data_4022 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4022 _Entry.Title ; Sequential NMR Assignment of 1H, 13C, and 15N Resonances of Human Carbonic Anhydrase I (HCAI) by Triple-Resonance NMR Techniques and Extensive Amino Acid Specific 15N Labeling ; _Entry.Type macromolecule _Entry.Version_type update _Entry.Submission_date 1996-10-20 _Entry.Accession_date 1997-04-25 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Ingmar Sethson . . . 4022 2 Ulf Edlund . . . 4022 3 Tadeusz Holak . A. . 4022 4 Alfred Ross . . . 4022 5 Bengt-Harald Jonsson . . . 4022 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 4022 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 743 4022 '15N chemical shifts' 243 4022 '1H chemical shifts' 861 4022 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 1999-10-15 . reformat BMRB 'Format updated to NMR-STAR version 2.1' 4022 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4022 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 97161090 _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation ; Sethson, I., Edlund, U., Holak, T.A., Ross, A., and Johnson, B-H., "Sequential Assignment of 1H, 13C and 15N Resonances of Human Carbonic Anhydrase I by Triple-resonance NMR Techniques and Extensive Amino Acid-Specific 15N-Labeling," J. Biomol. NMR 8, 417-428 (1996). ; _Citation.Title ; Sequential Assignment of 1H, 13C and 15N Resonances of Human Carbonic Anhydrase I by Triple-Resonance NMR Techniques and Extensive Amino Acid-Specific 15N-Labeling ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full 'Journal of Biomolecular NMR' _Citation.Journal_volume 8 _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 417 _Citation.Page_last 428 _Citation.Year 1996 _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 Ingmar Sethson . . . 4022 1 2 Ulf Edlund . . . 4022 1 3 Tadeusz Holak . A. . 4022 1 4 Alfred Ross . . . 4022 1 5 Bengt-Harald Jonsson . . . 4022 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_HCA_I _Assembly.Sf_category assembly _Assembly.Sf_framecode system_HCA_I _Assembly.Entry_ID 4022 _Assembly.ID 1 _Assembly.Name 'human carbonic anhydrase I' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'fully reduced' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 4022 1 stop_ loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'HCA I' 1 $HCA_I . . . native . . . . . 4022 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'HCA I' abbreviation 4022 1 'human carbonic anhydrase I' system 4022 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_HCA_I _Entity.Sf_category entity _Entity.Sf_framecode HCA_I _Entity.Entry_ID 4022 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'human carbonic anhydrase I' _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 ; ASPDWGYDDKNGPEQWSKLY PIANGNNQSPVDIKTSETKH DTSLKPISVSYNPATAKEII NVGHSFHVNFEDNDNRSVLK GGPFSDSYRLFQFHFHWGST NEHGSEHTVDGVKYSAELHV AHWNSAKYSSLAEAASKADG LAVIGVLMKVGEANPKLQKV LDALQAIKTKGKRAPFTNFD PSTLLPSSLDFWTYPGSLTH PPLYESVTWIICKESISVSS EQLAQFRSLLSNVEGDNAVP MQHNNRPTQPLKGRTVRASF ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 260 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number 4.2.1.1 _Entity.Calc_isoelectric_point . _Entity.Formula_weight 29500 _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 PDB 1AZM . "Drug-Protein Interactions: Structure Of Sulfonamide Drug Complexed With Human Carbonic Anhydrase I" . . . . . 100.00 260 100.00 100.00 0.00e+00 . . . . 4022 1 2 no PDB 1BZM . "Drug-Protein Interactions: Structure Of Sulfonamide Drug Complexed With Human Carbonic Anhydrase I" . . . . . 100.00 260 100.00 100.00 0.00e+00 . . . . 4022 1 3 no PDB 1CRM . "Structure And Function Of Carbonic Anhydrases" . . . . . 100.00 260 99.23 99.62 0.00e+00 . . . . 4022 1 4 no PDB 1CZM . "Drug-Protein Interactions: Structure Of Sulfonamide Drug Complexed With Human Carbonic Anhydrase I" . . . . . 100.00 260 100.00 100.00 0.00e+00 . . . . 4022 1 5 no PDB 1HCB . "Enzyme-Substrate Interactions: Structure Of Human Carbonic Anhydrase I Complexed With Bicarbonate" . . . . . 100.00 260 100.00 100.00 0.00e+00 . . . . 4022 1 6 no PDB 1HUG . "Differences In Anionic Inhibition Of Human Carbonic Anhydrase I Revealed From The Structures Of Iodide And Gold Cyanide Inhibit" . . . . . 100.00 260 100.00 100.00 0.00e+00 . . . . 4022 1 7 no PDB 1HUH . "Differences In Anionic Inhibition Of Human Carbonic Anhydrase I Revealed From The Structures Of Iodide And Gold Cyanide Inhibit" . . . . . 100.00 260 100.00 100.00 0.00e+00 . . . . 4022 1 8 no PDB 1J9W . "Solution Structure Of The Cai Michigan 1 Variant" . . . . . 100.00 260 99.62 99.62 0.00e+00 . . . . 4022 1 9 no PDB 1JV0 . "The Crystal Structure Of The Zinc(Ii) Adduct Of The Cai Michigan 1 Variant" . . . . . 100.00 260 99.62 99.62 0.00e+00 . . . . 4022 1 10 no PDB 2CAB . "Structure, Refinement And Function Of Carbonic Anhydrase Isozymes. Refinement Of Human Carbonic Anhydrase I" . . . . . 100.00 260 99.23 99.62 0.00e+00 . . . . 4022 1 11 no PDB 2FOY . "Human Carbonic Anhydrase I Complexed With A Two-Prong Inhibitor" . . . . . 100.00 260 100.00 100.00 0.00e+00 . . . . 4022 1 12 no PDB 2FW4 . "Carbonic Anhydrase Activators. The First X-ray Crystallographic Study Of An Activator Of Isoform I, Structure With L-histidine." . . . . . 100.00 260 100.00 100.00 0.00e+00 . . . . 4022 1 13 no PDB 2IT4 . "X Ray Structure Of The Complex Between Carbonic Anhydrase I And The Phosphonate Antiviral Drug Foscarnet" . . . . . 98.46 256 100.00 100.00 0.00e+00 . . . . 4022 1 14 no PDB 2NMX . "Structure Of Inhibitor Binding To Carbonic Anhydrase I" . . . . . 100.00 260 100.00 100.00 0.00e+00 . . . . 4022 1 15 no PDB 2NN1 . "Structure Of Inhibitor Binding To Carbonic Anhydrase I" . . . . . 100.00 260 100.00 100.00 0.00e+00 . . . . 4022 1 16 no PDB 2NN7 . "Structure Of Inhibitor Binding To Carbonic Anhydrase I" . . . . . 100.00 260 100.00 100.00 0.00e+00 . . . . 4022 1 17 no PDB 3LXE . "Human Carbonic Anhydrase I In Complex With Topiramate" . . . . . 100.00 260 100.00 100.00 0.00e+00 . . . . 4022 1 18 no PDB 3W6H . "Crystal Structure Of 19f Probe-labeled Hcai In Complex With Acetazolamide" . . . . . 100.00 260 100.00 100.00 0.00e+00 . . . . 4022 1 19 no PDB 3W6I . "Crystal Structure Of 19f Probe-labeled Hcai" . . . . . 100.00 260 100.00 100.00 0.00e+00 . . . . 4022 1 20 no PDB 4WR7 . "Crystal Structure Of Human Carbonic Anhydrase Isozyme I With 2,3,5,6- Tetrafluoro-4-(propylthio)benzenesulfonamide." . . . . . 99.62 260 100.00 100.00 0.00e+00 . . . . 4022 1 21 no PDB 4WUP . "Crystal Structure Of Human Carbonic Anhydrase Isozyme I With 4-[(2- Hydroxyethyl)thio]benzenesulfonamide" . . . . . 99.62 260 100.00 100.00 0.00e+00 . . . . 4022 1 22 no PDB 4WUQ . "Crystal Structure Of Human Carbonic Anhydrase Isozyme I With 2,3,5,6- Tetrafluoro-4-piperidin-1-ylbenzenesulfonamide" . . . . . 99.62 260 100.00 100.00 0.00e+00 . . . . 4022 1 23 no EMBL CAA28663 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 261 100.00 100.00 0.00e+00 . . . . 4022 1 24 no GB AAA51910 . "carbonic anhydrase I (EC 4.2.1.1) [Homo sapiens]" . . . . . 100.00 261 100.00 100.00 0.00e+00 . . . . 4022 1 25 no GB AAH27890 . "CA1 protein [Homo sapiens]" . . . . . 100.00 261 100.00 100.00 0.00e+00 . . . . 4022 1 26 no GB ABM81856 . "carbonic anhydrase I [synthetic construct]" . . . . . 100.00 261 100.00 100.00 0.00e+00 . . . . 4022 1 27 no GB ABM85017 . "carbonic anhydrase I [synthetic construct]" . . . . . 100.00 261 100.00 100.00 0.00e+00 . . . . 4022 1 28 no GB ACJ13649 . "epididymis secretory protein Li 11 [Homo sapiens]" . . . . . 100.00 261 100.00 100.00 0.00e+00 . . . . 4022 1 29 no REF NP_001122301 . "carbonic anhydrase 1 isoform a [Homo sapiens]" . . . . . 100.00 261 100.00 100.00 0.00e+00 . . . . 4022 1 30 no REF NP_001122302 . "carbonic anhydrase 1 isoform a [Homo sapiens]" . . . . . 100.00 261 100.00 100.00 0.00e+00 . . . . 4022 1 31 no REF NP_001122303 . "carbonic anhydrase 1 isoform a [Homo sapiens]" . . . . . 100.00 261 100.00 100.00 0.00e+00 . . . . 4022 1 32 no REF NP_001158302 . "carbonic anhydrase 1 isoform a [Homo sapiens]" . . . . . 100.00 261 100.00 100.00 0.00e+00 . . . . 4022 1 33 no REF NP_001182062 . "carbonic anhydrase 1 [Pan troglodytes]" . . . . . 100.00 261 99.23 100.00 0.00e+00 . . . . 4022 1 34 no SP P00915 . "RecName: Full=Carbonic anhydrase 1; AltName: Full=Carbonate dehydratase I; AltName: Full=Carbonic anhydrase B; Short=CAB; AltNa" . . . . . 100.00 261 100.00 100.00 0.00e+00 . . . . 4022 1 35 no SP Q7M316 . "RecName: Full=Carbonic anhydrase 1; AltName: Full=Carbonate dehydratase I; AltName: Full=Carbonic anhydrase I; Short=CA-I" . . . . . 100.00 261 98.08 98.85 0.00e+00 . . . . 4022 1 36 no SP Q7M317 . "RecName: Full=Carbonic anhydrase 1; AltName: Full=Carbonate dehydratase I; AltName: Full=Carbonic anhydrase I; Short=CA-I" . . . . . 100.00 261 99.23 100.00 0.00e+00 . . . . 4022 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'HCA I' abbreviation 4022 1 'human carbonic anhydrase B' variant 4022 1 'human carbonic anhydrase I' common 4022 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . ALA . 4022 1 2 . SER . 4022 1 3 . PRO . 4022 1 4 . ASP . 4022 1 5 . TRP . 4022 1 6 . GLY . 4022 1 7 . TYR . 4022 1 8 . ASP . 4022 1 9 . ASP . 4022 1 10 . LYS . 4022 1 11 . ASN . 4022 1 12 . GLY . 4022 1 13 . PRO . 4022 1 14 . GLU . 4022 1 15 . GLN . 4022 1 16 . TRP . 4022 1 17 . SER . 4022 1 18 . LYS . 4022 1 19 . LEU . 4022 1 20 . TYR . 4022 1 21 . PRO . 4022 1 22 . ILE . 4022 1 23 . ALA . 4022 1 24 . ASN . 4022 1 25 . GLY . 4022 1 26 . ASN . 4022 1 27 . ASN . 4022 1 28 . GLN . 4022 1 29 . SER . 4022 1 30 . PRO . 4022 1 31 . VAL . 4022 1 32 . ASP . 4022 1 33 . ILE . 4022 1 34 . LYS . 4022 1 35 . THR . 4022 1 36 . SER . 4022 1 37 . GLU . 4022 1 38 . THR . 4022 1 39 . LYS . 4022 1 40 . HIS . 4022 1 41 . ASP . 4022 1 42 . THR . 4022 1 43 . SER . 4022 1 44 . LEU . 4022 1 45 . LYS . 4022 1 46 . PRO . 4022 1 47 . ILE . 4022 1 48 . SER . 4022 1 49 . VAL . 4022 1 50 . SER . 4022 1 51 . TYR . 4022 1 52 . ASN . 4022 1 53 . PRO . 4022 1 54 . ALA . 4022 1 55 . THR . 4022 1 56 . ALA . 4022 1 57 . LYS . 4022 1 58 . GLU . 4022 1 59 . ILE . 4022 1 60 . ILE . 4022 1 61 . ASN . 4022 1 62 . VAL . 4022 1 63 . GLY . 4022 1 64 . HIS . 4022 1 65 . SER . 4022 1 66 . PHE . 4022 1 67 . HIS . 4022 1 68 . VAL . 4022 1 69 . ASN . 4022 1 70 . PHE . 4022 1 71 . GLU . 4022 1 72 . ASP . 4022 1 73 . ASN . 4022 1 74 . ASP . 4022 1 75 . ASN . 4022 1 76 . ARG . 4022 1 77 . SER . 4022 1 78 . VAL . 4022 1 79 . LEU . 4022 1 80 . LYS . 4022 1 81 . GLY . 4022 1 82 . GLY . 4022 1 83 . PRO . 4022 1 84 . PHE . 4022 1 85 . SER . 4022 1 86 . ASP . 4022 1 87 . SER . 4022 1 88 . TYR . 4022 1 89 . ARG . 4022 1 90 . LEU . 4022 1 91 . PHE . 4022 1 92 . GLN . 4022 1 93 . PHE . 4022 1 94 . HIS . 4022 1 95 . PHE . 4022 1 96 . HIS . 4022 1 97 . TRP . 4022 1 98 . GLY . 4022 1 99 . SER . 4022 1 100 . THR . 4022 1 101 . ASN . 4022 1 102 . GLU . 4022 1 103 . HIS . 4022 1 104 . GLY . 4022 1 105 . SER . 4022 1 106 . GLU . 4022 1 107 . HIS . 4022 1 108 . THR . 4022 1 109 . VAL . 4022 1 110 . ASP . 4022 1 111 . GLY . 4022 1 112 . VAL . 4022 1 113 . LYS . 4022 1 114 . TYR . 4022 1 115 . SER . 4022 1 116 . ALA . 4022 1 117 . GLU . 4022 1 118 . LEU . 4022 1 119 . HIS . 4022 1 120 . VAL . 4022 1 121 . ALA . 4022 1 122 . HIS . 4022 1 123 . TRP . 4022 1 124 . ASN . 4022 1 125 . SER . 4022 1 126 . ALA . 4022 1 127 . LYS . 4022 1 128 . TYR . 4022 1 129 . SER . 4022 1 130 . SER . 4022 1 131 . LEU . 4022 1 132 . ALA . 4022 1 133 . GLU . 4022 1 134 . ALA . 4022 1 135 . ALA . 4022 1 136 . SER . 4022 1 137 . LYS . 4022 1 138 . ALA . 4022 1 139 . ASP . 4022 1 140 . GLY . 4022 1 141 . LEU . 4022 1 142 . ALA . 4022 1 143 . VAL . 4022 1 144 . ILE . 4022 1 145 . GLY . 4022 1 146 . VAL . 4022 1 147 . LEU . 4022 1 148 . MET . 4022 1 149 . LYS . 4022 1 150 . VAL . 4022 1 151 . GLY . 4022 1 152 . GLU . 4022 1 153 . ALA . 4022 1 154 . ASN . 4022 1 155 . PRO . 4022 1 156 . LYS . 4022 1 157 . LEU . 4022 1 158 . GLN . 4022 1 159 . LYS . 4022 1 160 . VAL . 4022 1 161 . LEU . 4022 1 162 . ASP . 4022 1 163 . ALA . 4022 1 164 . LEU . 4022 1 165 . GLN . 4022 1 166 . ALA . 4022 1 167 . ILE . 4022 1 168 . LYS . 4022 1 169 . THR . 4022 1 170 . LYS . 4022 1 171 . GLY . 4022 1 172 . LYS . 4022 1 173 . ARG . 4022 1 174 . ALA . 4022 1 175 . PRO . 4022 1 176 . PHE . 4022 1 177 . THR . 4022 1 178 . ASN . 4022 1 179 . PHE . 4022 1 180 . ASP . 4022 1 181 . PRO . 4022 1 182 . SER . 4022 1 183 . THR . 4022 1 184 . LEU . 4022 1 185 . LEU . 4022 1 186 . PRO . 4022 1 187 . SER . 4022 1 188 . SER . 4022 1 189 . LEU . 4022 1 190 . ASP . 4022 1 191 . PHE . 4022 1 192 . TRP . 4022 1 193 . THR . 4022 1 194 . TYR . 4022 1 195 . PRO . 4022 1 196 . GLY . 4022 1 197 . SER . 4022 1 198 . LEU . 4022 1 199 . THR . 4022 1 200 . HIS . 4022 1 201 . PRO . 4022 1 202 . PRO . 4022 1 203 . LEU . 4022 1 204 . TYR . 4022 1 205 . GLU . 4022 1 206 . SER . 4022 1 207 . VAL . 4022 1 208 . THR . 4022 1 209 . TRP . 4022 1 210 . ILE . 4022 1 211 . ILE . 4022 1 212 . CYS . 4022 1 213 . LYS . 4022 1 214 . GLU . 4022 1 215 . SER . 4022 1 216 . ILE . 4022 1 217 . SER . 4022 1 218 . VAL . 4022 1 219 . SER . 4022 1 220 . SER . 4022 1 221 . GLU . 4022 1 222 . GLN . 4022 1 223 . LEU . 4022 1 224 . ALA . 4022 1 225 . GLN . 4022 1 226 . PHE . 4022 1 227 . ARG . 4022 1 228 . SER . 4022 1 229 . LEU . 4022 1 230 . LEU . 4022 1 231 . SER . 4022 1 232 . ASN . 4022 1 233 . VAL . 4022 1 234 . GLU . 4022 1 235 . GLY . 4022 1 236 . ASP . 4022 1 237 . ASN . 4022 1 238 . ALA . 4022 1 239 . VAL . 4022 1 240 . PRO . 4022 1 241 . MET . 4022 1 242 . GLN . 4022 1 243 . HIS . 4022 1 244 . ASN . 4022 1 245 . ASN . 4022 1 246 . ARG . 4022 1 247 . PRO . 4022 1 248 . THR . 4022 1 249 . GLN . 4022 1 250 . PRO . 4022 1 251 . LEU . 4022 1 252 . LYS . 4022 1 253 . GLY . 4022 1 254 . ARG . 4022 1 255 . THR . 4022 1 256 . VAL . 4022 1 257 . ARG . 4022 1 258 . ALA . 4022 1 259 . SER . 4022 1 260 . PHE . 4022 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . ALA 1 1 4022 1 . SER 2 2 4022 1 . PRO 3 3 4022 1 . ASP 4 4 4022 1 . TRP 5 5 4022 1 . GLY 6 6 4022 1 . TYR 7 7 4022 1 . ASP 8 8 4022 1 . ASP 9 9 4022 1 . LYS 10 10 4022 1 . ASN 11 11 4022 1 . GLY 12 12 4022 1 . PRO 13 13 4022 1 . GLU 14 14 4022 1 . GLN 15 15 4022 1 . TRP 16 16 4022 1 . SER 17 17 4022 1 . LYS 18 18 4022 1 . LEU 19 19 4022 1 . TYR 20 20 4022 1 . PRO 21 21 4022 1 . ILE 22 22 4022 1 . ALA 23 23 4022 1 . ASN 24 24 4022 1 . GLY 25 25 4022 1 . ASN 26 26 4022 1 . ASN 27 27 4022 1 . GLN 28 28 4022 1 . SER 29 29 4022 1 . PRO 30 30 4022 1 . VAL 31 31 4022 1 . ASP 32 32 4022 1 . ILE 33 33 4022 1 . LYS 34 34 4022 1 . THR 35 35 4022 1 . SER 36 36 4022 1 . GLU 37 37 4022 1 . THR 38 38 4022 1 . LYS 39 39 4022 1 . HIS 40 40 4022 1 . ASP 41 41 4022 1 . THR 42 42 4022 1 . SER 43 43 4022 1 . LEU 44 44 4022 1 . LYS 45 45 4022 1 . PRO 46 46 4022 1 . ILE 47 47 4022 1 . SER 48 48 4022 1 . VAL 49 49 4022 1 . SER 50 50 4022 1 . TYR 51 51 4022 1 . ASN 52 52 4022 1 . PRO 53 53 4022 1 . ALA 54 54 4022 1 . THR 55 55 4022 1 . ALA 56 56 4022 1 . LYS 57 57 4022 1 . GLU 58 58 4022 1 . ILE 59 59 4022 1 . ILE 60 60 4022 1 . ASN 61 61 4022 1 . VAL 62 62 4022 1 . GLY 63 63 4022 1 . HIS 64 64 4022 1 . SER 65 65 4022 1 . PHE 66 66 4022 1 . HIS 67 67 4022 1 . VAL 68 68 4022 1 . ASN 69 69 4022 1 . PHE 70 70 4022 1 . GLU 71 71 4022 1 . ASP 72 72 4022 1 . ASN 73 73 4022 1 . ASP 74 74 4022 1 . ASN 75 75 4022 1 . ARG 76 76 4022 1 . SER 77 77 4022 1 . VAL 78 78 4022 1 . LEU 79 79 4022 1 . LYS 80 80 4022 1 . GLY 81 81 4022 1 . GLY 82 82 4022 1 . PRO 83 83 4022 1 . PHE 84 84 4022 1 . SER 85 85 4022 1 . ASP 86 86 4022 1 . SER 87 87 4022 1 . TYR 88 88 4022 1 . ARG 89 89 4022 1 . LEU 90 90 4022 1 . PHE 91 91 4022 1 . GLN 92 92 4022 1 . PHE 93 93 4022 1 . HIS 94 94 4022 1 . PHE 95 95 4022 1 . HIS 96 96 4022 1 . TRP 97 97 4022 1 . GLY 98 98 4022 1 . SER 99 99 4022 1 . THR 100 100 4022 1 . ASN 101 101 4022 1 . GLU 102 102 4022 1 . HIS 103 103 4022 1 . GLY 104 104 4022 1 . SER 105 105 4022 1 . GLU 106 106 4022 1 . HIS 107 107 4022 1 . THR 108 108 4022 1 . VAL 109 109 4022 1 . ASP 110 110 4022 1 . GLY 111 111 4022 1 . VAL 112 112 4022 1 . LYS 113 113 4022 1 . TYR 114 114 4022 1 . SER 115 115 4022 1 . ALA 116 116 4022 1 . GLU 117 117 4022 1 . LEU 118 118 4022 1 . HIS 119 119 4022 1 . VAL 120 120 4022 1 . ALA 121 121 4022 1 . HIS 122 122 4022 1 . TRP 123 123 4022 1 . ASN 124 124 4022 1 . SER 125 125 4022 1 . ALA 126 126 4022 1 . LYS 127 127 4022 1 . TYR 128 128 4022 1 . SER 129 129 4022 1 . SER 130 130 4022 1 . LEU 131 131 4022 1 . ALA 132 132 4022 1 . GLU 133 133 4022 1 . ALA 134 134 4022 1 . ALA 135 135 4022 1 . SER 136 136 4022 1 . LYS 137 137 4022 1 . ALA 138 138 4022 1 . ASP 139 139 4022 1 . GLY 140 140 4022 1 . LEU 141 141 4022 1 . ALA 142 142 4022 1 . VAL 143 143 4022 1 . ILE 144 144 4022 1 . GLY 145 145 4022 1 . VAL 146 146 4022 1 . LEU 147 147 4022 1 . MET 148 148 4022 1 . LYS 149 149 4022 1 . VAL 150 150 4022 1 . GLY 151 151 4022 1 . GLU 152 152 4022 1 . ALA 153 153 4022 1 . ASN 154 154 4022 1 . PRO 155 155 4022 1 . LYS 156 156 4022 1 . LEU 157 157 4022 1 . GLN 158 158 4022 1 . LYS 159 159 4022 1 . VAL 160 160 4022 1 . LEU 161 161 4022 1 . ASP 162 162 4022 1 . ALA 163 163 4022 1 . LEU 164 164 4022 1 . GLN 165 165 4022 1 . ALA 166 166 4022 1 . ILE 167 167 4022 1 . LYS 168 168 4022 1 . THR 169 169 4022 1 . LYS 170 170 4022 1 . GLY 171 171 4022 1 . LYS 172 172 4022 1 . ARG 173 173 4022 1 . ALA 174 174 4022 1 . PRO 175 175 4022 1 . PHE 176 176 4022 1 . THR 177 177 4022 1 . ASN 178 178 4022 1 . PHE 179 179 4022 1 . ASP 180 180 4022 1 . PRO 181 181 4022 1 . SER 182 182 4022 1 . THR 183 183 4022 1 . LEU 184 184 4022 1 . LEU 185 185 4022 1 . PRO 186 186 4022 1 . SER 187 187 4022 1 . SER 188 188 4022 1 . LEU 189 189 4022 1 . ASP 190 190 4022 1 . PHE 191 191 4022 1 . TRP 192 192 4022 1 . THR 193 193 4022 1 . TYR 194 194 4022 1 . PRO 195 195 4022 1 . GLY 196 196 4022 1 . SER 197 197 4022 1 . LEU 198 198 4022 1 . THR 199 199 4022 1 . HIS 200 200 4022 1 . PRO 201 201 4022 1 . PRO 202 202 4022 1 . LEU 203 203 4022 1 . TYR 204 204 4022 1 . GLU 205 205 4022 1 . SER 206 206 4022 1 . VAL 207 207 4022 1 . THR 208 208 4022 1 . TRP 209 209 4022 1 . ILE 210 210 4022 1 . ILE 211 211 4022 1 . CYS 212 212 4022 1 . LYS 213 213 4022 1 . GLU 214 214 4022 1 . SER 215 215 4022 1 . ILE 216 216 4022 1 . SER 217 217 4022 1 . VAL 218 218 4022 1 . SER 219 219 4022 1 . SER 220 220 4022 1 . GLU 221 221 4022 1 . GLN 222 222 4022 1 . LEU 223 223 4022 1 . ALA 224 224 4022 1 . GLN 225 225 4022 1 . PHE 226 226 4022 1 . ARG 227 227 4022 1 . SER 228 228 4022 1 . LEU 229 229 4022 1 . LEU 230 230 4022 1 . SER 231 231 4022 1 . ASN 232 232 4022 1 . VAL 233 233 4022 1 . GLU 234 234 4022 1 . GLY 235 235 4022 1 . ASP 236 236 4022 1 . ASN 237 237 4022 1 . ALA 238 238 4022 1 . VAL 239 239 4022 1 . PRO 240 240 4022 1 . MET 241 241 4022 1 . GLN 242 242 4022 1 . HIS 243 243 4022 1 . ASN 244 244 4022 1 . ASN 245 245 4022 1 . ARG 246 246 4022 1 . PRO 247 247 4022 1 . THR 248 248 4022 1 . GLN 249 249 4022 1 . PRO 250 250 4022 1 . LEU 251 251 4022 1 . LYS 252 252 4022 1 . GLY 253 253 4022 1 . ARG 254 254 4022 1 . THR 255 255 4022 1 . VAL 256 256 4022 1 . ARG 257 257 4022 1 . ALA 258 258 4022 1 . SER 259 259 4022 1 . PHE 260 260 4022 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 4022 _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 $HCA_I . 