 . 1 1 19 19 PHE CA C 13 59.3 . . . . . . . 19 PHE CA . 7015 1 83 . 1 1 19 19 PHE CB C 13 40.25 . . . . . . . 19 PHE CB . 7015 1 84 . 1 1 19 19 PHE N N 15 114.9 . . . . . . . 19 PHE N . 7015 1 85 . 1 1 20 20 ASP H H 1 7.816 . . . . . . . 20 ASP H . 7015 1 86 . 1 1 20 20 ASP C C 13 177.26 . . . . . . . 20 ASP C . 7015 1 87 . 1 1 20 20 ASP CA C 13 52.51 . . . . . . . 20 ASP CA . 7015 1 88 . 1 1 20 20 ASP CB C 13 38.7 . . . . . . . 20 ASP CB . 7015 1 89 . 1 1 20 20 ASP N N 15 119.3 . . . . . . . 20 ASP N . 7015 1 90 . 1 1 21 21 LYS H H 1 7.701 . . . . . . . 21 LYS H . 7015 1 91 . 1 1 21 21 LYS C C 13 178.05 . . . . . . . 21 LYS C . 7015 1 92 . 1 1 21 21 LYS CA C 13 58.7 . . . . . . . 21 LYS CA . 7015 1 93 . 1 1 21 21 LYS CB C 13 32.64 . . . . . . . 21 LYS CB . 7015 1 94 . 1 1 21 21 LYS N N 15 124.36 . . . . . . . 21 LYS N . 7015 1 95 . 1 1 22 22 ASP H H 1 8.12 . . . . . . . 22 ASP H . 7015 1 96 . 1 1 22 22 ASP C C 13 177.59 . . . . . . . 22 ASP C . 7015 1 97 . 1 1 22 22 ASP CA C 13 52.96 . . . . . . . 22 ASP CA . 7015 1 98 . 1 1 22 22 ASP CB C 13 39.59 . . . . . . . 22 ASP CB . 7015 1 99 . 1 1 22 22 ASP N N 15 113.6 . . . . . . . 22 ASP N . 7015 1 100 . 1 1 23 23 GLY H H 1 7.7 . . . . . . . 23 GLY H . 7015 1 101 . 1 1 23 23 GLY C C 13 175.08 . . . . . . . 23 GLY C . 7015 1 102 . 1 1 23 23 GLY CA C 13 47.18 . . . . . . . 23 GLY CA . 7015 1 103 . 1 1 23 23 GLY N N 15 109 . . . . . . . 23 GLY N . 7015 1 104 . 1 1 24 24 ASP H H 1 8.357 . . . . . . . 24 ASP H . 7015 1 105 . 1 1 24 24 ASP C C 13 177.4 . . . . . . . 24 ASP C . 7015 1 106 . 1 1 24 24 ASP CA C 13 53.82 . . . . . . . 24 ASP CA . 7015 1 107 . 1 1 24 24 ASP CB C 13 40.48 . . . . . . . 24 ASP CB . 7015 1 108 . 1 1 24 24 ASP N N 15 120.34 . . . . . . . 24 ASP N . 7015 1 109 . 1 1 25 25 GLY H H 1 10.663 . . . . . . . 25 GLY H . 7015 1 110 . 1 1 25 25 GLY C C 13 173.71 . . . . . . . 25 GLY C . 7015 1 111 . 1 1 25 25 GLY CA C 13 45.56 . . . . . . . 25 GLY CA . 7015 1 112 . 1 1 25 25 GLY N N 15 113.43 . . . . . . . 25 GLY N . 7015 1 113 . 1 1 26 26 THR H H 1 8.12 . . . . . . . 26 THR H . 7015 1 114 . 1 1 26 26 THR C C 13 172.96 . . . . . . . 26 THR C . 7015 1 115 . 1 1 26 26 THR CA C 13 59.8 . . . . . . . 26 THR CA . 7015 1 116 . 1 1 26 26 THR CB C 13 69.7 . . . . . . . 26 THR CB . 7015 1 117 . 1 1 26 26 THR N N 15 113.3 . . . . . . . 26 THR N . 7015 1 118 . 1 1 27 27 ILE H H 1 9.75 . . . . . . . 27 ILE H . 7015 1 119 . 1 1 27 27 ILE C C 13 175.92 . . . . . . . 27 ILE C . 7015 1 120 . 1 1 27 27 ILE CA C 13 60.03 . . . . . . . 27 ILE CA . 7015 1 121 . 1 1 27 27 ILE CB C 13 39.54 . . . . . . . 27 ILE CB . 7015 1 122 . 1 1 27 27 ILE N N 15 126.25 . . . . . . . 27 ILE N . 7015 1 123 . 1 1 28 28 THR H H 1 8.487 . . . . . . . 28 THR H . 7015 1 124 . 1 1 28 28 THR C C 13 176.46 . . . . . . . 28 THR C . 7015 1 125 . 1 1 28 28 THR CA C 13 59.87 . . . . . . . 28 THR CA . 7015 1 126 . 1 1 28 28 THR CB C 13 69.01 . . . . . . . 28 THR CB . 7015 1 127 . 1 1 28 28 THR N N 15 116.4 . . . . . . . 28 THR N . 7015 1 128 . 1 1 29 29 THR H H 1 8.99 . . . . . . . 29 THR H . 7015 1 129 . 1 1 29 29 THR CA C 13 66.4 . . . . . . . 29 THR CA . 7015 1 130 . 1 1 29 29 THR CB C 13 67.8 . . . . . . . 29 THR CB . 7015 1 131 . 1 1 29 29 THR N N 15 113.3 . . . . . . . 29 THR N . 7015 1 132 . 1 1 30 30 LYS H H 1 7.78 . . . . . . . 30 LYS H . 7015 1 133 . 1 1 30 30 LYS C C 13 179.8 . . . . . . . 30 LYS C . 7015 1 134 . 1 1 30 30 LYS CA C 13 59.2 . . . . . . . 30 LYS CA . 7015 1 135 . 1 1 30 30 LYS CB C 13 32.4 . . . . . . . 30 LYS CB . 7015 1 136 . 1 1 30 30 LYS N N 15 120.6 . . . . . . . 30 LYS N . 7015 1 137 . 1 1 31 31 GLU H H 1 7.622 . . . . . . . 31 GLU H . 7015 1 138 . 1 1 31 31 GLU C C 13 178.98 . . . . . . . 31 GLU C . 7015 1 139 . 1 1 31 31 GLU CA C 13 58.93 . . . . . . . 31 GLU CA . 7015 1 140 . 1 1 31 31 GLU CB C 13 30.11 . . . . . . . 31 GLU CB . 7015 1 141 . 1 1 31 31 GLU N N 15 120.72 . . . . . . . 31 GLU N . 7015 1 142 . 1 1 32 32 LEU H H 1 8.722 . . . . . . . 32 LEU H . 7015 1 143 . 1 1 32 32 LEU C C 13 178.81 . . . . . . . 32 LEU C . 7015 1 144 . 1 1 32 32 LEU CA C 13 57.77 . . . . . . . 32 LEU CA . 7015 1 145 . 1 1 32 32 LEU CB C 13 42.24 . . . . . . . 32 LEU CB . 7015 1 146 . 1 1 32 32 LEU N N 15 120.72 . . . . . . . 32 LEU N . 7015 1 147 . 1 1 33 33 GLY H H 1 8.556 . . . . . . . 33 GLY H . 7015 1 148 . 1 1 33 33 GLY C C 13 176.49 . . . . . . . 33 GLY C . 7015 1 149 . 1 1 33 33 GLY CA C 13 48.48 . . . . . . . 33 GLY CA . 7015 1 150 . 1 1 33 33 GLY N N 15 106.14 . . . . . . . 33 GLY N . 7015 1 151 . 1 1 34 34 THR H H 1 7.76 . . . . . . . 34 THR H . 7015 1 152 . 1 1 34 34 THR C C 13 177.09 . . . . . . . 34 THR C . 7015 1 153 . 1 1 34 34 THR CA C 13 66.8 . . . . . . . 34 THR CA . 7015 1 154 . 1 1 34 34 THR CB C 13 68.6 . . . . . . . 34 THR CB . 7015 1 155 . 1 1 34 34 THR N N 15 117.6 . . . . . . . 34 THR N . 7015 1 156 . 1 1 35 35 VAL H H 1 7.605 . . . . . . . 35 VAL H . 7015 1 157 . 1 1 35 35 VAL C C 13 179.14 . . . . . . . 35 VAL C . 7015 1 158 . 1 1 35 35 VAL CA C 13 66.08 . . . . . . . 35 VAL CA . 7015 1 159 . 1 1 35 35 VAL CB C 13 31.32 . . . . . . . 35 VAL CB . 