data_18204 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18204 _Entry.Title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for human PEBP1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2012-01-20 _Entry.Accession_date 2012-01-20 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Andreas Karsisiotis . I. Sr. 18204 2 Laurette Tavel . . . 18204 3 Christian Damblon . . Sr. 18204 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'CBM/CNRS Orleans (France)' . 18204 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18204 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 531 18204 '15N chemical shifts' 167 18204 '1H chemical shifts' 167 18204 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2013-02-12 2012-01-20 update BMRB 'update entry citation' 18204 1 . . 2012-03-02 2012-01-20 original author 'original release' 18204 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 16992 'NMR complete assignment of the same protein in different condition: sodium acetate pH4' 18204 PDB 2qyq 'XR 3D structure' 18204 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 18204 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 22558375 _Citation.Full_citation . _Citation.Title 'Ligand binding study of human PEBP1/RKIP: interaction with nucleotides and Raf-1 peptides evidenced by NMR and mass spectrometry.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'PLoS ONE' _Citation.Journal_name_full 'PloS one' _Citation.Journal_volume 7 _Citation.Journal_issue 4 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year 2012 _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 Laurette Tavel . . . 18204 1 2 Lucie Jaquillard . . . 18204 1 3 Andreas Karsisiotis . I. . 18204 1 4 Fabienne Saab . . . 18204 1 5 Laurence Jouvensal . . . 18204 1 6 Alain Brans . . . 18204 1 7 Agnes Delmas . F. . 18204 1 8 Francoise Schoentgen . . . 18204 1 9 Martine Cadene . . . 18204 1 10 Christian Damblon . . . 18204 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18204 _Assembly.ID 1 _Assembly.Name hPEBP1 _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 20924 _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 hPEBP1 1 $hPEBP1 A . yes native no no . . . 18204 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes BMRB 16992 . . 'solution NMR' . 'NMR complete assignment in acetate pH 4' . 18204 1 yes PDB 2qyq . . X-ray . 'Structure of the protein bound to phospho tyrosine' . 18204 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_hPEBP1 _Entity.Sf_category entity _Entity.Sf_framecode hPEBP1 _Entity.Entry_ID 18204 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name hPEBP1 _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 ; MPVDLSKWSGPLSLQEVDEQ PQHPLHVTYAGAAVDELGKV LTPTQVKNRPTSISWDGLDS GKLYTLVLTDPDAPSRKDPK YREWHHFLVVNMKGNDISSG TVLSDYVGSGPPKGTGLHRY VWLVYEQDRPLKCDEPILSN RSGDHRGKFKVASFRKKYEL RAPVAGTCYQAEWDDYVPKL YEQLSGK ; _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 187 _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 20924 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 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 16992 . RKIP . . . . . 100.00 202 100.00 100.00 1.65e-133 . . . . 18204 1 2 no BMRB 17382 . Raf-1_kinase_inhibitor_protein . . . . . 100.00 187 100.00 100.00 1.25e-133 . . . . 18204 1 3 no PDB 1BD9 . "Human Phosphatidylethanolamine Binding Protein" . . . . . 100.00 187 100.00 100.00 1.25e-133 . . . . 18204 1 4 no PDB 1BEH . "Human Phosphatidylethanolamine Binding Protein In Complex With Cacodylate" . . . . . 100.00 187 100.00 100.00 1.25e-133 . . . . 18204 1 5 no PDB 2L7W . "Solution Structure Of The Human Raf-1 Kinase Inhibitor Protein" . . . . . 100.00 187 100.00 100.00 1.25e-133 . . . . 18204 1 6 no PDB 2QYQ . "Human Raf Kinase Inhibitor Protein (Rkip) In Complex With O- Phosphotyrosine" . . . . . 100.00 187 100.00 100.00 1.25e-133 . . . . 18204 1 7 no DBJ BAA03684 . "rat phosphatidylethanolamine binding protein homologue [Homo sapiens]" . . . . . 100.00 187 100.00 100.00 1.25e-133 . . . . 18204 1 8 no DBJ BAE88027 . "unnamed protein product [Macaca fascicularis]" . . . . . 100.00 187 97.33 97.86 1.12e-129 . . . . 18204 1 9 no DBJ BAE88359 . "unnamed protein product [Macaca fascicularis]" . . . . . 75.40 165 98.58 99.29 4.82e-95 . . . . 18204 1 10 no DBJ BAG34868 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 187 100.00 100.00 1.25e-133 . . . . 18204 1 11 no DBJ BAG61396 . "unnamed protein product [Homo sapiens]" . . . . . 71.66 155 100.00 100.00 2.85e-91 . . . . 18204 1 12 no EMBL CAA51652 . "phosphatidylethanolamine-binding protein [Macaca fascicularis]" . . . . . 100.00 187 97.86 98.40 2.55e-130 . . . . 18204 1 13 no EMBL CAA53031 . "phosphatidylethanolamine binding protein [Homo sapiens]" . . . . . 100.00 187 100.00 100.00 1.25e-133 . . . . 18204 1 14 no EMBL CAA59404 . "phosphatidylethanolamine binding protein [Homo sapiens]" . . . . . 100.00 187 100.00 100.00 1.25e-133 . . . . 18204 1 15 no EMBL CAH93256 . "hypothetical protein [Pongo abelii]" . . . . . 100.00 187 98.93 100.00 2.32e-132 . . . . 18204 1 16 no GB AAB32876 . "neuropolypeptide h3 [human, brain, Peptide, 186 aa]" . . . . . 99.47 186 100.00 100.00 1.56e-132 . . . . 18204 1 17 no GB AAD14234 . "neuropolypeptide h3, partial [Homo sapiens]" . . . . . 74.87 140 100.00 100.00 1.89e-97 . . . . 18204 1 18 no GB AAH08714 . "Phosphatidylethanolamine binding protein 1 [Homo sapiens]" . . . . . 100.00 187 100.00 100.00 1.25e-133 . . . . 18204 1 19 no GB AAH17396 . "Phosphatidylethanolamine binding protein 1 [Homo sapiens]" . . . . . 100.00 187 100.00 100.00 1.25e-133 . . . . 18204 1 20 no GB AAH31102 . "Phosphatidylethanolamine binding protein 1 [Homo sapiens]" . . . . . 100.00 187 100.00 100.00 1.25e-133 . . . . 18204 1 21 no PRF 2117380B . "hippocampal cholinergic neurostimulating peptide" . . . . . 100.00 187 100.00 100.00 1.25e-133 . . . . 18204 1 22 no REF NP_001126915 . "phosphatidylethanolamine-binding protein 1 [Pongo abelii]" . . . . . 100.00 187 98.93 100.00 2.32e-132 . . . . 18204 1 23 no REF NP_001233128 . "phosphatidylethanolamine-binding protein 1 [Macaca mulatta]" . . . . . 100.00 187 97.86 98.40 2.55e-130 . . . . 18204 1 24 no REF NP_002558 . "phosphatidylethanolamine-binding protein 1 [Homo sapiens]" . . . . . 100.00 187 100.00 100.00 1.25e-133 . . . . 18204 1 25 no REF XP_002753109 . "PREDICTED: phosphatidylethanolamine-binding protein 1 [Callithrix jacchus]" . . . . . 100.00 187 98.93 99.47 2.29e-132 . . . . 18204 1 26 no REF XP_004054017 . "PREDICTED: phosphatidylethanolamine-binding protein 1 [Gorilla gorilla gorilla]" . . . . . 100.00 187 99.47 99.47 6.18e-133 . . . . 18204 1 27 no SP P30086 . "RecName: Full=Phosphatidylethanolamine-binding protein 1; Short=PEBP-1; AltName: Full=HCNPpp; AltName: Full=Neuropolypeptide h3" . . . . . 100.00 187 100.00 100.00 1.25e-133 . . . . 18204 1 28 no SP P48737 . "RecName: Full=Phosphatidylethanolamine-binding protein 1; Short=PEBP-1; AltName: Full=HCNPpp; Contains: RecName: Full=Hippocamp" . . . . . 100.00 187 97.86 98.40 2.55e-130 . . . . 18204 1 29 no SP Q5R4R0 . "RecName: Full=Phosphatidylethanolamine-binding protein 1; Short=PEBP-1; AltName: Full=HCNPpp; Contains: RecName: Full=Hippocamp" . . . . . 100.00 187 98.93 100.00 2.32e-132 . . . . 18204 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Raf-1 Kinase Inhibitory Protein' 18204 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 18204 1 2 . PRO . 18204 1 3 . VAL . 18204 1 4 . ASP . 18204 1 5 . LEU . 18204 1 6 . SER . 18204 1 7 . LYS . 18204 1 8 . TRP . 18204 1 9 . SER . 18204 1 10 . GLY . 18204 1 11 . PRO . 18204 1 12 . LEU . 18204 1 13 . SER . 18204 1 14 . LEU . 18204 1 15 . GLN . 18204 1 16 . GLU . 18204 1 17 . VAL . 18204 1 18 . ASP . 18204 1 19 . GLU . 18204 1 20 . GLN . 18204 1 21 . PRO . 18204 1 22 . GLN . 18204 1 23 . HIS . 18204 1 24 . PRO . 18204 1 25 . LEU . 18204 1 26 . HIS . 18204 1 27 . VAL . 18204 1 28 . THR . 18204 1 29 . TYR . 18204 1 30 . ALA . 18204 1 31 . GLY . 18204 1 32 . ALA . 18204 1 33 . ALA . 18204 1 34 . VAL . 18204 1 35 . ASP . 18204 1 36 . GLU . 18204 1 37 . LEU . 18204 1 38 . GLY . 18204 1 39 . LYS . 18204 1 40 . VAL . 18204 1 41 . LEU . 18204 1 42 . THR . 18204 1 43 . PRO . 18204 1 44 . THR . 18204 1 45 . GLN . 18204 1 46 . VAL . 18204 1 47 . LYS . 18204 1 48 . ASN . 18204 1 49 . ARG . 18204 1 50 . PRO . 18204 1 51 . THR . 18204 1 52 . SER . 18204 1 53 . ILE . 18204 1 54 . SER . 18204 1 55 . TRP . 18204 1 56 . ASP . 18204 1 57 . GLY . 18204 1 58 . LEU . 18204 1 59 . ASP . 18204 1 60 . SER . 18204 1 61 . GLY . 18204 1 62 . LYS . 18204 1 63 . LEU . 18204 1 64 . TYR . 18204 1 65 . THR . 18204 1 66 . LEU . 18204 1 67 . VAL . 18204 1 68 . LEU . 18204 1 69 . THR . 18204 1 70 . ASP . 18204 1 71 . PRO . 18204 1 72 . ASP . 18204 1 73 . ALA . 18204 1 74 . PRO . 18204 1 75 . SER . 18204 1 76 . ARG . 18204 1 77 . LYS . 18204 1 78 . ASP . 18204 1 79 . PRO . 18204 1 80 . LYS . 18204 1 81 . TYR . 18204 1 82 . ARG . 18204 1 83 . GLU . 18204 1 84 . TRP . 18204 1 85 . HIS . 18204 1 86 . HIS . 18204 1 87 . PHE . 18204 1 88 . LEU . 18204 1 89 . VAL . 18204 1 90 . VAL . 18204 1 91 . ASN . 18204 1 92 . MET . 18204 1 93 . LYS . 18204 1 94 . GLY . 18204 1 95 . ASN . 18204 1 96 . ASP . 18204 1 97 . ILE . 18204 1 98 . SER . 18204 1 99 . SER . 18204 1 100 . GLY . 18204 1 101 . THR . 18204 1 102 . VAL . 18204 1 103 . LEU . 18204 1 104 . SER . 18204 1 105 . ASP . 18204 1 106 . TYR . 18204 1 107 . VAL . 18204 1 108 . GLY . 18204 1 109 . SER . 18204 1 110 . GLY . 18204 1 111 . PRO . 18204 1 112 . PRO . 18204 1 113 . LYS . 18204 1 114 . GLY . 18204 1 115 . THR . 18204 1 116 . GLY . 18204 1 117 . LEU . 18204 1 118 . HIS . 18204 1 119 . ARG . 18204 1 120 . TYR . 18204 1 121 . VAL . 18204 1 122 . TRP . 18204 1 123 . LEU . 18204 1 124 . VAL . 18204 1 125 . TYR . 18204 1 126 . GLU . 18204 1 127 . GLN . 18204 1 128 . ASP . 18204 1 129 . ARG . 