data_5352 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5352 _Entry.Title ; 1H, 13C and 15N resonance assignment of Bacillus agaradhaerens xylanase ; _Entry.Type . _Entry.Version_type original _Entry.Submission_date 2002-04-25 _Entry.Accession_date 2002-04-25 _Entry.Last_release_date 2002-09-25 _Entry.Original_release_date 2002-09-25 _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 Marco Betz . . . 5352 2 Hans Wienk . . . 5352 3 Frank Lohr . . . 5352 4 Heinz Ruterjans . . . 5352 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 5352 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 1157 5352 '13C chemical shifts' 847 5352 '15N chemical shifts' 211 5352 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 . . 2002-09-25 2002-04-25 original author . 5352 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5352 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Letter to the Editor: 1H, 13C and 15N resonance assignment of Bacillus agaradhaerens family 11 xylanase ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 23 _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 333 _Citation.Page_last 334 _Citation.Year 2002 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Marco Betz . . . 5352 1 2 Frank Lohr . . . 5352 1 3 Hans Wienk . . . 5352 1 4 Heinz Ruterjans . . . 5352 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID Xylosidases 5352 1 stop_ save_ save_ref_1_PubMed _Citation.Sf_category citations _Citation.Sf_framecode ref_1_PubMed _Citation.Entry_ID 5352 _Citation.ID 2 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 10381409 _Citation.Full_citation ; Sabini E, Sulzenbacher G, Dauter M, Dauter Z, Jorgensen PL, Schulein M, Dupont C, Davies GJ, Wilson KS. Catalysis and specificity in enzymatic glycoside hydrolysis: a 2,5B conformation for the glycosyl-enzyme intermediate revealed by the structure of the Bacillus agaradhaerens family 11 xylanase. Chem Biol. 1999 Jul;6(7):483-92. ; _Citation.Title . _Citation.Status . _Citation.Type . _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_xyl _Assembly.Sf_category assembly _Assembly.Sf_framecode system_xyl _Assembly.Entry_ID 5352 _Assembly.ID 1 _Assembly.Name 'xylanase of Bacillus agaradhaerens' _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 'all free' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number 3.2.1.8 _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 5352 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 'xylanase, monomer' 1 $xylanase . . . native . . . . . 5352 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'xylanase of Bacillus agaradhaerens' system 5352 1 xyl abbreviation 5352 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID endo-1,4-beta-D-xylan-hydrolysis 5352 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_xylanase _Entity.Sf_category entity _Entity.Sf_framecode xylanase _Entity.Entry_ID 5352 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'xylanase B.agaradhaerens' _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 ; MIVTDNSIGNHDGYDYEFWK DSGGSGTMILNHGGTFSAQW NNVNNILFRKGKKFNETQTH QQVGNMSINYGANFQPNGNA YLCVYGWTVDPLVEYYIVDS WGNWRPPGATPKGTITVDGG TYDIYETLRVNQPSIKGIAT FKQYWSVRRSKRTSGTISVS NHFRAWENLGMNMGKMYEVA LTVEGYQSSGSANVYSNTLR INGNPLS ; _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 207 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 23142 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 15908 . Xylanase . . . . . 100.00 207 100.00 100.00 1.10e-149 . . . . 5352 1 2 no BMRB 16583 . Xylanase . . . . . 100.00 207 100.00 100.00 1.10e-149 . . . . 5352 1 3 no PDB 1H4G . "Oligosaccharide-Binding To Family 11 Xylanases: Both Covalent Intermediate And Mutant-Product Complexes Display 2,5b Conformati" . . . . . 99.52 207 100.00 100.00 7.01e-149 . . . . 5352 1 4 no PDB 1H4H . "Oligosaccharide-Binding To Family 11 Xylanases: Both Covalent Intermediate And Mutant-Product Complexes Display 2,5b Conformati" . . . . . 99.52 209 99.51 99.51 7.25e-148 . . . . 5352 1 5 no PDB 1QH6 . "Catalysis And Specificity In Enzymatic Glycoside Hydrolases: A 2,5b Conformation For The Glycosyl-Enzyme Intermidiate Revealed " . . . . . 99.52 207 100.00 100.00 7.01e-149 . . . . 5352 1 6 no PDB 1QH7 . "Catalysis And Specificity In Enzymatic Glycoside Hydrolases: A 2,5b Conformation For The Glycosyl-enzyme Intermidiate Revealed " . . . . . 99.52 207 100.00 100.00 7.01e-149 . . . . 5352 1 7 no PDB 2F6B . "Structural And Active Site Modification Studies Implicate Glu, Trp And Arg In The Activity Of Xylanase From Alkalophilic Bacill" . . . . . 99.03 206 98.54 98.54 1.80e-145 . . . . 5352 1 8 no GB AEP40122 . "XylC1 [Bacillus sp. NCL 87-6-10]" . . . . . 99.52 248 99.51 99.51 5.77e-149 . . . . 5352 1 9 no GB AEP40123 . "XylC2 [Bacillus sp. NCL 87-6-10]" . . . . . 99.52 248 98.54 99.03 1.48e-147 . . . . 5352 1 10 no GB AEP40124 . "XylC3 [Bacillus sp. NCL 87-6-10]" . . . . . 99.52 248 100.00 100.00 9.71e-150 . . . . 5352 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'xylanase B.agaradhaerens' common 5352 1 'xyl B.agaradhaerens' abbreviation 5352 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 5352 1 2 . ILE . 5352 1 3 . VAL . 5352 1 4 . THR . 5352 1 5 . ASP . 5352 1 6 . ASN . 5352 1 7 . SER . 5352 1 8 . ILE . 5352 1 9 . GLY . 5352 1 10 . ASN . 5352 1 11 . HIS . 5352 1 12 . ASP . 5352 1 13 . GLY . 5352 1 14 . TYR . 5352 1 15 . ASP . 5352 1 16 . TYR . 5352 1 17 . GLU . 5352 1 18 . PHE . 5352 1 19 . TRP . 5352 1 20 . LYS . 5352 1 21 . ASP . 5352 1 22 . SER . 5352 1 23 . GLY . 5352 1 24 . GLY . 5352 1 25 . SER . 5352 1 26 . GLY . 5352 1 27 . THR . 5352 1 28 . MET . 5352 1 29 . ILE . 5352 1 30 . LEU . 5352 1 31 . ASN . 5352 1 32 . HIS . 5352 1 33 . GLY . 5352 1 34 . GLY . 5352 1 35 . THR . 5352 1 36 . PHE . 5352 1 37 . SER . 5352 1 38 . ALA . 5352 1 39 . GLN . 5352 1 40 . TRP . 5352 1 41 . ASN . 5352 1 42 . ASN . 5352 1 43 . VAL . 5352 1 44 . ASN . 5352 1 45 . ASN . 5352 1 46 . ILE . 5352 1 47 . LEU . 5352 1 48 . PHE . 5352 1 49 . ARG . 5352 1 50 . LYS . 5352 1 51 . GLY . 5352 1 52 . LYS . 5352 1 53 . LYS . 5352 1 54 . PHE . 5352 1 55 . ASN . 5352 1 56 . GLU . 5352 1 57 . THR . 5352 1 58 . GLN . 5352 1 59 . THR . 5352 1 60 . HIS . 5352 1 61 . GLN . 5352 1 62 . GLN . 5352 1 63 . VAL . 5352 1 64 . GLY . 5352 1 65 . ASN . 5352 1 66 . MET . 5352 1 67 . SER . 5352 1 68 . ILE . 5352 1 69 . ASN . 5352 1 70 . TYR . 5352 1 71 . GLY . 5352 1 72 . ALA . 5352 1 73 . ASN . 5352 1 74 . PHE . 5352 1 75 . GLN . 5352 1 76 . PRO . 5352 1 77 . ASN . 5352 1 78 . GLY . 5352 1 79 . ASN . 5352 1 80 . ALA . 5352 1 81 . TYR . 5352 1 82 . LEU . 5352 1 83 . CYS . 5352 1 84 . VAL . 5352 1 85 . TYR . 5352 1 86 . GLY . 5352 1 87 . TRP . 5352 1 88 . THR . 5352 1 89 . VAL . 5352 1 90 . ASP . 5352 1 91 . PRO . 5352 1 92 . LEU . 5352 1 93 . VAL . 5352 1 94 . GLU . 5352 1 95 . TYR . 5352 1 96 . TYR . 5352 1 97 . ILE . 5352 1 98 . VAL . 5352 1 99 . ASP . 5352 1 100 . SER . 5352 1 101 . TRP . 5352 1 102 . GLY . 5352 1 103 . ASN . 5352 1 104 . TRP . 5352 1 105 . ARG . 5352 1 106 . PRO . 5352 1 107 . PRO . 5352 1 108 . GLY . 5352 1 109 . ALA . 5352 1 110 . THR . 5352 1 111 . PRO . 5352 1 112 . LYS . 5352 1 113 . GLY . 5352 1 114 . THR . 5352 1 115 . ILE . 5352 1 116 . THR . 5352 1 117 . VAL . 5352 1 118 . ASP . 5352 1 119 . GLY . 5352 1 120 . GLY . 5352 1 121 . THR . 5352 1 122 . TYR . 5352 1 123 . ASP . 5352 1 124 . ILE . 5352 1 125 . TYR . 5352 1 126 . GLU . 5352 1 127 . THR . 5352 1 128 . LEU . 5352 1 129 . ARG . 5352 1 130 . VAL . 5352 1 131 . ASN . 5352 1 132 . GLN . 5352 1 133 . PRO . 5352 1 134 . SER . 5352 1 135 . ILE . 5352 1 136 . LYS . 5352 1 137 . GLY . 5352 1 138 . ILE . 5352 1 139 . ALA . 5352 1 140 . THR . 5352 1 141 . PHE . 5352 1 142 . LYS . 5352 1 143 . GLN . 5352 1 144 . TYR . 5352 1 145 . TRP . 5352 1 146 . SER . 5352 1 147 . VAL . 5352 1 148 . ARG . 5352 1 149 . ARG . 5352 1 150 . SER . 5352 1 151 . LYS . 5352 1 152 . ARG . 5352 1 153 . THR . 5352 1 154 . SER . 5352 1 155 . GLY . 5352 1 156 . THR . 5352 1 157 . ILE . 5352 1 158 . SER . 5352 1 159 . VAL . 5352 1 160 . SER . 5352 1 161 . ASN . 5352 1 162 . HIS . 5352 1 163 . PHE . 5352 1 164 . ARG . 5352 1 165 . ALA . 5352 1 166 . TRP . 5352 1 167 . GLU . 5352 1 168 . ASN . 5352 1 169 . LEU . 5352 1 170 . GLY . 5352 1 171 . MET . 5352 1 172 . ASN . 5352 1 173 . MET . 5352 1 174 . GLY . 5352 1 175 . LYS . 5352 1 176 . MET . 5352 1 177 . TYR . 5352 1 178 . GLU . 5352 1 179 . VAL . 5352 1 180 . ALA . 5352 1 181 . LEU . 5352 1 182 . THR . 5352 1 183 . VAL . 5352 1 184 . GLU . 5352 1 185 . GLY . 5352 1 186 . TYR . 5352 1 187 . GLN . 5352 1 188 . SER . 5352 1 189 . SER . 5352 1 190 . GLY . 5352 1 191 . SER . 5352 1 192 . ALA . 5352 1 193 . ASN . 5352 1 194 . VAL . 5352 1 195 . TYR . 5352 1 196 . SER . 5352 1 197 . ASN . 5352 1 198 . THR . 5352 1 199 . LEU . 5352 1 200 . ARG . 5352 1 201 . ILE . 5352 1 202 . ASN . 5352 1 203 . GLY . 5352 1 204 . ASN . 5352 1 205 . PRO . 5352 1 206 . LEU . 5352 1 207 . SER . 5352 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 5352 1 . ILE 2 2 5352 1 . VAL 3 3 5352 1 . THR 4 4 5352 1 . ASP 5 5 5352 1 . ASN 6 6 5352 1 . SER 7 7 5352 1 . ILE 8 8 5352 1 . GLY 9 9 5352 1 . ASN 10 10 5352 1 . HIS 11 11 5352 1 . ASP 12 12 5352 1 . GLY 13 13 5352 1 . TYR 14 14 5352 1 . ASP 15 15 5352 1 . TYR 16 16 5352 1 . GLU 17 17 5352 1 . PHE 18 18 5352 1 . TRP 19 19 5352 1 . LYS 20 20 5352 1 . ASP 21 21 5352 1 . SER 22 22 5352 1 . GLY 23 23 5352 1 . GLY 24 24 5352 1 . SER 25 25 5352 1 . GLY 26 26 5352 1 . THR 27 27 5352 1 . MET 28 28 5352 1 . ILE 29 29 5352 1 . LEU 30 30 5352 1 . ASN 31 31 5352 1 . HIS 32 32 5352 1 . GLY 33 33 5352 1 . GLY 34 34 5352 1 . THR 35 35 5352 1 . PHE 36 36 5352 1 . SER 37 37 5352 1 . ALA 38 38 5352 1 . GLN 39 39 5352 1 . TRP 40 40 5352 1 . ASN 41 41 5352 1 . ASN 42 42 5352 1 . VAL 43 43 5352 1 . ASN 44 44 5352 1 . ASN 45 45 5352 1 . ILE 46 46 5352 1 . LEU 47 47 5352 1 . PHE 48 48 5352 1 . ARG 49 49 5352 1 . LYS 50 50 5352 1 . GLY 51 51 5352 1 . LYS 52 52 5352 1 . LYS 53 53 5352 1 . PHE 54 54 5352 1 . ASN 55 55 5352 1 . GLU 56 56 5352 1 . THR 57 57 5352 1 . GLN 58 58 5352 1 . THR 59 59 5352 1 . HIS 60 60 5352 1 . GLN 61 61 5352 1 . GLN 62 62 5352 1 . VAL 63 63 5352 1 . GLY 64 64 5352 1 . ASN 65 65 5352 1 . MET 66 66 5352 1 . SER 67 67 5352 1 . ILE 68 68 5352 1 . ASN 69 69 5352 1 . TYR 70 70 5352 1 . GLY 71 71 5352 1 . ALA 72 72 5352 1 . ASN 73 73 5352 1 . PHE 74 74 5352 1 . GLN 75 75 5352 1 . PRO 76 76 5352 1 . ASN 77 77 5352 1 . GLY 78 78 5352 1 . ASN 79 79 5352 1 . ALA 80 80 5352 1 . TYR 81 81 5352 1 . LEU 82 82 5352 1 . CYS 83 83 5352 1 . VAL 84 84 5352 1 . TYR 85 85 5352 1 . GLY 86 86 5352 1 . TRP 87 87 5352 1 . THR 88 88 5352 1 . VAL 89 89 5352 1 . ASP 90 90 5352 1 . PRO 91 91 5352 1 . LEU 92 92 5352 1 . VAL 93 93 5352 1 . GLU 94 94 5352 1 . TYR 95 95 5352 1 . TYR 96 96 5352 1 . ILE 97 97 5352 1 . VAL 98 98 5352 1 . ASP 99 99 5352 1 . SER 100 100 5352 1 . TRP 101 101 5352 1 . GLY 102 102 5352 1 . ASN 103 103 5352 1 . TRP 104 104 5352 1 . ARG 105 105 5352 1 . PRO 106 106 5352 1 . PRO 107 107 5352 1 . GLY 108 108 5352 1 . ALA 109 109 5352 1 . THR 110 110 5352 1 . PRO 111 111 5352 1 . LYS 112 112 5352 1 . GLY 113 113 5352 1 . THR 114 114 5352 1 . ILE 115 115 5352 1 . THR 116 116 5352 1 . VAL 117 117 5352 1 . ASP 118 118 5352 1 . GLY 119 119 5352 1 . GLY 120 120 5352 1 . THR 121 121 5352 1 . TYR 122 122 5352 1 . ASP 123 123 5352 1 . ILE 124 124 5352 1 . TYR 125 125 5352 1 . GLU 126 126 5352 1 . THR 127 127 5352 1 . LEU 128 128 5352 1 . ARG 129 129 5352 1 . VAL 130 130 5352 1 . ASN 131 131 5352 1 . GLN 132 132 5352 1 . PRO 133 133 5352 1 . SER 134 134 5352 1 . ILE 135 135 5352 1 . LYS 136 136 5352 1 . GLY 137 137 5352 1 . ILE 138 138 5352 1 . ALA 139 139 5352 1 . THR 140 140 5352 1 . PHE 141 141 5352 1 . LYS 142 142 5352 1 . GLN 143 143 5352 1 . TYR 144 144 5352 1 . TRP 145 145 5352 1 . SER 146 146 5352 1 . VAL 147 147 5352 1 . ARG 148 148 5352 1 . ARG 149 149 5352 1 . SER 150 150 5352 1 . LYS 151 151 5352 1 . ARG 152 152 5352 1 . THR 153 153 5352 1 . SER 154 154 5352 1 . GLY 155 155 5352 1 . THR 156 156 5352 1 . ILE 157 157 5352 1 . SER 158 158 5352 1 . VAL 159 159 5352 1 . SER 160 160 5352 1 . ASN 161 161 5352 1 . HIS 162 162 5352 1 . PHE 163 163 5352 1 . ARG 164 164 5352 1 . ALA 165 165 5352 1 . TRP 166 166 5352 1 . GLU 167 167 5352 1 . ASN 168 168 5352 1 . LEU 169 169 5352 1 . GLY 170 170 5352 1 . MET 171 171 5352 1 . ASN 172 172 5352 1 . MET 173 173 5352 1 . GLY 174 174 5352 1 . LYS 175 175 5352 1 . MET 176 176 5352 1 . TYR 177 177 5352 1 . GLU 178 178 5352 1 . VAL 179 179 5352 1 . ALA 180 180 5352 1 . LEU 181 181 5352 1 . THR 182 182 5352 1 . VAL 183 183 5352 1 . GLU 184 184 5352 1 . GLY 185 185 5352 1 . TYR 186 186 5352 1 . GLN 187 187 5352 1 . SER 188 188 5352 1 . SER 189 189 5352 1 . GLY 190 190 5352 1 . SER 191 191 5352 1 . ALA 192 192 5352 1 . ASN 193 193 5352 1 . VAL 194 194 5352 1 . TYR 195 195 5352 1 . SER 196 196 5352 1 . ASN 197 197 5352 1 . THR 198 198 5352 1 . LEU 199 199 5352 1 . ARG 200 200 5352 1 . ILE 201 201 5352 1 . ASN 202 202 5352 1 . GLY 203 203 5352 1 . ASN 204 204 5352 1 . PRO 205 205 5352 1 . LEU 206 206 5352 1 . SER 207 207 5352 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 5352 _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 $xylanase . 76935 organism . 'Bacillus agaradhaerens' 'Bacillus agaradhaerens' . . Eubacteria . Bacillus agaradhaerens . . . . . . . . . . . . . . . . . . . . . 5352 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 5352 _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 $xylanase . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5352 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 5352 _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 'xylanase B.agaradhaerens' '[U-98% 13C; U-98% 15N]' . . 1 $xylanase . . 1.4 . . mM . . . . 5352 1 stop_ save_ ####################### # Sample conditions # ####################### save_Ex-cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode Ex-cond_1 _Sample_condition_list.Entry_ID 5352 _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 5.3 0.1 n/a 5352 1 temperature 303 1 K 5352 1 'ionic strength' 0.01 . M 5352 1 stop_ save_ ############################ # Computer software used # ############################ save_Pronto _Software.Sf_category software _Software.Sf_framecode Pronto _Software.Entry_ID 5352 _Software.ID 1 _Software.Name Pronto _Software.Version 19990506 _Software.Details ; Kjaer, M.; Andersen, K.V.; Poulsen, F.M. Methods Enzymol. 1994, 239, 288-307. ; loop_ _Task.Task _Task.Entry_ID _Task.Software_ID assignment 5352 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 5352 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 5352 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 5352 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker DMX . 500 . . . 5352 1 2 spectrometer_2 Bruker DMX . 600 . . . 5352 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 5352 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 HNCO . . . . . . . . . . . 1 $sample_1 . . . 1 $Ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 5352 1 2 (HCA)CO(CA)NH . . . . . . . . . . . 1 $sample_1 . . . 1 $Ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 5352 1 3 HNCACB . . . . . . . . . . . 1 $sample_1 . . . 1 $Ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 5352 1 4 CC(CO)NH-TOCSY . . . . . . . . . . . 1 $sample_1 . . . 1 $Ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 5352 1 5 HBHACONH . . . . . . . . . . . 1 $sample_1 . . . 1 $Ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 5352 1 6 H(CC)(CO)NH-TOCSY . . . . . . . . . . . 1 $sample_1 . . . 1 $Ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 5352 1 7 HCD(CG)CB . . . . . . . . . . . 1 $sample_1 . . . 1 $Ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 5352 1 8 HN(CDCG)CB . . . . . . . . . . . 1 $sample_1 . . . 1 $Ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 5352 1 9 CBCACO(CA)HA . . . . . . . . . . . 1 $sample_1 . . . 1 $Ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 5352 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 5352 _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 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.000000000 . . . . . . . . . 5352 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 5352 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 5352 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_CS_xyl_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode CS_xyl_set_1 _Assigned_chem_shift_list.Entry_ID 5352 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Ex-cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_1 . 5352 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 MET HA H 1 4.08 0.02 . . . . . . . . . . 5352 1 2 . 1 1 1 1 MET HB2 H 1 2.10 0.02 . 2 . . . . . . . . 5352 1 3 . 1 1 1 1 MET HB3 H 1 1.80 0.02 . 2 . . . . . . . . 5352 1 4 . 1 1 1 1 MET HG2 H 1 2.50 0.02 . 2 . . . . . . . . 5352 1 5 . 1 1 1 1 MET HG3 H 1 2.27 0.02 . 2 . . . . . . . . 5352 1 6 . 1 1 1 1 MET C C 13 171.44 0.1 . . . . . . . . . . 5352 1 7 . 1 1 1 1 MET CA C 13 55.50 0.1 . . . . . . . . . . 5352 1 8 . 1 1 1 1 MET CB C 13 34.15 0.1 . . . . . . . . . . 5352 1 9 . 1 1 1 1 MET CG C 13 31.38 0.1 . . . . . . . . . . 5352 1 10 . 1 1 2 2 ILE H H 1 8.87 0.02 . . . . . . . . . . 5352 1 11 . 1 1 2 2 ILE HA H 1 4.72 0.02 . . . . . . . . . . 5352 1 12 . 1 1 2 2 ILE HB H 1 1.72 0.02 . . . . . . . . . . 5352 1 13 . 1 1 2 2 ILE HG12 H 1 1.60 0.02 . 2 . . . . . . . . 5352 1 14 . 1 1 2 2 ILE HG13 H 1 1.01 0.02 . 2 . . . . . . . . 5352 1 15 . 1 1 2 2 ILE HG21 H 1 0.86 0.02 . . . . . . . . . . 5352 1 16 . 1 1 2 2 ILE HG22 H 1 0.86 0.02 . . . . . . . . . . 5352 1 17 . 1 1 2 2 ILE HG23 H 1 0.86 0.02 . . . . . . . . . . 5352 1 18 . 1 1 2 2 ILE HD11 H 1 0.86 0.02 . . . . . . . . . . 5352 1 19 . 1 1 2 2 ILE HD12 H 1 0.86 0.02 . . . . . . . . . . 5352 1 20 . 1 1 2 2 ILE HD13 H 1 0.86 0.02 . . . . . . . . . . 5352 1 21 . 1 1 2 2 ILE C C 13 174.66 0.1 . . . . . . . . . . 5352 1 22 . 1 1 2 2 ILE CA C 13 61.39 0.1 . . . . . . . . . . 5352 1 23 . 1 1 2 2 ILE CB C 13 39.98 0.1 . . . . . . . . . . 5352 1 24 . 1 1 2 2 ILE CG1 C 13 28.08 0.1 . . . . . . . . . . 5352 1 25 . 1 1 2 2 ILE CG2 C 13 17.69 0.1 . . . . . . . . . . 5352 1 26 . 1 1 2 2 ILE CD1 C 13 13.58 0.1 . . . . . . . . . . 5352 1 27 . 1 1 2 2 ILE N N 15 127.57 0.1 . . . . . . . . . . 5352 1 28 . 1 1 3 3 VAL H H 1 9.31 0.02 . . . . . . . . . . 5352 1 29 . 1 1 3 3 VAL HA H 1 4.38 0.02 . . . . . . . . . . 5352 1 30 . 1 1 3 3 VAL HB H 1 2.12 0.02 . . . . . . . . . . 5352 1 31 . 1 1 3 3 VAL HG11 H 1 1.07 0.02 . 2 . . . . . . . . 5352 1 32 . 1 1 3 3 VAL HG12 H 1 1.07 0.02 . 2 . . . . . . . . 5352 1 33 . 1 1 3 3 VAL HG13 H 1 1.07 0.02 . 2 . . . . . . . . 5352 1 34 . 1 1 3 3 VAL HG21 H 1 0.81 0.02 . 2 . . . . . . . . 5352 1 35 . 1 1 3 3 VAL HG22 H 1 0.81 0.02 . 2 . . . . . . . . 5352 1 36 . 1 1 3 3 VAL HG23 H 1 0.81 0.02 . 2 . . . . . . . . 5352 1 37 . 1 1 3 3 VAL C C 13 175.32 0.1 . . . . . . . . . . 5352 1 38 . 1 1 3 3 VAL CA C 13 61.60 0.1 . . . . . . . . . . 5352 1 39 . 1 1 3 3 VAL CB C 13 34.90 0.1 . . . . . . . . . . 5352 1 40 . 1 1 3 3 VAL CG1 C 13 22.77 0.1 . 2 . . . . . . . . 5352 1 41 . 1 1 3 3 VAL CG2 C 13 20.97 0.1 . 2 . . . . . . . . 5352 1 42 . 1 1 3 3 VAL N N 15 128.05 0.1 . . . . . . . . . . 5352 1 43 . 1 1 4 4 THR H H 1 8.68 0.02 . . . . . . . . . . 5352 1 44 . 1 1 4 4 THR HA H 1 4.80 0.02 . . . . . . . . . . 5352 1 45 . 1 1 4 4 THR HB H 1 4.68 0.02 . . . . . . . . . . 5352 1 46 . 1 1 4 4 THR HG21 H 1 1.22 0.02 . . . . . . . . . . 5352 1 47 . 1 1 4 4 THR HG22 H 1 1.22 0.02 . . . . . . . . . . 5352 1 48 . 1 1 4 4 THR HG23 H 1 1.22 0.02 . . . . . . . . . . 5352 1 49 . 1 1 4 4 THR C C 13 172.55 0.1 . . . . . . . . . . 5352 1 50 . 1 1 4 4 THR CA C 13 60.88 0.1 . . . . . . . . . . 5352 1 51 . 1 1 4 4 THR CB C 13 70.40 0.1 . . . . . . . . . . 5352 1 52 . 1 1 4 4 THR CG2 C 13 21.88 0.1 . . . . . . . . . . 5352 1 53 . 1 1 4 4 THR N N 15 114.14 0.1 . . . . . . . . . . 5352 1 54 . 1 1 5 5 ASP H H 1 7.04 0.02 . . . . . . . . . . 5352 1 55 . 1 1 5 5 ASP HA H 1 4.53 0.02 . . . . . . . . . . 5352 1 56 . 1 1 5 5 ASP HB2 H 1 2.57 0.02 . 2 . . . . . . . . 5352 1 57 . 1 1 5 5 ASP HB3 H 1 2.49 0.02 . 2 . . . . . . . . 5352 1 58 . 1 1 5 5 ASP C C 13 173.91 0.1 . . . . . . . . . . 5352 1 59 . 1 1 5 5 ASP CA C 13 52.47 0.1 . . . . . . . . . . 5352 1 60 . 1 1 5 5 ASP CB C 13 44.25 0.1 . . . . . . . . . . 5352 1 61 . 1 1 5 5 ASP CG C 13 181.08 0.1 . . . . . . . . . . 5352 1 62 . 