data_27313 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27313 _Entry.Title ; HusA from porphyromonas gingivalis ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2017-11-14 _Entry.Accession_date 2017-11-14 _Entry.Last_release_date 2017-11-15 _Entry.Original_release_date 2017-11-15 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details 'Solution structure of haemophore, HusA, from porphyromonas gingivalis' _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.ORCID _Entry_author.Entry_ID 1 David Gell . A. . . 27313 2 Ann Kwan . H. . . 27313 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'University of Tasmania' . 27313 2 . 'The University of Sydney' . 27313 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27313 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 622 27313 '15N chemical shifts' 201 27313 '1H chemical shifts' 1333 27313 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 . . 2018-10-26 2017-11-14 update BMRB 'update entry citation' 27313 1 . . 2018-10-02 2017-11-14 original author 'original release' 27313 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID GB AAQ67167.1 'hypothetical protein PG_2227' 27313 NCBI PG_RS09910 'Hypothetical protein' 27313 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 27313 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.1038/s41467-018-06470-0 _Citation.PubMed_ID 30291238 _Citation.Full_citation . _Citation.Title ; Structural properties of a haemophore facilitate targeted elimination of the pathogen Porphyromonas gingivalis ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nat. Commun.' _Citation.Journal_name_full 'Nature communications' _Citation.Journal_volume 9 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN 2041-1723 _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 4097 _Citation.Page_last 4097 _Citation.Year 2018 _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.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Jin-Long Gao J. L. . . 27313 1 2 Ann Kwan A. H. . . 27313 1 3 Anthony Yammine A. . . . 27313 1 4 Xiaoyan Zhou X. . . . 27313 1 5 Jill Trewhella J. . . . 27313 1 6 Barbara Hugrass B. M. . . 27313 1 7 Daniel Collins . . . . 27313 1 8 James Horne J. . . . 27313 1 9 Ping Ye P. . . . 27313 1 10 Derek Harty D. . . . 27313 1 11 Ky-Anh Nguyen K. A. . . 27313 1 12 David Gell D. A. . . 27313 1 13 Neil Hunter N. . . . 27313 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID haem 27313 1 haemophore 27313 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27313 _Assembly.ID 1 _Assembly.Name 'HusA monomer' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 21726.6 _Assembly.Enzyme_commission_number . _Assembly.Details 'Monomer by MALLS and SAXS' _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 'HusA trans-Pro200' 1 $HusA A . yes native no yes . . 'cis-trans isomerisation of Pro200 in the C-terminal tag is not biologically meaningful' 27313 1 2 'HusA cis-Pro200' 1 $HusA A . no native no yes . . . 27313 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_HusA _Entity.Sf_category entity _Entity.Sf_framecode HusA _Entity.Entry_ID 27313 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name HusA _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 ; MGQGTAYAEVMNRKVAALDS VPPTEYATLAADFSRIAAVE GSDWMAAYYTAYCRIIPAFG NPSEADRLCEEAESMLSKAE SLGGDLSEIACLRSMAASAR LLVNPQERWQTYGAESSRQL AVALEANPANPRAYFLQAQS LLYTPAQFGGGKDKALPFAE KSVSCYAAATVSPAYAPHWG EQQARQLLMLCKAETQELVP R ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details ; Residues 1, 2 are from the expression vector. Residues 3 to 196 correspond to UniProt: Q7MSY3, residues 24-217 Porphyromonas gingivalis gene PG_2227 Residues 197-201 are derived from the expression vector ; _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 201 _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 21726.6 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 yes NCBI PG_RS09910 . 'Hypothetical protein' . . . . . . . . . . . . . . 27313 1 2 yes GB AAQ67167.1 . 'Hypothetical protein Porphyromonas gingivalis gene PG_2227' . . . . . . . . . . . . . . 27313 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Haem binding protein / haemophore' 27313 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 22 MET . 27313 1 2 23 GLY . 27313 1 3 24 GLN . 27313 1 4 25 GLY . 27313 1 5 26 THR . 27313 1 6 27 ALA . 27313 1 7 28 TYR . 27313 1 8 29 ALA . 27313 1 9 30 GLU . 27313 1 10 31 VAL . 27313 1 11 32 MET . 27313 1 12 33 ASN . 27313 1 13 34 ARG . 27313 1 14 35 LYS . 27313 1 15 36 VAL . 27313 1 16 37 ALA . 27313 1 17 38 ALA . 27313 1 18 39 LEU . 27313 1 19 40 ASP . 27313 1 20 41 SER . 27313 1 21 42 VAL . 27313 1 22 43 PRO . 27313 1 23 44 PRO . 27313 1 24 45 THR . 27313 1 25 46 GLU . 27313 1 26 47 TYR . 27313 1 27 48 ALA . 27313 1 28 49 THR . 27313 1 29 50 LEU . 27313 1 30 51 ALA . 27313 1 31 52 ALA . 27313 1 32 53 ASP . 27313 1 33 54 PHE . 27313 1 34 55 SER . 27313 1 35 56 ARG . 27313 1 36 57 ILE . 27313 1 37 58 ALA . 27313 1 38 59 ALA . 27313 1 39 60 VAL . 27313 1 40 61 GLU . 27313 1 41 62 GLY . 27313 1 42 63 SER . 27313 1 43 64 ASP . 27313 1 44 65 TRP . 27313 1 45 66 MET . 27313 1 46 67 ALA . 27313 1 47 68 ALA . 27313 1 48 69 TYR . 27313 1 49 70 TYR . 27313 1 50 71 THR . 27313 1 51 72 ALA . 27313 1 52 73 TYR . 27313 1 53 74 CYS . 27313 1 54 75 ARG . 27313 1 55 76 ILE . 27313 1 56 77 ILE . 27313 1 57 78 PRO . 27313 1 58 79 ALA . 27313 1 59 80 PHE . 27313 1 60 81 GLY . 27313 1 61 82 ASN . 27313 1 62 83 PRO . 27313 1 63 84 SER . 27313 1 64 85 GLU . 27313 1 65 86 ALA . 27313 1 66 87 ASP . 27313 1 67 88 ARG . 27313 1 68 89 LEU . 27313 1 69 90 CYS . 27313 1 70 91 GLU . 27313 1 71 92 GLU . 27313 1 72 93 ALA . 27313 1 73 94 GLU . 27313 1 74 95 SER . 27313 1 75 96 MET . 27313 1 76 97 LEU . 27313 1 77 98 SER . 27313 1 78 99 LYS . 27313 1 79 100 ALA . 27313 1 80 101 GLU . 27313 1 81 102 SER . 27313 1 82 103 LEU . 27313 1 83 104 GLY . 27313 1 84 105 GLY . 27313 1 85 106 ASP . 27313 1 86 107 LEU . 27313 1 87 108 SER . 27313 1 88 109 GLU . 27313 1 89 110 ILE . 27313 1 90 111 ALA . 27313 1 91 112 CYS . 27313 1 92 113 LEU . 27313 1 93 114 ARG . 27313 1 94 115 SER . 27313 1 95 116 MET . 27313 1 96 117 ALA . 27313 1 97 118 ALA . 27313 1 98 119 SER . 27313 1 99 120 ALA . 27313 1 100 121 ARG . 27313 1 101 122 LEU . 27313 1 102 123 LEU . 27313 1 103 124 VAL . 27313 1 104 125 ASN . 27313 1 105 126 PRO . 27313 1 106 127 GLN . 27313 1 107 128 GLU . 27313 1 108 129 ARG . 27313 1 109 130 TRP . 27313 1 110 131 GLN . 27313 1 111 132 THR . 27313 1 112 133 TYR . 27313 1 113 134 GLY . 27313 1 114 135 ALA . 27313 1 115 136 GLU . 27313 1 116 137 SER . 27313 1 117 138 SER . 27313 1 118 139 ARG . 27313 1 119 140 GLN . 27313 1 120 141 LEU . 27313 1 121 142 ALA . 27313 1 122 143 VAL . 27313 1 123 144 ALA . 27313 1 124 145 LEU . 27313 1 125 146 GLU . 27313 1 126 147 ALA . 27313 1 127 148 ASN . 27313 1 128 149 PRO . 27313 1 129 150 ALA . 27313 1 130 151 ASN . 27313 1 131 152 PRO . 27313 1 132 153 ARG . 27313 1 133 154 ALA . 27313 1 134 155 TYR . 27313 1 135 156 PHE . 27313 1 136 157 LEU . 27313 1 137 158 GLN . 27313 1 138 159 ALA . 27313 1 139 160 GLN . 27313 1 140 161 SER . 27313 1 141 162 LEU . 27313 1 142 163 LEU . 27313 1 143 164 TYR . 27313 1 144 165 THR . 27313 1 145 166 PRO . 27313 1 146 167 ALA . 27313 1 147 168 GLN . 27313 1 148 169 PHE . 27313 1 149 170 GLY . 27313 1 150 171 GLY . 27313 1 151 172 GLY . 27313 1 152 173 LYS . 27313 1 153 174 ASP . 27313 1 154 175 LYS . 27313 1 155 176 ALA . 27313 1 156 177 LEU . 27313 1 157 178 PRO . 27313 1 158 179 PHE . 27313 1 159 180 ALA . 27313 1 160 181 GLU . 27313 1 161 182 LYS . 27313 1 162 183 SER . 27313 1 163 184 VAL . 27313 1 164 185 SER . 27313 1 165 186 CYS . 27313 1 166 187 TYR . 27313 1 167 188 ALA . 27313 1 168 189 ALA . 27313 1 169 190 ALA . 27313 1 170 191 THR . 27313 1 171 192 VAL . 27313 1 172 193 SER . 27313 1 173 194 PRO . 27313 1 174 195 ALA . 27313 1 175 196 TYR . 27313 1 176 197 ALA . 27313 1 177 198 PRO . 27313 1 178 199 HIS . 27313 1 179 200 TRP . 27313 1 180 201 GLY . 27313 1 181 202 GLU . 27313 1 182 203 GLN . 27313 1 183 204 GLN . 27313 1 184 205 ALA . 27313 1 185 206 ARG . 27313 1 186 207 GLN . 27313 1 187 208 LEU . 27313 1 188 209 LEU . 27313 1 189 210 MET . 27313 1 190 211 LEU . 27313 1 191 212 CYS . 27313 1 192 213 LYS . 27313 1 193 214 ALA . 27313 1 194 215 GLU . 27313 1 195 216 THR . 27313 1 196 217 GLN . 27313 1 197 218 GLU . 27313 1 198 219 LEU . 27313 1 199 220 VAL . 27313 1 200 221 PRO . 27313 1 201 222 ARG . 27313 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 27313 1 . GLY 2 2 27313 1 . GLN 3 3 27313 1 . GLY 4 4 27313 1 . THR 5 5 27313 1 . ALA 6 6 27313 1 . TYR 7 7 27313 1 . ALA 8 8 27313 1 . GLU 9 9 27313 1 . VAL 10 10 27313 1 . MET 11 11 27313 1 . ASN 12 12 27313 1 . ARG 13 13 27313 1 . LYS 14 14 27313 1 . VAL 15 15 27313 1 . ALA 16 16 27313 1 . ALA 17 17 27313 1 . LEU 18 18 27313 1 . ASP 19 19 27313 1 . SER 20 20 27313 1 . VAL 21 21 27313 1 . PRO 22 22 27313 1 . PRO 23 23 27313 1 . THR 24 24 27313 1 . GLU 25 25 27313 1 . TYR 26 26 27313 1 . ALA 27 27 27313 1 . THR 28 28 27313 1 . LEU 29 29 27313 1 . ALA 30 30 27313 1 . ALA 31 31 27313 1 . ASP 32 32 27313 1 . PHE 33 33 27313 1 . SER 34 34 27313 1 . ARG 35 35 27313 1 . ILE 36 36 27313 1 . ALA 37 37 27313 1 . ALA 38 38 27313 1 . VAL 39 39 27313 1 . GLU 40 40 27313 1 . GLY 41 41 27313 1 . SER 42 42 27313 1 . ASP 43 43 27313 1 . TRP 44 44 27313 1 . MET 45 45 27313 1 . ALA 46 46 27313 1 . ALA 47 47 27313 1 . TYR 48 48 27313 1 . TYR 49 49 27313 1 . THR 50 50 27313 1 . ALA 51 51 27313 1 . TYR 52 52 27313 1 . CYS 53 53 27313 1 . ARG 54 54 27313 1 . ILE 55 55 27313 1 . ILE 56 56 27313 1 . PRO 57 57 27313 1 . ALA 58 58 27313 1 . PHE 59 59 27313 1 . GLY 60 60 27313 1 . ASN 61 61 27313 1 . PRO 62 62 27313 1 . SER 63 63 27313 1 . GLU 64 64 27313 1 . ALA 65 65 27313 1 . ASP 66 66 27313 1 . ARG 67 67 27313 1 . LEU 68 68 27313 1 . CYS 69 69 27313 1 . GLU 70 70 27313 1 . GLU 71 71 27313 1 . ALA 72 72 27313 1 . GLU 73 73 27313 1 . SER 74 74 27313 1 . MET 75 75 27313 1 . LEU 76 76 27313 1 . SER 77 77 27313 1 . LYS 78 78 27313 1 . ALA 79 79 27313 1 . GLU 80 80 27313 1 . SER 81 81 27313 1 . LEU 82 82 27313 1 . GLY 83 83 27313 1 . GLY 84 84 27313 1 . ASP 85 85 27313 1 . LEU 86 86 27313 1 . SER 87 87 27313 1 . GLU 88 88 27313 1 . ILE 89 89 27313 1 . ALA 90 90 27313 1 . CYS 91 91 27313 1 . LEU 92 92 27313 1 . ARG 93 93 27313 1 . SER 94 94 27313 1 . MET 95 95 27313 1 . ALA 96 96 27313 1 . ALA 97 97 27313 1 . SER 98 98 27313 1 . ALA 99 99 27313 1 . ARG 100 100 27313 1 . LEU 101 101 27313 1 . LEU 102 102 27313 1 . VAL 103 103 27313 1 . ASN 104 104 27313 1 . PRO 105 105 27313 1 . GLN 106 106 27313 1 . GLU 107 107 27313 1 . ARG 108 108 27313 1 . TRP 109 109 27313 1 . GLN 110 110 27313 1 . THR 111 111 27313 1 . TYR 112 112 27313 1 . GLY 113 113 27313 1 . ALA 114 114 27313 1 . GLU 115 115 27313 1 . SER 116 116 27313 1 . SER 117 117 27313 1 . ARG 118 118 27313 1 . GLN 119 119 27313 1 . LEU 120 120 27313 1 . ALA 121 121 27313 1 . VAL 122 122 27313 1 . ALA 123 123 27313 1 . LEU 124 124 27313 1 . GLU 125 125 27313 1 . ALA 126 126 27313 1 . ASN 127 127 27313 1 . PRO 128 128 27313 1 . ALA 129 129 27313 1 . ASN 130 130 27313 1 . PRO 131 131 27313 1 . ARG 132 132 27313 1 . ALA 133 133 27313 1 . TYR 134 134 27313 1 . PHE 135 135 27313 1 . LEU 136 136 27313 1 . GLN 137 137 27313 1 . ALA 138 138 27313 1 . GLN 139 139 27313 1 . SER 140 140 27313 1 . LEU 141 141 27313 1 . LEU 142 142 27313 1 . TYR 143 143 27313 1 . THR 144 144 27313 1 . PRO 145 145 27313 1 . ALA 146 146 27313 1 . GLN 147 147 27313 1 . PHE 148 148 27313 1 . GLY 149 149 27313 1 . GLY 150 150 27313 1 . GLY 151 151 27313 1 . LYS 152 152 27313 1 . ASP 153 153 27313 1 . LYS 154 154 27313 1 . ALA 155 155 27313 1 . LEU 156 156 27313 1 . PRO 157 157 27313 1 . PHE 158 158 27313 1 . ALA 159 159 27313 1 . GLU 160 160 27313 1 . LYS 161 161 27313 1 . SER 162 162 27313 1 . VAL 163 163 27313 1 . SER 164 164 27313 1 . CYS 165 165 27313 1 . TYR 166 166 27313 1 . ALA 167 167 27313 1 . ALA 168 168 27313 1 . ALA 169 169 27313 1 . THR 170 170 27313 1 . VAL 171 171 27313 1 . SER 172 172 27313 1 . PRO 173 173 27313 1 . ALA 174 174 27313 1 . TYR 175 175 27313 1 . ALA 176 176 27313 1 . PRO 177 177 27313 1 . HIS 178 178 27313 1 . TRP 179 179 27313 1 . GLY 180 180 27313 1 . GLU 181 181 27313 1 . GLN 182 182 27313 1 . GLN 183 183 27313 1 . ALA 184 184 27313 1 . ARG 185 185 27313 1 . GLN 186 186 27313 1 . LEU 187 187 27313 1 . LEU 188 188 27313 1 . MET 189 189 27313 1 . LEU 190 190 27313 1 . CYS 191 191 27313 1 . LYS 192 192 27313 1 . ALA 193 193 27313 1 . GLU 194 194 27313 1 . THR 195 195 27313 1 . GLN 196 196 27313 1 . GLU 197 197 27313 1 . LEU 198 198 27313 1 . VAL 199 199 27313 1 . PRO 200 200 27313 1 . ARG 201 201 27313 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 27313 _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.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.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $HusA . 837 organism . 'Porphyromonas gingivalis' 'Porphyromonas gingivalis' . . Bacteria . Porphyromonas gingivalis 'strain W83' . . . . . . . . . . PG_2227 . 27313 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 27313 _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_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.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $HusA . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'Strain B' BL21(DE3) . . . . pET . . . 27313 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27313 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 HusA '[U-13C; U-15N]' . . 1 $HusA . . 0.9 0.3 1.5 mM . . . . 27313 1 2 'sodium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 27313 1 3 DSS 'natural abundance' . . . . . . 20 . . uM . . . . 27313 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 27313 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% 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 HusA '[U-13C; U-15N]' . . 1 $HusA . . 0.9 0.3 1.5 mM . . . . 27313 2 2 'sodium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 27313 2 3 DSS 'natural abundance' . . . . . . 20 . . uM . . . . 27313 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 27313 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 HusA 'natural abundance' . . 1 $HusA . . 0.9 0.3 1.5 mM . . . . 27313 3 2 'sodium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 27313 3 3 DSS 'natural abundance' . . . . . . 20 . . uM . . . . 27313 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 27313 _Sample.ID 4 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% 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 HusA 'natural abundance' . . 1 $HusA . . 0.9 0.3 1.5 mM . . . . 27313 4 2 'sodium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 27313 4 3 DSS 'natural abundance' . . . . . . 20 . . uM . . . . 27313 4 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 27313 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.01 . M 27313 1 pH 6.9 . pH 27313 1 pressure 1 . atm 27313 1 temperature 298 . K 27313 1 stop_ save_ save_sample_conditions_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_2 _Sample_condition_list.Entry_ID 27313 _Sample_condition_list.ID 2 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.01 . M 27313 2 pH 6.9 . pH 27313 2 pressure 1 . atm 27313 2 temperature 308 . K 27313 2 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 27313 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version 3.1 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 27313 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 27313 1 processing 27313 1 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 27313 _Software.ID 2 _Software.Type . _Software.Name SPARKY _Software.Version 3.115 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 27313 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 27313 2 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 27313 _Software.ID 3 _Software.Type . _Software.Name TALOS _Software.Version Talos+ _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 27313 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift calculation' 27313 3 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 27313 _Software.ID 4 _Software.Type . _Software.Name CYANA _Software.Version 3.97 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 27313 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 27313 4 stop_ save_ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID 27313 _Software.ID 5 _Software.Type . _Software.Name X-PLOR_NIH _Software.Version 2.45 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 27313 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 27313 5 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 27313 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'University of Sydney' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 27313 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details 'University of Sydney' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 27313 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details 'University of Tasmania' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 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 27313 _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 . 600 'University of Sydney' . . 27313 1 2 spectrometer_2 Bruker Avance . 800 'University of Sydney' . . 27313 1 3 spectrometer_3 Bruker Avance . 600 'University of Tasmania' . . 27313 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 27313 _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 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 27313 1 2 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 27313 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 27313 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 27313 1 5 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 27313 1 6 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 27313 1 7 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 27313 1 8 '3D HBCBCGCDHD' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 27313 1 9 '3D HBCBCGCDHDCEHE' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 27313 1 10 '2D 1H-1H TOCSY' no . . . . . . . . . . 4 $sample_4 isotropic . . 2 $sample_conditions_2 . . . . . . . . . . . . . . . . . . . . . 27313 1 11 '2D 1H-1H COSY' no . . . . . . . . . . 4 $sample_4 isotropic . . 2 $sample_conditions_2 . . . . . . . . . . . . . . . . . . . . . 27313 1 12 '2D 1H-1H NOESY' no . . . . . . . . . . 4 $sample_4 isotropic . . 2 $sample_conditions_2 . . . . . . . . . . . . . . . . . . . . . 27313 1 13 '2D 1H-1H NOESY' no . . . . . . . . . . 3 $sample_3 isotropic . . 