7015 1 160 . 1 1 35 35 VAL N N 15 122.07 . . . . . . . 35 VAL N . 7015 1 161 . 1 1 36 36 MET H H 1 8.424 . . . . . . . 36 MET H . 7015 1 162 . 1 1 36 36 MET C C 13 179.17 . . . . . . . 36 MET C . 7015 1 163 . 1 1 36 36 MET CA C 13 58.7 . . . . . . . 36 MET CA . 7015 1 164 . 1 1 36 36 MET CB C 13 31.2 . . . . . . . 36 MET CB . 7015 1 165 . 1 1 36 36 MET N N 15 118.15 . . . . . . . 36 MET N . 7015 1 166 . 1 1 37 37 ARG H H 1 8.48 . . . . . . . 37 ARG H . 7015 1 167 . 1 1 37 37 ARG C C 13 181.22 . . . . . . . 37 ARG C . 7015 1 168 . 1 1 37 37 ARG CA C 13 59.2 . . . . . . . 37 ARG CA . 7015 1 169 . 1 1 37 37 ARG CB C 13 30.06 . . . . . . . 37 ARG CB . 7015 1 170 . 1 1 37 37 ARG N N 15 119.5 . . . . . . . 37 ARG N . 7015 1 171 . 1 1 38 38 SER H H 1 7.93 . . . . . . . 38 SER H . 7015 1 172 . 1 1 38 38 SER C C 13 174.85 . . . . . . . 38 SER C . 7015 1 173 . 1 1 38 38 SER CA C 13 61.7 . . . . . . . 38 SER CA . 7015 1 174 . 1 1 38 38 SER CB C 13 62.95 . . . . . . . 38 SER CB . 7015 1 175 . 1 1 38 38 SER N N 15 119 . . . . . . . 38 SER N . 7015 1 176 . 1 1 39 39 LEU H H 1 7.365 . . . . . . . 39 LEU H . 7015 1 177 . 1 1 39 39 LEU C C 13 177.45 . . . . . . . 39 LEU C . 7015 1 178 . 1 1 39 39 LEU CA C 13 54.55 . . . . . . . 39 LEU CA . 7015 1 179 . 1 1 39 39 LEU CB C 13 42.04 . . . . . . . 39 LEU CB . 7015 1 180 . 1 1 39 39 LEU N N 15 120.58 . . . . . . . 39 LEU N . 7015 1 181 . 1 1 40 40 GLY H H 1 7.889 . . . . . . . 40 GLY H . 7015 1 182 . 1 1 40 40 GLY C C 13 174.36 . . . . . . . 40 GLY C . 7015 1 183 . 1 1 40 40 GLY CA C 13 45.63 . . . . . . . 40 GLY CA . 7015 1 184 . 1 1 40 40 GLY N N 15 106.81 . . . . . . . 40 GLY N . 7015 1 185 . 1 1 41 41 GLN H H 1 7.87 . . . . . . . 41 GLN H . 7015 1 186 . 1 1 41 41 GLN C C 13 174.07 . . . . . . . 41 GLN C . 7015 1 187 . 1 1 41 41 GLN CA C 13 54.46 . . . . . . . 41 GLN CA . 7015 1 188 . 1 1 41 41 GLN CB C 13 30.64 . . . . . . . 41 GLN CB . 7015 1 189 . 1 1 41 41 GLN N N 15 118.7 . . . . . . . 41 GLN N . 7015 1 190 . 1 1 42 42 ASN H H 1 8.722 . . . . . . . 42 ASN H . 7015 1 191 . 1 1 42 42 ASN CA C 13 51.29 . . . . . . . 42 ASN CA . 7015 1 192 . 1 1 42 42 ASN CB C 13 39.24 . . . . . . . 42 ASN CB . 7015 1 193 . 1 1 42 42 ASN N N 15 116.53 . . . . . . . 42 ASN N . 7015 1 194 . 1 1 43 43 PRO C C 13 177.59 . . . . . . . 43 PRO C . 7015 1 195 . 1 1 43 43 PRO CA C 13 62.4 . . . . . . . 43 PRO CA . 7015 1 196 . 1 1 43 43 PRO CB C 13 32.08 . . . . . . . 43 PRO CB . 7015 1 197 . 1 1 44 44 THR H H 1 8.77 . . . . . . . 44 THR H . 7015 1 198 . 1 1 44 44 THR C C 13 175.45 . . . . . . . 44 THR C . 7015 1 199 . 1 1 44 44 THR CA C 13 60.58 . . . . . . . 44 THR CA . 7015 1 200 . 1 1 44 44 THR CB C 13 68.11 . . . . . . . 44 THR CB . 7015 1 201 . 1 1 44 44 THR N N 15 112.8 . . . . . . . 44 THR N . 7015 1 202 . 1 1 45 45 GLU H H 1 9.052 . . . . . . . 45 GLU H . 7015 1 203 . 1 1 45 45 GLU C C 13 178.97 . . . . . . . 45 GLU C . 7015 1 204 . 1 1 45 45 GLU CA C 13 60.16 . . . . . . . 45 GLU CA . 7015 1 205 . 1 1 45 45 GLU CB C 13 29.19 . . . . . . . 45 GLU CB . 7015 1 206 . 1 1 45 45 GLU N N 15 120.45 . . . . . . . 45 GLU N . 7015 1 207 . 1 1 46 46 ALA H H 1 8.297 . . . . . . . 46 ALA H . 7015 1 208 . 1 1 46 46 ALA C C 13 180.23 . . . . . . . 46 ALA C . 7015 1 209 . 1 1 46 46 ALA CA C 13 55.09 . . . . . . . 46 ALA CA . 7015 1 210 . 1 1 46 46 ALA CB C 13 18.26 . . . . . . . 46 ALA CB . 7015 1 211 . 1 1 46 46 ALA N N 15 120.72 . . . . . . . 46 ALA N . 7015 1 212 . 1 1 47 47 GLU H H 1 7.701 . . . . . . . 47 GLU H . 7015 1 213 . 1 1 47 47 GLU C C 13 179.42 . . . . . . . 47 GLU C . 7015 1 214 . 1 1 47 47 GLU CA C 13 59.07 . . . . . . . 47 GLU CA . 7015 1 215 . 1 1 47 47 GLU CB C 13 29.8 . . . . . . . 47 GLU CB . 7015 1 216 . 1 1 47 47 GLU N N 15 118.42 . . . . . . . 47 GLU N . 7015 1 217 . 1 1 48 48 LEU H H 1 8.104 . . . . . . . 48 LEU H . 7015 1 218 . 1 1 48 48 LEU CA C 13 57.98 . . . . . . . 48 LEU CA . 7015 1 219 . 1 1 48 48 LEU CB C 13 42.25 . . . . . . . 48 LEU CB . 7015 1 220 . 1 1 48 48 LEU N N 15 122.07 . . . . . . . 48 LEU N . 7015 1 221 . 1 1 49 49 GLN H H 1 8.16 . . . . . . . 49 GLN H . 7015 1 222 . 1 1 49 49 GLN C C 13 178.41 . . . . . . . 49 GLN C . 7015 1 223 . 1 1 49 49 GLN CA C 13 58.56 . . . . . . . 49 GLN CA . 7015 1 224 . 1 1 49 49 GLN CB C 13 28.22 . . . . . . . 49 GLN CB . 7015 1 225 . 1 1 49 49 GLN N N 15 118.2 . . . . . . . 49 GLN N . 7015 1 226 . 1 1 50 50 ASP H H 1 8.057 . . . . . . . 50 ASP H . 7015 1 227 . 1 1 50 50 ASP C C 13 178.7 . . . . . . . 50 ASP C . 7015 1 228 . 1 1 50 50 ASP CA C 13 57.56 . . . . . . . 50 ASP CA . 7015 1 229 . 1 1 50 50 ASP CB C 13 40.33 . . . . . . . 50 ASP CB . 7015 1 230 . 1 1 50 50 ASP N N 15 119.77 . . . . . . . 50 ASP N . 7015 1 231 . 1 1 51 51 MET H H 1 7.886 . . . . . . . 51 MET H . 7015 1 232 . 1 1 51 51 MET CA C 13 59.46 . . . . . . . 51 MET CA . 7015 1 233 . 1 1 51 51 MET CB C 13 33.38 . . . . . . . 51 MET CB . 7015 1 234 . 1 1 51 51 MET N N 15 119.5 . . . . . . . 51 MET N . 7015 1 235 . 1 1 52 52 ILE H H 1 7.798 . . . . . . . 52 ILE H . 7015 1 236 . 1 1 52 52 ILE C C 13 177.7 . . . . . . . 52 ILE C . 7015 1 237 . 