data_6524 save_study_list _Study_list.Sf_category study_list _Study_list.Sf_framecode study_list _Study_list.Entry_ID 6524 _Study_list.ID 1 loop_ _Study.ID _Study.Name _Study.Type _Study.Details _Study.Entry_ID _Study.Study_list_ID 1 'Human apolipoprotein E N-terminal domain NMR chemical shift' 'Structure analysis' 'This is the chemical shift assignment of human apoE N-terminal domain (Backbone + Cbeta)' 6524 1 stop_ save_ ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6524 _Entry.Title ; ApoE N-terminal domain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2005-02-24 _Entry.Accession_date 2005-02-24 _Entry.Last_release_date 2005-07-26 _Entry.Original_release_date 2005-07-26 _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 'Chemical shift assignment of the apoE N-terminal domain' _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 Chao Xu . . . 6524 2 Arun Sivashanmugam . . . 6524 3 David Hoyt . . . 6524 4 Jianjun Wang . . . 6524 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6524 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 348 6524 '15N chemical shifts' 175 6524 '1H chemical shifts' 175 6524 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 . . 2005-07-26 2005-02-24 original author . 6524 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID . 5982 'ApoE C-terminal domain chemical shift assignment' 6524 stop_ save_ ############### # Citations # ############### save_citation _Citation.Sf_category citations _Citation.Sf_framecode citation _Citation.Entry_ID 6524 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'A complete backbone assignment of the apolipoprotein E LDL receptor binding domain' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 32 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 177 _Citation.Page_last 177 _Citation.Year 2005 _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 Chao Xu . . . 6524 1 2 Arun Sivashanmugam . . . 6524 1 3 David Hoyt . . . 6524 1 4 Jianjun Wang . . . 6524 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Apolipoprotein E' 6524 1 'Chemical Shift' 6524 1 'LDL Receptor' 6524 1 NMR 6524 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 6524 _Assembly.ID 1 _Assembly.Name 'apoE N-terminal domain' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _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 'all free' _Assembly.Molecular_mass 21323 _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'apoE N-terminal domain' 1 $apoEN . . yes native no no . . . 6524 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_apoEN _Entity.Sf_category entity _Entity.Sf_framecode apoEN _Entity.Entry_ID 6524 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'human apolipoprotein E N-terminal domain' _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 ; KVEQAVETEPEPELRQQTEW QSGQRWELALGRFWDYLRWV QTLSEQVQEELLSSQVTQEL RALMDETMKELKAYKSELEE QLTPVAEETRARLSKELQAA QARLGADMEDVCGRLVQYRG EVQAMLGQSTEELRVRLASH LRKLRKRLLRDADDLQKRLA VYQAGAREGAERGLSAIRER LGP ; _Entity.Polymer_seq_one_letter_code . _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 183 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 21323 _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 15744 . Apolipoprotein_E . . . . . 100.00 308 100.00 100.00 2.55e-121 . . . . 6524 1 2 no PDB 1B68 . "Apolipoprotein E4 (Apoe4), 22k Fragment" . . . . . 100.00 191 99.45 99.45 9.62e-120 . . . . 6524 1 3 no PDB 1BZ4 . "Apolipoprotein E3 (Apo-E3), Truncation Mutant 165" . . . . . 78.69 144 100.00 100.00 4.01e-93 . . . . 6524 1 4 no PDB 1EA8 . "Apolipoprotein E3 22kd Fragment Lys146glu Mutant" . . . . . 100.00 191 99.45 100.00 6.00e-121 . . . . 6524 1 5 no PDB 1GS9 . "Apolipoprotein E4, 22k Domain" . . . . . 90.16 165 99.39 99.39 9.76e-107 . . . . 6524 1 6 no PDB 1H7I . "Apolipoprotein E3 22kd Fragment Lys146gln Mutant" . . . . . 100.00 191 99.45 100.00 4.56e-121 . . . . 6524 1 7 no PDB 1LE2 . "Structural Basis For Altered Function In The Common Mutants Of Human Apolipoprotein-E" . . . . . 78.69 144 99.31 99.31 7.46e-92 . . . . 6524 1 8 no PDB 1LE4 . "Structural Basis For Altered Function In The Common Mutants Of Human Apolipoprotein-E" . . . . . 78.69 144 99.31 99.31 5.26e-91 . . . . 6524 1 9 no PDB 1LPE . "Three-Dimensional Structure Of The Ldl Receptor-Binding Domain Of Human Apolipoprotein E" . . . . . 78.69 144 100.00 100.00 4.98e-93 . . . . 6524 1 10 no PDB 1NFN . "Apolipoprotein E3 (Apoe3)" . . . . . 100.00 191 100.00 100.00 9.77e-122 . . . . 6524 1 11 no PDB 1NFO . "Apolipoprotein E2 (Apoe2, D154a Mutation)" . . . . . 100.00 191 98.91 98.91 3.77e-119 . . . . 6524 1 12 no PDB 1OR2 . "Apolipoprotein E3 (Apoe3) Truncation Mutant 165" . . . . . 90.16 165 97.58 97.58 1.84e-104 . . . . 6524 1 13 no PDB 1OR3 . "Apolipoprotein E3 (Apoe3), Trigonal Truncation Mutant 165" . . . . . 90.16 165 100.00 100.00 7.08e-109 . . . . 6524 1 14 no PDB 2KC3 . "Nmr Solution Structure Of Complete Receptor Binding Domain Of Human Apolipoprotein E" . . . . . 100.00 184 100.00 100.00 6.03e-122 . . . . 6524 1 15 no PDB 2L7B . "Nmr Structure Of Full Length Apoe3" . . . . . 100.00 307 100.00 100.00 4.16e-121 . . . . 6524 1 16 no DBJ BAG37412 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 317 100.00 100.00 3.02e-120 . . . . 6524 1 17 no DBJ BAG72927 . "apolipoprotein E [synthetic construct]" . . . . . 100.00 317 100.00 100.00 3.02e-120 . . . . 6524 1 18 no EMBL CAA25017 . "unnamed protein product [Homo sapiens]" . . . . . 75.41 176 100.00 100.00 3.81e-86 . . . . 6524 1 19 no GB AAB59397 . "apolipoprotein E [Homo sapiens]" . . . . . 100.00 317 99.45 99.45 4.49e-118 . . . . 6524 1 20 no GB AAB59518 . "apolipoprotein E [Homo sapiens]" . . . . . 100.00 317 98.91 98.91 9.77e-119 . . . . 6524 1 21 no GB AAB59546 . "preapolipoprotein E [Homo sapiens]" . . . . . 100.00 317 100.00 100.00 3.02e-120 . . . . 6524 1 22 no GB AAD02505 . "apolipoprotein E [Homo sapiens]" . . . . . 100.00 317 100.00 100.00 3.02e-120 . . . . 6524 1 23 no GB AAG27089 . "apolipoprotein-E [Homo sapiens]" . . . . . 100.00 317 100.00 100.00 3.02e-120 . . . . 6524 1 24 no PRF 1506383A . "apolipoprotein E mutant E3K" . . . . . 100.00 317 99.45 100.00 1.24e-119 . . . . 6524 1 25 no REF NP_000032 . "apolipoprotein E isoform b precursor [Homo sapiens]" . . . . . 100.00 317 100.00 100.00 3.02e-120 . . . . 6524 1 26 no REF NP_001289617 . "apolipoprotein E isoform a precursor [Homo sapiens]" . . . . . 100.00 343 100.00 100.00 2.22e-119 . . . . 6524 1 27 no REF NP_001289618 . "apolipoprotein E isoform b precursor [Homo sapiens]" . . . . . 100.00 317 100.00 100.00 3.02e-120 . . . . 6524 1 28 no REF NP_001289619 . "apolipoprotein E isoform b precursor [Homo sapiens]" . . . . . 100.00 317 100.00 100.00 3.02e-120 . . . . 6524 1 29 no REF NP_001289620 . "apolipoprotein E isoform b precursor [Homo sapiens]" . . . . . 100.00 317 100.00 100.00 3.02e-120 . . . . 6524 1 30 no SP P02649 . "RecName: Full=Apolipoprotein E; Short=Apo-E; Flags: Precursor [Homo sapiens]" . . . . . 100.00 317 100.00 100.00 3.02e-120 . . . . 6524 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'LDL receptor binding, lipoprotein binding, amyloid peptide binding' 6524 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID apoE . 6524 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 . LYS . 6524 1 2 . VAL . 6524 1 3 . GLU . 6524 1 4 . GLN . 6524 1 5 . ALA . 6524 1 6 . VAL . 6524 1 7 . GLU . 6524 1 8 . THR . 6524 1 9 . GLU . 6524 1 10 . PRO . 6524 1 11 . GLU . 6524 1 12 . PRO . 6524 1 13 . GLU . 6524 1 14 . LEU . 6524 1 15 . ARG . 6524 1 16 . GLN . 6524 1 17 . GLN . 6524 1 18 . THR . 6524 1 19 . GLU . 6524 1 20 . TRP . 6524 1 21 . GLN . 6524 1 22 . SER . 6524 1 23 . GLY . 6524 1 24 . GLN . 6524 1 25 . ARG . 6524 1 26 . TRP . 6524 1 27 . GLU . 6524 1 28 . LEU . 6524 1 29 . ALA . 6524 1 30 . LEU . 6524 1 31 . GLY . 6524 1 32 . ARG . 6524 1 33 . PHE . 6524 1 34 . TRP . 6524 1 35 . ASP . 6524 1 36 . TYR . 6524 1 37 . LEU . 6524 1 38 . ARG . 6524 1 39 . TRP . 6524 1 40 . VAL . 6524 1 41 . GLN . 6524 1 42 . THR . 6524 1 43 . LEU . 6524 1 44 . SER . 6524 1 45 . GLU . 6524 1 46 . GLN . 6524 1 47 . VAL . 6524 1 48 . GLN . 6524 1 49 . GLU . 6524 1 50 . GLU . 6524 1 51 . LEU . 6524 1 52 . LEU . 6524 1 53 . SER . 6524 1 54 . SER . 6524 1 55 . GLN . 6524 1 56 . VAL . 6524 1 57 . THR . 6524 1 58 . GLN . 6524 1 59 . GLU . 6524 1 60 . LEU . 6524 1 61 . ARG . 6524 1 62 . ALA . 6524 1 63 . LEU . 6524 1 64 . MET . 6524 1 65 . ASP . 6524 1 66 . GLU . 6524 1 67 . THR . 6524 1 68 . MET . 6524 1 69 . LYS . 6524 1 70 . GLU . 6524 1 71 . LEU . 6524 1 72 . LYS . 6524 1 73 . ALA . 6524 1 74 . TYR . 6524 1 75 . LYS . 6524 1 76 . SER . 6524 1 77 . GLU . 6524 1 78 . LEU . 