18204 1 130 . PRO . 18204 1 131 . LEU . 18204 1 132 . LYS . 18204 1 133 . CYS . 18204 1 134 . ASP . 18204 1 135 . GLU . 18204 1 136 . PRO . 18204 1 137 . ILE . 18204 1 138 . LEU . 18204 1 139 . SER . 18204 1 140 . ASN . 18204 1 141 . ARG . 18204 1 142 . SER . 18204 1 143 . GLY . 18204 1 144 . ASP . 18204 1 145 . HIS . 18204 1 146 . ARG . 18204 1 147 . GLY . 18204 1 148 . LYS . 18204 1 149 . PHE . 18204 1 150 . LYS . 18204 1 151 . VAL . 18204 1 152 . ALA . 18204 1 153 . SER . 18204 1 154 . PHE . 18204 1 155 . ARG . 18204 1 156 . LYS . 18204 1 157 . LYS . 18204 1 158 . TYR . 18204 1 159 . GLU . 18204 1 160 . LEU . 18204 1 161 . ARG . 18204 1 162 . ALA . 18204 1 163 . PRO . 18204 1 164 . VAL . 18204 1 165 . ALA . 18204 1 166 . GLY . 18204 1 167 . THR . 18204 1 168 . CYS . 18204 1 169 . TYR . 18204 1 170 . GLN . 18204 1 171 . ALA . 18204 1 172 . GLU . 18204 1 173 . TRP . 18204 1 174 . ASP . 18204 1 175 . ASP . 18204 1 176 . TYR . 18204 1 177 . VAL . 18204 1 178 . PRO . 18204 1 179 . LYS . 18204 1 180 . LEU . 18204 1 181 . TYR . 18204 1 182 . GLU . 18204 1 183 . GLN . 18204 1 184 . LEU . 18204 1 185 . SER . 18204 1 186 . GLY . 18204 1 187 . LYS . 18204 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 18204 1 . PRO 2 2 18204 1 . VAL 3 3 18204 1 . ASP 4 4 18204 1 . LEU 5 5 18204 1 . SER 6 6 18204 1 . LYS 7 7 18204 1 . TRP 8 8 18204 1 . SER 9 9 18204 1 . GLY 10 10 18204 1 . PRO 11 11 18204 1 . LEU 12 12 18204 1 . SER 13 13 18204 1 . LEU 14 14 18204 1 . GLN 15 15 18204 1 . GLU 16 16 18204 1 . VAL 17 17 18204 1 . ASP 18 18 18204 1 . GLU 19 19 18204 1 . GLN 20 20 18204 1 . PRO 21 21 18204 1 . GLN 22 22 18204 1 . HIS 23 23 18204 1 . PRO 24 24 18204 1 . LEU 25 25 18204 1 . HIS 26 26 18204 1 . VAL 27 27 18204 1 . THR 28 28 18204 1 . TYR 29 29 18204 1 . ALA 30 30 18204 1 . GLY 31 31 18204 1 . ALA 32 32 18204 1 . ALA 33 33 18204 1 . VAL 34 34 18204 1 . ASP 35 35 18204 1 . GLU 36 36 18204 1 . LEU 37 37 18204 1 . GLY 38 38 18204 1 . LYS 39 39 18204 1 . VAL 40 40 18204 1 . LEU 41 41 18204 1 . THR 42 42 18204 1 . PRO 43 43 18204 1 . THR 44 44 18204 1 . GLN 45 45 18204 1 . VAL 46 46 18204 1 . LYS 47 47 18204 1 . ASN 48 48 18204 1 . ARG 49 49 18204 1 . PRO 50 50 18204 1 . THR 51 51 18204 1 . SER 52 52 18204 1 . ILE 53 53 18204 1 . SER 54 54 18204 1 . TRP 55 55 18204 1 . ASP 56 56 18204 1 . GLY 57 57 18204 1 . LEU 58 58 18204 1 . ASP 59 59 18204 1 . SER 60 60 18204 1 . GLY 61 61 18204 1 . LYS 62 62 18204 1 . LEU 63 63 18204 1 . TYR 64 64 18204 1 . THR 65 65 18204 1 . LEU 66 66 18204 1 . VAL 67 67 18204 1 . LEU 68 68 18204 1 . THR 69 69 18204 1 . ASP 70 70 18204 1 . PRO 71 71 18204 1 . ASP 72 72 18204 1 . ALA 73 73 18204 1 . PRO 74 74 18204 1 . SER 75 75 18204 1 . ARG 76 76 18204 1 . LYS 77 77 18204 1 . ASP 78 78 18204 1 . PRO 79 79 18204 1 . LYS 80 80 18204 1 . TYR 81 81 18204 1 . ARG 82 82 18204 1 . GLU 83 83 18204 1 . TRP 84 84 18204 1 . HIS 85 85 18204 1 . HIS 86 86 18204 1 . PHE 87 87 18204 1 . LEU 88 88 18204 1 . VAL 89 89 18204 1 . VAL 90 90 18204 1 . ASN 91 91 18204 1 . MET 92 92 18204 1 . LYS 93 93 18204 1 . GLY 94 94 18204 1 . ASN 95 95 18204 1 . ASP 96 96 18204 1 . ILE 97 97 18204 1 . SER 98 98 18204 1 . SER 99 99 18204 1 . GLY 100 100 18204 1 . THR 101 101 18204 1 . VAL 102 102 18204 1 . LEU 103 103 18204 1 . SER 104 104 18204 1 . ASP 105 105 18204 1 . TYR 106 106 18204 1 . VAL 107 107 18204 1 . GLY 108 108 18204 1 . SER 109 109 18204 1 . GLY 110 110 18204 1 . PRO 111 111 18204 1 . PRO 112 112 18204 1 . LYS 113 113 18204 1 . GLY 114 114 18204 1 . THR 115 115 18204 1 . GLY 116 116 18204 1 . LEU 117 117 18204 1 . HIS 118 118 18204 1 . ARG 119 119 18204 1 . TYR 120 120 18204 1 . VAL 121 121 18204 1 . TRP 122 122 18204 1 . LEU 123 123 18204 1 . VAL 124 124 18204 1 . TYR 125 125 18204 1 . GLU 126 126 18204 1 . GLN 127 127 18204 1 . ASP 128 128 18204 1 . ARG 129 129 18204 1 . PRO 130 130 18204 1 . LEU 131 131 18204 1 . LYS 132 132 18204 1 . CYS 133 133 18204 1 . ASP 134 134 18204 1 . GLU 135 135 18204 1 . PRO 136 136 18204 1 . ILE 137 137 18204 1 . LEU 138 138 18204 1 . SER 139 139 18204 1 . ASN 140 140 18204 1 . ARG 141 141 18204 1 . SER 142 142 18204 1 . GLY 143 143 18204 1 . ASP 144 144 18204 1 . HIS 145 145 18204 1 . ARG 146 146 18204 1 . GLY 147 147 18204 1 . LYS 148 148 18204 1 . PHE 149 149 18204 1 . LYS 150 150 18204 1 . VAL 151 151 18204 1 . ALA 152 152 18204 1 . SER 153 153 18204 1 . PHE 154 154 18204 1 . ARG 155 155 18204 1 . LYS 156 156 18204 1 . LYS 157 157 18204 1 . TYR 158 158 18204 1 . GLU 159 159 18204 1 . LEU 160 160 18204 1 . ARG 161 161 18204 1 . ALA 162 162 18204 1 . PRO 163 163 18204 1 . VAL 164 164 18204 1 . ALA 165 165 18204 1 . GLY 166 166 18204 1 . THR 167 167 18204 1 . CYS 168 168 18204 1 . TYR 169 169 18204 1 . GLN 170 170 18204 1 . ALA 171 171 18204 1 . GLU 172 172 18204 1 . TRP 173 173 18204 1 . ASP 174 174 18204 1 . ASP 175 175 18204 1 . TYR 176 176 18204 1 . VAL 177 177 18204 1 . PRO 178 178 18204 1 . LYS 179 179 18204 1 . LEU 180 180 18204 1 . TYR 181 181 18204 1 . GLU 182 182 18204 1 . GLN 183 183 18204 1 . LEU 184 184 18204 1 . SER 185 185 18204 1 . GLY 186 186 18204 1 . LYS 187 187 18204 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 18204 _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 $hPEBP1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 18204 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 18204 _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 $hPEBP1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21 DE3 . . . . . . . . . . . . . . pET31B . . . . . . 18204 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 18204 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 hPEBP1 '[U-100% 13C; U-100% 15N]' . . 1 $hPEBP1 . . 0.5 . . mM 0.1 . . . 18204 1 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 18204 1 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 18204 1 4 MES 'natural abundance' . . . . . . 10 . . mM . . . . 18204 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 18204 _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 'ionic strength' 0.01 0.0005 M 18204 1 pH 6.5 0.1 pH 18204 1 pressure 1 . atm 18204 1 temperature 298 0.1 K 18204 1 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 18204 _Software.ID 1 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 18204 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 18204 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 18204 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'Cryo-probe TXI' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 18204 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 800 'Cryo-probe TXI' . . 18204 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 18204 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18204 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18204 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18204 1 4 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18204 1 5 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18204 1 6 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18204 1 7 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18204 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 18204 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 18204 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 18204 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 18204 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 18204 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 18204 1 2 '3D CBCA(CO)NH' . . . 18204 1 3 '3D HNCACB' . . . 18204 1 4 '3D HNCA' . . . 18204 1 5 '3D HN(CO)CA' . . . 18204 1 6 '3D HNCO' . . . 18204 1 7 '3D HN(CA)CO' . . . 18204 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 3 3 VAL C C 13 174.068 0.002 . 1 . . . . 3 V C . 18204 1 2 . 1 1 3 3 VAL CA C 13 63.969 0.008 . 1 . . . . 3 V CA . 18204 1 3 . 1 1 3 3 VAL CB C 13 31.727 0.003 . 1 . . . . 3 V CB . 18204 1 4 . 1 1 4 4 ASP H H 1 8.561 0.007 . 1 . . . . 4 D H . 18204 1 5 . 1 1 4 4 ASP C C 13 176.688 0.008 . 1 . . . . 4 D C . 18204 1 6 . 1 1 4 4 ASP CA C 13 52.210 0.021 . 1 . . . . 4 D CA . 18204 1 7 . 1 1 4 4 ASP CB C 13 40.969 0.005 . 1 . . . . 4 D CB . 18204 1 8 . 1 1 4 4 ASP N N 15 128.114 0.006 . 1 . . . . 4 D N . 18204 1 9 . 1 1 5 5 LEU H H 1 9.030 0.007 . 1 . . . . 5 L H . 18204 1 10 . 1 1 5 5 LEU C C 13 178.125 0.007 . 1 . . . . 5 L C . 18204 1 11 . 1 1 5 5 LEU CA C 13 56.547 0.004 . 1 . . . . 5 L CA . 18204 1 12 . 1 1 5 5 LEU CB C 13 41.573 0.059 . 1 . . . . 5 L CB . 18204 1 13 . 1 1 5 5 LEU N N 15 122.936 0.003 . 1 . . . . 5 L N . 18204 1 14 . 1 1 6 6 SER H H 1 8.619 0.007 . 1 . . . . 6 S H . 18204 1 15 . 1 1 6 6 SER C C 13 176.572 0.007 . 1 . . . . 6 S C . 18204 1 16 . 1 1 6 6 SER CA C 13 61.635 0.085 . 1 . . . . 6 S CA . 18204 1 17 . 1 1 6 6 SER CB C 13 62.465 0.122 . 1 . . . . 6 S CB . 18204 1 18 . 1 1 6 6 SER N N 15 115.522 0.011 . 1 . . . . 6 S N . 18204 1 19 . 1 1 7 7 LYS H H 1 7.511 0.006 . 1 . . . . 7 K H . 18204 1 20 . 1 1 7 7 LYS C C 13 177.269 0.012 . 1 . . . . 7 K C . 18204 1 21 . 1 1 7 7 LYS CA C 13 55.238 0.002 . 1 . . . . 7 K CA . 18204 1 22 . 1 1 7 7 LYS CB C 13 31.575 0.019 . 1 . . . . 7 K CB . 18204 1 23 . 1 1 7 7 LYS N N 15 119.772 0.007 . 1 . . . . 7 K N . 18204 1 24 . 1 1 8 8 TRP H H 1 8.340 0.006 . 1 . . . . 8 W H . 18204 1 25 . 1 1 8 8 TRP C C 13 174.408 0.004 . 1 . . . . 8 W C . 18204 1 26 . 1 1 8 8 TRP CA C 13 62.417 0.021 . 1 . . . . 8 W CA . 18204 1 27 . 1 1 8 8 TRP CB C 13 29.661 0.006 . 1 . . . . 8 W CB . 18204 1 28 . 1 1 8 8 TRP N N 15 125.727 0.004 . 1 . . . . 8 W N . 18204 1 29 . 1 1 9 9 SER H H 1 8.003 0.007 . 1 . . . . 9 S H . 18204 1 30 . 1 1 9 9 SER C C 13 176.256 0.010 . 1 . . . . 9 S C . 18204 1 31 . 1 1 9 9 SER CA C 13 56.802 0.026 . 1 . . . . 9 S CA . 18204 1 32 . 1 1 9 9 SER CB C 13 63.273 0.007 . 1 . . . . 9 S CB . 18204 1 33 . 1 1 9 9 SER N N 15 106.001 0.009 . 1 . . . . 9 S N . 18204 1 34 . 1 1 10 10 GLY H H 1 7.298 0.006 . 