data_18011 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18011 _Entry.Title ; NMR assignments for TB24 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-10-19 _Entry.Accession_date 2011-10-19 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 James Ames . . . 18011 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18011 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 817 18011 '15N chemical shifts' 201 18011 '1H chemical shifts' 1262 18011 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2013-03-25 2011-10-19 update BMRB 'update entry citation' 18011 1 . . 2012-03-27 2011-10-19 original author 'original release' 18011 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2LVV 'BMRB Entry Tracking System' 18011 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 18011 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 22382573 _Citation.Full_citation . _Citation.Title '(1)H, (15)N, and (13)C chemical shift assignments of the calflagin Tb24 flagellar calcium binding protein of Trypanosoma brucei.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full 'Biomolecular NMR assignments' _Citation.Journal_volume 7 _Citation.Journal_issue 1 _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 9 _Citation.Page_last 12 _Citation.Year 2013 _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 Xianzhong Xu . . . 18011 1 2 Cheryl Olson . L. . 18011 1 3 David Engman . M. . 18011 1 4 James Ames . B. . 18011 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18011 _Assembly.ID 1 _Assembly.Name Tb24 _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 . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 Tb24 1 $Tb24 A . yes native no no . . . 18011 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Tb24 _Entity.Sf_category entity _Entity.Sf_framecode Tb24 _Entity.Entry_ID 18011 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Tb24 _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 ; MGCSGSKDTTNSKDGAASKG GKDGKTTADRKVAWERIRCA IPRDKDAESKSRRIELFKQF DTNGTGKLGFREVLDGCYGI LKLDEFTTHLPDIVQRAFDK AKDLGNKVKGVGEEDLVEFL EFRLMLCYIYDIFELTVMFD TMDKDGSLLLELQEFKEALP KLKEWGVDITDATTVFNEID TNGSGVVTFDEFSCWAVTKK LQVCGDPDGEENGANEGN ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 'The sequence numbering is same as above and not altered.' _Entity.Polymer_author_seq_details 'The first three residues from N-terminus are disordered and the assignments begin at residue 4 (Ser 4) and end at residue 218 (N218).' _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 218 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2LVV . "Nmr Structure Of Tb24" . . . . . 100.00 226 100.00 100.00 2.82e-155 . . . . 18011 1 2 no EMBL CBH13602 . "flagellar calcium-binding protein TB-24,putative [Trypanosoma brucei gambiense DAL972]" . . . . . 100.00 218 99.54 99.54 2.11e-154 . . . . 18011 1 3 no EMBL CBH13605 . "flagellar calcium-binding protein Tb-17 [Trypanosoma brucei gambiense DAL972]" . . . . . 100.00 233 97.25 98.62 1.39e-150 . . . . 18011 1 4 no GB AAA75582 . "EF-hand calcium-binding protein, partial [Trypanosoma brucei]" . . . . . 98.17 229 97.20 98.60 3.68e-147 . . . . 18011 1 5 no GB AAA75583 . "calflagin [Trypanosoma brucei]" . . . . . 89.45 407 97.95 97.95 7.62e-131 . . . . 18011 1 6 no GB AAB40004 . "calflagin [Trypanosoma brucei]" . . . . . 100.00 218 99.54 99.54 2.11e-154 . . . . 18011 1 7 no GB AAX70701 . "flagellar calcium-binding protein TB-44A [Trypanosoma brucei]" . . . . . 89.45 407 97.95 98.97 1.37e-132 . . . . 18011 1 8 no GB AAX70703 . "flagellar calcium-binding protein TB-24 [Trypanosoma brucei]" . . . . . 100.00 218 98.62 99.54 1.72e-153 . . . . 18011 1 9 no REF XP_011775879 . "flagellar calcium-binding protein TB-24,putative [Trypanosoma brucei gambiense DAL972]" . . . . . 100.00 218 99.54 99.54 2.11e-154 . . . . 18011 1 10 no REF XP_011775881 . "flagellar calcium-binding protein Tb-17 [Trypanosoma brucei gambiense DAL972]" . . . . . 100.00 233 97.25 98.62 1.39e-150 . . . . 18011 1 11 no REF XP_847374 . "flagellar calcium-binding protein TB-24 [Trypanosoma brucei brucei TREU927]" . . . . . 100.00 218 98.62 99.54 1.72e-153 . . . . 18011 1 12 no REF XP_847376 . "flagellar calcium-binding protein TB-44A [Trypanosoma brucei brucei TREU927]" . . . . . 89.45 407 97.95 98.97 1.37e-132 . . . . 18011 1 13 no SP Q26677 . "RecName: Full=Flagellar calcium-binding protein TB-1.7G; AltName: Full=17 kDa calcimedin; AltName: Full=17 kDa calflagin" . . . . . 98.17 229 97.20 98.60 3.68e-147 . . . . 18011 1 14 no SP Q26678 . "RecName: Full=Flagellar calcium-binding protein TB-44A; AltName: Full=44 kDa calcimedin; AltName: Full=44 kDa calflagin" . . . . . 89.45 407 97.95 97.95 7.62e-131 . . . . 18011 1 15 no SP Q26680 . "RecName: Full=Flagellar calcium-binding protein TB-24; AltName: Full=24 kDa calcimedin; AltName: Full=24 kDa calflagin" . . . . . 100.00 218 99.54 99.54 2.11e-154 . . . . 18011 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Tb24 is a calcium sensor in T. brucei.' 18011 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 . 18011 1 2 . GLY . 18011 1 3 . CYS . 18011 1 4 . SER . 18011 1 5 . GLY . 18011 1 6 . SER . 18011 1 7 . LYS . 18011 1 8 . ASP . 18011 1 9 . THR . 18011 1 10 . THR . 18011 1 11 . ASN . 18011 1 12 . SER . 18011 1 13 . LYS . 18011 1 14 . ASP . 18011 1 15 . GLY . 18011 1 16 . ALA . 18011 1 17 . ALA . 18011 1 18 . SER . 18011 1 19 . LYS . 18011 1 20 . GLY . 18011 1 21 . GLY . 18011 1 22 . LYS . 18011 1 23 . ASP . 18011 1 24 . GLY . 18011 1 25 . LYS . 18011 1 26 . THR . 18011 1 27 . THR . 18011 1 28 . ALA . 18011 1 29 . ASP . 18011 1 30 . ARG . 18011 1 31 . LYS . 18011 1 32 . VAL . 18011 1 33 . ALA . 18011 1 34 . TRP . 18011 1 35 . GLU . 18011 1 36 . ARG . 18011 1 37 . ILE . 18011 1 38 . ARG . 18011 1 39 . CYS . 18011 1 40 . ALA . 18011 1 41 . ILE . 18011 1 42 . PRO . 18011 1 43 . ARG . 18011 1 44 . ASP . 18011 1 45 . LYS . 18011 1 46 . ASP . 18011 1 47 . ALA . 18011 1 48 . GLU . 18011 1 49 . SER . 18011 1 50 . LYS . 18011 1 51 . SER . 18011 1 52 . ARG . 18011 1 53 . ARG . 18011 1 54 . ILE . 18011 1 55 . GLU . 18011 1 56 . LEU . 18011 1 57 . PHE . 18011 1 58 . LYS . 18011 1 59 . GLN . 18011 1 60 . PHE . 18011 1 61 . ASP . 18011 1 62 . THR . 18011 1 63 . ASN . 18011 1 64 . GLY . 18011 1 65 . THR . 18011 1 66 . GLY . 18011 1 67 . LYS . 18011 1 68 . LEU . 18011 1 69 . GLY . 18011 1 70 . PHE . 18011 1 71 . ARG . 18011 1 72 . GLU . 18011 1 73 . VAL . 18011 1 74 . LEU . 18011 1 75 . ASP . 18011 1 76 . GLY . 18011 1 77 . CYS . 18011 1 78 . TYR . 18011 1 79 . GLY . 18011 1 80 . ILE . 18011 1 81 . LEU . 18011 1 82 . LYS . 18011 1 83 . LEU . 18011 1 84 . ASP . 18011 1 85 . GLU . 18011 1 86 . PHE . 18011 1 87 . THR . 18011 1 88 . THR . 18011 1 89 . HIS . 18011 1 90 . LEU . 18011 1 91 . PRO . 18011 1 92 . ASP . 18011 1 93 . ILE . 18011 1 94 . VAL . 18011 1 95 . GLN . 18011 1 96 . ARG . 18011 1 97 . ALA . 18011 1 98 . PHE . 18011 1 99 . ASP . 18011 1 100 . LYS . 18011 1 101 . ALA . 18011 1 102 . LYS . 18011 1 103 . ASP . 18011 1 104 . LEU . 18011 1 105 . GLY . 18011 1 106 . ASN . 18011 1 107 . LYS . 18011 1 108 . VAL . 18011 1 109 . LYS . 18011 1 110 . GLY . 18011 1 111 . VAL . 18011 1 112 . GLY . 18011 1 113 . GLU . 18011 1 114 . GLU . 18011 1 115 . ASP . 18011 1 116 . LEU . 18011 1 117 . VAL . 18011 1 118 . GLU . 18011 1 119 . PHE . 18011 1 120 . LEU . 18011 1 121 . GLU . 18011 1 122 . PHE . 18011 1 123 . ARG . 18011 1 124 . LEU . 18011 1 125 . MET . 18011 1 126 . LEU . 18011 1 127 . CYS . 18011 1 128 . TYR . 18011 1 129 . ILE . 18011 1 130 . TYR . 18011 1 131 . ASP . 18011 1 132 . ILE . 18011 1 133 . PHE . 18011 1 134 . GLU . 18011 1 135 . LEU . 18011 1 136 . THR . 18011 1 137 . VAL . 18011 1 138 . MET . 18011 1 139 . PHE . 18011 1 140 . ASP . 18011 1 141 . THR . 18011 1 142 . MET . 18011 1 143 . ASP . 18011 1 144 . LYS . 18011 1 145 . ASP . 18011 1 146 . GLY . 18011 1 147 . SER . 18011 1 148 . LEU . 18011 1 149 . LEU . 18011 1 150 . LEU . 18011 1 151 . GLU . 18011 1 152 . LEU . 18011 1 153 . GLN . 18011 1 154 . GLU . 18011 1 155 . PHE . 18011 1 156 . LYS . 18011 1 157 . GLU . 18011 1 158 . ALA . 18011 1 159 . LEU . 18011 1 160 . PRO . 18011 1 161 . LYS . 18011 1 162 . LEU . 18011 1 163 . LYS . 18011 1 164 . GLU . 18011 1 165 . TRP . 18011 1 166 . GLY . 18011 1 167 . VAL . 18011 1 168 . ASP . 18011 1 169 . ILE . 18011 1 170 . THR . 18011 1 171 . ASP . 18011 1 172 . ALA . 18011 1 173 . THR . 18011 1 174 . THR . 18011 1 175 . VAL . 18011 1 176 . PHE . 18011 1 177 . ASN . 18011 1 178 . GLU . 18011 1 179 . ILE . 18011 1 180 . ASP . 18011 1 181 . THR . 18011 1 182 . ASN . 18011 1 183 . GLY . 18011 1 184 . SER . 18011 1 185 . GLY . 18011 1 186 . VAL . 18011 1 187 . VAL . 18011 1 188 . THR . 18011 1 189 . PHE . 18011 1 190 . ASP . 18011 1 191 . GLU . 18011 1 192 . PHE . 18011 1 193 . SER . 18011 1 194 . CYS . 18011 1 195 . TRP . 18011 1 196 . ALA . 18011 1 197 . VAL . 18011 1 198 . THR . 18011 1 199 . LYS . 18011 1 200 . LYS . 18011 1 201 . LEU . 18011 1 202 . GLN . 18011 1 203 . VAL . 18011 1 204 . CYS . 18011 1 205 . GLY . 18011 1 206 . ASP . 18011 1 207 . PRO . 18011 1 208 . ASP . 18011 1 209 . GLY . 18011 1 210 . GLU . 18011 1 211 . GLU . 18011 1 212 . ASN . 18011 1 213 . GLY . 18011 1 214 . ALA . 18011 1 215 . ASN . 18011 1 216 . GLU . 18011 1 217 . GLY . 18011 1 218 . ASN . 18011 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 18011 1 . GLY 2 2 18011 1 . CYS 3 3 18011 1 . SER 4 4 18011 1 . GLY 5 5 18011 1 . SER 6 6 18011 1 . LYS 7 7 18011 1 . ASP 8 8 18011 1 . THR 9 9 18011 1 . THR 10 10 18011 1 . ASN 11 11 18011 1 . SER 12 12 18011 1 . LYS 13 13 18011 1 . ASP 14 14 18011 1 . GLY 15 15 18011 1 . ALA 16 16 18011 1 . ALA 17 17 18011 1 . SER 18 18 18011 1 . LYS 19 19 18011 1 . GLY 20 20 18011 1 . GLY 21 21 18011 1 . LYS 22 22 18011 1 . ASP 23 23 18011 1 . GLY 24 24 18011 1 . LYS 25 25 18011 1 . THR 26 26 18011 1 . THR 27 27 18011 1 . ALA 28 28 18011 1 . ASP 29 29 18011 1 . ARG 30 30 18011 1 . LYS 31 31 18011 1 . VAL 32 32 18011 1 . ALA 33 33 18011 1 . TRP 34 34 18011 1 . GLU 35 35 18011 1 . ARG 36 36 18011 1 . ILE 37 37 18011 1 . ARG 38 38 18011 1 . CYS 39 39 18011 1 . ALA 40 40 18011 1 . ILE 41 41 18011 1 . PRO 42 42 18011 1 . ARG 43 43 18011 1 . ASP 44 44 18011 1 . LYS 45 45 18011 1 . ASP 46 46 18011 1 . ALA 47 47 18011 1 . GLU 48 48 18011 1 . SER 49 49 18011 1 . LYS 50 50 18011 1 . SER 51 51 18011 1 . ARG 52 52 18011 1 . ARG 53 53 18011 1 . ILE 54 54 18011 1 . GLU 55 55 18011 1 . LEU 56 56 18011 1 . PHE 57 57 18011 1 . LYS 58 58 18011 1 . GLN 59 59 18011 1 . PHE 60 60 18011 1 . ASP 61 61 18011 1 . THR 62 62 18011 1 . ASN 63 63 18011 1 . GLY 64 64 18011 1 . THR 65 65 18011 1 . GLY 66 66 18011 1 . LYS 67 67 18011 1 . LEU 68 68 18011 1 . GLY 69 69 18011 1 . PHE 70 70 18011 1 . ARG 71 71 18011 1 . GLU 72 72 18011 1 . VAL 73 73 18011 1 . LEU 74 74 18011 1 . ASP 75 75 18011 1 . GLY 76 76 18011 1 . CYS 77 77 18011 1 . TYR 78 78 18011 1 . GLY 79 79 18011 1 . ILE 80 80 18011 1 . LEU 81 81 18011 1 . LYS 82 82 18011 1 . LEU 83 83 18011 1 . ASP 84 84 18011 1 . GLU 85 85 18011 1 . PHE 86 86 18011 1 . THR 87 87 18011 1 . THR 88 88 18011 1 . HIS 89 89 18011 1 . LEU 90 90 18011 1 . PRO 91 91 18011 1 . ASP 92 92 18011 1 . ILE 93 93 18011 1 . VAL 94 94 18011 1 . GLN 95 95 18011 1 . ARG 96 96 18011 1 . ALA 97 97 18011 1 . PHE 98 98 18011 1 . ASP 99 99 18011 1 . LYS 100 100 18011 1 . ALA 101 101 18011 1 . LYS 102 102 18011 1 . ASP 103 103 18011 1 . LEU 104 104 18011 1 . GLY 105 105 18011 1 . ASN 106 106 18011 1 . LYS 107 107 18011 1 . VAL 108 108 18011 1 . LYS 109 109 18011 1 . GLY 110 110 18011 1 . VAL 111 111 18011 1 . GLY 112 112 18011 1 . GLU 113 113 18011 1 . GLU 114 114 18011 1 . ASP 115 115 18011 1 . LEU 116 116 18011 1 . VAL 117 117 18011 1 . GLU 118 118 18011 1 . PHE 119 119 18011 1 . LEU 120 120 18011 1 . GLU 121 121 18011 1 . PHE 122 122 18011 1 . ARG 123 123 18011 1 . LEU 124 124 18011 1 . MET 125 125 18011 1 . LEU 126 126 18011 1 . CYS 127 127 18011 1 . TYR 128 128 18011 1 . ILE 129 129 18011 1 . TYR 130 130 18011 1 . ASP 131 131 18011 1 . ILE 132 132 18011 1 . PHE 133 133 18011 1 . GLU 134 134 18011 1 . LEU 135 135 18011 1 . THR 136 136 18011 1 . VAL 137 137 18011 1 . MET 138 138 18011 1 . PHE 139 139 18011 1 . ASP 140 140 18011 1 . THR 141 141 18011 1 . MET 142 142 18011 1 . ASP 143 143 18011 1 . LYS 144 144 18011 1 . ASP 145 145 18011 1 . GLY 146 146 18011 1 . SER 147 147 18011 1 . LEU 148 148 18011 1 . LEU 149 149 18011 1 . LEU 150 150 18011 1 . GLU 151 151 18011 1 . LEU 152 152 18011 1 . GLN 153 153 18011 1 . GLU 154 154 18011 1 . PHE 155 155 18011 1 . LYS 156 156 18011 1 . GLU 157 157 18011 1 . ALA 158 158 18011 1 . LEU 159 159 18011 1 . PRO 160 160 18011 1 . LYS 161 161 18011 1 . LEU 162 162 18011 1 . LYS 163 163 18011 1 . GLU 164 164 18011 1 . TRP 165 165 18011 1 . GLY 166 166 18011 1 . VAL 167 167 18011 1 . ASP 168 168 18011 1 . ILE 169 169 18011 1 . THR 170 170 18011 1 . ASP 171 171 18011 1 . ALA 172 172 18011 1 . THR 173 173 18011 1 . THR 174 174 18011 1 . VAL 175 175 18011 1 . PHE 176 176 18011 1 . ASN 177 177 18011 1 . GLU 178 178 18011 1 . ILE 179 179 18011 1 . ASP 180 180 18011 1 . THR 181 181 18011 1 . ASN 182 182 18011 1 . GLY 183 183 18011 1 . SER 184 184 18011 1 . GLY 185 185 18011 1 . VAL 186 186 18011 1 . VAL 187 187 18011 1 . THR 188 188 18011 1 . PHE 189 189 18011 1 . ASP 190 190 18011 1 . GLU 191 191 18011 1 . PHE 192 192 18011 1 . SER 193 193 18011 1 . CYS 194 194 18011 1 . TRP 195 195 18011 1 . ALA 196 196 18011 1 . VAL 197 197 18011 1 . THR 198 198 18011 1 . LYS 199 199 18011 1 . LYS 200 200 18011 1 . LEU 201 201 18011 1 . GLN 202 202 18011 1 . VAL 203 203 18011 1 . CYS 204 204 18011 1 . GLY 205 205 18011 1 . ASP 206 206 18011 1 . PRO 207 207 18011 1 . ASP 208 208 18011 1 . GLY 209 209 18011 1 . GLU 210 210 18011 1 . GLU 211 211 18011 1 . ASN 212 212 18011 1 . GLY 213 213 18011 1 . ALA 214 214 18011 1 . ASN 215 215 18011 1 . GLU 216 216 18011 1 . GLY 217 217 18011 1 . ASN 218 218 18011 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 18011 _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 $Tb24 . 5691 organism . 'Trypanosoma brucei' 'Trypanosoma brucei' . . Eukaryota . Trypanosoma brucei . . . . . . . . . . . . . . . . . . . . . 18011 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 18011 _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 $Tb24 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET23 . . . . . . 18011 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 18011 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Tb24 '[U-98% 13C; U-98% 15N]' . . 1 $Tb24 . . 1.0 . . mM . . . . 18011 1 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 18011 1 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 18011 1 4 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 18011 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 18011 _Sample_condition_list.ID 1 _Sample_condition_list.Details '1.0 mM Tb24 and 50 mM sodium phosphate at pH 7.0.' loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.05 . M 18011 1 pH 7.0 . pH 18011 1 pressure 1 . atm 18011 1 temperature 298 . K 18011 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 18011 _Software.ID 1 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 18011 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 18011 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 18011 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 18011 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 800 . . . 18011 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 18011 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18011 1 2 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18011 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18011 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18011 1 5 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18011 1 6 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18011 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 18011 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 'separate tube (no insert) similar to the experimental sample tube' . . . . . . . . 18011 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 'separate tube (no insert) similar to the experimental sample tube' . . . . . . . . 18011 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 'separate tube (no insert) similar to the experimental sample tube' . . . . . . . . 18011 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 18011 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 18011 1 2 '3D HNCO' . . . 18011 1 3 '3D HNCACB' . . . 18011 1 4 '3D CBCA(CO)NH' . . . 18011 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 4 4 SER HA H 1 4.412 0.05 . 1 . . . . 4 S HA . 18011 1 2 . 1 1 4 4 SER HB2 H 1 3.838 0.05 . 2 . . . . 4 S HB2 . 18011 1 3 . 1 1 4 4 SER C C 13 174.951 0.1 . 1 . . . . 4 S CO . 18011 1 4 . 1 1 4 4 SER CA C 13 58.780 0.1 . 1 . . . . 4 S CA . 18011 1 5 . 1 1 4 4 SER CB C 13 63.731 0.1 . 1 . . . . 4 S CB . 18011 1 6 . 1 1 5 5 GLY H H 1 8.410 0.05 . 1 . . . . 5 G H . 18011 1 7 . 1 1 5 5 GLY HA2 H 1 3.953 0.05 . 2 . . . . 5 G HA2 . 18011 1 8 . 1 1 5 5 GLY CA C 13 45.388 0.1 . 1 . . . . 5 G CA . 18011 1 9 . 1 1 5 5 GLY N N 15 111.136 0.2 . 1 . . . . 5 G N . 18011 1 10 . 1 1 6 6 SER HA H 1 4.357 0.05 . 1 . . . . 6 S HA . 18011 1 11 . 1 1 6 6 SER HB2 H 1 3.830 0.05 . 2 . . . . 6 S HB2 . 18011 1 12 . 1 1 6 6 SER C C 13 174.756 0.1 . 1 . . . . 6 S CO . 18011 1 13 . 1 1 6 6 SER CA C 13 58.438 0.1 . 1 . . . . 6 S CA . 18011 1 14 . 1 1 6 6 SER CB C 13 63.824 0.1 . 1 . . . . 6 S CB . 18011 1 15 . 1 1 7 7 LYS H H 1 8.269 0.05 . 1 . . . . 7 K H . 18011 1 16 . 1 1 7 7 LYS HA H 1 4.293 0.05 . 1 . . . . 7 K HA . 18011 1 17 . 1 1 7 7 LYS HB2 H 1 1.730 0.05 . 2 . . . . 7 K HB2 . 18011 1 18 . 1 1 7 7 LYS HG2 H 1 1.377 0.05 . 2 . . . . 7 K HG2 . 18011 1 19 . 1 1 7 7 LYS HE2 H 1 2.917 0.05 . 2 . . . . 7 K HE2 . 18011 1 20 . 1 1 7 7 LYS C C 13 176.153 0.1 . 1 . . . . 7 K CO . 18011 1 21 . 1 1 7 7 LYS CA C 13 56.443 0.1 . 1 . . . . 7 K CA . 18011 1 22 . 1 1 7 7 LYS CB C 13 32.927 0.1 . 1 . . . . 7 K CB . 18011 1 23 . 1 1 7 7 LYS CG C 13 24.590 0.1 . 1 . . . . 7 K CG . 18011 1 24 . 1 1 7 7 LYS CD C 13 28.333 0.1 . 1 . . . . 7 K CD . 18011 1 25 . 1 1 7 7 LYS CE C 13 42.128 0.1 . 1 . . . . 7 K CE . 18011 1 26 . 1 1 7 7 LYS N N 15 123.120 0.2 . 1 . . . . 7 K N . 18011 1 27 . 1 1 8 8 ASP H H 1 8.286 0.05 . 1 . . . . 8 D H . 18011 1 28 . 1 1 8 8 ASP HA H 1 4.631 0.05 . 1 . . . . 8 D HA . 18011 1 29 . 1 1 8 8 ASP HB2 H 1 2.633 0.05 . 2 . . . . 8 D HB2 . 18011 1 30 . 1 1 8 8 ASP C C 13 176.624 0.1 . 1 . . . . 8 D CO . 18011 1 31 . 1 1 8 8 ASP CA C 13 54.516 0.1 . 1 . . . . 8 D CA . 18011 1 32 . 1 1 8 8 ASP CB C 13 41.216 0.1 . 1 . . . . 8 D CB . 18011 1 33 . 1 1 8 8 ASP N N 15 121.276 0.2 . 1 . . . . 8 D N . 18011 1 34 . 1 1 9 9 THR H H 1 8.161 0.05 . 1 . . . . 9 T H . 18011 1 35 . 1 1 9 9 THR HA H 1 4.326 0.05 . 1 . . . . 9 T HA . 18011 1 36 . 1 1 9 9 THR HB H 1 4.701 0.05 . 1 . . . . 9 T HB . 18011 1 37 . 1 1 9 9 THR HG21 H 1 1.134 0.05 . 1 . . . . 9 T HG2 . 18011 1 38 . 1 1 9 9 THR HG22 H 1 1.134 0.05 . 1 . . . . 9 T HG2 . 18011 1 39 . 1 1 9 9 THR HG23 H 1 1.134 0.05 . 1 . . . . 9 T HG2 . 18011 1 40 . 1 1 9 9 THR C C 13 175.095 0.1 . 1 . . . . 9 T CO . 18011 1 41 . 1 1 9 9 THR CA C 13 61.938 0.1 . 1 . . . . 9 T CA . 18011 1 42 . 1 1 9 9 THR CB C 13 69.497 0.1 . 1 . . . . 9 T CB . 18011 1 43 . 1 1 9 9 THR N N 15 114.361 0.2 . 1 . . . . 9 T N . 18011 1 44 . 1 1 10 10 THR H H 1 8.196 0.05 . 1 . . . . 10 T H . 18011 1 45 . 1 1 10 10 THR HA H 1 4.217 0.05 . 1 . . . . 10 T HA . 18011 1 46 . 1 1 10 10 THR HB H 1 4.178 0.05 . 1 . . . . 10 T HB . 18011 1 47 . 1 1 10 10 THR HG21 H 1 1.158 0.05 . 1 . . . . 10 T HG2 . 18011 1 48 . 1 1 10 10 THR HG22 H 1 1.158 0.05 . 1 . . . . 10 T HG2 . 18011 1 49 . 1 1 10 10 THR HG23 H 1 1.158 0.05 . 1 . . . . 10 T HG2 . 18011 1 50 . 1 1 10 10 THR C C 13 174.483 0.1 . 1 . . . . 10 T CO . 18011 1 51 . 1 1 10 10 THR CA C 13 62.733 0.1 . 1 . . . . 10 T CA . 18011 1 52 . 1 1 10 10 THR CB C 13 69.703 0.1 . 1 . . . . 10 T CB . 18011 1 53 . 1 1 10 10 THR CG2 C 13 21.447 0.1 . 1 . . . . 10 T CG2 . 18011 1 54 . 1 1 10 10 THR N N 15 116.122 0.2 . 1 . . . . 10 T N . 18011 1 55 . 1 1 11 11 ASN H H 1 8.390 0.05 . 1 . . . . 11 N H . 18011 1 56 . 1 1 11 11 ASN HA H 1 4.703 0.05 . 1 . . . . 11 N HA . 18011 1 57 . 1 1 11 11 ASN HB2 H 1 2.754 0.05 . 2 . . . . 11 N HB2 . 18011 1 58 . 1 1 11 11 ASN HD21 H 1 6.869 0.05 . 2 . . . . 11 N HD21 . 18011 1 59 . 1 1 11 11 ASN HD22 H 1 7.535 0.05 . 2 . . . . 11 N HD22 . 18011 1 60 . 1 1 11 11 ASN C C 13 175.126 0.1 . 1 . . . . 11 N CO . 18011 1 61 . 1 1 11 11 ASN CA C 13 53.200 0.1 . 1 . . . . 11 N CA . 18011 1 62 . 1 1 11 11 ASN CB C 13 39.030 0.1 . 1 . . . . 11 N CB . 18011 1 63 . 1 1 11 11 ASN N N 15 120.802 0.2 . 1 . . . . 11 N N . 18011 1 64 . 1 1 11 11 ASN ND2 N 15 112.832 0.2 . 1 . . . . 11 N ND2 . 18011 1 65 . 1 1 12 12 SER H H 1 8.216 0.05 . 1 . . . . 12 S H . 18011 1 66 . 1 1 12 12 SER HA H 1 4.326 0.05 . 1 . . . . 12 S HA . 18011 1 67 . 1 1 12 12 SER HB2 H 1 3.827 0.05 . 2 . . . . 12 S HB2 . 18011 1 68 . 1 1 12 12 SER CA C 13 58.777 0.1 . 1 . . . . 12 S CA . 18011 1 69 . 1 1 12 12 SER CB C 13 63.945 0.1 . 1 . . . . 12 S CB . 18011 1 70 . 1 1 12 12 SER N N 15 116.333 0.2 . 1 . . . . 12 S N . 18011 1 71 . 1 1 13 13 LYS HA H 1 4.297 0.05 . 1 . . . . 13 K HA . 18011 1 72 . 1 1 13 13 LYS HB2 H 1 1.725 0.05 . 2 . . . . 13 K HB2 . 18011 1 73 . 1 1 13 13 LYS HB3 H 1 1.805 0.05 . 2 . . . . 13 K HB3 . 18011 1 74 . 1 1 13 13 LYS HG2 H 1 1.370 0.05 . 2 . . . . 13 K HG2 . 18011 1 75 . 1 1 13 13 LYS HD2 H 1 1.616 0.05 . 2 . . . . 13 K HD2 . 18011 1 76 . 1 1 13 13 LYS HE2 H 1 2.923 0.05 . 2 . . . . 13 K HE2 . 18011 1 77 . 1 1 13 13 LYS C C 13 176.388 0.1 . 1 . . . . 13 K CO . 18011 1 78 . 1 1 13 13 LYS CA C 13 56.397 0.1 . 1 . . . . 13 K CA . 18011 1 79 . 1 1 13 13 LYS CB C 13 32.841 0.1 . 1 . . . . 13 K CB . 18011 1 80 . 1 1 13 13 LYS CG C 13 24.581 0.1 . 1 . . . . 13 K CG . 18011 1 81 . 1 1 13 13 LYS CD C 13 28.841 0.1 . 1 . . . . 13 K CD . 18011 1 82 . 1 1 13 13 LYS CE C 13 41.904 0.1 . 1 . . . . 13 K CE . 18011 1 83 . 1 1 14 14 ASP H H 1 8.398 0.05 . 1 . . . . 14 D H . 18011 1 84 . 1 1 14 14 ASP HA H 1 4.472 0.05 . 1 . . . . 14 D HA . 18011 1 85 . 1 1 14 14 ASP HB2 H 1 2.606 0.05 . 2 . . . . 14 D HB2 . 18011 1 86 . 1 1 14 14 ASP C C 13 176.846 0.1 . 1 . . . . 14 D CO . 18011 1 87 . 1 1 14 14 ASP CA C 13 54.484 0.1 . 1 . . . . 14 D CA . 18011 1 88 . 