1 1 52 52 ILE CA C 13 65.13 . . . . . . . 52 ILE CA . 7015 1 238 . 1 1 52 52 ILE CB C 13 37.36 . . . . . . . 52 ILE CB . 7015 1 239 . 1 1 52 52 ILE N N 15 118.12 . . . . . . . 52 ILE N . 7015 1 240 . 1 1 53 53 ASN H H 1 8.427 . . . . . . . 53 ASN H . 7015 1 241 . 1 1 53 53 ASN C C 13 177.39 . . . . . . . 53 ASN C . 7015 1 242 . 1 1 53 53 ASN CA C 13 55.84 . . . . . . . 53 ASN CA . 7015 1 243 . 1 1 53 53 ASN CB C 13 38 . . . . . . . 53 ASN CB . 7015 1 244 . 1 1 53 53 ASN N N 15 117.34 . . . . . . . 53 ASN N . 7015 1 245 . 1 1 54 54 GLU H H 1 7.621 . . . . . . . 54 GLU H . 7015 1 246 . 1 1 54 54 GLU C C 13 177.8 . . . . . . . 54 GLU C . 7015 1 247 . 1 1 54 54 GLU CA C 13 58.93 . . . . . . . 54 GLU CA . 7015 1 248 . 1 1 54 54 GLU CB C 13 30.38 . . . . . . . 54 GLU CB . 7015 1 249 . 1 1 54 54 GLU N N 15 117.07 . . . . . . . 54 GLU N . 7015 1 250 . 1 1 55 55 VAL H H 1 7.288 . . . . . . . 55 VAL H . 7015 1 251 . 1 1 55 55 VAL C C 13 175.97 . . . . . . . 55 VAL C . 7015 1 252 . 1 1 55 55 VAL CA C 13 61.03 . . . . . . . 55 VAL CA . 7015 1 253 . 1 1 55 55 VAL CB C 13 32.8 . . . . . . . 55 VAL CB . 7015 1 254 . 1 1 55 55 VAL N N 15 108.67 . . . . . . . 55 VAL N . 7015 1 255 . 1 1 56 56 ASP H H 1 7.795 . . . . . . . 56 ASP H . 7015 1 256 . 1 1 56 56 ASP C C 13 176.38 . . . . . . . 56 ASP C . 7015 1 257 . 1 1 56 56 ASP CA C 13 53.92 . . . . . . . 56 ASP CA . 7015 1 258 . 1 1 56 56 ASP CB C 13 40.12 . . . . . . . 56 ASP CB . 7015 1 259 . 1 1 56 56 ASP N N 15 121.93 . . . . . . . 56 ASP N . 7015 1 260 . 1 1 57 57 ALA H H 1 8.549 . . . . . . . 57 ALA H . 7015 1 261 . 1 1 57 57 ALA C C 13 178.62 . . . . . . . 57 ALA C . 7015 1 262 . 1 1 57 57 ALA CA C 13 54.22 . . . . . . . 57 ALA CA . 7015 1 263 . 1 1 57 57 ALA CB C 13 19.48 . . . . . . . 57 ALA CB . 7015 1 264 . 1 1 57 57 ALA N N 15 131.65 . . . . . . . 57 ALA N . 7015 1 265 . 1 1 58 58 ASP H H 1 8.14 . . . . . . . 58 ASP H . 7015 1 266 . 1 1 58 58 ASP C C 13 178.29 . . . . . . . 58 ASP C . 7015 1 267 . 1 1 58 58 ASP CA C 13 52.6 . . . . . . . 58 ASP CA . 7015 1 268 . 1 1 58 58 ASP CB C 13 39.7 . . . . . . . 58 ASP CB . 7015 1 269 . 1 1 58 58 ASP N N 15 114 . . . . . . . 58 ASP N . 7015 1 270 . 1 1 59 59 GLY H H 1 7.607 . . . . . . . 59 GLY H . 7015 1 271 . 1 1 59 59 GLY CA C 13 47.2 . . . . . . . 59 GLY CA . 7015 1 272 . 1 1 59 59 GLY N N 15 108.67 . . . . . . . 59 GLY N . 7015 1 273 . 1 1 60 60 ASN H H 1 8.06 . . . . . . . 60 ASN H . 7015 1 274 . 1 1 60 60 ASN C C 13 176.85 . . . . . . . 60 ASN C . 7015 1 275 . 1 1 60 60 ASN CA C 13 52.42 . . . . . . . 60 ASN CA . 7015 1 276 . 1 1 60 60 ASN CB C 13 37.85 . . . . . . . 60 ASN CB . 7015 1 277 . 1 1 60 60 ASN N N 15 118.2 . . . . . . . 60 ASN N . 7015 1 278 . 1 1 61 61 GLY H H 1 10.594 . . . . . . . 61 GLY H . 7015 1 279 . 1 1 61 61 GLY C C 13 173.32 . . . . . . . 61 GLY C . 7015 1 280 . 1 1 61 61 GLY CA C 13 45.78 . . . . . . . 61 GLY CA . 7015 1 281 . 1 1 61 61 GLY N N 15 113.56 . . . . . . . 61 GLY N . 7015 1 282 . 1 1 62 62 THR H H 1 7.682 . . . . . . . 62 THR H . 7015 1 283 . 1 1 62 62 THR C C 13 173.14 . . . . . . . 62 THR C . 7015 1 284 . 1 1 62 62 THR CA C 13 59.56 . . . . . . . 62 THR CA . 7015 1 285 . 1 1 62 62 THR CB C 13 68.89 . . . . . . . 62 THR CB . 7015 1 286 . 1 1 62 62 THR N N 15 109.24 . . . . . . . 62 THR N . 7015 1 287 . 1 1 63 63 ILE H H 1 8.979 . . . . . . . 63 ILE H . 7015 1 288 . 1 1 63 63 ILE C C 13 175.3 . . . . . . . 63 ILE C . 7015 1 289 . 1 1 63 63 ILE CA C 13 59.6 . . . . . . . 63 ILE CA . 7015 1 290 . 1 1 63 63 ILE CB C 13 39.65 . . . . . . . 63 ILE CB . 7015 1 291 . 1 1 63 63 ILE N N 15 123.28 . . . . . . . 63 ILE N . 7015 1 292 . 1 1 64 64 ASP H H 1 8.736 . . . . . . . 64 ASP H . 7015 1 293 . 1 1 64 64 ASP C C 13 176.27 . . . . . . . 64 ASP C . 7015 1 294 . 1 1 64 64 ASP CA C 13 52.09 . . . . . . . 64 ASP CA . 7015 1 295 . 1 1 64 64 ASP CB C 13 42.01 . . . . . . . 64 ASP CB . 7015 1 296 . 1 1 64 64 ASP N N 15 127.87 . . . . . . . 64 ASP N . 7015 1 297 . 1 1 65 65 PHE H H 1 8.858 . . . . . . . 65 PHE H . 7015 1 298 . 1 1 65 65 PHE CA C 13 63.74 . . . . . . . 65 PHE CA . 7015 1 299 . 1 1 65 65 PHE CB C 13 35.99 . . . . . . . 65 PHE CB . 7015 1 300 . 1 1 65 65 PHE N N 15 118.56 . . . . . . . 65 PHE N . 7015 1 301 . 1 1 66 66 PRO CA C 13 66.58 . . . . . . . 66 PRO CA . 7015 1 302 . 1 1 66 66 PRO CB C 13 30.58 . . . . . . . 66 PRO CB . 7015 1 303 . 1 1 67 67 GLU H H 1 8.03 . . . . . . . 67 GLU H . 7015 1 304 . 1 1 67 67 GLU C C 13 178.73 . . . . . . . 67 GLU C . 7015 1 305 . 1 1 67 67 GLU CA C 13 58.94 . . . . . . . 67 GLU CA . 7015 1 306 . 1 1 67 67 GLU CB C 13 29.59 . . . . . . . 67 GLU CB . 7015 1 307 . 1 1 67 67 GLU N N 15 118.2 . . . . . . . 67 GLU N . 7015 1 308 . 1 1 68 68 PHE H H 1 8.88 . . . . . . . 68 PHE H . 7015 1 309 . 1 1 68 68 PHE C C 13 176.99 . . . . . . . 68 PHE C . 7015 1 310 . 1 1 68 68 PHE CA C 13 61.38 . . . . . . . 68 PHE CA . 7015 1 311 . 1 1 68 68 PHE CB C 13 39.89 . . . . . . . 68 PHE CB . 7015 1 312 . 1 1 68 68 PHE N N 15 123.3 . . . . . . . 68 PHE N . 7015 1 313 . 1 1 69 69 LEU H H 1 8.42 . . . . . . . 69 LEU H . 7015 1 314 . 1 1 69 69 LEU C C 13 179.2 . . . . . . . 