2 $sample_conditions_2 . . . . . . . . . . . . . . . . . . . . . 27313 1 14 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . . . . . . . . . . . . . . . . . . . 27313 1 15 '3D CCH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . . . . . . . . . . . . . . . . . . . 27313 1 16 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 2 $sample_conditions_2 . . . . . . . . . . . . . . . . . . . . . 27313 1 17 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 2 $sample_conditions_2 . . . . . . . . . . . . . . . . . . . . . 27313 1 18 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . . . . . . . . . . . . . . . . . . . 27313 1 19 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 2 $sample_conditions_2 . . . . . . . . . . . . . . . . . . . . . 27313 1 20 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . . . . . . . . . . . . . . . . . . . 27313 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 27313 _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.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 27313 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 27313 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 27313 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 27313 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 2 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_2 _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 '3D HNCA' . . . 27313 1 2 '3D HNCACB' . . . 27313 1 3 '3D CBCA(CO)NH' . . . 27313 1 4 '3D HNCO' . . . 27313 1 5 '3D HBHA(CO)NH' . . . 27313 1 6 '3D H(CCO)NH' . . . 27313 1 7 '3D C(CO)NH' . . . 27313 1 8 '3D HBCBCGCDHD' . . . 27313 1 9 '3D HBCBCGCDHDCEHE' . . . 27313 1 10 '2D 1H-1H TOCSY' . . . 27313 1 11 '2D 1H-1H COSY' . . . 27313 1 12 '2D 1H-1H NOESY' . . . 27313 1 16 '3D 1H-15N NOESY' . . . 27313 1 19 '3D 1H-13C NOESY aromatic' . . . 27313 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.Ambiguity_set_ID _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 GLY HA2 H 1 4.092 0.000 . 2 . . . . . 25 GLY HA2 . 27313 1 2 . 1 1 4 4 GLY HA3 H 1 4.045 0.000 . 2 . . . . . 25 GLY HA3 . 27313 1 3 . 1 1 4 4 GLY CA C 13 45.610 0.003 . 1 . . . . . 25 GLY CA . 27313 1 4 . 1 1 5 5 THR HA H 1 4.335 0.001 . 1 . . . . . 26 THR HA . 27313 1 5 . 1 1 5 5 THR HB H 1 4.369 0.000 . 1 . . . . . 26 THR HB . 27313 1 6 . 1 1 5 5 THR HG21 H 1 1.244 0.000 . 1 . . . . . 26 THR QG2 . 27313 1 7 . 1 1 5 5 THR HG22 H 1 1.244 0.000 . 1 . . . . . 26 THR QG2 . 27313 1 8 . 1 1 5 5 THR HG23 H 1 1.244 0.000 . 1 . . . . . 26 THR QG2 . 27313 1 9 . 1 1 5 5 THR CA C 13 62.103 0.085 . 1 . . . . . 26 THR CA . 27313 1 10 . 1 1 5 5 THR CB C 13 69.971 0.038 . 1 . . . . . 26 THR CB . 27313 1 11 . 1 1 5 5 THR CG2 C 13 21.909 0.039 . 1 . . . . . 26 THR CG2 . 27313 1 12 . 1 1 6 6 ALA H H 1 8.411 0.000 . 1 . . . . . 27 ALA H . 27313 1 13 . 1 1 6 6 ALA HA H 1 4.276 0.000 . 1 . . . . . 27 ALA HA . 27313 1 14 . 1 1 6 6 ALA HB1 H 1 1.493 0.000 . 1 . . . . . 27 ALA HB . 27313 1 15 . 1 1 6 6 ALA HB2 H 1 1.493 0.000 . 1 . . . . . 27 ALA HB . 27313 1 16 . 1 1 6 6 ALA HB3 H 1 1.493 0.000 . 1 . . . . . 27 ALA HB . 27313 1 17 . 1 1 6 6 ALA CA C 13 53.936 0.003 . 1 . . . . . 27 ALA CA . 27313 1 18 . 1 1 6 6 ALA CB C 13 18.603 0.012 . 1 . . . . . 27 ALA CB . 27313 1 19 . 1 1 6 6 ALA N N 15 126.276 0.000 . 1 . . . . . 27 ALA N . 27313 1 20 . 1 1 7 7 TYR H H 1 8.348 0.004 . 1 . . . . . 28 TYR H . 27313 1 21 . 1 1 7 7 TYR HA H 1 3.979 0.003 . 1 . . . . . 28 TYR HA . 27313 1 22 . 1 1 7 7 TYR HB2 H 1 3.051 0.006 . 2 . . . . . 28 TYR HB2 . 27313 1 23 . 1 1 7 7 TYR HB3 H 1 2.759 0.006 . 2 . . . . . 28 TYR HB3 . 27313 1 24 . 1 1 7 7 TYR HD1 H 1 6.906 0.006 . 3 . . . . . 28 TYR QD . 27313 1 25 . 1 1 7 7 TYR HD2 H 1 6.906 0.006 . 3 . . . . . 28 TYR QD . 27313 1 26 . 1 1 7 7 TYR HE1 H 1 6.790 0.001 . 3 . . . . . 28 TYR QE . 27313 1 27 . 1 1 7 7 TYR HE2 H 1 6.790 0.001 . 3 . . . . . 28 TYR QE . 27313 1 28 . 1 1 7 7 TYR CA C 13 61.535 0.053 . 1 . . . . . 28 TYR CA . 27313 1 29 . 1 1 7 7 TYR CB C 13 38.524 0.065 . 1 . . . . . 28 TYR CB . 27313 1 30 . 1 1 7 7 TYR CD1 C 13 133.364 0.014 . 1 . . . . . 28 TYR CD1 . 27313 1 31 . 1 1 7 7 TYR CE1 C 13 119.056 0.045 . 1 . . . . . 28 TYR CE1 . 27313 1 32 . 1 1 7 7 TYR N N 15 120.741 0.027 . 1 . . . . . 28 TYR N . 27313 1 33 . 1 1 8 8 ALA H H 1 8.258 0.003 . 1 . . . . . 29 ALA H . 27313 1 34 . 1 1 8 8 ALA HA H 1 3.562 0.003 . 1 . . . . . 29 ALA HA . 27313 1 35 . 1 1 8 8 ALA HB1 H 1 1.618 0.003 . 1 . . . . . 29 ALA HB . 27313 1 36 . 1 1 8 8 ALA HB2 H 1 1.618 0.003 . 1 . . . . . 29 ALA HB . 27313 1 37 . 1 1 8 8 ALA HB3 H 1 1.618 0.003 . 1 . . . . . 29 ALA HB . 27313 1 38 . 1 1 8 8 ALA CA C 13 55.054 0.008 . 1 . . . . . 29 ALA CA . 27313 1 39 . 1 1 8 8 ALA CB C 13 18.767 0.004 . 1 . . . . . 29 ALA CB . 27313 1 40 . 1 1 8 8 ALA N N 15 119.544 0.005 . 1 . . . . . 29 ALA N . 27313 1 41 . 1 1 9 9 GLU H H 1 7.547 0.002 . 1 . . . . . 30 GLU H . 27313 1 42 . 1 1 9 9 GLU HA H 1 4.018 0.002 . 1 . . . . . 30 GLU HA . 27313 1 43 . 1 1 9 9 GLU HB2 H 1 2.099 0.005 . 2 . . . . . 30 GLU HB2 . 27313 1 44 . 1 1 9 9 GLU HB3 H 1 2.041 0.000 . 2 . . . . . 30 GLU HB3 . 27313 1 45 . 1 1 9 9 GLU HG2 H 1 2.227 0.006 . 2 . . . . . 30 GLU HG2 . 27313 1 46 . 1 1 9 9 GLU HG3 H 1 2.327 0.000 . 2 . . . . . 30 GLU HG3 . 27313 1 47 . 1 1 9 9 GLU CA C 13 59.375 0.031 . 1 . . . . . 30 GLU CA . 27313 1 48 . 1 1 9 9 GLU CB C 13 29.582 0.066 . 1 . . . . . 30 GLU CB . 27313 1 49 . 1 1 9 9 GLU CG C 13 36.469 0.053 . 1 . . . . . 30 GLU CG . 27313 1 50 . 1 1 9 9 GLU N N 15 116.708 0.015 . 1 . . . . . 30 GLU N . 27313 1 51 . 1 1 10 10 VAL H H 1 7.743 0.001 . 1 . . . . . 31 VAL H . 27313 1 52 . 1 1 10 10 VAL HA H 1 3.607 0.003 . 1 . . . . . 31 VAL HA . 27313 1 53 . 1 1 10 10 VAL HB H 1 1.907 0.002 . 1 . . . . . 31 VAL HB . 27313 1 54 . 1 1 10 10 VAL HG11 H 1 0.779 0.000 . 2 . . . . . 31 VAL QG1 . 27313 1 55 . 1 1 10 10 VAL HG12 H 1 0.779 0.000 . 2 . . . . . 31 VAL QG1 . 27313 1 56 . 1 1 10 10 VAL HG13 H 1 0.779 0.000 . 2 . . . . . 31 VAL QG1 . 27313 1 57 . 1 1 10 10 VAL HG21 H 1 0.898 0.004 . 2 . . . . . 31 VAL QG2 . 27313 1 58 . 1 1 10 10 VAL HG22 H 1 0.898 0.004 . 2 . . . . . 31 VAL QG2 . 27313 1 59 . 1 1 10 10 VAL HG23 H 1 0.898 0.004 . 2 . . . . . 31 VAL QG2 . 27313 1 60 . 1 1 10 10 VAL CA C 13 65.834 0.024 . 1 . . . . . 31 VAL CA . 27313 1 61 . 1 1 10 10 VAL CB C 13 31.555 0.051 . 1 . . . . . 31 VAL CB . 27313 1 62 . 1 1 10 10 VAL CG1 C 13 21.129 0.033 . 1 . . . . . 31 VAL CG1 . 27313 1 63 . 1 1 10 10 VAL CG2 C 13 22.599 0.051 . 1 . . . . . 31 VAL CG2 . 27313 1 64 . 1 1 10 10 VAL N N 15 119.668 0.005 . 1 . . . . . 31 VAL N . 27313 1 65 . 1 1 11 11 MET H H 1 8.075 0.003 . 1 . . . . . 32 MET H . 27313 1 66 . 1 1 11 11 MET HA H 1 3.960 0.004 . 1 . . . . . 32 MET HA . 27313 1 67 . 1 1 11 11 MET HB2 H 1 0.505 0.008 . 2 . . . . . 32 MET HB2 . 27313 1 68 . 1 1 11 11 MET HB3 H 1 0.765 0.004 . 2 . . . . . 32 MET HB3 . 27313 1 69 . 1 1 11 11 MET HG2 H 1 1.319 0.001 . 2 . . . . . 32 MET HG2 . 27313 1 70 . 1 1 11 11 MET HG3 H 1 0.989 0.002 . 2 . . . . . 32 MET HG3 . 27313 1 71 . 1 1 11 11 MET HE1 H 1 1.692 0.000 . 1 . . . . . 32 MET HE . 27313 1 72 . 1 1 11 11 MET HE2 H 1 1.692 0.000 . 1 . . . . . 32 MET HE . 27313 1 73 . 1 1 11 11 MET HE3 H 1 1.692 0.000 . 1 . . . . . 32 MET HE . 27313 1 74 . 1 1 11 11 MET CA C 13 56.511 0.033 . 1 . . . . . 32 MET CA . 27313 1 75 . 1 1 11 11 MET CB C 13 28.861 0.044 . 1 . . . . . 32 MET CB . 27313 1 76 . 1 1 11 11 MET CG C 13 32.751 0.053 . 1 . . . . . 32 MET CG . 27313 1 77 . 1 1 11 11 MET CE C 13 16.547 0.010 . 1 . . . . . 32 MET CE . 27313 1 78 . 1 1 11 11 MET N N 15 119.433 0.016 . 1 . . . . . 32 MET N . 27313 1 79 . 1 1 12 12 ASN H H 1 8.051 0.002 . 1 . . . . . 33 ASN H . 27313 1 80 . 1 1 12 12 ASN HA H 1 4.340 0.003 . 1 . . . . . 33 ASN HA . 27313 1 81 . 1 1 12 12 ASN HB2 H 1 2.919 0.005 . 2 . . . . . 33 ASN HB2 . 27313 1 82 . 1 1 12 12 ASN HB3 H 1 2.707 0.002 . 2 . . . . . 33 ASN HB3 . 27313 1 83 . 1 1 12 12 ASN HD21 H 1 7.317 0.008 . 2 . . . . . 33 ASN HD21 . 27313 1 84 . 1 1 12 12 ASN HD22 H 1 6.815 0.010 . 2 . . . . . 33 ASN HD22 . 27313 1 85 . 1 1 12 12 ASN CA C 13 56.805 0.015 . 1 . . . . . 33 ASN CA . 27313 1 86 . 1 1 12 12 ASN CB C 13 38.679 0.032 . 1 . . . . . 33 ASN CB . 27313 1 87 . 1 1 12 12 ASN N N 15 116.885 0.015 . 1 . . . . . 33 ASN N . 27313 1 88 . 1 1 12 12 ASN ND2 N 15 111.953 0.016 . 1 . . . . . 33 ASN ND2 . 27313 1 89 . 1 1 13 13 ARG H H 1 7.340 0.004 . 1 . . . . . 34 ARG H . 27313 1 90 . 1 1 13 13 ARG HA H 1 4.052 0.003 . 1 . . . . . 34 ARG HA . 27313 1 91 . 1 1 13 13 ARG HB2 H 1 1.881 0.000 . 2 . . . . . 34 ARG HB2 . 27313 1 92 . 1 1 13 13 ARG HB3 H 1 1.793 0.005 . 2 . . . . . 34 ARG HB3 . 27313 1 93 . 1 1 13 13 ARG HG2 H 1 1.731 0.001 . 2 . . . . . 34 ARG HG2 . 27313 1 94 . 1 1 13 13 ARG HG3 H 1 1.578 0.000 . 2 . . . . . 34 ARG HG3 . 27313 1 95 . 1 1 13 13 ARG HD2 H 1 3.178 0.000 . 2 . . . . . 34 ARG HD2 . 27313 1 96 . 1 1 13 13 ARG HD3 H 1 3.127 0.001 . 2 . . . . . 34 ARG HD3 . 27313 1 97 . 1 1 13 13 ARG CA C 13 59.240 0.034 . 1 . . . . . 34 ARG CA . 27313 1 98 . 1 1 13 13 ARG CB C 13 30.639 0.090 . 1 . . . . . 34 ARG CB . 27313 1 99 . 1 1 13 13 ARG CG C 13 27.720 0.072 . 1 . . . . . 34 ARG CG . 27313 1 100 . 1 1 13 13 ARG CD C 13 43.466 0.056 . 1 . . . . . 34 ARG CD . 27313 1 101 . 1 1 13 13 ARG N N 15 117.849 0.010 . 1 . . . . . 34 ARG N . 27313 1 102 . 1 1 14 14 LYS H H 1 8.509 0.003 . 1 . . . . . 35 LYS H . 27313 1 103 . 1 1 14 14 LYS HA H 1 3.914 0.005 . 1 . . . . . 35 LYS HA . 27313 1 104 . 1 1 14 14 LYS HB2 H 1 1.114 0.004 . 2 . . . . . 35 LYS HB2 . 27313 1 105 . 1 1 14 14 LYS HB3 H 1 1.538 0.004 . 2 . . . . . 35 LYS HB3 . 27313 1 106 . 1 1 14 14 LYS HG2 H 1 1.132 0.002 . 2 . . . . . 35 LYS HG2 . 27313 1 107 . 1 1 14 14 LYS HG3 H 1 0.828 0.003 . 2 . . . . . 35 LYS HG3 . 27313 1 108 . 1 1 14 14 LYS HD2 H 1 1.266 0.000 . 2 . . . . . 35 LYS HD2 . 27313 1 109 . 1 1 14 14 LYS HD3 H 1 1.046 0.000 . 2 . . . . . 35 LYS HD3 . 27313 1 110 . 1 1 14 14 LYS HE2 H 1 2.453 0.001 . 2 . . . . . 35 LYS HE2 . 27313 1 111 . 1 1 14 14 LYS HE3 H 1 2.531 0.000 . 2 . . . . . 35 LYS HE3 . 27313 1 112 . 1 1 14 14 LYS CA C 13 57.572 0.094 . 1 . . . . . 35 LYS CA . 27313 1 113 . 1 1 14 14 LYS CB C 13 31.941 0.037 . 1 . . . . . 35 LYS CB . 27313 1 114 . 1 1 14 14 LYS CG C 13 24.661 0.054 . 1 . . . . . 35 LYS CG . 27313 1 115 . 1 1 14 14 LYS CD C 13 27.233 0.034 . 1 . . . . . 35 LYS CD . 27313 1 116 . 1 1 14 14 LYS CE C 13 41.987 0.007 . 1 . . . . . 35 LYS CE . 27313 1 117 . 1 1 14 14 LYS N N 15 120.397 0.004 . 1 . . . . . 35 LYS N . 27313 1 118 . 1 1 15 15 VAL H H 1 8.689 0.003 . 1 . . . . . 36 VAL H . 27313 1 119 . 1 1 15 15 VAL HA H 1 3.527 0.006 . 1 . . . . . 36 VAL HA . 27313 1 120 . 1 1 15 15 VAL HB H 1 2.075 0.003 . 1 . . . . . 36 VAL HB . 27313 1 121 . 1 1 15 15 VAL HG11 H 1 0.826 0.003 . 2 . . . . . 36 VAL QG1 . 27313 1 122 . 1 1 15 15 VAL HG12 H 1 0.826 0.003 . 2 . . . . . 36 VAL QG1 . 27313 1 123 . 1 1 15 15 VAL HG13 H 1 0.826 0.003 . 2 . . . . . 36 VAL QG1 . 27313 1 124 . 1 1 15 15 VAL HG21 H 1 0.481 0.002 . 2 . . . . . 36 VAL QG2 . 27313 1 125 . 1 1 15 15 VAL HG22 H 1 0.481 0.002 . 2 . . . . . 36 VAL QG2 . 27313 1 126 . 1 1 15 15 VAL HG23 H 1 0.481 0.002 . 2 . . . . . 36 VAL QG2 . 27313 1 127 . 1 1 15 15 VAL CA C 13 66.240 0.012 . 1 . . . . . 36 VAL CA . 27313 1 128 . 1 1 15 15 VAL CB C 13 30.789 0.061 . 1 . . . . . 36 VAL CB . 27313 1 129 . 1 1 15 15 VAL CG1 C 13 21.702 0.027 . 1 . . . . . 36 VAL CG1 . 27313 1 130 . 1 1 15 15 VAL CG2 C 13 24.303 0.037 . 1 . . . . . 36 VAL CG2 . 27313 1 131 . 1 1 15 15 VAL N N 15 118.401 0.023 . 1 . . . . . 36 VAL N . 27313 1 132 . 1 1 16 16 ALA H H 1 7.525 0.002 . 1 . . . . . 37 ALA H . 27313 1 133 . 1 1 16 16 ALA HA H 1 4.239 0.001 . 1 . . . . . 37 ALA HA . 27313 1 134 . 1 1 16 16 ALA HB1 H 1 1.492 0.000 . 1 . . . . . 37 ALA HB . 27313 1 135 . 1 1 16 16 ALA HB2 H 1 1.492 0.000 . 1 . . . . . 37 ALA HB . 27313 1 136 . 1 1 16 16 ALA HB3 H 1 1.492 0.000 . 1 . . . . . 37 ALA HB . 27313 1 137 . 1 1 16 16 ALA CA C 13 55.187 0.040 . 1 . . . . . 37 ALA CA . 27313 1 138 . 1 1 16 16 ALA CB C 13 17.770 0.008 . 1 . . . . . 37 ALA CB . 27313 1 139 . 1 1 16 16 ALA N N 15 122.803 0.014 . 1 . . . . . 37 ALA N . 27313 1 140 . 1 1 17 17 ALA H H 1 7.376 0.002 . 1 . . . . . 38 ALA H . 27313 1 141 . 1 1 17 17 ALA HA H 1 4.197 0.000 . 1 . . . . . 38 ALA HA . 27313 1 142 . 1 1 17 17 ALA HB1 H 1 1.507 0.005 . 1 . . . . . 38 ALA HB . 27313 1 143 . 1 1 17 17 ALA HB2 H 1 1.507 0.005 . 1 . . . . . 38 ALA HB . 27313 1 144 . 1 1 17 17 ALA HB3 H 1 1.507 0.005 . 1 . . . . . 38 ALA HB . 27313 1 145 . 1 1 17 17 ALA CA C 13 54.355 0.015 . 1 . . . . . 38 ALA CA . 27313 1 146 . 1 1 17 17 ALA CB C 13 17.880 0.041 . 1 . . . . . 38 ALA CB . 27313 1 147 . 1 1 17 17 ALA N N 15 120.323 0.011 . 1 . . . . . 38 ALA N . 27313 1 148 . 1 1 18 18 LEU H H 1 7.643 0.002 . 1 . . . . . 39 LEU H . 27313 1 149 . 1 1 18 18 LEU HA H 1 3.923 0.002 . 1 . . . . . 39 LEU HA . 27313 1 150 . 1 1 18 18 LEU HB2 H 1 1.854 0.002 . 2 . . . . . 39 LEU HB2 . 27313 1 151 . 1 1 18 18 LEU HB3 H 1 1.799 0.000 . 2 . . . . . 39 LEU HB3 . 27313 1 152 . 1 1 18 18 LEU HG H 1 1.840 0.000 . 1 . . . . . 39 LEU HG . 27313 1 153 . 1 1 18 18 LEU HD11 H 1 0.671 0.002 . 2 . . . . . 39 LEU QD1 . 27313 1 154 . 1 1 18 18 LEU HD12 H 1 0.671 0.002 . 2 . . . . . 39 LEU QD1 . 27313 1 155 . 1 1 18 18 LEU HD13 H 1 0.671 0.002 . 2 . . . . . 39 LEU QD1 . 27313 1 156 . 1 1 18 18 LEU HD21 H 1 0.744 0.000 . 2 . . . . . 39 LEU QD2 . 27313 1 157 . 1 1 18 18 LEU HD22 H 1 0.744 0.000 . 2 . . . . . 39 LEU QD2 . 27313 1 158 . 1 1 18 18 LEU HD23 H 1 0.744 0.000 . 2 . . . . . 39 LEU QD2 . 27313 1 159 . 1 1 18 18 LEU CA C 13 57.676 0.028 . 1 . . . . . 39 LEU CA . 27313 1 160 . 1 1 18 18 LEU CB C 13 42.075 0.037 . 1 . . . . . 39 LEU CB . 27313 1 161 . 1 1 18 18 LEU CG C 13 26.468 0.187 . 1 . . . . . 39 LEU CG . 27313 1 162 . 1 1 18 18 LEU CD1 C 13 25.183 0.048 . 1 . . . . . 39 LEU CD1 . 27313 1 163 . 1 1 18 18 LEU CD2 C 13 26.282 0.018 . 1 . . . . . 39 LEU CD2 . 27313 1 164 . 1 1 18 18 LEU N N 15 118.437 0.003 . 1 . . . . . 39 LEU N . 27313 1 165 . 1 1 19 19 ASP H H 1 7.686 0.003 . 1 . . . . . 40 ASP H . 27313 1 166 . 1 1 19 19 ASP HA H 1 4.741 0.004 . 1 . . . . . 40 ASP HA . 27313 1 167 . 1 1 19 19 ASP HB2 H 1 2.771 0.000 . 2 . . . . . 40 ASP HB2 . 27313 1 168 . 1 1 19 19 ASP HB3 H 1 2.883 0.003 . 2 . . . . . 40 ASP HB3 . 27313 1 169 . 1 1 19 19 ASP CA C 13 56.002 0.003 . 1 . . . . . 40 ASP CA . 27313 1 170 . 1 1 19 19 ASP CB C 13 41.379 0.020 . 1 . . . . . 40 ASP CB . 27313 1 171 . 1 1 19 19 ASP N N 15 115.936 0.011 . 1 . . . . . 40 ASP N . 27313 1 172 . 1 1 20 20 SER H H 1 7.867 0.004 . 1 . . . . . 41 SER H . 27313 1 173 . 1 1 20 20 SER HA H 1 4.681 0.000 . 1 . . . . . 41 SER HA . 27313 1 174 . 1 1 20 20 SER HB2 H 1 3.849 0.004 . 2 . . . . . 41 SER HB2 . 27313 1 175 . 1 1 20 20 SER HB3 H 1 3.936 0.001 . 2 . . . . . 41 SER HB3 . 27313 1 176 . 1 1 20 20 SER CA C 13 58.719 0.003 . 1 . . . . . 41 SER CA . 27313 1 177 . 1 1 20 20 SER CB C 13 65.028 0.007 . 1 . . . . . 41 SER CB . 27313 1 178 . 1 1 20 20 SER N N 15 113.210 0.007 . 1 . . . . . 41 SER N . 27313 1 179 . 1 1 21 21 VAL H H 1 7.729 0.004 . 1 . . . . . 42 VAL H . 27313 1 180 . 1 1 21 21 VAL HA H 1 4.586 0.000 . 1 . . . . . 42 VAL HA . 27313 1 181 . 1 1 21 21 VAL HB H 1 2.190 0.002 . 1 . . . . . 42 VAL HB . 27313 1 182 . 1 1 21 21 VAL HG11 H 1 0.987 0.000 . 2 . . . . . 42 VAL QG1 . 27313 1 183 . 1 1 21 21 VAL HG12 H 1 0.987 0.000 . 2 . . . . . 42 VAL QG1 . 27313 1 184 . 1 1 21 21 VAL HG13 H 1 0.987 0.000 . 2 . . . . . 42 VAL QG1 . 27313 1 185 . 1 1 21 21 VAL HG21 H 1 0.991 0.002 . 2 . . . . . 42 VAL QG2 . 27313 1 186 . 1 1 21 21 VAL HG22 H 1 0.991 0.002 . 2 . . . . . 42 VAL QG2 . 27313 1 187 . 1 1 21 21 VAL HG23 H 1 0.991 0.002 . 2 . . . . . 42 VAL QG2 . 27313 1 188 . 1 1 21 21 VAL CA C 13 59.500 0.010 . 1 . . . . . 42 VAL CA . 27313 1 189 . 1 1 21 21 VAL CB C 13 32.782 0.007 . 1 . . . . . 42 VAL CB . 27313 1 190 . 1 1 21 21 VAL CG1 C 13 21.277 0.016 . 1 . . . . . 42 VAL CG1 . 27313 1 191 . 1 1 21 21 VAL CG2 C 13 20.032 0.019 . 1 . . . . . 42 VAL CG2 . 27313 1 192 . 1 1 21 21 VAL N N 15 121.048 0.005 . 1 . . . . . 42 VAL N . 27313 1 193 . 1 1 22 22 PRO HA H 1 4.793 0.001 . 1 . . . . . 43 PRO HA . 27313 1 194 . 1 1 22 22 PRO HB2 H 1 1.911 0.002 . 2 . . . . . 43 PRO HB2 . 27313 1 195 . 1 1 22 22 PRO HB3 H 1 2.398 0.001 . 2 . . . . . 43 PRO HB3 . 27313 1 196 . 1 1 22 22 PRO HG2 H 1 2.031 0.001 . 2 . . . . . 43 PRO HG2 . 27313 1 197 . 1 1 22 22 PRO HG3 H 1 2.003 0.000 . 2 . . . . . 43 PRO HG3 . 27313 1 198 . 1 1 22 22 PRO HD2 H 1 3.640 0.000 . 2 . . . . . 43 PRO HD2 . 27313 1 199 . 1 1 22 22 PRO HD3 H 1 3.857 0.000 . 2 . . . . . 43 PRO HD3 . 27313 1 200 . 1 1 22 22 PRO CA C 13 61.307 0.008 . 1 . . . . . 43 PRO CA . 27313 1 201 . 1 1 22 22 PRO CB C 13 31.482 0.030 . 1 . . . . . 43 PRO CB . 27313 1 202 . 1 1 22 22 PRO CG C 13 27.569 0.072 . 1 . . . . . 43 PRO CG . 27313 1 203 . 1 1 22 22 PRO CD C 13 50.680 0.031 . 1 . . . . . 43 PRO CD . 27313 1 204 . 1 1 23 23 PRO HA H 1 3.176 0.014 . 1 . . . . . 44 PRO HA . 27313 1 205 . 1 1 23 23 PRO HB2 H 1 1.755 0.004 . 2 . . . . . 44 PRO QB . 27313 1 206 . 1 1 23 23 PRO HB3 H 1 1.755 0.004 . 2 . . . . . 44 PRO QB . 27313 1 207 . 1 1 23 23 PRO HG2 H 1 1.957 0.000 . 2 . . . . . 44 PRO HG2 . 27313 1 208 . 1 1 23 23 PRO HG3 H 1 1.784 0.003 . 2 . . . . . 44 PRO HG3 . 27313 1 209 . 1 1 23 23 PRO HD2 H 1 3.780 0.002 . 2 . . . . . 44 PRO HD2 . 27313 1 210 . 1 1 23 23 PRO HD3 H 1 3.698 0.000 . 2 . . . . . 44 PRO HD3 . 27313 1 211 . 1 1 23 23 PRO CA C 13 64.567 0.017 . 1 . . . . . 44 PRO CA . 27313 1 212 . 1 1 23 23 PRO CB C 13 31.883 0.044 . 1 . . . . . 44 PRO CB . 27313 1 213 . 1 1 23 23 PRO CG C 13 27.646 0.029 . 1 . . . . . 44 PRO CG . 27313 1 214 . 1 1 23 23 PRO CD C 13 50.460 0.029 . 1 . . . . . 44 PRO CD . 27313 1 215 . 1 1 24 24 THR H H 1 6.954 0.003 . 1 . . . . . 45 THR H . 27313 1 216 . 1 1 24 24 THR HA H 1 4.075 0.003 . 1 . . . . . 45 THR HA . 27313 1 217 . 1 1 24 24 THR HB H 1 4.359 0.002 . 1 . . . . . 45 THR HB . 27313 1 218 . 1 1 24 24 THR HG21 H 1 1.255 0.002 . 1 . . . . . 45 THR QG2 . 27313 1 219 . 1 1 24 24 THR HG22 H 1 1.255 0.002 . 1 . . . . . 45 THR QG2 . 27313 1 220 . 1 1 24 24 THR HG23 H 1 1.255 0.002 . 1 . . . . . 45 THR QG2 . 27313 1 221 . 1 1 24 24 THR CA C 13 63.480 0.024 . 1 . . . . . 45 THR CA . 27313 1 222 . 1 1 24 24 THR CB C 13 68.362 0.022 . 1 . . . . . 45 THR CB . 27313 1 223 . 1 1 24 24 THR CG2 C 13 22.736 0.015 . 1 . . . . . 45 THR CG2 . 27313 1 224 . 1 1 24 24 THR N N 15 105.937 0.019 . 1 . . . . . 45 THR N . 27313 1 225 . 1 1 25 25 GLU H H 1 8.226 0.003 . 1 . . . . . 46 GLU H . 27313 1 226 . 1 1 25 25 GLU HA H 1 4.687 0.002 . 1 . . . . . 46 GLU HA . 27313 1 227 . 1 1 25 25 GLU HB2 H 1 1.849 0.000 . 2 . . . . . 46 GLU HB2 . 27313 1 228 . 