1 1 14 14 ASP CB C 13 41.238 0.1 . 1 . . . . 14 D CB . 18011 1 89 . 1 1 14 14 ASP N N 15 121.682 0.2 . 1 . . . . 14 D N . 18011 1 90 . 1 1 15 15 GLY H H 1 8.247 0.05 . 1 . . . . 15 G H . 18011 1 91 . 1 1 15 15 GLY HA2 H 1 3.874 0.05 . 2 . . . . 15 G HA2 . 18011 1 92 . 1 1 15 15 GLY C C 13 174.305 0.1 . 1 . . . . 15 G CO . 18011 1 93 . 1 1 15 15 GLY CA C 13 45.594 0.1 . 1 . . . . 15 G CA . 18011 1 94 . 1 1 15 15 GLY N N 15 109.459 0.2 . 1 . . . . 15 G N . 18011 1 95 . 1 1 16 16 ALA H H 1 8.109 0.05 . 1 . . . . 16 A H . 18011 1 96 . 1 1 16 16 ALA HA H 1 4.235 0.05 . 1 . . . . 16 A HA . 18011 1 97 . 1 1 16 16 ALA HB1 H 1 1.327 0.05 . 1 . . . . 16 A HB . 18011 1 98 . 1 1 16 16 ALA HB2 H 1 1.327 0.05 . 1 . . . . 16 A HB . 18011 1 99 . 1 1 16 16 ALA HB3 H 1 1.327 0.05 . 1 . . . . 16 A HB . 18011 1 100 . 1 1 16 16 ALA C C 13 177.853 0.1 . 1 . . . . 16 A CO . 18011 1 101 . 1 1 16 16 ALA CA C 13 52.988 0.1 . 1 . . . . 16 A CA . 18011 1 102 . 1 1 16 16 ALA CB C 13 19.032 0.1 . 1 . . . . 16 A CB . 18011 1 103 . 1 1 16 16 ALA N N 15 123.599 0.2 . 1 . . . . 16 A N . 18011 1 104 . 1 1 17 17 ALA H H 1 8.170 0.05 . 1 . . . . 17 A H . 18011 1 105 . 1 1 17 17 ALA HA H 1 4.247 0.05 . 1 . . . . 17 A HA . 18011 1 106 . 1 1 17 17 ALA HB1 H 1 1.354 0.05 . 1 . . . . 17 A HB . 18011 1 107 . 1 1 17 17 ALA HB2 H 1 1.354 0.05 . 1 . . . . 17 A HB . 18011 1 108 . 1 1 17 17 ALA HB3 H 1 1.354 0.05 . 1 . . . . 17 A HB . 18011 1 109 . 1 1 17 17 ALA C C 13 177.993 0.1 . 1 . . . . 17 A CO . 18011 1 110 . 1 1 17 17 ALA CA C 13 52.832 0.1 . 1 . . . . 17 A CA . 18011 1 111 . 1 1 17 17 ALA CB C 13 19.024 0.1 . 1 . . . . 17 A CB . 18011 1 112 . 1 1 17 17 ALA N N 15 122.408 0.2 . 1 . . . . 17 A N . 18011 1 113 . 1 1 18 18 SER H H 1 8.123 0.05 . 1 . . . . 18 S H . 18011 1 114 . 1 1 18 18 SER HA H 1 4.354 0.05 . 1 . . . . 18 S HA . 18011 1 115 . 1 1 18 18 SER HB2 H 1 3.819 0.05 . 2 . . . . 18 S HB2 . 18011 1 116 . 1 1 18 18 SER C C 13 174.787 0.1 . 1 . . . . 18 S CO . 18011 1 117 . 1 1 18 18 SER CA C 13 58.487 0.1 . 1 . . . . 18 S CA . 18011 1 118 . 1 1 18 18 SER CB C 13 63.796 0.1 . 1 . . . . 18 S CB . 18011 1 119 . 1 1 18 18 SER N N 15 114.673 0.2 . 1 . . . . 18 S N . 18011 1 120 . 1 1 19 19 LYS H H 1 8.369 0.05 . 1 . . . . 19 K H . 18011 1 121 . 1 1 19 19 LYS HA H 1 4.303 0.05 . 1 . . . . 19 K HA . 18011 1 122 . 1 1 19 19 LYS HB2 H 1 1.739 0.05 . 2 . . . . 19 K HB2 . 18011 1 123 . 1 1 19 19 LYS HG2 H 1 1.402 0.05 . 2 . . . . 19 K HG2 . 18011 1 124 . 1 1 19 19 LYS HE2 H 1 2.935 0.05 . 2 . . . . 19 K HE2 . 18011 1 125 . 1 1 19 19 LYS C C 13 177.026 0.1 . 1 . . . . 19 K CO . 18011 1 126 . 1 1 19 19 LYS CA C 13 56.611 0.1 . 1 . . . . 19 K CA . 18011 1 127 . 1 1 19 19 LYS CB C 13 32.880 0.1 . 1 . . . . 19 K CB . 18011 1 128 . 1 1 19 19 LYS CG C 13 24.664 0.1 . 1 . . . . 19 K CG . 18011 1 129 . 1 1 19 19 LYS CD C 13 28.373 0.1 . 1 . . . . 19 K CD . 18011 1 130 . 1 1 19 19 LYS CE C 13 42.115 0.1 . 1 . . . . 19 K CE . 18011 1 131 . 1 1 19 19 LYS N N 15 123.097 0.2 . 1 . . . . 19 K N . 18011 1 132 . 1 1 20 20 GLY H H 1 8.350 0.05 . 1 . . . . 20 G H . 18011 1 133 . 1 1 20 20 GLY HA2 H 1 3.889 0.05 . 2 . . . . 20 G HA2 . 18011 1 134 . 1 1 20 20 GLY C C 13 174.575 0.1 . 1 . . . . 20 G CO . 18011 1 135 . 1 1 20 20 GLY CA C 13 45.362 0.1 . 1 . . . . 20 G CA . 18011 1 136 . 1 1 20 20 GLY N N 15 109.540 0.2 . 1 . . . . 20 G N . 18011 1 137 . 1 1 21 21 GLY H H 1 8.274 0.05 . 1 . . . . 21 G H . 18011 1 138 . 1 1 21 21 GLY HA2 H 1 3.919 0.05 . 2 . . . . 21 G HA2 . 18011 1 139 . 1 1 21 21 GLY C C 13 174.352 0.1 . 1 . . . . 21 G CO . 18011 1 140 . 1 1 21 21 GLY CA C 13 45.292 0.1 . 1 . . . . 21 G CA . 18011 1 141 . 1 1 21 21 GLY N N 15 108.677 0.2 . 1 . . . . 21 G N . 18011 1 142 . 1 1 22 22 LYS H H 1 8.241 0.05 . 1 . . . . 22 K H . 18011 1 143 . 1 1 22 22 LYS HA H 1 4.245 0.05 . 1 . . . . 22 K HA . 18011 1 144 . 1 1 22 22 LYS HB2 H 1 1.695 0.05 . 2 . . . . 22 K HB2 . 18011 1 145 . 1 1 22 22 LYS CA C 13 56.650 0.1 . 1 . . . . 22 K CA . 18011 1 146 . 1 1 22 22 LYS CB C 13 33.050 0.1 . 1 . . . . 22 K CB . 18011 1 147 . 1 1 22 22 LYS N N 15 120.711 0.2 . 1 . . . . 22 K N . 18011 1 148 . 1 1 23 23 ASP HA H 1 4.420 0.05 . 1 . . . . 23 D HA . 18011 1 149 . 1 1 23 23 ASP HB2 H 1 2.637 0.05 . 2 . . . . 23 D HB2 . 18011 1 150 . 1 1 23 23 ASP C C 13 176.571 0.1 . 1 . . . . 23 D CO . 18011 1 151 . 1 1 23 23 ASP CA C 13 54.357 0.1 . 1 . . . . 23 D CA . 18011 1 152 . 1 1 23 23 ASP CB C 13 41.423 0.1 . 1 . . . . 23 D CB . 18011 1 153 . 1 1 24 24 GLY H H 1 8.313 0.05 . 1 . . . . 24 G H . 18011 1 154 . 1 1 24 24 GLY HA2 H 1 3.885 0.05 . 2 . . . . 24 G HA2 . 18011 1 155 . 1 1 24 24 GLY C C 13 174.144 0.1 . 1 . . . . 24 G CO . 18011 1 156 . 1 1 24 24 GLY CA C 13 45.486 0.1 . 1 . . . . 24 G CA . 18011 1 157 . 1 1 24 24 GLY N N 15 109.600 0.2 . 1 . . . . 24 G N . 18011 1 158 . 1 1 25 25 LYS H H 1 8.085 0.05 . 1 . . . . 25 K H . 18011 1 159 . 1 1 25 25 LYS HA H 1 4.581 0.05 . 1 . . . . 25 K HA . 18011 1 160 . 1 1 25 25 LYS HB2 H 1 1.604 0.05 . 2 . . . . 25 K HB2 . 18011 1 161 . 1 1 25 25 LYS HB3 H 1 1.736 0.05 . 2 . . . . 25 K HB3 . 18011 1 162 . 1 1 25 25 LYS HG2 H 1 1.248 0.05 . 2 . . . . 25 K HG2 . 18011 1 163 . 1 1 25 25 LYS HD2 H 1 1.561 0.05 . 2 . . . . 25 K HD2 . 18011 1 164 . 1 1 25 25 LYS HE2 H 1 2.727 0.05 . 2 . . . . 25 K HE2 . 18011 1 165 . 1 1 25 25 LYS HE3 H 1 2.821 0.05 . 2 . . . . 25 K HE3 . 18011 1 166 . 1 1 25 25 LYS C C 13 176.800 0.1 . 1 . . . . 25 K CO . 18011 1 167 . 1 1 25 25 LYS CA C 13 54.519 0.1 . 1 . . . . 25 K CA . 18011 1 168 . 1 1 25 25 LYS CB C 13 33.338 0.1 . 1 . . . . 25 K CB . 18011 1 169 . 1 1 25 25 LYS CG C 13 24.578 0.1 . 1 . . . . 25 K CG . 18011 1 170 . 1 1 25 25 LYS CD C 13 28.158 0.1 . 1 . . . . 25 K CD . 18011 1 171 . 1 1 25 25 LYS CE C 13 42.293 0.1 . 1 . . . . 25 K CE . 18011 1 172 . 1 1 25 25 LYS N N 15 120.269 0.2 . 1 . . . . 25 K N . 18011 1 173 . 1 1 26 26 THR H H 1 8.922 0.05 . 1 . . . . 26 T H . 18011 1 174 . 1 1 26 26 THR HA H 1 4.544 0.05 . 1 . . . . 26 T HA . 18011 1 175 . 1 1 26 26 THR HB H 1 4.577 0.05 . 1 . . . . 26 T HB . 18011 1 176 . 1 1 26 26 THR HG21 H 1 1.218 0.05 . 1 . . . . 26 T HG2 . 18011 1 177 . 1 1 26 26 THR HG22 H 1 1.218 0.05 . 1 . . . . 26 T HG2 . 18011 1 178 . 1 1 26 26 THR HG23 H 1 1.218 0.05 . 1 . . . . 26 T HG2 . 18011 1 179 . 1 1 26 26 THR C C 13 175.721 0.1 . 1 . . . . 26 T CO . 18011 1 180 . 1 1 26 26 THR CA C 13 60.508 0.1 . 1 . . . . 26 T CA . 18011 1 181 . 1 1 26 26 THR CB C 13 71.799 0.1 . 1 . . . . 26 T CB . 18011 1 182 . 1 1 26 26 THR CG2 C 13 21.588 0.1 . 1 . . . . 26 T CG2 . 18011 1 183 . 1 1 26 26 THR N N 15 113.659 0.2 . 1 . . . . 26 T N . 18011 1 184 . 1 1 27 27 THR H H 1 8.549 0.05 . 1 . . . . 27 T H . 18011 1 185 . 1 1 27 27 THR HA H 1 3.798 0.05 . 1 . . . . 27 T HA . 18011 1 186 . 1 1 27 27 THR HB H 1 4.024 0.05 . 1 . . . . 27 T HB . 18011 1 187 . 1 1 27 27 THR HG21 H 1 1.171 0.05 . 1 . . . . 27 T HG2 . 18011 1 188 . 1 1 27 27 THR HG22 H 1 1.171 0.05 . 1 . . . . 27 T HG2 . 18011 1 189 . 1 1 27 27 THR HG23 H 1 1.171 0.05 . 1 . . . . 27 T HG2 . 18011 1 190 . 1 1 27 27 THR C C 13 176.459 0.1 . 1 . . . . 27 T CO . 18011 1 191 . 1 1 27 27 THR CA C 13 65.541 0.1 . 1 . . . . 27 T CA . 18011 1 192 . 1 1 27 27 THR CB C 13 68.663 0.1 . 1 . . . . 27 T CB . 18011 1 193 . 1 1 27 27 THR CG2 C 13 21.932 0.1 . 1 . . . . 27 T CG2 . 18011 1 194 . 1 1 27 27 THR N N 15 116.188 0.2 . 1 . . . . 27 T N . 18011 1 195 . 1 1 28 28 ALA H H 1 8.008 0.05 . 1 . . . . 28 A H . 18011 1 196 . 1 1 28 28 ALA HA H 1 4.072 0.05 . 1 . . . . 28 A HA . 18011 1 197 . 1 1 28 28 ALA HB1 H 1 1.344 0.05 . 1 . . . . 28 A HB . 18011 1 198 . 1 1 28 28 ALA HB2 H 1 1.344 0.05 . 1 . . . . 28 A HB . 18011 1 199 . 1 1 28 28 ALA HB3 H 1 1.344 0.05 . 1 . . . . 28 A HB . 18011 1 200 . 1 1 28 28 ALA C C 13 179.508 0.1 . 1 . . . . 28 A CO . 18011 1 201 . 1 1 28 28 ALA CA C 13 54.863 0.1 . 1 . . . . 28 A CA . 18011 1 202 . 1 1 28 28 ALA CB C 13 18.336 0.1 . 1 . . . . 28 A CB . 18011 1 203 . 1 1 28 28 ALA N N 15 124.576 0.2 . 1 . . . . 28 A N . 18011 1 204 . 1 1 29 29 ASP H H 1 7.732 0.05 . 1 . . . . 29 D H . 18011 1 205 . 1 1 29 29 ASP HA H 1 4.303 0.05 . 1 . . . . 29 D HA . 18011 1 206 . 1 1 29 29 ASP HB2 H 1 2.708 0.05 . 2 . . . . 29 D HB2 . 18011 1 207 . 1 1 29 29 ASP HB3 H 1 2.833 0.05 . 2 . . . . 29 D HB3 . 18011 1 208 . 1 1 29 29 ASP CA C 13 56.833 0.1 . 1 . . . . 29 D CA . 18011 1 209 . 1 1 29 29 ASP CB C 13 41.400 0.1 . 1 . . . . 29 D CB . 18011 1 210 . 1 1 29 29 ASP N N 15 118.850 0.2 . 1 . . . . 29 D N . 18011 1 211 . 1 1 30 30 ARG H H 1 7.835 0.05 . 1 . . . . 30 R H . 18011 1 212 . 1 1 30 30 ARG HA H 1 3.002 0.05 . 1 . . . . 30 R HA . 18011 1 213 . 1 1 30 30 ARG C C 13 175.702 0.1 . 1 . . . . 30 R CO . 18011 1 214 . 1 1 30 30 ARG CA C 13 62.179 0.1 . 1 . . . . 30 R CA . 18011 1 215 . 1 1 30 30 ARG CB C 13 30.229 0.1 . 1 . . . . 30 R CB . 18011 1 216 . 1 1 30 30 ARG CD C 13 42.325 0.1 . 1 . . . . 30 R CD . 18011 1 217 . 1 1 31 31 LYS H H 1 8.051 0.05 . 1 . . . . 31 K H . 18011 1 218 . 1 1 31 31 LYS HA H 1 4.038 0.05 . 1 . . . . 31 K HA . 18011 1 219 . 1 1 31 31 LYS HB2 H 1 1.972 0.05 . 2 . . . . 31 K HB2 . 18011 1 220 . 1 1 31 31 LYS HG2 H 1 1.611 0.05 . 2 . . . . 31 K HG2 . 18011 1 221 . 1 1 31 31 LYS HE2 H 1 2.944 0.05 . 2 . . . . 31 K HE2 . 18011 1 222 . 1 1 31 31 LYS C C 13 179.192 0.1 . 1 . . . . 31 K CO . 18011 1 223 . 1 1 31 31 LYS CA C 13 60.544 0.1 . 1 . . . . 31 K CA . 18011 1 224 . 1 1 31 31 LYS CB C 13 32.456 0.1 . 1 . . . . 31 K CB . 18011 1 225 . 1 1 31 31 LYS CG C 13 25.447 0.1 . 1 . . . . 31 K CG . 18011 1 226 . 1 1 31 31 LYS CD C 13 29.655 0.1 . 1 . . . . 31 K CD . 18011 1 227 . 1 1 31 31 LYS CE C 13 41.967 0.1 . 1 . . . . 31 K CE . 18011 1 228 . 1 1 31 31 LYS N N 15 122.306 0.2 . 1 . . . . 31 K N . 18011 1 229 . 1 1 32 32 VAL H H 1 7.631 0.05 . 1 . . . . 32 V H . 18011 1 230 . 1 1 32 32 VAL HA H 1 3.768 0.05 . 1 . . . . 32 V HA . 18011 1 231 . 1 1 32 32 VAL HB H 1 2.114 0.05 . 1 . . . . 32 V HB . 18011 1 232 . 1 1 32 32 VAL HG11 H 1 0.991 0.05 . 2 . . . . 32 V HG1 . 18011 1 233 . 1 1 32 32 VAL HG12 H 1 0.991 0.05 . 2 . . . . 32 V HG1 . 18011 1 234 . 1 1 32 32 VAL HG13 H 1 0.991 0.05 . 2 . . . . 32 V HG1 . 18011 1 235 . 1 1 32 32 VAL HG21 H 1 1.079 0.05 . 2 . . . . 32 V HG2 . 18011 1 236 . 1 1 32 32 VAL HG22 H 1 1.079 0.05 . 2 . . . . 32 V HG2 . 18011 1 237 . 1 1 32 32 VAL HG23 H 1 1.079 0.05 . 2 . . . . 32 V HG2 . 18011 1 238 . 1 1 32 32 VAL C C 13 179.208 0.1 . 1 . . . . 32 V CO . 18011 1 239 . 1 1 32 32 VAL CA C 13 66.014 0.1 . 1 . . . . 32 V CA . 18011 1 240 . 1 1 32 32 VAL CB C 13 32.140 0.1 . 1 . . . . 32 V CB . 18011 1 241 . 1 1 32 32 VAL CG1 C 13 21.195 0.1 . 2 . . . . 32 V CG1 . 18011 1 242 . 1 1 32 32 VAL CG2 C 13 22.724 0.1 . 2 . . . . 32 V CG2 . 18011 1 243 . 1 1 32 32 VAL N N 15 118.991 0.2 . 1 . . . . 32 V N . 18011 1 244 . 1 1 33 33 ALA H H 1 8.023 0.05 . 1 . . . . 33 A H . 18011 1 245 . 1 1 33 33 ALA HA H 1 4.286 0.05 . 1 . . . . 33 A HA . 18011 1 246 . 1 1 33 33 ALA HB1 H 1 1.544 0.05 . 1 . . . . 33 A HB . 18011 1 247 . 1 1 33 33 ALA HB2 H 1 1.544 0.05 . 1 . . . . 33 A HB . 18011 1 248 . 1 1 33 33 ALA HB3 H 1 1.544 0.05 . 1 . . . . 33 A HB . 18011 1 249 . 1 1 33 33 ALA C C 13 179.981 0.1 . 1 . . . . 33 A CO . 18011 1 250 . 1 1 33 33 ALA CA C 13 54.992 0.1 . 1 . . . . 33 A CA . 18011 1 251 . 1 1 33 33 ALA CB C 13 18.502 0.1 . 1 . . . . 33 A CB . 18011 1 252 . 1 1 33 33 ALA N N 15 122.350 0.2 . 1 . . . . 33 A N . 18011 1 253 . 1 1 34 34 TRP H H 1 9.207 0.05 . 1 . . . . 34 W H . 18011 1 254 . 1 1 34 34 TRP HA H 1 4.725 0.05 . 1 . . . . 34 W HA . 18011 1 255 . 1 1 34 34 TRP HB2 H 1 3.481 0.05 . 2 . . . . 34 W HB2 . 18011 1 256 . 1 1 34 34 TRP HB3 H 1 3.551 0.05 . 2 . . . . 34 W HB3 . 18011 1 257 . 1 1 34 34 TRP HD1 H 1 7.285 0.05 . 1 . . . . 34 W HD1 . 18011 1 258 . 1 1 34 34 TRP HE1 H 1 10.264 0.05 . 1 . . . . 34 W HE1 . 18011 1 259 . 1 1 34 34 TRP HE3 H 1 6.983 0.05 . 1 . . . . 34 W HE3 . 18011 1 260 . 1 1 34 34 TRP HZ2 H 1 7.038 0.05 . 1 . . . . 34 W HZ2 . 18011 1 261 . 1 1 34 34 TRP HZ3 H 1 7.150 0.05 . 1 . . . . 34 W HZ3 . 18011 1 262 . 1 1 34 34 TRP HH2 H 1 5.425 0.05 . 1 . . . . 34 W HH2 . 18011 1 263 . 1 1 34 34 TRP C C 13 175.963 0.1 . 1 . . . . 34 W CO . 18011 1 264 . 1 1 34 34 TRP CA C 13 58.887 0.1 . 1 . . . . 34 W CA . 18011 1 265 . 1 1 34 34 TRP CB C 13 31.110 0.1 . 1 . . . . 34 W CB . 18011 1 266 . 1 1 34 34 TRP N N 15 119.179 0.2 . 1 . . . . 34 W N . 18011 1 267 . 1 1 34 34 TRP NE1 N 15 126.883 0.2 . 1 . . . . 34 W NE1 . 18011 1 268 . 1 1 35 35 GLU H H 1 7.664 0.05 . 1 . . . . 35 E H . 18011 1 269 . 1 1 35 35 GLU HA H 1 3.560 0.05 . 1 . . . . 35 E HA . 18011 1 270 . 1 1 35 35 GLU HB2 H 1 2.043 0.05 . 2 . . . . 35 E HB2 . 18011 1 271 . 1 1 35 35 GLU HB3 H 1 2.115 0.05 . 2 . . . . 35 E HB3 . 18011 1 272 . 1 1 35 35 GLU HG2 H 1 2.432 0.05 . 2 . . . . 35 E HG2 . 18011 1 273 . 1 1 35 35 GLU C C 13 177.799 0.1 . 1 . . . . 35 E CO . 18011 1 274 . 1 1 35 35 GLU CA C 13 59.215 0.1 . 1 . . . . 35 E CA . 18011 1 275 . 1 1 35 35 GLU CB C 13 29.101 0.1 . 1 . . . . 35 E CB . 18011 1 276 . 1 1 35 35 GLU CG C 13 36.199 0.1 . 1 . . . . 35 E CG . 18011 1 277 . 1 1 35 35 GLU N N 15 115.576 0.2 . 1 . . . . 35 E N . 18011 1 278 . 1 1 36 36 ARG H H 1 6.960 0.05 . 1 . . . . 36 R H . 18011 1 279 . 1 1 36 36 ARG HA H 1 4.197 0.05 . 1 . . . . 36 R HA . 18011 1 280 . 1 1 36 36 ARG HB2 H 1 1.870 0.05 . 2 . . . . 36 R HB2 . 18011 1 281 . 1 1 36 36 ARG HB3 H 1 2.096 0.05 . 2 . . . . 36 R HB3 . 18011 1 282 . 1 1 36 36 ARG HD2 H 1 2.546 0.05 . 2 . . . . 36 R HD2 . 18011 1 283 . 1 1 36 36 ARG HD3 H 1 2.514 0.05 . 2 . . . . 36 R HD3 . 18011 1 284 . 1 1 36 36 ARG C C 13 179.450 0.1 . 1 . . . . 36 R CO . 18011 1 285 . 1 1 36 36 ARG CA C 13 58.548 0.1 . 1 . . . . 36 R CA . 18011 1 286 . 1 1 36 36 ARG CB C 13 30.697 0.1 . 1 . . . . 36 R CB . 18011 1 287 . 1 1 36 36 ARG CG C 13 26.769 0.1 . 1 . . . . 36 R CG . 18011 1 288 . 1 1 36 36 ARG CD C 13 42.221 0.1 . 1 . . . . 36 R CD . 18011 1 289 . 1 1 36 36 ARG N N 15 116.437 0.2 . 1 . . . . 36 R N . 18011 1 290 . 1 1 37 37 ILE H H 1 9.016 0.05 . 1 . . . . 37 I H . 18011 1 291 . 1 1 37 37 ILE HA H 1 3.378 0.05 . 1 . . . . 37 I HA . 18011 1 292 . 1 1 37 37 ILE HB H 1 1.762 0.05 . 1 . . . . 37 I HB . 18011 1 293 . 1 1 37 37 ILE HG13 H 1 1.994 0.05 . 2 . . . . 37 I HG13 . 18011 1 294 . 1 1 37 37 ILE HG21 H 1 0.984 0.05 . 1 . . . . 37 I HG2 . 18011 1 295 . 1 1 37 37 ILE HG22 H 1 0.984 0.05 . 1 . . . . 37 I HG2 . 18011 1 296 . 1 1 37 37 ILE HG23 H 1 0.984 0.05 . 1 . . . . 37 I HG2 . 18011 1 297 . 1 1 37 37 ILE HD11 H 1 1.111 0.05 . 1 . . . . 37 I HD1 . 18011 1 298 . 1 1 37 37 ILE HD12 H 1 1.111 0.05 . 1 . . . . 37 I HD1 . 18011 1 299 . 1 1 37 37 ILE HD13 H 1 1.111 0.05 . 1 . . . . 37 I HD1 . 18011 1 300 . 1 1 37 37 ILE C C 13 171.886 0.1 . 1 . . . . 37 I CO . 18011 1 301 . 1 1 37 37 ILE CA C 13 66.205 0.1 . 1 . . . . 37 I CA . 18011 1 302 . 1 1 37 37 ILE CB C 13 39.024 0.1 . 1 . . . . 37 I CB . 18011 1 303 . 1 1 37 37 ILE CG1 C 13 27.556 0.1 . 1 . . . . 37 I CG1 . 18011 1 304 . 1 1 37 37 ILE CG2 C 13 18.317 0.1 . 1 . . . . 37 I CG2 . 18011 1 305 . 1 1 37 37 ILE CD1 C 13 16.584 0.1 . 1 . . . . 37 I CD1 . 18011 1 306 . 1 1 37 37 ILE N N 15 123.152 0.2 . 1 . . . . 37 I N . 18011 1 307 . 1 1 38 38 ARG H H 1 8.526 0.05 . 1 . . . . 38 R H . 18011 1 308 . 1 1 38 38 ARG HA H 1 3.588 0.05 . 1 . . . . 38 R HA . 18011 1 309 . 1 1 38 38 ARG HB2 H 1 -0.568 0.05 . 2 . . . . 38 R HB2 . 18011 1 310 . 1 1 38 38 ARG HB3 H 1 1.022 0.05 . 2 . . . . 38 R HB3 . 18011 1 311 . 1 1 38 38 ARG HG2 H 1 1.290 0.05 . 2 . . . . 38 R HG2 . 18011 1 312 . 1 1 38 38 ARG HG3 H 1 1.111 0.05 . 2 . . . . 38 R HG3 . 18011 1 313 . 1 1 38 38 ARG HD2 H 1 2.460 0.05 . 2 . . . . 38 R HD2 . 18011 1 314 . 1 1 38 38 ARG C C 13 176.370 0.1 . 1 . . . . 38 R CO . 18011 1 315 . 1 1 38 38 ARG CA C 13 57.687 0.1 . 1 . . . . 38 R CA . 18011 1 316 . 1 1 38 38 ARG CB C 13 27.592 0.1 . 1 . . . . 38 R CB . 18011 1 317 . 1 1 38 38 ARG CG C 13 25.553 0.1 . 1 . . . . 38 R CG . 18011 1 318 . 1 1 38 38 ARG CD C 13 43.296 0.1 . 1 . . . . 38 R CD . 18011 1 319 . 1 1 38 38 ARG N N 15 117.527 0.2 . 1 . . . . 38 R N . 18011 1 320 . 1 1 39 39 CYS H H 1 6.655 0.05 . 1 . . . . 39 C H . 18011 1 321 . 1 1 39 39 CYS HA H 1 4.403 0.05 . 1 . . . . 39 C HA . 18011 1 322 . 1 1 39 39 CYS HB2 H 1 2.828 0.05 . 2 . . . . 39 C HB2 . 18011 1 323 . 1 1 39 39 CYS HB3 H 1 2.936 0.05 . 2 . . . . 39 C HB3 . 18011 1 324 . 1 1 39 39 CYS C C 13 174.729 0.1 . 1 . . . . 39 C CO . 18011 1 325 . 1 1 39 39 CYS CA C 13 59.696 0.1 . 1 . . . . 39 C CA . 18011 1 326 . 1 1 39 39 CYS CB C 13 27.758 0.1 . 1 . . . . 39 C CB . 18011 1 327 . 1 1 39 39 CYS N N 15 113.921 0.2 . 1 . . . . 39 C N . 18011 1 328 . 1 1 40 40 ALA H H 1 7.744 0.05 . 1 . . . . 40 A H . 18011 1 329 . 1 1 40 40 ALA HA H 1 4.208 0.05 . 1 . . . . 40 A HA . 18011 1 330 . 1 1 40 40 ALA HB1 H 1 1.428 0.05 . 1 . . . . 40 A HB . 18011 1 331 . 1 1 40 40 ALA HB2 H 1 1.428 0.05 . 1 . . . . 40 A HB . 18011 1 332 . 1 1 40 40 ALA HB3 H 1 1.428 0.05 . 1 . . . . 40 A HB . 18011 1 333 . 1 1 40 40 ALA C C 13 177.598 0.1 . 1 . . . . 40 A CO . 18011 1 334 . 1 1 40 40 ALA CA C 13 53.417 0.1 . 1 . . . . 40 A CA . 18011 1 335 . 1 1 40 40 ALA CB C 13 19.893 0.1 . 1 . . . . 40 A CB . 18011 1 336 . 1 1 40 40 ALA N N 15 123.507 0.2 . 1 . . . . 40 A N . 18011 1 337 . 1 1 41 41 ILE H H 1 7.577 0.05 . 1 . . . . 41 I H . 18011 1 338 . 1 1 41 41 ILE HA H 1 4.235 0.05 . 1 . . . . 41 I HA . 18011 1 339 . 1 1 41 41 ILE HB H 1 2.062 0.05 . 1 . . . . 41 I HB . 18011 1 340 . 1 1 41 41 ILE HG12 H 1 0.263 0.05 . 2 . . . . 41 I HG12 . 18011 1 341 . 1 1 41 41 ILE HG13 H 1 0.669 0.05 . 2 . . . . 41 I HG13 . 18011 1 342 . 1 1 41 41 ILE HG21 H 1 0.741 0.05 . 1 . . . . 41 I HG2 . 18011 1 343 . 1 1 41 41 ILE HG22 H 1 0.741 0.05 . 1 . . . . 41 I HG2 . 18011 1 344 . 1 1 41 41 ILE HG23 H 1 0.741 0.05 . 1 . . . . 41 I HG2 . 18011 1 345 . 1 1 41 41 ILE HD11 H 1 0.832 0.05 . 1 . . . . 41 I HD1 . 18011 1 346 . 1 1 41 41 ILE HD12 H 1 0.832 0.05 . 1 . . . . 41 I HD1 . 18011 1 347 . 1 1 41 41 ILE HD13 H 1 0.832 0.05 . 1 . . . . 41 I HD1 . 18011 1 348 . 1 1 41 41 ILE CA C 13 58.997 0.1 . 1 . . . . 41 I CA . 18011 1 349 . 1 1 41 41 ILE CB C 13 39.380 0.1 . 1 . . . . 41 I CB . 18011 1 350 . 1 1 41 41 ILE CG2 C 13 18.272 0.1 . 1 . . . . 41 I CG2 . 18011 1 351 . 1 1 41 41 ILE CD1 C 13 13.381 0.1 . 1 . . . . 41 I CD1 . 18011 1 352 . 1 1 41 41 ILE N N 15 115.332 0.2 . 1 . . . . 41 I N . 18011 1 353 . 1 1 42 42 PRO HA H 1 4.621 0.05 . 1 . . . . 42 P HA . 18011 1 354 . 1 1 42 42 PRO HB2 H 1 1.723 0.05 . 2 . . . . 42 P HB2 . 18011 1 355 . 1 1 42 42 PRO HB3 H 1 2.078 0.05 . 2 . . . . 42 P HB3 . 18011 1 356 . 1 1 42 42 PRO HG2 H 1 1.745 0.05 . 2 . . . . 42 P HG2 . 18011 1 357 . 1 1 42 42 PRO HG3 H 1 1.849 0.05 . 2 . . . . 42 P HG3 . 18011 1 358 . 1 1 42 42 PRO HD2 H 1 3.255 0.05 . 2 . . . . 42 P HD2 . 18011 1 359 . 1 1 42 42 PRO C C 13 176.034 0.1 . 1 . . . . 42 P CO . 18011 1 360 . 1 1 42 42 PRO CA C 13 60.968 0.1 . 1 . . . . 42 P CA . 18011 1 361 . 1 1 42 42 PRO CB C 13 30.317 0.1 . 1 . . . . 42 P CB . 18011 1 362 . 1 1 42 42 PRO CG C 13 27.802 0.1 . 1 . . . . 42 P CG . 18011 1 363 . 1 1 42 42 PRO CD C 13 50.315 0.1 . 1 . . . . 42 P CD . 18011 1 364 . 1 1 43 43 ARG H H 1 8.288 0.05 . 1 . . . . 43 R H . 18011 1 365 . 1 1 43 43 ARG HA H 1 4.011 0.05 . 1 . . . . 43 R HA . 18011 1 366 . 1 1 43 43 ARG HB2 H 1 1.860 0.05 . 2 . . . . 43 R HB2 . 18011 1 367 . 1 1 43 43 ARG HG2 H 1 1.147 0.05 . 2 . . . . 43 R HG2 . 18011 1 368 . 1 1 43 43 ARG HD2 H 1 2.918 0.05 . 2 . . . . 43 R HE . 18011 1 369 . 1 1 43 43 ARG C C 13 175.529 0.1 . 1 . . . . 43 R CO . 18011 1 370 . 1 1 43 43 ARG CA C 13 54.403 0.1 . 1 . . . . 43 R CA . 18011 1 371 . 1 1 43 43 ARG CB C 13 32.287 0.1 . 1 . . . . 43 R CB . 18011 1 372 . 1 1 43 43 ARG CG C 13 27.115 0.1 . 1 . . . . 43 R CG . 18011 1 373 . 1 1 43 43 ARG CD C 13 42.208 0.1 . 1 . . . . 43 R CD . 18011 1 374 . 1 1 43 43 ARG N N 15 129.977 0.2 . 1 . . . . 43 R N . 18011 1 375 . 1 1 44 44 ASP H H 1 7.794 0.05 . 1 . . . . 44 D H . 18011 1 376 . 1 1 44 44 ASP HA H 1 4.644 0.05 . 1 . . . . 44 D HA . 18011 1 377 . 1 1 44 44 ASP HB2 H 1 2.694 0.05 . 2 . . . . 44 D HB2 . 18011 1 378 . 1 1 44 44 ASP HB3 H 1 2.924 0.05 . 2 . . . . 44 D HB3 . 18011 1 379 . 1 1 44 44 ASP C C 13 176.667 0.1 . 1 . . . . 44 D CO . 18011 1 380 . 1 1 44 44 ASP CA C 13 54.219 0.1 . 1 . . . . 44 D CA . 18011 1 381 . 1 1 44 44 ASP CB C 13 42.391 0.1 . 1 . . . . 44 D CB . 18011 1 382 . 1 1 44 44 ASP N N 15 117.184 0.2 . 1 . . . . 44 D N . 18011 1 383 . 1 1 45 45 LYS H H 1 8.887 0.05 . 1 . . . . 45 K H . 18011 1 384 . 1 1 45 45 LYS HA H 1 4.398 0.05 . 1 . . . . 45 K HA . 18011 1 385 . 1 1 45 45 LYS HB2 H 1 1.670 0.05 . 2 . . . . 45 K HB2 . 18011 1 386 . 1 1 45 45 LYS HB3 H 1 1.906 0.05 . 2 . . . . 45 K HB3 . 18011 1 387 . 1 1 45 45 LYS HG2 H 1 1.425 0.05 . 2 . . . . 45 K HG2 . 18011 1 388 . 1 1 45 45 LYS HE2 H 1 2.805 0.05 . 2 . . . . 45 K HE2 . 18011 1 389 . 1 1 45 45 LYS HE3 H 1 2.893 0.05 . 2 . . . . 45 K HE3 . 18011 1 390 . 1 1 45 45 LYS C C 13 175.479 0.1 . 1 . . . . 45 K CO . 18011 1 391 . 1 1 45 45 LYS CA C 13 56.594 0.1 . 1 . . . . 45 K CA . 18011 1 392 . 1 1 45 45 LYS CB C 13 33.157 0.1 . 1 . . . . 45 K CB . 18011 1 393 . 1 1 45 45 LYS CG C 13 24.323 0.1 . 1 . . . . 45 K CG . 18011 1 394 . 1 1 45 45 LYS CD C 13 29.457 0.1 . 1 . . . . 45 K CD . 18011 1 395 . 1 1 45 45 LYS CE C 13 41.959 0.1 . 1 . . . . 45 K CE . 18011 1 396 . 1 1 45 45 LYS N N 15 118.035 0.2 . 1 . . . . 45 K N . 18011 1 397 . 1 1 46 46 ASP H H 1 7.859 0.05 . 1 . . . . 46 D H . 18011 1 398 . 1 1 46 46 ASP HA H 1 4.469 0.05 . 1 . . . . 46 D HA . 18011 1 399 . 1 1 46 46 ASP HB2 H 1 2.709 0.05 . 2 . . . . 46 D HB2 . 18011 1 400 . 1 1 46 46 ASP HB3 H 1 2.880 0.05 . 2 . . . . 46 D HB3 . 18011 1 401 . 1 1 46 46 ASP C C 13 175.106 0.1 . 1 . . . . 46 D CO . 18011 1 402 . 1 1 46 46 ASP CA C 13 53.423 0.1 . 1 . . . . 46 D CA . 18011 1 403 . 1 1 46 46 ASP CB C 13 42.007 0.1 . 1 . . . . 46 D CB . 18011 1 404 . 1 1 46 46 ASP N N 15 118.162 0.2 . 1 . . . . 46 D N . 18011 1 405 . 1 1 47 47 ALA H H 1 8.669 0.05 . 1 . . . . 47 A H . 18011 1 406 . 1 1 47 47 ALA HA H 1 4.492 0.05 . 1 . . . . 47 A HA . 18011 1 407 . 1 1 47 47 ALA HB1 H 1 1.449 0.05 . 1 . . . . 47 A HB . 18011 1 408 . 1 1 47 47 ALA HB2 H 1 1.449 0.05 . 1 . . . . 47 A HB . 18011 1 409 . 1 1 47 47 ALA HB3 H 1 1.449 0.05 . 1 . . . . 47 A HB . 18011 1 410 . 1 1 47 47 ALA C C 13 180.411 0.1 . 1 . . . . 47 A CO . 18011 1 411 . 1 1 47 47 ALA CA C 13 55.734 0.1 . 1 . . . . 47 A CA . 18011 1 412 . 1 1 47 47 ALA CB C 13 18.634 0.1 . 1 . . . . 47 A CB . 18011 1 413 . 1 1 47 47 ALA N N 15 122.249 0.2 . 