1 . . . . 10 G H . 18204 1 35 . 1 1 10 10 GLY C C 13 172.910 0.000 . 1 . . . . 10 G C . 18204 1 36 . 1 1 10 10 GLY CA C 13 44.053 0.000 . 1 . . . . 10 G CA . 18204 1 37 . 1 1 10 10 GLY N N 15 109.104 0.003 . 1 . . . . 10 G N . 18204 1 38 . 1 1 11 11 PRO C C 13 178.796 0.004 . 1 . . . . 11 P C . 18204 1 39 . 1 1 11 11 PRO CA C 13 65.251 0.009 . 1 . . . . 11 P CA . 18204 1 40 . 1 1 11 11 PRO CB C 13 32.005 0.011 . 1 . . . . 11 P CB . 18204 1 41 . 1 1 12 12 LEU H H 1 9.245 0.007 . 1 . . . . 12 L H . 18204 1 42 . 1 1 12 12 LEU C C 13 175.946 0.013 . 1 . . . . 12 L C . 18204 1 43 . 1 1 12 12 LEU CA C 13 57.144 0.071 . 1 . . . . 12 L CA . 18204 1 44 . 1 1 12 12 LEU CB C 13 42.376 0.010 . 1 . . . . 12 L CB . 18204 1 45 . 1 1 12 12 LEU N N 15 117.782 0.004 . 1 . . . . 12 L N . 18204 1 46 . 1 1 13 13 SER H H 1 8.596 0.007 . 1 . . . . 13 S H . 18204 1 47 . 1 1 13 13 SER C C 13 175.692 0.004 . 1 . . . . 13 S C . 18204 1 48 . 1 1 13 13 SER CA C 13 57.594 0.048 . 1 . . . . 13 S CA . 18204 1 49 . 1 1 13 13 SER CB C 13 62.649 0.012 . 1 . . . . 13 S CB . 18204 1 50 . 1 1 13 13 SER N N 15 111.523 0.005 . 1 . . . . 13 S N . 18204 1 51 . 1 1 14 14 LEU H H 1 8.169 0.007 . 1 . . . . 14 L H . 18204 1 52 . 1 1 14 14 LEU C C 13 178.682 0.009 . 1 . . . . 14 L C . 18204 1 53 . 1 1 14 14 LEU CA C 13 56.978 0.003 . 1 . . . . 14 L CA . 18204 1 54 . 1 1 14 14 LEU CB C 13 37.315 0.002 . 1 . . . . 14 L CB . 18204 1 55 . 1 1 14 14 LEU N N 15 116.604 0.004 . 1 . . . . 14 L N . 18204 1 56 . 1 1 15 15 GLN H H 1 9.515 0.007 . 1 . . . . 15 Q H . 18204 1 57 . 1 1 15 15 GLN C C 13 177.581 0.009 . 1 . . . . 15 Q C . 18204 1 58 . 1 1 15 15 GLN CA C 13 57.257 0.025 . 1 . . . . 15 Q CA . 18204 1 59 . 1 1 15 15 GLN CB C 13 25.285 0.005 . 1 . . . . 15 Q CB . 18204 1 60 . 1 1 15 15 GLN N N 15 121.970 0.005 . 1 . . . . 15 Q N . 18204 1 61 . 1 1 16 16 GLU H H 1 7.722 0.007 . 1 . . . . 16 E H . 18204 1 62 . 1 1 16 16 GLU C C 13 176.570 0.006 . 1 . . . . 16 E C . 18204 1 63 . 1 1 16 16 GLU CA C 13 58.333 0.012 . 1 . . . . 16 E CA . 18204 1 64 . 1 1 16 16 GLU CB C 13 30.586 0.002 . 1 . . . . 16 E CB . 18204 1 65 . 1 1 16 16 GLU N N 15 120.090 0.009 . 1 . . . . 16 E N . 18204 1 66 . 1 1 17 17 VAL H H 1 8.397 0.007 . 1 . . . . 17 V H . 18204 1 67 . 1 1 17 17 VAL C C 13 175.093 0.013 . 1 . . . . 17 V C . 18204 1 68 . 1 1 17 17 VAL CA C 13 65.072 0.013 . 1 . . . . 17 V CA . 18204 1 69 . 1 1 17 17 VAL CB C 13 32.074 0.021 . 1 . . . . 17 V CB . 18204 1 70 . 1 1 17 17 VAL N N 15 119.901 0.003 . 1 . . . . 17 V N . 18204 1 71 . 1 1 18 18 ASP H H 1 8.131 0.007 . 1 . . . . 18 D H . 18204 1 72 . 1 1 18 18 ASP C C 13 173.787 0.002 . 1 . . . . 18 D C . 18204 1 73 . 1 1 18 18 ASP CA C 13 53.315 0.007 . 1 . . . . 18 D CA . 18204 1 74 . 1 1 18 18 ASP CB C 13 42.955 0.013 . 1 . . . . 18 D CB . 18204 1 75 . 1 1 18 18 ASP N N 15 111.149 0.009 . 1 . . . . 18 D N . 18204 1 76 . 1 1 19 19 GLU H H 1 8.931 0.006 . 1 . . . . 19 E H . 18204 1 77 . 1 1 19 19 GLU C C 13 172.465 0.005 . 1 . . . . 19 E C . 18204 1 78 . 1 1 19 19 GLU CA C 13 55.826 0.012 . 1 . . . . 19 E CA . 18204 1 79 . 1 1 19 19 GLU CB C 13 31.909 0.007 . 1 . . . . 19 E CB . 18204 1 80 . 1 1 19 19 GLU N N 15 118.055 0.005 . 1 . . . . 19 E N . 18204 1 81 . 1 1 20 20 GLN H H 1 7.773 0.007 . 1 . . . . 20 Q H . 18204 1 82 . 1 1 20 20 GLN C C 13 174.186 0.000 . 1 . . . . 20 Q C . 18204 1 83 . 1 1 20 20 GLN CA C 13 53.220 0.000 . 1 . . . . 20 Q CA . 18204 1 84 . 1 1 20 20 GLN CB C 13 30.287 0.000 . 1 . . . . 20 Q CB . 18204 1 85 . 1 1 20 20 GLN N N 15 117.338 0.005 . 1 . . . . 20 Q N . 18204 1 86 . 1 1 21 21 PRO C C 13 176.483 0.000 . 1 . . . . 21 P C . 18204 1 87 . 1 1 21 21 PRO CA C 13 68.622 0.105 . 1 . . . . 21 P CA . 18204 1 88 . 1 1 22 22 GLN H H 1 7.706 0.007 . 1 . . . . 22 Q H . 18204 1 89 . 1 1 22 22 GLN C C 13 178.466 0.010 . 1 . . . . 22 Q C . 18204 1 90 . 1 1 22 22 GLN CA C 13 58.663 0.043 . 1 . . . . 22 Q CA . 18204 1 91 . 1 1 22 22 GLN CB C 13 29.394 0.028 . 1 . . . . 22 Q CB . 18204 1 92 . 1 1 22 22 GLN N N 15 119.327 0.009 . 1 . . . . 22 Q N . 18204 1 93 . 1 1 23 23 HIS H H 1 6.871 0.006 . 1 . . . . 23 H H . 18204 1 94 . 1 1 23 23 HIS C C 13 174.925 0.000 . 1 . . . . 23 H C . 18204 1 95 . 1 1 23 23 HIS CA C 13 59.141 0.000 . 1 . . . . 23 H CA . 18204 1 96 . 1 1 23 23 HIS CB C 13 30.127 0.000 . 1 . . . . 23 H CB . 18204 1 97 . 1 1 23 23 HIS N N 15 108.583 0.006 . 1 . . . . 23 H N . 18204 1 98 . 1 1 24 24 PRO C C 13 175.594 0.002 . 1 . . . . 24 P C . 18204 1 99 . 1 1 24 24 PRO CA C 13 62.660 0.007 . 1 . . . . 24 P CA . 18204 1 100 . 1 1 24 24 PRO CB C 13 32.177 0.004 . 1 . . . . 24 P CB . 18204 1 101 . 1 1 25 25 LEU H H 1 7.578 0.007 . 1 . . . . 25 L H . 18204 1 102 . 1 1 25 25 LEU C C 13 174.629 0.011 . 1 . . . . 25 L C . 18204 1 103 . 1 1 25 25 LEU CA C 13 53.110 0.015 . 1 . . . . 25 L CA . 18204 1 104 . 1 1 25 25 LEU CB C 13 43.745 0.010 . 1 . . . . 25 L CB . 18204 1 105 . 1 1 25 25 LEU N N 15 123.600 0.008 . 1 . . . . 25 L N . 18204 1 106 . 1 1 26 26 HIS H H 1 9.315 0.006 . 1 . . . . 26 H H . 18204 1 107 . 1 1 26 26 HIS C C 13 174.962 0.006 . 1 . . . . 26 H C . 18204 1 108 . 1 1 26 26 HIS CA C 13 56.381 0.024 . 1 . . . . 26 H CA . 18204 1 109 . 1 1 26 26 HIS CB C 13 29.680 0.004 . 1 . . . . 26 H CB . 18204 1 110 . 1 1 26 26 HIS N N 15 127.845 0.006 . 1 . . . . 26 H N . 18204 1 111 . 1 1 27 27 VAL H H 1 7.355 0.008 . 1 . . . . 27 V H . 18204 1 112 . 1 1 27 27 VAL C C 13 173.927 0.008 . 1 . . . . 27 V C . 18204 1 113 . 1 1 27 27 VAL CA C 13 61.683 0.033 . 1 . . . . 27 V CA . 18204 1 114 . 1 1 27 27 VAL CB C 13 34.720 0.002 . 1 . . . . 27 V CB . 18204 1 115 . 1 1 27 27 VAL N N 15 124.696 0.002 . 1 . . . . 27 V N . 18204 1 116 . 1 1 28 28 THR H H 1 8.268 0.006 . 1 . . . . 28 T H . 18204 1 117 . 1 1 28 28 THR C C 13 172.123 0.005 . 1 . . . . 28 T C . 18204 1 118 . 1 1 28 28 THR CA C 13 61.276 0.042 . 1 . . . . 28 T CA . 18204 1 119 . 1 1 28 28 THR CB C 13 70.991 0.012 . 1 . . . . 28 T CB . 18204 1 120 . 1 1 28 28 THR N N 15 121.087 0.009 . 1 . . . . 28 T N . 18204 1 121 . 1 1 29 29 TYR H H 1 9.010 0.007 . 1 . . . . 29 Y H . 18204 1 122 . 1 1 29 29 TYR C C 13 175.097 0.010 . 1 . . . . 29 Y C . 18204 1 123 . 1 1 29 29 TYR CA C 13 56.823 0.014 . 1 . . . . 29 Y CA . 18204 1 124 . 1 1 29 29 TYR CB C 13 40.377 0.022 . 1 . . . . 29 Y CB . 18204 1 125 . 1 1 29 29 TYR N N 15 122.471 0.005 . 1 . . . . 29 Y N . 18204 1 126 . 1 1 30 30 ALA H H 1 8.430 0.007 . 1 . . . . 30 A H . 18204 1 127 . 1 1 30 30 ALA C C 13 178.033 0.004 . 1 . . . . 30 A C . 18204 1 128 . 1 1 30 30 ALA CA C 13 54.727 0.003 . 1 . . . . 30 A CA . 18204 1 129 . 1 1 30 30 ALA CB C 13 17.761 0.011 . 1 . . . . 30 A CB . 18204 1 130 . 1 1 30 30 ALA N N 15 123.703 0.008 . 1 . . . . 30 A N . 18204 1 131 . 1 1 31 31 GLY H H 1 8.666 0.007 . 1 . . . . 31 G H . 18204 1 132 . 1 1 31 31 GLY C C 13 173.955 0.009 . 1 . . . . 31 G C . 18204 1 133 . 1 1 31 31 GLY CA C 13 45.308 0.016 . 1 . . . . 31 G CA . 18204 1 134 . 1 1 31 31 GLY N N 15 106.333 0.005 . 1 . . . . 31 G N . 18204 1 135 . 1 1 32 32 ALA H H 1 7.312 0.006 . 1 . . . . 32 A H . 18204 1 136 . 1 1 32 32 ALA C C 13 174.592 0.005 . 1 . . . . 32 A C . 18204 1 137 . 1 1 32 32 ALA CA C 13 51.793 0.055 . 1 . . . . 32 A CA . 18204 1 138 . 1 1 32 32 ALA CB C 13 22.285 0.071 . 1 . . . . 32 A CB . 18204 1 139 . 1 1 32 32 ALA N N 15 120.410 0.005 . 1 . . . . 32 A N . 18204 1 140 . 1 1 33 33 ALA H H 1 8.746 0.007 . 1 . . . . 33 A H . 18204 1 141 . 1 1 33 33 ALA C C 13 176.676 0.004 . 1 . . . . 33 A C . 18204 1 142 . 1 1 33 33 ALA CA C 13 51.298 0.043 . 1 . . . . 33 A CA . 18204 1 143 . 1 1 33 33 ALA CB C 13 22.134 0.002 . 1 . . . . 33 A CB . 18204 1 144 . 1 1 33 33 ALA N N 15 121.258 0.004 . 1 . . . . 33 A N . 18204 1 145 . 1 1 34 34 VAL H H 1 8.326 0.006 . 1 . . . . 34 V H . 18204 1 146 . 1 1 34 34 VAL C C 13 175.692 0.000 . 1 . . . . 34 V C . 18204 1 147 . 1 1 34 34 VAL CA C 13 62.567 0.000 . 1 . . . . 34 V CA . 18204 1 148 . 1 1 34 34 VAL CB C 13 29.622 0.000 . 1 . . . . 34 V CB . 18204 1 149 . 1 1 34 34 VAL N N 15 119.356 0.006 . 1 . . . . 34 V N . 18204 1 150 . 1 1 35 35 ASP C C 13 173.394 0.006 . 1 . . . . 35 D C . 18204 1 151 . 1 1 35 35 ASP CA C 13 53.220 0.015 . 1 . . . . 35 D CA . 18204 1 152 . 1 1 35 35 ASP CB C 13 39.851 0.011 . 1 . . . . 35 D CB . 18204 1 153 . 1 1 36 36 GLU H H 1 7.252 0.006 . 1 . . . . 36 E H . 18204 1 154 . 1 1 36 36 GLU C C 13 175.688 0.004 . 1 . . . . 36 E C . 18204 1 155 . 1 1 36 36 GLU CA C 13 55.254 0.005 . 1 . . . . 36 E CA . 18204 1 156 . 1 1 36 36 GLU CB C 13 34.005 0.009 . 1 . . . . 36 E CB . 18204 1 157 . 1 1 36 36 GLU N N 15 114.240 0.001 . 1 . . . . 36 E N . 18204 1 158 . 1 1 37 37 LEU H H 1 9.552 0.007 . 1 . . . . 37 L H . 18204 1 159 . 1 1 37 37 LEU C C 13 177.592 0.006 . 1 . . . . 37 L C . 18204 1 160 . 1 1 37 37 LEU CA C 13 56.908 0.013 . 1 . . . . 37 L CA . 18204 1 161 . 1 1 37 37 LEU CB C 13 41.380 0.006 . 1 . . . . 37 L CB . 18204 1 162 . 1 1 37 37 LEU N N 15 126.469 0.003 . 1 . . . . 37 L N . 18204 1 163 . 1 1 38 38 GLY H H 1 9.269 0.007 . 1 . . . . 38 G H . 18204 1 164 . 1 1 38 38 GLY C C 13 172.828 0.014 . 1 . . . . 38 G C . 18204 1 165 . 1 1 38 38 GLY CA C 13 45.823 0.012 . 1 . . . . 38 G CA . 18204 1 166 . 1 1 38 38 GLY N N 15 116.480 0.005 . 1 . . . . 38 G N . 18204 1 167 . 1 1 39 39 LYS H H 1 7.576 0.006 . 1 . . . . 39 K H . 18204 1 168 . 1 1 39 39 LYS C C 13 175.035 0.002 . 1 . . . . 39 K C . 18204 1 169 . 1 1 39 39 LYS CA C 13 57.163 0.008 . 1 . . . . 39 K CA . 18204 1 170 . 1 1 39 39 LYS CB C 13 35.651 0.003 . 1 . . . . 39 K CB . 18204 1 171 . 1 1 39 39 LYS N N 15 121.507 0.004 . 1 . . . . 39 K N . 18204 1 172 . 1 1 40 40 VAL H H 1 8.764 0.007 . 1 . . . . 40 V H . 18204 1 173 . 1 1 40 40 VAL C C 13 176.102 0.010 . 1 . . . . 40 V C . 18204 1 174 . 1 1 40 40 VAL CA C 13 63.309 0.011 . 1 . . . . 40 V CA . 18204 1 175 . 1 1 40 40 VAL CB C 13 31.623 0.019 . 1 . . . . 40 V CB . 18204 1 176 . 1 1 40 40 VAL N N 15 128.133 0.006 . 1 . . . . 40 V N . 