1 1 25 25 GLU HB3 H 1 2.447 0.001 . 2 . . . . . 46 GLU HB3 . 27313 1 229 . 1 1 25 25 GLU HG2 H 1 2.179 0.002 . 2 . . . . . 46 GLU HG2 . 27313 1 230 . 1 1 25 25 GLU HG3 H 1 2.305 0.000 . 2 . . . . . 46 GLU HG3 . 27313 1 231 . 1 1 25 25 GLU CA C 13 55.822 0.019 . 1 . . . . . 46 GLU CA . 27313 1 232 . 1 1 25 25 GLU CB C 13 30.026 0.070 . 1 . . . . . 46 GLU CB . 27313 1 233 . 1 1 25 25 GLU CG C 13 36.320 0.066 . 1 . . . . . 46 GLU CG . 27313 1 234 . 1 1 25 25 GLU N N 15 120.341 0.005 . 1 . . . . . 46 GLU N . 27313 1 235 . 1 1 26 26 TYR H H 1 7.670 0.003 . 1 . . . . . 47 TYR H . 27313 1 236 . 1 1 26 26 TYR HA H 1 4.367 0.005 . 1 . . . . . 47 TYR HA . 27313 1 237 . 1 1 26 26 TYR HB2 H 1 3.247 0.000 . 2 . . . . . 47 TYR HB2 . 27313 1 238 . 1 1 26 26 TYR HB3 H 1 3.521 0.007 . 2 . . . . . 47 TYR HB3 . 27313 1 239 . 1 1 26 26 TYR HD1 H 1 6.973 0.001 . 3 . . . . . 47 TYR QD . 27313 1 240 . 1 1 26 26 TYR HD2 H 1 6.973 0.001 . 3 . . . . . 47 TYR QD . 27313 1 241 . 1 1 26 26 TYR HE1 H 1 6.837 0.000 . 3 . . . . . 47 TYR QE . 27313 1 242 . 1 1 26 26 TYR HE2 H 1 6.837 0.000 . 3 . . . . . 47 TYR QE . 27313 1 243 . 1 1 26 26 TYR CA C 13 60.396 0.019 . 1 . . . . . 47 TYR CA . 27313 1 244 . 1 1 26 26 TYR CB C 13 36.683 0.008 . 1 . . . . . 47 TYR CB . 27313 1 245 . 1 1 26 26 TYR CD1 C 13 130.855 0.016 . 1 . . . . . 47 TYR CD1 . 27313 1 246 . 1 1 26 26 TYR CE1 C 13 118.761 0.000 . 1 . . . . . 47 TYR CE1 . 27313 1 247 . 1 1 26 26 TYR N N 15 120.642 0.012 . 1 . . . . . 47 TYR N . 27313 1 248 . 1 1 27 27 ALA H H 1 8.545 0.001 . 1 . . . . . 48 ALA H . 27313 1 249 . 1 1 27 27 ALA HA H 1 4.230 0.001 . 1 . . . . . 48 ALA HA . 27313 1 250 . 1 1 27 27 ALA HB1 H 1 1.474 0.001 . 1 . . . . . 48 ALA HB . 27313 1 251 . 1 1 27 27 ALA HB2 H 1 1.474 0.001 . 1 . . . . . 48 ALA HB . 27313 1 252 . 1 1 27 27 ALA HB3 H 1 1.474 0.001 . 1 . . . . . 48 ALA HB . 27313 1 253 . 1 1 27 27 ALA CA C 13 55.786 0.032 . 1 . . . . . 48 ALA CA . 27313 1 254 . 1 1 27 27 ALA CB C 13 17.854 0.011 . 1 . . . . . 48 ALA CB . 27313 1 255 . 1 1 27 27 ALA N N 15 122.305 0.020 . 1 . . . . . 48 ALA N . 27313 1 256 . 1 1 28 28 THR H H 1 7.659 0.002 . 1 . . . . . 49 THR H . 27313 1 257 . 1 1 28 28 THR HA H 1 4.023 0.002 . 1 . . . . . 49 THR HA . 27313 1 258 . 1 1 28 28 THR HB H 1 4.293 0.001 . 1 . . . . . 49 THR HB . 27313 1 259 . 1 1 28 28 THR HG21 H 1 1.260 0.000 . 1 . . . . . 49 THR QG2 . 27313 1 260 . 1 1 28 28 THR HG22 H 1 1.260 0.000 . 1 . . . . . 49 THR QG2 . 27313 1 261 . 1 1 28 28 THR HG23 H 1 1.260 0.000 . 1 . . . . . 49 THR QG2 . 27313 1 262 . 1 1 28 28 THR CA C 13 65.448 0.013 . 1 . . . . . 49 THR CA . 27313 1 263 . 1 1 28 28 THR CB C 13 68.635 0.006 . 1 . . . . . 49 THR CB . 27313 1 264 . 1 1 28 28 THR CG2 C 13 22.068 0.116 . 1 . . . . . 49 THR CG2 . 27313 1 265 . 1 1 28 28 THR N N 15 114.552 0.017 . 1 . . . . . 49 THR N . 27313 1 266 . 1 1 29 29 LEU H H 1 7.202 0.002 . 1 . . . . . 50 LEU H . 27313 1 267 . 1 1 29 29 LEU HA H 1 4.127 0.003 . 1 . . . . . 50 LEU HA . 27313 1 268 . 1 1 29 29 LEU HB2 H 1 1.940 0.010 . 2 . . . . . 50 LEU HB2 . 27313 1 269 . 1 1 29 29 LEU HB3 H 1 1.596 0.010 . 2 . . . . . 50 LEU HB3 . 27313 1 270 . 1 1 29 29 LEU HG H 1 1.694 0.004 . 1 . . . . . 50 LEU HG . 27313 1 271 . 1 1 29 29 LEU HD11 H 1 0.772 0.005 . 2 . . . . . 50 LEU QD1 . 27313 1 272 . 1 1 29 29 LEU HD12 H 1 0.772 0.005 . 2 . . . . . 50 LEU QD1 . 27313 1 273 . 1 1 29 29 LEU HD13 H 1 0.772 0.005 . 2 . . . . . 50 LEU QD1 . 27313 1 274 . 1 1 29 29 LEU HD21 H 1 0.737 0.000 . 2 . . . . . 50 LEU QD2 . 27313 1 275 . 1 1 29 29 LEU HD22 H 1 0.737 0.000 . 2 . . . . . 50 LEU QD2 . 27313 1 276 . 1 1 29 29 LEU HD23 H 1 0.737 0.000 . 2 . . . . . 50 LEU QD2 . 27313 1 277 . 1 1 29 29 LEU CA C 13 57.383 0.053 . 1 . . . . . 50 LEU CA . 27313 1 278 . 1 1 29 29 LEU CB C 13 42.336 0.031 . 1 . . . . . 50 LEU CB . 27313 1 279 . 1 1 29 29 LEU CG C 13 27.718 0.063 . 1 . . . . . 50 LEU CG . 27313 1 280 . 1 1 29 29 LEU CD1 C 13 26.115 0.088 . 1 . . . . . 50 LEU CD1 . 27313 1 281 . 1 1 29 29 LEU CD2 C 13 23.607 0.011 . 1 . . . . . 50 LEU CD2 . 27313 1 282 . 1 1 29 29 LEU N N 15 122.661 0.023 . 1 . . . . . 50 LEU N . 27313 1 283 . 1 1 30 30 ALA H H 1 8.771 0.001 . 1 . . . . . 51 ALA H . 27313 1 284 . 1 1 30 30 ALA HA H 1 4.165 0.000 . 1 . . . . . 51 ALA HA . 27313 1 285 . 1 1 30 30 ALA HB1 H 1 1.501 0.004 . 1 . . . . . 51 ALA HB . 27313 1 286 . 1 1 30 30 ALA HB2 H 1 1.501 0.004 . 1 . . . . . 51 ALA HB . 27313 1 287 . 1 1 30 30 ALA HB3 H 1 1.501 0.004 . 1 . . . . . 51 ALA HB . 27313 1 288 . 1 1 30 30 ALA CA C 13 56.048 0.009 . 1 . . . . . 51 ALA CA . 27313 1 289 . 1 1 30 30 ALA CB C 13 18.085 0.023 . 1 . . . . . 51 ALA CB . 27313 1 290 . 1 1 30 30 ALA N N 15 121.469 0.008 . 1 . . . . . 51 ALA N . 27313 1 291 . 1 1 31 31 ALA H H 1 7.410 0.004 . 1 . . . . . 52 ALA H . 27313 1 292 . 1 1 31 31 ALA HA H 1 4.112 0.002 . 1 . . . . . 52 ALA HA . 27313 1 293 . 1 1 31 31 ALA HB1 H 1 1.516 0.004 . 1 . . . . . 52 ALA HB . 27313 1 294 . 1 1 31 31 ALA HB2 H 1 1.516 0.004 . 1 . . . . . 52 ALA HB . 27313 1 295 . 1 1 31 31 ALA HB3 H 1 1.516 0.004 . 1 . . . . . 52 ALA HB . 27313 1 296 . 1 1 31 31 ALA CA C 13 54.729 0.000 . 1 . . . . . 52 ALA CA . 27313 1 297 . 1 1 31 31 ALA CB C 13 17.883 0.000 . 1 . . . . . 52 ALA CB . 27313 1 298 . 1 1 31 31 ALA N N 15 119.113 0.012 . 1 . . . . . 52 ALA N . 27313 1 299 . 1 1 32 32 ASP H H 1 7.718 0.003 . 1 . . . . . 53 ASP H . 27313 1 300 . 1 1 32 32 ASP HA H 1 4.338 0.002 . 1 . . . . . 53 ASP HA . 27313 1 301 . 1 1 32 32 ASP HB2 H 1 2.077 0.004 . 2 . . . . . 53 ASP HB2 . 27313 1 302 . 1 1 32 32 ASP HB3 H 1 2.678 0.000 . 2 . . . . . 53 ASP HB3 . 27313 1 303 . 1 1 32 32 ASP CA C 13 57.523 0.030 . 1 . . . . . 53 ASP CA . 27313 1 304 . 1 1 32 32 ASP CB C 13 40.412 0.021 . 1 . . . . . 53 ASP CB . 27313 1 305 . 1 1 32 32 ASP N N 15 120.549 0.027 . 1 . . . . . 53 ASP N . 27313 1 306 . 1 1 33 33 PHE H H 1 8.703 0.007 . 1 . . . . . 54 PHE H . 27313 1 307 . 1 1 33 33 PHE HA H 1 4.257 0.002 . 1 . . . . . 54 PHE HA . 27313 1 308 . 1 1 33 33 PHE HB2 H 1 2.846 0.007 . 2 . . . . . 54 PHE HB2 . 27313 1 309 . 1 1 33 33 PHE HB3 H 1 3.505 0.005 . 2 . . . . . 54 PHE HB3 . 27313 1 310 . 1 1 33 33 PHE HD1 H 1 7.120 0.007 . 3 . . . . . 54 PHE QD . 27313 1 311 . 1 1 33 33 PHE HD2 H 1 7.120 0.007 . 3 . . . . . 54 PHE QD . 27313 1 312 . 1 1 33 33 PHE HE1 H 1 6.946 0.004 . 3 . . . . . 54 PHE QE . 27313 1 313 . 1 1 33 33 PHE HE2 H 1 6.946 0.004 . 3 . . . . . 54 PHE QE . 27313 1 314 . 1 1 33 33 PHE HZ H 1 6.399 0.002 . 1 . . . . . 54 PHE HZ . 27313 1 315 . 1 1 33 33 PHE CA C 13 62.817 0.026 . 1 . . . . . 54 PHE CA . 27313 1 316 . 1 1 33 33 PHE CB C 13 39.258 0.049 . 1 . . . . . 54 PHE CB . 27313 1 317 . 1 1 33 33 PHE CD1 C 13 132.141 0.074 . 1 . . . . . 54 PHE CD1 . 27313 1 318 . 1 1 33 33 PHE CE1 C 13 131.034 0.091 . 1 . . . . . 54 PHE CE1 . 27313 1 319 . 1 1 33 33 PHE CZ C 13 129.569 0.000 . 1 . . . . . 54 PHE CZ . 27313 1 320 . 1 1 33 33 PHE N N 15 119.214 0.019 . 1 . . . . . 54 PHE N . 27313 1 321 . 1 1 34 34 SER H H 1 8.316 0.004 . 1 . . . . . 55 SER H . 27313 1 322 . 1 1 34 34 SER HA H 1 4.118 0.002 . 1 . . . . . 55 SER HA . 27313 1 323 . 1 1 34 34 SER HB2 H 1 4.029 0.003 . 2 . . . . . 55 SER QB . 27313 1 324 . 1 1 34 34 SER HB3 H 1 4.029 0.003 . 2 . . . . . 55 SER QB . 27313 1 325 . 1 1 34 34 SER CA C 13 61.642 0.098 . 1 . . . . . 55 SER CA . 27313 1 326 . 1 1 34 34 SER CB C 13 62.812 0.091 . 1 . . . . . 55 SER CB . 27313 1 327 . 1 1 34 34 SER N N 15 115.300 0.007 . 1 . . . . . 55 SER N . 27313 1 328 . 1 1 35 35 ARG H H 1 7.645 0.002 . 1 . . . . . 56 ARG H . 27313 1 329 . 1 1 35 35 ARG HA H 1 4.134 0.004 . 1 . . . . . 56 ARG HA . 27313 1 330 . 1 1 35 35 ARG HB2 H 1 2.003 0.004 . 2 . . . . . 56 ARG HB2 . 27313 1 331 . 1 1 35 35 ARG HB3 H 1 1.938 0.006 . 2 . . . . . 56 ARG HB3 . 27313 1 332 . 1 1 35 35 ARG HG2 H 1 1.813 0.002 . 2 . . . . . 56 ARG HG2 . 27313 1 333 . 1 1 35 35 ARG HG3 H 1 1.611 0.011 . 2 . . . . . 56 ARG HG3 . 27313 1 334 . 1 1 35 35 ARG HD2 H 1 3.208 0.002 . 2 . . . . . 56 ARG QD . 27313 1 335 . 1 1 35 35 ARG HD3 H 1 3.208 0.002 . 2 . . . . . 56 ARG QD . 27313 1 336 . 1 1 35 35 ARG CA C 13 59.165 0.017 . 1 . . . . . 56 ARG CA . 27313 1 337 . 1 1 35 35 ARG CB C 13 30.349 0.046 . 1 . . . . . 56 ARG CB . 27313 1 338 . 1 1 35 35 ARG CG C 13 28.031 0.084 . 1 . . . . . 56 ARG CG . 27313 1 339 . 1 1 35 35 ARG CD C 13 43.309 0.017 . 1 . . . . . 56 ARG CD . 27313 1 340 . 1 1 35 35 ARG N N 15 121.500 0.009 . 1 . . . . . 56 ARG N . 27313 1 341 . 1 1 36 36 ILE H H 1 7.910 0.003 . 1 . . . . . 57 ILE H . 27313 1 342 . 1 1 36 36 ILE HA H 1 3.951 0.001 . 1 . . . . . 57 ILE HA . 27313 1 343 . 1 1 36 36 ILE HB H 1 2.031 0.001 . 1 . . . . . 57 ILE HB . 27313 1 344 . 1 1 36 36 ILE HG12 H 1 1.750 0.002 . 2 . . . . . 57 ILE HG12 . 27313 1 345 . 1 1 36 36 ILE HG13 H 1 1.061 0.005 . 2 . . . . . 57 ILE HG13 . 27313 1 346 . 1 1 36 36 ILE HG21 H 1 1.093 0.002 . 1 . . . . . 57 ILE QG2 . 27313 1 347 . 1 1 36 36 ILE HG22 H 1 1.093 0.002 . 1 . . . . . 57 ILE QG2 . 27313 1 348 . 1 1 36 36 ILE HG23 H 1 1.093 0.002 . 1 . . . . . 57 ILE QG2 . 27313 1 349 . 1 1 36 36 ILE HD11 H 1 0.581 0.000 . 1 . . . . . 57 ILE QD1 . 27313 1 350 . 1 1 36 36 ILE HD12 H 1 0.581 0.000 . 1 . . . . . 57 ILE QD1 . 27313 1 351 . 1 1 36 36 ILE HD13 H 1 0.581 0.000 . 1 . . . . . 57 ILE QD1 . 27313 1 352 . 1 1 36 36 ILE CA C 13 63.980 0.042 . 1 . . . . . 57 ILE CA . 27313 1 353 . 1 1 36 36 ILE CB C 13 38.511 0.021 . 1 . . . . . 57 ILE CB . 27313 1 354 . 1 1 36 36 ILE CG1 C 13 29.180 0.019 . 1 . . . . . 57 ILE CG1 . 27313 1 355 . 1 1 36 36 ILE CG2 C 13 19.187 0.040 . 1 . . . . . 57 ILE CG2 . 27313 1 356 . 1 1 36 36 ILE CD1 C 13 14.510 0.034 . 1 . . . . . 57 ILE CD1 . 27313 1 357 . 1 1 36 36 ILE N N 15 120.697 0.020 . 1 . . . . . 57 ILE N . 27313 1 358 . 1 1 37 37 ALA H H 1 8.120 0.003 . 1 . . . . . 58 ALA H . 27313 1 359 . 1 1 37 37 ALA HA H 1 4.138 0.000 . 1 . . . . . 58 ALA HA . 27313 1 360 . 1 1 37 37 ALA HB1 H 1 1.420 0.004 . 1 . . . . . 58 ALA HB . 27313 1 361 . 1 1 37 37 ALA HB2 H 1 1.420 0.004 . 1 . . . . . 58 ALA HB . 27313 1 362 . 1 1 37 37 ALA HB3 H 1 1.420 0.004 . 1 . . . . . 58 ALA HB . 27313 1 363 . 1 1 37 37 ALA CA C 13 54.079 0.036 . 1 . . . . . 58 ALA CA . 27313 1 364 . 1 1 37 37 ALA CB C 13 17.901 0.004 . 1 . . . . . 58 ALA CB . 27313 1 365 . 1 1 37 37 ALA N N 15 120.748 0.012 . 1 . . . . . 58 ALA N . 27313 1 366 . 1 1 38 38 ALA H H 1 7.396 0.003 . 1 . . . . . 59 ALA H . 27313 1 367 . 1 1 38 38 ALA HA H 1 4.391 0.000 . 1 . . . . . 59 ALA HA . 27313 1 368 . 1 1 38 38 ALA HB1 H 1 1.471 0.001 . 1 . . . . . 59 ALA HB . 27313 1 369 . 1 1 38 38 ALA HB2 H 1 1.471 0.001 . 1 . . . . . 59 ALA HB . 27313 1 370 . 1 1 38 38 ALA HB3 H 1 1.471 0.001 . 1 . . . . . 59 ALA HB . 27313 1 371 . 1 1 38 38 ALA CA C 13 52.088 0.005 . 1 . . . . . 59 ALA CA . 27313 1 372 . 1 1 38 38 ALA CB C 13 19.456 0.008 . 1 . . . . . 59 ALA CB . 27313 1 373 . 1 1 38 38 ALA N N 15 117.880 0.005 . 1 . . . . . 59 ALA N . 27313 1 374 . 1 1 39 39 VAL H H 1 7.425 0.003 . 1 . . . . . 60 VAL H . 27313 1 375 . 1 1 39 39 VAL HA H 1 4.151 0.004 . 1 . . . . . 60 VAL HA . 27313 1 376 . 1 1 39 39 VAL HB H 1 2.343 0.001 . 1 . . . . . 60 VAL HB . 27313 1 377 . 1 1 39 39 VAL HG11 H 1 1.090 0.000 . 2 . . . . . 60 VAL QG1 . 27313 1 378 . 1 1 39 39 VAL HG12 H 1 1.090 0.000 . 2 . . . . . 60 VAL QG1 . 27313 1 379 . 1 1 39 39 VAL HG13 H 1 1.090 0.000 . 2 . . . . . 60 VAL QG1 . 27313 1 380 . 1 1 39 39 VAL HG21 H 1 1.124 0.000 . 2 . . . . . 60 VAL QG2 . 27313 1 381 . 1 1 39 39 VAL HG22 H 1 1.124 0.000 . 2 . . . . . 60 VAL QG2 . 27313 1 382 . 1 1 39 39 VAL HG23 H 1 1.124 0.000 . 2 . . . . . 60 VAL QG2 . 27313 1 383 . 1 1 39 39 VAL CA C 13 61.892 0.009 . 1 . . . . . 60 VAL CA . 27313 1 384 . 1 1 39 39 VAL CB C 13 33.182 0.052 . 1 . . . . . 60 VAL CB . 27313 1 385 . 1 1 39 39 VAL CG1 C 13 21.495 0.018 . 1 . . . . . 60 VAL CG1 . 27313 1 386 . 1 1 39 39 VAL CG2 C 13 20.944 0.019 . 1 . . . . . 60 VAL CG2 . 27313 1 387 . 1 1 39 39 VAL N N 15 118.031 0.007 . 1 . . . . . 60 VAL N . 27313 1 388 . 1 1 40 40 GLU H H 1 8.510 0.002 . 1 . . . . . 61 GLU H . 27313 1 389 . 1 1 40 40 GLU HA H 1 4.084 0.000 . 1 . . . . . 61 GLU HA . 27313 1 390 . 1 1 40 40 GLU HB2 H 1 2.015 0.000 . 2 . . . . . 61 GLU HB2 . 27313 1 391 . 1 1 40 40 GLU HB3 H 1 1.984 0.000 . 2 . . . . . 61 GLU HB3 . 27313 1 392 . 1 1 40 40 GLU HG2 H 1 2.295 0.000 . 2 . . . . . 61 GLU QG . 27313 1 393 . 1 1 40 40 GLU HG3 H 1 2.295 0.000 . 2 . . . . . 61 GLU QG . 27313 1 394 . 1 1 40 40 GLU CA C 13 58.135 0.042 . 1 . . . . . 61 GLU CA . 27313 1 395 . 1 1 40 40 GLU CB C 13 29.625 0.066 . 1 . . . . . 61 GLU CB . 27313 1 396 . 1 1 40 40 GLU CG C 13 36.237 0.021 . 1 . . . . . 61 GLU CG . 27313 1 397 . 1 1 40 40 GLU N N 15 125.933 0.012 . 1 . . . . . 61 GLU N . 27313 1 398 . 1 1 41 41 GLY H H 1 8.709 0.006 . 1 . . . . . 62 GLY H . 27313 1 399 . 1 1 41 41 GLY HA2 H 1 3.673 0.002 . 2 . . . . . 62 GLY HA2 . 27313 1 400 . 1 1 41 41 GLY HA3 H 1 4.163 0.001 . 2 . . . . . 62 GLY HA3 . 27313 1 401 . 1 1 41 41 GLY CA C 13 44.951 0.032 . 1 . . . . . 62 GLY CA . 27313 1 402 . 1 1 41 41 GLY N N 15 113.013 0.017 . 1 . . . . . 62 GLY N . 27313 1 403 . 1 1 42 42 SER H H 1 7.464 0.002 . 1 . . . . . 63 SER H . 27313 1 404 . 1 1 42 42 SER HA H 1 2.532 0.014 . 1 . . . . . 63 SER HA . 27313 1 405 . 1 1 42 42 SER HB2 H 1 3.763 0.003 . 2 . . . . . 63 SER HB2 . 27313 1 406 . 1 1 42 42 SER HB3 H 1 3.894 0.005 . 2 . . . . . 63 SER HB3 . 27313 1 407 . 1 1 42 42 SER CA C 13 57.205 0.017 . 1 . . . . . 63 SER CA . 27313 1 408 . 1 1 42 42 SER CB C 13 64.707 0.014 . 1 . . . . . 63 SER CB . 27313 1 409 . 1 1 42 42 SER N N 15 114.478 0.017 . 1 . . . . . 63 SER N . 27313 1 410 . 1 1 43 43 ASP H H 1 6.880 0.001 . 1 . . . . . 64 ASP H . 27313 1 411 . 1 1 43 43 ASP HA H 1 4.959 0.002 . 1 . . . . . 64 ASP HA . 27313 1 412 . 1 1 43 43 ASP HB2 H 1 3.312 0.000 . 2 . . . . . 64 ASP HB2 . 27313 1 413 . 1 1 43 43 ASP HB3 H 1 2.829 0.000 . 2 . . . . . 64 ASP HB3 . 27313 1 414 . 1 1 43 43 ASP CA C 13 52.460 0.017 . 1 . . . . . 64 ASP CA . 27313 1 415 . 1 1 43 43 ASP CB C 13 43.713 0.006 . 1 . . . . . 64 ASP CB . 27313 1 416 . 1 1 43 43 ASP N N 15 117.079 0.005 . 1 . . . . . 64 ASP N . 27313 1 417 . 1 1 44 44 TRP H H 1 8.407 0.004 . 1 . . . . . 65 TRP H . 27313 1 418 . 1 1 44 44 TRP HA H 1 4.358 0.000 . 1 . . . . . 65 TRP HA . 27313 1 419 . 1 1 44 44 TRP HB2 H 1 3.535 0.000 . 2 . . . . . 65 TRP HB2 . 27313 1 420 . 1 1 44 44 TRP HB3 H 1 3.100 0.004 . 2 . . . . . 65 TRP HB3 . 27313 1 421 . 1 1 44 44 TRP HD1 H 1 7.667 0.002 . 1 . . . . . 65 TRP HD1 . 27313 1 422 . 1 1 44 44 TRP HE1 H 1 10.922 0.008 . 1 . . . . . 65 TRP HE1 . 27313 1 423 . 1 1 44 44 TRP HE3 H 1 7.348 0.003 . 1 . . . . . 65 TRP HE3 . 27313 1 424 . 1 1 44 44 TRP HZ2 H 1 7.768 0.007 . 1 . . . . . 65 TRP HZ2 . 27313 1 425 . 1 1 44 44 TRP HZ3 H 1 6.565 0.004 . 1 . . . . . 65 TRP HZ3 . 27313 1 426 . 1 1 44 44 TRP HH2 H 1 6.705 0.002 . 1 . . . . . 65 TRP HH2 . 27313 1 427 . 1 1 44 44 TRP CA C 13 58.322 0.018 . 1 . . . . . 65 TRP CA . 27313 1 428 . 1 1 44 44 TRP CB C 13 29.559 0.016 . 1 . . . . . 65 TRP CB . 27313 1 429 . 1 1 44 44 TRP CD1 C 13 129.052 0.058 . 1 . . . . . 65 TRP CD1 . 27313 1 430 . 1 1 44 44 TRP CE3 C 13 120.222 0.069 . 1 . . . . . 65 TRP CE3 . 27313 1 431 . 1 1 44 44 TRP CZ2 C 13 116.362 0.000 . 1 . . . . . 65 TRP CZ2 . 27313 1 432 . 1 1 44 44 TRP CZ3 C 13 121.107 0.008 . 1 . . . . . 65 TRP CZ3 . 27313 1 433 . 1 1 44 44 TRP CH2 C 13 123.935 0.073 . 1 . . . . . 65 TRP CH2 . 27313 1 434 . 1 1 44 44 TRP N N 15 115.907 0.014 . 1 . . . . . 65 TRP N . 27313 1 435 . 1 1 44 44 TRP NE1 N 15 134.023 0.023 . 1 . . . . . 65 TRP NE1 . 27313 1 436 . 1 1 45 45 MET H H 1 7.878 0.004 . 1 . . . . . 66 MET H . 27313 1 437 . 1 1 45 45 MET HA H 1 3.368 0.007 . 1 . . . . . 66 MET HA . 27313 1 438 . 1 1 45 45 MET HB2 H 1 0.691 0.006 . 2 . . . . . 66 MET HB2 . 27313 1 439 . 1 1 45 45 MET HB3 H 1 0.520 0.004 . 2 . . . . . 66 MET HB3 . 27313 1 440 . 1 1 45 45 MET HG2 H 1 1.483 0.000 . 2 . . . . . 66 MET QG . 27313 1 441 . 1 1 45 45 MET HG3 H 1 1.483 0.000 . 2 . . . . . 66 MET QG . 27313 1 442 . 1 1 45 45 MET HE1 H 1 1.906 0.002 . 1 . . . . . 66 MET HE . 27313 1 443 . 1 1 45 45 MET HE2 H 1 1.906 0.002 . 1 . . . . . 66 MET HE . 27313 1 444 . 1 1 45 45 MET HE3 H 1 1.906 0.002 . 1 . . . . . 66 MET HE . 27313 1 445 . 1 1 45 45 MET CA C 13 59.713 0.034 . 1 . . . . . 66 MET CA . 27313 1 446 . 1 1 45 45 MET CB C 13 32.853 0.037 . 1 . . . . . 66 MET CB . 27313 1 447 . 1 1 45 45 MET CG C 13 32.257 0.052 . 1 . . . . . 66 MET CG . 27313 1 448 . 1 1 45 45 MET CE C 13 18.969 0.035 . 1 . . . . . 66 MET CE . 27313 1 449 . 1 1 45 45 MET N N 15 120.048 0.008 . 1 . . . . . 66 MET N . 27313 1 450 . 1 1 46 46 ALA H H 1 7.524 0.002 . 1 . . . . . 67 ALA H . 27313 1 451 . 1 1 46 46 ALA HA H 1 4.193 0.000 . 1 . . . . . 67 ALA HA . 27313 1 452 . 1 1 46 46 ALA HB1 H 1 1.961 0.004 . 1 . . . . . 67 ALA HB . 27313 1 453 . 1 1 46 46 ALA HB2 H 1 1.961 0.004 . 1 . . . . . 67 ALA HB . 27313 1 454 . 1 1 46 46 ALA HB3 H 1 1.961 0.004 . 1 . . . . . 67 ALA HB . 27313 1 455 . 1 1 46 46 ALA CA C 13 57.147 0.013 . 1 . . . . . 67 ALA CA . 27313 1 456 . 1 1 46 46 ALA CB C 13 17.173 0.016 . 1 . . . . . 67 ALA CB . 27313 1 457 . 1 1 46 46 ALA N N 15 123.233 0.018 . 1 . . . . . 67 ALA N . 27313 1 458 . 1 1 47 47 ALA H H 1 8.015 0.003 . 1 . . . . . 68 ALA H . 27313 1 459 . 1 1 47 47 ALA HA H 1 4.153 0.000 . 1 . . . . . 68 ALA HA . 27313 1 460 . 1 1 47 47 ALA HB1 H 1 1.684 0.006 . 1 . . . . . 68 ALA HB . 27313 1 461 . 1 1 47 47 ALA HB2 H 1 1.684 0.006 . 1 . . . . . 68 ALA HB . 27313 1 462 . 1 1 47 47 ALA HB3 H 1 1.684 0.006 . 1 . . . . . 68 ALA HB . 27313 1 463 . 1 1 47 47 ALA CA C 13 55.575 0.020 . 1 . . . . . 68 ALA CA . 27313 1 464 . 1 1 47 47 ALA CB C 13 17.799 0.050 . 1 . . . . . 68 ALA CB . 27313 1 465 . 1 1 47 47 ALA N N 15 123.311 0.003 . 1 . . . . . 68 ALA N . 27313 1 466 . 1 1 48 48 TYR H H 1 7.942 0.004 . 1 . . . . . 69 TYR H . 27313 1 467 . 1 1 48 48 TYR HA H 1 3.733 0.004 . 1 . . . . . 69 TYR HA . 27313 1 468 . 1 1 48 48 TYR HB2 H 1 3.205 0.006 . 2 . . . . . 69 TYR HB2 . 27313 1 469 . 1 1 48 48 TYR HB3 H 1 2.925 0.000 . 2 . . . . . 69 TYR HB3 . 27313 1 470 . 1 1 48 48 TYR HD1 H 1 5.399 0.011 . 3 . . . . . 69 TYR QD . 27313 1 471 . 1 1 48 48 TYR HD2 H 1 5.399 0.011 . 3 . . . . . 69 TYR QD . 27313 1 472 . 1 1 48 48 TYR HE1 H 1 5.916 0.008 . 3 . . . . . 69 TYR QE . 27313 1 473 . 1 1 48 48 TYR HE2 H 1 5.916 0.008 . 3 . . . . . 69 TYR QE . 27313 1 474 . 1 1 48 48 TYR HH H 1 11.753 0.000 . 1 . . . . . 69 TYR HH . 27313 1 475 . 1 1 48 48 TYR CA C 13 62.660 0.017 . 1 . . . . . 69 TYR CA . 27313 1 476 . 1 1 48 48 TYR CB C 13 39.142 0.051 . 1 . . . . . 69 TYR CB . 27313 1 477 . 1 1 48 48 TYR CD1 C 13 133.771 0.000 . 1 . . . . . 69 TYR CD1 . 27313 1 478 . 1 1 48 48 TYR CE1 C 13 118.944 0.006 . 1 . . . . . 69 TYR CE1 . 27313 1 479 . 