69 LEU C . 7015 1 315 . 1 1 69 69 LEU CA C 13 57.83 . . . . . . . 69 LEU CA . 7015 1 316 . 1 1 69 69 LEU CB C 13 40.88 . . . . . . . 69 LEU CB . 7015 1 317 . 1 1 69 69 LEU N N 15 119 . . . . . . . 69 LEU N . 7015 1 318 . 1 1 70 70 SER H H 1 7.457 . . . . . . . 70 SER H . 7015 1 319 . 1 1 70 70 SER C C 13 176.71 . . . . . . . 70 SER C . 7015 1 320 . 1 1 70 70 SER CA C 13 61.54 . . . . . . . 70 SER CA . 7015 1 321 . 1 1 70 70 SER CB C 13 62.73 . . . . . . . 70 SER CB . 7015 1 322 . 1 1 70 70 SER N N 15 113.97 . . . . . . . 70 SER N . 7015 1 323 . 1 1 71 71 LEU H H 1 7.775 . . . . . . . 71 LEU H . 7015 1 324 . 1 1 71 71 LEU C C 13 178.43 . . . . . . . 71 LEU C . 7015 1 325 . 1 1 71 71 LEU CA C 13 58.05 . . . . . . . 71 LEU CA . 7015 1 326 . 1 1 71 71 LEU CB C 13 41.9 . . . . . . . 71 LEU CB . 7015 1 327 . 1 1 71 71 LEU N N 15 123.15 . . . . . . . 71 LEU N . 7015 1 328 . 1 1 72 72 MET H H 1 8.072 . . . . . . . 72 MET H . 7015 1 329 . 1 1 72 72 MET CA C 13 55.92 . . . . . . . 72 MET CA . 7015 1 330 . 1 1 72 72 MET CB C 13 31.28 . . . . . . . 72 MET CB . 7015 1 331 . 1 1 72 72 MET N N 15 116.53 . . . . . . . 72 MET N . 7015 1 332 . 1 1 73 73 ALA H H 1 8.153 . . . . . . . 73 ALA H . 7015 1 333 . 1 1 73 73 ALA C C 13 179.73 . . . . . . . 73 ALA C . 7015 1 334 . 1 1 73 73 ALA CA C 13 54.72 . . . . . . . 73 ALA CA . 7015 1 335 . 1 1 73 73 ALA CB C 13 18.22 . . . . . . . 73 ALA CB . 7015 1 336 . 1 1 73 73 ALA N N 15 121.53 . . . . . . . 73 ALA N . 7015 1 337 . 1 1 74 74 ARG H H 1 7.507 . . . . . . . 74 ARG H . 7015 1 338 . 1 1 74 74 ARG C C 13 178.27 . . . . . . . 74 ARG C . 7015 1 339 . 1 1 74 74 ARG CA C 13 58.54 . . . . . . . 74 ARG CA . 7015 1 340 . 1 1 74 74 ARG CB C 13 30.14 . . . . . . . 74 ARG CB . 7015 1 341 . 1 1 74 74 ARG N N 15 117.34 . . . . . . . 74 ARG N . 7015 1 342 . 1 1 75 75 LYS H H 1 7.98 . . . . . . . 75 LYS H . 7015 1 343 . 1 1 75 75 LYS C C 13 178.27 . . . . . . . 75 LYS C . 7015 1 344 . 1 1 75 75 LYS CA C 13 57.29 . . . . . . . 75 LYS CA . 7015 1 345 . 1 1 75 75 LYS CB C 13 31.91 . . . . . . . 75 LYS CB . 7015 1 346 . 1 1 75 75 LYS N N 15 118.9 . . . . . . . 75 LYS N . 7015 1 347 . 1 1 76 76 MET H H 1 8.09 . . . . . . . 76 MET H . 7015 1 348 . 1 1 76 76 MET CA C 13 57.18 . . . . . . . 76 MET CA . 7015 1 349 . 1 1 76 76 MET CB C 13 32.84 . . . . . . . 76 MET CB . 7015 1 350 . 1 1 76 76 MET N N 15 118.7 . . . . . . . 76 MET N . 7015 1 351 . 1 1 77 77 LYS H H 1 7.78 . . . . . . . 77 LYS H . 7015 1 352 . 1 1 77 77 LYS C C 13 177.45 . . . . . . . 77 LYS C . 7015 1 353 . 1 1 77 77 LYS CA C 13 57.18 . . . . . . . 77 LYS CA . 7015 1 354 . 1 1 77 77 LYS CB C 13 32.73 . . . . . . . 77 LYS CB . 7015 1 355 . 1 1 77 77 LYS N N 15 120.3 . . . . . . . 77 LYS N . 7015 1 356 . 1 1 78 78 GLU H H 1 8.18 . . . . . . . 78 GLU H . 7015 1 357 . 1 1 78 78 GLU C C 13 177.21 . . . . . . . 78 GLU C . 7015 1 358 . 1 1 78 78 GLU CA C 13 57.5 . . . . . . . 78 GLU CA . 7015 1 359 . 1 1 78 78 GLU CB C 13 29.94 . . . . . . . 78 GLU CB . 7015 1 360 . 1 1 78 78 GLU N N 15 120.9 . . . . . . . 78 GLU N . 7015 1 361 . 1 1 79 79 GLN H H 1 8.201 . . . . . . . 79 GLN H . 7015 1 362 . 1 1 79 79 GLN C C 13 176.28 . . . . . . . 79 GLN C . 7015 1 363 . 1 1 79 79 GLN CA C 13 56.58 . . . . . . . 79 GLN CA . 7015 1 364 . 1 1 79 79 GLN CB C 13 29.43 . . . . . . . 79 GLN CB . 7015 1 365 . 1 1 79 79 GLN N N 15 120.45 . . . . . . . 79 GLN N . 7015 1 366 . 1 1 80 80 ASP H H 1 8.389 . . . . . . . 80 ASP H . 7015 1 367 . 1 1 80 80 ASP C C 13 176.84 . . . . . . . 80 ASP C . 7015 1 368 . 1 1 80 80 ASP CA C 13 55.05 . . . . . . . 80 ASP CA . 7015 1 369 . 1 1 80 80 ASP CB C 13 41.19 . . . . . . . 80 ASP CB . 7015 1 370 . 1 1 80 80 ASP N N 15 121.86 . . . . . . . 80 ASP N . 7015 1 371 . 1 1 81 81 SER H H 1 8.351 . . . . . . . 81 SER H . 7015 1 372 . 1 1 81 81 SER C C 13 175.37 . . . . . . . 81 SER C . 7015 1 373 . 1 1 81 81 SER CA C 13 59.21 . . . . . . . 81 SER CA . 7015 1 374 . 1 1 81 81 SER CB C 13 63.88 . . . . . . . 81 SER CB . 7015 1 375 . 1 1 81 81 SER N N 15 116.46 . . . . . . . 81 SER N . 7015 1 376 . 1 1 82 82 GLU H H 1 8.509 . . . . . . . 82 GLU H . 7015 1 377 . 1 1 82 82 GLU C C 13 175.07 . . . . . . . 82 GLU C . 7015 1 378 . 1 1 82 82 GLU CA C 13 58.54 . . . . . . . 82 GLU CA . 7015 1 379 . 1 1 82 82 GLU CB C 13 29.76 . . . . . . . 82 GLU CB . 7015 1 380 . 1 1 82 82 GLU N N 15 123.15 . . . . . . . 82 GLU N . 7015 1 381 . 1 1 83 83 GLU H H 1 8.396 . . . . . . . 83 GLU H . 7015 1 382 . 1 1 83 83 GLU C C 13 178.46 . . . . . . . 83 GLU C . 7015 1 383 . 1 1 83 83 GLU CA C 13 59.3 . . . . . . . 83 GLU CA . 7015 1 384 . 1 1 83 83 GLU CB C 13 29.4 . . . . . . . 83 GLU CB . 7015 1 385 . 1 1 83 83 GLU N N 15 119.23 . . . . . . . 83 GLU N . 7015 1 386 . 1 1 84 84 GLU H H 1 8.232 . . . . . . . 84 GLU H . 7015 1 387 . 1 1 84 84 GLU C C 13 180.25 . . . . . . . 84 GLU C . 7015 1 388 . 1 1 84 84 GLU CA C 13 58.96 . . . . . . . 84 GLU CA . 7015 1 389 . 1 1 84 84 GLU CB C 13 29.86 . . . . . . . 84 GLU CB . 7015 1 390 . 1 1 84 84 GLU N N 15 119 . . . . . . . 84 GLU N . 7015 1 391 . 1 1 85 85 LEU H H 1 8.27 . . . . . . . 85 LEU H . 