1 . . . . 47 A N . 18011 1 414 . 1 1 48 48 GLU H H 1 8.405 0.05 . 1 . . . . 48 E H . 18011 1 415 . 1 1 48 48 GLU HA H 1 4.577 0.05 . 1 . . . . 48 E HA . 18011 1 416 . 1 1 48 48 GLU HB2 H 1 2.900 0.05 . 2 . . . . 48 E HB2 . 18011 1 417 . 1 1 48 48 GLU C C 13 174.915 0.1 . 1 . . . . 48 E CO . 18011 1 418 . 1 1 48 48 GLU CA C 13 58.243 0.1 . 1 . . . . 48 E CA . 18011 1 419 . 1 1 48 48 GLU CB C 13 28.117 0.1 . 1 . . . . 48 E CB . 18011 1 420 . 1 1 48 48 GLU CG C 13 36.225 0.1 . 1 . . . . 48 E CG . 18011 1 421 . 1 1 48 48 GLU N N 15 119.711 0.2 . 1 . . . . 48 E N . 18011 1 422 . 1 1 49 49 SER H H 1 8.483 0.05 . 1 . . . . 49 S H . 18011 1 423 . 1 1 49 49 SER HA H 1 4.226 0.05 . 1 . . . . 49 S HA . 18011 1 424 . 1 1 49 49 SER HB2 H 1 3.734 0.05 . 2 . . . . 49 S HB . 18011 1 425 . 1 1 49 49 SER HB3 H 1 3.734 0.05 . 2 . . . . 49 S HB . 18011 1 426 . 1 1 49 49 SER CA C 13 58.650 0.1 . 1 . . . . 49 S CA . 18011 1 427 . 1 1 49 49 SER CB C 13 63.982 0.1 . 1 . . . . 49 S CB . 18011 1 428 . 1 1 49 49 SER N N 15 118.601 0.2 . 1 . . . . 49 S N . 18011 1 429 . 1 1 50 50 LYS H H 1 8.094 0.05 . 1 . . . . 50 K H . 18011 1 430 . 1 1 50 50 LYS HA H 1 3.960 0.05 . 1 . . . . 50 K HA . 18011 1 431 . 1 1 50 50 LYS HB2 H 1 1.848 0.05 . 2 . . . . 50 K HB2 . 18011 1 432 . 1 1 50 50 LYS HG2 H 1 1.250 0.05 . 2 . . . . 50 K HG2 . 18011 1 433 . 1 1 50 50 LYS HD2 H 1 1.550 0.05 . 2 . . . . 50 K HD2 . 18011 1 434 . 1 1 50 50 LYS HE2 H 1 2.871 0.05 . 2 . . . . 50 K HE2 . 18011 1 435 . 1 1 50 50 LYS C C 13 179.741 0.1 . 1 . . . . 50 K CO . 18011 1 436 . 1 1 50 50 LYS CA C 13 60.200 0.1 . 1 . . . . 50 K CA . 18011 1 437 . 1 1 50 50 LYS CB C 13 32.384 0.1 . 1 . . . . 50 K CB . 18011 1 438 . 1 1 50 50 LYS CG C 13 24.599 0.1 . 1 . . . . 50 K CG . 18011 1 439 . 1 1 50 50 LYS CD C 13 29.720 0.1 . 1 . . . . 50 K CD . 18011 1 440 . 1 1 50 50 LYS CE C 13 42.116 0.1 . 1 . . . . 50 K CE . 18011 1 441 . 1 1 51 51 SER H H 1 7.833 0.05 . 1 . . . . 51 S H . 18011 1 442 . 1 1 51 51 SER HA H 1 4.227 0.05 . 1 . . . . 51 S HA . 18011 1 443 . 1 1 51 51 SER HB2 H 1 4.000 0.05 . 2 . . . . 51 S HB2 . 18011 1 444 . 1 1 51 51 SER CA C 13 61.499 0.1 . 1 . . . . 51 S CA . 18011 1 445 . 1 1 51 51 SER CB C 13 62.573 0.1 . 1 . . . . 51 S CB . 18011 1 446 . 1 1 51 51 SER N N 15 114.834 0.2 . 1 . . . . 51 S N . 18011 1 447 . 1 1 52 52 ARG H H 1 8.416 0.05 . 1 . . . . 52 R H . 18011 1 448 . 1 1 53 53 ARG H H 1 8.320 0.05 . 1 . . . . 53 R H . 18011 1 449 . 1 1 53 53 ARG HA H 1 3.976 0.05 . 1 . . . . 53 R HA . 18011 1 450 . 1 1 53 53 ARG HB2 H 1 2.088 0.05 . 2 . . . . 53 R HB2 . 18011 1 451 . 1 1 53 53 ARG HD2 H 1 3.231 0.05 . 2 . . . . 53 R HD2 . 18011 1 452 . 1 1 53 53 ARG HD3 H 1 3.466 0.05 . 2 . . . . 53 R HD3 . 18011 1 453 . 1 1 53 53 ARG C C 13 177.955 0.2 . 1 . . . . 53 R CO . 18011 1 454 . 1 1 53 53 ARG CA C 13 61.948 0.1 . 1 . . . . 53 R CA . 18011 1 455 . 1 1 53 53 ARG CB C 13 32.339 0.1 . 1 . . . . 53 R CB . 18011 1 456 . 1 1 53 53 ARG CG C 13 29.274 0.1 . 1 . . . . 53 R CG . 18011 1 457 . 1 1 53 53 ARG CD C 13 43.255 0.1 . 1 . . . . 53 R CD . 18011 1 458 . 1 1 54 54 ILE H H 1 7.550 0.05 . 1 . . . . 54 I H . 18011 1 459 . 1 1 54 54 ILE HA H 1 3.599 0.05 . 1 . . . . 54 I HA . 18011 1 460 . 1 1 54 54 ILE HB H 1 2.043 0.05 . 1 . . . . 54 I HB . 18011 1 461 . 1 1 54 54 ILE HG12 H 1 0.908 0.05 . 2 . . . . 54 I HG12 . 18011 1 462 . 1 1 54 54 ILE HG13 H 1 1.757 0.05 . 2 . . . . 54 I HG13 . 18011 1 463 . 1 1 54 54 ILE HG21 H 1 0.877 0.05 . 1 . . . . 54 I HG2 . 18011 1 464 . 1 1 54 54 ILE HG22 H 1 0.877 0.05 . 1 . . . . 54 I HG2 . 18011 1 465 . 1 1 54 54 ILE HG23 H 1 0.877 0.05 . 1 . . . . 54 I HG2 . 18011 1 466 . 1 1 54 54 ILE HD11 H 1 0.760 0.05 . 1 . . . . 54 I HD1 . 18011 1 467 . 1 1 54 54 ILE HD12 H 1 0.760 0.05 . 1 . . . . 54 I HD1 . 18011 1 468 . 1 1 54 54 ILE HD13 H 1 0.760 0.05 . 1 . . . . 54 I HD1 . 18011 1 469 . 1 1 54 54 ILE C C 13 177.809 0.1 . 1 . . . . 54 I CO . 18011 1 470 . 1 1 54 54 ILE CA C 13 65.163 0.1 . 1 . . . . 54 I CA . 18011 1 471 . 1 1 54 54 ILE CB C 13 38.166 0.1 . 1 . . . . 54 I CB . 18011 1 472 . 1 1 54 54 ILE CG1 C 13 29.592 0.1 . 1 . . . . 54 I CG1 . 18011 1 473 . 1 1 54 54 ILE CG2 C 13 17.116 0.1 . 1 . . . . 54 I CG2 . 18011 1 474 . 1 1 54 54 ILE CD1 C 13 13.905 0.1 . 1 . . . . 54 I CD1 . 18011 1 475 . 1 1 54 54 ILE N N 15 120.015 0.2 . 1 . . . . 54 I N . 18011 1 476 . 1 1 55 55 GLU H H 1 7.790 0.05 . 1 . . . . 55 E H . 18011 1 477 . 1 1 55 55 GLU HA H 1 3.982 0.05 . 1 . . . . 55 E HA . 18011 1 478 . 1 1 55 55 GLU HB2 H 1 2.112 0.05 . 2 . . . . 55 E HB2 . 18011 1 479 . 1 1 55 55 GLU HG2 H 1 2.329 0.05 . 2 . . . . 55 E HG2 . 18011 1 480 . 1 1 55 55 GLU CA C 13 59.341 0.1 . 1 . . . . 55 E CA . 18011 1 481 . 1 1 55 55 GLU CB C 13 29.359 0.1 . 1 . . . . 55 E CB . 18011 1 482 . 1 1 55 55 GLU CG C 13 36.163 0.1 . 1 . . . . 55 E CG . 18011 1 483 . 1 1 55 55 GLU N N 15 119.405 0.2 . 1 . . . . 55 E N . 18011 1 484 . 1 1 56 56 LEU H H 1 8.271 0.05 . 1 . . . . 56 L H . 18011 1 485 . 1 1 56 56 LEU HA H 1 4.379 0.05 . 1 . . . . 56 L HA . 18011 1 486 . 1 1 56 56 LEU HB2 H 1 1.883 0.05 . 2 . . . . 56 L HB2 . 18011 1 487 . 1 1 56 56 LEU HB3 H 1 1.999 0.05 . 2 . . . . 56 L HB3 . 18011 1 488 . 1 1 56 56 LEU HG H 1 1.966 0.05 . 1 . . . . 56 L HG . 18011 1 489 . 1 1 56 56 LEU HD11 H 1 1.118 0.05 . 2 . . . . 56 L HD1 . 18011 1 490 . 1 1 56 56 LEU HD12 H 1 1.118 0.05 . 2 . . . . 56 L HD1 . 18011 1 491 . 1 1 56 56 LEU HD13 H 1 1.118 0.05 . 2 . . . . 56 L HD1 . 18011 1 492 . 1 1 56 56 LEU HD21 H 1 1.182 0.05 . 2 . . . . 56 L HD2 . 18011 1 493 . 1 1 56 56 LEU HD22 H 1 1.182 0.05 . 2 . . . . 56 L HD2 . 18011 1 494 . 1 1 56 56 LEU HD23 H 1 1.182 0.05 . 2 . . . . 56 L HD2 . 18011 1 495 . 1 1 56 56 LEU CB C 13 42.884 0.1 . 1 . . . . 56 L CB . 18011 1 496 . 1 1 56 56 LEU CG C 13 27.416 0.1 . 1 . . . . 56 L CG . 18011 1 497 . 1 1 56 56 LEU CD1 C 13 25.840 0.1 . 2 . . . . 56 L CD1 . 18011 1 498 . 1 1 56 56 LEU CD2 C 13 24.645 0.1 . 2 . . . . 56 L CD2 . 18011 1 499 . 1 1 57 57 PHE H H 1 8.271 0.05 . 1 . . . . 57 F H . 18011 1 500 . 1 1 57 57 PHE HA H 1 3.267 0.05 . 1 . . . . 57 F HA . 18011 1 501 . 1 1 57 57 PHE HB2 H 1 2.787 0.05 . 2 . . . . 57 F HB2 . 18011 1 502 . 1 1 57 57 PHE HD1 H 1 6.134 0.05 . 3 . . . . 57 F HD1 . 18011 1 503 . 1 1 57 57 PHE HD2 H 1 6.134 0.05 . 3 . . . . 57 F HD2 . 18011 1 504 . 1 1 57 57 PHE HE1 H 1 6.560 0.05 . 3 . . . . 57 F HE1 . 18011 1 505 . 1 1 57 57 PHE HE2 H 1 6.560 0.05 . 3 . . . . 57 F HE2 . 18011 1 506 . 1 1 57 57 PHE HZ H 1 6.834 0.05 . 1 . . . . 57 F HZ . 18011 1 507 . 1 1 57 57 PHE C C 13 176.896 0.1 . 1 . . . . 57 F CO . 18011 1 508 . 1 1 57 57 PHE CA C 13 61.755 0.1 . 1 . . . . 57 F CA . 18011 1 509 . 1 1 57 57 PHE CB C 13 38.769 0.1 . 1 . . . . 57 F CB . 18011 1 510 . 1 1 58 58 LYS H H 1 7.843 0.05 . 1 . . . . 58 K H . 18011 1 511 . 1 1 58 58 LYS HA H 1 3.812 0.05 . 1 . . . . 58 K HA . 18011 1 512 . 1 1 58 58 LYS HB2 H 1 1.858 0.05 . 2 . . . . 58 K HB2 . 18011 1 513 . 1 1 58 58 LYS HG2 H 1 1.395 0.05 . 2 . . . . 58 K HG2 . 18011 1 514 . 1 1 58 58 LYS HD2 H 1 1.602 0.05 . 2 . . . . 58 K HD2 . 18011 1 515 . 1 1 58 58 LYS HE2 H 1 2.849 0.05 . 2 . . . . 58 K HE2 . 18011 1 516 . 1 1 58 58 LYS C C 13 178.979 0.1 . 1 . . . . 58 K CO . 18011 1 517 . 1 1 58 58 LYS CA C 13 59.383 0.1 . 1 . . . . 58 K CA . 18011 1 518 . 1 1 58 58 LYS CB C 13 32.065 0.1 . 1 . . . . 58 K CB . 18011 1 519 . 1 1 58 58 LYS CG C 13 25.459 0.1 . 1 . . . . 58 K CG . 18011 1 520 . 1 1 58 58 LYS CD C 13 29.510 0.1 . 1 . . . . 58 K CD . 18011 1 521 . 1 1 58 58 LYS CE C 13 42.097 0.1 . 1 . . . . 58 K CE . 18011 1 522 . 1 1 58 58 LYS N N 15 116.187 0.2 . 1 . . . . 58 K N . 18011 1 523 . 1 1 59 59 GLN H H 1 7.712 0.05 . 1 . . . . 59 Q H . 18011 1 524 . 1 1 59 59 GLN HA H 1 3.912 0.05 . 1 . . . . 59 Q HA . 18011 1 525 . 1 1 59 59 GLN HB2 H 1 2.135 0.05 . 2 . . . . 59 Q HB2 . 18011 1 526 . 1 1 59 59 GLN HB3 H 1 2.401 0.05 . 2 . . . . 59 Q HB3 . 18011 1 527 . 1 1 59 59 GLN HG2 H 1 2.346 0.05 . 2 . . . . 59 Q HG2 . 18011 1 528 . 1 1 59 59 GLN HG3 H 1 2.626 0.05 . 2 . . . . 59 Q HG3 . 18011 1 529 . 1 1 59 59 GLN HE21 H 1 6.717 0.05 . 2 . . . . 59 Q HE21 . 18011 1 530 . 1 1 59 59 GLN HE22 H 1 7.139 0.05 . 2 . . . . 59 Q HE22 . 18011 1 531 . 1 1 59 59 GLN C C 13 177.899 0.1 . 1 . . . . 59 Q CO . 18011 1 532 . 1 1 59 59 GLN CA C 13 58.518 0.1 . 1 . . . . 59 Q CA . 18011 1 533 . 1 1 59 59 GLN CB C 13 29.177 0.1 . 1 . . . . 59 Q CB . 18011 1 534 . 1 1 59 59 GLN CG C 13 34.491 0.1 . 1 . . . . 59 Q CG . 18011 1 535 . 1 1 59 59 GLN N N 15 117.124 0.2 . 1 . . . . 59 Q N . 18011 1 536 . 1 1 59 59 GLN NE2 N 15 110.888 0.2 . 1 . . . . 59 Q NE2 . 18011 1 537 . 1 1 60 60 PHE H H 1 8.025 0.05 . 1 . . . . 60 F H . 18011 1 538 . 1 1 60 60 PHE HA H 1 4.774 0.05 . 1 . . . . 60 F HA . 18011 1 539 . 1 1 60 60 PHE HB2 H 1 2.551 0.05 . 2 . . . . 60 F HB2 . 18011 1 540 . 1 1 60 60 PHE HB3 H 1 2.890 0.05 . 2 . . . . 60 F HB3 . 18011 1 541 . 1 1 60 60 PHE HD1 H 1 7.122 0.05 . 3 . . . . 60 F HD1 . 18011 1 542 . 1 1 60 60 PHE HD2 H 1 7.122 0.05 . 3 . . . . 60 F HD2 . 18011 1 543 . 1 1 60 60 PHE HE1 H 1 7.581 0.05 . 3 . . . . 60 F HE1 . 18011 1 544 . 1 1 60 60 PHE HE2 H 1 7.581 0.05 . 3 . . . . 60 F HE2 . 18011 1 545 . 1 1 60 60 PHE HZ H 1 8.510 0.05 . 1 . . . . 60 F HZ . 18011 1 546 . 1 1 60 60 PHE C C 13 176.754 0.1 . 1 . . . . 60 F CO . 18011 1 547 . 1 1 60 60 PHE CA C 13 59.561 0.1 . 1 . . . . 60 F CA . 18011 1 548 . 1 1 60 60 PHE CB C 13 40.644 0.1 . 1 . . . . 60 F CB . 18011 1 549 . 1 1 60 60 PHE N N 15 118.317 0.2 . 1 . . . . 60 F N . 18011 1 550 . 1 1 61 61 ASP H H 1 7.532 0.05 . 1 . . . . 61 D H . 18011 1 551 . 1 1 61 61 ASP HA H 1 4.435 0.05 . 1 . . . . 61 D HA . 18011 1 552 . 1 1 61 61 ASP HB2 H 1 2.512 0.05 . 2 . . . . 61 D HB2 . 18011 1 553 . 1 1 61 61 ASP C C 13 176.612 0.1 . 1 . . . . 61 D CO . 18011 1 554 . 1 1 61 61 ASP CA C 13 52.356 0.1 . 1 . . . . 61 D CA . 18011 1 555 . 1 1 61 61 ASP CB C 13 38.655 0.1 . 1 . . . . 61 D CB . 18011 1 556 . 1 1 61 61 ASP N N 15 118.820 0.2 . 1 . . . . 61 D N . 18011 1 557 . 1 1 62 62 THR H H 1 8.014 0.05 . 1 . . . . 62 T H . 18011 1 558 . 1 1 62 62 THR HA H 1 3.917 0.05 . 1 . . . . 62 T HA . 18011 1 559 . 1 1 62 62 THR HB H 1 4.130 0.05 . 1 . . . . 62 T HB . 18011 1 560 . 1 1 62 62 THR HG21 H 1 1.181 0.05 . 1 . . . . 62 T HG2 . 18011 1 561 . 1 1 62 62 THR HG22 H 1 1.181 0.05 . 1 . . . . 62 T HG2 . 18011 1 562 . 1 1 62 62 THR HG23 H 1 1.181 0.05 . 1 . . . . 62 T HG2 . 18011 1 563 . 1 1 62 62 THR C C 13 176.419 0.1 . 1 . . . . 62 T CO . 18011 1 564 . 1 1 62 62 THR CA C 13 64.328 0.1 . 1 . . . . 62 T CA . 18011 1 565 . 1 1 62 62 THR CB C 13 68.606 0.1 . 1 . . . . 62 T CB . 18011 1 566 . 1 1 62 62 THR CG2 C 13 22.022 0.1 . 1 . . . . 62 T CG2 . 18011 1 567 . 1 1 62 62 THR N N 15 117.480 0.2 . 1 . . . . 62 T N . 18011 1 568 . 1 1 63 63 ASN H H 1 8.502 0.05 . 1 . . . . 63 N H . 18011 1 569 . 1 1 63 63 ASN HA H 1 4.785 0.05 . 1 . . . . 63 N HA . 18011 1 570 . 1 1 63 63 ASN HB2 H 1 2.884 0.05 . 2 . . . . 63 N HB2 . 18011 1 571 . 1 1 63 63 ASN HB3 H 1 2.925 0.05 . 2 . . . . 63 N HB3 . 18011 1 572 . 1 1 63 63 ASN HD21 H 1 7.000 0.05 . 2 . . . . 63 N HD21 . 18011 1 573 . 1 1 63 63 ASN HD22 H 1 7.759 0.05 . 2 . . . . 63 N HD22 . 18011 1 574 . 1 1 63 63 ASN C C 13 176.065 0.1 . 1 . . . . 63 N CO . 18011 1 575 . 1 1 63 63 ASN CA C 13 53.355 0.1 . 1 . . . . 63 N CA . 18011 1 576 . 1 1 63 63 ASN CB C 13 39.163 0.1 . 1 . . . . 63 N CB . 18011 1 577 . 1 1 63 63 ASN N N 15 116.922 0.2 . 1 . . . . 63 N N . 18011 1 578 . 1 1 63 63 ASN ND2 N 15 115.155 0.2 . 1 . . . . 63 N ND2 . 18011 1 579 . 1 1 64 64 GLY H H 1 7.812 0.05 . 1 . . . . 64 G H . 18011 1 580 . 1 1 64 64 GLY HA2 H 1 3.740 0.05 . 2 . . . . 64 G HA2 . 18011 1 581 . 1 1 64 64 GLY C C 13 175.439 0.1 . 1 . . . . 64 G CO . 18011 1 582 . 1 1 64 64 GLY CA C 13 47.205 0.1 . 1 . . . . 64 G CA . 18011 1 583 . 1 1 64 64 GLY N N 15 110.532 0.2 . 1 . . . . 64 G N . 18011 1 584 . 1 1 65 65 THR H H 1 8.515 0.05 . 1 . . . . 65 T H . 18011 1 585 . 1 1 65 65 THR HA H 1 4.279 0.05 . 1 . . . . 65 T HA . 18011 1 586 . 1 1 65 65 THR HB H 1 4.298 0.05 . 1 . . . . 65 T HB . 18011 1 587 . 1 1 65 65 THR HG21 H 1 1.110 0.05 . 1 . . . . 65 T HG2 . 18011 1 588 . 1 1 65 65 THR HG22 H 1 1.110 0.05 . 1 . . . . 65 T HG2 . 18011 1 589 . 1 1 65 65 THR HG23 H 1 1.110 0.05 . 1 . . . . 65 T HG2 . 18011 1 590 . 1 1 65 65 THR C C 13 176.791 0.1 . 1 . . . . 65 T CO . 18011 1 591 . 1 1 65 65 THR CA C 13 61.959 0.1 . 1 . . . . 65 T CA . 18011 1 592 . 1 1 65 65 THR CB C 13 70.541 0.1 . 1 . . . . 65 T CB . 18011 1 593 . 1 1 65 65 THR CG2 C 13 21.952 0.1 . 1 . . . . 65 T CG2 . 18011 1 594 . 1 1 65 65 THR N N 15 111.337 0.2 . 1 . . . . 65 T N . 18011 1 595 . 1 1 66 66 GLY H H 1 10.504 0.05 . 1 . . . . 66 G H . 18011 1 596 . 1 1 66 66 GLY HA2 H 1 3.539 0.05 . 2 . . . . 66 G HA2 . 18011 1 597 . 1 1 66 66 GLY HA3 H 1 4.155 0.05 . 2 . . . . 66 G HA3 . 18011 1 598 . 1 1 66 66 GLY C C 13 172.851 0.1 . 1 . . . . 66 G CO . 18011 1 599 . 1 1 66 66 GLY CA C 13 45.604 0.1 . 1 . . . . 66 G CA . 18011 1 600 . 1 1 66 66 GLY N N 15 115.676 0.2 . 1 . . . . 66 G N . 18011 1 601 . 1 1 67 67 LYS H H 1 7.548 0.05 . 1 . . . . 67 K H . 18011 1 602 . 1 1 67 67 LYS HA H 1 5.015 0.05 . 1 . . . . 67 K HA . 18011 1 603 . 1 1 67 67 LYS HB2 H 1 1.582 0.05 . 2 . . . . 67 K HB2 . 18011 1 604 . 1 1 67 67 LYS HG2 H 1 1.309 0.05 . 2 . . . . 67 K HG2 . 18011 1 605 . 1 1 67 67 LYS HG3 H 1 1.339 0.05 . 2 . . . . 67 K HG3 . 18011 1 606 . 1 1 67 67 LYS HD2 H 1 1.566 0.05 . 2 . . . . 67 K HD2 . 18011 1 607 . 1 1 67 67 LYS HE2 H 1 2.908 0.05 . 2 . . . . 67 K HE2 . 18011 1 608 . 1 1 67 67 LYS C C 13 174.551 0.1 . 1 . . . . 67 K CO . 18011 1 609 . 1 1 67 67 LYS CA C 13 54.715 0.1 . 1 . . . . 67 K CA . 18011 1 610 . 1 1 67 67 LYS CB C 13 36.117 0.1 . 1 . . . . 67 K CB . 18011 1 611 . 1 1 67 67 LYS CG C 13 25.101 0.1 . 1 . . . . 67 K CG . 18011 1 612 . 1 1 67 67 LYS CD C 13 29.505 0.1 . 1 . . . . 67 K CD . 18011 1 613 . 1 1 67 67 LYS CE C 13 42.282 0.1 . 1 . . . . 67 K CE . 18011 1 614 . 1 1 67 67 LYS N N 15 117.790 0.2 . 1 . . . . 67 K N . 18011 1 615 . 1 1 68 68 LEU H H 1 9.119 0.05 . 1 . . . . 68 L H . 18011 1 616 . 1 1 68 68 LEU HA H 1 4.702 0.05 . 1 . . . . 68 L HA . 18011 1 617 . 1 1 68 68 LEU HB2 H 1 1.544 0.05 . 2 . . . . 68 L HB2 . 18011 1 618 . 1 1 68 68 LEU HB3 H 1 1.759 0.05 . 2 . . . . 68 L HB3 . 18011 1 619 . 1 1 68 68 LEU HG H 1 0.534 0.05 . 1 . . . . 68 L HG . 18011 1 620 . 1 1 68 68 LEU HD11 H 1 0.527 0.05 . 2 . . . . 68 L HD1 . 18011 1 621 . 1 1 68 68 LEU HD12 H 1 0.527 0.05 . 2 . . . . 68 L HD1 . 18011 1 622 . 1 1 68 68 LEU HD13 H 1 0.527 0.05 . 2 . . . . 68 L HD1 . 18011 1 623 . 1 1 68 68 LEU HD21 H 1 1.463 0.05 . 2 . . . . 68 L HD2 . 18011 1 624 . 1 1 68 68 LEU HD22 H 1 1.463 0.05 . 2 . . . . 68 L HD2 . 18011 1 625 . 1 1 68 68 LEU HD23 H 1 1.463 0.05 . 2 . . . . 68 L HD2 . 18011 1 626 . 1 1 68 68 LEU C C 13 176.389 0.1 . 1 . . . . 68 L CO . 18011 1 627 . 1 1 68 68 LEU CA C 13 53.536 0.1 . 1 . . . . 68 L CA . 18011 1 628 . 1 1 68 68 LEU CB C 13 45.119 0.1 . 1 . . . . 68 L CB . 18011 1 629 . 1 1 68 68 LEU CG C 13 27.792 0.1 . 1 . . . . 68 L CG . 18011 1 630 . 1 1 68 68 LEU CD1 C 13 23.302 0.1 . 2 . . . . 68 L CD1 . 18011 1 631 . 1 1 68 68 LEU CD2 C 13 26.971 0.1 . 2 . . . . 68 L CD2 . 18011 1 632 . 1 1 68 68 LEU N N 15 121.460 0.2 . 1 . . . . 68 L N . 18011 1 633 . 1 1 69 69 GLY H H 1 8.622 0.05 . 1 . . . . 69 G H . 18011 1 634 . 1 1 69 69 GLY HA2 H 1 3.906 0.05 . 2 . . . . 69 G HA2 . 18011 1 635 . 1 1 69 69 GLY HA3 H 1 4.945 0.05 . 2 . . . . 69 G HA3 . 18011 1 636 . 1 1 69 69 GLY C C 13 174.147 0.1 . 1 . . . . 69 G CO . 18011 1 637 . 1 1 69 69 GLY CA C 13 43.687 0.1 . 1 . . . . 69 G CA . 18011 1 638 . 1 1 69 69 GLY N N 15 109.694 0.2 . 1 . . . . 69 G N . 18011 1 639 . 1 1 70 70 PHE H H 1 9.099 0.05 . 1 . . . . 70 F H . 18011 1 640 . 1 1 70 70 PHE HA H 1 3.474 0.05 . 1 . . . . 70 F HA . 18011 1 641 . 1 1 70 70 PHE HB2 H 1 2.362 0.05 . 2 . . . . 70 F HB2 . 18011 1 642 . 1 1 70 70 PHE HB3 H 1 2.581 0.05 . 2 . . . . 70 F HB3 . 18011 1 643 . 1 1 70 70 PHE HD1 H 1 6.533 0.05 . 3 . . . . 70 F HD1 . 18011 1 644 . 1 1 70 70 PHE HD2 H 1 6.533 0.05 . 3 . . . . 70 F HD2 . 18011 1 645 . 1 1 70 70 PHE HE1 H 1 7.046 0.05 . 3 . . . . 70 F HE1 . 18011 1 646 . 1 1 70 70 PHE HE2 H 1 7.046 0.05 . 3 . . . . 70 F HE2 . 18011 1 647 . 1 1 70 70 PHE HZ H 1 8.213 0.05 . 1 . . . . 70 F HZ . 18011 1 648 . 1 1 70 70 PHE C C 13 176.731 0.1 . 1 . . . . 70 F CO . 18011 1 649 . 1 1 70 70 PHE CA C 13 62.348 0.1 . 1 . . . . 70 F CA . 18011 1 650 . 1 1 70 70 PHE CB C 13 38.820 0.1 . 1 . . . . 70 F CB . 18011 1 651 . 1 1 70 70 PHE N N 15 121.798 0.2 . 1 . . . . 70 F N . 18011 1 652 . 1 1 71 71 ARG H H 1 8.723 0.05 . 1 . . . . 71 R H . 18011 1 653 . 1 1 71 71 ARG HA H 1 3.619 0.05 . 1 . . . . 71 R HA . 18011 1 654 . 1 1 71 71 ARG HB2 H 1 1.795 0.05 . 2 . . . . 71 R HB2 . 18011 1 655 . 1 1 71 71 ARG HG2 H 1 1.702 0.05 . 2 . . . . 71 R HG2 . 18011 1 656 . 1 1 71 71 ARG HD2 H 1 3.198 0.05 . 2 . . . . 71 R HD2 . 18011 1 657 . 1 1 71 71 ARG C C 13 177.985 0.1 . 1 . . . . 71 R CO . 18011 1 658 . 1 1 71 71 ARG CA C 13 59.235 0.1 . 1 . . . . 71 R CA . 18011 1 659 . 1 1 71 71 ARG CB C 13 29.402 0.1 . 1 . . . . 71 R CB . 18011 1 660 . 1 1 71 71 ARG CG C 13 26.633 0.1 . 1 . . . . 71 R CG . 18011 1 661 . 1 1 71 71 ARG CD C 13 42.953 0.1 . 1 . . . . 71 R CD . 18011 1 662 . 1 1 71 71 ARG N N 15 116.876 0.2 . 1 . . . . 71 R N . 18011 1 663 . 1 1 72 72 GLU H H 1 7.690 0.05 . 1 . . . . 72 E H . 18011 1 664 . 1 1 72 72 GLU HA H 1 4.170 0.05 . 1 . . . . 72 E HA . 18011 1 665 . 1 1 72 72 GLU HB2 H 1 2.110 0.05 . 2 . . . . 72 E HB2 . 18011 1 666 . 1 1 72 72 GLU HG2 H 1 2.329 0.05 . 2 . . . . 72 E HG2 . 18011 1 667 . 1 1 72 72 GLU C C 13 181.075 0.1 . 1 . . . . 72 E CO . 18011 1 668 . 1 1 72 72 GLU CA C 13 60.539 0.1 . 1 . . . . 72 E CA . 18011 1 669 . 1 1 72 72 GLU CB C 13 29.987 0.1 . 1 . . . . 72 E CB . 18011 1 670 . 1 1 72 72 GLU CG C 13 37.991 0.1 . 1 . . . . 72 E CG . 18011 1 671 . 1 1 72 72 GLU N N 15 117.155 0.2 . 1 . . . . 72 E N . 18011 1 672 . 1 1 73 73 VAL H H 1 8.113 0.05 . 1 . . . . 73 V H . 18011 1 673 . 1 1 73 73 VAL HA H 1 4.041 0.05 . 1 . . . . 73 V HA . 18011 1 674 . 1 1 73 73 VAL HB H 1 2.111 0.05 . 1 . . . . 73 V HB . 18011 1 675 . 1 1 73 73 VAL HG11 H 1 1.015 0.05 . 2 . . . . 73 V HG1 . 18011 1 676 . 1 1 73 73 VAL HG12 H 1 1.015 0.05 . 2 . . . . 73 V HG1 . 18011 1 677 . 1 1 73 73 VAL HG13 H 1 1.015 0.05 . 2 . . . . 73 V HG1 . 18011 1 678 . 1 1 73 73 VAL HG21 H 1 1.183 0.05 . 2 . . . . 73 V HG2 . 18011 1 679 . 1 1 73 73 VAL HG22 H 1 1.183 0.05 . 2 . . . . 73 V HG2 . 18011 1 680 . 1 1 73 73 VAL HG23 H 1 1.183 0.05 . 2 . . . . 73 V HG2 . 18011 1 681 . 1 1 73 73 VAL C C 13 178.093 0.1 . 1 . . . . 73 V CO . 18011 1 682 . 1 1 73 73 VAL CA C 13 66.945 0.1 . 1 . . . . 73 V CA . 18011 1 683 . 1 1 73 73 VAL CB C 13 31.455 0.1 . 1 . . . . 73 V CB . 18011 1 684 . 1 1 73 73 VAL CG1 C 13 22.172 0.1 . 2 . . . . 73 V CG1 . 18011 1 685 . 1 1 73 73 VAL CG2 C 13 23.832 0.1 . 2 . . . . 73 V CG2 . 18011 1 686 . 1 1 73 73 VAL N N 15 120.365 0.2 . 1 . . . . 73 V N . 18011 1 687 . 1 1 74 74 LEU H H 1 8.716 0.05 . 1 . . . . 74 L H . 18011 1 688 . 1 1 74 74 LEU HA H 1 3.763 0.05 . 1 . . . . 74 L HA . 18011 1 689 . 1 1 74 74 LEU HB2 H 1 0.700 0.05 . 2 . . . . 74 L HB2 . 18011 1 690 . 1 1 74 74 LEU HB3 H 1 1.666 0.05 . 2 . . . . 74 L HB3 . 18011 1 691 . 1 1 74 74 LEU HG H 1 1.705 0.05 . 1 . . . . 74 L HG . 18011 1 692 . 1 1 74 74 LEU HD11 H 1 0.737 0.05 . 2 . . . . 74 L HD1 . 18011 1 693 . 1 1 74 74 LEU HD12 H 1 0.737 0.05 . 2 . . . . 74 L HD1 . 18011 1 694 . 1 1 74 74 LEU HD13 H 1 0.737 0.05 . 2 . . . . 74 L HD1 . 18011 1 695 . 1 1 74 74 LEU C C 13 178.320 0.1 . 1 . . . . 74 L CO . 18011 1 696 . 1 1 74 74 LEU CA C 13 59.036 0.1 . 1 . . . . 74 L CA . 18011 1 697 . 1 1 74 74 LEU CB C 13 40.762 0.1 . 1 . . . . 74 L CB . 18011 1 698 . 1 1 74 74 LEU CG C 13 26.392 0.1 . 1 . . . . 74 L CG . 18011 1 699 . 1 1 74 74 LEU CD1 C 13 24.001 0.1 . 2 . . . . 74 L CD1 . 18011 1 700 . 1 1 74 74 LEU N N 15 123.750 0.2 . 1 . . . . 74 L N . 18011 1 701 . 1 1 75 75 ASP H H 1 8.651 0.05 . 1 . . . . 75 D H . 18011 1 702 . 1 1 75 75 ASP HA H 1 4.548 0.05 . 1 . . . . 75 D HA . 18011 1 703 . 1 1 75 75 ASP HB2 H 1 2.551 0.05 . 2 . . . . 75 D HB2 . 18011 1 704 . 1 1 75 75 ASP HB3 H 1 2.700 0.05 . 2 . . . . 75 D HB3 . 18011 1 705 . 1 1 75 75 ASP C C 13 180.393 0.1 . 1 . . . . 75 D CO . 18011 1 706 . 1 1 75 75 ASP CA C 13 57.986 0.1 . 1 . . . . 75 D CA . 18011 1 707 . 1 1 75 75 ASP CB C 13 40.128 0.1 . 1 . . . . 75 D CB . 18011 1 708 . 1 1 75 75 ASP N N 15 117.471 0.2 . 1 . . . . 75 D N . 18011 1 709 . 1 1 76 76 GLY H H 1 7.786 0.05 . 1 . . . . 76 G H . 18011 1 710 . 1 1 76 76 GLY HA2 H 1 2.649 0.05 . 2 . . . . 76 G HA2 . 18011 1 711 . 1 1 76 76 GLY HA3 H 1 3.627 0.05 . 2 . . . . 76 G HA3 . 18011 1 712 . 1 1 76 76 GLY C C 13 176.927 0.1 . 1 . . . . 76 G CO . 18011 1 713 . 1 1 76 76 GLY CA C 13 46.847 0.1 . 1 . . . . 76 G CA . 18011 1 714 . 1 1 76 76 GLY N N 15 106.885 0.2 . 1 . . . . 76 G N . 18011 1 715 . 1 1 77 77 CYS H H 1 8.494 0.05 . 1 . . . . 77 C H . 18011 1 716 . 1 1 77 77 CYS HA H 1 4.187 0.05 . 1 . . . . 77 C HA . 18011 1 717 . 1 1 77 77 CYS HB2 H 1 3.372 0.05 . 2 . . . . 77 C HB2 . 18011 1 718 . 1 1 77 77 CYS C C 13 176.238 0.1 . 1 . . . . 77 C CO . 18011 1 719 . 1 1 77 77 CYS CA C 13 66.275 0.1 . 1 . . . . 77 C CA . 18011 1 720 . 1 1 77 77 CYS CB C 13 26.744 0.1 . 1 . . . . 77 C CB . 18011 1 721 . 1 1 77 77 CYS N N 15 122.970 0.2 . 1 . . . . 77 C N . 18011 1 722 . 1 1 78 78 TYR H H 1 7.947 0.05 . 1 . . . . 78 Y H . 18011 1 723 . 1 1 78 78 TYR HA H 1 4.303 0.05 . 1 . . . . 78 Y HA . 18011 1 724 . 1 1 78 78 TYR HB2 H 1 2.991 0.05 . 2 . . . . 78 Y HB2 . 18011 1 725 . 1 1 78 78 TYR HD1 H 1 7.186 0.05 . 3 . . . . 78 Y HD1 . 18011 1 726 . 1 1 78 78 TYR HD2 H 1 7.186 0.05 . 3 . . . . 78 Y HD2 . 18011 1 727 . 1 1 78 78 TYR HE1 H 1 6.849 0.05 . 3 . . . . 78 Y HE1 . 18011 1 728 . 1 1 78 78 TYR HE2 H 1 6.849 0.05 . 3 . . . . 78 Y HE2 . 18011 1 729 . 1 1 78 78 TYR C C 13 179.145 0.1 . 1 . . . . 78 Y CO . 18011 1 730 . 1 1 78 78 TYR CA C 13 62.389 0.1 . 1 . . . . 78 Y CA . 18011 1 731 . 1 1 78 78 TYR CB C 13 39.444 0.1 . 1 . . . . 78 Y CB . 18011 1 732 . 1 1 78 78 TYR N N 15 117.308 0.2 . 1 . . . . 78 Y N . 18011 1 733 . 1 1 79 79 GLY H H 1 8.815 0.05 . 1 . . . . 79 G H . 18011 1 734 . 1 1 79 79 GLY HA2 H 1 3.944 0.05 . 2 . . . . 79 G HA2 . 18011 1 735 . 1 1 79 79 GLY C C 13 174.728 0.1 . 1 . . . . 79 G CO . 18011 1 736 . 1 1 79 79 GLY CA C 13 47.465 0.1 . 1 . . . . 79 G CA . 18011 1 737 . 1 1 79 79 GLY N N 15 105.483 0.2 . 