1 1 48 48 TYR N N 15 117.954 0.013 . 1 . . . . . 69 TYR N . 27313 1 480 . 1 1 49 49 TYR H H 1 8.536 0.004 . 1 . . . . . 70 TYR H . 27313 1 481 . 1 1 49 49 TYR HA H 1 3.913 0.005 . 1 . . . . . 70 TYR HA . 27313 1 482 . 1 1 49 49 TYR HB2 H 1 1.577 0.001 . 2 . . . . . 70 TYR HB2 . 27313 1 483 . 1 1 49 49 TYR HB3 H 1 1.344 0.000 . 2 . . . . . 70 TYR HB3 . 27313 1 484 . 1 1 49 49 TYR HD1 H 1 6.808 0.000 . 3 . . . . . 70 TYR QD . 27313 1 485 . 1 1 49 49 TYR HD2 H 1 6.808 0.000 . 3 . . . . . 70 TYR QD . 27313 1 486 . 1 1 49 49 TYR HE1 H 1 6.816 0.006 . 3 . . . . . 70 TYR QE . 27313 1 487 . 1 1 49 49 TYR HE2 H 1 6.816 0.006 . 3 . . . . . 70 TYR QE . 27313 1 488 . 1 1 49 49 TYR CA C 13 63.369 0.067 . 1 . . . . . 70 TYR CA . 27313 1 489 . 1 1 49 49 TYR CB C 13 34.987 0.016 . 1 . . . . . 70 TYR CB . 27313 1 490 . 1 1 49 49 TYR CE1 C 13 117.143 0.000 . 1 . . . . . 70 TYR CE1 . 27313 1 491 . 1 1 49 49 TYR N N 15 117.571 0.010 . 1 . . . . . 70 TYR N . 27313 1 492 . 1 1 50 50 THR H H 1 7.895 0.005 . 1 . . . . . 71 THR H . 27313 1 493 . 1 1 50 50 THR HA H 1 3.779 0.005 . 1 . . . . . 71 THR HA . 27313 1 494 . 1 1 50 50 THR HB H 1 4.317 0.002 . 1 . . . . . 71 THR HB . 27313 1 495 . 1 1 50 50 THR HG21 H 1 1.265 0.000 . 1 . . . . . 71 THR QG2 . 27313 1 496 . 1 1 50 50 THR HG22 H 1 1.265 0.000 . 1 . . . . . 71 THR QG2 . 27313 1 497 . 1 1 50 50 THR HG23 H 1 1.265 0.000 . 1 . . . . . 71 THR QG2 . 27313 1 498 . 1 1 50 50 THR CA C 13 69.184 0.034 . 1 . . . . . 71 THR CA . 27313 1 499 . 1 1 50 50 THR CB C 13 67.968 0.053 . 1 . . . . . 71 THR CB . 27313 1 500 . 1 1 50 50 THR CG2 C 13 21.996 0.130 . 1 . . . . . 71 THR CG2 . 27313 1 501 . 1 1 50 50 THR N N 15 118.644 0.018 . 1 . . . . . 71 THR N . 27313 1 502 . 1 1 51 51 ALA H H 1 7.404 0.004 . 1 . . . . . 72 ALA H . 27313 1 503 . 1 1 51 51 ALA HA H 1 3.769 0.005 . 1 . . . . . 72 ALA HA . 27313 1 504 . 1 1 51 51 ALA HB1 H 1 1.431 0.003 . 1 . . . . . 72 ALA HB . 27313 1 505 . 1 1 51 51 ALA HB2 H 1 1.431 0.003 . 1 . . . . . 72 ALA HB . 27313 1 506 . 1 1 51 51 ALA HB3 H 1 1.431 0.003 . 1 . . . . . 72 ALA HB . 27313 1 507 . 1 1 51 51 ALA CA C 13 55.587 0.010 . 1 . . . . . 72 ALA CA . 27313 1 508 . 1 1 51 51 ALA CB C 13 18.724 0.118 . 1 . . . . . 72 ALA CB . 27313 1 509 . 1 1 51 51 ALA N N 15 120.322 0.014 . 1 . . . . . 72 ALA N . 27313 1 510 . 1 1 52 52 TYR H H 1 8.449 0.003 . 1 . . . . . 73 TYR H . 27313 1 511 . 1 1 52 52 TYR HA H 1 3.544 0.006 . 1 . . . . . 73 TYR HA . 27313 1 512 . 1 1 52 52 TYR HB2 H 1 2.502 0.007 . 2 . . . . . 73 TYR HB2 . 27313 1 513 . 1 1 52 52 TYR HB3 H 1 3.143 0.000 . 2 . . . . . 73 TYR HB3 . 27313 1 514 . 1 1 52 52 TYR HD1 H 1 6.726 0.000 . 3 . . . . . 73 TYR QD . 27313 1 515 . 1 1 52 52 TYR HD2 H 1 6.726 0.000 . 3 . . . . . 73 TYR QD . 27313 1 516 . 1 1 52 52 TYR HE1 H 1 5.627 0.000 . 3 . . . . . 73 TYR QE . 27313 1 517 . 1 1 52 52 TYR HE2 H 1 5.627 0.000 . 3 . . . . . 73 TYR QE . 27313 1 518 . 1 1 52 52 TYR CA C 13 63.222 0.007 . 1 . . . . . 73 TYR CA . 27313 1 519 . 1 1 52 52 TYR CB C 13 39.518 0.031 . 1 . . . . . 73 TYR CB . 27313 1 520 . 1 1 52 52 TYR CD1 C 13 131.803 0.000 . 1 . . . . . 73 TYR CD1 . 27313 1 521 . 1 1 52 52 TYR CE1 C 13 117.791 0.000 . 1 . . . . . 73 TYR CE1 . 27313 1 522 . 1 1 52 52 TYR N N 15 120.414 0.021 . 1 . . . . . 73 TYR N . 27313 1 523 . 1 1 53 53 CYS H H 1 7.884 0.002 . 1 . . . . . 74 CYS H . 27313 1 524 . 1 1 53 53 CYS HA H 1 4.052 0.004 . 1 . . . . . 74 CYS HA . 27313 1 525 . 1 1 53 53 CYS HB2 H 1 3.006 0.006 . 2 . . . . . 74 CYS HB2 . 27313 1 526 . 1 1 53 53 CYS HB3 H 1 3.237 0.004 . 2 . . . . . 74 CYS HB3 . 27313 1 527 . 1 1 53 53 CYS CA C 13 63.337 0.033 . 1 . . . . . 74 CYS CA . 27313 1 528 . 1 1 53 53 CYS CB C 13 28.365 0.046 . 1 . . . . . 74 CYS CB . 27313 1 529 . 1 1 53 53 CYS N N 15 111.892 0.013 . 1 . . . . . 74 CYS N . 27313 1 530 . 1 1 54 54 ARG H H 1 7.340 0.002 . 1 . . . . . 75 ARG H . 27313 1 531 . 1 1 54 54 ARG HA H 1 4.345 0.006 . 1 . . . . . 75 ARG HA . 27313 1 532 . 1 1 54 54 ARG HB2 H 1 1.948 0.001 . 2 . . . . . 75 ARG HB2 . 27313 1 533 . 1 1 54 54 ARG HB3 H 1 1.868 0.005 . 2 . . . . . 75 ARG HB3 . 27313 1 534 . 1 1 54 54 ARG HG2 H 1 1.558 0.000 . 2 . . . . . 75 ARG HG2 . 27313 1 535 . 1 1 54 54 ARG HG3 H 1 1.802 0.000 . 2 . . . . . 75 ARG HG3 . 27313 1 536 . 1 1 54 54 ARG HD2 H 1 3.181 0.000 . 2 . . . . . 75 ARG HD2 . 27313 1 537 . 1 1 54 54 ARG HD3 H 1 2.888 0.001 . 2 . . . . . 75 ARG HD3 . 27313 1 538 . 1 1 54 54 ARG CA C 13 56.665 0.039 . 1 . . . . . 75 ARG CA . 27313 1 539 . 1 1 54 54 ARG CB C 13 31.729 0.110 . 1 . . . . . 75 ARG CB . 27313 1 540 . 1 1 54 54 ARG CG C 13 27.842 0.056 . 1 . . . . . 75 ARG CG . 27313 1 541 . 1 1 54 54 ARG CD C 13 43.142 0.060 . 1 . . . . . 75 ARG CD . 27313 1 542 . 1 1 54 54 ARG N N 15 117.391 0.022 . 1 . . . . . 75 ARG N . 27313 1 543 . 1 1 55 55 ILE H H 1 7.778 0.003 . 1 . . . . . 76 ILE H . 27313 1 544 . 1 1 55 55 ILE HA H 1 3.365 0.002 . 1 . . . . . 76 ILE HA . 27313 1 545 . 1 1 55 55 ILE HB H 1 1.343 0.003 . 1 . . . . . 76 ILE HB . 27313 1 546 . 1 1 55 55 ILE HG12 H 1 1.683 0.000 . 2 . . . . . 76 ILE HG12 . 27313 1 547 . 1 1 55 55 ILE HG13 H 1 0.605 0.000 . 2 . . . . . 76 ILE HG13 . 27313 1 548 . 1 1 55 55 ILE HG21 H 1 0.701 0.004 . 1 . . . . . 76 ILE QG2 . 27313 1 549 . 1 1 55 55 ILE HG22 H 1 0.701 0.004 . 1 . . . . . 76 ILE QG2 . 27313 1 550 . 1 1 55 55 ILE HG23 H 1 0.701 0.004 . 1 . . . . . 76 ILE QG2 . 27313 1 551 . 1 1 55 55 ILE HD11 H 1 0.771 0.000 . 1 . . . . . 76 ILE QD1 . 27313 1 552 . 1 1 55 55 ILE HD12 H 1 0.771 0.000 . 1 . . . . . 76 ILE QD1 . 27313 1 553 . 1 1 55 55 ILE HD13 H 1 0.771 0.000 . 1 . . . . . 76 ILE QD1 . 27313 1 554 . 1 1 55 55 ILE CA C 13 64.734 0.009 . 1 . . . . . 76 ILE CA . 27313 1 555 . 1 1 55 55 ILE CB C 13 39.429 0.034 . 1 . . . . . 76 ILE CB . 27313 1 556 . 1 1 55 55 ILE CG1 C 13 29.951 0.042 . 1 . . . . . 76 ILE CG1 . 27313 1 557 . 1 1 55 55 ILE CG2 C 13 18.304 0.028 . 1 . . . . . 76 ILE CG2 . 27313 1 558 . 1 1 55 55 ILE CD1 C 13 16.212 0.019 . 1 . . . . . 76 ILE CD1 . 27313 1 559 . 1 1 55 55 ILE N N 15 117.634 0.010 . 1 . . . . . 76 ILE N . 27313 1 560 . 1 1 56 56 ILE H H 1 7.405 0.003 . 1 . . . . . 77 ILE H . 27313 1 561 . 1 1 56 56 ILE HA H 1 3.884 0.008 . 1 . . . . . 77 ILE HA . 27313 1 562 . 1 1 56 56 ILE HB H 1 1.695 0.012 . 1 . . . . . 77 ILE HB . 27313 1 563 . 1 1 56 56 ILE HG12 H 1 0.571 0.001 . 2 . . . . . 77 ILE HG12 . 27313 1 564 . 1 1 56 56 ILE HG13 H 1 0.886 0.012 . 2 . . . . . 77 ILE HG13 . 27313 1 565 . 1 1 56 56 ILE HG21 H 1 0.585 0.002 . 1 . . . . . 77 ILE QG2 . 27313 1 566 . 1 1 56 56 ILE HG22 H 1 0.585 0.002 . 1 . . . . . 77 ILE QG2 . 27313 1 567 . 1 1 56 56 ILE HG23 H 1 0.585 0.002 . 1 . . . . . 77 ILE QG2 . 27313 1 568 . 1 1 56 56 ILE HD11 H 1 0.146 0.003 . 1 . . . . . 77 ILE QD1 . 27313 1 569 . 1 1 56 56 ILE HD12 H 1 0.146 0.003 . 1 . . . . . 77 ILE QD1 . 27313 1 570 . 1 1 56 56 ILE HD13 H 1 0.146 0.003 . 1 . . . . . 77 ILE QD1 . 27313 1 571 . 1 1 56 56 ILE CA C 13 64.711 0.035 . 1 . . . . . 77 ILE CA . 27313 1 572 . 1 1 56 56 ILE CB C 13 33.340 0.062 . 1 . . . . . 77 ILE CB . 27313 1 573 . 1 1 56 56 ILE CG1 C 13 27.520 0.019 . 1 . . . . . 77 ILE CG1 . 27313 1 574 . 1 1 56 56 ILE CG2 C 13 18.049 0.013 . 1 . . . . . 77 ILE CG2 . 27313 1 575 . 1 1 56 56 ILE CD1 C 13 9.065 0.018 . 1 . . . . . 77 ILE CD1 . 27313 1 576 . 1 1 56 56 ILE N N 15 116.846 0.002 . 1 . . . . . 77 ILE N . 27313 1 577 . 1 1 57 57 PRO HA H 1 4.301 0.001 . 1 . . . . . 78 PRO HA . 27313 1 578 . 1 1 57 57 PRO HB2 H 1 1.719 0.002 . 2 . . . . . 78 PRO HB2 . 27313 1 579 . 1 1 57 57 PRO HB3 H 1 2.238 0.003 . 2 . . . . . 78 PRO HB3 . 27313 1 580 . 1 1 57 57 PRO HG2 H 1 2.114 0.000 . 2 . . . . . 78 PRO HG2 . 27313 1 581 . 1 1 57 57 PRO HG3 H 1 1.898 0.001 . 2 . . . . . 78 PRO HG3 . 27313 1 582 . 1 1 57 57 PRO HD2 H 1 3.107 0.001 . 2 . . . . . 78 PRO HD2 . 27313 1 583 . 1 1 57 57 PRO HD3 H 1 3.350 0.001 . 2 . . . . . 78 PRO HD3 . 27313 1 584 . 1 1 57 57 PRO CA C 13 64.773 0.016 . 1 . . . . . 78 PRO CA . 27313 1 585 . 1 1 57 57 PRO CB C 13 30.800 0.031 . 1 . . . . . 78 PRO CB . 27313 1 586 . 1 1 57 57 PRO CG C 13 28.680 0.046 . 1 . . . . . 78 PRO CG . 27313 1 587 . 1 1 57 57 PRO CD C 13 50.682 0.031 . 1 . . . . . 78 PRO CD . 27313 1 588 . 1 1 58 58 ALA H H 1 7.345 0.004 . 1 . . . . . 79 ALA H . 27313 1 589 . 1 1 58 58 ALA HA H 1 3.703 0.000 . 1 . . . . . 79 ALA HA . 27313 1 590 . 1 1 58 58 ALA HB1 H 1 1.245 0.004 . 1 . . . . . 79 ALA HB . 27313 1 591 . 1 1 58 58 ALA HB2 H 1 1.245 0.004 . 1 . . . . . 79 ALA HB . 27313 1 592 . 1 1 58 58 ALA HB3 H 1 1.245 0.004 . 1 . . . . . 79 ALA HB . 27313 1 593 . 1 1 58 58 ALA CA C 13 54.564 0.010 . 1 . . . . . 79 ALA CA . 27313 1 594 . 1 1 58 58 ALA CB C 13 18.304 0.019 . 1 . . . . . 79 ALA CB . 27313 1 595 . 1 1 58 58 ALA N N 15 121.184 0.011 . 1 . . . . . 79 ALA N . 27313 1 596 . 1 1 59 59 PHE H H 1 7.242 0.005 . 1 . . . . . 80 PHE H . 27313 1 597 . 1 1 59 59 PHE HA H 1 3.974 0.003 . 1 . . . . . 80 PHE HA . 27313 1 598 . 1 1 59 59 PHE HB2 H 1 2.934 0.012 . 2 . . . . . 80 PHE HB2 . 27313 1 599 . 1 1 59 59 PHE HB3 H 1 2.979 0.000 . 2 . . . . . 80 PHE HB3 . 27313 1 600 . 1 1 59 59 PHE HD1 H 1 7.359 0.002 . 3 . . . . . 80 PHE QD . 27313 1 601 . 1 1 59 59 PHE HD2 H 1 7.359 0.002 . 3 . . . . . 80 PHE QD . 27313 1 602 . 1 1 59 59 PHE HE1 H 1 6.981 0.002 . 3 . . . . . 80 PHE QE . 27313 1 603 . 1 1 59 59 PHE HE2 H 1 6.981 0.002 . 3 . . . . . 80 PHE QE . 27313 1 604 . 1 1 59 59 PHE HZ H 1 7.287 0.012 . 1 . . . . . 80 PHE HZ . 27313 1 605 . 1 1 59 59 PHE CA C 13 61.357 0.064 . 1 . . . . . 80 PHE CA . 27313 1 606 . 1 1 59 59 PHE CB C 13 38.667 0.012 . 1 . . . . . 80 PHE CB . 27313 1 607 . 1 1 59 59 PHE CD1 C 13 132.156 0.001 . 1 . . . . . 80 PHE CD1 . 27313 1 608 . 1 1 59 59 PHE CE1 C 13 130.745 0.049 . 1 . . . . . 80 PHE CE1 . 27313 1 609 . 1 1 59 59 PHE CZ C 13 130.637 0.000 . 1 . . . . . 80 PHE CZ . 27313 1 610 . 1 1 59 59 PHE N N 15 115.346 0.004 . 1 . . . . . 80 PHE N . 27313 1 611 . 1 1 60 60 GLY H H 1 7.762 0.004 . 1 . . . . . 81 GLY H . 27313 1 612 . 1 1 60 60 GLY HA2 H 1 3.819 0.003 . 2 . . . . . 81 GLY HA2 . 27313 1 613 . 1 1 60 60 GLY HA3 H 1 4.142 0.000 . 2 . . . . . 81 GLY HA3 . 27313 1 614 . 1 1 60 60 GLY CA C 13 44.949 0.045 . 1 . . . . . 81 GLY CA . 27313 1 615 . 1 1 60 60 GLY N N 15 106.739 0.020 . 1 . . . . . 81 GLY N . 27313 1 616 . 1 1 61 61 ASN H H 1 6.974 0.003 . 1 . . . . . 82 ASN H . 27313 1 617 . 1 1 61 61 ASN HA H 1 5.152 0.003 . 1 . . . . . 82 ASN HA . 27313 1 618 . 1 1 61 61 ASN HB2 H 1 2.472 0.005 . 2 . . . . . 82 ASN HB2 . 27313 1 619 . 1 1 61 61 ASN HB3 H 1 2.798 0.002 . 2 . . . . . 82 ASN HB3 . 27313 1 620 . 1 1 61 61 ASN HD21 H 1 7.387 0.004 . 2 . . . . . 82 ASN HD21 . 27313 1 621 . 1 1 61 61 ASN HD22 H 1 6.907 0.005 . 2 . . . . . 82 ASN HD22 . 27313 1 622 . 1 1 61 61 ASN CA C 13 50.130 0.005 . 1 . . . . . 82 ASN CA . 27313 1 623 . 1 1 61 61 ASN CB C 13 38.599 0.025 . 1 . . . . . 82 ASN CB . 27313 1 624 . 1 1 61 61 ASN N N 15 115.958 0.008 . 1 . . . . . 82 ASN N . 27313 1 625 . 1 1 61 61 ASN ND2 N 15 111.359 0.019 . 1 . . . . . 82 ASN ND2 . 27313 1 626 . 1 1 62 62 PRO HA H 1 4.349 0.001 . 1 . . . . . 83 PRO HA . 27313 1 627 . 1 1 62 62 PRO HB2 H 1 2.072 0.000 . 2 . . . . . 83 PRO HB2 . 27313 1 628 . 1 1 62 62 PRO HB3 H 1 2.244 0.010 . 2 . . . . . 83 PRO HB3 . 27313 1 629 . 1 1 62 62 PRO HG2 H 1 2.069 0.002 . 2 . . . . . 83 PRO QG . 27313 1 630 . 1 1 62 62 PRO HG3 H 1 2.069 0.002 . 2 . . . . . 83 PRO QG . 27313 1 631 . 1 1 62 62 PRO HD2 H 1 3.832 0.003 . 2 . . . . . 83 PRO HD2 . 27313 1 632 . 1 1 62 62 PRO HD3 H 1 3.409 0.001 . 2 . . . . . 83 PRO HD3 . 27313 1 633 . 1 1 62 62 PRO CA C 13 64.853 0.031 . 1 . . . . . 83 PRO CA . 27313 1 634 . 1 1 62 62 PRO CB C 13 31.986 0.046 . 1 . . . . . 83 PRO CB . 27313 1 635 . 1 1 62 62 PRO CG C 13 27.355 0.018 . 1 . . . . . 83 PRO CG . 27313 1 636 . 1 1 62 62 PRO CD C 13 50.431 0.036 . 1 . . . . . 83 PRO CD . 27313 1 637 . 1 1 63 63 SER H H 1 8.229 0.004 . 1 . . . . . 84 SER H . 27313 1 638 . 1 1 63 63 SER HA H 1 4.277 0.003 . 1 . . . . . 84 SER HA . 27313 1 639 . 1 1 63 63 SER HB2 H 1 3.958 0.000 . 2 . . . . . 84 SER QB . 27313 1 640 . 1 1 63 63 SER HB3 H 1 3.958 0.000 . 2 . . . . . 84 SER QB . 27313 1 641 . 1 1 63 63 SER CA C 13 61.485 0.000 . 1 . . . . . 84 SER CA . 27313 1 642 . 1 1 63 63 SER CB C 13 62.794 0.000 . 1 . . . . . 84 SER CB . 27313 1 643 . 1 1 63 63 SER N N 15 112.893 0.013 . 1 . . . . . 84 SER N . 27313 1 644 . 1 1 64 64 GLU H H 1 7.225 0.002 . 1 . . . . . 85 GLU H . 27313 1 645 . 1 1 64 64 GLU HA H 1 4.679 0.006 . 1 . . . . . 85 GLU HA . 27313 1 646 . 1 1 64 64 GLU HB2 H 1 2.275 0.002 . 2 . . . . . 85 GLU HB2 . 27313 1 647 . 1 1 64 64 GLU HB3 H 1 1.569 0.003 . 2 . . . . . 85 GLU HB3 . 27313 1 648 . 1 1 64 64 GLU HG2 H 1 2.223 0.000 . 2 . . . . . 85 GLU HG2 . 27313 1 649 . 1 1 64 64 GLU HG3 H 1 2.072 0.000 . 2 . . . . . 85 GLU HG3 . 27313 1 650 . 1 1 64 64 GLU CA C 13 55.266 0.034 . 1 . . . . . 85 GLU CA . 27313 1 651 . 1 1 64 64 GLU CB C 13 31.493 0.026 . 1 . . . . . 85 GLU CB . 27313 1 652 . 1 1 64 64 GLU CG C 13 36.545 0.012 . 1 . . . . . 85 GLU CG . 27313 1 653 . 1 1 64 64 GLU N N 15 117.589 0.023 . 1 . . . . . 85 GLU N . 27313 1 654 . 1 1 65 65 ALA H H 1 7.457 0.002 . 1 . . . . . 86 ALA H . 27313 1 655 . 1 1 65 65 ALA HA H 1 3.727 0.006 . 1 . . . . . 86 ALA HA . 27313 1 656 . 1 1 65 65 ALA HB1 H 1 1.197 0.000 . 1 . . . . . 86 ALA HB . 27313 1 657 . 1 1 65 65 ALA HB2 H 1 1.197 0.000 . 1 . . . . . 86 ALA HB . 27313 1 658 . 1 1 65 65 ALA HB3 H 1 1.197 0.000 . 1 . . . . . 86 ALA HB . 27313 1 659 . 1 1 65 65 ALA CA C 13 56.475 0.008 . 1 . . . . . 86 ALA CA . 27313 1 660 . 1 1 65 65 ALA CB C 13 19.055 0.021 . 1 . . . . . 86 ALA CB . 27313 1 661 . 1 1 65 65 ALA N N 15 122.001 0.025 . 1 . . . . . 86 ALA N . 27313 1 662 . 1 1 66 66 ASP H H 1 8.798 0.004 . 1 . . . . . 87 ASP H . 27313 1 663 . 1 1 66 66 ASP HA H 1 4.116 0.001 . 1 . . . . . 87 ASP HA . 27313 1 664 . 1 1 66 66 ASP HB2 H 1 2.517 0.000 . 2 . . . . . 87 ASP QB . 27313 1 665 . 1 1 66 66 ASP HB3 H 1 2.517 0.000 . 2 . . . . . 87 ASP QB . 27313 1 666 . 1 1 66 66 ASP CA C 13 58.867 0.014 . 1 . . . . . 87 ASP CA . 27313 1 667 . 1 1 66 66 ASP CB C 13 39.646 0.008 . 1 . . . . . 87 ASP CB . 27313 1 668 . 1 1 66 66 ASP N N 15 116.748 0.014 . 1 . . . . . 87 ASP N . 27313 1 669 . 1 1 67 67 ARG H H 1 7.802 0.004 . 1 . . . . . 88 ARG H . 27313 1 670 . 1 1 67 67 ARG HA H 1 4.023 0.002 . 1 . . . . . 88 ARG HA . 27313 1 671 . 1 1 67 67 ARG HB2 H 1 1.835 0.003 . 2 . . . . . 88 ARG QB . 27313 1 672 . 1 1 67 67 ARG HB3 H 1 1.835 0.003 . 2 . . . . . 88 ARG QB . 27313 1 673 . 1 1 67 67 ARG HG2 H 1 1.671 0.000 . 2 . . . . . 88 ARG HG2 . 27313 1 674 . 1 1 67 67 ARG HG3 H 1 1.574 0.000 . 2 . . . . . 88 ARG HG3 . 27313 1 675 . 1 1 67 67 ARG HD2 H 1 3.232 0.004 . 2 . . . . . 88 ARG HD2 . 27313 1 676 . 1 1 67 67 ARG HD3 H 1 3.166 0.000 . 2 . . . . . 88 ARG HD3 . 27313 1 677 . 1 1 67 67 ARG CA C 13 59.332 0.045 . 1 . . . . . 88 ARG CA . 27313 1 678 . 1 1 67 67 ARG CB C 13 29.928 0.049 . 1 . . . . . 88 ARG CB . 27313 1 679 . 1 1 67 67 ARG CG C 13 27.231 0.055 . 1 . . . . . 88 ARG CG . 27313 1 680 . 1 1 67 67 ARG CD C 13 43.262 0.013 . 1 . . . . . 88 ARG CD . 27313 1 681 . 1 1 67 67 ARG N N 15 120.714 0.008 . 1 . . . . . 88 ARG N . 27313 1 682 . 1 1 68 68 LEU H H 1 8.309 0.004 . 1 . . . . . 89 LEU H . 27313 1 683 . 1 1 68 68 LEU HA H 1 3.915 0.001 . 1 . . . . . 89 LEU HA . 27313 1 684 . 1 1 68 68 LEU HB2 H 1 1.742 0.004 . 2 . . . . . 89 LEU HB2 . 27313 1 685 . 1 1 68 68 LEU HB3 H 1 1.669 0.000 . 2 . . . . . 89 LEU HB3 . 27313 1 686 . 1 1 68 68 LEU HG H 1 1.738 0.003 . 1 . . . . . 89 LEU HG . 27313 1 687 . 1 1 68 68 LEU HD11 H 1 0.905 0.000 . 2 . . . . . 89 LEU QD1 . 27313 1 688 . 1 1 68 68 LEU HD12 H 1 0.905 0.000 . 2 . . . . . 89 LEU QD1 . 27313 1 689 . 1 1 68 68 LEU HD13 H 1 0.905 0.000 . 2 . . . . . 89 LEU QD1 . 27313 1 690 . 1 1 68 68 LEU HD21 H 1 0.706 0.002 . 2 . . . . . 89 LEU QD2 . 27313 1 691 . 1 1 68 68 LEU HD22 H 1 0.706 0.002 . 2 . . . . . 89 LEU QD2 . 27313 1 692 . 1 1 68 68 LEU HD23 H 1 0.706 0.002 . 2 . . . . . 89 LEU QD2 . 27313 1 693 . 1 1 68 68 LEU CA C 13 58.184 0.016 . 1 . . . . . 89 LEU CA . 27313 1 694 . 1 1 68 68 LEU CB C 13 41.868 0.024 . 1 . . . . . 89 LEU CB . 27313 1 695 . 1 1 68 68 LEU CG C 13 27.384 0.006 . 1 . . . . . 89 LEU CG . 27313 1 696 . 1 1 68 68 LEU CD1 C 13 22.524 0.038 . 2 . . . . . 89 LEU CD1 . 27313 1 697 . 1 1 68 68 LEU CD2 C 13 24.954 0.052 . 2 . . . . . 89 LEU CD2 . 27313 1 698 . 1 1 68 68 LEU N N 15 120.871 0.008 . 1 . . . . . 89 LEU N . 27313 1 699 . 1 1 69 69 CYS H H 1 8.572 0.002 . 1 . . . . . 90 CYS H . 27313 1 700 . 1 1 69 69 CYS HA H 1 3.920 0.001 . 1 . . . . . 90 CYS HA . 27313 1 701 . 1 1 69 69 CYS HB2 H 1 2.613 0.001 . 2 . . . . . 90 CYS HB2 . 27313 1 702 . 1 1 69 69 CYS HB3 H 1 2.773 0.009 . 2 . . . . . 90 CYS HB3 . 27313 1 703 . 1 1 69 69 CYS CA C 13 64.435 0.022 . 1 . . . . . 90 CYS CA . 27313 1 704 . 1 1 69 69 CYS CB C 13 27.029 0.041 . 1 . . . . . 90 CYS CB . 27313 1 705 . 1 1 69 69 CYS N N 15 115.322 0.016 . 1 . . . . . 90 CYS N . 27313 1 706 . 1 1 70 70 GLU H H 1 8.295 0.004 . 1 . . . . . 91 GLU H . 27313 1 707 . 1 1 70 70 GLU HA H 1 3.904 0.002 . 1 . . . . . 91 GLU HA . 27313 1 708 . 1 1 70 70 GLU HB2 H 1 2.215 0.000 . 2 . . . . . 91 GLU HB2 . 27313 1 709 . 1 1 70 70 GLU HB3 H 1 2.053 0.002 . 2 . . . . . 91 GLU HB3 . 27313 1 710 . 1 1 70 70 GLU HG2 H 1 2.310 0.000 . 2 . . . . . 91 GLU HG2 . 27313 1 711 . 1 1 70 70 GLU HG3 H 1 2.215 0.000 . 2 . . . . . 91 GLU HG3 . 27313 1 712 . 1 1 70 70 GLU CA C 13 60.132 0.015 . 1 . . . . . 91 GLU CA . 27313 1 713 . 1 1 70 70 GLU CB C 13 29.350 0.102 . 1 . . . . . 91 GLU CB . 27313 1 714 . 1 1 70 70 GLU CG C 13 36.265 0.032 . 1 . . . . . 91 GLU CG . 27313 1 715 . 1 1 70 70 GLU N N 15 123.663 0.020 . 1 . . . . . 91 GLU N . 27313 1 716 . 1 1 71 71 GLU H H 1 7.434 0.000 . 1 . . . . . 92 GLU H . 27313 1 717 . 1 1 71 71 GLU HA H 1 4.102 0.001 . 1 . . . . . 92 GLU HA . 27313 1 718 . 1 1 71 71 GLU HB2 H 1 2.152 0.002 . 2 . . . . . 92 GLU HB2 . 27313 1 719 . 1 1 71 71 GLU HB3 H 1 1.961 0.000 . 2 . . . . . 92 GLU HB3 . 27313 1 720 . 1 1 71 71 GLU HG2 H 1 2.426 0.001 . 2 . . . . . 92 GLU HG2 . 27313 1 721 . 1 1 71 71 GLU HG3 H 1 2.092 0.001 . 2 . . . . . 92 GLU HG3 . 27313 1 722 . 1 1 71 71 GLU CA C 13 59.172 0.026 . 1 . . . . . 92 GLU CA . 27313 1 723 . 1 1 71 71 GLU CB C 13 29.546 0.041 . 1 . . . . . 92 GLU CB . 27313 1 724 . 1 1 71 71 GLU CG C 13 36.577 0.023 . 1 . . . . . 92 GLU CG . 27313 1 725 . 1 1 71 71 GLU N N 15 119.366 0.000 . 1 . . . . . 92 GLU N . 27313 1 726 . 1 1 72 72 ALA H H 1 8.236 0.003 . 1 . . . . . 93 ALA H . 27313 1 727 . 1 1 72 72 ALA HA H 1 3.769 0.000 . 1 . . . . . 93 ALA HA . 27313 1 728 . 1 1 72 72 ALA HB1 H 1 1.507 0.006 . 1 . . . . . 93 ALA HB . 27313 1 729 . 1 1 72 72 ALA HB2 H 1 1.507 0.006 . 1 . . . . . 