1 1 5 5 ASP N N 15 119.98 0.1 . . . . . . . . . . 5352 1 63 . 1 1 6 6 ASN H H 1 8.38 0.02 . . . . . . . . . . 5352 1 64 . 1 1 6 6 ASN HA H 1 4.82 0.02 . . . . . . . . . . 5352 1 65 . 1 1 6 6 ASN HB2 H 1 2.87 0.02 . 2 . . . . . . . . 5352 1 66 . 1 1 6 6 ASN HB3 H 1 2.80 0.02 . 2 . . . . . . . . 5352 1 67 . 1 1 6 6 ASN C C 13 176.22 0.1 . . . . . . . . . . 5352 1 68 . 1 1 6 6 ASN CA C 13 54.57 0.1 . . . . . . . . . . 5352 1 69 . 1 1 6 6 ASN CB C 13 37.48 0.1 . . . . . . . . . . 5352 1 70 . 1 1 6 6 ASN CG C 13 175.66 0.1 . . . . . . . . . . 5352 1 71 . 1 1 6 6 ASN N N 15 119.33 0.1 . . . . . . . . . . 5352 1 72 . 1 1 7 7 SER H H 1 8.69 0.02 . . . . . . . . . . 5352 1 73 . 1 1 7 7 SER HA H 1 4.82 0.02 . . . . . . . . . . 5352 1 74 . 1 1 7 7 SER HB2 H 1 4.03 0.02 . 1 . . . . . . . . 5352 1 75 . 1 1 7 7 SER HB3 H 1 4.03 0.02 . 1 . . . . . . . . 5352 1 76 . 1 1 7 7 SER C C 13 171.62 0.1 . . . . . . . . . . 5352 1 77 . 1 1 7 7 SER CA C 13 58.55 0.1 . . . . . . . . . . 5352 1 78 . 1 1 7 7 SER CB C 13 66.32 0.1 . . . . . . . . . . 5352 1 79 . 1 1 7 7 SER N N 15 117.75 0.1 . . . . . . . . . . 5352 1 80 . 1 1 8 8 ILE H H 1 8.15 0.02 . . . . . . . . . . 5352 1 81 . 1 1 8 8 ILE HA H 1 4.51 0.02 . . . . . . . . . . 5352 1 82 . 1 1 8 8 ILE HB H 1 1.67 0.02 . . . . . . . . . . 5352 1 83 . 1 1 8 8 ILE HG12 H 1 1.53 0.02 . 2 . . . . . . . . 5352 1 84 . 1 1 8 8 ILE HG13 H 1 0.92 0.02 . 2 . . . . . . . . 5352 1 85 . 1 1 8 8 ILE HG21 H 1 0.84 0.02 . . . . . . . . . . 5352 1 86 . 1 1 8 8 ILE HG22 H 1 0.84 0.02 . . . . . . . . . . 5352 1 87 . 1 1 8 8 ILE HG23 H 1 0.84 0.02 . . . . . . . . . . 5352 1 88 . 1 1 8 8 ILE HD11 H 1 0.84 0.02 . . . . . . . . . . 5352 1 89 . 1 1 8 8 ILE HD12 H 1 0.84 0.02 . . . . . . . . . . 5352 1 90 . 1 1 8 8 ILE HD13 H 1 0.84 0.02 . . . . . . . . . . 5352 1 91 . 1 1 8 8 ILE C C 13 174.92 0.1 . . . . . . . . . . 5352 1 92 . 1 1 8 8 ILE CA C 13 59.78 0.1 . . . . . . . . . . 5352 1 93 . 1 1 8 8 ILE CB C 13 42.26 0.1 . . . . . . . . . . 5352 1 94 . 1 1 8 8 ILE CG1 C 13 27.29 0.1 . . . . . . . . . . 5352 1 95 . 1 1 8 8 ILE CG2 C 13 17.57 0.1 . . . . . . . . . . 5352 1 96 . 1 1 8 8 ILE CD1 C 13 14.10 0.1 . . . . . . . . . . 5352 1 97 . 1 1 8 8 ILE N N 15 121.35 0.1 . . . . . . . . . . 5352 1 98 . 1 1 9 9 GLY H H 1 6.82 0.02 . . . . . . . . . . 5352 1 99 . 1 1 9 9 GLY HA2 H 1 4.04 0.02 . 2 . . . . . . . . 5352 1 100 . 1 1 9 9 GLY HA3 H 1 3.76 0.02 . 2 . . . . . . . . 5352 1 101 . 1 1 9 9 GLY C C 13 170.54 0.1 . . . . . . . . . . 5352 1 102 . 1 1 9 9 GLY CA C 13 45.81 0.1 . . . . . . . . . . 5352 1 103 . 1 1 9 9 GLY N N 15 109.63 0.1 . . . . . . . . . . 5352 1 104 . 1 1 10 10 ASN H H 1 8.82 0.02 . . . . . . . . . . 5352 1 105 . 1 1 10 10 ASN HA H 1 5.68 0.02 . . . . . . . . . . 5352 1 106 . 1 1 10 10 ASN HB2 H 1 2.68 0.02 . 2 . . . . . . . . 5352 1 107 . 1 1 10 10 ASN HB3 H 1 2.55 0.02 . 2 . . . . . . . . 5352 1 108 . 1 1 10 10 ASN C C 13 174.16 0.1 . . . . . . . . . . 5352 1 109 . 1 1 10 10 ASN CA C 13 52.99 0.1 . . . . . . . . . . 5352 1 110 . 1 1 10 10 ASN CB C 13 42.66 0.1 . . . . . . . . . . 5352 1 111 . 1 1 10 10 ASN CG C 13 176.06 0.1 . . . . . . . . . . 5352 1 112 . 1 1 10 10 ASN N N 15 120.93 0.1 . . . . . . . . . . 5352 1 113 . 1 1 11 11 HIS H H 1 9.99 0.02 . . . . . . . . . . 5352 1 114 . 1 1 11 11 HIS HA H 1 4.87 0.02 . . . . . . . . . . 5352 1 115 . 1 1 11 11 HIS HB2 H 1 3.17 0.02 . 2 . . . . . . . . 5352 1 116 . 1 1 11 11 HIS HB3 H 1 2.86 0.02 . 2 . . . . . . . . 5352 1 117 . 1 1 11 11 HIS HD2 H 1 7.24 0.02 . . . . . . . . . . 5352 1 118 . 1 1 11 11 HIS HE1 H 1 7.25 0.02 . . . . . . . . . . 5352 1 119 . 1 1 11 11 HIS C C 13 173.69 0.1 . . . . . . . . . . 5352 1 120 . 1 1 11 11 HIS CA C 13 57.75 0.1 . . . . . . . . . . 5352 1 121 . 1 1 11 11 HIS CB C 13 35.91 0.1 . . . . . . . . . . 5352 1 122 . 1 1 11 11 HIS CG C 13 135.40 0.1 . . . . . . . . . . 5352 1 123 . 1 1 11 11 HIS CD2 C 13 117.62 0.1 . . . . . . . . . . 5352 1 124 . 1 1 11 11 HIS CE1 C 13 138.76 0.1 . . . . . . . . . . 5352 1 125 . 1 1 11 11 HIS N N 15 127.87 0.1 . . . . . . . . . . 5352 1 126 . 1 1 11 11 HIS ND1 N 15 166.64 0.1 . . . . . . . . . . 5352 1 127 . 1 1 12 12 ASP H H 1 8.91 0.02 . . . . . . . . . . 5352 1 128 . 1 1 12 12 ASP HA H 1 4.24 0.02 . . . . . . . . . . 5352 1 129 . 1 1 12 12 ASP HB2 H 1 3.29 0.02 . 2 . . . . . . . . 5352 1 130 . 1 1 12 12 ASP HB3 H 1 2.32 0.02 . 2 . . . . . . . . 5352 1 131 . 1 1 12 12 ASP C C 13 174.90 0.1 . . . . . . . . . . 5352 1 132 . 1 1 12 12 ASP CA C 13 54.69 0.1 . . . . . . . . . . 5352 1 133 . 1 1 12 12 ASP CB C 13 39.79 0.1 . . . . . . . . . . 5352 1 134 . 1 1 12 12 ASP CG C 13 181.60 0.1 . . . . . . . . . . 5352 1 135 . 1 1 12 12 ASP N N 15 127.49 0.1 . . . . . . . . . . 5352 1 136 . 1 1 13 13 GLY H H 1 7.63 0.02 . . . . . . . . . . 5352 1 137 . 1 1 13 13 GLY HA2 H 1 4.28 0.02 . 2 . . . . . . . . 5352 1 138 . 1 1 13 13 GLY HA3 H 1 3.67 0.02 . 2 . . . . . . . . 5352 1 139 . 1 1 13 13 GLY C C 13 174.51 0.1 . . . . . . . . . . 5352 1 140 . 1 1 13 13 GLY CA C 13 45.71 0.1 . . . . . . . . . . 5352 1 141 . 1 1 13 13 GLY N N 15 101.89 0.1 . . . . . . . . . . 5352 1 142 . 1 1 14 14 TYR H H 1 8.19 0.02 . . . . . . . . . . 5352 1 143 . 1 1 14 14 TYR HA H 1 4.59 0.02 . . . . . . . . . . 5352 1 144 . 1 1 14 14 TYR HB2 H 1 3.31 0.02 . 2 . . . . . . . . 5352 1 145 . 1 1 14 14 TYR HB3 H 1 2.77 0.02 . 2 . . . . . . . . 5352 1 146 . 1 1 14 14 TYR C C 13 176.01 0.1 . . . . . . . . . . 5352 1 147 . 1 1 14 14 TYR CA C 13 57.50 0.1 . . . . . . . . . . 5352 1 148 . 1 1 14 14 TYR CB C 13 40.50 0.1 . . . . . . . . . . 5352 1 149 . 1 1 14 14 TYR N N 15 121.19 0.1 . . . . . . . . . . 5352 1 150 . 1 1 15 15 ASP H H 1 8.95 0.02 . . . . . . . . . . 5352 1 151 . 1 1 15 15 ASP HA H 1 5.35 0.02 . . . . . . . . . . 5352 1 152 . 1 1 15 15 ASP HB2 H 1 2.94 0.02 . 2 . . . . . . . . 5352 1 153 . 1 1 15 15 ASP HB3 H 1 2.23 0.02 . 2 . . . . . . . . 5352 1 154 . 1 1 15 15 ASP C C 13 175.55 0.1 . . . . . . . . . . 5352 1 155 . 1 1 15 15 ASP CA C 13 55.45 0.1 . . . . . . . . . . 5352 1 156 . 1 1 15 15 ASP CB C 13 41.64 0.1 . . . . . . . . . . 5352 1 157 . 1 1 15 15 ASP CG C 13 181.05 0.1 . . . . . . . . . . 5352 1 158 . 1 1 15 15 ASP N N 15 124.23 0.1 . . . . . . . . . . 5352 1 159 . 1 1 16 16 TYR H H 1 9.44 0.02 . . . . . . . . . . 5352 1 160 . 1 1 16 16 TYR HA H 1 5.91 0.02 . . . . . . . . . . 5352 1 161 . 1 1 16 16 TYR HB2 H 1 3.14 0.02 . 2 . . . . . . . . 5352 1 162 . 1 1 16 16 TYR HB3 H 1 2.60 0.02 . 2 . . . . . . . . 5352 1 163 . 1 1 16 16 TYR C C 13 174.27 0.1 . . . . . . . . . . 5352 1 164 . 1 1 16 16 TYR CA C 13 54.67 0.1 . . . . . . . . . . 5352 1 165 . 1 1 16 16 TYR CB C 13 44.09 0.1 . . . . . . . . . . 5352 1 166 . 1 1 16 16 TYR N N 15 124.97 0.1 . . . . . . . . . . 5352 1 167 . 1 1 17 17 GLU H H 1 8.53 0.02 . . . . . . . . . . 5352 1 168 . 1 1 17 17 GLU HA H 1 5.02 0.02 . . . . . . . . . . 5352 1 169 . 1 1 17 17 GLU HB2 H 1 1.91 0.02 . 2 . . . . . . . . 5352 1 170 . 1 1 17 17 GLU HB3 H 1 1.55 0.02 . 2 . . . . . . . . 5352 1 171 . 1 1 17 17 GLU HG2 H 1 2.47 0.02 . 2 . . . . . . . . 5352 1 172 . 1 1 17 17 GLU HG3 H 1 2.03 0.02 . 2 . . . . . . . . 5352 1 173 . 1 1 17 17 GLU C C 13 173.76 0.1 . . . . . . . . . . 5352 1 174 . 1 1 17 17 GLU CA C 13 56.63 0.1 . . . . . . . . . . 5352 1 175 . 1 1 17 17 GLU CB C 13 32.79 0.1 . . . . . . . . . . 5352 1 176 . 1 1 17 17 GLU CG C 13 35.69 0.1 . . . . . . . . . . 5352 1 177 . 1 1 17 17 GLU CD C 13 181.42 0.1 . . . . . . . . . . 5352 1 178 . 1 1 17 17 GLU N N 15 121.12 0.1 . . . . . . . . . . 5352 1 179 . 1 1 18 18 PHE H H 1 8.97 0.02 . . . . . . . . . . 5352 1 180 . 1 1 18 18 PHE HA H 1 5.13 0.02 . . . . . . . . . . 5352 1 181 . 1 1 18 18 PHE HB2 H 1 3.26 0.02 . 2 . . . . . . . . 5352 1 182 . 1 1 18 18 PHE HB3 H 1 3.15 0.02 . 2 . . . . . . . . 5352 1 183 . 1 1 18 18 PHE C C 13 174.98 0.1 . . . . . . . . . . 5352 1 184 . 1 1 18 18 PHE CA C 13 55.51 0.1 . . . . . . . . . . 5352 1 185 . 1 1 18 18 PHE CB C 13 43.08 0.1 . . . . . . . . . . 5352 1 186 . 1 1 18 18 PHE N N 15 129.80 0.1 . . . . . . . . . . 5352 1 187 . 1 1 19 19 TRP H H 1 8.52 0.02 . . . . . . . . . . 5352 1 188 . 1 1 19 19 TRP HA H 1 4.66 0.02 . . . . . . . . . . 5352 1 189 . 1 1 19 19 TRP HB2 H 1 3.10 0.02 . 2 . . . . . . . . 5352 1 190 . 1 1 19 19 TRP HB3 H 1 2.87 0.02 . 2 . . . . . . . . 5352 1 191 . 1 1 19 19 TRP HD1 H 1 7.40 0.02 . . . . . . . . . . 5352 1 192 . 1 1 19 19 TRP HE1 H 1 9.90 0.02 . . . . . . . . . . 5352 1 193 . 1 1 19 19 TRP C C 13 172.12 0.1 . . . . . . . . . . 5352 1 194 . 1 1 19 19 TRP CA C 13 58.43 0.1 . . . . . . . . . . 5352 1 195 . 1 1 19 19 TRP CB C 13 32.78 0.1 . . . . . . . . . . 5352 1 196 . 1 1 19 19 TRP CG C 13 111.76 0.1 . . . . . . . . . . 5352 1 197 . 1 1 19 19 TRP CD1 C 13 127.88 0.1 . . . . . . . . . . 5352 1 198 . 1 1 19 19 TRP CE2 C 13 138.71 0.1 . . . . . . . . . . 5352 1 199 . 1 1 19 19 TRP N N 15 131.88 0.1 . . . . . . . . . . 5352 1 200 . 1 1 19 19 TRP NE1 N 15 129.21 0.1 . . . . . . . . . . 5352 1 201 . 1 1 20 20 LYS H H 1 8.51 0.02 . . . . . . . . . . 5352 1 202 . 1 1 20 20 LYS HA H 1 4.57 0.02 . . . . . . . . . . 5352 1 203 . 1 1 20 20 LYS HB2 H 1 1.85 0.02 . 2 . . . . . . . . 5352 1 204 . 1 1 20 20 LYS HB3 H 1 1.29 0.02 . 2 . . . . . . . . 5352 1 205 . 1 1 20 20 LYS HG2 H 1 1.55 0.02 . 2 . . . . . . . . 5352 1 206 . 1 1 20 20 LYS C C 13 174.78 0.1 . . . . . . . . . . 5352 1 207 . 1 1 20 20 LYS CA C 13 54.69 0.1 . . . . . . . . . . 5352 1 208 . 1 1 20 20 LYS CB C 13 34.61 0.1 . . . . . . . . . . 5352 1 209 . 1 1 20 20 LYS CG C 13 19.98 0.1 . . . . . . . . . . 5352 1 210 . 1 1 20 20 LYS CD C 13 28.63 0.1 . . . . . . . . . . 5352 1 211 . 1 1 20 20 LYS CE C 13 40.15 0.1 . . . . . . . . . . 5352 1 212 . 1 1 20 20 LYS N N 15 126.15 0.1 . . . . . . . . . . 5352 1 213 . 1 1 21 21 ASP H H 1 7.56 0.02 . . . . . . . . . . 5352 1 214 . 1 1 21 21 ASP HA H 1 4.38 0.02 . . . . . . . . . . 5352 1 215 . 1 1 21 21 ASP HB2 H 1 3.20 0.02 . 2 . . . . . . . . 5352 1 216 . 1 1 21 21 ASP HB3 H 1 2.80 0.02 . 2 . . . . . . . . 5352 1 217 . 1 1 21 21 ASP C C 13 175.69 0.1 . . . . . . . . . . 5352 1 218 . 1 1 21 21 ASP CA C 13 51.42 0.1 . . . . . . . . . . 5352 1 219 . 1 1 21 21 ASP CB C 13 40.18 0.1 . . . . . . . . . . 5352 1 220 . 1 1 21 21 ASP CG C 13 178.83 0.1 . . . . . . . . . . 5352 1 221 . 1 1 21 21 ASP N N 15 120.60 0.1 . . . . . . . . . . 5352 1 222 . 1 1 22 22 SER H H 1 7.98 0.02 . . . . . . . . . . 5352 1 223 . 1 1 22 22 SER HA H 1 4.18 0.02 . . . . . . . . . . 5352 1 224 . 1 1 22 22 SER HB2 H 1 3.89 0.02 . 1 . . . . . . . . 5352 1 225 . 1 1 22 22 SER HB3 H 1 3.89 0.02 . 1 . . . . . . . . 5352 1 226 . 1 1 22 22 SER C C 13 175.16 0.1 . . . . . . . . . . 5352 1 227 . 1 1 22 22 SER CA C 13 60.67 0.1 . . . . . . . . . . 5352 1 228 . 1 1 22 22 SER CB C 13 63.41 0.1 . . . . . . . . . . 5352 1 229 . 1 1 22 22 SER N N 15 113.26 0.1 . . . . . . . . . . 5352 1 230 . 1 1 23 23 GLY H H 1 8.37 0.02 . . . . . . . . . . 5352 1 231 . 1 1 23 23 GLY HA2 H 1 4.51 0.02 . 2 . . . . . . . . 5352 1 232 . 1 1 23 23 GLY HA3 H 1 3.77 0.02 . 2 . . . . . . . . 5352 1 233 . 1 1 23 23 GLY C C 13 176.24 0.1 . . . . . . . . . . 5352 1 234 . 1 1 23 23 GLY CA C 13 44.48 0.1 . . . . . . . . . . 5352 1 235 . 1 1 23 23 GLY N N 15 111.61 0.1 . . . . . . . . . . 5352 1 236 . 1 1 24 24 GLY H H 1 8.73 0.02 . . . . . . . . . . 5352 1 237 . 1 1 24 24 GLY HA2 H 1 4.23 0.02 . 2 . . . . . . . . 5352 1 238 . 1 1 24 24 GLY HA3 H 1 3.85 0.02 . 2 . . . . . . . . 5352 1 239 . 1 1 24 24 GLY C C 13 173.69 0.1 . . . . . . . . . . 5352 1 240 . 1 1 24 24 GLY CA C 13 46.47 0.1 . . . . . . . . . . 5352 1 241 . 1 1 24 24 GLY N N 15 113.66 0.1 . . . . . . . . . . 5352 1 242 . 1 1 25 25 SER H H 1 8.66 0.02 . . . . . . . . . . 5352 1 243 . 1 1 25 25 SER HA H 1 4.94 0.02 . . . . . . . . . . 5352 1 244 . 1 1 25 25 SER HB2 H 1 4.01 0.02 . 2 . . . . . . . . 5352 1 245 . 1 1 25 25 SER HB3 H 1 3.95 0.02 . 2 . . . . . . . . 5352 1 246 . 1 1 25 25 SER C C 13 172.43 0.1 . . . . . . . . . . 5352 1 247 . 1 1 25 25 SER CA C 13 57.12 0.1 . . . . . . . . . . 5352 1 248 . 1 1 25 25 SER CB C 13 66.62 0.1 . . . . . . . . . . 5352 1 249 . 1 1 25 25 SER N N 15 112.40 0.1 . . . . . . . . . . 5352 1 250 . 1 1 26 26 GLY H H 1 9.05 0.02 . . . . . . . . . . 5352 1 251 . 1 1 26 26 GLY HA2 H 1 5.34 0.02 . 2 . . . . . . . . 5352 1 252 . 1 1 26 26 GLY HA3 H 1 3.99 0.02 . 2 . . . . . . . . 5352 1 253 . 1 1 26 26 GLY C C 13 171.78 0.1 . . . . . . . . . . 5352 1 254 . 1 1 26 26 GLY CA C 13 46.51 0.1 . . . . . . . . . . 5352 1 255 . 1 1 26 26 GLY N N 15 107.36 0.1 . . . . . . . . . . 5352 1 256 . 1 1 27 27 THR H H 1 9.22 0.02 . . . . . . . . . . 5352 1 257 . 1 1 27 27 THR HA H 1 4.95 0.02 . . . . . . . . . . 5352 1 258 . 1 1 27 27 THR HB H 1 3.92 0.02 . . . . . . . . . . 5352 1 259 . 1 1 27 27 THR HG21 H 1 1.14 0.02 . . . . . . . . . . 5352 1 260 . 1 1 27 27 THR HG22 H 1 1.14 0.02 . . . . . . . . . . 5352 1 261 . 1 1 27 27 THR HG23 H 1 1.14 0.02 . . . . . . . . . . 5352 1 262 . 1 1 27 27 THR C C 13 172.53 0.1 . . . . . . . . . . 5352 1 263 . 1 1 27 27 THR CA C 13 62.36 0.1 . . . . . . . . . . 5352 1 264 . 1 1 27 27 THR CB C 13 72.71 0.1 . . . . . . . . . . 5352 1 265 . 1 1 27 27 THR CG2 C 13 22.19 0.1 . . . . . . . . . . 5352 1 266 . 1 1 27 27 THR N N 15 114.16 0.1 . . . . . . . . . . 5352 1 267 . 1 1 28 28 MET H H 1 9.59 0.02 . . . . . . . . . . 5352 1 268 . 1 1 28 28 MET HA H 1 5.42 0.02 . . . . . . . . . . 5352 1 269 . 1 1 28 28 MET HB2 H 1 2.35 0.02 . 2 . . . . . . . . 5352 1 270 . 1 1 28 28 MET HB3 H 1 2.24 0.02 . 2 . . . . . . . . 5352 1 271 . 1 1 28 28 MET HG2 H 1 2.57 0.02 . 2 . . . . . . . . 5352 1 272 . 1 1 28 28 MET HG3 H 1 2.38 0.02 . 2 . . . . . . . . 5352 1 273 . 1 1 28 28 MET C C 13 173.32 0.1 . . . . . . . . . . 5352 1 274 . 1 1 28 28 MET CA C 13 54.07 0.1 . . . . . . . . . . 5352 1 275 . 1 1 28 28 MET CB C 13 37.29 0.1 . . . . . . . . . . 5352 1 276 . 1 1 28 28 MET CG C 13 33.33 0.1 . . . . . . . . . . 5352 1 277 . 1 1 28 28 MET N N 15 129.66 0.1 . . . . . . . . . . 5352 1 278 . 1 1 29 29 ILE H H 1 9.16 0.02 . . . . . . . . . . 5352 1 279 . 1 1 29 29 ILE HA H 1 4.95 0.02 . . . . . . . . . . 5352 1 280 . 1 1 29 29 ILE HB H 1 1.97 0.02 . . . . . . . . . . 5352 1 281 . 1 1 29 29 ILE HG12 H 1 1.53 0.02 . 2 . . . . . . . . 5352 1 282 . 1 1 29 29 ILE HG13 H 1 1 0.02 . 2 . . . . . . . . 5352 1 283 . 1 1 29 29 ILE HG21 H 1 0.78 0.02 . . . . . . . . . . 5352 1 284 . 1 1 29 29 ILE HG22 H 1 0.78 0.02 . . . . . . . . . . 5352 1 285 . 1 1 29 29 ILE HG23 H 1 0.78 0.02 . . . . . . . . . . 5352 1 286 . 1 1 29 29 ILE HD11 H 1 0.78 0.02 . . . . . . . . . . 5352 1 287 . 1 1 29 29 ILE HD12 H 1 0.78 0.02 . . . . . . . . . . 5352 1 288 . 1 1 29 29 ILE HD13 H 1 0.78 0.02 . . . . . . . . . . 5352 1 289 . 1 1 29 29 ILE C C 13 175.93 0.1 . . . . . . . . . . 5352 1 290 . 1 1 29 29 ILE CA C 13 60.71 0.1 . . . . . . . . . . 5352 1 291 . 1 1 29 29 ILE CB C 13 38.27 0.1 . . . . . . . . . . 5352 1 292 . 1 1 29 29 ILE CG1 C 13 27.80 0.1 . . . . . . . . . . 5352 1 293 . 1 1 29 29 ILE CG2 C 13 17.45 0.1 . . . . . . . . . . 5352 1 294 . 1 1 29 29 ILE CD1 C 13 13.11 0.1 . . . . . . . . . . 5352 1 295 . 1 1 29 29 ILE N N 15 127.93 0.1 . . . . . . . . . . 5352 1 296 . 1 1 30 30 LEU H H 1 8.57 0.02 . . . . . . . . . . 5352 1 297 . 1 1 30 30 LEU HA H 1 4.18 0.02 . . . . . . . . . . 5352 1 298 . 1 1 30 30 LEU HB2 H 1 1.03 0.02 . 2 . . . . . . . . 5352 1 299 . 1 1 30 30 LEU HB3 H 1 0.41 0.02 . 2 . . . . . . . . 5352 1 300 . 1 1 30 30 LEU HG H 1 1.19 0.02 . . . . . . . . . . 5352 1 301 . 1 1 30 30 LEU HD11 H 1 -0.09 0.02 . 1 . . . . . . . . 5352 1 302 . 1 1 30 30 LEU HD12 H 1 -0.09 0.02 . 1 . . . . . . . . 5352 1 303 . 1 1 30 30 LEU HD13 H 1 -0.09 0.02 . 1 . . . . . . . . 5352 1 304 . 1 1 30 30 LEU HD21 H 1 -0.09 0.02 . 1 . . . . . . . . 5352 1 305 . 1 1 30 30 LEU HD22 H 1 -0.09 0.02 . 1 . . . . . . . . 5352 1 306 . 1 1 30 30 LEU HD23 H 1 -0.09 0.02 . 1 . . . . . . . . 5352 1 307 . 1 1 30 30 LEU C C 13 174.44 0.1 . . . . . . . . . . 5352 1 308 . 1 1 30 30 LEU CA C 13 54.72 0.1 . . . . . . . . . . 5352 1 309 . 1 1 30 30 LEU CB C 13 40.10 0.1 . . . . . . . . . . 5352 1 310 . 1 1 30 30 LEU CG C 13 25.97 0.1 . . . . . . . . . . 5352 1 311 . 1 1 30 30 LEU CD1 C 13 24.81 0.1 . . . . . . . . . . 5352 1 312 . 1 1 30 30 LEU CD2 C 13 23.12 0.1 . . . . . . . . . . 5352 1 313 . 1 1 30 30 LEU N N 15 125.54 0.1 . . . . . . . . . . 5352 1 314 . 1 1 31 31 ASN H H 1 7.42 0.02 . . . . . . . . . . 5352 1 315 . 1 1 31 31 ASN HA H 1 5.18 0.02 . . . . . . . . . . 5352 1 316 . 1 1 31 31 ASN HB2 H 1 2.99 0.02 . 2 . . . . . . . . 5352 1 317 . 1 1 31 31 ASN HB3 H 1 2.58 0.02 . 2 . . . . . . . . 5352 1 318 . 1 1 31 31 ASN C C 13 173.60 0.1 . . . . . . . . . . 5352 1 319 . 1 1 31 31 ASN CA C 13 51.59 0.1 . . . . . . . . . . 5352 1 320 . 1 1 31 31 ASN CB C 13 41.90 0.1 . . . . . . . . . . 5352 1 321 . 1 1 31 31 ASN CG C 13 176.47 0.1 . . . . . . . . . . 5352 1 322 . 1 1 31 31 ASN N N 15 124.53 0.1 . . . . . . . . . . 5352 1 323 . 1 1 32 32 HIS H H 1 7.86 0.02 . . . . . . . . . . 5352 1 324 . 1 1 32 32 HIS HA H 1 4.61 0.02 . . . . . . . . . . 5352 1 325 . 1 1 32 32 HIS HB2 H 1 3.30 0.02 . 1 . . . . . . . . 5352 1 326 . 1 1 32 32 HIS HB3 H 1 3.30 0.02 . 1 . . . . . . . . 5352 1 327 . 1 1 32 32 HIS HD2 H 1 7.40 0.02 . . . . . . . . . . 5352 1 328 . 1 1 32 32 HIS HE1 H 1 8.68 0.02 . . . . . . . . . . 5352 1 329 . 1 1 32 32 HIS C C 13 177.66 0.1 . . . . . . . . . . 5352 1 330 . 1 1 32 32 HIS CA C 13 56.65 0.1 . . . . . . . . . . 5352 1 331 . 1 1 32 32 HIS CB C 13 29.40 0.1 . . . . . . . . . . 5352 1 332 . 1 1 32 32 HIS CG C 13 131 0.1 . . . . . . . . . . 5352 1 333 . 1 1 32 32 HIS CD2 C 13 120.30 0.1 . . . . . . . . . . 5352 1 334 . 1 1 32 32 HIS CE1 C 13 136.60 0.1 . . . . . . . . . . 5352 1 335 . 1 1 32 32 HIS N N 15 112.05 0.1 . . . . . . . . . . 5352 1 336 . 1 1 32 32 HIS ND1 N 15 180.23 0.1 . . . . . . . . . . 5352 1 337 . 1 1 32 32 HIS NE2 N 15 173.89 0.1 . . . . . . . . . . 5352 1 338 . 1 1 33 33 GLY H H 1 10.88 0.02 . . . . . . . . . . 5352 1 339 . 1 1 33 33 GLY HA2 H 1 3.90 0.02 . 1 . . . . . . . . 5352 1 340 . 1 1 33 33 GLY HA3 H 1 3.90 0.02 . 1 . . . . . . . . 5352 1 341 . 1 1 33 33 GLY C C 13 173.99 0.1 . . . . . . . . . . 5352 1 342 . 1 1 33 33 GLY CA C 13 46.95 0.1 . . . . . . . . . . 5352 1 343 . 1 1 33 33 GLY N N 15 116.62 0.1 . . . . . . . . . . 5352 1 344 . 1 1 34 34 GLY H H 1 9.07 0.02 . . . . . . . . . . 5352 1 345 . 1 1 34 34 GLY HA2 H 1 3.49 0.02 . 2 . . . . . . . . 5352 1 346 . 1 1 34 34 GLY HA3 H 1 2.98 0.02 . 2 . . . . . . . . 5352 1 347 . 1 1 34 34 GLY C C 13 175.77 0.1 . . . . . . . . . . 5352 1 348 . 1 1 34 34 GLY CA C 13 45 0.1 . . . . . . . . . . 5352 1 349 . 1 1 34 34 GLY N N 15 117.54 0.1 . . . . . . . . . . 5352 1 350 . 1 1 35 35 THR H H 1 7.98 0.02 . . . . . . . . . . 5352 1 351 . 1 1 35 35 THR HA H 1 4.81 0.02 . . . . . . . . . . 5352 1 352 . 1 1 35 35 THR HB H 1 4.19 0.02 . . . . . . . . . . 5352 1 353 . 1 1 35 35 THR HG21 H 1 1.02 0.02 . . . . . . . . . . 5352 1 354 . 1 1 35 35 THR HG22 H 1 1.02 0.02 . . . . . . . . . . 5352 1 355 . 1 1 35 35 THR HG23 H 1 1.02 0.02 . . . . . . . . . . 5352 1 356 . 1 1 35 35 THR C C 13 175.15 0.1 . . . . . . . . . . 5352 1 357 . 1 1 35 35 THR CA C 13 63.42 0.1 . . . . . . . . . . 5352 1 358 . 1 1 35 35 THR CB C 13 70.31 0.1 . . . . . . . . . . 5352 1 359 . 1 1 35 35 THR CG2 C 13 21.80 0.1 . . . . . . . . . . 5352 1 360 . 1 1 35 35 THR N N 15 111.84 0.1 . . . . . . . . . . 5352 1 361 . 1 1 36 36 PHE H H 1 8 0.02 . . . . . . . . . . 5352 1 362 . 1 1 36 36 PHE HA H 1 5.43 0.02 . . . . . . . . . . 5352 1 363 . 1 1 36 36 PHE HB2 H 1 3.44 0.02 . 2 . . . . . . . . 5352 1 364 . 1 1 36 36 PHE HB3 H 1 3.01 0.02 . 2 . . . . . . . . 5352 1 365 . 1 1 36 36 PHE C C 13 171.92 0.1 . . . . . . . . . . 5352 1 366 . 1 1 36 36 PHE CA C 13 57.15 0.1 . . . . . . . . . . 5352 1 367 . 1 1 36 36 PHE CB C 13 40.10 0.1 . . . . . . . . . . 5352 1 368 . 1 1 36 36 PHE N N 15 113.85 0.1 . . . . . . . . . . 5352 1 369 . 1 1 37 37 SER H H 1 9.57 0.02 . . . . . . . . . . 5352 1 370 . 1 1 37 37 SER HA H 1 5.21 0.02 . . . . . . . . . . 5352 1 371 . 1 1 37 37 SER HB2 H 1 4.07 0.02 . 2 . . . . . . . . 5352 1 372 . 1 1 37 37 SER HB3 H 1 3.93 0.02 . 2 . . . . . . . . 5352 1 373 . 1 1 37 37 SER C C 13 172.57 0.1 . . . . . . . . . . 5352 1 374 . 1 1 37 37 SER CA C 13 56.75 0.1 . . . . . . . . . . 5352 1 375 . 1 1 37 37 SER CB C 13 65.91 0.1 . . . . . . . . . . 5352 1 376 . 1 1 37 37 SER N N 15 114.84 0.1 . . . . . . . . . . 5352 1 377 . 1 1 38 38 ALA H H 1 9.43 0.02 . . . . . . . . . . 5352 1 378 . 1 1 38 38 ALA HA H 1 5.20 0.02 . . . . . . . . . . 5352 1 379 . 