9606 . . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens generic . . . . . . . . . . . . . . . . . . . . 4022 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 4022 _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 $HCA_I . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli BL21 (DE3) . . . . . . . . . . . plasmid . . pHCAI . . . . . . 4022 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_one _Sample.Sf_category sample _Sample.Sf_framecode sample_one _Sample.Entry_ID 4022 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'human carbonic anhydrase I' [U-15N] . . 1 $HCA_I . . 0.8 . . mM . . . . 4022 1 2 D2O . . . . . . . 5 . . % . . . . 4022 1 3 H2O . . . . . . . 95 . . % . . . . 4022 1 4 'phosphate buffer' . . . . . . . 40 . . mM . . . . 4022 1 stop_ save_ save_sample_two _Sample.Sf_category sample _Sample.Sf_framecode sample_two _Sample.Entry_ID 4022 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'human carbonic anhydrase I' [U-13C] . . 1 $HCA_I . . 0.8 . . mM . . . . 4022 2 2 D2O . . . . . . . 5 . . % . . . . 4022 2 3 H2O . . . . . . . 95 . . % . . . . 4022 2 4 'phosphate buffer' . . . . . . . 40 . . mM . . . . 4022 2 stop_ save_ save_sample_three _Sample.Sf_category sample _Sample.Sf_framecode sample_three _Sample.Entry_ID 4022 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 15N residue selective labeling of the following amino acids: Ala,Gly, His, Ile, Leu, Lys, Phe, Ser, Trp and Val listed below ; _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'human carbonic anhydrase I' ; [15N]-Ala;[15N]-Gly;[15N]-His;[15N]-Ile;[15N]-Leu;[15N]-Lys;[15N]-Phe; [15N]-Ser;[15N]-Trp;[15N]-Val ; . . 1 $HCA_I . . 0.8 . . mM . . . . 4022 3 2 D2O . . . . . . . 5 . . % . . . . 4022 3 3 H2O . . . . . . . 95 . . % . . . . 4022 3 4 'phosphate buffer' . . . . . . . 40 . . mM . . . . 4022 3 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_one _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_one _Sample_condition_list.Entry_ID 4022 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.2 . na 4022 1 temperature 303 . K 4022 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_list _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_list _NMR_spectrometer.Entry_ID 4022 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'spectrometer information not available' _NMR_spectrometer.Manufacturer unknown _NMR_spectrometer.Model unknown _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 0 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 4022 _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 unknown unknown . 0 'spectrometer information not available' . . 4022 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 4022 _Experiment_list.ID 1 _Experiment_list.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_one _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_one _Chem_shift_reference.Entry_ID 4022 _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 . indirect 0.251449530 . . . . . . . . . 4022 1 H 1 H2O protons . . . . ppm 4.72 . direct . . . . . . . . . . 4022 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 4022 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_one _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_one _Assigned_chem_shift_list.Entry_ID 4022 _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_one _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_one _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_one . 4022 1 . . 2 $sample_two . 4022 1 . . 3 $sample_three . 4022 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 1 1 ALA H H 1 8.27 0.01 . 1 . . . . . . . . 4022 1 2 . 1 1 1 1 ALA N N 15 124.5 0.2 . 1 . . . . . . . . 4022 1 3 . 1 1 1 1 ALA CA C 13 51.9 0.2 . 1 . . . . . . . . 4022 1 4 . 1 1 1 1 ALA CB C 13 19.4 0.2 . 1 . . . . . . . . 4022 1 5 . 1 1 1 1 ALA C C 13 173.9 0.2 . 1 . . . . . . . . 4022 1 6 . 1 1 1 1 ALA HA H 1 4.13 0.01 . 1 . . . . . . . . 4022 1 7 . 1 1 2 2 SER H H 1 8.25 0.01 . 1 . . . . . . . . 4022 1 8 . 1 1 2 2 SER N N 15 116.5 0.2 . 1 . . . . . . . . 4022 1 9 . 1 1 2 2 SER CA C 13 57.5 0.2 . 1 . . . . . . . . 4022 1 10 . 1 1 2 2 SER CB C 13 63.3 0.2 . 1 . . . . . . . . 4022 1 11 . 1 1 2 2 SER C C 13 170.2 0.2 . 1 . . . . . . . . 4022 1 12 . 1 1 2 2 SER HA H 1 4.00 0.01 . 1 . . . . . . . . 4022 1 13 . 1 1 3 3 PRO CA C 13 63.1 0.2 . 1 . . . . . . . . 4022 1 14 . 1 1 3 3 PRO CB C 13 32.2 0.2 . 1 . . . . . . . . 4022 1 15 . 1 1 3 3 PRO C C 13 176.6 0.2 . 1 . . . . . . . . 4022 1 16 . 1 1 3 3 PRO HA H 1 4.46 0.01 . 1 . . . . . . . . 4022 1 17 . 1 1 3 3 PRO HB2 H 1 2.21 0.01 . 2 . . . . . . . . 4022 1 18 . 1 1 3 3 PRO HB3 H 1 1.83 0.01 . 2 . . . . . . . . 4022 1 19 . 1 1 4 4 ASP H H 1 8.44 0.01 . 1 . . . . . . . . 4022 1 20 . 1 1 4 4 ASP N N 15 121.7 0.2 . 1 . . . . . . . . 4022 1 21 . 1 1 4 4 ASP CA C 13 54.6 0.2 . 1 . . . . . . . . 4022 1 22 . 1 1 4 4 ASP CB C 13 41.3 0.2 . 1 . . . . . . . . 4022 1 23 . 1 1 4 4 ASP C C 13 174.6 0.2 . 1 . . . . . . . . 4022 1 24 . 1 1 4 4 ASP HA H 1 4.55 0.01 . 1 . . . . . . . . 4022 1 25 . 1 1 4 4 ASP HB2 H 1 2.63 0.01 . 1 . . . . . . . . 4022 1 26 . 1 1 4 4 ASP HB3 H 1 2.63 0.01 . 1 . . . . . . . . 4022 1 27 . 1 1 5 5 TRP H H 1 7.4 0.01 . 1 . . . . . . . . 4022 1 28 . 1 1 5 5 TRP N N 15 115.9 0.2 . 1 . . . . . . . . 4022 1 29 . 1 1 5 5 TRP CA C 13 54.7 0.2 . 1 . . . . . . . . 4022 1 30 . 1 1 5 5 TRP CB C 13 31.4 0.2 . 1 . . . . . . . . 4022 1 31 . 1 1 5 5 TRP C C 13 173.9 0.2 . 1 . . . . . . . . 4022 1 32 . 1 1 5 5 TRP HA H 1 4.96 0.01 . 1 . . . . . . . . 4022 1 33 . 1 1 5 5 TRP HB2 H 1 3.26 0.01 . 2 . . . . . . . . 4022 1 34 . 1 1 5 5 TRP HB3 H 1 2.99 0.01 . 2 . . . . . . . . 4022 1 35 . 1 1 6 6 GLY H H 1 8.26 0.01 . 1 . . . . . . . . 4022 1 36 . 1 1 6 6 GLY N N 15 109.9 0.2 . 1 . . . . . . . . 4022 1 37 . 1 1 6 6 GLY CA C 13 45.4 0.2 . 1 . . . . . . . . 4022 1 38 . 1 1 6 6 GLY C C 13 171.6 0.2 . 1 . . . . . . . . 4022 1 39 . 1 1 6 6 GLY HA2 H 1 3.71 0.01 . 2 . . . . . . . . 4022 1 40 . 1 1 6 6 GLY HA3 H 1 3.66 0.01 . 2 . . . . . . . . 4022 1 41 . 1 1 7 7 TYR H H 1 9.06 0.01 . 1 . . . . . . . . 4022 1 42 . 1 1 7 7 TYR N N 15 118.5 0.2 . 1 . . . . . . . . 4022 1 43 . 1 1 7 7 TYR CA C 13 58.6 0.2 . 1 . . . . . . . . 4022 1 44 . 1 1 7 7 TYR CB C 13 39.7 0.2 . 1 . . . . . . . . 4022 1 45 . 1 1 7 7 TYR C C 13 175.5 0.2 . 1 . . . . . . . . 4022 1 46 . 1 1 7 7 TYR HA H 1 4.89 0.01 . 1 . . . . . . . . 4022 1 47 . 1 1 7 7 TYR HB2 H 1 3.2 0.01 . 2 . . . . . . . . 4022 1 48 . 1 1 7 7 TYR HB3 H 1 2.38 0.01 . 2 . . . . . . . . 4022 1 49 . 1 1 8 8 ASP H H 1 8.29 0.01 . 1 . . . . . . . . 4022 1 50 . 1 1 8 8 ASP N N 15 122.4 0.2 . 1 . . . . . . . . 4022 1 51 . 1 1 8 8 ASP CA C 13 53.9 0.2 . 1 . . . . . . . . 4022 1 52 . 1 1 8 8 ASP CB C 13 42.2 0.2 . 1 . . . . . . . . 4022 1 53 . 1 1 8 8 ASP C C 13 175.6 0.2 . 1 . . . . . . . . 4022 1 54 . 1 1 8 8 ASP HA H 1 5.07 0.01 . 1 . . . . . . . . 4022 1 55 . 1 1 8 8 ASP HB2 H 1 2.9 0.01 . 1 . . . . . . . . 4022 1 56 . 1 1 8 8 ASP HB3 H 1 2.9 0.01 . 1 . . . . . . . . 4022 1 57 . 1 1 9 9 ASP H H 1 8.45 0.01 . 1 . . . . . . . . 4022 1 58 . 1 1 9 9 ASP N N 15 117.3 0.2 . 1 . . . . . . . . 4022 1 59 . 1 1 9 9 ASP CA C 13 56.9 0.2 . 1 . . . . . . . . 4022 1 60 . 1 1 9 9 ASP CB C 13 40.5 0.2 . 1 . . . . . . . . 4022 1 61 . 1 1 9 9 ASP C C 13 177.9 0.2 . 1 . . . . . . . . 4022 1 62 . 1 1 9 9 ASP HA H 1 4.35 0.01 . 1 . . . . . . . . 4022 1 63 . 1 1 9 9 ASP HB2 H 1 2.65 0.01 . 1 . . . . . . . . 4022 1 64 . 1 1 9 9 ASP HB3 H 1 2.65 0.01 . 1 . . . . . . . . 4022 1 65 . 1 1 10 10 LYS H H 1 8.38 0.01 . 1 . . . . . . . . 4022 1 66 . 1 1 10 10 LYS N N 15 116.7 0.2 . 1 . . . . . . . . 4022 1 67 . 1 1 10 10 LYS CA C 13 57.3 0.2 . 1 . . . . . . . . 4022 1 68 . 1 1 10 10 LYS CB C 13 32.7 0.2 . 1 . . . . . . . . 4022 1 69 . 1 1 10 10 LYS C C 13 177.00 0.2 . 1 . . . . . . . . 4022 1 70 . 1 1 10 10 LYS HA H 1 4.25 0.01 . 1 . . . . . . . . 4022 1 71 . 1 1 10 10 LYS HB2 H 1 1.8 0.01 . 1 . . . . . . . . 4022 1 72 . 1 1 10 10 LYS HB3 H 1 1.8 0.01 . 1 . . . . . . . . 4022 1 73 . 1 1 11 11 ASN H H 1 7.94 0.01 . 1 . . . . . . . . 4022 1 74 . 1 1 11 11 ASN N N 15 118.1 0.2 . 1 . . . . . . . . 4022 1 75 . 1 1 11 11 ASN CA C 13 52.2 0.2 . 1 . . . . . . . . 4022 1 76 . 1 1 11 11 ASN CB C 13 38.8 0.2 . 1 . . . . . . . . 4022 1 77 . 1 1 11 11 ASN C C 13 176.00 0.2 . 1 . . . . . . . . 4022 1 78 . 1 1 11 11 ASN HA H 1 4.79 0.01 . 1 . . . . . . . . 4022 1 79 . 1 1 11 11 ASN HB2 H 1 3.13 0.01 . 2 . . . . . . . . 4022 1 80 . 1 1 11 11 ASN HB3 H 1 2.73 0.01 . 2 . . . . . . . . 4022 1 81 . 1 1 12 12 GLY H H 1 7.52 0.01 . 1 . . . . . . . . 4022 1 82 . 1 1 12 12 GLY N N 15 109.1 0.2 . 1 . . . . . . . . 4022 1 83 . 1 1 12 12 GLY CA C 13 45.5 0.2 . 1 . . . . . . . . 4022 1 84 . 1 1 12 12 GLY HA2 H 1 4.94 0.01 . 2 . . . . . . . . 4022 1 85 . 1 1 12 12 GLY HA3 H 1 3.88 0.01 . 2 . . . . . . . . 4022 1 86 . 1 1 13 13 PRO CA C 13 64.2 0.2 . 1 . . . . . . . . 4022 1 87 . 1 1 13 13 PRO CB C 13 32.00 0.2 . 1 . . . . . . . . 4022 1 88 . 1 1 13 13 PRO HA H 1 3.58 0.01 . 1 . . . . . . . . 4022 1 89 . 1 1 13 13 PRO HB2 H 1 1.7 0.01 . 2 . . . . . . . . 4022 1 90 . 1 1 13 13 PRO HB3 H 1 1.41 0.01 . 2 . . . . . . . . 4022 1 91 . 1 1 14 14 GLU H H 1 8.69 0.01 . 1 . . . . . . . . 4022 1 92 . 1 1 14 14 GLU N N 15 116.9 0.2 . 1 . . . . . . . . 4022 1 93 . 1 1 14 14 GLU CA C 13 58.5 0.2 . 1 . . . . . . . . 4022 1 94 . 1 1 14 14 GLU CB C 13 28.7 0.2 . 1 . . . . . . . . 4022 1 95 . 1 1 14 14 GLU C C 13 177.00 0.2 . 1 . . . . . . . . 4022 1 96 . 1 1 14 14 GLU HA H 1 4.01 0.01 . 1 . . . . . . . . 4022 1 97 . 1 1 14 14 GLU HB2 H 1 2.05 0.01 . 2 . . . . . . . . 4022 1 98 . 1 1 14 14 GLU HB3 H 1 1.9 0.01 . 2 . . . . . . . . 4022 1 99 . 1 1 15 15 GLN H H 1 8.5 0.01 . 1 . . . . . . . . 4022 1 100 . 1 1 15 15 GLN N N 15 116.00 0.2 . 1 . . . . . . . . 4022 1 101 . 1 1 15 15 GLN CA C 13 55.1 0.2 . 1 . . . . . . . . 4022 1 102 . 1 1 15 15 GLN CB C 13 29.1 0.2 . 1 . . . . . . . . 4022 1 103 . 1 1 15 15 GLN C C 13 178.2 0.2 . 1 . . . . . . . . 4022 1 104 . 1 1 15 15 GLN HA H 1 4.55 0.01 . 1 . . . . . . . . 4022 1 105 . 1 1 15 15 GLN HB2 H 1 2.37 0.01 . 2 . . . . . . . . 4022 1 106 . 1 1 15 15 GLN HB3 H 1 2.01 0.01 . 2 . . . . . . . . 4022 1 107 . 1 1 16 16 TRP H H 1 7.42 0.01 . 1 . . . . . . . . 4022 1 108 . 1 1 16 16 TRP N N 15 120.7 0.2 . 1 . . . . . . . . 4022 1 109 . 1 1 16 16 TRP CA C 13 58.5 0.2 . 1 . . . . . . . . 4022 1 110 . 1 1 16 16 TRP CB C 13 29.2 0.2 . 1 . . . . . . . . 4022 1 111 . 1 1 16 16 TRP C C 13 178.00 0.2 . 1 . . . . . . . . 4022 1 112 . 1 1 16 16 TRP HA H 1 4.6 0.01 . 1 . . . . . . . . 4022 1 113 . 1 1 17 17 SER H H 1 9.01 0.01 . 1 . . . . . . . . 4022 1 114 . 1 1 17 17 SER N N 15 113.2 0.2 . 1 . . . . . . . . 4022 1 115 . 1 1 17 17 SER CA C 13 60.2 0.2 . 1 . . . . . . . . 4022 1 116 . 1 1 17 17 SER CB C 13 62.00 0.2 . 1 . . . . . . . . 4022 1 117 . 1 1 17 17 SER C C 13 174.9 0.2 . 1 . . . . . . . . 4022 1 118 . 1 1 17 17 SER HA H 1 4.27 0.01 . 1 . . . . . . . . 4022 1 119 . 1 1 17 17 SER HB2 H 1 3.81 0.01 . 1 . . . . . . . . 4022 1 120 . 1 1 17 17 SER HB3 H 1 3.81 0.01 . 1 . . . . . . . . 4022 1 121 . 1 1 18 18 LYS H H 1 7.45 0.01 . 1 . . . . . . . . 4022 1 122 . 1 1 18 18 LYS N N 15 120.4 0.2 . 1 . . . . . . . . 4022 1 123 . 1 1 18 18 LYS CA C 13 58.6 0.2 . 1 . . . . . . . . 4022 1 124 . 1 1 18 18 LYS CB C 13 32.3 0.2 . 1 . . . . . . . . 4022 1 125 . 1 1 18 18 LYS C C 13 177.3 0.2 . 1 . . . . . . . . 4022 1 126 . 1 1 18 18 LYS HA H 1 4.05 0.01 . 1 . . . . . . . . 4022 1 127 . 1 1 18 18 LYS HB2 H 1 1.91 0.01 . 1 . . . . . . . . 4022 1 128 . 1 1 18 18 LYS HB3 H 1 1.91 0.01 . 1 . . . . . . . . 4022 1 129 . 1 1 19 19 LEU H H 1 7.29 0.01 . 1 . . . . . . . . 4022 1 130 . 1 1 19 19 LEU N N 15 117.4 0.2 . 1 . . . . . . . . 4022 1 131 . 1 1 19 19 LEU CA C 13 55.2 0.2 . 1 . . . . . . . . 4022 1 132 . 1 1 19 19 LEU CB C 13 44.8 0.2 . 1 . . . . . . . . 4022 1 133 . 1 1 19 19 LEU C C 13 176.3 0.2 . 1 . . . . . . . . 4022 1 134 . 1 1 19 19 LEU HA H 1 4.19 0.01 . 1 . . . . . . . . 4022 1 135 . 1 1 19 19 LEU HB2 H 1 1.65 0.01 . 2 . . . . . . . . 4022 1 136 . 1 1 19 19 LEU HB3 H 1 1.03 0.01 . 2 . . . . . . . . 4022 1 137 . 1 1 20 20 TYR H H 1 8.39 0.01 . 1 . . . . . . . . 4022 1 138 . 1 1 20 20 TYR N N 15 116.4 0.2 . 1 . . . . . . . . 4022 1 139 . 1 1 20 20 TYR CA C 13 55.00 0.2 . 1 . . . . . . . . 4022 1 140 . 1 1 20 20 TYR CB C 13 39.00 0.2 . 1 . . . . . . . . 4022 1 141 . 1 1 21 21 PRO CA C 13 65.2 0.2 . 1 . . . . . . . . 4022 1 142 . 1 1 21 21 PRO CB C 13 31.8 0.2 . 1 . . . . . . . . 4022 1 143 . 1 1 21 21 PRO C C 13 178.4 0.2 . 1 . . . . . . . . 4022 1 144 . 1 1 21 21 PRO HA H 1 4.41 0.01 . 1 . . . . . . . . 4022 1 145 . 1 1 21 21 PRO HB2 H 1 2.37 0.01 . 2 . . . . . . . . 4022 1 146 . 1 1 21 21 PRO HB3 H 1 1.89 0.01 . 2 . . . . . . . . 4022 1 147 . 1 1 22 22 ILE H H 1 7.99 0.01 . 1 . . . . . . . . 4022 1 148 . 1 1 22 22 ILE N N 15 119.7 0.2 . 1 . . . . . . . . 4022 1 149 . 1 1 22 22 ILE CA C 13 60.7 0.2 . 1 . . . . . . . . 4022 1 150 . 1 1 22 22 ILE CB C 13 38.9 0.2 . 1 . . . . . . . . 4022 1 151 . 1 1 22 22 ILE C C 13 174.9 0.2 . 1 . . . . . . . . 4022 1 152 . 1 1 22 22 ILE HA H 1 4.13 0.01 . 1 . . . . . . . . 4022 1 153 . 1 1 22 22 ILE HB H 1 1.82 0.01 . 1 . . . . . . . . 4022 1 154 . 1 1 23 23 ALA H H 1 8.48 0.01 . 1 . . . . . . . . 4022 1 155 . 1 1 23 23 ALA N N 15 123.5 0.2 . 1 . . . . . . . . 4022 1 156 . 1 1 23 23 ALA CA C 13 53.7 0.2 . 1 . . . . . . . . 4022 1 157 . 1 1 23 23 ALA CB C 13 18.6 0.2 . 1 . . . . . . . . 4022 1 158 . 1 1 23 23 ALA C C 13 178.5 0.2 . 1 . . . . . . . . 4022 1 159 . 1 1 23 23 ALA HA H 1 4.1 0.01 . 1 . . . . . . . . 4022 1 160 . 1 1 23 23 ALA HB1 H 1 1.22 0.01 . 1 . . . . . . . . 4022 1 161 . 1 1 23 23 ALA HB2 H 1 1.22 0.01 . 1 . . . . . . . . 4022 1 162 . 1 1 23 23 ALA HB3 H 1 1.22 0.01 . 1 . . . . . . . . 4022 1 163 . 1 1 24 24 ASN H H 1 7.17 0.01 . 1 . . . . . . . . 4022 1 164 . 1 1 24 24 ASN N N 15 112.2 0.2 . 1 . . . . . . . . 4022 1 165 . 1 1 24 24 ASN CA C 13 52.2 0.2 . 1 . . . . . . . . 4022 1 166 . 1 1 24 24 ASN CB C 13 38.5 0.2 . 1 . . . . . . . . 4022 1 167 . 1 1 24 24 ASN C C 13 175.5 0.2 . 1 . . . . . . . . 4022 1 168 . 1 1 24 24 ASN HA H 1 5.03 0.01 . 1 . . . . . . . . 4022 1 169 . 1 1 24 24 ASN HB2 H 1 3.17 0.01 . 2 . . . . . . . . 4022 1 170 . 1 1 24 24 ASN HB3 H 1 2.59 0.01 . 2 . . . . . . . . 4022 1 171 . 1 1 25 25 GLY H H 1 8.35 0.01 . 1 . . . . . . . . 4022 1 172 . 1 1 25 25 GLY N N 15 108.7 0.2 . 1 . . . . . . . . 4022 1 173 . 1 1 25 25 GLY CA C 13 45.00 0.2 . 1 . . . . . . . . 4022 1 174 . 1 1 25 25 GLY C C 13 173.5 0.2 . 1 . . . . . . . . 4022 1 175 . 1 1 25 25 GLY HA2 H 1 4.26 0.01 . 2 . . . . . . . . 4022 1 176 . 1 1 25 25 GLY HA3 H 1 4.09 0.01 . 2 . . . . . . . . 4022 1 177 . 1 1 26 26 ASN H H 1 9.26 0.01 . 1 . . . . . . . . 4022 1 178 . 1 1 26 26 ASN N N 15 116.7 0.2 . 1 . . . . . . . . 4022 1 179 . 1 1 26 26 ASN CA C 13 54.1 0.2 . 1 . . . . . . . . 4022 1 180 . 1 1 26 26 ASN CB C 13 39.4 0.2 . 1 . . . . . . . . 4022 1 181 . 1 1 26 26 ASN C C 13 175.00 0.2 . 1 . . . . . . . . 4022 1 182 . 1 1 26 26 ASN HA H 1 4.69 0.01 . 1 . . . . . . . . 4022 1 183 . 1 1 26 26 ASN HB2 H 1 2.64 0.01 . 1 . . . . . . . . 4022 1 184 . 1 1 26 26 ASN HB3 H 1 2.64 0.01 . 1 . . . . . . . . 4022 1 185 . 1 1 27 27 ASN H H 1 8.78 0.01 . 1 . . . . . . . . 4022 1 186 . 1 1 27 27 ASN N N 15 119.4 0.2 . 1 . . . . . . . . 4022 1 187 . 1 1 27 27 ASN CA C 13 51.4 0.2 . 1 . . . . . . . . 4022 1 188 . 1 1 27 27 ASN CB C 13 39.8 0.2 . 1 . . . . . . . . 4022 1 189 . 1 1 27 27 ASN C C 13 174.5 0.2 . 1 . . . . . . . . 4022 1 190 . 1 1 27 27 ASN HA H 1 4.9 0.01 . 1 . . . . . . . . 4022 1 191 . 1 1 27 27 ASN HB2 H 1 2.71 0.01 . 2 . . . . . . . . 4022 1 192 . 1 1 27 27 ASN HB3 H 1 2.25 0.01 . 2 . . . . . . . . 4022 1 193 . 1 1 28 28 GLN H H 1 7.57 0.01 . 1 . . . . . . . . 4022 1 194 . 1 1 28 28 GLN N N 15 114.5 0.2 . 1 . . . . . . . . 4022 1 195 . 1 1 28 28 GLN CA C 13 55.5 0.2 . 1 . . . . . . . . 4022 1 196 . 1 1 28 28 GLN CB C 13 31.9 0.2 . 1 . . . . . . . . 4022 1 197 . 1 1 28 28 GLN HA H 1 4.44 0.01 . 1 . . . . . . . . 4022 1 198 . 1 1 29 29 SER H H 1 8.1 0.01 . 1 . . . . . . . . 4022 1 199 . 1 1 29 29 SER N N 15 117.5 0.2 . 1 . . . . . . . . 4022 1 200 . 1 1 29 29 SER CA C 13 57.00 0.2 . 1 . . . . . . . . 4022 1 201 . 1 1 29 29 SER CB C 13 63.2 0.2 . 1 . . . . . . . . 4022 1 202 . 1 1 29 29 SER C C 13 172.3 0.2 . 1 . . . . . . . . 4022 1 203 . 1 1 29 29 SER HA H 1 4.81 0.01 . 1 . . . . . . . . 4022 1 204 . 1 1 30 30 PRO CA C 13 61.8 0.2 . 1 . . . . . . . . 4022 1 205 . 1 1 30 30 PRO CB C 13 33.4 0.2 . 1 . . . . . . . . 4022 1 206 . 1 1 30 30 PRO C C 13 172.9 0.2 . 1 . . . . . . . . 4022 1 207 . 1 1 30 30 PRO HA H 1 3.7 0.01 . 1 . . . . . . . . 4022 1 208 . 1 1 31 31 VAL H H 1 6.13 0.01 . 1 . . . . . . . . 4022 1 209 . 1 1 31 31 VAL N N 15 107.1 0.2 . 