18204 1 177 . 1 1 41 41 LEU H H 1 9.232 0.007 . 1 . . . . 41 L H . 18204 1 178 . 1 1 41 41 LEU C C 13 176.428 0.007 . 1 . . . . 41 L C . 18204 1 179 . 1 1 41 41 LEU CA C 13 52.928 0.005 . 1 . . . . 41 L CA . 18204 1 180 . 1 1 41 41 LEU CB C 13 45.821 0.008 . 1 . . . . 41 L CB . 18204 1 181 . 1 1 41 41 LEU N N 15 130.211 0.004 . 1 . . . . 41 L N . 18204 1 182 . 1 1 42 42 THR H H 1 8.626 0.007 . 1 . . . . 42 T H . 18204 1 183 . 1 1 42 42 THR C C 13 174.602 0.000 . 1 . . . . 42 T C . 18204 1 184 . 1 1 42 42 THR CA C 13 58.492 0.000 . 1 . . . . 42 T CA . 18204 1 185 . 1 1 42 42 THR CB C 13 68.731 0.000 . 1 . . . . 42 T CB . 18204 1 186 . 1 1 42 42 THR N N 15 110.207 0.007 . 1 . . . . 42 T N . 18204 1 187 . 1 1 43 43 PRO C C 13 179.489 0.000 . 1 . . . . 43 P C . 18204 1 188 . 1 1 43 43 PRO CA C 13 65.275 0.006 . 1 . . . . 43 P CA . 18204 1 189 . 1 1 43 43 PRO CB C 13 29.550 0.009 . 1 . . . . 43 P CB . 18204 1 190 . 1 1 44 44 THR H H 1 8.606 0.006 . 1 . . . . 44 T H . 18204 1 191 . 1 1 44 44 THR C C 13 176.465 0.000 . 1 . . . . 44 T C . 18204 1 192 . 1 1 44 44 THR CA C 13 68.650 0.000 . 1 . . . . 44 T CA . 18204 1 193 . 1 1 44 44 THR N N 15 115.057 0.007 . 1 . . . . 44 T N . 18204 1 194 . 1 1 45 45 GLN C C 13 174.670 0.004 . 1 . . . . 45 Q C . 18204 1 195 . 1 1 45 45 GLN CA C 13 58.449 0.000 . 1 . . . . 45 Q CA . 18204 1 196 . 1 1 45 45 GLN CB C 13 29.693 0.000 . 1 . . . . 45 Q CB . 18204 1 197 . 1 1 46 46 VAL H H 1 6.681 0.007 . 1 . . . . 46 V H . 18204 1 198 . 1 1 46 46 VAL C C 13 176.053 0.000 . 1 . . . . 46 V C . 18204 1 199 . 1 1 46 46 VAL CA C 13 60.670 0.000 . 1 . . . . 46 V CA . 18204 1 200 . 1 1 46 46 VAL CB C 13 32.292 0.000 . 1 . . . . 46 V CB . 18204 1 201 . 1 1 46 46 VAL N N 15 115.984 0.003 . 1 . . . . 46 V N . 18204 1 202 . 1 1 47 47 LYS C C 13 175.967 0.002 . 1 . . . . 47 K C . 18204 1 203 . 1 1 47 47 LYS CA C 13 58.314 0.017 . 1 . . . . 47 K CA . 18204 1 204 . 1 1 47 47 LYS CB C 13 31.377 0.008 . 1 . . . . 47 K CB . 18204 1 205 . 1 1 48 48 ASN H H 1 8.114 0.007 . 1 . . . . 48 N H . 18204 1 206 . 1 1 48 48 ASN C C 13 172.278 0.008 . 1 . . . . 48 N C . 18204 1 207 . 1 1 48 48 ASN CA C 13 50.977 0.013 . 1 . . . . 48 N CA . 18204 1 208 . 1 1 48 48 ASN CB C 13 41.624 0.000 . 1 . . . . 48 N CB . 18204 1 209 . 1 1 48 48 ASN N N 15 118.686 0.006 . 1 . . . . 48 N N . 18204 1 210 . 1 1 49 49 ARG H H 1 7.568 0.007 . 1 . . . . 49 R H . 18204 1 211 . 1 1 49 49 ARG C C 13 174.041 0.000 . 1 . . . . 49 R C . 18204 1 212 . 1 1 49 49 ARG CA C 13 54.331 0.000 . 1 . . . . 49 R CA . 18204 1 213 . 1 1 49 49 ARG CB C 13 29.527 0.000 . 1 . . . . 49 R CB . 18204 1 214 . 1 1 49 49 ARG N N 15 113.624 0.002 . 1 . . . . 49 R N . 18204 1 215 . 1 1 50 50 PRO C C 13 175.577 0.006 . 1 . . . . 50 P C . 18204 1 216 . 1 1 50 50 PRO CA C 13 63.511 0.007 . 1 . . . . 50 P CA . 18204 1 217 . 1 1 50 50 PRO CB C 13 31.795 0.006 . 1 . . . . 50 P CB . 18204 1 218 . 1 1 51 51 THR H H 1 8.651 0.006 . 1 . . . . 51 T H . 18204 1 219 . 1 1 51 51 THR C C 13 176.381 0.012 . 1 . . . . 51 T C . 18204 1 220 . 1 1 51 51 THR CA C 13 62.281 0.018 . 1 . . . . 51 T CA . 18204 1 221 . 1 1 51 51 THR CB C 13 68.656 0.018 . 1 . . . . 51 T CB . 18204 1 222 . 1 1 51 51 THR N N 15 112.507 0.002 . 1 . . . . 51 T N . 18204 1 223 . 1 1 52 52 SER H H 1 7.254 0.006 . 1 . . . . 52 S H . 18204 1 224 . 1 1 52 52 SER C C 13 172.276 0.004 . 1 . . . . 52 S C . 18204 1 225 . 1 1 52 52 SER CA C 13 58.333 0.012 . 1 . . . . 52 S CA . 18204 1 226 . 1 1 52 52 SER CB C 13 65.000 0.015 . 1 . . . . 52 S CB . 18204 1 227 . 1 1 52 52 SER N N 15 113.374 0.008 . 1 . . . . 52 S N . 18204 1 228 . 1 1 53 53 ILE H H 1 8.341 0.007 . 1 . . . . 53 I H . 18204 1 229 . 1 1 53 53 ILE C C 13 174.541 0.007 . 1 . . . . 53 I C . 18204 1 230 . 1 1 53 53 ILE CA C 13 59.231 0.063 . 1 . . . . 53 I CA . 18204 1 231 . 1 1 53 53 ILE CB C 13 41.876 0.014 . 1 . . . . 53 I CB . 18204 1 232 . 1 1 53 53 ILE N N 15 116.763 0.006 . 1 . . . . 53 I N . 18204 1 233 . 1 1 54 54 SER H H 1 8.497 0.006 . 1 . . . . 54 S H . 18204 1 234 . 1 1 54 54 SER C C 13 171.329 0.004 . 1 . . . . 54 S C . 18204 1 235 . 1 1 54 54 SER CA C 13 59.068 0.020 . 1 . . . . 54 S CA . 18204 1 236 . 1 1 54 54 SER CB C 13 63.973 0.015 . 1 . . . . 54 S CB . 18204 1 237 . 1 1 54 54 SER N N 15 112.502 0.002 . 1 . . . . 54 S N . 18204 1 238 . 1 1 55 55 TRP H H 1 6.594 0.005 . 1 . . . . 55 W H . 18204 1 239 . 1 1 55 55 TRP C C 13 174.348 0.004 . 1 . . . . 55 W C . 18204 1 240 . 1 1 55 55 TRP CA C 13 56.873 0.011 . 1 . . . . 55 W CA . 18204 1 241 . 1 1 55 55 TRP CB C 13 33.086 0.010 . 1 . . . . 55 W CB . 18204 1 242 . 1 1 55 55 TRP N N 15 119.040 0.004 . 1 . . . . 55 W N . 18204 1 243 . 1 1 56 56 ASP H H 1 9.557 0.007 . 1 . . . . 56 D H . 18204 1 244 . 1 1 56 56 ASP C C 13 175.327 0.007 . 1 . . . . 56 D C . 18204 1 245 . 1 1 56 56 ASP CA C 13 55.250 0.006 . 1 . . . . 56 D CA . 18204 1 246 . 1 1 56 56 ASP CB C 13 40.303 0.011 . 1 . . . . 56 D CB . 18204 1 247 . 1 1 56 56 ASP N N 15 124.021 0.005 . 1 . . . . 56 D N . 18204 1 248 . 1 1 57 57 GLY H H 1 8.102 0.008 . 1 . . . . 57 G H . 18204 1 249 . 1 1 57 57 GLY C C 13 174.928 0.013 . 1 . . . . 57 G C . 18204 1 250 . 1 1 57 57 GLY CA C 13 44.677 0.011 . 1 . . . . 57 G CA . 18204 1 251 . 1 1 57 57 GLY N N 15 107.599 0.009 . 1 . . . . 57 G N . 18204 1 252 . 1 1 58 58 LEU H H 1 6.397 0.007 . 1 . . . . 58 L H . 18204 1 253 . 1 1 58 58 LEU C C 13 174.552 0.006 . 1 . . . . 58 L C . 18204 1 254 . 1 1 58 58 LEU CA C 13 56.719 0.007 . 1 . . . . 58 L CA . 18204 1 255 . 1 1 58 58 LEU CB C 13 41.421 0.003 . 1 . . . . 58 L CB . 18204 1 256 . 1 1 58 58 LEU N N 15 123.022 0.009 . 1 . . . . 58 L N . 18204 1 257 . 1 1 59 59 ASP H H 1 7.972 0.007 . 1 . . . . 59 D H . 18204 1 258 . 1 1 59 59 ASP C C 13 176.711 0.007 . 1 . . . . 59 D C . 18204 1 259 . 1 1 59 59 ASP CA C 13 52.133 0.015 . 1 . . . . 59 D CA . 18204 1 260 . 1 1 59 59 ASP CB C 13 43.215 0.015 . 1 . . . . 59 D CB . 18204 1 261 . 1 1 59 59 ASP N N 15 127.249 0.006 . 1 . . . . 59 D N . 18204 1 262 . 1 1 60 60 SER H H 1 8.869 0.007 . 1 . . . . 60 S H . 18204 1 263 . 1 1 60 60 SER C C 13 174.380 0.025 . 1 . . . . 60 S C . 18204 1 264 . 1 1 60 60 SER CA C 13 60.937 0.031 . 1 . . . . 60 S CA . 18204 1 265 . 1 1 60 60 SER CB C 13 62.911 0.004 . 1 . . . . 60 S CB . 18204 1 266 . 1 1 60 60 SER N N 15 121.872 0.006 . 1 . . . . 60 S N . 18204 1 267 . 1 1 61 61 GLY H H 1 9.253 0.007 . 1 . . . . 61 G H . 18204 1 268 . 1 1 61 61 GLY CA C 13 44.830 0.027 . 1 . . . . 61 G CA . 18204 1 269 . 1 1 61 61 GLY N N 15 109.190 0.005 . 1 . . . . 61 G N . 18204 1 270 . 1 1 62 62 LYS H H 1 7.681 0.007 . 1 . . . . 62 K H . 18204 1 271 . 1 1 62 62 LYS C C 13 174.032 0.008 . 1 . . . . 62 K C . 18204 1 272 . 1 1 62 62 LYS CA C 13 55.421 0.009 . 1 . . . . 62 K CA . 18204 1 273 . 1 1 62 62 LYS CB C 13 35.485 0.002 . 1 . . . . 62 K CB . 18204 1 274 . 1 1 62 62 LYS N N 15 122.142 0.004 . 1 . . . . 62 K N . 18204 1 275 . 1 1 63 63 LEU H H 1 8.168 0.007 . 1 . . . . 63 L H . 18204 1 276 . 1 1 63 63 LEU C C 13 175.809 0.008 . 1 . . . . 63 L C . 18204 1 277 . 1 1 63 63 LEU CA C 13 52.240 0.021 . 1 . . . . 63 L CA . 18204 1 278 . 1 1 63 63 LEU CB C 13 45.853 0.031 . 1 . . . . 63 L CB . 18204 1 279 . 1 1 63 63 LEU N N 15 119.349 0.007 . 1 . . . . 63 L N . 18204 1 280 . 1 1 64 64 TYR H H 1 9.478 0.006 . 1 . . . . 64 Y H . 18204 1 281 . 1 1 64 64 TYR C C 13 174.835 0.009 . 1 . . . . 64 Y C . 18204 1 282 . 1 1 64 64 TYR CA C 13 57.289 0.023 . 1 . . . . 64 Y CA . 18204 1 283 . 1 1 64 64 TYR CB C 13 43.329 0.103 . 1 . . . . 64 Y CB . 18204 1 284 . 1 1 64 64 TYR N N 15 116.893 0.004 . 1 . . . . 64 Y N . 18204 1 285 . 1 1 65 65 THR H H 1 9.360 0.007 . 1 . . . . 65 T H . 18204 1 286 . 1 1 65 65 THR C C 13 172.467 0.004 . 1 . . . . 65 T C . 18204 1 287 . 1 1 65 65 THR CA C 13 62.388 0.022 . 1 . . . . 65 T CA . 18204 1 288 . 1 1 65 65 THR CB C 13 72.840 0.012 . 1 . . . . 65 T CB . 18204 1 289 . 1 1 65 65 THR N N 15 118.121 0.014 . 1 . . . . 65 T N . 18204 1 290 . 1 1 66 66 LEU H H 1 9.574 0.007 . 1 . . . . 66 L H . 18204 1 291 . 1 1 66 66 LEU C C 13 174.320 0.004 . 1 . . . . 66 L C . 18204 1 292 . 1 1 66 66 LEU CA C 13 53.433 0.011 . 1 . . . . 66 L CA . 18204 1 293 . 1 1 66 66 LEU CB C 13 47.591 0.007 . 1 . . . . 66 L CB . 18204 1 294 . 1 1 66 66 LEU N N 15 129.861 0.004 . 1 . . . . 66 L N . 18204 1 295 . 1 1 67 67 VAL H H 1 9.430 0.007 . 1 . . . . 67 V H . 18204 1 296 . 1 1 67 67 VAL C C 13 173.767 0.004 . 1 . . . . 67 V C . 18204 1 297 . 1 1 67 67 VAL CA C 13 60.190 0.010 . 1 . . . . 67 V CA . 18204 1 298 . 1 1 67 67 VAL CB C 13 36.829 0.001 . 1 . . . . 67 V CB . 18204 1 299 . 1 1 67 67 VAL N N 15 124.628 0.005 . 1 . . . . 67 V N . 18204 1 300 . 1 1 68 68 LEU H H 1 8.386 0.007 . 1 . . . . 68 L H . 18204 1 301 . 1 1 68 68 LEU C C 13 176.441 0.008 . 1 . . . . 68 L C . 18204 1 302 . 1 1 68 68 LEU CA C 13 53.752 0.010 . 1 . . . . 68 L CA . 18204 1 303 . 1 1 68 68 LEU CB C 13 44.562 0.033 . 1 . . . . 68 L CB . 18204 1 304 . 1 1 68 68 LEU N N 15 125.508 0.003 . 1 . . . . 68 L N . 18204 1 305 . 1 1 69 69 THR H H 1 9.225 0.007 . 1 . . . . 69 T H . 18204 1 306 . 1 1 69 69 THR C C 13 169.322 0.003 . 1 . . . . 69 T C . 18204 1 307 . 1 1 69 69 THR CA C 13 60.332 0.011 . 1 . . . . 69 T CA . 18204 1 308 . 1 1 69 69 THR CB C 13 72.389 0.010 . 1 . . . . 69 T CB . 18204 1 309 . 1 1 69 69 THR N N 15 124.025 0.005 . 1 . . . . 69 T N . 18204 1 310 . 1 1 70 70 ASP H H 1 8.399 0.007 . 1 . . . . 70 D H . 18204 1 311 . 1 1 70 70 ASP C C 13 175.984 0.000 . 1 . . . . 70 D C . 18204 1 312 . 1 1 70 70 ASP CA C 13 49.719 0.000 . 1 . . . . 70 D CA . 18204 1 313 . 1 1 70 70 ASP CB C 13 43.040 0.000 . 1 . . . . 70 D CB . 18204 1 314 . 1 1 70 70 ASP N N 15 126.287 0.010 . 1 . . . . 70 D N . 18204 1 315 . 1 1 71 71 PRO C C 13 176.163 0.007 . 1 . . . . 71 P C . 18204 1 316 . 1 1 71 71 PRO CA C 13 63.226 0.020 . 1 . . . . 71 P CA . 18204 1 317 . 1 1 71 71 PRO CB C 13 32.144 0.045 . 1 . . . . 71 P CB . 18204 1 318 . 