6524 1 79 . GLU . 6524 1 80 . GLU . 6524 1 81 . GLN . 6524 1 82 . LEU . 6524 1 83 . THR . 6524 1 84 . PRO . 6524 1 85 . VAL . 6524 1 86 . ALA . 6524 1 87 . GLU . 6524 1 88 . GLU . 6524 1 89 . THR . 6524 1 90 . ARG . 6524 1 91 . ALA . 6524 1 92 . ARG . 6524 1 93 . LEU . 6524 1 94 . SER . 6524 1 95 . LYS . 6524 1 96 . GLU . 6524 1 97 . LEU . 6524 1 98 . GLN . 6524 1 99 . ALA . 6524 1 100 . ALA . 6524 1 101 . GLN . 6524 1 102 . ALA . 6524 1 103 . ARG . 6524 1 104 . LEU . 6524 1 105 . GLY . 6524 1 106 . ALA . 6524 1 107 . ASP . 6524 1 108 . MET . 6524 1 109 . GLU . 6524 1 110 . ASP . 6524 1 111 . VAL . 6524 1 112 . CYS . 6524 1 113 . GLY . 6524 1 114 . ARG . 6524 1 115 . LEU . 6524 1 116 . VAL . 6524 1 117 . GLN . 6524 1 118 . TYR . 6524 1 119 . ARG . 6524 1 120 . GLY . 6524 1 121 . GLU . 6524 1 122 . VAL . 6524 1 123 . GLN . 6524 1 124 . ALA . 6524 1 125 . MET . 6524 1 126 . LEU . 6524 1 127 . GLY . 6524 1 128 . GLN . 6524 1 129 . SER . 6524 1 130 . THR . 6524 1 131 . GLU . 6524 1 132 . GLU . 6524 1 133 . LEU . 6524 1 134 . ARG . 6524 1 135 . VAL . 6524 1 136 . ARG . 6524 1 137 . LEU . 6524 1 138 . ALA . 6524 1 139 . SER . 6524 1 140 . HIS . 6524 1 141 . LEU . 6524 1 142 . ARG . 6524 1 143 . LYS . 6524 1 144 . LEU . 6524 1 145 . ARG . 6524 1 146 . LYS . 6524 1 147 . ARG . 6524 1 148 . LEU . 6524 1 149 . LEU . 6524 1 150 . ARG . 6524 1 151 . ASP . 6524 1 152 . ALA . 6524 1 153 . ASP . 6524 1 154 . ASP . 6524 1 155 . LEU . 6524 1 156 . GLN . 6524 1 157 . LYS . 6524 1 158 . ARG . 6524 1 159 . LEU . 6524 1 160 . ALA . 6524 1 161 . VAL . 6524 1 162 . TYR . 6524 1 163 . GLN . 6524 1 164 . ALA . 6524 1 165 . GLY . 6524 1 166 . ALA . 6524 1 167 . ARG . 6524 1 168 . GLU . 6524 1 169 . GLY . 6524 1 170 . ALA . 6524 1 171 . GLU . 6524 1 172 . ARG . 6524 1 173 . GLY . 6524 1 174 . LEU . 6524 1 175 . SER . 6524 1 176 . ALA . 6524 1 177 . ILE . 6524 1 178 . ARG . 6524 1 179 . GLU . 6524 1 180 . ARG . 6524 1 181 . LEU . 6524 1 182 . GLY . 6524 1 183 . PRO . 6524 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 . LYS 1 1 6524 1 . VAL 2 2 6524 1 . GLU 3 3 6524 1 . GLN 4 4 6524 1 . ALA 5 5 6524 1 . VAL 6 6 6524 1 . GLU 7 7 6524 1 . THR 8 8 6524 1 . GLU 9 9 6524 1 . PRO 10 10 6524 1 . GLU 11 11 6524 1 . PRO 12 12 6524 1 . GLU 13 13 6524 1 . LEU 14 14 6524 1 . ARG 15 15 6524 1 . GLN 16 16 6524 1 . GLN 17 17 6524 1 . THR 18 18 6524 1 . GLU 19 19 6524 1 . TRP 20 20 6524 1 . GLN 21 21 6524 1 . SER 22 22 6524 1 . GLY 23 23 6524 1 . GLN 24 24 6524 1 . ARG 25 25 6524 1 . TRP 26 26 6524 1 . GLU 27 27 6524 1 . LEU 28 28 6524 1 . ALA 29 29 6524 1 . LEU 30 30 6524 1 . GLY 31 31 6524 1 . ARG 32 32 6524 1 . PHE 33 33 6524 1 . TRP 34 34 6524 1 . ASP 35 35 6524 1 . TYR 36 36 6524 1 . LEU 37 37 6524 1 . ARG 38 38 6524 1 . TRP 39 39 6524 1 . VAL 40 40 6524 1 . GLN 41 41 6524 1 . THR 42 42 6524 1 . LEU 43 43 6524 1 . SER 44 44 6524 1 . GLU 45 45 6524 1 . GLN 46 46 6524 1 . VAL 47 47 6524 1 . GLN 48 48 6524 1 . GLU 49 49 6524 1 . GLU 50 50 6524 1 . LEU 51 51 6524 1 . LEU 52 52 6524 1 . SER 53 53 6524 1 . SER 54 54 6524 1 . GLN 55 55 6524 1 . VAL 56 56 6524 1 . THR 57 57 6524 1 . GLN 58 58 6524 1 . GLU 59 59 6524 1 . LEU 60 60 6524 1 . ARG 61 61 6524 1 . ALA 62 62 6524 1 . LEU 63 63 6524 1 . MET 64 64 6524 1 . ASP 65 65 6524 1 . GLU 66 66 6524 1 . THR 67 67 6524 1 . MET 68 68 6524 1 . LYS 69 69 6524 1 . GLU 70 70 6524 1 . LEU 71 71 6524 1 . LYS 72 72 6524 1 . ALA 73 73 6524 1 . TYR 74 74 6524 1 . LYS 75 75 6524 1 . SER 76 76 6524 1 . GLU 77 77 6524 1 . LEU 78 78 6524 1 . GLU 79 79 6524 1 . GLU 80 80 6524 1 . GLN 81 81 6524 1 . LEU 82 82 6524 1 . THR 83 83 6524 1 . PRO 84 84 6524 1 . VAL 85 85 6524 1 . ALA 86 86 6524 1 . GLU 87 87 6524 1 . GLU 88 88 6524 1 . THR 89 89 6524 1 . ARG 90 90 6524 1 . ALA 91 91 6524 1 . ARG 92 92 6524 1 . LEU 93 93 6524 1 . SER 94 94 6524 1 . LYS 95 95 6524 1 . GLU 96 96 6524 1 . LEU 97 97 6524 1 . GLN 98 98 6524 1 . ALA 99 99 6524 1 . ALA 100 100 6524 1 . GLN 101 101 6524 1 . ALA 102 102 6524 1 . ARG 103 103 6524 1 . LEU 104 104 6524 1 . GLY 105 105 6524 1 . ALA 106 106 6524 1 . ASP 107 107 6524 1 . MET 108 108 6524 1 . GLU 109 109 6524 1 . ASP 110 110 6524 1 . VAL 111 111 6524 1 . CYS 112 112 6524 1 . GLY 113 113 6524 1 . ARG 114 114 6524 1 . LEU 115 115 6524 1 . VAL 116 116 6524 1 . GLN 117 117 6524 1 . TYR 118 118 6524 1 . ARG 119 119 6524 1 . GLY 120 120 6524 1 . GLU 121 121 6524 1 . VAL 122 122 6524 1 . GLN 123 123 6524 1 . ALA 124 124 6524 1 . MET 125 125 6524 1 . LEU 126 126 6524 1 . GLY 127 127 6524 1 . GLN 128 128 6524 1 . SER 129 129 6524 1 . THR 130 130 6524 1 . GLU 131 131 6524 1 . GLU 132 132 6524 1 . LEU 133 133 6524 1 . ARG 134 134 6524 1 . VAL 135 135 6524 1 . ARG 136 136 6524 1 . LEU 137 137 6524 1 . ALA 138 138 6524 1 . SER 139 139 6524 1 . HIS 140 140 6524 1 . LEU 141 141 6524 1 . ARG 142 142 6524 1 . LYS 143 143 6524 1 . LEU 144 144 6524 1 . ARG 145 145 6524 1 . LYS 146 146 6524 1 . ARG 147 147 6524 1 . LEU 148 148 6524 1 . LEU 149 149 6524 1 . ARG 150 150 6524 1 . ASP 151 151 6524 1 . ALA 152 152 6524 1 . ASP 153 153 6524 1 . ASP 154 154 6524 1 . LEU 155 155 6524 1 . GLN 156 156 6524 1 . LYS 157 157 6524 1 . ARG 158 158 6524 1 . LEU 159 159 6524 1 . ALA 160 160 6524 1 . VAL 161 161 6524 1 . TYR 162 162 6524 1 . GLN 163 163 6524 1 . ALA 164 164 6524 1 . GLY 165 165 6524 1 . ALA 166 166 6524 1 . ARG 167 167 6524 1 . GLU 168 168 6524 1 . GLY 169 169 6524 1 . ALA 170 170 6524 1 . GLU 171 171 6524 1 . ARG 172 172 6524 1 . GLY 173 173 6524 1 . LEU 174 174 6524 1 . SER 175 175 6524 1 . ALA 176 176 6524 1 . ILE 177 177 6524 1 . ARG 178 178 6524 1 . GLU 179 179 6524 1 . ARG 180 180 6524 1 . LEU 181 181 6524 1 . GLY 182 182 6524 1 . PRO 183 183 6524 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 6524 _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 $apoEN . 9606 . no . human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 6524 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 6524 _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 $apoEN . 'recombinant technology' . Bacteria 'Bacteria BL-21(DE3)' . . . . . . . . . . . . . . . . . . . . . . . . . . 6524 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6524 _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 'apoE N-terminal domain' '[U-13C; U-15N; U-70% 2H]' 1 $assembly 1 $apoEN . protein 1 . . mM . . . . 6524 1 2 'Sodium Phosphate' . 1 $assembly . . . buffer 100 . . mM . . . . 6524 1 3 NaN3 . 1 $assembly . . . 'antimicrobial agent' 1 . . mM . . . . 6524 1 4 DSS . 1 $assembly . . . 'internal reference' 0.05 . . mM . . . . 6524 1 5 EDTA . 1 $assembly . . . 'chelating agent' 10 . . mM . . . . 6524 1 6 d-DTT . 1 $assembly . . . 'reducing agent' 90 . . mM . . . . 6524 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 6524 _Sample.ID 2 _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 'apoE N-terminal domain' '[U-13C; U-15N; U-35% 2H]' 1 $assembly 1 $apoEN . protein 1 . . mM . . . . 6524 2 2 'Sodium Phosphate' . 1 $assembly . . . buffer 100 . . mM . . . . 6524 2 3 NaN3 . 1 $assembly . . . 'antimicrobial agent' 1 . . mM . . . . 6524 2 4 DSS . 1 $assembly . . . 'internal reference' 0.06 . . mM . . . . 6524 2 5 EDTA . 1 $assembly . . . 'chelating agent' 10 . . mM . . . . 6524 2 6 d-DTT . 1 $assembly . . . 'reducing agent' 80 . . mM . . . . 6524 2 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 6524 _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 6.8 . pH 6524 1 temperature 303 0.1 K 6524 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 6524 _Software.ID 1 _Software.Name NMRPipe _Software.Version . _Software.Details . save_ save_PIPP _Software.Sf_category software _Software.Sf_framecode PIPP _Software.Entry_ID 6524 _Software.ID 2 _Software.Name PIPP _Software.Version . _Software.Details . save_ save_NMRVIEW _Software.Sf_category software _Software.Sf_framecode NMRVIEW _Software.Entry_ID 6524 _Software.ID 3 _Software.Name NMRView _Software.Version . _Software.Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_500_MHz _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 500_MHz _NMR_spectrometer.Entry_ID 6524 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'Varian INOVA 500 MHz' _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength '500 MHz' save_ save_800_MHz _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 800_MHz _NMR_spectrometer.Entry_ID 6524 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ ############################# # NMR applied experiments # ############################# save_NMR_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode NMR_experiment_list _Experiment_list.Entry_ID 6524 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 HN(CO)CA no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $conditions_1 . . . 