1 . . . . . . . . 4022 1 210 . 1 1 31 31 VAL CA C 13 59.00 0.2 . 1 . . . . . . . . 4022 1 211 . 1 1 31 31 VAL CB C 13 35.5 0.2 . 1 . . . . . . . . 4022 1 212 . 1 1 31 31 VAL C C 13 173.1 0.2 . 1 . . . . . . . . 4022 1 213 . 1 1 31 31 VAL HA H 1 4.6 0.01 . 1 . . . . . . . . 4022 1 214 . 1 1 31 31 VAL HB H 1 1.79 0.01 . 1 . . . . . . . . 4022 1 215 . 1 1 32 32 ASP H H 1 8.41 0.01 . 1 . . . . . . . . 4022 1 216 . 1 1 32 32 ASP N N 15 119.2 0.2 . 1 . . . . . . . . 4022 1 217 . 1 1 32 32 ASP CA C 13 52.4 0.2 . 1 . . . . . . . . 4022 1 218 . 1 1 32 32 ASP CB C 13 42.3 0.2 . 1 . . . . . . . . 4022 1 219 . 1 1 32 32 ASP C C 13 175.1 0.2 . 1 . . . . . . . . 4022 1 220 . 1 1 32 32 ASP HA H 1 4.89 0.01 . 1 . . . . . . . . 4022 1 221 . 1 1 32 32 ASP HB2 H 1 2.3 0.01 . 2 . . . . . . . . 4022 1 222 . 1 1 32 32 ASP HB3 H 1 2.16 0.01 . 2 . . . . . . . . 4022 1 223 . 1 1 33 33 ILE H H 1 8.46 0.01 . 1 . . . . . . . . 4022 1 224 . 1 1 33 33 ILE N N 15 127.9 0.2 . 1 . . . . . . . . 4022 1 225 . 1 1 33 33 ILE CA C 13 61.6 0.2 . 1 . . . . . . . . 4022 1 226 . 1 1 33 33 ILE CB C 13 37.6 0.2 . 1 . . . . . . . . 4022 1 227 . 1 1 33 33 ILE C C 13 173.9 0.2 . 1 . . . . . . . . 4022 1 228 . 1 1 33 33 ILE HA H 1 3.31 0.01 . 1 . . . . . . . . 4022 1 229 . 1 1 33 33 ILE HB H 1 1.34 0.01 . 1 . . . . . . . . 4022 1 230 . 1 1 34 34 LYS H H 1 8.02 0.01 . 1 . . . . . . . . 4022 1 231 . 1 1 34 34 LYS N N 15 129.2 0.2 . 1 . . . . . . . . 4022 1 232 . 1 1 34 34 LYS CA C 13 54.2 0.2 . 1 . . . . . . . . 4022 1 233 . 1 1 34 34 LYS CB C 13 31.7 0.2 . 1 . . . . . . . . 4022 1 234 . 1 1 34 34 LYS C C 13 179.1 0.2 . 1 . . . . . . . . 4022 1 235 . 1 1 34 34 LYS HA H 1 4.84 0.01 . 1 . . . . . . . . 4022 1 236 . 1 1 34 34 LYS HB2 H 1 1.62 0.01 . 1 . . . . . . . . 4022 1 237 . 1 1 34 34 LYS HB3 H 1 1.62 0.01 . 1 . . . . . . . . 4022 1 238 . 1 1 35 35 THR H H 1 10.08 0.01 . 1 . . . . . . . . 4022 1 239 . 1 1 35 35 THR N N 15 123.4 0.2 . 1 . . . . . . . . 4022 1 240 . 1 1 35 35 THR CA C 13 66.2 0.2 . 1 . . . . . . . . 4022 1 241 . 1 1 35 35 THR CB C 13 68.9 0.2 . 1 . . . . . . . . 4022 1 242 . 1 1 35 35 THR C C 13 177.9 0.2 . 1 . . . . . . . . 4022 1 243 . 1 1 35 35 THR HA H 1 3.8 0.01 . 1 . . . . . . . . 4022 1 244 . 1 1 35 35 THR HB H 1 4.36 0.01 . 1 . . . . . . . . 4022 1 245 . 1 1 36 36 SER H H 1 8.78 0.01 . 1 . . . . . . . . 4022 1 246 . 1 1 36 36 SER N N 15 116.9 0.2 . 1 . . . . . . . . 4022 1 247 . 1 1 36 36 SER CA C 13 59.9 0.2 . 1 . . . . . . . . 4022 1 248 . 1 1 36 36 SER CB C 13 62.8 0.2 . 1 . . . . . . . . 4022 1 249 . 1 1 36 36 SER C C 13 175.2 0.2 . 1 . . . . . . . . 4022 1 250 . 1 1 36 36 SER HA H 1 4.35 0.01 . 1 . . . . . . . . 4022 1 251 . 1 1 36 36 SER HB2 H 1 4.05 0.01 . 2 . . . . . . . . 4022 1 252 . 1 1 36 36 SER HB3 H 1 3.87 0.01 . 2 . . . . . . . . 4022 1 253 . 1 1 37 37 GLU H H 1 7.64 0.01 . 1 . . . . . . . . 4022 1 254 . 1 1 37 37 GLU N N 15 119.00 0.2 . 1 . . . . . . . . 4022 1 255 . 1 1 37 37 GLU CA C 13 55.4 0.2 . 1 . . . . . . . . 4022 1 256 . 1 1 37 37 GLU CB C 13 30.8 0.2 . 1 . . . . . . . . 4022 1 257 . 1 1 37 37 GLU C C 13 177.2 0.2 . 1 . . . . . . . . 4022 1 258 . 1 1 37 37 GLU HA H 1 4.6 0.01 . 1 . . . . . . . . 4022 1 259 . 1 1 37 37 GLU HB2 H 1 2.37 0.01 . 2 . . . . . . . . 4022 1 260 . 1 1 37 37 GLU HB3 H 1 1.72 0.01 . 2 . . . . . . . . 4022 1 261 . 1 1 38 38 THR H H 1 7.26 0.01 . 1 . . . . . . . . 4022 1 262 . 1 1 38 38 THR N N 15 112.5 0.2 . 1 . . . . . . . . 4022 1 263 . 1 1 38 38 THR CA C 13 61.4 0.2 . 1 . . . . . . . . 4022 1 264 . 1 1 38 38 THR CB C 13 71.1 0.2 . 1 . . . . . . . . 4022 1 265 . 1 1 38 38 THR C C 13 174.00 0.2 . 1 . . . . . . . . 4022 1 266 . 1 1 38 38 THR HA H 1 4.58 0.01 . 1 . . . . . . . . 4022 1 267 . 1 1 38 38 THR HB H 1 3.94 0.01 . 1 . . . . . . . . 4022 1 268 . 1 1 39 39 LYS H H 1 8.35 0.01 . 1 . . . . . . . . 4022 1 269 . 1 1 39 39 LYS N N 15 121.4 0.2 . 1 . . . . . . . . 4022 1 270 . 1 1 39 39 LYS CA C 13 54.00 0.2 . 1 . . . . . . . . 4022 1 271 . 1 1 39 39 LYS CB C 13 34.6 0.2 . 1 . . . . . . . . 4022 1 272 . 1 1 39 39 LYS HA H 1 4.6 0.01 . 1 . . . . . . . . 4022 1 273 . 1 1 39 39 LYS HB2 H 1 1.7 0.01 . 1 . . . . . . . . 4022 1 274 . 1 1 39 39 LYS HB3 H 1 1.7 0.01 . 1 . . . . . . . . 4022 1 275 . 1 1 40 40 HIS H H 1 9.12 0.01 . 1 . . . . . . . . 4022 1 276 . 1 1 40 40 HIS N N 15 126.3 0.2 . 1 . . . . . . . . 4022 1 277 . 1 1 40 40 HIS CA C 13 55.3 0.2 . 1 . . . . . . . . 4022 1 278 . 1 1 40 40 HIS CB C 13 27.9 0.2 . 1 . . . . . . . . 4022 1 279 . 1 1 40 40 HIS C C 13 173.7 0.2 . 1 . . . . . . . . 4022 1 280 . 1 1 40 40 HIS HA H 1 4.61 0.01 . 1 . . . . . . . . 4022 1 281 . 1 1 40 40 HIS HB2 H 1 3.03 0.01 . 1 . . . . . . . . 4022 1 282 . 1 1 40 40 HIS HB3 H 1 3.03 0.01 . 1 . . . . . . . . 4022 1 283 . 1 1 41 41 ASP H H 1 8.05 0.01 . 1 . . . . . . . . 4022 1 284 . 1 1 41 41 ASP N N 15 127.7 0.2 . 1 . . . . . . . . 4022 1 285 . 1 1 41 41 ASP CA C 13 52.5 0.2 . 1 . . . . . . . . 4022 1 286 . 1 1 41 41 ASP CB C 13 42.00 0.2 . 1 . . . . . . . . 4022 1 287 . 1 1 41 41 ASP C C 13 176.4 0.2 . 1 . . . . . . . . 4022 1 288 . 1 1 41 41 ASP HA H 1 4.87 0.01 . 1 . . . . . . . . 4022 1 289 . 1 1 41 41 ASP HB2 H 1 2.3 0.01 . 1 . . . . . . . . 4022 1 290 . 1 1 41 41 ASP HB3 H 1 2.3 0.01 . 1 . . . . . . . . 4022 1 291 . 1 1 42 42 THR H H 1 8.38 0.01 . 1 . . . . . . . . 4022 1 292 . 1 1 42 42 THR N N 15 116.6 0.2 . 1 . . . . . . . . 4022 1 293 . 1 1 42 42 THR CA C 13 63.1 0.2 . 1 . . . . . . . . 4022 1 294 . 1 1 42 42 THR CB C 13 68.4 0.2 . 1 . . . . . . . . 4022 1 295 . 1 1 42 42 THR C C 13 175.00 0.2 . 1 . . . . . . . . 4022 1 296 . 1 1 42 42 THR HA H 1 3.98 0.01 . 1 . . . . . . . . 4022 1 297 . 1 1 42 42 THR HB H 1 4.39 0.01 . 1 . . . . . . . . 4022 1 298 . 1 1 43 43 SER H H 1 8.73 0.01 . 1 . . . . . . . . 4022 1 299 . 1 1 43 43 SER N N 15 117.4 0.2 . 1 . . . . . . . . 4022 1 300 . 1 1 43 43 SER CA C 13 59.4 0.2 . 1 . . . . . . . . 4022 1 301 . 1 1 43 43 SER CB C 13 63.7 0.2 . 1 . . . . . . . . 4022 1 302 . 1 1 43 43 SER C C 13 175.3 0.2 . 1 . . . . . . . . 4022 1 303 . 1 1 43 43 SER HA H 1 4.35 0.01 . 1 . . . . . . . . 4022 1 304 . 1 1 43 43 SER HB2 H 1 3.86 0.01 . 1 . . . . . . . . 4022 1 305 . 1 1 43 43 SER HB3 H 1 3.86 0.01 . 1 . . . . . . . . 4022 1 306 . 1 1 44 44 LEU H H 1 7.03 0.01 . 1 . . . . . . . . 4022 1 307 . 1 1 44 44 LEU N N 15 122.6 0.2 . 1 . . . . . . . . 4022 1 308 . 1 1 44 44 LEU CA C 13 55.1 0.2 . 1 . . . . . . . . 4022 1 309 . 1 1 44 44 LEU CB C 13 42.00 0.2 . 1 . . . . . . . . 4022 1 310 . 1 1 44 44 LEU C C 13 175.9 0.2 . 1 . . . . . . . . 4022 1 311 . 1 1 44 44 LEU HA H 1 3.98 0.01 . 1 . . . . . . . . 4022 1 312 . 1 1 44 44 LEU HB2 H 1 1.76 0.01 . 2 . . . . . . . . 4022 1 313 . 1 1 44 44 LEU HB3 H 1 1.11 0.01 . 2 . . . . . . . . 4022 1 314 . 1 1 45 45 LYS H H 1 7.42 0.01 . 1 . . . . . . . . 4022 1 315 . 1 1 45 45 LYS N N 15 124.4 0.2 . 1 . . . . . . . . 4022 1 316 . 1 1 45 45 LYS CA C 13 53.6 0.2 . 1 . . . . . . . . 4022 1 317 . 1 1 45 45 LYS CB C 13 31.8 0.2 . 1 . . . . . . . . 4022 1 318 . 1 1 45 45 LYS C C 13 173.6 0.2 . 1 . . . . . . . . 4022 1 319 . 1 1 45 45 LYS HA H 1 4.64 0.01 . 1 . . . . . . . . 4022 1 320 . 1 1 45 45 LYS HB2 H 1 1.71 0.01 . 1 . . . . . . . . 4022 1 321 . 1 1 45 45 LYS HB3 H 1 1.71 0.01 . 1 . . . . . . . . 4022 1 322 . 1 1 46 46 PRO CA C 13 63.00 0.2 . 1 . . . . . . . . 4022 1 323 . 1 1 46 46 PRO CB C 13 31.8 0.2 . 1 . . . . . . . . 4022 1 324 . 1 1 46 46 PRO C C 13 179.5 0.2 . 1 . . . . . . . . 4022 1 325 . 1 1 46 46 PRO HA H 1 4.62 0.01 . 1 . . . . . . . . 4022 1 326 . 1 1 46 46 PRO HB2 H 1 2.36 0.01 . 2 . . . . . . . . 4022 1 327 . 1 1 46 46 PRO HB3 H 1 1.72 0.01 . 2 . . . . . . . . 4022 1 328 . 1 1 47 47 ILE H H 1 8.55 0.01 . 1 . . . . . . . . 4022 1 329 . 1 1 47 47 ILE N N 15 120.6 0.2 . 1 . . . . . . . . 4022 1 330 . 1 1 47 47 ILE CA C 13 60.5 0.2 . 1 . . . . . . . . 4022 1 331 . 1 1 47 47 ILE CB C 13 38.8 0.2 . 1 . . . . . . . . 4022 1 332 . 1 1 47 47 ILE C C 13 175.1 0.2 . 1 . . . . . . . . 4022 1 333 . 1 1 47 47 ILE HA H 1 4.38 0.01 . 1 . . . . . . . . 4022 1 334 . 1 1 47 47 ILE HB H 1 1.58 0.01 . 1 . . . . . . . . 4022 1 335 . 1 1 48 48 SER H H 1 8.5 0.01 . 1 . . . . . . . . 4022 1 336 . 1 1 48 48 SER N N 15 118.9 0.2 . 1 . . . . . . . . 4022 1 337 . 1 1 48 48 SER CA C 13 56.5 0.2 . 1 . . . . . . . . 4022 1 338 . 1 1 48 48 SER CB C 13 64.4 0.2 . 1 . . . . . . . . 4022 1 339 . 1 1 48 48 SER C C 13 173.00 0.2 . 1 . . . . . . . . 4022 1 340 . 1 1 48 48 SER HA H 1 4.61 0.01 . 1 . . . . . . . . 4022 1 341 . 1 1 48 48 SER HB2 H 1 3.47 0.01 . 1 . . . . . . . . 4022 1 342 . 1 1 48 48 SER HB3 H 1 3.47 0.01 . 1 . . . . . . . . 4022 1 343 . 1 1 49 49 VAL H H 1 8.32 0.01 . 1 . . . . . . . . 4022 1 344 . 1 1 49 49 VAL N N 15 120.4 0.2 . 1 . . . . . . . . 4022 1 345 . 1 1 49 49 VAL CA C 13 59.2 0.2 . 1 . . . . . . . . 4022 1 346 . 1 1 49 49 VAL CB C 13 33.1 0.2 . 1 . . . . . . . . 4022 1 347 . 1 1 49 49 VAL C C 13 175.2 0.2 . 1 . . . . . . . . 4022 1 348 . 1 1 49 49 VAL HA H 1 4.42 0.01 . 1 . . . . . . . . 4022 1 349 . 1 1 49 49 VAL HB H 1 1.03 0.01 . 1 . . . . . . . . 4022 1 350 . 1 1 50 50 SER H H 1 7.98 0.01 . 1 . . . . . . . . 4022 1 351 . 1 1 50 50 SER N N 15 119.4 0.2 . 1 . . . . . . . . 4022 1 352 . 1 1 50 50 SER CA C 13 56.00 0.2 . 1 . . . . . . . . 4022 1 353 . 1 1 50 50 SER CB C 13 62.8 0.2 . 1 . . . . . . . . 4022 1 354 . 1 1 50 50 SER C C 13 172.7 0.2 . 1 . . . . . . . . 4022 1 355 . 1 1 50 50 SER HA H 1 4.39 0.01 . 1 . . . . . . . . 4022 1 356 . 1 1 50 50 SER HB2 H 1 3.78 0.01 . 2 . . . . . . . . 4022 1 357 . 1 1 50 50 SER HB3 H 1 3.49 0.01 . 2 . . . . . . . . 4022 1 358 . 1 1 51 51 TYR H H 1 9.00 0.01 . 1 . . . . . . . . 4022 1 359 . 1 1 51 51 TYR N N 15 125.1 0.2 . 1 . . . . . . . . 4022 1 360 . 1 1 51 51 TYR CA C 13 52.4 0.2 . 1 . . . . . . . . 4022 1 361 . 1 1 51 51 TYR CB C 13 38.00 0.2 . 1 . . . . . . . . 4022 1 362 . 1 1 51 51 TYR C C 13 174.2 0.2 . 1 . . . . . . . . 4022 1 363 . 1 1 51 51 TYR HA H 1 5.25 0.01 . 1 . . . . . . . . 4022 1 364 . 1 1 51 51 TYR HB2 H 1 3.27 0.01 . 2 . . . . . . . . 4022 1 365 . 1 1 51 51 TYR HB3 H 1 2.64 0.01 . 2 . . . . . . . . 4022 1 366 . 1 1 52 52 ASN H H 1 8.66 0.01 . 1 . . . . . . . . 4022 1 367 . 1 1 52 52 ASN N N 15 120.8 0.2 . 1 . . . . . . . . 4022 1 368 . 1 1 52 52 ASN CA C 13 49.2 0.2 . 1 . . . . . . . . 4022 1 369 . 1 1 52 52 ASN CB C 13 41.00 0.2 . 1 . . . . . . . . 4022 1 370 . 1 1 52 52 ASN C C 13 175.5 0.2 . 1 . . . . . . . . 4022 1 371 . 1 1 52 52 ASN HA H 1 5.29 0.01 . 1 . . . . . . . . 4022 1 372 . 1 1 53 53 PRO CA C 13 64.4 0.2 . 1 . . . . . . . . 4022 1 373 . 1 1 53 53 PRO CB C 13 32.00 0.2 . 1 . . . . . . . . 4022 1 374 . 1 1 53 53 PRO C C 13 177.3 0.2 . 1 . . . . . . . . 4022 1 375 . 1 1 53 53 PRO HA H 1 4.52 0.01 . 1 . . . . . . . . 4022 1 376 . 1 1 53 53 PRO HB2 H 1 2.05 0.01 . 1 . . . . . . . . 4022 1 377 . 1 1 53 53 PRO HB3 H 1 2.05 0.01 . 1 . . . . . . . . 4022 1 378 . 1 1 54 54 ALA H H 1 8.4 0.01 . 1 . . . . . . . . 4022 1 379 . 1 1 54 54 ALA N N 15 120.00 0.2 . 1 . . . . . . . . 4022 1 380 . 1 1 54 54 ALA CA C 13 53.8 0.2 . 1 . . . . . . . . 4022 1 381 . 1 1 54 54 ALA CB C 13 18.3 0.2 . 1 . . . . . . . . 4022 1 382 . 1 1 54 54 ALA C C 13 178.8 0.2 . 1 . . . . . . . . 4022 1 383 . 1 1 54 54 ALA HA H 1 4.6 0.01 . 1 . . . . . . . . 4022 1 384 . 1 1 54 54 ALA HB1 H 1 1.45 0.01 . 1 . . . . . . . . 4022 1 385 . 1 1 54 54 ALA HB2 H 1 1.45 0.01 . 1 . . . . . . . . 4022 1 386 . 1 1 54 54 ALA HB3 H 1 1.45 0.01 . 1 . . . . . . . . 4022 1 387 . 1 1 55 55 THR H H 1 8.17 0.01 . 1 . . . . . . . . 4022 1 388 . 1 1 55 55 THR N N 15 104.3 0.2 . 1 . . . . . . . . 4022 1 389 . 1 1 55 55 THR CA C 13 62.8 0.2 . 1 . . . . . . . . 4022 1 390 . 1 1 55 55 THR CB C 13 70.7 0.2 . 1 . . . . . . . . 4022 1 391 . 1 1 55 55 THR C C 13 175.3 0.2 . 1 . . . . . . . . 4022 1 392 . 1 1 55 55 THR HA H 1 4.36 0.01 . 1 . . . . . . . . 4022 1 393 . 1 1 55 55 THR HB H 1 5.03 0.01 . 1 . . . . . . . . 4022 1 394 . 1 1 56 56 ALA H H 1 7.39 0.01 . 1 . . . . . . . . 4022 1 395 . 1 1 56 56 ALA N N 15 127.5 0.2 . 1 . . . . . . . . 4022 1 396 . 1 1 56 56 ALA CA C 13 55.00 0.2 . 1 . . . . . . . . 4022 1 397 . 1 1 56 56 ALA CB C 13 17.9 0.2 . 1 . . . . . . . . 4022 1 398 . 1 1 56 56 ALA C C 13 176.00 0.2 . 1 . . . . . . . . 4022 1 399 . 1 1 56 56 ALA HA H 1 3.18 0.01 . 1 . . . . . . . . 4022 1 400 . 1 1 56 56 ALA HB1 H 1 1.51 0.01 . 1 . . . . . . . . 4022 1 401 . 1 1 56 56 ALA HB2 H 1 1.51 0.01 . 1 . . . . . . . . 4022 1 402 . 1 1 56 56 ALA HB3 H 1 1.51 0.01 . 1 . . . . . . . . 4022 1 403 . 1 1 57 57 LYS H H 1 8.18 0.01 . 1 . . . . . . . . 4022 1 404 . 1 1 57 57 LYS N N 15 123.2 0.2 . 1 . . . . . . . . 4022 1 405 . 1 1 57 57 LYS CA C 13 57.7 0.2 . 1 . . . . . . . . 4022 1 406 . 1 1 57 57 LYS CB C 13 37.00 0.2 . 1 . . . . . . . . 4022 1 407 . 1 1 57 57 LYS C C 13 177.1 0.2 . 1 . . . . . . . . 4022 1 408 . 1 1 57 57 LYS HA H 1 4.78 0.01 . 1 . . . . . . . . 4022 1 409 . 1 1 57 57 LYS HB2 H 1 1.67 0.01 . 1 . . . . . . . . 4022 1 410 . 1 1 57 57 LYS HB3 H 1 1.67 0.01 . 1 . . . . . . . . 4022 1 411 . 1 1 58 58 GLU H H 1 7.79 0.01 . 1 . . . . . . . . 4022 1 412 . 1 1 58 58 GLU N N 15 116.00 0.2 . 1 . . . . . . . . 4022 1 413 . 1 1 58 58 GLU CA C 13 55.4 0.2 . 1 . . . . . . . . 4022 1 414 . 1 1 58 58 GLU CB C 13 33.6 0.2 . 1 . . . . . . . . 4022 1 415 . 1 1 58 58 GLU C C 13 171.5 0.2 . 1 . . . . . . . . 4022 1 416 . 1 1 58 58 GLU HA H 1 5.22 0.01 . 1 . . . . . . . . 4022 1 417 . 1 1 58 58 GLU HB2 H 1 1.92 0.01 . 1 . . . . . . . . 4022 1 418 . 1 1 58 58 GLU HB3 H 1 1.92 0.01 . 1 . . . . . . . . 4022 1 419 . 1 1 59 59 ILE H H 1 9.18 0.01 . 1 . . . . . . . . 4022 1 420 . 1 1 59 59 ILE N N 15 123.1 0.2 . 1 . . . . . . . . 4022 1 421 . 1 1 59 59 ILE CA C 13 58.3 0.2 . 1 . . . . . . . . 4022 1 422 . 1 1 59 59 ILE CB C 13 42.3 0.2 . 1 . . . . . . . . 4022 1 423 . 1 1 59 59 ILE C C 13 172.8 0.2 . 1 . . . . . . . . 4022 1 424 . 1 1 59 59 ILE HA H 1 5.52 0.01 . 1 . . . . . . . . 4022 1 425 . 1 1 59 59 ILE HB H 1 1.07 0.01 . 1 . . . . . . . . 4022 1 426 . 1 1 60 60 ILE H H 1 8.8 0.01 . 1 . . . . . . . . 4022 1 427 . 1 1 60 60 ILE N N 15 122.9 0.2 . 1 . . . . . . . . 4022 1 428 . 1 1 60 60 ILE CA C 13 59.2 0.2 . 1 . . . . . . . . 4022 1 429 . 1 1 60 60 ILE CB C 13 43.00 0.2 . 1 . . . . . . . . 4022 1 430 . 1 1 60 60 ILE C C 13 174.00 0.2 . 1 . . . . . . . . 4022 1 431 . 1 1 60 60 ILE HA H 1 5.15 0.01 . 1 . . . . . . . . 4022 1 432 . 1 1 60 60 ILE HB H 1 1.54 0.01 . 1 . . . . . . . . 4022 1 433 . 1 1 61 61 ASN H H 1 8.37 0.01 . 1 . . . . . . . . 4022 1 434 . 1 1 61 61 ASN N N 15 125.4 0.2 . 1 . . . . . . . . 4022 1 435 . 1 1 61 61 ASN CA C 13 53.1 0.2 . 1 . . . . . . . . 4022 1 436 . 1 1 61 61 ASN CB C 13 38.2 0.2 . 1 . . . . . . . . 4022 1 437 . 1 1 61 61 ASN C C 13 176.7 0.2 . 1 . . . . . . . . 4022 1 438 . 1 1 61 61 ASN HA H 1 4.55 0.01 . 1 . . . . . . . . 4022 1 439 . 1 1 61 61 ASN HB2 H 1 3.12 0.01 . 1 . . . . . . . . 4022 1 440 . 1 1 61 61 ASN HB3 H 1 3.12 0.01 . 1 . . . . . . . . 4022 1 441 . 1 1 62 62 VAL H H 1 7.84 0.01 . 1 . . . . . . . . 4022 1 442 . 1 1 62 62 VAL N N 15 119.4 0.2 . 1 . . . . . . . . 4022 1 443 . 1 1 62 62 VAL CA C 13 59.8 0.2 . 1 . . . . . . . . 4022 1 444 . 1 1 62 62 VAL CB C 13 30.2 0.2 . 1 . . . . . . . . 4022 1 445 . 1 1 62 62 VAL C C 13 176.5 0.2 . 1 . . . . . . . . 4022 1 446 . 1 1 62 62 VAL HA H 1 4.52 0.01 . 1 . . . . . . . . 4022 1 447 . 1 1 62 62 VAL HB H 1 2.2 0.01 . 1 . . . . . . . . 4022 1 448 . 1 1 63 63 GLY H H 1 9.76 0.01 . 1 . . . . . . . . 4022 1 449 . 1 1 63 63 GLY N N 15 116.2 0.2 . 1 . . . . . . . . 4022 1 450 . 1 1 63 63 GLY CA C 13 47.1 0.2 . 1 . . . . . . . . 4022 1 451 . 1 1 63 63 GLY HA2 H 1 4.52 0.01 . 2 . . . . . . . . 4022 1 452 . 1 1 63 63 GLY HA3 H 1 3.42 0.01 . 2 . . . . . . . . 4022 1 453 . 1 1 64 64 HIS H H 1 6.86 0.01 . 1 . . . . . . . . 4022 1 454 . 1 1 64 64 HIS N N 15 113.5 0.2 . 1 . . . . . . . . 4022 1 455 . 1 1 64 64 HIS CA C 13 54.6 0.2 . 1 . . . . . . . . 4022 1 456 . 1 1 64 64 HIS CB C 13 31.00 0.2 . 1 . . . . . . . . 4022 1 457 . 1 1 64 64 HIS C C 13 174.2 0.2 . 1 . . . . . . . . 4022 1 458 . 1 1 64 64 HIS HA H 1 4.62 0.01 . 1 . . . . . . . . 4022 1 459 . 1 1 65 65 SER H H 1 6.74 0.01 . 1 . . . . . . . . 4022 1 460 . 1 1 65 65 SER N N 15 110.5 0.2 . 1 . . . . . . . . 4022 1 461 . 1 1 65 65 SER CA C 13 56.3 0.2 . 1 . . . . . . . . 4022 1 462 . 1 1 65 65 SER CB C 13 62.8 0.2 . 1 . . . . . . . . 4022 1 463 . 1 1 65 65 SER C C 13 174.2 0.2 . 1 . . . . . . . . 4022 1 464 . 1 1 65 65 SER HA H 1 4.31 0.01 . 1 . . . . . . . . 4022 1 465 . 1 1 66 66 PHE H H 1 7.87 0.01 . 1 . . . . . . . . 4022 1 466 . 1 1 66 66 PHE N N 15 113.7 0.2 . 1 . . . . . . . . 4022 1 467 . 1 1 66 66 PHE CA C 13 55.8 0.2 . 1 . . . . . . . . 4022 1 468 . 1 1 66 66 PHE CB C 13 42.4 0.2 . 1 . . . . . . . . 4022 1 469 . 1 1 66 66 PHE C C 13 172.8 0.2 . 1 . . . . . . . . 4022 1 470 . 1 1 66 66 PHE HA H 1 5.5 0.01 . 1 . . . . . . . . 4022 1 471 . 1 1 66 66 PHE HB2 H 1 2.73 0.01 . 1 . . . . . . . . 4022 1 472 . 1 1 66 66 PHE HB3 H 1 2.73 0.01 . 1 . . . . . . . . 4022 1 473 . 1 1 67 67 HIS H H 1 9.12 0.01 . 1 . . . . . . . . 4022 1 474 . 1 1 67 67 HIS N N 15 120.9 0.2 . 1 . . . . . . . . 4022 1 475 . 1 1 67 67 HIS CA C 13 52.2 0.2 . 1 . . . . . . . . 4022 1 476 . 1 1 67 67 HIS CB C 13 35.2 0.2 . 1 . . . . . . . . 4022 1 477 . 1 1 67 67 HIS C C 13 173.8 0.2 . 1 . . . . . . . . 4022 1 478 . 1 1 67 67 HIS HA H 1 5.03 0.01 . 1 . . . . . . . . 4022 1 479 . 1 1 67 67 HIS HB2 H 1 2.88 0.01 . 1 . . . . . . . . 4022 1 480 . 1 1 67 67 HIS HB3 H 1 2.88 0.01 . 1 . . . . . . . . 4022 1 481 . 1 1 68 68 VAL H H 1 8.04 0.01 . 1 . . . . . . . . 4022 1 482 . 1 1 68 68 VAL N N 15 120.9 0.2 . 1 . . . . . . . . 4022 1 483 . 1 1 68 68 VAL CA C 13 61.4 0.2 . 1 . . . . . . . . 4022 1 484 . 1 1 68 68 VAL CB C 13 30.4 0.2 . 1 . . . . . . . . 4022 1 485 . 1 1 68 68 VAL C C 13 174.8 0.2 . 1 . . . . . . . . 4022 1 486 . 1 1 68 68 VAL HA H 1 4.55 0.01 . 1 . . . . . . . . 4022 1 487 . 1 1 68 68 VAL HB H 1 0.34 0.01 . 1 . . . . . . . . 4022 1 488 . 1 1 69 69 ASN H H 1 8.88 0.01 . 1 . . . . . . . . 4022 1 489 . 1 1 69 69 ASN N N 15 123.5 0.2 . 1 . . . . . . . . 4022 1 490 . 1 1 69 69 ASN CA C 13 52.3 0.2 . 