1 1 38 38 ALA HB1 H 1 0.38 0.02 . . . . . . . . . . 5352 1 380 . 1 1 38 38 ALA HB2 H 1 0.38 0.02 . . . . . . . . . . 5352 1 381 . 1 1 38 38 ALA HB3 H 1 0.38 0.02 . . . . . . . . . . 5352 1 382 . 1 1 38 38 ALA C C 13 175.87 0.1 . . . . . . . . . . 5352 1 383 . 1 1 38 38 ALA CA C 13 51.26 0.1 . . . . . . . . . . 5352 1 384 . 1 1 38 38 ALA CB C 13 21.31 0.1 . . . . . . . . . . 5352 1 385 . 1 1 38 38 ALA N N 15 125.89 0.1 . . . . . . . . . . 5352 1 386 . 1 1 39 39 GLN H H 1 8.69 0.02 . . . . . . . . . . 5352 1 387 . 1 1 39 39 GLN HA H 1 5.02 0.02 . . . . . . . . . . 5352 1 388 . 1 1 39 39 GLN HB2 H 1 2.10 0.02 . 1 . . . . . . . . 5352 1 389 . 1 1 39 39 GLN HB3 H 1 2.10 0.02 . 1 . . . . . . . . 5352 1 390 . 1 1 39 39 GLN HG2 H 1 2.39 0.02 . 2 . . . . . . . . 5352 1 391 . 1 1 39 39 GLN HG3 H 1 2.11 0.02 . 2 . . . . . . . . 5352 1 392 . 1 1 39 39 GLN C C 13 173.80 0.1 . . . . . . . . . . 5352 1 393 . 1 1 39 39 GLN CA C 13 55.46 0.1 . . . . . . . . . . 5352 1 394 . 1 1 39 39 GLN CB C 13 32.27 0.1 . . . . . . . . . . 5352 1 395 . 1 1 39 39 GLN CG C 13 34.01 0.1 . . . . . . . . . . 5352 1 396 . 1 1 39 39 GLN CD C 13 180.26 0.1 . . . . . . . . . . 5352 1 397 . 1 1 39 39 GLN N N 15 122.09 0.1 . . . . . . . . . . 5352 1 398 . 1 1 40 40 TRP H H 1 8.98 0.02 . . . . . . . . . . 5352 1 399 . 1 1 40 40 TRP HA H 1 5.85 0.02 . . . . . . . . . . 5352 1 400 . 1 1 40 40 TRP HB2 H 1 3.73 0.02 . 2 . . . . . . . . 5352 1 401 . 1 1 40 40 TRP HB3 H 1 3.47 0.02 . 2 . . . . . . . . 5352 1 402 . 1 1 40 40 TRP HD1 H 1 7.30 0.02 . . . . . . . . . . 5352 1 403 . 1 1 40 40 TRP HE1 H 1 9.58 0.02 . . . . . . . . . . 5352 1 404 . 1 1 40 40 TRP C C 13 174.35 0.1 . . . . . . . . . . 5352 1 405 . 1 1 40 40 TRP CA C 13 57.10 0.1 . . . . . . . . . . 5352 1 406 . 1 1 40 40 TRP CB C 13 33.76 0.1 . . . . . . . . . . 5352 1 407 . 1 1 40 40 TRP CG C 13 110.96 0.1 . . . . . . . . . . 5352 1 408 . 1 1 40 40 TRP CD1 C 13 128.94 0.1 . . . . . . . . . . 5352 1 409 . 1 1 40 40 TRP CE2 C 13 139.03 0.1 . . . . . . . . . . 5352 1 410 . 1 1 40 40 TRP N N 15 122.97 0.1 . . . . . . . . . . 5352 1 411 . 1 1 40 40 TRP NE1 N 15 127.87 0.1 . . . . . . . . . . 5352 1 412 . 1 1 41 41 ASN H H 1 9.24 0.02 . . . . . . . . . . 5352 1 413 . 1 1 41 41 ASN HA H 1 5.16 0.02 . . . . . . . . . . 5352 1 414 . 1 1 41 41 ASN HB2 H 1 2.66 0.02 . 2 . . . . . . . . 5352 1 415 . 1 1 41 41 ASN HB3 H 1 2.55 0.02 . 2 . . . . . . . . 5352 1 416 . 1 1 41 41 ASN C C 13 172.59 0.1 . . . . . . . . . . 5352 1 417 . 1 1 41 41 ASN CA C 13 53.22 0.1 . . . . . . . . . . 5352 1 418 . 1 1 41 41 ASN CB C 13 42.23 0.1 . . . . . . . . . . 5352 1 419 . 1 1 41 41 ASN CG C 13 176.06 0.1 . . . . . . . . . . 5352 1 420 . 1 1 41 41 ASN N N 15 120.01 0.1 . . . . . . . . . . 5352 1 421 . 1 1 42 42 ASN H H 1 8.94 0.02 . . . . . . . . . . 5352 1 422 . 1 1 42 42 ASN HA H 1 4.24 0.02 . . . . . . . . . . 5352 1 423 . 1 1 42 42 ASN HB2 H 1 2.99 0.02 . 2 . . . . . . . . 5352 1 424 . 1 1 42 42 ASN HB3 H 1 2.70 0.02 . 2 . . . . . . . . 5352 1 425 . 1 1 42 42 ASN C C 13 173.68 0.1 . . . . . . . . . . 5352 1 426 . 1 1 42 42 ASN CA C 13 54.28 0.1 . . . . . . . . . . 5352 1 427 . 1 1 42 42 ASN CB C 13 37.34 0.1 . . . . . . . . . . 5352 1 428 . 1 1 42 42 ASN CG C 13 178.49 0.1 . . . . . . . . . . 5352 1 429 . 1 1 42 42 ASN N N 15 122.12 0.1 . . . . . . . . . . 5352 1 430 . 1 1 43 43 VAL H H 1 7.49 0.02 . . . . . . . . . . 5352 1 431 . 1 1 43 43 VAL HA H 1 4.31 0.02 . . . . . . . . . . 5352 1 432 . 1 1 43 43 VAL HB H 1 2.39 0.02 . . . . . . . . . . 5352 1 433 . 1 1 43 43 VAL HG11 H 1 1.10 0.02 . 2 . . . . . . . . 5352 1 434 . 1 1 43 43 VAL HG12 H 1 1.10 0.02 . 2 . . . . . . . . 5352 1 435 . 1 1 43 43 VAL HG13 H 1 1.10 0.02 . 2 . . . . . . . . 5352 1 436 . 1 1 43 43 VAL HG21 H 1 0.83 0.02 . 2 . . . . . . . . 5352 1 437 . 1 1 43 43 VAL HG22 H 1 0.83 0.02 . 2 . . . . . . . . 5352 1 438 . 1 1 43 43 VAL HG23 H 1 0.83 0.02 . 2 . . . . . . . . 5352 1 439 . 1 1 43 43 VAL C C 13 176.48 0.1 . . . . . . . . . . 5352 1 440 . 1 1 43 43 VAL CA C 13 59.97 0.1 . . . . . . . . . . 5352 1 441 . 1 1 43 43 VAL CB C 13 32.28 0.1 . . . . . . . . . . 5352 1 442 . 1 1 43 43 VAL CG1 C 13 23.89 0.1 . 2 . . . . . . . . 5352 1 443 . 1 1 43 43 VAL CG2 C 13 17.67 0.1 . 2 . . . . . . . . 5352 1 444 . 1 1 43 43 VAL N N 15 107.31 0.1 . . . . . . . . . . 5352 1 445 . 1 1 44 44 ASN H H 1 9.85 0.02 . . . . . . . . . . 5352 1 446 . 1 1 44 44 ASN HA H 1 4.90 0.02 . . . . . . . . . . 5352 1 447 . 1 1 44 44 ASN HB2 H 1 3.52 0.02 . 2 . . . . . . . . 5352 1 448 . 1 1 44 44 ASN HB3 H 1 2.87 0.02 . 2 . . . . . . . . 5352 1 449 . 1 1 44 44 ASN C C 13 174.52 0.1 . . . . . . . . . . 5352 1 450 . 1 1 44 44 ASN CA C 13 56.95 0.1 . . . . . . . . . . 5352 1 451 . 1 1 44 44 ASN CB C 13 38.71 0.1 . . . . . . . . . . 5352 1 452 . 1 1 44 44 ASN CG C 13 177.82 0.1 . . . . . . . . . . 5352 1 453 . 1 1 44 44 ASN N N 15 121.53 0.1 . . . . . . . . . . 5352 1 454 . 1 1 45 45 ASN H H 1 9.47 0.02 . . . . . . . . . . 5352 1 455 . 1 1 45 45 ASN HA H 1 5.35 0.02 . . . . . . . . . . 5352 1 456 . 1 1 45 45 ASN HB2 H 1 2.84 0.02 . 2 . . . . . . . . 5352 1 457 . 1 1 45 45 ASN HB3 H 1 2.76 0.02 . 2 . . . . . . . . 5352 1 458 . 1 1 45 45 ASN C C 13 171.82 0.1 . . . . . . . . . . 5352 1 459 . 1 1 45 45 ASN CA C 13 53.08 0.1 . . . . . . . . . . 5352 1 460 . 1 1 45 45 ASN CB C 13 43.04 0.1 . . . . . . . . . . 5352 1 461 . 1 1 45 45 ASN CG C 13 176.83 0.1 . . . . . . . . . . 5352 1 462 . 1 1 45 45 ASN N N 15 118.32 0.1 . . . . . . . . . . 5352 1 463 . 1 1 46 46 ILE H H 1 8.16 0.02 . . . . . . . . . . 5352 1 464 . 1 1 46 46 ILE HA H 1 5.09 0.02 . . . . . . . . . . 5352 1 465 . 1 1 46 46 ILE HB H 1 1.14 0.02 . . . . . . . . . . 5352 1 466 . 1 1 46 46 ILE HG21 H 1 0.49 0.02 . . . . . . . . . . 5352 1 467 . 1 1 46 46 ILE HG22 H 1 0.49 0.02 . . . . . . . . . . 5352 1 468 . 1 1 46 46 ILE HG23 H 1 0.49 0.02 . . . . . . . . . . 5352 1 469 . 1 1 46 46 ILE HD11 H 1 0.21 0.02 . . . . . . . . . . 5352 1 470 . 1 1 46 46 ILE HD12 H 1 0.21 0.02 . . . . . . . . . . 5352 1 471 . 1 1 46 46 ILE HD13 H 1 0.21 0.02 . . . . . . . . . . 5352 1 472 . 1 1 46 46 ILE C C 13 171.59 0.1 . . . . . . . . . . 5352 1 473 . 1 1 46 46 ILE CA C 13 59.24 0.1 . . . . . . . . . . 5352 1 474 . 1 1 46 46 ILE CB C 13 42.59 0.1 . . . . . . . . . . 5352 1 475 . 1 1 46 46 ILE CG1 C 13 27.31 0.1 . . . . . . . . . . 5352 1 476 . 1 1 46 46 ILE CG2 C 13 17.83 0.1 . . . . . . . . . . 5352 1 477 . 1 1 46 46 ILE CD1 C 13 16.18 0.1 . . . . . . . . . . 5352 1 478 . 1 1 46 46 ILE N N 15 120.23 0.1 . . . . . . . . . . 5352 1 479 . 1 1 47 47 LEU H H 1 9.19 0.02 . . . . . . . . . . 5352 1 480 . 1 1 47 47 LEU HA H 1 4.91 0.02 . . . . . . . . . . 5352 1 481 . 1 1 47 47 LEU HB2 H 1 1.34 0.02 . 2 . . . . . . . . 5352 1 482 . 1 1 47 47 LEU HB3 H 1 1.11 0.02 . 2 . . . . . . . . 5352 1 483 . 1 1 47 47 LEU HD11 H 1 0.62 0.02 . 2 . . . . . . . . 5352 1 484 . 1 1 47 47 LEU HD12 H 1 0.62 0.02 . 2 . . . . . . . . 5352 1 485 . 1 1 47 47 LEU HD13 H 1 0.62 0.02 . 2 . . . . . . . . 5352 1 486 . 1 1 47 47 LEU HD21 H 1 0.18 0.02 . 2 . . . . . . . . 5352 1 487 . 1 1 47 47 LEU HD22 H 1 0.18 0.02 . 2 . . . . . . . . 5352 1 488 . 1 1 47 47 LEU HD23 H 1 0.18 0.02 . 2 . . . . . . . . 5352 1 489 . 1 1 47 47 LEU C C 13 174.25 0.1 . . . . . . . . . . 5352 1 490 . 1 1 47 47 LEU CA C 13 55.74 0.1 . . . . . . . . . . 5352 1 491 . 1 1 47 47 LEU CB C 13 47.34 0.1 . . . . . . . . . . 5352 1 492 . 1 1 47 47 LEU CG C 13 28.67 0.1 . . . . . . . . . . 5352 1 493 . 1 1 47 47 LEU CD1 C 13 26.23 0.1 . . . . . . . . . . 5352 1 494 . 1 1 47 47 LEU CD2 C 13 25.37 0.1 . . . . . . . . . . 5352 1 495 . 1 1 47 47 LEU N N 15 125.48 0.1 . . . . . . . . . . 5352 1 496 . 1 1 48 48 PHE H H 1 8.72 0.02 . . . . . . . . . . 5352 1 497 . 1 1 48 48 PHE HA H 1 5.08 0.02 . . . . . . . . . . 5352 1 498 . 1 1 48 48 PHE HB2 H 1 3.05 0.02 . 2 . . . . . . . . 5352 1 499 . 1 1 48 48 PHE HB3 H 1 2.88 0.02 . 2 . . . . . . . . 5352 1 500 . 1 1 48 48 PHE C C 13 175.13 0.1 . . . . . . . . . . 5352 1 501 . 1 1 48 48 PHE CA C 13 55.50 0.1 . . . . . . . . . . 5352 1 502 . 1 1 48 48 PHE CB C 13 42.42 0.1 . . . . . . . . . . 5352 1 503 . 1 1 48 48 PHE N N 15 119.60 0.1 . . . . . . . . . . 5352 1 504 . 1 1 49 49 ARG H H 1 8.42 0.02 . . . . . . . . . . 5352 1 505 . 1 1 49 49 ARG HA H 1 5.43 0.02 . . . . . . . . . . 5352 1 506 . 1 1 49 49 ARG HB2 H 1 1.70 0.02 . 1 . . . . . . . . 5352 1 507 . 1 1 49 49 ARG HB3 H 1 1.70 0.02 . 1 . . . . . . . . 5352 1 508 . 1 1 49 49 ARG HG2 H 1 1.61 0.02 . 2 . . . . . . . . 5352 1 509 . 1 1 49 49 ARG HG3 H 1 1.25 0.02 . 2 . . . . . . . . 5352 1 510 . 1 1 49 49 ARG HD2 H 1 2.90 0.02 . . . . . . . . . . 5352 1 511 . 1 1 49 49 ARG HD3 H 1 2.65 0.02 . . . . . . . . . . 5352 1 512 . 1 1 49 49 ARG C C 13 175.38 0.1 . . . . . . . . . . 5352 1 513 . 1 1 49 49 ARG CA C 13 55.30 0.1 . . . . . . . . . . 5352 1 514 . 1 1 49 49 ARG CB C 13 35.23 0.1 . . . . . . . . . . 5352 1 515 . 1 1 49 49 ARG CG C 13 26.55 0.1 . . . . . . . . . . 5352 1 516 . 1 1 49 49 ARG CD C 13 46.11 0.1 . . . . . . . . . . 5352 1 517 . 1 1 49 49 ARG N N 15 118.44 0.1 . . . . . . . . . . 5352 1 518 . 1 1 50 50 LYS H H 1 8.23 0.02 . . . . . . . . . . 5352 1 519 . 1 1 50 50 LYS HA H 1 5.16 0.02 . . . . . . . . . . 5352 1 520 . 1 1 50 50 LYS HB2 H 1 1.90 0.02 . 2 . . . . . . . . 5352 1 521 . 1 1 50 50 LYS HB3 H 1 1.84 0.02 . 2 . . . . . . . . 5352 1 522 . 1 1 50 50 LYS HG2 H 1 1.68 0.02 . 2 . . . . . . . . 5352 1 523 . 1 1 50 50 LYS HG3 H 1 1.52 0.02 . 2 . . . . . . . . 5352 1 524 . 1 1 50 50 LYS HE2 H 1 3.22 0.02 . . . . . . . . . . 5352 1 525 . 1 1 50 50 LYS HE3 H 1 2.90 0.02 . . . . . . . . . . 5352 1 526 . 1 1 50 50 LYS C C 13 176.84 0.1 . . . . . . . . . . 5352 1 527 . 1 1 50 50 LYS CA C 13 57.33 0.1 . . . . . . . . . . 5352 1 528 . 1 1 50 50 LYS CB C 13 39.54 0.1 . . . . . . . . . . 5352 1 529 . 1 1 50 50 LYS CG C 13 29.93 0.1 . . . . . . . . . . 5352 1 530 . 1 1 50 50 LYS CD C 13 31.53 0.1 . . . . . . . . . . 5352 1 531 . 1 1 50 50 LYS CE C 13 42.13 0.1 . . . . . . . . . . 5352 1 532 . 1 1 50 50 LYS N N 15 120.29 0.1 . . . . . . . . . . 5352 1 533 . 1 1 51 51 GLY H H 1 9.43 0.02 . . . . . . . . . . 5352 1 534 . 1 1 51 51 GLY HA2 H 1 4.60 0.02 . 2 . . . . . . . . 5352 1 535 . 1 1 51 51 GLY HA3 H 1 4.33 0.02 . 2 . . . . . . . . 5352 1 536 . 1 1 51 51 GLY C C 13 169.17 0.1 . . . . . . . . . . 5352 1 537 . 1 1 51 51 GLY CA C 13 47.13 0.1 . . . . . . . . . . 5352 1 538 . 1 1 51 51 GLY N N 15 114.25 0.1 . . . . . . . . . . 5352 1 539 . 1 1 52 52 LYS H H 1 9.36 0.02 . . . . . . . . . . 5352 1 540 . 1 1 52 52 LYS HA H 1 4.99 0.02 . . . . . . . . . . 5352 1 541 . 1 1 52 52 LYS HB2 H 1 1.45 0.02 . 2 . . . . . . . . 5352 1 542 . 1 1 52 52 LYS HB3 H 1 1.34 0.02 . 2 . . . . . . . . 5352 1 543 . 1 1 52 52 LYS HG2 H 1 0.42 0.02 . 2 . . . . . . . . 5352 1 544 . 1 1 52 52 LYS HG3 H 1 0.29 0.02 . 2 . . . . . . . . 5352 1 545 . 1 1 52 52 LYS HD2 H 1 1.68 0.02 . 1 . . . . . . . . 5352 1 546 . 1 1 52 52 LYS HD3 H 1 1.68 0.02 . 1 . . . . . . . . 5352 1 547 . 1 1 52 52 LYS HE2 H 1 2.76 0.02 . . . . . . . . . . 5352 1 548 . 1 1 52 52 LYS HE3 H 1 2.52 0.02 . . . . . . . . . . 5352 1 549 . 1 1 52 52 LYS C C 13 173.72 0.1 . . . . . . . . . . 5352 1 550 . 1 1 52 52 LYS CA C 13 54.12 0.1 . . . . . . . . . . 5352 1 551 . 1 1 52 52 LYS CB C 13 36.76 0.1 . . . . . . . . . . 5352 1 552 . 1 1 52 52 LYS CG C 13 24.82 0.1 . . . . . . . . . . 5352 1 553 . 1 1 52 52 LYS CD C 13 28.39 0.1 . . . . . . . . . . 5352 1 554 . 1 1 52 52 LYS CE C 13 42.42 0.1 . . . . . . . . . . 5352 1 555 . 1 1 52 52 LYS N N 15 128.31 0.1 . . . . . . . . . . 5352 1 556 . 1 1 53 53 LYS H H 1 9.09 0.02 . . . . . . . . . . 5352 1 557 . 1 1 53 53 LYS HA H 1 4.73 0.02 . . . . . . . . . . 5352 1 558 . 1 1 53 53 LYS HB2 H 1 1.54 0.02 . 2 . . . . . . . . 5352 1 559 . 1 1 53 53 LYS HB3 H 1 1.38 0.02 . 2 . . . . . . . . 5352 1 560 . 1 1 53 53 LYS HG2 H 1 1.06 0.02 . 1 . . . . . . . . 5352 1 561 . 1 1 53 53 LYS HG3 H 1 1.06 0.02 . 1 . . . . . . . . 5352 1 562 . 1 1 53 53 LYS HE2 H 1 2.84 0.02 . . . . . . . . . . 5352 1 563 . 1 1 53 53 LYS HE3 H 1 2.84 0.02 . . . . . . . . . . 5352 1 564 . 1 1 53 53 LYS C C 13 176.05 0.1 . . . . . . . . . . 5352 1 565 . 1 1 53 53 LYS CA C 13 54.37 0.1 . . . . . . . . . . 5352 1 566 . 1 1 53 53 LYS CB C 13 34.63 0.1 . . . . . . . . . . 5352 1 567 . 1 1 53 53 LYS CG C 13 25.79 0.1 . . . . . . . . . . 5352 1 568 . 1 1 53 53 LYS CD C 13 29.04 0.1 . . . . . . . . . . 5352 1 569 . 1 1 53 53 LYS CE C 13 43.21 0.1 . . . . . . . . . . 5352 1 570 . 1 1 53 53 LYS N N 15 125.91 0.1 . . . . . . . . . . 5352 1 571 . 1 1 54 54 PHE H H 1 8.27 0.02 . . . . . . . . . . 5352 1 572 . 1 1 54 54 PHE HA H 1 4.82 0.02 . . . . . . . . . . 5352 1 573 . 1 1 54 54 PHE HB2 H 1 3.43 0.02 . 2 . . . . . . . . 5352 1 574 . 1 1 54 54 PHE HB3 H 1 2.42 0.02 . 2 . . . . . . . . 5352 1 575 . 1 1 54 54 PHE C C 13 175.97 0.1 . . . . . . . . . . 5352 1 576 . 1 1 54 54 PHE CA C 13 56.36 0.1 . . . . . . . . . . 5352 1 577 . 1 1 54 54 PHE CB C 13 42.25 0.1 . . . . . . . . . . 5352 1 578 . 1 1 54 54 PHE N N 15 119.50 0.1 . . . . . . . . . . 5352 1 579 . 1 1 55 55 ASN H H 1 8.15 0.02 . . . . . . . . . . 5352 1 580 . 1 1 55 55 ASN HA H 1 4.81 0.02 . . . . . . . . . . 5352 1 581 . 1 1 55 55 ASN HB2 H 1 3.32 0.02 . 2 . . . . . . . . 5352 1 582 . 1 1 55 55 ASN HB3 H 1 2.80 0.02 . 2 . . . . . . . . 5352 1 583 . 1 1 55 55 ASN C C 13 175 0.1 . . . . . . . . . . 5352 1 584 . 1 1 55 55 ASN CA C 13 52.85 0.1 . . . . . . . . . . 5352 1 585 . 1 1 55 55 ASN CB C 13 37.92 0.1 . . . . . . . . . . 5352 1 586 . 1 1 55 55 ASN CG C 13 178.49 0.1 . . . . . . . . . . 5352 1 587 . 1 1 55 55 ASN N N 15 117.62 0.1 . . . . . . . . . . 5352 1 588 . 1 1 56 56 GLU H H 1 7.41 0.02 . . . . . . . . . . 5352 1 589 . 1 1 56 56 GLU HA H 1 3.52 0.02 . . . . . . . . . . 5352 1 590 . 1 1 56 56 GLU HB2 H 1 2.41 0.02 . 2 . . . . . . . . 5352 1 591 . 1 1 56 56 GLU HB3 H 1 2.16 0.02 . 2 . . . . . . . . 5352 1 592 . 1 1 56 56 GLU HG2 H 1 2.30 0.02 . 2 . . . . . . . . 5352 1 593 . 1 1 56 56 GLU HG3 H 1 2.05 0.02 . 2 . . . . . . . . 5352 1 594 . 1 1 56 56 GLU C C 13 174.84 0.1 . . . . . . . . . . 5352 1 595 . 1 1 56 56 GLU CA C 13 57.88 0.1 . . . . . . . . . . 5352 1 596 . 1 1 56 56 GLU CB C 13 26.60 0.1 . . . . . . . . . . 5352 1 597 . 1 1 56 56 GLU CG C 13 36.86 0.1 . . . . . . . . . . 5352 1 598 . 1 1 56 56 GLU CD C 13 182.66 0.1 . . . . . . . . . . 5352 1 599 . 1 1 56 56 GLU N N 15 109.30 0.1 . . . . . . . . . . 5352 1 600 . 1 1 57 57 THR H H 1 8.27 0.02 . . . . . . . . . . 5352 1 601 . 1 1 57 57 THR HA H 1 6.67 0.02 . . . . . . . . . . 5352 1 602 . 1 1 57 57 THR HB H 1 4.25 0.02 . . . . . . . . . . 5352 1 603 . 1 1 57 57 THR HG21 H 1 1.13 0.02 . . . . . . . . . . 5352 1 604 . 1 1 57 57 THR HG22 H 1 1.13 0.02 . . . . . . . . . . 5352 1 605 . 1 1 57 57 THR HG23 H 1 1.13 0.02 . . . . . . . . . . 5352 1 606 . 1 1 57 57 THR C C 13 175.78 0.1 . . . . . . . . . . 5352 1 607 . 1 1 57 57 THR CA C 13 62.25 0.1 . . . . . . . . . . 5352 1 608 . 1 1 57 57 THR CB C 13 72.15 0.1 . . . . . . . . . . 5352 1 609 . 1 1 57 57 THR CG2 C 13 20.76 0.1 . . . . . . . . . . 5352 1 610 . 1 1 57 57 THR N N 15 105.46 0.1 . . . . . . . . . . 5352 1 611 . 1 1 58 58 GLN H H 1 9.29 0.02 . . . . . . . . . . 5352 1 612 . 1 1 58 58 GLN HA H 1 5.06 0.02 . . . . . . . . . . 5352 1 613 . 1 1 58 58 GLN HB2 H 1 2.08 0.02 . 2 . . . . . . . . 5352 1 614 . 1 1 58 58 GLN HB3 H 1 1.90 0.02 . 2 . . . . . . . . 5352 1 615 . 1 1 58 58 GLN HG2 H 1 2.50 0.02 . 2 . . . . . . . . 5352 1 616 . 1 1 58 58 GLN HG3 H 1 2.08 0.02 . 2 . . . . . . . . 5352 1 617 . 1 1 58 58 GLN C C 13 176 0.1 . . . . . . . . . . 5352 1 618 . 1 1 58 58 GLN CA C 13 54.87 0.1 . . . . . . . . . . 5352 1 619 . 1 1 58 58 GLN CB C 13 34.75 0.1 . . . . . . . . . . 5352 1 620 . 1 1 58 58 GLN CG C 13 34.60 0.1 . . . . . . . . . . 5352 1 621 . 1 1 58 58 GLN CD C 13 180.48 0.1 . . . . . . . . . . 5352 1 622 . 1 1 58 58 GLN N N 15 123.85 0.1 . . . . . . . . . . 5352 1 623 . 1 1 59 59 THR H H 1 8.74 0.02 . . . . . . . . . . 5352 1 624 . 1 1 59 59 THR HA H 1 4.61 0.02 . . . . . . . . . . 5352 1 625 . 1 1 59 59 THR HB H 1 4.46 0.02 . . . . . . . . . . 5352 1 626 . 1 1 59 59 THR HG21 H 1 1.19 0.02 . . . . . . . . . . 5352 1 627 . 1 1 59 59 THR HG22 H 1 1.19 0.02 . . . . . . . . . . 5352 1 628 . 1 1 59 59 THR HG23 H 1 1.19 0.02 . . . . . . . . . . 5352 1 629 . 1 1 59 59 THR C C 13 176.40 0.1 . . . . . . . . . . 5352 1 630 . 1 1 59 59 THR CA C 13 60.91 0.1 . . . . . . . . . . 5352 1 631 . 1 1 59 59 THR CB C 13 70.59 0.1 . . . . . . . . . . 5352 1 632 . 1 1 59 59 THR CG2 C 13 22.12 0.1 . . . . . . . . . . 5352 1 633 . 1 1 59 59 THR N N 15 113.93 0.1 . . . . . . . . . . 5352 1 634 . 1 1 60 60 HIS H H 1 10.63 0.02 . . . . . . . . . . 5352 1 635 . 1 1 60 60 HIS HA H 1 3.94 0.02 . . . . . . . . . . 5352 1 636 . 1 1 60 60 HIS HB2 H 1 3.26 0.02 . 2 . . . . . . . . 5352 1 637 . 1 1 60 60 HIS HB3 H 1 3.16 0.02 . 2 . . . . . . . . 5352 1 638 . 1 1 60 60 HIS HD2 H 1 7.23 0.02 . . . . . . . . . . 5352 1 639 . 1 1 60 60 HIS HE1 H 1 7.47 0.02 . . . . . . . . . . 5352 1 640 . 1 1 60 60 HIS C C 13 178.04 0.1 . . . . . . . . . . 5352 1 641 . 1 1 60 60 HIS CA C 13 60.68 0.1 . . . . . . . . . . 5352 1 642 . 1 1 60 60 HIS CB C 13 30.42 0.1 . . . . . . . . . . 5352 1 643 . 1 1 60 60 HIS CG C 13 135.36 0.1 . . . . . . . . . . 5352 1 644 . 1 1 60 60 HIS CD2 C 13 120.29 0.1 . . . . . . . . . . 5352 1 645 . 1 1 60 60 HIS CE1 C 13 136.42 0.1 . . . . . . . . . . 5352 1 646 . 1 1 60 60 HIS N N 15 122.06 0.1 . . . . . . . . . . 5352 1 647 . 1 1 60 60 HIS ND1 N 15 248.53 0.1 . . . . . . . . . . 5352 1 648 . 1 1 60 60 HIS NE2 N 15 167.85 0.1 . . . . . . . . . . 5352 1 649 . 1 1 61 61 GLN H H 1 7.97 0.02 . . . . . . . . . . 5352 1 650 . 1 1 61 61 GLN HA H 1 3.65 0.02 . . . . . . . . . . 5352 1 651 . 1 1 61 61 GLN HB2 H 1 1.72 0.02 . 1 . . . . . . . . 5352 1 652 . 1 1 61 61 GLN HB3 H 1 1.72 0.02 . 1 . . . . . . . . 5352 1 653 . 1 1 61 61 GLN HG2 H 1 2.44 0.02 . 2 . . . . . . . . 5352 1 654 . 1 1 61 61 GLN HG3 H 1 2.01 0.02 . 2 . . . . . . . . 5352 1 655 . 1 1 61 61 GLN C C 13 178.88 0.1 . . . . . . . . . . 5352 1 656 . 1 1 61 61 GLN CA C 13 59.81 0.1 . . . . . . . . . . 5352 1 657 . 1 1 61 61 GLN CB C 13 27.40 0.1 . . . . . . . . . . 5352 1 658 . 1 1 61 61 GLN CG C 13 34.20 0.1 . . . . . . . . . . 5352 1 659 . 1 1 61 61 GLN CD C 13 180.10 0.1 . . . . . . . . . . 5352 1 660 . 1 1 61 61 GLN N N 15 120.29 0.1 . . . . . . . . . . 5352 1 661 . 1 1 62 62 GLN H H 1 7.29 0.02 . . . . . . . . . . 5352 1 662 . 1 1 62 62 GLN HA H 1 3.90 0.02 . . . . . . . . . . 5352 1 663 . 1 1 62 62 GLN HB2 H 1 2.35 0.02 . 2 . . . . . . . . 5352 1 664 . 1 1 62 62 GLN HB3 H 1 1.96 0.02 . 2 . . . . . . . . 5352 1 665 . 1 1 62 62 GLN HG2 H 1 2.36 0.02 . 1 . . . . . . . . 5352 1 666 . 1 1 62 62 GLN HG3 H 1 2.36 0.02 . 1 . . . . . . . . 5352 1 667 . 1 1 62 62 GLN C C 13 178.09 0.1 . . . . . . . . . . 5352 1 668 . 1 1 62 62 GLN CA C 13 57.82 0.1 . . . . . . . . . . 5352 1 669 . 1 1 62 62 GLN CB C 13 28.98 0.1 . . . . . . . . . . 5352 1 670 . 1 1 62 62 GLN CG C 13 34.89 0.1 . . . . . . . . . . 5352 1 671 . 1 1 62 62 GLN CD C 13 180.49 0.1 . . . . . . . . . . 5352 1 672 . 1 1 62 62 GLN N N 15 118.59 0.1 . . . . . . . . . . 5352 1 673 . 1 1 63 63 VAL H H 1 7.79 0.02 . . . . . . . . . . 5352 1 674 . 1 1 63 63 VAL HA H 1 3.43 0.02 . . . . . . . . . . 5352 1 675 . 1 1 63 63 VAL HB H 1 2.11 0.02 . . . . . . . . . . 5352 1 676 . 1 1 63 63 VAL HG11 H 1 0.92 0.02 . 2 . . . . . . . . 5352 1 677 . 1 1 63 63 VAL HG12 H 1 0.92 0.02 . 2 . . . . . . . . 5352 1 678 . 1 1 63 63 VAL HG13 H 1 0.92 0.02 . 2 . . . . . . . . 5352 1 679 . 1 1 63 63 VAL HG21 H 1 0.51 0.02 . 2 . . . . . . . . 5352 1 680 . 1 1 63 63 VAL HG22 H 1 0.51 0.02 . 2 . . . . . . . . 5352 1 681 . 1 1 63 63 VAL HG23 H 1 0.51 0.02 . 2 . . . . . . . . 5352 1 682 . 1 1 63 63 VAL C C 13 176.36 0.1 . . . . . . . . . . 5352 1 683 . 1 1 63 63 VAL CA C 13 66.72 0.1 . . . . . . . . . . 5352 1 684 . 1 1 63 63 VAL CB C 13 32.24 0.1 . . . . . . . . . . 5352 1 685 . 1 1 63 63 VAL CG1 C 13 22.54 0.1 . 1 . . . . . . . . 5352 1 686 . 1 1 63 63 VAL CG2 C 13 22.54 0.1 . 1 . . . . . . . . 5352 1 687 . 1 1 63 63 VAL N N 15 120.61 0.1 . . . . . . . . . . 5352 1 688 . 1 1 64 64 GLY H H 1 7.70 0.02 . . . . . . . . . . 5352 1 689 . 1 1 64 64 GLY HA2 H 1 4.69 0.02 . 2 . . . . . . . . 5352 1 690 . 1 1 64 64 GLY HA3 H 1 3.61 0.02 . 2 . . . . . . . . 5352 1 691 . 1 1 64 64 GLY C C 13 172.55 0.1 . . . . . . . . . . 5352 1 692 . 1 1 64 64 GLY CA C 13 43.13 0.1 . . . . . . . . . . 5352 1 693 . 1 1 64 64 GLY N N 15 103.63 0.1 . . . . . . . . . . 5352 1 694 . 1 1 65 65 ASN H H 1 7.86 0.02 . . . . . . . . . . 