1 $500_MHz . . . . . . . . . . . . . . . . 6524 1 2 HNCA no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $conditions_1 . . . 1 $500_MHz . . . . . . . . . . . . . . . . 6524 1 3 HN(COCA)CB no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $conditions_1 . . . 1 $500_MHz . . . . . . . . . . . . . . . . 6524 1 4 HNCACB no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $conditions_1 . . . 1 $500_MHz . . . . . . . . . . . . . . . . 6524 1 5 '3D 15N-edited NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $conditions_1 . . . 2 $800_MHz . . . . . . . . . . . . . . . . 6524 1 stop_ save_ save_HN(CO)CA _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode HN(CO)CA _NMR_spec_expt.Entry_ID 6524 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name HN(CO)CA _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 1 _NMR_spec_expt.NMR_spectrometer_label $500_MHz _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 1 _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_HNCA _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode HNCA _NMR_spec_expt.Entry_ID 6524 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name HNCA _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 1 _NMR_spec_expt.NMR_spectrometer_label $500_MHz _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 1 _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(COCA)CB _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode HN(COCA)CB _NMR_spec_expt.Entry_ID 6524 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name HN(COCA)CB _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 1 _NMR_spec_expt.NMR_spectrometer_label $500_MHz _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 1 _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 6524 _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 1 _NMR_spec_expt.NMR_spectrometer_label $500_MHz _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 1 _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_3D_15N-edited_NOESY _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 3D_15N-edited_NOESY _NMR_spec_expt.Entry_ID 6524 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name '3D 15N-edited 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 2 _NMR_spec_expt.NMR_spectrometer_label $800_MHz _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 1 _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 6524 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details 'DSS for proton chemical shift reference' loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 6524 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 6524 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 6524 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_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 6524 _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 0.03 _Assigned_chem_shift_list.Chem_shift_13C_err 0.5 _Assigned_chem_shift_list.Chem_shift_15N_err 0.6 _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 HN(CO)CA 1 $sample_1 isotropic 6524 1 2 HNCA 1 $sample_1 isotropic 6524 1 3 HN(COCA)CB 1 $sample_1 isotropic 6524 1 4 HNCACB 1 $sample_1 isotropic 6524 1 5 3D_15N-edited_NOESY 2 $sample_2 isotropic 6524 1 stop_ loop_ _Systematic_chem_shift_offset.Type _Systematic_chem_shift_offset.Atom_type _Systematic_chem_shift_offset.Atom_isotope_number _Systematic_chem_shift_offset.Val _Systematic_chem_shift_offset.Val_err _Systematic_chem_shift_offset.Entry_ID _Systematic_chem_shift_offset.Assigned_chem_shift_list_ID 'TROSY effect' . . . . 6524 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $NMRPipe . . 6524 1 2 $PIPP . . 6524 1 3 $NMRVIEW . . 6524 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 VAL CA C 13 62.030 0.5 . 1 . . . . . VAL CA . 6524 1 2 . 1 1 2 2 VAL CB C 13 32.110 0.5 . 1 . . . . . VAL CB . 6524 1 3 . 1 1 3 3 GLU H H 1 8.574 0.06 . 1 . . . . . GLU HN . 6524 1 4 . 1 1 3 3 GLU CA C 13 55.987 0.5 . 1 . . . . . GLU CA . 6524 1 5 . 1 1 3 3 GLU CB C 13 29.815 0.5 . 1 . . . . . GLU CB . 6524 1 6 . 1 1 3 3 GLU N N 15 125.443 0.6 . 1 . . . . . GLU N . 6524 1 7 . 1 1 4 4 GLN H H 1 8.369 0.06 . 1 . . . . . GLN HN . 6524 1 8 . 1 1 4 4 GLN CA C 13 55.252 0.5 . 1 . . . . . GLN CA . 6524 1 9 . 1 1 4 4 GLN CB C 13 29.253 0.5 . 1 . . . . . GLN CB . 6524 1 10 . 1 1 4 4 GLN N N 15 121.688 0.6 . 1 . . . . . GLN N . 6524 1 11 . 1 1 5 5 ALA H H 1 8.378 0.06 . 1 . . . . . ALA HN . 6524 1 12 . 1 1 5 5 ALA CA C 13 52.110 0.5 . 1 . . . . . ALA CA . 6524 1 13 . 1 1 5 5 ALA CB C 13 18.840 0.5 . 1 . . . . . ALA CB . 6524 1 14 . 1 1 5 5 ALA N N 15 125.936 0.6 . 1 . . . . . ALA N . 6524 1 15 . 1 1 6 6 VAL H H 1 8.099 0.06 . 1 . . . . . VAL HN . 6524 1 16 . 1 1 6 6 VAL CA C 13 61.720 0.5 . 1 . . . . . VAL CA . 6524 1 17 . 1 1 6 6 VAL CB C 13 32.443 0.5 . 1 . . . . . VAL CB . 6524 1 18 . 1 1 6 6 VAL N N 15 119.165 0.6 . 1 . . . . . VAL N . 6524 1 19 . 1 1 7 7 GLU H H 1 8.489 0.06 . 1 . . . . . GLU HN . 6524 1 20 . 1 1 7 7 GLU CA C 13 56.113 0.5 . 1 . . . . . GLU CA . 6524 1 21 . 1 1 7 7 GLU CB C 13 29.867 0.5 . 1 . . . . . GLU CB . 6524 1 22 . 1 1 7 7 GLU N N 15 124.492 0.6 . 1 . . . . . GLU N . 6524 1 23 . 1 1 8 8 THR H H 1 8.130 0.06 . 1 . . . . . THR HN . 6524 1 24 . 1 1 8 8 THR CA C 13 61.287 0.5 . 1 . . . . . THR CA . 6524 1 25 . 1 1 8 8 THR CB C 13 69.600 0.5 . 1 . . . . . THR CB . 6524 1 26 . 1 1 8 8 THR N N 15 115.454 0.6 . 1 . . . . . THR N . 6524 1 27 . 1 1 9 9 GLU H H 1 8.386 0.06 . 1 . . . . . GLU HN . 6524 1 28 . 1 1 9 9 GLU CA C 13 53.940 0.5 . 1 . . . . . GLU CA . 6524 1 29 . 1 1 9 9 GLU CB C 13 29.480 0.5 . 1 . . . . . GLU CB . 6524 1 30 . 1 1 9 9 GLU N N 15 124.651 0.6 . 1 . . . . . GLU N . 6524 1 31 . 1 1 10 10 PRO CA C 13 62.525 0.5 . 1 . . . . . PRO CA . 6524 1 32 . 1 1 10 10 PRO CB C 13 31.640 0.5 . 1 . . . . . PRO CB . 6524 1 33 . 1 1 11 11 GLU H H 1 8.471 0.06 . 1 . . . . . GLU HN . 6524 1 34 . 1 1 11 11 GLU CA C 13 54.140 0.5 . 1 . . . . . GLU CA . 6524 1 35 . 1 1 11 11 GLU CB C 13 29.260 0.5 . 1 . . . . . GLU CB . 6524 1 36 . 1 1 11 11 GLU N N 15 122.193 0.6 . 1 . . . . . GLU N . 6524 1 37 . 1 1 12 12 PRO CA C 13 63.120 0.5 . 1 . . . . . PRO CA . 6524 1 38 . 1 1 12 12 PRO CB C 13 31.540 0.5 . 1 . . . . . PRO CB . 6524 1 39 . 1 1 13 13 GLU H H 1 8.526 0.06 . 1 . . . . . GLU HN . 6524 1 40 . 1 1 13 13 GLU CA C 13 56.343 0.5 . 1 . . . . . GLU CA . 6524 1 41 . 1 1 13 13 GLU CB C 13 29.797 0.5 . 1 . . . . . GLU CB . 6524 1 42 . 1 1 13 13 GLU N N 15 120.182 0.6 . 1 . . . . . GLU N . 6524 1 43 . 1 1 14 14 LEU H H 1 8.065 0.06 . 1 . . . . . LEU HN . 6524 1 44 . 1 1 14 14 LEU CA C 13 54.950 0.5 . 1 . . . . . LEU CA . 6524 1 45 . 1 1 14 14 LEU CB C 13 41.410 0.5 . 1 . . . . . LEU CB . 6524 1 46 . 1 1 14 14 LEU N N 15 122.787 0.6 . 1 . . . . . LEU N . 6524 1 47 . 1 1 15 15 ARG H H 1 8.207 0.06 . 1 . . . . . ARG HN . 6524 1 48 . 1 1 15 15 ARG CA C 13 56.015 0.5 . 1 . . . . . ARG CA . 6524 1 49 . 1 1 15 15 ARG CB C 13 30.040 0.5 . 1 . . . . . ARG CB . 6524 1 50 . 1 1 15 15 ARG N N 15 121.656 0.6 . 1 . . . . . ARG N . 6524 1 51 . 1 1 16 16 GLN H H 1 8.348 0.06 . 1 . . . . . GLN HN . 6524 1 52 . 1 1 16 16 GLN CA C 13 56.630 0.5 . 1 . . . . . GLN CA . 6524 1 53 . 1 1 16 16 GLN CB C 13 30.065 0.5 . 1 . . . . . GLN CB . 6524 1 54 . 1 1 16 16 GLN N N 15 122.232 0.6 . 1 . . . . . GLN N . 6524 1 55 . 1 1 17 17 GLN H H 1 8.285 0.06 . 1 . . . . . GLN HN . 6524 1 56 . 1 1 17 17 GLN CA C 13 55.820 0.5 . 1 . . . . . GLN CA . 6524 1 57 . 1 1 17 17 GLN CB C 13 28.720 0.5 . 1 . . . . . GLN CB . 6524 1 58 . 1 1 17 17 GLN N N 15 120.828 0.6 . 1 . . . . . GLN N . 6524 1 59 . 1 1 18 18 THR H H 1 8.046 0.06 . 1 . . . . . THR HN . 6524 1 60 . 1 1 18 18 THR CA C 13 61.967 0.5 . 1 . . . . . THR CA . 6524 1 61 . 1 1 18 18 THR CB C 13 69.180 0.5 . 1 . . . . . THR CB . 6524 1 62 . 1 1 18 18 THR N N 15 114.434 0.6 . 1 . . . . . THR N . 6524 1 63 . 1 1 19 19 GLU H H 1 8.338 0.06 . 1 . . . . . GLU HN . 6524 1 64 . 1 1 19 19 GLU CA C 13 56.595 0.5 . 1 . . . . . GLU CA . 6524 1 65 . 1 1 19 19 GLU CB C 13 29.220 0.5 . 1 . . . . . GLU CB . 6524 1 66 . 1 1 19 19 GLU N N 15 122.238 0.6 . 1 . . . . . GLU N . 6524 1 67 . 1 1 20 20 TRP H H 1 7.939 0.06 . 1 . . . . . TRP HN . 6524 1 68 . 1 1 20 20 TRP CA C 13 56.840 0.5 . 1 . . . . . TRP CA . 6524 1 69 . 1 1 20 20 TRP CB C 13 29.075 0.5 . 1 . . . . . TRP CB . 6524 1 70 . 1 1 20 20 TRP N N 15 120.917 0.6 . 1 . . . . . TRP N . 6524 1 71 . 1 1 21 21 GLN H H 1 7.990 0.06 . 1 . . . . . GLN HN . 6524 1 72 . 1 1 21 21 GLN CA C 13 55.830 0.5 . 1 . . . . . GLN CA . 6524 1 73 . 1 1 21 21 GLN CB C 13 28.715 0.5 . 1 . . . . . GLN CB . 6524 1 74 . 1 1 21 21 GLN N N 15 120.168 0.6 . 