7015 1 392 . 1 1 85 85 LEU C C 13 178.83 . . . . . . . 85 LEU C . 7015 1 393 . 1 1 85 85 LEU CA C 13 57.93 . . . . . . . 85 LEU CA . 7015 1 394 . 1 1 85 85 LEU CB C 13 42.19 . . . . . . . 85 LEU CB . 7015 1 395 . 1 1 85 85 LEU N N 15 120.6 . . . . . . . 85 LEU N . 7015 1 396 . 1 1 86 86 ILE H H 1 8.3 . . . . . . . 86 ILE H . 7015 1 397 . 1 1 86 86 ILE C C 13 178.45 . . . . . . . 86 ILE C . 7015 1 398 . 1 1 86 86 ILE CA C 13 65.01 . . . . . . . 86 ILE CA . 7015 1 399 . 1 1 86 86 ILE CB C 13 38.19 . . . . . . . 86 ILE CB . 7015 1 400 . 1 1 86 86 ILE N N 15 121.7 . . . . . . . 86 ILE N . 7015 1 401 . 1 1 87 87 GLU H H 1 7.93 . . . . . . . 87 GLU H . 7015 1 402 . 1 1 87 87 GLU C C 13 179.44 . . . . . . . 87 GLU C . 7015 1 403 . 1 1 87 87 GLU CA C 13 59.03 . . . . . . . 87 GLU CA . 7015 1 404 . 1 1 87 87 GLU CB C 13 29.13 . . . . . . . 87 GLU CB . 7015 1 405 . 1 1 87 87 GLU N N 15 118.4 . . . . . . . 87 GLU N . 7015 1 406 . 1 1 88 88 ALA H H 1 8.09 . . . . . . . 88 ALA H . 7015 1 407 . 1 1 88 88 ALA C C 13 179.5 . . . . . . . 88 ALA C . 7015 1 408 . 1 1 88 88 ALA CA C 13 55.21 . . . . . . . 88 ALA CA . 7015 1 409 . 1 1 88 88 ALA CB C 13 18.22 . . . . . . . 88 ALA CB . 7015 1 410 . 1 1 88 88 ALA N N 15 122.2 . . . . . . . 88 ALA N . 7015 1 411 . 1 1 89 89 PHE H H 1 8.65 . . . . . . . 89 PHE H . 7015 1 412 . 1 1 89 89 PHE C C 13 176.88 . . . . . . . 89 PHE C . 7015 1 413 . 1 1 89 89 PHE CA C 13 62.29 . . . . . . . 89 PHE CA . 7015 1 414 . 1 1 89 89 PHE CB C 13 39.31 . . . . . . . 89 PHE CB . 7015 1 415 . 1 1 89 89 PHE N N 15 120.1 . . . . . . . 89 PHE N . 7015 1 416 . 1 1 90 90 LYS H H 1 7.85 . . . . . . . 90 LYS H . 7015 1 417 . 1 1 90 90 LYS C C 13 178.24 . . . . . . . 90 LYS C . 7015 1 418 . 1 1 90 90 LYS CA C 13 59.38 . . . . . . . 90 LYS CA . 7015 1 419 . 1 1 90 90 LYS CB C 13 32.8 . . . . . . . 90 LYS CB . 7015 1 420 . 1 1 90 90 LYS N N 15 116 . . . . . . . 90 LYS N . 7015 1 421 . 1 1 91 91 VAL H H 1 7.361 . . . . . . . 91 VAL H . 7015 1 422 . 1 1 91 91 VAL C C 13 177.31 . . . . . . . 91 VAL C . 7015 1 423 . 1 1 91 91 VAL CA C 13 65.83 . . . . . . . 91 VAL CA . 7015 1 424 . 1 1 91 91 VAL CB C 13 31.65 . . . . . . . 91 VAL CB . 7015 1 425 . 1 1 91 91 VAL N N 15 118.42 . . . . . . . 91 VAL N . 7015 1 426 . 1 1 92 92 PHE H H 1 7.221 . . . . . . . 92 PHE H . 7015 1 427 . 1 1 92 92 PHE CA C 13 60.48 . . . . . . . 92 PHE CA . 7015 1 428 . 1 1 92 92 PHE CB C 13 40.82 . . . . . . . 92 PHE CB . 7015 1 429 . 1 1 92 92 PHE N N 15 116.13 . . . . . . . 92 PHE N . 7015 1 430 . 1 1 93 93 ASP H H 1 7.891 . . . . . . . 93 ASP H . 7015 1 431 . 1 1 93 93 ASP C C 13 177.4 . . . . . . . 93 ASP C . 7015 1 432 . 1 1 93 93 ASP CA C 13 52.24 . . . . . . . 93 ASP CA . 7015 1 433 . 1 1 93 93 ASP CB C 13 38.59 . . . . . . . 93 ASP CB . 7015 1 434 . 1 1 93 93 ASP N N 15 116.13 . . . . . . . 93 ASP N . 7015 1 435 . 1 1 94 94 ARG H H 1 7.747 . . . . . . . 94 ARG H . 7015 1 436 . 1 1 94 94 ARG C C 13 178 . . . . . . . 94 ARG C . 7015 1 437 . 1 1 94 94 ARG CA C 13 59.26 . . . . . . . 94 ARG CA . 7015 1 438 . 1 1 94 94 ARG CB C 13 30.75 . . . . . . . 94 ARG CB . 7015 1 439 . 1 1 94 94 ARG N N 15 124.93 . . . . . . . 94 ARG N . 7015 1 440 . 1 1 95 95 ASP H H 1 8.212 . . . . . . . 95 ASP H . 7015 1 441 . 1 1 95 95 ASP C C 13 177.96 . . . . . . . 95 ASP C . 7015 1 442 . 1 1 95 95 ASP CA C 13 53.02 . . . . . . . 95 ASP CA . 7015 1 443 . 1 1 95 95 ASP CB C 13 39.72 . . . . . . . 95 ASP CB . 7015 1 444 . 1 1 95 95 ASP N N 15 114.1 . . . . . . . 95 ASP N . 7015 1 445 . 1 1 96 96 GLY H H 1 7.769 . . . . . . . 96 GLY H . 7015 1 446 . 1 1 96 96 GLY C C 13 175.08 . . . . . . . 96 GLY C . 7015 1 447 . 1 1 96 96 GLY CA C 13 47.25 . . . . . . . 96 GLY CA . 7015 1 448 . 1 1 96 96 GLY N N 15 108.7 . . . . . . . 96 GLY N . 7015 1 449 . 1 1 97 97 ASN H H 1 8.207 . . . . . . . 97 ASN H . 7015 1 450 . 1 1 97 97 ASN C C 13 176.14 . . . . . . . 97 ASN C . 7015 1 451 . 1 1 97 97 ASN CA C 13 52.59 . . . . . . . 97 ASN CA . 7015 1 452 . 1 1 97 97 ASN CB C 13 37.86 . . . . . . . 97 ASN CB . 7015 1 453 . 1 1 97 97 ASN N N 15 119.23 . . . . . . . 97 ASN N . 7015 1 454 . 1 1 98 98 GLY H H 1 10.895 . . . . . . . 98 GLY H . 7015 1 455 . 1 1 98 98 GLY C C 13 172.95 . . . . . . . 98 GLY C . 7015 1 456 . 1 1 98 98 GLY CA C 13 45.55 . . . . . . . 98 GLY CA . 7015 1 457 . 1 1 98 98 GLY N N 15 113.7 . . . . . . . 98 GLY N . 7015 1 458 . 1 1 99 99 LEU H H 1 7.487 . . . . . . . 99 LEU H . 7015 1 459 . 1 1 99 99 LEU C C 13 175.64 . . . . . . . 99 LEU C . 7015 1 460 . 1 1 99 99 LEU CA C 13 52.74 . . . . . . . 99 LEU CA . 7015 1 461 . 1 1 99 99 LEU CB C 13 46.5 . . . . . . . 99 LEU CB . 7015 1 462 . 1 1 99 99 LEU N N 15 119.23 . . . . . . . 99 LEU N . 7015 1 463 . 1 1 100 100 ILE H H 1 9.993 . . . . . . . 100 ILE H . 7015 1 464 . 1 1 100 100 ILE C C 13 175.92 . . . . . . . 100 ILE C . 7015 1 465 . 1 1 100 100 ILE CA C 13 61.25 . . . . . . . 100 ILE CA . 7015 1 466 . 1 1 100 100 ILE CB C 13 38.63 . . . . . . . 100 ILE CB . 7015 1 467 . 1 1 100 100 ILE N N 15 128.14 . . . . . . . 100 ILE N . 7015 1 468 . 1 1 101 101 SER H H 1 9.32 . . . . . . . 101 SER H . 