1 . . . . 79 G N . 18011 1 738 . 1 1 80 80 ILE H H 1 8.357 0.05 . 1 . . . . 80 I H . 18011 1 739 . 1 1 80 80 ILE HA H 1 4.062 0.05 . 1 . . . . 80 I HA . 18011 1 740 . 1 1 80 80 ILE HB H 1 1.754 0.05 . 1 . . . . 80 I HB . 18011 1 741 . 1 1 80 80 ILE HG12 H 1 0.902 0.05 . 2 . . . . 80 I HG12 . 18011 1 742 . 1 1 80 80 ILE HG13 H 1 1.425 0.05 . 2 . . . . 80 I HG13 . 18011 1 743 . 1 1 80 80 ILE HG21 H 1 0.833 0.05 . 1 . . . . 80 I HG2 . 18011 1 744 . 1 1 80 80 ILE HG22 H 1 0.833 0.05 . 1 . . . . 80 I HG2 . 18011 1 745 . 1 1 80 80 ILE HG23 H 1 0.833 0.05 . 1 . . . . 80 I HG2 . 18011 1 746 . 1 1 80 80 ILE HD11 H 1 0.350 0.05 . 1 . . . . 80 I HD1 . 18011 1 747 . 1 1 80 80 ILE HD12 H 1 0.350 0.05 . 1 . . . . 80 I HD1 . 18011 1 748 . 1 1 80 80 ILE HD13 H 1 0.350 0.05 . 1 . . . . 80 I HD1 . 18011 1 749 . 1 1 80 80 ILE C C 13 178.115 0.1 . 1 . . . . 80 I CO . 18011 1 750 . 1 1 80 80 ILE CA C 13 62.710 0.1 . 1 . . . . 80 I CA . 18011 1 751 . 1 1 80 80 ILE CB C 13 38.218 0.1 . 1 . . . . 80 I CB . 18011 1 752 . 1 1 80 80 ILE CG1 C 13 27.429 0.1 . 1 . . . . 80 I CG1 . 18011 1 753 . 1 1 80 80 ILE CG2 C 13 17.093 0.1 . 1 . . . . 80 I CG2 . 18011 1 754 . 1 1 80 80 ILE CD1 C 13 13.366 0.1 . 1 . . . . 80 I CD1 . 18011 1 755 . 1 1 80 80 ILE N N 15 119.386 0.2 . 1 . . . . 80 I N . 18011 1 756 . 1 1 81 81 LEU H H 1 6.893 0.05 . 1 . . . . 81 L H . 18011 1 757 . 1 1 81 81 LEU HA H 1 4.388 0.05 . 1 . . . . 81 L HA . 18011 1 758 . 1 1 81 81 LEU HB2 H 1 1.649 0.05 . 2 . . . . 81 L HB2 . 18011 1 759 . 1 1 81 81 LEU HB3 H 1 1.435 0.05 . 2 . . . . 81 L HB3 . 18011 1 760 . 1 1 81 81 LEU HG H 1 1.740 0.05 . 1 . . . . 81 L HG . 18011 1 761 . 1 1 81 81 LEU HD11 H 1 0.975 0.05 . 2 . . . . 81 L HD1 . 18011 1 762 . 1 1 81 81 LEU HD12 H 1 0.975 0.05 . 2 . . . . 81 L HD1 . 18011 1 763 . 1 1 81 81 LEU HD13 H 1 0.975 0.05 . 2 . . . . 81 L HD1 . 18011 1 764 . 1 1 81 81 LEU HD21 H 1 1.119 0.05 . 2 . . . . 81 L HD2 . 18011 1 765 . 1 1 81 81 LEU HD22 H 1 1.119 0.05 . 2 . . . . 81 L HD2 . 18011 1 766 . 1 1 81 81 LEU HD23 H 1 1.119 0.05 . 2 . . . . 81 L HD2 . 18011 1 767 . 1 1 81 81 LEU C C 13 175.495 0.1 . 1 . . . . 81 L CO . 18011 1 768 . 1 1 81 81 LEU CA C 13 55.212 0.1 . 1 . . . . 81 L CA . 18011 1 769 . 1 1 81 81 LEU CB C 13 43.910 0.1 . 1 . . . . 81 L CB . 18011 1 770 . 1 1 81 81 LEU CG C 13 26.971 0.1 . 1 . . . . 81 L CG . 18011 1 771 . 1 1 81 81 LEU CD1 C 13 22.994 0.1 . 2 . . . . 81 L CD1 . 18011 1 772 . 1 1 81 81 LEU CD2 C 13 26.537 0.1 . 2 . . . . 81 L CD2 . 18011 1 773 . 1 1 81 81 LEU N N 15 113.867 0.2 . 1 . . . . 81 L N . 18011 1 774 . 1 1 82 82 LYS H H 1 7.014 0.05 . 1 . . . . 82 K H . 18011 1 775 . 1 1 82 82 LYS HA H 1 4.582 0.05 . 1 . . . . 82 K HA . 18011 1 776 . 1 1 82 82 LYS HB2 H 1 1.689 0.05 . 2 . . . . 82 K HB2 . 18011 1 777 . 1 1 82 82 LYS HB3 H 1 2.027 0.05 . 2 . . . . 82 K HB3 . 18011 1 778 . 1 1 82 82 LYS HG2 H 1 1.229 0.05 . 2 . . . . 82 K HG2 . 18011 1 779 . 1 1 82 82 LYS HE2 H 1 2.939 0.05 . 2 . . . . 82 K HE2 . 18011 1 780 . 1 1 82 82 LYS C C 13 178.318 0.1 . 1 . . . . 82 K CO . 18011 1 781 . 1 1 82 82 LYS CA C 13 56.965 0.1 . 1 . . . . 82 K CA . 18011 1 782 . 1 1 82 82 LYS CB C 13 29.391 0.1 . 1 . . . . 82 K CB . 18011 1 783 . 1 1 82 82 LYS CG C 13 24.763 0.1 . 1 . . . . 82 K CG . 18011 1 784 . 1 1 82 82 LYS CD C 13 29.765 0.1 . 1 . . . . 82 K CD . 18011 1 785 . 1 1 82 82 LYS CE C 13 42.228 0.1 . 1 . . . . 82 K CE . 18011 1 786 . 1 1 82 82 LYS N N 15 117.907 0.2 . 1 . . . . 82 K N . 18011 1 787 . 1 1 83 83 LEU H H 1 8.335 0.05 . 1 . . . . 83 L H . 18011 1 788 . 1 1 83 83 LEU HA H 1 4.143 0.05 . 1 . . . . 83 L HA . 18011 1 789 . 1 1 83 83 LEU HB2 H 1 1.750 0.05 . 2 . . . . 83 L HB2 . 18011 1 790 . 1 1 83 83 LEU HG H 1 0.913 0.05 . 1 . . . . 83 L HG . 18011 1 791 . 1 1 83 83 LEU HD11 H 1 0.995 0.05 . 2 . . . . 83 L HD1 . 18011 1 792 . 1 1 83 83 LEU HD12 H 1 0.995 0.05 . 2 . . . . 83 L HD1 . 18011 1 793 . 1 1 83 83 LEU HD13 H 1 0.995 0.05 . 2 . . . . 83 L HD1 . 18011 1 794 . 1 1 83 83 LEU C C 13 177.756 0.1 . 1 . . . . 83 L CO . 18011 1 795 . 1 1 83 83 LEU CA C 13 57.159 0.1 . 1 . . . . 83 L CA . 18011 1 796 . 1 1 83 83 LEU CB C 13 42.012 0.1 . 1 . . . . 83 L CB . 18011 1 797 . 1 1 83 83 LEU CG C 13 26.216 0.1 . 1 . . . . 83 L CG . 18011 1 798 . 1 1 83 83 LEU CD1 C 13 23.618 0.1 . 2 . . . . 83 L CD1 . 18011 1 799 . 1 1 83 83 LEU N N 15 114.327 0.2 . 1 . . . . 83 L N . 18011 1 800 . 1 1 84 84 ASP H H 1 9.780 0.05 . 1 . . . . 84 D H . 18011 1 801 . 1 1 84 84 ASP HA H 1 4.752 0.05 . 1 . . . . 84 D HA . 18011 1 802 . 1 1 84 84 ASP HB2 H 1 2.540 0.05 . 2 . . . . 84 D HB2 . 18011 1 803 . 1 1 84 84 ASP HB3 H 1 2.936 0.05 . 2 . . . . 84 D HB3 . 18011 1 804 . 1 1 84 84 ASP C C 13 176.090 0.1 . 1 . . . . 84 D CO . 18011 1 805 . 1 1 84 84 ASP CA C 13 54.130 0.1 . 1 . . . . 84 D CA . 18011 1 806 . 1 1 84 84 ASP CB C 13 38.418 0.1 . 1 . . . . 84 D CB . 18011 1 807 . 1 1 84 84 ASP N N 15 116.658 0.2 . 1 . . . . 84 D N . 18011 1 808 . 1 1 85 85 GLU H H 1 7.533 0.05 . 1 . . . . 85 E H . 18011 1 809 . 1 1 85 85 GLU HA H 1 3.963 0.05 . 1 . . . . 85 E HA . 18011 1 810 . 1 1 85 85 GLU HB2 H 1 1.890 0.05 . 2 . . . . 85 E HB2 . 18011 1 811 . 1 1 85 85 GLU HB3 H 1 2.101 0.05 . 2 . . . . 85 E HB3 . 18011 1 812 . 1 1 85 85 GLU HG2 H 1 2.446 0.05 . 2 . . . . 85 E HG2 . 18011 1 813 . 1 1 85 85 GLU C C 13 176.747 0.1 . 1 . . . . 85 E CO . 18011 1 814 . 1 1 85 85 GLU CA C 13 58.313 0.1 . 1 . . . . 85 E CA . 18011 1 815 . 1 1 85 85 GLU CB C 13 30.887 0.1 . 1 . . . . 85 E CB . 18011 1 816 . 1 1 85 85 GLU CG C 13 36.385 0.1 . 1 . . . . 85 E CG . 18011 1 817 . 1 1 85 85 GLU N N 15 119.336 0.2 . 1 . . . . 85 E N . 18011 1 818 . 1 1 86 86 PHE H H 1 7.705 0.05 . 1 . . . . 86 F H . 18011 1 819 . 1 1 86 86 PHE HA H 1 3.895 0.05 . 1 . . . . 86 F HA . 18011 1 820 . 1 1 86 86 PHE HB2 H 1 2.494 0.05 . 2 . . . . 86 F HB2 . 18011 1 821 . 1 1 86 86 PHE HB3 H 1 2.743 0.05 . 2 . . . . 86 F HB3 . 18011 1 822 . 1 1 86 86 PHE HD1 H 1 6.373 0.05 . 3 . . . . 86 F HD1 . 18011 1 823 . 1 1 86 86 PHE HD2 H 1 6.373 0.05 . 3 . . . . 86 F HD2 . 18011 1 824 . 1 1 86 86 PHE HE1 H 1 6.851 0.05 . 3 . . . . 86 F HE1 . 18011 1 825 . 1 1 86 86 PHE HE2 H 1 6.851 0.05 . 3 . . . . 86 F HE2 . 18011 1 826 . 1 1 86 86 PHE HZ H 1 7.473 0.05 . 1 . . . . 86 F HZ . 18011 1 827 . 1 1 86 86 PHE C C 13 173.018 0.1 . 1 . . . . 86 F CO . 18011 1 828 . 1 1 86 86 PHE CA C 13 59.565 0.1 . 1 . . . . 86 F CA . 18011 1 829 . 1 1 86 86 PHE CB C 13 42.348 0.1 . 1 . . . . 86 F CB . 18011 1 830 . 1 1 86 86 PHE N N 15 114.373 0.2 . 1 . . . . 86 F N . 18011 1 831 . 1 1 87 87 THR H H 1 6.903 0.05 . 1 . . . . 87 T H . 18011 1 832 . 1 1 87 87 THR HA H 1 4.735 0.05 . 1 . . . . 87 T HA . 18011 1 833 . 1 1 87 87 THR HB H 1 4.068 0.05 . 1 . . . . 87 T HB . 18011 1 834 . 1 1 87 87 THR HG21 H 1 1.161 0.05 . 1 . . . . 87 T HG2 . 18011 1 835 . 1 1 87 87 THR HG22 H 1 1.161 0.05 . 1 . . . . 87 T HG2 . 18011 1 836 . 1 1 87 87 THR HG23 H 1 1.161 0.05 . 1 . . . . 87 T HG2 . 18011 1 837 . 1 1 87 87 THR C C 13 176.670 0.1 . 1 . . . . 87 T CO . 18011 1 838 . 1 1 87 87 THR CA C 13 58.212 0.1 . 1 . . . . 87 T CA . 18011 1 839 . 1 1 87 87 THR CB C 13 69.251 0.1 . 1 . . . . 87 T CB . 18011 1 840 . 1 1 87 87 THR CG2 C 13 21.046 0.1 . 1 . . . . 87 T CG2 . 18011 1 841 . 1 1 87 87 THR N N 15 107.870 0.2 . 1 . . . . 87 T N . 18011 1 842 . 1 1 88 88 THR H H 1 8.531 0.05 . 1 . . . . 88 T H . 18011 1 843 . 1 1 88 88 THR HA H 1 4.595 0.05 . 1 . . . . 88 T HA . 18011 1 844 . 1 1 88 88 THR HB H 1 4.421 0.05 . 1 . . . . 88 T HB . 18011 1 845 . 1 1 88 88 THR HG21 H 1 1.204 0.05 . 1 . . . . 88 T HG2 . 18011 1 846 . 1 1 88 88 THR HG22 H 1 1.204 0.05 . 1 . . . . 88 T HG2 . 18011 1 847 . 1 1 88 88 THR HG23 H 1 1.204 0.05 . 1 . . . . 88 T HG2 . 18011 1 848 . 1 1 88 88 THR C C 13 175.688 0.1 . 1 . . . . 88 T CO . 18011 1 849 . 1 1 88 88 THR CA C 13 62.606 0.1 . 1 . . . . 88 T CA . 18011 1 850 . 1 1 88 88 THR CB C 13 68.654 0.1 . 1 . . . . 88 T CB . 18011 1 851 . 1 1 88 88 THR CG2 C 13 22.247 0.1 . 1 . . . . 88 T CG2 . 18011 1 852 . 1 1 88 88 THR N N 15 117.509 0.2 . 1 . . . . 88 T N . 18011 1 853 . 1 1 89 89 HIS H H 1 8.853 0.05 . 1 . . . . 89 H H . 18011 1 854 . 1 1 89 89 HIS HA H 1 5.202 0.05 . 1 . . . . 89 H HA . 18011 1 855 . 1 1 89 89 HIS HB2 H 1 2.959 0.05 . 2 . . . . 89 H HB2 . 18011 1 856 . 1 1 89 89 HIS HB3 H 1 3.669 0.05 . 2 . . . . 89 H HB3 . 18011 1 857 . 1 1 89 89 HIS HD2 H 1 7.198 0.05 . 1 . . . . 89 H HD2 . 18011 1 858 . 1 1 89 89 HIS HE1 H 1 9.596 0.05 . 1 . . . . 89 H HE1 . 18011 1 859 . 1 1 89 89 HIS CA C 13 53.534 0.1 . 1 . . . . 89 H CA . 18011 1 860 . 1 1 89 89 HIS CB C 13 28.339 0.1 . 1 . . . . 89 H CB . 18011 1 861 . 1 1 89 89 HIS N N 15 123.146 0.2 . 1 . . . . 89 H N . 18011 1 862 . 1 1 90 90 LEU H H 1 8.247 0.05 . 1 . . . . 90 L H . 18011 1 863 . 1 1 90 90 LEU HA H 1 4.136 0.05 . 1 . . . . 90 L HA . 18011 1 864 . 1 1 90 90 LEU HB2 H 1 2.064 0.05 . 2 . . . . 90 L HB2 . 18011 1 865 . 1 1 90 90 LEU HG H 1 1.737 0.05 . 1 . . . . 90 L HG . 18011 1 866 . 1 1 90 90 LEU HD11 H 1 1.193 0.05 . 2 . . . . 90 L HD1 . 18011 1 867 . 1 1 90 90 LEU HD12 H 1 1.193 0.05 . 2 . . . . 90 L HD1 . 18011 1 868 . 1 1 90 90 LEU HD13 H 1 1.193 0.05 . 2 . . . . 90 L HD1 . 18011 1 869 . 1 1 90 90 LEU HD21 H 1 0.045 0.05 . 2 . . . . 90 L HD2 . 18011 1 870 . 1 1 90 90 LEU HD22 H 1 0.045 0.05 . 2 . . . . 90 L HD2 . 18011 1 871 . 1 1 90 90 LEU HD23 H 1 0.045 0.05 . 2 . . . . 90 L HD2 . 18011 1 872 . 1 1 90 90 LEU CD1 C 13 19.113 0.1 . 2 . . . . 90 L CD1 . 18011 1 873 . 1 1 90 90 LEU CD2 C 13 25.079 0.1 . 2 . . . . 90 L CD2 . 18011 1 874 . 1 1 91 91 PRO HA H 1 4.174 0.05 . 1 . . . . 91 P HA . 18011 1 875 . 1 1 91 91 PRO HB2 H 1 1.977 0.05 . 2 . . . . 91 P HB2 . 18011 1 876 . 1 1 91 91 PRO HB3 H 1 2.494 0.05 . 2 . . . . 91 P HB3 . 18011 1 877 . 1 1 91 91 PRO HD2 H 1 3.702 0.05 . 2 . . . . 91 P HD2 . 18011 1 878 . 1 1 91 91 PRO HD3 H 1 4.222 0.05 . 2 . . . . 91 P HD3 . 18011 1 879 . 1 1 91 91 PRO C C 13 178.235 0.1 . 1 . . . . 91 P CO . 18011 1 880 . 1 1 91 91 PRO CA C 13 67.402 0.1 . 1 . . . . 91 P CA . 18011 1 881 . 1 1 91 91 PRO CB C 13 30.826 0.1 . 1 . . . . 91 P CB . 18011 1 882 . 1 1 91 91 PRO CG C 13 29.327 0.1 . 1 . . . . 91 P CG . 18011 1 883 . 1 1 91 91 PRO CD C 13 51.155 0.1 . 1 . . . . 91 P CD . 18011 1 884 . 1 1 92 92 ASP H H 1 7.448 0.05 . 1 . . . . 92 D H . 18011 1 885 . 1 1 92 92 ASP HA H 1 4.430 0.05 . 1 . . . . 92 D HA . 18011 1 886 . 1 1 92 92 ASP HB2 H 1 2.789 0.05 . 2 . . . . 92 D HB2 . 18011 1 887 . 1 1 92 92 ASP C C 13 180.835 0.1 . 1 . . . . 92 D CO . 18011 1 888 . 1 1 92 92 ASP CA C 13 57.029 0.1 . 1 . . . . 92 D CA . 18011 1 889 . 1 1 92 92 ASP CB C 13 41.177 0.1 . 1 . . . . 92 D CB . 18011 1 890 . 1 1 92 92 ASP N N 15 114.885 0.2 . 1 . . . . 92 D N . 18011 1 891 . 1 1 93 93 ILE H H 1 7.624 0.05 . 1 . . . . 93 I H . 18011 1 892 . 1 1 93 93 ILE HA H 1 3.912 0.05 . 1 . . . . 93 I HA . 18011 1 893 . 1 1 93 93 ILE HB H 1 2.075 0.05 . 1 . . . . 93 I HB . 18011 1 894 . 1 1 93 93 ILE HG12 H 1 1.499 0.05 . 2 . . . . 93 I HG12 . 18011 1 895 . 1 1 93 93 ILE HG13 H 1 1.837 0.05 . 2 . . . . 93 I HG13 . 18011 1 896 . 1 1 93 93 ILE HG21 H 1 1.030 0.05 . 1 . . . . 93 I HG2 . 18011 1 897 . 1 1 93 93 ILE HG22 H 1 1.030 0.05 . 1 . . . . 93 I HG2 . 18011 1 898 . 1 1 93 93 ILE HG23 H 1 1.030 0.05 . 1 . . . . 93 I HG2 . 18011 1 899 . 1 1 93 93 ILE HD11 H 1 1.073 0.05 . 1 . . . . 93 I HD1 . 18011 1 900 . 1 1 93 93 ILE HD12 H 1 1.073 0.05 . 1 . . . . 93 I HD1 . 18011 1 901 . 1 1 93 93 ILE HD13 H 1 1.073 0.05 . 1 . . . . 93 I HD1 . 18011 1 902 . 1 1 93 93 ILE C C 13 177.602 0.1 . 1 . . . . 93 I CO . 18011 1 903 . 1 1 93 93 ILE CA C 13 64.192 0.1 . 1 . . . . 93 I CA . 18011 1 904 . 1 1 93 93 ILE CB C 13 38.518 0.1 . 1 . . . . 93 I CB . 18011 1 905 . 1 1 93 93 ILE CG1 C 13 28.960 0.1 . 1 . . . . 93 I CG1 . 18011 1 906 . 1 1 93 93 ILE CG2 C 13 17.362 0.1 . 1 . . . . 93 I CG2 . 18011 1 907 . 1 1 93 93 ILE CD1 C 13 13.364 0.1 . 1 . . . . 93 I CD1 . 18011 1 908 . 1 1 93 93 ILE N N 15 120.313 0.2 . 1 . . . . 93 I N . 18011 1 909 . 1 1 94 94 VAL H H 1 8.662 0.05 . 1 . . . . 94 V H . 18011 1 910 . 1 1 94 94 VAL HA H 1 3.444 0.05 . 1 . . . . 94 V HA . 18011 1 911 . 1 1 94 94 VAL HB H 1 2.027 0.05 . 1 . . . . 94 V HB . 18011 1 912 . 1 1 94 94 VAL HG11 H 1 0.807 0.05 . 2 . . . . 94 V HG1 . 18011 1 913 . 1 1 94 94 VAL HG12 H 1 0.807 0.05 . 2 . . . . 94 V HG1 . 18011 1 914 . 1 1 94 94 VAL HG13 H 1 0.807 0.05 . 2 . . . . 94 V HG1 . 18011 1 915 . 1 1 94 94 VAL HG21 H 1 0.953 0.05 . 2 . . . . 94 V HG2 . 18011 1 916 . 1 1 94 94 VAL HG22 H 1 0.953 0.05 . 2 . . . . 94 V HG2 . 18011 1 917 . 1 1 94 94 VAL HG23 H 1 0.953 0.05 . 2 . . . . 94 V HG2 . 18011 1 918 . 1 1 94 94 VAL C C 13 177.412 0.1 . 1 . . . . 94 V CO . 18011 1 919 . 1 1 94 94 VAL CA C 13 67.100 0.1 . 1 . . . . 94 V CA . 18011 1 920 . 1 1 94 94 VAL CB C 13 30.918 0.1 . 1 . . . . 94 V CB . 18011 1 921 . 1 1 94 94 VAL CG1 C 13 22.449 0.1 . 2 . . . . 94 V CG1 . 18011 1 922 . 1 1 94 94 VAL CG2 C 13 24.568 0.1 . 2 . . . . 94 V CG2 . 18011 1 923 . 1 1 94 94 VAL N N 15 119.378 0.2 . 1 . . . . 94 V N . 18011 1 924 . 1 1 95 95 GLN H H 1 8.391 0.05 . 1 . . . . 95 Q H . 18011 1 925 . 1 1 95 95 GLN HA H 1 3.971 0.05 . 1 . . . . 95 Q HA . 18011 1 926 . 1 1 95 95 GLN HB2 H 1 2.124 0.05 . 2 . . . . 95 Q HB2 . 18011 1 927 . 1 1 95 95 GLN HE21 H 1 6.083 0.05 . 2 . . . . 95 Q HE21 . 18011 1 928 . 1 1 95 95 GLN HE22 H 1 7.454 0.05 . 2 . . . . 95 Q HE22 . 18011 1 929 . 1 1 95 95 GLN C C 13 177.473 0.1 . 1 . . . . 95 Q CO . 18011 1 930 . 1 1 95 95 GLN CA C 13 59.689 0.1 . 1 . . . . 95 Q CA . 18011 1 931 . 1 1 95 95 GLN CB C 13 28.598 0.1 . 1 . . . . 95 Q CB . 18011 1 932 . 1 1 95 95 GLN CG C 13 33.403 0.1 . 1 . . . . 95 Q CG . 18011 1 933 . 1 1 95 95 GLN N N 15 119.792 0.2 . 1 . . . . 95 Q N . 18011 1 934 . 1 1 95 95 GLN NE2 N 15 113.822 0.2 . 1 . . . . 95 Q NE2 . 18011 1 935 . 1 1 96 96 ARG H H 1 7.597 0.05 . 1 . . . . 96 R H . 18011 1 936 . 1 1 96 96 ARG HA H 1 4.037 0.05 . 1 . . . . 96 R HA . 18011 1 937 . 1 1 96 96 ARG HB2 H 1 1.893 0.05 . 2 . . . . 96 R HB2 . 18011 1 938 . 1 1 96 96 ARG C C 13 178.033 0.1 . 1 . . . . 96 R CO . 18011 1 939 . 1 1 96 96 ARG CA C 13 59.411 0.1 . 1 . . . . 96 R CA . 18011 1 940 . 1 1 96 96 ARG CB C 13 30.032 0.1 . 1 . . . . 96 R CB . 18011 1 941 . 1 1 96 96 ARG CG C 13 27.735 0.1 . 1 . . . . 96 R CG . 18011 1 942 . 1 1 96 96 ARG CD C 13 43.906 0.1 . 1 . . . . 96 R CD . 18011 1 943 . 1 1 96 96 ARG N N 15 118.208 0.2 . 1 . . . . 96 R N . 18011 1 944 . 1 1 97 97 ALA H H 1 8.231 0.05 . 1 . . . . 97 A H . 18011 1 945 . 1 1 97 97 ALA HA H 1 2.708 0.05 . 1 . . . . 97 A HA . 18011 1 946 . 1 1 97 97 ALA HB1 H 1 1.367 0.05 . 1 . . . . 97 A HB . 18011 1 947 . 1 1 97 97 ALA HB2 H 1 1.367 0.05 . 1 . . . . 97 A HB . 18011 1 948 . 1 1 97 97 ALA HB3 H 1 1.367 0.05 . 1 . . . . 97 A HB . 18011 1 949 . 1 1 97 97 ALA C C 13 178.239 0.1 . 1 . . . . 97 A CO . 18011 1 950 . 1 1 97 97 ALA CA C 13 54.580 0.1 . 1 . . . . 97 A CA . 18011 1 951 . 1 1 97 97 ALA CB C 13 19.516 0.1 . 1 . . . . 97 A CB . 18011 1 952 . 1 1 97 97 ALA N N 15 122.044 0.2 . 1 . . . . 97 A N . 18011 1 953 . 1 1 98 98 PHE H H 1 8.739 0.05 . 1 . . . . 98 F H . 18011 1 954 . 1 1 98 98 PHE HA H 1 3.974 0.05 . 1 . . . . 98 F HA . 18011 1 955 . 1 1 98 98 PHE HB2 H 1 3.217 0.05 . 2 . . . . 98 F HB2 . 18011 1 956 . 1 1 98 98 PHE HB3 H 1 3.470 0.05 . 2 . . . . 98 F HB3 . 18011 1 957 . 1 1 98 98 PHE HD1 H 1 6.885 0.05 . 3 . . . . 98 F HD1 . 18011 1 958 . 1 1 98 98 PHE HD2 H 1 6.885 0.05 . 3 . . . . 98 F HD2 . 18011 1 959 . 1 1 98 98 PHE HE1 H 1 6.997 0.05 . 3 . . . . 98 F HE1 . 18011 1 960 . 1 1 98 98 PHE HE2 H 1 6.997 0.05 . 3 . . . . 98 F HE2 . 18011 1 961 . 1 1 98 98 PHE HZ H 1 7.444 0.05 . 1 . . . . 98 F HZ . 18011 1 962 . 1 1 98 98 PHE C C 13 176.374 0.1 . 1 . . . . 98 F CO . 18011 1 963 . 1 1 98 98 PHE CA C 13 61.377 0.1 . 1 . . . . 98 F CA . 18011 1 964 . 1 1 98 98 PHE CB C 13 40.389 0.1 . 1 . . . . 98 F CB . 18011 1 965 . 1 1 98 98 PHE N N 15 120.846 0.2 . 1 . . . . 98 F N . 18011 1 966 . 1 1 99 99 ASP H H 1 8.357 0.05 . 1 . . . . 99 D H . 18011 1 967 . 1 1 99 99 ASP HA H 1 4.201 0.05 . 1 . . . . 99 D HA . 18011 1 968 . 1 1 99 99 ASP HB2 H 1 2.624 0.05 . 2 . . . . 99 D HB2 . 18011 1 969 . 1 1 99 99 ASP CA C 13 57.740 0.1 . 1 . . . . 99 D CA . 18011 1 970 . 1 1 99 99 ASP CB C 13 40.282 0.1 . 1 . . . . 99 D CB . 18011 1 971 . 1 1 99 99 ASP N N 15 118.385 0.2 . 1 . . . . 99 D N . 18011 1 972 . 1 1 100 100 LYS H H 1 8.111 0.05 . 1 . . . . 100 K H . 18011 1 973 . 1 1 100 100 LYS HA H 1 4.047 0.05 . 1 . . . . 100 K HA . 18011 1 974 . 1 1 100 100 LYS HB2 H 1 1.854 0.05 . 2 . . . . 100 K HB2 . 18011 1 975 . 1 1 100 100 LYS HB3 H 1 1.817 0.05 . 2 . . . . 100 K HB3 . 18011 1 976 . 1 1 100 100 LYS HE2 H 1 3.156 0.05 . 2 . . . . 100 K HE2 . 18011 1 977 . 1 1 100 100 LYS HE3 H 1 3.275 0.05 . 2 . . . . 100 K HE3 . 18011 1 978 . 1 1 100 100 LYS CE C 13 43.744 0.1 . 1 . . . . 100 K CE . 18011 1 979 . 1 1 101 101 ALA H H 1 8.250 0.05 . 1 . . . . 101 A H . 18011 1 980 . 1 1 101 101 ALA HA H 1 3.753 0.05 . 1 . . . . 101 A HA . 18011 1 981 . 1 1 101 101 ALA HB1 H 1 1.373 0.05 . 1 . . . . 101 A HB . 18011 1 982 . 1 1 101 101 ALA HB2 H 1 1.373 0.05 . 1 . . . . 101 A HB . 18011 1 983 . 1 1 101 101 ALA HB3 H 1 1.373 0.05 . 1 . . . . 101 A HB . 18011 1 984 . 1 1 101 101 ALA C C 13 179.792 0.1 . 1 . . . . 101 A CO . 18011 1 985 . 1 1 101 101 ALA CA C 13 55.222 0.1 . 1 . . . . 101 A CA . 18011 1 986 . 1 1 101 101 ALA CB C 13 19.499 0.1 . 1 . . . . 101 A CB . 18011 1 987 . 1 1 102 102 LYS H H 1 7.718 0.05 . 1 . . . . 102 K H . 18011 1 988 . 1 1 102 102 LYS HA H 1 3.954 0.05 . 1 . . . . 102 K HA . 18011 1 989 . 1 1 102 102 LYS HB2 H 1 1.705 0.05 . 2 . . . . 102 K HB2 . 18011 1 990 . 1 1 102 102 LYS HG2 H 1 1.358 0.05 . 2 . . . . 102 K HG2 . 18011 1 991 . 1 1 102 102 LYS HE2 H 1 2.849 0.05 . 2 . . . . 102 K HE2 . 18011 1 992 . 1 1 102 102 LYS C C 13 179.231 0.1 . 1 . . . . 102 K CO . 18011 1 993 . 1 1 102 102 LYS CA C 13 58.905 0.1 . 1 . . . . 102 K CA . 18011 1 994 . 1 1 102 102 LYS CB C 13 31.171 0.1 . 1 . . . . 102 K CB . 18011 1 995 . 1 1 102 102 LYS CG C 13 24.468 0.1 . 1 . . . . 102 K CG . 18011 1 996 . 1 1 102 102 LYS CD C 13 29.245 0.1 . 1 . . . . 102 K CD . 18011 1 997 . 1 1 102 102 LYS CE C 13 41.595 0.1 . 1 . . . . 102 K CE . 18011 1 998 . 1 1 102 102 LYS N N 15 115.312 0.2 . 1 . . . . 102 K N . 18011 1 999 . 1 1 103 103 ASP H H 1 7.593 0.05 . 1 . . . . 103 D H . 18011 1 1000 . 1 1 103 103 ASP HA H 1 4.361 0.05 . 1 . . . . 103 D HA . 18011 1 1001 . 1 1 103 103 ASP HB2 H 1 2.735 0.05 . 2 . . . . 103 D HB2 . 18011 1 1002 . 1 1 103 103 ASP C C 13 178.352 0.1 . 1 . . . . 103 D CO . 18011 1 1003 . 1 1 103 103 ASP CA C 13 57.070 0.1 . 1 . . . . 103 D CA . 18011 1 1004 . 1 1 103 103 ASP CB C 13 41.407 0.1 . 1 . . . . 103 D CB . 18011 1 1005 . 1 1 103 103 ASP N N 15 119.909 0.2 . 1 . . . . 103 D N . 18011 1 1006 . 1 1 104 104 LEU H H 1 8.109 0.05 . 1 . . . . 104 L H . 18011 1 1007 . 1 1 104 104 LEU HA H 1 4.105 0.05 . 1 . . . . 104 L HA . 18011 1 1008 . 1 1 104 104 LEU HB2 H 1 1.395 0.05 . 2 . . . . 104 L HB2 . 18011 1 1009 . 1 1 104 104 LEU HB3 H 1 1.661 0.05 . 2 . . . . 104 L HB3 . 18011 1 1010 . 1 1 104 104 LEU HG H 1 0.779 0.05 . 1 . . . . 104 L HG . 18011 1 1011 . 1 1 104 104 LEU HD11 H 1 0.776 0.05 . 2 . . . . 104 L HD1 . 18011 1 1012 . 1 1 104 104 LEU HD12 H 1 0.776 0.05 . 2 . . . . 104 L HD1 . 18011 1 1013 . 1 1 104 104 LEU HD13 H 1 0.776 0.05 . 2 . . . . 104 L HD1 . 18011 1 1014 . 1 1 104 104 LEU HD21 H 1 1.043 0.05 . 2 . . . . 104 L HD2 . 18011 1 1015 . 1 1 104 104 LEU HD22 H 1 1.043 0.05 . 2 . . . . 104 L HD2 . 18011 1 1016 . 1 1 104 104 LEU HD23 H 1 1.043 0.05 . 2 . . . . 104 L HD2 . 18011 1 1017 . 1 1 104 104 LEU C C 13 178.818 0.1 . 1 . . . . 104 L CO . 18011 1 1018 . 1 1 104 104 LEU CA C 13 56.521 0.1 . 1 . . . . 104 L CA . 18011 1 1019 . 1 1 104 104 LEU CB C 13 42.664 0.1 . 1 . . . . 104 L CB . 18011 1 1020 . 1 1 104 104 LEU CG C 13 26.173 0.1 . 1 . . . . 104 L CG . 18011 1 1021 . 1 1 104 104 LEU CD1 C 13 22.929 0.1 . 2 . . . . 104 L CD1 . 18011 1 1022 . 1 1 104 104 LEU N N 15 118.123 0.2 . 1 . . . . 104 L N . 18011 1 1023 . 1 1 105 105 GLY H H 1 8.098 0.05 . 1 . . . . 105 G H . 18011 1 1024 . 1 1 105 105 GLY HA2 H 1 3.723 0.05 . 2 . . . . 105 G HA2 . 18011 1 1025 . 1 1 105 105 GLY C C 13 173.875 0.1 . 1 . . . . 105 G CO . 18011 1 1026 . 1 1 105 105 GLY CA C 13 45.881 0.1 . 1 . . . . 105 G CA . 18011 1 1027 . 1 1 105 105 GLY N N 15 107.302 0.2 . 1 . . . . 105 G N . 18011 1 1028 . 1 1 106 106 ASN H H 1 7.909 0.05 . 1 . . . . 106 N H . 18011 1 1029 . 1 1 106 106 ASN HA H 1 4.455 0.05 . 1 . . . . 106 N HA . 18011 1 1030 . 1 1 106 106 ASN HB2 H 1 2.662 0.05 . 2 . . . . 106 N HB2 . 18011 1 1031 . 1 1 106 106 ASN HB3 H 1 2.858 0.05 . 2 . . . . 106 N HB3 . 18011 1 1032 . 1 1 106 106 ASN HD21 H 1 6.764 0.05 . 2 . . . . 106 N HD21 . 18011 1 1033 . 1 1 106 106 ASN HD22 H 1 7.540 0.05 . 2 . . . . 106 N HD22 . 18011 1 1034 . 1 1 106 106 ASN C C 13 175.198 0.1 . 1 . . . . 106 N CO . 18011 1 1035 . 1 1 106 106 ASN CA C 13 54.172 0.1 . 1 . . . . 106 N CA . 18011 1 1036 . 1 1 106 106 ASN CB C 13 38.251 0.1 . 1 . . . . 106 N CB . 18011 1 1037 . 1 1 106 106 ASN N N 15 116.514 0.2 . 1 . . . . 106 N N . 18011 1 1038 . 1 1 106 106 ASN ND2 N 15 112.289 0.2 . 1 . . . . 106 N ND2 . 18011 1 1039 . 1 1 107 107 LYS H H 1 8.359 0.05 . 1 . . . . 107 K H . 18011 1 1040 . 1 1 107 107 LYS HA H 1 4.278 0.05 . 1 . . . . 107 K HA . 18011 1 1041 . 1 1 107 107 LYS HB2 H 1 1.709 0.05 . 2 . . . . 107 K HB2 . 18011 1 1042 . 1 1 107 107 LYS HE2 H 1 2.894 0.05 . 2 . . . . 107 K HE2 . 18011 1 1043 . 1 1 107 107 LYS C C 13 176.835 0.1 . 1 . . . . 107 K CO . 18011 1 1044 . 1 1 107 107 LYS CA C 13 56.075 0.1 . 1 . . . . 107 K CA . 18011 1 1045 . 1 1 107 107 LYS CB C 13 32.623 0.1 . 1 . . . . 107 K CB . 18011 1 1046 . 1 1 107 107 LYS CG C 13 24.518 0.1 . 1 . . . . 107 K CG . 18011 1 1047 . 1 1 107 107 LYS CD C 13 28.597 0.1 . 1 . . . . 107 K CD . 18011 1 1048 . 1 1 107 107 LYS CE C 13 42.159 0.1 . 1 . . . . 107 K CE . 18011 1 1049 . 1 1 107 107 LYS N N 15 119.777 0.2 . 1 . . . . 107 K N . 18011 1 1050 . 1 1 108 108 VAL H H 1 8.127 0.05 . 1 . . . . 108 V H . 18011 1 1051 . 1 1 108 108 VAL HA H 1 3.962 0.05 . 1 . . . . 108 V HA . 18011 1 1052 . 1 1 108 108 VAL HB H 1 1.971 0.05 . 1 . . . . 108 V HB . 18011 1 1053 . 1 1 108 108 VAL HG11 H 1 0.933 0.05 . 2 . . . . 108 V HG1 . 18011 1 1054 . 1 1 108 108 VAL HG12 H 1 0.933 0.05 . 2 . . . . 108 V HG1 . 18011 1 1055 . 1 1 108 108 VAL HG13 H 1 0.933 0.05 . 2 . . . . 108 V HG1 . 18011 1 1056 . 1 1 108 108 VAL HG21 H 1 0.873 0.05 . 2 . . . . 