1 . . . . . GLN N . 6524 1 75 . 1 1 22 22 SER H H 1 8.419 0.06 . 1 . . . . . SER HN . 6524 1 76 . 1 1 22 22 SER CA C 13 58.187 0.5 . 1 . . . . . SER CA . 6524 1 77 . 1 1 22 22 SER CB C 13 63.760 0.5 . 1 . . . . . SER CB . 6524 1 78 . 1 1 22 22 SER N N 15 116.453 0.6 . 1 . . . . . SER N . 6524 1 79 . 1 1 23 23 GLY H H 1 8.115 0.06 . 1 . . . . . GLY HN . 6524 1 80 . 1 1 23 23 GLY CA C 13 44.793 0.5 . 1 . . . . . GLY CA . 6524 1 81 . 1 1 23 23 GLY N N 15 110.201 0.6 . 1 . . . . . GLY N . 6524 1 82 . 1 1 24 24 GLN H H 1 8.101 0.06 . 1 . . . . . GLN HN . 6524 1 83 . 1 1 24 24 GLN CA C 13 54.620 0.5 . 1 . . . . . GLN CA . 6524 1 84 . 1 1 24 24 GLN CB C 13 28.435 0.5 . 1 . . . . . GLN CB . 6524 1 85 . 1 1 24 24 GLN N N 15 118.091 0.6 . 1 . . . . . GLN N . 6524 1 86 . 1 1 25 25 ARG H H 1 8.539 0.06 . 1 . . . . . ARG HN . 6524 1 87 . 1 1 25 25 ARG CA C 13 60.255 0.5 . 1 . . . . . ARG CA . 6524 1 88 . 1 1 25 25 ARG CB C 13 29.505 0.5 . 1 . . . . . ARG CB . 6524 1 89 . 1 1 25 25 ARG N N 15 121.173 0.6 . 1 . . . . . ARG N . 6524 1 90 . 1 1 26 26 TRP H H 1 9.293 0.06 . 1 . . . . . TRP HN . 6524 1 91 . 1 1 26 26 TRP CA C 13 59.435 0.5 . 1 . . . . . TRP CA . 6524 1 92 . 1 1 26 26 TRP CB C 13 26.385 0.5 . 1 . . . . . TRP CB . 6524 1 93 . 1 1 26 26 TRP N N 15 119.230 0.6 . 1 . . . . . TRP N . 6524 1 94 . 1 1 27 27 GLU H H 1 6.025 0.06 . 1 . . . . . GLU HN . 6524 1 95 . 1 1 27 27 GLU CA C 13 58.120 0.5 . 1 . . . . . GLU CA . 6524 1 96 . 1 1 27 27 GLU CB C 13 28.215 0.5 . 1 . . . . . GLU CB . 6524 1 97 . 1 1 27 27 GLU N N 15 122.215 0.6 . 1 . . . . . GLU N . 6524 1 98 . 1 1 28 28 LEU H H 1 7.611 0.06 . 1 . . . . . LEU HN . 6524 1 99 . 1 1 28 28 LEU CA C 13 57.015 0.5 . 1 . . . . . LEU CA . 6524 1 100 . 1 1 28 28 LEU CB C 13 40.575 0.5 . 1 . . . . . LEU CB . 6524 1 101 . 1 1 28 28 LEU N N 15 120.518 0.6 . 1 . . . . . LEU N . 6524 1 102 . 1 1 29 29 ALA H H 1 7.648 0.06 . 1 . . . . . ALA HN . 6524 1 103 . 1 1 29 29 ALA CA C 13 55.320 0.5 . 1 . . . . . ALA CA . 6524 1 104 . 1 1 29 29 ALA CB C 13 17.105 0.5 . 1 . . . . . ALA CB . 6524 1 105 . 1 1 29 29 ALA N N 15 123.179 0.6 . 1 . . . . . ALA N . 6524 1 106 . 1 1 30 30 LEU H H 1 8.325 0.06 . 1 . . . . . LEU HN . 6524 1 107 . 1 1 30 30 LEU CA C 13 57.240 0.5 . 1 . . . . . LEU CA . 6524 1 108 . 1 1 30 30 LEU CB C 13 39.925 0.5 . 1 . . . . . LEU CB . 6524 1 109 . 1 1 30 30 LEU N N 15 121.727 0.6 . 1 . . . . . LEU N . 6524 1 110 . 1 1 31 31 GLY H H 1 8.431 0.06 . 1 . . . . . GLY HN . 6524 1 111 . 1 1 31 31 GLY CA C 13 46.858 0.5 . 1 . . . . . GLY CA . 6524 1 112 . 1 1 31 31 GLY N N 15 106.945 0.6 . 1 . . . . . GLY N . 6524 1 113 . 1 1 32 32 ARG H H 1 7.870 0.06 . 1 . . . . . ARG HN . 6524 1 114 . 1 1 32 32 ARG CA C 13 59.620 0.5 . 1 . . . . . ARG CA . 6524 1 115 . 1 1 32 32 ARG CB C 13 30.105 0.5 . 1 . . . . . ARG CB . 6524 1 116 . 1 1 32 32 ARG N N 15 121.685 0.6 . 1 . . . . . ARG N . 6524 1 117 . 1 1 33 33 PHE H H 1 8.174 0.06 . 1 . . . . . PHE HN . 6524 1 118 . 1 1 33 33 PHE CA C 13 61.975 0.5 . 1 . . . . . PHE CA . 6524 1 119 . 1 1 33 33 PHE CB C 13 38.550 0.5 . 1 . . . . . PHE CB . 6524 1 120 . 1 1 33 33 PHE N N 15 122.766 0.6 . 1 . . . . . PHE N . 6524 1 121 . 1 1 34 34 TRP H H 1 9.536 0.06 . 1 . . . . . TRP HN . 6524 1 122 . 1 1 34 34 TRP CA C 13 60.085 0.5 . 1 . . . . . TRP CA . 6524 1 123 . 1 1 34 34 TRP CB C 13 29.560 0.5 . 1 . . . . . TRP CB . 6524 1 124 . 1 1 34 34 TRP N N 15 119.871 0.6 . 1 . . . . . TRP N . 6524 1 125 . 1 1 35 35 ASP H H 1 9.042 0.06 . 1 . . . . . ASP HN . 6524 1 126 . 1 1 35 35 ASP CA C 13 57.237 0.5 . 1 . . . . . ASP CA . 6524 1 127 . 1 1 35 35 ASP CB C 13 40.160 0.5 . 1 . . . . . ASP CB . 6524 1 128 . 1 1 35 35 ASP N N 15 120.511 0.6 . 1 . . . . . ASP N . 6524 1 129 . 1 1 36 36 TYR H H 1 8.140 0.06 . 1 . . . . . TYR HN . 6524 1 130 . 1 1 36 36 TYR CA C 13 61.325 0.5 . 1 . . . . . TYR CA . 6524 1 131 . 1 1 36 36 TYR CB C 13 38.255 0.5 . 1 . . . . . TYR CB . 6524 1 132 . 1 1 36 36 TYR N N 15 123.896 0.6 . 1 . . . . . TYR N . 6524 1 133 . 1 1 37 37 LEU H H 1 8.366 0.06 . 1 . . . . . LEU HN . 6524 1 134 . 1 1 37 37 LEU CA C 13 54.125 0.5 . 1 . . . . . LEU CA . 6524 1 135 . 1 1 37 37 LEU CB C 13 40.793 0.5 . 1 . . . . . LEU CB . 6524 1 136 . 1 1 37 37 LEU N N 15 119.008 0.6 . 1 . . . . . LEU N . 6524 1 137 . 1 1 38 38 ARG H H 1 8.053 0.06 . 1 . . . . . ARG HN . 6524 1 138 . 1 1 38 38 ARG CA C 13 58.990 0.5 . 1 . . . . . ARG CA . 6524 1 139 . 1 1 38 38 ARG CB C 13 32.400 0.5 . 1 . . . . . ARG CB . 6524 1 140 . 1 1 38 38 ARG N N 15 119.611 0.6 . 1 . . . . . ARG N . 6524 1 141 . 1 1 39 39 TRP H H 1 7.464 0.06 . 1 . . . . . TRP HN . 6524 1 142 . 1 1 39 39 TRP CA C 13 60.815 0.5 . 1 . . . . . TRP CA . 6524 1 143 . 1 1 39 39 TRP CB C 13 30.120 0.5 . 1 . . . . . TRP CB . 6524 1 144 . 1 1 39 39 TRP N N 15 120.798 0.6 . 1 . . . . . TRP N . 6524 1 145 . 1 1 40 40 VAL H H 1 8.383 0.06 . 1 . . . . . VAL HN . 6524 1 146 . 1 1 40 40 VAL CA C 13 65.160 0.5 . 1 . . . . . VAL CA . 6524 1 147 . 1 1 40 40 VAL CB C 13 30.600 0.5 . 1 . . . . . VAL CB . 6524 1 148 . 1 1 40 40 VAL N N 15 121.246 0.6 . 1 . . . . . VAL N . 6524 1 149 . 1 1 41 41 GLN CA C 13 54.660 0.5 . 1 . . . . . GLN CA . 6524 1 150 . 1 1 42 42 THR H H 1 7.524 0.06 . 1 . . . . . THR HN . 6524 1 151 . 1 1 42 42 THR CA C 13 58.830 0.5 . 1 . . . . . THR CA . 6524 1 152 . 1 1 42 42 THR CB C 13 69.745 0.5 . 1 . . . . . THR CB . 6524 1 153 . 1 1 42 42 THR N N 15 115.498 0.6 . 1 . . . . . THR N . 6524 1 154 . 1 1 43 43 LEU H H 1 8.126 0.06 . 1 . . . . . LEU HN . 6524 1 155 . 1 1 43 43 LEU CA C 13 56.385 0.5 . 1 . . . . . LEU CA . 6524 1 156 . 1 1 43 43 LEU CB C 13 41.545 0.5 . 1 . . . . . LEU CB . 6524 1 157 . 1 1 43 43 LEU N N 15 122.795 0.6 . 1 . . . . . LEU N . 6524 1 158 . 1 1 44 44 SER H H 1 8.215 0.06 . 1 . . . . . SER HN . 6524 1 159 . 1 1 44 44 SER CA C 13 58.060 0.5 . 1 . . . . . SER CA . 6524 1 160 . 1 1 44 44 SER CB C 13 63.700 0.5 . 1 . . . . . SER CB . 6524 1 161 . 1 1 44 44 SER N N 15 115.960 0.6 . 1 . . . . . SER N . 6524 1 162 . 1 1 45 45 GLU H H 1 8.239 0.06 . 1 . . . . . GLU HN . 6524 1 163 . 1 1 45 45 GLU CA C 13 55.620 0.5 . 1 . . . . . GLU CA . 6524 1 164 . 1 1 45 45 GLU CB C 13 30.290 0.5 . 1 . . . . . GLU CB . 6524 1 165 . 1 1 45 45 GLU N N 15 124.330 0.6 . 1 . . . . . GLU N . 6524 1 166 . 1 1 46 46 GLN H H 1 8.128 0.06 . 1 . . . . . GLN HN . 6524 1 167 . 1 1 46 46 GLN CA C 13 57.260 0.5 . 1 . . . . . GLN CA . 6524 1 168 . 1 1 46 46 GLN CB C 13 29.525 0.5 . 1 . . . . . GLN CB . 6524 1 169 . 1 1 46 46 GLN N N 15 119.597 0.6 . 1 . . . . . GLN N . 6524 1 170 . 1 1 47 47 VAL H H 1 8.178 0.06 . 1 . . . . . VAL HN . 6524 1 171 . 1 1 47 47 VAL CA C 13 62.130 0.5 . 1 . . . . . VAL CA . 6524 1 172 . 1 1 47 47 VAL CB C 13 32.195 0.5 . 1 . . . . . VAL CB . 6524 1 173 . 1 1 47 47 VAL N N 15 121.218 0.6 . 1 . . . . . VAL N . 6524 1 174 . 1 1 48 48 GLN H H 1 8.380 0.06 . 1 . . . . . GLN HN . 6524 1 175 . 1 1 48 48 GLN CA C 13 56.950 0.5 . 1 . . . . . GLN CA . 6524 1 176 . 1 1 48 48 GLN CB C 13 28.885 0.5 . 1 . . . . . GLN CB . 6524 1 177 . 1 1 48 48 GLN N N 15 121.184 0.6 . 1 . . . . . GLN N . 6524 1 178 . 1 1 49 49 GLU H H 1 8.055 0.06 . 1 . . . . . GLU HN . 6524 1 179 . 1 1 49 49 GLU CA C 13 56.775 0.5 . 1 . . . . . GLU CA . 6524 1 180 . 1 1 49 49 GLU CB C 13 29.245 0.5 . 1 . . . . . GLU CB . 6524 1 181 . 1 1 49 49 GLU N N 15 119.600 0.6 . 1 . . . . . GLU N . 6524 1 182 . 1 1 50 50 GLU H H 1 8.259 0.06 . 1 . . . . . GLU HN . 6524 1 183 . 1 1 50 50 GLU CA C 13 56.325 0.5 . 1 . . . . . GLU CA . 6524 1 184 . 1 1 50 50 GLU CB C 13 29.935 0.5 . 1 . . . . . GLU CB . 6524 1 185 . 1 1 50 50 GLU N N 15 121.235 0.6 . 1 . . . . . GLU N . 6524 1 186 . 1 1 51 51 LEU H H 1 8.329 0.06 . 1 . . . . . LEU HN . 6524 1 187 . 1 1 51 51 LEU CA C 13 56.190 0.5 . 1 . . . . . LEU CA . 6524 1 188 . 1 1 51 51 LEU CB C 13 40.790 0.5 . 1 . . . . . LEU CB . 6524 1 189 . 1 1 51 51 LEU N N 15 121.198 0.6 . 1 . . . . . LEU N . 6524 1 190 . 1 1 52 52 LEU H H 1 7.725 0.06 . 1 . . . . . LEU HN . 6524 1 191 . 1 1 52 52 LEU CA C 13 55.855 0.5 . 1 . . . . . LEU CA . 6524 1 192 . 1 1 52 52 LEU N N 15 118.577 0.6 . 1 . . . . . LEU N . 6524 1 193 . 1 1 53 53 SER H H 1 7.980 0.06 . 1 . . . . . SER HN . 6524 1 194 . 1 1 53 53 SER CA C 13 57.750 0.5 . 1 . . . . . SER CA . 6524 1 195 . 1 1 53 53 SER CB C 13 63.940 0.5 . 1 . . . . . SER CB . 6524 1 196 . 1 1 53 53 SER N N 15 114.908 0.6 . 1 . . . . . SER N . 6524 1 197 . 1 1 54 54 SER H H 1 8.273 0.06 . 1 . . . . . SER HN . 6524 1 198 . 1 1 54 54 SER CA C 13 58.270 0.5 . 1 . . . . . SER CA . 6524 1 199 . 1 1 54 54 SER CB C 13 63.630 0.5 . 1 . . . . . SER CB . 6524 1 200 . 1 1 54 54 SER N N 15 115.930 0.6 . 1 . . . . . SER N . 6524 1 201 . 1 1 55 55 GLN H H 1 8.420 0.06 . 