93 ALA HB . 27313 1 730 . 1 1 72 72 ALA HB3 H 1 1.507 0.006 . 1 . . . . . 93 ALA HB . 27313 1 731 . 1 1 72 72 ALA CA C 13 55.545 0.004 . 1 . . . . . 93 ALA CA . 27313 1 732 . 1 1 72 72 ALA CB C 13 19.466 0.007 . 1 . . . . . 93 ALA CB . 27313 1 733 . 1 1 72 72 ALA N N 15 121.417 0.007 . 1 . . . . . 93 ALA N . 27313 1 734 . 1 1 73 73 GLU H H 1 8.774 0.004 . 1 . . . . . 94 GLU H . 27313 1 735 . 1 1 73 73 GLU HA H 1 3.902 0.000 . 1 . . . . . 94 GLU HA . 27313 1 736 . 1 1 73 73 GLU HB2 H 1 2.005 0.000 . 2 . . . . . 94 GLU HB2 . 27313 1 737 . 1 1 73 73 GLU HB3 H 1 2.215 0.000 . 2 . . . . . 94 GLU HB3 . 27313 1 738 . 1 1 73 73 GLU HG3 H 1 2.285 0.000 . 2 . . . . . 94 GLU HG3 . 27313 1 739 . 1 1 73 73 GLU CA C 13 59.725 0.025 . 1 . . . . . 94 GLU CA . 27313 1 740 . 1 1 73 73 GLU CB C 13 28.736 0.023 . 1 . . . . . 94 GLU CB . 27313 1 741 . 1 1 73 73 GLU CG C 13 36.557 0.000 . 1 . . . . . 94 GLU CG . 27313 1 742 . 1 1 73 73 GLU N N 15 118.400 0.011 . 1 . . . . . 94 GLU N . 27313 1 743 . 1 1 74 74 SER H H 1 7.683 0.002 . 1 . . . . . 95 SER H . 27313 1 744 . 1 1 74 74 SER HA H 1 4.338 0.001 . 1 . . . . . 95 SER HA . 27313 1 745 . 1 1 74 74 SER HB2 H 1 4.044 0.000 . 2 . . . . . 95 SER QB . 27313 1 746 . 1 1 74 74 SER HB3 H 1 4.044 0.000 . 2 . . . . . 95 SER QB . 27313 1 747 . 1 1 74 74 SER CA C 13 61.798 0.000 . 1 . . . . . 95 SER CA . 27313 1 748 . 1 1 74 74 SER CB C 13 62.571 0.000 . 1 . . . . . 95 SER CB . 27313 1 749 . 1 1 74 74 SER N N 15 115.973 0.017 . 1 . . . . . 95 SER N . 27313 1 750 . 1 1 75 75 MET H H 1 7.668 0.003 . 1 . . . . . 96 MET H . 27313 1 751 . 1 1 75 75 MET HA H 1 4.580 0.006 . 1 . . . . . 96 MET HA . 27313 1 752 . 1 1 75 75 MET HB2 H 1 2.300 0.005 . 2 . . . . . 96 MET HB2 . 27313 1 753 . 1 1 75 75 MET HB3 H 1 2.223 0.006 . 2 . . . . . 96 MET HB3 . 27313 1 754 . 1 1 75 75 MET HG2 H 1 2.713 0.000 . 2 . . . . . 96 MET HG2 . 27313 1 755 . 1 1 75 75 MET HG3 H 1 2.636 0.000 . 2 . . . . . 96 MET HG3 . 27313 1 756 . 1 1 75 75 MET HE1 H 1 2.126 0.000 . 1 . . . . . 96 MET HE . 27313 1 757 . 1 1 75 75 MET HE2 H 1 2.126 0.000 . 1 . . . . . 96 MET HE . 27313 1 758 . 1 1 75 75 MET HE3 H 1 2.126 0.000 . 1 . . . . . 96 MET HE . 27313 1 759 . 1 1 75 75 MET CA C 13 56.567 0.119 . 1 . . . . . 96 MET CA . 27313 1 760 . 1 1 75 75 MET CB C 13 31.436 0.104 . 1 . . . . . 96 MET CB . 27313 1 761 . 1 1 75 75 MET CG C 13 32.877 0.132 . 1 . . . . . 96 MET CG . 27313 1 762 . 1 1 75 75 MET CE C 13 17.174 0.009 . 1 . . . . . 96 MET CE . 27313 1 763 . 1 1 75 75 MET N N 15 121.073 0.039 . 1 . . . . . 96 MET N . 27313 1 764 . 1 1 76 76 LEU H H 1 8.662 0.002 . 1 . . . . . 97 LEU H . 27313 1 765 . 1 1 76 76 LEU HA H 1 4.083 0.000 . 1 . . . . . 97 LEU HA . 27313 1 766 . 1 1 76 76 LEU HB2 H 1 2.021 0.008 . 2 . . . . . 97 LEU HB2 . 27313 1 767 . 1 1 76 76 LEU HB3 H 1 1.315 0.003 . 2 . . . . . 97 LEU HB3 . 27313 1 768 . 1 1 76 76 LEU HG H 1 1.770 0.000 . 1 . . . . . 97 LEU HG . 27313 1 769 . 1 1 76 76 LEU HD11 H 1 0.755 0.001 . 2 . . . . . 97 LEU QD1 . 27313 1 770 . 1 1 76 76 LEU HD12 H 1 0.755 0.001 . 2 . . . . . 97 LEU QD1 . 27313 1 771 . 1 1 76 76 LEU HD13 H 1 0.755 0.001 . 2 . . . . . 97 LEU QD1 . 27313 1 772 . 1 1 76 76 LEU HD21 H 1 0.922 0.001 . 2 . . . . . 97 LEU QD2 . 27313 1 773 . 1 1 76 76 LEU HD22 H 1 0.922 0.001 . 2 . . . . . 97 LEU QD2 . 27313 1 774 . 1 1 76 76 LEU HD23 H 1 0.922 0.001 . 2 . . . . . 97 LEU QD2 . 27313 1 775 . 1 1 76 76 LEU CA C 13 57.973 0.014 . 1 . . . . . 97 LEU CA . 27313 1 776 . 1 1 76 76 LEU CB C 13 40.456 0.078 . 1 . . . . . 97 LEU CB . 27313 1 777 . 1 1 76 76 LEU CG C 13 26.908 0.049 . 1 . . . . . 97 LEU CG . 27313 1 778 . 1 1 76 76 LEU CD1 C 13 25.431 0.041 . 1 . . . . . 97 LEU CD1 . 27313 1 779 . 1 1 76 76 LEU CD2 C 13 23.336 0.024 . 1 . . . . . 97 LEU CD2 . 27313 1 780 . 1 1 76 76 LEU N N 15 122.692 0.013 . 1 . . . . . 97 LEU N . 27313 1 781 . 1 1 77 77 SER H H 1 8.143 0.003 . 1 . . . . . 98 SER H . 27313 1 782 . 1 1 77 77 SER HA H 1 4.184 0.008 . 1 . . . . . 98 SER HA . 27313 1 783 . 1 1 77 77 SER HB2 H 1 3.984 0.000 . 2 . . . . . 98 SER HB2 . 27313 1 784 . 1 1 77 77 SER HB3 H 1 4.036 0.000 . 2 . . . . . 98 SER HB3 . 27313 1 785 . 1 1 77 77 SER CA C 13 62.188 0.027 . 1 . . . . . 98 SER CA . 27313 1 786 . 1 1 77 77 SER CB C 13 62.253 0.003 . 1 . . . . . 98 SER CB . 27313 1 787 . 1 1 77 77 SER N N 15 116.197 0.010 . 1 . . . . . 98 SER N . 27313 1 788 . 1 1 78 78 LYS H H 1 7.656 0.002 . 1 . . . . . 99 LYS H . 27313 1 789 . 1 1 78 78 LYS HA H 1 4.166 0.001 . 1 . . . . . 99 LYS HA . 27313 1 790 . 1 1 78 78 LYS HB2 H 1 2.108 0.002 . 2 . . . . . 99 LYS HB2 . 27313 1 791 . 1 1 78 78 LYS HB3 H 1 2.048 0.001 . 2 . . . . . 99 LYS HB3 . 27313 1 792 . 1 1 78 78 LYS HG2 H 1 1.541 0.005 . 2 . . . . . 99 LYS HG2 . 27313 1 793 . 1 1 78 78 LYS HG3 H 1 1.434 0.000 . 2 . . . . . 99 LYS HG3 . 27313 1 794 . 1 1 78 78 LYS HD2 H 1 1.738 0.000 . 2 . . . . . 99 LYS QD . 27313 1 795 . 1 1 78 78 LYS HD3 H 1 1.738 0.000 . 2 . . . . . 99 LYS QD . 27313 1 796 . 1 1 78 78 LYS HE2 H 1 2.976 0.004 . 2 . . . . . 99 LYS QE . 27313 1 797 . 1 1 78 78 LYS HE3 H 1 2.976 0.004 . 2 . . . . . 99 LYS QE . 27313 1 798 . 1 1 78 78 LYS CA C 13 59.341 0.026 . 1 . . . . . 99 LYS CA . 27313 1 799 . 1 1 78 78 LYS CB C 13 31.537 0.051 . 1 . . . . . 99 LYS CB . 27313 1 800 . 1 1 78 78 LYS CG C 13 24.962 0.068 . 1 . . . . . 99 LYS CG . 27313 1 801 . 1 1 78 78 LYS CD C 13 29.019 0.052 . 1 . . . . . 99 LYS CD . 27313 1 802 . 1 1 78 78 LYS CE C 13 41.898 0.020 . 1 . . . . . 99 LYS CE . 27313 1 803 . 1 1 78 78 LYS N N 15 124.047 0.009 . 1 . . . . . 99 LYS N . 27313 1 804 . 1 1 79 79 ALA H H 1 8.677 0.002 . 1 . . . . . 100 ALA H . 27313 1 805 . 1 1 79 79 ALA HA H 1 4.189 0.002 . 1 . . . . . 100 ALA HA . 27313 1 806 . 1 1 79 79 ALA HB1 H 1 1.842 0.006 . 1 . . . . . 100 ALA HB . 27313 1 807 . 1 1 79 79 ALA HB2 H 1 1.842 0.006 . 1 . . . . . 100 ALA HB . 27313 1 808 . 1 1 79 79 ALA HB3 H 1 1.842 0.006 . 1 . . . . . 100 ALA HB . 27313 1 809 . 1 1 79 79 ALA CA C 13 55.626 0.000 . 1 . . . . . 100 ALA CA . 27313 1 810 . 1 1 79 79 ALA CB C 13 18.123 0.044 . 1 . . . . . 100 ALA CB . 27313 1 811 . 1 1 79 79 ALA N N 15 121.356 0.019 . 1 . . . . . 100 ALA N . 27313 1 812 . 1 1 80 80 GLU H H 1 8.450 0.002 . 1 . . . . . 101 GLU H . 27313 1 813 . 1 1 80 80 GLU HA H 1 3.564 0.001 . 1 . . . . . 101 GLU HA . 27313 1 814 . 1 1 80 80 GLU HB2 H 1 2.266 0.000 . 2 . . . . . 101 GLU HB2 . 27313 1 815 . 1 1 80 80 GLU HB3 H 1 2.085 0.000 . 2 . . . . . 101 GLU HB3 . 27313 1 816 . 1 1 80 80 GLU HG2 H 1 2.163 0.000 . 2 . . . . . 101 GLU QG . 27313 1 817 . 1 1 80 80 GLU HG3 H 1 2.163 0.000 . 2 . . . . . 101 GLU QG . 27313 1 818 . 1 1 80 80 GLU CA C 13 60.008 0.007 . 1 . . . . . 101 GLU CA . 27313 1 819 . 1 1 80 80 GLU CB C 13 30.068 0.060 . 1 . . . . . 101 GLU CB . 27313 1 820 . 1 1 80 80 GLU CG C 13 36.317 0.033 . 1 . . . . . 101 GLU CG . 27313 1 821 . 1 1 80 80 GLU N N 15 119.609 0.013 . 1 . . . . . 101 GLU N . 27313 1 822 . 1 1 81 81 SER H H 1 8.288 0.004 . 1 . . . . . 102 SER H . 27313 1 823 . 1 1 81 81 SER HA H 1 4.349 0.001 . 1 . . . . . 102 SER HA . 27313 1 824 . 1 1 81 81 SER HB2 H 1 4.072 0.004 . 2 . . . . . 102 SER QB . 27313 1 825 . 1 1 81 81 SER HB3 H 1 4.072 0.004 . 2 . . . . . 102 SER QB . 27313 1 826 . 1 1 81 81 SER CA C 13 61.632 0.087 . 1 . . . . . 102 SER CA . 27313 1 827 . 1 1 81 81 SER CB C 13 63.034 0.009 . 1 . . . . . 102 SER CB . 27313 1 828 . 1 1 81 81 SER N N 15 118.606 0.011 . 1 . . . . . 102 SER N . 27313 1 829 . 1 1 82 82 LEU H H 1 7.572 0.002 . 1 . . . . . 103 LEU H . 27313 1 830 . 1 1 82 82 LEU HA H 1 4.536 0.001 . 1 . . . . . 103 LEU HA . 27313 1 831 . 1 1 82 82 LEU HB2 H 1 1.831 0.000 . 2 . . . . . 103 LEU HB2 . 27313 1 832 . 1 1 82 82 LEU HB3 H 1 1.927 0.002 . 2 . . . . . 103 LEU HB3 . 27313 1 833 . 1 1 82 82 LEU HG H 1 1.844 0.000 . 1 . . . . . 103 LEU HG . 27313 1 834 . 1 1 82 82 LEU HD11 H 1 0.855 0.000 . 2 . . . . . 103 LEU QD1 . 27313 1 835 . 1 1 82 82 LEU HD12 H 1 0.855 0.000 . 2 . . . . . 103 LEU QD1 . 27313 1 836 . 1 1 82 82 LEU HD13 H 1 0.855 0.000 . 2 . . . . . 103 LEU QD1 . 27313 1 837 . 1 1 82 82 LEU HD21 H 1 0.910 0.000 . 2 . . . . . 103 LEU QD2 . 27313 1 838 . 1 1 82 82 LEU HD22 H 1 0.910 0.000 . 2 . . . . . 103 LEU QD2 . 27313 1 839 . 1 1 82 82 LEU HD23 H 1 0.910 0.000 . 2 . . . . . 103 LEU QD2 . 27313 1 840 . 1 1 82 82 LEU CA C 13 54.604 0.012 . 1 . . . . . 103 LEU CA . 27313 1 841 . 1 1 82 82 LEU CB C 13 42.811 0.019 . 1 . . . . . 103 LEU CB . 27313 1 842 . 1 1 82 82 LEU CG C 13 26.509 0.042 . 1 . . . . . 103 LEU CG . 27313 1 843 . 1 1 82 82 LEU CD1 C 13 26.485 0.008 . 1 . . . . . 103 LEU CD1 . 27313 1 844 . 1 1 82 82 LEU CD2 C 13 22.367 0.025 . 1 . . . . . 103 LEU CD2 . 27313 1 845 . 1 1 82 82 LEU N N 15 121.317 0.017 . 1 . . . . . 103 LEU N . 27313 1 846 . 1 1 83 83 GLY H H 1 7.868 0.003 . 1 . . . . . 104 GLY H . 27313 1 847 . 1 1 83 83 GLY HA2 H 1 4.083 0.000 . 2 . . . . . 104 GLY HA2 . 27313 1 848 . 1 1 83 83 GLY HA3 H 1 3.793 0.004 . 2 . . . . . 104 GLY HA3 . 27313 1 849 . 1 1 83 83 GLY CA C 13 45.915 0.061 . 1 . . . . . 104 GLY CA . 27313 1 850 . 1 1 83 83 GLY N N 15 108.229 0.006 . 1 . . . . . 104 GLY N . 27313 1 851 . 1 1 84 84 GLY H H 1 7.725 0.003 . 1 . . . . . 105 GLY H . 27313 1 852 . 1 1 84 84 GLY HA2 H 1 1.370 0.000 . 2 . . . . . 105 GLY HA2 . 27313 1 853 . 1 1 84 84 GLY HA3 H 1 2.092 0.003 . 2 . . . . . 105 GLY HA3 . 27313 1 854 . 1 1 84 84 GLY CA C 13 44.044 0.011 . 1 . . . . . 105 GLY CA . 27313 1 855 . 1 1 84 84 GLY N N 15 105.314 0.015 . 1 . . . . . 105 GLY N . 27313 1 856 . 1 1 85 85 ASP H H 1 3.325 0.004 . 1 . . . . . 106 ASP H . 27313 1 857 . 1 1 85 85 ASP HA H 1 4.048 0.000 . 1 . . . . . 106 ASP HA . 27313 1 858 . 1 1 85 85 ASP HB2 H 1 2.345 0.000 . 2 . . . . . 106 ASP HB2 . 27313 1 859 . 1 1 85 85 ASP HB3 H 1 2.261 0.000 . 2 . . . . . 106 ASP HB3 . 27313 1 860 . 1 1 85 85 ASP CA C 13 54.356 0.029 . 1 . . . . . 106 ASP CA . 27313 1 861 . 1 1 85 85 ASP CB C 13 43.050 0.016 . 1 . . . . . 106 ASP CB . 27313 1 862 . 1 1 85 85 ASP N N 15 116.189 0.012 . 1 . . . . . 106 ASP N . 27313 1 863 . 1 1 86 86 LEU H H 1 8.637 0.001 . 1 . . . . . 107 LEU H . 27313 1 864 . 1 1 86 86 LEU HA H 1 3.795 0.002 . 1 . . . . . 107 LEU HA . 27313 1 865 . 1 1 86 86 LEU HB2 H 1 1.465 0.001 . 2 . . . . . 107 LEU HB2 . 27313 1 866 . 1 1 86 86 LEU HB3 H 1 1.606 0.000 . 2 . . . . . 107 LEU HB3 . 27313 1 867 . 1 1 86 86 LEU HG H 1 1.516 0.004 . 1 . . . . . 107 LEU HG . 27313 1 868 . 1 1 86 86 LEU HD11 H 1 0.865 0.000 . 2 . . . . . 107 LEU QD1 . 27313 1 869 . 1 1 86 86 LEU HD12 H 1 0.865 0.000 . 2 . . . . . 107 LEU QD1 . 27313 1 870 . 1 1 86 86 LEU HD13 H 1 0.865 0.000 . 2 . . . . . 107 LEU QD1 . 27313 1 871 . 1 1 86 86 LEU HD21 H 1 0.821 0.001 . 2 . . . . . 107 LEU QD2 . 27313 1 872 . 1 1 86 86 LEU HD22 H 1 0.821 0.001 . 2 . . . . . 107 LEU QD2 . 27313 1 873 . 1 1 86 86 LEU HD23 H 1 0.821 0.001 . 2 . . . . . 107 LEU QD2 . 27313 1 874 . 1 1 86 86 LEU CA C 13 57.970 0.036 . 1 . . . . . 107 LEU CA . 27313 1 875 . 1 1 86 86 LEU CB C 13 41.712 0.040 . 1 . . . . . 107 LEU CB . 27313 1 876 . 1 1 86 86 LEU CG C 13 27.089 0.047 . 1 . . . . . 107 LEU CG . 27313 1 877 . 1 1 86 86 LEU CD1 C 13 23.332 0.033 . 1 . . . . . 107 LEU CD1 . 27313 1 878 . 1 1 86 86 LEU CD2 C 13 24.256 0.112 . 1 . . . . . 107 LEU CD2 . 27313 1 879 . 1 1 86 86 LEU N N 15 130.234 0.012 . 1 . . . . . 107 LEU N . 27313 1 880 . 1 1 87 87 SER H H 1 8.369 0.004 . 1 . . . . . 108 SER H . 27313 1 881 . 1 1 87 87 SER HA H 1 4.041 0.000 . 1 . . . . . 108 SER HA . 27313 1 882 . 1 1 87 87 SER HB2 H 1 4.328 0.000 . 2 . . . . . 108 SER HB2 . 27313 1 883 . 1 1 87 87 SER HB3 H 1 3.975 0.000 . 2 . . . . . 108 SER HB3 . 27313 1 884 . 1 1 87 87 SER HG H 1 5.794 0.001 . 1 . . . . . 108 SER HG . 27313 1 885 . 1 1 87 87 SER CA C 13 62.281 0.042 . 1 . . . . . 108 SER CA . 27313 1 886 . 1 1 87 87 SER CB C 13 63.842 0.050 . 1 . . . . . 108 SER CB . 27313 1 887 . 1 1 87 87 SER N N 15 112.565 0.002 . 1 . . . . . 108 SER N . 27313 1 888 . 1 1 88 88 GLU H H 1 8.296 0.003 . 1 . . . . . 109 GLU H . 27313 1 889 . 1 1 88 88 GLU HA H 1 4.629 0.000 . 1 . . . . . 109 GLU HA . 27313 1 890 . 1 1 88 88 GLU HB2 H 1 2.340 0.001 . 2 . . . . . 109 GLU HB2 . 27313 1 891 . 1 1 88 88 GLU HB3 H 1 1.861 0.000 . 2 . . . . . 109 GLU HB3 . 27313 1 892 . 1 1 88 88 GLU HG2 H 1 2.671 0.001 . 2 . . . . . 109 GLU QG . 27313 1 893 . 1 1 88 88 GLU HG3 H 1 2.671 0.001 . 2 . . . . . 109 GLU QG . 27313 1 894 . 1 1 88 88 GLU CA C 13 58.043 0.000 . 1 . . . . . 109 GLU CA . 27313 1 895 . 1 1 88 88 GLU CB C 13 28.145 0.017 . 1 . . . . . 109 GLU CB . 27313 1 896 . 1 1 88 88 GLU CG C 13 33.401 0.044 . 1 . . . . . 109 GLU CG . 27313 1 897 . 1 1 88 88 GLU N N 15 116.761 0.020 . 1 . . . . . 109 GLU N . 27313 1 898 . 1 1 89 89 ILE H H 1 8.636 0.003 . 1 . . . . . 110 ILE H . 27313 1 899 . 1 1 89 89 ILE HA H 1 3.722 0.001 . 1 . . . . . 110 ILE HA . 27313 1 900 . 1 1 89 89 ILE HB H 1 1.825 0.002 . 1 . . . . . 110 ILE HB . 27313 1 901 . 1 1 89 89 ILE HG12 H 1 1.812 0.000 . 2 . . . . . 110 ILE HG12 . 27313 1 902 . 1 1 89 89 ILE HG13 H 1 0.966 0.006 . 2 . . . . . 110 ILE HG13 . 27313 1 903 . 1 1 89 89 ILE HG21 H 1 0.905 0.001 . 1 . . . . . 110 ILE QG2 . 27313 1 904 . 1 1 89 89 ILE HG22 H 1 0.905 0.001 . 1 . . . . . 110 ILE QG2 . 27313 1 905 . 1 1 89 89 ILE HG23 H 1 0.905 0.001 . 1 . . . . . 110 ILE QG2 . 27313 1 906 . 1 1 89 89 ILE HD11 H 1 0.462 0.001 . 1 . . . . . 110 ILE QD1 . 27313 1 907 . 1 1 89 89 ILE HD12 H 1 0.462 0.001 . 1 . . . . . 110 ILE QD1 . 27313 1 908 . 1 1 89 89 ILE HD13 H 1 0.462 0.001 . 1 . . . . . 110 ILE QD1 . 27313 1 909 . 1 1 89 89 ILE CA C 13 66.438 0.024 . 1 . . . . . 110 ILE CA . 27313 1 910 . 1 1 89 89 ILE CB C 13 38.686 0.030 . 1 . . . . . 110 ILE CB . 27313 1 911 . 1 1 89 89 ILE CG1 C 13 30.527 0.039 . 1 . . . . . 110 ILE CG1 . 27313 1 912 . 1 1 89 89 ILE CG2 C 13 17.297 0.034 . 1 . . . . . 110 ILE CG2 . 27313 1 913 . 1 1 89 89 ILE CD1 C 13 13.541 0.017 . 1 . . . . . 110 ILE CD1 . 27313 1 914 . 1 1 89 89 ILE N N 15 123.412 0.020 . 1 . . . . . 110 ILE N . 27313 1 915 . 1 1 90 90 ALA H H 1 8.922 0.003 . 1 . . . . . 111 ALA H . 27313 1 916 . 1 1 90 90 ALA HA H 1 4.190 0.000 . 1 . . . . . 111 ALA HA . 27313 1 917 . 1 1 90 90 ALA HB1 H 1 1.721 0.005 . 1 . . . . . 111 ALA HB . 27313 1 918 . 1 1 90 90 ALA HB2 H 1 1.721 0.005 . 1 . . . . . 111 ALA HB . 27313 1 919 . 1 1 90 90 ALA HB3 H 1 1.721 0.005 . 1 . . . . . 111 ALA HB . 27313 1 920 . 1 1 90 90 ALA CA C 13 55.762 0.013 . 1 . . . . . 111 ALA CA . 27313 1 921 . 1 1 90 90 ALA CB C 13 17.725 0.038 . 1 . . . . . 111 ALA CB . 27313 1 922 . 1 1 90 90 ALA N N 15 124.496 0.004 . 1 . . . . . 111 ALA N . 27313 1 923 . 1 1 91 91 CYS H H 1 7.806 0.003 . 1 . . . . . 112 CYS H . 27313 1 924 . 1 1 91 91 CYS HA H 1 3.953 0.000 . 1 . . . . . 112 CYS HA . 27313 1 925 . 1 1 91 91 CYS HB2 H 1 3.633 0.006 . 2 . . . . . 112 CYS HB2 . 27313 1 926 . 1 1 91 91 CYS HB3 H 1 2.622 0.000 . 2 . . . . . 112 CYS HB3 . 27313 1 927 . 1 1 91 91 CYS CA C 13 65.534 0.021 . 1 . . . . . 112 CYS CA . 27313 1 928 . 1 1 91 91 CYS CB C 13 26.995 0.025 . 1 . . . . . 112 CYS CB . 27313 1 929 . 1 1 91 91 CYS N N 15 114.588 0.006 . 1 . . . . . 112 CYS N . 27313 1 930 . 1 1 92 92 LEU H H 1 7.287 0.004 . 1 . . . . . 113 LEU H . 27313 1 931 . 1 1 92 92 LEU HA H 1 4.457 0.004 . 1 . . . . . 113 LEU HA . 27313 1 932 . 1 1 92 92 LEU HB2 H 1 1.409 0.001 . 2 . . . . . 113 LEU HB2 . 27313 1 933 . 1 1 92 92 LEU HB3 H 1 2.053 0.002 . 2 . . . . . 113 LEU HB3 . 27313 1 934 . 1 1 92 92 LEU HG H 1 1.965 0.000 . 1 . . . . . 113 LEU HG . 27313 1 935 . 1 1 92 92 LEU HD11 H 1 0.550 0.001 . 2 . . . . . 113 LEU QD1 . 27313 1 936 . 1 1 92 92 LEU HD12 H 1 0.550 0.001 . 2 . . . . . 113 LEU QD1 . 27313 1 937 . 1 1 92 92 LEU HD13 H 1 0.550 0.001 . 2 . . . . . 113 LEU QD1 . 27313 1 938 . 1 1 92 92 LEU HD21 H 1 0.982 0.000 . 2 . . . . . 113 LEU QD2 . 27313 1 939 . 1 1 92 92 LEU HD22 H 1 0.982 0.000 . 2 . . . . . 113 LEU QD2 . 27313 1 940 . 1 1 92 92 LEU HD23 H 1 0.982 0.000 . 2 . . . . . 113 LEU QD2 . 27313 1 941 . 1 1 92 92 LEU CA C 13 58.177 0.023 . 1 . . . . . 113 LEU CA . 27313 1 942 . 1 1 92 92 LEU CB C 13 40.971 0.023 . 1 . . . . . 113 LEU CB . 27313 1 943 . 1 1 92 92 LEU CG C 13 28.119 0.077 . 1 . . . . . 113 LEU CG . 27313 1 944 . 1 1 92 92 LEU CD1 C 13 27.470 0.026 . 1 . . . . . 113 LEU CD1 . 27313 1 945 . 1 1 92 92 LEU CD2 C 13 24.598 0.045 . 1 . . . . . 113 LEU CD2 . 27313 1 946 . 1 1 92 92 LEU N N 15 117.566 0.009 . 1 . . . . . 113 LEU N . 27313 1 947 . 1 1 93 93 ARG H H 1 8.742 0.006 . 1 . . . . . 114 ARG H . 27313 1 948 . 1 1 93 93 ARG HA H 1 3.916 0.003 . 1 . . . . . 114 ARG HA . 27313 1 949 . 1 1 93 93 ARG HB2 H 1 2.003 0.005 . 2 . . . . . 114 ARG HB2 . 27313 1 950 . 1 1 93 93 ARG HG2 H 1 1.462 0.001 . 2 . . . . . 114 ARG HG2 . 27313 1 951 . 1 1 93 93 ARG HD2 H 1 3.008 0.005 . 2 . . . . . 114 ARG QD . 27313 1 952 . 1 1 93 93 ARG HD3 H 1 3.008 0.005 . 2 . . . . . 114 ARG QD . 27313 1 953 . 1 1 93 93 ARG HE H 1 7.702 0.004 . 1 . . . . . 114 ARG HE . 27313 1 954 . 1 1 93 93 ARG CA C 13 60.879 0.041 . 1 . . . . . 114 ARG CA . 27313 1 955 . 1 1 93 93 ARG CB C 13 29.146 0.000 . 1 . . . . . 114 ARG CB . 27313 1 956 . 1 1 93 93 ARG CG C 13 31.351 0.046 . 1 . . . . . 114 ARG CG . 27313 1 957 . 1 1 93 93 ARG CD C 13 43.347 0.028 . 1 . . . . . 114 ARG CD . 27313 1 958 . 1 1 93 93 ARG N N 15 120.883 0.012 . 1 . . . . . 114 ARG N . 27313 1 959 . 1 1 93 93 ARG NE N 15 86.248 0.022 . 1 . . . . . 114 ARG NE . 27313 1 960 . 1 1 94 94 SER H H 1 8.557 0.002 . 1 . . . . . 115 SER H . 27313 1 961 . 1 1 94 94 SER HB2 H 1 4.076 0.000 . 2 . . . . . 115 SER QB . 27313 1 962 . 1 1 94 94 SER HB3 H 1 4.076 0.000 . 2 . . . . . 115 SER QB . 27313 1 963 . 1 1 94 94 SER N N 15 115.472 0.022 . 1 . . . . . 115 SER N . 27313 1 964 . 1 1 95 95 MET H H 1 8.022 0.001 . 1 . . . . . 116 MET H . 27313 1 965 . 1 1 95 95 MET HA H 1 4.255 0.000 . 1 . . . . . 116 MET HA . 27313 1 966 . 1 1 95 95 MET HB2 H 1 2.312 0.000 . 2 . . . . . 116 MET HB2 . 27313 1 967 . 1 1 95 95 MET HB3 H 1 2.374 0.004 . 2 . . . . . 116 MET HB3 . 27313 1 968 . 1 1 95 95 MET HG2 H 1 2.931 0.004 . 2 . . . . . 116 MET HG2 . 27313 1 969 . 1 1 95 95 MET HG3 H 1 2.601 0.002 . 2 . . . . . 116 MET HG3 . 27313 1 970 . 1 1 95 95 MET HE1 H 1 1.810 0.001 . 1 . . . . . 116 MET HE . 27313 1 971 . 1 1 95 95 MET HE2 H 1 1.810 0.001 . 1 . . . . . 116 MET HE . 27313 1 972 . 1 1 95 95 MET HE3 H 1 1.810 0.001 . 1 . . . . . 116 MET HE . 27313 1 973 . 1 1 95 95 MET CA C 13 59.888 0.025 . 1 . . . . . 116 MET CA . 27313 1 974 . 1 1 95 95 MET CB C 13 35.767 0.062 . 1 . . . . . 116 MET CB . 27313 1 975 . 1 1 95 95 MET CG C 13 33.070 0.011 . 1 . . . . . 116 MET CG . 27313 1 976 . 1 1 95 95 MET CE C 13 16.833 0.011 . 1 . . . . . 116 MET CE . 27313 1 977 . 1 1 95 95 MET N N 15 120.318 0.014 . 1 . . . . . 116 MET N . 27313 1 978 . 1 1 96 96 ALA H H 1 8.790 0.005 . 