108 V HG2 . 18011 1 1057 . 1 1 108 108 VAL HG22 H 1 0.873 0.05 . 2 . . . . 108 V HG2 . 18011 1 1058 . 1 1 108 108 VAL HG23 H 1 0.873 0.05 . 2 . . . . 108 V HG2 . 18011 1 1059 . 1 1 108 108 VAL C C 13 176.133 0.1 . 1 . . . . 108 V CO . 18011 1 1060 . 1 1 108 108 VAL CA C 13 63.028 0.1 . 1 . . . . 108 V CA . 18011 1 1061 . 1 1 108 108 VAL CB C 13 32.050 0.1 . 1 . . . . 108 V CB . 18011 1 1062 . 1 1 108 108 VAL CG1 C 13 20.913 0.1 . 2 . . . . 108 V CG1 . 18011 1 1063 . 1 1 108 108 VAL N N 15 122.127 0.2 . 1 . . . . 108 V N . 18011 1 1064 . 1 1 109 109 LYS H H 1 8.389 0.05 . 1 . . . . 109 K H . 18011 1 1065 . 1 1 109 109 LYS HA H 1 4.368 0.05 . 1 . . . . 109 K HA . 18011 1 1066 . 1 1 109 109 LYS HB2 H 1 1.723 0.05 . 2 . . . . 109 K HB2 . 18011 1 1067 . 1 1 109 109 LYS HG2 H 1 1.411 0.05 . 2 . . . . 109 K HG2 . 18011 1 1068 . 1 1 109 109 LYS HE2 H 1 2.921 0.05 . 2 . . . . 109 K HE2 . 18011 1 1069 . 1 1 109 109 LYS C C 13 176.932 0.1 . 1 . . . . 109 K CO . 18011 1 1070 . 1 1 109 109 LYS CA C 13 55.625 0.1 . 1 . . . . 109 K CA . 18011 1 1071 . 1 1 109 109 LYS CB C 13 33.579 0.1 . 1 . . . . 109 K CB . 18011 1 1072 . 1 1 109 109 LYS CG C 13 24.598 0.1 . 1 . . . . 109 K CG . 18011 1 1073 . 1 1 109 109 LYS CD C 13 28.713 0.1 . 1 . . . . 109 K CD . 18011 1 1074 . 1 1 109 109 LYS CE C 13 42.041 0.1 . 1 . . . . 109 K CE . 18011 1 1075 . 1 1 109 109 LYS N N 15 125.615 0.2 . 1 . . . . 109 K N . 18011 1 1076 . 1 1 110 110 GLY H H 1 8.541 0.05 . 1 . . . . 110 G H . 18011 1 1077 . 1 1 110 110 GLY HA2 H 1 3.766 0.05 . 2 . . . . 110 G HA2 . 18011 1 1078 . 1 1 110 110 GLY HA3 H 1 4.017 0.05 . 2 . . . . 110 G HA3 . 18011 1 1079 . 1 1 110 110 GLY C C 13 173.744 0.1 . 1 . . . . 110 G CO . 18011 1 1080 . 1 1 110 110 GLY CA C 13 44.553 0.1 . 1 . . . . 110 G CA . 18011 1 1081 . 1 1 110 110 GLY N N 15 110.598 0.2 . 1 . . . . 110 G N . 18011 1 1082 . 1 1 111 111 VAL H H 1 8.118 0.05 . 1 . . . . 111 V H . 18011 1 1083 . 1 1 111 111 VAL HA H 1 3.968 0.05 . 1 . . . . 111 V HA . 18011 1 1084 . 1 1 111 111 VAL HB H 1 1.979 0.05 . 1 . . . . 111 V HB . 18011 1 1085 . 1 1 111 111 VAL HG11 H 1 0.908 0.05 . 2 . . . . 111 V HG1 . 18011 1 1086 . 1 1 111 111 VAL HG12 H 1 0.908 0.05 . 2 . . . . 111 V HG1 . 18011 1 1087 . 1 1 111 111 VAL HG13 H 1 0.908 0.05 . 2 . . . . 111 V HG1 . 18011 1 1088 . 1 1 111 111 VAL HG21 H 1 0.853 0.05 . 2 . . . . 111 V HG2 . 18011 1 1089 . 1 1 111 111 VAL HG22 H 1 0.853 0.05 . 2 . . . . 111 V HG2 . 18011 1 1090 . 1 1 111 111 VAL HG23 H 1 0.853 0.05 . 2 . . . . 111 V HG2 . 18011 1 1091 . 1 1 111 111 VAL C C 13 177.461 0.1 . 1 . . . . 111 V CO . 18011 1 1092 . 1 1 111 111 VAL CA C 13 63.342 0.1 . 1 . . . . 111 V CA . 18011 1 1093 . 1 1 111 111 VAL CB C 13 31.961 0.1 . 1 . . . . 111 V CB . 18011 1 1094 . 1 1 111 111 VAL CG1 C 13 20.991 0.1 . 2 . . . . 111 V CG1 . 18011 1 1095 . 1 1 111 111 VAL CG2 C 13 21.091 0.1 . 2 . . . . 111 V CG2 . 18011 1 1096 . 1 1 111 111 VAL N N 15 119.970 0.2 . 1 . . . . 111 V N . 18011 1 1097 . 1 1 112 112 GLY H H 1 8.817 0.05 . 1 . . . . 112 G H . 18011 1 1098 . 1 1 112 112 GLY HA2 H 1 3.869 0.05 . 2 . . . . 112 G HA2 . 18011 1 1099 . 1 1 112 112 GLY HA3 H 1 4.046 0.05 . 2 . . . . 112 G HA3 . 18011 1 1100 . 1 1 112 112 GLY C C 13 177.010 0.1 . 1 . . . . 112 G CO . 18011 1 1101 . 1 1 112 112 GLY CA C 13 45.380 0.1 . 1 . . . . 112 G CA . 18011 1 1102 . 1 1 112 112 GLY N N 15 115.019 0.2 . 1 1 . . . 112 G N . 18011 1 1103 . 1 1 113 113 GLU H H 1 8.111 0.05 . 1 . . . . 113 E H . 18011 1 1104 . 1 1 113 113 GLU HA H 1 4.360 0.05 . 1 . . . . 113 E HA . 18011 1 1105 . 1 1 113 113 GLU HB2 H 1 1.884 0.05 . 2 . . . . 113 E HB2 . 18011 1 1106 . 1 1 113 113 GLU HG2 H 1 2.126 0.05 . 2 . . . . 113 E HG2 . 18011 1 1107 . 1 1 113 113 GLU C C 13 176.671 0.1 . 1 . . . . 113 E CO . 18011 1 1108 . 1 1 113 113 GLU CA C 13 55.998 0.1 . 1 . . . . 113 E CA . 18011 1 1109 . 1 1 113 113 GLU CB C 13 30.139 0.1 . 1 . . . . 113 E CB . 18011 1 1110 . 1 1 113 113 GLU CG C 13 36.331 0.1 . 1 . . . . 113 E CG . 18011 1 1111 . 1 1 113 113 GLU N N 15 119.886 0.2 . 1 . . . . 113 E N . 18011 1 1112 . 1 1 114 114 GLU H H 1 8.857 0.05 . 1 . . . . 114 E H . 18011 1 1113 . 1 1 114 114 GLU HA H 1 4.043 0.05 . 1 . . . . 114 E HA . 18011 1 1114 . 1 1 114 114 GLU HB2 H 1 1.975 0.05 . 2 . . . . 114 E HB2 . 18011 1 1115 . 1 1 114 114 GLU HB3 H 1 2.113 0.05 . 2 . . . . 114 E HB3 . 18011 1 1116 . 1 1 114 114 GLU HG2 H 1 2.275 0.05 . 2 . . . . 114 E HG2 . 18011 1 1117 . 1 1 114 114 GLU C C 13 176.440 0.1 . 1 . . . . 114 E CO . 18011 1 1118 . 1 1 114 114 GLU CA C 13 58.542 0.1 . 1 . . . . 114 E CA . 18011 1 1119 . 1 1 114 114 GLU CB C 13 29.657 0.1 . 1 . . . . 114 E CB . 18011 1 1120 . 1 1 114 114 GLU CG C 13 36.530 0.1 . 1 . . . . 114 E CG . 18011 1 1121 . 1 1 114 114 GLU N N 15 120.656 0.2 . 1 . . . . 114 E N . 18011 1 1122 . 1 1 115 115 ASP H H 1 8.597 0.05 . 1 . . . . 115 D H . 18011 1 1123 . 1 1 115 115 ASP HA H 1 4.859 0.05 . 1 . . . . 115 D HA . 18011 1 1124 . 1 1 115 115 ASP HB2 H 1 2.663 0.05 . 2 . . . . 115 D HB2 . 18011 1 1125 . 1 1 115 115 ASP HB3 H 1 2.842 0.05 . 2 . . . . 115 D HB3 . 18011 1 1126 . 1 1 115 115 ASP C C 13 174.671 0.1 . 1 . . . . 115 D CO . 18011 1 1127 . 1 1 115 115 ASP CA C 13 53.931 0.1 . 1 . . . . 115 D CA . 18011 1 1128 . 1 1 115 115 ASP CB C 13 41.057 0.1 . 1 . . . . 115 D CB . 18011 1 1129 . 1 1 115 115 ASP N N 15 118.775 0.2 . 1 . . . . 115 D N . 18011 1 1130 . 1 1 116 116 LEU H H 1 7.528 0.05 . 1 . . . . 116 L H . 18011 1 1131 . 1 1 116 116 LEU HA H 1 5.178 0.05 . 1 . . . . 116 L HA . 18011 1 1132 . 1 1 116 116 LEU HB2 H 1 1.247 0.05 . 2 . . . . 116 L HB2 . 18011 1 1133 . 1 1 116 116 LEU HB3 H 1 1.656 0.05 . 2 . . . . 116 L HB3 . 18011 1 1134 . 1 1 116 116 LEU HG H 1 1.562 0.05 . 1 . . . . 116 L HG . 18011 1 1135 . 1 1 116 116 LEU HD11 H 1 0.774 0.05 . 2 . . . . 116 L HD1 . 18011 1 1136 . 1 1 116 116 LEU HD12 H 1 0.774 0.05 . 2 . . . . 116 L HD1 . 18011 1 1137 . 1 1 116 116 LEU HD13 H 1 0.774 0.05 . 2 . . . . 116 L HD1 . 18011 1 1138 . 1 1 116 116 LEU HD21 H 1 0.835 0.05 . 2 . . . . 116 L HD2 . 18011 1 1139 . 1 1 116 116 LEU HD22 H 1 0.835 0.05 . 2 . . . . 116 L HD2 . 18011 1 1140 . 1 1 116 116 LEU HD23 H 1 0.835 0.05 . 2 . . . . 116 L HD2 . 18011 1 1141 . 1 1 116 116 LEU C C 13 176.806 0.1 . 1 . . . . 116 L CO . 18011 1 1142 . 1 1 116 116 LEU CA C 13 53.604 0.1 . 1 . . . . 116 L CA . 18011 1 1143 . 1 1 116 116 LEU CB C 13 45.170 0.1 . 1 . . . . 116 L CB . 18011 1 1144 . 1 1 116 116 LEU CG C 13 26.722 0.1 . 1 . . . . 116 L CG . 18011 1 1145 . 1 1 116 116 LEU CD1 C 13 23.247 0.1 . 2 . . . . 116 L CD1 . 18011 1 1146 . 1 1 116 116 LEU CD2 C 13 25.875 0.1 . 2 . . . . 116 L CD2 . 18011 1 1147 . 1 1 116 116 LEU N N 15 119.418 0.2 . 1 . . . . 116 L N . 18011 1 1148 . 1 1 117 117 VAL H H 1 9.424 0.05 . 1 . . . . 117 V H . 18011 1 1149 . 1 1 117 117 VAL HA H 1 4.553 0.05 . 1 . . . . 117 V HA . 18011 1 1150 . 1 1 117 117 VAL HB H 1 2.207 0.05 . 1 . . . . 117 V HB . 18011 1 1151 . 1 1 117 117 VAL HG11 H 1 0.564 0.05 . 2 . . . . 117 V HG1 . 18011 1 1152 . 1 1 117 117 VAL HG12 H 1 0.564 0.05 . 2 . . . . 117 V HG1 . 18011 1 1153 . 1 1 117 117 VAL HG13 H 1 0.564 0.05 . 2 . . . . 117 V HG1 . 18011 1 1154 . 1 1 117 117 VAL HG21 H 1 0.913 0.05 . 2 . . . . 117 V HG2 . 18011 1 1155 . 1 1 117 117 VAL HG22 H 1 0.913 0.05 . 2 . . . . 117 V HG2 . 18011 1 1156 . 1 1 117 117 VAL HG23 H 1 0.913 0.05 . 2 . . . . 117 V HG2 . 18011 1 1157 . 1 1 117 117 VAL CA C 13 60.106 0.1 . 1 . . . . 117 V CA . 18011 1 1158 . 1 1 117 117 VAL CB C 13 34.220 0.1 . 1 . . . . 117 V CB . 18011 1 1159 . 1 1 117 117 VAL CG1 C 13 21.877 0.1 . 2 . . . . 117 V CG1 . 18011 1 1160 . 1 1 117 117 VAL CG2 C 13 19.248 0.1 . 2 . . . . 117 V CG2 . 18011 1 1161 . 1 1 117 117 VAL N N 15 116.590 0.2 . 1 . . . . 117 V N . 18011 1 1162 . 1 1 118 118 GLU H H 1 7.786 0.05 . 1 . . . . 118 E H . 18011 1 1163 . 1 1 118 118 GLU HA H 1 3.986 0.05 . 1 . . . . 118 E HA . 18011 1 1164 . 1 1 118 118 GLU HB2 H 1 2.119 0.05 . 2 . . . . 118 E HB2 . 18011 1 1165 . 1 1 118 118 GLU HG3 H 1 2.526 0.05 . 2 . . . . 118 E HG3 . 18011 1 1166 . 1 1 118 118 GLU C C 13 179.347 0.1 . 1 . . . . 118 E CO . 18011 1 1167 . 1 1 118 118 GLU CA C 13 59.166 0.1 . 1 . . . . 118 E CA . 18011 1 1168 . 1 1 118 118 GLU CB C 13 29.614 0.1 . 1 . . . . 118 E CB . 18011 1 1169 . 1 1 118 118 GLU CG C 13 36.130 0.1 . 1 . . . . 118 E CG . 18011 1 1170 . 1 1 119 119 PHE H H 1 8.270 0.05 . 1 . . . . 119 F H . 18011 1 1171 . 1 1 119 119 PHE HA H 1 4.360 0.05 . 1 . . . . 119 F HA . 18011 1 1172 . 1 1 119 119 PHE HB2 H 1 2.826 0.05 . 2 . . . . 119 F HB2 . 18011 1 1173 . 1 1 119 119 PHE HD1 H 1 6.558 0.05 . 3 . . . . 119 F HD1 . 18011 1 1174 . 1 1 119 119 PHE HD2 H 1 6.558 0.05 . 3 . . . . 119 F HD2 . 18011 1 1175 . 1 1 119 119 PHE HE1 H 1 6.840 0.05 . 3 . . . . 119 F HE1 . 18011 1 1176 . 1 1 119 119 PHE HE2 H 1 6.840 0.05 . 3 . . . . 119 F HE2 . 18011 1 1177 . 1 1 119 119 PHE HZ H 1 7.204 0.05 . 1 . . . . 119 F HZ . 18011 1 1178 . 1 1 119 119 PHE CA C 13 61.857 0.1 . 1 . . . . 119 F CA . 18011 1 1179 . 1 1 119 119 PHE CB C 13 38.990 0.1 . 1 . . . . 119 F CB . 18011 1 1180 . 1 1 119 119 PHE N N 15 120.005 0.2 . 1 . . . . 119 F N . 18011 1 1181 . 1 1 120 120 LEU H H 1 8.410 0.05 . 1 . . . . 120 L H . 18011 1 1182 . 1 1 120 120 LEU HA H 1 3.454 0.05 . 1 . . . . 120 L HA . 18011 1 1183 . 1 1 120 120 LEU HB2 H 1 1.425 0.05 . 2 . . . . 120 L HB2 . 18011 1 1184 . 1 1 120 120 LEU HB3 H 1 1.527 0.05 . 2 . . . . 120 L HB3 . 18011 1 1185 . 1 1 120 120 LEU HG H 1 1.298 0.05 . 1 . . . . 120 L HG . 18011 1 1186 . 1 1 120 120 LEU HD11 H 1 0.739 0.05 . 2 . . . . 120 L HD1 . 18011 1 1187 . 1 1 120 120 LEU HD12 H 1 0.739 0.05 . 2 . . . . 120 L HD1 . 18011 1 1188 . 1 1 120 120 LEU HD13 H 1 0.739 0.05 . 2 . . . . 120 L HD1 . 18011 1 1189 . 1 1 120 120 LEU HD21 H 1 0.773 0.05 . 2 . . . . 120 L HD2 . 18011 1 1190 . 1 1 120 120 LEU HD22 H 1 0.773 0.05 . 2 . . . . 120 L HD2 . 18011 1 1191 . 1 1 120 120 LEU HD23 H 1 0.773 0.05 . 2 . . . . 120 L HD2 . 18011 1 1192 . 1 1 120 120 LEU C C 13 177.790 0.1 . 1 . . . . 120 L CO . 18011 1 1193 . 1 1 120 120 LEU CA C 13 59.306 0.1 . 1 . . . . 120 L CA . 18011 1 1194 . 1 1 120 120 LEU CB C 13 41.126 0.1 . 1 . . . . 120 L CB . 18011 1 1195 . 1 1 120 120 LEU CG C 13 27.645 0.1 . 1 . . . . 120 L CG . 18011 1 1196 . 1 1 120 120 LEU CD1 C 13 24.039 0.1 . 2 . . . . 120 L CD1 . 18011 1 1197 . 1 1 120 120 LEU CD2 C 13 25.416 0.1 . 2 . . . . 120 L CD2 . 18011 1 1198 . 1 1 121 121 GLU H H 1 7.757 0.05 . 1 . . . . 121 E H . 18011 1 1199 . 1 1 121 121 GLU HA H 1 3.626 0.05 . 1 . . . . 121 E HA . 18011 1 1200 . 1 1 121 121 GLU HB2 H 1 1.654 0.05 . 2 . . . . 121 E HB2 . 18011 1 1201 . 1 1 121 121 GLU HB3 H 1 2.392 0.05 . 2 . . . . 121 E HB3 . 18011 1 1202 . 1 1 121 121 GLU HG2 H 1 2.301 0.05 . 2 . . . . 121 E HG2 . 18011 1 1203 . 1 1 121 121 GLU C C 13 178.115 0.1 . 1 . . . . 121 E CO . 18011 1 1204 . 1 1 121 121 GLU CA C 13 60.296 0.1 . 1 . . . . 121 E CA . 18011 1 1205 . 1 1 121 121 GLU CB C 13 29.202 0.1 . 1 . . . . 121 E CB . 18011 1 1206 . 1 1 121 121 GLU CG C 13 37.715 0.1 . 1 . . . . 121 E CG . 18011 1 1207 . 1 1 121 121 GLU N N 15 116.214 0.2 . 1 . . . . 121 E N . 18011 1 1208 . 1 1 122 122 PHE H H 1 8.613 0.05 . 1 . . . . 122 F H . 18011 1 1209 . 1 1 122 122 PHE HA H 1 4.030 0.05 . 1 . . . . 122 F HA . 18011 1 1210 . 1 1 122 122 PHE HB2 H 1 2.890 0.05 . 2 . . . . 122 F HB2 . 18011 1 1211 . 1 1 122 122 PHE HD1 H 1 6.163 0.05 . 3 . . . . 122 F HD1 . 18011 1 1212 . 1 1 122 122 PHE HD2 H 1 6.163 0.05 . 3 . . . . 122 F HD2 . 18011 1 1213 . 1 1 122 122 PHE HE1 H 1 6.567 0.05 . 3 . . . . 122 F HE1 . 18011 1 1214 . 1 1 122 122 PHE HE2 H 1 6.567 0.05 . 3 . . . . 122 F HE2 . 18011 1 1215 . 1 1 122 122 PHE HZ H 1 7.830 0.05 . 1 . . . . 122 F HZ . 18011 1 1216 . 1 1 122 122 PHE CA C 13 61.832 0.1 . 1 . . . . 122 F CA . 18011 1 1217 . 1 1 122 122 PHE CB C 13 39.512 0.1 . 1 . . . . 122 F CB . 18011 1 1218 . 1 1 122 122 PHE N N 15 119.988 0.2 . 1 . . . . 122 F N . 18011 1 1219 . 1 1 123 123 ARG H H 1 8.377 0.05 . 1 . . . . 123 R H . 18011 1 1220 . 1 1 123 123 ARG HB2 H 1 1.970 0.05 . 2 . . . . 123 R HB2 . 18011 1 1221 . 1 1 123 123 ARG C C 13 178.597 0.1 . 1 . . . . 123 R CO . 18011 1 1222 . 1 1 123 123 ARG CA C 13 60.801 0.1 . 1 . . . . 123 R CA . 18011 1 1223 . 1 1 123 123 ARG CB C 13 30.426 0.1 . 1 . . . . 123 R CB . 18011 1 1224 . 1 1 124 124 LEU H H 1 7.590 0.05 . 1 . . . . 124 L H . 18011 1 1225 . 1 1 124 124 LEU HA H 1 3.836 0.05 . 1 . . . . 124 L HA . 18011 1 1226 . 1 1 124 124 LEU HB2 H 1 1.162 0.05 . 2 . . . . 124 L HB2 . 18011 1 1227 . 1 1 124 124 LEU HB3 H 1 1.959 0.05 . 2 . . . . 124 L HB3 . 18011 1 1228 . 1 1 124 124 LEU HG H 1 1.773 0.05 . 1 . . . . 124 L HG . 18011 1 1229 . 1 1 124 124 LEU HD11 H 1 0.673 0.05 . 2 . . . . 124 L HD1 . 18011 1 1230 . 1 1 124 124 LEU HD12 H 1 0.673 0.05 . 2 . . . . 124 L HD1 . 18011 1 1231 . 1 1 124 124 LEU HD13 H 1 0.673 0.05 . 2 . . . . 124 L HD1 . 18011 1 1232 . 1 1 124 124 LEU HD21 H 1 0.749 0.05 . 2 . . . . 124 L HD2 . 18011 1 1233 . 1 1 124 124 LEU HD22 H 1 0.749 0.05 . 2 . . . . 124 L HD2 . 18011 1 1234 . 1 1 124 124 LEU HD23 H 1 0.749 0.05 . 2 . . . . 124 L HD2 . 18011 1 1235 . 1 1 124 124 LEU C C 13 178.610 0.1 . 1 . . . . 124 L CO . 18011 1 1236 . 1 1 124 124 LEU CA C 13 58.174 0.1 . 1 . . . . 124 L CA . 18011 1 1237 . 1 1 124 124 LEU CB C 13 41.400 0.1 . 1 . . . . 124 L CB . 18011 1 1238 . 1 1 124 124 LEU CG C 13 26.638 0.1 . 1 . . . . 124 L CG . 18011 1 1239 . 1 1 124 124 LEU CD1 C 13 21.507 0.1 . 2 . . . . 124 L CD1 . 18011 1 1240 . 1 1 124 124 LEU CD2 C 13 25.588 0.1 . 2 . . . . 124 L CD2 . 18011 1 1241 . 1 1 124 124 LEU N N 15 118.600 0.2 . 1 . . . . 124 L N . 18011 1 1242 . 1 1 125 125 MET H H 1 8.476 0.05 . 1 . . . . 125 M H . 18011 1 1243 . 1 1 125 125 MET HA H 1 3.637 0.05 . 1 . . . . 125 M HA . 18011 1 1244 . 1 1 125 125 MET HB2 H 1 1.971 0.05 . 2 . . . . 125 M HB2 . 18011 1 1245 . 1 1 125 125 MET HG2 H 1 2.468 0.05 . 2 . . . . 125 M HG2 . 18011 1 1246 . 1 1 125 125 MET HE1 H 1 1.838 0.05 . 1 . . . . 125 M HE1 . 18011 1 1247 . 1 1 125 125 MET HE2 H 1 1.838 0.05 . 1 . . . . 125 M HE1 . 18011 1 1248 . 1 1 125 125 MET HE3 H 1 1.838 0.05 . 1 . . . . 125 M HE1 . 18011 1 1249 . 1 1 125 125 MET C C 13 177.784 0.1 . 1 . . . . 125 M CO . 18011 1 1250 . 1 1 125 125 MET CA C 13 59.529 0.1 . 1 . . . . 125 M CA . 18011 1 1251 . 1 1 125 125 MET CB C 13 32.804 0.1 . 1 . . . . 125 M CB . 18011 1 1252 . 1 1 125 125 MET CG C 13 31.710 0.1 . 1 . . . . 125 M CG . 18011 1 1253 . 1 1 125 125 MET CE C 13 17.812 0.1 . 1 . . . . 125 M CE . 18011 1 1254 . 1 1 125 125 MET N N 15 119.509 0.2 . 1 . . . . 125 M N . 18011 1 1255 . 1 1 126 126 LEU H H 1 7.804 0.05 . 1 . . . . 126 L H . 18011 1 1256 . 1 1 126 126 LEU HA H 1 3.603 0.05 . 1 . . . . 126 L HA . 18011 1 1257 . 1 1 126 126 LEU HB2 H 1 1.014 0.05 . 2 . . . . 126 L HB2 . 18011 1 1258 . 1 1 126 126 LEU HB3 H 1 1.703 0.05 . 2 . . . . 126 L HB3 . 18011 1 1259 . 1 1 126 126 LEU HG H 1 0.423 0.05 . 1 . . . . 126 L HG . 18011 1 1260 . 1 1 126 126 LEU HD11 H 1 0.291 0.05 . 2 . . . . 126 L HD1 . 18011 1 1261 . 1 1 126 126 LEU HD12 H 1 0.291 0.05 . 2 . . . . 126 L HD1 . 18011 1 1262 . 1 1 126 126 LEU HD13 H 1 0.291 0.05 . 2 . . . . 126 L HD1 . 18011 1 1263 . 1 1 126 126 LEU HD21 H 1 1.052 0.05 . 2 . . . . 126 L HD2 . 18011 1 1264 . 1 1 126 126 LEU HD22 H 1 1.052 0.05 . 2 . . . . 126 L HD2 . 18011 1 1265 . 1 1 126 126 LEU HD23 H 1 1.052 0.05 . 2 . . . . 126 L HD2 . 18011 1 1266 . 1 1 126 126 LEU C C 13 178.808 0.1 . 1 . . . . 126 L CO . 18011 1 1267 . 1 1 126 126 LEU CA C 13 57.758 0.1 . 1 . . . . 126 L CA . 18011 1 1268 . 1 1 126 126 LEU CB C 13 41.039 0.1 . 1 . . . . 126 L CB . 18011 1 1269 . 1 1 126 126 LEU CG C 13 26.335 0.1 . 1 . . . . 126 L CG . 18011 1 1270 . 1 1 126 126 LEU CD1 C 13 20.812 0.1 . 2 . . . . 126 L CD1 . 18011 1 1271 . 1 1 126 126 LEU CD2 C 13 21.410 0.1 . 2 . . . . 126 L CD2 . 18011 1 1272 . 1 1 126 126 LEU N N 15 116.672 0.2 . 1 . . . . 126 L N . 18011 1 1273 . 1 1 127 127 CYS H H 1 7.400 0.05 . 1 . . . . 127 C H . 18011 1 1274 . 1 1 127 127 CYS HA H 1 3.728 0.05 . 1 . . . . 127 C HA . 18011 1 1275 . 1 1 127 127 CYS HB2 H 1 2.374 0.05 . 2 . . . . 127 C HB2 . 18011 1 1276 . 1 1 127 127 CYS HB3 H 1 3.071 0.05 . 2 . . . . 127 C HB3 . 18011 1 1277 . 1 1 127 127 CYS C C 13 174.259 0.1 . 1 . . . . 127 C CO . 18011 1 1278 . 1 1 127 127 CYS CA C 13 64.166 0.1 . 1 . . . . 127 C CA . 18011 1 1279 . 1 1 127 127 CYS CB C 13 26.848 0.1 . 1 . . . . 127 C CB . 18011 1 1280 . 1 1 127 127 CYS N N 15 115.699 0.2 . 1 . . . . 127 C N . 18011 1 1281 . 1 1 128 128 TYR H H 1 7.993 0.05 . 1 . . . . 128 Y H . 18011 1 1282 . 1 1 128 128 TYR HA H 1 3.778 0.05 . 1 . . . . 128 Y HA . 18011 1 1283 . 1 1 128 128 TYR HB2 H 1 2.688 0.05 . 2 . . . . 128 Y HB2 . 18011 1 1284 . 1 1 128 128 TYR HB3 H 1 3.250 0.05 . 2 . . . . 128 Y HB3 . 18011 1 1285 . 1 1 128 128 TYR HD1 H 1 6.636 0.05 . 3 . . . . 128 Y HD1 . 18011 1 1286 . 1 1 128 128 TYR HD2 H 1 6.636 0.05 . 3 . . . . 128 Y HD2 . 18011 1 1287 . 1 1 128 128 TYR HE1 H 1 7.712 0.05 . 3 . . . . 128 Y HE1 . 18011 1 1288 . 1 1 128 128 TYR HE2 H 1 7.712 0.05 . 3 . . . . 128 Y HE2 . 18011 1 1289 . 1 1 128 128 TYR C C 13 176.499 0.1 . 1 . . . . 128 Y CO . 18011 1 1290 . 1 1 128 128 TYR CA C 13 61.109 0.1 . 1 . . . . 128 Y CA . 18011 1 1291 . 1 1 128 128 TYR CB C 13 38.329 0.1 . 1 . . . . 128 Y CB . 18011 1 1292 . 1 1 128 128 TYR N N 15 119.395 0.2 . 1 . . . . 128 Y N . 18011 1 1293 . 1 1 129 129 ILE H H 1 7.959 0.05 . 1 . . . . 129 I H . 18011 1 1294 . 1 1 129 129 ILE HA H 1 3.066 0.05 . 1 . . . . 129 I HA . 18011 1 1295 . 1 1 129 129 ILE HB H 1 1.422 0.05 . 1 . . . . 129 I HB . 18011 1 1296 . 1 1 129 129 ILE HG12 H 1 0.512 0.05 . 2 . . . . 129 I HG12 . 18011 1 1297 . 1 1 129 129 ILE HG13 H 1 1.845 0.05 . 2 . . . . 129 I HG13 . 18011 1 1298 . 1 1 129 129 ILE HG21 H 1 -0.015 0.05 . 1 . . . . 129 I HG2 . 18011 1 1299 . 1 1 129 129 ILE HG22 H 1 -0.015 0.05 . 1 . . . . 129 I HG2 . 18011 1 1300 . 1 1 129 129 ILE HG23 H 1 -0.015 0.05 . 1 . . . . 129 I HG2 . 18011 1 1301 . 1 1 129 129 ILE HD11 H 1 0.581 0.05 . 1 . . . . 129 I HD1 . 18011 1 1302 . 1 1 129 129 ILE HD12 H 1 0.581 0.05 . 1 . . . . 129 I HD1 . 18011 1 1303 . 1 1 129 129 ILE HD13 H 1 0.581 0.05 . 1 . . . . 129 I HD1 . 18011 1 1304 . 1 1 129 129 ILE C C 13 175.675 0.1 . 1 . . . . 129 I CO . 18011 1 1305 . 1 1 129 129 ILE CA C 13 65.554 0.1 . 1 . . . . 129 I CA . 18011 1 1306 . 1 1 129 129 ILE CB C 13 38.260 0.1 . 1 . . . . 129 I CB . 18011 1 1307 . 1 1 129 129 ILE CG1 C 13 29.623 0.1 . 1 . . . . 129 I CG1 . 18011 1 1308 . 1 1 129 129 ILE CG2 C 13 16.525 0.1 . 1 . . . . 129 I CG2 . 18011 1 1309 . 1 1 129 129 ILE CD1 C 13 13.659 0.1 . 1 . . . . 129 I CD1 . 18011 1 1310 . 1 1 129 129 ILE N N 15 116.584 0.2 . 1 . . . . 129 I N . 18011 1 1311 . 1 1 130 130 TYR H H 1 8.118 0.05 . 1 . . . . 130 Y H . 18011 1 1312 . 1 1 130 130 TYR HA H 1 3.614 0.05 . 1 . . . . 130 Y HA . 18011 1 1313 . 1 1 130 130 TYR HB2 H 1 2.858 0.05 . 2 . . . . 130 Y HB2 . 18011 1 1314 . 1 1 130 130 TYR HB3 H 1 3.327 0.05 . 2 . . . . 130 Y HB3 . 18011 1 1315 . 1 1 130 130 TYR HD1 H 1 7.150 0.05 . 3 . . . . 130 Y HD1 . 18011 1 1316 . 1 1 130 130 TYR HD2 H 1 7.150 0.05 . 3 . . . . 130 Y HD2 . 18011 1 1317 . 1 1 130 130 TYR HE1 H 1 7.359 0.05 . 3 . . . . 130 Y HE1 . 18011 1 1318 . 1 1 130 130 TYR HE2 H 1 7.359 0.05 . 3 . . . . 130 Y HE2 . 18011 1 1319 . 1 1 130 130 TYR C C 13 176.525 0.1 . 1 . . . . 130 Y CO . 18011 1 1320 . 1 1 130 130 TYR CA C 13 62.619 0.1 . 1 . . . . 130 Y CA . 18011 1 1321 . 1 1 130 130 TYR CB C 13 39.506 0.1 . 1 . . . . 130 Y CB . 18011 1 1322 . 1 1 130 130 TYR N N 15 118.085 0.2 . 1 . . . . 130 Y N . 18011 1 1323 . 1 1 131 131 ASP H H 1 8.757 0.05 . 1 . . . . 131 D H . 18011 1 1324 . 1 1 131 131 ASP HA H 1 4.717 0.05 . 1 . . . . 131 D HA . 18011 1 1325 . 1 1 131 131 ASP HB2 H 1 2.914 0.05 . 2 . . . . 131 D HB2 . 18011 1 1326 . 1 1 131 131 ASP HB3 H 1 2.630 0.05 . 2 . . . . 131 D HB3 . 18011 1 1327 . 1 1 131 131 ASP C C 13 178.733 0.1 . 1 . . . . 131 D CO . 18011 1 1328 . 1 1 131 131 ASP CA C 13 58.174 0.1 . 1 . . . . 131 D CA . 18011 1 1329 . 1 1 131 131 ASP CB C 13 40.538 0.1 . 1 . . . . 131 D CB . 18011 1 1330 . 1 1 131 131 ASP N N 15 119.001 0.2 . 1 . . . . 131 D N . 18011 1 1331 . 1 1 132 132 ILE H H 1 8.677 0.05 . 1 . . . . 132 I H . 18011 1 1332 . 1 1 132 132 ILE HA H 1 3.816 0.05 . 1 . . . . 132 I HA . 18011 1 1333 . 1 1 132 132 ILE HB H 1 1.833 0.05 . 1 . . . . 132 I HB . 18011 1 1334 . 1 1 132 132 ILE HG12 H 1 1.251 0.05 . 2 . . . . 132 I HG12 . 18011 1 1335 . 1 1 132 132 ILE HG13 H 1 1.325 0.05 . 2 . . . . 132 I HG13 . 18011 1 1336 . 1 1 132 132 ILE HG21 H 1 1.066 0.05 . 1 . . . . 132 I HG2 . 18011 1 1337 . 1 1 132 132 ILE HG22 H 1 1.066 0.05 . 1 . . . . 132 I HG2 . 18011 1 1338 . 1 1 132 132 ILE HG23 H 1 1.066 0.05 . 1 . . . . 132 I HG2 . 18011 1 1339 . 1 1 132 132 ILE HD11 H 1 0.649 0.05 . 1 . . . . 132 I HD1 . 18011 1 1340 . 1 1 132 132 ILE HD12 H 1 0.649 0.05 . 1 . . . . 132 I HD1 . 18011 1 1341 . 1 1 132 132 ILE HD13 H 1 0.649 0.05 . 1 . . . . 132 I HD1 . 18011 1 1342 . 1 1 132 132 ILE C C 13 179.817 0.1 . 1 . . . . 132 I CO . 18011 1 1343 . 1 1 132 132 ILE CA C 13 63.725 0.1 . 1 . . . . 132 I CA . 18011 1 1344 . 1 1 132 132 ILE CB C 13 36.672 0.1 . 1 . . . . 132 I CB . 18011 1 1345 . 1 1 132 132 ILE CG1 C 13 30.066 0.1 . 1 . . . . 132 I CG1 . 18011 1 1346 . 1 1 132 132 ILE CG2 C 13 17.700 0.1 . 1 . . . . 132 I CG2 . 18011 1 1347 . 1 1 132 132 ILE CD1 C 13 12.274 0.1 . 1 . . . . 132 I CD1 . 18011 1 1348 . 1 1 132 132 ILE N N 15 121.059 0.2 . 1 . . . . 132 I N . 18011 1 1349 . 1 1 133 133 PHE H H 1 8.423 0.05 . 1 . . . . 133 F H . 18011 1 1350 . 1 1 133 133 PHE HA H 1 4.104 0.05 . 1 . . . . 133 F HA . 18011 1 1351 . 1 1 133 133 PHE HB2 H 1 1.850 0.05 . 2 . . . . 133 F HB2 . 18011 1 1352 . 1 1 133 133 PHE HB3 H 1 3.056 0.05 . 2 . . . . 133 F HB3 . 18011 1 1353 . 1 1 133 133 PHE HD1 H 1 6.419 0.05 . 3 . . . . 133 F HD1 . 18011 1 1354 . 1 1 133 133 PHE HD2 H 1 6.419 0.05 . 3 . . . . 133 F HD2 . 18011 1 1355 . 1 1 133 133 PHE HE1 H 1 6.710 0.05 . 3 . . . . 133 F HE1 . 18011 1 1356 . 1 1 133 133 PHE HE2 H 1 6.710 0.05 . 3 . . . . 133 F HE2 . 18011 1 1357 . 1 1 133 133 PHE HZ H 1 7.115 0.05 . 1 . . . . 133 F HZ . 18011 1 1358 . 1 1 133 133 PHE C C 13 176.752 0.1 . 1 . . . . 133 F CO . 18011 1 1359 . 1 1 133 133 PHE CA C 13 58.208 0.1 . 1 . . . . 133 F CA . 18011 1 1360 . 1 1 133 133 PHE CB C 13 36.394 0.1 . 1 . . . . 133 F CB . 18011 1 1361 . 1 1 133 133 PHE N N 15 126.340 0.2 . 1 . . . . 133 F N . 18011 1 1362 . 1 1 134 134 GLU H H 1 8.858 0.05 . 