1 . . . . . GLN HN . 6524 1 202 . 1 1 55 55 GLN CA C 13 59.185 0.5 . 1 . . . . . GLN CA . 6524 1 203 . 1 1 55 55 GLN CB C 13 28.170 0.5 . 1 . . . . . GLN CB . 6524 1 204 . 1 1 55 55 GLN N N 15 122.686 0.6 . 1 . . . . . GLN N . 6524 1 205 . 1 1 56 56 VAL H H 1 7.708 0.06 . 1 . . . . . VAL HN . 6524 1 206 . 1 1 56 56 VAL CA C 13 64.925 0.5 . 1 . . . . . VAL CA . 6524 1 207 . 1 1 56 56 VAL CB C 13 31.760 0.5 . 1 . . . . . VAL CB . 6524 1 208 . 1 1 56 56 VAL N N 15 117.092 0.6 . 1 . . . . . VAL N . 6524 1 209 . 1 1 57 57 THR H H 1 7.692 0.06 . 1 . . . . . THR HN . 6524 1 210 . 1 1 57 57 THR CA C 13 65.240 0.5 . 1 . . . . . THR CA . 6524 1 211 . 1 1 57 57 THR CB C 13 67.230 0.5 . 1 . . . . . THR CB . 6524 1 212 . 1 1 57 57 THR N N 15 108.715 0.6 . 1 . . . . . THR N . 6524 1 213 . 1 1 58 58 GLN H H 1 8.028 0.06 . 1 . . . . . GLN HN . 6524 1 214 . 1 1 58 58 GLN CA C 13 59.005 0.5 . 1 . . . . . GLN CA . 6524 1 215 . 1 1 58 58 GLN CB C 13 28.285 0.5 . 1 . . . . . GLN CB . 6524 1 216 . 1 1 58 58 GLN N N 15 122.009 0.6 . 1 . . . . . GLN N . 6524 1 217 . 1 1 59 59 GLU H H 1 8.325 0.06 . 1 . . . . . GLU HN . 6524 1 218 . 1 1 59 59 GLU CA C 13 55.725 0.5 . 1 . . . . . GLU CA . 6524 1 219 . 1 1 59 59 GLU CB C 13 29.845 0.5 . 1 . . . . . GLU CB . 6524 1 220 . 1 1 59 59 GLU N N 15 121.158 0.6 . 1 . . . . . GLU N . 6524 1 221 . 1 1 60 60 LEU H H 1 8.210 0.06 . 1 . . . . . LEU HN . 6524 1 222 . 1 1 60 60 LEU CA C 13 57.805 0.5 . 1 . . . . . LEU CA . 6524 1 223 . 1 1 60 60 LEU CB C 13 41.600 0.5 . 1 . . . . . LEU CB . 6524 1 224 . 1 1 60 60 LEU N N 15 121.628 0.6 . 1 . . . . . LEU N . 6524 1 225 . 1 1 61 61 ARG H H 1 8.227 0.06 . 1 . . . . . ARG HN . 6524 1 226 . 1 1 61 61 ARG CA C 13 59.555 0.5 . 1 . . . . . ARG CA . 6524 1 227 . 1 1 61 61 ARG CB C 13 28.900 0.5 . 1 . . . . . ARG CB . 6524 1 228 . 1 1 61 61 ARG N N 15 118.612 0.6 . 1 . . . . . ARG N . 6524 1 229 . 1 1 62 62 ALA H H 1 7.885 0.06 . 1 . . . . . ALA HN . 6524 1 230 . 1 1 62 62 ALA CA C 13 52.620 0.5 . 1 . . . . . ALA CA . 6524 1 231 . 1 1 62 62 ALA CB C 13 17.410 0.5 . 1 . . . . . ALA CB . 6524 1 232 . 1 1 62 62 ALA N N 15 121.692 0.6 . 1 . . . . . ALA N . 6524 1 233 . 1 1 63 63 LEU H H 1 8.282 0.06 . 1 . . . . . LEU HN . 6524 1 234 . 1 1 63 63 LEU CA C 13 57.340 0.5 . 1 . . . . . LEU CA . 6524 1 235 . 1 1 63 63 LEU CB C 13 42.530 0.5 . 1 . . . . . LEU CB . 6524 1 236 . 1 1 63 63 LEU N N 15 119.479 0.6 . 1 . . . . . LEU N . 6524 1 237 . 1 1 64 64 MET H H 1 8.960 0.06 . 1 . . . . . MET HN . 6524 1 238 . 1 1 64 64 MET CA C 13 58.880 0.5 . 1 . . . . . MET CA . 6524 1 239 . 1 1 64 64 MET CB C 13 32.180 0.5 . 1 . . . . . MET CB . 6524 1 240 . 1 1 64 64 MET N N 15 125.677 0.6 . 1 . . . . . MET N . 6524 1 241 . 1 1 65 65 ASP H H 1 8.872 0.06 . 1 . . . . . ASP HN . 6524 1 242 . 1 1 65 65 ASP CA C 13 57.260 0.5 . 1 . . . . . ASP CA . 6524 1 243 . 1 1 65 65 ASP CB C 13 39.600 0.5 . 1 . . . . . ASP CB . 6524 1 244 . 1 1 65 65 ASP N N 15 121.250 0.6 . 1 . . . . . ASP N . 6524 1 245 . 1 1 66 66 GLU H H 1 8.236 0.06 . 1 . . . . . GLU HN . 6524 1 246 . 1 1 66 66 GLU CA C 13 59.305 0.5 . 1 . . . . . GLU CA . 6524 1 247 . 1 1 66 66 GLU CB C 13 29.435 0.5 . 1 . . . . . GLU CB . 6524 1 248 . 1 1 66 66 GLU N N 15 120.260 0.6 . 1 . . . . . GLU N . 6524 1 249 . 1 1 67 67 THR H H 1 7.872 0.06 . 1 . . . . . THR HN . 6524 1 250 . 1 1 67 67 THR N N 15 116.070 0.6 . 1 . . . . . THR N . 6524 1 251 . 1 1 68 68 MET H H 1 8.279 0.06 . 1 . . . . . MET HN . 6524 1 252 . 1 1 68 68 MET CA C 13 56.483 0.5 . 1 . . . . . MET CA . 6524 1 253 . 1 1 68 68 MET CB C 13 30.255 0.5 . 1 . . . . . MET CB . 6524 1 254 . 1 1 68 68 MET N N 15 117.458 0.6 . 1 . . . . . MET N . 6524 1 255 . 1 1 69 69 LYS H H 1 8.521 0.06 . 1 . . . . . LYS HN . 6524 1 256 . 1 1 69 69 LYS CA C 13 59.580 0.5 . 1 . . . . . LYS CA . 6524 1 257 . 1 1 69 69 LYS CB C 13 31.850 0.5 . 1 . . . . . LYS CB . 6524 1 258 . 1 1 69 69 LYS N N 15 122.177 0.6 . 1 . . . . . LYS N . 6524 1 259 . 1 1 70 70 GLU H H 1 8.443 0.06 . 1 . . . . . GLU HN . 6524 1 260 . 1 1 70 70 GLU CA C 13 57.560 0.5 . 1 . . . . . GLU CA . 6524 1 261 . 1 1 70 70 GLU CB C 13 28.183 0.5 . 1 . . . . . GLU CB . 6524 1 262 . 1 1 70 70 GLU N N 15 118.577 0.6 . 1 . . . . . GLU N . 6524 1 263 . 1 1 71 71 LEU H H 1 8.736 0.06 . 1 . . . . . LEU HN . 6524 1 264 . 1 1 71 71 LEU CA C 13 57.985 0.5 . 1 . . . . . LEU CA . 6524 1 265 . 1 1 71 71 LEU CB C 13 41.035 0.5 . 1 . . . . . LEU CB . 6524 1 266 . 1 1 71 71 LEU N N 15 124.901 0.6 . 1 . . . . . LEU N . 6524 1 267 . 1 1 72 72 LYS H H 1 8.105 0.06 . 1 . . . . . LYS HN . 6524 1 268 . 1 1 72 72 LYS CA C 13 59.475 0.5 . 1 . . . . . LYS CA . 6524 1 269 . 1 1 72 72 LYS CB C 13 31.680 0.5 . 1 . . . . . LYS CB . 6524 1 270 . 1 1 72 72 LYS N N 15 119.109 0.6 . 1 . . . . . LYS N . 6524 1 271 . 1 1 73 73 ALA H H 1 7.842 0.06 . 1 . . . . . ALA HN . 6524 1 272 . 1 1 73 73 ALA CA C 13 54.640 0.5 . 1 . . . . . ALA CA . 6524 1 273 . 1 1 73 73 ALA CB C 13 17.680 0.5 . 1 . . . . . ALA CB . 6524 1 274 . 1 1 73 73 ALA N N 15 121.271 0.6 . 1 . . . . . ALA N . 6524 1 275 . 1 1 74 74 TYR H H 1 8.290 0.06 . 1 . . . . . TYR HN . 6524 1 276 . 1 1 74 74 TYR CA C 13 59.110 0.5 . 1 . . . . . TYR CA . 6524 1 277 . 1 1 74 74 TYR CB C 13 38.455 0.5 . 1 . . . . . TYR CB . 6524 1 278 . 1 1 74 74 TYR N N 15 120.710 0.6 . 1 . . . . . TYR N . 6524 1 279 . 1 1 75 75 LYS H H 1 8.468 0.06 . 1 . . . . . LYS HN . 6524 1 280 . 1 1 75 75 LYS CA C 13 59.790 0.5 . 1 . . . . . LYS CA . 6524 1 281 . 1 1 75 75 LYS CB C 13 31.485 0.5 . 1 . . . . . LYS CB . 6524 1 282 . 1 1 75 75 LYS N N 15 118.252 0.6 . 1 . . . . . LYS N . 6524 1 283 . 1 1 76 76 SER H H 1 7.783 0.06 . 1 . . . . . SER HN . 6524 1 284 . 1 1 76 76 SER CA C 13 61.645 0.5 . 1 . . . . . SER CA . 6524 1 285 . 1 1 76 76 SER CB C 13 62.700 0.5 . 1 . . . . . SER CB . 6524 1 286 . 1 1 76 76 SER N N 15 112.700 0.6 . 1 . . . . . SER N . 6524 1 287 . 1 1 77 77 GLU H H 1 7.830 0.06 . 1 . . . . . GLU HN . 6524 1 288 . 1 1 77 77 GLU CA C 13 58.935 0.5 . 1 . . . . . GLU CA . 6524 1 289 . 1 1 77 77 GLU CB C 13 28.930 0.5 . 1 . . . . . GLU CB . 6524 1 290 . 1 1 77 77 GLU N N 15 122.791 0.6 . 1 . . . . . GLU N . 6524 1 291 . 1 1 78 78 LEU H H 1 8.095 0.06 . 1 . . . . . LEU HN . 6524 1 292 . 1 1 78 78 LEU CA C 13 57.025 0.5 . 1 . . . . . LEU CA . 6524 1 293 . 1 1 78 78 LEU CB C 13 41.145 0.5 . 1 . . . . . LEU CB . 6524 1 294 . 1 1 78 78 LEU N N 15 119.143 0.6 . 1 . . . . . LEU N . 6524 1 295 . 1 1 79 79 GLU H H 1 8.134 0.06 . 1 . . . . . GLU HN . 6524 1 296 . 1 1 79 79 GLU CA C 13 58.563 0.5 . 1 . . . . . GLU CA . 6524 1 297 . 1 1 79 79 GLU CB C 13 28.965 0.5 . 1 . . . . . GLU CB . 6524 1 298 . 1 1 79 79 GLU N N 15 117.525 0.6 . 1 . . . . . GLU N . 6524 1 299 . 1 1 80 80 GLU H H 1 7.618 0.06 . 1 . . . . . GLU HN . 6524 1 300 . 1 1 80 80 GLU CA C 13 57.697 0.5 . 1 . . . . . GLU CA . 6524 1 301 . 1 1 80 80 GLU CB C 13 29.255 0.5 . 1 . . . . . GLU CB . 6524 1 302 . 1 1 80 80 GLU N N 15 117.576 0.6 . 1 . . . . . GLU N . 6524 1 303 . 1 1 81 81 GLN H H 1 7.559 0.06 . 1 . . . . . GLN HN . 6524 1 304 . 1 1 81 81 GLN CA C 13 55.380 0.5 . 1 . . . . . GLN CA . 6524 1 305 . 1 1 81 81 GLN CB C 13 28.840 0.5 . 1 . . . . . GLN CB . 6524 1 306 . 1 1 81 81 GLN N N 15 116.097 0.6 . 1 . . . . . GLN N . 6524 1 307 . 1 1 82 82 LEU H H 1 7.579 0.06 . 1 . . . . . LEU HN . 6524 1 308 . 1 1 82 82 LEU CA C 13 54.733 0.5 . 1 . . . . . LEU CA . 6524 1 309 . 1 1 82 82 LEU CB C 13 41.560 0.5 . 1 . . . . . LEU CB . 6524 1 310 . 1 1 82 82 LEU N N 15 120.314 0.6 . 1 . . . . . LEU N . 6524 1 311 . 1 1 83 83 THR H H 1 7.938 0.06 . 1 . . . . . THR HN . 6524 1 312 . 1 1 83 83 THR CA C 13 61.690 0.5 . 1 . . . . . THR CA . 6524 1 313 . 1 1 83 83 THR CB C 13 68.640 0.5 . 1 . . . . . THR CB . 6524 1 314 . 1 1 83 83 THR N N 15 117.534 0.6 . 1 . . . . . THR N . 6524 1 315 . 1 1 84 84 PRO CA C 13 63.800 0.5 . 1 . . . . . PRO CA . 6524 1 316 . 1 1 84 84 PRO CB C 13 30.970 0.5 . 1 . . . . . PRO CB . 6524 1 317 . 1 1 85 85 VAL H H 1 7.737 0.06 . 1 . . . . . VAL HN . 6524 1 318 . 1 1 85 85 VAL CA C 13 61.083 0.5 . 1 . . . . . VAL CA . 6524 1 319 . 1 1 85 85 VAL CB C 13 33.037 0.5 . 1 . . . . . VAL CB . 6524 1 320 . 1 1 85 85 VAL N N 15 118.606 0.6 . 1 . . . . . VAL N . 6524 1 321 . 1 1 86 86 ALA H H 1 8.305 0.06 . 1 . . . . . ALA HN . 6524 1 322 . 1 1 86 86 ALA CA C 13 52.363 0.5 . 1 . . . . . ALA CA . 6524 1 323 . 1 1 86 86 ALA CB C 13 18.437 0.5 . 1 . . . . . ALA CB . 6524 1 324 . 1 1 86 86 ALA N N 15 125.929 0.6 . 1 . . . . . ALA N . 6524 1 325 . 1 1 87 87 GLU H H 1 8.754 0.06 . 1 . . . . . GLU HN . 6524 1 326 . 1 1 87 87 GLU CA C 13 59.205 0.5 . 1 . . . . . GLU CA . 6524 1 327 . 1 1 87 87 GLU CB C 13 29.055 0.5 . 1 . . . . . GLU CB . 6524 1 328 . 