1 . . . . . 117 ALA H . 27313 1 979 . 1 1 96 96 ALA HA H 1 3.976 0.003 . 1 . . . . . 117 ALA HA . 27313 1 980 . 1 1 96 96 ALA HB1 H 1 1.396 0.003 . 1 . . . . . 117 ALA HB . 27313 1 981 . 1 1 96 96 ALA HB2 H 1 1.396 0.003 . 1 . . . . . 117 ALA HB . 27313 1 982 . 1 1 96 96 ALA HB3 H 1 1.396 0.003 . 1 . . . . . 117 ALA HB . 27313 1 983 . 1 1 96 96 ALA CA C 13 54.796 0.016 . 1 . . . . . 117 ALA CA . 27313 1 984 . 1 1 96 96 ALA CB C 13 17.430 0.019 . 1 . . . . . 117 ALA CB . 27313 1 985 . 1 1 96 96 ALA N N 15 121.393 0.017 . 1 . . . . . 117 ALA N . 27313 1 986 . 1 1 97 97 ALA H H 1 7.584 0.002 . 1 . . . . . 118 ALA H . 27313 1 987 . 1 1 97 97 ALA HA H 1 4.039 0.003 . 1 . . . . . 118 ALA HA . 27313 1 988 . 1 1 97 97 ALA HB1 H 1 1.690 0.002 . 1 . . . . . 118 ALA HB . 27313 1 989 . 1 1 97 97 ALA HB2 H 1 1.690 0.002 . 1 . . . . . 118 ALA HB . 27313 1 990 . 1 1 97 97 ALA HB3 H 1 1.690 0.002 . 1 . . . . . 118 ALA HB . 27313 1 991 . 1 1 97 97 ALA CA C 13 55.475 0.011 . 1 . . . . . 118 ALA CA . 27313 1 992 . 1 1 97 97 ALA CB C 13 17.032 0.049 . 1 . . . . . 118 ALA CB . 27313 1 993 . 1 1 97 97 ALA N N 15 119.764 0.005 . 1 . . . . . 118 ALA N . 27313 1 994 . 1 1 98 98 SER H H 1 8.509 0.002 . 1 . . . . . 119 SER H . 27313 1 995 . 1 1 98 98 SER HA H 1 4.274 0.001 . 1 . . . . . 119 SER HA . 27313 1 996 . 1 1 98 98 SER HB2 H 1 4.043 0.000 . 2 . . . . . 119 SER QB . 27313 1 997 . 1 1 98 98 SER HB3 H 1 4.043 0.000 . 2 . . . . . 119 SER QB . 27313 1 998 . 1 1 98 98 SER CA C 13 62.639 0.000 . 1 . . . . . 119 SER CA . 27313 1 999 . 1 1 98 98 SER CB C 13 62.092 0.000 . 1 . . . . . 119 SER CB . 27313 1 1000 . 1 1 98 98 SER N N 15 116.175 0.011 . 1 . . . . . 119 SER N . 27313 1 1001 . 1 1 99 99 ALA H H 1 8.335 0.004 . 1 . . . . . 120 ALA H . 27313 1 1002 . 1 1 99 99 ALA HA H 1 3.309 0.002 . 1 . . . . . 120 ALA HA . 27313 1 1003 . 1 1 99 99 ALA HB1 H 1 0.377 0.007 . 1 . . . . . 120 ALA HB . 27313 1 1004 . 1 1 99 99 ALA HB2 H 1 0.377 0.007 . 1 . . . . . 120 ALA HB . 27313 1 1005 . 1 1 99 99 ALA HB3 H 1 0.377 0.007 . 1 . . . . . 120 ALA HB . 27313 1 1006 . 1 1 99 99 ALA CA C 13 55.049 0.006 . 1 . . . . . 120 ALA CA . 27313 1 1007 . 1 1 99 99 ALA CB C 13 16.613 0.008 . 1 . . . . . 120 ALA CB . 27313 1 1008 . 1 1 99 99 ALA N N 15 124.514 0.023 . 1 . . . . . 120 ALA N . 27313 1 1009 . 1 1 100 100 ARG H H 1 7.612 0.002 . 1 . . . . . 121 ARG H . 27313 1 1010 . 1 1 100 100 ARG HA H 1 3.498 0.004 . 1 . . . . . 121 ARG HA . 27313 1 1011 . 1 1 100 100 ARG HB2 H 1 1.210 0.007 . 2 . . . . . 121 ARG HB2 . 27313 1 1012 . 1 1 100 100 ARG HB3 H 1 0.629 0.004 . 2 . . . . . 121 ARG HB3 . 27313 1 1013 . 1 1 100 100 ARG HG2 H 1 1.880 0.002 . 2 . . . . . 121 ARG HG2 . 27313 1 1014 . 1 1 100 100 ARG HG3 H 1 1.230 0.011 . 2 . . . . . 121 ARG HG3 . 27313 1 1015 . 1 1 100 100 ARG HD2 H 1 2.644 0.002 . 2 . . . . . 121 ARG HD2 . 27313 1 1016 . 1 1 100 100 ARG HD3 H 1 2.561 0.001 . 2 . . . . . 121 ARG HD3 . 27313 1 1017 . 1 1 100 100 ARG HE H 1 7.802 0.004 . 1 . . . . . 121 ARG HE . 27313 1 1018 . 1 1 100 100 ARG CA C 13 59.121 0.028 . 1 . . . . . 121 ARG CA . 27313 1 1019 . 1 1 100 100 ARG CB C 13 30.412 0.074 . 1 . . . . . 121 ARG CB . 27313 1 1020 . 1 1 100 100 ARG CG C 13 28.484 0.054 . 1 . . . . . 121 ARG CG . 27313 1 1021 . 1 1 100 100 ARG CD C 13 45.029 0.052 . 1 . . . . . 121 ARG CD . 27313 1 1022 . 1 1 100 100 ARG N N 15 115.640 0.018 . 1 . . . . . 121 ARG N . 27313 1 1023 . 1 1 100 100 ARG NE N 15 85.714 0.040 . 1 . . . . . 121 ARG NE . 27313 1 1024 . 1 1 101 101 LEU H H 1 8.278 0.000 . 1 . . . . . 122 LEU H . 27313 1 1025 . 1 1 101 101 LEU HA H 1 3.617 0.008 . 1 . . . . . 122 LEU HA . 27313 1 1026 . 1 1 101 101 LEU HB2 H 1 2.290 0.011 . 2 . . . . . 122 LEU HB2 . 27313 1 1027 . 1 1 101 101 LEU HB3 H 1 1.395 0.004 . 2 . . . . . 122 LEU HB3 . 27313 1 1028 . 1 1 101 101 LEU HG H 1 1.453 0.001 . 1 . . . . . 122 LEU HG . 27313 1 1029 . 1 1 101 101 LEU HD11 H 1 0.874 0.000 . 2 . . . . . 122 LEU QD1 . 27313 1 1030 . 1 1 101 101 LEU HD12 H 1 0.874 0.000 . 2 . . . . . 122 LEU QD1 . 27313 1 1031 . 1 1 101 101 LEU HD13 H 1 0.874 0.000 . 2 . . . . . 122 LEU QD1 . 27313 1 1032 . 1 1 101 101 LEU HD21 H 1 0.909 0.003 . 2 . . . . . 122 LEU QD2 . 27313 1 1033 . 1 1 101 101 LEU HD22 H 1 0.909 0.003 . 2 . . . . . 122 LEU QD2 . 27313 1 1034 . 1 1 101 101 LEU HD23 H 1 0.909 0.003 . 2 . . . . . 122 LEU QD2 . 27313 1 1035 . 1 1 101 101 LEU CA C 13 58.788 0.021 . 1 . . . . . 122 LEU CA . 27313 1 1036 . 1 1 101 101 LEU CB C 13 42.101 0.036 . 1 . . . . . 122 LEU CB . 27313 1 1037 . 1 1 101 101 LEU CG C 13 27.505 0.006 . 1 . . . . . 122 LEU CG . 27313 1 1038 . 1 1 101 101 LEU CD1 C 13 25.625 0.058 . 2 . . . . . 122 LEU CD1 . 27313 1 1039 . 1 1 101 101 LEU CD2 C 13 25.790 0.003 . 2 . . . . . 122 LEU CD2 . 27313 1 1040 . 1 1 101 101 LEU N N 15 123.668 0.000 . 1 . . . . . 122 LEU N . 27313 1 1041 . 1 1 102 102 LEU H H 1 7.083 0.001 . 1 . . . . . 123 LEU H . 27313 1 1042 . 1 1 102 102 LEU HA H 1 3.786 0.001 . 1 . . . . . 123 LEU HA . 27313 1 1043 . 1 1 102 102 LEU HB2 H 1 1.744 0.002 . 2 . . . . . 123 LEU HB2 . 27313 1 1044 . 1 1 102 102 LEU HB3 H 1 1.546 0.004 . 2 . . . . . 123 LEU HB3 . 27313 1 1045 . 1 1 102 102 LEU HG H 1 1.885 0.000 . 1 . . . . . 123 LEU HG . 27313 1 1046 . 1 1 102 102 LEU HD11 H 1 0.958 0.001 . 2 . . . . . 123 LEU QD1 . 27313 1 1047 . 1 1 102 102 LEU HD12 H 1 0.958 0.001 . 2 . . . . . 123 LEU QD1 . 27313 1 1048 . 1 1 102 102 LEU HD13 H 1 0.958 0.001 . 2 . . . . . 123 LEU QD1 . 27313 1 1049 . 1 1 102 102 LEU HD21 H 1 0.828 0.002 . 2 . . . . . 123 LEU QD2 . 27313 1 1050 . 1 1 102 102 LEU HD22 H 1 0.828 0.002 . 2 . . . . . 123 LEU QD2 . 27313 1 1051 . 1 1 102 102 LEU HD23 H 1 0.828 0.002 . 2 . . . . . 123 LEU QD2 . 27313 1 1052 . 1 1 102 102 LEU CA C 13 56.558 0.045 . 1 . . . . . 123 LEU CA . 27313 1 1053 . 1 1 102 102 LEU CB C 13 41.795 0.038 . 1 . . . . . 123 LEU CB . 27313 1 1054 . 1 1 102 102 LEU CG C 13 26.878 0.025 . 1 . . . . . 123 LEU CG . 27313 1 1055 . 1 1 102 102 LEU CD1 C 13 25.761 0.036 . 2 . . . . . 123 LEU CD1 . 27313 1 1056 . 1 1 102 102 LEU CD2 C 13 22.491 0.067 . 2 . . . . . 123 LEU CD2 . 27313 1 1057 . 1 1 102 102 LEU N N 15 114.131 0.004 . 1 . . . . . 123 LEU N . 27313 1 1058 . 1 1 103 103 VAL H H 1 7.136 0.002 . 1 . . . . . 124 VAL H . 27313 1 1059 . 1 1 103 103 VAL HA H 1 3.416 0.004 . 1 . . . . . 124 VAL HA . 27313 1 1060 . 1 1 103 103 VAL HB H 1 1.763 0.003 . 1 . . . . . 124 VAL HB . 27313 1 1061 . 1 1 103 103 VAL HG11 H 1 0.895 0.001 . 2 . . . . . 124 VAL QG1 . 27313 1 1062 . 1 1 103 103 VAL HG12 H 1 0.895 0.001 . 2 . . . . . 124 VAL QG1 . 27313 1 1063 . 1 1 103 103 VAL HG13 H 1 0.895 0.001 . 2 . . . . . 124 VAL QG1 . 27313 1 1064 . 1 1 103 103 VAL HG21 H 1 1.126 0.000 . 2 . . . . . 124 VAL QG2 . 27313 1 1065 . 1 1 103 103 VAL HG22 H 1 1.126 0.000 . 2 . . . . . 124 VAL QG2 . 27313 1 1066 . 1 1 103 103 VAL HG23 H 1 1.126 0.000 . 2 . . . . . 124 VAL QG2 . 27313 1 1067 . 1 1 103 103 VAL CA C 13 66.273 0.032 . 1 . . . . . 124 VAL CA . 27313 1 1068 . 1 1 103 103 VAL CB C 13 33.299 0.013 . 1 . . . . . 124 VAL CB . 27313 1 1069 . 1 1 103 103 VAL CG1 C 13 20.607 0.009 . 1 . . . . . 124 VAL CG1 . 27313 1 1070 . 1 1 103 103 VAL CG2 C 13 23.361 0.045 . 1 . . . . . 124 VAL CG2 . 27313 1 1071 . 1 1 103 103 VAL N N 15 119.121 0.008 . 1 . . . . . 124 VAL N . 27313 1 1072 . 1 1 104 104 ASN H H 1 6.991 0.003 . 1 . . . . . 125 ASN H . 27313 1 1073 . 1 1 104 104 ASN HA H 1 4.702 0.001 . 1 . . . . . 125 ASN HA . 27313 1 1074 . 1 1 104 104 ASN HB2 H 1 2.914 0.004 . 2 . . . . . 125 ASN QB . 27313 1 1075 . 1 1 104 104 ASN HB3 H 1 2.914 0.004 . 2 . . . . . 125 ASN QB . 27313 1 1076 . 1 1 104 104 ASN HD21 H 1 7.457 0.007 . 2 . . . . . 125 ASN HD21 . 27313 1 1077 . 1 1 104 104 ASN HD22 H 1 6.845 0.003 . 2 . . . . . 125 ASN HD22 . 27313 1 1078 . 1 1 104 104 ASN CA C 13 52.031 0.010 . 1 . . . . . 125 ASN CA . 27313 1 1079 . 1 1 104 104 ASN CB C 13 37.648 0.054 . 1 . . . . . 125 ASN CB . 27313 1 1080 . 1 1 104 104 ASN N N 15 107.792 0.005 . 1 . . . . . 125 ASN N . 27313 1 1081 . 1 1 104 104 ASN ND2 N 15 111.883 0.044 . 1 . . . . . 125 ASN ND2 . 27313 1 1082 . 1 1 105 105 PRO HA H 1 4.305 0.001 . 1 . . . . . 126 PRO HA . 27313 1 1083 . 1 1 105 105 PRO HB2 H 1 2.039 0.000 . 2 . . . . . 126 PRO HB2 . 27313 1 1084 . 1 1 105 105 PRO HB3 H 1 2.257 0.000 . 2 . . . . . 126 PRO HB3 . 27313 1 1085 . 1 1 105 105 PRO HG2 H 1 1.999 0.000 . 2 . . . . . 126 PRO HG2 . 27313 1 1086 . 1 1 105 105 PRO HG3 H 1 2.225 0.003 . 2 . . . . . 126 PRO HG3 . 27313 1 1087 . 1 1 105 105 PRO HD2 H 1 3.631 0.000 . 2 . . . . . 126 PRO HD2 . 27313 1 1088 . 1 1 105 105 PRO HD3 H 1 3.904 0.008 . 2 . . . . . 126 PRO HD3 . 27313 1 1089 . 1 1 105 105 PRO CA C 13 65.796 0.027 . 1 . . . . . 126 PRO CA . 27313 1 1090 . 1 1 105 105 PRO CB C 13 32.354 0.050 . 1 . . . . . 126 PRO CB . 27313 1 1091 . 1 1 105 105 PRO CG C 13 27.957 0.040 . 1 . . . . . 126 PRO CG . 27313 1 1092 . 1 1 105 105 PRO CD C 13 50.173 0.046 . 1 . . . . . 126 PRO CD . 27313 1 1093 . 1 1 106 106 GLN H H 1 8.230 0.003 . 1 . . . . . 127 GLN H . 27313 1 1094 . 1 1 106 106 GLN HA H 1 4.183 0.001 . 1 . . . . . 127 GLN HA . 27313 1 1095 . 1 1 106 106 GLN HB2 H 1 2.252 0.001 . 2 . . . . . 127 GLN HB2 . 27313 1 1096 . 1 1 106 106 GLN HB3 H 1 2.157 0.000 . 2 . . . . . 127 GLN HB3 . 27313 1 1097 . 1 1 106 106 GLN HG2 H 1 2.484 0.002 . 2 . . . . . 127 GLN QG . 27313 1 1098 . 1 1 106 106 GLN HG3 H 1 2.484 0.002 . 2 . . . . . 127 GLN QG . 27313 1 1099 . 1 1 106 106 GLN HE21 H 1 6.823 0.005 . 2 . . . . . 127 GLN HE21 . 27313 1 1100 . 1 1 106 106 GLN HE22 H 1 7.545 0.005 . 2 . . . . . 127 GLN HE22 . 27313 1 1101 . 1 1 106 106 GLN CA C 13 59.319 0.022 . 1 . . . . . 127 GLN CA . 27313 1 1102 . 1 1 106 106 GLN CB C 13 28.479 0.028 . 1 . . . . . 127 GLN CB . 27313 1 1103 . 1 1 106 106 GLN CG C 13 34.449 0.020 . 1 . . . . . 127 GLN CG . 27313 1 1104 . 1 1 106 106 GLN N N 15 114.866 0.003 . 1 . . . . . 127 GLN N . 27313 1 1105 . 1 1 106 106 GLN NE2 N 15 112.041 0.026 . 1 . . . . . 127 GLN NE2 . 27313 1 1106 . 1 1 107 107 GLU H H 1 7.217 0.001 . 1 . . . . . 128 GLU H . 27313 1 1107 . 1 1 107 107 GLU HA H 1 4.462 0.001 . 1 . . . . . 128 GLU HA . 27313 1 1108 . 1 1 107 107 GLU HB2 H 1 1.853 0.002 . 2 . . . . . 128 GLU HB2 . 27313 1 1109 . 1 1 107 107 GLU HB3 H 1 2.169 0.000 . 2 . . . . . 128 GLU HB3 . 27313 1 1110 . 1 1 107 107 GLU HG2 H 1 2.224 0.001 . 2 . . . . . 128 GLU HG2 . 27313 1 1111 . 1 1 107 107 GLU HG3 H 1 2.349 0.000 . 2 . . . . . 128 GLU HG3 . 27313 1 1112 . 1 1 107 107 GLU CA C 13 57.338 0.010 . 1 . . . . . 128 GLU CA . 27313 1 1113 . 1 1 107 107 GLU CB C 13 31.807 0.033 . 1 . . . . . 128 GLU CB . 27313 1 1114 . 1 1 107 107 GLU CG C 13 36.859 0.037 . 1 . . . . . 128 GLU CG . 27313 1 1115 . 1 1 107 107 GLU N N 15 115.346 0.006 . 1 . . . . . 128 GLU N . 27313 1 1116 . 1 1 108 108 ARG H H 1 8.146 0.002 . 1 . . . . . 129 ARG H . 27313 1 1117 . 1 1 108 108 ARG HA H 1 4.661 0.005 . 1 . . . . . 129 ARG HA . 27313 1 1118 . 1 1 108 108 ARG HB2 H 1 2.181 0.001 . 2 . . . . . 129 ARG HB2 . 27313 1 1119 . 1 1 108 108 ARG HB3 H 1 2.143 0.000 . 2 . . . . . 129 ARG HB3 . 27313 1 1120 . 1 1 108 108 ARG HG2 H 1 2.043 0.000 . 2 . . . . . 129 ARG HG2 . 27313 1 1121 . 1 1 108 108 ARG HG3 H 1 1.767 0.003 . 2 . . . . . 129 ARG HG3 . 27313 1 1122 . 1 1 108 108 ARG HD2 H 1 2.986 0.000 . 2 . . . . . 129 ARG QD . 27313 1 1123 . 1 1 108 108 ARG HD3 H 1 2.986 0.000 . 2 . . . . . 129 ARG QD . 27313 1 1124 . 1 1 108 108 ARG CA C 13 57.278 0.056 . 1 . . . . . 129 ARG CA . 27313 1 1125 . 1 1 108 108 ARG CB C 13 32.873 0.106 . 1 . . . . . 129 ARG CB . 27313 1 1126 . 1 1 108 108 ARG CG C 13 29.526 0.053 . 1 . . . . . 129 ARG CG . 27313 1 1127 . 1 1 108 108 ARG CD C 13 45.009 0.019 . 1 . . . . . 129 ARG CD . 27313 1 1128 . 1 1 108 108 ARG N N 15 115.119 0.009 . 1 . . . . . 129 ARG N . 27313 1 1129 . 1 1 109 109 TRP H H 1 8.056 0.006 . 1 . . . . . 130 TRP H . 27313 1 1130 . 1 1 109 109 TRP HA H 1 4.127 0.002 . 1 . . . . . 130 TRP HA . 27313 1 1131 . 1 1 109 109 TRP HB2 H 1 3.252 0.005 . 2 . . . . . 130 TRP HB2 . 27313 1 1132 . 1 1 109 109 TRP HB3 H 1 3.586 0.009 . 2 . . . . . 130 TRP HB3 . 27313 1 1133 . 1 1 109 109 TRP HD1 H 1 7.243 0.004 . 1 . . . . . 130 TRP HD1 . 27313 1 1134 . 1 1 109 109 TRP HE1 H 1 9.848 0.007 . 1 . . . . . 130 TRP HE1 . 27313 1 1135 . 1 1 109 109 TRP HE3 H 1 7.447 0.001 . 1 . . . . . 130 TRP HE3 . 27313 1 1136 . 1 1 109 109 TRP HZ2 H 1 7.356 0.006 . 1 . . . . . 130 TRP HZ2 . 27313 1 1137 . 1 1 109 109 TRP HZ3 H 1 7.068 0.001 . 1 . . . . . 130 TRP HZ3 . 27313 1 1138 . 1 1 109 109 TRP HH2 H 1 7.166 0.001 . 1 . . . . . 130 TRP HH2 . 27313 1 1139 . 1 1 109 109 TRP CA C 13 61.649 0.017 . 1 . . . . . 130 TRP CA . 27313 1 1140 . 1 1 109 109 TRP CB C 13 28.481 0.021 . 1 . . . . . 130 TRP CB . 27313 1 1141 . 1 1 109 109 TRP CD1 C 13 127.410 0.000 . 1 . . . . . 130 TRP CD1 . 27313 1 1142 . 1 1 109 109 TRP CE3 C 13 120.660 0.048 . 1 . . . . . 130 TRP CE3 . 27313 1 1143 . 1 1 109 109 TRP CZ2 C 13 114.635 0.000 . 1 . . . . . 130 TRP CZ2 . 27313 1 1144 . 1 1 109 109 TRP CZ3 C 13 122.067 0.032 . 1 . . . . . 130 TRP CZ3 . 27313 1 1145 . 1 1 109 109 TRP CH2 C 13 124.882 0.020 . 1 . . . . . 130 TRP CH2 . 27313 1 1146 . 1 1 109 109 TRP N N 15 124.133 0.000 . 1 . . . . . 130 TRP N . 27313 1 1147 . 1 1 109 109 TRP NE1 N 15 129.356 0.038 . 1 . . . . . 130 TRP NE1 . 27313 1 1148 . 1 1 110 110 GLN H H 1 8.220 0.003 . 1 . . . . . 131 GLN H . 27313 1 1149 . 1 1 110 110 GLN HA H 1 3.790 0.004 . 1 . . . . . 131 GLN HA . 27313 1 1150 . 1 1 110 110 GLN HB2 H 1 1.872 0.004 . 2 . . . . . 131 GLN HB2 . 27313 1 1151 . 1 1 110 110 GLN HB3 H 1 1.759 0.006 . 2 . . . . . 131 GLN HB3 . 27313 1 1152 . 1 1 110 110 GLN HG2 H 1 2.058 0.004 . 2 . . . . . 131 GLN HG2 . 27313 1 1153 . 1 1 110 110 GLN HG3 H 1 1.996 0.007 . 2 . . . . . 131 GLN HG3 . 27313 1 1154 . 1 1 110 110 GLN HE21 H 1 7.303 0.004 . 2 . . . . . 131 GLN HE21 . 27313 1 1155 . 1 1 110 110 GLN HE22 H 1 6.760 0.001 . 2 . . . . . 131 GLN HE22 . 27313 1 1156 . 1 1 110 110 GLN CA C 13 58.227 0.013 . 1 . . . . . 131 GLN CA . 27313 1 1157 . 1 1 110 110 GLN CB C 13 28.358 0.040 . 1 . . . . . 131 GLN CB . 27313 1 1158 . 1 1 110 110 GLN CG C 13 33.809 0.034 . 1 . . . . . 131 GLN CG . 27313 1 1159 . 1 1 110 110 GLN N N 15 116.273 0.011 . 1 . . . . . 131 GLN N . 27313 1 1160 . 1 1 110 110 GLN NE2 N 15 111.678 0.036 . 1 . . . . . 131 GLN NE2 . 27313 1 1161 . 1 1 111 111 THR H H 1 7.388 0.003 . 1 . . . . . 132 THR H . 27313 1 1162 . 1 1 111 111 THR HA H 1 4.097 0.003 . 1 . . . . . 132 THR HA . 27313 1 1163 . 1 1 111 111 THR HB H 1 3.676 0.005 . 1 . . . . . 132 THR HB . 27313 1 1164 . 1 1 111 111 THR HG21 H 1 0.776 0.002 . 1 . . . . . 132 THR QG2 . 27313 1 1165 . 1 1 111 111 THR HG22 H 1 0.776 0.002 . 1 . . . . . 132 THR QG2 . 27313 1 1166 . 1 1 111 111 THR HG23 H 1 0.776 0.002 . 1 . . . . . 132 THR QG2 . 27313 1 1167 . 1 1 111 111 THR CA C 13 61.664 0.049 . 1 . . . . . 132 THR CA . 27313 1 1168 . 1 1 111 111 THR CB C 13 68.486 0.021 . 1 . . . . . 132 THR CB . 27313 1 1169 . 1 1 111 111 THR CG2 C 13 21.734 0.038 . 1 . . . . . 132 THR CG2 . 27313 1 1170 . 1 1 111 111 THR N N 15 109.716 0.020 . 1 . . . . . 132 THR N . 27313 1 1171 . 1 1 112 112 TYR H H 1 8.416 0.004 . 1 . . . . . 133 TYR H . 27313 1 1172 . 1 1 112 112 TYR HA H 1 4.237 0.000 . 1 . . . . . 133 TYR HA . 27313 1 1173 . 1 1 112 112 TYR HB2 H 1 3.548 0.005 . 2 . . . . . 133 TYR HB2 . 27313 1 1174 . 1 1 112 112 TYR HB3 H 1 2.405 0.005 . 2 . . . . . 133 TYR HB3 . 27313 1 1175 . 1 1 112 112 TYR HD1 H 1 7.018 0.002 . 3 . . . . . 133 TYR QD . 27313 1 1176 . 1 1 112 112 TYR HD2 H 1 7.018 0.002 . 3 . . . . . 133 TYR QD . 27313 1 1177 . 1 1 112 112 TYR HE1 H 1 6.775 0.000 . 3 . . . . . 133 TYR QE . 27313 1 1178 . 1 1 112 112 TYR HE2 H 1 6.775 0.000 . 3 . . . . . 133 TYR QE . 27313 1 1179 . 1 1 112 112 TYR CA C 13 62.051 0.032 . 1 . . . . . 133 TYR CA . 27313 1 1180 . 1 1 112 112 TYR CB C 13 38.579 0.069 . 1 . . . . . 133 TYR CB . 27313 1 1181 . 1 1 112 112 TYR CD1 C 13 132.123 0.017 . 1 . . . . . 133 TYR CD1 . 27313 1 1182 . 1 1 112 112 TYR CE1 C 13 118.722 0.009 . 1 . . . . . 133 TYR CE1 . 27313 1 1183 . 1 1 112 112 TYR N N 15 121.655 0.000 . 1 . . . . . 133 TYR N . 27313 1 1184 . 1 1 113 113 GLY H H 1 8.245 0.002 . 1 . . . . . 134 GLY H . 27313 1 1185 . 1 1 113 113 GLY HA2 H 1 3.529 0.012 . 2 . . . . . 134 GLY HA2 . 27313 1 1186 . 1 1 113 113 GLY CA C 13 47.759 0.020 . 1 . . . . . 134 GLY CA . 27313 1 1187 . 1 1 113 113 GLY N N 15 109.228 0.008 . 1 . . . . . 134 GLY N . 27313 1 1188 . 1 1 114 114 ALA H H 1 6.748 0.003 . 1 . . . . . 135 ALA H . 27313 1 1189 . 1 1 114 114 ALA HA H 1 4.039 0.000 . 1 . . . . . 135 ALA HA . 27313 1 1190 . 1 1 114 114 ALA HB1 H 1 1.290 0.001 . 1 . . . . . 135 ALA HB . 27313 1 1191 . 1 1 114 114 ALA HB2 H 1 1.290 0.001 . 1 . . . . . 135 ALA HB . 27313 1 1192 . 1 1 114 114 ALA HB3 H 1 1.290 0.001 . 1 . . . . . 135 ALA HB . 27313 1 1193 . 1 1 114 114 ALA CA C 13 54.567 0.018 . 1 . . . . . 135 ALA CA . 27313 1 1194 . 1 1 114 114 ALA CB C 13 18.026 0.001 . 1 . . . . . 135 ALA CB . 27313 1 1195 . 1 1 114 114 ALA N N 15 124.160 0.006 . 1 . . . . . 135 ALA N . 27313 1 1196 . 1 1 115 115 GLU H H 1 7.647 0.001 . 1 . . . . . 136 GLU H . 27313 1 1197 . 1 1 115 115 GLU HA H 1 4.303 0.003 . 1 . . . . . 136 GLU HA . 27313 1 1198 . 1 1 115 115 GLU HB2 H 1 2.071 0.005 . 2 . . . . . 136 GLU HB2 . 27313 1 1199 . 1 1 115 115 GLU HB3 H 1 1.832 0.000 . 2 . . . . . 136 GLU HB3 . 27313 1 1200 . 1 1 115 115 GLU HG2 H 1 2.070 0.000 . 2 . . . . . 136 GLU HG2 . 27313 1 1201 . 1 1 115 115 GLU HG3 H 1 2.471 0.000 . 2 . . . . . 136 GLU HG3 . 27313 1 1202 . 1 1 115 115 GLU CA C 13 58.394 0.036 . 1 . . . . . 136 GLU CA . 27313 1 1203 . 1 1 115 115 GLU CB C 13 29.139 0.041 . 1 . . . . . 136 GLU CB . 27313 1 1204 . 1 1 115 115 GLU CG C 13 34.560 0.026 . 1 . . . . . 136 GLU CG . 27313 1 1205 . 1 1 115 115 GLU N N 15 119.712 0.005 . 1 . . . . . 136 GLU N . 27313 1 1206 . 1 1 116 116 SER H H 1 8.178 0.003 . 1 . . . . . 137 SER H . 27313 1 1207 . 1 1 116 116 SER HA H 1 4.032 0.000 . 1 . . . . . 137 SER HA . 27313 1 1208 . 1 1 116 116 SER N N 15 113.657 0.001 . 1 . . . . . 137 SER N . 27313 1 1209 . 1 1 117 117 SER H H 1 7.427 0.003 . 1 . . . . . 138 SER H . 27313 1 1210 . 1 1 117 117 SER HA H 1 4.229 0.004 . 1 . . . . . 138 SER HA . 27313 1 1211 . 1 1 117 117 SER HB2 H 1 3.909 0.001 . 2 . . . . . 138 SER QB . 27313 1 1212 . 1 1 117 117 SER HB3 H 1 3.909 0.001 . 2 . . . . . 138 SER QB . 27313 1 1213 . 1 1 117 117 SER CA C 13 61.511 0.030 . 1 . . . . . 138 SER CA . 27313 1 1214 . 1 1 117 117 SER CB C 13 62.737 0.085 . 1 . . . . . 138 SER CB . 27313 1 1215 . 1 1 117 117 SER N N 15 115.164 0.007 . 1 . . . . . 138 SER N . 27313 1 1216 . 1 1 118 118 ARG H H 1 8.357 0.004 . 1 . . . . . 139 ARG H . 27313 1 1217 . 