1 1 72 72 ASP H H 1 9.307 0.007 . 1 . . . . 72 D H . 18204 1 319 . 1 1 72 72 ASP C C 13 170.425 0.003 . 1 . . . . 72 D C . 18204 1 320 . 1 1 72 72 ASP CA C 13 54.456 0.016 . 1 . . . . 72 D CA . 18204 1 321 . 1 1 72 72 ASP CB C 13 40.792 0.033 . 1 . . . . 72 D CB . 18204 1 322 . 1 1 72 72 ASP N N 15 130.276 0.012 . 1 . . . . 72 D N . 18204 1 323 . 1 1 73 73 ALA H H 1 5.629 0.008 . 1 . . . . 73 A H . 18204 1 324 . 1 1 73 73 ALA C C 13 176.071 0.000 . 1 . . . . 73 A C . 18204 1 325 . 1 1 73 73 ALA CA C 13 47.358 0.000 . 1 . . . . 73 A CA . 18204 1 326 . 1 1 73 73 ALA CB C 13 22.349 0.000 . 1 . . . . 73 A CB . 18204 1 327 . 1 1 73 73 ALA N N 15 116.245 0.007 . 1 . . . . 73 A N . 18204 1 328 . 1 1 74 74 PRO C C 13 174.702 0.004 . 1 . . . . 74 P C . 18204 1 329 . 1 1 74 74 PRO CA C 13 64.689 0.015 . 1 . . . . 74 P CA . 18204 1 330 . 1 1 74 74 PRO CB C 13 34.409 0.022 . 1 . . . . 74 P CB . 18204 1 331 . 1 1 75 75 SER H H 1 6.589 0.006 . 1 . . . . 75 S H . 18204 1 332 . 1 1 75 75 SER C C 13 173.258 0.005 . 1 . . . . 75 S C . 18204 1 333 . 1 1 75 75 SER CA C 13 56.744 0.016 . 1 . . . . 75 S CA . 18204 1 334 . 1 1 75 75 SER CB C 13 66.984 0.005 . 1 . . . . 75 S CB . 18204 1 335 . 1 1 75 75 SER N N 15 110.261 0.003 . 1 . . . . 75 S N . 18204 1 336 . 1 1 76 76 ARG H H 1 8.982 0.007 . 1 . . . . 76 R H . 18204 1 337 . 1 1 76 76 ARG C C 13 177.685 0.006 . 1 . . . . 76 R C . 18204 1 338 . 1 1 76 76 ARG CA C 13 58.661 0.019 . 1 . . . . 76 R CA . 18204 1 339 . 1 1 76 76 ARG CB C 13 30.579 0.004 . 1 . . . . 76 R CB . 18204 1 340 . 1 1 76 76 ARG N N 15 120.621 0.004 . 1 . . . . 76 R N . 18204 1 341 . 1 1 77 77 LYS H H 1 7.483 0.006 . 1 . . . . 77 K H . 18204 1 342 . 1 1 77 77 LYS C C 13 176.603 0.007 . 1 . . . . 77 K C . 18204 1 343 . 1 1 77 77 LYS CA C 13 57.475 0.003 . 1 . . . . 77 K CA . 18204 1 344 . 1 1 77 77 LYS CB C 13 32.789 0.003 . 1 . . . . 77 K CB . 18204 1 345 . 1 1 77 77 LYS N N 15 115.346 0.007 . 1 . . . . 77 K N . 18204 1 346 . 1 1 78 78 ASP H H 1 7.284 0.007 . 1 . . . . 78 D H . 18204 1 347 . 1 1 78 78 ASP C C 13 173.147 0.000 . 1 . . . . 78 D C . 18204 1 348 . 1 1 78 78 ASP CA C 13 51.440 0.000 . 1 . . . . 78 D CA . 18204 1 349 . 1 1 78 78 ASP CB C 13 40.717 0.000 . 1 . . . . 78 D CB . 18204 1 350 . 1 1 78 78 ASP N N 15 116.601 0.004 . 1 . . . . 78 D N . 18204 1 351 . 1 1 79 79 PRO C C 13 178.679 0.000 . 1 . . . . 79 P C . 18204 1 352 . 1 1 79 79 PRO CA C 13 63.341 0.028 . 1 . . . . 79 P CA . 18204 1 353 . 1 1 79 79 PRO CB C 13 28.740 0.003 . 1 . . . . 79 P CB . 18204 1 354 . 1 1 80 80 LYS H H 1 8.407 0.007 . 1 . . . . 80 K H . 18204 1 355 . 1 1 80 80 LYS C C 13 177.600 0.008 . 1 . . . . 80 K C . 18204 1 356 . 1 1 80 80 LYS CA C 13 58.977 0.010 . 1 . . . . 80 K CA . 18204 1 357 . 1 1 80 80 LYS CB C 13 33.022 0.018 . 1 . . . . 80 K CB . 18204 1 358 . 1 1 80 80 LYS N N 15 123.820 0.008 . 1 . . . . 80 K N . 18204 1 359 . 1 1 81 81 TYR H H 1 9.001 0.007 . 1 . . . . 81 Y H . 18204 1 360 . 1 1 81 81 TYR C C 13 174.595 0.005 . 1 . . . . 81 Y C . 18204 1 361 . 1 1 81 81 TYR CA C 13 54.268 0.017 . 1 . . . . 81 Y CA . 18204 1 362 . 1 1 81 81 TYR CB C 13 37.540 0.011 . 1 . . . . 81 Y CB . 18204 1 363 . 1 1 81 81 TYR N N 15 117.285 0.006 . 1 . . . . 81 Y N . 18204 1 364 . 1 1 82 82 ARG H H 1 7.605 0.006 . 1 . . . . 82 R H . 18204 1 365 . 1 1 82 82 ARG C C 13 177.670 0.009 . 1 . . . . 82 R C . 18204 1 366 . 1 1 82 82 ARG CA C 13 51.978 0.023 . 1 . . . . 82 R CA . 18204 1 367 . 1 1 82 82 ARG CB C 13 31.922 0.004 . 1 . . . . 82 R CB . 18204 1 368 . 1 1 82 82 ARG N N 15 121.252 0.009 . 1 . . . . 82 R N . 18204 1 369 . 1 1 83 83 GLU H H 1 9.714 0.009 . 1 . . . . 83 E H . 18204 1 370 . 1 1 83 83 GLU C C 13 174.895 0.006 . 1 . . . . 83 E C . 18204 1 371 . 1 1 83 83 GLU CA C 13 58.201 0.027 . 1 . . . . 83 E CA . 18204 1 372 . 1 1 83 83 GLU CB C 13 30.299 0.013 . 1 . . . . 83 E CB . 18204 1 373 . 1 1 83 83 GLU N N 15 128.517 0.017 . 1 . . . . 83 E N . 18204 1 374 . 1 1 84 84 TRP H H 1 9.144 0.007 . 1 . . . . 84 W H . 18204 1 375 . 1 1 84 84 TRP C C 13 176.407 0.008 . 1 . . . . 84 W C . 18204 1 376 . 1 1 84 84 TRP CA C 13 58.114 0.021 . 1 . . . . 84 W CA . 18204 1 377 . 1 1 84 84 TRP CB C 13 32.131 0.026 . 1 . . . . 84 W CB . 18204 1 378 . 1 1 84 84 TRP N N 15 124.605 0.005 . 1 . . . . 84 W N . 18204 1 379 . 1 1 85 85 HIS H H 1 7.871 0.006 . 1 . . . . 85 H H . 18204 1 380 . 1 1 85 85 HIS C C 13 171.870 0.007 . 1 . . . . 85 H C . 18204 1 381 . 1 1 85 85 HIS CA C 13 55.470 0.013 . 1 . . . . 85 H CA . 18204 1 382 . 1 1 85 85 HIS CB C 13 30.751 0.116 . 1 . . . . 85 H CB . 18204 1 383 . 1 1 85 85 HIS N N 15 124.732 0.008 . 1 . . . . 85 H N . 18204 1 384 . 1 1 86 86 HIS H H 1 8.707 0.006 . 1 . . . . 86 H H . 18204 1 385 . 1 1 86 86 HIS C C 13 175.328 0.007 . 1 . . . . 86 H C . 18204 1 386 . 1 1 86 86 HIS CA C 13 59.408 0.012 . 1 . . . . 86 H CA . 18204 1 387 . 1 1 86 86 HIS CB C 13 31.249 0.079 . 1 . . . . 86 H CB . 18204 1 388 . 1 1 86 86 HIS N N 15 122.734 0.009 . 1 . . . . 86 H N . 18204 1 389 . 1 1 87 87 PHE H H 1 7.742 0.006 . 1 . . . . 87 F H . 18204 1 390 . 1 1 87 87 PHE C C 13 173.048 0.002 . 1 . . . . 87 F C . 18204 1 391 . 1 1 87 87 PHE CA C 13 54.153 0.017 . 1 . . . . 87 F CA . 18204 1 392 . 1 1 87 87 PHE CB C 13 43.089 0.010 . 1 . . . . 87 F CB . 18204 1 393 . 1 1 87 87 PHE N N 15 118.670 0.007 . 1 . . . . 87 F N . 18204 1 394 . 1 1 88 88 LEU H H 1 8.416 0.007 . 1 . . . . 88 L H . 18204 1 395 . 1 1 88 88 LEU C C 13 173.537 0.003 . 1 . . . . 88 L C . 18204 1 396 . 1 1 88 88 LEU CA C 13 55.566 0.002 . 1 . . . . 88 L CA . 18204 1 397 . 1 1 88 88 LEU CB C 13 45.666 0.008 . 1 . . . . 88 L CB . 18204 1 398 . 1 1 88 88 LEU N N 15 129.028 0.002 . 1 . . . . 88 L N . 18204 1 399 . 1 1 89 89 VAL H H 1 9.266 0.007 . 1 . . . . 89 V H . 18204 1 400 . 1 1 89 89 VAL C C 13 174.203 0.007 . 1 . . . . 89 V C . 18204 1 401 . 1 1 89 89 VAL CA C 13 60.606 0.015 . 1 . . . . 89 V CA . 18204 1 402 . 1 1 89 89 VAL CB C 13 35.813 0.026 . 1 . . . . 89 V CB . 18204 1 403 . 1 1 89 89 VAL N N 15 130.476 0.008 . 1 . . . . 89 V N . 18204 1 404 . 1 1 90 90 VAL H H 1 8.688 0.006 . 1 . . . . 90 V H . 18204 1 405 . 1 1 90 90 VAL C C 13 175.455 0.011 . 1 . . . . 90 V C . 18204 1 406 . 1 1 90 90 VAL CA C 13 58.601 0.006 . 1 . . . . 90 V CA . 18204 1 407 . 1 1 90 90 VAL CB C 13 35.820 0.020 . 1 . . . . 90 V CB . 18204 1 408 . 1 1 90 90 VAL N N 15 116.100 0.006 . 1 . . . . 90 V N . 18204 1 409 . 1 1 91 91 ASN H H 1 9.391 0.006 . 1 . . . . 91 N H . 18204 1 410 . 1 1 91 91 ASN C C 13 173.417 0.005 . 1 . . . . 91 N C . 18204 1 411 . 1 1 91 91 ASN CA C 13 54.363 0.011 . 1 . . . . 91 N CA . 18204 1 412 . 1 1 91 91 ASN CB C 13 36.207 0.062 . 1 . . . . 91 N CB . 18204 1 413 . 1 1 91 91 ASN N N 15 115.573 0.004 . 1 . . . . 91 N N . 18204 1 414 . 1 1 92 92 MET H H 1 9.363 0.007 . 1 . . . . 92 M H . 18204 1 415 . 1 1 92 92 MET C C 13 175.017 0.010 . 1 . . . . 92 M C . 18204 1 416 . 1 1 92 92 MET CA C 13 56.420 0.036 . 1 . . . . 92 M CA . 18204 1 417 . 1 1 92 92 MET CB C 13 34.176 0.018 . 1 . . . . 92 M CB . 18204 1 418 . 1 1 92 92 MET N N 15 120.005 0.003 . 1 . . . . 92 M N . 18204 1 419 . 1 1 93 93 LYS H H 1 8.555 0.007 . 1 . . . . 93 K H . 18204 1 420 . 1 1 93 93 LYS C C 13 177.828 0.008 . 1 . . . . 93 K C . 18204 1 421 . 1 1 93 93 LYS CA C 13 55.705 0.020 . 1 . . . . 93 K CA . 18204 1 422 . 1 1 93 93 LYS CB C 13 31.600 0.026 . 1 . . . . 93 K CB . 18204 1 423 . 1 1 93 93 LYS N N 15 127.099 0.006 . 1 . . . . 93 K N . 18204 1 424 . 1 1 94 94 GLY H H 1 8.965 0.006 . 1 . . . . 94 G H . 18204 1 425 . 1 1 94 94 GLY C C 13 169.868 0.007 . 1 . . . . 94 G C . 18204 1 426 . 1 1 94 94 GLY CA C 13 48.125 0.010 . 1 . . . . 94 G CA . 18204 1 427 . 1 1 94 94 GLY N N 15 118.169 0.008 . 1 . . . . 94 G N . 18204 1 428 . 1 1 95 95 ASN H H 1 7.725 0.006 . 1 . . . . 95 N H . 18204 1 429 . 1 1 95 95 ASN C C 13 175.512 0.008 . 1 . . . . 95 N C . 18204 1 430 . 1 1 95 95 ASN CA C 13 50.612 0.018 . 1 . . . . 95 N CA . 18204 1 431 . 1 1 95 95 ASN CB C 13 37.631 0.017 . 1 . . . . 95 N CB . 18204 1 432 . 1 1 95 95 ASN N N 15 118.946 0.004 . 1 . . . . 95 N N . 18204 1 433 . 1 1 96 96 ASP H H 1 7.843 0.006 . 1 . . . . 96 D H . 18204 1 434 . 1 1 96 96 ASP C C 13 177.178 0.013 . 1 . . . . 96 D C . 18204 1 435 . 1 1 96 96 ASP CA C 13 52.221 0.029 . 1 . . . . 96 D CA . 18204 1 436 . 1 1 96 96 ASP CB C 13 39.346 0.008 . 1 . . . . 96 D CB . 18204 1 437 . 1 1 96 96 ASP N N 15 116.729 0.005 . 1 . . . . 96 D N . 18204 1 438 . 1 1 97 97 ILE H H 1 8.289 0.007 . 1 . . . . 97 I H . 18204 1 439 . 1 1 97 97 ILE C C 13 177.491 0.007 . 1 . . . . 97 I C . 18204 1 440 . 1 1 97 97 ILE CA C 13 65.893 0.009 . 1 . . . . 97 I CA . 18204 1 441 . 1 1 97 97 ILE CB C 13 38.269 0.003 . 1 . . . . 97 I CB . 18204 1 442 . 1 1 97 97 ILE N N 15 129.549 0.009 . 1 . . . . 97 I N . 18204 1 443 . 1 1 98 98 SER H H 1 8.073 0.007 . 1 . . . . 98 S H . 18204 1 444 . 1 1 98 98 SER C C 13 174.691 0.006 . 1 . . . . 98 S C . 18204 1 445 . 1 1 98 98 SER CA C 13 60.702 0.014 . 1 . . . . 98 S CA . 18204 1 446 . 1 1 98 98 SER CB C 13 63.401 0.007 . 1 . . . . 98 S CB . 18204 1 447 . 1 1 98 98 SER N N 15 113.210 0.005 . 1 . . . . 98 S N . 18204 1 448 . 1 1 99 99 SER H H 1 7.860 0.006 . 1 . . . . 99 S H . 18204 1 449 . 1 1 99 99 SER C C 13 175.547 0.011 . 1 . . . . 99 S C . 18204 1 450 . 1 1 99 99 SER CA C 13 59.484 0.023 . 1 . . . . 99 S CA . 18204 1 451 . 1 1 99 99 SER CB C 13 65.337 0.020 . 1 . . . . 99 S CB . 18204 1 452 . 1 1 99 99 SER N N 15 117.440 0.006 . 1 . . . . 99 S N . 18204 1 453 . 1 1 100 100 GLY H H 1 7.723 0.006 . 1 . . . . 100 G H . 18204 1 454 . 1 1 100 100 GLY C C 13 172.877 0.006 . 1 . . . . 100 G C . 18204 1 455 . 1 1 100 100 GLY CA C 13 44.240 0.014 . 1 . . . . 100 G CA . 18204 1 456 . 1 1 100 100 GLY N N 15 107.360 0.004 . 1 . . . . 100 G N . 18204 1 457 . 1 1 101 101 THR H H 1 9.354 0.006 . 1 . . . . 101 T H . 18204 1 458 . 1 1 101 101 THR C C 13 173.192 0.011 . 1 . . . . 101 T C . 18204 1 459 . 1 1 101 101 THR CA C 13 62.365 0.031 . 