1 . . . . . . . . 4022 1 491 . 1 1 69 69 ASN CB C 13 41.5 0.2 . 1 . . . . . . . . 4022 1 492 . 1 1 69 69 ASN C C 13 175.1 0.2 . 1 . . . . . . . . 4022 1 493 . 1 1 69 69 ASN HA H 1 5.76 0.01 . 1 . . . . . . . . 4022 1 494 . 1 1 69 69 ASN HB2 H 1 3.00 0.01 . 2 . . . . . . . . 4022 1 495 . 1 1 69 69 ASN HB3 H 1 2.66 0.01 . 2 . . . . . . . . 4022 1 496 . 1 1 70 70 PHE H H 1 8.22 0.01 . 1 . . . . . . . . 4022 1 497 . 1 1 70 70 PHE N N 15 119.4 0.2 . 1 . . . . . . . . 4022 1 498 . 1 1 70 70 PHE CA C 13 56.4 0.2 . 1 . . . . . . . . 4022 1 499 . 1 1 70 70 PHE CB C 13 41.8 0.2 . 1 . . . . . . . . 4022 1 500 . 1 1 70 70 PHE C C 13 176.00 0.2 . 1 . . . . . . . . 4022 1 501 . 1 1 70 70 PHE HA H 1 4.93 0.01 . 1 . . . . . . . . 4022 1 502 . 1 1 70 70 PHE HB2 H 1 2.48 0.01 . 1 . . . . . . . . 4022 1 503 . 1 1 70 70 PHE HB3 H 1 2.48 0.01 . 1 . . . . . . . . 4022 1 504 . 1 1 71 71 GLU H H 1 9.77 0.01 . 1 . . . . . . . . 4022 1 505 . 1 1 71 71 GLU N N 15 122.7 0.2 . 1 . . . . . . . . 4022 1 506 . 1 1 71 71 GLU CA C 13 57.7 0.2 . 1 . . . . . . . . 4022 1 507 . 1 1 71 71 GLU CB C 13 30.8 0.2 . 1 . . . . . . . . 4022 1 508 . 1 1 71 71 GLU C C 13 177.9 0.2 . 1 . . . . . . . . 4022 1 509 . 1 1 71 71 GLU HA H 1 4.39 0.01 . 1 . . . . . . . . 4022 1 510 . 1 1 71 71 GLU HB2 H 1 2.23 0.01 . 1 . . . . . . . . 4022 1 511 . 1 1 71 71 GLU HB3 H 1 2.23 0.01 . 1 . . . . . . . . 4022 1 512 . 1 1 72 72 ASP H H 1 8.97 0.01 . 1 . . . . . . . . 4022 1 513 . 1 1 72 72 ASP N N 15 128.3 0.2 . 1 . . . . . . . . 4022 1 514 . 1 1 72 72 ASP CA C 13 53.5 0.2 . 1 . . . . . . . . 4022 1 515 . 1 1 72 72 ASP CB C 13 40.7 0.2 . 1 . . . . . . . . 4022 1 516 . 1 1 72 72 ASP C C 13 175.6 0.2 . 1 . . . . . . . . 4022 1 517 . 1 1 72 72 ASP HA H 1 5.08 0.01 . 1 . . . . . . . . 4022 1 518 . 1 1 73 73 ASN H H 1 8.18 0.01 . 1 . . . . . . . . 4022 1 519 . 1 1 73 73 ASN N N 15 117.4 0.2 . 1 . . . . . . . . 4022 1 520 . 1 1 73 73 ASN CA C 13 54.1 0.2 . 1 . . . . . . . . 4022 1 521 . 1 1 73 73 ASN CB C 13 39.1 0.2 . 1 . . . . . . . . 4022 1 522 . 1 1 73 73 ASN C C 13 174.2 0.2 . 1 . . . . . . . . 4022 1 523 . 1 1 73 73 ASN HA H 1 4.84 0.01 . 1 . . . . . . . . 4022 1 524 . 1 1 73 73 ASN HB2 H 1 2.9 0.01 . 1 . . . . . . . . 4022 1 525 . 1 1 73 73 ASN HB3 H 1 2.9 0.01 . 1 . . . . . . . . 4022 1 526 . 1 1 74 74 ASP H H 1 8.14 0.01 . 1 . . . . . . . . 4022 1 527 . 1 1 74 74 ASP N N 15 119.4 0.2 . 1 . . . . . . . . 4022 1 528 . 1 1 74 74 ASP CA C 13 52.8 0.2 . 1 . . . . . . . . 4022 1 529 . 1 1 74 74 ASP CB C 13 41.5 0.2 . 1 . . . . . . . . 4022 1 530 . 1 1 74 74 ASP C C 13 175.3 0.2 . 1 . . . . . . . . 4022 1 531 . 1 1 74 74 ASP HA H 1 4.49 0.01 . 1 . . . . . . . . 4022 1 532 . 1 1 75 75 ASN H H 1 8.2 0.01 . 1 . . . . . . . . 4022 1 533 . 1 1 75 75 ASN N N 15 116.4 0.2 . 1 . . . . . . . . 4022 1 534 . 1 1 75 75 ASN CA C 13 52.1 0.2 . 1 . . . . . . . . 4022 1 535 . 1 1 75 75 ASN CB C 13 37.5 0.2 . 1 . . . . . . . . 4022 1 536 . 1 1 75 75 ASN C C 13 174.1 0.2 . 1 . . . . . . . . 4022 1 537 . 1 1 75 75 ASN HA H 1 4.77 0.01 . 1 . . . . . . . . 4022 1 538 . 1 1 76 76 ARG H H 1 7.53 0.01 . 1 . . . . . . . . 4022 1 539 . 1 1 76 76 ARG N N 15 119.4 0.2 . 1 . . . . . . . . 4022 1 540 . 1 1 76 76 ARG CA C 13 60.4 0.2 . 1 . . . . . . . . 4022 1 541 . 1 1 76 76 ARG CB C 13 32.1 0.2 . 1 . . . . . . . . 4022 1 542 . 1 1 76 76 ARG C C 13 177.7 0.2 . 1 . . . . . . . . 4022 1 543 . 1 1 76 76 ARG HA H 1 4.00 0.01 . 1 . . . . . . . . 4022 1 544 . 1 1 77 77 SER H H 1 9.91 0.01 . 1 . . . . . . . . 4022 1 545 . 1 1 77 77 SER N N 15 117.00 0.2 . 1 . . . . . . . . 4022 1 546 . 1 1 77 77 SER CA C 13 55.9 0.2 . 1 . . . . . . . . 4022 1 547 . 1 1 77 77 SER CB C 13 65.6 0.2 . 1 . . . . . . . . 4022 1 548 . 1 1 77 77 SER C C 13 173.6 0.2 . 1 . . . . . . . . 4022 1 549 . 1 1 77 77 SER HA H 1 6.09 0.01 . 1 . . . . . . . . 4022 1 550 . 1 1 78 78 VAL H H 1 8.52 0.01 . 1 . . . . . . . . 4022 1 551 . 1 1 78 78 VAL N N 15 117.3 0.2 . 1 . . . . . . . . 4022 1 552 . 1 1 78 78 VAL CA C 13 58.9 0.2 . 1 . . . . . . . . 4022 1 553 . 1 1 78 78 VAL CB C 13 37.7 0.2 . 1 . . . . . . . . 4022 1 554 . 1 1 78 78 VAL C C 13 173.1 0.2 . 1 . . . . . . . . 4022 1 555 . 1 1 78 78 VAL HA H 1 5.57 0.01 . 1 . . . . . . . . 4022 1 556 . 1 1 78 78 VAL HB H 1 1.93 0.01 . 1 . . . . . . . . 4022 1 557 . 1 1 79 79 LEU H H 1 8.94 0.01 . 1 . . . . . . . . 4022 1 558 . 1 1 79 79 LEU N N 15 124.6 0.2 . 1 . . . . . . . . 4022 1 559 . 1 1 79 79 LEU CA C 13 53.4 0.2 . 1 . . . . . . . . 4022 1 560 . 1 1 79 79 LEU CB C 13 45.7 0.2 . 1 . . . . . . . . 4022 1 561 . 1 1 79 79 LEU C C 13 173.8 0.2 . 1 . . . . . . . . 4022 1 562 . 1 1 79 79 LEU HA H 1 4.74 0.01 . 1 . . . . . . . . 4022 1 563 . 1 1 80 80 LYS H H 1 8.66 0.01 . 1 . . . . . . . . 4022 1 564 . 1 1 80 80 LYS N N 15 122.6 0.2 . 1 . . . . . . . . 4022 1 565 . 1 1 80 80 LYS CA C 13 54.6 0.2 . 1 . . . . . . . . 4022 1 566 . 1 1 80 80 LYS CB C 13 36.6 0.2 . 1 . . . . . . . . 4022 1 567 . 1 1 80 80 LYS C C 13 174.8 0.2 . 1 . . . . . . . . 4022 1 568 . 1 1 80 80 LYS HA H 1 4.71 0.01 . 1 . . . . . . . . 4022 1 569 . 1 1 80 80 LYS HB2 H 1 1.85 0.01 . 2 . . . . . . . . 4022 1 570 . 1 1 80 80 LYS HB3 H 1 1.66 0.01 . 2 . . . . . . . . 4022 1 571 . 1 1 81 81 GLY H H 1 8.7 0.01 . 1 . . . . . . . . 4022 1 572 . 1 1 81 81 GLY N N 15 105.8 0.2 . 1 . . . . . . . . 4022 1 573 . 1 1 81 81 GLY CA C 13 43.9 0.2 . 1 . . . . . . . . 4022 1 574 . 1 1 81 81 GLY C C 13 174.00 0.2 . 1 . . . . . . . . 4022 1 575 . 1 1 81 81 GLY HA2 H 1 4.47 0.01 . 2 . . . . . . . . 4022 1 576 . 1 1 81 81 GLY HA3 H 1 3.49 0.01 . 2 . . . . . . . . 4022 1 577 . 1 1 82 82 GLY H H 1 6.99 0.01 . 1 . . . . . . . . 4022 1 578 . 1 1 82 82 GLY N N 15 109.4 0.2 . 1 . . . . . . . . 4022 1 579 . 1 1 82 82 GLY CA C 13 44.6 0.2 . 1 . . . . . . . . 4022 1 580 . 1 1 82 82 GLY HA2 H 1 4.45 0.01 . 2 . . . . . . . . 4022 1 581 . 1 1 82 82 GLY HA3 H 1 3.45 0.01 . 2 . . . . . . . . 4022 1 582 . 1 1 83 83 PRO CA C 13 62.7 0.2 . 1 . . . . . . . . 4022 1 583 . 1 1 83 83 PRO CB C 13 32.1 0.2 . 1 . . . . . . . . 4022 1 584 . 1 1 83 83 PRO C C 13 175.4 0.2 . 1 . . . . . . . . 4022 1 585 . 1 1 83 83 PRO HA H 1 4.57 0.01 . 1 . . . . . . . . 4022 1 586 . 1 1 83 83 PRO HB2 H 1 1.89 0.01 . 2 . . . . . . . . 4022 1 587 . 1 1 83 83 PRO HB3 H 1 1.65 0.01 . 2 . . . . . . . . 4022 1 588 . 1 1 84 84 PHE H H 1 7.7 0.01 . 1 . . . . . . . . 4022 1 589 . 1 1 84 84 PHE N N 15 120.9 0.2 . 1 . . . . . . . . 4022 1 590 . 1 1 84 84 PHE CA C 13 57.6 0.2 . 1 . . . . . . . . 4022 1 591 . 1 1 84 84 PHE CB C 13 39.9 0.2 . 1 . . . . . . . . 4022 1 592 . 1 1 84 84 PHE C C 13 176.1 0.2 . 1 . . . . . . . . 4022 1 593 . 1 1 84 84 PHE HA H 1 4.88 0.01 . 1 . . . . . . . . 4022 1 594 . 1 1 84 84 PHE HB2 H 1 3.63 0.01 . 2 . . . . . . . . 4022 1 595 . 1 1 84 84 PHE HB3 H 1 3.3 0.01 . 2 . . . . . . . . 4022 1 596 . 1 1 85 85 SER H H 1 9.11 0.01 . 1 . . . . . . . . 4022 1 597 . 1 1 85 85 SER N N 15 118.1 0.2 . 1 . . . . . . . . 4022 1 598 . 1 1 85 85 SER CA C 13 59.1 0.2 . 1 . . . . . . . . 4022 1 599 . 1 1 85 85 SER CB C 13 64.00 0.2 . 1 . . . . . . . . 4022 1 600 . 1 1 85 85 SER C C 13 173.6 0.2 . 1 . . . . . . . . 4022 1 601 . 1 1 85 85 SER HA H 1 4.57 0.01 . 1 . . . . . . . . 4022 1 602 . 1 1 85 85 SER HB2 H 1 3.87 0.01 . 1 . . . . . . . . 4022 1 603 . 1 1 85 85 SER HB3 H 1 3.87 0.01 . 1 . . . . . . . . 4022 1 604 . 1 1 86 86 ASP H H 1 7.64 0.01 . 1 . . . . . . . . 4022 1 605 . 1 1 86 86 ASP N N 15 122.2 0.2 . 1 . . . . . . . . 4022 1 606 . 1 1 86 86 ASP CA C 13 53.4 0.2 . 1 . . . . . . . . 4022 1 607 . 1 1 86 86 ASP CB C 13 44.00 0.2 . 1 . . . . . . . . 4022 1 608 . 1 1 86 86 ASP C C 13 174.6 0.2 . 1 . . . . . . . . 4022 1 609 . 1 1 86 86 ASP HA H 1 4.81 0.01 . 1 . . . . . . . . 4022 1 610 . 1 1 86 86 ASP HB2 H 1 2.63 0.01 . 2 . . . . . . . . 4022 1 611 . 1 1 86 86 ASP HB3 H 1 2.28 0.01 . 2 . . . . . . . . 4022 1 612 . 1 1 87 87 SER H H 1 7.71 0.01 . 1 . . . . . . . . 4022 1 613 . 1 1 87 87 SER N N 15 113.8 0.2 . 1 . . . . . . . . 4022 1 614 . 1 1 87 87 SER CA C 13 57.7 0.2 . 1 . . . . . . . . 4022 1 615 . 1 1 87 87 SER CB C 13 64.5 0.2 . 1 . . . . . . . . 4022 1 616 . 1 1 87 87 SER C C 13 172.7 0.2 . 1 . . . . . . . . 4022 1 617 . 1 1 87 87 SER HA H 1 4.84 0.01 . 1 . . . . . . . . 4022 1 618 . 1 1 87 87 SER HB2 H 1 3.58 0.01 . 1 . . . . . . . . 4022 1 619 . 1 1 87 87 SER HB3 H 1 3.58 0.01 . 1 . . . . . . . . 4022 1 620 . 1 1 88 88 TYR H H 1 8.67 0.01 . 1 . . . . . . . . 4022 1 621 . 1 1 88 88 TYR N N 15 120.9 0.2 . 1 . . . . . . . . 4022 1 622 . 1 1 88 88 TYR CA C 13 56.2 0.2 . 1 . . . . . . . . 4022 1 623 . 1 1 88 88 TYR CB C 13 41.4 0.2 . 1 . . . . . . . . 4022 1 624 . 1 1 88 88 TYR C C 13 174.6 0.2 . 1 . . . . . . . . 4022 1 625 . 1 1 88 88 TYR HA H 1 4.72 0.01 . 1 . . . . . . . . 4022 1 626 . 1 1 88 88 TYR HB2 H 1 2.27 0.01 . 1 . . . . . . . . 4022 1 627 . 1 1 88 88 TYR HB3 H 1 2.27 0.01 . 1 . . . . . . . . 4022 1 628 . 1 1 89 89 ARG H H 1 9.04 0.01 . 1 . . . . . . . . 4022 1 629 . 1 1 89 89 ARG N N 15 123.3 0.2 . 1 . . . . . . . . 4022 1 630 . 1 1 89 89 ARG CA C 13 55.5 0.2 . 1 . . . . . . . . 4022 1 631 . 1 1 89 89 ARG CB C 13 32.5 0.2 . 1 . . . . . . . . 4022 1 632 . 1 1 89 89 ARG C C 13 176.6 0.2 . 1 . . . . . . . . 4022 1 633 . 1 1 89 89 ARG HA H 1 4.71 0.01 . 1 . . . . . . . . 4022 1 634 . 1 1 90 90 LEU H H 1 8.06 0.01 . 1 . . . . . . . . 4022 1 635 . 1 1 90 90 LEU N N 15 128.4 0.2 . 1 . . . . . . . . 4022 1 636 . 1 1 90 90 LEU CA C 13 56.2 0.2 . 1 . . . . . . . . 4022 1 637 . 1 1 90 90 LEU CB C 13 41.9 0.2 . 1 . . . . . . . . 4022 1 638 . 1 1 90 90 LEU C C 13 175.8 0.2 . 1 . . . . . . . . 4022 1 639 . 1 1 90 90 LEU HA H 1 3.92 0.01 . 1 . . . . . . . . 4022 1 640 . 1 1 91 91 PHE H H 1 8.82 0.01 . 1 . . . . . . . . 4022 1 641 . 1 1 91 91 PHE N N 15 118.1 0.2 . 1 . . . . . . . . 4022 1 642 . 1 1 91 91 PHE CA C 13 57.8 0.2 . 1 . . . . . . . . 4022 1 643 . 1 1 91 91 PHE CB C 13 41.9 0.2 . 1 . . . . . . . . 4022 1 644 . 1 1 91 91 PHE C C 13 174.5 0.2 . 1 . . . . . . . . 4022 1 645 . 1 1 91 91 PHE HA H 1 5.49 0.01 . 1 . . . . . . . . 4022 1 646 . 1 1 91 91 PHE HB2 H 1 3.69 0.01 . 2 . . . . . . . . 4022 1 647 . 1 1 91 91 PHE HB3 H 1 3.25 0.01 . 2 . . . . . . . . 4022 1 648 . 1 1 92 92 GLN H H 1 6.99 0.01 . 1 . . . . . . . . 4022 1 649 . 1 1 92 92 GLN N N 15 121.9 0.2 . 1 . . . . . . . . 4022 1 650 . 1 1 92 92 GLN CA C 13 56.00 0.2 . 1 . . . . . . . . 4022 1 651 . 1 1 92 92 GLN CB C 13 35.8 0.2 . 1 . . . . . . . . 4022 1 652 . 1 1 92 92 GLN C C 13 174.5 0.2 . 1 . . . . . . . . 4022 1 653 . 1 1 92 92 GLN HA H 1 5.99 0.01 . 1 . . . . . . . . 4022 1 654 . 1 1 93 93 PHE H H 1 8.96 0.01 . 1 . . . . . . . . 4022 1 655 . 1 1 93 93 PHE N N 15 116.9 0.2 . 1 . . . . . . . . 4022 1 656 . 1 1 93 93 PHE CA C 13 57.1 0.2 . 1 . . . . . . . . 4022 1 657 . 1 1 93 93 PHE CB C 13 44.00 0.2 . 1 . . . . . . . . 4022 1 658 . 1 1 93 93 PHE C C 13 172.1 0.2 . 1 . . . . . . . . 4022 1 659 . 1 1 93 93 PHE HA H 1 5.64 0.01 . 1 . . . . . . . . 4022 1 660 . 1 1 93 93 PHE HB2 H 1 3.42 0.01 . 2 . . . . . . . . 4022 1 661 . 1 1 93 93 PHE HB3 H 1 2.67 0.01 . 2 . . . . . . . . 4022 1 662 . 1 1 94 94 HIS H H 1 8.8 0.01 . 1 . . . . . . . . 4022 1 663 . 1 1 94 94 HIS N N 15 114.8 0.2 . 1 . . . . . . . . 4022 1 664 . 1 1 94 94 HIS CA C 13 55.3 0.2 . 1 . . . . . . . . 4022 1 665 . 1 1 94 94 HIS CB C 13 32.00 0.2 . 1 . . . . . . . . 4022 1 666 . 1 1 94 94 HIS C C 13 170.5 0.2 . 1 . . . . . . . . 4022 1 667 . 1 1 94 94 HIS HA H 1 4.33 0.01 . 1 . . . . . . . . 4022 1 668 . 1 1 95 95 PHE H H 1 9.8 0.01 . 1 . . . . . . . . 4022 1 669 . 1 1 95 95 PHE N N 15 117.3 0.2 . 1 . . . . . . . . 4022 1 670 . 1 1 95 95 PHE CA C 13 55.9 0.2 . 1 . . . . . . . . 4022 1 671 . 1 1 95 95 PHE CB C 13 42.8 0.2 . 1 . . . . . . . . 4022 1 672 . 1 1 95 95 PHE C C 13 175.00 0.2 . 1 . . . . . . . . 4022 1 673 . 1 1 95 95 PHE HA H 1 5.68 0.01 . 1 . . . . . . . . 4022 1 674 . 1 1 96 96 HIS H H 1 9.37 0.01 . 1 . . . . . . . . 4022 1 675 . 1 1 96 96 HIS N N 15 116.4 0.2 . 1 . . . . . . . . 4022 1 676 . 1 1 96 96 HIS CA C 13 53.7 0.2 . 1 . . . . . . . . 4022 1 677 . 1 1 96 96 HIS CB C 13 32.3 0.2 . 1 . . . . . . . . 4022 1 678 . 1 1 96 96 HIS C C 13 172.7 0.2 . 1 . . . . . . . . 4022 1 679 . 1 1 96 96 HIS HA H 1 5.02 0.01 . 1 . . . . . . . . 4022 1 680 . 1 1 96 96 HIS HB2 H 1 2.57 0.01 . 1 . . . . . . . . 4022 1 681 . 1 1 96 96 HIS HB3 H 1 2.57 0.01 . 1 . . . . . . . . 4022 1 682 . 1 1 97 97 TRP H H 1 8.99 0.01 . 1 . . . . . . . . 4022 1 683 . 1 1 97 97 TRP N N 15 118.3 0.2 . 1 . . . . . . . . 4022 1 684 . 1 1 97 97 TRP CA C 13 57.4 0.2 . 1 . . . . . . . . 4022 1 685 . 1 1 97 97 TRP CB C 13 30.6 0.2 . 1 . . . . . . . . 4022 1 686 . 1 1 97 97 TRP C C 13 173.00 0.2 . 1 . . . . . . . . 4022 1 687 . 1 1 97 97 TRP HA H 1 5.09 0.01 . 1 . . . . . . . . 4022 1 688 . 1 1 97 97 TRP HB2 H 1 3.39 0.01 . 1 . . . . . . . . 4022 1 689 . 1 1 97 97 TRP HB3 H 1 3.39 0.01 . 1 . . . . . . . . 4022 1 690 . 1 1 98 98 GLY H H 1 9.1 0.01 . 1 . . . . . . . . 4022 1 691 . 1 1 98 98 GLY N N 15 107.9 0.2 . 1 . . . . . . . . 4022 1 692 . 1 1 98 98 GLY CA C 13 43.00 0.2 . 1 . . . . . . . . 4022 1 693 . 1 1 98 98 GLY C C 13 173.9 0.2 . 1 . . . . . . . . 4022 1 694 . 1 1 98 98 GLY HA2 H 1 5.09 0.01 . 2 . . . . . . . . 4022 1 695 . 1 1 98 98 GLY HA3 H 1 4.27 0.01 . 2 . . . . . . . . 4022 1 696 . 1 1 99 99 SER H H 1 8.83 0.01 . 1 . . . . . . . . 4022 1 697 . 1 1 99 99 SER N N 15 114.9 0.2 . 1 . . . . . . . . 4022 1 698 . 1 1 99 99 SER CA C 13 61.1 0.2 . 1 . . . . . . . . 4022 1 699 . 1 1 99 99 SER CB C 13 63.4 0.2 . 1 . . . . . . . . 4022 1 700 . 1 1 99 99 SER C C 13 174.4 0.2 . 1 . . . . . . . . 4022 1 701 . 1 1 99 99 SER HA H 1 4.52 0.01 . 1 . . . . . . . . 4022 1 702 . 1 1 99 99 SER HB2 H 1 3.87 0.01 . 1 . . . . . . . . 4022 1 703 . 1 1 99 99 SER HB3 H 1 3.87 0.01 . 1 . . . . . . . . 4022 1 704 . 1 1 100 100 THR H H 1 7.97 0.01 . 1 . . . . . . . . 4022 1 705 . 1 1 100 100 THR N N 15 109.00 0.2 . 1 . . . . . . . . 4022 1 706 . 1 1 100 100 THR CA C 13 58.8 0.2 . 1 . . . . . . . . 4022 1 707 . 1 1 100 100 THR CB C 13 71.6 0.2 . 1 . . . . . . . . 4022 1 708 . 1 1 100 100 THR C C 13 176.1 0.2 . 1 . . . . . . . . 4022 1 709 . 1 1 100 100 THR HA H 1 4.61 0.01 . 1 . . . . . . . . 4022 1 710 . 1 1 101 101 ASN H H 1 9.14 0.01 . 1 . . . . . . . . 4022 1 711 . 1 1 101 101 ASN N N 15 118.9 0.2 . 1 . . . . . . . . 4022 1 712 . 1 1 101 101 ASN CA C 13 54.8 0.2 . 1 . . . . . . . . 4022 1 713 . 1 1 101 101 ASN CB C 13 37.5 0.2 . 1 . . . . . . . . 4022 1 714 . 1 1 101 101 ASN C C 13 175.4 0.2 . 1 . . . . . . . . 4022 1 715 . 1 1 101 101 ASN HA H 1 4.37 0.01 . 1 . . . . . . . . 4022 1 716 . 1 1 102 102 GLU H H 1 8.15 0.01 . 1 . . . . . . . . 4022 1 717 . 1 1 102 102 GLU N N 15 116.9 0.2 . 1 . . . . . . . . 4022 1 718 . 1 1 102 102 GLU CA C 13 58.5 0.2 . 1 . . . . . . . . 4022 1 719 . 1 1 102 102 GLU CB C 13 29.7 0.2 . 1 . . . . . . . . 4022 1 720 . 1 1 102 102 GLU C C 13 176.00 0.2 . 1 . . . . . . . . 4022 1 721 . 1 1 102 102 GLU HA H 1 4.00 0.01 . 1 . . . . . . . . 4022 1 722 . 1 1 102 102 GLU HB2 H 1 1.77 0.01 . 1 . . . . . . . . 4022 1 723 . 1 1 102 102 GLU HB3 H 1 1.77 0.01 . 1 . . . . . . . . 4022 1 724 . 1 1 103 103 HIS H H 1 7.05 0.01 . 1 . . . . . . . . 4022 1 725 . 1 1 103 103 HIS N N 15 113.7 0.2 . 1 . . . . . . . . 4022 1 726 . 1 1 103 103 HIS CA C 13 53.9 0.2 . 1 . . . . . . . . 4022 1 727 . 1 1 103 103 HIS CB C 13 31.6 0.2 . 1 . . . . . . . . 4022 1 728 . 1 1 103 103 HIS C C 13 173.00 0.2 . 1 . . . . . . . . 4022 1 729 . 1 1 103 103 HIS HA H 1 4.92 0.01 . 1 . . . . . . . . 4022 1 730 . 1 1 103 103 HIS HB2 H 1 3.05 0.01 . 1 . . . . . . . . 4022 1 731 . 1 1 103 103 HIS HB3 H 1 3.05 0.01 . 1 . . . . . . . . 4022 1 732 . 1 1 104 104 GLY H H 1 9.18 0.01 . 1 . . . . . . . . 4022 1 733 . 1 1 104 104 GLY N N 15 111.6 0.2 . 1 . . . . . . . . 4022 1 734 . 1 1 104 104 GLY CA C 13 46.7 0.2 . 1 . . . . . . . . 4022 1 735 . 1 1 104 104 GLY C C 13 171.3 0.2 . 1 . . . . . . . . 4022 1 736 . 1 1 104 104 GLY HA2 H 1 4.1 0.01 . 1 . . . . . . . . 4022 1 737 . 1 1 104 104 GLY HA3 H 1 4.1 0.01 . 1 . . . . . . . . 4022 1 738 . 1 1 105 105 SER H H 1 7.4 0.01 . 1 . . . . . . . . 4022 1 739 . 1 1 105 105 SER N N 15 110.7 0.2 . 1 . . . . . . . . 4022 1 740 . 1 1 105 105 SER CA C 13 58.2 0.2 . 1 . . . . . . . . 4022 1 741 . 1 1 105 105 SER CB C 13 63.7 0.2 . 1 . . . . . . . . 4022 1 742 . 1 1 105 105 SER C C 13 171.8 0.2 . 1 . . . . . . . . 4022 1 743 . 1 1 105 105 SER HA H 1 4.11 0.01 . 1 . . . . . . . . 4022 1 744 . 1 1 106 106 GLU H H 1 8.37 0.01 . 1 . . . . . . . . 4022 1 745 . 1 1 106 106 GLU N N 15 117.8 0.2 . 1 . . . . . . . . 4022 1 746 . 1 1 106 106 GLU CA C 13 58.6 0.2 . 1 . . . . . . . . 4022 1 747 . 1 1 106 106 GLU CB C 13 30.1 0.2 . 1 . . . . . . . . 4022 1 748 . 1 1 106 106 GLU C C 13 176.8 0.2 . 1 . . . . . . . . 4022 1 749 . 1 1 106 106 GLU HA H 1 4.41 0.01 . 1 . . . . . . . . 4022 1 750 . 1 1 107 107 HIS H H 1 10.8 0.01 . 1 . . . . . . . . 4022 1 751 . 1 1 107 107 HIS N N 15 118.6 0.2 . 1 . . . . . . . . 4022 1 752 . 1 1 107 107 HIS CA C 13 60.3 0.2 . 1 . . . . . . . . 4022 1 753 . 1 1 107 107 HIS CB C 13 28.6 0.2 . 1 . . . . . . . . 4022 1 754 . 1 1 107 107 HIS C C 13 173.4 0.2 . 1 . . . . . . . . 4022 1 755 . 1 1 107 107 HIS HA H 1 4.09 0.01 . 1 . . . . . . . . 4022 1 756 . 1 1 108 108 THR H H 1 7.49 0.01 . 1 . . . . . . . . 4022 1 757 . 1 1 108 108 THR N N 15 109.8 0.2 . 1 . . . . . . . . 4022 1 758 . 1 1 108 108 THR CA C 13 59.6 0.2 . 1 . . . . . . . . 4022 1 759 . 1 1 108 108 THR CB C 13 71.1 0.2 . 1 . . . . . . . . 4022 1 760 . 1 1 108 108 THR HA H 1 4.76 0.01 . 1 . . . . . . . . 4022 1 761 . 1 1 108 108 THR HB H 1 3.78 0.01 . 1 . . . . . . . . 4022 1 762 . 1 1 109 109 VAL H H 1 7.65 0.01 . 1 . . . . . . . . 4022 1 763 . 1 1 109 109 VAL N N 15 117.9 0.2 . 1 . . . . . . . . 4022 1 764 . 1 1 109 109 VAL CA C 13 61.2 0.2 . 1 . . . . . . . . 4022 1 765 . 1 1 109 109 VAL CB C 13 34.2 0.2 . 1 . . . . . . . . 4022 1 766 . 1 1 109 109 VAL C C 13 177.2 0.2 . 1 . . . . . . . . 4022 1 767 . 1 1 109 109 VAL HA H 1 4.63 0.01 . 1 . . . . . . . . 4022 1 768 . 1 1 109 109 VAL HB H 1 2.06 0.01 . 1 . . . . . . . . 4022 1 769 . 1 1 110 110 ASP H H 1 10.00 0.01 . 1 . . . . . . . . 4022 1 770 . 