1 . . . . 134 E H . 18011 1 1363 . 1 1 134 134 GLU HA H 1 4.022 0.05 . 1 . . . . 134 E HA . 18011 1 1364 . 1 1 134 134 GLU HB2 H 1 2.169 0.05 . 2 . . . . 134 E HB2 . 18011 1 1365 . 1 1 134 134 GLU HB3 H 1 2.492 0.05 . 2 . . . . 134 E HB3 . 18011 1 1366 . 1 1 134 134 GLU HG2 H 1 2.403 0.05 . 2 . . . . 134 E HG2 . 18011 1 1367 . 1 1 134 134 GLU C C 13 179.401 0.1 . 1 . . . . 134 E CO . 18011 1 1368 . 1 1 134 134 GLU CA C 13 60.223 0.1 . 1 . . . . 134 E CA . 18011 1 1369 . 1 1 134 134 GLU CB C 13 28.914 0.1 . 1 . . . . 134 E CB . 18011 1 1370 . 1 1 134 134 GLU CG C 13 37.650 0.1 . 1 . . . . 134 E CG . 18011 1 1371 . 1 1 134 134 GLU N N 15 122.341 0.2 . 1 . . . . 134 E N . 18011 1 1372 . 1 1 135 135 LEU H H 1 8.462 0.05 . 1 . . . . 135 L H . 18011 1 1373 . 1 1 135 135 LEU HA H 1 3.789 0.05 . 1 . . . . 135 L HA . 18011 1 1374 . 1 1 135 135 LEU HB2 H 1 1.488 0.05 . 2 . . . . 135 L HB2 . 18011 1 1375 . 1 1 135 135 LEU HB3 H 1 1.588 0.05 . 2 . . . . 135 L HB3 . 18011 1 1376 . 1 1 135 135 LEU HG H 1 1.457 0.05 . 1 . . . . 135 L HG . 18011 1 1377 . 1 1 135 135 LEU HD11 H 1 0.101 0.05 . 2 . . . . 135 L HD1 . 18011 1 1378 . 1 1 135 135 LEU HD12 H 1 0.101 0.05 . 2 . . . . 135 L HD1 . 18011 1 1379 . 1 1 135 135 LEU HD13 H 1 0.101 0.05 . 2 . . . . 135 L HD1 . 18011 1 1380 . 1 1 135 135 LEU HD21 H 1 0.061 0.05 . 2 . . . . 135 L HD2 . 18011 1 1381 . 1 1 135 135 LEU HD22 H 1 0.061 0.05 . 2 . . . . 135 L HD2 . 18011 1 1382 . 1 1 135 135 LEU HD23 H 1 0.061 0.05 . 2 . . . . 135 L HD2 . 18011 1 1383 . 1 1 135 135 LEU C C 13 178.908 0.1 . 1 . . . . 135 L CO . 18011 1 1384 . 1 1 135 135 LEU CA C 13 57.502 0.1 . 1 . . . . 135 L CA . 18011 1 1385 . 1 1 135 135 LEU CB C 13 42.308 0.1 . 1 . . . . 135 L CB . 18011 1 1386 . 1 1 135 135 LEU CG C 13 26.295 0.1 . 1 . . . . 135 L CG . 18011 1 1387 . 1 1 135 135 LEU CD1 C 13 24.664 0.1 . 2 . . . . 135 L CD1 . 18011 1 1388 . 1 1 135 135 LEU CD2 C 13 24.985 0.1 . 2 . . . . 135 L CD2 . 18011 1 1389 . 1 1 135 135 LEU N N 15 119.028 0.2 . 1 . . . . 135 L N . 18011 1 1390 . 1 1 136 136 THR H H 1 7.888 0.05 . 1 . . . . 136 T H . 18011 1 1391 . 1 1 136 136 THR HA H 1 3.896 0.05 . 1 . . . . 136 T HA . 18011 1 1392 . 1 1 136 136 THR HB H 1 4.752 0.05 . 1 . . . . 136 T HB . 18011 1 1393 . 1 1 136 136 THR HG21 H 1 1.116 0.05 . 1 . . . . 136 T HG2 . 18011 1 1394 . 1 1 136 136 THR HG22 H 1 1.116 0.05 . 1 . . . . 136 T HG2 . 18011 1 1395 . 1 1 136 136 THR HG23 H 1 1.116 0.05 . 1 . . . . 136 T HG2 . 18011 1 1396 . 1 1 136 136 THR C C 13 176.233 0.1 . 1 . . . . 136 T CO . 18011 1 1397 . 1 1 136 136 THR CA C 13 67.863 0.1 . 1 . . . . 136 T CA . 18011 1 1398 . 1 1 136 136 THR CB C 13 68.442 0.1 . 1 . . . . 136 T CB . 18011 1 1399 . 1 1 136 136 THR CG2 C 13 20.638 0.1 . 1 . . . . 136 T CG2 . 18011 1 1400 . 1 1 136 136 THR N N 15 115.897 0.2 . 1 . . . . 136 T N . 18011 1 1401 . 1 1 137 137 VAL H H 1 7.751 0.05 . 1 . . . . 137 V H . 18011 1 1402 . 1 1 137 137 VAL HA H 1 3.631 0.05 . 1 . . . . 137 V HA . 18011 1 1403 . 1 1 137 137 VAL HB H 1 1.750 0.05 . 1 . . . . 137 V HB . 18011 1 1404 . 1 1 137 137 VAL HG11 H 1 0.844 0.05 . 2 . . . . 137 V HG1 . 18011 1 1405 . 1 1 137 137 VAL HG12 H 1 0.844 0.05 . 2 . . . . 137 V HG1 . 18011 1 1406 . 1 1 137 137 VAL HG13 H 1 0.844 0.05 . 2 . . . . 137 V HG1 . 18011 1 1407 . 1 1 137 137 VAL HG21 H 1 0.676 0.05 . 2 . . . . 137 V HG2 . 18011 1 1408 . 1 1 137 137 VAL HG22 H 1 0.676 0.05 . 2 . . . . 137 V HG2 . 18011 1 1409 . 1 1 137 137 VAL HG23 H 1 0.676 0.05 . 2 . . . . 137 V HG2 . 18011 1 1410 . 1 1 137 137 VAL CA C 13 66.323 0.1 . 1 . . . . 137 V CA . 18011 1 1411 . 1 1 137 137 VAL CB C 13 31.475 0.1 . 1 . . . . 137 V CB . 18011 1 1412 . 1 1 137 137 VAL CG1 C 13 21.167 0.1 . 2 . . . . 137 V CG1 . 18011 1 1413 . 1 1 137 137 VAL CG2 C 13 21.718 0.1 . 2 . . . . 137 V CG2 . 18011 1 1414 . 1 1 137 137 VAL N N 15 120.841 0.2 . 1 . . . . 137 V N . 18011 1 1415 . 1 1 138 138 MET H H 1 8.269 0.05 . 1 . . . . 138 M H . 18011 1 1416 . 1 1 138 138 MET HA H 1 3.825 0.05 . 1 . . . . 138 M HA . 18011 1 1417 . 1 1 138 138 MET HB2 H 1 1.822 0.05 . 2 . . . . 138 M HB2 . 18011 1 1418 . 1 1 138 138 MET HB3 H 1 2.063 0.05 . 2 . . . . 138 M HB3 . 18011 1 1419 . 1 1 138 138 MET HG2 H 1 2.380 0.05 . 2 . . . . 138 M HG2 . 18011 1 1420 . 1 1 138 138 MET HG3 H 1 2.040 0.05 . 2 . . . . 138 M HG3 . 18011 1 1421 . 1 1 138 138 MET HE1 H 1 1.508 0.05 . 1 . . . . 138 M HE . 18011 1 1422 . 1 1 138 138 MET HE2 H 1 1.508 0.05 . 1 . . . . 138 M HE . 18011 1 1423 . 1 1 138 138 MET HE3 H 1 1.508 0.05 . 1 . . . . 138 M HE . 18011 1 1424 . 1 1 138 138 MET C C 13 178.151 0.1 . 1 . . . . 138 M CO . 18011 1 1425 . 1 1 138 138 MET CA C 13 58.975 0.1 . 1 . . . . 138 M CA . 18011 1 1426 . 1 1 138 138 MET CB C 13 33.838 0.1 . 1 . . . . 138 M CB . 18011 1 1427 . 1 1 138 138 MET CG C 13 30.549 0.1 . 1 . . . . 138 M CG . 18011 1 1428 . 1 1 138 138 MET CE C 13 15.319 0.1 . 1 . . . . 138 M CE . 18011 1 1429 . 1 1 139 139 PHE H H 1 8.004 0.05 . 1 . . . . 139 F H . 18011 1 1430 . 1 1 139 139 PHE HA H 1 4.312 0.05 . 1 . . . . 139 F HA . 18011 1 1431 . 1 1 139 139 PHE HB2 H 1 2.868 0.05 . 2 . . . . 139 F HB2 . 18011 1 1432 . 1 1 139 139 PHE HB3 H 1 3.097 0.05 . 2 . . . . 139 F HB3 . 18011 1 1433 . 1 1 139 139 PHE HD1 H 1 7.088 0.05 . 3 . . . . 139 F HD1 . 18011 1 1434 . 1 1 139 139 PHE HD2 H 1 7.088 0.05 . 3 . . . . 139 F HD2 . 18011 1 1435 . 1 1 139 139 PHE HE1 H 1 7.457 0.05 . 3 . . . . 139 F HE1 . 18011 1 1436 . 1 1 139 139 PHE HE2 H 1 7.457 0.05 . 3 . . . . 139 F HE2 . 18011 1 1437 . 1 1 139 139 PHE HZ H 1 6.799 0.05 . 1 . . . . 139 F HZ . 18011 1 1438 . 1 1 139 139 PHE C C 13 175.942 0.1 . 1 . . . . 139 F CO . 18011 1 1439 . 1 1 139 139 PHE CA C 13 59.701 0.1 . 1 . . . . 139 F CA . 18011 1 1440 . 1 1 139 139 PHE CB C 13 39.162 0.1 . 1 . . . . 139 F CB . 18011 1 1441 . 1 1 139 139 PHE N N 15 117.065 0.2 . 1 . . . . 139 F N . 18011 1 1442 . 1 1 140 140 ASP H H 1 7.862 0.05 . 1 . . . . 140 D H . 18011 1 1443 . 1 1 140 140 ASP HA H 1 4.443 0.05 . 1 . . . . 140 D HA . 18011 1 1444 . 1 1 140 140 ASP HB2 H 1 2.711 0.05 . 2 . . . . 140 D HB2 . 18011 1 1445 . 1 1 140 140 ASP C C 13 177.469 0.1 . 1 . . . . 140 D CO . 18011 1 1446 . 1 1 140 140 ASP CA C 13 55.810 0.1 . 1 . . . . 140 D CA . 18011 1 1447 . 1 1 140 140 ASP CB C 13 40.925 0.1 . 1 . . . . 140 D CB . 18011 1 1448 . 1 1 140 140 ASP N N 15 121.854 0.2 . 1 . . . . 140 D N . 18011 1 1449 . 1 1 141 141 THR H H 1 7.775 0.05 . 1 . . . . 141 T H . 18011 1 1450 . 1 1 141 141 THR HA H 1 4.229 0.05 . 1 . . . . 141 T HA . 18011 1 1451 . 1 1 141 141 THR HB H 1 4.226 0.05 . 1 . . . . 141 T HB . 18011 1 1452 . 1 1 141 141 THR HG21 H 1 0.988 0.05 . 1 . . . . 141 T HG2 . 18011 1 1453 . 1 1 141 141 THR HG22 H 1 0.988 0.05 . 1 . . . . 141 T HG2 . 18011 1 1454 . 1 1 141 141 THR HG23 H 1 0.988 0.05 . 1 . . . . 141 T HG2 . 18011 1 1455 . 1 1 141 141 THR C C 13 175.148 0.1 . 1 . . . . 141 T CO . 18011 1 1456 . 1 1 141 141 THR CA C 13 62.221 0.1 . 1 . . . . 141 T CA . 18011 1 1457 . 1 1 141 141 THR CB C 13 69.319 0.1 . 1 . . . . 141 T CB . 18011 1 1458 . 1 1 141 141 THR CG2 C 13 21.615 0.1 . 1 . . . . 141 T CG2 . 18011 1 1459 . 1 1 141 141 THR N N 15 110.650 0.2 . 1 . . . . 141 T N . 18011 1 1460 . 1 1 142 142 MET H H 1 7.910 0.05 . 1 . . . . 142 M H . 18011 1 1461 . 1 1 142 142 MET HA H 1 4.226 0.05 . 1 . . . . 142 M HA . 18011 1 1462 . 1 1 142 142 MET HB2 H 1 1.914 0.05 . 2 . . . . 142 M HB2 . 18011 1 1463 . 1 1 142 142 MET HG2 H 1 2.414 0.05 . 2 . . . . 142 M HG2 . 18011 1 1464 . 1 1 142 142 MET HE1 H 1 1.830 0.05 . 1 . . . . 142 M HE1 . 18011 1 1465 . 1 1 142 142 MET HE2 H 1 1.830 0.05 . 1 . . . . 142 M HE1 . 18011 1 1466 . 1 1 142 142 MET HE3 H 1 1.830 0.05 . 1 . . . . 142 M HE1 . 18011 1 1467 . 1 1 142 142 MET C C 13 175.621 0.1 . 1 . . . . 142 M CO . 18011 1 1468 . 1 1 142 142 MET CA C 13 56.545 0.1 . 1 . . . . 142 M CA . 18011 1 1469 . 1 1 142 142 MET CB C 13 33.042 0.1 . 1 . . . . 142 M CB . 18011 1 1470 . 1 1 142 142 MET CG C 13 32.034 0.1 . 1 . . . . 142 M CG . 18011 1 1471 . 1 1 142 142 MET CE C 13 16.923 0.1 . 1 . . . . 142 M CE . 18011 1 1472 . 1 1 142 142 MET N N 15 120.492 0.2 . 1 . . . . 142 M N . 18011 1 1473 . 1 1 143 143 ASP H H 1 8.041 0.05 . 1 . . . . 143 D H . 18011 1 1474 . 1 1 143 143 ASP HA H 1 4.457 0.05 . 1 . . . . 143 D HA . 18011 1 1475 . 1 1 143 143 ASP HB2 H 1 2.505 0.05 . 2 . . . . 143 D HB2 . 18011 1 1476 . 1 1 143 143 ASP HB3 H 1 2.683 0.05 . 2 . . . . 143 D HB3 . 18011 1 1477 . 1 1 143 143 ASP C C 13 175.883 0.1 . 1 . . . . 143 D CO . 18011 1 1478 . 1 1 143 143 ASP CA C 13 54.546 0.1 . 1 . . . . 143 D CA . 18011 1 1479 . 1 1 143 143 ASP CB C 13 40.750 0.1 . 1 . . . . 143 D CB . 18011 1 1480 . 1 1 143 143 ASP N N 15 118.813 0.2 . 1 . . . . 143 D N . 18011 1 1481 . 1 1 144 144 LYS H H 1 7.983 0.05 . 1 . . . . 144 K H . 18011 1 1482 . 1 1 144 144 LYS HA H 1 4.299 0.05 . 1 . . . . 144 K HA . 18011 1 1483 . 1 1 144 144 LYS HB2 H 1 1.670 0.05 . 2 . . . . 144 K HB2 . 18011 1 1484 . 1 1 144 144 LYS HG2 H 1 1.308 0.05 . 2 . . . . 144 K HG2 . 18011 1 1485 . 1 1 144 144 LYS HE2 H 1 2.914 0.05 . 2 . . . . 144 K HE2 . 18011 1 1486 . 1 1 144 144 LYS C C 13 176.293 0.1 . 1 . . . . 144 K CO . 18011 1 1487 . 1 1 144 144 LYS CA C 13 56.169 0.1 . 1 . . . . 144 K CA . 18011 1 1488 . 1 1 144 144 LYS CB C 13 33.022 0.1 . 1 . . . . 144 K CB . 18011 1 1489 . 1 1 144 144 LYS CG C 13 24.440 0.1 . 1 . . . . 144 K CG . 18011 1 1490 . 1 1 144 144 LYS CD C 13 28.992 0.1 . 1 . . . . 144 K CD . 18011 1 1491 . 1 1 144 144 LYS CE C 13 42.131 0.1 . 1 . . . . 144 K CE . 18011 1 1492 . 1 1 144 144 LYS N N 15 120.716 0.2 . 1 . . . . 144 K N . 18011 1 1493 . 1 1 145 145 ASP H H 1 8.342 0.05 . 1 . . . . 145 D H . 18011 1 1494 . 1 1 145 145 ASP HA H 1 4.529 0.05 . 1 . . . . 145 D HA . 18011 1 1495 . 1 1 145 145 ASP HB2 H 1 2.656 0.05 . 2 . . . . 145 D HB2 . 18011 1 1496 . 1 1 145 145 ASP C C 13 176.614 0.1 . 1 . . . . 145 D CO . 18011 1 1497 . 1 1 145 145 ASP CA C 13 54.383 0.1 . 1 . . . . 145 D CA . 18011 1 1498 . 1 1 145 145 ASP CB C 13 41.295 0.1 . 1 . . . . 145 D CB . 18011 1 1499 . 1 1 145 145 ASP N N 15 120.319 0.2 . 1 . . . . 145 D N . 18011 1 1500 . 1 1 146 146 GLY H H 1 8.326 0.05 . 1 . . . . 146 G H . 18011 1 1501 . 1 1 146 146 GLY HA2 H 1 3.928 0.05 . 2 . . . . 146 G HA2 . 18011 1 1502 . 1 1 146 146 GLY C C 13 174.177 0.1 . 1 . . . . 146 G CO . 18011 1 1503 . 1 1 146 146 GLY CA C 13 45.383 0.1 . 1 . . . . 146 G CA . 18011 1 1504 . 1 1 146 146 GLY N N 15 109.317 0.2 . 1 . . . . 146 G N . 18011 1 1505 . 1 1 147 147 SER H H 1 8.183 0.05 . 1 . . . . 147 S H . 18011 1 1506 . 1 1 147 147 SER HA H 1 4.355 0.05 . 1 . . . . 147 S HA . 18011 1 1507 . 1 1 147 147 SER HB2 H 1 3.809 0.05 . 2 . . . . 147 S HB2 . 18011 1 1508 . 1 1 147 147 SER C C 13 174.192 0.1 . 1 . . . . 147 S CO . 18011 1 1509 . 1 1 147 147 SER CA C 13 58.554 0.1 . 1 . . . . 147 S CA . 18011 1 1510 . 1 1 147 147 SER CB C 13 63.992 0.1 . 1 . . . . 147 S CB . 18011 1 1511 . 1 1 147 147 SER N N 15 115.699 0.2 . 1 . . . . 147 S N . 18011 1 1512 . 1 1 148 148 LEU H H 1 8.426 0.05 . 1 . . . . 148 L H . 18011 1 1513 . 1 1 148 148 LEU HA H 1 4.228 0.05 . 1 . . . . 148 L HA . 18011 1 1514 . 1 1 148 148 LEU HB2 H 1 1.686 0.05 . 2 . . . . 148 L HB2 . 18011 1 1515 . 1 1 148 148 LEU HG H 1 1.957 0.05 . 1 . . . . 148 L HG . 18011 1 1516 . 1 1 148 148 LEU HD11 H 1 0.872 0.05 . 2 . . . . 148 L HD1 . 18011 1 1517 . 1 1 148 148 LEU HD12 H 1 0.872 0.05 . 2 . . . . 148 L HD1 . 18011 1 1518 . 1 1 148 148 LEU HD13 H 1 0.872 0.05 . 2 . . . . 148 L HD1 . 18011 1 1519 . 1 1 148 148 LEU HD21 H 1 0.757 0.05 . 2 . . . . 148 L HD2 . 18011 1 1520 . 1 1 148 148 LEU HD22 H 1 0.757 0.05 . 2 . . . . 148 L HD2 . 18011 1 1521 . 1 1 148 148 LEU HD23 H 1 0.757 0.05 . 2 . . . . 148 L HD2 . 18011 1 1522 . 1 1 148 148 LEU C C 13 175.497 0.1 . 1 . . . . 148 L CO . 18011 1 1523 . 1 1 148 148 LEU CA C 13 56.007 0.1 . 1 . . . . 148 L CA . 18011 1 1524 . 1 1 148 148 LEU CB C 13 42.052 0.1 . 1 . . . . 148 L CB . 18011 1 1525 . 1 1 148 148 LEU CG C 13 27.536 0.1 . 1 . . . . 148 L CG . 18011 1 1526 . 1 1 148 148 LEU CD1 C 13 24.772 0.1 . 2 . . . . 148 L CD1 . 18011 1 1527 . 1 1 148 148 LEU CD2 C 13 24.687 0.1 . 2 . . . . 148 L CD2 . 18011 1 1528 . 1 1 148 148 LEU N N 15 123.698 0.2 . 1 . . . . 148 L N . 18011 1 1529 . 1 1 149 149 LEU H H 1 8.007 0.05 . 1 . . . . 149 L H . 18011 1 1530 . 1 1 149 149 LEU HA H 1 4.827 0.05 . 1 . . . . 149 L HA . 18011 1 1531 . 1 1 149 149 LEU HB2 H 1 1.233 0.05 . 2 . . . . 149 L HB2 . 18011 1 1532 . 1 1 149 149 LEU HB3 H 1 1.625 0.05 . 2 . . . . 149 L HB3 . 18011 1 1533 . 1 1 149 149 LEU HG H 1 1.581 0.05 . 1 . . . . 149 L HG . 18011 1 1534 . 1 1 149 149 LEU HD11 H 1 0.764 0.05 . 2 . . . . 149 L HD1 . 18011 1 1535 . 1 1 149 149 LEU HD12 H 1 0.764 0.05 . 2 . . . . 149 L HD1 . 18011 1 1536 . 1 1 149 149 LEU HD13 H 1 0.764 0.05 . 2 . . . . 149 L HD1 . 18011 1 1537 . 1 1 149 149 LEU HD21 H 1 0.828 0.05 . 2 . . . . 149 L HD2 . 18011 1 1538 . 1 1 149 149 LEU HD22 H 1 0.828 0.05 . 2 . . . . 149 L HD2 . 18011 1 1539 . 1 1 149 149 LEU HD23 H 1 0.828 0.05 . 2 . . . . 149 L HD2 . 18011 1 1540 . 1 1 149 149 LEU C C 13 176.105 0.1 . 1 . . . . 149 L CO . 18011 1 1541 . 1 1 149 149 LEU CA C 13 53.915 0.1 . 1 . . . . 149 L CA . 18011 1 1542 . 1 1 149 149 LEU CB C 13 43.990 0.1 . 1 . . . . 149 L CB . 18011 1 1543 . 1 1 149 149 LEU CG C 13 26.626 0.1 . 1 . . . . 149 L CG . 18011 1 1544 . 1 1 149 149 LEU CD1 C 13 23.640 0.1 . 2 . . . . 149 L CD1 . 18011 1 1545 . 1 1 149 149 LEU CD2 C 13 25.140 0.1 . 2 . . . . 149 L CD2 . 18011 1 1546 . 1 1 149 149 LEU N N 15 122.721 0.2 . 1 . . . . 149 L N . 18011 1 1547 . 1 1 150 150 LEU H H 1 9.223 0.05 . 1 . . . . 150 L H . 18011 1 1548 . 1 1 150 150 LEU HA H 1 4.668 0.05 . 1 . . . . 150 L HA . 18011 1 1549 . 1 1 150 150 LEU HB2 H 1 1.446 0.05 . 2 . . . . 150 L HB2 . 18011 1 1550 . 1 1 150 150 LEU HG H 1 1.428 0.05 . 1 . . . . 150 L HG . 18011 1 1551 . 1 1 150 150 LEU HD11 H 1 0.295 0.05 . 2 . . . . 150 L HD1 . 18011 1 1552 . 1 1 150 150 LEU HD12 H 1 0.295 0.05 . 2 . . . . 150 L HD1 . 18011 1 1553 . 1 1 150 150 LEU HD13 H 1 0.295 0.05 . 2 . . . . 150 L HD1 . 18011 1 1554 . 1 1 150 150 LEU HD21 H 1 0.467 0.05 . 2 . . . . 150 L HD2 . 18011 1 1555 . 1 1 150 150 LEU HD22 H 1 0.467 0.05 . 2 . . . . 150 L HD2 . 18011 1 1556 . 1 1 150 150 LEU HD23 H 1 0.467 0.05 . 2 . . . . 150 L HD2 . 18011 1 1557 . 1 1 150 150 LEU C C 13 177.066 0.1 . 1 . . . . 150 L CO . 18011 1 1558 . 1 1 150 150 LEU CA C 13 55.322 0.1 . 1 . . . . 150 L CA . 18011 1 1559 . 1 1 150 150 LEU CB C 13 44.426 0.1 . 1 . . . . 150 L CB . 18011 1 1560 . 1 1 150 150 LEU CG C 13 27.796 0.1 . 1 . . . . 150 L CG . 18011 1 1561 . 1 1 150 150 LEU CD1 C 13 25.160 0.1 . 2 . . . . 150 L CD1 . 18011 1 1562 . 1 1 150 150 LEU CD2 C 13 24.967 0.1 . 2 . . . . 150 L CD2 . 18011 1 1563 . 1 1 150 150 LEU N N 15 122.599 0.2 . 1 . . . . 150 L N . 18011 1 1564 . 1 1 151 151 GLU H H 1 8.388 0.05 . 1 . . . . 151 E H . 18011 1 1565 . 1 1 151 151 GLU HA H 1 4.956 0.05 . 1 . . . . 151 E HA . 18011 1 1566 . 1 1 151 151 GLU HB2 H 1 2.118 0.05 . 2 . . . . 151 E HB2 . 18011 1 1567 . 1 1 151 151 GLU HG2 H 1 2.319 0.05 . 2 . . . . 151 E HG2 . 18011 1 1568 . 1 1 151 151 GLU HG3 H 1 2.413 0.05 . 2 . . . . 151 E HG3 . 18011 1 1569 . 1 1 151 151 GLU CA C 13 54.716 0.1 . 1 . . . . 151 E CA . 18011 1 1570 . 1 1 151 151 GLU CB C 13 31.452 0.1 . 1 . . . . 151 E CB . 18011 1 1571 . 1 1 151 151 GLU CG C 13 37.294 0.1 . 1 . . . . 151 E CG . 18011 1 1572 . 1 1 151 151 GLU N N 15 121.240 0.2 . 1 . . . . 151 E N . 18011 1 1573 . 1 1 152 152 LEU H H 1 8.324 0.05 . 1 . . . . 152 L H . 18011 1 1574 . 1 1 152 152 LEU HA H 1 2.953 0.05 . 1 . . . . 152 L HA . 18011 1 1575 . 1 1 152 152 LEU HB2 H 1 0.712 0.05 . 2 . . . . 152 L HB2 . 18011 1 1576 . 1 1 152 152 LEU HB3 H 1 1.390 0.05 . 2 . . . . 152 L HB3 . 18011 1 1577 . 1 1 152 152 LEU HG H 1 1.635 0.05 . 1 . . . . 152 L HG . 18011 1 1578 . 1 1 152 152 LEU HD11 H 1 0.502 0.05 . 2 . . . . 152 L HD1 . 18011 1 1579 . 1 1 152 152 LEU HD12 H 1 0.502 0.05 . 2 . . . . 152 L HD1 . 18011 1 1580 . 1 1 152 152 LEU HD13 H 1 0.502 0.05 . 2 . . . . 152 L HD1 . 18011 1 1581 . 1 1 152 152 LEU HD21 H 1 1.631 0.05 . 2 . . . . 152 L HD2 . 18011 1 1582 . 1 1 152 152 LEU HD22 H 1 1.631 0.05 . 2 . . . . 152 L HD2 . 18011 1 1583 . 1 1 152 152 LEU HD23 H 1 1.631 0.05 . 2 . . . . 152 L HD2 . 18011 1 1584 . 1 1 152 152 LEU C C 13 178.199 0.1 . 1 . . . . 152 L CO . 18011 1 1585 . 1 1 152 152 LEU CA C 13 58.529 0.1 . 1 . . . . 152 L CA . 18011 1 1586 . 1 1 152 152 LEU CB C 13 40.694 0.1 . 1 . . . . 152 L CB . 18011 1 1587 . 1 1 152 152 LEU CG C 13 26.893 0.1 . 1 . . . . 152 L CG . 18011 1 1588 . 1 1 152 152 LEU CD1 C 13 22.936 0.1 . 2 . . . . 152 L CD1 . 18011 1 1589 . 1 1 152 152 LEU CD2 C 13 25.567 0.1 . 2 . . . . 152 L CD2 . 18011 1 1590 . 1 1 153 153 GLN H H 1 8.550 0.05 . 1 . . . . 153 Q H . 18011 1 1591 . 1 1 153 153 GLN HA H 1 3.800 0.05 . 1 . . . . 153 Q HA . 18011 1 1592 . 1 1 153 153 GLN HB2 H 1 1.848 0.05 . 2 . . . . 153 Q HB2 . 18011 1 1593 . 1 1 153 153 GLN HB3 H 1 2.069 0.05 . 2 . . . . 153 Q HB3 . 18011 1 1594 . 1 1 153 153 GLN HG2 H 1 2.270 0.05 . 2 . . . . 153 Q HG2 . 18011 1 1595 . 1 1 153 153 GLN HG3 H 1 2.352 0.05 . 2 . . . . 153 Q HG3 . 18011 1 1596 . 1 1 153 153 GLN HE21 H 1 6.792 0.05 . 2 . . . . 153 Q HE21 . 18011 1 1597 . 1 1 153 153 GLN HE22 H 1 7.819 0.05 . 2 . . . . 153 Q HE22 . 18011 1 1598 . 1 1 153 153 GLN C C 13 177.829 0.1 . 1 . . . . 153 Q CO . 18011 1 1599 . 1 1 153 153 GLN CA C 13 59.317 0.1 . 1 . . . . 153 Q CA . 18011 1 1600 . 1 1 153 153 GLN CB C 13 27.443 0.1 . 1 . . . . 153 Q CB . 18011 1 1601 . 1 1 153 153 GLN CG C 13 32.835 0.1 . 1 . . . . 153 Q CG . 18011 1 1602 . 1 1 153 153 GLN N N 15 115.800 0.2 . 1 . . . . 153 Q N . 18011 1 1603 . 1 1 153 153 GLN NE2 N 15 113.050 0.2 . 1 . . . . 153 Q NE2 . 18011 1 1604 . 1 1 154 154 GLU H H 1 7.324 0.05 . 1 . . . . 154 E H . 18011 1 1605 . 1 1 154 154 GLU HA H 1 3.988 0.05 . 1 . . . . 154 E HA . 18011 1 1606 . 1 1 154 154 GLU HB2 H 1 1.877 0.05 . 2 . . . . 154 E HB2 . 18011 1 1607 . 1 1 154 154 GLU HG2 H 1 2.249 0.05 . 2 . . . . 154 E HG2 . 18011 1 1608 . 1 1 154 154 GLU HG3 H 1 2.456 0.05 . 2 . . . . 154 E HG3 . 18011 1 1609 . 1 1 154 154 GLU C C 13 179.002 0.1 . 1 . . . . 154 E CO . 18011 1 1610 . 1 1 154 154 GLU CA C 13 59.732 0.1 . 1 . . . . 154 E CA . 18011 1 1611 . 1 1 154 154 GLU CB C 13 29.832 0.1 . 1 . . . . 154 E CB . 18011 1 1612 . 1 1 154 154 GLU CG C 13 37.474 0.1 . 1 . . . . 154 E CG . 18011 1 1613 . 1 1 154 154 GLU N N 15 118.178 0.2 . 1 . . . . 154 E N . 18011 1 1614 . 1 1 155 155 PHE H H 1 8.224 0.05 . 1 . . . . 155 F H . 18011 1 1615 . 1 1 155 155 PHE HA H 1 3.940 0.05 . 1 . . . . 155 F HA . 18011 1 1616 . 1 1 155 155 PHE HB2 H 1 2.788 0.05 . 2 . . . . 155 F HB2 . 18011 1 1617 . 1 1 155 155 PHE HB3 H 1 3.188 0.05 . 2 . . . . 155 F HB3 . 18011 1 1618 . 1 1 155 155 PHE HD1 H 1 6.390 0.05 . 3 . . . . 155 F HD1 . 18011 1 1619 . 1 1 155 155 PHE HD2 H 1 6.390 0.05 . 3 . . . . 155 F HD2 . 18011 1 1620 . 1 1 155 155 PHE HE1 H 1 6.857 0.05 . 3 . . . . 155 F HE1 . 18011 1 1621 . 1 1 155 155 PHE HE2 H 1 6.857 0.05 . 3 . . . . 155 F HE2 . 18011 1 1622 . 1 1 155 155 PHE HZ H 1 7.158 0.05 . 1 . . . . 155 F HZ . 18011 1 1623 . 1 1 155 155 PHE C C 13 176.519 0.1 . 1 . . . . 155 F CO . 18011 1 1624 . 1 1 155 155 PHE CA C 13 61.300 0.1 . 1 . . . . 155 F CA . 18011 1 1625 . 1 1 155 155 PHE CB C 13 39.555 0.1 . 1 . . . . 155 F CB . 18011 1 1626 . 1 1 155 155 PHE N N 15 121.680 0.2 . 1 . . . . 155 F N . 18011 1 1627 . 1 1 156 156 LYS H H 1 8.569 0.05 . 1 . . . . 156 K H . 18011 1 1628 . 1 1 156 156 LYS HA H 1 3.599 0.05 . 1 . . . . 156 K HA . 18011 1 1629 . 1 1 156 156 LYS HB2 H 1 1.808 0.05 . 2 . . . . 156 K HB2 . 18011 1 1630 . 1 1 156 156 LYS HG2 H 1 1.553 0.05 . 2 . . . . 156 K HG2 . 18011 1 1631 . 1 1 156 156 LYS HE2 H 1 2.742 0.05 . 2 . . . . 156 K HE2 . 18011 1 1632 . 1 1 156 156 LYS C C 13 180.245 0.1 . 1 . . . . 156 K CO . 18011 1 1633 . 1 1 156 156 LYS CA C 13 60.267 0.1 . 1 . . . . 156 K CA . 18011 1 1634 . 1 1 156 156 LYS CB C 13 32.346 0.1 . 1 . . . . 156 K CB . 18011 1 1635 . 1 1 156 156 LYS CG C 13 26.488 0.1 . 1 . . . . 156 K CG . 18011 1 1636 . 1 1 156 156 LYS CD C 13 29.773 0.1 . 1 . . . . 156 K CD . 18011 1 1637 . 1 1 156 156 LYS CE C 13 41.602 0.1 . 1 . . . . 156 K CE . 18011 1 1638 . 1 1 156 156 LYS N N 15 116.632 0.2 . 1 . . . . 156 K N . 18011 1 1639 . 1 1 157 157 GLU H H 1 7.685 0.05 . 1 . . . . 157 E H . 18011 1 1640 . 1 1 157 157 GLU HA H 1 3.984 0.05 . 1 . . . . 157 E HA . 18011 1 1641 . 1 1 157 157 GLU HB2 H 1 2.068 0.05 . 2 . . . . 157 E HB2 . 18011 1 1642 . 1 1 157 157 GLU HG2 H 1 2.501 0.05 . 2 . . . . 157 E HG2 . 18011 1 1643 . 1 1 157 157 GLU C C 13 177.323 0.1 . 1 . . . . 157 E CO . 18011 1 1644 . 1 1 157 157 GLU CA C 13 58.304 0.1 . 1 . . . . 157 E CA . 18011 1 1645 . 1 1 157 157 GLU CB C 13 29.388 0.1 . 1 . . . . 157 E CB . 18011 1 1646 . 1 1 157 157 GLU CG C 13 36.512 0.1 . 1 . . . . 157 E CG . 18011 1 1647 . 1 1 157 157 GLU N N 15 117.593 0.2 . 1 . . . . 157 E N . 18011 1 1648 . 1 1 158 158 ALA H H 1 7.539 0.05 . 1 . . . . 158 A H . 18011 1 1649 . 1 1 158 158 ALA HA H 1 4.336 0.05 . 1 . . . . 158 A HA . 18011 1 1650 . 1 1 158 158 ALA HB1 H 1 1.408 0.05 . 1 . . . . 158 A HB . 18011 1 1651 . 1 1 158 158 ALA HB2 H 1 1.408 0.05 . 1 . . . . 158 A HB . 18011 1 1652 . 1 1 158 158 ALA HB3 H 1 1.408 0.05 . 1 . . . . 158 A HB . 18011 1 1653 . 1 1 158 158 ALA C C 13 178.136 0.1 . 1 . . . . 158 A CO . 18011 1 1654 . 1 1 158 158 ALA CA C 13 52.769 0.1 . 1 . . . . 158 A CA . 18011 1 1655 . 1 1 158 158 ALA CB C 13 18.673 0.1 . 1 . . . . 158 A CB . 18011 1 1656 . 1 1 158 158 ALA N N 15 120.359 0.2 . 1 . . . . 158 A N . 18011 1 1657 . 1 1 159 159 LEU H H 1 7.240 0.05 . 1 . . . . 159 L H . 18011 1 1658 . 1 1 159 159 LEU HA H 1 4.075 0.05 . 1 . . . . 159 L HA . 18011 1 1659 . 1 1 159 159 LEU HB2 H 1 1.922 0.05 . 2 . . . . 159 L HB2 . 18011 1 1660 . 1 1 159 159 LEU HG H 1 1.546 0.05 . 1 . . . . 159 L HG . 18011 1 1661 . 1 1 159 159 LEU HD11 H 1 0.489 0.05 . 2 . . . . 159 L HD1 . 18011 1 1662 . 1 1 159 159 LEU HD12 H 1 0.489 0.05 . 2 . . . . 159 L HD1 . 18011 1 1663 . 1 1 159 159 LEU HD13 H 1 0.489 0.05 . 2 . . . . 159 L HD1 . 18011 1 1664 . 1 1 159 159 LEU HD21 H 1 0.742 0.05 . 2 . . . . 159 L HD2 . 18011 1 1665 . 1 1 159 159 LEU HD22 H 1 0.742 0.05 . 2 . . . . 159 L HD2 . 18011 1 1666 . 1 1 159 159 LEU HD23 H 1 0.742 0.05 . 2 . . . . 159 L HD2 . 18011 1 1667 . 1 1 159 159 LEU CA C 13 59.859 0.1 . 1 . . . . 159 L CA . 18011 1 1668 . 1 1 159 159 LEU CB C 13 38.226 0.1 . 