1 . . . . 101 T CA . 18204 1 460 . 1 1 101 101 THR CB C 13 69.834 0.006 . 1 . . . . 101 T CB . 18204 1 461 . 1 1 101 101 THR N N 15 118.052 0.004 . 1 . . . . 101 T N . 18204 1 462 . 1 1 102 102 VAL H H 1 9.009 0.007 . 1 . . . . 102 V H . 18204 1 463 . 1 1 102 102 VAL C C 13 175.696 0.004 . 1 . . . . 102 V C . 18204 1 464 . 1 1 102 102 VAL CA C 13 63.024 0.021 . 1 . . . . 102 V CA . 18204 1 465 . 1 1 102 102 VAL CB C 13 30.889 0.008 . 1 . . . . 102 V CB . 18204 1 466 . 1 1 102 102 VAL N N 15 129.556 0.006 . 1 . . . . 102 V N . 18204 1 467 . 1 1 103 103 LEU H H 1 8.409 0.007 . 1 . . . . 103 L H . 18204 1 468 . 1 1 103 103 LEU C C 13 176.368 0.014 . 1 . . . . 103 L C . 18204 1 469 . 1 1 103 103 LEU CA C 13 56.628 0.026 . 1 . . . . 103 L CA . 18204 1 470 . 1 1 103 103 LEU CB C 13 41.392 0.017 . 1 . . . . 103 L CB . 18204 1 471 . 1 1 103 103 LEU N N 15 131.991 0.006 . 1 . . . . 103 L N . 18204 1 472 . 1 1 104 104 SER H H 1 7.745 0.006 . 1 . . . . 104 S H . 18204 1 473 . 1 1 104 104 SER C C 13 173.689 0.004 . 1 . . . . 104 S C . 18204 1 474 . 1 1 104 104 SER CA C 13 55.736 0.015 . 1 . . . . 104 S CA . 18204 1 475 . 1 1 104 104 SER CB C 13 62.739 0.004 . 1 . . . . 104 S CB . 18204 1 476 . 1 1 104 104 SER N N 15 110.953 0.005 . 1 . . . . 104 S N . 18204 1 477 . 1 1 105 105 ASP H H 1 8.065 0.006 . 1 . . . . 105 D H . 18204 1 478 . 1 1 105 105 ASP C C 13 176.333 0.005 . 1 . . . . 105 D C . 18204 1 479 . 1 1 105 105 ASP CA C 13 54.076 0.011 . 1 . . . . 105 D CA . 18204 1 480 . 1 1 105 105 ASP CB C 13 40.425 0.025 . 1 . . . . 105 D CB . 18204 1 481 . 1 1 105 105 ASP N N 15 123.296 0.005 . 1 . . . . 105 D N . 18204 1 482 . 1 1 106 106 TYR H H 1 8.977 0.007 . 1 . . . . 106 Y H . 18204 1 483 . 1 1 106 106 TYR C C 13 174.332 0.004 . 1 . . . . 106 Y C . 18204 1 484 . 1 1 106 106 TYR CA C 13 61.251 0.004 . 1 . . . . 106 Y CA . 18204 1 485 . 1 1 106 106 TYR CB C 13 38.787 0.007 . 1 . . . . 106 Y CB . 18204 1 486 . 1 1 106 106 TYR N N 15 122.814 0.005 . 1 . . . . 106 Y N . 18204 1 487 . 1 1 107 107 VAL H H 1 7.670 0.006 . 1 . . . . 107 V H . 18204 1 488 . 1 1 107 107 VAL C C 13 175.329 0.007 . 1 . . . . 107 V C . 18204 1 489 . 1 1 107 107 VAL CA C 13 61.405 0.028 . 1 . . . . 107 V CA . 18204 1 490 . 1 1 107 107 VAL CB C 13 35.842 0.004 . 1 . . . . 107 V CB . 18204 1 491 . 1 1 107 107 VAL N N 15 130.913 0.004 . 1 . . . . 107 V N . 18204 1 492 . 1 1 108 108 GLY H H 1 7.995 0.006 . 1 . . . . 108 G H . 18204 1 493 . 1 1 108 108 GLY C C 13 173.254 0.006 . 1 . . . . 108 G C . 18204 1 494 . 1 1 108 108 GLY CA C 13 44.353 0.008 . 1 . . . . 108 G CA . 18204 1 495 . 1 1 108 108 GLY N N 15 112.672 0.011 . 1 . . . . 108 G N . 18204 1 496 . 1 1 109 109 SER H H 1 6.134 0.006 . 1 . . . . 109 S H . 18204 1 497 . 1 1 109 109 SER C C 13 172.183 0.015 . 1 . . . . 109 S C . 18204 1 498 . 1 1 109 109 SER CA C 13 61.248 0.019 . 1 . . . . 109 S CA . 18204 1 499 . 1 1 109 109 SER CB C 13 64.895 0.030 . 1 . . . . 109 S CB . 18204 1 500 . 1 1 109 109 SER N N 15 110.439 0.006 . 1 . . . . 109 S N . 18204 1 501 . 1 1 110 110 GLY H H 1 7.647 0.008 . 1 . . . . 110 G H . 18204 1 502 . 1 1 110 110 GLY C C 13 170.035 0.000 . 1 . . . . 110 G C . 18204 1 503 . 1 1 110 110 GLY CA C 13 47.267 0.000 . 1 . . . . 110 G CA . 18204 1 504 . 1 1 110 110 GLY N N 15 109.438 0.012 . 1 . . . . 110 G N . 18204 1 505 . 1 1 112 112 PRO C C 13 178.774 0.003 . 1 . . . . 112 P C . 18204 1 506 . 1 1 112 112 PRO CA C 13 62.572 0.005 . 1 . . . . 112 P CA . 18204 1 507 . 1 1 112 112 PRO CB C 13 32.089 0.000 . 1 . . . . 112 P CB . 18204 1 508 . 1 1 113 113 LYS H H 1 9.095 0.006 . 1 . . . . 113 K H . 18204 1 509 . 1 1 113 113 LYS C C 13 177.569 0.007 . 1 . . . . 113 K C . 18204 1 510 . 1 1 113 113 LYS CA C 13 58.780 0.013 . 1 . . . . 113 K CA . 18204 1 511 . 1 1 113 113 LYS CB C 13 31.790 0.039 . 1 . . . . 113 K CB . 18204 1 512 . 1 1 113 113 LYS N N 15 130.075 0.004 . 1 . . . . 113 K N . 18204 1 513 . 1 1 114 114 GLY H H 1 9.114 0.007 . 1 . . . . 114 G H . 18204 1 514 . 1 1 114 114 GLY C C 13 175.661 0.016 . 1 . . . . 114 G C . 18204 1 515 . 1 1 114 114 GLY CA C 13 45.585 0.012 . 1 . . . . 114 G CA . 18204 1 516 . 1 1 114 114 GLY N N 15 113.930 0.008 . 1 . . . . 114 G N . 18204 1 517 . 1 1 115 115 THR H H 1 7.537 0.006 . 1 . . . . 115 T H . 18204 1 518 . 1 1 115 115 THR C C 13 174.587 0.009 . 1 . . . . 115 T C . 18204 1 519 . 1 1 115 115 THR CA C 13 62.003 0.016 . 1 . . . . 115 T CA . 18204 1 520 . 1 1 115 115 THR CB C 13 71.112 0.010 . 1 . . . . 115 T CB . 18204 1 521 . 1 1 115 115 THR N N 15 106.952 0.007 . 1 . . . . 115 T N . 18204 1 522 . 1 1 116 116 GLY H H 1 8.516 0.006 . 1 . . . . 116 G H . 18204 1 523 . 1 1 116 116 GLY C C 13 173.782 0.008 . 1 . . . . 116 G C . 18204 1 524 . 1 1 116 116 GLY CA C 13 44.916 0.010 . 1 . . . . 116 G CA . 18204 1 525 . 1 1 116 116 GLY N N 15 111.580 0.006 . 1 . . . . 116 G N . 18204 1 526 . 1 1 117 117 LEU H H 1 8.577 0.007 . 1 . . . . 117 L H . 18204 1 527 . 1 1 117 117 LEU C C 13 179.841 0.005 . 1 . . . . 117 L C . 18204 1 528 . 1 1 117 117 LEU CA C 13 55.299 0.003 . 1 . . . . 117 L CA . 18204 1 529 . 1 1 117 117 LEU CB C 13 43.111 0.018 . 1 . . . . 117 L CB . 18204 1 530 . 1 1 117 117 LEU N N 15 118.539 0.006 . 1 . . . . 117 L N . 18204 1 531 . 1 1 118 118 HIS H H 1 9.194 0.006 . 1 . . . . 118 H H . 18204 1 532 . 1 1 118 118 HIS C C 13 174.066 0.008 . 1 . . . . 118 H C . 18204 1 533 . 1 1 118 118 HIS CA C 13 53.554 0.017 . 1 . . . . 118 H CA . 18204 1 534 . 1 1 118 118 HIS CB C 13 29.926 0.018 . 1 . . . . 118 H CB . 18204 1 535 . 1 1 118 118 HIS N N 15 126.251 0.007 . 1 . . . . 118 H N . 18204 1 536 . 1 1 119 119 ARG H H 1 9.255 0.007 . 1 . . . . 119 R H . 18204 1 537 . 1 1 119 119 ARG C C 13 171.434 0.004 . 1 . . . . 119 R C . 18204 1 538 . 1 1 119 119 ARG CA C 13 55.918 0.024 . 1 . . . . 119 R CA . 18204 1 539 . 1 1 119 119 ARG CB C 13 30.777 0.025 . 1 . . . . 119 R CB . 18204 1 540 . 1 1 119 119 ARG N N 15 122.292 0.009 . 1 . . . . 119 R N . 18204 1 541 . 1 1 120 120 TYR H H 1 8.534 0.006 . 1 . . . . 120 Y H . 18204 1 542 . 1 1 120 120 TYR C C 13 174.591 0.005 . 1 . . . . 120 Y C . 18204 1 543 . 1 1 120 120 TYR CA C 13 57.476 0.006 . 1 . . . . 120 Y CA . 18204 1 544 . 1 1 120 120 TYR CB C 13 38.047 0.018 . 1 . . . . 120 Y CB . 18204 1 545 . 1 1 120 120 TYR N N 15 117.633 0.003 . 1 . . . . 120 Y N . 18204 1 546 . 1 1 121 121 VAL H H 1 8.919 0.006 . 1 . . . . 121 V H . 18204 1 547 . 1 1 121 121 VAL C C 13 175.332 0.004 . 1 . . . . 121 V C . 18204 1 548 . 1 1 121 121 VAL CA C 13 62.236 0.008 . 1 . . . . 121 V CA . 18204 1 549 . 1 1 121 121 VAL CB C 13 33.432 0.013 . 1 . . . . 121 V CB . 18204 1 550 . 1 1 121 121 VAL N N 15 124.246 0.002 . 1 . . . . 121 V N . 18204 1 551 . 1 1 122 122 TRP H H 1 8.422 0.007 . 1 . . . . 122 W H . 18204 1 552 . 1 1 122 122 TRP C C 13 176.597 0.005 . 1 . . . . 122 W C . 18204 1 553 . 1 1 122 122 TRP CA C 13 55.323 0.008 . 1 . . . . 122 W CA . 18204 1 554 . 1 1 122 122 TRP CB C 13 34.473 0.003 . 1 . . . . 122 W CB . 18204 1 555 . 1 1 122 122 TRP N N 15 127.607 0.003 . 1 . . . . 122 W N . 18204 1 556 . 1 1 123 123 LEU H H 1 9.662 0.007 . 1 . . . . 123 L H . 18204 1 557 . 1 1 123 123 LEU C C 13 174.251 0.005 . 1 . . . . 123 L C . 18204 1 558 . 1 1 123 123 LEU CA C 13 54.270 0.010 . 1 . . . . 123 L CA . 18204 1 559 . 1 1 123 123 LEU CB C 13 48.781 0.016 . 1 . . . . 123 L CB . 18204 1 560 . 1 1 123 123 LEU N N 15 121.530 0.004 . 1 . . . . 123 L N . 18204 1 561 . 1 1 124 124 VAL H H 1 8.135 0.007 . 1 . . . . 124 V H . 18204 1 562 . 1 1 124 124 VAL C C 13 175.033 0.005 . 1 . . . . 124 V C . 18204 1 563 . 1 1 124 124 VAL CA C 13 59.707 0.008 . 1 . . . . 124 V CA . 18204 1 564 . 1 1 124 124 VAL CB C 13 34.263 0.010 . 1 . . . . 124 V CB . 18204 1 565 . 1 1 124 124 VAL N N 15 118.434 0.005 . 1 . . . . 124 V N . 18204 1 566 . 1 1 125 125 TYR H H 1 9.597 0.007 . 1 . . . . 125 Y H . 18204 1 567 . 1 1 125 125 TYR C C 13 175.548 0.009 . 1 . . . . 125 Y C . 18204 1 568 . 1 1 125 125 TYR CA C 13 56.921 0.051 . 1 . . . . 125 Y CA . 18204 1 569 . 1 1 125 125 TYR CB C 13 42.812 0.002 . 1 . . . . 125 Y CB . 18204 1 570 . 1 1 125 125 TYR N N 15 124.953 0.004 . 1 . . . . 125 Y N . 18204 1 571 . 1 1 126 126 GLU H H 1 9.009 0.007 . 1 . . . . 126 E H . 18204 1 572 . 1 1 126 126 GLU C C 13 175.042 0.004 . 1 . . . . 126 E C . 18204 1 573 . 1 1 126 126 GLU CA C 13 56.394 0.058 . 1 . . . . 126 E CA . 18204 1 574 . 1 1 126 126 GLU CB C 13 32.235 0.004 . 1 . . . . 126 E CB . 18204 1 575 . 1 1 126 126 GLU N N 15 123.989 0.001 . 1 . . . . 126 E N . 18204 1 576 . 1 1 127 127 GLN H H 1 8.509 0.006 . 1 . . . . 127 Q H . 18204 1 577 . 1 1 127 127 GLN C C 13 176.478 0.009 . 1 . . . . 127 Q C . 18204 1 578 . 1 1 127 127 GLN CA C 13 54.332 0.046 . 1 . . . . 127 Q CA . 18204 1 579 . 1 1 127 127 GLN CB C 13 30.418 0.004 . 1 . . . . 127 Q CB . 18204 1 580 . 1 1 127 127 GLN N N 15 122.305 0.007 . 1 . . . . 127 Q N . 18204 1 581 . 1 1 128 128 ASP H H 1 8.921 0.007 . 1 . . . . 128 D H . 18204 1 582 . 1 1 128 128 ASP C C 13 175.187 0.010 . 1 . . . . 128 D C . 18204 1 583 . 1 1 128 128 ASP CA C 13 54.791 0.033 . 1 . . . . 128 D CA . 18204 1 584 . 1 1 128 128 ASP CB C 13 41.924 0.016 . 1 . . . . 128 D CB . 18204 1 585 . 1 1 128 128 ASP N N 15 120.679 0.004 . 1 . . . . 128 D N . 18204 1 586 . 1 1 129 129 ARG H H 1 7.886 0.007 . 1 . . . . 129 R H . 18204 1 587 . 1 1 129 129 ARG C C 13 172.762 0.000 . 1 . . . . 129 R C . 18204 1 588 . 1 1 129 129 ARG CA C 13 53.668 0.000 . 1 . . . . 129 R CA . 18204 1 589 . 1 1 129 129 ARG CB C 13 29.321 0.000 . 1 . . . . 129 R CB . 18204 1 590 . 1 1 129 129 ARG N N 15 116.508 0.004 . 1 . . . . 129 R N . 18204 1 591 . 1 1 130 130 PRO C C 13 176.136 0.002 . 1 . . . . 130 P C . 18204 1 592 . 1 1 130 130 PRO CA C 13 63.058 0.007 . 1 . . . . 130 P CA . 18204 1 593 . 1 1 130 130 PRO CB C 13 31.427 0.014 . 1 . . . . 130 P CB . 18204 1 594 . 1 1 131 131 LEU H H 1 9.552 0.007 . 1 . . . . 131 L H . 18204 1 595 . 