1 1 110 110 ASP N N 15 131.1 0.2 . 1 . . . . . . . . 4022 1 771 . 1 1 110 110 ASP CA C 13 56.5 0.2 . 1 . . . . . . . . 4022 1 772 . 1 1 110 110 ASP CB C 13 39.3 0.2 . 1 . . . . . . . . 4022 1 773 . 1 1 110 110 ASP C C 13 176.1 0.2 . 1 . . . . . . . . 4022 1 774 . 1 1 110 110 ASP HA H 1 4.36 0.01 . 1 . . . . . . . . 4022 1 775 . 1 1 110 110 ASP HB2 H 1 3.01 0.01 . 2 . . . . . . . . 4022 1 776 . 1 1 110 110 ASP HB3 H 1 2.73 0.01 . 2 . . . . . . . . 4022 1 777 . 1 1 111 111 GLY H H 1 10.4 0.01 . 1 . . . . . . . . 4022 1 778 . 1 1 111 111 GLY N N 15 107.5 0.2 . 1 . . . . . . . . 4022 1 779 . 1 1 111 111 GLY CA C 13 45.00 0.2 . 1 . . . . . . . . 4022 1 780 . 1 1 111 111 GLY C C 13 174.1 0.2 . 1 . . . . . . . . 4022 1 781 . 1 1 111 111 GLY HA2 H 1 3.99 0.01 . 2 . . . . . . . . 4022 1 782 . 1 1 111 111 GLY HA3 H 1 3.27 0.01 . 2 . . . . . . . . 4022 1 783 . 1 1 112 112 VAL H H 1 8.16 0.01 . 1 . . . . . . . . 4022 1 784 . 1 1 112 112 VAL N N 15 124.1 0.2 . 1 . . . . . . . . 4022 1 785 . 1 1 112 112 VAL CA C 13 63.5 0.2 . 1 . . . . . . . . 4022 1 786 . 1 1 112 112 VAL CB C 13 31.9 0.2 . 1 . . . . . . . . 4022 1 787 . 1 1 112 112 VAL C C 13 174.8 0.2 . 1 . . . . . . . . 4022 1 788 . 1 1 112 112 VAL HA H 1 3.78 0.01 . 1 . . . . . . . . 4022 1 789 . 1 1 112 112 VAL HB H 1 2.33 0.01 . 1 . . . . . . . . 4022 1 790 . 1 1 113 113 LYS H H 1 8.22 0.01 . 1 . . . . . . . . 4022 1 791 . 1 1 113 113 LYS N N 15 126.4 0.2 . 1 . . . . . . . . 4022 1 792 . 1 1 113 113 LYS CA C 13 55.9 0.2 . 1 . . . . . . . . 4022 1 793 . 1 1 113 113 LYS CB C 13 33.5 0.2 . 1 . . . . . . . . 4022 1 794 . 1 1 113 113 LYS C C 13 176.1 0.2 . 1 . . . . . . . . 4022 1 795 . 1 1 113 113 LYS HA H 1 4.26 0.01 . 1 . . . . . . . . 4022 1 796 . 1 1 114 114 TYR H H 1 8.17 0.01 . 1 . . . . . . . . 4022 1 797 . 1 1 114 114 TYR N N 15 123.00 0.2 . 1 . . . . . . . . 4022 1 798 . 1 1 114 114 TYR CA C 13 57.5 0.2 . 1 . . . . . . . . 4022 1 799 . 1 1 114 114 TYR CB C 13 38.5 0.2 . 1 . . . . . . . . 4022 1 800 . 1 1 114 114 TYR C C 13 175.7 0.2 . 1 . . . . . . . . 4022 1 801 . 1 1 114 114 TYR HA H 1 4.97 0.01 . 1 . . . . . . . . 4022 1 802 . 1 1 115 115 SER H H 1 8.55 0.01 . 1 . . . . . . . . 4022 1 803 . 1 1 115 115 SER N N 15 118.7 0.2 . 1 . . . . . . . . 4022 1 804 . 1 1 115 115 SER CA C 13 62.5 0.2 . 1 . . . . . . . . 4022 1 805 . 1 1 115 115 SER CB C 13 64.00 0.2 . 1 . . . . . . . . 4022 1 806 . 1 1 115 115 SER HA H 1 4.58 0.01 . 1 . . . . . . . . 4022 1 807 . 1 1 116 116 ALA H H 1 8.49 0.01 . 1 . . . . . . . . 4022 1 808 . 1 1 116 116 ALA N N 15 118.9 0.2 . 1 . . . . . . . . 4022 1 809 . 1 1 116 116 ALA CA C 13 52.00 0.2 . 1 . . . . . . . . 4022 1 810 . 1 1 116 116 ALA CB C 13 22.5 0.2 . 1 . . . . . . . . 4022 1 811 . 1 1 116 116 ALA C C 13 174.9 0.2 . 1 . . . . . . . . 4022 1 812 . 1 1 116 116 ALA HA H 1 4.7 0.01 . 1 . . . . . . . . 4022 1 813 . 1 1 116 116 ALA HB1 H 1 1.91 0.01 . 1 . . . . . . . . 4022 1 814 . 1 1 116 116 ALA HB2 H 1 1.91 0.01 . 1 . . . . . . . . 4022 1 815 . 1 1 116 116 ALA HB3 H 1 1.91 0.01 . 1 . . . . . . . . 4022 1 816 . 1 1 117 117 GLU H H 1 9.21 0.01 . 1 . . . . . . . . 4022 1 817 . 1 1 117 117 GLU N N 15 121.7 0.2 . 1 . . . . . . . . 4022 1 818 . 1 1 117 117 GLU CA C 13 56.2 0.2 . 1 . . . . . . . . 4022 1 819 . 1 1 117 117 GLU CB C 13 36.00 0.2 . 1 . . . . . . . . 4022 1 820 . 1 1 117 117 GLU C C 13 172.9 0.2 . 1 . . . . . . . . 4022 1 821 . 1 1 117 117 GLU HA H 1 5.3 0.01 . 1 . . . . . . . . 4022 1 822 . 1 1 118 118 LEU H H 1 9.51 0.01 . 1 . . . . . . . . 4022 1 823 . 1 1 118 118 LEU N N 15 130.1 0.2 . 1 . . . . . . . . 4022 1 824 . 1 1 118 118 LEU CA C 13 53.8 0.2 . 1 . . . . . . . . 4022 1 825 . 1 1 118 118 LEU CB C 13 43.9 0.2 . 1 . . . . . . . . 4022 1 826 . 1 1 118 118 LEU C C 13 174.7 0.2 . 1 . . . . . . . . 4022 1 827 . 1 1 118 118 LEU HA H 1 4.66 0.01 . 1 . . . . . . . . 4022 1 828 . 1 1 118 118 LEU HB2 H 1 1.79 0.01 . 1 . . . . . . . . 4022 1 829 . 1 1 118 118 LEU HB3 H 1 1.79 0.01 . 1 . . . . . . . . 4022 1 830 . 1 1 119 119 HIS H H 1 9.25 0.01 . 1 . . . . . . . . 4022 1 831 . 1 1 119 119 HIS N N 15 125.9 0.2 . 1 . . . . . . . . 4022 1 832 . 1 1 119 119 HIS CA C 13 52.5 0.2 . 1 . . . . . . . . 4022 1 833 . 1 1 119 119 HIS CB C 13 33.6 0.2 . 1 . . . . . . . . 4022 1 834 . 1 1 119 119 HIS C C 13 174.2 0.2 . 1 . . . . . . . . 4022 1 835 . 1 1 119 119 HIS HA H 1 4.94 0.01 . 1 . . . . . . . . 4022 1 836 . 1 1 120 120 VAL H H 1 9.32 0.01 . 1 . . . . . . . . 4022 1 837 . 1 1 120 120 VAL N N 15 122.8 0.2 . 1 . . . . . . . . 4022 1 838 . 1 1 120 120 VAL CA C 13 61.8 0.2 . 1 . . . . . . . . 4022 1 839 . 1 1 120 120 VAL CB C 13 32.4 0.2 . 1 . . . . . . . . 4022 1 840 . 1 1 120 120 VAL C C 13 174.4 0.2 . 1 . . . . . . . . 4022 1 841 . 1 1 120 120 VAL HA H 1 4.22 0.01 . 1 . . . . . . . . 4022 1 842 . 1 1 120 120 VAL HB H 1 2.1 0.01 . 1 . . . . . . . . 4022 1 843 . 1 1 121 121 ALA H H 1 9.11 0.01 . 1 . . . . . . . . 4022 1 844 . 1 1 121 121 ALA N N 15 131.7 0.2 . 1 . . . . . . . . 4022 1 845 . 1 1 121 121 ALA CA C 13 52.6 0.2 . 1 . . . . . . . . 4022 1 846 . 1 1 121 121 ALA CB C 13 23.00 0.2 . 1 . . . . . . . . 4022 1 847 . 1 1 121 121 ALA C C 13 174.5 0.2 . 1 . . . . . . . . 4022 1 848 . 1 1 121 121 ALA HA H 1 4.8 0.01 . 1 . . . . . . . . 4022 1 849 . 1 1 121 121 ALA HB1 H 1 0.83 0.01 . 1 . . . . . . . . 4022 1 850 . 1 1 121 121 ALA HB2 H 1 0.83 0.01 . 1 . . . . . . . . 4022 1 851 . 1 1 121 121 ALA HB3 H 1 0.83 0.01 . 1 . . . . . . . . 4022 1 852 . 1 1 122 122 HIS H H 1 8.45 0.01 . 1 . . . . . . . . 4022 1 853 . 1 1 122 122 HIS N N 15 118.6 0.2 . 1 . . . . . . . . 4022 1 854 . 1 1 122 122 HIS CA C 13 54.8 0.2 . 1 . . . . . . . . 4022 1 855 . 1 1 122 122 HIS CB C 13 34.3 0.2 . 1 . . . . . . . . 4022 1 856 . 1 1 122 122 HIS C C 13 174.9 0.2 . 1 . . . . . . . . 4022 1 857 . 1 1 122 122 HIS HA H 1 6.05 0.01 . 1 . . . . . . . . 4022 1 858 . 1 1 123 123 TRP H H 1 9.57 0.01 . 1 . . . . . . . . 4022 1 859 . 1 1 123 123 TRP N N 15 119.7 0.2 . 1 . . . . . . . . 4022 1 860 . 1 1 123 123 TRP CA C 13 54.8 0.2 . 1 . . . . . . . . 4022 1 861 . 1 1 123 123 TRP CB C 13 34.3 0.2 . 1 . . . . . . . . 4022 1 862 . 1 1 123 123 TRP C C 13 176.1 0.2 . 1 . . . . . . . . 4022 1 863 . 1 1 123 123 TRP HA H 1 6.3 0.01 . 1 . . . . . . . . 4022 1 864 . 1 1 123 123 TRP HB2 H 1 3.15 0.01 . 1 . . . . . . . . 4022 1 865 . 1 1 123 123 TRP HB3 H 1 3.15 0.01 . 1 . . . . . . . . 4022 1 866 . 1 1 124 124 ASN H H 1 9.15 0.01 . 1 . . . . . . . . 4022 1 867 . 1 1 124 124 ASN N N 15 118.5 0.2 . 1 . . . . . . . . 4022 1 868 . 1 1 124 124 ASN CA C 13 53.4 0.2 . 1 . . . . . . . . 4022 1 869 . 1 1 124 124 ASN CB C 13 37.4 0.2 . 1 . . . . . . . . 4022 1 870 . 1 1 124 124 ASN C C 13 173.1 0.2 . 1 . . . . . . . . 4022 1 871 . 1 1 124 124 ASN HA H 1 3.45 0.01 . 1 . . . . . . . . 4022 1 872 . 1 1 124 124 ASN HB2 H 1 2.73 0.01 . 1 . . . . . . . . 4022 1 873 . 1 1 124 124 ASN HB3 H 1 2.73 0.01 . 1 . . . . . . . . 4022 1 874 . 1 1 125 125 SER H H 1 7.39 0.01 . 1 . . . . . . . . 4022 1 875 . 1 1 125 125 SER N N 15 120.4 0.2 . 1 . . . . . . . . 4022 1 876 . 1 1 125 125 SER CA C 13 57.9 0.2 . 1 . . . . . . . . 4022 1 877 . 1 1 125 125 SER CB C 13 62.5 0.2 . 1 . . . . . . . . 4022 1 878 . 1 1 125 125 SER C C 13 175.5 0.2 . 1 . . . . . . . . 4022 1 879 . 1 1 125 125 SER HA H 1 4.65 0.01 . 1 . . . . . . . . 4022 1 880 . 1 1 125 125 SER HB2 H 1 3.64 0.01 . 2 . . . . . . . . 4022 1 881 . 1 1 125 125 SER HB3 H 1 1.95 0.01 . 2 . . . . . . . . 4022 1 882 . 1 1 126 126 ALA H H 1 7.82 0.01 . 1 . . . . . . . . 4022 1 883 . 1 1 126 126 ALA N N 15 125.8 0.2 . 1 . . . . . . . . 4022 1 884 . 1 1 126 126 ALA CA C 13 53.4 0.2 . 1 . . . . . . . . 4022 1 885 . 1 1 126 126 ALA CB C 13 19.00 0.2 . 1 . . . . . . . . 4022 1 886 . 1 1 126 126 ALA C C 13 179.2 0.2 . 1 . . . . . . . . 4022 1 887 . 1 1 126 126 ALA HA H 1 4.23 0.01 . 1 . . . . . . . . 4022 1 888 . 1 1 126 126 ALA HB1 H 1 1.4 0.01 . 1 . . . . . . . . 4022 1 889 . 1 1 126 126 ALA HB2 H 1 1.4 0.01 . 1 . . . . . . . . 4022 1 890 . 1 1 126 126 ALA HB3 H 1 1.4 0.01 . 1 . . . . . . . . 4022 1 891 . 1 1 127 127 LYS H H 1 6.59 0.01 . 1 . . . . . . . . 4022 1 892 . 1 1 127 127 LYS N N 15 114.4 0.2 . 1 . . . . . . . . 4022 1 893 . 1 1 127 127 LYS CA C 13 55.9 0.2 . 1 . . . . . . . . 4022 1 894 . 1 1 127 127 LYS CB C 13 34.6 0.2 . 1 . . . . . . . . 4022 1 895 . 1 1 127 127 LYS C C 13 175.7 0.2 . 1 . . . . . . . . 4022 1 896 . 1 1 127 127 LYS HA H 1 3.93 0.01 . 1 . . . . . . . . 4022 1 897 . 1 1 127 127 LYS HB2 H 1 0.65 0.01 . 1 . . . . . . . . 4022 1 898 . 1 1 127 127 LYS HB3 H 1 0.65 0.01 . 1 . . . . . . . . 4022 1 899 . 1 1 128 128 TYR H H 1 7.28 0.01 . 1 . . . . . . . . 4022 1 900 . 1 1 128 128 TYR N N 15 116.00 0.2 . 1 . . . . . . . . 4022 1 901 . 1 1 128 128 TYR CA C 13 56.00 0.2 . 1 . . . . . . . . 4022 1 902 . 1 1 128 128 TYR CB C 13 40.6 0.2 . 1 . . . . . . . . 4022 1 903 . 1 1 128 128 TYR C C 13 175.5 0.2 . 1 . . . . . . . . 4022 1 904 . 1 1 128 128 TYR HA H 1 5.06 0.01 . 1 . . . . . . . . 4022 1 905 . 1 1 128 128 TYR HB2 H 1 3.2 0.01 . 2 . . . . . . . . 4022 1 906 . 1 1 128 128 TYR HB3 H 1 2.97 0.01 . 2 . . . . . . . . 4022 1 907 . 1 1 129 129 SER H H 1 8.97 0.01 . 1 . . . . . . . . 4022 1 908 . 1 1 129 129 SER N N 15 112.7 0.2 . 1 . . . . . . . . 4022 1 909 . 1 1 129 129 SER CA C 13 59.2 0.2 . 1 . . . . . . . . 4022 1 910 . 1 1 129 129 SER CB C 13 64.6 0.2 . 1 . . . . . . . . 4022 1 911 . 1 1 129 129 SER C C 13 174.00 0.2 . 1 . . . . . . . . 4022 1 912 . 1 1 129 129 SER HA H 1 4.61 0.01 . 1 . . . . . . . . 4022 1 913 . 1 1 129 129 SER HB2 H 1 3.99 0.01 . 1 . . . . . . . . 4022 1 914 . 1 1 129 129 SER HB3 H 1 3.99 0.01 . 1 . . . . . . . . 4022 1 915 . 1 1 130 130 SER H H 1 7.21 0.01 . 1 . . . . . . . . 4022 1 916 . 1 1 130 130 SER N N 15 113.8 0.2 . 1 . . . . . . . . 4022 1 917 . 1 1 130 130 SER CA C 13 56.8 0.2 . 1 . . . . . . . . 4022 1 918 . 1 1 130 130 SER CB C 13 65.5 0.2 . 1 . . . . . . . . 4022 1 919 . 1 1 130 130 SER C C 13 171.9 0.2 . 1 . . . . . . . . 4022 1 920 . 1 1 130 130 SER HA H 1 3.85 0.01 . 1 . . . . . . . . 4022 1 921 . 1 1 131 131 LEU H H 1 7.53 0.01 . 1 . . . . . . . . 4022 1 922 . 1 1 131 131 LEU N N 15 122.8 0.2 . 1 . . . . . . . . 4022 1 923 . 1 1 131 131 LEU CA C 13 56.9 0.2 . 1 . . . . . . . . 4022 1 924 . 1 1 131 131 LEU CB C 13 39.9 0.2 . 1 . . . . . . . . 4022 1 925 . 1 1 131 131 LEU C C 13 176.8 0.2 . 1 . . . . . . . . 4022 1 926 . 1 1 131 131 LEU HA H 1 2.5 0.01 . 1 . . . . . . . . 4022 1 927 . 1 1 131 131 LEU HB2 H 1 0.96 0.01 . 1 . . . . . . . . 4022 1 928 . 1 1 131 131 LEU HB3 H 1 0.96 0.01 . 1 . . . . . . . . 4022 1 929 . 1 1 132 132 ALA H H 1 7.52 0.01 . 1 . . . . . . . . 4022 1 930 . 1 1 132 132 ALA N N 15 116.9 0.2 . 1 . . . . . . . . 4022 1 931 . 1 1 132 132 ALA CA C 13 54.5 0.2 . 1 . . . . . . . . 4022 1 932 . 1 1 132 132 ALA CB C 13 17.8 0.2 . 1 . . . . . . . . 4022 1 933 . 1 1 132 132 ALA C C 13 180.00 0.2 . 1 . . . . . . . . 4022 1 934 . 1 1 132 132 ALA HA H 1 3.64 0.01 . 1 . . . . . . . . 4022 1 935 . 1 1 132 132 ALA HB1 H 1 1.15 0.01 . 1 . . . . . . . . 4022 1 936 . 1 1 132 132 ALA HB2 H 1 1.15 0.01 . 1 . . . . . . . . 4022 1 937 . 1 1 132 132 ALA HB3 H 1 1.15 0.01 . 1 . . . . . . . . 4022 1 938 . 1 1 133 133 GLU H H 1 7.24 0.01 . 1 . . . . . . . . 4022 1 939 . 1 1 133 133 GLU N N 15 116.9 0.2 . 1 . . . . . . . . 4022 1 940 . 1 1 133 133 GLU CA C 13 58.2 0.2 . 1 . . . . . . . . 4022 1 941 . 1 1 133 133 GLU CB C 13 30.8 0.2 . 1 . . . . . . . . 4022 1 942 . 1 1 133 133 GLU C C 13 176.9 0.2 . 1 . . . . . . . . 4022 1 943 . 1 1 133 133 GLU HA H 1 3.76 0.01 . 1 . . . . . . . . 4022 1 944 . 1 1 133 133 GLU HB2 H 1 1.92 0.01 . 1 . . . . . . . . 4022 1 945 . 1 1 133 133 GLU HB3 H 1 1.92 0.01 . 1 . . . . . . . . 4022 1 946 . 1 1 134 134 ALA H H 1 7.52 0.01 . 1 . . . . . . . . 4022 1 947 . 1 1 134 134 ALA N N 15 119.8 0.2 . 1 . . . . . . . . 4022 1 948 . 1 1 134 134 ALA CA C 13 54.3 0.2 . 1 . . . . . . . . 4022 1 949 . 1 1 134 134 ALA CB C 13 20.3 0.2 . 1 . . . . . . . . 4022 1 950 . 1 1 134 134 ALA C C 13 179.8 0.2 . 1 . . . . . . . . 4022 1 951 . 1 1 134 134 ALA HA H 1 3.09 0.01 . 1 . . . . . . . . 4022 1 952 . 1 1 134 134 ALA HB1 H 1 1.49 0.01 . 1 . . . . . . . . 4022 1 953 . 1 1 134 134 ALA HB2 H 1 1.49 0.01 . 1 . . . . . . . . 4022 1 954 . 1 1 134 134 ALA HB3 H 1 1.49 0.01 . 1 . . . . . . . . 4022 1 955 . 1 1 135 135 ALA H H 1 8.02 0.01 . 1 . . . . . . . . 4022 1 956 . 1 1 135 135 ALA N N 15 114.2 0.2 . 1 . . . . . . . . 4022 1 957 . 1 1 135 135 ALA CA C 13 55.6 0.2 . 1 . . . . . . . . 4022 1 958 . 1 1 135 135 ALA CB C 13 17.8 0.2 . 1 . . . . . . . . 4022 1 959 . 1 1 135 135 ALA C C 13 175.6 0.2 . 1 . . . . . . . . 4022 1 960 . 1 1 135 135 ALA HA H 1 3.62 0.01 . 1 . . . . . . . . 4022 1 961 . 1 1 135 135 ALA HB1 H 1 1.27 0.01 . 1 . . . . . . . . 4022 1 962 . 1 1 135 135 ALA HB2 H 1 1.27 0.01 . 1 . . . . . . . . 4022 1 963 . 1 1 135 135 ALA HB3 H 1 1.27 0.01 . 1 . . . . . . . . 4022 1 964 . 1 1 136 136 SER H H 1 6.85 0.01 . 1 . . . . . . . . 4022 1 965 . 1 1 136 136 SER N N 15 104.2 0.2 . 1 . . . . . . . . 4022 1 966 . 1 1 136 136 SER CA C 13 56.5 0.2 . 1 . . . . . . . . 4022 1 967 . 1 1 136 136 SER CB C 13 63.3 0.2 . 1 . . . . . . . . 4022 1 968 . 1 1 136 136 SER C C 13 174.9 0.2 . 1 . . . . . . . . 4022 1 969 . 1 1 136 136 SER HA H 1 3.69 0.01 . 1 . . . . . . . . 4022 1 970 . 1 1 136 136 SER HB2 H 1 3.46 0.01 . 2 . . . . . . . . 4022 1 971 . 1 1 136 136 SER HB3 H 1 2.63 0.01 . 2 . . . . . . . . 4022 1 972 . 1 1 137 137 LYS H H 1 7.5 0.01 . 1 . . . . . . . . 4022 1 973 . 1 1 137 137 LYS N N 15 124.1 0.2 . 1 . . . . . . . . 4022 1 974 . 1 1 137 137 LYS CA C 13 53.5 0.2 . 1 . . . . . . . . 4022 1 975 . 1 1 137 137 LYS CB C 13 33.3 0.2 . 1 . . . . . . . . 4022 1 976 . 1 1 137 137 LYS C C 13 177.8 0.2 . 1 . . . . . . . . 4022 1 977 . 1 1 137 137 LYS HA H 1 4.39 0.01 . 1 . . . . . . . . 4022 1 978 . 1 1 137 137 LYS HB2 H 1 1.66 0.01 . 1 . . . . . . . . 4022 1 979 . 1 1 137 137 LYS HB3 H 1 1.66 0.01 . 1 . . . . . . . . 4022 1 980 . 1 1 138 138 ALA H H 1 8.63 0.01 . 1 . . . . . . . . 4022 1 981 . 1 1 138 138 ALA N N 15 123.2 0.2 . 1 . . . . . . . . 4022 1 982 . 1 1 138 138 ALA CA C 13 55.5 0.2 . 1 . . . . . . . . 4022 1 983 . 1 1 138 138 ALA CB C 13 18.8 0.2 . 1 . . . . . . . . 4022 1 984 . 1 1 138 138 ALA C C 13 177.8 0.2 . 1 . . . . . . . . 4022 1 985 . 1 1 138 138 ALA HA H 1 4.31 0.01 . 1 . . . . . . . . 4022 1 986 . 1 1 138 138 ALA HB1 H 1 1.49 0.01 . 1 . . . . . . . . 4022 1 987 . 1 1 138 138 ALA HB2 H 1 1.49 0.01 . 1 . . . . . . . . 4022 1 988 . 1 1 138 138 ALA HB3 H 1 1.49 0.01 . 1 . . . . . . . . 4022 1 989 . 1 1 139 139 ASP H H 1 8.16 0.01 . 1 . . . . . . . . 4022 1 990 . 1 1 139 139 ASP N N 15 113.2 0.2 . 1 . . . . . . . . 4022 1 991 . 1 1 139 139 ASP CA C 13 52.4 0.2 . 1 . . . . . . . . 4022 1 992 . 1 1 139 139 ASP CB C 13 39.5 0.2 . 1 . . . . . . . . 4022 1 993 . 1 1 139 139 ASP C C 13 179.3 0.2 . 1 . . . . . . . . 4022 1 994 . 1 1 139 139 ASP HA H 1 5.07 0.01 . 1 . . . . . . . . 4022 1 995 . 1 1 139 139 ASP HB2 H 1 3.14 0.01 . 2 . . . . . . . . 4022 1 996 . 1 1 139 139 ASP HB3 H 1 2.61 0.01 . 2 . . . . . . . . 4022 1 997 . 1 1 140 140 GLY H H 1 8.52 0.01 . 1 . . . . . . . . 4022 1 998 . 1 1 140 140 GLY N N 15 109.1 0.2 . 1 . . . . . . . . 4022 1 999 . 1 1 140 140 GLY CA C 13 48.7 0.2 . 1 . . . . . . . . 4022 1 1000 . 1 1 140 140 GLY C C 13 174.9 0.2 . 1 . . . . . . . . 4022 1 1001 . 1 1 140 140 GLY HA2 H 1 4.92 0.01 . 2 . . . . . . . . 4022 1 1002 . 1 1 140 140 GLY HA3 H 1 3.93 0.01 . 2 . . . . . . . . 4022 1 1003 . 1 1 141 141 LEU H H 1 8.66 0.01 . 1 . . . . . . . . 4022 1 1004 . 1 1 141 141 LEU N N 15 115.9 0.2 . 1 . . . . . . . . 4022 1 1005 . 1 1 141 141 LEU CA C 13 53.4 0.2 . 1 . . . . . . . . 4022 1 1006 . 1 1 141 141 LEU CB C 13 46.00 0.2 . 1 . . . . . . . . 4022 1 1007 . 1 1 141 141 LEU C C 13 176.5 0.2 . 1 . . . . . . . . 4022 1 1008 . 1 1 141 141 LEU HA H 1 5.86 0.01 . 1 . . . . . . . . 4022 1 1009 . 1 1 142 142 ALA H H 1 8.53 0.01 . 1 . . . . . . . . 4022 1 1010 . 1 1 142 142 ALA N N 15 123.3 0.2 . 1 . . . . . . . . 4022 1 1011 . 1 1 142 142 ALA CA C 13 50.8 0.2 . 1 . . . . . . . . 4022 1 1012 . 1 1 142 142 ALA CB C 13 23.2 0.2 . 1 . . . . . . . . 4022 1 1013 . 1 1 142 142 ALA C C 13 177.00 0.2 . 1 . . . . . . . . 4022 1 1014 . 1 1 142 142 ALA HA H 1 4.94 0.01 . 1 . . . . . . . . 4022 1 1015 . 1 1 142 142 ALA HB1 H 1 0.08 0.01 . 1 . . . . . . . . 4022 1 1016 . 1 1 142 142 ALA HB2 H 1 0.08 0.01 . 1 . . . . . . . . 4022 1 1017 . 1 1 142 142 ALA HB3 H 1 0.08 0.01 . 1 . . . . . . . . 4022 1 1018 . 1 1 143 143 VAL H H 1 7.44 0.01 . 1 . . . . . . . . 4022 1 1019 . 1 1 143 143 VAL N N 15 125.00 0.2 . 1 . . . . . . . . 4022 1 1020 . 1 1 143 143 VAL CA C 13 59.7 0.2 . 1 . . . . . . . . 4022 1 1021 . 1 1 143 143 VAL CB C 13 33.1 0.2 . 1 . . . . . . . . 4022 1 1022 . 1 1 143 143 VAL C C 13 173.8 0.2 . 1 . . . . . . . . 4022 1 1023 . 1 1 143 143 VAL HA H 1 4.89 0.01 . 1 . . . . . . . . 4022 1 1024 . 1 1 143 143 VAL HB H 1 0.07 0.01 . 1 . . . . . . . . 4022 1 1025 . 1 1 144 144 ILE H H 1 8.9 0.01 . 1 . . . . . . . . 4022 1 1026 . 1 1 144 144 ILE N N 15 126.00 0.2 . 1 . . . . . . . . 4022 1 1027 . 1 1 144 144 ILE CA C 13 59.7 0.2 . 1 . . . . . . . . 4022 1 1028 . 1 1 144 144 ILE CB C 13 40.1 0.2 . 1 . . . . . . . . 4022 1 1029 . 1 1 144 144 ILE C C 13 175.7 0.2 . 1 . . . . . . . . 4022 1 1030 . 1 1 144 144 ILE HA H 1 5.2 0.01 . 1 . . . . . . . . 4022 1 1031 . 1 1 144 144 ILE HB H 1 1.7 0.01 . 1 . . . . . . . . 4022 1 1032 . 1 1 145 145 GLY H H 1 10.23 0.01 . 1 . . . . . . . . 4022 1 1033 . 1 1 145 145 GLY N N 15 115.9 0.2 . 1 . . . . . . . . 4022 1 1034 . 1 1 145 145 GLY CA C 13 43.9 0.2 . 1 . . . . . . . . 4022 1 1035 . 1 1 145 145 GLY C C 13 171.8 0.2 . 1 . . . . . . . . 4022 1 1036 . 1 1 145 145 GLY HA2 H 1 6.17 0.01 . 2 . . . . . . . . 4022 1 1037 . 1 1 145 145 GLY HA3 H 1 3.58 0.01 . 2 . . . . . . . . 4022 1 1038 . 1 1 146 146 VAL H H 1 9.59 0.01 . 1 . . . . . . . . 4022 1 1039 . 1 1 146 146 VAL N N 15 124.6 0.2 . 1 . . . . . . . . 4022 1 1040 . 1 1 146 146 VAL CA C 13 60.2 0.2 . 1 . . . . . . . . 4022 1 1041 . 1 1 146 146 VAL CB C 13 34.6 0.2 . 1 . . . . . . . . 4022 1 1042 . 