7015 1 469 . 1 1 101 101 SER C C 13 174.99 . . . . . . . 101 SER C . 7015 1 470 . 1 1 101 101 SER CA C 13 55.7 . . . . . . . 101 SER CA . 7015 1 471 . 1 1 101 101 SER CB C 13 67.1 . . . . . . . 101 SER CB . 7015 1 472 . 1 1 101 101 SER N N 15 124.2 . . . . . . . 101 SER N . 7015 1 473 . 1 1 102 102 ALA H H 1 9.17 . . . . . . . 102 ALA H . 7015 1 474 . 1 1 102 102 ALA CA C 13 55.8 . . . . . . . 102 ALA CA . 7015 1 475 . 1 1 102 102 ALA CB C 13 18.1 . . . . . . . 102 ALA CB . 7015 1 476 . 1 1 102 102 ALA N N 15 123.3 . . . . . . . 102 ALA N . 7015 1 477 . 1 1 103 103 ALA H H 1 8.22 . . . . . . . 103 ALA H . 7015 1 478 . 1 1 103 103 ALA C C 13 181.64 . . . . . . . 103 ALA C . 7015 1 479 . 1 1 103 103 ALA CA C 13 55.15 . . . . . . . 103 ALA CA . 7015 1 480 . 1 1 103 103 ALA CB C 13 18.45 . . . . . . . 103 ALA CB . 7015 1 481 . 1 1 103 103 ALA N N 15 118.4 . . . . . . . 103 ALA N . 7015 1 482 . 1 1 104 104 GLU H H 1 7.882 . . . . . . . 104 GLU H . 7015 1 483 . 1 1 104 104 GLU C C 13 178.76 . . . . . . . 104 GLU C . 7015 1 484 . 1 1 104 104 GLU CA C 13 59.59 . . . . . . . 104 GLU CA . 7015 1 485 . 1 1 104 104 GLU CB C 13 29.06 . . . . . . . 104 GLU CB . 7015 1 486 . 1 1 104 104 GLU N N 15 120.51 . . . . . . . 104 GLU N . 7015 1 487 . 1 1 105 105 LEU H H 1 8.617 . . . . . . . 105 LEU H . 7015 1 488 . 1 1 105 105 LEU C C 13 178.56 . . . . . . . 105 LEU C . 7015 1 489 . 1 1 105 105 LEU CA C 13 58.61 . . . . . . . 105 LEU CA . 7015 1 490 . 1 1 105 105 LEU CB C 13 42.47 . . . . . . . 105 LEU CB . 7015 1 491 . 1 1 105 105 LEU N N 15 120.58 . . . . . . . 105 LEU N . 7015 1 492 . 1 1 106 106 ARG H H 1 8.622 . . . . . . . 106 ARG H . 7015 1 493 . 1 1 106 106 ARG CA C 13 59.84 . . . . . . . 106 ARG CA . 7015 1 494 . 1 1 106 106 ARG CB C 13 30.68 . . . . . . . 106 ARG CB . 7015 1 495 . 1 1 106 106 ARG N N 15 117.07 . . . . . . . 106 ARG N . 7015 1 496 . 1 1 107 107 HIS H H 1 7.977 . . . . . . . 107 HIS H . 7015 1 497 . 1 1 107 107 HIS CA C 13 59.92 . . . . . . . 107 HIS CA . 7015 1 498 . 1 1 107 107 HIS CB C 13 30.95 . . . . . . . 107 HIS CB . 7015 1 499 . 1 1 107 107 HIS N N 15 119.23 . . . . . . . 107 HIS N . 7015 1 500 . 1 1 108 108 VAL H H 1 8.11 . . . . . . . 108 VAL H . 7015 1 501 . 1 1 108 108 VAL C C 13 178.11 . . . . . . . 108 VAL C . 7015 1 502 . 1 1 108 108 VAL CA C 13 66.34 . . . . . . . 108 VAL CA . 7015 1 503 . 1 1 108 108 VAL CB C 13 31.96 . . . . . . . 108 VAL CB . 7015 1 504 . 1 1 108 108 VAL N N 15 118.7 . . . . . . . 108 VAL N . 7015 1 505 . 1 1 109 109 MET H H 1 8.39 . . . . . . . 109 MET H . 7015 1 506 . 1 1 109 109 MET C C 13 178.6 . . . . . . . 109 MET C . 7015 1 507 . 1 1 109 109 MET CA C 13 57.9 . . . . . . . 109 MET CA . 7015 1 508 . 1 1 109 109 MET CB C 13 31.28 . . . . . . . 109 MET CB . 7015 1 509 . 1 1 109 109 MET N N 15 116.7 . . . . . . . 109 MET N . 7015 1 510 . 1 1 110 110 THR H H 1 8.08 . . . . . . . 110 THR H . 7015 1 511 . 1 1 110 110 THR C C 13 177.58 . . . . . . . 110 THR C . 7015 1 512 . 1 1 110 110 THR CA C 13 65.7 . . . . . . . 110 THR CA . 7015 1 513 . 1 1 110 110 THR CB C 13 69.00 . . . . . . . 110 THR CB . 7015 1 514 . 1 1 110 110 THR N N 15 114.7 . . . . . . . 110 THR N . 7015 1 515 . 1 1 111 111 ASN H H 1 7.87 . . . . . . . 111 ASN H . 7015 1 516 . 1 1 111 111 ASN CA C 13 55.65 . . . . . . . 111 ASN CA . 7015 1 517 . 1 1 111 111 ASN CB C 13 38.35 . . . . . . . 111 ASN CB . 7015 1 518 . 1 1 111 111 ASN N N 15 122.07 . . . . . . . 111 ASN N . 7015 1 519 . 1 1 112 112 LEU H H 1 7.927 . . . . . . . 112 LEU H . 7015 1 520 . 1 1 112 112 LEU C C 13 177.36 . . . . . . . 112 LEU C . 7015 1 521 . 1 1 112 112 LEU CA C 13 55.37 . . . . . . . 112 LEU CA . 7015 1 522 . 1 1 112 112 LEU CB C 13 42.04 . . . . . . . 112 LEU CB . 7015 1 523 . 1 1 112 112 LEU N N 15 119.23 . . . . . . . 112 LEU N . 7015 1 524 . 1 1 113 113 GLY H H 1 7.847 . . . . . . . 113 GLY H . 7015 1 525 . 1 1 113 113 GLY C C 13 174.36 . . . . . . . 113 GLY C . 7015 1 526 . 1 1 113 113 GLY CA C 13 45.47 . . . . . . . 113 GLY CA . 7015 1 527 . 1 1 113 113 GLY N N 15 106.78 . . . . . . . 113 GLY N . 7015 1 528 . 1 1 114 114 GLU H H 1 7.939 . . . . . . . 114 GLU H . 7015 1 529 . 1 1 114 114 GLU C C 13 175.59 . . . . . . . 114 GLU C . 7015 1 530 . 1 1 114 114 GLU CA C 13 55.31 . . . . . . . 114 GLU CA . 7015 1 531 . 1 1 114 114 GLU CB C 13 30.38 . . . . . . . 114 GLU CB . 7015 1 532 . 1 1 114 114 GLU N N 15 120.45 . . . . . . . 114 GLU N . 7015 1 533 . 1 1 115 115 LYS H H 1 8.547 . . . . . . . 115 LYS H . 7015 1 534 . 1 1 115 115 LYS C C 13 175.72 . . . . . . . 115 LYS C . 7015 1 535 . 1 1 115 115 LYS CA C 13 55.63 . . . . . . . 115 LYS CA . 7015 1 536 . 1 1 115 115 LYS CB C 13 32.07 . . . . . . . 115 LYS CB . 7015 1 537 . 1 1 115 115 LYS N N 15 123.82 . . . . . . . 115 LYS N . 7015 1 538 . 1 1 116 116 LEU H H 1 8.101 . . . . . . . 116 LEU H . 7015 1 539 . 1 1 116 116 LEU C C 13 178.05 . . . . . . . 116 LEU C . 7015 1 540 . 1 1 116 116 LEU CA C 13 54.18 . . . . . . . 116 LEU CA . 7015 1 541 . 1 1 116 116 LEU CB C 13 44.75 . . . . . . . 116 LEU CB . 7015 1 542 . 1 1 116 116 LEU N N 15 124.93 . . . . . . . 116 LEU N . 