5352 1 695 . 1 1 65 65 ASN HA H 1 4.62 0.02 . . . . . . . . . . 5352 1 696 . 1 1 65 65 ASN HB2 H 1 2.78 0.02 . 2 . . . . . . . . 5352 1 697 . 1 1 65 65 ASN HB3 H 1 2.71 0.02 . 2 . . . . . . . . 5352 1 698 . 1 1 65 65 ASN C C 13 176.19 0.1 . . . . . . . . . . 5352 1 699 . 1 1 65 65 ASN CA C 13 53.99 0.1 . . . . . . . . . . 5352 1 700 . 1 1 65 65 ASN CB C 13 39.95 0.1 . . . . . . . . . . 5352 1 701 . 1 1 65 65 ASN CG C 13 176.62 0.1 . . . . . . . . . . 5352 1 702 . 1 1 65 65 ASN N N 15 115.12 0.1 . . . . . . . . . . 5352 1 703 . 1 1 66 66 MET H H 1 9.53 0.02 . . . . . . . . . . 5352 1 704 . 1 1 66 66 MET HA H 1 5.32 0.02 . . . . . . . . . . 5352 1 705 . 1 1 66 66 MET HB2 H 1 1.93 0.02 . 2 . . . . . . . . 5352 1 706 . 1 1 66 66 MET HB3 H 1 1.55 0.02 . 2 . . . . . . . . 5352 1 707 . 1 1 66 66 MET HG2 H 1 2.56 0.02 . 1 . . . . . . . . 5352 1 708 . 1 1 66 66 MET HG3 H 1 2.56 0.02 . 1 . . . . . . . . 5352 1 709 . 1 1 66 66 MET C C 13 175.40 0.1 . . . . . . . . . . 5352 1 710 . 1 1 66 66 MET CA C 13 54.96 0.1 . . . . . . . . . . 5352 1 711 . 1 1 66 66 MET CB C 13 37.96 0.1 . . . . . . . . . . 5352 1 712 . 1 1 66 66 MET CG C 13 33.52 0.1 . . . . . . . . . . 5352 1 713 . 1 1 66 66 MET N N 15 127.20 0.1 . . . . . . . . . . 5352 1 714 . 1 1 67 67 SER H H 1 8.70 0.02 . . . . . . . . . . 5352 1 715 . 1 1 67 67 SER HA H 1 5.09 0.02 . . . . . . . . . . 5352 1 716 . 1 1 67 67 SER HB2 H 1 3.71 0.02 . 1 . . . . . . . . 5352 1 717 . 1 1 67 67 SER HB3 H 1 3.71 0.02 . 1 . . . . . . . . 5352 1 718 . 1 1 67 67 SER C C 13 172.48 0.1 . . . . . . . . . . 5352 1 719 . 1 1 67 67 SER CA C 13 57.25 0.1 . . . . . . . . . . 5352 1 720 . 1 1 67 67 SER CB C 13 65.62 0.1 . . . . . . . . . . 5352 1 721 . 1 1 67 67 SER N N 15 116.50 0.1 . . . . . . . . . . 5352 1 722 . 1 1 68 68 ILE H H 1 8.91 0.02 . . . . . . . . . . 5352 1 723 . 1 1 68 68 ILE HA H 1 5.39 0.02 . . . . . . . . . . 5352 1 724 . 1 1 68 68 ILE HB H 1 1.54 0.02 . . . . . . . . . . 5352 1 725 . 1 1 68 68 ILE HG12 H 1 1.20 0.02 . 2 . . . . . . . . 5352 1 726 . 1 1 68 68 ILE HG21 H 1 1.02 0.02 . . . . . . . . . . 5352 1 727 . 1 1 68 68 ILE HG22 H 1 1.02 0.02 . . . . . . . . . . 5352 1 728 . 1 1 68 68 ILE HG23 H 1 1.02 0.02 . . . . . . . . . . 5352 1 729 . 1 1 68 68 ILE HD11 H 1 1.02 0.02 . . . . . . . . . . 5352 1 730 . 1 1 68 68 ILE HD12 H 1 1.02 0.02 . . . . . . . . . . 5352 1 731 . 1 1 68 68 ILE HD13 H 1 1.02 0.02 . . . . . . . . . . 5352 1 732 . 1 1 68 68 ILE C C 13 174.42 0.1 . . . . . . . . . . 5352 1 733 . 1 1 68 68 ILE CA C 13 59.97 0.1 . . . . . . . . . . 5352 1 734 . 1 1 68 68 ILE CB C 13 43.36 0.1 . . . . . . . . . . 5352 1 735 . 1 1 68 68 ILE CG1 C 13 30.24 0.1 . . . . . . . . . . 5352 1 736 . 1 1 68 68 ILE CG2 C 13 17.61 0.1 . . . . . . . . . . 5352 1 737 . 1 1 68 68 ILE CD1 C 13 15.20 0.1 . . . . . . . . . . 5352 1 738 . 1 1 68 68 ILE N N 15 125.30 0.1 . . . . . . . . . . 5352 1 739 . 1 1 69 69 ASN H H 1 8.66 0.02 . . . . . . . . . . 5352 1 740 . 1 1 69 69 ASN HA H 1 5.66 0.02 . . . . . . . . . . 5352 1 741 . 1 1 69 69 ASN HB2 H 1 2.74 0.02 . 1 . . . . . . . . 5352 1 742 . 1 1 69 69 ASN HB3 H 1 2.74 0.02 . 1 . . . . . . . . 5352 1 743 . 1 1 69 69 ASN C C 13 173.85 0.1 . . . . . . . . . . 5352 1 744 . 1 1 69 69 ASN CA C 13 52.21 0.1 . . . . . . . . . . 5352 1 745 . 1 1 69 69 ASN CB C 13 41.34 0.1 . . . . . . . . . . 5352 1 746 . 1 1 69 69 ASN CG C 13 176.67 0.1 . . . . . . . . . . 5352 1 747 . 1 1 69 69 ASN N N 15 127.13 0.1 . . . . . . . . . . 5352 1 748 . 1 1 70 70 TYR H H 1 9.47 0.02 . . . . . . . . . . 5352 1 749 . 1 1 70 70 TYR HA H 1 5.24 0.02 . . . . . . . . . . 5352 1 750 . 1 1 70 70 TYR HB2 H 1 2.98 0.02 . 2 . . . . . . . . 5352 1 751 . 1 1 70 70 TYR HB3 H 1 2.72 0.02 . 2 . . . . . . . . 5352 1 752 . 1 1 70 70 TYR C C 13 173.99 0.1 . . . . . . . . . . 5352 1 753 . 1 1 70 70 TYR CA C 13 55.77 0.1 . . . . . . . . . . 5352 1 754 . 1 1 70 70 TYR CB C 13 43.86 0.1 . . . . . . . . . . 5352 1 755 . 1 1 70 70 TYR N N 15 123.96 0.1 . . . . . . . . . . 5352 1 756 . 1 1 71 71 GLY H H 1 8.47 0.02 . . . . . . . . . . 5352 1 757 . 1 1 71 71 GLY HA2 H 1 3.96 0.02 . 2 . . . . . . . . 5352 1 758 . 1 1 71 71 GLY HA3 H 1 3.27 0.02 . 2 . . . . . . . . 5352 1 759 . 1 1 71 71 GLY C C 13 170.54 0.1 . . . . . . . . . . 5352 1 760 . 1 1 71 71 GLY CA C 13 45.64 0.1 . . . . . . . . . . 5352 1 761 . 1 1 71 71 GLY N N 15 110.03 0.1 . . . . . . . . . . 5352 1 762 . 1 1 72 72 ALA H H 1 8.92 0.02 . . . . . . . . . . 5352 1 763 . 1 1 72 72 ALA HA H 1 5.25 0.02 . . . . . . . . . . 5352 1 764 . 1 1 72 72 ALA HB1 H 1 1.26 0.02 . . . . . . . . . . 5352 1 765 . 1 1 72 72 ALA HB2 H 1 1.26 0.02 . . . . . . . . . . 5352 1 766 . 1 1 72 72 ALA HB3 H 1 1.26 0.02 . . . . . . . . . . 5352 1 767 . 1 1 72 72 ALA C C 13 176.42 0.1 . . . . . . . . . . 5352 1 768 . 1 1 72 72 ALA CA C 13 50.57 0.1 . . . . . . . . . . 5352 1 769 . 1 1 72 72 ALA CB C 13 23.49 0.1 . . . . . . . . . . 5352 1 770 . 1 1 72 72 ALA N N 15 123.21 0.1 . . . . . . . . . . 5352 1 771 . 1 1 73 73 ASN H H 1 9.12 0.02 . . . . . . . . . . 5352 1 772 . 1 1 73 73 ASN HA H 1 5.34 0.02 . . . . . . . . . . 5352 1 773 . 1 1 73 73 ASN HB2 H 1 3.11 0.02 . 2 . . . . . . . . 5352 1 774 . 1 1 73 73 ASN HB3 H 1 2.95 0.02 . 2 . . . . . . . . 5352 1 775 . 1 1 73 73 ASN C C 13 174.90 0.1 . . . . . . . . . . 5352 1 776 . 1 1 73 73 ASN CA C 13 52.68 0.1 . . . . . . . . . . 5352 1 777 . 1 1 73 73 ASN CB C 13 39.58 0.1 . . . . . . . . . . 5352 1 778 . 1 1 73 73 ASN CG C 13 176.23 0.1 . . . . . . . . . . 5352 1 779 . 1 1 73 73 ASN N N 15 119.90 0.1 . . . . . . . . . . 5352 1 780 . 1 1 74 74 PHE H H 1 9.52 0.02 . . . . . . . . . . 5352 1 781 . 1 1 74 74 PHE HA H 1 5.08 0.02 . . . . . . . . . . 5352 1 782 . 1 1 74 74 PHE HB2 H 1 3.29 0.02 . 2 . . . . . . . . 5352 1 783 . 1 1 74 74 PHE HB3 H 1 2.88 0.02 . 2 . . . . . . . . 5352 1 784 . 1 1 74 74 PHE C C 13 172.08 0.1 . . . . . . . . . . 5352 1 785 . 1 1 74 74 PHE CA C 13 56.88 0.1 . . . . . . . . . . 5352 1 786 . 1 1 74 74 PHE CB C 13 42.29 0.1 . . . . . . . . . . 5352 1 787 . 1 1 74 74 PHE N N 15 129.18 0.1 . . . . . . . . . . 5352 1 788 . 1 1 75 75 GLN H H 1 8.63 0.02 . . . . . . . . . . 5352 1 789 . 1 1 75 75 GLN C C 13 172.69 0.1 . . . . . . . . . . 5352 1 790 . 1 1 75 75 GLN CA C 13 53.09 0.1 . . . . . . . . . . 5352 1 791 . 1 1 75 75 GLN CB C 13 29.41 0.1 . . . . . . . . . . 5352 1 792 . 1 1 75 75 GLN N N 15 125.12 0.1 . . . . . . . . . . 5352 1 793 . 1 1 76 76 PRO HA H 1 4.37 0.02 . . . . . . . . . . 5352 1 794 . 1 1 76 76 PRO HB2 H 1 2.15 0.02 . 2 . . . . . . . . 5352 1 795 . 1 1 76 76 PRO HB3 H 1 1.66 0.02 . 2 . . . . . . . . 5352 1 796 . 1 1 76 76 PRO HG3 H 1 1.37 0.02 . 2 . . . . . . . . 5352 1 797 . 1 1 76 76 PRO HD2 H 1 3.34 0.02 . 1 . . . . . . . . 5352 1 798 . 1 1 76 76 PRO HD3 H 1 3.34 0.02 . 1 . . . . . . . . 5352 1 799 . 1 1 76 76 PRO C C 13 175.47 0.1 . . . . . . . . . . 5352 1 800 . 1 1 76 76 PRO CA C 13 63.20 0.1 . . . . . . . . . . 5352 1 801 . 1 1 76 76 PRO CB C 13 33.40 0.1 . . . . . . . . . . 5352 1 802 . 1 1 76 76 PRO CG C 13 26.87 0.1 . . . . . . . . . . 5352 1 803 . 1 1 76 76 PRO CD C 13 49 0.1 . . . . . . . . . . 5352 1 804 . 1 1 77 77 ASN H H 1 8.89 0.02 . . . . . . . . . . 5352 1 805 . 1 1 77 77 ASN HA H 1 5 0.02 . . . . . . . . . . 5352 1 806 . 1 1 77 77 ASN HB2 H 1 2.79 0.02 . 2 . . . . . . . . 5352 1 807 . 1 1 77 77 ASN HB3 H 1 2.53 0.02 . 2 . . . . . . . . 5352 1 808 . 1 1 77 77 ASN C C 13 174.22 0.1 . . . . . . . . . . 5352 1 809 . 1 1 77 77 ASN CA C 13 52.43 0.1 . . . . . . . . . . 5352 1 810 . 1 1 77 77 ASN CB C 13 38.20 0.1 . . . . . . . . . . 5352 1 811 . 1 1 77 77 ASN CG C 13 177.47 0.1 . . . . . . . . . . 5352 1 812 . 1 1 77 77 ASN N N 15 121.48 0.1 . . . . . . . . . . 5352 1 813 . 1 1 78 78 GLY H H 1 8.22 0.02 . . . . . . . . . . 5352 1 814 . 1 1 78 78 GLY HA2 H 1 4.56 0.02 . 2 . . . . . . . . 5352 1 815 . 1 1 78 78 GLY HA3 H 1 3.87 0.02 . 2 . . . . . . . . 5352 1 816 . 1 1 78 78 GLY C C 13 173.39 0.1 . . . . . . . . . . 5352 1 817 . 1 1 78 78 GLY CA C 13 44.52 0.1 . . . . . . . . . . 5352 1 818 . 1 1 78 78 GLY N N 15 110.30 0.1 . . . . . . . . . . 5352 1 819 . 1 1 79 79 ASN H H 1 8.91 0.02 . . . . . . . . . . 5352 1 820 . 1 1 79 79 ASN HA H 1 5.15 0.02 . . . . . . . . . . 5352 1 821 . 1 1 79 79 ASN HB2 H 1 3.85 0.02 . 2 . . . . . . . . 5352 1 822 . 1 1 79 79 ASN HB3 H 1 3.25 0.02 . 2 . . . . . . . . 5352 1 823 . 1 1 79 79 ASN C C 13 175.50 0.1 . . . . . . . . . . 5352 1 824 . 1 1 79 79 ASN CA C 13 54.61 0.1 . . . . . . . . . . 5352 1 825 . 1 1 79 79 ASN CB C 13 38.63 0.1 . . . . . . . . . . 5352 1 826 . 1 1 79 79 ASN CG C 13 176.95 0.1 . . . . . . . . . . 5352 1 827 . 1 1 79 79 ASN N N 15 123.56 0.1 . . . . . . . . . . 5352 1 828 . 1 1 80 80 ALA H H 1 8.27 0.02 . . . . . . . . . . 5352 1 829 . 1 1 80 80 ALA HA H 1 5.07 0.02 . . . . . . . . . . 5352 1 830 . 1 1 80 80 ALA HB1 H 1 1.71 0.02 . . . . . . . . . . 5352 1 831 . 1 1 80 80 ALA HB2 H 1 1.71 0.02 . . . . . . . . . . 5352 1 832 . 1 1 80 80 ALA HB3 H 1 1.71 0.02 . . . . . . . . . . 5352 1 833 . 1 1 80 80 ALA C C 13 175.28 0.1 . . . . . . . . . . 5352 1 834 . 1 1 80 80 ALA CA C 13 52.19 0.1 . . . . . . . . . . 5352 1 835 . 1 1 80 80 ALA CB C 13 23.83 0.1 . . . . . . . . . . 5352 1 836 . 1 1 80 80 ALA N N 15 128.55 0.1 . . . . . . . . . . 5352 1 837 . 1 1 81 81 TYR H H 1 9.36 0.02 . . . . . . . . . . 5352 1 838 . 1 1 81 81 TYR HA H 1 5.95 0.02 . . . . . . . . . . 5352 1 839 . 1 1 81 81 TYR HB2 H 1 3.66 0.02 . 2 . . . . . . . . 5352 1 840 . 1 1 81 81 TYR HB3 H 1 3.19 0.02 . 2 . . . . . . . . 5352 1 841 . 1 1 81 81 TYR C C 13 174.06 0.1 . . . . . . . . . . 5352 1 842 . 1 1 81 81 TYR CA C 13 53.84 0.1 . . . . . . . . . . 5352 1 843 . 1 1 81 81 TYR CB C 13 42.79 0.1 . . . . . . . . . . 5352 1 844 . 1 1 81 81 TYR N N 15 115.21 0.1 . . . . . . . . . . 5352 1 845 . 1 1 82 82 LEU H H 1 8.14 0.02 . . . . . . . . . . 5352 1 846 . 1 1 82 82 LEU HA H 1 4.96 0.02 . . . . . . . . . . 5352 1 847 . 1 1 82 82 LEU HB2 H 1 1.29 0.02 . 2 . . . . . . . . 5352 1 848 . 1 1 82 82 LEU HB3 H 1 -0.42 0.02 . 2 . . . . . . . . 5352 1 849 . 1 1 82 82 LEU HD11 H 1 0.83 0.02 . 2 . . . . . . . . 5352 1 850 . 1 1 82 82 LEU HD12 H 1 0.83 0.02 . 2 . . . . . . . . 5352 1 851 . 1 1 82 82 LEU HD13 H 1 0.83 0.02 . 2 . . . . . . . . 5352 1 852 . 1 1 82 82 LEU HD21 H 1 0.57 0.02 . 2 . . . . . . . . 5352 1 853 . 1 1 82 82 LEU HD22 H 1 0.57 0.02 . 2 . . . . . . . . 5352 1 854 . 1 1 82 82 LEU HD23 H 1 0.57 0.02 . 2 . . . . . . . . 5352 1 855 . 1 1 82 82 LEU C C 13 175.66 0.1 . . . . . . . . . . 5352 1 856 . 1 1 82 82 LEU CA C 13 54.01 0.1 . . . . . . . . . . 5352 1 857 . 1 1 82 82 LEU CB C 13 42.74 0.1 . . . . . . . . . . 5352 1 858 . 1 1 82 82 LEU CG C 13 27.40 0.1 . . . . . . . . . . 5352 1 859 . 1 1 82 82 LEU CD1 C 13 27.40 0.1 . . . . . . . . . . 5352 1 860 . 1 1 82 82 LEU CD2 C 13 22.78 0.1 . . . . . . . . . . 5352 1 861 . 1 1 82 82 LEU N N 15 124.35 0.1 . . . . . . . . . . 5352 1 862 . 1 1 83 83 CYS H H 1 9.44 0.02 . . . . . . . . . . 5352 1 863 . 1 1 83 83 CYS HA H 1 6 0.02 . . . . . . . . . . 5352 1 864 . 1 1 83 83 CYS HB2 H 1 3.25 0.02 . 2 . . . . . . . . 5352 1 865 . 1 1 83 83 CYS HB3 H 1 3.08 0.02 . 2 . . . . . . . . 5352 1 866 . 1 1 83 83 CYS C C 13 172.31 0.1 . . . . . . . . . . 5352 1 867 . 1 1 83 83 CYS CA C 13 54.46 0.1 . . . . . . . . . . 5352 1 868 . 1 1 83 83 CYS CB C 13 33.86 0.1 . . . . . . . . . . 5352 1 869 . 1 1 83 83 CYS N N 15 121.01 0.1 . . . . . . . . . . 5352 1 870 . 1 1 84 84 VAL H H 1 9.32 0.02 . . . . . . . . . . 5352 1 871 . 1 1 84 84 VAL HA H 1 4.76 0.02 . . . . . . . . . . 5352 1 872 . 1 1 84 84 VAL HB H 1 1.96 0.02 . . . . . . . . . . 5352 1 873 . 1 1 84 84 VAL HG11 H 1 0.92 0.02 . 2 . . . . . . . . 5352 1 874 . 1 1 84 84 VAL HG12 H 1 0.92 0.02 . 2 . . . . . . . . 5352 1 875 . 1 1 84 84 VAL HG13 H 1 0.92 0.02 . 2 . . . . . . . . 5352 1 876 . 1 1 84 84 VAL HG21 H 1 0.51 0.02 . 2 . . . . . . . . 5352 1 877 . 1 1 84 84 VAL HG22 H 1 0.51 0.02 . 2 . . . . . . . . 5352 1 878 . 1 1 84 84 VAL HG23 H 1 0.51 0.02 . 2 . . . . . . . . 5352 1 879 . 1 1 84 84 VAL C C 13 173.27 0.1 . . . . . . . . . . 5352 1 880 . 1 1 84 84 VAL CA C 13 62.44 0.1 . . . . . . . . . . 5352 1 881 . 1 1 84 84 VAL CB C 13 32.52 0.1 . . . . . . . . . . 5352 1 882 . 1 1 84 84 VAL CG1 C 13 25.11 0.1 . 2 . . . . . . . . 5352 1 883 . 1 1 84 84 VAL CG2 C 13 22.76 0.1 . 2 . . . . . . . . 5352 1 884 . 1 1 84 84 VAL N N 15 119.86 0.1 . . . . . . . . . . 5352 1 885 . 1 1 85 85 TYR H H 1 8.93 0.02 . . . . . . . . . . 5352 1 886 . 1 1 85 85 TYR HA H 1 5.22 0.02 . . . . . . . . . . 5352 1 887 . 1 1 85 85 TYR HB2 H 1 2.85 0.02 . 2 . . . . . . . . 5352 1 888 . 1 1 85 85 TYR HB3 H 1 2.71 0.02 . 2 . . . . . . . . 5352 1 889 . 1 1 85 85 TYR C C 13 173.22 0.1 . . . . . . . . . . 5352 1 890 . 1 1 85 85 TYR CA C 13 54.81 0.1 . . . . . . . . . . 5352 1 891 . 1 1 85 85 TYR CB C 13 43.86 0.1 . . . . . . . . . . 5352 1 892 . 1 1 85 85 TYR N N 15 130.41 0.1 . . . . . . . . . . 5352 1 893 . 1 1 86 86 GLY H H 1 5.66 0.02 . . . . . . . . . . 5352 1 894 . 1 1 86 86 GLY HA2 H 1 3.79 0.02 . 2 . . . . . . . . 5352 1 895 . 1 1 86 86 GLY HA3 H 1 2.93 0.02 . 2 . . . . . . . . 5352 1 896 . 1 1 86 86 GLY C C 13 169.35 0.1 . . . . . . . . . . 5352 1 897 . 1 1 86 86 GLY CA C 13 44.84 0.1 . . . . . . . . . . 5352 1 898 . 1 1 86 86 GLY N N 15 109.31 0.1 . . . . . . . . . . 5352 1 899 . 1 1 87 87 TRP H H 1 6.80 0.02 . . . . . . . . . . 5352 1 900 . 1 1 87 87 TRP HA H 1 6.12 0.02 . . . . . . . . . . 5352 1 901 . 1 1 87 87 TRP HB2 H 1 3.16 0.02 . 2 . . . . . . . . 5352 1 902 . 1 1 87 87 TRP HB3 H 1 2.66 0.02 . 2 . . . . . . . . 5352 1 903 . 1 1 87 87 TRP HD1 H 1 6.76 0.02 . . . . . . . . . . 5352 1 904 . 1 1 87 87 TRP HE1 H 1 9.24 0.02 . . . . . . . . . . 5352 1 905 . 1 1 87 87 TRP C C 13 178.36 0.1 . . . . . . . . . . 5352 1 906 . 1 1 87 87 TRP CA C 13 54.91 0.1 . . . . . . . . . . 5352 1 907 . 1 1 87 87 TRP CB C 13 35.72 0.1 . . . . . . . . . . 5352 1 908 . 1 1 87 87 TRP CG C 13 111.99 0.1 . . . . . . . . . . 5352 1 909 . 1 1 87 87 TRP CD1 C 13 125.40 0.1 . . . . . . . . . . 5352 1 910 . 1 1 87 87 TRP CE2 C 13 138.38 0.1 . . . . . . . . . . 5352 1 911 . 1 1 87 87 TRP N N 15 111.49 0.1 . . . . . . . . . . 5352 1 912 . 1 1 87 87 TRP NE1 N 15 129.83 0.1 . . . . . . . . . . 5352 1 913 . 1 1 88 88 THR H H 1 9.68 0.02 . . . . . . . . . . 5352 1 914 . 1 1 88 88 THR HA H 1 5.32 0.02 . . . . . . . . . . 5352 1 915 . 1 1 88 88 THR HB H 1 3.97 0.02 . . . . . . . . . . 5352 1 916 . 1 1 88 88 THR HG21 H 1 1.09 0.02 . . . . . . . . . . 5352 1 917 . 1 1 88 88 THR HG22 H 1 1.09 0.02 . . . . . . . . . . 5352 1 918 . 1 1 88 88 THR HG23 H 1 1.09 0.02 . . . . . . . . . . 5352 1 919 . 1 1 88 88 THR C C 13 172.36 0.1 . . . . . . . . . . 5352 1 920 . 1 1 88 88 THR CA C 13 60.62 0.1 . . . . . . . . . . 5352 1 921 . 1 1 88 88 THR CB C 13 71.59 0.1 . . . . . . . . . . 5352 1 922 . 1 1 88 88 THR CG2 C 13 21.42 0.1 . . . . . . . . . . 5352 1 923 . 1 1 88 88 THR N N 15 112.64 0.1 . . . . . . . . . . 5352 1 924 . 1 1 89 89 VAL H H 1 8.92 0.02 . . . . . . . . . . 5352 1 925 . 1 1 89 89 VAL HA H 1 4.26 0.02 . . . . . . . . . . 5352 1 926 . 1 1 89 89 VAL HB H 1 1.93 0.02 . . . . . . . . . . 5352 1 927 . 1 1 89 89 VAL HG11 H 1 0.78 0.02 . 1 . . . . . . . . 5352 1 928 . 1 1 89 89 VAL HG12 H 1 0.78 0.02 . 1 . . . . . . . . 5352 1 929 . 1 1 89 89 VAL HG13 H 1 0.78 0.02 . 1 . . . . . . . . 5352 1 930 . 1 1 89 89 VAL HG21 H 1 0.78 0.02 . 1 . . . . . . . . 5352 1 931 . 1 1 89 89 VAL HG22 H 1 0.78 0.02 . 1 . . . . . . . . 5352 1 932 . 1 1 89 89 VAL HG23 H 1 0.78 0.02 . 1 . . . . . . . . 5352 1 933 . 1 1 89 89 VAL C C 13 175.13 0.1 . . . . . . . . . . 5352 1 934 . 1 1 89 89 VAL CA C 13 60.46 0.1 . . . . . . . . . . 5352 1 935 . 1 1 89 89 VAL CB C 13 34.55 0.1 . . . . . . . . . . 5352 1 936 . 1 1 89 89 VAL CG1 C 13 21.73 0.1 . 2 . . . . . . . . 5352 1 937 . 1 1 89 89 VAL CG2 C 13 19.50 0.1 . 2 . . . . . . . . 5352 1 938 . 1 1 89 89 VAL N N 15 112.44 0.1 . . . . . . . . . . 5352 1 939 . 1 1 90 90 ASP H H 1 8.42 0.02 . . . . . . . . . . 5352 1 940 . 1 1 90 90 ASP HA H 1 4.26 0.02 . . . . . . . . . . 5352 1 941 . 1 1 90 90 ASP HB2 H 1 3 0.02 . 2 . . . . . . . . 5352 1 942 . 1 1 90 90 ASP HB3 H 1 2.58 0.02 . 2 . . . . . . . . 5352 1 943 . 1 1 90 90 ASP C C 13 173.55 0.1 . . . . . . . . . . 5352 1 944 . 1 1 90 90 ASP CA C 13 55.10 0.1 . . . . . . . . . . 5352 1 945 . 1 1 90 90 ASP CB C 13 40.13 0.1 . . . . . . . . . . 5352 1 946 . 1 1 90 90 ASP CG C 13 181.52 0.1 . . . . . . . . . . 5352 1 947 . 1 1 90 90 ASP N N 15 118.48 0.1 . . . . . . . . . . 5352 1 948 . 1 1 91 91 PRO HA H 1 4.43 0.02 . . . . . . . . . . 5352 1 949 . 1 1 91 91 PRO HB2 H 1 2.25 0.02 . 2 . . . . . . . . 5352 1 950 . 1 1 91 91 PRO HB3 H 1 1.91 0.02 . 2 . . . . . . . . 5352 1 951 . 1 1 91 91 PRO HG2 H 1 1.70 0.02 . 2 . . . . . . . . 5352 1 952 . 1 1 91 91 PRO HG3 H 1 1.54 0.02 . 2 . . . . . . . . 5352 1 953 . 1 1 91 91 PRO HD2 H 1 3.28 0.02 . 2 . . . . . . . . 5352 1 954 . 1 1 91 91 PRO HD3 H 1 3.12 0.02 . 2 . . . . . . . . 5352 1 955 . 1 1 91 91 PRO C C 13 175.17 0.1 . . . . . . . . . . 5352 1 956 . 1 1 91 91 PRO CA C 13 62.70 0.1 . . . . . . . . . . 5352 1 957 . 1 1 91 91 PRO CB C 13 35.10 0.1 . . . . . . . . . . 5352 1 958 . 1 1 91 91 PRO CG C 13 24.14 0.1 . . . . . . . . . . 5352 1 959 . 1 1 91 91 PRO CD C 13 51.03 0.1 . . . . . . . . . . 5352 1 960 . 1 1 92 92 LEU H H 1 8.10 0.02 . . . . . . . . . . 5352 1 961 . 1 1 92 92 LEU HA H 1 5.06 0.02 . . . . . . . . . . 5352 1 962 . 1 1 92 92 LEU HB2 H 1 2.10 0.02 . 2 . . . . . . . . 5352 1 963 . 1 1 92 92 LEU HB3 H 1 1.48 0.02 . 2 . . . . . . . . 5352 1 964 . 1 1 92 92 LEU HD11 H 1 0.87 0.02 . 2 . . . . . . . . 5352 1 965 . 1 1 92 92 LEU HD12 H 1 0.87 0.02 . 2 . . . . . . . . 5352 1 966 . 1 1 92 92 LEU HD13 H 1 0.87 0.02 . 2 . . . . . . . . 5352 1 967 . 1 1 92 92 LEU HD21 H 1 0.74 0.02 . 2 . . . . . . . . 5352 1 968 . 1 1 92 92 LEU HD22 H 1 0.74 0.02 . 2 . . . . . . . . 5352 1 969 . 1 1 92 92 LEU HD23 H 1 0.74 0.02 . 2 . . . . . . . . 5352 1 970 . 1 1 92 92 LEU C C 13 175 0.1 . . . . . . . . . . 5352 1 971 . 1 1 92 92 LEU CA C 13 54.82 0.1 . . . . . . . . . . 5352 1 972 . 1 1 92 92 LEU CB C 13 42.40 0.1 . . . . . . . . . . 5352 1 973 . 1 1 92 92 LEU CG C 13 27 0.1 . . . . . . . . . . 5352 1 974 . 1 1 92 92 LEU CD1 C 13 26.22 0.1 . . . . . . . . . . 5352 1 975 . 1 1 92 92 LEU CD2 C 13 24.50 0.1 . . . . . . . . . . 5352 1 976 . 1 1 92 92 LEU N N 15 121.63 0.1 . . . . . . . . . . 5352 1 977 . 1 1 93 93 VAL H H 1 8.13 0.02 . . . . . . . . . . 5352 1 978 . 1 1 93 93 VAL HA H 1 4.55 0.02 . . . . . . . . . . 5352 1 979 . 1 1 93 93 VAL HB H 1 2.01 0.02 . . . . . . . . . . 5352 1 980 . 1 1 93 93 VAL HG11 H 1 0.44 0.02 . 2 . . . . . . . . 5352 1 981 . 1 1 93 93 VAL HG12 H 1 0.44 0.02 . 2 . . . . . . . . 5352 1 982 . 1 1 93 93 VAL HG13 H 1 0.44 0.02 . 2 . . . . . . . . 5352 1 983 . 1 1 93 93 VAL HG21 H 1 -0.23 0.02 . 2 . . . . . . . . 5352 1 984 . 1 1 93 93 VAL HG22 H 1 -0.23 0.02 . 2 . . . . . . . . 5352 1 985 . 1 1 93 93 VAL HG23 H 1 -0.23 0.02 . 2 . . . . . . . . 5352 1 986 . 1 1 93 93 VAL C C 13 173.27 0.1 . . . . . . . . . . 5352 1 987 . 1 1 93 93 VAL CA C 13 60.98 0.1 . . . . . . . . . . 5352 1 988 . 1 1 93 93 VAL CB C 13 36.78 0.1 . . . . . . . . . . 5352 1 989 . 1 1 93 93 VAL CG1 C 13 21.35 0.1 . 2 . . . . . . . . 5352 1 990 . 1 1 93 93 VAL CG2 C 13 19.64 0.1 . 2 . . . . . . . . 5352 1 991 . 1 1 93 93 VAL N N 15 130.62 0.1 . . . . . . . . . . 5352 1 992 . 1 1 94 94 GLU H H 1 7.99 0.02 . . . . . . . . . . 5352 1 993 . 1 1 94 94 GLU HA H 1 6.31 0.02 . . . . . . . . . . 5352 1 994 . 1 1 94 94 GLU HB2 H 1 3.41 0.02 . 2 . . . . . . . . 5352 1 995 . 1 1 94 94 GLU HB3 H 1 1.52 0.02 . 2 . . . . . . . . 5352 1 996 . 1 1 94 94 GLU HG2 H 1 1.08 0.02 . 2 . . . . . . . . 5352 1 997 . 1 1 94 94 GLU HG3 H 1 0.22 0.02 . 2 . . . . . . . . 5352 1 998 . 1 1 94 94 GLU C C 13 173.99 0.1 . . . . . . . . . . 5352 1 999 . 1 1 94 94 GLU CA C 13 53.57 0.1 . . . . . . . . . . 5352 1 1000 . 1 1 94 94 GLU CB C 13 32.38 0.1 . . . . . . . . . . 5352 1 1001 . 1 1 94 94 GLU CG C 13 35.97 0.1 . . . . . . . . . . 5352 1 1002 . 1 1 94 94 GLU CD C 13 182.84 0.1 . . . . . . . . . . 5352 1 1003 . 1 1 94 94 GLU N N 15 130.02 0.1 . . . . . . . . . . 5352 1 1004 . 1 1 95 95 TYR H H 1 7.65 0.02 . . . . . . . . . . 5352 1 1005 . 1 1 95 95 TYR HA H 1 5.54 0.02 . . . . . . . . . . 5352 1 1006 . 1 1 95 95 TYR HB2 H 1 3.39 0.02 . 2 . . . . . . . . 5352 1 1007 . 1 1 95 95 TYR HB3 H 1 1.94 0.02 . 2 . . . . . . . . 5352 1 1008 . 1 1 95 95 TYR C C 13 171.03 0.1 . . . . . . . . . . 5352 1 1009 . 1 1 95 95 TYR CA C 13 54.80 0.1 . . . . . . . . . . 