1 1 87 87 GLU N N 15 123.187 0.6 . 1 . . . . . GLU N . 6524 1 329 . 1 1 88 88 GLU H H 1 9.157 0.06 . 1 . . . . . GLU HN . 6524 1 330 . 1 1 88 88 GLU CA C 13 59.147 0.5 . 1 . . . . . GLU CA . 6524 1 331 . 1 1 88 88 GLU CB C 13 28.620 0.5 . 1 . . . . . GLU CB . 6524 1 332 . 1 1 88 88 GLU N N 15 118.120 0.6 . 1 . . . . . GLU N . 6524 1 333 . 1 1 89 89 THR H H 1 7.393 0.06 . 1 . . . . . THR HN . 6524 1 334 . 1 1 89 89 THR CA C 13 65.327 0.5 . 1 . . . . . THR CA . 6524 1 335 . 1 1 89 89 THR CB C 13 68.110 0.5 . 1 . . . . . THR CB . 6524 1 336 . 1 1 89 89 THR N N 15 116.512 0.6 . 1 . . . . . THR N . 6524 1 337 . 1 1 90 90 ARG H H 1 8.193 0.06 . 1 . . . . . ARG HN . 6524 1 338 . 1 1 90 90 ARG CA C 13 59.220 0.5 . 1 . . . . . ARG CA . 6524 1 339 . 1 1 90 90 ARG CB C 13 29.275 0.5 . 1 . . . . . ARG CB . 6524 1 340 . 1 1 90 90 ARG N N 15 121.776 0.6 . 1 . . . . . ARG N . 6524 1 341 . 1 1 91 91 ALA H H 1 8.426 0.06 . 1 . . . . . ALA HN . 6524 1 342 . 1 1 91 91 ALA CA C 13 54.825 0.5 . 1 . . . . . ALA CA . 6524 1 343 . 1 1 91 91 ALA CB C 13 17.695 0.5 . 1 . . . . . ALA CB . 6524 1 344 . 1 1 91 91 ALA N N 15 121.191 0.6 . 1 . . . . . ALA N . 6524 1 345 . 1 1 92 92 ARG H H 1 7.647 0.06 . 1 . . . . . ARG HN . 6524 1 346 . 1 1 92 92 ARG CA C 13 58.965 0.5 . 1 . . . . . ARG CA . 6524 1 347 . 1 1 92 92 ARG CB C 13 29.280 0.5 . 1 . . . . . ARG CB . 6524 1 348 . 1 1 92 92 ARG N N 15 119.377 0.6 . 1 . . . . . ARG N . 6524 1 349 . 1 1 93 93 LEU H H 1 8.327 0.06 . 1 . . . . . LEU HN . 6524 1 350 . 1 1 93 93 LEU CA C 13 57.440 0.5 . 1 . . . . . LEU CA . 6524 1 351 . 1 1 93 93 LEU CB C 13 40.970 0.5 . 1 . . . . . LEU CB . 6524 1 352 . 1 1 93 93 LEU N N 15 118.669 0.6 . 1 . . . . . LEU N . 6524 1 353 . 1 1 94 94 SER H H 1 8.451 0.06 . 1 . . . . . SER HN . 6524 1 354 . 1 1 94 94 SER CA C 13 61.240 0.5 . 1 . . . . . SER CA . 6524 1 355 . 1 1 94 94 SER CB C 13 62.530 0.5 . 1 . . . . . SER CB . 6524 1 356 . 1 1 94 94 SER N N 15 114.163 0.6 . 1 . . . . . SER N . 6524 1 357 . 1 1 95 95 LYS H H 1 7.933 0.06 . 1 . . . . . LYS HN . 6524 1 358 . 1 1 95 95 LYS CA C 13 59.315 0.5 . 1 . . . . . LYS CA . 6524 1 359 . 1 1 95 95 LYS CB C 13 31.685 0.5 . 1 . . . . . LYS CB . 6524 1 360 . 1 1 95 95 LYS N N 15 122.241 0.6 . 1 . . . . . LYS N . 6524 1 361 . 1 1 96 96 GLU H H 1 8.313 0.06 . 1 . . . . . GLU HN . 6524 1 362 . 1 1 96 96 GLU CA C 13 58.665 0.5 . 1 . . . . . GLU CA . 6524 1 363 . 1 1 96 96 GLU CB C 13 29.100 0.5 . 1 . . . . . GLU CB . 6524 1 364 . 1 1 96 96 GLU N N 15 119.255 0.6 . 1 . . . . . GLU N . 6524 1 365 . 1 1 97 97 LEU H H 1 8.244 0.06 . 1 . . . . . LEU HN . 6524 1 366 . 1 1 97 97 LEU CA C 13 57.625 0.5 . 1 . . . . . LEU CA . 6524 1 367 . 1 1 97 97 LEU CB C 13 40.850 0.5 . 1 . . . . . LEU CB . 6524 1 368 . 1 1 97 97 LEU N N 15 121.700 0.6 . 1 . . . . . LEU N . 6524 1 369 . 1 1 98 98 GLN H H 1 8.319 0.06 . 1 . . . . . GLN HN . 6524 1 370 . 1 1 98 98 GLN CA C 13 58.645 0.5 . 1 . . . . . GLN CA . 6524 1 371 . 1 1 98 98 GLN CB C 13 27.597 0.5 . 1 . . . . . GLN CB . 6524 1 372 . 1 1 98 98 GLN N N 15 119.596 0.6 . 1 . . . . . GLN N . 6524 1 373 . 1 1 99 99 ALA H H 1 7.876 0.06 . 1 . . . . . ALA HN . 6524 1 374 . 1 1 99 99 ALA CA C 13 54.565 0.5 . 1 . . . . . ALA CA . 6524 1 375 . 1 1 99 99 ALA CB C 13 17.475 0.5 . 1 . . . . . ALA CB . 6524 1 376 . 1 1 99 99 ALA N N 15 121.262 0.6 . 1 . . . . . ALA N . 6524 1 377 . 1 1 100 100 ALA H H 1 7.801 0.06 . 1 . . . . . ALA HN . 6524 1 378 . 1 1 100 100 ALA CA C 13 54.475 0.5 . 1 . . . . . ALA CA . 6524 1 379 . 1 1 100 100 ALA CB C 13 17.983 0.5 . 1 . . . . . ALA CB . 6524 1 380 . 1 1 100 100 ALA N N 15 121.238 0.6 . 1 . . . . . ALA N . 6524 1 381 . 1 1 101 101 GLN H H 1 8.582 0.06 . 1 . . . . . GLN HN . 6524 1 382 . 1 1 101 101 GLN CA C 13 59.115 0.5 . 1 . . . . . GLN CA . 6524 1 383 . 1 1 101 101 GLN CB C 13 27.965 0.5 . 1 . . . . . GLN CB . 6524 1 384 . 1 1 101 101 GLN N N 15 120.961 0.6 . 1 . . . . . GLN N . 6524 1 385 . 1 1 102 102 ALA H H 1 8.171 0.06 . 1 . . . . . ALA HN . 6524 1 386 . 1 1 102 102 ALA CA C 13 54.293 0.5 . 1 . . . . . ALA CA . 6524 1 387 . 1 1 102 102 ALA CB C 13 17.340 0.5 . 1 . . . . . ALA CB . 6524 1 388 . 1 1 102 102 ALA N N 15 121.146 0.6 . 1 . . . . . ALA N . 6524 1 389 . 1 1 103 103 ARG H H 1 7.890 0.06 . 1 . . . . . ARG HN . 6524 1 390 . 1 1 103 103 ARG CA C 13 59.087 0.5 . 1 . . . . . ARG CA . 6524 1 391 . 1 1 103 103 ARG CB C 13 29.977 0.5 . 1 . . . . . ARG CB . 6524 1 392 . 1 1 103 103 ARG N N 15 119.377 0.6 . 1 . . . . . ARG N . 6524 1 393 . 1 1 104 104 LEU H H 1 7.318 0.06 . 1 . . . . . LEU HN . 6524 1 394 . 1 1 104 104 LEU CA C 13 57.710 0.5 . 1 . . . . . LEU CA . 6524 1 395 . 1 1 104 104 LEU CB C 13 41.430 0.5 . 1 . . . . . LEU CB . 6524 1 396 . 1 1 104 104 LEU N N 15 118.647 0.6 . 1 . . . . . LEU N . 6524 1 397 . 1 1 105 105 GLY H H 1 8.312 0.06 . 1 . . . . . GLY HN . 6524 1 398 . 1 1 105 105 GLY CA C 13 47.368 0.5 . 1 . . . . . GLY CA . 6524 1 399 . 1 1 105 105 GLY N N 15 104.426 0.6 . 1 . . . . . GLY N . 6524 1 400 . 1 1 106 106 ALA H H 1 8.208 0.06 . 1 . . . . . ALA HN . 6524 1 401 . 1 1 106 106 ALA CA C 13 54.520 0.5 . 1 . . . . . ALA CA . 6524 1 402 . 1 1 106 106 ALA CB C 13 17.600 0.5 . 1 . . . . . ALA CB . 6524 1 403 . 1 1 106 106 ALA N N 15 123.880 0.6 . 1 . . . . . ALA N . 6524 1 404 . 1 1 107 107 ASP H H 1 8.287 0.06 . 1 . . . . . ASP HN . 6524 1 405 . 1 1 107 107 ASP CA C 13 56.455 0.5 . 1 . . . . . ASP CA . 6524 1 406 . 1 1 107 107 ASP CB C 13 38.270 0.5 . 1 . . . . . ASP CB . 6524 1 407 . 1 1 107 107 ASP N N 15 118.570 0.6 . 1 . . . . . ASP N . 6524 1 408 . 1 1 108 108 MET H H 1 8.111 0.06 . 1 . . . . . MET HN . 6524 1 409 . 1 1 108 108 MET CA C 13 60.480 0.5 . 1 . . . . . MET CA . 6524 1 410 . 1 1 108 108 MET CB C 13 33.010 0.5 . 1 . . . . . MET CB . 6524 1 411 . 1 1 108 108 MET N N 15 118.522 0.6 . 1 . . . . . MET N . 6524 1 412 . 1 1 109 109 GLU H H 1 8.626 0.06 . 1 . . . . . GLU HN . 6524 1 413 . 1 1 109 109 GLU CA C 13 59.320 0.5 . 1 . . . . . GLU CA . 6524 1 414 . 1 1 109 109 GLU CB C 13 28.870 0.5 . 1 . . . . . GLU CB . 6524 1 415 . 1 1 109 109 GLU N N 15 121.719 0.6 . 1 . . . . . GLU N . 6524 1 416 . 1 1 110 110 ASP H H 1 8.563 0.06 . 1 . . . . . ASP HN . 6524 1 417 . 1 1 110 110 ASP CA C 13 56.735 0.5 . 1 . . . . . ASP CA . 6524 1 418 . 1 1 110 110 ASP CB C 13 40.105 0.5 . 1 . . . . . ASP CB . 6524 1 419 . 1 1 110 110 ASP N N 15 120.904 0.6 . 1 . . . . . ASP N . 6524 1 420 . 1 1 111 111 VAL H H 1 7.763 0.06 . 1 . . . . . VAL HN . 6524 1 421 . 1 1 111 111 VAL CA C 13 66.785 0.5 . 1 . . . . . VAL CA . 6524 1 422 . 1 1 111 111 VAL CB C 13 31.095 0.5 . 1 . . . . . VAL CB . 6524 1 423 . 1 1 111 111 VAL N N 15 119.098 0.6 . 1 . . . . . VAL N . 6524 1 424 . 1 1 112 112 CYS H H 1 7.795 0.06 . 1 . . . . . CYS HN . 6524 1 425 . 1 1 112 112 CYS CA C 13 64.323 0.5 . 1 . . . . . CYS CA . 6524 1 426 . 1 1 112 112 CYS CB C 13 26.240 0.5 . 1 . . . . . CYS CB . 6524 1 427 . 1 1 112 112 CYS N N 15 116.762 0.6 . 1 . . . . . CYS N . 6524 1 428 . 1 1 113 113 GLY H H 1 9.187 0.06 . 1 . . . . . GLY HN . 6524 1 429 . 1 1 113 113 GLY CA C 13 46.710 0.5 . 1 . . . . . GLY CA . 6524 1 430 . 1 1 113 113 GLY N N 15 106.483 0.6 . 1 . . . . . GLY N . 6524 1 431 . 1 1 114 114 ARG H H 1 8.409 0.06 . 1 . . . . . ARG HN . 6524 1 432 . 1 1 114 114 ARG CA C 13 56.535 0.5 . 1 . . . . . ARG CA . 6524 1 433 . 1 1 114 114 ARG CB C 13 28.185 0.5 . 1 . . . . . ARG CB . 6524 1 434 . 1 1 114 114 ARG N N 15 122.579 0.6 . 1 . . . . . ARG N . 6524 1 435 . 1 1 115 115 LEU H H 1 7.733 0.06 . 1 . . . . . LEU HN . 6524 1 436 . 1 1 115 115 LEU CA C 13 57.250 0.5 . 1 . . . . . LEU CA . 6524 1 437 . 1 1 115 115 LEU CB C 13 40.400 0.5 . 1 . . . . . LEU CB . 6524 1 438 . 1 1 115 115 LEU N N 15 120.704 0.6 . 1 . . . . . LEU N . 6524 1 439 . 1 1 116 116 VAL H H 1 8.153 0.06 . 1 . . . . . VAL HN . 6524 1 440 . 1 1 116 116 VAL CA C 13 66.730 0.5 . 1 . . . . . VAL CA . 6524 1 441 . 1 1 116 116 VAL CB C 13 31.340 0.5 . 1 . . . . . VAL CB . 6524 1 442 . 1 1 116 116 VAL N N 15 122.820 0.6 . 1 . . . . . VAL N . 6524 1 443 . 1 1 117 117 GLN H H 1 8.306 0.06 . 1 . . . . . GLN HN . 6524 1 444 . 1 1 117 117 GLN CA C 13 58.545 0.5 . 1 . . . . . GLN CA . 6524 1 445 . 1 1 117 117 GLN CB C 13 28.120 0.5 . 1 . . . . . GLN CB . 6524 1 446 . 1 1 117 117 GLN N N 15 121.153 0.6 . 1 . . . . . GLN N . 6524 1 447 . 1 1 118 118 TYR H H 1 8.038 0.06 . 1 . . . . . TYR HN . 6524 1 448 . 1 1 118 118 TYR CA C 13 60.725 0.5 . 1 . . . . . TYR CA . 6524 1 449 . 1 1 118 118 TYR CB C 13 38.155 0.5 . 1 . . . . . TYR CB . 6524 1 450 . 1 1 118 118 TYR N N 15 120.123 0.6 . 1 . . . . . TYR N . 6524 1 451 . 1 1 119 119 ARG H H 1 7.778 0.06 . 1 . . . . . ARG HN . 6524 1 452 . 1 1 119 119 ARG CA C 13 59.527 0.5 . 1 . . . . . ARG CA . 