7015 1 543 . 1 1 117 117 THR H H 1 9.218 . . . . . . . 117 THR H . 7015 1 544 . 1 1 117 117 THR C C 13 175.53 . . . . . . . 117 THR C . 7015 1 545 . 1 1 117 117 THR CA C 13 60.7 . . . . . . . 117 THR CA . 7015 1 546 . 1 1 117 117 THR CB C 13 68.01 . . . . . . . 117 THR CB . 7015 1 547 . 1 1 117 117 THR N N 15 114.78 . . . . . . . 117 THR N . 7015 1 548 . 1 1 118 118 ASP H H 1 8.864 . . . . . . . 118 ASP H . 7015 1 549 . 1 1 118 118 ASP C C 13 178.61 . . . . . . . 118 ASP C . 7015 1 550 . 1 1 118 118 ASP CA C 13 58.06 . . . . . . . 118 ASP CA . 7015 1 551 . 1 1 118 118 ASP CB C 13 39.77 . . . . . . . 118 ASP CB . 7015 1 552 . 1 1 118 118 ASP N N 15 120.9 . . . . . . . 118 ASP N . 7015 1 553 . 1 1 119 119 ASP H H 1 8.3 . . . . . . . 119 ASP H . 7015 1 554 . 1 1 119 119 ASP C C 13 178.65 . . . . . . . 119 ASP C . 7015 1 555 . 1 1 119 119 ASP CA C 13 57.17 . . . . . . . 119 ASP CA . 7015 1 556 . 1 1 119 119 ASP CB C 13 40.35 . . . . . . . 119 ASP CB . 7015 1 557 . 1 1 119 119 ASP N N 15 117.9 . . . . . . . 119 ASP N . 7015 1 558 . 1 1 120 120 GLU H H 1 7.733 . . . . . . . 120 GLU H . 7015 1 559 . 1 1 120 120 GLU CA C 13 59.3 . . . . . . . 120 GLU CA . 7015 1 560 . 1 1 120 120 GLU CB C 13 30.46 . . . . . . . 120 GLU CB . 7015 1 561 . 1 1 120 120 GLU N N 15 120.72 . . . . . . . 120 GLU N . 7015 1 562 . 1 1 121 121 VAL H H 1 8.127 . . . . . . . 121 VAL H . 7015 1 563 . 1 1 121 121 VAL CA C 13 66.98 . . . . . . . 121 VAL CA . 7015 1 564 . 1 1 121 121 VAL CB C 13 31.49 . . . . . . . 121 VAL CB . 7015 1 565 . 1 1 121 121 VAL N N 15 121.53 . . . . . . . 121 VAL N . 7015 1 566 . 1 1 122 122 ASP H H 1 8.01 . . . . . . . 122 ASP H . 7015 1 567 . 1 1 122 122 ASP C C 13 176.98 . . . . . . . 122 ASP C . 7015 1 568 . 1 1 122 122 ASP CA C 13 57.64 . . . . . . . 122 ASP CA . 7015 1 569 . 1 1 122 122 ASP CB C 13 40.45 . . . . . . . 122 ASP CB . 7015 1 570 . 1 1 122 122 ASP N N 15 119.5 . . . . . . . 122 ASP N . 7015 1 571 . 1 1 123 123 GLU H H 1 8.01 . . . . . . . 123 GLU H . 7015 1 572 . 1 1 123 123 GLU CA C 13 59.23 . . . . . . . 123 GLU CA . 7015 1 573 . 1 1 123 123 GLU CB C 13 29.47 . . . . . . . 123 GLU CB . 7015 1 574 . 1 1 123 123 GLU N N 15 119.8 . . . . . . . 123 GLU N . 7015 1 575 . 1 1 124 124 MET H H 1 7.82 . . . . . . . 124 MET H . 7015 1 576 . 1 1 124 124 MET CA C 13 59.37 . . . . . . . 124 MET CA . 7015 1 577 . 1 1 124 124 MET CB C 13 33.2 . . . . . . . 124 MET CB . 7015 1 578 . 1 1 124 124 MET N N 15 119.8 . . . . . . . 124 MET N . 7015 1 579 . 1 1 125 125 ILE H H 1 8 . . . . . . . 125 ILE H . 7015 1 580 . 1 1 125 125 ILE C C 13 178.45 . . . . . . . 125 ILE C . 7015 1 581 . 1 1 125 125 ILE CA C 13 64.73 . . . . . . . 125 ILE CA . 7015 1 582 . 1 1 125 125 ILE CB C 13 36.94 . . . . . . . 125 ILE CB . 7015 1 583 . 1 1 125 125 ILE N N 15 118.2 . . . . . . . 125 ILE N . 7015 1 584 . 1 1 126 126 ARG H H 1 8.24 . . . . . . . 126 ARG H . 7015 1 585 . 1 1 126 126 ARG C C 13 179.35 . . . . . . . 126 ARG C . 7015 1 586 . 1 1 126 126 ARG CA C 13 59.72 . . . . . . . 126 ARG CA . 7015 1 587 . 1 1 126 126 ARG CB C 13 30.27 . . . . . . . 126 ARG CB . 7015 1 588 . 1 1 126 126 ARG N N 15 118.45 . . . . . . . 126 ARG N . 7015 1 589 . 1 1 127 127 GLU H H 1 7.906 . . . . . . . 127 GLU H . 7015 1 590 . 1 1 127 127 GLU C C 13 177.2 . . . . . . . 127 GLU C . 7015 1 591 . 1 1 127 127 GLU CA C 13 58.45 . . . . . . . 127 GLU CA . 7015 1 592 . 1 1 127 127 GLU CB C 13 29.78 . . . . . . . 127 GLU CB . 7015 1 593 . 1 1 127 127 GLU N N 15 115.59 . . . . . . . 127 GLU N . 7015 1 594 . 1 1 128 128 ALA H H 1 7.35 . . . . . . . 128 ALA H . 7015 1 595 . 1 1 128 128 ALA CA C 13 52.1 . . . . . . . 128 ALA CA . 7015 1 596 . 1 1 128 128 ALA CB C 13 21.4 . . . . . . . 128 ALA CB . 7015 1 597 . 1 1 128 128 ALA N N 15 118.7 . . . . . . . 128 ALA N . 7015 1 598 . 1 1 129 129 ASP H H 1 8.05 . . . . . . . 129 ASP H . 7015 1 599 . 1 1 129 129 ASP C C 13 176.05 . . . . . . . 129 ASP C . 7015 1 600 . 1 1 129 129 ASP CA C 13 54.15 . . . . . . . 129 ASP CA . 7015 1 601 . 1 1 129 129 ASP CB C 13 40.3 . . . . . . . 129 ASP CB . 7015 1 602 . 1 1 129 129 ASP N N 15 118.2 . . . . . . . 129 ASP N . 7015 1 603 . 1 1 130 130 ILE H H 1 8.41 . . . . . . . 130 ILE H . 7015 1 604 . 1 1 130 130 ILE C C 13 177.77 . . . . . . . 130 ILE C . 7015 1 605 . 1 1 130 130 ILE CA C 13 62.9 . . . . . . . 130 ILE CA . 7015 1 606 . 1 1 130 130 ILE CB C 13 38.3 . . . . . . . 130 ILE CB . 7015 1 607 . 1 1 130 130 ILE N N 15 127.8 . . . . . . . 130 ILE N . 7015 1 608 . 1 1 131 131 ASP H H 1 8.25 . . . . . . . 131 ASP H . 7015 1 609 . 1 1 131 131 ASP C C 13 178.29 . . . . . . . 131 ASP C . 7015 1 610 . 1 1 131 131 ASP CA C 13 52.6 . . . . . . . 131 ASP CA . 7015 1 611 . 1 1 131 131 ASP CB C 13 39.9 . . . . . . . 131 ASP CB . 7015 1 612 . 1 1 131 131 ASP N N 15 117.1 . . . . . . . 131 ASP N . 7015 1 613 . 1 1 132 132 GLY H H 1 7.6 . . . . . . . 132 GLY H . 7015 1 614 . 1 1 132 132 GLY C C 13 175.32 . . . . . . . 132 GLY C . 7015 1 615 . 1 1 132 132 GLY CA C 13 47.64 . . . . . . . 132 GLY CA . 7015 1 616 . 1 1 132 132 GLY N N 15 109 . . . . . . . 132 GLY N . 7015 1 617 . 