5352 1 1010 . 1 1 95 95 TYR CB C 13 42.77 0.1 . . . . . . . . . . 5352 1 1011 . 1 1 95 95 TYR N N 15 123.38 0.1 . . . . . . . . . . 5352 1 1012 . 1 1 96 96 TYR H H 1 8.30 0.02 . . . . . . . . . . 5352 1 1013 . 1 1 96 96 TYR HA H 1 5.25 0.02 . . . . . . . . . . 5352 1 1014 . 1 1 96 96 TYR HB2 H 1 2.47 0.02 . 2 . . . . . . . . 5352 1 1015 . 1 1 96 96 TYR HB3 H 1 2.19 0.02 . 2 . . . . . . . . 5352 1 1016 . 1 1 96 96 TYR C C 13 176.82 0.1 . . . . . . . . . . 5352 1 1017 . 1 1 96 96 TYR CA C 13 57.22 0.1 . . . . . . . . . . 5352 1 1018 . 1 1 96 96 TYR CB C 13 46.07 0.1 . . . . . . . . . . 5352 1 1019 . 1 1 96 96 TYR N N 15 114.07 0.1 . . . . . . . . . . 5352 1 1020 . 1 1 97 97 ILE H H 1 9.68 0.02 . . . . . . . . . . 5352 1 1021 . 1 1 97 97 ILE HA H 1 5.04 0.02 . . . . . . . . . . 5352 1 1022 . 1 1 97 97 ILE HB H 1 1.59 0.02 . . . . . . . . . . 5352 1 1023 . 1 1 97 97 ILE HG21 H 1 0.42 0.02 . . . . . . . . . . 5352 1 1024 . 1 1 97 97 ILE HG22 H 1 0.42 0.02 . . . . . . . . . . 5352 1 1025 . 1 1 97 97 ILE HG23 H 1 0.42 0.02 . . . . . . . . . . 5352 1 1026 . 1 1 97 97 ILE HD11 H 1 0.12 0.02 . . . . . . . . . . 5352 1 1027 . 1 1 97 97 ILE HD12 H 1 0.12 0.02 . . . . . . . . . . 5352 1 1028 . 1 1 97 97 ILE HD13 H 1 0.12 0.02 . . . . . . . . . . 5352 1 1029 . 1 1 97 97 ILE C C 13 176.19 0.1 . . . . . . . . . . 5352 1 1030 . 1 1 97 97 ILE CA C 13 61.07 0.1 . . . . . . . . . . 5352 1 1031 . 1 1 97 97 ILE CB C 13 39.69 0.1 . . . . . . . . . . 5352 1 1032 . 1 1 97 97 ILE CG1 C 13 27.16 0.1 . . . . . . . . . . 5352 1 1033 . 1 1 97 97 ILE CG2 C 13 16.50 0.1 . . . . . . . . . . 5352 1 1034 . 1 1 97 97 ILE CD1 C 13 15.28 0.1 . . . . . . . . . . 5352 1 1035 . 1 1 97 97 ILE N N 15 121.85 0.1 . . . . . . . . . . 5352 1 1036 . 1 1 98 98 VAL H H 1 9.95 0.02 . . . . . . . . . . 5352 1 1037 . 1 1 98 98 VAL HA H 1 4.41 0.02 . . . . . . . . . . 5352 1 1038 . 1 1 98 98 VAL HB H 1 2.58 0.02 . . . . . . . . . . 5352 1 1039 . 1 1 98 98 VAL HG11 H 1 1.42 0.02 . 2 . . . . . . . . 5352 1 1040 . 1 1 98 98 VAL HG12 H 1 1.42 0.02 . 2 . . . . . . . . 5352 1 1041 . 1 1 98 98 VAL HG13 H 1 1.42 0.02 . 2 . . . . . . . . 5352 1 1042 . 1 1 98 98 VAL HG21 H 1 1.18 0.02 . 2 . . . . . . . . 5352 1 1043 . 1 1 98 98 VAL HG22 H 1 1.18 0.02 . 2 . . . . . . . . 5352 1 1044 . 1 1 98 98 VAL HG23 H 1 1.18 0.02 . 2 . . . . . . . . 5352 1 1045 . 1 1 98 98 VAL C C 13 174.38 0.1 . . . . . . . . . . 5352 1 1046 . 1 1 98 98 VAL CA C 13 63.11 0.1 . . . . . . . . . . 5352 1 1047 . 1 1 98 98 VAL CB C 13 34.07 0.1 . . . . . . . . . . 5352 1 1048 . 1 1 98 98 VAL CG1 C 13 22.99 0.1 . 2 . . . . . . . . 5352 1 1049 . 1 1 98 98 VAL CG2 C 13 21.86 0.1 . 2 . . . . . . . . 5352 1 1050 . 1 1 98 98 VAL N N 15 125.89 0.1 . . . . . . . . . . 5352 1 1051 . 1 1 99 99 ASP H H 1 8.20 0.02 . . . . . . . . . . 5352 1 1052 . 1 1 99 99 ASP HA H 1 5.66 0.02 . . . . . . . . . . 5352 1 1053 . 1 1 99 99 ASP HB2 H 1 3.25 0.02 . 2 . . . . . . . . 5352 1 1054 . 1 1 99 99 ASP HB3 H 1 2.27 0.02 . 2 . . . . . . . . 5352 1 1055 . 1 1 99 99 ASP C C 13 175.76 0.1 . . . . . . . . . . 5352 1 1056 . 1 1 99 99 ASP CA C 13 54.94 0.1 . . . . . . . . . . 5352 1 1057 . 1 1 99 99 ASP CB C 13 43.13 0.1 . . . . . . . . . . 5352 1 1058 . 1 1 99 99 ASP CG C 13 179.63 0.1 . . . . . . . . . . 5352 1 1059 . 1 1 99 99 ASP N N 15 129.07 0.1 . . . . . . . . . . 5352 1 1060 . 1 1 100 100 SER H H 1 8.16 0.02 . . . . . . . . . . 5352 1 1061 . 1 1 100 100 SER HA H 1 4.43 0.02 . . . . . . . . . . 5352 1 1062 . 1 1 100 100 SER HB2 H 1 4.34 0.02 . 2 . . . . . . . . 5352 1 1063 . 1 1 100 100 SER HB3 H 1 3.40 0.02 . 2 . . . . . . . . 5352 1 1064 . 1 1 100 100 SER C C 13 173 0.1 . . . . . . . . . . 5352 1 1065 . 1 1 100 100 SER CA C 13 57.33 0.1 . . . . . . . . . . 5352 1 1066 . 1 1 100 100 SER CB C 13 63.58 0.1 . . . . . . . . . . 5352 1 1067 . 1 1 100 100 SER N N 15 107.76 0.1 . . . . . . . . . . 5352 1 1068 . 1 1 101 101 TRP H H 1 7.62 0.02 . . . . . . . . . . 5352 1 1069 . 1 1 101 101 TRP HA H 1 6.54 0.02 . . . . . . . . . . 5352 1 1070 . 1 1 101 101 TRP HB2 H 1 3.93 0.02 . 2 . . . . . . . . 5352 1 1071 . 1 1 101 101 TRP HB3 H 1 3.75 0.02 . 2 . . . . . . . . 5352 1 1072 . 1 1 101 101 TRP HD1 H 1 6.87 0.02 . . . . . . . . . . 5352 1 1073 . 1 1 101 101 TRP HE1 H 1 10.39 0.02 . . . . . . . . . . 5352 1 1074 . 1 1 101 101 TRP C C 13 175.04 0.1 . . . . . . . . . . 5352 1 1075 . 1 1 101 101 TRP CA C 13 56.42 0.1 . . . . . . . . . . 5352 1 1076 . 1 1 101 101 TRP CB C 13 30.06 0.1 . . . . . . . . . . 5352 1 1077 . 1 1 101 101 TRP CG C 13 110.37 0.1 . . . . . . . . . . 5352 1 1078 . 1 1 101 101 TRP CD1 C 13 127.53 0.1 . . . . . . . . . . 5352 1 1079 . 1 1 101 101 TRP CE2 C 13 138.08 0.1 . . . . . . . . . . 5352 1 1080 . 1 1 101 101 TRP N N 15 120.33 0.1 . . . . . . . . . . 5352 1 1081 . 1 1 101 101 TRP NE1 N 15 131.44 0.1 . . . . . . . . . . 5352 1 1082 . 1 1 102 102 GLY H H 1 9.39 0.02 . . . . . . . . . . 5352 1 1083 . 1 1 102 102 GLY HA2 H 1 4.67 0.02 . 2 . . . . . . . . 5352 1 1084 . 1 1 102 102 GLY HA3 H 1 4.53 0.02 . 2 . . . . . . . . 5352 1 1085 . 1 1 102 102 GLY C C 13 174.15 0.1 . . . . . . . . . . 5352 1 1086 . 1 1 102 102 GLY CA C 13 45.33 0.1 . . . . . . . . . . 5352 1 1087 . 1 1 102 102 GLY N N 15 110.55 0.1 . . . . . . . . . . 5352 1 1088 . 1 1 103 103 ASN H H 1 8.23 0.02 . . . . . . . . . . 5352 1 1089 . 1 1 103 103 ASN HA H 1 4.78 0.02 . . . . . . . . . . 5352 1 1090 . 1 1 103 103 ASN HB2 H 1 3.18 0.02 . 2 . . . . . . . . 5352 1 1091 . 1 1 103 103 ASN HB3 H 1 2.95 0.02 . 2 . . . . . . . . 5352 1 1092 . 1 1 103 103 ASN C C 13 175.57 0.1 . . . . . . . . . . 5352 1 1093 . 1 1 103 103 ASN CA C 13 54.22 0.1 . . . . . . . . . . 5352 1 1094 . 1 1 103 103 ASN CB C 13 37.96 0.1 . . . . . . . . . . 5352 1 1095 . 1 1 103 103 ASN CG C 13 176.55 0.1 . . . . . . . . . . 5352 1 1096 . 1 1 103 103 ASN N N 15 124.18 0.1 . . . . . . . . . . 5352 1 1097 . 1 1 104 104 TRP H H 1 8.42 0.02 . . . . . . . . . . 5352 1 1098 . 1 1 104 104 TRP HA H 1 4.86 0.02 . . . . . . . . . . 5352 1 1099 . 1 1 104 104 TRP HB2 H 1 3.20 0.02 . 2 . . . . . . . . 5352 1 1100 . 1 1 104 104 TRP HB3 H 1 3.01 0.02 . 2 . . . . . . . . 5352 1 1101 . 1 1 104 104 TRP HD1 H 1 7.29 0.02 . . . . . . . . . . 5352 1 1102 . 1 1 104 104 TRP HE1 H 1 9.89 0.02 . . . . . . . . . . 5352 1 1103 . 1 1 104 104 TRP C C 13 173.54 0.1 . . . . . . . . . . 5352 1 1104 . 1 1 104 104 TRP CA C 13 57.49 0.1 . . . . . . . . . . 5352 1 1105 . 1 1 104 104 TRP CB C 13 30.69 0.1 . . . . . . . . . . 5352 1 1106 . 1 1 104 104 TRP CG C 13 110.96 0.1 . . . . . . . . . . 5352 1 1107 . 1 1 104 104 TRP CD1 C 13 127.58 0.1 . . . . . . . . . . 5352 1 1108 . 1 1 104 104 TRP CE2 C 13 138.71 0.1 . . . . . . . . . . 5352 1 1109 . 1 1 104 104 TRP N N 15 122.15 0.1 . . . . . . . . . . 5352 1 1110 . 1 1 104 104 TRP NE1 N 15 130.13 0.1 . . . . . . . . . . 5352 1 1111 . 1 1 105 105 ARG H H 1 8.04 0.02 . . . . . . . . . . 5352 1 1112 . 1 1 105 105 ARG HA H 1 2.79 0.02 . . . . . . . . . . 5352 1 1113 . 1 1 105 105 ARG C C 13 171.67 0.1 . . . . . . . . . . 5352 1 1114 . 1 1 105 105 ARG CA C 13 52.37 0.1 . . . . . . . . . . 5352 1 1115 . 1 1 105 105 ARG CB C 13 30.40 0.1 . . . . . . . . . . 5352 1 1116 . 1 1 105 105 ARG N N 15 132.80 0.1 . . . . . . . . . . 5352 1 1117 . 1 1 107 107 PRO HA H 1 3.34 0.02 . . . . . . . . . . 5352 1 1118 . 1 1 107 107 PRO HB2 H 1 0.98 0.02 . 2 . . . . . . . . 5352 1 1119 . 1 1 107 107 PRO HB3 H 1 -1.07 0.02 . 2 . . . . . . . . 5352 1 1120 . 1 1 107 107 PRO HG2 H 1 -0.02 0.02 . 2 . . . . . . . . 5352 1 1121 . 1 1 107 107 PRO HG3 H 1 -0.33 0.02 . 2 . . . . . . . . 5352 1 1122 . 1 1 107 107 PRO HD2 H 1 1.75 0.02 . 1 . . . . . . . . 5352 1 1123 . 1 1 107 107 PRO HD3 H 1 1.75 0.02 . 1 . . . . . . . . 5352 1 1124 . 1 1 107 107 PRO C C 13 175.91 0.1 . . . . . . . . . . 5352 1 1125 . 1 1 107 107 PRO CA C 13 62.90 0.1 . . . . . . . . . . 5352 1 1126 . 1 1 107 107 PRO CB C 13 31 0.1 . . . . . . . . . . 5352 1 1127 . 1 1 107 107 PRO CG C 13 23 0.1 . . . . . . . . . . 5352 1 1128 . 1 1 107 107 PRO CD C 13 46.43 0.1 . . . . . . . . . . 5352 1 1129 . 1 1 108 108 GLY H H 1 7.88 0.02 . . . . . . . . . . 5352 1 1130 . 1 1 108 108 GLY HA2 H 1 4.03 0.02 . 2 . . . . . . . . 5352 1 1131 . 1 1 108 108 GLY HA3 H 1 3.66 0.02 . 2 . . . . . . . . 5352 1 1132 . 1 1 108 108 GLY C C 13 172.80 0.1 . . . . . . . . . . 5352 1 1133 . 1 1 108 108 GLY CA C 13 46.47 0.1 . . . . . . . . . . 5352 1 1134 . 1 1 108 108 GLY N N 15 113.39 0.1 . . . . . . . . . . 5352 1 1135 . 1 1 109 109 ALA H H 1 6.19 0.02 . . . . . . . . . . 5352 1 1136 . 1 1 109 109 ALA HA H 1 4.72 0.02 . . . . . . . . . . 5352 1 1137 . 1 1 109 109 ALA HB1 H 1 1.25 0.02 . . . . . . . . . . 5352 1 1138 . 1 1 109 109 ALA HB2 H 1 1.25 0.02 . . . . . . . . . . 5352 1 1139 . 1 1 109 109 ALA HB3 H 1 1.25 0.02 . . . . . . . . . . 5352 1 1140 . 1 1 109 109 ALA C C 13 175.26 0.1 . . . . . . . . . . 5352 1 1141 . 1 1 109 109 ALA CA C 13 50.51 0.1 . . . . . . . . . . 5352 1 1142 . 1 1 109 109 ALA CB C 13 21.96 0.1 . . . . . . . . . . 5352 1 1143 . 1 1 109 109 ALA N N 15 120.29 0.1 . . . . . . . . . . 5352 1 1144 . 1 1 110 110 THR H H 1 8.49 0.02 . . . . . . . . . . 5352 1 1145 . 1 1 110 110 THR HA H 1 5 0.02 . . . . . . . . . . 5352 1 1146 . 1 1 110 110 THR C C 13 172.91 0.1 . . . . . . . . . . 5352 1 1147 . 1 1 110 110 THR CA C 13 60.50 0.1 . . . . . . . . . . 5352 1 1148 . 1 1 110 110 THR CB C 13 69.95 0.1 . . . . . . . . . . 5352 1 1149 . 1 1 110 110 THR N N 15 117.52 0.1 . . . . . . . . . . 5352 1 1150 . 1 1 111 111 PRO HA H 1 4.09 0.02 . . . . . . . . . . 5352 1 1151 . 1 1 111 111 PRO HB2 H 1 1.84 0.02 . 2 . . . . . . . . 5352 1 1152 . 1 1 111 111 PRO HB3 H 1 1.65 0.02 . 2 . . . . . . . . 5352 1 1153 . 1 1 111 111 PRO HG2 H 1 2.04 0.02 . 2 . . . . . . . . 5352 1 1154 . 1 1 111 111 PRO HD2 H 1 3.84 0.02 . 1 . . . . . . . . 5352 1 1155 . 1 1 111 111 PRO HD3 H 1 3.84 0.02 . 1 . . . . . . . . 5352 1 1156 . 1 1 111 111 PRO C C 13 177.32 0.1 . . . . . . . . . . 5352 1 1157 . 1 1 111 111 PRO CA C 13 63.30 0.1 . . . . . . . . . . 5352 1 1158 . 1 1 111 111 PRO CB C 13 32.50 0.1 . . . . . . . . . . 5352 1 1159 . 1 1 111 111 PRO CG C 13 27.15 0.1 . . . . . . . . . . 5352 1 1160 . 1 1 111 111 PRO CD C 13 51.20 0.1 . . . . . . . . . . 5352 1 1161 . 1 1 112 112 LYS H H 1 9.26 0.02 . . . . . . . . . . 5352 1 1162 . 1 1 112 112 LYS HA H 1 4.48 0.02 . . . . . . . . . . 5352 1 1163 . 1 1 112 112 LYS HB2 H 1 1.76 0.02 . 2 . . . . . . . . 5352 1 1164 . 1 1 112 112 LYS HB3 H 1 1.61 0.02 . 2 . . . . . . . . 5352 1 1165 . 1 1 112 112 LYS HD2 H 1 2.23 0.02 . 2 . . . . . . . . 5352 1 1166 . 1 1 112 112 LYS HD3 H 1 1.96 0.02 . 2 . . . . . . . . 5352 1 1167 . 1 1 112 112 LYS HE2 H 1 3 0.02 . . . . . . . . . . 5352 1 1168 . 1 1 112 112 LYS HE3 H 1 3 0.02 . . . . . . . . . . 5352 1 1169 . 1 1 112 112 LYS C C 13 175.93 0.1 . . . . . . . . . . 5352 1 1170 . 1 1 112 112 LYS CA C 13 55.44 0.1 . . . . . . . . . . 5352 1 1171 . 1 1 112 112 LYS CB C 13 34.26 0.1 . . . . . . . . . . 5352 1 1172 . 1 1 112 112 LYS CG C 13 24.14 0.1 . . . . . . . . . . 5352 1 1173 . 1 1 112 112 LYS CD C 13 29.56 0.1 . . . . . . . . . . 5352 1 1174 . 1 1 112 112 LYS CE C 13 41.67 0.1 . . . . . . . . . . 5352 1 1175 . 1 1 112 112 LYS N N 15 119.68 0.1 . . . . . . . . . . 5352 1 1176 . 1 1 113 113 GLY H H 1 7.35 0.02 . . . . . . . . . . 5352 1 1177 . 1 1 113 113 GLY HA2 H 1 4.15 0.02 . 1 . . . . . . . . 5352 1 1178 . 1 1 113 113 GLY HA3 H 1 4.15 0.02 . 1 . . . . . . . . 5352 1 1179 . 1 1 113 113 GLY C C 13 171.17 0.1 . . . . . . . . . . 5352 1 1180 . 1 1 113 113 GLY CA C 13 45.11 0.1 . . . . . . . . . . 5352 1 1181 . 1 1 113 113 GLY N N 15 104.46 0.1 . . . . . . . . . . 5352 1 1182 . 1 1 114 114 THR H H 1 8.31 0.02 . . . . . . . . . . 5352 1 1183 . 1 1 114 114 THR HA H 1 5.58 0.02 . . . . . . . . . . 5352 1 1184 . 1 1 114 114 THR HB H 1 3.96 0.02 . . . . . . . . . . 5352 1 1185 . 1 1 114 114 THR HG21 H 1 1.19 0.02 . . . . . . . . . . 5352 1 1186 . 1 1 114 114 THR HG22 H 1 1.19 0.02 . . . . . . . . . . 5352 1 1187 . 1 1 114 114 THR HG23 H 1 1.19 0.02 . . . . . . . . . . 5352 1 1188 . 1 1 114 114 THR C C 13 173.46 0.1 . . . . . . . . . . 5352 1 1189 . 1 1 114 114 THR CA C 13 60.46 0.1 . . . . . . . . . . 5352 1 1190 . 1 1 114 114 THR CB C 13 73.73 0.1 . . . . . . . . . . 5352 1 1191 . 1 1 114 114 THR CG2 C 13 22.28 0.1 . . . . . . . . . . 5352 1 1192 . 1 1 114 114 THR N N 15 111.24 0.1 . . . . . . . . . . 5352 1 1193 . 1 1 115 115 ILE H H 1 9.06 0.02 . . . . . . . . . . 5352 1 1194 . 1 1 115 115 ILE HA H 1 4.69 0.02 . . . . . . . . . . 5352 1 1195 . 1 1 115 115 ILE HB H 1 1.75 0.02 . . . . . . . . . . 5352 1 1196 . 1 1 115 115 ILE HG12 H 1 1.46 0.02 . 2 . . . . . . . . 5352 1 1197 . 1 1 115 115 ILE HG13 H 1 0.76 0.02 . 2 . . . . . . . . 5352 1 1198 . 1 1 115 115 ILE HG21 H 1 0.89 0.02 . . . . . . . . . . 5352 1 1199 . 1 1 115 115 ILE HG22 H 1 0.89 0.02 . . . . . . . . . . 5352 1 1200 . 1 1 115 115 ILE HG23 H 1 0.89 0.02 . . . . . . . . . . 5352 1 1201 . 1 1 115 115 ILE HD11 H 1 0.29 0.02 . . . . . . . . . . 5352 1 1202 . 1 1 115 115 ILE HD12 H 1 0.29 0.02 . . . . . . . . . . 5352 1 1203 . 1 1 115 115 ILE HD13 H 1 0.29 0.02 . . . . . . . . . . 5352 1 1204 . 1 1 115 115 ILE C C 13 173.35 0.1 . . . . . . . . . . 5352 1 1205 . 1 1 115 115 ILE CA C 13 59.90 0.1 . . . . . . . . . . 5352 1 1206 . 1 1 115 115 ILE CB C 13 40.99 0.1 . . . . . . . . . . 5352 1 1207 . 1 1 115 115 ILE CG1 C 13 28.03 0.1 . . . . . . . . . . 5352 1 1208 . 1 1 115 115 ILE CG2 C 13 16.58 0.1 . . . . . . . . . . 5352 1 1209 . 1 1 115 115 ILE CD1 C 13 13.56 0.1 . . . . . . . . . . 5352 1 1210 . 1 1 115 115 ILE N N 15 118.25 0.1 . . . . . . . . . . 5352 1 1211 . 1 1 116 116 THR H H 1 8.70 0.02 . . . . . . . . . . 5352 1 1212 . 1 1 116 116 THR HA H 1 5.53 0.02 . . . . . . . . . . 5352 1 1213 . 1 1 116 116 THR HB H 1 4.01 0.02 . . . . . . . . . . 5352 1 1214 . 1 1 116 116 THR HG21 H 1 1.16 0.02 . . . . . . . . . . 5352 1 1215 . 1 1 116 116 THR HG22 H 1 1.16 0.02 . . . . . . . . . . 5352 1 1216 . 1 1 116 116 THR HG23 H 1 1.16 0.02 . . . . . . . . . . 5352 1 1217 . 1 1 116 116 THR C C 13 173.61 0.1 . . . . . . . . . . 5352 1 1218 . 1 1 116 116 THR CA C 13 61.48 0.1 . . . . . . . . . . 5352 1 1219 . 1 1 116 116 THR CB C 13 69.75 0.1 . . . . . . . . . . 5352 1 1220 . 1 1 116 116 THR CG2 C 13 20.93 0.1 . . . . . . . . . . 5352 1 1221 . 1 1 116 116 THR N N 15 125.71 0.1 . . . . . . . . . . 5352 1 1222 . 1 1 117 117 VAL H H 1 9.15 0.02 . . . . . . . . . . 5352 1 1223 . 1 1 117 117 VAL HA H 1 4.39 0.02 . . . . . . . . . . 5352 1 1224 . 1 1 117 117 VAL HB H 1 1.88 0.02 . . . . . . . . . . 5352 1 1225 . 1 1 117 117 VAL HG11 H 1 0.89 0.02 . 2 . . . . . . . . 5352 1 1226 . 1 1 117 117 VAL HG12 H 1 0.89 0.02 . 2 . . . . . . . . 5352 1 1227 . 1 1 117 117 VAL HG13 H 1 0.89 0.02 . 2 . . . . . . . . 5352 1 1228 . 1 1 117 117 VAL HG21 H 1 0.53 0.02 . 2 . . . . . . . . 5352 1 1229 . 1 1 117 117 VAL HG22 H 1 0.53 0.02 . 2 . . . . . . . . 5352 1 1230 . 1 1 117 117 VAL HG23 H 1 0.53 0.02 . 2 . . . . . . . . 5352 1 1231 . 1 1 117 117 VAL C C 13 172.82 0.1 . . . . . . . . . . 5352 1 1232 . 1 1 117 117 VAL CA C 13 60.71 0.1 . . . . . . . . . . 5352 1 1233 . 1 1 117 117 VAL CB C 13 33.30 0.1 . . . . . . . . . . 5352 1 1234 . 1 1 117 117 VAL CG1 C 13 21.35 0.1 . 2 . . . . . . . . 5352 1 1235 . 1 1 117 117 VAL CG2 C 13 19.20 0.1 . 2 . . . . . . . . 5352 1 1236 . 1 1 117 117 VAL N N 15 127.71 0.1 . . . . . . . . . . 5352 1 1237 . 1 1 118 118 ASP H H 1 9.07 0.02 . . . . . . . . . . 5352 1 1238 . 1 1 118 118 ASP HA H 1 4.42 0.02 . . . . . . . . . . 5352 1 1239 . 1 1 118 118 ASP HB2 H 1 3.42 0.02 . 2 . . . . . . . . 5352 1 1240 . 1 1 118 118 ASP HB3 H 1 3.13 0.02 . 2 . . . . . . . . 5352 1 1241 . 1 1 118 118 ASP C C 13 177.45 0.1 . . . . . . . . . . 5352 1 1242 . 1 1 118 118 ASP CA C 13 55.70 0.1 . . . . . . . . . . 5352 1 1243 . 1 1 118 118 ASP CB C 13 40.73 0.1 . . . . . . . . . . 5352 1 1244 . 1 1 118 118 ASP CG C 13 181.35 0.1 . . . . . . . . . . 5352 1 1245 . 1 1 118 118 ASP N N 15 121.88 0.1 . . . . . . . . . . 5352 1 1246 . 1 1 119 119 GLY H H 1 8.91 0.02 . . . . . . . . . . 5352 1 1247 . 1 1 119 119 GLY HA2 H 1 4.20 0.02 . 2 . . . . . . . . 5352 1 1248 . 1 1 119 119 GLY HA3 H 1 3.78 0.02 . 2 . . . . . . . . 5352 1 1249 . 1 1 119 119 GLY C C 13 174.12 0.1 . . . . . . . . . . 5352 1 1250 . 1 1 119 119 GLY CA C 13 46.04 0.1 . . . . . . . . . . 5352 1 1251 . 1 1 119 119 GLY N N 15 104.91 0.1 . . . . . . . . . . 5352 1 1252 . 1 1 120 120 GLY H H 1 8.14 0.02 . . . . . . . . . . 5352 1 1253 . 1 1 120 120 GLY HA2 H 1 4.74 0.02 . 2 . . . . . . . . 5352 1 1254 . 1 1 120 120 GLY HA3 H 1 3.61 0.02 . 2 . . . . . . . . 5352 1 1255 . 1 1 120 120 GLY C C 13 170.97 0.1 . . . . . . . . . . 5352 1 1256 . 1 1 120 120 GLY CA C 13 44.05 0.1 . . . . . . . . . . 5352 1 1257 . 1 1 120 120 GLY N N 15 109.12 0.1 . . . . . . . . . . 5352 1 1258 . 1 1 121 121 THR H H 1 8.30 0.02 . . . . . . . . . . 5352 1 1259 . 1 1 121 121 THR HA H 1 5.16 0.02 . . . . . . . . . . 5352 1 1260 . 1 1 121 121 THR HB H 1 3.79 0.02 . . . . . . . . . . 5352 1 1261 . 1 1 121 121 THR HG21 H 1 1.10 0.02 . . . . . . . . . . 5352 1 1262 . 1 1 121 121 THR HG22 H 1 1.10 0.02 . . . . . . . . . . 5352 1 1263 . 1 1 121 121 THR HG23 H 1 1.10 0.02 . . . . . . . . . . 5352 1 1264 . 1 1 121 121 THR C C 13 172.33 0.1 . . . . . . . . . . 5352 1 1265 . 1 1 121 121 THR CA C 13 62.70 0.1 . . . . . . . . . . 5352 1 1266 . 1 1 121 121 THR CB C 13 70.81 0.1 . . . . . . . . . . 5352 1 1267 . 1 1 121 121 THR CG2 C 13 21.41 0.1 . . . . . . . . . . 5352 1 1268 . 1 1 121 121 THR N N 15 115.53 0.1 . . . . . . . . . . 5352 1 1269 . 1 1 122 122 TYR H H 1 9.74 0.02 . . . . . . . . . . 5352 1 1270 . 1 1 122 122 TYR HA H 1 5.18 0.02 . . . . . . . . . . 5352 1 1271 . 1 1 122 122 TYR HB2 H 1 3.31 0.02 . 2 . . . . . . . . 5352 1 1272 . 1 1 122 122 TYR HB3 H 1 2.73 0.02 . 2 . . . . . . . . 5352 1 1273 . 1 1 122 122 TYR C C 13 176.07 0.1 . . . . . . . . . . 5352 1 1274 . 1 1 122 122 TYR CA C 13 55.84 0.1 . . . . . . . . . . 5352 1 1275 . 1 1 122 122 TYR CB C 13 39.53 0.1 . . . . . . . . . . 5352 1 1276 . 1 1 122 122 TYR N N 15 125.09 0.1 . . . . . . . . . . 5352 1 1277 . 1 1 123 123 ASP H H 1 8.48 0.02 . . . . . . . . . . 5352 1 1278 . 1 1 123 123 ASP HA H 1 5.16 0.02 . . . . . . . . . . 5352 1 1279 . 1 1 123 123 ASP HB2 H 1 2.62 0.02 . 2 . . . . . . . . 5352 1 1280 . 1 1 123 123 ASP HB3 H 1 2.04 0.02 . 2 . . . . . . . . 5352 1 1281 . 1 1 123 123 ASP C C 13 174.43 0.1 . . . . . . . . . . 5352 1 1282 . 1 1 123 123 ASP CA C 13 54.81 0.1 . . . . . . . . . . 5352 1 1283 . 1 1 123 123 ASP CB C 13 45.61 0.1 . . . . . . . . . . 5352 1 1284 . 1 1 123 123 ASP CG C 13 180.32 0.1 . . . . . . . . . . 5352 1 1285 . 1 1 123 123 ASP N N 15 121.17 0.1 . . . . . . . . . . 5352 1 1286 . 1 1 124 124 ILE H H 1 8.23 0.02 . . . . . . . . . . 5352 1 1287 . 1 1 124 124 ILE HA H 1 5.59 0.02 . . . . . . . . . . 5352 1 1288 . 1 1 124 124 ILE HB H 1 1.07 0.02 . . . . . . . . . . 5352 1 1289 . 1 1 124 124 ILE HG12 H 1 1.48 0.02 . 2 . . . . . . . . 5352 1 1290 . 1 1 124 124 ILE HG21 H 1 0.93 0.02 . . . . . . . . . . 5352 1 1291 . 1 1 124 124 ILE HG22 H 1 0.93 0.02 . . . . . . . . . . 5352 1 1292 . 1 1 124 124 ILE HG23 H 1 0.93 0.02 . . . . . . . . . . 5352 1 1293 . 1 1 124 124 ILE HD11 H 1 0.80 0.02 . . . . . . . . . . 5352 1 1294 . 1 1 124 124 ILE HD12 H 1 0.80 0.02 . . . . . . . . . . 5352 1 1295 . 1 1 124 124 ILE HD13 H 1 0.80 0.02 . . . . . . . . . . 5352 1 1296 . 1 1 124 124 ILE C C 13 174.94 0.1 . . . . . . . . . . 5352 1 1297 . 1 1 124 124 ILE CA C 13 59.86 0.1 . . . . . . . . . . 5352 1 1298 . 1 1 124 124 ILE CB C 13 40.23 0.1 . . . . . . . . . . 5352 1 1299 . 1 1 124 124 ILE CG1 C 13 27.79 0.1 . . . . . . . . . . 5352 1 1300 . 1 1 124 124 ILE CG2 C 13 18.85 0.1 . . . . . . . . . . 5352 1 1301 . 1 1 124 124 ILE CD1 C 13 14.71 0.1 . . . . . . . . . . 5352 1 1302 . 1 1 124 124 ILE N N 15 122.52 0.1 . . . . . . . . . . 5352 1 1303 . 1 1 125 125 TYR H H 1 9.39 0.02 . . . . . . . . . . 5352 1 1304 . 1 1 125 125 TYR HA H 1 4.91 0.02 . . . . . . . . . . 5352 1 1305 . 1 1 125 125 TYR HB2 H 1 2.67 0.02 . 2 . . . . . . . . 5352 1 1306 . 1 1 125 125 TYR HB3 H 1 2.41 0.02 . 2 . . . . . . . . 5352 1 1307 . 1 1 125 125 TYR C C 13 173.03 0.1 . . . . . . . . . . 5352 1 1308 . 1 1 125 125 TYR CA C 13 55.34 0.1 . . . . . . . . . . 5352 1 1309 . 1 1 125 125 TYR CB C 13 42.47 0.1 . . . . . . . . . . 5352 1 1310 . 1 1 125 125 TYR N N 15 122.74 0.1 . . . . . . . . . . 5352 1 1311 . 1 1 126 126 GLU H H 1 9.01 0.02 . . . . . . . . . . 5352 1 1312 . 