1 . . . . 159 L CB . 18011 1 1669 . 1 1 159 159 LEU CD1 C 13 22.480 0.1 . 2 . . . . 159 L CD1 . 18011 1 1670 . 1 1 159 159 LEU CD2 C 13 25.282 0.1 . 2 . . . . 159 L CD2 . 18011 1 1671 . 1 1 159 159 LEU N N 15 117.471 0.2 . 1 . . . . 159 L N . 18011 1 1672 . 1 1 160 160 PRO HA H 1 4.337 0.05 . 1 . . . . 160 P HA . 18011 1 1673 . 1 1 160 160 PRO HB2 H 1 1.881 0.05 . 2 . . . . 160 P HB2 . 18011 1 1674 . 1 1 160 160 PRO HB3 H 1 2.366 0.05 . 2 . . . . 160 P HB3 . 18011 1 1675 . 1 1 160 160 PRO HG2 H 1 2.110 0.05 . 2 . . . . 160 P HG2 . 18011 1 1676 . 1 1 160 160 PRO HD2 H 1 3.811 0.05 . 2 . . . . 160 P HD2 . 18011 1 1677 . 1 1 160 160 PRO C C 13 179.792 0.1 . 1 . . . . 160 P CO . 18011 1 1678 . 1 1 160 160 PRO CA C 13 66.458 0.1 . 1 . . . . 160 P CA . 18011 1 1679 . 1 1 160 160 PRO CB C 13 31.170 0.1 . 1 . . . . 160 P CB . 18011 1 1680 . 1 1 160 160 PRO CG C 13 28.180 0.1 . 1 . . . . 160 P CG . 18011 1 1681 . 1 1 160 160 PRO CD C 13 50.425 0.1 . 1 . . . . 160 P CD . 18011 1 1682 . 1 1 161 161 LYS H H 1 7.448 0.05 . 1 . . . . 161 K H . 18011 1 1683 . 1 1 161 161 LYS HA H 1 4.121 0.05 . 1 . . . . 161 K HA . 18011 1 1684 . 1 1 161 161 LYS HB2 H 1 1.798 0.05 . 2 . . . . 161 K HB2 . 18011 1 1685 . 1 1 161 161 LYS HE2 H 1 2.737 0.05 . 2 . . . . 161 K HE2 . 18011 1 1686 . 1 1 161 161 LYS HZ1 H 1 7.063 0.05 . 1 . . . . 161 K HZ . 18011 1 1687 . 1 1 161 161 LYS HZ2 H 1 7.063 0.05 . 1 . . . . 161 K HZ . 18011 1 1688 . 1 1 161 161 LYS HZ3 H 1 7.063 0.05 . 1 . . . . 161 K HZ . 18011 1 1689 . 1 1 161 161 LYS C C 13 179.477 0.1 . 1 . . . . 161 K CO . 18011 1 1690 . 1 1 161 161 LYS CA C 13 58.857 0.1 . 1 . . . . 161 K CA . 18011 1 1691 . 1 1 161 161 LYS CB C 13 31.926 0.1 . 1 . . . . 161 K CB . 18011 1 1692 . 1 1 161 161 LYS CG C 13 25.520 0.1 . 1 . . . . 161 K CG . 18011 1 1693 . 1 1 161 161 LYS CD C 13 28.863 0.1 . 1 . . . . 161 K CD . 18011 1 1694 . 1 1 161 161 LYS N N 15 117.808 0.2 . 1 . . . . 161 K N . 18011 1 1695 . 1 1 162 162 LEU H H 1 8.145 0.05 . 1 . . . . 162 L H . 18011 1 1696 . 1 1 162 162 LEU HA H 1 4.220 0.05 . 1 . . . . 162 L HA . 18011 1 1697 . 1 1 162 162 LEU HB2 H 1 1.937 0.05 . 2 . . . . 162 L HB2 . 18011 1 1698 . 1 1 162 162 LEU HB3 H 1 2.080 0.05 . 2 . . . . 162 L HB3 . 18011 1 1699 . 1 1 162 162 LEU HD11 H 1 0.878 0.05 . 2 . . . . 162 L HD1 . 18011 1 1700 . 1 1 162 162 LEU HD12 H 1 0.878 0.05 . 2 . . . . 162 L HD1 . 18011 1 1701 . 1 1 162 162 LEU HD13 H 1 0.878 0.05 . 2 . . . . 162 L HD1 . 18011 1 1702 . 1 1 162 162 LEU HD21 H 1 1.001 0.05 . 2 . . . . 162 L HD2 . 18011 1 1703 . 1 1 162 162 LEU HD22 H 1 1.001 0.05 . 2 . . . . 162 L HD2 . 18011 1 1704 . 1 1 162 162 LEU HD23 H 1 1.001 0.05 . 2 . . . . 162 L HD2 . 18011 1 1705 . 1 1 162 162 LEU CA C 13 57.955 0.1 . 1 . . . . 162 L CA . 18011 1 1706 . 1 1 162 162 LEU CB C 13 41.356 0.1 . 1 . . . . 162 L CB . 18011 1 1707 . 1 1 162 162 LEU CG C 13 27.808 0.1 . 1 . . . . 162 L CG . 18011 1 1708 . 1 1 162 162 LEU CD1 C 13 23.715 0.1 . 2 . . . . 162 L CD1 . 18011 1 1709 . 1 1 162 162 LEU CD2 C 13 25.897 0.1 . 2 . . . . 162 L CD2 . 18011 1 1710 . 1 1 162 162 LEU N N 15 119.626 0.2 . 1 . . . . 162 L N . 18011 1 1711 . 1 1 163 163 LYS H H 1 8.434 0.05 . 1 . . . . 163 K H . 18011 1 1712 . 1 1 163 163 LYS HA H 1 3.840 0.05 . 1 . . . . 163 K HA . 18011 1 1713 . 1 1 163 163 LYS HB2 H 1 2.032 0.05 . 2 . . . . 163 K HB2 . 18011 1 1714 . 1 1 163 163 LYS HG2 H 1 1.648 0.05 . 2 . . . . 163 K HG2 . 18011 1 1715 . 1 1 163 163 LYS HE2 H 1 2.766 0.05 . 2 . . . . 163 K HE2 . 18011 1 1716 . 1 1 163 163 LYS C C 13 178.603 0.1 . 1 . . . . 163 K CO . 18011 1 1717 . 1 1 163 163 LYS CA C 13 60.222 0.1 . 1 . . . . 163 K CA . 18011 1 1718 . 1 1 163 163 LYS CB C 13 32.136 0.1 . 1 . . . . 163 K CB . 18011 1 1719 . 1 1 163 163 LYS CG C 13 25.054 0.1 . 1 . . . . 163 K CG . 18011 1 1720 . 1 1 163 163 LYS CD C 13 29.362 0.1 . 1 . . . . 163 K CD . 18011 1 1721 . 1 1 163 163 LYS CE C 13 42.149 0.1 . 1 . . . . 163 K CE . 18011 1 1722 . 1 1 163 163 LYS N N 15 121.271 0.2 . 1 . . . . 163 K N . 18011 1 1723 . 1 1 164 164 GLU H H 1 7.613 0.05 . 1 . . . . 164 E H . 18011 1 1724 . 1 1 164 164 GLU HA H 1 4.031 0.05 . 1 . . . . 164 E HA . 18011 1 1725 . 1 1 164 164 GLU HB2 H 1 2.153 0.05 . 2 . . . . 164 E HB2 . 18011 1 1726 . 1 1 164 164 GLU HG2 H 1 2.412 0.05 . 2 . . . . 164 E HG2 . 18011 1 1727 . 1 1 164 164 GLU C C 13 177.016 0.1 . 1 . . . . 164 E CO . 18011 1 1728 . 1 1 164 164 GLU CA C 13 58.927 0.1 . 1 . . . . 164 E CA . 18011 1 1729 . 1 1 164 164 GLU CB C 13 29.456 0.1 . 1 . . . . 164 E CB . 18011 1 1730 . 1 1 164 164 GLU CG C 13 36.231 0.1 . 1 . . . . 164 E CG . 18011 1 1731 . 1 1 164 164 GLU N N 15 120.291 0.2 . 1 . . . . 164 E N . 18011 1 1732 . 1 1 165 165 TRP H H 1 7.643 0.05 . 1 . . . . 165 W H . 18011 1 1733 . 1 1 165 165 TRP HA H 1 4.481 0.05 . 1 . . . . 165 W HA . 18011 1 1734 . 1 1 165 165 TRP HB2 H 1 3.168 0.05 . 2 . . . . 165 W HB2 . 18011 1 1735 . 1 1 165 165 TRP HB3 H 1 3.610 0.05 . 2 . . . . 165 W HB3 . 18011 1 1736 . 1 1 165 165 TRP HD1 H 1 7.283 0.05 . 1 . . . . 165 W HD1 . 18011 1 1737 . 1 1 165 165 TRP HE1 H 1 10.533 0.05 . 1 . . . . 165 W HE1 . 18011 1 1738 . 1 1 165 165 TRP HE3 H 1 6.770 0.05 . 1 . . . . 165 W HE3 . 18011 1 1739 . 1 1 165 165 TRP HZ2 H 1 7.486 0.05 . 1 . . . . 165 W HZ2 . 18011 1 1740 . 1 1 165 165 TRP HZ3 H 1 7.495 0.05 . 1 . . . . 165 W HZ3 . 18011 1 1741 . 1 1 165 165 TRP HH2 H 1 6.667 0.05 . 1 . . . . 165 W HH2 . 18011 1 1742 . 1 1 165 165 TRP C C 13 174.689 0.1 . 1 . . . . 165 W CO . 18011 1 1743 . 1 1 165 165 TRP CA C 13 58.158 0.1 . 1 . . . . 165 W CA . 18011 1 1744 . 1 1 165 165 TRP CB C 13 29.631 0.1 . 1 . . . . 165 W CB . 18011 1 1745 . 1 1 165 165 TRP N N 15 120.009 0.2 . 1 . . . . 165 W N . 18011 1 1746 . 1 1 165 165 TRP NE1 N 15 130.853 0.2 . 1 . . . . 165 W NE1 . 18011 1 1747 . 1 1 166 166 GLY H H 1 7.495 0.05 . 1 . . . . 166 G H . 18011 1 1748 . 1 1 166 166 GLY HA2 H 1 3.497 0.05 . 2 . . . . 166 G HA2 . 18011 1 1749 . 1 1 166 166 GLY HA3 H 1 4.154 0.05 . 2 . . . . 166 G HA3 . 18011 1 1750 . 1 1 166 166 GLY C C 13 173.958 0.1 . 1 . . . . 166 G CO . 18011 1 1751 . 1 1 166 166 GLY CA C 13 44.539 0.1 . 1 . . . . 166 G CA . 18011 1 1752 . 1 1 166 166 GLY N N 15 102.711 0.2 . 1 . . . . 166 G N . 18011 1 1753 . 1 1 167 167 VAL H H 1 8.357 0.05 . 1 . . . . 167 V H . 18011 1 1754 . 1 1 167 167 VAL HA H 1 4.030 0.05 . 1 . . . . 167 V HA . 18011 1 1755 . 1 1 167 167 VAL HB H 1 1.983 0.05 . 1 . . . . 167 V HB . 18011 1 1756 . 1 1 167 167 VAL HG11 H 1 0.807 0.05 . 2 . . . . 167 V HG1 . 18011 1 1757 . 1 1 167 167 VAL HG12 H 1 0.807 0.05 . 2 . . . . 167 V HG1 . 18011 1 1758 . 1 1 167 167 VAL HG13 H 1 0.807 0.05 . 2 . . . . 167 V HG1 . 18011 1 1759 . 1 1 167 167 VAL HG21 H 1 1.372 0.05 . 2 . . . . 167 V HG2 . 18011 1 1760 . 1 1 167 167 VAL HG22 H 1 1.372 0.05 . 2 . . . . 167 V HG2 . 18011 1 1761 . 1 1 167 167 VAL HG23 H 1 1.372 0.05 . 2 . . . . 167 V HG2 . 18011 1 1762 . 1 1 167 167 VAL C C 13 172.752 0.1 . 1 . . . . 167 V CO . 18011 1 1763 . 1 1 167 167 VAL CA C 13 61.955 0.1 . 1 . . . . 167 V CA . 18011 1 1764 . 1 1 167 167 VAL CB C 13 33.670 0.1 . 1 . . . . 167 V CB . 18011 1 1765 . 1 1 167 167 VAL CG1 C 13 21.115 0.1 . 2 . . . . 167 V CG1 . 18011 1 1766 . 1 1 167 167 VAL CG2 C 13 19.536 0.1 . 2 . . . . 167 V CG2 . 18011 1 1767 . 1 1 167 167 VAL N N 15 122.239 0.2 . 1 . . . . 167 V N . 18011 1 1768 . 1 1 168 168 ASP H H 1 8.552 0.05 . 1 . . . . 168 D H . 18011 1 1769 . 1 1 168 168 ASP HA H 1 4.503 0.05 . 1 . . . . 168 D HA . 18011 1 1770 . 1 1 168 168 ASP HB2 H 1 2.438 0.05 . 2 . . . . 168 D HB2 . 18011 1 1771 . 1 1 168 168 ASP HB3 H 1 2.745 0.05 . 2 . . . . 168 D HB3 . 18011 1 1772 . 1 1 168 168 ASP C C 13 175.161 0.1 . 1 . . . . 168 D CO . 18011 1 1773 . 1 1 168 168 ASP CA C 13 53.513 0.1 . 1 . . . . 168 D CA . 18011 1 1774 . 1 1 168 168 ASP CB C 13 41.594 0.1 . 1 . . . . 168 D CB . 18011 1 1775 . 1 1 168 168 ASP N N 15 127.649 0.2 . 1 . . . . 168 D N . 18011 1 1776 . 1 1 169 169 ILE H H 1 8.188 0.05 . 1 . . . . 169 I H . 18011 1 1777 . 1 1 169 169 ILE HA H 1 4.380 0.05 . 1 . . . . 169 I HA . 18011 1 1778 . 1 1 169 169 ILE HB H 1 2.067 0.05 . 1 . . . . 169 I HB . 18011 1 1779 . 1 1 169 169 ILE HG12 H 1 1.421 0.05 . 2 . . . . 169 I HG12 . 18011 1 1780 . 1 1 169 169 ILE HG13 H 1 1.587 0.05 . 2 . . . . 169 I HG13 . 18011 1 1781 . 1 1 169 169 ILE HG21 H 1 0.880 0.05 . 1 . . . . 169 I HG2 . 18011 1 1782 . 1 1 169 169 ILE HG22 H 1 0.880 0.05 . 1 . . . . 169 I HG2 . 18011 1 1783 . 1 1 169 169 ILE HG23 H 1 0.880 0.05 . 1 . . . . 169 I HG2 . 18011 1 1784 . 1 1 169 169 ILE HD11 H 1 1.026 0.05 . 1 . . . . 169 I HD1 . 18011 1 1785 . 1 1 169 169 ILE HD12 H 1 1.026 0.05 . 1 . . . . 169 I HD1 . 18011 1 1786 . 1 1 169 169 ILE HD13 H 1 1.026 0.05 . 1 . . . . 169 I HD1 . 18011 1 1787 . 1 1 169 169 ILE C C 13 175.564 0.1 . 1 . . . . 169 I CO . 18011 1 1788 . 1 1 169 169 ILE CA C 13 59.539 0.1 . 1 . . . . 169 I CA . 18011 1 1789 . 1 1 169 169 ILE CB C 13 39.000 0.1 . 1 . . . . 169 I CB . 18011 1 1790 . 1 1 169 169 ILE CG1 C 13 27.350 0.1 . 1 . . . . 169 I CG1 . 18011 1 1791 . 1 1 169 169 ILE CG2 C 13 17.851 0.1 . 1 . . . . 169 I CG2 . 18011 1 1792 . 1 1 169 169 ILE CD1 C 13 13.562 0.1 . 1 . . . . 169 I CD1 . 18011 1 1793 . 1 1 169 169 ILE N N 15 125.867 0.2 . 1 . . . . 169 I N . 18011 1 1794 . 1 1 170 170 THR H H 1 8.432 0.05 . 1 . . . . 170 T H . 18011 1 1795 . 1 1 170 170 THR HA H 1 4.237 0.05 . 1 . . . . 170 T HA . 18011 1 1796 . 1 1 170 170 THR HB H 1 4.304 0.05 . 1 . . . . 170 T HB . 18011 1 1797 . 1 1 170 170 THR HG21 H 1 1.147 0.05 . 1 . . . . 170 T HG2 . 18011 1 1798 . 1 1 170 170 THR HG22 H 1 1.147 0.05 . 1 . . . . 170 T HG2 . 18011 1 1799 . 1 1 170 170 THR HG23 H 1 1.147 0.05 . 1 . . . . 170 T HG2 . 18011 1 1800 . 1 1 170 170 THR C C 13 174.532 0.1 . 1 . . . . 170 T CO . 18011 1 1801 . 1 1 170 170 THR CA C 13 62.896 0.1 . 1 . . . . 170 T CA . 18011 1 1802 . 1 1 170 170 THR CB C 13 69.329 0.1 . 1 . . . . 170 T CB . 18011 1 1803 . 1 1 170 170 THR CG2 C 13 21.745 0.1 . 1 . . . . 170 T CG2 . 18011 1 1804 . 1 1 170 170 THR N N 15 118.161 0.2 . 1 . . . . 170 T N . 18011 1 1805 . 1 1 171 171 ASP H H 1 7.634 0.05 . 1 . . . . 171 D H . 18011 1 1806 . 1 1 171 171 ASP HA H 1 4.796 0.05 . 1 . . . . 171 D HA . 18011 1 1807 . 1 1 171 171 ASP HB2 H 1 2.543 0.05 . 2 . . . . 171 D HB2 . 18011 1 1808 . 1 1 171 171 ASP HB3 H 1 2.904 0.05 . 2 . . . . 171 D HB3 . 18011 1 1809 . 1 1 171 171 ASP C C 13 174.987 0.1 . 1 . . . . 171 D CO . 18011 1 1810 . 1 1 171 171 ASP CA C 13 52.794 0.1 . 1 . . . . 171 D CA . 18011 1 1811 . 1 1 171 171 ASP CB C 13 41.086 0.1 . 1 . . . . 171 D CB . 18011 1 1812 . 1 1 171 171 ASP N N 15 121.342 0.2 . 1 . . . . 171 D N . 18011 1 1813 . 1 1 172 172 ALA H H 1 8.777 0.05 . 1 . . . . 172 A H . 18011 1 1814 . 1 1 172 172 ALA HA H 1 3.898 0.05 . 1 . . . . 172 A HA . 18011 1 1815 . 1 1 172 172 ALA HB1 H 1 1.417 0.05 . 1 . . . . 172 A HB . 18011 1 1816 . 1 1 172 172 ALA HB2 H 1 1.417 0.05 . 1 . . . . 172 A HB . 18011 1 1817 . 1 1 172 172 ALA HB3 H 1 1.417 0.05 . 1 . . . . 172 A HB . 18011 1 1818 . 1 1 172 172 ALA C C 13 178.333 0.1 . 1 . . . . 172 A CO . 18011 1 1819 . 1 1 172 172 ALA CA C 13 55.589 0.1 . 1 . . . . 172 A CA . 18011 1 1820 . 1 1 172 172 ALA CB C 13 19.891 0.1 . 1 . . . . 172 A CB . 18011 1 1821 . 1 1 172 172 ALA N N 15 125.630 0.2 . 1 . . . . 172 A N . 18011 1 1822 . 1 1 173 173 THR H H 1 8.120 0.05 . 1 . . . . 173 T H . 18011 1 1823 . 1 1 173 173 THR HA H 1 3.746 0.05 . 1 . . . . 173 T HA . 18011 1 1824 . 1 1 173 173 THR HB H 1 4.158 0.05 . 1 . . . . 173 T HB . 18011 1 1825 . 1 1 173 173 THR HG21 H 1 1.179 0.05 . 1 . . . . 173 T HG2 . 18011 1 1826 . 1 1 173 173 THR HG22 H 1 1.179 0.05 . 1 . . . . 173 T HG2 . 18011 1 1827 . 1 1 173 173 THR HG23 H 1 1.179 0.05 . 1 . . . . 173 T HG2 . 18011 1 1828 . 1 1 173 173 THR C C 13 175.975 0.1 . 1 . . . . 173 T CO . 18011 1 1829 . 1 1 173 173 THR CA C 13 66.826 0.1 . 1 . . . . 173 T CA . 18011 1 1830 . 1 1 173 173 THR CB C 13 68.265 0.1 . 1 . . . . 173 T CB . 18011 1 1831 . 1 1 173 173 THR CG2 C 13 21.950 0.1 . 1 . . . . 173 T CG2 . 18011 1 1832 . 1 1 173 173 THR N N 15 111.556 0.2 . 1 . . . . 173 T N . 18011 1 1833 . 1 1 174 174 THR H H 1 7.466 0.05 . 1 . . . . 174 T H . 18011 1 1834 . 1 1 174 174 THR HA H 1 3.849 0.05 . 1 . . . . 174 T HA . 18011 1 1835 . 1 1 174 174 THR HB H 1 3.960 0.05 . 1 . . . . 174 T HB . 18011 1 1836 . 1 1 174 174 THR HG21 H 1 1.168 0.05 . 1 . . . . 174 T HG2 . 18011 1 1837 . 1 1 174 174 THR HG22 H 1 1.168 0.05 . 1 . . . . 174 T HG2 . 18011 1 1838 . 1 1 174 174 THR HG23 H 1 1.168 0.05 . 1 . . . . 174 T HG2 . 18011 1 1839 . 1 1 174 174 THR C C 13 176.972 0.1 . 1 . . . . 174 T CO . 18011 1 1840 . 1 1 174 174 THR CA C 13 66.035 0.1 . 1 . . . . 174 T CA . 18011 1 1841 . 1 1 174 174 THR CB C 13 68.210 0.1 . 1 . . . . 174 T CB . 18011 1 1842 . 1 1 174 174 THR CG2 C 13 21.896 0.1 . 1 . . . . 174 T CG2 . 18011 1 1843 . 1 1 174 174 THR N N 15 117.085 0.2 . 1 . . . . 174 T N . 18011 1 1844 . 1 1 175 175 VAL H H 1 7.410 0.05 . 1 . . . . 175 V H . 18011 1 1845 . 1 1 175 175 VAL HA H 1 3.605 0.05 . 1 . . . . 175 V HA . 18011 1 1846 . 1 1 175 175 VAL HB H 1 1.896 0.05 . 1 . . . . 175 V HB . 18011 1 1847 . 1 1 175 175 VAL HG11 H 1 1.153 0.05 . 2 . . . . 175 V HG1 . 18011 1 1848 . 1 1 175 175 VAL HG12 H 1 1.153 0.05 . 2 . . . . 175 V HG1 . 18011 1 1849 . 1 1 175 175 VAL HG13 H 1 1.153 0.05 . 2 . . . . 175 V HG1 . 18011 1 1850 . 1 1 175 175 VAL HG21 H 1 0.552 0.05 . 2 . . . . 175 V HG2 . 18011 1 1851 . 1 1 175 175 VAL HG22 H 1 0.552 0.05 . 2 . . . . 175 V HG2 . 18011 1 1852 . 1 1 175 175 VAL HG23 H 1 0.552 0.05 . 2 . . . . 175 V HG2 . 18011 1 1853 . 1 1 175 175 VAL C C 13 175.680 0.1 . 1 . . . . 175 V CO . 18011 1 1854 . 1 1 175 175 VAL CA C 13 66.107 0.1 . 1 . . . . 175 V CA . 18011 1 1855 . 1 1 175 175 VAL CB C 13 31.489 0.1 . 1 . . . . 175 V CB . 18011 1 1856 . 1 1 175 175 VAL CG1 C 13 23.706 0.1 . 2 . . . . 175 V CG1 . 18011 1 1857 . 1 1 175 175 VAL CG2 C 13 22.152 0.1 . 2 . . . . 175 V CG2 . 18011 1 1858 . 1 1 175 175 VAL N N 15 120.319 0.2 . 1 . . . . 175 V N . 18011 1 1859 . 1 1 176 176 PHE H H 1 8.369 0.05 . 1 . . . . 176 F H . 18011 1 1860 . 1 1 176 176 PHE HA H 1 4.654 0.05 . 1 . . . . 176 F HA . 18011 1 1861 . 1 1 176 176 PHE HB2 H 1 2.698 0.05 . 2 . . . . 176 F HB2 . 18011 1 1862 . 1 1 176 176 PHE HB3 H 1 2.957 0.05 . 2 . . . . 176 F HB3 . 18011 1 1863 . 1 1 176 176 PHE HD1 H 1 6.388 0.05 . 3 . . . . 176 F HD1 . 18011 1 1864 . 1 1 176 176 PHE HD2 H 1 6.388 0.05 . 3 . . . . 176 F HD2 . 18011 1 1865 . 1 1 176 176 PHE HE1 H 1 6.739 0.05 . 3 . . . . 176 F HE1 . 18011 1 1866 . 1 1 176 176 PHE HE2 H 1 6.739 0.05 . 3 . . . . 176 F HE2 . 18011 1 1867 . 1 1 176 176 PHE HZ H 1 6.990 0.05 . 1 . . . . 176 F HZ . 18011 1 1868 . 1 1 176 176 PHE C C 13 177.074 0.1 . 1 . . . . 176 F CO . 18011 1 1869 . 1 1 176 176 PHE CA C 13 62.286 0.1 . 1 . . . . 176 F CA . 18011 1 1870 . 1 1 176 176 PHE CB C 13 38.977 0.1 . 1 . . . . 176 F CB . 18011 1 1871 . 1 1 176 176 PHE N N 15 121.194 0.2 . 1 . . . . 176 F N . 18011 1 1872 . 1 1 177 177 ASN H H 1 7.594 0.05 . 1 . . . . 177 N H . 18011 1 1873 . 1 1 177 177 ASN HA H 1 4.235 0.05 . 1 . . . . 177 N HA . 18011 1 1874 . 1 1 177 177 ASN HB2 H 1 2.766 0.05 . 2 . . . . 177 N HB2 . 18011 1 1875 . 1 1 177 177 ASN HD21 H 1 6.853 0.05 . 2 . . . . 177 N HD21 . 18011 1 1876 . 1 1 177 177 ASN HD22 H 1 7.524 0.05 . 2 . . . . 177 N HD22 . 18011 1 1877 . 1 1 177 177 ASN C C 13 176.115 0.1 . 1 . . . . 177 N CO . 18011 1 1878 . 1 1 177 177 ASN CA C 13 55.396 0.1 . 1 . . . . 177 N CA . 18011 1 1879 . 1 1 177 177 ASN CB C 13 37.981 0.1 . 1 . . . . 177 N CB . 18011 1 1880 . 1 1 177 177 ASN N N 15 113.605 0.2 . 1 . . . . 177 N N . 18011 1 1881 . 1 1 178 178 GLU H H 1 7.488 0.05 . 1 . . . . 178 E H . 18011 1 1882 . 1 1 178 178 GLU HA H 1 3.880 0.05 . 1 . . . . 178 E HA . 18011 1 1883 . 1 1 178 178 GLU HB2 H 1 2.094 0.05 . 2 . . . . 178 E HB2 . 18011 1 1884 . 1 1 178 178 GLU HG2 H 1 2.382 0.05 . 2 . . . . 178 E HG2 . 18011 1 1885 . 1 1 178 178 GLU C C 13 177.628 0.1 . 1 . . . . 178 E CO . 18011 1 1886 . 1 1 178 178 GLU CA C 13 58.327 0.1 . 1 . . . . 178 E CA . 18011 1 1887 . 1 1 178 178 GLU CB C 13 29.564 0.1 . 1 . . . . 178 E CB . 18011 1 1888 . 1 1 178 178 GLU CG C 13 36.540 0.1 . 1 . . . . 178 E CG . 18011 1 1889 . 1 1 178 178 GLU N N 15 119.017 0.2 . 1 . . . . 178 E N . 18011 1 1890 . 1 1 179 179 ILE H H 1 7.079 0.05 . 1 . . . . 179 I H . 18011 1 1891 . 1 1 179 179 ILE HA H 1 3.508 0.05 . 1 . . . . 179 I HA . 18011 1 1892 . 1 1 179 179 ILE HB H 1 1.040 0.05 . 1 . . . . 179 I HB . 18011 1 1893 . 1 1 179 179 ILE HG12 H 1 -0.086 0.05 . 2 . . . . 179 I HG12 . 18011 1 1894 . 1 1 179 179 ILE HG13 H 1 0.947 0.05 . 2 . . . . 179 I HG13 . 18011 1 1895 . 1 1 179 179 ILE HG21 H 1 0.516 0.05 . 1 . . . . 179 I HG2 . 18011 1 1896 . 1 1 179 179 ILE HG22 H 1 0.516 0.05 . 1 . . . . 179 I HG2 . 18011 1 1897 . 1 1 179 179 ILE HG23 H 1 0.516 0.05 . 1 . . . . 179 I HG2 . 18011 1 1898 . 1 1 179 179 ILE HD11 H 1 -0.205 0.05 . 1 . . . . 179 I HD1 . 18011 1 1899 . 1 1 179 179 ILE HD12 H 1 -0.205 0.05 . 1 . . . . 179 I HD1 . 18011 1 1900 . 1 1 179 179 ILE HD13 H 1 -0.205 0.05 . 1 . . . . 179 I HD1 . 18011 1 1901 . 1 1 179 179 ILE C C 13 176.921 0.1 . 1 . . . . 179 I CO . 18011 1 1902 . 1 1 179 179 ILE CA C 13 63.275 0.1 . 1 . . . . 179 I CA . 18011 1 1903 . 1 1 179 179 ILE CB C 13 38.378 0.1 . 1 . . . . 179 I CB . 18011 1 1904 . 1 1 179 179 ILE CG1 C 13 26.644 0.1 . 1 . . . . 179 I CG1 . 18011 1 1905 . 1 1 179 179 ILE CG2 C 13 18.388 0.1 . 1 . . . . 179 I CG2 . 18011 1 1906 . 1 1 179 179 ILE CD1 C 13 14.162 0.1 . 1 . . . . 179 I CD1 . 18011 1 1907 . 1 1 179 179 ILE N N 15 118.131 0.2 . 1 . . . . 179 I N . 18011 1 1908 . 1 1 180 180 ASP H H 1 7.713 0.05 . 1 . . . . 180 D H . 18011 1 1909 . 1 1 180 180 ASP HA H 1 4.501 0.05 . 1 . . . . 180 D HA . 18011 1 1910 . 1 1 180 180 ASP HB2 H 1 1.607 0.05 . 2 . . . . 180 D HB2 . 18011 1 1911 . 1 1 180 180 ASP HB3 H 1 2.373 0.05 . 2 . . . . 180 D HB3 . 18011 1 1912 . 1 1 180 180 ASP C C 13 177.086 0.1 . 1 . . . . 180 D CO . 18011 1 1913 . 1 1 180 180 ASP CA C 13 52.191 0.1 . 1 . . . . 180 D CA . 18011 1 1914 . 1 1 180 180 ASP CB C 13 39.117 0.1 . 1 . . . . 180 D CB . 18011 1 1915 . 1 1 180 180 ASP N N 15 119.336 0.2 . 1 . . . . 180 D N . 18011 1 1916 . 1 1 181 181 THR H H 1 7.907 0.05 . 1 . . . . 181 T H . 18011 1 1917 . 1 1 181 181 THR HA H 1 3.926 0.05 . 1 . . . . 181 T HA . 18011 1 1918 . 1 1 181 181 THR HG21 H 1 1.180 0.05 . 1 . . . . 181 T HG2 . 18011 1 1919 . 1 1 181 181 THR HG22 H 1 1.180 0.05 . 1 . . . . 181 T HG2 . 18011 1 1920 . 1 1 181 181 THR HG23 H 1 1.180 0.05 . 1 . . . . 181 T HG2 . 18011 1 1921 . 1 1 181 181 THR C C 13 176.145 0.1 . 1 . . . . 181 T CO . 18011 1 1922 . 1 1 181 181 THR CA C 13 64.553 0.1 . 1 . . . . 181 T CA . 18011 1 1923 . 1 1 181 181 THR CB C 13 68.826 0.1 . 1 . . . . 181 T CB . 18011 1 1924 . 1 1 181 181 THR CG2 C 13 22.050 0.1 . 1 . . . . 181 T CG2 . 18011 1 1925 . 1 1 181 181 THR N N 15 116.288 0.2 . 1 . . . . 181 T N . 18011 1 1926 . 1 1 182 182 ASN H H 1 8.338 0.05 . 1 . . . . 182 N H . 18011 1 1927 . 1 1 182 182 ASN HA H 1 4.751 0.05 . 1 . . . . 182 N HA . 18011 1 1928 . 1 1 182 182 ASN HB2 H 1 2.812 0.05 . 2 . . . . 182 N HB2 . 18011 1 1929 . 1 1 182 182 ASN C C 13 176.232 0.1 . 1 . . . . 182 N CO . 18011 1 1930 . 1 1 182 182 ASN CA C 13 52.903 0.1 . 1 . . . . 182 N CA . 18011 1 1931 . 1 1 182 182 ASN CB C 13 38.438 0.1 . 1 . . . . 182 N CB . 18011 1 1932 . 1 1 182 182 ASN N N 15 116.816 0.2 . 1 . . . . 182 N N . 18011 1 1933 . 1 1 183 183 GLY H H 1 7.868 0.05 . 1 . . . . 183 G H . 18011 1 1934 . 1 1 183 183 GLY HA2 H 1 3.789 0.05 . 2 . . . . 183 G HA2 . 18011 1 1935 . 1 1 183 183 GLY HA3 H 1 3.851 0.05 . 2 . . . . 183 G HA3 . 18011 1 1936 . 1 1 183 183 GLY C C 13 175.582 0.1 . 1 . . . . 183 G CO . 18011 1 1937 . 1 1 183 183 GLY CA C 13 47.358 0.1 . 1 . . . . 183 G CA . 18011 1 1938 . 1 1 183 183 GLY N N 15 111.039 0.2 . 1 . . . . 183 G N . 18011 1 1939 . 1 1 184 184 SER H H 1 9.339 0.05 . 1 . . . . 184 S H . 18011 1 1940 . 1 1 184 184 SER HA H 1 4.292 0.05 . 1 . . . . 184 S HA . 18011 1 1941 . 1 1 184 184 SER HB2 H 1 3.776 0.05 . 2 . . . . 184 S HB2 . 18011 1 1942 . 1 1 184 184 SER HB3 H 1 3.963 0.05 . 2 . . . . 184 S HB3 . 18011 1 1943 . 1 1 184 184 SER C C 13 176.158 0.1 . 1 . . . . 184 S CO . 18011 1 1944 . 1 1 184 184 SER CA C 13 59.701 0.1 . 1 . . . . 184 S CA . 18011 1 1945 . 1 1 184 184 SER CB C 13 64.828 0.1 . 1 . . . . 184 S CB . 18011 1 1946 . 1 1 184 184 SER N N 15 118.624 0.2 . 1 . . . . 184 S N . 18011 1 1947 . 1 1 185 185 GLY H H 1 10.853 0.05 . 1 . . . . 185 G H . 18011 1 1948 . 1 1 185 185 GLY HA2 H 1 4.288 0.05 . 2 . . . . 185 G HA2 . 18011 1 1949 . 1 1 185 185 GLY HA3 H 1 3.625 0.05 . 2 . . . . 185 G HA3 . 18011 1 1950 . 1 1 185 185 GLY C C 13 172.690 0.1 . 1 . . . . 185 G CO . 18011 1 1951 . 1 1 185 185 GLY CA C 13 45.342 0.1 . 1 . . . . 185 G CA . 18011 1 1952 . 1 1 185 185 GLY N N 15 115.655 0.2 . 1 . . . . 185 G N . 18011 1 1953 . 1 1 186 186 VAL H H 1 7.606 0.05 . 1 . . . . 186 V H . 18011 1 1954 . 1 1 186 186 VAL HA H 1 4.943 0.05 . 1 . . . . 186 V HA . 18011 1 1955 . 1 1 186 186 VAL HB H 1 1.863 0.05 . 1 . . . . 186 V HB . 18011 1 1956 . 1 1 186 186 VAL HG11 H 1 0.774 0.05 . 2 . . . . 186 V HG1 . 18011 1 1957 . 1 1 186 186 VAL HG12 H 1 0.774 0.05 . 2 . . . . 186 V HG1 . 18011 1 1958 . 1 1 186 186 VAL HG13 H 1 0.774 0.05 . 2 . . . . 186 V HG1 . 18011 1 1959 . 1 1 186 186 VAL HG21 H 1 0.791 0.05 . 2 . . . . 186 V HG2 . 18011 1 1960 . 1 1 186 186 VAL HG22 H 1 0.791 0.05 . 2 . . . . 186 V HG2 . 18011 1 1961 . 1 1 186 186 VAL HG23 H 1 0.791 0.05 . 2 . . . . 186 V HG2 . 18011 1 1962 . 1 1 186 186 VAL C C 13 173.674 0.1 . 1 . . . . 186 V CO . 18011 1 1963 . 1 1 186 186 VAL CA C 13 60.056 0.1 . 1 . . . . 186 V CA . 18011 1 1964 . 1 1 186 186 VAL CB C 13 35.463 0.1 . 1 . . . . 186 V CB . 18011 1 1965 . 1 1 186 186 VAL CG1 C 13 20.548 0.1 . 2 . . . . 186 V CG1 . 18011 1 1966 . 1 1 186 186 VAL CG2 C 13 21.676 0.1 . 2 . . . . 186 V CG2 . 18011 1 1967 . 1 1 186 186 VAL N N 15 117.147 0.2 . 1 . . . . 186 V N . 18011 1 1968 . 1 1 187 187 VAL H H 1 8.654 0.05 . 1 . . . . 187 V H . 18011 1 1969 . 1 1 187 187 VAL HA H 1 4.653 0.05 . 1 . . . . 187 V HA . 18011 1 1970 . 1 1 187 187 VAL HB H 1 1.948 0.05 . 1 . . . . 187 V HB . 18011 1 1971 . 1 1 187 187 VAL HG11 H 1 0.479 0.05 . 2 . . . . 187 V HG1 . 18011 1 1972 . 1 1 187 187 VAL HG12 H 1 0.479 0.05 . 2 . . . . 187 V HG1 . 18011 1 1973 . 1 1 187 187 VAL HG13 H 1 0.479 0.05 . 2 . . . . 187 V HG1 . 18011 1 1974 . 1 1 187 187 VAL HG21 H 1 0.317 0.05 . 