6524 1 453 . 1 1 119 119 ARG CB C 13 29.023 0.5 . 1 . . . . . ARG CB . 6524 1 454 . 1 1 119 119 ARG N N 15 118.106 0.6 . 1 . . . . . ARG N . 6524 1 455 . 1 1 120 120 GLY H H 1 7.748 0.06 . 1 . . . . . GLY HN . 6524 1 456 . 1 1 120 120 GLY CA C 13 46.572 0.5 . 1 . . . . . GLY CA . 6524 1 457 . 1 1 120 120 GLY N N 15 104.451 0.6 . 1 . . . . . GLY N . 6524 1 458 . 1 1 121 121 GLU H H 1 8.200 0.06 . 1 . . . . . GLU HN . 6524 1 459 . 1 1 121 121 GLU CA C 13 59.170 0.5 . 1 . . . . . GLU CA . 6524 1 460 . 1 1 121 121 GLU CB C 13 29.110 0.5 . 1 . . . . . GLU CB . 6524 1 461 . 1 1 121 121 GLU N N 15 123.391 0.6 . 1 . . . . . GLU N . 6524 1 462 . 1 1 122 122 VAL H H 1 8.203 0.06 . 1 . . . . . VAL HN . 6524 1 463 . 1 1 122 122 VAL CA C 13 65.683 0.5 . 1 . . . . . VAL CA . 6524 1 464 . 1 1 122 122 VAL CB C 13 30.745 0.5 . 1 . . . . . VAL CB . 6524 1 465 . 1 1 122 122 VAL N N 15 118.642 0.6 . 1 . . . . . VAL N . 6524 1 466 . 1 1 123 123 GLN H H 1 7.958 0.06 . 1 . . . . . GLN HN . 6524 1 467 . 1 1 123 123 GLN CA C 13 58.415 0.5 . 1 . . . . . GLN CA . 6524 1 468 . 1 1 123 123 GLN CB C 13 27.890 0.5 . 1 . . . . . GLN CB . 6524 1 469 . 1 1 123 123 GLN N N 15 118.984 0.6 . 1 . . . . . GLN N . 6524 1 470 . 1 1 124 124 ALA H H 1 7.611 0.06 . 1 . . . . . ALA HN . 6524 1 471 . 1 1 124 124 ALA CA C 13 53.263 0.5 . 1 . . . . . ALA CA . 6524 1 472 . 1 1 124 124 ALA CB C 13 18.050 0.5 . 1 . . . . . ALA CB . 6524 1 473 . 1 1 124 124 ALA N N 15 120.384 0.6 . 1 . . . . . ALA N . 6524 1 474 . 1 1 125 125 MET H H 1 7.429 0.06 . 1 . . . . . MET HN . 6524 1 475 . 1 1 125 125 MET CA C 13 54.537 0.5 . 1 . . . . . MET CA . 6524 1 476 . 1 1 125 125 MET CB C 13 31.753 0.5 . 1 . . . . . MET CB . 6524 1 477 . 1 1 125 125 MET N N 15 117.041 0.6 . 1 . . . . . MET N . 6524 1 478 . 1 1 126 126 LEU H H 1 7.683 0.06 . 1 . . . . . LEU HN . 6524 1 479 . 1 1 126 126 LEU CA C 13 55.893 0.5 . 1 . . . . . LEU CA . 6524 1 480 . 1 1 126 126 LEU CB C 13 39.697 0.5 . 1 . . . . . LEU CB . 6524 1 481 . 1 1 126 126 LEU N N 15 119.092 0.6 . 1 . . . . . LEU N . 6524 1 482 . 1 1 127 127 GLY H H 1 8.570 0.06 . 1 . . . . . GLY HN . 6524 1 483 . 1 1 127 127 GLY CA C 13 45.070 0.5 . 1 . . . . . GLY CA . 6524 1 484 . 1 1 127 127 GLY N N 15 108.616 0.6 . 1 . . . . . GLY N . 6524 1 485 . 1 1 128 128 GLN H H 1 7.756 0.06 . 1 . . . . . GLN HN . 6524 1 486 . 1 1 128 128 GLN CA C 13 54.243 0.5 . 1 . . . . . GLN CA . 6524 1 487 . 1 1 128 128 GLN CB C 13 29.930 0.5 . 1 . . . . . GLN CB . 6524 1 488 . 1 1 128 128 GLN N N 15 119.134 0.6 . 1 . . . . . GLN N . 6524 1 489 . 1 1 129 129 SER H H 1 8.370 0.06 . 1 . . . . . SER HN . 6524 1 490 . 1 1 129 129 SER CA C 13 57.550 0.5 . 1 . . . . . SER CA . 6524 1 491 . 1 1 129 129 SER CB C 13 63.250 0.5 . 1 . . . . . SER CB . 6524 1 492 . 1 1 129 129 SER N N 15 114.289 0.6 . 1 . . . . . SER N . 6524 1 493 . 1 1 130 130 THR H H 1 8.194 0.06 . 1 . . . . . THR HN . 6524 1 494 . 1 1 130 130 THR CA C 13 60.820 0.5 . 1 . . . . . THR CA . 6524 1 495 . 1 1 130 130 THR CB C 13 69.435 0.5 . 1 . . . . . THR CB . 6524 1 496 . 1 1 130 130 THR N N 15 114.513 0.6 . 1 . . . . . THR N . 6524 1 497 . 1 1 131 131 GLU H H 1 8.428 0.06 . 1 . . . . . GLU HN . 6524 1 498 . 1 1 131 131 GLU CA C 13 59.830 0.5 . 1 . . . . . GLU CA . 6524 1 499 . 1 1 131 131 GLU CB C 13 29.000 0.5 . 1 . . . . . GLU CB . 6524 1 500 . 1 1 131 131 GLU N N 15 123.308 0.6 . 1 . . . . . GLU N . 6524 1 501 . 1 1 132 132 GLU H H 1 8.558 0.06 . 1 . . . . . GLU HN . 6524 1 502 . 1 1 132 132 GLU CA C 13 59.340 0.5 . 1 . . . . . GLU CA . 6524 1 503 . 1 1 132 132 GLU CB C 13 28.520 0.5 . 1 . . . . . GLU CB . 6524 1 504 . 1 1 132 132 GLU N N 15 117.683 0.6 . 1 . . . . . GLU N . 6524 1 505 . 1 1 133 133 LEU H H 1 7.592 0.06 . 1 . . . . . LEU HN . 6524 1 506 . 1 1 133 133 LEU CA C 13 57.435 0.5 . 1 . . . . . LEU CA . 6524 1 507 . 1 1 133 133 LEU CB C 13 41.240 0.5 . 1 . . . . . LEU CB . 6524 1 508 . 1 1 133 133 LEU N N 15 118.641 0.6 . 1 . . . . . LEU N . 6524 1 509 . 1 1 134 134 ARG H H 1 8.123 0.06 . 1 . . . . . ARG HN . 6524 1 510 . 1 1 134 134 ARG CA C 13 60.120 0.5 . 1 . . . . . ARG CA . 6524 1 511 . 1 1 134 134 ARG CB C 13 29.945 0.5 . 1 . . . . . ARG CB . 6524 1 512 . 1 1 134 134 ARG N N 15 120.000 0.6 . 1 . . . . . ARG N . 6524 1 513 . 1 1 135 135 VAL H H 1 8.334 0.06 . 1 . . . . . VAL HN . 6524 1 514 . 1 1 135 135 VAL CA C 13 65.977 0.5 . 1 . . . . . VAL CA . 6524 1 515 . 1 1 135 135 VAL CB C 13 31.360 0.5 . 1 . . . . . VAL CB . 6524 1 516 . 1 1 135 135 VAL N N 15 120.687 0.6 . 1 . . . . . VAL N . 6524 1 517 . 1 1 136 136 ARG H H 1 7.835 0.06 . 1 . . . . . ARG HN . 6524 1 518 . 1 1 136 136 ARG CA C 13 58.960 0.5 . 1 . . . . . ARG CA . 6524 1 519 . 1 1 136 136 ARG CB C 13 29.655 0.5 . 1 . . . . . ARG CB . 6524 1 520 . 1 1 136 136 ARG N N 15 120.331 0.6 . 1 . . . . . ARG N . 6524 1 521 . 1 1 137 137 LEU H H 1 8.062 0.06 . 1 . . . . . LEU HN . 6524 1 522 . 1 1 137 137 LEU CA C 13 57.800 0.5 . 1 . . . . . LEU CA . 6524 1 523 . 1 1 137 137 LEU CB C 13 39.950 0.5 . 1 . . . . . LEU CB . 6524 1 524 . 1 1 137 137 LEU N N 15 120.627 0.6 . 1 . . . . . LEU N . 6524 1 525 . 1 1 138 138 ALA H H 1 8.527 0.06 . 1 . . . . . ALA HN . 6524 1 526 . 1 1 138 138 ALA CA C 13 55.183 0.5 . 1 . . . . . ALA CA . 6524 1 527 . 1 1 138 138 ALA CB C 13 17.630 0.5 . 1 . . . . . ALA CB . 6524 1 528 . 1 1 138 138 ALA N N 15 120.671 0.6 . 1 . . . . . ALA N . 6524 1 529 . 1 1 139 139 SER H H 1 7.864 0.06 . 1 . . . . . SER HN . 6524 1 530 . 1 1 139 139 SER CA C 13 60.980 0.5 . 1 . . . . . SER CA . 6524 1 531 . 1 1 139 139 SER CB C 13 62.500 0.5 . 1 . . . . . SER CB . 6524 1 532 . 1 1 139 139 SER N N 15 112.624 0.6 . 1 . . . . . SER N . 6524 1 533 . 1 1 140 140 HIS H H 1 8.242 0.06 . 1 . . . . . HIS HN . 6524 1 534 . 1 1 140 140 HIS CA C 13 58.750 0.5 . 1 . . . . . HIS CA . 6524 1 535 . 1 1 140 140 HIS CB C 13 31.390 0.5 . 1 . . . . . HIS CB . 6524 1 536 . 1 1 140 140 HIS N N 15 122.260 0.6 . 1 . . . . . HIS N . 6524 1 537 . 1 1 141 141 LEU H H 1 9.141 0.06 . 1 . . . . . LEU HN . 6524 1 538 . 1 1 141 141 LEU CA C 13 57.750 0.5 . 1 . . . . . LEU CA . 6524 1 539 . 1 1 141 141 LEU CB C 13 40.780 0.5 . 1 . . . . . LEU CB . 6524 1 540 . 1 1 141 141 LEU N N 15 117.886 0.6 . 1 . . . . . LEU N . 6524 1 541 . 1 1 142 142 ARG H H 1 7.971 0.06 . 1 . . . . . ARG HN . 6524 1 542 . 1 1 142 142 ARG CA C 13 60.265 0.5 . 1 . . . . . ARG CA . 6524 1 543 . 1 1 142 142 ARG CB C 13 29.530 0.5 . 1 . . . . . ARG CB . 6524 1 544 . 1 1 142 142 ARG N N 15 119.785 0.6 . 1 . . . . . ARG N . 6524 1 545 . 1 1 143 143 LYS H H 1 7.547 0.06 . 1 . . . . . LYS HN . 6524 1 546 . 1 1 143 143 LYS CA C 13 59.325 0.5 . 1 . . . . . LYS CA . 6524 1 547 . 1 1 143 143 LYS CB C 13 31.845 0.5 . 1 . . . . . LYS CB . 6524 1 548 . 1 1 143 143 LYS N N 15 119.120 0.6 . 1 . . . . . LYS N . 6524 1 549 . 1 1 144 144 LEU H H 1 8.473 0.06 . 1 . . . . . LEU HN . 6524 1 550 . 1 1 144 144 LEU CA C 13 57.457 0.5 . 1 . . . . . LEU CA . 6524 1 551 . 1 1 144 144 LEU CB C 13 41.280 0.5 . 1 . . . . . LEU CB . 6524 1 552 . 1 1 144 144 LEU N N 15 120.633 0.6 . 1 . . . . . LEU N . 6524 1 553 . 1 1 145 145 ARG H H 1 8.771 0.06 . 1 . . . . . ARG HN . 6524 1 554 . 1 1 145 145 ARG CA C 13 60.130 0.5 . 1 . . . . . ARG CA . 6524 1 555 . 1 1 145 145 ARG CB C 13 29.420 0.5 . 1 . . . . . ARG CB . 6524 1 556 . 1 1 145 145 ARG N N 15 119.770 0.6 . 1 . . . . . ARG N . 6524 1 557 . 1 1 146 146 LYS H H 1 7.606 0.06 . 1 . . . . . LYS HN . 6524 1 558 . 1 1 146 146 LYS CA C 13 59.605 0.5 . 1 . . . . . LYS CA . 6524 1 559 . 1 1 146 146 LYS CB C 13 31.820 0.5 . 1 . . . . . LYS CB . 6524 1 560 . 1 1 146 146 LYS N N 15 118.087 0.6 . 1 . . . . . LYS N . 6524 1 561 . 1 1 147 147 ARG H H 1 7.660 0.06 . 1 . . . . . ARG HN . 6524 1 562 . 1 1 147 147 ARG CA C 13 59.285 0.5 . 1 . . . . . ARG CA . 6524 1 563 . 1 1 147 147 ARG CB C 13 29.975 0.5 . 1 . . . . . ARG CB . 6524 1 564 . 1 1 147 147 ARG N N 15 120.133 0.6 . 1 . . . . . ARG N . 6524 1 565 . 1 1 148 148 LEU H H 1 8.421 0.06 . 1 . . . . . LEU HN . 6524 1 566 . 1 1 148 148 LEU CA C 13 57.985 0.5 . 1 . . . . . LEU CA . 6524 1 567 . 1 1 148 148 LEU CB C 13 42.215 0.5 . 1 . . . . . LEU CB . 6524 1 568 . 1 1 148 148 LEU N N 15 119.171 0.6 . 1 . . . . . LEU N . 6524 1 569 . 1 1 149 149 LEU H H 1 8.110 0.06 . 1 . . . . . LEU HN . 6524 1 570 . 1 1 149 149 LEU CA C 13 57.995 0.5 . 1 . . . . . LEU CA . 6524 1 571 . 1 1 149 149 LEU CB C 13 40.945 0.5 . 1 . . . . . LEU CB . 6524 1 572 . 1 1 149 149 LEU N N 15 118.517 0.6 . 1 . . . . . LEU N . 6524 1 573 . 1 1 150 150 ARG H H 1 7.636 0.06 . 1 . . . . . ARG HN . 6524 1 574 . 1 1 150 150 ARG CA C 13 58.840 0.5 . 1 . . . . . ARG CA . 6524 1 575 . 1 1 150 150 ARG CB C 13 29.245 0.5 . 1 . . . . . ARG CB . 6524 1 576 . 