1 1 126 126 GLU HA H 1 5.79 0.02 . . . . . . . . . . 5352 1 1313 . 1 1 126 126 GLU HB2 H 1 2.02 0.02 . 1 . . . . . . . . 5352 1 1314 . 1 1 126 126 GLU HB3 H 1 2.02 0.02 . 1 . . . . . . . . 5352 1 1315 . 1 1 126 126 GLU HG2 H 1 2.50 0.02 . 2 . . . . . . . . 5352 1 1316 . 1 1 126 126 GLU HG3 H 1 2.22 0.02 . 2 . . . . . . . . 5352 1 1317 . 1 1 126 126 GLU C C 13 175.45 0.1 . . . . . . . . . . 5352 1 1318 . 1 1 126 126 GLU CA C 13 55.19 0.1 . . . . . . . . . . 5352 1 1319 . 1 1 126 126 GLU CB C 13 34.34 0.1 . . . . . . . . . . 5352 1 1320 . 1 1 126 126 GLU CG C 13 36.64 0.1 . . . . . . . . . . 5352 1 1321 . 1 1 126 126 GLU CD C 13 182.32 0.1 . . . . . . . . . . 5352 1 1322 . 1 1 126 126 GLU N N 15 121.58 0.1 . . . . . . . . . . 5352 1 1323 . 1 1 127 127 THR H H 1 9.59 0.02 . . . . . . . . . . 5352 1 1324 . 1 1 127 127 THR HA H 1 4.85 0.02 . . . . . . . . . . 5352 1 1325 . 1 1 127 127 THR HB H 1 4.53 0.02 . . . . . . . . . . 5352 1 1326 . 1 1 127 127 THR HG21 H 1 1 0.02 . . . . . . . . . . 5352 1 1327 . 1 1 127 127 THR HG22 H 1 1 0.02 . . . . . . . . . . 5352 1 1328 . 1 1 127 127 THR HG23 H 1 1 0.02 . . . . . . . . . . 5352 1 1329 . 1 1 127 127 THR C C 13 172.90 0.1 . . . . . . . . . . 5352 1 1330 . 1 1 127 127 THR CA C 13 60.40 0.1 . . . . . . . . . . 5352 1 1331 . 1 1 127 127 THR CB C 13 71.47 0.1 . . . . . . . . . . 5352 1 1332 . 1 1 127 127 THR CG2 C 13 22.16 0.1 . . . . . . . . . . 5352 1 1333 . 1 1 127 127 THR N N 15 118.12 0.1 . . . . . . . . . . 5352 1 1334 . 1 1 128 128 LEU H H 1 8.51 0.02 . . . . . . . . . . 5352 1 1335 . 1 1 128 128 LEU HA H 1 4.86 0.02 . . . . . . . . . . 5352 1 1336 . 1 1 128 128 LEU HB2 H 1 1.71 0.02 . 2 . . . . . . . . 5352 1 1337 . 1 1 128 128 LEU HB3 H 1 1.39 0.02 . 2 . . . . . . . . 5352 1 1338 . 1 1 128 128 LEU HG H 1 0.97 0.02 . . . . . . . . . . 5352 1 1339 . 1 1 128 128 LEU HD11 H 1 0.79 0.02 . 1 . . . . . . . . 5352 1 1340 . 1 1 128 128 LEU HD12 H 1 0.79 0.02 . 1 . . . . . . . . 5352 1 1341 . 1 1 128 128 LEU HD13 H 1 0.79 0.02 . 1 . . . . . . . . 5352 1 1342 . 1 1 128 128 LEU HD21 H 1 0.79 0.02 . 1 . . . . . . . . 5352 1 1343 . 1 1 128 128 LEU HD22 H 1 0.79 0.02 . 1 . . . . . . . . 5352 1 1344 . 1 1 128 128 LEU HD23 H 1 0.79 0.02 . 1 . . . . . . . . 5352 1 1345 . 1 1 128 128 LEU C C 13 175.85 0.1 . . . . . . . . . . 5352 1 1346 . 1 1 128 128 LEU CA C 13 54.61 0.1 . . . . . . . . . . 5352 1 1347 . 1 1 128 128 LEU CB C 13 45.67 0.1 . . . . . . . . . . 5352 1 1348 . 1 1 128 128 LEU CG C 13 27.20 0.1 . . . . . . . . . . 5352 1 1349 . 1 1 128 128 LEU CD1 C 13 25.73 0.1 . . . . . . . . . . 5352 1 1350 . 1 1 128 128 LEU CD2 C 13 23.28 0.1 . . . . . . . . . . 5352 1 1351 . 1 1 128 128 LEU N N 15 122.48 0.1 . . . . . . . . . . 5352 1 1352 . 1 1 129 129 ARG H H 1 8.72 0.02 . . . . . . . . . . 5352 1 1353 . 1 1 129 129 ARG HA H 1 4.38 0.02 . . . . . . . . . . 5352 1 1354 . 1 1 129 129 ARG HB2 H 1 0.67 0.02 . 2 . . . . . . . . 5352 1 1355 . 1 1 129 129 ARG HB3 H 1 0.29 0.02 . 2 . . . . . . . . 5352 1 1356 . 1 1 129 129 ARG HG2 H 1 1.36 0.02 . 2 . . . . . . . . 5352 1 1357 . 1 1 129 129 ARG HG3 H 1 1.13 0.02 . 2 . . . . . . . . 5352 1 1358 . 1 1 129 129 ARG HD2 H 1 3.10 0.02 . . . . . . . . . . 5352 1 1359 . 1 1 129 129 ARG C C 13 173.52 0.1 . . . . . . . . . . 5352 1 1360 . 1 1 129 129 ARG CA C 13 53 0.1 . . . . . . . . . . 5352 1 1361 . 1 1 129 129 ARG CB C 13 29.98 0.1 . . . . . . . . . . 5352 1 1362 . 1 1 129 129 ARG CG C 13 25.58 0.1 . . . . . . . . . . 5352 1 1363 . 1 1 129 129 ARG CD C 13 42.31 0.1 . . . . . . . . . . 5352 1 1364 . 1 1 129 129 ARG N N 15 127.03 0.1 . . . . . . . . . . 5352 1 1365 . 1 1 130 130 VAL H H 1 8.43 0.02 . . . . . . . . . . 5352 1 1366 . 1 1 130 130 VAL HA H 1 4.33 0.02 . . . . . . . . . . 5352 1 1367 . 1 1 130 130 VAL HB H 1 1.89 0.02 . . . . . . . . . . 5352 1 1368 . 1 1 130 130 VAL HG11 H 1 0.88 0.02 . 1 . . . . . . . . 5352 1 1369 . 1 1 130 130 VAL HG12 H 1 0.88 0.02 . 1 . . . . . . . . 5352 1 1370 . 1 1 130 130 VAL HG13 H 1 0.88 0.02 . 1 . . . . . . . . 5352 1 1371 . 1 1 130 130 VAL HG21 H 1 0.88 0.02 . 1 . . . . . . . . 5352 1 1372 . 1 1 130 130 VAL HG22 H 1 0.88 0.02 . 1 . . . . . . . . 5352 1 1373 . 1 1 130 130 VAL HG23 H 1 0.88 0.02 . 1 . . . . . . . . 5352 1 1374 . 1 1 130 130 VAL C C 13 175.69 0.1 . . . . . . . . . . 5352 1 1375 . 1 1 130 130 VAL CA C 13 61.48 0.1 . . . . . . . . . . 5352 1 1376 . 1 1 130 130 VAL CB C 13 32.97 0.1 . . . . . . . . . . 5352 1 1377 . 1 1 130 130 VAL CG1 C 13 20.96 0.1 . 1 . . . . . . . . 5352 1 1378 . 1 1 130 130 VAL CG2 C 13 20.96 0.1 . 1 . . . . . . . . 5352 1 1379 . 1 1 130 130 VAL N N 15 122.28 0.1 . . . . . . . . . . 5352 1 1380 . 1 1 131 131 ASN H H 1 8.19 0.02 . . . . . . . . . . 5352 1 1381 . 1 1 131 131 ASN HA H 1 3.91 0.02 . . . . . . . . . . 5352 1 1382 . 1 1 131 131 ASN HB2 H 1 2.78 0.02 . 2 . . . . . . . . 5352 1 1383 . 1 1 131 131 ASN HB3 H 1 2.74 0.02 . 2 . . . . . . . . 5352 1 1384 . 1 1 131 131 ASN C C 13 173.61 0.1 . . . . . . . . . . 5352 1 1385 . 1 1 131 131 ASN CA C 13 54.47 0.1 . . . . . . . . . . 5352 1 1386 . 1 1 131 131 ASN CB C 13 37.27 0.1 . . . . . . . . . . 5352 1 1387 . 1 1 131 131 ASN CG C 13 177.59 0.1 . . . . . . . . . . 5352 1 1388 . 1 1 131 131 ASN N N 15 127.72 0.1 . . . . . . . . . . 5352 1 1389 . 1 1 132 132 GLN H H 1 8.86 0.02 . . . . . . . . . . 5352 1 1390 . 1 1 132 132 GLN HA H 1 5.02 0.02 . . . . . . . . . . 5352 1 1391 . 1 1 132 132 GLN C C 13 173.40 0.1 . . . . . . . . . . 5352 1 1392 . 1 1 132 132 GLN CA C 13 52.43 0.1 . . . . . . . . . . 5352 1 1393 . 1 1 132 132 GLN CB C 13 30.45 0.1 . . . . . . . . . . 5352 1 1394 . 1 1 132 132 GLN N N 15 117.44 0.1 . . . . . . . . . . 5352 1 1395 . 1 1 133 133 PRO HA H 1 4.16 0.02 . . . . . . . . . . 5352 1 1396 . 1 1 133 133 PRO HB2 H 1 2.33 0.02 . 2 . . . . . . . . 5352 1 1397 . 1 1 133 133 PRO HB3 H 1 1.85 0.02 . 2 . . . . . . . . 5352 1 1398 . 1 1 133 133 PRO HG2 H 1 2.25 0.02 . 2 . . . . . . . . 5352 1 1399 . 1 1 133 133 PRO HG3 H 1 1.99 0.02 . 2 . . . . . . . . 5352 1 1400 . 1 1 133 133 PRO HD2 H 1 3.83 0.02 . 1 . . . . . . . . 5352 1 1401 . 1 1 133 133 PRO HD3 H 1 3.83 0.02 . 1 . . . . . . . . 5352 1 1402 . 1 1 133 133 PRO C C 13 174.99 0.1 . . . . . . . . . . 5352 1 1403 . 1 1 133 133 PRO CA C 13 64.50 0.1 . . . . . . . . . . 5352 1 1404 . 1 1 133 133 PRO CB C 13 32.30 0.1 . . . . . . . . . . 5352 1 1405 . 1 1 133 133 PRO CG C 13 28.06 0.1 . . . . . . . . . . 5352 1 1406 . 1 1 133 133 PRO CD C 13 50.98 0.1 . . . . . . . . . . 5352 1 1407 . 1 1 134 134 SER H H 1 7.52 0.02 . . . . . . . . . . 5352 1 1408 . 1 1 134 134 SER HA H 1 4.59 0.02 . . . . . . . . . . 5352 1 1409 . 1 1 134 134 SER C C 13 175.42 0.1 . . . . . . . . . . 5352 1 1410 . 1 1 134 134 SER CA C 13 56.91 0.1 . . . . . . . . . . 5352 1 1411 . 1 1 134 134 SER CB C 13 69.90 0.1 . . . . . . . . . . 5352 1 1412 . 1 1 134 134 SER N N 15 117.67 0.1 . . . . . . . . . . 5352 1 1413 . 1 1 135 135 ILE H H 1 4.23 0.02 . . . . . . . . . . 5352 1 1414 . 1 1 135 135 ILE HA H 1 3.55 0.02 . . . . . . . . . . 5352 1 1415 . 1 1 135 135 ILE HB H 1 0.84 0.02 . . . . . . . . . . 5352 1 1416 . 1 1 135 135 ILE HG12 H 1 0 0.02 . 2 . . . . . . . . 5352 1 1417 . 1 1 135 135 ILE HG21 H 1 -0.5 0.02 . . . . . . . . . . 5352 1 1418 . 1 1 135 135 ILE HG22 H 1 -0.5 0.02 . . . . . . . . . . 5352 1 1419 . 1 1 135 135 ILE HG23 H 1 -0.5 0.02 . . . . . . . . . . 5352 1 1420 . 1 1 135 135 ILE HD11 H 1 -0.83 0.02 . . . . . . . . . . 5352 1 1421 . 1 1 135 135 ILE HD12 H 1 -0.83 0.02 . . . . . . . . . . 5352 1 1422 . 1 1 135 135 ILE HD13 H 1 -0.83 0.02 . . . . . . . . . . 5352 1 1423 . 1 1 135 135 ILE C C 13 175.79 0.1 . . . . . . . . . . 5352 1 1424 . 1 1 135 135 ILE CA C 13 63.10 0.1 . . . . . . . . . . 5352 1 1425 . 1 1 135 135 ILE CB C 13 36.65 0.1 . . . . . . . . . . 5352 1 1426 . 1 1 135 135 ILE CG1 C 13 24.64 0.1 . . . . . . . . . . 5352 1 1427 . 1 1 135 135 ILE CG2 C 13 16.21 0.1 . . . . . . . . . . 5352 1 1428 . 1 1 135 135 ILE CD1 C 13 12.25 0.1 . . . . . . . . . . 5352 1 1429 . 1 1 135 135 ILE N N 15 109.34 0.1 . . . . . . . . . . 5352 1 1430 . 1 1 136 136 LYS H H 1 8.01 0.02 . . . . . . . . . . 5352 1 1431 . 1 1 136 136 LYS HA H 1 4.48 0.02 . . . . . . . . . . 5352 1 1432 . 1 1 136 136 LYS HB2 H 1 1.92 0.02 . 2 . . . . . . . . 5352 1 1433 . 1 1 136 136 LYS HB3 H 1 1.19 0.02 . 2 . . . . . . . . 5352 1 1434 . 1 1 136 136 LYS HG2 H 1 0.65 0.02 . 1 . . . . . . . . 5352 1 1435 . 1 1 136 136 LYS HG3 H 1 0.65 0.02 . 1 . . . . . . . . 5352 1 1436 . 1 1 136 136 LYS HD2 H 1 1.41 0.02 . 2 . . . . . . . . 5352 1 1437 . 1 1 136 136 LYS HD3 H 1 1.30 0.02 . 2 . . . . . . . . 5352 1 1438 . 1 1 136 136 LYS HE2 H 1 2.78 0.02 . . . . . . . . . . 5352 1 1439 . 1 1 136 136 LYS HE3 H 1 2.26 0.02 . . . . . . . . . . 5352 1 1440 . 1 1 136 136 LYS C C 13 175.87 0.1 . . . . . . . . . . 5352 1 1441 . 1 1 136 136 LYS CA C 13 52.78 0.1 . . . . . . . . . . 5352 1 1442 . 1 1 136 136 LYS CB C 13 31.58 0.1 . . . . . . . . . . 5352 1 1443 . 1 1 136 136 LYS CG C 13 24.36 0.1 . . . . . . . . . . 5352 1 1444 . 1 1 136 136 LYS CD C 13 28.04 0.1 . . . . . . . . . . 5352 1 1445 . 1 1 136 136 LYS CE C 13 42.44 0.1 . . . . . . . . . . 5352 1 1446 . 1 1 136 136 LYS N N 15 120.60 0.1 . . . . . . . . . . 5352 1 1447 . 1 1 137 137 GLY H H 1 7.13 0.02 . . . . . . . . . . 5352 1 1448 . 1 1 137 137 GLY HA2 H 1 4.28 0.02 . 2 . . . . . . . . 5352 1 1449 . 1 1 137 137 GLY HA3 H 1 3.77 0.02 . 2 . . . . . . . . 5352 1 1450 . 1 1 137 137 GLY C C 13 174.69 0.1 . . . . . . . . . . 5352 1 1451 . 1 1 137 137 GLY CA C 13 43.90 0.1 . . . . . . . . . . 5352 1 1452 . 1 1 137 137 GLY N N 15 108.94 0.1 . . . . . . . . . . 5352 1 1453 . 1 1 138 138 ILE H H 1 8.56 0.02 . . . . . . . . . . 5352 1 1454 . 1 1 138 138 ILE HA H 1 3.99 0.02 . . . . . . . . . . 5352 1 1455 . 1 1 138 138 ILE HB H 1 1.83 0.02 . . . . . . . . . . 5352 1 1456 . 1 1 138 138 ILE HG12 H 1 1.48 0.02 . 2 . . . . . . . . 5352 1 1457 . 1 1 138 138 ILE HG13 H 1 1.31 0.02 . 2 . . . . . . . . 5352 1 1458 . 1 1 138 138 ILE HG21 H 1 0.70 0.02 . . . . . . . . . . 5352 1 1459 . 1 1 138 138 ILE HG22 H 1 0.70 0.02 . . . . . . . . . . 5352 1 1460 . 1 1 138 138 ILE HG23 H 1 0.70 0.02 . . . . . . . . . . 5352 1 1461 . 1 1 138 138 ILE HD11 H 1 0.59 0.02 . . . . . . . . . . 5352 1 1462 . 1 1 138 138 ILE HD12 H 1 0.59 0.02 . . . . . . . . . . 5352 1 1463 . 1 1 138 138 ILE HD13 H 1 0.59 0.02 . . . . . . . . . . 5352 1 1464 . 1 1 138 138 ILE C C 13 177.03 0.1 . . . . . . . . . . 5352 1 1465 . 1 1 138 138 ILE CA C 13 61.36 0.1 . . . . . . . . . . 5352 1 1466 . 1 1 138 138 ILE CB C 13 35.03 0.1 . . . . . . . . . . 5352 1 1467 . 1 1 138 138 ILE CG1 C 13 27.03 0.1 . . . . . . . . . . 5352 1 1468 . 1 1 138 138 ILE CG2 C 13 16.89 0.1 . . . . . . . . . . 5352 1 1469 . 1 1 138 138 ILE CD1 C 13 10.15 0.1 . . . . . . . . . . 5352 1 1470 . 1 1 138 138 ILE N N 15 123.81 0.1 . . . . . . . . . . 5352 1 1471 . 1 1 139 139 ALA H H 1 9.19 0.02 . . . . . . . . . . 5352 1 1472 . 1 1 139 139 ALA HA H 1 4.84 0.02 . . . . . . . . . . 5352 1 1473 . 1 1 139 139 ALA HB1 H 1 1.29 0.02 . . . . . . . . . . 5352 1 1474 . 1 1 139 139 ALA HB2 H 1 1.29 0.02 . . . . . . . . . . 5352 1 1475 . 1 1 139 139 ALA HB3 H 1 1.29 0.02 . . . . . . . . . . 5352 1 1476 . 1 1 139 139 ALA C C 13 175.19 0.1 . . . . . . . . . . 5352 1 1477 . 1 1 139 139 ALA CA C 13 51.83 0.1 . . . . . . . . . . 5352 1 1478 . 1 1 139 139 ALA CB C 13 23.10 0.1 . . . . . . . . . . 5352 1 1479 . 1 1 139 139 ALA N N 15 132.45 0.1 . . . . . . . . . . 5352 1 1480 . 1 1 140 140 THR H H 1 8.27 0.02 . . . . . . . . . . 5352 1 1481 . 1 1 140 140 THR HA H 1 5.54 0.02 . . . . . . . . . . 5352 1 1482 . 1 1 140 140 THR HB H 1 4.06 0.02 . . . . . . . . . . 5352 1 1483 . 1 1 140 140 THR HG21 H 1 1.33 0.02 . . . . . . . . . . 5352 1 1484 . 1 1 140 140 THR HG22 H 1 1.33 0.02 . . . . . . . . . . 5352 1 1485 . 1 1 140 140 THR HG23 H 1 1.33 0.02 . . . . . . . . . . 5352 1 1486 . 1 1 140 140 THR C C 13 174.11 0.1 . . . . . . . . . . 5352 1 1487 . 1 1 140 140 THR CA C 13 61.39 0.1 . . . . . . . . . . 5352 1 1488 . 1 1 140 140 THR CB C 13 70.67 0.1 . . . . . . . . . . 5352 1 1489 . 1 1 140 140 THR CG2 C 13 21.74 0.1 . . . . . . . . . . 5352 1 1490 . 1 1 140 140 THR N N 15 117.44 0.1 . . . . . . . . . . 5352 1 1491 . 1 1 141 141 PHE H H 1 8.83 0.02 . . . . . . . . . . 5352 1 1492 . 1 1 141 141 PHE HA H 1 5.11 0.02 . . . . . . . . . . 5352 1 1493 . 1 1 141 141 PHE HB2 H 1 3.18 0.02 . 2 . . . . . . . . 5352 1 1494 . 1 1 141 141 PHE HB3 H 1 3.08 0.02 . 2 . . . . . . . . 5352 1 1495 . 1 1 141 141 PHE C C 13 172.78 0.1 . . . . . . . . . . 5352 1 1496 . 1 1 141 141 PHE CA C 13 55.43 0.1 . . . . . . . . . . 5352 1 1497 . 1 1 141 141 PHE CB C 13 40.17 0.1 . . . . . . . . . . 5352 1 1498 . 1 1 141 141 PHE N N 15 123.88 0.1 . . . . . . . . . . 5352 1 1499 . 1 1 142 142 LYS H H 1 7.54 0.02 . . . . . . . . . . 5352 1 1500 . 1 1 142 142 LYS HA H 1 4.93 0.02 . . . . . . . . . . 5352 1 1501 . 1 1 142 142 LYS HB2 H 1 1.91 0.02 . 2 . . . . . . . . 5352 1 1502 . 1 1 142 142 LYS HB3 H 1 1.68 0.02 . 2 . . . . . . . . 5352 1 1503 . 1 1 142 142 LYS HG2 H 1 1.57 0.02 . 1 . . . . . . . . 5352 1 1504 . 1 1 142 142 LYS HG3 H 1 1.57 0.02 . 1 . . . . . . . . 5352 1 1505 . 1 1 142 142 LYS HD2 H 1 1.57 0.02 . 2 . . . . . . . . 5352 1 1506 . 1 1 142 142 LYS HE2 H 1 3.05 0.02 . . . . . . . . . . 5352 1 1507 . 1 1 142 142 LYS HE3 H 1 3.05 0.02 . . . . . . . . . . 5352 1 1508 . 1 1 142 142 LYS C C 13 175.07 0.1 . . . . . . . . . . 5352 1 1509 . 1 1 142 142 LYS CA C 13 55.32 0.1 . . . . . . . . . . 5352 1 1510 . 1 1 142 142 LYS CB C 13 36.20 0.1 . . . . . . . . . . 5352 1 1511 . 1 1 142 142 LYS CG C 13 26.10 0.1 . . . . . . . . . . 5352 1 1512 . 1 1 142 142 LYS CD C 13 29.93 0.1 . . . . . . . . . . 5352 1 1513 . 1 1 142 142 LYS CE C 13 42.51 0.1 . . . . . . . . . . 5352 1 1514 . 1 1 142 142 LYS N N 15 118.56 0.1 . . . . . . . . . . 5352 1 1515 . 1 1 143 143 GLN H H 1 8.49 0.02 . . . . . . . . . . 5352 1 1516 . 1 1 143 143 GLN HA H 1 5.86 0.02 . . . . . . . . . . 5352 1 1517 . 1 1 143 143 GLN HB2 H 1 2.45 0.02 . 2 . . . . . . . . 5352 1 1518 . 1 1 143 143 GLN HB3 H 1 1.47 0.02 . 2 . . . . . . . . 5352 1 1519 . 1 1 143 143 GLN HG2 H 1 2.39 0.02 . 2 . . . . . . . . 5352 1 1520 . 1 1 143 143 GLN HG3 H 1 1.99 0.02 . 2 . . . . . . . . 5352 1 1521 . 1 1 143 143 GLN C C 13 175.76 0.1 . . . . . . . . . . 5352 1 1522 . 1 1 143 143 GLN CA C 13 52.97 0.1 . . . . . . . . . . 5352 1 1523 . 1 1 143 143 GLN CB C 13 32.16 0.1 . . . . . . . . . . 5352 1 1524 . 1 1 143 143 GLN CG C 13 34.54 0.1 . . . . . . . . . . 5352 1 1525 . 1 1 143 143 GLN CD C 13 181.35 0.1 . . . . . . . . . . 5352 1 1526 . 1 1 143 143 GLN NE2 N 15 115.50 0.1 . . . . . . . . . . 5352 1 1527 . 1 1 144 144 TYR H H 1 7.73 0.02 . . . . . . . . . . 5352 1 1528 . 1 1 144 144 TYR HA H 1 5.19 0.02 . . . . . . . . . . 5352 1 1529 . 1 1 144 144 TYR HB2 H 1 1.83 0.02 . 2 . . . . . . . . 5352 1 1530 . 1 1 144 144 TYR HB3 H 1 1.20 0.02 . 2 . . . . . . . . 5352 1 1531 . 1 1 144 144 TYR C C 13 173.99 0.1 . . . . . . . . . . 5352 1 1532 . 1 1 144 144 TYR CA C 13 51.76 0.1 . . . . . . . . . . 5352 1 1533 . 1 1 144 144 TYR CB C 13 37.78 0.1 . . . . . . . . . . 5352 1 1534 . 1 1 144 144 TYR N N 15 123.11 0.1 . . . . . . . . . . 5352 1 1535 . 1 1 145 145 TRP H H 1 8.56 0.02 . . . . . . . . . . 5352 1 1536 . 1 1 145 145 TRP HA H 1 5.87 0.02 . . . . . . . . . . 5352 1 1537 . 1 1 145 145 TRP HB2 H 1 3.11 0.02 . 2 . . . . . . . . 5352 1 1538 . 1 1 145 145 TRP HB3 H 1 3.08 0.02 . 2 . . . . . . . . 5352 1 1539 . 1 1 145 145 TRP HD1 H 1 6.73 0.02 . . . . . . . . . . 5352 1 1540 . 1 1 145 145 TRP HE1 H 1 9.65 0.02 . . . . . . . . . . 5352 1 1541 . 1 1 145 145 TRP C C 13 177.55 0.1 . . . . . . . . . . 5352 1 1542 . 1 1 145 145 TRP CA C 13 55.58 0.1 . . . . . . . . . . 5352 1 1543 . 1 1 145 145 TRP CB C 13 33.33 0.1 . . . . . . . . . . 5352 1 1544 . 1 1 145 145 TRP CG C 13 110.34 0.1 . . . . . . . . . . 5352 1 1545 . 1 1 145 145 TRP CD1 C 13 125.22 0.1 . . . . . . . . . . 5352 1 1546 . 1 1 145 145 TRP CE2 C 13 138.23 0.1 . . . . . . . . . . 5352 1 1547 . 1 1 145 145 TRP N N 15 117.04 0.1 . . . . . . . . . . 5352 1 1548 . 1 1 145 145 TRP NE1 N 15 131.88 0.1 . . . . . . . . . . 5352 1 1549 . 1 1 146 146 SER H H 1 9.48 0.02 . . . . . . . . . . 5352 1 1550 . 1 1 146 146 SER HA H 1 5.95 0.02 . . . . . . . . . . 5352 1 1551 . 1 1 146 146 SER HB2 H 1 3.98 0.02 . 1 . . . . . . . . 5352 1 1552 . 1 1 146 146 SER HB3 H 1 3.98 0.02 . 1 . . . . . . . . 5352 1 1553 . 1 1 146 146 SER C C 13 175.35 0.1 . . . . . . . . . . 5352 1 1554 . 1 1 146 146 SER CA C 13 58.24 0.1 . . . . . . . . . . 5352 1 1555 . 1 1 146 146 SER CB C 13 67.18 0.1 . . . . . . . . . . 5352 1 1556 . 1 1 146 146 SER N N 15 119.75 0.1 . . . . . . . . . . 5352 1 1557 . 1 1 147 147 VAL H H 1 10.24 0.02 . . . . . . . . . . 5352 1 1558 . 1 1 147 147 VAL HA H 1 5.12 0.02 . . . . . . . . . . 5352 1 1559 . 1 1 147 147 VAL HB H 1 2.15 0.02 . . . . . . . . . . 5352 1 1560 . 1 1 147 147 VAL HG11 H 1 0.97 0.02 . 2 . . . . . . . . 5352 1 1561 . 1 1 147 147 VAL HG12 H 1 0.97 0.02 . 2 . . . . . . . . 5352 1 1562 . 1 1 147 147 VAL HG13 H 1 0.97 0.02 . 2 . . . . . . . . 5352 1 1563 . 1 1 147 147 VAL HG21 H 1 0.78 0.02 . 2 . . . . . . . . 5352 1 1564 . 1 1 147 147 VAL HG22 H 1 0.78 0.02 . 2 . . . . . . . . 5352 1 1565 . 1 1 147 147 VAL HG23 H 1 0.78 0.02 . 2 . . . . . . . . 5352 1 1566 . 1 1 147 147 VAL C C 13 175.57 0.1 . . . . . . . . . . 5352 1 1567 . 1 1 147 147 VAL CA C 13 61.76 0.1 . . . . . . . . . . 5352 1 1568 . 1 1 147 147 VAL CB C 13 35.15 0.1 . . . . . . . . . . 5352 1 1569 . 1 1 147 147 VAL CG1 C 13 21.07 0.1 . 1 . . . . . . . . 5352 1 1570 . 1 1 147 147 VAL CG2 C 13 21.07 0.1 . 1 . . . . . . . . 5352 1 1571 . 1 1 147 147 VAL N N 15 123.66 0.1 . . . . . . . . . . 5352 1 1572 . 1 1 148 148 ARG H H 1 9.18 0.02 . . . . . . . . . . 5352 1 1573 . 1 1 148 148 ARG HA H 1 3.60 0.02 . . . . . . . . . . 5352 1 1574 . 1 1 148 148 ARG HB2 H 1 2.20 0.02 . 2 . . . . . . . . 5352 1 1575 . 1 1 148 148 ARG HB3 H 1 2.07 0.02 . 2 . . . . . . . . 5352 1 1576 . 1 1 148 148 ARG C C 13 177.45 0.1 . . . . . . . . . . 5352 1 1577 . 1 1 148 148 ARG CA C 13 58.66 0.1 . . . . . . . . . . 5352 1 1578 . 1 1 148 148 ARG CB C 13 30.68 0.1 . . . . . . . . . . 5352 1 1579 . 1 1 148 148 ARG CG C 13 31.90 0.1 . . . . . . . . . . 5352 1 1580 . 1 1 148 148 ARG CD C 13 44.11 0.1 . . . . . . . . . . 5352 1 1581 . 1 1 148 148 ARG N N 15 104.35 0.1 . . . . . . . . . . 5352 1 1582 . 1 1 149 149 ARG H H 1 8.51 0.02 . . . . . . . . . . 5352 1 1583 . 1 1 149 149 ARG HA H 1 4.22 0.02 . . . . . . . . . . 5352 1 1584 . 1 1 149 149 ARG HB2 H 1 1.95 0.02 . 1 . . . . . . . . 5352 1 1585 . 1 1 149 149 ARG HB3 H 1 1.95 0.02 . 1 . . . . . . . . 5352 1 1586 . 1 1 149 149 ARG HG2 H 1 1.76 0.02 . 2 . . . . . . . . 5352 1 1587 . 1 1 149 149 ARG HG3 H 1 1.63 0.02 . 2 . . . . . . . . 5352 1 1588 . 1 1 149 149 ARG HD2 H 1 3.16 0.02 . . . . . . . . . . 5352 1 1589 . 1 1 149 149 ARG HD3 H 1 2.99 0.02 . . . . . . . . . . 5352 1 1590 . 1 1 149 149 ARG C C 13 176.51 0.1 . . . . . . . . . . 5352 1 1591 . 1 1 149 149 ARG CA C 13 58.70 0.1 . . . . . . . . . . 5352 1 1592 . 1 1 149 149 ARG CB C 13 30.70 0.1 . . . . . . . . . . 5352 1 1593 . 1 1 149 149 ARG CG C 13 29.72 0.1 . . . . . . . . . . 5352 1 1594 . 1 1 149 149 ARG CD C 13 43.76 0.1 . . . . . . . . . . 5352 1 1595 . 1 1 149 149 ARG N N 15 120.82 0.1 . . . . . . . . . . 5352 1 1596 . 1 1 150 150 SER H H 1 7.65 0.02 . . . . . . . . . . 5352 1 1597 . 1 1 150 150 SER HA H 1 4.87 0.02 . . . . . . . . . . 5352 1 1598 . 1 1 150 150 SER C C 13 173.24 0.1 . . . . . . . . . . 5352 1 1599 . 1 1 150 150 SER CA C 13 56.55 0.1 . . . . . . . . . . 5352 1 1600 . 1 1 150 150 SER CB C 13 65.18 0.1 . . . . . . . . . . 5352 1 1601 . 1 1 150 150 SER N N 15 111.70 0.1 . . . . . . . . . . 5352 1 1602 . 1 1 151 151 LYS HA H 1 4.48 0.02 . . . . . . . . . . 5352 1 1603 . 1 1 151 151 LYS HB2 H 1 1.78 0.02 . 2 . . . . . . . . 5352 1 1604 . 1 1 151 151 LYS HB3 H 1 1.50 0.02 . 2 . . . . . . . . 5352 1 1605 . 1 1 151 151 LYS HG2 H 1 0.70 0.02 . 2 . . . . . . . . 5352 1 1606 . 1 1 151 151 LYS HG3 H 1 -0.47 0.02 . 2 . . . . . . . . 5352 1 1607 . 1 1 151 151 LYS HE2 H 1 2.54 0.02 . . . . . . . . . . 5352 1 1608 . 1 1 151 151 LYS HE3 H 1 2.54 0.02 . . . . . . . . . . 5352 1 1609 . 1 1 151 151 LYS C C 13 178.10 0.1 . . . . . . . . . . 5352 1 1610 . 1 1 151 151 LYS CA C 13 57.76 0.1 . . . . . . . . . . 5352 1 1611 . 1 1 151 151 LYS CB C 13 34.38 0.1 . . . . . . . . . . 5352 1 1612 . 1 1 151 151 LYS CG C 13 25.59 0.1 . . . . . . . . . . 5352 1 1613 . 1 1 151 151 LYS CD C 13 29.50 0.1 . . . . . . . . . . 