1 1 146 146 VAL C C 13 175.4 0.2 . 1 . . . . . . . . 4022 1 1043 . 1 1 146 146 VAL HA H 1 4.78 0.01 . 1 . . . . . . . . 4022 1 1044 . 1 1 146 146 VAL HB H 1 2.13 0.01 . 1 . . . . . . . . 4022 1 1045 . 1 1 147 147 LEU H H 1 10.4 0.01 . 1 . . . . . . . . 4022 1 1046 . 1 1 147 147 LEU N N 15 131.1 0.2 . 1 . . . . . . . . 4022 1 1047 . 1 1 147 147 LEU CA C 13 55.3 0.2 . 1 . . . . . . . . 4022 1 1048 . 1 1 147 147 LEU CB C 13 41.1 0.2 . 1 . . . . . . . . 4022 1 1049 . 1 1 147 147 LEU C C 13 175.9 0.2 . 1 . . . . . . . . 4022 1 1050 . 1 1 147 147 LEU HA H 1 4.39 0.01 . 1 . . . . . . . . 4022 1 1051 . 1 1 147 147 LEU HB2 H 1 1.35 0.01 . 2 . . . . . . . . 4022 1 1052 . 1 1 147 147 LEU HB3 H 1 0.68 0.01 . 2 . . . . . . . . 4022 1 1053 . 1 1 148 148 MET H H 1 8.19 0.01 . 1 . . . . . . . . 4022 1 1054 . 1 1 148 148 MET N N 15 117.5 0.2 . 1 . . . . . . . . 4022 1 1055 . 1 1 148 148 MET CA C 13 54.00 0.2 . 1 . . . . . . . . 4022 1 1056 . 1 1 148 148 MET CB C 13 34.7 0.2 . 1 . . . . . . . . 4022 1 1057 . 1 1 148 148 MET C C 13 174.8 0.2 . 1 . . . . . . . . 4022 1 1058 . 1 1 148 148 MET HA H 1 5.44 0.01 . 1 . . . . . . . . 4022 1 1059 . 1 1 148 148 MET HB2 H 1 1.8 0.01 . 1 . . . . . . . . 4022 1 1060 . 1 1 148 148 MET HB3 H 1 1.8 0.01 . 1 . . . . . . . . 4022 1 1061 . 1 1 149 149 LYS H H 1 9.3 0.01 . 1 . . . . . . . . 4022 1 1062 . 1 1 149 149 LYS N N 15 126.00 0.2 . 1 . . . . . . . . 4022 1 1063 . 1 1 149 149 LYS CA C 13 54.00 0.2 . 1 . . . . . . . . 4022 1 1064 . 1 1 149 149 LYS CB C 13 36.5 0.2 . 1 . . . . . . . . 4022 1 1065 . 1 1 149 149 LYS C C 13 176.00 0.2 . 1 . . . . . . . . 4022 1 1066 . 1 1 149 149 LYS HA H 1 5.14 0.01 . 1 . . . . . . . . 4022 1 1067 . 1 1 149 149 LYS HB2 H 1 2.00 0.01 . 2 . . . . . . . . 4022 1 1068 . 1 1 149 149 LYS HB3 H 1 1.76 0.01 . 2 . . . . . . . . 4022 1 1069 . 1 1 150 150 VAL H H 1 8.19 0.01 . 1 . . . . . . . . 4022 1 1070 . 1 1 150 150 VAL N N 15 125.8 0.2 . 1 . . . . . . . . 4022 1 1071 . 1 1 150 150 VAL CA C 13 61.5 0.2 . 1 . . . . . . . . 4022 1 1072 . 1 1 150 150 VAL CB C 13 31.2 0.2 . 1 . . . . . . . . 4022 1 1073 . 1 1 150 150 VAL C C 13 176.3 0.2 . 1 . . . . . . . . 4022 1 1074 . 1 1 150 150 VAL HA H 1 4.91 0.01 . 1 . . . . . . . . 4022 1 1075 . 1 1 150 150 VAL HB H 1 2.03 0.01 . 1 . . . . . . . . 4022 1 1076 . 1 1 151 151 GLY H H 1 8.51 0.01 . 1 . . . . . . . . 4022 1 1077 . 1 1 151 151 GLY N N 15 116.2 0.2 . 1 . . . . . . . . 4022 1 1078 . 1 1 151 151 GLY CA C 13 46.7 0.2 . 1 . . . . . . . . 4022 1 1079 . 1 1 151 151 GLY C C 13 172.8 0.2 . 1 . . . . . . . . 4022 1 1080 . 1 1 151 151 GLY HA2 H 1 3.91 0.01 . 1 . . . . . . . . 4022 1 1081 . 1 1 151 151 GLY HA3 H 1 3.91 0.01 . 1 . . . . . . . . 4022 1 1082 . 1 1 152 152 GLU H H 1 8.69 0.01 . 1 . . . . . . . . 4022 1 1083 . 1 1 152 152 GLU N N 15 128.00 0.2 . 1 . . . . . . . . 4022 1 1084 . 1 1 152 152 GLU CA C 13 56.3 0.2 . 1 . . . . . . . . 4022 1 1085 . 1 1 152 152 GLU CB C 13 30.1 0.2 . 1 . . . . . . . . 4022 1 1086 . 1 1 152 152 GLU C C 13 175.8 0.2 . 1 . . . . . . . . 4022 1 1087 . 1 1 152 152 GLU HA H 1 4.16 0.01 . 1 . . . . . . . . 4022 1 1088 . 1 1 152 152 GLU HB2 H 1 1.95 0.01 . 1 . . . . . . . . 4022 1 1089 . 1 1 152 152 GLU HB3 H 1 1.95 0.01 . 1 . . . . . . . . 4022 1 1090 . 1 1 153 153 ALA H H 1 8.49 0.01 . 1 . . . . . . . . 4022 1 1091 . 1 1 153 153 ALA N N 15 122.6 0.2 . 1 . . . . . . . . 4022 1 1092 . 1 1 153 153 ALA CA C 13 52.8 0.2 . 1 . . . . . . . . 4022 1 1093 . 1 1 153 153 ALA CB C 13 18.4 0.2 . 1 . . . . . . . . 4022 1 1094 . 1 1 153 153 ALA C C 13 176.9 0.2 . 1 . . . . . . . . 4022 1 1095 . 1 1 153 153 ALA HA H 1 3.81 0.01 . 1 . . . . . . . . 4022 1 1096 . 1 1 153 153 ALA HB1 H 1 1.22 0.01 . 1 . . . . . . . . 4022 1 1097 . 1 1 153 153 ALA HB2 H 1 1.22 0.01 . 1 . . . . . . . . 4022 1 1098 . 1 1 153 153 ALA HB3 H 1 1.22 0.01 . 1 . . . . . . . . 4022 1 1099 . 1 1 154 154 ASN H H 1 8.76 0.01 . 1 . . . . . . . . 4022 1 1100 . 1 1 154 154 ASN N N 15 119.9 0.2 . 1 . . . . . . . . 4022 1 1101 . 1 1 154 154 ASN CA C 13 52.8 0.2 . 1 . . . . . . . . 4022 1 1102 . 1 1 154 154 ASN CB C 13 39.8 0.2 . 1 . . . . . . . . 4022 1 1103 . 1 1 155 155 PRO CA C 13 64.4 0.2 . 1 . . . . . . . . 4022 1 1104 . 1 1 155 155 PRO CB C 13 32.2 0.2 . 1 . . . . . . . . 4022 1 1105 . 1 1 155 155 PRO C C 13 179.3 0.2 . 1 . . . . . . . . 4022 1 1106 . 1 1 155 155 PRO HA H 1 4.58 0.01 . 1 . . . . . . . . 4022 1 1107 . 1 1 155 155 PRO HB2 H 1 2.41 0.01 . 1 . . . . . . . . 4022 1 1108 . 1 1 155 155 PRO HB3 H 1 2.41 0.01 . 1 . . . . . . . . 4022 1 1109 . 1 1 156 156 LYS H H 1 8.05 0.01 . 1 . . . . . . . . 4022 1 1110 . 1 1 156 156 LYS N N 15 116.9 0.2 . 1 . . . . . . . . 4022 1 1111 . 1 1 156 156 LYS CA C 13 57.4 0.2 . 1 . . . . . . . . 4022 1 1112 . 1 1 156 156 LYS CB C 13 31.3 0.2 . 1 . . . . . . . . 4022 1 1113 . 1 1 156 156 LYS C C 13 178.5 0.2 . 1 . . . . . . . . 4022 1 1114 . 1 1 156 156 LYS HA H 1 4.27 0.01 . 1 . . . . . . . . 4022 1 1115 . 1 1 156 156 LYS HB2 H 1 2.05 0.01 . 2 . . . . . . . . 4022 1 1116 . 1 1 156 156 LYS HB3 H 1 1.9 0.01 . 2 . . . . . . . . 4022 1 1117 . 1 1 157 157 LEU H H 1 7.23 0.01 . 1 . . . . . . . . 4022 1 1118 . 1 1 157 157 LEU N N 15 115.1 0.2 . 1 . . . . . . . . 4022 1 1119 . 1 1 157 157 LEU CA C 13 54.6 0.2 . 1 . . . . . . . . 4022 1 1120 . 1 1 157 157 LEU CB C 13 43.4 0.2 . 1 . . . . . . . . 4022 1 1121 . 1 1 157 157 LEU C C 13 178.2 0.2 . 1 . . . . . . . . 4022 1 1122 . 1 1 157 157 LEU HA H 1 4.31 0.01 . 1 . . . . . . . . 4022 1 1123 . 1 1 157 157 LEU HB2 H 1 1.65 0.01 . 1 . . . . . . . . 4022 1 1124 . 1 1 157 157 LEU HB3 H 1 1.65 0.01 . 1 . . . . . . . . 4022 1 1125 . 1 1 158 158 GLN H H 1 7.46 0.01 . 1 . . . . . . . . 4022 1 1126 . 1 1 158 158 GLN N N 15 120.00 0.2 . 1 . . . . . . . . 4022 1 1127 . 1 1 158 158 GLN CA C 13 59.9 0.2 . 1 . . . . . . . . 4022 1 1128 . 1 1 158 158 GLN CB C 13 28.9 0.2 . 1 . . . . . . . . 4022 1 1129 . 1 1 158 158 GLN C C 13 176.2 0.2 . 1 . . . . . . . . 4022 1 1130 . 1 1 158 158 GLN HA H 1 3.58 0.01 . 1 . . . . . . . . 4022 1 1131 . 1 1 159 159 LYS H H 1 8.65 0.01 . 1 . . . . . . . . 4022 1 1132 . 1 1 159 159 LYS N N 15 116.1 0.2 . 1 . . . . . . . . 4022 1 1133 . 1 1 159 159 LYS CA C 13 59.9 0.2 . 1 . . . . . . . . 4022 1 1134 . 1 1 159 159 LYS CB C 13 33.00 0.2 . 1 . . . . . . . . 4022 1 1135 . 1 1 159 159 LYS C C 13 179.9 0.2 . 1 . . . . . . . . 4022 1 1136 . 1 1 159 159 LYS HA H 1 4.13 0.01 . 1 . . . . . . . . 4022 1 1137 . 1 1 159 159 LYS HB2 H 1 2.06 0.01 . 2 . . . . . . . . 4022 1 1138 . 1 1 159 159 LYS HB3 H 1 1.76 0.01 . 2 . . . . . . . . 4022 1 1139 . 1 1 160 160 VAL H H 1 7.15 0.01 . 1 . . . . . . . . 4022 1 1140 . 1 1 160 160 VAL N N 15 115.5 0.2 . 1 . . . . . . . . 4022 1 1141 . 1 1 160 160 VAL CA C 13 65.6 0.2 . 1 . . . . . . . . 4022 1 1142 . 1 1 160 160 VAL CB C 13 31.9 0.2 . 1 . . . . . . . . 4022 1 1143 . 1 1 160 160 VAL C C 13 176.2 0.2 . 1 . . . . . . . . 4022 1 1144 . 1 1 160 160 VAL HA H 1 3.5 0.01 . 1 . . . . . . . . 4022 1 1145 . 1 1 160 160 VAL HB H 1 2.35 0.01 . 1 . . . . . . . . 4022 1 1146 . 1 1 161 161 LEU H H 1 7.48 0.01 . 1 . . . . . . . . 4022 1 1147 . 1 1 161 161 LEU N N 15 116.6 0.2 . 1 . . . . . . . . 4022 1 1148 . 1 1 161 161 LEU CA C 13 57.3 0.2 . 1 . . . . . . . . 4022 1 1149 . 1 1 161 161 LEU CB C 13 40.1 0.2 . 1 . . . . . . . . 4022 1 1150 . 1 1 161 161 LEU C C 13 180.4 0.2 . 1 . . . . . . . . 4022 1 1151 . 1 1 161 161 LEU HA H 1 3.68 0.01 . 1 . . . . . . . . 4022 1 1152 . 1 1 162 162 ASP H H 1 8.71 0.01 . 1 . . . . . . . . 4022 1 1153 . 1 1 162 162 ASP N N 15 119.00 0.2 . 1 . . . . . . . . 4022 1 1154 . 1 1 162 162 ASP CA C 13 56.8 0.2 . 1 . . . . . . . . 4022 1 1155 . 1 1 162 162 ASP CB C 13 40.5 0.2 . 1 . . . . . . . . 4022 1 1156 . 1 1 162 162 ASP C C 13 178.00 0.2 . 1 . . . . . . . . 4022 1 1157 . 1 1 162 162 ASP HA H 1 4.32 0.01 . 1 . . . . . . . . 4022 1 1158 . 1 1 162 162 ASP HB2 H 1 2.65 0.01 . 1 . . . . . . . . 4022 1 1159 . 1 1 162 162 ASP HB3 H 1 2.65 0.01 . 1 . . . . . . . . 4022 1 1160 . 1 1 163 163 ALA H H 1 7.3 0.01 . 1 . . . . . . . . 4022 1 1161 . 1 1 163 163 ALA N N 15 121.1 0.2 . 1 . . . . . . . . 4022 1 1162 . 1 1 163 163 ALA CA C 13 53.2 0.2 . 1 . . . . . . . . 4022 1 1163 . 1 1 163 163 ALA CB C 13 19.6 0.2 . 1 . . . . . . . . 4022 1 1164 . 1 1 163 163 ALA C C 13 178.6 0.2 . 1 . . . . . . . . 4022 1 1165 . 1 1 163 163 ALA HA H 1 4.3 0.01 . 1 . . . . . . . . 4022 1 1166 . 1 1 163 163 ALA HB1 H 1 1.63 0.01 . 1 . . . . . . . . 4022 1 1167 . 1 1 163 163 ALA HB2 H 1 1.63 0.01 . 1 . . . . . . . . 4022 1 1168 . 1 1 163 163 ALA HB3 H 1 1.63 0.01 . 1 . . . . . . . . 4022 1 1169 . 1 1 164 164 LEU H H 1 7.24 0.01 . 1 . . . . . . . . 4022 1 1170 . 1 1 164 164 LEU N N 15 114.1 0.2 . 1 . . . . . . . . 4022 1 1171 . 1 1 164 164 LEU CA C 13 56.8 0.2 . 1 . . . . . . . . 4022 1 1172 . 1 1 164 164 LEU CB C 13 40.00 0.2 . 1 . . . . . . . . 4022 1 1173 . 1 1 164 164 LEU C C 13 179.5 0.2 . 1 . . . . . . . . 4022 1 1174 . 1 1 164 164 LEU HA H 1 3.66 0.01 . 1 . . . . . . . . 4022 1 1175 . 1 1 164 164 LEU HB2 H 1 1.66 0.01 . 2 . . . . . . . . 4022 1 1176 . 1 1 164 164 LEU HB3 H 1 1.14 0.01 . 2 . . . . . . . . 4022 1 1177 . 1 1 165 165 GLN H H 1 7.39 0.01 . 1 . . . . . . . . 4022 1 1178 . 1 1 165 165 GLN N N 15 114.4 0.2 . 1 . . . . . . . . 4022 1 1179 . 1 1 165 165 GLN CA C 13 57.6 0.2 . 1 . . . . . . . . 4022 1 1180 . 1 1 165 165 GLN CB C 13 27.8 0.2 . 1 . . . . . . . . 4022 1 1181 . 1 1 165 165 GLN C C 13 176.7 0.2 . 1 . . . . . . . . 4022 1 1182 . 1 1 165 165 GLN HA H 1 3.89 0.01 . 1 . . . . . . . . 4022 1 1183 . 1 1 165 165 GLN HB2 H 1 2.08 0.01 . 1 . . . . . . . . 4022 1 1184 . 1 1 165 165 GLN HB3 H 1 2.08 0.01 . 1 . . . . . . . . 4022 1 1185 . 1 1 166 166 ALA H H 1 7.4 0.01 . 1 . . . . . . . . 4022 1 1186 . 1 1 166 166 ALA N N 15 118.9 0.2 . 1 . . . . . . . . 4022 1 1187 . 1 1 166 166 ALA CA C 13 52.5 0.2 . 1 . . . . . . . . 4022 1 1188 . 1 1 166 166 ALA CB C 13 20.1 0.2 . 1 . . . . . . . . 4022 1 1189 . 1 1 166 166 ALA C C 13 178.2 0.2 . 1 . . . . . . . . 4022 1 1190 . 1 1 166 166 ALA HA H 1 4.4 0.01 . 1 . . . . . . . . 4022 1 1191 . 1 1 166 166 ALA HB1 H 1 1.45 0.01 . 1 . . . . . . . . 4022 1 1192 . 1 1 166 166 ALA HB2 H 1 1.45 0.01 . 1 . . . . . . . . 4022 1 1193 . 1 1 166 166 ALA HB3 H 1 1.45 0.01 . 1 . . . . . . . . 4022 1 1194 . 1 1 167 167 ILE H H 1 7.28 0.01 . 1 . . . . . . . . 4022 1 1195 . 1 1 167 167 ILE N N 15 112.3 0.2 . 1 . . . . . . . . 4022 1 1196 . 1 1 167 167 ILE CA C 13 58.7 0.2 . 1 . . . . . . . . 4022 1 1197 . 1 1 167 167 ILE CB C 13 38.4 0.2 . 1 . . . . . . . . 4022 1 1198 . 1 1 167 167 ILE HA H 1 4.75 0.01 . 1 . . . . . . . . 4022 1 1199 . 1 1 167 167 ILE HG12 H 1 1.78 0.01 . 2 . . . . . . . . 4022 1 1200 . 1 1 167 167 ILE HG13 H 1 1.46 0.01 . 2 . . . . . . . . 4022 1 1201 . 1 1 168 168 LYS H H 1 7.6 0.01 . 1 . . . . . . . . 4022 1 1202 . 1 1 168 168 LYS N N 15 116.9 0.2 . 1 . . . . . . . . 4022 1 1203 . 1 1 168 168 LYS CA C 13 60.4 0.2 . 1 . . . . . . . . 4022 1 1204 . 1 1 168 168 LYS CB C 13 33.7 0.2 . 1 . . . . . . . . 4022 1 1205 . 1 1 168 168 LYS C C 13 175.2 0.2 . 1 . . . . . . . . 4022 1 1206 . 1 1 168 168 LYS HA H 1 3.85 0.01 . 1 . . . . . . . . 4022 1 1207 . 1 1 168 168 LYS HB2 H 1 1.82 0.01 . 1 . . . . . . . . 4022 1 1208 . 1 1 168 168 LYS HB3 H 1 1.82 0.01 . 1 . . . . . . . . 4022 1 1209 . 1 1 169 169 THR H H 1 6.39 0.01 . 1 . . . . . . . . 4022 1 1210 . 1 1 169 169 THR N N 15 97.7 0.2 . 1 . . . . . . . . 4022 1 1211 . 1 1 169 169 THR CA C 13 58.3 0.2 . 1 . . . . . . . . 4022 1 1212 . 1 1 169 169 THR CB C 13 71.00 0.2 . 1 . . . . . . . . 4022 1 1213 . 1 1 169 169 THR HA H 1 4.73 0.01 . 1 . . . . . . . . 4022 1 1214 . 1 1 170 170 LYS H H 1 7.29 0.01 . 1 . . . . . . . . 4022 1 1215 . 1 1 170 170 LYS N N 15 120.6 0.2 . 1 . . . . . . . . 4022 1 1216 . 1 1 170 170 LYS CA C 13 58.3 0.2 . 1 . . . . . . . . 4022 1 1217 . 1 1 170 170 LYS CB C 13 32.00 0.2 . 1 . . . . . . . . 4022 1 1218 . 1 1 170 170 LYS C C 13 177.7 0.2 . 1 . . . . . . . . 4022 1 1219 . 1 1 170 170 LYS HA H 1 3.57 0.01 . 1 . . . . . . . . 4022 1 1220 . 1 1 171 171 GLY H H 1 8.72 0.01 . 1 . . . . . . . . 4022 1 1221 . 1 1 171 171 GLY N N 15 116.3 0.2 . 1 . . . . . . . . 4022 1 1222 . 1 1 171 171 GLY CA C 13 44.3 0.2 . 1 . . . . . . . . 4022 1 1223 . 1 1 171 171 GLY C C 13 174.9 0.2 . 1 . . . . . . . . 4022 1 1224 . 1 1 171 171 GLY HA2 H 1 4.4 0.01 . 2 . . . . . . . . 4022 1 1225 . 1 1 171 171 GLY HA3 H 1 3.61 0.01 . 2 . . . . . . . . 4022 1 1226 . 1 1 172 172 LYS H H 1 7.84 0.01 . 1 . . . . . . . . 4022 1 1227 . 1 1 172 172 LYS N N 15 119.9 0.2 . 1 . . . . . . . . 4022 1 1228 . 1 1 172 172 LYS CA C 13 56.6 0.2 . 1 . . . . . . . . 4022 1 1229 . 1 1 172 172 LYS CB C 13 33.2 0.2 . 1 . . . . . . . . 4022 1 1230 . 1 1 172 172 LYS C C 13 174.3 0.2 . 1 . . . . . . . . 4022 1 1231 . 1 1 172 172 LYS HA H 1 4.4 0.01 . 1 . . . . . . . . 4022 1 1232 . 1 1 172 172 LYS HB2 H 1 1.99 0.01 . 1 . . . . . . . . 4022 1 1233 . 1 1 172 172 LYS HB3 H 1 1.99 0.01 . 1 . . . . . . . . 4022 1 1234 . 1 1 173 173 ARG H H 1 8.29 0.01 . 1 . . . . . . . . 4022 1 1235 . 1 1 173 173 ARG N N 15 117.9 0.2 . 1 . . . . . . . . 4022 1 1236 . 1 1 173 173 ARG CA C 13 53.6 0.2 . 1 . . . . . . . . 4022 1 1237 . 1 1 173 173 ARG CB C 13 34.6 0.2 . 1 . . . . . . . . 4022 1 1238 . 1 1 173 173 ARG C C 13 174.7 0.2 . 1 . . . . . . . . 4022 1 1239 . 1 1 173 173 ARG HA H 1 5.42 0.01 . 1 . . . . . . . . 4022 1 1240 . 1 1 173 173 ARG HB2 H 1 1.73 0.01 . 2 . . . . . . . . 4022 1 1241 . 1 1 173 173 ARG HB3 H 1 1.6 0.01 . 2 . . . . . . . . 4022 1 1242 . 1 1 174 174 ALA H H 1 9.07 0.01 . 1 . . . . . . . . 4022 1 1243 . 1 1 174 174 ALA N N 15 124.9 0.2 . 1 . . . . . . . . 4022 1 1244 . 1 1 174 174 ALA CA C 13 49.8 0.2 . 1 . . . . . . . . 4022 1 1245 . 1 1 174 174 ALA CB C 13 20.8 0.2 . 1 . . . . . . . . 4022 1 1246 . 1 1 174 174 ALA C C 13 173.4 0.2 . 1 . . . . . . . . 4022 1 1247 . 1 1 174 174 ALA HA H 1 4.93 0.01 . 1 . . . . . . . . 4022 1 1248 . 1 1 174 174 ALA HB1 H 1 1.24 0.01 . 1 . . . . . . . . 4022 1 1249 . 1 1 174 174 ALA HB2 H 1 1.24 0.01 . 1 . . . . . . . . 4022 1 1250 . 1 1 174 174 ALA HB3 H 1 1.24 0.01 . 1 . . . . . . . . 4022 1 1251 . 1 1 175 175 PRO CA C 13 63.00 0.2 . 1 . . . . . . . . 4022 1 1252 . 1 1 175 175 PRO CB C 13 32.00 0.2 . 1 . . . . . . . . 4022 1 1253 . 1 1 175 175 PRO C C 13 175.8 0.2 . 1 . . . . . . . . 4022 1 1254 . 1 1 175 175 PRO HA H 1 4.55 0.01 . 1 . . . . . . . . 4022 1 1255 . 1 1 175 175 PRO HB2 H 1 2.37 0.01 . 2 . . . . . . . . 4022 1 1256 . 1 1 175 175 PRO HB3 H 1 1.9 0.01 . 2 . . . . . . . . 4022 1 1257 . 1 1 176 176 PHE H H 1 7.6 0.01 . 1 . . . . . . . . 4022 1 1258 . 1 1 176 176 PHE N N 15 127.1 0.2 . 1 . . . . . . . . 4022 1 1259 . 1 1 176 176 PHE CA C 13 58.4 0.2 . 1 . . . . . . . . 4022 1 1260 . 1 1 176 176 PHE CB C 13 40.6 0.2 . 1 . . . . . . . . 4022 1 1261 . 1 1 176 176 PHE C C 13 171.6 0.2 . 1 . . . . . . . . 4022 1 1262 . 1 1 176 176 PHE HA H 1 4.34 0.01 . 1 . . . . . . . . 4022 1 1263 . 1 1 176 176 PHE HB2 H 1 2.67 0.01 . 2 . . . . . . . . 4022 1 1264 . 1 1 176 176 PHE HB3 H 1 2.54 0.01 . 2 . . . . . . . . 4022 1 1265 . 1 1 177 177 THR H H 1 7.4 0.01 . 1 . . . . . . . . 4022 1 1266 . 1 1 177 177 THR N N 15 110.6 0.2 . 1 . . . . . . . . 4022 1 1267 . 1 1 177 177 THR CA C 13 58.6 0.2 . 1 . . . . . . . . 4022 1 1268 . 1 1 177 177 THR CB C 13 72.00 0.2 . 1 . . . . . . . . 4022 1 1269 . 1 1 177 177 THR C C 13 174.8 0.2 . 1 . . . . . . . . 4022 1 1270 . 1 1 177 177 THR HA H 1 4.61 0.01 . 1 . . . . . . . . 4022 1 1271 . 1 1 177 177 THR HB H 1 4.24 0.01 . 1 . . . . . . . . 4022 1 1272 . 1 1 178 178 ASN H H 1 9.09 0.01 . 1 . . . . . . . . 4022 1 1273 . 1 1 178 178 ASN N N 15 116.5 0.2 . 1 . . . . . . . . 4022 1 1274 . 1 1 178 178 ASN CA C 13 53.7 0.2 . 1 . . . . . . . . 4022 1 1275 . 1 1 178 178 ASN CB C 13 37.00 0.2 . 1 . . . . . . . . 4022 1 1276 . 1 1 178 178 ASN C C 13 173.7 0.2 . 1 . . . . . . . . 4022 1 1277 . 1 1 178 178 ASN HA H 1 4.13 0.01 . 1 . . . . . . . . 4022 1 1278 . 1 1 178 178 ASN HB2 H 1 2.96 0.01 . 2 . . . . . . . . 4022 1 1279 . 1 1 178 178 ASN HB3 H 1 2.57 0.01 . 2 . . . . . . . . 4022 1 1280 . 1 1 179 179 PHE H H 1 7.67 0.01 . 1 . . . . . . . . 4022 1 1281 . 1 1 179 179 PHE N N 15 119.6 0.2 . 1 . . . . . . . . 4022 1 1282 . 1 1 179 179 PHE CA C 13 58.00 0.2 . 1 . . . . . . . . 4022 1 1283 . 1 1 179 179 PHE CB C 13 44.1 0.2 . 1 . . . . . . . . 4022 1 1284 . 1 1 179 179 PHE C C 13 171.9 0.2 . 1 . . . . . . . . 4022 1 1285 . 1 1 179 179 PHE HA H 1 4.7 0.01 . 1 . . . . . . . . 4022 1 1286 . 1 1 179 179 PHE HB2 H 1 2.61 0.01 . 1 . . . . . . . . 4022 1 1287 . 1 1 179 179 PHE HB3 H 1 2.61 0.01 . 1 . . . . . . . . 4022 1 1288 . 1 1 180 180 ASP H H 1 8.15 0.01 . 1 . . . . . . . . 4022 1 1289 . 1 1 180 180 ASP N N 15 125.5 0.2 . 1 . . . . . . . . 4022 1 1290 . 1 1 180 180 ASP CA C 13 48.8 0.2 . 1 . . . . . . . . 4022 1 1291 . 1 1 180 180 ASP CB C 13 42.2 0.2 . 1 . . . . . . . . 4022 1 1292 . 1 1 180 180 ASP C C 13 175.4 0.2 . 1 . . . . . . . . 4022 1 1293 . 1 1 180 180 ASP HA H 1 5.00 0.01 . 1 . . . . . . . . 4022 1 1294 . 1 1 181 181 PRO CA C 13 64.00 0.2 . 1 . . . . . . . . 4022 1 1295 . 1 1 181 181 PRO CB C 13 31.3 0.2 . 1 . . . . . . . . 4022 1 1296 . 1 1 181 181 PRO C C 13 177.00 0.2 . 1 . . . . . . . . 4022 1 1297 . 1 1 181 181 PRO HA H 1 4.11 0.01 . 1 . . . . . . . . 4022 1 1298 . 1 1 182 182 SER H H 1 9.4 0.01 . 1 . . . . . . . . 4022 1 1299 . 1 1 182 182 SER N N 15 116.9 0.2 . 1 . . . . . . . . 4022 1 1300 . 1 1 182 182 SER CA C 13 61.8 0.2 . 1 . . . . . . . . 4022 1 1301 . 1 1 182 182 SER C C 13 177.2 0.2 . 1 . . . . . . . . 4022 1 1302 . 1 1 182 182 SER HA H 1 4.08 0.01 . 1 . . . . . . . . 4022 1 1303 . 1 1 182 182 SER HB2 H 1 3.85 0.01 . 1 . . . . . . . . 4022 1 1304 . 1 1 182 182 SER HB3 H 1 3.85 0.01 . 1 . . . . . . . . 4022 1 1305 . 1 1 183 183 THR H H 1 7.48 0.01 . 1 . . . . . . . . 4022 1 1306 . 1 1 183 183 THR N N 15 113.2 0.2 . 1 . . . . . . . . 4022 1 1307 . 1 1 183 183 THR CA C 13 63.7 0.2 . 1 . . . . . . . . 4022 1 1308 . 1 1 183 183 THR CB C 13 70.00 0.2 . 1 . . . . . . . . 4022 1 1309 . 1 1 183 183 THR C C 13 174.9 0.2 . 1 . . . . . . . . 4022 1 1310 . 1 1 183 183 THR HA H 1 4.16 0.01 . 