1 1 133 133 ASP H H 1 8.39 . . . . . . . 133 ASP H . 7015 1 618 . 1 1 133 133 ASP C C 13 178.95 . . . . . . . 133 ASP C . 7015 1 619 . 1 1 133 133 ASP CA C 13 53.6 . . . . . . . 133 ASP CA . 7015 1 620 . 1 1 133 133 ASP CB C 13 40.5 . . . . . . . 133 ASP CB . 7015 1 621 . 1 1 133 133 ASP N N 15 121.2 . . . . . . . 133 ASP N . 7015 1 622 . 1 1 134 134 GLY H H 1 10.49 . . . . . . . 134 GLY H . 7015 1 623 . 1 1 134 134 GLY C C 13 172.27 . . . . . . . 134 GLY C . 7015 1 624 . 1 1 134 134 GLY CA C 13 46.1 . . . . . . . 134 GLY CA . 7015 1 625 . 1 1 134 134 GLY N N 15 115.2 . . . . . . . 134 GLY N . 7015 1 626 . 1 1 135 135 HIS H H 1 8.297 . . . . . . . 135 HIS H . 7015 1 627 . 1 1 135 135 HIS C C 13 174.56 . . . . . . . 135 HIS C . 7015 1 628 . 1 1 135 135 HIS CA C 13 54.21 . . . . . . . 135 HIS CA . 7015 1 629 . 1 1 135 135 HIS CB C 13 34.97 . . . . . . . 135 HIS CB . 7015 1 630 . 1 1 135 135 HIS N N 15 116.29 . . . . . . . 135 HIS N . 7015 1 631 . 1 1 136 136 ILE H H 1 9.363 . . . . . . . 136 ILE H . 7015 1 632 . 1 1 136 136 ILE C C 13 176.06 . . . . . . . 136 ILE C . 7015 1 633 . 1 1 136 136 ILE CA C 13 59.63 . . . . . . . 136 ILE CA . 7015 1 634 . 1 1 136 136 ILE CB C 13 39.34 . . . . . . . 136 ILE CB . 7015 1 635 . 1 1 136 136 ILE N N 15 125.17 . . . . . . . 136 ILE N . 7015 1 636 . 1 1 137 137 ASN H H 1 9.493 . . . . . . . 137 ASN H . 7015 1 637 . 1 1 137 137 ASN C C 13 175.34 . . . . . . . 137 ASN C . 7015 1 638 . 1 1 137 137 ASN CA C 13 51.18 . . . . . . . 137 ASN CA . 7015 1 639 . 1 1 137 137 ASN CB C 13 38.03 . . . . . . . 137 ASN CB . 7015 1 640 . 1 1 137 137 ASN N N 15 129.22 . . . . . . . 137 ASN N . 7015 1 641 . 1 1 138 138 TYR H H 1 8.684 . . . . . . . 138 TYR H . 7015 1 642 . 1 1 138 138 TYR CA C 13 63.05 . . . . . . . 138 TYR CA . 7015 1 643 . 1 1 138 138 TYR CB C 13 37.89 . . . . . . . 138 TYR CB . 7015 1 644 . 1 1 138 138 TYR N N 15 119.16 . . . . . . . 138 TYR N . 7015 1 645 . 1 1 139 139 GLU H H 1 8.11 . . . . . . . 139 GLU H . 7015 1 646 . 1 1 139 139 GLU C C 13 180.47 . . . . . . . 139 GLU C . 7015 1 647 . 1 1 139 139 GLU CA C 13 60.2 . . . . . . . 139 GLU CA . 7015 1 648 . 1 1 139 139 GLU CB C 13 29.15 . . . . . . . 139 GLU CB . 7015 1 649 . 1 1 139 139 GLU N N 15 118.39 . . . . . . . 139 GLU N . 7015 1 650 . 1 1 140 140 GLU H H 1 8.801 . . . . . . . 140 GLU H . 7015 1 651 . 1 1 140 140 GLU C C 13 179.22 . . . . . . . 140 GLU C . 7015 1 652 . 1 1 140 140 GLU CA C 13 58.26 . . . . . . . 140 GLU CA . 7015 1 653 . 1 1 140 140 GLU CB C 13 30.04 . . . . . . . 140 GLU CB . 7015 1 654 . 1 1 140 140 GLU N N 15 119.5 . . . . . . . 140 GLU N . 7015 1 655 . 1 1 141 141 PHE H H 1 9.076 . . . . . . . 141 PHE H . 7015 1 656 . 1 1 141 141 PHE CA C 13 61.45 . . . . . . . 141 PHE CA . 7015 1 657 . 1 1 141 141 PHE CB C 13 39.91 . . . . . . . 141 PHE CB . 7015 1 658 . 1 1 141 141 PHE N N 15 124.76 . . . . . . . 141 PHE N . 7015 1 659 . 1 1 142 142 VAL H H 1 8.438 . . . . . . . 142 VAL H . 7015 1 660 . 1 1 142 142 VAL C C 13 177.95 . . . . . . . 142 VAL C . 7015 1 661 . 1 1 142 142 VAL CA C 13 67.21 . . . . . . . 142 VAL CA . 7015 1 662 . 1 1 142 142 VAL CB C 13 31.66 . . . . . . . 142 VAL CB . 7015 1 663 . 1 1 142 142 VAL N N 15 119.5 . . . . . . . 142 VAL N . 7015 1 664 . 1 1 143 143 ARG H H 1 7.243 . . . . . . . 143 ARG H . 7015 1 665 . 1 1 143 143 ARG CA C 13 58.92 . . . . . . . 143 ARG CA . 7015 1 666 . 1 1 143 143 ARG CB C 13 29.73 . . . . . . . 143 ARG CB . 7015 1 667 . 1 1 143 143 ARG N N 15 116.53 . . . . . . . 143 ARG N . 7015 1 668 . 1 1 144 144 MET H H 1 7.83 . . . . . . . 144 MET H . 7015 1 669 . 1 1 144 144 MET CA C 13 57.98 . . . . . . . 144 MET CA . 7015 1 670 . 1 1 144 144 MET CB C 13 33.45 . . . . . . . 144 MET CB . 7015 1 671 . 1 1 144 144 MET N N 15 118.45 . . . . . . . 144 MET N . 7015 1 672 . 1 1 145 145 MET H H 1 7.88 . . . . . . . 145 MET H . 7015 1 673 . 1 1 145 145 MET C C 13 178.26 . . . . . . . 145 MET C . 7015 1 674 . 1 1 145 145 MET CA C 13 55.62 . . . . . . . 145 MET CA . 7015 1 675 . 1 1 145 145 MET CB C 13 31.83 . . . . . . . 145 MET CB . 7015 1 676 . 1 1 145 145 MET N N 15 116.56 . . . . . . . 145 MET N . 7015 1 677 . 1 1 146 146 VAL H H 1 7.97 . . . . . . . 146 VAL H . 7015 1 678 . 1 1 146 146 VAL C C 13 176.49 . . . . . . . 146 VAL C . 7015 1 679 . 1 1 146 146 VAL CA C 13 63.04 . . . . . . . 146 VAL CA . 7015 1 680 . 1 1 146 146 VAL CB C 13 32.13 . . . . . . . 146 VAL CB . 7015 1 681 . 1 1 146 146 VAL N N 15 116.7 . . . . . . . 146 VAL N . 7015 1 682 . 1 1 147 147 SER H H 1 7.77 . . . . . . . 147 SER H . 7015 1 683 . 1 1 147 147 SER C C 13 173.54 . . . . . . . 147 SER C . 7015 1 684 . 1 1 147 147 SER CA C 13 58.77 . . . . . . . 147 SER CA . 7015 1 685 . 1 1 147 147 SER CB C 13 63.7 . . . . . . . 147 SER CB . 7015 1 686 . 1 1 147 147 SER N N 15 117.2 . . . . . . . 147 SER N . 7015 1 687 . 1 1 148 148 LYS H H 1 7.66 . . . . . . . 148 LYS H . 7015 1 688 . 1 1 148 148 LYS CA C 13 57.83 . . . . . . . 148 LYS CA . 7015 1 689 . 1 1 148 148 LYS CB C 13 33.64 . . . . . . . 148 LYS CB . 7015 1 690 . 1 1 148 148 LYS N N 15 128.1 . . . . . . . 148 LYS N . 7015 1 stop_ save_