5352 1 1614 . 1 1 151 151 LYS CE C 13 42.03 0.1 . . . . . . . . . . 5352 1 1615 . 1 1 152 152 ARG H H 1 9.05 0.02 . . . . . . . . . . 5352 1 1616 . 1 1 152 152 ARG HA H 1 4.79 0.02 . . . . . . . . . . 5352 1 1617 . 1 1 152 152 ARG HB2 H 1 1.92 0.02 . 1 . . . . . . . . 5352 1 1618 . 1 1 152 152 ARG HB3 H 1 1.92 0.02 . 1 . . . . . . . . 5352 1 1619 . 1 1 152 152 ARG HG3 H 1 1.62 0.02 . 2 . . . . . . . . 5352 1 1620 . 1 1 152 152 ARG HD2 H 1 3.72 0.02 . . . . . . . . . . 5352 1 1621 . 1 1 152 152 ARG HD3 H 1 3.01 0.02 . . . . . . . . . . 5352 1 1622 . 1 1 152 152 ARG C C 13 173.48 0.1 . . . . . . . . . . 5352 1 1623 . 1 1 152 152 ARG CA C 13 56.30 0.1 . . . . . . . . . . 5352 1 1624 . 1 1 152 152 ARG CB C 13 34.07 0.1 . . . . . . . . . . 5352 1 1625 . 1 1 152 152 ARG CG C 13 27.27 0.1 . . . . . . . . . . 5352 1 1626 . 1 1 152 152 ARG CD C 13 44.05 0.1 . . . . . . . . . . 5352 1 1627 . 1 1 152 152 ARG N N 15 121.23 0.1 . . . . . . . . . . 5352 1 1628 . 1 1 153 153 THR H H 1 8.50 0.02 . . . . . . . . . . 5352 1 1629 . 1 1 153 153 THR HA H 1 5.12 0.02 . . . . . . . . . . 5352 1 1630 . 1 1 153 153 THR HB H 1 5 0.02 . . . . . . . . . . 5352 1 1631 . 1 1 153 153 THR HG21 H 1 1.37 0.02 . . . . . . . . . . 5352 1 1632 . 1 1 153 153 THR HG22 H 1 1.37 0.02 . . . . . . . . . . 5352 1 1633 . 1 1 153 153 THR HG23 H 1 1.37 0.02 . . . . . . . . . . 5352 1 1634 . 1 1 153 153 THR C C 13 172.89 0.1 . . . . . . . . . . 5352 1 1635 . 1 1 153 153 THR CA C 13 60.65 0.1 . . . . . . . . . . 5352 1 1636 . 1 1 153 153 THR CB C 13 68.99 0.1 . . . . . . . . . . 5352 1 1637 . 1 1 153 153 THR CG2 C 13 22.13 0.1 . . . . . . . . . . 5352 1 1638 . 1 1 153 153 THR N N 15 105.93 0.1 . . . . . . . . . . 5352 1 1639 . 1 1 154 154 SER H H 1 7.17 0.02 . . . . . . . . . . 5352 1 1640 . 1 1 154 154 SER HA H 1 3.99 0.02 . . . . . . . . . . 5352 1 1641 . 1 1 154 154 SER HB2 H 1 3.85 0.02 . 2 . . . . . . . . 5352 1 1642 . 1 1 154 154 SER HB3 H 1 3.69 0.02 . 2 . . . . . . . . 5352 1 1643 . 1 1 154 154 SER C C 13 172.37 0.1 . . . . . . . . . . 5352 1 1644 . 1 1 154 154 SER CA C 13 57.64 0.1 . . . . . . . . . . 5352 1 1645 . 1 1 154 154 SER CB C 13 64.84 0.1 . . . . . . . . . . 5352 1 1646 . 1 1 154 154 SER N N 15 112.13 0.1 . . . . . . . . . . 5352 1 1647 . 1 1 155 155 GLY H H 1 7.72 0.02 . . . . . . . . . . 5352 1 1648 . 1 1 155 155 GLY HA2 H 1 4.48 0.02 . 2 . . . . . . . . 5352 1 1649 . 1 1 155 155 GLY HA3 H 1 3.76 0.02 . 2 . . . . . . . . 5352 1 1650 . 1 1 155 155 GLY C C 13 170.93 0.1 . . . . . . . . . . 5352 1 1651 . 1 1 155 155 GLY CA C 13 44.01 0.1 . . . . . . . . . . 5352 1 1652 . 1 1 155 155 GLY N N 15 105.99 0.1 . . . . . . . . . . 5352 1 1653 . 1 1 156 156 THR H H 1 8.48 0.02 . . . . . . . . . . 5352 1 1654 . 1 1 156 156 THR HA H 1 5.50 0.02 . . . . . . . . . . 5352 1 1655 . 1 1 156 156 THR HB H 1 4.01 0.02 . . . . . . . . . . 5352 1 1656 . 1 1 156 156 THR HG21 H 1 1.14 0.02 . . . . . . . . . . 5352 1 1657 . 1 1 156 156 THR HG22 H 1 1.14 0.02 . . . . . . . . . . 5352 1 1658 . 1 1 156 156 THR HG23 H 1 1.14 0.02 . . . . . . . . . . 5352 1 1659 . 1 1 156 156 THR C C 13 174.41 0.1 . . . . . . . . . . 5352 1 1660 . 1 1 156 156 THR CA C 13 61.52 0.1 . . . . . . . . . . 5352 1 1661 . 1 1 156 156 THR CB C 13 71.55 0.1 . . . . . . . . . . 5352 1 1662 . 1 1 156 156 THR CG2 C 13 21.81 0.1 . . . . . . . . . . 5352 1 1663 . 1 1 156 156 THR N N 15 117.87 0.1 . . . . . . . . . . 5352 1 1664 . 1 1 157 157 ILE H H 1 9.85 0.02 . . . . . . . . . . 5352 1 1665 . 1 1 157 157 ILE HA H 1 4.58 0.02 . . . . . . . . . . 5352 1 1666 . 1 1 157 157 ILE HB H 1 1.58 0.02 . . . . . . . . . . 5352 1 1667 . 1 1 157 157 ILE HG12 H 1 1.03 0.02 . 2 . . . . . . . . 5352 1 1668 . 1 1 157 157 ILE HG13 H 1 0.42 0.02 . 2 . . . . . . . . 5352 1 1669 . 1 1 157 157 ILE HG21 H 1 0.80 0.02 . . . . . . . . . . 5352 1 1670 . 1 1 157 157 ILE HG22 H 1 0.80 0.02 . . . . . . . . . . 5352 1 1671 . 1 1 157 157 ILE HG23 H 1 0.80 0.02 . . . . . . . . . . 5352 1 1672 . 1 1 157 157 ILE HD11 H 1 0.58 0.02 . . . . . . . . . . 5352 1 1673 . 1 1 157 157 ILE HD12 H 1 0.58 0.02 . . . . . . . . . . 5352 1 1674 . 1 1 157 157 ILE HD13 H 1 0.58 0.02 . . . . . . . . . . 5352 1 1675 . 1 1 157 157 ILE C C 13 176.59 0.1 . . . . . . . . . . 5352 1 1676 . 1 1 157 157 ILE CA C 13 60.17 0.1 . . . . . . . . . . 5352 1 1677 . 1 1 157 157 ILE CB C 13 40.42 0.1 . . . . . . . . . . 5352 1 1678 . 1 1 157 157 ILE CG1 C 13 28.14 0.1 . . . . . . . . . . 5352 1 1679 . 1 1 157 157 ILE CG2 C 13 17.10 0.1 . . . . . . . . . . 5352 1 1680 . 1 1 157 157 ILE CD1 C 13 13.88 0.1 . . . . . . . . . . 5352 1 1681 . 1 1 157 157 ILE N N 15 126.47 0.1 . . . . . . . . . . 5352 1 1682 . 1 1 158 158 SER H H 1 11.22 0.02 . . . . . . . . . . 5352 1 1683 . 1 1 158 158 SER HA H 1 4.46 0.02 . . . . . . . . . . 5352 1 1684 . 1 1 158 158 SER HB2 H 1 4.09 0.02 . 2 . . . . . . . . 5352 1 1685 . 1 1 158 158 SER HB3 H 1 3.95 0.02 . 2 . . . . . . . . 5352 1 1686 . 1 1 158 158 SER C C 13 175.13 0.1 . . . . . . . . . . 5352 1 1687 . 1 1 158 158 SER CA C 13 56.96 0.1 . . . . . . . . . . 5352 1 1688 . 1 1 158 158 SER CB C 13 59.42 0.1 . . . . . . . . . . 5352 1 1689 . 1 1 158 158 SER N N 15 131.50 0.1 . . . . . . . . . . 5352 1 1690 . 1 1 159 159 VAL H H 1 7.45 0.02 . . . . . . . . . . 5352 1 1691 . 1 1 159 159 VAL HA H 1 2.77 0.02 . . . . . . . . . . 5352 1 1692 . 1 1 159 159 VAL HB H 1 1.53 0.02 . . . . . . . . . . 5352 1 1693 . 1 1 159 159 VAL HG11 H 1 0.84 0.02 . 2 . . . . . . . . 5352 1 1694 . 1 1 159 159 VAL HG12 H 1 0.84 0.02 . 2 . . . . . . . . 5352 1 1695 . 1 1 159 159 VAL HG13 H 1 0.84 0.02 . 2 . . . . . . . . 5352 1 1696 . 1 1 159 159 VAL HG21 H 1 -0.02 0.02 . 2 . . . . . . . . 5352 1 1697 . 1 1 159 159 VAL HG22 H 1 -0.02 0.02 . 2 . . . . . . . . 5352 1 1698 . 1 1 159 159 VAL HG23 H 1 -0.02 0.02 . 2 . . . . . . . . 5352 1 1699 . 1 1 159 159 VAL C C 13 176.52 0.1 . . . . . . . . . . 5352 1 1700 . 1 1 159 159 VAL CA C 13 66.60 0.1 . . . . . . . . . . 5352 1 1701 . 1 1 159 159 VAL CB C 13 31.93 0.1 . . . . . . . . . . 5352 1 1702 . 1 1 159 159 VAL CG1 C 13 22.46 0.1 . 2 . . . . . . . . 5352 1 1703 . 1 1 159 159 VAL CG2 C 13 21.79 0.1 . 2 . . . . . . . . 5352 1 1704 . 1 1 159 159 VAL N N 15 125.41 0.1 . . . . . . . . . . 5352 1 1705 . 1 1 160 160 SER H H 1 7.50 0.02 . . . . . . . . . . 5352 1 1706 . 1 1 160 160 SER HA H 1 3.93 0.02 . . . . . . . . . . 5352 1 1707 . 1 1 160 160 SER HB2 H 1 3.55 0.02 . 1 . . . . . . . . 5352 1 1708 . 1 1 160 160 SER HB3 H 1 3.55 0.02 . 1 . . . . . . . . 5352 1 1709 . 1 1 160 160 SER C C 13 174.27 0.1 . . . . . . . . . . 5352 1 1710 . 1 1 160 160 SER CA C 13 64.22 0.1 . . . . . . . . . . 5352 1 1711 . 1 1 160 160 SER CB C 13 62.12 0.1 . . . . . . . . . . 5352 1 1712 . 1 1 160 160 SER N N 15 111.18 0.1 . . . . . . . . . . 5352 1 1713 . 1 1 161 161 ASN H H 1 7.43 0.02 . . . . . . . . . . 5352 1 1714 . 1 1 161 161 ASN HA H 1 4.10 0.02 . . . . . . . . . . 5352 1 1715 . 1 1 161 161 ASN HB2 H 1 2.69 0.02 . 2 . . . . . . . . 5352 1 1716 . 1 1 161 161 ASN HB3 H 1 2.37 0.02 . 2 . . . . . . . . 5352 1 1717 . 1 1 161 161 ASN C C 13 178.55 0.1 . . . . . . . . . . 5352 1 1718 . 1 1 161 161 ASN CA C 13 56.64 0.1 . . . . . . . . . . 5352 1 1719 . 1 1 161 161 ASN CB C 13 36.87 0.1 . . . . . . . . . . 5352 1 1720 . 1 1 161 161 ASN CG C 13 175.57 0.1 . . . . . . . . . . 5352 1 1721 . 1 1 161 161 ASN N N 15 118.95 0.1 . . . . . . . . . . 5352 1 1722 . 1 1 162 162 HIS H H 1 6.90 0.02 . . . . . . . . . . 5352 1 1723 . 1 1 162 162 HIS HA H 1 3.32 0.02 . . . . . . . . . . 5352 1 1724 . 1 1 162 162 HIS HB2 H 1 2.46 0.02 . 2 . . . . . . . . 5352 1 1725 . 1 1 162 162 HIS HB3 H 1 1.65 0.02 . 2 . . . . . . . . 5352 1 1726 . 1 1 162 162 HIS HD2 H 1 6.42 0.02 . . . . . . . . . . 5352 1 1727 . 1 1 162 162 HIS HE1 H 1 5.48 0.02 . . . . . . . . . . 5352 1 1728 . 1 1 162 162 HIS C C 13 175.11 0.1 . . . . . . . . . . 5352 1 1729 . 1 1 162 162 HIS CA C 13 60.85 0.1 . . . . . . . . . . 5352 1 1730 . 1 1 162 162 HIS CB C 13 30.07 0.1 . . . . . . . . . . 5352 1 1731 . 1 1 162 162 HIS CG C 13 137.51 0.1 . . . . . . . . . . 5352 1 1732 . 1 1 162 162 HIS CD2 C 13 115.96 0.1 . . . . . . . . . . 5352 1 1733 . 1 1 162 162 HIS CE1 C 13 136.77 0.1 . . . . . . . . . . 5352 1 1734 . 1 1 162 162 HIS N N 15 121 0.1 . . . . . . . . . . 5352 1 1735 . 1 1 162 162 HIS NE2 N 15 169.46 0.1 . . . . . . . . . . 5352 1 1736 . 1 1 163 163 PHE H H 1 6.73 0.02 . . . . . . . . . . 5352 1 1737 . 1 1 163 163 PHE HA H 1 3.86 0.02 . . . . . . . . . . 5352 1 1738 . 1 1 163 163 PHE HB2 H 1 2.37 0.02 . 2 . . . . . . . . 5352 1 1739 . 1 1 163 163 PHE HB3 H 1 1.98 0.02 . 2 . . . . . . . . 5352 1 1740 . 1 1 163 163 PHE C C 13 178.16 0.1 . . . . . . . . . . 5352 1 1741 . 1 1 163 163 PHE CA C 13 56.50 0.1 . . . . . . . . . . 5352 1 1742 . 1 1 163 163 PHE CB C 13 35 0.1 . . . . . . . . . . 5352 1 1743 . 1 1 163 163 PHE N N 15 115.50 0.1 . . . . . . . . . . 5352 1 1744 . 1 1 164 164 ARG H H 1 7.81 0.02 . . . . . . . . . . 5352 1 1745 . 1 1 164 164 ARG HA H 1 4.26 0.02 . . . . . . . . . . 5352 1 1746 . 1 1 164 164 ARG HB2 H 1 1.80 0.02 . 1 . . . . . . . . 5352 1 1747 . 1 1 164 164 ARG HB3 H 1 1.80 0.02 . 1 . . . . . . . . 5352 1 1748 . 1 1 164 164 ARG HG2 H 1 1.93 0.02 . 2 . . . . . . . . 5352 1 1749 . 1 1 164 164 ARG HD2 H 1 3.36 0.02 . . . . . . . . . . 5352 1 1750 . 1 1 164 164 ARG HD3 H 1 3.20 0.02 . . . . . . . . . . 5352 1 1751 . 1 1 164 164 ARG C C 13 178.83 0.1 . . . . . . . . . . 5352 1 1752 . 1 1 164 164 ARG CA C 13 59.24 0.1 . . . . . . . . . . 5352 1 1753 . 1 1 164 164 ARG CB C 13 30.88 0.1 . . . . . . . . . . 5352 1 1754 . 1 1 164 164 ARG CG C 13 28.58 0.1 . . . . . . . . . . 5352 1 1755 . 1 1 164 164 ARG CD C 13 43.58 0.1 . . . . . . . . . . 5352 1 1756 . 1 1 164 164 ARG N N 15 115.29 0.1 . . . . . . . . . . 5352 1 1757 . 1 1 165 165 ALA H H 1 7.43 0.02 . . . . . . . . . . 5352 1 1758 . 1 1 165 165 ALA HA H 1 4.10 0.02 . . . . . . . . . . 5352 1 1759 . 1 1 165 165 ALA HB1 H 1 1.39 0.02 . . . . . . . . . . 5352 1 1760 . 1 1 165 165 ALA HB2 H 1 1.39 0.02 . . . . . . . . . . 5352 1 1761 . 1 1 165 165 ALA HB3 H 1 1.39 0.02 . . . . . . . . . . 5352 1 1762 . 1 1 165 165 ALA C C 13 180.79 0.1 . . . . . . . . . . 5352 1 1763 . 1 1 165 165 ALA CA C 13 55.01 0.1 . . . . . . . . . . 5352 1 1764 . 1 1 165 165 ALA CB C 13 18.50 0.1 . . . . . . . . . . 5352 1 1765 . 1 1 165 165 ALA N N 15 123.13 0.1 . . . . . . . . . . 5352 1 1766 . 1 1 166 166 TRP H H 1 8.58 0.02 . . . . . . . . . . 5352 1 1767 . 1 1 166 166 TRP HA H 1 4.69 0.02 . . . . . . . . . . 5352 1 1768 . 1 1 166 166 TRP HB2 H 1 3.57 0.02 . 2 . . . . . . . . 5352 1 1769 . 1 1 166 166 TRP HB3 H 1 3.16 0.02 . 2 . . . . . . . . 5352 1 1770 . 1 1 166 166 TRP HD1 H 1 6.64 0.02 . . . . . . . . . . 5352 1 1771 . 1 1 166 166 TRP HE1 H 1 9.67 0.02 . . . . . . . . . . 5352 1 1772 . 1 1 166 166 TRP C C 13 180.02 0.1 . . . . . . . . . . 5352 1 1773 . 1 1 166 166 TRP CA C 13 57.82 0.1 . . . . . . . . . . 5352 1 1774 . 1 1 166 166 TRP CB C 13 27.15 0.1 . . . . . . . . . . 5352 1 1775 . 1 1 166 166 TRP CG C 13 112.35 0.1 . . . . . . . . . . 5352 1 1776 . 1 1 166 166 TRP CD1 C 13 122.84 0.1 . . . . . . . . . . 5352 1 1777 . 1 1 166 166 TRP CE2 C 13 139.71 0.1 . . . . . . . . . . 5352 1 1778 . 1 1 166 166 TRP N N 15 120.50 0.1 . . . . . . . . . . 5352 1 1779 . 1 1 166 166 TRP NE1 N 15 125.62 0.1 . . . . . . . . . . 5352 1 1780 . 1 1 167 167 GLU H H 1 8.58 0.02 . . . . . . . . . . 5352 1 1781 . 1 1 167 167 GLU HA H 1 3.78 0.02 . . . . . . . . . . 5352 1 1782 . 1 1 167 167 GLU HB2 H 1 2.31 0.02 . 2 . . . . . . . . 5352 1 1783 . 1 1 167 167 GLU HB3 H 1 2.02 0.02 . 2 . . . . . . . . 5352 1 1784 . 1 1 167 167 GLU HG2 H 1 2.99 0.02 . 2 . . . . . . . . 5352 1 1785 . 1 1 167 167 GLU HG3 H 1 2.47 0.02 . 2 . . . . . . . . 5352 1 1786 . 1 1 167 167 GLU C C 13 181.28 0.1 . . . . . . . . . . 5352 1 1787 . 1 1 167 167 GLU CA C 13 60.85 0.1 . . . . . . . . . . 5352 1 1788 . 1 1 167 167 GLU CB C 13 29.34 0.1 . . . . . . . . . . 5352 1 1789 . 1 1 167 167 GLU CG C 13 38.78 0.1 . . . . . . . . . . 5352 1 1790 . 1 1 167 167 GLU CD C 13 185.27 0.1 . . . . . . . . . . 5352 1 1791 . 1 1 167 167 GLU N N 15 120.23 0.1 . . . . . . . . . . 5352 1 1792 . 1 1 168 168 ASN H H 1 8.32 0.02 . . . . . . . . . . 5352 1 1793 . 1 1 168 168 ASN HA H 1 4.60 0.02 . . . . . . . . . . 5352 1 1794 . 1 1 168 168 ASN HB2 H 1 2.94 0.02 . 1 . . . . . . . . 5352 1 1795 . 1 1 168 168 ASN HB3 H 1 2.94 0.02 . 1 . . . . . . . . 5352 1 1796 . 1 1 168 168 ASN C C 13 176.53 0.1 . . . . . . . . . . 5352 1 1797 . 1 1 168 168 ASN CA C 13 55.68 0.1 . . . . . . . . . . 5352 1 1798 . 1 1 168 168 ASN CB C 13 38.65 0.1 . . . . . . . . . . 5352 1 1799 . 1 1 168 168 ASN CG C 13 176.38 0.1 . . . . . . . . . . 5352 1 1800 . 1 1 168 168 ASN N N 15 119.76 0.1 . . . . . . . . . . 5352 1 1801 . 1 1 169 169 LEU H H 1 7.58 0.02 . . . . . . . . . . 5352 1 1802 . 1 1 169 169 LEU HA H 1 4.48 0.02 . . . . . . . . . . 5352 1 1803 . 1 1 169 169 LEU HB2 H 1 2.05 0.02 . 2 . . . . . . . . 5352 1 1804 . 1 1 169 169 LEU HB3 H 1 1.64 0.02 . 2 . . . . . . . . 5352 1 1805 . 1 1 169 169 LEU HG H 1 1.89 0.02 . . . . . . . . . . 5352 1 1806 . 1 1 169 169 LEU HD11 H 1 0.92 0.02 . 1 . . . . . . . . 5352 1 1807 . 1 1 169 169 LEU HD12 H 1 0.92 0.02 . 1 . . . . . . . . 5352 1 1808 . 1 1 169 169 LEU HD13 H 1 0.92 0.02 . 1 . . . . . . . . 5352 1 1809 . 1 1 169 169 LEU HD21 H 1 0.92 0.02 . 1 . . . . . . . . 5352 1 1810 . 1 1 169 169 LEU HD22 H 1 0.92 0.02 . 1 . . . . . . . . 5352 1 1811 . 1 1 169 169 LEU HD23 H 1 0.92 0.02 . 1 . . . . . . . . 5352 1 1812 . 1 1 169 169 LEU C C 13 177.12 0.1 . . . . . . . . . . 5352 1 1813 . 1 1 169 169 LEU CA C 13 54.62 0.1 . . . . . . . . . . 5352 1 1814 . 1 1 169 169 LEU CB C 13 42.65 0.1 . . . . . . . . . . 5352 1 1815 . 1 1 169 169 LEU CG C 13 26.80 0.1 . . . . . . . . . . 5352 1 1816 . 1 1 169 169 LEU CD1 C 13 26.80 0.1 . . . . . . . . . . 5352 1 1817 . 1 1 169 169 LEU CD2 C 13 22.91 0.1 . . . . . . . . . . 5352 1 1818 . 1 1 169 169 LEU N N 15 119.54 0.1 . . . . . . . . . . 5352 1 1819 . 1 1 170 170 GLY H H 1 7.90 0.02 . . . . . . . . . . 5352 1 1820 . 1 1 170 170 GLY HA2 H 1 4.19 0.02 . 2 . . . . . . . . 5352 1 1821 . 1 1 170 170 GLY HA3 H 1 3.73 0.02 . 2 . . . . . . . . 5352 1 1822 . 1 1 170 170 GLY C C 13 174.01 0.1 . . . . . . . . . . 5352 1 1823 . 1 1 170 170 GLY CA C 13 45.46 0.1 . . . . . . . . . . 5352 1 1824 . 1 1 170 170 GLY N N 15 107.86 0.1 . . . . . . . . . . 5352 1 1825 . 1 1 171 171 MET H H 1 7.80 0.02 . . . . . . . . . . 5352 1 1826 . 1 1 171 171 MET HA H 1 4.08 0.02 . . . . . . . . . . 5352 1 1827 . 1 1 171 171 MET HB2 H 1 1.48 0.02 . 2 . . . . . . . . 5352 1 1828 . 1 1 171 171 MET HB3 H 1 0.35 0.02 . 2 . . . . . . . . 5352 1 1829 . 1 1 171 171 MET HG2 H 1 2.12 0.02 . 2 . . . . . . . . 5352 1 1830 . 1 1 171 171 MET HG3 H 1 1.61 0.02 . 2 . . . . . . . . 5352 1 1831 . 1 1 171 171 MET C C 13 172.62 0.1 . . . . . . . . . . 5352 1 1832 . 1 1 171 171 MET CA C 13 54.16 0.1 . . . . . . . . . . 5352 1 1833 . 1 1 171 171 MET CB C 13 30.72 0.1 . . . . . . . . . . 5352 1 1834 . 1 1 171 171 MET CG C 13 28.63 0.1 . . . . . . . . . . 5352 1 1835 . 1 1 171 171 MET N N 15 123.63 0.1 . . . . . . . . . . 5352 1 1836 . 1 1 172 172 ASN H H 1 7.54 0.02 . . . . . . . . . . 5352 1 1837 . 1 1 172 172 ASN HA H 1 4.55 0.02 . . . . . . . . . . 5352 1 1838 . 1 1 172 172 ASN HB2 H 1 2.75 0.02 . 2 . . . . . . . . 5352 1 1839 . 1 1 172 172 ASN HB3 H 1 2.70 0.02 . 2 . . . . . . . . 5352 1 1840 . 1 1 172 172 ASN C C 13 176.18 0.1 . . . . . . . . . . 5352 1 1841 . 1 1 172 172 ASN CA C 13 54.68 0.1 . . . . . . . . . . 5352 1 1842 . 1 1 172 172 ASN CB C 13 38.70 0.1 . . . . . . . . . . 5352 1 1843 . 1 1 172 172 ASN CG C 13 176.89 0.1 . . . . . . . . . . 5352 1 1844 . 1 1 172 172 ASN N N 15 115.44 0.1 . . . . . . . . . . 5352 1 1845 . 1 1 173 173 MET H H 1 9.18 0.02 . . . . . . . . . . 5352 1 1846 . 1 1 173 173 MET HA H 1 4.60 0.02 . . . . . . . . . . 5352 1 1847 . 1 1 173 173 MET HB2 H 1 2.19 0.02 . 1 . . . . . . . . 5352 1 1848 . 1 1 173 173 MET HB3 H 1 2.19 0.02 . 1 . . . . . . . . 5352 1 1849 . 1 1 173 173 MET HG2 H 1 2.53 0.02 . 1 . . . . . . . . 5352 1 1850 . 1 1 173 173 MET HG3 H 1 2.53 0.02 . 1 . . . . . . . . 5352 1 1851 . 1 1 173 173 MET C C 13 176.32 0.1 . . . . . . . . . . 5352 1 1852 . 1 1 173 173 MET CA C 13 54.90 0.1 . . . . . . . . . . 5352 1 1853 . 1 1 173 173 MET CB C 13 37.21 0.1 . . . . . . . . . . 5352 1 1854 . 1 1 173 173 MET CG C 13 33.16 0.1 . . . . . . . . . . 5352 1 1855 . 1 1 173 173 MET N N 15 122.16 0.1 . . . . . . . . . . 5352 1 1856 . 1 1 174 174 GLY H H 1 7.25 0.02 . . . . . . . . . . 5352 1 1857 . 1 1 174 174 GLY HA2 H 1 4.52 0.02 . 2 . . . . . . . . 5352 1 1858 . 1 1 174 174 GLY HA3 H 1 3.72 0.02 . 2 . . . . . . . . 5352 1 1859 . 1 1 174 174 GLY C C 13 173.39 0.1 . . . . . . . . . . 5352 1 1860 . 1 1 174 174 GLY CA C 13 43.86 0.1 . . . . . . . . . . 5352 1 1861 . 1 1 174 174 GLY N N 15 106.38 0.1 . . . . . . . . . . 5352 1 1862 . 1 1 175 175 LYS H H 1 8.97 0.02 . . . . . . . . . . 5352 1 1863 . 1 1 175 175 LYS HA H 1 4.03 0.02 . . . . . . . . . . 5352 1 1864 . 1 1 175 175 LYS HB2 H 1 1.42 0.02 . 2 . . . . . . . . 5352 1 1865 . 1 1 175 175 LYS HB3 H 1 1.20 0.02 . 2 . . . . . . . . 5352 1 1866 . 1 1 175 175 LYS HD2 H 1 1.58 0.02 . 2 . . . . . . . . 5352 1 1867 . 1 1 175 175 LYS HE2 H 1 3 0.02 . . . . . . . . . . 5352 1 1868 . 1 1 175 175 LYS HE3 H 1 3 0.02 . . . . . . . . . . 5352 1 1869 . 1 1 175 175 LYS C C 13 178.08 0.1 . . . . . . . . . . 5352 1 1870 . 1 1 175 175 LYS CA C 13 55.39 0.1 . . . . . . . . . . 5352 1 1871 . 1 1 175 175 LYS CB C 13 32.03 0.1 . . . . . . . . . . 5352 1 1872 . 1 1 175 175 LYS CG C 13 25.70 0.1 . . . . . . . . . . 5352 1 1873 . 1 1 175 175 LYS CD C 13 28.51 0.1 . . . . . . . . . . 5352 1 1874 . 1 1 175 175 LYS CE C 13 42.32 0.1 . . . . . . . . . . 5352 1 1875 . 1 1 175 175 LYS N N 15 119.72 0.1 . . . . . . . . . . 5352 1 1876 . 1 1 176 176 MET H H 1 9.10 0.02 . . . . . . . . . . 5352 1 1877 . 1 1 176 176 MET HA H 1 4.30 0.02 . . . . . . . . . . 5352 1 1878 . 1 1 176 176 MET HB2 H 1 1.47 0.02 . 1 . . . . . . . . 5352 1 1879 . 1 1 176 176 MET HB3 H 1 1.47 0.02 . 1 . . . . . . . . 5352 1 1880 . 1 1 176 176 MET HG2 H 1 2.33 0.02 . 2 . . . . . . . . 5352 1 1881 . 1 1 176 176 MET HG3 H 1 2.06 0.02 . 2 . . . . . . . . 5352 1 1882 . 1 1 176 176 MET C C 13 177.08 0.1 . . . . . . . . . . 5352 1 1883 . 1 1 176 176 MET CA C 13 55.68 0.1 . . . . . . . . . . 5352 1 1884 . 1 1 176 176 MET CB C 13 30.39 0.1 . . . . . . . . . . 5352 1 1885 . 1 1 176 176 MET CG C 13 31.32 0.1 . . . . . . . . . . 5352 1 1886 . 1 1 176 176 MET N N 15 118.15 0.1 . . . . . . . . . . 5352 1 1887 . 1 1 177 177 TYR H H 1 8.67 0.02 . . . . . . . . . . 5352 1 1888 . 1 1 177 177 TYR HA H 1 4.95 0.02 . . . . . . . . . . 5352 1 1889 . 1 1 177 177 TYR HB2 H 1 2.97 0.02 . 2 . . . . . . . . 5352 1 1890 . 1 1 177 177 TYR HB3 H 1 2.67 0.02 . 2 . . . . . . . . 5352 1 1891 . 1 1 177 177 TYR C C 13 175.23 0.1 . . . . . . . . . . 5352 1 1892 . 1 1 177 177 TYR CA C 13 58.88 0.1 . . . . . . . . . . 5352 1 1893 . 1 1 177 177 TYR CB C 13 41.22 0.1 . . . . . . . . . . 5352 1 1894 . 1 1 177 177 TYR N N 15 120.85 0.1 . . . . . . . . . . 5352 1 1895 . 1 1 178 178 GLU H H 1 8.11 0.02 . . . . . . . . . . 5352 1 1896 . 1 1 178 178 GLU HA H 1 5.59 0.02 . . . . . . . . . . 5352 1 1897 . 1 1 178 178 GLU HB2 H 1 2.16 0.02 . 2 . . . . . . . . 5352 1 1898 . 1 1 178 178 GLU HB3 H 1 1.94 0.02 . 2 . . . . . . . . 5352 1 1899 . 1 1 178 178 GLU HG2 H 1 2.55 0.02 . 2 . . . . . . . . 5352 1 1900 . 1 1 178 178 GLU HG3 H 1 2.23 0.02 . 2 . . . . . . . . 5352 1 1901 . 1 1 178 178 GLU C C 13 175.51 0.1 . . . . . . . . . . 5352 1 1902 . 1 1 178 178 GLU CA C 13 56.63 0.1 . . . . . . . . . . 5352 1 1903 . 1 1 178 178 GLU CB C 13 35.42 0.1 . . . . . . . . . . 5352 1 1904 . 1 1 178 178 GLU CG C 13 35.41 0.1 . . . . . . . . . . 5352 1 1905 . 1 1 178 178 GLU N N 15 117.55 0.1 . . . . . . . . . . 5352 1 1906 . 1 1 179 179 VAL H H 1 8.92 0.02 . . . . . . . . . . 5352 1 1907 . 1 1 179 179 VAL HA H 1 4.85 0.02 . . . . . . . . . . 5352 1 1908 . 1 1 179 179 VAL HB H 1 2.33 0.02 . . . . . . . . . . 5352 1 1909 . 1 1 179 179 VAL HG11 H 1 1.28 0.02 . 1 . . . . . . . . 5352 1 1910 . 1 1 179 179 VAL HG12 H 1 1.28 0.02 . 1 . . . . . . . . 5352 1 1911 . 1 1 179 179 VAL HG13 H 1 1.28 0.02 . 1 . . . . . . . . 5352 1 1912 . 1 1 179 179 VAL HG21 H 1 1.28 0.02 . 1 . . . . . . . . 5352 1 1913 . 1 1 179 179 VAL HG22 H 1 1.28 0.02 . 1 . . . . . . . . 5352 1 1914 . 1 1 179 179 VAL HG23 H 1 1.28 0.02 . 1 . . . . . . . . 5352 1 1915 . 