1 . . . . . . . . 4022 1 1311 . 1 1 184 184 LEU H H 1 7.23 0.01 . 1 . . . . . . . . 4022 1 1312 . 1 1 184 184 LEU N N 15 118.6 0.2 . 1 . . . . . . . . 4022 1 1313 . 1 1 184 184 LEU CA C 13 54.4 0.2 . 1 . . . . . . . . 4022 1 1314 . 1 1 184 184 LEU CB C 13 42.9 0.2 . 1 . . . . . . . . 4022 1 1315 . 1 1 184 184 LEU C C 13 175.7 0.2 . 1 . . . . . . . . 4022 1 1316 . 1 1 184 184 LEU HA H 1 4.39 0.01 . 1 . . . . . . . . 4022 1 1317 . 1 1 184 184 LEU HB2 H 1 1.71 0.01 . 2 . . . . . . . . 4022 1 1318 . 1 1 184 184 LEU HB3 H 1 1.44 0.01 . 2 . . . . . . . . 4022 1 1319 . 1 1 185 185 LEU H H 1 6.76 0.01 . 1 . . . . . . . . 4022 1 1320 . 1 1 185 185 LEU N N 15 113.9 0.2 . 1 . . . . . . . . 4022 1 1321 . 1 1 185 185 LEU CA C 13 52.9 0.2 . 1 . . . . . . . . 4022 1 1322 . 1 1 185 185 LEU CB C 13 39.7 0.2 . 1 . . . . . . . . 4022 1 1323 . 1 1 185 185 LEU C C 13 174.9 0.2 . 1 . . . . . . . . 4022 1 1324 . 1 1 185 185 LEU HA H 1 4.32 0.01 . 1 . . . . . . . . 4022 1 1325 . 1 1 185 185 LEU HB2 H 1 1.8 0.01 . 2 . . . . . . . . 4022 1 1326 . 1 1 185 185 LEU HB3 H 1 1.44 0.01 . 2 . . . . . . . . 4022 1 1327 . 1 1 186 186 PRO CA C 13 62.2 0.2 . 1 . . . . . . . . 4022 1 1328 . 1 1 186 186 PRO CB C 13 32.2 0.2 . 1 . . . . . . . . 4022 1 1329 . 1 1 186 186 PRO C C 13 174.7 0.2 . 1 . . . . . . . . 4022 1 1330 . 1 1 186 186 PRO HA H 1 4.46 0.01 . 1 . . . . . . . . 4022 1 1331 . 1 1 186 186 PRO HB2 H 1 2.23 0.01 . 2 . . . . . . . . 4022 1 1332 . 1 1 186 186 PRO HB3 H 1 2.08 0.01 . 2 . . . . . . . . 4022 1 1333 . 1 1 187 187 SER H H 1 8.15 0.01 . 1 . . . . . . . . 4022 1 1334 . 1 1 187 187 SER N N 15 112.4 0.2 . 1 . . . . . . . . 4022 1 1335 . 1 1 187 187 SER CA C 13 60.8 0.2 . 1 . . . . . . . . 4022 1 1336 . 1 1 187 187 SER CB C 13 63.1 0.2 . 1 . . . . . . . . 4022 1 1337 . 1 1 187 187 SER C C 13 174.8 0.2 . 1 . . . . . . . . 4022 1 1338 . 1 1 187 187 SER HA H 1 4.08 0.01 . 1 . . . . . . . . 4022 1 1339 . 1 1 187 187 SER HB2 H 1 3.91 0.01 . 1 . . . . . . . . 4022 1 1340 . 1 1 187 187 SER HB3 H 1 3.91 0.01 . 1 . . . . . . . . 4022 1 1341 . 1 1 188 188 SER H H 1 7.42 0.01 . 1 . . . . . . . . 4022 1 1342 . 1 1 188 188 SER N N 15 113.4 0.2 . 1 . . . . . . . . 4022 1 1343 . 1 1 188 188 SER CA C 13 56.3 0.2 . 1 . . . . . . . . 4022 1 1344 . 1 1 188 188 SER CB C 13 64.2 0.2 . 1 . . . . . . . . 4022 1 1345 . 1 1 188 188 SER C C 13 175.3 0.2 . 1 . . . . . . . . 4022 1 1346 . 1 1 188 188 SER HA H 1 4.58 0.01 . 1 . . . . . . . . 4022 1 1347 . 1 1 188 188 SER HB2 H 1 3.72 0.01 . 1 . . . . . . . . 4022 1 1348 . 1 1 188 188 SER HB3 H 1 3.72 0.01 . 1 . . . . . . . . 4022 1 1349 . 1 1 189 189 LEU H H 1 8.67 0.01 . 1 . . . . . . . . 4022 1 1350 . 1 1 189 189 LEU N N 15 125.5 0.2 . 1 . . . . . . . . 4022 1 1351 . 1 1 189 189 LEU CA C 13 53.6 0.2 . 1 . . . . . . . . 4022 1 1352 . 1 1 189 189 LEU CB C 13 40.5 0.2 . 1 . . . . . . . . 4022 1 1353 . 1 1 189 189 LEU C C 13 176.9 0.2 . 1 . . . . . . . . 4022 1 1354 . 1 1 189 189 LEU HA H 1 4.6 0.01 . 1 . . . . . . . . 4022 1 1355 . 1 1 190 190 ASP H H 1 7.28 0.01 . 1 . . . . . . . . 4022 1 1356 . 1 1 190 190 ASP N N 15 121.1 0.2 . 1 . . . . . . . . 4022 1 1357 . 1 1 190 190 ASP CA C 13 56.2 0.2 . 1 . . . . . . . . 4022 1 1358 . 1 1 190 190 ASP CB C 13 40.4 0.2 . 1 . . . . . . . . 4022 1 1359 . 1 1 190 190 ASP C C 13 177.1 0.2 . 1 . . . . . . . . 4022 1 1360 . 1 1 190 190 ASP HA H 1 4.32 0.01 . 1 . . . . . . . . 4022 1 1361 . 1 1 190 190 ASP HB2 H 1 1.95 0.01 . 1 . . . . . . . . 4022 1 1362 . 1 1 190 190 ASP HB3 H 1 1.95 0.01 . 1 . . . . . . . . 4022 1 1363 . 1 1 191 191 PHE H H 1 8.7 0.01 . 1 . . . . . . . . 4022 1 1364 . 1 1 191 191 PHE N N 15 118.7 0.2 . 1 . . . . . . . . 4022 1 1365 . 1 1 191 191 PHE CA C 13 56.8 0.2 . 1 . . . . . . . . 4022 1 1366 . 1 1 191 191 PHE CB C 13 43.00 0.2 . 1 . . . . . . . . 4022 1 1367 . 1 1 191 191 PHE C C 13 172.2 0.2 . 1 . . . . . . . . 4022 1 1368 . 1 1 191 191 PHE HA H 1 5.5 0.01 . 1 . . . . . . . . 4022 1 1369 . 1 1 192 192 TRP H H 1 9.5 0.01 . 1 . . . . . . . . 4022 1 1370 . 1 1 192 192 TRP N N 15 117.4 0.2 . 1 . . . . . . . . 4022 1 1371 . 1 1 192 192 TRP CA C 13 57.3 0.2 . 1 . . . . . . . . 4022 1 1372 . 1 1 192 192 TRP CB C 13 31.5 0.2 . 1 . . . . . . . . 4022 1 1373 . 1 1 192 192 TRP C C 13 177.3 0.2 . 1 . . . . . . . . 4022 1 1374 . 1 1 192 192 TRP HA H 1 5.83 0.01 . 1 . . . . . . . . 4022 1 1375 . 1 1 192 192 TRP HB2 H 1 3.09 0.01 . 1 . . . . . . . . 4022 1 1376 . 1 1 192 192 TRP HB3 H 1 3.09 0.01 . 1 . . . . . . . . 4022 1 1377 . 1 1 193 193 THR H H 1 9.78 0.01 . 1 . . . . . . . . 4022 1 1378 . 1 1 193 193 THR N N 15 115.6 0.2 . 1 . . . . . . . . 4022 1 1379 . 1 1 193 193 THR CA C 13 58.2 0.2 . 1 . . . . . . . . 4022 1 1380 . 1 1 193 193 THR CB C 13 70.6 0.2 . 1 . . . . . . . . 4022 1 1381 . 1 1 193 193 THR C C 13 170.9 0.2 . 1 . . . . . . . . 4022 1 1382 . 1 1 193 193 THR HA H 1 6.13 0.01 . 1 . . . . . . . . 4022 1 1383 . 1 1 193 193 THR HB H 1 4.27 0.01 . 1 . . . . . . . . 4022 1 1384 . 1 1 194 194 TYR H H 1 7.96 0.01 . 1 . . . . . . . . 4022 1 1385 . 1 1 194 194 TYR N N 15 126.7 0.2 . 1 . . . . . . . . 4022 1 1386 . 1 1 194 194 TYR CA C 13 55.9 0.2 . 1 . . . . . . . . 4022 1 1387 . 1 1 194 194 TYR CB C 13 39.9 0.2 . 1 . . . . . . . . 4022 1 1388 . 1 1 194 194 TYR C C 13 170.7 0.2 . 1 . . . . . . . . 4022 1 1389 . 1 1 194 194 TYR HA H 1 5.27 0.01 . 1 . . . . . . . . 4022 1 1390 . 1 1 195 195 PRO CA C 13 62.00 0.2 . 1 . . . . . . . . 4022 1 1391 . 1 1 195 195 PRO CB C 13 31.4 0.2 . 1 . . . . . . . . 4022 1 1392 . 1 1 195 195 PRO C C 13 173.1 0.2 . 1 . . . . . . . . 4022 1 1393 . 1 1 195 195 PRO HA H 1 4.98 0.01 . 1 . . . . . . . . 4022 1 1394 . 1 1 195 195 PRO HB2 H 1 2.21 0.01 . 1 . . . . . . . . 4022 1 1395 . 1 1 195 195 PRO HB3 H 1 2.21 0.01 . 1 . . . . . . . . 4022 1 1396 . 1 1 196 196 GLY H H 1 9.53 0.01 . 1 . . . . . . . . 4022 1 1397 . 1 1 196 196 GLY N N 15 111.1 0.2 . 1 . . . . . . . . 4022 1 1398 . 1 1 196 196 GLY CA C 13 46.3 0.2 . 1 . . . . . . . . 4022 1 1399 . 1 1 196 196 GLY HA2 H 1 4.59 0.01 . 2 . . . . . . . . 4022 1 1400 . 1 1 196 196 GLY HA3 H 1 3.68 0.01 . 2 . . . . . . . . 4022 1 1401 . 1 1 197 197 SER H H 1 8.5 0.01 . 1 . . . . . . . . 4022 1 1402 . 1 1 197 197 SER N N 15 118.9 0.2 . 1 . . . . . . . . 4022 1 1403 . 1 1 197 197 SER CA C 13 56.7 0.2 . 1 . . . . . . . . 4022 1 1404 . 1 1 197 197 SER CB C 13 70.8 0.2 . 1 . . . . . . . . 4022 1 1405 . 1 1 197 197 SER C C 13 175.9 0.2 . 1 . . . . . . . . 4022 1 1406 . 1 1 197 197 SER HA H 1 5.86 0.01 . 1 . . . . . . . . 4022 1 1407 . 1 1 198 198 LEU H H 1 7.78 0.01 . 1 . . . . . . . . 4022 1 1408 . 1 1 198 198 LEU N N 15 117.5 0.2 . 1 . . . . . . . . 4022 1 1409 . 1 1 198 198 LEU CA C 13 55.00 0.2 . 1 . . . . . . . . 4022 1 1410 . 1 1 198 198 LEU CB C 13 43.7 0.2 . 1 . . . . . . . . 4022 1 1411 . 1 1 198 198 LEU C C 13 180.3 0.2 . 1 . . . . . . . . 4022 1 1412 . 1 1 198 198 LEU HA H 1 4.55 0.01 . 1 . . . . . . . . 4022 1 1413 . 1 1 198 198 LEU HB2 H 1 1.19 0.01 . 1 . . . . . . . . 4022 1 1414 . 1 1 198 198 LEU HB3 H 1 1.19 0.01 . 1 . . . . . . . . 4022 1 1415 . 1 1 199 199 THR H H 1 8.55 0.01 . 1 . . . . . . . . 4022 1 1416 . 1 1 199 199 THR N N 15 111.2 0.2 . 1 . . . . . . . . 4022 1 1417 . 1 1 199 199 THR CA C 13 61.5 0.2 . 1 . . . . . . . . 4022 1 1418 . 1 1 199 199 THR CB C 13 67.8 0.2 . 1 . . . . . . . . 4022 1 1419 . 1 1 199 199 THR C C 13 173.1 0.2 . 1 . . . . . . . . 4022 1 1420 . 1 1 199 199 THR HA H 1 4.28 0.01 . 1 . . . . . . . . 4022 1 1421 . 1 1 199 199 THR HB H 1 4.55 0.01 . 1 . . . . . . . . 4022 1 1422 . 1 1 200 200 HIS H H 1 6.7 0.01 . 1 . . . . . . . . 4022 1 1423 . 1 1 200 200 HIS N N 15 115.4 0.2 . 1 . . . . . . . . 4022 1 1424 . 1 1 200 200 HIS CA C 13 51.9 0.2 . 1 . . . . . . . . 4022 1 1425 . 1 1 200 200 HIS CB C 13 28.8 0.2 . 1 . . . . . . . . 4022 1 1426 . 1 1 200 200 HIS C C 13 171.2 0.2 . 1 . . . . . . . . 4022 1 1427 . 1 1 200 200 HIS HA H 1 4.2 0.01 . 1 . . . . . . . . 4022 1 1428 . 1 1 202 202 PRO CA C 13 64.1 0.2 . 1 . . . . . . . . 4022 1 1429 . 1 1 202 202 PRO CB C 13 31.6 0.2 . 1 . . . . . . . . 4022 1 1430 . 1 1 203 203 LEU H H 1 8.14 0.01 . 1 . . . . . . . . 4022 1 1431 . 1 1 203 203 LEU N N 15 117.1 0.2 . 1 . . . . . . . . 4022 1 1432 . 1 1 203 203 LEU CA C 13 57.1 0.2 . 1 . . . . . . . . 4022 1 1433 . 1 1 203 203 LEU CB C 13 37.4 0.2 . 1 . . . . . . . . 4022 1 1434 . 1 1 203 203 LEU C C 13 173.2 0.2 . 1 . . . . . . . . 4022 1 1435 . 1 1 203 203 LEU HA H 1 3.4 0.01 . 1 . . . . . . . . 4022 1 1436 . 1 1 203 203 LEU HB2 H 1 1.92 0.01 . 1 . . . . . . . . 4022 1 1437 . 1 1 203 203 LEU HB3 H 1 1.92 0.01 . 1 . . . . . . . . 4022 1 1438 . 1 1 204 204 TYR H H 1 5.64 0.01 . 1 . . . . . . . . 4022 1 1439 . 1 1 204 204 TYR N N 15 110.1 0.2 . 1 . . . . . . . . 4022 1 1440 . 1 1 204 204 TYR CA C 13 56.2 0.2 . 1 . . . . . . . . 4022 1 1441 . 1 1 204 204 TYR CB C 13 38.7 0.2 . 1 . . . . . . . . 4022 1 1442 . 1 1 204 204 TYR C C 13 178.00 0.2 . 1 . . . . . . . . 4022 1 1443 . 1 1 204 204 TYR HA H 1 4.36 0.01 . 1 . . . . . . . . 4022 1 1444 . 1 1 204 204 TYR HB2 H 1 3.03 0.01 . 1 . . . . . . . . 4022 1 1445 . 1 1 204 204 TYR HB3 H 1 3.03 0.01 . 1 . . . . . . . . 4022 1 1446 . 1 1 205 205 GLU H H 1 8.75 0.01 . 1 . . . . . . . . 4022 1 1447 . 1 1 205 205 GLU N N 15 124.4 0.2 . 1 . . . . . . . . 4022 1 1448 . 1 1 205 205 GLU CA C 13 55.7 0.2 . 1 . . . . . . . . 4022 1 1449 . 1 1 205 205 GLU CB C 13 26.3 0.2 . 1 . . . . . . . . 4022 1 1450 . 1 1 205 205 GLU C C 13 177.3 0.2 . 1 . . . . . . . . 4022 1 1451 . 1 1 205 205 GLU HA H 1 4.49 0.01 . 1 . . . . . . . . 4022 1 1452 . 1 1 206 206 SER H H 1 7.74 0.01 . 1 . . . . . . . . 4022 1 1453 . 1 1 206 206 SER N N 15 114.3 0.2 . 1 . . . . . . . . 4022 1 1454 . 1 1 206 206 SER CA C 13 56.00 0.2 . 1 . . . . . . . . 4022 1 1455 . 1 1 206 206 SER CB C 13 66.9 0.2 . 1 . . . . . . . . 4022 1 1456 . 1 1 206 206 SER C C 13 173.4 0.2 . 1 . . . . . . . . 4022 1 1457 . 1 1 206 206 SER HA H 1 4.92 0.01 . 1 . . . . . . . . 4022 1 1458 . 1 1 207 207 VAL H H 1 7.44 0.01 . 1 . . . . . . . . 4022 1 1459 . 1 1 207 207 VAL N N 15 119.00 0.2 . 1 . . . . . . . . 4022 1 1460 . 1 1 207 207 VAL CA C 13 61.7 0.2 . 1 . . . . . . . . 4022 1 1461 . 1 1 207 207 VAL CB C 13 35.6 0.2 . 1 . . . . . . . . 4022 1 1462 . 1 1 207 207 VAL C C 13 175.9 0.2 . 1 . . . . . . . . 4022 1 1463 . 1 1 207 207 VAL HA H 1 4.02 0.01 . 1 . . . . . . . . 4022 1 1464 . 1 1 207 207 VAL HB H 1 1.19 0.01 . 1 . . . . . . . . 4022 1 1465 . 1 1 208 208 THR H H 1 8.07 0.01 . 1 . . . . . . . . 4022 1 1466 . 1 1 208 208 THR N N 15 124.6 0.2 . 1 . . . . . . . . 4022 1 1467 . 1 1 208 208 THR CA C 13 63.3 0.2 . 1 . . . . . . . . 4022 1 1468 . 1 1 208 208 THR CB C 13 68.2 0.2 . 1 . . . . . . . . 4022 1 1469 . 1 1 208 208 THR C C 13 173.3 0.2 . 1 . . . . . . . . 4022 1 1470 . 1 1 208 208 THR HA H 1 4.29 0.01 . 1 . . . . . . . . 4022 1 1471 . 1 1 208 208 THR HB H 1 4.05 0.01 . 1 . . . . . . . . 4022 1 1472 . 1 1 209 209 TRP H H 1 8.1 0.01 . 1 . . . . . . . . 4022 1 1473 . 1 1 209 209 TRP N N 15 128.6 0.2 . 1 . . . . . . . . 4022 1 1474 . 1 1 209 209 TRP CA C 13 58.2 0.2 . 1 . . . . . . . . 4022 1 1475 . 1 1 209 209 TRP CB C 13 31.6 0.2 . 1 . . . . . . . . 4022 1 1476 . 1 1 209 209 TRP C C 13 176.8 0.2 . 1 . . . . . . . . 4022 1 1477 . 1 1 209 209 TRP HA H 1 4.41 0.01 . 1 . . . . . . . . 4022 1 1478 . 1 1 210 210 ILE H H 1 9.05 0.01 . 1 . . . . . . . . 4022 1 1479 . 1 1 210 210 ILE N N 15 126.1 0.2 . 1 . . . . . . . . 4022 1 1480 . 1 1 210 210 ILE CA C 13 58.2 0.2 . 1 . . . . . . . . 4022 1 1481 . 1 1 210 210 ILE CB C 13 38.2 0.2 . 1 . . . . . . . . 4022 1 1482 . 1 1 210 210 ILE C C 13 173.9 0.2 . 1 . . . . . . . . 4022 1 1483 . 1 1 210 210 ILE HA H 1 4.81 0.01 . 1 . . . . . . . . 4022 1 1484 . 1 1 210 210 ILE HB H 1 1.98 0.01 . 1 . . . . . . . . 4022 1 1485 . 1 1 211 211 ILE H H 1 10.07 0.01 . 1 . . . . . . . . 4022 1 1486 . 1 1 211 211 ILE N N 15 126.8 0.2 . 1 . . . . . . . . 4022 1 1487 . 1 1 211 211 ILE CA C 13 56.9 0.2 . 1 . . . . . . . . 4022 1 1488 . 1 1 211 211 ILE CB C 13 37.1 0.2 . 1 . . . . . . . . 4022 1 1489 . 1 1 211 211 ILE C C 13 176.7 0.2 . 1 . . . . . . . . 4022 1 1490 . 1 1 211 211 ILE HA H 1 5.24 0.01 . 1 . . . . . . . . 4022 1 1491 . 1 1 211 211 ILE HB H 1 2.5 0.01 . 1 . . . . . . . . 4022 1 1492 . 1 1 212 212 CYS H H 1 8.66 0.01 . 1 . . . . . . . . 4022 1 1493 . 1 1 212 212 CYS N N 15 125.6 0.2 . 1 . . . . . . . . 4022 1 1494 . 1 1 212 212 CYS CA C 13 62.6 0.2 . 1 . . . . . . . . 4022 1 1495 . 1 1 212 212 CYS CB C 13 27.1 0.2 . 1 . . . . . . . . 4022 1 1496 . 1 1 212 212 CYS C C 13 174.2 0.2 . 1 . . . . . . . . 4022 1 1497 . 1 1 212 212 CYS HA H 1 4.44 0.01 . 1 . . . . . . . . 4022 1 1498 . 1 1 212 212 CYS HB2 H 1 3.68 0.01 . 1 . . . . . . . . 4022 1 1499 . 1 1 212 212 CYS HB3 H 1 3.68 0.01 . 1 . . . . . . . . 4022 1 1500 . 1 1 213 213 LYS H H 1 7.68 0.01 . 1 . . . . . . . . 4022 1 1501 . 1 1 213 213 LYS N N 15 124.3 0.2 . 1 . . . . . . . . 4022 1 1502 . 1 1 213 213 LYS CA C 13 57.8 0.2 . 1 . . . . . . . . 4022 1 1503 . 1 1 213 213 LYS CB C 13 33.00 0.2 . 1 . . . . . . . . 4022 1 1504 . 1 1 213 213 LYS C C 13 177.1 0.2 . 1 . . . . . . . . 4022 1 1505 . 1 1 213 213 LYS HA H 1 3.88 0.01 . 1 . . . . . . . . 4022 1 1506 . 1 1 213 213 LYS HB2 H 1 0.7 0.01 . 2 . . . . . . . . 4022 1 1507 . 1 1 213 213 LYS HB3 H 1 0.44 0.01 . 2 . . . . . . . . 4022 1 1508 . 1 1 214 214 GLU H H 1 8.76 0.01 . 1 . . . . . . . . 4022 1 1509 . 1 1 214 214 GLU N N 15 119.2 0.2 . 1 . . . . . . . . 4022 1 1510 . 1 1 214 214 GLU CA C 13 55.4 0.2 . 1 . . . . . . . . 4022 1 1511 . 1 1 214 214 GLU CB C 13 30.3 0.2 . 1 . . . . . . . . 4022 1 1512 . 1 1 214 214 GLU C C 13 176.3 0.2 . 1 . . . . . . . . 4022 1 1513 . 1 1 214 214 GLU HA H 1 4.4 0.01 . 1 . . . . . . . . 4022 1 1514 . 1 1 214 214 GLU HB2 H 1 2.07 0.01 . 2 . . . . . . . . 4022 1 1515 . 1 1 214 214 GLU HB3 H 1 1.82 0.01 . 2 . . . . . . . . 4022 1 1516 . 1 1 215 215 SER H H 1 8.11 0.01 . 1 . . . . . . . . 4022 1 1517 . 1 1 215 215 SER N N 15 117.4 0.2 . 1 . . . . . . . . 4022 1 1518 . 1 1 215 215 SER CA C 13 56.9 0.2 . 1 . . . . . . . . 4022 1 1519 . 1 1 215 215 SER CB C 13 66.3 0.2 . 1 . . . . . . . . 4022 1 1520 . 1 1 215 215 SER C C 13 174.9 0.2 . 1 . . . . . . . . 4022 1 1521 . 1 1 215 215 SER HA H 1 4.95 0.01 . 1 . . . . . . . . 4022 1 1522 . 1 1 215 215 SER HB2 H 1 3.79 0.01 . 1 . . . . . . . . 4022 1 1523 . 1 1 215 215 SER HB3 H 1 3.79 0.01 . 1 . . . . . . . . 4022 1 1524 . 1 1 216 216 ILE H H 1 8.25 0.01 . 1 . . . . . . . . 4022 1 1525 . 1 1 216 216 ILE N N 15 111.2 0.2 . 1 . . . . . . . . 4022 1 1526 . 1 1 216 216 ILE CA C 13 60.00 0.2 . 1 . . . . . . . . 4022 1 1527 . 1 1 216 216 ILE CB C 13 40.9 0.2 . 1 . . . . . . . . 4022 1 1528 . 1 1 216 216 ILE C C 13 174.8 0.2 . 1 . . . . . . . . 4022 1 1529 . 1 1 216 216 ILE HA H 1 4.9 0.01 . 1 . . . . . . . . 4022 1 1530 . 1 1 216 216 ILE HB H 1 2.08 0.01 . 1 . . . . . . . . 4022 1 1531 . 1 1 217 217 SER H H 1 8.57 0.01 . 1 . . . . . . . . 4022 1 1532 . 1 1 217 217 SER N N 15 116.6 0.2 . 1 . . . . . . . . 4022 1 1533 . 1 1 217 217 SER CA C 13 57.6 0.2 . 1 . . . . . . . . 4022 1 1534 . 1 1 217 217 SER CB C 13 65.9 0.2 . 1 . . . . . . . . 4022 1 1535 . 1 1 217 217 SER C C 13 172.6 0.2 . 1 . . . . . . . . 4022 1 1536 . 1 1 217 217 SER HA H 1 5.44 0.01 . 1 . . . . . . . . 4022 1 1537 . 1 1 217 217 SER HB2 H 1 3.91 0.01 . 2 . . . . . . . . 4022 1 1538 . 1 1 217 217 SER HB3 H 1 3.3 0.01 . 2 . . . . . . . . 4022 1 1539 . 1 1 218 218 VAL H H 1 7.64 0.01 . 1 . . . . . . . . 4022 1 1540 . 1 1 218 218 VAL N N 15 116.9 0.2 . 1 . . . . . . . . 4022 1 1541 . 1 1 218 218 VAL CA C 13 60.5 0.2 . 1 . . . . . . . . 4022 1 1542 . 1 1 218 218 VAL CB C 13 33.7 0.2 . 1 . . . . . . . . 4022 1 1543 . 1 1 218 218 VAL C C 13 172.5 0.2 . 1 . . . . . . . . 4022 1 1544 . 1 1 218 218 VAL HA H 1 4.46 0.01 . 1 . . . . . . . . 4022 1 1545 . 1 1 218 218 VAL HB H 1 1.33 0.01 . 1 . . . . . . . . 4022 1 1546 . 1 1 219 219 SER H H 1 8.73 0.01 . 1 . . . . . . . . 4022 1 1547 . 1 1 219 219 SER N N 15 120.4 0.2 . 1 . . . . . . . . 4022 1 1548 . 1 1 219 219 SER CA C 13 56.4 0.2 . 1 . . . . . . . . 4022 1 1549 . 1 1 219 219 SER CB C 13 66.1 0.2 . 1 . . . . . . . . 4022 1 1550 . 1 1 219 219 SER C C 13 176.7 0.2 . 1 . . . . . . . . 4022 1 1551 . 1 1 219 219 SER HA H 1 5.19 0.01 . 1 . . . . . . . . 4022 1 1552 . 1 1 219 219 SER HB2 H 1 3.61 0.01 . 1 . . . . . . . . 4022 1 1553 . 1 1 219 219 SER HB3 H 1 3.61 0.01 . 1 . . . . . . . . 4022 1 1554 . 1 1 220 220 SER H H 1 9.36 0.01 . 1 . . . . . . . . 4022 1 1555 . 1 1 220 220 SER N N 15 116.6 0.2 . 1 . . . . . . . . 4022 1 1556 . 1 1 220 220 SER CA C 13 56.4 0.2 . 1 . . . . . . . . 4022 1 1557 . 1 1 220 220 SER CB C 13 66.00 0.2 . 1 . . . . . . . . 4022 1 1558 . 1 1 220 220 SER C C 13 174.2 0.2 . 1 . . . . . . . . 4022 1 1559 . 1 1 220 220 SER HA H 1 4.83 0.01 . 1 . . . . . . . . 4022 1 1560 . 1 1 220 220 SER HB2 H 1 3.83 0.01 . 2 . . . . . . . . 4022 1 1561 . 1 1 220 220 SER HB3 H 1 3.57 0.01 . 2 . . . . . . . . 4022 1 1562 . 1 1 221 221 GLU H H 1 8.67 0.01 . 1 . . . . . . . . 4022 1 1563 . 1 1 221 221 GLU N N 15 120.3 0.2 . 1 . . . . . . . . 4022 1 1564 . 1 1 221 221 GLU CA C 13 59.9 0.2 . 1 . . . . . . . . 4022 1 1565 . 1 1 221 221 GLU CB C 13 28.7 0.2 . 1 . . . . . . . . 4022 1 1566 . 1 1 221 221 GLU C C 13 179.00 0.2 . 1 . . . . . . . . 4022 1 1567 . 1 1 221 221 GLU HA H 1 3.96 0.01 . 1 . . . . . . . . 4022 1 1568 . 1 1 221 221 GLU HB2 H 1 1.91 0.01 . 1 . . . . . . . . 4022 1 1569 . 1 1 221 221 GLU HB3 H 1 1.91 0.01 . 1 . . . . . . . . 4022 1 1570 . 1 1 222 222 GLN H H 1 7.53 0.01 . 1 . . . . . . . . 4022 1 1571 . 1 1 222 222 GLN N N 15 120.3 0.2 . 1 . . . . . . . . 4022 1 1572 . 1 1 222 222 GLN CA C 13 59.4 0.2 . 1 . . . . . . . . 4022 1 1573 . 1 1 222 222 GLN CB C 13 28.7 0.2 . 1 . . . . . . . . 4022 1 1574 . 1 1 222 222 GLN C C 13 177.4 0.2 . 1 . . . . . . . . 4022 1 1575 . 1 1 222 222 GLN HA H 1 3.75 0.01 . 1 . . . . . . . . 4022 1 1576 . 1 1 223 223 LEU H H 1 7.65 0.01 . 1 . . . . . . . . 4022 1 1577 . 1 1 223 223 LEU N N 15 117.4 0.2 . 1 . . . . . . . . 4022 1 1578 . 1 1 223 223 LEU CA C 13 57.6 0.2 . 1 . . . . . . . . 4022 1 1579 . 1 1 223 223 LEU CB C 13 41.5 0.2 . 