1 1 118 118 ARG HA H 1 4.028 0.002 . 1 . . . . . 139 ARG HA . 27313 1 1218 . 1 1 118 118 ARG HB2 H 1 1.898 0.010 . 2 . . . . . 139 ARG HB2 . 27313 1 1219 . 1 1 118 118 ARG HB3 H 1 1.864 0.000 . 2 . . . . . 139 ARG HB3 . 27313 1 1220 . 1 1 118 118 ARG HG2 H 1 1.643 0.002 . 2 . . . . . 139 ARG HG2 . 27313 1 1221 . 1 1 118 118 ARG HG3 H 1 1.438 0.000 . 2 . . . . . 139 ARG HG3 . 27313 1 1222 . 1 1 118 118 ARG HD2 H 1 3.195 0.000 . 2 . . . . . 139 ARG HD2 . 27313 1 1223 . 1 1 118 118 ARG HD3 H 1 3.085 0.002 . 2 . . . . . 139 ARG HD3 . 27313 1 1224 . 1 1 118 118 ARG CA C 13 59.730 0.043 . 1 . . . . . 139 ARG CA . 27313 1 1225 . 1 1 118 118 ARG CB C 13 30.726 0.025 . 1 . . . . . 139 ARG CB . 27313 1 1226 . 1 1 118 118 ARG CG C 13 28.113 0.031 . 1 . . . . . 139 ARG CG . 27313 1 1227 . 1 1 118 118 ARG CD C 13 43.276 0.039 . 1 . . . . . 139 ARG CD . 27313 1 1228 . 1 1 118 118 ARG N N 15 125.216 0.004 . 1 . . . . . 139 ARG N . 27313 1 1229 . 1 1 119 119 GLN H H 1 8.202 0.002 . 1 . . . . . 140 GLN H . 27313 1 1230 . 1 1 119 119 GLN HA H 1 3.992 0.000 . 1 . . . . . 140 GLN HA . 27313 1 1231 . 1 1 119 119 GLN HB2 H 1 1.596 0.001 . 2 . . . . . 140 GLN QB . 27313 1 1232 . 1 1 119 119 GLN HB3 H 1 1.596 0.001 . 2 . . . . . 140 GLN QB . 27313 1 1233 . 1 1 119 119 GLN HG2 H 1 2.623 0.007 . 2 . . . . . 140 GLN HG2 . 27313 1 1234 . 1 1 119 119 GLN HG3 H 1 1.896 0.007 . 2 . . . . . 140 GLN HG3 . 27313 1 1235 . 1 1 119 119 GLN HE21 H 1 7.499 0.004 . 2 . . . . . 140 GLN HE21 . 27313 1 1236 . 1 1 119 119 GLN HE22 H 1 6.416 0.005 . 2 . . . . . 140 GLN HE22 . 27313 1 1237 . 1 1 119 119 GLN CA C 13 58.122 0.038 . 1 . . . . . 140 GLN CA . 27313 1 1238 . 1 1 119 119 GLN CB C 13 27.249 0.026 . 1 . . . . . 140 GLN CB . 27313 1 1239 . 1 1 119 119 GLN CG C 13 33.125 0.053 . 1 . . . . . 140 GLN CG . 27313 1 1240 . 1 1 119 119 GLN N N 15 116.563 0.008 . 1 . . . . . 140 GLN N . 27313 1 1241 . 1 1 119 119 GLN NE2 N 15 109.587 0.072 . 1 . . . . . 140 GLN NE2 . 27313 1 1242 . 1 1 120 120 LEU H H 1 7.405 0.000 . 1 . . . . . 141 LEU H . 27313 1 1243 . 1 1 120 120 LEU HA H 1 4.069 0.000 . 1 . . . . . 141 LEU HA . 27313 1 1244 . 1 1 120 120 LEU HB2 H 1 1.829 0.002 . 2 . . . . . 141 LEU HB2 . 27313 1 1245 . 1 1 120 120 LEU HB3 H 1 1.303 0.002 . 2 . . . . . 141 LEU HB3 . 27313 1 1246 . 1 1 120 120 LEU HG H 1 1.837 0.005 . 1 . . . . . 141 LEU HG . 27313 1 1247 . 1 1 120 120 LEU HD11 H 1 0.706 0.000 . 2 . . . . . 141 LEU QD1 . 27313 1 1248 . 1 1 120 120 LEU HD12 H 1 0.706 0.000 . 2 . . . . . 141 LEU QD1 . 27313 1 1249 . 1 1 120 120 LEU HD13 H 1 0.706 0.000 . 2 . . . . . 141 LEU QD1 . 27313 1 1250 . 1 1 120 120 LEU HD21 H 1 0.853 0.002 . 2 . . . . . 141 LEU QD2 . 27313 1 1251 . 1 1 120 120 LEU HD22 H 1 0.853 0.002 . 2 . . . . . 141 LEU QD2 . 27313 1 1252 . 1 1 120 120 LEU HD23 H 1 0.853 0.002 . 2 . . . . . 141 LEU QD2 . 27313 1 1253 . 1 1 120 120 LEU CA C 13 57.713 0.025 . 1 . . . . . 141 LEU CA . 27313 1 1254 . 1 1 120 120 LEU CB C 13 41.112 0.056 . 1 . . . . . 141 LEU CB . 27313 1 1255 . 1 1 120 120 LEU CG C 13 26.817 0.077 . 1 . . . . . 141 LEU CG . 27313 1 1256 . 1 1 120 120 LEU CD1 C 13 24.886 0.119 . 1 . . . . . 141 LEU CD1 . 27313 1 1257 . 1 1 120 120 LEU CD2 C 13 23.772 0.023 . 1 . . . . . 141 LEU CD2 . 27313 1 1258 . 1 1 120 120 LEU N N 15 119.160 0.035 . 1 . . . . . 141 LEU N . 27313 1 1259 . 1 1 121 121 ALA H H 1 7.521 0.002 . 1 . . . . . 142 ALA H . 27313 1 1260 . 1 1 121 121 ALA HA H 1 4.049 0.000 . 1 . . . . . 142 ALA HA . 27313 1 1261 . 1 1 121 121 ALA HB1 H 1 1.472 0.000 . 1 . . . . . 142 ALA HB . 27313 1 1262 . 1 1 121 121 ALA HB2 H 1 1.472 0.000 . 1 . . . . . 142 ALA HB . 27313 1 1263 . 1 1 121 121 ALA HB3 H 1 1.472 0.000 . 1 . . . . . 142 ALA HB . 27313 1 1264 . 1 1 121 121 ALA CA C 13 55.378 0.000 . 1 . . . . . 142 ALA CA . 27313 1 1265 . 1 1 121 121 ALA CB C 13 17.283 0.000 . 1 . . . . . 142 ALA CB . 27313 1 1266 . 1 1 121 121 ALA N N 15 121.751 0.021 . 1 . . . . . 142 ALA N . 27313 1 1267 . 1 1 122 122 VAL H H 1 7.791 0.003 . 1 . . . . . 143 VAL H . 27313 1 1268 . 1 1 122 122 VAL HA H 1 3.558 0.002 . 1 . . . . . 143 VAL HA . 27313 1 1269 . 1 1 122 122 VAL HB H 1 2.261 0.001 . 1 . . . . . 143 VAL HB . 27313 1 1270 . 1 1 122 122 VAL HG11 H 1 0.826 0.000 . 2 . . . . . 143 VAL QG1 . 27313 1 1271 . 1 1 122 122 VAL HG12 H 1 0.826 0.000 . 2 . . . . . 143 VAL QG1 . 27313 1 1272 . 1 1 122 122 VAL HG13 H 1 0.826 0.000 . 2 . . . . . 143 VAL QG1 . 27313 1 1273 . 1 1 122 122 VAL HG21 H 1 0.966 0.000 . 2 . . . . . 143 VAL QG2 . 27313 1 1274 . 1 1 122 122 VAL HG22 H 1 0.966 0.000 . 2 . . . . . 143 VAL QG2 . 27313 1 1275 . 1 1 122 122 VAL HG23 H 1 0.966 0.000 . 2 . . . . . 143 VAL QG2 . 27313 1 1276 . 1 1 122 122 VAL CA C 13 66.256 0.023 . 1 . . . . . 143 VAL CA . 27313 1 1277 . 1 1 122 122 VAL CB C 13 31.375 0.068 . 1 . . . . . 143 VAL CB . 27313 1 1278 . 1 1 122 122 VAL CG1 C 13 21.125 0.060 . 1 . . . . . 143 VAL CG1 . 27313 1 1279 . 1 1 122 122 VAL CG2 C 13 22.228 0.012 . 1 . . . . . 143 VAL CG2 . 27313 1 1280 . 1 1 122 122 VAL N N 15 119.910 0.016 . 1 . . . . . 143 VAL N . 27313 1 1281 . 1 1 123 123 ALA H H 1 8.372 0.003 . 1 . . . . . 144 ALA H . 27313 1 1282 . 1 1 123 123 ALA HA H 1 3.915 0.000 . 1 . . . . . 144 ALA HA . 27313 1 1283 . 1 1 123 123 ALA HB1 H 1 1.603 0.005 . 1 . . . . . 144 ALA HB . 27313 1 1284 . 1 1 123 123 ALA HB2 H 1 1.603 0.005 . 1 . . . . . 144 ALA HB . 27313 1 1285 . 1 1 123 123 ALA HB3 H 1 1.603 0.005 . 1 . . . . . 144 ALA HB . 27313 1 1286 . 1 1 123 123 ALA CA C 13 56.041 0.006 . 1 . . . . . 144 ALA CA . 27313 1 1287 . 1 1 123 123 ALA CB C 13 20.049 0.017 . 1 . . . . . 144 ALA CB . 27313 1 1288 . 1 1 123 123 ALA N N 15 122.346 0.003 . 1 . . . . . 144 ALA N . 27313 1 1289 . 1 1 124 124 LEU H H 1 8.148 0.002 . 1 . . . . . 145 LEU H . 27313 1 1290 . 1 1 124 124 LEU HA H 1 3.760 0.000 . 1 . . . . . 145 LEU HA . 27313 1 1291 . 1 1 124 124 LEU HB2 H 1 1.694 0.003 . 2 . . . . . 145 LEU HB2 . 27313 1 1292 . 1 1 124 124 LEU HB3 H 1 1.240 0.001 . 2 . . . . . 145 LEU HB3 . 27313 1 1293 . 1 1 124 124 LEU HG H 1 1.289 0.001 . 1 . . . . . 145 LEU HG . 27313 1 1294 . 1 1 124 124 LEU HD11 H 1 0.554 0.000 . 2 . . . . . 145 LEU QD1 . 27313 1 1295 . 1 1 124 124 LEU HD12 H 1 0.554 0.000 . 2 . . . . . 145 LEU QD1 . 27313 1 1296 . 1 1 124 124 LEU HD13 H 1 0.554 0.000 . 2 . . . . . 145 LEU QD1 . 27313 1 1297 . 1 1 124 124 LEU HD21 H 1 0.092 0.000 . 2 . . . . . 145 LEU QD2 . 27313 1 1298 . 1 1 124 124 LEU HD22 H 1 0.092 0.000 . 2 . . . . . 145 LEU QD2 . 27313 1 1299 . 1 1 124 124 LEU HD23 H 1 0.092 0.000 . 2 . . . . . 145 LEU QD2 . 27313 1 1300 . 1 1 124 124 LEU CA C 13 56.998 0.009 . 1 . . . . . 145 LEU CA . 27313 1 1301 . 1 1 124 124 LEU CB C 13 42.568 0.017 . 1 . . . . . 145 LEU CB . 27313 1 1302 . 1 1 124 124 LEU CG C 13 27.479 0.013 . 1 . . . . . 145 LEU CG . 27313 1 1303 . 1 1 124 124 LEU CD1 C 13 25.103 0.022 . 1 . . . . . 145 LEU CD1 . 27313 1 1304 . 1 1 124 124 LEU CD2 C 13 23.401 0.016 . 1 . . . . . 145 LEU CD2 . 27313 1 1305 . 1 1 124 124 LEU N N 15 119.250 0.015 . 1 . . . . . 145 LEU N . 27313 1 1306 . 1 1 125 125 GLU H H 1 7.555 0.002 . 1 . . . . . 146 GLU H . 27313 1 1307 . 1 1 125 125 GLU HA H 1 3.992 0.001 . 1 . . . . . 146 GLU HA . 27313 1 1308 . 1 1 125 125 GLU HB2 H 1 2.005 0.005 . 2 . . . . . 146 GLU QB . 27313 1 1309 . 1 1 125 125 GLU HB3 H 1 2.005 0.005 . 2 . . . . . 146 GLU QB . 27313 1 1310 . 1 1 125 125 GLU HG2 H 1 2.180 0.000 . 2 . . . . . 146 GLU HG2 . 27313 1 1311 . 1 1 125 125 GLU HG3 H 1 2.268 0.001 . 2 . . . . . 146 GLU HG3 . 27313 1 1312 . 1 1 125 125 GLU CA C 13 58.324 0.028 . 1 . . . . . 146 GLU CA . 27313 1 1313 . 1 1 125 125 GLU CB C 13 29.816 0.002 . 1 . . . . . 146 GLU CB . 27313 1 1314 . 1 1 125 125 GLU CG C 13 36.483 0.090 . 1 . . . . . 146 GLU CG . 27313 1 1315 . 1 1 125 125 GLU N N 15 118.757 0.007 . 1 . . . . . 146 GLU N . 27313 1 1316 . 1 1 126 126 ALA H H 1 8.065 0.002 . 1 . . . . . 147 ALA H . 27313 1 1317 . 1 1 126 126 ALA HA H 1 4.165 0.003 . 1 . . . . . 147 ALA HA . 27313 1 1318 . 1 1 126 126 ALA HB1 H 1 1.357 0.005 . 1 . . . . . 147 ALA HB . 27313 1 1319 . 1 1 126 126 ALA HB2 H 1 1.357 0.005 . 1 . . . . . 147 ALA HB . 27313 1 1320 . 1 1 126 126 ALA HB3 H 1 1.357 0.005 . 1 . . . . . 147 ALA HB . 27313 1 1321 . 1 1 126 126 ALA CA C 13 54.221 0.007 . 1 . . . . . 147 ALA CA . 27313 1 1322 . 1 1 126 126 ALA CB C 13 18.399 0.004 . 1 . . . . . 147 ALA CB . 27313 1 1323 . 1 1 126 126 ALA N N 15 119.689 0.016 . 1 . . . . . 147 ALA N . 27313 1 1324 . 1 1 127 127 ASN H H 1 7.260 0.003 . 1 . . . . . 148 ASN H . 27313 1 1325 . 1 1 127 127 ASN HA H 1 4.925 0.000 . 1 . . . . . 148 ASN HA . 27313 1 1326 . 1 1 127 127 ASN HB2 H 1 3.112 0.004 . 2 . . . . . 148 ASN HB2 . 27313 1 1327 . 1 1 127 127 ASN HB3 H 1 3.342 0.010 . 2 . . . . . 148 ASN HB3 . 27313 1 1328 . 1 1 127 127 ASN HD21 H 1 8.401 0.003 . 2 . . . . . 148 ASN HD21 . 27313 1 1329 . 1 1 127 127 ASN HD22 H 1 6.973 0.006 . 2 . . . . . 148 ASN HD22 . 27313 1 1330 . 1 1 127 127 ASN CA C 13 51.407 0.013 . 1 . . . . . 148 ASN CA . 27313 1 1331 . 1 1 127 127 ASN CB C 13 37.759 0.009 . 1 . . . . . 148 ASN CB . 27313 1 1332 . 1 1 127 127 ASN N N 15 108.246 0.020 . 1 . . . . . 148 ASN N . 27313 1 1333 . 1 1 127 127 ASN ND2 N 15 113.099 0.069 . 1 . . . . . 148 ASN ND2 . 27313 1 1334 . 1 1 128 128 PRO HA H 1 4.687 0.002 . 1 . . . . . 149 PRO HA . 27313 1 1335 . 1 1 128 128 PRO HB2 H 1 2.472 0.002 . 2 . . . . . 149 PRO HB2 . 27313 1 1336 . 1 1 128 128 PRO HB3 H 1 2.100 0.006 . 2 . . . . . 149 PRO HB3 . 27313 1 1337 . 1 1 128 128 PRO HG2 H 1 2.127 0.000 . 2 . . . . . 149 PRO HG2 . 27313 1 1338 . 1 1 128 128 PRO HG3 H 1 1.960 0.002 . 2 . . . . . 149 PRO HG3 . 27313 1 1339 . 1 1 128 128 PRO HD2 H 1 3.512 0.000 . 2 . . . . . 149 PRO HD2 . 27313 1 1340 . 1 1 128 128 PRO HD3 H 1 3.795 0.000 . 2 . . . . . 149 PRO HD3 . 27313 1 1341 . 1 1 128 128 PRO CA C 13 63.470 0.018 . 1 . . . . . 149 PRO CA . 27313 1 1342 . 1 1 128 128 PRO CB C 13 31.882 0.065 . 1 . . . . . 149 PRO CB . 27313 1 1343 . 1 1 128 128 PRO CG C 13 26.623 0.061 . 1 . . . . . 149 PRO CG . 27313 1 1344 . 1 1 128 128 PRO CD C 13 50.738 0.044 . 1 . . . . . 149 PRO CD . 27313 1 1345 . 1 1 129 129 ALA H H 1 8.144 0.003 . 1 . . . . . 150 ALA H . 27313 1 1346 . 1 1 129 129 ALA HA H 1 4.872 0.002 . 1 . . . . . 150 ALA HA . 27313 1 1347 . 1 1 129 129 ALA HB1 H 1 1.410 0.002 . 1 . . . . . 150 ALA HB . 27313 1 1348 . 1 1 129 129 ALA HB2 H 1 1.410 0.002 . 1 . . . . . 150 ALA HB . 27313 1 1349 . 1 1 129 129 ALA HB3 H 1 1.410 0.002 . 1 . . . . . 150 ALA HB . 27313 1 1350 . 1 1 129 129 ALA CA C 13 51.049 0.001 . 1 . . . . . 150 ALA CA . 27313 1 1351 . 1 1 129 129 ALA CB C 13 19.142 0.075 . 1 . . . . . 150 ALA CB . 27313 1 1352 . 1 1 129 129 ALA N N 15 123.630 0.023 . 1 . . . . . 150 ALA N . 27313 1 1353 . 1 1 130 130 ASN H H 1 7.348 0.000 . 1 . . . . . 151 ASN H . 27313 1 1354 . 1 1 130 130 ASN HA H 1 4.571 0.000 . 1 . . . . . 151 ASN HA . 27313 1 1355 . 1 1 130 130 ASN HB2 H 1 2.785 0.005 . 2 . . . . . 151 ASN HB2 . 27313 1 1356 . 1 1 130 130 ASN HB3 H 1 2.901 0.003 . 2 . . . . . 151 ASN HB3 . 27313 1 1357 . 1 1 130 130 ASN HD21 H 1 7.861 0.007 . 2 . . . . . 151 ASN HD21 . 27313 1 1358 . 1 1 130 130 ASN HD22 H 1 5.533 0.005 . 2 . . . . . 151 ASN HD22 . 27313 1 1359 . 1 1 130 130 ASN CA C 13 51.096 0.034 . 1 . . . . . 151 ASN CA . 27313 1 1360 . 1 1 130 130 ASN CB C 13 37.976 0.035 . 1 . . . . . 151 ASN CB . 27313 1 1361 . 1 1 130 130 ASN N N 15 119.816 0.000 . 1 . . . . . 151 ASN N . 27313 1 1362 . 1 1 130 130 ASN ND2 N 15 106.075 0.071 . 1 . . . . . 151 ASN ND2 . 27313 1 1363 . 1 1 131 131 PRO HA H 1 3.947 0.001 . 1 . . . . . 152 PRO HA . 27313 1 1364 . 1 1 131 131 PRO HB2 H 1 1.261 0.004 . 2 . . . . . 152 PRO HB2 . 27313 1 1365 . 1 1 131 131 PRO HB3 H 1 0.145 0.004 . 2 . . . . . 152 PRO HB3 . 27313 1 1366 . 1 1 131 131 PRO HG2 H 1 1.333 0.003 . 2 . . . . . 152 PRO HG2 . 27313 1 1367 . 1 1 131 131 PRO HG3 H 1 1.258 0.004 . 2 . . . . . 152 PRO HG3 . 27313 1 1368 . 1 1 131 131 PRO HD2 H 1 3.825 0.000 . 2 . . . . . 152 PRO HD2 . 27313 1 1369 . 1 1 131 131 PRO HD3 H 1 3.966 0.000 . 2 . . . . . 152 PRO HD3 . 27313 1 1370 . 1 1 131 131 PRO CA C 13 65.262 0.010 . 1 . . . . . 152 PRO CA . 27313 1 1371 . 1 1 131 131 PRO CB C 13 30.638 0.043 . 1 . . . . . 152 PRO CB . 27313 1 1372 . 1 1 131 131 PRO CG C 13 27.740 0.014 . 1 . . . . . 152 PRO CG . 27313 1 1373 . 1 1 131 131 PRO CD C 13 50.982 0.020 . 1 . . . . . 152 PRO CD . 27313 1 1374 . 1 1 132 132 ARG H H 1 7.447 0.000 . 1 . . . . . 153 ARG H . 27313 1 1375 . 1 1 132 132 ARG HA H 1 3.749 0.003 . 1 . . . . . 153 ARG HA . 27313 1 1376 . 1 1 132 132 ARG HB2 H 1 1.351 0.003 . 2 . . . . . 153 ARG HB2 . 27313 1 1377 . 1 1 132 132 ARG HB3 H 1 1.740 0.005 . 2 . . . . . 153 ARG HB3 . 27313 1 1378 . 1 1 132 132 ARG HG2 H 1 -0.141 0.006 . 2 . . . . . 153 ARG HG2 . 27313 1 1379 . 1 1 132 132 ARG HG3 H 1 1.007 0.000 . 2 . . . . . 153 ARG HG3 . 27313 1 1380 . 1 1 132 132 ARG HD2 H 1 1.861 0.005 . 2 . . . . . 153 ARG HD2 . 27313 1 1381 . 1 1 132 132 ARG HD3 H 1 1.037 0.010 . 2 . . . . . 153 ARG HD3 . 27313 1 1382 . 1 1 132 132 ARG HE H 1 9.096 0.003 . 1 . . . . . 153 ARG HE . 27313 1 1383 . 1 1 132 132 ARG CA C 13 59.411 0.112 . 1 . . . . . 153 ARG CA . 27313 1 1384 . 1 1 132 132 ARG CB C 13 29.939 0.090 . 1 . . . . . 153 ARG CB . 27313 1 1385 . 1 1 132 132 ARG CG C 13 28.151 0.046 . 1 . . . . . 153 ARG CG . 27313 1 1386 . 1 1 132 132 ARG CD C 13 40.656 0.049 . 1 . . . . . 153 ARG CD . 27313 1 1387 . 1 1 132 132 ARG N N 15 117.342 0.000 . 1 . . . . . 153 ARG N . 27313 1 1388 . 1 1 132 132 ARG NE N 15 83.378 0.038 . 1 . . . . . 153 ARG NE . 27313 1 1389 . 1 1 133 133 ALA H H 1 6.574 0.002 . 1 . . . . . 154 ALA H . 27313 1 1390 . 1 1 133 133 ALA HA H 1 3.963 0.007 . 1 . . . . . 154 ALA HA . 27313 1 1391 . 1 1 133 133 ALA HB1 H 1 0.972 0.000 . 1 . . . . . 154 ALA HB . 27313 1 1392 . 1 1 133 133 ALA HB2 H 1 0.972 0.000 . 1 . . . . . 154 ALA HB . 27313 1 1393 . 1 1 133 133 ALA HB3 H 1 0.972 0.000 . 1 . . . . . 154 ALA HB . 27313 1 1394 . 1 1 133 133 ALA CA C 13 54.694 0.013 . 1 . . . . . 154 ALA CA . 27313 1 1395 . 1 1 133 133 ALA CB C 13 17.636 0.037 . 1 . . . . . 154 ALA CB . 27313 1 1396 . 1 1 133 133 ALA N N 15 121.880 0.001 . 1 . . . . . 154 ALA N . 27313 1 1397 . 1 1 134 134 TYR H H 1 6.595 0.000 . 1 . . . . . 155 TYR H . 27313 1 1398 . 1 1 134 134 TYR HA H 1 4.096 0.000 . 1 . . . . . 155 TYR HA . 27313 1 1399 . 1 1 134 134 TYR HB2 H 1 2.426 0.009 . 2 . . . . . 155 TYR HB2 . 27313 1 1400 . 1 1 134 134 TYR HB3 H 1 3.835 0.005 . 2 . . . . . 155 TYR HB3 . 27313 1 1401 . 1 1 134 134 TYR HD1 H 1 7.175 0.003 . 3 . . . . . 155 TYR QD . 27313 1 1402 . 1 1 134 134 TYR HD2 H 1 7.175 0.003 . 3 . . . . . 155 TYR QD . 27313 1 1403 . 1 1 134 134 TYR HE1 H 1 6.807 0.003 . 3 . . . . . 155 TYR QE . 27313 1 1404 . 1 1 134 134 TYR HE2 H 1 6.807 0.003 . 3 . . . . . 155 TYR QE . 27313 1 1405 . 1 1 134 134 TYR CA C 13 63.052 0.005 . 1 . . . . . 155 TYR CA . 27313 1 1406 . 1 1 134 134 TYR CB C 13 38.790 0.001 . 1 . . . . . 155 TYR CB . 27313 1 1407 . 1 1 134 134 TYR CD1 C 13 132.724 0.022 . 1 . . . . . 155 TYR CD1 . 27313 1 1408 . 1 1 134 134 TYR CE1 C 13 119.308 0.000 . 1 . . . . . 155 TYR CE1 . 27313 1 1409 . 1 1 134 134 TYR N N 15 113.422 0.014 . 1 . . . . . 155 TYR N . 27313 1 1410 . 1 1 135 135 PHE H H 1 7.915 0.004 . 1 . . . . . 156 PHE H . 27313 1 1411 . 1 1 135 135 PHE HA H 1 4.309 0.001 . 1 . . . . . 156 PHE HA . 27313 1 1412 . 1 1 135 135 PHE HB2 H 1 3.908 0.002 . 2 . . . . . 156 PHE HB2 . 27313 1 1413 . 1 1 135 135 PHE HB3 H 1 3.141 0.009 . 2 . . . . . 156 PHE HB3 . 27313 1 1414 . 1 1 135 135 PHE HD1 H 1 7.211 0.002 . 3 . . . . . 156 PHE QD . 27313 1 1415 . 1 1 135 135 PHE HD2 H 1 7.211 0.002 . 3 . . . . . 156 PHE QD . 27313 1 1416 . 1 1 135 135 PHE HE1 H 1 7.291 0.004 . 3 . . . . . 156 PHE QE . 27313 1 1417 . 1 1 135 135 PHE HE2 H 1 7.291 0.004 . 3 . . . . . 156 PHE QE . 27313 1 1418 . 1 1 135 135 PHE CA C 13 60.598 0.003 . 1 . . . . . 156 PHE CA . 27313 1 1419 . 1 1 135 135 PHE CB C 13 38.952 0.035 . 1 . . . . . 156 PHE CB . 27313 1 1420 . 1 1 135 135 PHE CD1 C 13 131.524 0.009 . 1 . . . . . 156 PHE CD1 . 27313 1 1421 . 1 1 135 135 PHE CE1 C 13 130.660 0.000 . 1 . . . . . 156 PHE CE1 . 27313 1 1422 . 1 1 135 135 PHE N N 15 119.891 0.023 . 1 . . . . . 156 PHE N . 27313 1 1423 . 1 1 136 136 LEU H H 1 8.289 0.004 . 1 . . . . . 157 LEU H . 27313 1 1424 . 1 1 136 136 LEU HA H 1 3.574 0.004 . 1 . . . . . 157 LEU HA . 27313 1 1425 . 1 1 136 136 LEU HB2 H 1 1.972 0.000 . 2 . . . . . 157 LEU HB2 . 27313 1 1426 . 1 1 136 136 LEU HB3 H 1 1.322 0.004 . 2 . . . . . 157 LEU HB3 . 27313 1 1427 . 1 1 136 136 LEU HG H 1 2.188 0.002 . 1 . . . . . 157 LEU HG . 27313 1 1428 . 1 1 136 136 LEU HD11 H 1 1.123 0.000 . 2 . . . . . 157 LEU QD1 . 27313 1 1429 . 1 1 136 136 LEU HD12 H 1 1.123 0.000 . 2 . . . . . 157 LEU QD1 . 27313 1 1430 . 1 1 136 136 LEU HD13 H 1 1.123 0.000 . 2 . . . . . 157 LEU QD1 . 27313 1 1431 . 1 1 136 136 LEU HD21 H 1 0.999 0.001 . 2 . . . . . 157 LEU QD2 . 27313 1 1432 . 1 1 136 136 LEU HD22 H 1 0.999 0.001 . 2 . . . . . 157 LEU QD2 . 27313 1 1433 . 1 1 136 136 LEU HD23 H 1 0.999 0.001 . 2 . . . . . 157 LEU QD2 . 27313 1 1434 . 1 1 136 136 LEU CA C 13 57.290 0.020 . 1 . . . . . 157 LEU CA . 27313 1 1435 . 1 1 136 136 LEU CB C 13 42.452 0.058 . 1 . . . . . 157 LEU CB . 27313 1 1436 . 1 1 136 136 LEU CG C 13 27.666 0.086 . 1 . . . . . 157 LEU CG . 27313 1 1437 . 1 1 136 136 LEU CD1 C 13 26.810 0.020 . 2 . . . . . 157 LEU CD1 . 27313 1 1438 . 1 1 136 136 LEU CD2 C 13 21.759 0.036 . 2 . . . . . 157 LEU CD2 . 27313 1 1439 . 1 1 136 136 LEU N N 15 118.595 0.016 . 1 . . . . . 157 LEU N . 27313 1 1440 . 1 1 137 137 GLN H H 1 8.053 0.002 . 1 . . . . . 158 GLN H . 27313 1 1441 . 1 1 137 137 GLN HA H 1 4.008 0.005 . 1 . . . . . 158 GLN HA . 27313 1 1442 . 1 1 137 137 GLN HB2 H 1 1.907 0.004 . 2 . . . . . 158 GLN HB2 . 27313 1 1443 . 1 1 137 137 GLN HB3 H 1 1.693 0.000 . 2 . . . . . 158 GLN HB3 . 27313 1 1444 . 1 1 137 137 GLN HG2 H 1 1.213 0.001 . 2 . . . . . 158 GLN HG2 . 27313 1 1445 . 1 1 137 137 GLN HG3 H 1 1.162 0.000 . 2 . . . . . 158 GLN HG3 . 27313 1 1446 . 1 1 137 137 GLN HE21 H 1 6.467 0.003 . 2 . . . . . 158 GLN HE21 . 27313 1 1447 . 1 1 137 137 GLN HE22 H 1 5.823 0.004 . 2 . . . . . 158 GLN HE22 . 27313 1 1448 . 1 1 137 137 GLN CA C 13 58.465 0.037 . 1 . . . . . 158 GLN CA . 27313 1 1449 . 1 1 137 137 GLN CB C 13 28.295 0.027 . 1 . . . . . 158 GLN CB . 27313 1 1450 . 1 1 137 137 GLN CG C 13 32.023 0.027 . 1 . . . . . 158 GLN CG . 27313 1 1451 . 1 1 137 137 GLN N N 15 121.827 0.002 . 1 . . . . . 158 GLN N . 27313 1 1452 . 1 1 137 137 GLN NE2 N 15 108.334 0.046 . 1 . . . . . 158 GLN NE2 . 27313 1 1453 . 1 1 138 138 ALA H H 1 8.354 0.005 . 1 . . . . . 159 ALA H . 27313 1 1454 . 1 1 138 138 ALA HA H 1 3.974 0.002 . 1 . . . . . 