1 1 179 179 VAL C C 13 173.59 0.1 . . . . . . . . . . 5352 1 1916 . 1 1 179 179 VAL CA C 13 62.43 0.1 . . . . . . . . . . 5352 1 1917 . 1 1 179 179 VAL CB C 13 35.76 0.1 . . . . . . . . . . 5352 1 1918 . 1 1 179 179 VAL CG1 C 13 22.26 0.1 . 2 . . . . . . . . 5352 1 1919 . 1 1 179 179 VAL CG2 C 13 20.43 0.1 . 2 . . . . . . . . 5352 1 1920 . 1 1 179 179 VAL N N 15 126.21 0.1 . . . . . . . . . . 5352 1 1921 . 1 1 180 180 ALA H H 1 9.44 0.02 . . . . . . . . . . 5352 1 1922 . 1 1 180 180 ALA HA H 1 4.89 0.02 . . . . . . . . . . 5352 1 1923 . 1 1 180 180 ALA HB1 H 1 1.35 0.02 . . . . . . . . . . 5352 1 1924 . 1 1 180 180 ALA HB2 H 1 1.35 0.02 . . . . . . . . . . 5352 1 1925 . 1 1 180 180 ALA HB3 H 1 1.35 0.02 . . . . . . . . . . 5352 1 1926 . 1 1 180 180 ALA C C 13 176.77 0.1 . . . . . . . . . . 5352 1 1927 . 1 1 180 180 ALA CA C 13 53.10 0.1 . . . . . . . . . . 5352 1 1928 . 1 1 180 180 ALA CB C 13 22.37 0.1 . . . . . . . . . . 5352 1 1929 . 1 1 180 180 ALA N N 15 127.58 0.1 . . . . . . . . . . 5352 1 1930 . 1 1 181 181 LEU H H 1 8.63 0.02 . . . . . . . . . . 5352 1 1931 . 1 1 181 181 LEU HA H 1 4.79 0.02 . . . . . . . . . . 5352 1 1932 . 1 1 181 181 LEU HB2 H 1 2.36 0.02 . 2 . . . . . . . . 5352 1 1933 . 1 1 181 181 LEU HB3 H 1 1.60 0.02 . 2 . . . . . . . . 5352 1 1934 . 1 1 181 181 LEU HD11 H 1 0.72 0.02 . 2 . . . . . . . . 5352 1 1935 . 1 1 181 181 LEU HD12 H 1 0.72 0.02 . 2 . . . . . . . . 5352 1 1936 . 1 1 181 181 LEU HD13 H 1 0.72 0.02 . 2 . . . . . . . . 5352 1 1937 . 1 1 181 181 LEU HD21 H 1 0.54 0.02 . 2 . . . . . . . . 5352 1 1938 . 1 1 181 181 LEU HD22 H 1 0.54 0.02 . 2 . . . . . . . . 5352 1 1939 . 1 1 181 181 LEU HD23 H 1 0.54 0.02 . 2 . . . . . . . . 5352 1 1940 . 1 1 181 181 LEU C C 13 175.84 0.1 . . . . . . . . . . 5352 1 1941 . 1 1 181 181 LEU CA C 13 56.16 0.1 . . . . . . . . . . 5352 1 1942 . 1 1 181 181 LEU CB C 13 41.43 0.1 . . . . . . . . . . 5352 1 1943 . 1 1 181 181 LEU CG C 13 27.79 0.1 . . . . . . . . . . 5352 1 1944 . 1 1 181 181 LEU CD1 C 13 25.82 0.1 . . . . . . . . . . 5352 1 1945 . 1 1 181 181 LEU CD2 C 13 22.82 0.1 . . . . . . . . . . 5352 1 1946 . 1 1 181 181 LEU N N 15 130.17 0.1 . . . . . . . . . . 5352 1 1947 . 1 1 182 182 THR H H 1 9.73 0.02 . . . . . . . . . . 5352 1 1948 . 1 1 182 182 THR HA H 1 5.53 0.02 . . . . . . . . . . 5352 1 1949 . 1 1 182 182 THR HB H 1 4.13 0.02 . . . . . . . . . . 5352 1 1950 . 1 1 182 182 THR HG21 H 1 0.67 0.02 . . . . . . . . . . 5352 1 1951 . 1 1 182 182 THR HG22 H 1 0.67 0.02 . . . . . . . . . . 5352 1 1952 . 1 1 182 182 THR HG23 H 1 0.67 0.02 . . . . . . . . . . 5352 1 1953 . 1 1 182 182 THR C C 13 172.97 0.1 . . . . . . . . . . 5352 1 1954 . 1 1 182 182 THR CA C 13 62.56 0.1 . . . . . . . . . . 5352 1 1955 . 1 1 182 182 THR CB C 13 72.79 0.1 . . . . . . . . . . 5352 1 1956 . 1 1 182 182 THR CG2 C 13 20.07 0.1 . . . . . . . . . . 5352 1 1957 . 1 1 182 182 THR N N 15 124.70 0.1 . . . . . . . . . . 5352 1 1958 . 1 1 183 183 VAL H H 1 9.05 0.02 . . . . . . . . . . 5352 1 1959 . 1 1 183 183 VAL HA H 1 4.98 0.02 . . . . . . . . . . 5352 1 1960 . 1 1 183 183 VAL HB H 1 1.99 0.02 . . . . . . . . . . 5352 1 1961 . 1 1 183 183 VAL HG11 H 1 0.94 0.02 . 2 . . . . . . . . 5352 1 1962 . 1 1 183 183 VAL HG12 H 1 0.94 0.02 . 2 . . . . . . . . 5352 1 1963 . 1 1 183 183 VAL HG13 H 1 0.94 0.02 . 2 . . . . . . . . 5352 1 1964 . 1 1 183 183 VAL HG21 H 1 0.72 0.02 . 2 . . . . . . . . 5352 1 1965 . 1 1 183 183 VAL HG22 H 1 0.72 0.02 . 2 . . . . . . . . 5352 1 1966 . 1 1 183 183 VAL HG23 H 1 0.72 0.02 . 2 . . . . . . . . 5352 1 1967 . 1 1 183 183 VAL C C 13 174.34 0.1 . . . . . . . . . . 5352 1 1968 . 1 1 183 183 VAL CA C 13 60.95 0.1 . . . . . . . . . . 5352 1 1969 . 1 1 183 183 VAL CB C 13 34.88 0.1 . . . . . . . . . . 5352 1 1970 . 1 1 183 183 VAL CG1 C 13 21.37 0.1 . 1 . . . . . . . . 5352 1 1971 . 1 1 183 183 VAL CG2 C 13 21.37 0.1 . 1 . . . . . . . . 5352 1 1972 . 1 1 183 183 VAL N N 15 124.56 0.1 . . . . . . . . . . 5352 1 1973 . 1 1 184 184 GLU H H 1 8.67 0.02 . . . . . . . . . . 5352 1 1974 . 1 1 184 184 GLU HA H 1 5.30 0.02 . . . . . . . . . . 5352 1 1975 . 1 1 184 184 GLU HB2 H 1 1.76 0.02 . 2 . . . . . . . . 5352 1 1976 . 1 1 184 184 GLU HB3 H 1 1.69 0.02 . 2 . . . . . . . . 5352 1 1977 . 1 1 184 184 GLU HG2 H 1 2.42 0.02 . 2 . . . . . . . . 5352 1 1978 . 1 1 184 184 GLU HG3 H 1 1.85 0.02 . 2 . . . . . . . . 5352 1 1979 . 1 1 184 184 GLU C C 13 174.49 0.1 . . . . . . . . . . 5352 1 1980 . 1 1 184 184 GLU CA C 13 52.67 0.1 . . . . . . . . . . 5352 1 1981 . 1 1 184 184 GLU CB C 13 31.76 0.1 . . . . . . . . . . 5352 1 1982 . 1 1 184 184 GLU CG C 13 33.05 0.1 . . . . . . . . . . 5352 1 1983 . 1 1 184 184 GLU CD C 13 178.22 0.1 . . . . . . . . . . 5352 1 1984 . 1 1 184 184 GLU N N 15 127.67 0.1 . . . . . . . . . . 5352 1 1985 . 1 1 185 185 GLY H H 1 8.60 0.02 . . . . . . . . . . 5352 1 1986 . 1 1 185 185 GLY HA2 H 1 4.53 0.02 . 2 . . . . . . . . 5352 1 1987 . 1 1 185 185 GLY HA3 H 1 2.53 0.02 . 2 . . . . . . . . 5352 1 1988 . 1 1 185 185 GLY C C 13 171.69 0.1 . . . . . . . . . . 5352 1 1989 . 1 1 185 185 GLY CA C 13 43.38 0.1 . . . . . . . . . . 5352 1 1990 . 1 1 185 185 GLY N N 15 110.22 0.1 . . . . . . . . . . 5352 1 1991 . 1 1 186 186 TYR H H 1 7.88 0.02 . . . . . . . . . . 5352 1 1992 . 1 1 186 186 TYR HA H 1 5.47 0.02 . . . . . . . . . . 5352 1 1993 . 1 1 186 186 TYR HB2 H 1 2.75 0.02 . 1 . . . . . . . . 5352 1 1994 . 1 1 186 186 TYR HB3 H 1 2.75 0.02 . 1 . . . . . . . . 5352 1 1995 . 1 1 186 186 TYR C C 13 174.33 0.1 . . . . . . . . . . 5352 1 1996 . 1 1 186 186 TYR CA C 13 56.29 0.1 . . . . . . . . . . 5352 1 1997 . 1 1 186 186 TYR CB C 13 41.02 0.1 . . . . . . . . . . 5352 1 1998 . 1 1 186 186 TYR N N 15 123.69 0.1 . . . . . . . . . . 5352 1 1999 . 1 1 187 187 GLN H H 1 9.33 0.02 . . . . . . . . . . 5352 1 2000 . 1 1 187 187 GLN HA H 1 4.53 0.02 . . . . . . . . . . 5352 1 2001 . 1 1 187 187 GLN HB2 H 1 2.06 0.02 . 2 . . . . . . . . 5352 1 2002 . 1 1 187 187 GLN HB3 H 1 1.91 0.02 . 2 . . . . . . . . 5352 1 2003 . 1 1 187 187 GLN HG2 H 1 2.20 0.02 . 2 . . . . . . . . 5352 1 2004 . 1 1 187 187 GLN HG3 H 1 1.79 0.02 . 2 . . . . . . . . 5352 1 2005 . 1 1 187 187 GLN C C 13 176.63 0.1 . . . . . . . . . . 5352 1 2006 . 1 1 187 187 GLN CA C 13 56.32 0.1 . . . . . . . . . . 5352 1 2007 . 1 1 187 187 GLN CB C 13 25.81 0.1 . . . . . . . . . . 5352 1 2008 . 1 1 187 187 GLN CG C 13 34.20 0.1 . . . . . . . . . . 5352 1 2009 . 1 1 187 187 GLN CD C 13 180.96 0.1 . . . . . . . . . . 5352 1 2010 . 1 1 187 187 GLN N N 15 123.12 0.1 . . . . . . . . . . 5352 1 2011 . 1 1 188 188 SER H H 1 7.12 0.02 . . . . . . . . . . 5352 1 2012 . 1 1 188 188 SER HA H 1 5.22 0.02 . . . . . . . . . . 5352 1 2013 . 1 1 188 188 SER HB2 H 1 4.43 0.02 . 2 . . . . . . . . 5352 1 2014 . 1 1 188 188 SER HB3 H 1 4.32 0.02 . 2 . . . . . . . . 5352 1 2015 . 1 1 188 188 SER C C 13 172.39 0.1 . . . . . . . . . . 5352 1 2016 . 1 1 188 188 SER CA C 13 56.91 0.1 . . . . . . . . . . 5352 1 2017 . 1 1 188 188 SER CB C 13 67.48 0.1 . . . . . . . . . . 5352 1 2018 . 1 1 188 188 SER N N 15 108.37 0.1 . . . . . . . . . . 5352 1 2019 . 1 1 189 189 SER H H 1 7.76 0.02 . . . . . . . . . . 5352 1 2020 . 1 1 189 189 SER HA H 1 4.73 0.02 . . . . . . . . . . 5352 1 2021 . 1 1 189 189 SER HB2 H 1 4.12 0.02 . 2 . . . . . . . . 5352 1 2022 . 1 1 189 189 SER HB3 H 1 3.57 0.02 . 2 . . . . . . . . 5352 1 2023 . 1 1 189 189 SER C C 13 171.38 0.1 . . . . . . . . . . 5352 1 2024 . 1 1 189 189 SER CA C 13 56.45 0.1 . . . . . . . . . . 5352 1 2025 . 1 1 189 189 SER CB C 13 66.76 0.1 . . . . . . . . . . 5352 1 2026 . 1 1 189 189 SER N N 15 111.40 0.1 . . . . . . . . . . 5352 1 2027 . 1 1 190 190 GLY H H 1 7.73 0.02 . . . . . . . . . . 5352 1 2028 . 1 1 190 190 GLY HA2 H 1 3.42 0.02 . 2 . . . . . . . . 5352 1 2029 . 1 1 190 190 GLY HA3 H 1 3.09 0.02 . 2 . . . . . . . . 5352 1 2030 . 1 1 190 190 GLY C C 13 169.90 0.1 . . . . . . . . . . 5352 1 2031 . 1 1 190 190 GLY CA C 13 44.97 0.1 . . . . . . . . . . 5352 1 2032 . 1 1 190 190 GLY N N 15 107.04 0.1 . . . . . . . . . . 5352 1 2033 . 1 1 191 191 SER H H 1 6.87 0.02 . . . . . . . . . . 5352 1 2034 . 1 1 191 191 SER HA H 1 4.96 0.02 . . . . . . . . . . 5352 1 2035 . 1 1 191 191 SER HB2 H 1 3.79 0.02 . 1 . . . . . . . . 5352 1 2036 . 1 1 191 191 SER HB3 H 1 3.79 0.02 . 1 . . . . . . . . 5352 1 2037 . 1 1 191 191 SER C C 13 172.74 0.1 . . . . . . . . . . 5352 1 2038 . 1 1 191 191 SER CA C 13 57.13 0.1 . . . . . . . . . . 5352 1 2039 . 1 1 191 191 SER CB C 13 66.38 0.1 . . . . . . . . . . 5352 1 2040 . 1 1 191 191 SER N N 15 110.93 0.1 . . . . . . . . . . 5352 1 2041 . 1 1 192 192 ALA H H 1 9.37 0.02 . . . . . . . . . . 5352 1 2042 . 1 1 192 192 ALA HA H 1 5.39 0.02 . . . . . . . . . . 5352 1 2043 . 1 1 192 192 ALA HB1 H 1 1.70 0.02 . . . . . . . . . . 5352 1 2044 . 1 1 192 192 ALA HB2 H 1 1.70 0.02 . . . . . . . . . . 5352 1 2045 . 1 1 192 192 ALA HB3 H 1 1.70 0.02 . . . . . . . . . . 5352 1 2046 . 1 1 192 192 ALA C C 13 175.16 0.1 . . . . . . . . . . 5352 1 2047 . 1 1 192 192 ALA CA C 13 51.70 0.1 . . . . . . . . . . 5352 1 2048 . 1 1 192 192 ALA CB C 13 23.53 0.1 . . . . . . . . . . 5352 1 2049 . 1 1 192 192 ALA N N 15 121.09 0.1 . . . . . . . . . . 5352 1 2050 . 1 1 193 193 ASN H H 1 9.17 0.02 . . . . . . . . . . 5352 1 2051 . 1 1 193 193 ASN HA H 1 5.04 0.02 . . . . . . . . . . 5352 1 2052 . 1 1 193 193 ASN HB2 H 1 3.14 0.02 . 2 . . . . . . . . 5352 1 2053 . 1 1 193 193 ASN HB3 H 1 2.97 0.02 . 2 . . . . . . . . 5352 1 2054 . 1 1 193 193 ASN C C 13 174.61 0.1 . . . . . . . . . . 5352 1 2055 . 1 1 193 193 ASN CA C 13 52.89 0.1 . . . . . . . . . . 5352 1 2056 . 1 1 193 193 ASN CB C 13 40.07 0.1 . . . . . . . . . . 5352 1 2057 . 1 1 193 193 ASN CG C 13 176.23 0.1 . . . . . . . . . . 5352 1 2058 . 1 1 193 193 ASN N N 15 120.77 0.1 . . . . . . . . . . 5352 1 2059 . 1 1 194 194 VAL H H 1 8.95 0.02 . . . . . . . . . . 5352 1 2060 . 1 1 194 194 VAL HA H 1 4.03 0.02 . . . . . . . . . . 5352 1 2061 . 1 1 194 194 VAL HB H 1 1.45 0.02 . . . . . . . . . . 5352 1 2062 . 1 1 194 194 VAL HG11 H 1 0.70 0.02 . 2 . . . . . . . . 5352 1 2063 . 1 1 194 194 VAL HG12 H 1 0.70 0.02 . 2 . . . . . . . . 5352 1 2064 . 1 1 194 194 VAL HG13 H 1 0.70 0.02 . 2 . . . . . . . . 5352 1 2065 . 1 1 194 194 VAL HG21 H 1 0.19 0.02 . 2 . . . . . . . . 5352 1 2066 . 1 1 194 194 VAL HG22 H 1 0.19 0.02 . 2 . . . . . . . . 5352 1 2067 . 1 1 194 194 VAL HG23 H 1 0.19 0.02 . 2 . . . . . . . . 5352 1 2068 . 1 1 194 194 VAL C C 13 173.86 0.1 . . . . . . . . . . 5352 1 2069 . 1 1 194 194 VAL CA C 13 62.40 0.1 . . . . . . . . . . 5352 1 2070 . 1 1 194 194 VAL CB C 13 29.78 0.1 . . . . . . . . . . 5352 1 2071 . 1 1 194 194 VAL CG1 C 13 22.41 0.1 . 2 . . . . . . . . 5352 1 2072 . 1 1 194 194 VAL CG2 C 13 19.70 0.1 . 2 . . . . . . . . 5352 1 2073 . 1 1 194 194 VAL N N 15 128.79 0.1 . . . . . . . . . . 5352 1 2074 . 1 1 195 195 TYR H H 1 7.11 0.02 . . . . . . . . . . 5352 1 2075 . 1 1 195 195 TYR HA H 1 4.60 0.02 . . . . . . . . . . 5352 1 2076 . 1 1 195 195 TYR HB2 H 1 3.38 0.02 . 2 . . . . . . . . 5352 1 2077 . 1 1 195 195 TYR HB3 H 1 2.65 0.02 . 2 . . . . . . . . 5352 1 2078 . 1 1 195 195 TYR C C 13 175.59 0.1 . . . . . . . . . . 5352 1 2079 . 1 1 195 195 TYR CA C 13 56.84 0.1 . . . . . . . . . . 5352 1 2080 . 1 1 195 195 TYR CB C 13 37.71 0.1 . . . . . . . . . . 5352 1 2081 . 1 1 195 195 TYR N N 15 123.54 0.1 . . . . . . . . . . 5352 1 2082 . 1 1 196 196 SER H H 1 7.65 0.02 . . . . . . . . . . 5352 1 2083 . 1 1 196 196 SER HA H 1 4.50 0.02 . . . . . . . . . . 5352 1 2084 . 1 1 196 196 SER HB2 H 1 3.81 0.02 . 2 . . . . . . . . 5352 1 2085 . 1 1 196 196 SER HB3 H 1 3.29 0.02 . 2 . . . . . . . . 5352 1 2086 . 1 1 196 196 SER C C 13 173.47 0.1 . . . . . . . . . . 5352 1 2087 . 1 1 196 196 SER CA C 13 57.20 0.1 . . . . . . . . . . 5352 1 2088 . 1 1 196 196 SER CB C 13 63.70 0.1 . . . . . . . . . . 5352 1 2089 . 1 1 196 196 SER N N 15 119.23 0.1 . . . . . . . . . . 5352 1 2090 . 1 1 197 197 ASN H H 1 8.85 0.02 . . . . . . . . . . 5352 1 2091 . 1 1 197 197 ASN HA H 1 5.02 0.02 . . . . . . . . . . 5352 1 2092 . 1 1 197 197 ASN HB2 H 1 2.88 0.02 . 2 . . . . . . . . 5352 1 2093 . 1 1 197 197 ASN HB3 H 1 2.02 0.02 . 2 . . . . . . . . 5352 1 2094 . 1 1 197 197 ASN C C 13 173.35 0.1 . . . . . . . . . . 5352 1 2095 . 1 1 197 197 ASN CA C 13 54.57 0.1 . . . . . . . . . . 5352 1 2096 . 1 1 197 197 ASN CB C 13 38.83 0.1 . . . . . . . . . . 5352 1 2097 . 1 1 197 197 ASN CG C 13 175.42 0.1 . . . . . . . . . . 5352 1 2098 . 1 1 197 197 ASN N N 15 125.94 0.1 . . . . . . . . . . 5352 1 2099 . 1 1 198 198 THR H H 1 9.26 0.02 . . . . . . . . . . 5352 1 2100 . 1 1 198 198 THR HA H 1 5.08 0.02 . . . . . . . . . . 5352 1 2101 . 1 1 198 198 THR HB H 1 4.08 0.02 . . . . . . . . . . 5352 1 2102 . 1 1 198 198 THR HG21 H 1 1.33 0.02 . . . . . . . . . . 5352 1 2103 . 1 1 198 198 THR HG22 H 1 1.33 0.02 . . . . . . . . . . 5352 1 2104 . 1 1 198 198 THR HG23 H 1 1.33 0.02 . . . . . . . . . . 5352 1 2105 . 1 1 198 198 THR C C 13 173.52 0.1 . . . . . . . . . . 5352 1 2106 . 1 1 198 198 THR CA C 13 61.63 0.1 . . . . . . . . . . 5352 1 2107 . 1 1 198 198 THR CB C 13 71.29 0.1 . . . . . . . . . . 5352 1 2108 . 1 1 198 198 THR CG2 C 13 21.47 0.1 . . . . . . . . . . 5352 1 2109 . 1 1 198 198 THR N N 15 122.56 0.1 . . . . . . . . . . 5352 1 2110 . 1 1 199 199 LEU H H 1 8.80 0.02 . . . . . . . . . . 5352 1 2111 . 1 1 199 199 LEU HA H 1 5.06 0.02 . . . . . . . . . . 5352 1 2112 . 1 1 199 199 LEU HB2 H 1 1.93 0.02 . 2 . . . . . . . . 5352 1 2113 . 1 1 199 199 LEU HB3 H 1 1.87 0.02 . 2 . . . . . . . . 5352 1 2114 . 1 1 199 199 LEU HG H 1 1.52 0.02 . . . . . . . . . . 5352 1 2115 . 1 1 199 199 LEU HD11 H 1 0.95 0.02 . 1 . . . . . . . . 5352 1 2116 . 1 1 199 199 LEU HD12 H 1 0.95 0.02 . 1 . . . . . . . . 5352 1 2117 . 1 1 199 199 LEU HD13 H 1 0.95 0.02 . 1 . . . . . . . . 5352 1 2118 . 1 1 199 199 LEU HD21 H 1 0.95 0.02 . 1 . . . . . . . . 5352 1 2119 . 1 1 199 199 LEU HD22 H 1 0.95 0.02 . 1 . . . . . . . . 5352 1 2120 . 1 1 199 199 LEU HD23 H 1 0.95 0.02 . 1 . . . . . . . . 5352 1 2121 . 1 1 199 199 LEU C C 13 174.14 0.1 . . . . . . . . . . 5352 1 2122 . 1 1 199 199 LEU CA C 13 54.43 0.1 . . . . . . . . . . 5352 1 2123 . 1 1 199 199 LEU CB C 13 42.86 0.1 . . . . . . . . . . 5352 1 2124 . 1 1 199 199 LEU CG C 13 27.90 0.1 . . . . . . . . . . 5352 1 2125 . 1 1 199 199 LEU CD1 C 13 27.53 0.1 . . . . . . . . . . 5352 1 2126 . 1 1 199 199 LEU CD2 C 13 23.30 0.1 . . . . . . . . . . 5352 1 2127 . 1 1 199 199 LEU N N 15 132.10 0.1 . . . . . . . . . . 5352 1 2128 . 1 1 200 200 ARG H H 1 9.23 0.02 . . . . . . . . . . 5352 1 2129 . 1 1 200 200 ARG HA H 1 4.93 0.02 . . . . . . . . . . 5352 1 2130 . 1 1 200 200 ARG HB2 H 1 1.68 0.02 . 2 . . . . . . . . 5352 1 2131 . 1 1 200 200 ARG HB3 H 1 1.13 0.02 . 2 . . . . . . . . 5352 1 2132 . 1 1 200 200 ARG HG3 H 1 1.01 0.02 . 2 . . . . . . . . 5352 1 2133 . 1 1 200 200 ARG HD2 H 1 3.12 0.02 . . . . . . . . . . 5352 1 2134 . 1 1 200 200 ARG HD3 H 1 2.97 0.02 . . . . . . . . . . 5352 1 2135 . 1 1 200 200 ARG C C 13 175.54 0.1 . . . . . . . . . . 5352 1 2136 . 1 1 200 200 ARG CA C 13 54.60 0.1 . . . . . . . . . . 5352 1 2137 . 1 1 200 200 ARG CB C 13 33.40 0.1 . . . . . . . . . . 5352 1 2138 . 1 1 200 200 ARG CG C 13 29.34 0.1 . . . . . . . . . . 5352 1 2139 . 1 1 200 200 ARG CD C 13 43.45 0.1 . . . . . . . . . . 5352 1 2140 . 1 1 200 200 ARG N N 15 124.81 0.1 . . . . . . . . . . 5352 1 2141 . 1 1 201 201 ILE H H 1 8.16 0.02 . . . . . . . . . . 5352 1 2142 . 1 1 201 201 ILE HA H 1 4.70 0.02 . . . . . . . . . . 5352 1 2143 . 1 1 201 201 ILE HB H 1 1.82 0.02 . . . . . . . . . . 5352 1 2144 . 1 1 201 201 ILE HG12 H 1 1.57 0.02 . 2 . . . . . . . . 5352 1 2145 . 1 1 201 201 ILE HG21 H 1 0.95 0.02 . . . . . . . . . . 5352 1 2146 . 1 1 201 201 ILE HG22 H 1 0.95 0.02 . . . . . . . . . . 5352 1 2147 . 1 1 201 201 ILE HG23 H 1 0.95 0.02 . . . . . . . . . . 5352 1 2148 . 1 1 201 201 ILE HD11 H 1 0.82 0.02 . . . . . . . . . . 5352 1 2149 . 1 1 201 201 ILE HD12 H 1 0.82 0.02 . . . . . . . . . . 5352 1 2150 . 1 1 201 201 ILE HD13 H 1 0.82 0.02 . . . . . . . . . . 5352 1 2151 . 1 1 201 201 ILE C C 13 177.41 0.1 . . . . . . . . . . 5352 1 2152 . 1 1 201 201 ILE CA C 13 60.47 0.1 . . . . . . . . . . 5352 1 2153 . 1 1 201 201 ILE CB C 13 39.32 0.1 . . . . . . . . . . 5352 1 2154 . 1 1 201 201 ILE CG1 C 13 27.87 0.1 . . . . . . . . . . 5352 1 2155 . 1 1 201 201 ILE CG2 C 13 18.38 0.1 . . . . . . . . . . 5352 1 2156 . 1 1 201 201 ILE CD1 C 13 13.20 0.1 . . . . . . . . . . 5352 1 2157 . 1 1 201 201 ILE N N 15 121.01 0.1 . . . . . . . . . . 5352 1 2158 . 1 1 202 202 ASN H H 1 10.19 0.02 . . . . . . . . . . 5352 1 2159 . 1 1 202 202 ASN HA H 1 4.57 0.02 . . . . . . . . . . 5352 1 2160 . 1 1 202 202 ASN HB2 H 1 3.17 0.02 . 2 . . . . . . . . 5352 1 2161 . 1 1 202 202 ASN HB3 H 1 3.12 0.02 . 2 . . . . . . . . 5352 1 2162 . 1 1 202 202 ASN C C 13 175.25 0.1 . . . . . . . . . . 5352 1 2163 . 1 1 202 202 ASN CA C 13 54.60 0.1 . . . . . . . . . . 5352 1 2164 . 1 1 202 202 ASN CB C 13 37.29 0.1 . . . . . . . . . . 5352 1 2165 . 1 1 202 202 ASN CG C 13 178.32 0.1 . . . . . . . . . . 5352 1 2166 . 1 1 202 202 ASN N N 15 127.53 0.1 . . . . . . . . . . 5352 1 2167 . 1 1 203 203 GLY H H 1 8.88 0.02 . . . . . . . . . . 5352 1 2168 . 1 1 203 203 GLY HA2 H 1 4.32 0.02 . 2 . . . . . . . . 5352 1 2169 . 1 1 203 203 GLY HA3 H 1 3.55 0.02 . 2 . . . . . . . . 5352 1 2170 . 1 1 203 203 GLY C C 13 173.58 0.1 . . . . . . . . . . 5352 1 2171 . 1 1 203 203 GLY CA C 13 45.28 0.1 . . . . . . . . . . 5352 1 2172 . 1 1 203 203 GLY N N 15 102.16 0.1 . . . . . . . . . . 5352 1 2173 . 1 1 204 204 ASN H H 1 7.85 0.02 . . . . . . . . . . 5352 1 2174 . 1 1 204 204 ASN HA H 1 5.41 0.02 . . . . . . . . . . 5352 1 2175 . 1 1 204 204 ASN HB2 H 1 2.93 0.02 . 2 . . . . . . . . 5352 1 2176 . 1 1 204 204 ASN HB3 H 1 2.85 0.02 . 2 . . . . . . . . 5352 1 2177 . 1 1 204 204 ASN C C 13 173.40 0.1 . . . . . . . . . . 5352 1 2178 . 1 1 204 204 ASN CA C 13 50.42 0.1 . . . . . . . . . . 5352 1 2179 . 1 1 204 204 ASN CB C 13 39.64 0.1 . . . . . . . . . . 5352 1 2180 . 1 1 204 204 ASN CG C 13 176.32 0.1 . . . . . . . . . . 5352 1 2181 . 1 1 204 204 ASN N N 15 120.70 0.1 . . . . . . . . . . 5352 1 2182 . 1 1 205 205 PRO HA H 1 4.96 0.02 . . . . . . . . . . 5352 1 2183 . 1 1 205 205 PRO HB2 H 1 2.19 0.02 . 1 . . . . . . . . 5352 1 2184 . 1 1 205 205 PRO HB3 H 1 2.19 0.02 . 1 . . . . . . . . 5352 1 2185 . 1 1 205 205 PRO HG3 H 1 1.97 0.02 . 2 . . . . . . . . 5352 1 2186 . 1 1 205 205 PRO HD2 H 1 4.12 0.02 . 2 . . . . . . . . 5352 1 2187 . 1 1 205 205 PRO HD3 H 1 3.95 0.02 . 2 . . . . . . . . 5352 1 2188 . 1 1 205 205 PRO C C 13 176.92 0.1 . . . . . . . . . . 5352 1 2189 . 1 1 205 205 PRO CA C 13 62.50 0.1 . . . . . . . . . . 5352 1 2190 . 1 1 205 205 PRO CB C 13 32.50 0.1 . . . . . . . . . . 5352 1 2191 . 1 1 205 205 PRO CG C 13 27.30 0.1 . . . . . . . . . . 5352 1 2192 . 1 1 205 205 PRO CD C 13 51.38 0.1 . . . . . . . . . . 5352 1 2193 . 1 1 206 206 LEU H H 1 8.11 0.02 . . . . . . . . . . 5352 1 2194 . 1 1 206 206 LEU HA H 1 4.15 0.02 . . . . . . . . . . 5352 1 2195 . 1 1 206 206 LEU HB2 H 1 1.44 0.02 . 2 . . . . . . . . 5352 1 2196 . 1 1 206 206 LEU HB3 H 1 1.32 0.02 . 2 . . . . . . . . 5352 1 2197 . 1 1 206 206 LEU HD11 H 1 0.61 0.02 . 2 . . . . . . . . 5352 1 2198 . 1 1 206 206 LEU HD12 H 1 0.61 0.02 . 2 . . . . . . . . 5352 1 2199 . 1 1 206 206 LEU HD13 H 1 0.61 0.02 . 2 . . . . . . . . 5352 1 2200 . 1 1 206 206 LEU HD21 H 1 0.39 0.02 . 2 . . . . . . . . 5352 1 2201 . 1 1 206 206 LEU HD22 H 1 0.39 0.02 . 2 . . . . . . . . 5352 1 2202 . 1 1 206 206 LEU HD23 H 1 0.39 0.02 . 2 . . . . . . . . 5352 1 2203 . 1 1 206 206 LEU C C 13 176.85 0.1 . . . . . . . . . . 5352 1 2204 . 1 1 206 206 LEU CA C 13 56.77 0.1 . . . . . . . . . . 5352 1 2205 . 1 1 206 206 LEU CB C 13 42.22 0.1 . . . . . . . . . . 5352 1 2206 . 1 1 206 206 LEU CG C 13 26.80 0.1 . . . . . . . . . . 5352 1 2207 . 1 1 206 206 LEU CD1 C 13 26.83 0.1 . . . . . . . . . . 5352 1 2208 . 1 1 206 206 LEU CD2 C 13 24.48 0.1 . . . . . . . . . . 5352 1 2209 . 1 1 206 206 LEU N N 15 122.84 0.1 . . . . . . . . . . 5352 1 2210 . 1 1 207 207 SER H H 1 7.83 0.02 . . . . . . . . . . 5352 1 2211 . 1 1 207 207 SER HA H 1 4.34 0.02 . . . . . . . . . . 5352 1 2212 . 1 1 207 207 SER C C 13 177.69 0.1 . . . . . . . . . . 5352 1 2213 . 1 1 207 207 SER CA C 13 59.65 0.1 . . . . . . . . . . 5352 1 2214 . 1 1 207 207 SER CB C 13 65.51 0.1 . . . . . . . . . . 5352 1 2215 . 1 1 207 207 SER N N 15 121.53 0.1 . . . . . . . . . . 5352 1 stop_ save_