1 1 150 150 ARG N N 15 119.322 0.6 . 1 . . . . . ARG N . 6524 1 577 . 1 1 151 151 ASP H H 1 8.869 0.06 . 1 . . . . . ASP HN . 6524 1 578 . 1 1 151 151 ASP CA C 13 56.210 0.5 . 1 . . . . . ASP CA . 6524 1 579 . 1 1 151 151 ASP CB C 13 38.115 0.5 . 1 . . . . . ASP CB . 6524 1 580 . 1 1 151 151 ASP N N 15 120.278 0.6 . 1 . . . . . ASP N . 6524 1 581 . 1 1 152 152 ALA H H 1 9.137 0.06 . 1 . . . . . ALA HN . 6524 1 582 . 1 1 152 152 ALA CA C 13 55.495 0.5 . 1 . . . . . ALA CA . 6524 1 583 . 1 1 152 152 ALA CB C 13 18.140 0.5 . 1 . . . . . ALA CB . 6524 1 584 . 1 1 152 152 ALA N N 15 125.906 0.6 . 1 . . . . . ALA N . 6524 1 585 . 1 1 153 153 ASP H H 1 8.162 0.06 . 1 . . . . . ASP HN . 6524 1 586 . 1 1 153 153 ASP CA C 13 57.305 0.5 . 1 . . . . . ASP CA . 6524 1 587 . 1 1 153 153 ASP CB C 13 41.545 0.5 . 1 . . . . . ASP CB . 6524 1 588 . 1 1 153 153 ASP N N 15 119.330 0.6 . 1 . . . . . ASP N . 6524 1 589 . 1 1 154 154 ASP H H 1 8.114 0.06 . 1 . . . . . ASP HN . 6524 1 590 . 1 1 154 154 ASP CA C 13 57.520 0.5 . 1 . . . . . ASP CA . 6524 1 591 . 1 1 154 154 ASP CB C 13 41.540 0.5 . 1 . . . . . ASP CB . 6524 1 592 . 1 1 154 154 ASP N N 15 118.025 0.6 . 1 . . . . . ASP N . 6524 1 593 . 1 1 155 155 LEU H H 1 7.919 0.06 . 1 . . . . . LEU HN . 6524 1 594 . 1 1 155 155 LEU CA C 13 58.125 0.5 . 1 . . . . . LEU CA . 6524 1 595 . 1 1 155 155 LEU CB C 13 41.610 0.5 . 1 . . . . . LEU CB . 6524 1 596 . 1 1 155 155 LEU N N 15 118.599 0.6 . 1 . . . . . LEU N . 6524 1 597 . 1 1 156 156 GLN H H 1 8.761 0.06 . 1 . . . . . GLN HN . 6524 1 598 . 1 1 156 156 GLN CA C 13 59.795 0.5 . 1 . . . . . GLN CA . 6524 1 599 . 1 1 156 156 GLN CB C 13 28.233 0.5 . 1 . . . . . GLN CB . 6524 1 600 . 1 1 156 156 GLN N N 15 118.524 0.6 . 1 . . . . . GLN N . 6524 1 601 . 1 1 157 157 LYS H H 1 8.214 0.06 . 1 . . . . . LYS HN . 6524 1 602 . 1 1 157 157 LYS CA C 13 59.550 0.5 . 1 . . . . . LYS CA . 6524 1 603 . 1 1 157 157 LYS CB C 13 31.875 0.5 . 1 . . . . . LYS CB . 6524 1 604 . 1 1 157 157 LYS N N 15 119.663 0.6 . 1 . . . . . LYS N . 6524 1 605 . 1 1 158 158 ARG H H 1 8.216 0.06 . 1 . . . . . ARG HN . 6524 1 606 . 1 1 158 158 ARG CA C 13 58.415 0.5 . 1 . . . . . ARG CA . 6524 1 607 . 1 1 158 158 ARG CB C 13 29.345 0.5 . 1 . . . . . ARG CB . 6524 1 608 . 1 1 158 158 ARG N N 15 118.622 0.6 . 1 . . . . . ARG N . 6524 1 609 . 1 1 159 159 LEU H H 1 8.720 0.06 . 1 . . . . . LEU HN . 6524 1 610 . 1 1 159 159 LEU CA C 13 57.455 0.5 . 1 . . . . . LEU CA . 6524 1 611 . 1 1 159 159 LEU CB C 13 41.375 0.5 . 1 . . . . . LEU CB . 6524 1 612 . 1 1 159 159 LEU N N 15 120.673 0.6 . 1 . . . . . LEU N . 6524 1 613 . 1 1 160 160 ALA H H 1 7.942 0.06 . 1 . . . . . ALA HN . 6524 1 614 . 1 1 160 160 ALA CA C 13 54.725 0.5 . 1 . . . . . ALA CA . 6524 1 615 . 1 1 160 160 ALA CB C 13 17.810 0.5 . 1 . . . . . ALA CB . 6524 1 616 . 1 1 160 160 ALA N N 15 121.263 0.6 . 1 . . . . . ALA N . 6524 1 617 . 1 1 161 161 VAL H H 1 7.596 0.06 . 1 . . . . . VAL HN . 6524 1 618 . 1 1 161 161 VAL CA C 13 64.820 0.5 . 1 . . . . . VAL CA . 6524 1 619 . 1 1 161 161 VAL CB C 13 31.430 0.5 . 1 . . . . . VAL CB . 6524 1 620 . 1 1 161 161 VAL N N 15 116.950 0.6 . 1 . . . . . VAL N . 6524 1 621 . 1 1 162 162 TYR H H 1 7.686 0.06 . 1 . . . . . TYR HN . 6524 1 622 . 1 1 162 162 TYR CA C 13 60.247 0.5 . 1 . . . . . TYR CA . 6524 1 623 . 1 1 162 162 TYR CB C 13 38.847 0.5 . 1 . . . . . TYR CB . 6524 1 624 . 1 1 162 162 TYR N N 15 120.937 0.6 . 1 . . . . . TYR N . 6524 1 625 . 1 1 163 163 GLN H H 1 8.231 0.06 . 1 . . . . . GLN HN . 6524 1 626 . 1 1 163 163 GLN CA C 13 57.425 0.5 . 1 . . . . . GLN CA . 6524 1 627 . 1 1 163 163 GLN CB C 13 28.685 0.5 . 1 . . . . . GLN CB . 6524 1 628 . 1 1 163 163 GLN N N 15 116.971 0.6 . 1 . . . . . GLN N . 6524 1 629 . 1 1 164 164 ALA H H 1 7.910 0.06 . 1 . . . . . ALA HN . 6524 1 630 . 1 1 164 164 ALA CA C 13 53.357 0.5 . 1 . . . . . ALA CA . 6524 1 631 . 1 1 164 164 ALA CB C 13 18.330 0.5 . 1 . . . . . ALA CB . 6524 1 632 . 1 1 164 164 ALA N N 15 121.375 0.6 . 1 . . . . . ALA N . 6524 1 633 . 1 1 165 165 GLY H H 1 8.064 0.06 . 1 . . . . . GLY HN . 6524 1 634 . 1 1 165 165 GLY CA C 13 45.548 0.5 . 1 . . . . . GLY CA . 6524 1 635 . 1 1 165 165 GLY N N 15 106.534 0.6 . 1 . . . . . GLY N . 6524 1 636 . 1 1 166 166 ALA H H 1 7.899 0.06 . 1 . . . . . ALA HN . 6524 1 637 . 1 1 166 166 ALA CA C 13 52.465 0.5 . 1 . . . . . ALA CA . 6524 1 638 . 1 1 166 166 ALA CB C 13 18.815 0.5 . 1 . . . . . ALA CB . 6524 1 639 . 1 1 166 166 ALA N N 15 122.228 0.6 . 1 . . . . . ALA N . 6524 1 640 . 1 1 167 167 ARG H H 1 8.058 0.06 . 1 . . . . . ARG HN . 6524 1 641 . 1 1 167 167 ARG CA C 13 56.290 0.5 . 1 . . . . . ARG CA . 6524 1 642 . 1 1 167 167 ARG CB C 13 30.240 0.5 . 1 . . . . . ARG CB . 6524 1 643 . 1 1 167 167 ARG N N 15 119.116 0.6 . 1 . . . . . ARG N . 6524 1 644 . 1 1 168 168 GLU CA C 13 56.920 0.5 . 1 . . . . . GLU CA . 6524 1 645 . 1 1 168 168 GLU CB C 13 29.545 0.5 . 1 . . . . . GLU CB . 6524 1 646 . 1 1 169 169 GLY H H 1 8.440 0.06 . 1 . . . . . GLY HN . 6524 1 647 . 1 1 169 169 GLY CA C 13 45.303 0.5 . 1 . . . . . GLY CA . 6524 1 648 . 1 1 169 169 GLY N N 15 109.704 0.6 . 1 . . . . . GLY N . 6524 1 649 . 1 1 170 170 ALA H H 1 8.076 0.06 . 1 . . . . . ALA HN . 6524 1 650 . 1 1 170 170 ALA CA C 13 52.693 0.5 . 1 . . . . . ALA CA . 6524 1 651 . 1 1 170 170 ALA CB C 13 18.857 0.5 . 1 . . . . . ALA CB . 6524 1 652 . 1 1 170 170 ALA N N 15 123.339 0.6 . 1 . . . . . ALA N . 6524 1 653 . 1 1 171 171 GLU H H 1 8.486 0.06 . 1 . . . . . GLU HN . 6524 1 654 . 1 1 171 171 GLU CA C 13 56.760 0.5 . 1 . . . . . GLU CA . 6524 1 655 . 1 1 171 171 GLU CB C 13 29.315 0.5 . 1 . . . . . GLU CB . 6524 1 656 . 1 1 171 171 GLU N N 15 119.127 0.6 . 1 . . . . . GLU N . 6524 1 657 . 1 1 172 172 ARG H H 1 8.205 0.06 . 1 . . . . . ARG HN . 6524 1 658 . 1 1 172 172 ARG CA C 13 56.160 0.5 . 1 . . . . . ARG CA . 6524 1 659 . 1 1 172 172 ARG CB C 13 30.107 0.5 . 1 . . . . . ARG CB . 6524 1 660 . 1 1 172 172 ARG N N 15 121.162 0.6 . 1 . . . . . ARG N . 6524 1 661 . 1 1 173 173 GLY H H 1 8.331 0.06 . 1 . . . . . GLY HN . 6524 1 662 . 1 1 173 173 GLY CA C 13 45.223 0.5 . 1 . . . . . GLY CA . 6524 1 663 . 1 1 173 173 GLY N N 15 109.073 0.6 . 1 . . . . . GLY N . 6524 1 664 . 1 1 174 174 LEU H H 1 8.068 0.06 . 1 . . . . . LEU HN . 6524 1 665 . 1 1 174 174 LEU CA C 13 55.183 0.5 . 1 . . . . . LEU CA . 6524 1 666 . 1 1 174 174 LEU CB C 13 41.643 0.5 . 1 . . . . . LEU CB . 6524 1 667 . 1 1 174 174 LEU N N 15 121.261 0.6 . 1 . . . . . LEU N . 6524 1 668 . 1 1 175 175 SER H H 1 8.274 0.06 . 1 . . . . . SER HN . 6524 1 669 . 1 1 175 175 SER CA C 13 58.413 0.5 . 1 . . . . . SER CA . 6524 1 670 . 1 1 175 175 SER CB C 13 63.330 0.5 . 1 . . . . . SER CB . 6524 1 671 . 1 1 175 175 SER N N 15 115.967 0.6 . 1 . . . . . SER N . 6524 1 672 . 1 1 176 176 ALA H H 1 8.179 0.06 . 1 . . . . . ALA HN . 6524 1 673 . 1 1 176 176 ALA CA C 13 52.407 0.5 . 1 . . . . . ALA CA . 6524 1 674 . 1 1 176 176 ALA CB C 13 18.747 0.5 . 1 . . . . . ALA CB . 6524 1 675 . 1 1 176 176 ALA N N 15 125.416 0.6 . 1 . . . . . ALA N . 6524 1 676 . 1 1 177 177 ILE H H 1 7.931 0.06 . 1 . . . . . ILE HN . 6524 1 677 . 1 1 177 177 ILE CA C 13 61.340 0.5 . 1 . . . . . ILE CA . 6524 1 678 . 1 1 177 177 ILE CB C 13 37.847 0.5 . 1 . . . . . ILE CB . 6524 1 679 . 1 1 177 177 ILE N N 15 119.127 0.6 . 1 . . . . . ILE N . 6524 1 680 . 1 1 178 178 ARG H H 1 8.243 0.06 . 1 . . . . . ARG HN . 6524 1 681 . 1 1 178 178 ARG CA C 13 56.305 0.5 . 1 . . . . . ARG CA . 6524 1 682 . 1 1 178 178 ARG CB C 13 30.035 0.5 . 1 . . . . . ARG CB . 6524 1 683 . 1 1 178 178 ARG N N 15 123.359 0.6 . 1 . . . . . ARG N . 6524 1 684 . 1 1 179 179 GLU H H 1 8.288 0.06 . 1 . . . . . GLU HN . 6524 1 685 . 1 1 179 179 GLU CA C 13 56.625 0.5 . 1 . . . . . GLU CA . 6524 1 686 . 1 1 179 179 GLU CB C 13 29.985 0.5 . 1 . . . . . GLU CB . 6524 1 687 . 1 1 179 179 GLU N N 15 120.712 0.6 . 1 . . . . . GLU N . 6524 1 688 . 1 1 180 180 ARG H H 1 8.150 0.06 . 1 . . . . . ARG HN . 6524 1 689 . 1 1 180 180 ARG CA C 13 56.440 0.5 . 1 . . . . . ARG CA . 6524 1 690 . 1 1 180 180 ARG CB C 13 29.810 0.5 . 1 . . . . . ARG CB . 6524 1 691 . 1 1 180 180 ARG N N 15 120.682 0.6 . 1 . . . . . ARG N . 6524 1 692 . 1 1 181 181 LEU H H 1 8.148 0.06 . 1 . . . . . LEU HN . 6524 1 693 . 1 1 181 181 LEU CA C 13 54.733 0.5 . 1 . . . . . LEU CA . 6524 1 694 . 1 1 181 181 LEU CB C 13 41.463 0.5 . 1 . . . . . LEU CB . 6524 1 695 . 1 1 181 181 LEU N N 15 122.862 0.6 . 1 . . . . . LEU N . 6524 1 696 . 1 1 182 182 GLY H H 1 8.008 0.06 . 1 . . . . . GLY HN . 6524 1 697 . 1 1 182 182 GLY CA C 13 44.110 0.5 . 1 . . . . . GLY CA . 6524 1 698 . 1 1 182 182 GLY N N 15 109.209 0.6 . 1 . . . . . GLY N . 6524 1 stop_ save_