1 1 131 131 LEU C C 13 177.418 0.007 . 1 . . . . 131 L C . 18204 1 596 . 1 1 131 131 LEU CA C 13 53.956 0.009 . 1 . . . . 131 L CA . 18204 1 597 . 1 1 131 131 LEU CB C 13 44.322 0.007 . 1 . . . . 131 L CB . 18204 1 598 . 1 1 131 131 LEU N N 15 124.646 0.007 . 1 . . . . 131 L N . 18204 1 599 . 1 1 132 132 LYS H H 1 8.596 0.007 . 1 . . . . 132 K H . 18204 1 600 . 1 1 132 132 LYS C C 13 175.313 0.005 . 1 . . . . 132 K C . 18204 1 601 . 1 1 132 132 LYS CA C 13 55.355 0.007 . 1 . . . . 132 K CA . 18204 1 602 . 1 1 132 132 LYS CB C 13 32.520 0.020 . 1 . . . . 132 K CB . 18204 1 603 . 1 1 132 132 LYS N N 15 125.846 0.004 . 1 . . . . 132 K N . 18204 1 604 . 1 1 133 133 CYS H H 1 8.763 0.008 . 1 . . . . 133 C H . 18204 1 605 . 1 1 133 133 CYS C C 13 176.202 0.011 . 1 . . . . 133 C C . 18204 1 606 . 1 1 133 133 CYS CA C 13 59.145 0.015 . 1 . . . . 133 C CA . 18204 1 607 . 1 1 133 133 CYS CB C 13 29.689 0.018 . 1 . . . . 133 C CB . 18204 1 608 . 1 1 133 133 CYS N N 15 125.055 0.004 . 1 . . . . 133 C N . 18204 1 609 . 1 1 134 134 ASP H H 1 8.260 0.006 . 1 . . . . 134 D H . 18204 1 610 . 1 1 134 134 ASP C C 13 175.664 0.010 . 1 . . . . 134 D C . 18204 1 611 . 1 1 134 134 ASP CA C 13 53.068 0.023 . 1 . . . . 134 D CA . 18204 1 612 . 1 1 134 134 ASP CB C 13 40.119 0.013 . 1 . . . . 134 D CB . 18204 1 613 . 1 1 134 134 ASP N N 15 121.912 0.009 . 1 . . . . 134 D N . 18204 1 614 . 1 1 135 135 GLU H H 1 8.855 0.007 . 1 . . . . 135 E H . 18204 1 615 . 1 1 135 135 GLU C C 13 172.771 0.000 . 1 . . . . 135 E C . 18204 1 616 . 1 1 135 135 GLU CA C 13 57.514 0.000 . 1 . . . . 135 E CA . 18204 1 617 . 1 1 135 135 GLU CB C 13 28.445 0.000 . 1 . . . . 135 E CB . 18204 1 618 . 1 1 135 135 GLU N N 15 125.994 0.005 . 1 . . . . 135 E N . 18204 1 619 . 1 1 136 136 PRO C C 13 174.224 0.003 . 1 . . . . 136 P C . 18204 1 620 . 1 1 136 136 PRO CA C 13 61.840 0.014 . 1 . . . . 136 P CA . 18204 1 621 . 1 1 136 136 PRO CB C 13 31.747 0.001 . 1 . . . . 136 P CB . 18204 1 622 . 1 1 137 137 ILE H H 1 7.967 0.007 . 1 . . . . 137 I H . 18204 1 623 . 1 1 137 137 ILE C C 13 177.607 0.022 . 1 . . . . 137 I C . 18204 1 624 . 1 1 137 137 ILE CA C 13 58.937 0.010 . 1 . . . . 137 I CA . 18204 1 625 . 1 1 137 137 ILE CB C 13 35.774 0.010 . 1 . . . . 137 I CB . 18204 1 626 . 1 1 137 137 ILE N N 15 118.795 0.006 . 1 . . . . 137 I N . 18204 1 627 . 1 1 138 138 LEU H H 1 9.501 0.007 . 1 . . . . 138 L H . 18204 1 628 . 1 1 138 138 LEU C C 13 177.834 0.010 . 1 . . . . 138 L C . 18204 1 629 . 1 1 138 138 LEU CA C 13 53.575 0.023 . 1 . . . . 138 L CA . 18204 1 630 . 1 1 138 138 LEU CB C 13 41.767 0.024 . 1 . . . . 138 L CB . 18204 1 631 . 1 1 138 138 LEU N N 15 129.672 0.008 . 1 . . . . 138 L N . 18204 1 632 . 1 1 139 139 SER H H 1 8.882 0.007 . 1 . . . . 139 S H . 18204 1 633 . 1 1 139 139 SER C C 13 174.244 0.014 . 1 . . . . 139 S C . 18204 1 634 . 1 1 139 139 SER CA C 13 57.014 0.016 . 1 . . . . 139 S CA . 18204 1 635 . 1 1 139 139 SER CB C 13 65.126 0.006 . 1 . . . . 139 S CB . 18204 1 636 . 1 1 139 139 SER N N 15 122.476 0.007 . 1 . . . . 139 S N . 18204 1 637 . 1 1 140 140 ASN H H 1 8.623 0.007 . 1 . . . . 140 N H . 18204 1 638 . 1 1 140 140 ASN C C 13 174.308 0.000 . 1 . . . . 140 N C . 18204 1 639 . 1 1 140 140 ASN CA C 13 50.941 0.011 . 1 . . . . 140 N CA . 18204 1 640 . 1 1 140 140 ASN CB C 13 37.616 0.019 . 1 . . . . 140 N CB . 18204 1 641 . 1 1 140 140 ASN N N 15 116.142 0.002 . 1 . . . . 140 N N . 18204 1 642 . 1 1 141 141 ARG H H 1 8.018 0.007 . 1 . . . . 141 R H . 18204 1 643 . 1 1 141 141 ARG C C 13 174.310 0.008 . 1 . . . . 141 R C . 18204 1 644 . 1 1 141 141 ARG CA C 13 54.624 0.012 . 1 . . . . 141 R CA . 18204 1 645 . 1 1 141 141 ARG CB C 13 30.336 0.008 . 1 . . . . 141 R CB . 18204 1 646 . 1 1 141 141 ARG N N 15 114.378 0.002 . 1 . . . . 141 R N . 18204 1 647 . 1 1 142 142 SER H H 1 6.982 0.007 . 1 . . . . 142 S H . 18204 1 648 . 1 1 142 142 SER C C 13 175.121 0.006 . 1 . . . . 142 S C . 18204 1 649 . 1 1 142 142 SER CA C 13 56.636 0.007 . 1 . . . . 142 S CA . 18204 1 650 . 1 1 142 142 SER CB C 13 65.105 0.004 . 1 . . . . 142 S CB . 18204 1 651 . 1 1 142 142 SER N N 15 109.898 0.004 . 1 . . . . 142 S N . 18204 1 652 . 1 1 143 143 GLY H H 1 8.947 0.007 . 1 . . . . 143 G H . 18204 1 653 . 1 1 143 143 GLY C C 13 174.140 0.010 . 1 . . . . 143 G C . 18204 1 654 . 1 1 143 143 GLY CA C 13 44.797 0.029 . 1 . . . . 143 G CA . 18204 1 655 . 1 1 143 143 GLY N N 15 114.859 0.005 . 1 . . . . 143 G N . 18204 1 656 . 1 1 144 144 ASP H H 1 8.272 0.007 . 1 . . . . 144 D H . 18204 1 657 . 1 1 144 144 ASP C C 13 176.329 0.011 . 1 . . . . 144 D C . 18204 1 658 . 1 1 144 144 ASP CA C 13 55.627 0.010 . 1 . . . . 144 D CA . 18204 1 659 . 1 1 144 144 ASP CB C 13 40.419 0.036 . 1 . . . . 144 D CB . 18204 1 660 . 1 1 144 144 ASP N N 15 121.991 0.009 . 1 . . . . 144 D N . 18204 1 661 . 1 1 145 145 HIS H H 1 8.719 0.009 . 1 . . . . 145 H H . 18204 1 662 . 1 1 145 145 HIS C C 13 174.939 0.008 . 1 . . . . 145 H C . 18204 1 663 . 1 1 145 145 HIS CA C 13 57.001 0.021 . 1 . . . . 145 H CA . 18204 1 664 . 1 1 145 145 HIS CB C 13 27.008 0.018 . 1 . . . . 145 H CB . 18204 1 665 . 1 1 145 145 HIS N N 15 112.280 0.003 . 1 . . . . 145 H N . 18204 1 666 . 1 1 146 146 ARG H H 1 7.162 0.007 . 1 . . . . 146 R H . 18204 1 667 . 1 1 146 146 ARG C C 13 178.867 0.010 . 1 . . . . 146 R C . 18204 1 668 . 1 1 146 146 ARG CA C 13 56.446 0.028 . 1 . . . . 146 R CA . 18204 1 669 . 1 1 146 146 ARG CB C 13 30.524 0.034 . 1 . . . . 146 R CB . 18204 1 670 . 1 1 146 146 ARG N N 15 117.790 0.004 . 1 . . . . 146 R N . 18204 1 671 . 1 1 147 147 GLY H H 1 8.312 0.007 . 1 . . . . 147 G H . 18204 1 672 . 1 1 147 147 GLY C C 13 173.725 0.013 . 1 . . . . 147 G C . 18204 1 673 . 1 1 147 147 GLY CA C 13 44.310 0.016 . 1 . . . . 147 G CA . 18204 1 674 . 1 1 147 147 GLY N N 15 107.292 0.009 . 1 . . . . 147 G N . 18204 1 675 . 1 1 148 148 LYS H H 1 8.183 0.006 . 1 . . . . 148 K H . 18204 1 676 . 1 1 148 148 LYS C C 13 175.818 0.013 . 1 . . . . 148 K C . 18204 1 677 . 1 1 148 148 LYS CA C 13 57.448 0.082 . 1 . . . . 148 K CA . 18204 1 678 . 1 1 148 148 LYS CB C 13 28.785 0.013 . 1 . . . . 148 K CB . 18204 1 679 . 1 1 148 148 LYS N N 15 114.469 0.005 . 1 . . . . 148 K N . 18204 1 680 . 1 1 149 149 PHE H H 1 9.820 0.006 . 1 . . . . 149 F H . 18204 1 681 . 1 1 149 149 PHE C C 13 174.324 0.006 . 1 . . . . 149 F C . 18204 1 682 . 1 1 149 149 PHE CA C 13 57.263 0.018 . 1 . . . . 149 F CA . 18204 1 683 . 1 1 149 149 PHE CB C 13 41.127 0.004 . 1 . . . . 149 F CB . 18204 1 684 . 1 1 149 149 PHE N N 15 123.281 0.005 . 1 . . . . 149 F N . 18204 1 685 . 1 1 150 150 LYS H H 1 7.327 0.007 . 1 . . . . 150 K H . 18204 1 686 . 1 1 150 150 LYS C C 13 176.440 0.004 . 1 . . . . 150 K C . 18204 1 687 . 1 1 150 150 LYS CA C 13 53.579 0.029 . 1 . . . . 150 K CA . 18204 1 688 . 1 1 150 150 LYS CB C 13 34.282 0.008 . 1 . . . . 150 K CB . 18204 1 689 . 1 1 150 150 LYS N N 15 123.946 0.005 . 1 . . . . 150 K N . 18204 1 690 . 1 1 151 151 VAL H H 1 10.160 0.007 . 1 . . . . 151 V H . 18204 1 691 . 1 1 151 151 VAL C C 13 175.503 0.006 . 1 . . . . 151 V C . 18204 1 692 . 1 1 151 151 VAL CA C 13 65.886 0.011 . 1 . . . . 151 V CA . 18204 1 693 . 1 1 151 151 VAL CB C 13 31.115 0.019 . 1 . . . . 151 V CB . 18204 1 694 . 1 1 151 151 VAL N N 15 131.678 0.006 . 1 . . . . 151 V N . 18204 1 695 . 1 1 152 152 ALA H H 1 9.759 0.007 . 1 . . . . 152 A H . 18204 1 696 . 1 1 152 152 ALA C C 13 180.275 0.008 . 1 . . . . 152 A C . 18204 1 697 . 1 1 152 152 ALA CA C 13 54.954 0.018 . 1 . . . . 152 A CA . 18204 1 698 . 1 1 152 152 ALA CB C 13 18.393 0.010 . 1 . . . . 152 A CB . 18204 1 699 . 1 1 152 152 ALA N N 15 124.108 0.005 . 1 . . . . 152 A N . 18204 1 700 . 1 1 153 153 SER H H 1 6.775 0.007 . 1 . . . . 153 S H . 18204 1 701 . 1 1 153 153 SER C C 13 176.362 0.174 . 1 . . . . 153 S C . 18204 1 702 . 1 1 153 153 SER CA C 13 61.044 0.054 . 1 . . . . 153 S CA . 18204 1 703 . 1 1 153 153 SER CB C 13 62.426 0.119 . 1 . . . . 153 S CB . 18204 1 704 . 1 1 153 153 SER N N 15 110.754 0.007 . 1 . . . . 153 S N . 18204 1 705 . 1 1 154 154 PHE H H 1 8.136 0.008 . 1 . . . . 154 F H . 18204 1 706 . 1 1 154 154 PHE C C 13 176.123 0.000 . 1 . . . . 154 F C . 18204 1 707 . 1 1 154 154 PHE CA C 13 61.867 0.011 . 1 . . . . 154 F CA . 18204 1 708 . 1 1 154 154 PHE CB C 13 39.448 0.030 . 1 . . . . 154 F CB . 18204 1 709 . 1 1 154 154 PHE N N 15 125.926 0.014 . 1 . . . . 154 F N . 18204 1 710 . 1 1 155 155 ARG H H 1 9.052 0.007 . 1 . . . . 155 R H . 18204 1 711 . 1 1 155 155 ARG C C 13 178.338 0.007 . 1 . . . . 155 R C . 18204 1 712 . 1 1 155 155 ARG CA C 13 58.521 0.009 . 1 . . . . 155 R CA . 18204 1 713 . 1 1 155 155 ARG CB C 13 26.844 0.009 . 1 . . . . 155 R CB . 18204 1 714 . 1 1 155 155 ARG N N 15 117.918 0.003 . 1 . . . . 155 R N . 18204 1 715 . 1 1 156 156 LYS H H 1 7.547 0.006 . 1 . . . . 156 K H . 18204 1 716 . 1 1 156 156 LYS C C 13 180.372 0.012 . 1 . . . . 156 K C . 18204 1 717 . 1 1 156 156 LYS CA C 13 60.286 0.005 . 1 . . . . 156 K CA . 18204 1 718 . 1 1 156 156 LYS CB C 13 32.433 0.025 . 1 . . . . 156 K CB . 18204 1 719 . 1 1 156 156 LYS N N 15 120.469 0.005 . 1 . . . . 156 K N . 18204 1 720 . 1 1 157 157 LYS H H 1 7.993 0.007 . 1 . . . . 157 K H . 18204 1 721 . 1 1 157 157 LYS C C 13 177.574 0.005 . 1 . . . . 157 K C . 18204 1 722 . 1 1 157 157 LYS CA C 13 59.197 0.023 . 1 . . . . 157 K CA . 18204 1 723 . 1 1 157 157 LYS CB C 13 31.545 0.010 . 1 . . . . 157 K CB . 18204 1 724 . 1 1 157 157 LYS N N 15 125.875 0.006 . 1 . . . . 157 K N . 18204 1 725 . 1 1 158 158 TYR H H 1 6.493 0.006 . 1 . . . . 158 Y H . 18204 1 726 . 1 1 158 158 TYR C C 13 172.676 0.010 . 1 . . . . 158 Y C . 18204 1 727 . 1 1 158 158 TYR CA C 13 59.204 0.019 . 1 . . . . 158 Y CA . 18204 1 728 . 1 1 158 158 TYR CB C 13 37.631 0.019 . 1 . . . . 158 Y CB . 18204 1 729 . 1 1 158 158 TYR N N 15 114.617 0.002 . 1 . . . . 158 Y N . 18204 1 730 . 1 1 159 159 GLU H H 1 7.721 0.007 . 