2 . . . . 187 V HG2 . 18011 1 1975 . 1 1 187 187 VAL HG22 H 1 0.317 0.05 . 2 . . . . 187 V HG2 . 18011 1 1976 . 1 1 187 187 VAL HG23 H 1 0.317 0.05 . 2 . . . . 187 V HG2 . 18011 1 1977 . 1 1 187 187 VAL C C 13 175.166 0.1 . 1 . . . . 187 V CO . 18011 1 1978 . 1 1 187 187 VAL CA C 13 58.456 0.1 . 1 . . . . 187 V CA . 18011 1 1979 . 1 1 187 187 VAL CB C 13 34.912 0.1 . 1 . . . . 187 V CB . 18011 1 1980 . 1 1 187 187 VAL CG1 C 13 19.885 0.1 . 2 . . . . 187 V CG1 . 18011 1 1981 . 1 1 187 187 VAL CG2 C 13 21.549 0.1 . 2 . . . . 187 V CG2 . 18011 1 1982 . 1 1 187 187 VAL N N 15 118.141 0.2 . 1 . . . . 187 V N . 18011 1 1983 . 1 1 188 188 THR H H 1 8.904 0.05 . 1 . . . . 188 T H . 18011 1 1984 . 1 1 188 188 THR HA H 1 4.827 0.05 . 1 . . . . 188 T HA . 18011 1 1985 . 1 1 188 188 THR HB H 1 4.792 0.05 . 1 . . . . 188 T HB . 18011 1 1986 . 1 1 188 188 THR HG21 H 1 1.245 0.05 . 1 . . . . 188 T HG2 . 18011 1 1987 . 1 1 188 188 THR HG22 H 1 1.245 0.05 . 1 . . . . 188 T HG2 . 18011 1 1988 . 1 1 188 188 THR HG23 H 1 1.245 0.05 . 1 . . . . 188 T HG2 . 18011 1 1989 . 1 1 188 188 THR C C 13 176.340 0.1 . 1 . . . . 188 T CO . 18011 1 1990 . 1 1 188 188 THR CA C 13 60.424 0.1 . 1 . . . . 188 T CA . 18011 1 1991 . 1 1 188 188 THR CB C 13 71.015 0.1 . 1 . . . . 188 T CB . 18011 1 1992 . 1 1 188 188 THR CG2 C 13 21.775 0.1 . 1 . . . . 188 T CG2 . 18011 1 1993 . 1 1 188 188 THR N N 15 113.328 0.2 . 1 . . . . 188 T N . 18011 1 1994 . 1 1 189 189 PHE H H 1 8.888 0.05 . 1 . . . . 189 F H . 18011 1 1995 . 1 1 189 189 PHE HA H 1 3.969 0.05 . 1 . . . . 189 F HA . 18011 1 1996 . 1 1 189 189 PHE HB2 H 1 3.057 0.05 . 2 . . . . 189 F HB2 . 18011 1 1997 . 1 1 189 189 PHE HD1 H 1 6.712 0.05 . 3 . . . . 189 F HD1 . 18011 1 1998 . 1 1 189 189 PHE HD2 H 1 7.908 0.05 . 3 . . . . 189 F HD2 . 18011 1 1999 . 1 1 189 189 PHE HE1 H 1 6.991 0.05 . 3 . . . . 189 F HE1 . 18011 1 2000 . 1 1 189 189 PHE HE2 H 1 7.456 0.05 . 3 . . . . 189 F HE2 . 18011 1 2001 . 1 1 189 189 PHE HZ H 1 6.371 0.05 . 1 . . . . 189 F HZ . 18011 1 2002 . 1 1 189 189 PHE C C 13 178.253 0.1 . 1 . . . . 189 F CO . 18011 1 2003 . 1 1 189 189 PHE CA C 13 63.055 0.1 . 1 . . . . 189 F CA . 18011 1 2004 . 1 1 189 189 PHE CB C 13 39.056 0.1 . 1 . . . . 189 F CB . 18011 1 2005 . 1 1 189 189 PHE N N 15 121.851 0.2 . 1 . . . . 189 F N . 18011 1 2006 . 1 1 190 190 ASP H H 1 8.767 0.05 . 1 . . . . 190 D H . 18011 1 2007 . 1 1 190 190 ASP HA H 1 4.202 0.05 . 1 . . . . 190 D HA . 18011 1 2008 . 1 1 190 190 ASP HB2 H 1 2.612 0.05 . 2 . . . . 190 D HB2 . 18011 1 2009 . 1 1 190 190 ASP C C 13 177.770 0.1 . 1 . . . . 190 D CO . 18011 1 2010 . 1 1 190 190 ASP CA C 13 58.213 0.1 . 1 . . . . 190 D CA . 18011 1 2011 . 1 1 190 190 ASP CB C 13 40.660 0.1 . 1 . . . . 190 D CB . 18011 1 2012 . 1 1 190 190 ASP N N 15 120.496 0.2 . 1 . . . . 190 D N . 18011 1 2013 . 1 1 191 191 GLU H H 1 7.883 0.05 . 1 . . . . 191 E H . 18011 1 2014 . 1 1 191 191 GLU HA H 1 3.952 0.05 . 1 . . . . 191 E HA . 18011 1 2015 . 1 1 191 191 GLU HB2 H 1 2.293 0.05 . 2 . . . . 191 E HB2 . 18011 1 2016 . 1 1 191 191 GLU HB3 H 1 2.427 0.05 . 2 . . . . 191 E HB3 . 18011 1 2017 . 1 1 191 191 GLU C C 13 179.932 0.1 . 1 . . . . 191 E CO . 18011 1 2018 . 1 1 191 191 GLU CA C 13 59.436 0.1 . 1 . . . . 191 E CA . 18011 1 2019 . 1 1 191 191 GLU CB C 13 29.997 0.1 . 1 . . . . 191 E CB . 18011 1 2020 . 1 1 191 191 GLU CG C 13 36.108 0.1 . 1 . . . . 191 E CG . 18011 1 2021 . 1 1 191 191 GLU N N 15 120.414 0.2 . 1 . . . . 191 E N . 18011 1 2022 . 1 1 192 192 PHE H H 1 8.466 0.05 . 1 . . . . 192 F H . 18011 1 2023 . 1 1 192 192 PHE HA H 1 4.171 0.05 . 1 . . . . 192 F HA . 18011 1 2024 . 1 1 192 192 PHE HB2 H 1 2.871 0.05 . 2 . . . . 192 F HB2 . 18011 1 2025 . 1 1 192 192 PHE HB3 H 1 2.957 0.05 . 2 . . . . 192 F HB3 . 18011 1 2026 . 1 1 192 192 PHE HD1 H 1 6.722 0.05 . 3 . . . . 192 F HD1 . 18011 1 2027 . 1 1 192 192 PHE HD2 H 1 6.397 0.05 . 3 . . . . 192 F HD2 . 18011 1 2028 . 1 1 192 192 PHE HE1 H 1 6.975 0.05 . 3 . . . . 192 F HE1 . 18011 1 2029 . 1 1 192 192 PHE HE2 H 1 6.791 0.05 . 3 . . . . 192 F HE2 . 18011 1 2030 . 1 1 192 192 PHE HZ H 1 7.105 0.05 . 1 . . . . 192 F HZ . 18011 1 2031 . 1 1 192 192 PHE C C 13 175.480 0.1 . 1 . . . . 192 F CO . 18011 1 2032 . 1 1 192 192 PHE CA C 13 60.268 0.1 . 1 . . . . 192 F CA . 18011 1 2033 . 1 1 192 192 PHE CB C 13 39.541 0.1 . 1 . . . . 192 F CB . 18011 1 2034 . 1 1 192 192 PHE N N 15 120.836 0.2 . 1 . . . . 192 F N . 18011 1 2035 . 1 1 193 193 SER H H 1 8.842 0.05 . 1 . . . . 193 S H . 18011 1 2036 . 1 1 193 193 SER HA H 1 4.229 0.05 . 1 . . . . 193 S HA . 18011 1 2037 . 1 1 193 193 SER HB2 H 1 3.214 0.05 . 2 . . . . 193 S HB2 . 18011 1 2038 . 1 1 193 193 SER HB3 H 1 3.425 0.05 . 2 . . . . 193 S HB3 . 18011 1 2039 . 1 1 193 193 SER C C 13 175.477 0.1 . 1 . . . . 193 S CO . 18011 1 2040 . 1 1 193 193 SER CA C 13 61.245 0.1 . 1 . . . . 193 S CA . 18011 1 2041 . 1 1 193 193 SER CB C 13 62.121 0.1 . 1 . . . . 193 S CB . 18011 1 2042 . 1 1 193 193 SER N N 15 115.736 0.2 . 1 . . . . 193 S N . 18011 1 2043 . 1 1 194 194 CYS H H 1 7.651 0.05 . 1 . . . . 194 C H . 18011 1 2044 . 1 1 194 194 CYS HA H 1 3.962 0.05 . 1 . . . . 194 C HA . 18011 1 2045 . 1 1 194 194 CYS HB2 H 1 2.859 0.05 . 2 . . . . 194 C HB2 . 18011 1 2046 . 1 1 194 194 CYS HB3 H 1 2.976 0.05 . 2 . . . . 194 C HB3 . 18011 1 2047 . 1 1 194 194 CYS C C 13 177.273 0.1 . 1 . . . . 194 C CO . 18011 1 2048 . 1 1 194 194 CYS CA C 13 63.467 0.1 . 1 . . . . 194 C CA . 18011 1 2049 . 1 1 194 194 CYS CB C 13 26.705 0.1 . 1 . . . . 194 C CB . 18011 1 2050 . 1 1 194 194 CYS N N 15 120.817 0.2 . 1 . . . . 194 C N . 18011 1 2051 . 1 1 195 195 TRP H H 1 7.602 0.05 . 1 . . . . 195 W H . 18011 1 2052 . 1 1 195 195 TRP HA H 1 3.962 0.05 . 1 . . . . 195 W HA . 18011 1 2053 . 1 1 195 195 TRP HB2 H 1 3.217 0.05 . 2 . . . . 195 W HB2 . 18011 1 2054 . 1 1 195 195 TRP HB3 H 1 3.466 0.05 . 2 . . . . 195 W HB3 . 18011 1 2055 . 1 1 195 195 TRP HD1 H 1 7.162 0.05 . 1 . . . . 195 W HD1 . 18011 1 2056 . 1 1 195 195 TRP HE1 H 1 10.306 0.05 . 1 . . . . 195 W HE1 . 18011 1 2057 . 1 1 195 195 TRP HE3 H 1 7.299 0.05 . 1 . . . . 195 W HE3 . 18011 1 2058 . 1 1 195 195 TRP HZ2 H 1 6.741 0.05 . 1 . . . . 195 W HZ2 . 18011 1 2059 . 1 1 195 195 TRP HZ3 H 1 6.784 0.05 . 1 . . . . 195 W HZ3 . 18011 1 2060 . 1 1 195 195 TRP HH2 H 1 6.939 0.05 . 1 . . . . 195 W HH2 . 18011 1 2061 . 1 1 195 195 TRP C C 13 177.444 0.1 . 1 . . . . 195 W CO . 18011 1 2062 . 1 1 195 195 TRP CA C 13 62.101 0.1 . 1 . . . . 195 W CA . 18011 1 2063 . 1 1 195 195 TRP CB C 13 28.227 0.1 . 1 . . . . 195 W CB . 18011 1 2064 . 1 1 195 195 TRP N N 15 121.951 0.2 . 1 . . . . 195 W N . 18011 1 2065 . 1 1 195 195 TRP NE1 N 15 130.123 0.2 . 1 . . . . 195 W NE1 . 18011 1 2066 . 1 1 196 196 ALA H H 1 8.520 0.05 . 1 . . . . 196 A H . 18011 1 2067 . 1 1 196 196 ALA HA H 1 3.117 0.05 . 1 . . . . 196 A HA . 18011 1 2068 . 1 1 196 196 ALA HB1 H 1 1.005 0.05 . 1 . . . . 196 A HB . 18011 1 2069 . 1 1 196 196 ALA HB2 H 1 1.005 0.05 . 1 . . . . 196 A HB . 18011 1 2070 . 1 1 196 196 ALA HB3 H 1 1.005 0.05 . 1 . . . . 196 A HB . 18011 1 2071 . 1 1 196 196 ALA C C 13 178.990 0.1 . 1 . . . . 196 A CO . 18011 1 2072 . 1 1 196 196 ALA CA C 13 55.312 0.1 . 1 . . . . 196 A CA . 18011 1 2073 . 1 1 196 196 ALA CB C 13 17.988 0.1 . 1 . . . . 196 A CB . 18011 1 2074 . 1 1 196 196 ALA N N 15 121.782 0.2 . 1 . . . . 196 A N . 18011 1 2075 . 1 1 197 197 VAL H H 1 8.281 0.05 . 1 . . . . 197 V H . 18011 1 2076 . 1 1 197 197 VAL HA H 1 3.614 0.05 . 1 . . . . 197 V HA . 18011 1 2077 . 1 1 197 197 VAL HB H 1 1.741 0.05 . 1 . . . . 197 V HB . 18011 1 2078 . 1 1 197 197 VAL HG11 H 1 0.591 0.05 . 2 . . . . 197 V HG1 . 18011 1 2079 . 1 1 197 197 VAL HG12 H 1 0.591 0.05 . 2 . . . . 197 V HG1 . 18011 1 2080 . 1 1 197 197 VAL HG13 H 1 0.591 0.05 . 2 . . . . 197 V HG1 . 18011 1 2081 . 1 1 197 197 VAL HG21 H 1 0.832 0.05 . 2 . . . . 197 V HG2 . 18011 1 2082 . 1 1 197 197 VAL HG22 H 1 0.832 0.05 . 2 . . . . 197 V HG2 . 18011 1 2083 . 1 1 197 197 VAL HG23 H 1 0.832 0.05 . 2 . . . . 197 V HG2 . 18011 1 2084 . 1 1 197 197 VAL C C 13 177.466 0.1 . 1 . . . . 197 V CO . 18011 1 2085 . 1 1 197 197 VAL CA C 13 66.453 0.1 . 1 . . . . 197 V CA . 18011 1 2086 . 1 1 197 197 VAL CB C 13 31.383 0.1 . 1 . . . . 197 V CB . 18011 1 2087 . 1 1 197 197 VAL CG1 C 13 22.463 0.1 . 2 . . . . 197 V CG1 . 18011 1 2088 . 1 1 197 197 VAL CG2 C 13 23.728 0.1 . 2 . . . . 197 V CG2 . 18011 1 2089 . 1 1 197 197 VAL N N 15 116.226 0.2 . 1 . . . . 197 V N . 18011 1 2090 . 1 1 198 198 THR H H 1 7.470 0.05 . 1 . . . . 198 T H . 18011 1 2091 . 1 1 198 198 THR HA H 1 4.194 0.05 . 1 . . . . 198 T HA . 18011 1 2092 . 1 1 198 198 THR HB H 1 3.562 0.05 . 1 . . . . 198 T HB . 18011 1 2093 . 1 1 198 198 THR HG21 H 1 1.057 0.05 . 1 . . . . 198 T HG2 . 18011 1 2094 . 1 1 198 198 THR HG22 H 1 1.057 0.05 . 1 . . . . 198 T HG2 . 18011 1 2095 . 1 1 198 198 THR HG23 H 1 1.057 0.05 . 1 . . . . 198 T HG2 . 18011 1 2096 . 1 1 198 198 THR CA C 13 66.538 0.1 . 1 . . . . 198 T CA . 18011 1 2097 . 1 1 198 198 THR CB C 13 68.202 0.1 . 1 . . . . 198 T CB . 18011 1 2098 . 1 1 198 198 THR CG2 C 13 21.432 0.1 . 1 . . . . 198 T CG2 . 18011 1 2099 . 1 1 198 198 THR N N 15 116.656 0.2 . 1 . . . . 198 T N . 18011 1 2100 . 1 1 199 199 LYS HA H 1 3.474 0.05 . 1 . . . . 199 K HA . 18011 1 2101 . 1 1 199 199 LYS HB2 H 1 0.981 0.05 . 2 . . . . 199 K HB2 . 18011 1 2102 . 1 1 199 199 LYS HG2 H 1 0.642 0.05 . 2 . . . . 199 K HG2 . 18011 1 2103 . 1 1 199 199 LYS HG3 H 1 0.795 0.05 . 2 . . . . 199 K HG3 . 18011 1 2104 . 1 1 199 199 LYS HD2 H 1 -0.444 0.05 . 2 . . . . 199 K HD2 . 18011 1 2105 . 1 1 199 199 LYS HD3 H 1 0.415 0.05 . 2 . . . . 199 K HD3 . 18011 1 2106 . 1 1 199 199 LYS HE2 H 1 2.181 0.05 . 2 . . . . 199 K HE2 . 18011 1 2107 . 1 1 199 199 LYS CA C 13 60.279 0.1 . 1 . . . . 199 K CA . 18011 1 2108 . 1 1 199 199 LYS CG C 13 26.366 0.1 . 1 . . . . 199 K CG . 18011 1 2109 . 1 1 199 199 LYS CD C 13 28.113 0.1 . 1 . . . . 199 K CD . 18011 1 2110 . 1 1 199 199 LYS CE C 13 42.046 0.1 . 1 . . . . 199 K CE . 18011 1 2111 . 1 1 200 200 LYS HA H 1 4.273 0.05 . 1 . . . . 200 K HA . 18011 1 2112 . 1 1 200 200 LYS HB2 H 1 1.728 0.05 . 2 . . . . 200 K HB2 . 18011 1 2113 . 1 1 200 200 LYS HB3 H 1 1.810 0.05 . 2 . . . . 200 K HB3 . 18011 1 2114 . 1 1 200 200 LYS HG2 H 1 1.372 0.05 . 2 . . . . 200 K HG2 . 18011 1 2115 . 1 1 200 200 LYS HD2 H 1 2.044 0.05 . 2 . . . . 200 K HD2 . 18011 1 2116 . 1 1 200 200 LYS HD3 H 1 2.138 0.05 . 2 . . . . 200 K HD3 . 18011 1 2117 . 1 1 200 200 LYS HE2 H 1 2.917 0.05 . 2 . . . . 200 K HE2 . 18011 1 2118 . 1 1 200 200 LYS C C 13 176.464 0.1 . 1 . . . . 200 K CO . 18011 1 2119 . 1 1 200 200 LYS CA C 13 56.694 0.1 . 1 . . . . 200 K CA . 18011 1 2120 . 1 1 200 200 LYS CB C 13 32.528 0.1 . 1 . . . . 200 K CB . 18011 1 2121 . 1 1 200 200 LYS CG C 13 24.590 0.1 . 1 . . . . 200 K CG . 18011 1 2122 . 1 1 200 200 LYS CD C 13 29.451 0.1 . 1 . . . . 200 K CD . 18011 1 2123 . 1 1 200 200 LYS CE C 13 42.123 0.1 . 1 . . . . 200 K CE . 18011 1 2124 . 1 1 201 201 LEU H H 1 8.175 0.05 . 1 . . . . 201 L H . 18011 1 2125 . 1 1 201 201 LEU HA H 1 3.929 0.05 . 1 . . . . 201 L HA . 18011 1 2126 . 1 1 201 201 LEU HB2 H 1 1.319 0.05 . 2 . . . . 201 L HB2 . 18011 1 2127 . 1 1 201 201 LEU HB3 H 1 1.762 0.05 . 2 . . . . 201 L HB3 . 18011 1 2128 . 1 1 201 201 LEU HG H 1 1.749 0.05 . 1 . . . . 201 L HG . 18011 1 2129 . 1 1 201 201 LEU HD11 H 1 0.668 0.05 . 2 . . . . 201 L HD1 . 18011 1 2130 . 1 1 201 201 LEU HD12 H 1 0.668 0.05 . 2 . . . . 201 L HD1 . 18011 1 2131 . 1 1 201 201 LEU HD13 H 1 0.668 0.05 . 2 . . . . 201 L HD1 . 18011 1 2132 . 1 1 201 201 LEU HD21 H 1 0.752 0.05 . 2 . . . . 201 L HD2 . 18011 1 2133 . 1 1 201 201 LEU HD22 H 1 0.752 0.05 . 2 . . . . 201 L HD2 . 18011 1 2134 . 1 1 201 201 LEU HD23 H 1 0.752 0.05 . 2 . . . . 201 L HD2 . 18011 1 2135 . 1 1 201 201 LEU C C 13 179.677 0.1 . 1 . . . . 201 L CO . 18011 1 2136 . 1 1 201 201 LEU CA C 13 57.121 0.1 . 1 . . . . 201 L CA . 18011 1 2137 . 1 1 201 201 LEU CB C 13 41.530 0.1 . 1 . . . . 201 L CB . 18011 1 2138 . 1 1 201 201 LEU CG C 13 27.031 0.1 . 1 . . . . 201 L CG . 18011 1 2139 . 1 1 201 201 LEU CD1 C 13 23.953 0.1 . 2 . . . . 201 L CD1 . 18011 1 2140 . 1 1 201 201 LEU CD2 C 13 25.579 0.1 . 2 . . . . 201 L CD2 . 18011 1 2141 . 1 1 201 201 LEU N N 15 120.510 0.2 . 1 . . . . 201 L N . 18011 1 2142 . 1 1 202 202 GLN H H 1 7.781 0.05 . 1 . . . . 202 Q H . 18011 1 2143 . 1 1 202 202 GLN HA H 1 3.890 0.05 . 1 . . . . 202 Q HA . 18011 1 2144 . 1 1 202 202 GLN HB2 H 1 1.991 0.05 . 2 . . . . 202 Q HB2 . 18011 1 2145 . 1 1 202 202 GLN HB3 H 1 2.203 0.05 . 2 . . . . 202 Q HB3 . 18011 1 2146 . 1 1 202 202 GLN HG2 H 1 2.518 0.05 . 2 . . . . 202 Q HG2 . 18011 1 2147 . 1 1 202 202 GLN HG3 H 1 2.215 0.05 . 2 . . . . 202 Q HG3 . 18011 1 2148 . 1 1 202 202 GLN HE21 H 1 6.718 0.05 . 2 . . . . 202 Q HE21 . 18011 1 2149 . 1 1 202 202 GLN HE22 H 1 7.140 0.05 . 2 . . . . 202 Q HE22 . 18011 1 2150 . 1 1 202 202 GLN C C 13 177.871 0.1 . 1 . . . . 202 Q CO . 18011 1 2151 . 1 1 202 202 GLN CA C 13 58.584 0.1 . 1 . . . . 202 Q CA . 18011 1 2152 . 1 1 202 202 GLN CB C 13 28.648 0.1 . 1 . . . . 202 Q CB . 18011 1 2153 . 1 1 202 202 GLN CG C 13 34.243 0.1 . 1 . . . . 202 Q CG . 18011 1 2154 . 1 1 202 202 GLN N N 15 117.616 0.2 . 1 . . . . 202 Q N . 18011 1 2155 . 1 1 202 202 GLN NE2 N 15 110.887 0.2 . 1 . . . . 202 Q NE2 . 18011 1 2156 . 1 1 203 203 VAL H H 1 7.696 0.05 . 1 . . . . 203 V H . 18011 1 2157 . 1 1 203 203 VAL HA H 1 3.911 0.05 . 1 . . . . 203 V HA . 18011 1 2158 . 1 1 203 203 VAL HB H 1 2.083 0.05 . 1 . . . . 203 V HB . 18011 1 2159 . 1 1 203 203 VAL HG11 H 1 0.991 0.05 . 2 . . . . 203 V HG1 . 18011 1 2160 . 1 1 203 203 VAL HG12 H 1 0.991 0.05 . 2 . . . . 203 V HG1 . 18011 1 2161 . 1 1 203 203 VAL HG13 H 1 0.991 0.05 . 2 . . . . 203 V HG1 . 18011 1 2162 . 1 1 203 203 VAL HG21 H 1 0.946 0.05 . 2 . . . . 203 V HG2 . 18011 1 2163 . 1 1 203 203 VAL HG22 H 1 0.946 0.05 . 2 . . . . 203 V HG2 . 18011 1 2164 . 1 1 203 203 VAL HG23 H 1 0.946 0.05 . 2 . . . . 203 V HG2 . 18011 1 2165 . 1 1 203 203 VAL C C 13 177.578 0.1 . 1 . . . . 203 V CO . 18011 1 2166 . 1 1 203 203 VAL CA C 13 64.334 0.1 . 1 . . . . 203 V CA . 18011 1 2167 . 1 1 203 203 VAL CB C 13 32.443 0.1 . 1 . . . . 203 V CB . 18011 1 2168 . 1 1 203 203 VAL CG1 C 13 21.500 0.1 . 2 . . . . 203 V CG1 . 18011 1 2169 . 1 1 203 203 VAL CG2 C 13 21.122 0.1 . 2 . . . . 203 V CG2 . 18011 1 2170 . 1 1 203 203 VAL N N 15 116.319 0.2 . 1 . . . . 203 V N . 18011 1 2171 . 1 1 204 204 CYS H H 1 8.473 0.05 . 1 . . . . 204 C H . 18011 1 2172 . 1 1 204 204 CYS HA H 1 4.207 0.05 . 1 . . . . 204 C HA . 18011 1 2173 . 1 1 204 204 CYS HB2 H 1 2.800 0.05 . 2 . . . . 204 C HB2 . 18011 1 2174 . 1 1 204 204 CYS HB3 H 1 2.849 0.05 . 2 . . . . 204 C HB3 . 18011 1 2175 . 1 1 204 204 CYS C C 13 175.686 0.1 . 1 . . . . 204 C CO . 18011 1 2176 . 1 1 204 204 CYS CA C 13 60.816 0.1 . 1 . . . . 204 C CA . 18011 1 2177 . 1 1 204 204 CYS CB C 13 27.594 0.1 . 1 . . . . 204 C CB . 18011 1 2178 . 1 1 204 204 CYS N N 15 119.071 0.2 . 1 . . . . 204 C N . 18011 1 2179 . 1 1 205 205 GLY H H 1 7.796 0.05 . 1 . . . . 205 G H . 18011 1 2180 . 1 1 205 205 GLY HA2 H 1 3.761 0.05 . 2 . . . . 205 G HA2 . 18011 1 2181 . 1 1 205 205 GLY C C 13 173.843 0.1 . 1 . . . . 205 G CO . 18011 1 2182 . 1 1 205 205 GLY CA C 13 45.139 0.1 . 1 . . . . 205 G CA . 18011 1 2183 . 1 1 205 205 GLY N N 15 108.070 0.2 . 1 . . . . 205 G N . 18011 1 2184 . 1 1 206 206 ASP H H 1 8.270 0.05 . 1 . . . . 206 D H . 18011 1 2185 . 1 1 206 206 ASP HA H 1 4.697 0.05 . 1 . . . . 206 D HA . 18011 1 2186 . 1 1 206 206 ASP HB2 H 1 1.825 0.05 . 2 . . . . 206 D HB2 . 18011 1 2187 . 1 1 206 206 ASP HB3 H 1 2.104 0.05 . 2 . . . . 206 D HB3 . 18011 1 2188 . 1 1 206 206 ASP CA C 13 56.752 0.1 . 1 . . . . 206 D CA . 18011 1 2189 . 1 1 206 206 ASP CB C 13 41.342 0.1 . 1 . . . . 206 D CB . 18011 1 2190 . 1 1 206 206 ASP N N 15 120.759 0.2 . 1 . . . . 206 D N . 18011 1 2191 . 1 1 207 207 PRO HA H 1 4.265 0.05 . 1 . . . . 207 P HA . 18011 1 2192 . 1 1 207 207 PRO HB2 H 1 1.516 0.05 . 2 . . . . 207 P HB2 . 18011 1 2193 . 1 1 207 207 PRO HB3 H 1 1.929 0.05 . 2 . . . . 207 P HB3 . 18011 1 2194 . 1 1 207 207 PRO HD2 H 1 3.706 0.05 . 2 . . . . 207 P HD2 . 18011 1 2195 . 1 1 207 207 PRO HD3 H 1 3.905 0.05 . 2 . . . . 207 P HD3 . 18011 1 2196 . 1 1 207 207 PRO C C 13 176.110 0.1 . 1 . . . . 207 P CO . 18011 1 2197 . 1 1 207 207 PRO CA C 13 64.185 0.1 . 1 . . . . 207 P CA . 18011 1 2198 . 1 1 207 207 PRO CB C 13 31.353 0.1 . 1 . . . . 207 P CB . 18011 1 2199 . 1 1 207 207 PRO CG C 13 26.752 0.1 . 1 . . . . 207 P CG . 18011 1 2200 . 1 1 207 207 PRO CD C 13 50.588 0.1 . 1 . . . . 207 P CD . 18011 1 2201 . 1 1 208 208 ASP H H 1 7.738 0.05 . 1 . . . . 208 D H . 18011 1 2202 . 1 1 208 208 ASP HA H 1 4.537 0.05 . 1 . . . . 208 D HA . 18011 1 2203 . 1 1 208 208 ASP HB2 H 1 2.353 0.05 . 2 . . . . 208 D HB2 . 18011 1 2204 . 1 1 208 208 ASP HB3 H 1 2.581 0.05 . 2 . . . . 208 D HB3 . 18011 1 2205 . 1 1 208 208 ASP C C 13 176.941 0.1 . 1 . . . . 208 D CO . 18011 1 2206 . 1 1 208 208 ASP CA C 13 54.445 0.1 . 1 . . . . 208 D CA . 18011 1 2207 . 1 1 208 208 ASP CB C 13 40.050 0.1 . 1 . . . . 208 D CB . 18011 1 2208 . 1 1 208 208 ASP N N 15 118.200 0.2 . 1 . . . . 208 D N . 18011 1 2209 . 1 1 209 209 GLY H H 1 7.645 0.05 . 1 . . . . 209 G H . 18011 1 2210 . 1 1 209 209 GLY HA2 H 1 3.787 0.05 . 2 . . . . 209 G HA2 . 18011 1 2211 . 1 1 209 209 GLY C C 13 172.352 0.1 . 1 . . . . 209 G CO . 18011 1 2212 . 1 1 209 209 GLY CA C 13 45.665 0.1 . 1 . . . . 209 G CA . 18011 1 2213 . 1 1 209 209 GLY N N 15 107.777 0.2 . 1 . . . . 209 G N . 18011 1 2214 . 1 1 210 210 GLU H H 1 8.260 0.05 . 1 . . . . 210 E H . 18011 1 2215 . 1 1 210 210 GLU HA H 1 4.200 0.05 . 1 . . . . 210 E HA . 18011 1 2216 . 1 1 210 210 GLU HB2 H 1 1.883 0.05 . 2 . . . . 210 E HB2 . 18011 1 2217 . 1 1 210 210 GLU HG2 H 1 2.183 0.05 . 2 . . . . 210 E HG2 . 18011 1 2218 . 1 1 210 210 GLU C C 13 176.619 0.1 . 1 . . . . 210 E CO . 18011 1 2219 . 1 1 210 210 GLU CA C 13 56.527 0.1 . 1 . . . . 210 E CA . 18011 1 2220 . 1 1 210 210 GLU CB C 13 30.201 0.1 . 1 . . . . 210 E CB . 18011 1 2221 . 1 1 210 210 GLU CG C 13 36.189 0.1 . 1 . . . . 210 E CG . 18011 1 2222 . 1 1 210 210 GLU N N 15 120.378 0.2 . 1 . . . . 210 E N . 18011 1 2223 . 1 1 211 211 GLU H H 1 8.544 0.05 . 1 . . . . 211 E H . 18011 1 2224 . 1 1 211 211 GLU HA H 1 4.200 0.05 . 1 . . . . 211 E HA . 18011 1 2225 . 1 1 211 211 GLU HB2 H 1 1.905 0.05 . 2 . . . . 211 E HB2 . 18011 1 2226 . 1 1 211 211 GLU HG2 H 1 2.179 0.05 . 2 . . . . 211 E HG2 . 18011 1 2227 . 1 1 211 211 GLU C C 13 176.290 0.1 . 1 . . . . 211 E CO . 18011 1 2228 . 1 1 211 211 GLU CA C 13 56.677 0.1 . 1 . . . . 211 E CA . 18011 1 2229 . 1 1 211 211 GLU CB C 13 30.050 0.1 . 1 . . . . 211 E CB . 18011 1 2230 . 1 1 211 211 GLU CG C 13 36.132 0.1 . 1 . . . . 211 E CG . 18011 1 2231 . 1 1 211 211 GLU N N 15 122.301 0.2 . 1 . . . . 211 E N . 18011 1 2232 . 1 1 212 212 ASN H H 1 8.469 0.05 . 1 . . . . 212 N H . 18011 1 2233 . 1 1 212 212 ASN HA H 1 4.651 0.05 . 1 . . . . 212 N HA . 18011 1 2234 . 1 1 212 212 ASN HB2 H 1 2.732 0.05 . 2 . . . . 212 N HB2 . 18011 1 2235 . 1 1 212 212 ASN C C 13 175.766 0.1 . 1 . . . . 212 N CO . 18011 1 2236 . 1 1 212 212 ASN CA C 13 53.310 0.1 . 1 . . . . 212 N CA . 18011 1 2237 . 1 1 212 212 ASN CB C 13 39.139 0.1 . 1 . . . . 212 N CB . 18011 1 2238 . 1 1 212 212 ASN N N 15 120.000 0.2 . 1 . . . . 212 N N . 18011 1 2239 . 1 1 213 213 GLY H H 1 8.383 0.05 . 1 . . . . 213 G H . 18011 1 2240 . 1 1 213 213 GLY HA2 H 1 3.833 0.05 . 2 . . . . 213 G HA2 . 18011 1 2241 . 1 1 213 213 GLY C C 13 174.514 0.1 . 1 . . . . 213 G CO . 18011 1 2242 . 1 1 213 213 GLY CA C 13 45.589 0.1 . 1 . . . . 213 G CA . 18011 1 2243 . 1 1 213 213 GLY N N 15 109.573 0.2 . 1 . . . . 213 G N . 18011 1 2244 . 1 1 214 214 ALA H H 1 8.337 0.05 . 1 . . . . 214 A H . 18011 1 2245 . 1 1 214 214 ALA HA H 1 4.242 0.05 . 1 . . . . 214 A HA . 18011 1 2246 . 1 1 214 214 ALA HB1 H 1 1.320 0.05 . 1 . . . . 214 A HB . 18011 1 2247 . 1 1 214 214 ALA HB2 H 1 1.320 0.05 . 1 . . . . 214 A HB . 18011 1 2248 . 1 1 214 214 ALA HB3 H 1 1.320 0.05 . 1 . . . . 214 A HB . 18011 1 2249 . 1 1 214 214 ALA C C 13 177.607 0.1 . 1 . . . . 214 A CO . 18011 1 2250 . 1 1 214 214 ALA CA C 13 52.676 0.1 . 1 . . . . 214 A CA . 18011 1 2251 . 1 1 214 214 ALA CB C 13 19.034 0.1 . 1 . . . . 214 A CB . 18011 1 2252 . 1 1 214 214 ALA N N 15 123.707 0.2 . 1 . . . . 214 A N . 18011 1 2253 . 1 1 215 215 ASN H H 1 8.364 0.05 . 1 . . . . 215 N H . 18011 1 2254 . 1 1 215 215 ASN HA H 1 4.633 0.05 . 1 . . . . 215 N HA . 18011 1 2255 . 1 1 215 215 ASN HB2 H 1 2.737 0.05 . 2 . . . . 215 N HB2 . 18011 1 2256 . 1 1 215 215 ASN C C 13 175.324 0.1 . 1 . . . . 215 N CO . 18011 1 2257 . 1 1 215 215 ASN CA C 13 53.244 0.1 . 1 . . . . 215 N CA . 18011 1 2258 . 1 1 215 215 ASN CB C 13 39.069 0.1 . 1 . . . . 215 N CB . 18011 1 2259 . 1 1 215 215 ASN N N 15 117.538 0.2 . 1 . . . . 215 N N . 18011 1 2260 . 1 1 216 216 GLU H H 1 8.322 0.05 . 1 . . . . 216 E H . 18011 1 2261 . 1 1 216 216 GLU HA H 1 4.178 0.05 . 1 . . . . 216 E HA . 18011 1 2262 . 1 1 216 216 GLU HB2 H 1 1.898 0.05 . 2 . . . . 216 E HB2 . 18011 1 2263 . 1 1 216 216 GLU HG2 H 1 2.920 0.05 . 2 . . . . 216 E HG2 . 18011 1 2264 . 1 1 216 216 GLU C C 13 176.979 0.1 . 1 . . . . 216 E CO . 18011 1 2265 . 1 1 216 216 GLU CA C 13 57.065 0.1 . 1 . . . . 216 E CA . 18011 1 2266 . 1 1 216 216 GLU CB C 13 29.873 0.1 . 1 . . . . 216 E CB . 18011 1 2267 . 1 1 216 216 GLU CG C 13 35.972 0.1 . 1 . . . . 216 E CG . 18011 1 2268 . 1 1 216 216 GLU N N 15 120.990 0.2 . 1 . . . . 216 E N . 18011 1 2269 . 1 1 217 217 GLY H H 1 8.371 0.05 . 1 . . . . 217 G H . 18011 1 2270 . 1 1 217 217 GLY HA2 H 1 3.855 0.05 . 2 . . . . 217 G HA2 . 18011 1 2271 . 1 1 217 217 GLY C C 13 173.962 0.1 . 1 . . . . 217 G CO . 18011 1 2272 . 1 1 217 217 GLY CA C 13 45.541 0.1 . 1 . . . . 217 G CA . 18011 1 2273 . 1 1 217 217 GLY N N 15 109.157 0.2 . 1 . . . . 217 G N . 18011 1 2274 . 1 1 218 218 ASN H H 1 8.164 0.05 . 1 . . . . 218 N H . 18011 1 2275 . 1 1 218 218 ASN HA H 1 4.644 0.05 . 1 . . . . 218 N HA . 18011 1 2276 . 1 1 218 218 ASN HB2 H 1 2.713 0.05 . 2 . . . . 218 N HB2 . 18011 1 2277 . 1 1 218 218 ASN C C 13 175.342 0.1 . 1 . . . . 218 N CO . 18011 1 2278 . 1 1 218 218 ASN CA C 13 53.127 0.1 . 1 . . . . 218 N CA . 18011 1 2279 . 1 1 218 218 ASN CB C 13 38.779 0.1 . 1 . . . . 218 N CB . 18011 1 2280 . 1 1 218 218 ASN N N 15 118.473 0.2 . 1 . . . . 218 N N . 18011 1 stop_ save_