1 . . . . . . . . 4022 1 1580 . 1 1 223 223 LEU C C 13 178.9 0.2 . 1 . . . . . . . . 4022 1 1581 . 1 1 223 223 LEU HA H 1 3.33 0.01 . 1 . . . . . . . . 4022 1 1582 . 1 1 224 224 ALA H H 1 7.67 0.01 . 1 . . . . . . . . 4022 1 1583 . 1 1 224 224 ALA N N 15 117.3 0.2 . 1 . . . . . . . . 4022 1 1584 . 1 1 224 224 ALA CA C 13 54.5 0.2 . 1 . . . . . . . . 4022 1 1585 . 1 1 224 224 ALA CB C 13 17.8 0.2 . 1 . . . . . . . . 4022 1 1586 . 1 1 224 224 ALA C C 13 180.3 0.2 . 1 . . . . . . . . 4022 1 1587 . 1 1 224 224 ALA HA H 1 3.85 0.01 . 1 . . . . . . . . 4022 1 1588 . 1 1 224 224 ALA HB1 H 1 1.38 0.01 . 1 . . . . . . . . 4022 1 1589 . 1 1 224 224 ALA HB2 H 1 1.38 0.01 . 1 . . . . . . . . 4022 1 1590 . 1 1 224 224 ALA HB3 H 1 1.38 0.01 . 1 . . . . . . . . 4022 1 1591 . 1 1 225 225 GLN H H 1 7.18 0.01 . 1 . . . . . . . . 4022 1 1592 . 1 1 225 225 GLN N N 15 116.4 0.2 . 1 . . . . . . . . 4022 1 1593 . 1 1 225 225 GLN CA C 13 59.00 0.2 . 1 . . . . . . . . 4022 1 1594 . 1 1 225 225 GLN CB C 13 28.2 0.2 . 1 . . . . . . . . 4022 1 1595 . 1 1 225 225 GLN C C 13 179.4 0.2 . 1 . . . . . . . . 4022 1 1596 . 1 1 225 225 GLN HA H 1 3.8 0.01 . 1 . . . . . . . . 4022 1 1597 . 1 1 225 225 GLN HB2 H 1 2.04 0.01 . 2 . . . . . . . . 4022 1 1598 . 1 1 225 225 GLN HB3 H 1 1.83 0.01 . 2 . . . . . . . . 4022 1 1599 . 1 1 226 226 PHE H H 1 6.8 0.01 . 1 . . . . . . . . 4022 1 1600 . 1 1 226 226 PHE N N 15 119.9 0.2 . 1 . . . . . . . . 4022 1 1601 . 1 1 226 226 PHE CA C 13 57.8 0.2 . 1 . . . . . . . . 4022 1 1602 . 1 1 226 226 PHE CB C 13 34.1 0.2 . 1 . . . . . . . . 4022 1 1603 . 1 1 226 226 PHE C C 13 175.3 0.2 . 1 . . . . . . . . 4022 1 1604 . 1 1 226 226 PHE HA H 1 3.8 0.01 . 1 . . . . . . . . 4022 1 1605 . 1 1 226 226 PHE HB2 H 1 2.06 0.01 . 1 . . . . . . . . 4022 1 1606 . 1 1 226 226 PHE HB3 H 1 2.06 0.01 . 1 . . . . . . . . 4022 1 1607 . 1 1 227 227 ARG H H 1 6.39 0.01 . 1 . . . . . . . . 4022 1 1608 . 1 1 227 227 ARG N N 15 109.1 0.2 . 1 . . . . . . . . 4022 1 1609 . 1 1 227 227 ARG CA C 13 56.5 0.2 . 1 . . . . . . . . 4022 1 1610 . 1 1 227 227 ARG CB C 13 30.3 0.2 . 1 . . . . . . . . 4022 1 1611 . 1 1 227 227 ARG C C 13 176.2 0.2 . 1 . . . . . . . . 4022 1 1612 . 1 1 227 227 ARG HA H 1 4.4 0.01 . 1 . . . . . . . . 4022 1 1613 . 1 1 227 227 ARG HB2 H 1 1.87 0.01 . 2 . . . . . . . . 4022 1 1614 . 1 1 227 227 ARG HB3 H 1 1.63 0.01 . 2 . . . . . . . . 4022 1 1615 . 1 1 228 228 SER H H 1 7.1 0.01 . 1 . . . . . . . . 4022 1 1616 . 1 1 228 228 SER N N 15 111.7 0.2 . 1 . . . . . . . . 4022 1 1617 . 1 1 228 228 SER CA C 13 58.9 0.2 . 1 . . . . . . . . 4022 1 1618 . 1 1 228 228 SER CB C 13 63.8 0.2 . 1 . . . . . . . . 4022 1 1619 . 1 1 228 228 SER C C 13 175.4 0.2 . 1 . . . . . . . . 4022 1 1620 . 1 1 228 228 SER HA H 1 4.35 0.01 . 1 . . . . . . . . 4022 1 1621 . 1 1 228 228 SER HB2 H 1 3.88 0.01 . 1 . . . . . . . . 4022 1 1622 . 1 1 228 228 SER HB3 H 1 3.88 0.01 . 1 . . . . . . . . 4022 1 1623 . 1 1 229 229 LEU H H 1 7.15 0.01 . 1 . . . . . . . . 4022 1 1624 . 1 1 229 229 LEU N N 15 123.00 0.2 . 1 . . . . . . . . 4022 1 1625 . 1 1 229 229 LEU CA C 13 55.5 0.2 . 1 . . . . . . . . 4022 1 1626 . 1 1 229 229 LEU CB C 13 42.8 0.2 . 1 . . . . . . . . 4022 1 1627 . 1 1 229 229 LEU C C 13 175.1 0.2 . 1 . . . . . . . . 4022 1 1628 . 1 1 229 229 LEU HA H 1 4.17 0.01 . 1 . . . . . . . . 4022 1 1629 . 1 1 229 229 LEU HB2 H 1 2.4 0.01 . 1 . . . . . . . . 4022 1 1630 . 1 1 229 229 LEU HB3 H 1 2.4 0.01 . 1 . . . . . . . . 4022 1 1631 . 1 1 230 230 LEU H H 1 8.46 0.01 . 1 . . . . . . . . 4022 1 1632 . 1 1 230 230 LEU N N 15 118.9 0.2 . 1 . . . . . . . . 4022 1 1633 . 1 1 230 230 LEU CA C 13 53.9 0.2 . 1 . . . . . . . . 4022 1 1634 . 1 1 230 230 LEU CB C 13 41.4 0.2 . 1 . . . . . . . . 4022 1 1635 . 1 1 230 230 LEU C C 13 176.3 0.2 . 1 . . . . . . . . 4022 1 1636 . 1 1 230 230 LEU HA H 1 4.95 0.01 . 1 . . . . . . . . 4022 1 1637 . 1 1 230 230 LEU HB2 H 1 1.91 0.01 . 1 . . . . . . . . 4022 1 1638 . 1 1 230 230 LEU HB3 H 1 1.91 0.01 . 1 . . . . . . . . 4022 1 1639 . 1 1 231 231 SER H H 1 9.06 0.01 . 1 . . . . . . . . 4022 1 1640 . 1 1 231 231 SER N N 15 113.5 0.2 . 1 . . . . . . . . 4022 1 1641 . 1 1 231 231 SER CA C 13 58.6 0.2 . 1 . . . . . . . . 4022 1 1642 . 1 1 231 231 SER CB C 13 66.1 0.2 . 1 . . . . . . . . 4022 1 1643 . 1 1 231 231 SER C C 13 174.2 0.2 . 1 . . . . . . . . 4022 1 1644 . 1 1 231 231 SER HA H 1 4.84 0.01 . 1 . . . . . . . . 4022 1 1645 . 1 1 231 231 SER HB2 H 1 3.81 0.01 . 1 . . . . . . . . 4022 1 1646 . 1 1 231 231 SER HB3 H 1 3.81 0.01 . 1 . . . . . . . . 4022 1 1647 . 1 1 232 232 ASN H H 1 8.18 0.01 . 1 . . . . . . . . 4022 1 1648 . 1 1 232 232 ASN N N 15 115.5 0.2 . 1 . . . . . . . . 4022 1 1649 . 1 1 232 232 ASN CA C 13 51.9 0.2 . 1 . . . . . . . . 4022 1 1650 . 1 1 232 232 ASN CB C 13 42.1 0.2 . 1 . . . . . . . . 4022 1 1651 . 1 1 232 232 ASN C C 13 175.2 0.2 . 1 . . . . . . . . 4022 1 1652 . 1 1 232 232 ASN HA H 1 4.77 0.01 . 1 . . . . . . . . 4022 1 1653 . 1 1 232 232 ASN HB2 H 1 2.49 0.01 . 1 . . . . . . . . 4022 1 1654 . 1 1 232 232 ASN HB3 H 1 2.49 0.01 . 1 . . . . . . . . 4022 1 1655 . 1 1 233 233 VAL H H 1 8.68 0.01 . 1 . . . . . . . . 4022 1 1656 . 1 1 233 233 VAL N N 15 115.9 0.2 . 1 . . . . . . . . 4022 1 1657 . 1 1 233 233 VAL CA C 13 61.5 0.2 . 1 . . . . . . . . 4022 1 1658 . 1 1 233 233 VAL CB C 13 33.1 0.2 . 1 . . . . . . . . 4022 1 1659 . 1 1 233 233 VAL C C 13 177.2 0.2 . 1 . . . . . . . . 4022 1 1660 . 1 1 233 233 VAL HA H 1 4.22 0.01 . 1 . . . . . . . . 4022 1 1661 . 1 1 233 233 VAL HB H 1 2.11 0.01 . 1 . . . . . . . . 4022 1 1662 . 1 1 234 234 GLU H H 1 8.41 0.01 . 1 . . . . . . . . 4022 1 1663 . 1 1 234 234 GLU N N 15 126.2 0.2 . 1 . . . . . . . . 4022 1 1664 . 1 1 234 234 GLU CA C 13 58.5 0.2 . 1 . . . . . . . . 4022 1 1665 . 1 1 234 234 GLU CB C 13 29.5 0.2 . 1 . . . . . . . . 4022 1 1666 . 1 1 234 234 GLU C C 13 176.4 0.2 . 1 . . . . . . . . 4022 1 1667 . 1 1 234 234 GLU HA H 1 3.96 0.01 . 1 . . . . . . . . 4022 1 1668 . 1 1 234 234 GLU HB2 H 1 2.05 0.01 . 1 . . . . . . . . 4022 1 1669 . 1 1 234 234 GLU HB3 H 1 2.05 0.01 . 1 . . . . . . . . 4022 1 1670 . 1 1 235 235 GLY H H 1 9.04 0.01 . 1 . . . . . . . . 4022 1 1671 . 1 1 235 235 GLY N N 15 116.2 0.2 . 1 . . . . . . . . 4022 1 1672 . 1 1 235 235 GLY CA C 13 45.1 0.2 . 1 . . . . . . . . 4022 1 1673 . 1 1 235 235 GLY C C 13 174.2 0.2 . 1 . . . . . . . . 4022 1 1674 . 1 1 235 235 GLY HA2 H 1 4.39 0.01 . 2 . . . . . . . . 4022 1 1675 . 1 1 235 235 GLY HA3 H 1 3.61 0.01 . 2 . . . . . . . . 4022 1 1676 . 1 1 236 236 ASP H H 1 7.54 0.01 . 1 . . . . . . . . 4022 1 1677 . 1 1 236 236 ASP N N 15 120.8 0.2 . 1 . . . . . . . . 4022 1 1678 . 1 1 236 236 ASP CA C 13 52.6 0.2 . 1 . . . . . . . . 4022 1 1679 . 1 1 236 236 ASP CB C 13 42.5 0.2 . 1 . . . . . . . . 4022 1 1680 . 1 1 236 236 ASP C C 13 175.3 0.2 . 1 . . . . . . . . 4022 1 1681 . 1 1 236 236 ASP HA H 1 4.97 0.01 . 1 . . . . . . . . 4022 1 1682 . 1 1 236 236 ASP HB2 H 1 2.87 0.01 . 1 . . . . . . . . 4022 1 1683 . 1 1 236 236 ASP HB3 H 1 2.87 0.01 . 1 . . . . . . . . 4022 1 1684 . 1 1 237 237 ASN H H 1 8.47 0.01 . 1 . . . . . . . . 4022 1 1685 . 1 1 237 237 ASN N N 15 118.2 0.2 . 1 . . . . . . . . 4022 1 1686 . 1 1 237 237 ASN CA C 13 54.00 0.2 . 1 . . . . . . . . 4022 1 1687 . 1 1 237 237 ASN CB C 13 38.5 0.2 . 1 . . . . . . . . 4022 1 1688 . 1 1 237 237 ASN C C 13 175.4 0.2 . 1 . . . . . . . . 4022 1 1689 . 1 1 237 237 ASN HA H 1 4.35 0.01 . 1 . . . . . . . . 4022 1 1690 . 1 1 237 237 ASN HB2 H 1 2.62 0.01 . 1 . . . . . . . . 4022 1 1691 . 1 1 237 237 ASN HB3 H 1 2.62 0.01 . 1 . . . . . . . . 4022 1 1692 . 1 1 238 238 ALA H H 1 8.1 0.01 . 1 . . . . . . . . 4022 1 1693 . 1 1 238 238 ALA N N 15 124.4 0.2 . 1 . . . . . . . . 4022 1 1694 . 1 1 238 238 ALA CA C 13 52.7 0.2 . 1 . . . . . . . . 4022 1 1695 . 1 1 238 238 ALA CB C 13 19.4 0.2 . 1 . . . . . . . . 4022 1 1696 . 1 1 238 238 ALA C C 13 178.7 0.2 . 1 . . . . . . . . 4022 1 1697 . 1 1 238 238 ALA HA H 1 4.22 0.01 . 1 . . . . . . . . 4022 1 1698 . 1 1 238 238 ALA HB1 H 1 1.3 0.01 . 1 . . . . . . . . 4022 1 1699 . 1 1 238 238 ALA HB2 H 1 1.3 0.01 . 1 . . . . . . . . 4022 1 1700 . 1 1 238 238 ALA HB3 H 1 1.3 0.01 . 1 . . . . . . . . 4022 1 1701 . 1 1 239 239 VAL H H 1 8.76 0.01 . 1 . . . . . . . . 4022 1 1702 . 1 1 239 239 VAL N N 15 125.5 0.2 . 1 . . . . . . . . 4022 1 1703 . 1 1 239 239 VAL CA C 13 59.5 0.2 . 1 . . . . . . . . 4022 1 1704 . 1 1 239 239 VAL CB C 13 34.6 0.2 . 1 . . . . . . . . 4022 1 1705 . 1 1 239 239 VAL C C 13 173.1 0.2 . 1 . . . . . . . . 4022 1 1706 . 1 1 239 239 VAL HA H 1 4.48 0.01 . 1 . . . . . . . . 4022 1 1707 . 1 1 239 239 VAL HB H 1 2.03 0.01 . 1 . . . . . . . . 4022 1 1708 . 1 1 240 240 PRO CA C 13 63.4 0.2 . 1 . . . . . . . . 4022 1 1709 . 1 1 240 240 PRO CB C 13 32.8 0.2 . 1 . . . . . . . . 4022 1 1710 . 1 1 240 240 PRO C C 13 176.8 0.2 . 1 . . . . . . . . 4022 1 1711 . 1 1 240 240 PRO HA H 1 4.86 0.01 . 1 . . . . . . . . 4022 1 1712 . 1 1 240 240 PRO HB2 H 1 2.49 0.01 . 2 . . . . . . . . 4022 1 1713 . 1 1 240 240 PRO HB3 H 1 1.94 0.01 . 2 . . . . . . . . 4022 1 1714 . 1 1 241 241 MET H H 1 8.76 0.01 . 1 . . . . . . . . 4022 1 1715 . 1 1 241 241 MET N N 15 127.2 0.2 . 1 . . . . . . . . 4022 1 1716 . 1 1 241 241 MET CA C 13 54.9 0.2 . 1 . . . . . . . . 4022 1 1717 . 1 1 241 241 MET CB C 13 32.5 0.2 . 1 . . . . . . . . 4022 1 1718 . 1 1 241 241 MET C C 13 175.1 0.2 . 1 . . . . . . . . 4022 1 1719 . 1 1 241 241 MET HA H 1 4.4 0.01 . 1 . . . . . . . . 4022 1 1720 . 1 1 242 242 GLN H H 1 7.68 0.01 . 1 . . . . . . . . 4022 1 1721 . 1 1 242 242 GLN N N 15 121.7 0.2 . 1 . . . . . . . . 4022 1 1722 . 1 1 242 242 GLN CA C 13 59.6 0.2 . 1 . . . . . . . . 4022 1 1723 . 1 1 242 242 GLN CB C 13 30.7 0.2 . 1 . . . . . . . . 4022 1 1724 . 1 1 242 242 GLN C C 13 174.4 0.2 . 1 . . . . . . . . 4022 1 1725 . 1 1 242 242 GLN HA H 1 4.09 0.01 . 1 . . . . . . . . 4022 1 1726 . 1 1 242 242 GLN HB2 H 1 2.14 0.01 . 1 . . . . . . . . 4022 1 1727 . 1 1 242 242 GLN HB3 H 1 2.14 0.01 . 1 . . . . . . . . 4022 1 1728 . 1 1 243 243 HIS H H 1 7.25 0.01 . 1 . . . . . . . . 4022 1 1729 . 1 1 243 243 HIS N N 15 105.1 0.2 . 1 . . . . . . . . 4022 1 1730 . 1 1 243 243 HIS CA C 13 53.8 0.2 . 1 . . . . . . . . 4022 1 1731 . 1 1 243 243 HIS CB C 13 31.2 0.2 . 1 . . . . . . . . 4022 1 1732 . 1 1 243 243 HIS C C 13 174.3 0.2 . 1 . . . . . . . . 4022 1 1733 . 1 1 243 243 HIS HA H 1 4.4 0.01 . 1 . . . . . . . . 4022 1 1734 . 1 1 244 244 ASN H H 1 8.12 0.01 . 1 . . . . . . . . 4022 1 1735 . 1 1 244 244 ASN N N 15 117.00 0.2 . 1 . . . . . . . . 4022 1 1736 . 1 1 244 244 ASN CA C 13 51.7 0.2 . 1 . . . . . . . . 4022 1 1737 . 1 1 244 244 ASN CB C 13 36.4 0.2 . 1 . . . . . . . . 4022 1 1738 . 1 1 244 244 ASN C C 13 175.1 0.2 . 1 . . . . . . . . 4022 1 1739 . 1 1 244 244 ASN HA H 1 4.83 0.01 . 1 . . . . . . . . 4022 1 1740 . 1 1 245 245 ASN H H 1 8.68 0.01 . 1 . . . . . . . . 4022 1 1741 . 1 1 245 245 ASN N N 15 115.7 0.2 . 1 . . . . . . . . 4022 1 1742 . 1 1 245 245 ASN CA C 13 51.8 0.2 . 1 . . . . . . . . 4022 1 1743 . 1 1 245 245 ASN CB C 13 39.00 0.2 . 1 . . . . . . . . 4022 1 1744 . 1 1 245 245 ASN C C 13 173.9 0.2 . 1 . . . . . . . . 4022 1 1745 . 1 1 245 245 ASN HA H 1 5.36 0.01 . 1 . . . . . . . . 4022 1 1746 . 1 1 245 245 ASN HB2 H 1 2.23 0.01 . 1 . . . . . . . . 4022 1 1747 . 1 1 245 245 ASN HB3 H 1 2.23 0.01 . 1 . . . . . . . . 4022 1 1748 . 1 1 246 246 ARG H H 1 10.7 0.01 . 1 . . . . . . . . 4022 1 1749 . 1 1 246 246 ARG N N 15 130.9 0.2 . 1 . . . . . . . . 4022 1 1750 . 1 1 246 246 ARG CA C 13 53.9 0.2 . 1 . . . . . . . . 4022 1 1751 . 1 1 247 247 PRO CA C 13 62.6 0.2 . 1 . . . . . . . . 4022 1 1752 . 1 1 247 247 PRO CB C 13 33.00 0.2 . 1 . . . . . . . . 4022 1 1753 . 1 1 247 247 PRO C C 13 176.2 0.2 . 1 . . . . . . . . 4022 1 1754 . 1 1 247 247 PRO HA H 1 4.47 0.01 . 1 . . . . . . . . 4022 1 1755 . 1 1 247 247 PRO HB2 H 1 2.37 0.01 . 2 . . . . . . . . 4022 1 1756 . 1 1 247 247 PRO HB3 H 1 1.64 0.01 . 2 . . . . . . . . 4022 1 1757 . 1 1 248 248 THR H H 1 7.62 0.01 . 1 . . . . . . . . 4022 1 1758 . 1 1 248 248 THR N N 15 111.1 0.2 . 1 . . . . . . . . 4022 1 1759 . 1 1 248 248 THR CA C 13 62.5 0.2 . 1 . . . . . . . . 4022 1 1760 . 1 1 248 248 THR CB C 13 70.2 0.2 . 1 . . . . . . . . 4022 1 1761 . 1 1 248 248 THR C C 13 174.00 0.2 . 1 . . . . . . . . 4022 1 1762 . 1 1 248 248 THR HA H 1 3.57 0.01 . 1 . . . . . . . . 4022 1 1763 . 1 1 248 248 THR HB H 1 3.86 0.01 . 1 . . . . . . . . 4022 1 1764 . 1 1 249 249 GLN H H 1 8.49 0.01 . 1 . . . . . . . . 4022 1 1765 . 1 1 249 249 GLN N N 15 120.9 0.2 . 1 . . . . . . . . 4022 1 1766 . 1 1 249 249 GLN CA C 13 51.4 0.2 . 1 . . . . . . . . 4022 1 1767 . 1 1 249 249 GLN CB C 13 29.2 0.2 . 1 . . . . . . . . 4022 1 1768 . 1 1 249 249 GLN C C 13 173.00 0.2 . 1 . . . . . . . . 4022 1 1769 . 1 1 249 249 GLN HA H 1 4.4 0.01 . 1 . . . . . . . . 4022 1 1770 . 1 1 250 250 PRO CA C 13 62.3 0.2 . 1 . . . . . . . . 4022 1 1771 . 1 1 250 250 PRO CB C 13 31.8 0.2 . 1 . . . . . . . . 4022 1 1772 . 1 1 250 250 PRO C C 13 177.5 0.2 . 1 . . . . . . . . 4022 1 1773 . 1 1 250 250 PRO HA H 1 4.33 0.01 . 1 . . . . . . . . 4022 1 1774 . 1 1 251 251 LEU H H 1 8.74 0.01 . 1 . . . . . . . . 4022 1 1775 . 1 1 251 251 LEU N N 15 123.9 0.2 . 1 . . . . . . . . 4022 1 1776 . 1 1 251 251 LEU CA C 13 57.9 0.2 . 1 . . . . . . . . 4022 1 1777 . 1 1 251 251 LEU CB C 13 42.3 0.2 . 1 . . . . . . . . 4022 1 1778 . 1 1 251 251 LEU C C 13 179.4 0.2 . 1 . . . . . . . . 4022 1 1779 . 1 1 251 251 LEU HA H 1 3.94 0.01 . 1 . . . . . . . . 4022 1 1780 . 1 1 251 251 LEU HB2 H 1 1.7 0.01 . 1 . . . . . . . . 4022 1 1781 . 1 1 251 251 LEU HB3 H 1 1.7 0.01 . 1 . . . . . . . . 4022 1 1782 . 1 1 252 252 LYS H H 1 9.01 0.01 . 1 . . . . . . . . 4022 1 1783 . 1 1 252 252 LYS N N 15 115.9 0.2 . 1 . . . . . . . . 4022 1 1784 . 1 1 252 252 LYS CA C 13 56.9 0.2 . 1 . . . . . . . . 4022 1 1785 . 1 1 252 252 LYS CB C 13 29.7 0.2 . 1 . . . . . . . . 4022 1 1786 . 1 1 252 252 LYS C C 13 177.00 0.2 . 1 . . . . . . . . 4022 1 1787 . 1 1 252 252 LYS HA H 1 3.85 0.01 . 1 . . . . . . . . 4022 1 1788 . 1 1 252 252 LYS HB2 H 1 2.18 0.01 . 2 . . . . . . . . 4022 1 1789 . 1 1 252 252 LYS HB3 H 1 1.98 0.01 . 2 . . . . . . . . 4022 1 1790 . 1 1 253 253 GLY H H 1 8.52 0.01 . 1 . . . . . . . . 4022 1 1791 . 1 1 253 253 GLY N N 15 106.00 0.2 . 1 . . . . . . . . 4022 1 1792 . 1 1 253 253 GLY CA C 13 45.5 0.2 . 1 . . . . . . . . 4022 1 1793 . 1 1 253 253 GLY C C 13 175.3 0.2 . 1 . . . . . . . . 4022 1 1794 . 1 1 253 253 GLY HA2 H 1 4.15 0.01 . 2 . . . . . . . . 4022 1 1795 . 1 1 253 253 GLY HA3 H 1 3.73 0.01 . 2 . . . . . . . . 4022 1 1796 . 1 1 254 254 ARG H H 1 7.18 0.01 . 1 . . . . . . . . 4022 1 1797 . 1 1 254 254 ARG N N 15 119.5 0.2 . 1 . . . . . . . . 4022 1 1798 . 1 1 254 254 ARG CA C 13 56.9 0.2 . 1 . . . . . . . . 4022 1 1799 . 1 1 254 254 ARG CB C 13 33.6 0.2 . 1 . . . . . . . . 4022 1 1800 . 1 1 254 254 ARG C C 13 175.1 0.2 . 1 . . . . . . . . 4022 1 1801 . 1 1 254 254 ARG HA H 1 4.33 0.01 . 1 . . . . . . . . 4022 1 1802 . 1 1 255 255 THR H H 1 8.71 0.01 . 1 . . . . . . . . 4022 1 1803 . 1 1 255 255 THR N N 15 116.5 0.2 . 1 . . . . . . . . 4022 1 1804 . 1 1 255 255 THR CA C 13 62.2 0.2 . 1 . . . . . . . . 4022 1 1805 . 1 1 255 255 THR CB C 13 70.8 0.2 . 1 . . . . . . . . 4022 1 1806 . 1 1 255 255 THR C C 13 173.5 0.2 . 1 . . . . . . . . 4022 1 1807 . 1 1 255 255 THR HA H 1 4.4 0.01 . 1 . . . . . . . . 4022 1 1808 . 1 1 255 255 THR HB H 1 3.95 0.01 . 1 . . . . . . . . 4022 1 1809 . 1 1 256 256 VAL H H 1 8.95 0.01 . 1 . . . . . . . . 4022 1 1810 . 1 1 256 256 VAL N N 15 128.2 0.2 . 1 . . . . . . . . 4022 1 1811 . 1 1 256 256 VAL CA C 13 61.7 0.2 . 1 . . . . . . . . 4022 1 1812 . 1 1 256 256 VAL CB C 13 31.5 0.2 . 1 . . . . . . . . 4022 1 1813 . 1 1 256 256 VAL C C 13 175.7 0.2 . 1 . . . . . . . . 4022 1 1814 . 1 1 256 256 VAL HA H 1 4.53 0.01 . 1 . . . . . . . . 4022 1 1815 . 1 1 256 256 VAL HB H 1 2.04 0.01 . 1 . . . . . . . . 4022 1 1816 . 1 1 257 257 ARG H H 1 8.86 0.01 . 1 . . . . . . . . 4022 1 1817 . 1 1 257 257 ARG N N 15 126.00 0.2 . 1 . . . . . . . . 4022 1 1818 . 1 1 257 257 ARG CA C 13 54.4 0.2 . 1 . . . . . . . . 4022 1 1819 . 1 1 257 257 ARG CB C 13 33.9 0.2 . 1 . . . . . . . . 4022 1 1820 . 1 1 257 257 ARG C C 13 175.1 0.2 . 1 . . . . . . . . 4022 1 1821 . 1 1 257 257 ARG HA H 1 5.34 0.01 . 1 . . . . . . . . 4022 1 1822 . 1 1 257 257 ARG HB2 H 1 1.7 0.01 . 1 . . . . . . . . 4022 1 1823 . 1 1 257 257 ARG HB3 H 1 1.7 0.01 . 1 . . . . . . . . 4022 1 1824 . 1 1 258 258 ALA H H 1 8.65 0.01 . 1 . . . . . . . . 4022 1 1825 . 1 1 258 258 ALA N N 15 123.1 0.2 . 1 . . . . . . . . 4022 1 1826 . 1 1 258 258 ALA CA C 13 49.7 0.2 . 1 . . . . . . . . 4022 1 1827 . 1 1 258 258 ALA CB C 13 23.00 0.2 . 1 . . . . . . . . 4022 1 1828 . 1 1 258 258 ALA C C 13 176.9 0.2 . 1 . . . . . . . . 4022 1 1829 . 1 1 258 258 ALA HA H 1 4.95 0.01 . 1 . . . . . . . . 4022 1 1830 . 1 1 258 258 ALA HB1 H 1 0.66 0.01 . 1 . . . . . . . . 4022 1 1831 . 1 1 258 258 ALA HB2 H 1 0.66 0.01 . 1 . . . . . . . . 4022 1 1832 . 1 1 258 258 ALA HB3 H 1 0.66 0.01 . 1 . . . . . . . . 4022 1 1833 . 1 1 259 259 SER H H 1 8.68 0.01 . 1 . . . . . . . . 4022 1 1834 . 1 1 259 259 SER N N 15 117.9 0.2 . 1 . . . . . . . . 4022 1 1835 . 1 1 259 259 SER CA C 13 58.6 0.2 . 1 . . . . . . . . 4022 1 1836 . 1 1 259 259 SER CB C 13 63.6 0.2 . 1 . . . . . . . . 4022 1 1837 . 1 1 259 259 SER C C 13 171.1 0.2 . 1 . . . . . . . . 4022 1 1838 . 1 1 259 259 SER HA H 1 3.98 0.01 . 1 . . . . . . . . 4022 1 1839 . 1 1 259 259 SER HB2 H 1 3.72 0.01 . 2 . . . . . . . . 4022 1 1840 . 1 1 259 259 SER HB3 H 1 1.88 0.01 . 2 . . . . . . . . 4022 1 1841 . 1 1 260 260 PHE H H 1 6.52 0.01 . 1 . . . . . . . . 4022 1 1842 . 1 1 260 260 PHE N N 15 125.00 0.2 . 1 . . . . . . . . 4022 1 1843 . 1 1 260 260 PHE CA C 13 55.8 0.2 . 1 . . . . . . . . 4022 1 1844 . 1 1 260 260 PHE CB C 13 40.7 0.2 . 1 . . . . . . . . 4022 1 1845 . 1 1 260 260 PHE HA H 1 4.27 0.01 . 1 . . . . . . . . 4022 1 1846 . 1 1 260 260 PHE HB2 H 1 2.88 0.01 . 2 . . . . . . . . 4022 1 1847 . 1 1 260 260 PHE HB3 H 1 2.47 0.01 . 2 . . . . . . . . 4022 1 stop_ save_