1 . . . . 159 E H . 18204 1 731 . 1 1 159 159 GLU C C 13 175.243 0.006 . 1 . . . . 159 E C . 18204 1 732 . 1 1 159 159 GLU CA C 13 57.194 0.006 . 1 . . . . 159 E CA . 18204 1 733 . 1 1 159 159 GLU CB C 13 26.515 0.022 . 1 . . . . 159 E CB . 18204 1 734 . 1 1 159 159 GLU N N 15 113.044 0.003 . 1 . . . . 159 E N . 18204 1 735 . 1 1 160 160 LEU H H 1 8.424 0.007 . 1 . . . . 160 L H . 18204 1 736 . 1 1 160 160 LEU C C 13 178.364 0.012 . 1 . . . . 160 L C . 18204 1 737 . 1 1 160 160 LEU CA C 13 53.755 0.015 . 1 . . . . 160 L CA . 18204 1 738 . 1 1 160 160 LEU CB C 13 40.996 0.021 . 1 . . . . 160 L CB . 18204 1 739 . 1 1 160 160 LEU N N 15 118.409 0.008 . 1 . . . . 160 L N . 18204 1 740 . 1 1 161 161 ARG H H 1 9.138 0.007 . 1 . . . . 161 R H . 18204 1 741 . 1 1 161 161 ARG C C 13 173.091 0.010 . 1 . . . . 161 R C . 18204 1 742 . 1 1 161 161 ARG CA C 13 55.607 0.007 . 1 . . . . 161 R CA . 18204 1 743 . 1 1 161 161 ARG CB C 13 31.148 0.022 . 1 . . . . 161 R CB . 18204 1 744 . 1 1 161 161 ARG N N 15 124.015 0.005 . 1 . . . . 161 R N . 18204 1 745 . 1 1 162 162 ALA H H 1 7.614 0.007 . 1 . . . . 162 A H . 18204 1 746 . 1 1 162 162 ALA C C 13 175.051 0.000 . 1 . . . . 162 A C . 18204 1 747 . 1 1 162 162 ALA CA C 13 51.516 0.000 . 1 . . . . 162 A CA . 18204 1 748 . 1 1 162 162 ALA CB C 13 16.857 0.000 . 1 . . . . 162 A CB . 18204 1 749 . 1 1 162 162 ALA N N 15 117.652 0.003 . 1 . . . . 162 A N . 18204 1 750 . 1 1 163 163 PRO C C 13 177.524 0.007 . 1 . . . . 163 P C . 18204 1 751 . 1 1 163 163 PRO CA C 13 64.276 0.016 . 1 . . . . 163 P CA . 18204 1 752 . 1 1 163 163 PRO CB C 13 30.935 0.008 . 1 . . . . 163 P CB . 18204 1 753 . 1 1 164 164 VAL H H 1 8.479 0.007 . 1 . . . . 164 V H . 18204 1 754 . 1 1 164 164 VAL C C 13 174.864 0.008 . 1 . . . . 164 V C . 18204 1 755 . 1 1 164 164 VAL CA C 13 62.651 0.013 . 1 . . . . 164 V CA . 18204 1 756 . 1 1 164 164 VAL CB C 13 32.282 0.016 . 1 . . . . 164 V CB . 18204 1 757 . 1 1 164 164 VAL N N 15 121.192 0.004 . 1 . . . . 164 V N . 18204 1 758 . 1 1 165 165 ALA H H 1 7.396 0.006 . 1 . . . . 165 A H . 18204 1 759 . 1 1 165 165 ALA C C 13 175.591 0.004 . 1 . . . . 165 A C . 18204 1 760 . 1 1 165 165 ALA CA C 13 50.020 0.011 . 1 . . . . 165 A CA . 18204 1 761 . 1 1 165 165 ALA CB C 13 21.796 0.006 . 1 . . . . 165 A CB . 18204 1 762 . 1 1 165 165 ALA N N 15 119.319 0.004 . 1 . . . . 165 A N . 18204 1 763 . 1 1 166 166 GLY H H 1 7.342 0.006 . 1 . . . . 166 G H . 18204 1 764 . 1 1 166 166 GLY CA C 13 46.951 0.005 . 1 . . . . 166 G CA . 18204 1 765 . 1 1 166 166 GLY N N 15 103.888 0.008 . 1 . . . . 166 G N . 18204 1 766 . 1 1 167 167 THR H H 1 9.690 0.007 . 1 . . . . 167 T H . 18204 1 767 . 1 1 167 167 THR C C 13 171.478 0.004 . 1 . . . . 167 T C . 18204 1 768 . 1 1 167 167 THR CA C 13 60.550 0.025 . 1 . . . . 167 T CA . 18204 1 769 . 1 1 167 167 THR CB C 13 68.015 0.008 . 1 . . . . 167 T CB . 18204 1 770 . 1 1 167 167 THR N N 15 112.310 0.007 . 1 . . . . 167 T N . 18204 1 771 . 1 1 168 168 CYS H H 1 8.822 0.006 . 1 . . . . 168 C H . 18204 1 772 . 1 1 168 168 CYS C C 13 173.792 0.004 . 1 . . . . 168 C C . 18204 1 773 . 1 1 168 168 CYS CA C 13 56.218 0.010 . 1 . . . . 168 C CA . 18204 1 774 . 1 1 168 168 CYS CB C 13 31.004 0.004 . 1 . . . . 168 C CB . 18204 1 775 . 1 1 168 168 CYS N N 15 121.405 0.004 . 1 . . . . 168 C N . 18204 1 776 . 1 1 169 169 TYR H H 1 9.306 0.006 . 1 . . . . 169 Y H . 18204 1 777 . 1 1 169 169 TYR C C 13 172.184 0.005 . 1 . . . . 169 Y C . 18204 1 778 . 1 1 169 169 TYR CA C 13 55.907 0.038 . 1 . . . . 169 Y CA . 18204 1 779 . 1 1 169 169 TYR CB C 13 41.774 0.023 . 1 . . . . 169 Y CB . 18204 1 780 . 1 1 169 169 TYR N N 15 127.562 0.008 . 1 . . . . 169 Y N . 18204 1 781 . 1 1 170 170 GLN H H 1 9.321 0.007 . 1 . . . . 170 Q H . 18204 1 782 . 1 1 170 170 GLN C C 13 174.552 0.009 . 1 . . . . 170 Q C . 18204 1 783 . 1 1 170 170 GLN CA C 13 53.607 0.017 . 1 . . . . 170 Q CA . 18204 1 784 . 1 1 170 170 GLN CB C 13 36.607 0.016 . 1 . . . . 170 Q CB . 18204 1 785 . 1 1 170 170 GLN N N 15 119.751 0.004 . 1 . . . . 170 Q N . 18204 1 786 . 1 1 171 171 ALA H H 1 8.481 0.007 . 1 . . . . 171 A H . 18204 1 787 . 1 1 171 171 ALA C C 13 175.387 0.004 . 1 . . . . 171 A C . 18204 1 788 . 1 1 171 171 ALA CA C 13 52.624 0.029 . 1 . . . . 171 A CA . 18204 1 789 . 1 1 171 171 ALA CB C 13 22.435 0.014 . 1 . . . . 171 A CB . 18204 1 790 . 1 1 171 171 ALA N N 15 117.989 0.003 . 1 . . . . 171 A N . 18204 1 791 . 1 1 172 172 GLU H H 1 9.002 0.007 . 1 . . . . 172 E H . 18204 1 792 . 1 1 172 172 GLU C C 13 174.238 0.006 . 1 . . . . 172 E C . 18204 1 793 . 1 1 172 172 GLU CA C 13 53.391 0.011 . 1 . . . . 172 E CA . 18204 1 794 . 1 1 172 172 GLU CB C 13 33.882 0.005 . 1 . . . . 172 E CB . 18204 1 795 . 1 1 172 172 GLU N N 15 119.940 0.005 . 1 . . . . 172 E N . 18204 1 796 . 1 1 173 173 TRP H H 1 8.256 0.007 . 1 . . . . 173 W H . 18204 1 797 . 1 1 173 173 TRP C C 13 176.662 0.003 . 1 . . . . 173 W C . 18204 1 798 . 1 1 173 173 TRP CA C 13 61.795 0.014 . 1 . . . . 173 W CA . 18204 1 799 . 1 1 173 173 TRP CB C 13 30.279 0.015 . 1 . . . . 173 W CB . 18204 1 800 . 1 1 173 173 TRP N N 15 118.252 0.006 . 1 . . . . 173 W N . 18204 1 801 . 1 1 174 174 ASP H H 1 6.421 0.007 . 1 . . . . 174 D H . 18204 1 802 . 1 1 174 174 ASP C C 13 174.134 0.005 . 1 . . . . 174 D C . 18204 1 803 . 1 1 174 174 ASP CA C 13 52.906 0.008 . 1 . . . . 174 D CA . 18204 1 804 . 1 1 174 174 ASP CB C 13 42.095 0.010 . 1 . . . . 174 D CB . 18204 1 805 . 1 1 174 174 ASP N N 15 124.291 0.008 . 1 . . . . 174 D N . 18204 1 806 . 1 1 175 175 ASP H H 1 7.392 0.007 . 1 . . . . 175 D H . 18204 1 807 . 1 1 175 175 ASP C C 13 177.246 0.008 . 1 . . . . 175 D C . 18204 1 808 . 1 1 175 175 ASP CA C 13 55.743 0.028 . 1 . . . . 175 D CA . 18204 1 809 . 1 1 175 175 ASP CB C 13 40.050 0.032 . 1 . . . . 175 D CB . 18204 1 810 . 1 1 175 175 ASP N N 15 110.716 0.006 . 1 . . . . 175 D N . 18204 1 811 . 1 1 176 176 TYR H H 1 8.287 0.007 . 1 . . . . 176 Y H . 18204 1 812 . 1 1 176 176 TYR C C 13 176.782 0.008 . 1 . . . . 176 Y C . 18204 1 813 . 1 1 176 176 TYR CA C 13 59.505 0.009 . 1 . . . . 176 Y CA . 18204 1 814 . 1 1 176 176 TYR CB C 13 39.157 0.019 . 1 . . . . 176 Y CB . 18204 1 815 . 1 1 176 176 TYR N N 15 121.767 0.006 . 1 . . . . 176 Y N . 18204 1 816 . 1 1 177 177 VAL H H 1 7.361 0.006 . 1 . . . . 177 V H . 18204 1 817 . 1 1 177 177 VAL C C 13 174.095 0.000 . 1 . . . . 177 V C . 18204 1 818 . 1 1 177 177 VAL CA C 13 68.778 0.000 . 1 . . . . 177 V CA . 18204 1 819 . 1 1 177 177 VAL CB C 13 28.234 0.000 . 1 . . . . 177 V CB . 18204 1 820 . 1 1 177 177 VAL N N 15 118.947 0.005 . 1 . . . . 177 V N . 18204 1 821 . 1 1 178 178 PRO C C 13 179.696 0.000 . 1 . . . . 178 P C . 18204 1 822 . 1 1 178 178 PRO CA C 13 66.309 0.012 . 1 . . . . 178 P CA . 18204 1 823 . 1 1 178 178 PRO CB C 13 31.602 0.036 . 1 . . . . 178 P CB . 18204 1 824 . 1 1 179 179 LYS H H 1 7.129 0.007 . 1 . . . . 179 K H . 18204 1 825 . 1 1 179 179 LYS C C 13 179.660 0.005 . 1 . . . . 179 K C . 18204 1 826 . 1 1 179 179 LYS CA C 13 57.886 0.010 . 1 . . . . 179 K CA . 18204 1 827 . 1 1 179 179 LYS CB C 13 30.585 0.005 . 1 . . . . 179 K CB . 18204 1 828 . 1 1 179 179 LYS N N 15 116.354 0.002 . 1 . . . . 179 K N . 18204 1 829 . 1 1 180 180 LEU H H 1 7.294 0.007 . 1 . . . . 180 L H . 18204 1 830 . 1 1 180 180 LEU C C 13 179.029 0.005 . 1 . . . . 180 L C . 18204 1 831 . 1 1 180 180 LEU CA C 13 57.380 0.039 . 1 . . . . 180 L CA . 18204 1 832 . 1 1 180 180 LEU CB C 13 41.106 0.002 . 1 . . . . 180 L CB . 18204 1 833 . 1 1 180 180 LEU N N 15 124.443 0.003 . 1 . . . . 180 L N . 18204 1 834 . 1 1 181 181 TYR H H 1 8.137 0.006 . 1 . . . . 181 Y H . 18204 1 835 . 1 1 181 181 TYR CA C 13 60.849 0.010 . 1 . . . . 181 Y CA . 18204 1 836 . 1 1 181 181 TYR CB C 13 36.471 0.027 . 1 . . . . 181 Y CB . 18204 1 837 . 1 1 181 181 TYR N N 15 117.042 0.012 . 1 . . . . 181 Y N . 18204 1 838 . 1 1 182 182 GLU H H 1 7.612 0.007 . 1 . . . . 182 E H . 18204 1 839 . 1 1 182 182 GLU C C 13 179.413 0.005 . 1 . . . . 182 E C . 18204 1 840 . 1 1 182 182 GLU CA C 13 59.691 0.009 . 1 . . . . 182 E CA . 18204 1 841 . 1 1 182 182 GLU CB C 13 29.304 0.015 . 1 . . . . 182 E CB . 18204 1 842 . 1 1 182 182 GLU N N 15 119.972 0.005 . 1 . . . . 182 E N . 18204 1 843 . 1 1 183 183 GLN H H 1 7.911 0.007 . 1 . . . . 183 Q H . 18204 1 844 . 1 1 183 183 GLN C C 13 178.566 0.009 . 1 . . . . 183 Q C . 18204 1 845 . 1 1 183 183 GLN CA C 13 59.009 0.018 . 1 . . . . 183 Q CA . 18204 1 846 . 1 1 183 183 GLN CB C 13 29.173 0.075 . 1 . . . . 183 Q CB . 18204 1 847 . 1 1 183 183 GLN N N 15 122.670 0.008 . 1 . . . . 183 Q N . 18204 1 848 . 1 1 184 184 LEU H H 1 7.897 0.007 . 1 . . . . 184 L H . 18204 1 849 . 1 1 184 184 LEU C C 13 176.504 0.003 . 1 . . . . 184 L C . 18204 1 850 . 1 1 184 184 LEU CA C 13 55.597 0.004 . 1 . . . . 184 L CA . 18204 1 851 . 1 1 184 184 LEU CB C 13 41.755 0.059 . 1 . . . . 184 L CB . 18204 1 852 . 1 1 184 184 LEU N N 15 116.760 0.011 . 1 . . . . 184 L N . 18204 1 853 . 1 1 185 185 SER H H 1 7.579 0.008 . 1 . . . . 185 S H . 18204 1 854 . 1 1 185 185 SER C C 13 175.155 0.006 . 1 . . . . 185 S C . 18204 1 855 . 1 1 185 185 SER CA C 13 58.812 0.012 . 1 . . . . 185 S CA . 18204 1 856 . 1 1 185 185 SER CB C 13 64.078 0.010 . 1 . . . . 185 S CB . 18204 1 857 . 1 1 185 185 SER N N 15 113.510 0.025 . 1 . . . . 185 S N . 18204 1 858 . 1 1 186 186 GLY H H 1 8.013 0.006 . 1 . . . . 186 G H . 18204 1 859 . 1 1 186 186 GLY C C 13 173.704 0.007 . 1 . . . . 186 G C . 18204 1 860 . 1 1 186 186 GLY CA C 13 46.062 0.009 . 1 . . . . 186 G CA . 18204 1 861 . 1 1 186 186 GLY N N 15 110.631 0.004 . 1 . . . . 186 G N . 18204 1 862 . 1 1 187 187 LYS H H 1 7.681 0.007 . 1 . . . . 187 K H . 18204 1 863 . 1 1 187 187 LYS CA C 13 57.377 0.000 . 1 . . . . 187 K CA . 18204 1 864 . 1 1 187 187 LYS CB C 13 33.685 0.000 . 1 . . . . 187 K CB . 18204 1 865 . 1 1 187 187 LYS N N 15 125.526 0.003 . 1 . . . . 187 K N . 18204 1 stop_ save_