159 ALA HA . 27313 1 1455 . 1 1 138 138 ALA HB1 H 1 1.586 0.000 . 1 . . . . . 159 ALA HB . 27313 1 1456 . 1 1 138 138 ALA HB2 H 1 1.586 0.000 . 1 . . . . . 159 ALA HB . 27313 1 1457 . 1 1 138 138 ALA HB3 H 1 1.586 0.000 . 1 . . . . . 159 ALA HB . 27313 1 1458 . 1 1 138 138 ALA CA C 13 55.596 0.015 . 1 . . . . . 159 ALA CA . 27313 1 1459 . 1 1 138 138 ALA CB C 13 18.961 0.001 . 1 . . . . . 159 ALA CB . 27313 1 1460 . 1 1 138 138 ALA N N 15 122.618 0.051 . 1 . . . . . 159 ALA N . 27313 1 1461 . 1 1 139 139 GLN H H 1 8.453 0.003 . 1 . . . . . 160 GLN H . 27313 1 1462 . 1 1 139 139 GLN HA H 1 3.581 0.006 . 1 . . . . . 160 GLN HA . 27313 1 1463 . 1 1 139 139 GLN HB2 H 1 1.564 0.006 . 2 . . . . . 160 GLN HB2 . 27313 1 1464 . 1 1 139 139 GLN HB3 H 1 1.771 0.005 . 2 . . . . . 160 GLN HB3 . 27313 1 1465 . 1 1 139 139 GLN HG2 H 1 2.100 0.009 . 2 . . . . . 160 GLN HG2 . 27313 1 1466 . 1 1 139 139 GLN HG3 H 1 1.978 0.004 . 2 . . . . . 160 GLN HG3 . 27313 1 1467 . 1 1 139 139 GLN HE21 H 1 7.084 0.004 . 2 . . . . . 160 GLN HE21 . 27313 1 1468 . 1 1 139 139 GLN HE22 H 1 6.510 0.004 . 2 . . . . . 160 GLN HE22 . 27313 1 1469 . 1 1 139 139 GLN CA C 13 59.644 0.013 . 1 . . . . . 160 GLN CA . 27313 1 1470 . 1 1 139 139 GLN CB C 13 29.691 0.025 . 1 . . . . . 160 GLN CB . 27313 1 1471 . 1 1 139 139 GLN CG C 13 34.844 0.053 . 1 . . . . . 160 GLN CG . 27313 1 1472 . 1 1 139 139 GLN N N 15 117.234 0.006 . 1 . . . . . 160 GLN N . 27313 1 1473 . 1 1 139 139 GLN NE2 N 15 109.626 0.039 . 1 . . . . . 160 GLN NE2 . 27313 1 1474 . 1 1 140 140 SER H H 1 7.854 0.004 . 1 . . . . . 161 SER H . 27313 1 1475 . 1 1 140 140 SER HA H 1 4.118 0.000 . 1 . . . . . 161 SER HA . 27313 1 1476 . 1 1 140 140 SER HB2 H 1 3.847 0.000 . 2 . . . . . 161 SER HB2 . 27313 1 1477 . 1 1 140 140 SER HB3 H 1 3.811 0.000 . 2 . . . . . 161 SER HB3 . 27313 1 1478 . 1 1 140 140 SER CA C 13 61.200 0.002 . 1 . . . . . 161 SER CA . 27313 1 1479 . 1 1 140 140 SER CB C 13 62.875 0.028 . 1 . . . . . 161 SER CB . 27313 1 1480 . 1 1 140 140 SER N N 15 112.288 0.022 . 1 . . . . . 161 SER N . 27313 1 1481 . 1 1 141 141 LEU H H 1 7.945 0.004 . 1 . . . . . 162 LEU H . 27313 1 1482 . 1 1 141 141 LEU HA H 1 4.015 0.009 . 1 . . . . . 162 LEU HA . 27313 1 1483 . 1 1 141 141 LEU HB2 H 1 1.859 0.009 . 2 . . . . . 162 LEU HB2 . 27313 1 1484 . 1 1 141 141 LEU HB3 H 1 1.284 0.003 . 2 . . . . . 162 LEU HB3 . 27313 1 1485 . 1 1 141 141 LEU HG H 1 1.618 0.000 . 1 . . . . . 162 LEU HG . 27313 1 1486 . 1 1 141 141 LEU HD11 H 1 0.719 0.000 . 2 . . . . . 162 LEU QD1 . 27313 1 1487 . 1 1 141 141 LEU HD12 H 1 0.719 0.000 . 2 . . . . . 162 LEU QD1 . 27313 1 1488 . 1 1 141 141 LEU HD13 H 1 0.719 0.000 . 2 . . . . . 162 LEU QD1 . 27313 1 1489 . 1 1 141 141 LEU HD21 H 1 0.829 0.001 . 2 . . . . . 162 LEU QD2 . 27313 1 1490 . 1 1 141 141 LEU HD22 H 1 0.829 0.001 . 2 . . . . . 162 LEU QD2 . 27313 1 1491 . 1 1 141 141 LEU HD23 H 1 0.829 0.001 . 2 . . . . . 162 LEU QD2 . 27313 1 1492 . 1 1 141 141 LEU CA C 13 57.956 0.026 . 1 . . . . . 162 LEU CA . 27313 1 1493 . 1 1 141 141 LEU CB C 13 42.488 0.022 . 1 . . . . . 162 LEU CB . 27313 1 1494 . 1 1 141 141 LEU CG C 13 27.425 0.027 . 1 . . . . . 162 LEU CG . 27313 1 1495 . 1 1 141 141 LEU CD1 C 13 27.482 0.019 . 1 . . . . . 162 LEU CD1 . 27313 1 1496 . 1 1 141 141 LEU CD2 C 13 22.600 0.029 . 1 . . . . . 162 LEU CD2 . 27313 1 1497 . 1 1 141 141 LEU N N 15 121.797 0.028 . 1 . . . . . 162 LEU N . 27313 1 1498 . 1 1 142 142 LEU H H 1 8.192 0.003 . 1 . . . . . 163 LEU H . 27313 1 1499 . 1 1 142 142 LEU HA H 1 3.696 0.003 . 1 . . . . . 163 LEU HA . 27313 1 1500 . 1 1 142 142 LEU HB2 H 1 1.524 0.005 . 2 . . . . . 163 LEU HB2 . 27313 1 1501 . 1 1 142 142 LEU HB3 H 1 1.252 0.003 . 2 . . . . . 163 LEU HB3 . 27313 1 1502 . 1 1 142 142 LEU HG H 1 0.992 0.000 . 1 . . . . . 163 LEU HG . 27313 1 1503 . 1 1 142 142 LEU HD11 H 1 0.762 0.000 . 2 . . . . . 163 LEU QD1 . 27313 1 1504 . 1 1 142 142 LEU HD12 H 1 0.762 0.000 . 2 . . . . . 163 LEU QD1 . 27313 1 1505 . 1 1 142 142 LEU HD13 H 1 0.762 0.000 . 2 . . . . . 163 LEU QD1 . 27313 1 1506 . 1 1 142 142 LEU HD21 H 1 0.643 0.000 . 2 . . . . . 163 LEU QD2 . 27313 1 1507 . 1 1 142 142 LEU HD22 H 1 0.643 0.000 . 2 . . . . . 163 LEU QD2 . 27313 1 1508 . 1 1 142 142 LEU HD23 H 1 0.643 0.000 . 2 . . . . . 163 LEU QD2 . 27313 1 1509 . 1 1 142 142 LEU CA C 13 58.108 0.031 . 1 . . . . . 163 LEU CA . 27313 1 1510 . 1 1 142 142 LEU CB C 13 41.714 0.034 . 1 . . . . . 163 LEU CB . 27313 1 1511 . 1 1 142 142 LEU CG C 13 26.610 0.106 . 1 . . . . . 163 LEU CG . 27313 1 1512 . 1 1 142 142 LEU CD1 C 13 24.348 0.026 . 1 . . . . . 163 LEU CD1 . 27313 1 1513 . 1 1 142 142 LEU CD2 C 13 26.013 0.021 . 1 . . . . . 163 LEU CD2 . 27313 1 1514 . 1 1 142 142 LEU N N 15 121.126 0.014 . 1 . . . . . 163 LEU N . 27313 1 1515 . 1 1 143 143 TYR H H 1 7.082 0.001 . 1 . . . . . 164 TYR H . 27313 1 1516 . 1 1 143 143 TYR HA H 1 4.599 0.011 . 1 . . . . . 164 TYR HA . 27313 1 1517 . 1 1 143 143 TYR HB2 H 1 2.852 0.008 . 2 . . . . . 164 TYR HB2 . 27313 1 1518 . 1 1 143 143 TYR HB3 H 1 3.377 0.006 . 2 . . . . . 164 TYR HB3 . 27313 1 1519 . 1 1 143 143 TYR HD1 H 1 7.218 0.000 . 3 . . . . . 164 TYR QD . 27313 1 1520 . 1 1 143 143 TYR HD2 H 1 7.218 0.000 . 3 . . . . . 164 TYR QD . 27313 1 1521 . 1 1 143 143 TYR HE1 H 1 6.721 0.000 . 3 . . . . . 164 TYR QE . 27313 1 1522 . 1 1 143 143 TYR HE2 H 1 6.721 0.000 . 3 . . . . . 164 TYR QE . 27313 1 1523 . 1 1 143 143 TYR CA C 13 57.701 0.030 . 1 . . . . . 164 TYR CA . 27313 1 1524 . 1 1 143 143 TYR CB C 13 38.136 0.067 . 1 . . . . . 164 TYR CB . 27313 1 1525 . 1 1 143 143 TYR CD1 C 13 133.117 0.006 . 1 . . . . . 164 TYR CD1 . 27313 1 1526 . 1 1 143 143 TYR CE1 C 13 117.857 0.008 . 1 . . . . . 164 TYR CE1 . 27313 1 1527 . 1 1 143 143 TYR N N 15 114.089 0.027 . 1 . . . . . 164 TYR N . 27313 1 1528 . 1 1 144 144 THR H H 1 7.439 0.003 . 1 . . . . . 165 THR H . 27313 1 1529 . 1 1 144 144 THR HA H 1 4.563 0.007 . 1 . . . . . 165 THR HA . 27313 1 1530 . 1 1 144 144 THR HB H 1 4.159 0.004 . 1 . . . . . 165 THR HB . 27313 1 1531 . 1 1 144 144 THR HG1 H 1 5.820 0.000 . 1 . . . . . 165 THR HG1 . 27313 1 1532 . 1 1 144 144 THR HG21 H 1 1.324 0.005 . 1 . . . . . 165 THR QG2 . 27313 1 1533 . 1 1 144 144 THR HG22 H 1 1.324 0.005 . 1 . . . . . 165 THR QG2 . 27313 1 1534 . 1 1 144 144 THR HG23 H 1 1.324 0.005 . 1 . . . . . 165 THR QG2 . 27313 1 1535 . 1 1 144 144 THR CA C 13 61.736 0.038 . 1 . . . . . 165 THR CA . 27313 1 1536 . 1 1 144 144 THR CB C 13 70.590 0.007 . 1 . . . . . 165 THR CB . 27313 1 1537 . 1 1 144 144 THR CG2 C 13 20.532 0.032 . 1 . . . . . 165 THR CG2 . 27313 1 1538 . 1 1 144 144 THR N N 15 120.867 0.006 . 1 . . . . . 165 THR N . 27313 1 1539 . 1 1 145 145 PRO HA H 1 4.322 0.004 . 1 . . . . . 166 PRO HA . 27313 1 1540 . 1 1 145 145 PRO HB2 H 1 2.424 0.004 . 2 . . . . . 166 PRO HB2 . 27313 1 1541 . 1 1 145 145 PRO HB3 H 1 1.573 0.005 . 2 . . . . . 166 PRO HB3 . 27313 1 1542 . 1 1 145 145 PRO HG2 H 1 1.327 0.000 . 2 . . . . . 166 PRO HG2 . 27313 1 1543 . 1 1 145 145 PRO HG3 H 1 1.991 0.000 . 2 . . . . . 166 PRO HG3 . 27313 1 1544 . 1 1 145 145 PRO HD2 H 1 4.026 0.007 . 2 . . . . . 166 PRO HD2 . 27313 1 1545 . 1 1 145 145 PRO HD3 H 1 3.528 0.006 . 2 . . . . . 166 PRO HD3 . 27313 1 1546 . 1 1 145 145 PRO CA C 13 63.149 0.029 . 1 . . . . . 166 PRO CA . 27313 1 1547 . 1 1 145 145 PRO CB C 13 32.972 0.059 . 1 . . . . . 166 PRO CB . 27313 1 1548 . 1 1 145 145 PRO CG C 13 27.793 0.035 . 1 . . . . . 166 PRO CG . 27313 1 1549 . 1 1 145 145 PRO CD C 13 51.642 0.074 . 1 . . . . . 166 PRO CD . 27313 1 1550 . 1 1 146 146 ALA H H 1 8.994 0.000 . 1 . . . . . 167 ALA H . 27313 1 1551 . 1 1 146 146 ALA HA H 1 4.107 0.000 . 1 . . . . . 167 ALA HA . 27313 1 1552 . 1 1 146 146 ALA HB1 H 1 1.421 0.012 . 1 . . . . . 167 ALA HB . 27313 1 1553 . 1 1 146 146 ALA HB2 H 1 1.421 0.012 . 1 . . . . . 167 ALA HB . 27313 1 1554 . 1 1 146 146 ALA HB3 H 1 1.421 0.012 . 1 . . . . . 167 ALA HB . 27313 1 1555 . 1 1 146 146 ALA CA C 13 55.115 0.068 . 1 . . . . . 167 ALA CA . 27313 1 1556 . 1 1 146 146 ALA CB C 13 18.035 0.046 . 1 . . . . . 167 ALA CB . 27313 1 1557 . 1 1 146 146 ALA N N 15 128.949 0.000 . 1 . . . . . 167 ALA N . 27313 1 1558 . 1 1 147 147 GLN HA H 1 4.032 0.002 . 1 . . . . . 168 GLN HA . 27313 1 1559 . 1 1 147 147 GLN HB2 H 1 1.548 0.000 . 2 . . . . . 168 GLN HB2 . 27313 1 1560 . 1 1 147 147 GLN HB3 H 1 1.777 0.000 . 2 . . . . . 168 GLN HB3 . 27313 1 1561 . 1 1 147 147 GLN HG2 H 1 1.523 0.008 . 2 . . . . . 168 GLN HG2 . 27313 1 1562 . 1 1 147 147 GLN HG3 H 1 1.762 0.011 . 2 . . . . . 168 GLN HG3 . 27313 1 1563 . 1 1 147 147 GLN HE21 H 1 7.083 0.004 . 2 . . . . . 168 GLN HE21 . 27313 1 1564 . 1 1 147 147 GLN HE22 H 1 6.768 0.006 . 2 . . . . . 168 GLN HE22 . 27313 1 1565 . 1 1 147 147 GLN CA C 13 57.994 0.009 . 1 . . . . . 168 GLN CA . 27313 1 1566 . 1 1 147 147 GLN CB C 13 27.357 0.057 . 1 . . . . . 168 GLN CB . 27313 1 1567 . 1 1 147 147 GLN CG C 13 32.670 0.035 . 1 . . . . . 168 GLN CG . 27313 1 1568 . 1 1 147 147 GLN NE2 N 15 111.677 0.040 . 1 . . . . . 168 GLN NE2 . 27313 1 1569 . 1 1 148 148 PHE H H 1 7.421 0.002 . 1 . . . . . 169 PHE H . 27313 1 1570 . 1 1 148 148 PHE HA H 1 5.011 0.002 . 1 . . . . . 169 PHE HA . 27313 1 1571 . 1 1 148 148 PHE HB2 H 1 2.433 0.009 . 2 . . . . . 169 PHE HB2 . 27313 1 1572 . 1 1 148 148 PHE HB3 H 1 3.571 0.005 . 2 . . . . . 169 PHE HB3 . 27313 1 1573 . 1 1 148 148 PHE HD1 H 1 6.896 0.000 . 3 . . . . . 169 PHE QD . 27313 1 1574 . 1 1 148 148 PHE HD2 H 1 6.896 0.000 . 3 . . . . . 169 PHE QD . 27313 1 1575 . 1 1 148 148 PHE HE1 H 1 7.149 0.002 . 3 . . . . . 169 PHE QE . 27313 1 1576 . 1 1 148 148 PHE HE2 H 1 7.149 0.002 . 3 . . . . . 169 PHE QE . 27313 1 1577 . 1 1 148 148 PHE HZ H 1 7.148 0.000 . 1 . . . . . 169 PHE HZ . 27313 1 1578 . 1 1 148 148 PHE CA C 13 55.306 0.013 . 1 . . . . . 169 PHE CA . 27313 1 1579 . 1 1 148 148 PHE CB C 13 39.142 0.026 . 1 . . . . . 169 PHE CB . 27313 1 1580 . 1 1 148 148 PHE CD1 C 13 130.909 0.129 . 1 . . . . . 169 PHE CD1 . 27313 1 1581 . 1 1 148 148 PHE CE1 C 13 131.171 0.000 . 1 . . . . . 169 PHE CE1 . 27313 1 1582 . 1 1 148 148 PHE CZ C 13 129.806 0.000 . 1 . . . . . 169 PHE CZ . 27313 1 1583 . 1 1 148 148 PHE N N 15 117.383 0.017 . 1 . . . . . 169 PHE N . 27313 1 1584 . 1 1 149 149 GLY H H 1 7.729 0.003 . 1 . . . . . 170 GLY H . 27313 1 1585 . 1 1 149 149 GLY HA2 H 1 3.790 0.000 . 2 . . . . . 170 GLY HA2 . 27313 1 1586 . 1 1 149 149 GLY HA3 H 1 4.302 0.000 . 2 . . . . . 170 GLY HA3 . 27313 1 1587 . 1 1 149 149 GLY CA C 13 45.483 0.027 . 1 . . . . . 170 GLY CA . 27313 1 1588 . 1 1 149 149 GLY N N 15 106.541 0.017 . 1 . . . . . 170 GLY N . 27313 1 1589 . 1 1 150 150 GLY H H 1 7.310 0.000 . 1 . . . . . 171 GLY H . 27313 1 1590 . 1 1 150 150 GLY HA2 H 1 4.107 0.000 . 2 . . . . . 171 GLY HA2 . 27313 1 1591 . 1 1 150 150 GLY HA3 H 1 4.399 0.000 . 2 . . . . . 171 GLY HA3 . 27313 1 1592 . 1 1 150 150 GLY CA C 13 43.944 0.006 . 1 . . . . . 171 GLY CA . 27313 1 1593 . 1 1 150 150 GLY N N 15 105.374 0.000 . 1 . . . . . 171 GLY N . 27313 1 1594 . 1 1 151 151 GLY H H 1 7.995 0.002 . 1 . . . . . 172 GLY H . 27313 1 1595 . 1 1 151 151 GLY HA2 H 1 4.724 0.003 . 2 . . . . . 172 GLY HA2 . 27313 1 1596 . 1 1 151 151 GLY HA3 H 1 3.970 0.000 . 2 . . . . . 172 GLY HA3 . 27313 1 1597 . 1 1 151 151 GLY CA C 13 44.147 0.027 . 1 . . . . . 172 GLY CA . 27313 1 1598 . 1 1 151 151 GLY N N 15 106.492 0.002 . 1 . . . . . 172 GLY N . 27313 1 1599 . 1 1 152 152 LYS H H 1 8.883 0.000 . 1 . . . . . 173 LYS H . 27313 1 1600 . 1 1 152 152 LYS HA H 1 3.912 0.002 . 1 . . . . . 173 LYS HA . 27313 1 1601 . 1 1 152 152 LYS HB2 H 1 1.912 0.002 . 2 . . . . . 173 LYS QB . 27313 1 1602 . 1 1 152 152 LYS HB3 H 1 1.912 0.002 . 2 . . . . . 173 LYS QB . 27313 1 1603 . 1 1 152 152 LYS HG2 H 1 1.588 0.000 . 2 . . . . . 173 LYS HG2 . 27313 1 1604 . 1 1 152 152 LYS HG3 H 1 1.479 0.001 . 2 . . . . . 173 LYS HG3 . 27313 1 1605 . 1 1 152 152 LYS HD2 H 1 1.762 0.002 . 2 . . . . . 173 LYS QD . 27313 1 1606 . 1 1 152 152 LYS HD3 H 1 1.762 0.002 . 2 . . . . . 173 LYS QD . 27313 1 1607 . 1 1 152 152 LYS HE2 H 1 2.966 0.001 . 2 . . . . . 173 LYS HE2 . 27313 1 1608 . 1 1 152 152 LYS HE3 H 1 3.026 0.000 . 2 . . . . . 173 LYS HE3 . 27313 1 1609 . 1 1 152 152 LYS CA C 13 60.554 0.024 . 1 . . . . . 173 LYS CA . 27313 1 1610 . 1 1 152 152 LYS CB C 13 32.927 0.035 . 1 . . . . . 173 LYS CB . 27313 1 1611 . 1 1 152 152 LYS CG C 13 25.468 0.029 . 1 . . . . . 173 LYS CG . 27313 1 1612 . 1 1 152 152 LYS CD C 13 29.594 0.029 . 1 . . . . . 173 LYS CD . 27313 1 1613 . 1 1 152 152 LYS CE C 13 41.915 0.046 . 1 . . . . . 173 LYS CE . 27313 1 1614 . 1 1 152 152 LYS N N 15 121.617 0.000 . 1 . . . . . 173 LYS N . 27313 1 1615 . 1 1 153 153 ASP H H 1 8.730 0.003 . 1 . . . . . 174 ASP H . 27313 1 1616 . 1 1 153 153 ASP HA H 1 4.351 0.000 . 1 . . . . . 174 ASP HA . 27313 1 1617 . 1 1 153 153 ASP HB2 H 1 2.584 0.002 . 2 . . . . . 174 ASP HB2 . 27313 1 1618 . 1 1 153 153 ASP HB3 H 1 2.717 0.015 . 2 . . . . . 174 ASP HB3 . 27313 1 1619 . 1 1 153 153 ASP CA C 13 56.268 0.028 . 1 . . . . . 174 ASP CA . 27313 1 1620 . 1 1 153 153 ASP CB C 13 39.419 0.123 . 1 . . . . . 174 ASP CB . 27313 1 1621 . 1 1 153 153 ASP N N 15 115.981 0.005 . 1 . . . . . 174 ASP N . 27313 1 1622 . 1 1 154 154 LYS H H 1 7.109 0.002 . 1 . . . . . 175 LYS H . 27313 1 1623 . 1 1 154 154 LYS HA H 1 4.270 0.002 . 1 . . . . . 175 LYS HA . 27313 1 1624 . 1 1 154 154 LYS HB2 H 1 1.871 0.006 . 2 . . . . . 175 LYS QB . 27313 1 1625 . 1 1 154 154 LYS HB3 H 1 1.871 0.006 . 2 . . . . . 175 LYS QB . 27313 1 1626 . 1 1 154 154 LYS HG2 H 1 1.317 0.002 . 2 . . . . . 175 LYS HG2 . 27313 1 1627 . 1 1 154 154 LYS HG3 H 1 1.565 0.001 . 2 . . . . . 175 LYS HG3 . 27313 1 1628 . 1 1 154 154 LYS HD2 H 1 1.566 0.000 . 2 . . . . . 175 LYS QD . 27313 1 1629 . 1 1 154 154 LYS HD3 H 1 1.566 0.000 . 2 . . . . . 175 LYS QD . 27313 1 1630 . 1 1 154 154 LYS HE2 H 1 2.966 0.000 . 2 . . . . . 175 LYS HE2 . 27313 1 1631 . 1 1 154 154 LYS HE3 H 1 2.983 0.000 . 2 . . . . . 175 LYS HE3 . 27313 1 1632 . 1 1 154 154 LYS CA C 13 56.029 0.014 . 1 . . . . . 175 LYS CA . 27313 1 1633 . 1 1 154 154 LYS CB C 13 32.582 0.054 . 1 . . . . . 175 LYS CB . 27313 1 1634 . 1 1 154 154 LYS CG C 13 24.403 0.070 . 1 . . . . . 175 LYS CG . 27313 1 1635 . 1 1 154 154 LYS CD C 13 27.750 0.050 . 1 . . . . . 175 LYS CD . 27313 1 1636 . 1 1 154 154 LYS CE C 13 42.268 0.026 . 1 . . . . . 175 LYS CE . 27313 1 1637 . 1 1 154 154 LYS N N 15 118.317 0.031 . 1 . . . . . 175 LYS N . 27313 1 1638 . 1 1 155 155 ALA H H 1 7.966 0.003 . 1 . . . . . 176 ALA H . 27313 1 1639 . 1 1 155 155 ALA HA H 1 4.268 0.003 . 1 . . . . . 176 ALA HA . 27313 1 1640 . 1 1 155 155 ALA HB1 H 1 1.557 0.007 . 1 . . . . . 176 ALA HB . 27313 1 1641 . 1 1 155 155 ALA HB2 H 1 1.557 0.007 . 1 . . . . . 176 ALA HB . 27313 1 1642 . 1 1 155 155 ALA HB3 H 1 1.557 0.007 . 1 . . . . . 176 ALA HB . 27313 1 1643 . 1 1 155 155 ALA CA C 13 54.828 0.007 . 1 . . . . . 176 ALA CA . 27313 1 1644 . 1 1 155 155 ALA CB C 13 20.966 0.015 . 1 . . . . . 176 ALA CB . 27313 1 1645 . 1 1 155 155 ALA N N 15 120.030 0.012 . 1 . . . . . 176 ALA N . 27313 1 1646 . 1 1 156 156 LEU H H 1 7.800 0.003 . 1 . . . . . 177 LEU H . 27313 1 1647 . 1 1 156 156 LEU HA H 1 4.214 0.003 . 1 . . . . . 177 LEU HA . 27313 1 1648 . 1 1 156 156 LEU HB2 H 1 1.731 0.005 . 2 . . . . . 177 LEU HB2 . 27313 1 1649 . 1 1 156 156 LEU HB3 H 1 2.009 0.002 . 2 . . . . . 177 LEU HB3 . 27313 1 1650 . 1 1 156 156 LEU HG H 1 1.535 0.003 . 1 . . . . . 177 LEU HG . 27313 1 1651 . 1 1 156 156 LEU HD11 H 1 0.920 0.001 . 2 . . . . . 177 LEU QD1 . 27313 1 1652 . 1 1 156 156 LEU HD12 H 1 0.920 0.001 . 2 . . . . . 177 LEU QD1 . 27313 1 1653 . 1 1 156 156 LEU HD13 H 1 0.920 0.001 . 2 . . . . . 177 LEU QD1 . 27313 1 1654 . 1 1 156 156 LEU HD21 H 1 0.877 0.000 . 2 . . . . . 177 LEU QD2 . 27313 1 1655 . 1 1 156 156 LEU HD22 H 1 0.877 0.000 . 2 . . . . . 177 LEU QD2 . 27313 1 1656 . 1 1 156 156 LEU HD23 H 1 0.877 0.000 . 2 . . . . . 177 LEU QD2 . 27313 1 1657 . 1 1 156 156 LEU CA C 13 60.865 0.026 . 1 . . . . . 177 LEU CA . 27313 1 1658 . 1 1 156 156 LEU CB C 13 39.089 0.024 . 1 . . . . . 177 LEU CB . 27313 1 1659 . 1 1 156 156 LEU CG C 13 27.578 0.018 . 1 . . . . . 177 LEU CG . 27313 1 1660 . 1 1 156 156 LEU CD1 C 13 25.744 0.034 . 2 . . . . . 177 LEU CD1 . 27313 1 1661 . 1 1 156 156 LEU CD2 C 13 24.606 0.015 . 2 . . . . . 177 LEU CD2 . 27313 1 1662 . 1 1 156 156 LEU N N 15 117.803 0.029 . 1 . . . . . 177 LEU N . 27313 1 1663 . 1 1 157 157 PRO HA H 1 4.372 0.001 . 1 . . . . . 178 PRO HA . 27313 1 1664 . 1 1 157 157 PRO HB2 H 1 1.417 0.003 . 2 . . . . . 178 PRO HB2 . 27313 1 1665 . 1 1 157 157 PRO HB3 H 1 2.119 0.000 . 2 . . . . . 178 PRO HB3 . 27313 1 1666 . 1 1 157 157 PRO HG2 H 1 1.952 0.000 . 2 . . . . . 178 PRO HG2 . 27313 1 1667 . 1 1 157 157 PRO HG3 H 1 1.837 0.000 . 2 . . . . . 178 PRO HG3 . 27313 1 1668 . 1 1 157 157 PRO HD2 H 1 3.888 0.000 . 2 . . . . . 178 PRO HD2 . 27313 1 1669 . 1 1 157 157 PRO HD3 H 1 3.522 0.008 . 2 . . . . . 178 PRO HD3 . 27313 1 1670 . 1 1 157 157 PRO CA C 13 65.808 0.022 . 1 . . . . . 178 PRO CA . 27313 1 1671 . 1 1 157 157 PRO CB C 13 30.647 0.044 . 1 . . . . . 178 PRO CB . 27313 1 1672 . 1 1 157 157 PRO CG C 13 28.571 0.034 . 1 . . . . . 178 PRO CG . 27313 1 1673 . 1 1 157 157 PRO CD C 13 49.747 0.032 . 1 . . . . . 178 PRO CD . 27313 1 1674 . 1 1 158 158 PHE H H 1 7.013 0.002 . 1 . . . . . 179 PHE H . 27313 1 1675 . 1 1 158 158 PHE HA H 1 4.223 0.004 . 1 . . . . . 179 PHE HA . 27313 1 1676 . 1 1 158 158 PHE HB2 H 1 3.093 0.001 . 2 . . . . . 179 PHE HB2 . 27313 1 1677 . 1 1 158 158 PHE HB3 H 1 3.572 0.012 . 2 . . . . . 179 PHE HB3 . 27313 1 1678 . 1 1 158 158 PHE HD1 H 1 7.478 0.000 . 3 . . . . . 179 PHE QD . 27313 1 1679 . 1 1 158 158 PHE HD2 H 1 7.478 0.000 . 3 . . . . . 179 PHE QD . 27313 1 1680 . 1 1 158 158 PHE HE1 H 1 7.482 0.001 . 3 . . . . . 179 PHE QE . 27313 1 1681 . 1 1 158 158 PHE HE2 H 1 7.482 0.001 . 3 . . . . . 179 PHE QE . 27313 1 1682 . 1 1 158 158 PHE HZ H 1 7.413 0.002 . 1 . . . . . 179 PHE HZ . 27313 1 1683 . 1 1 158 158 PHE CA C 13 62.200 0.024 . 1 . . . . . 179 PHE CA . 27313 1 1684 . 1 1 158 158 PHE CB C 13 39.010 0.029 . 1 . . . . . 179 PHE CB . 27313 1 1685 . 1 1 158 158 PHE CD1 C 13 131.578 0.000 . 1 . . . . . 179 PHE CD1 . 27313 1 1686 . 1 1 158 158 PHE CE1 C 13 132.672 0.000 . 1 . . . . . 179 PHE CE1 . 27313 1 1687 . 1 1 158 158 PHE CZ C 13 130.820 0.000 . 1 . . . . . 179 PHE CZ . 27313 1 1688 . 1 1 158 158 PHE N N 15 115.476 0.023 . 1 . . . . . 179 PHE N . 27313 1 1689 . 1 1 159 159 ALA H H 1 8.477 0.003 . 1 . . . . . 180 ALA H . 27313 1 1690 . 1 1 159 159 ALA HA H 1 4.092 0.001 . 1 . . . . . 180 ALA HA . 27313 1 1691 . 1 1 159 159 ALA HB1 H 1 1.497 0.006 . 1 . . . . . 180 ALA HB . 27313 1 1692 . 1 1 159 159 ALA HB2 H 1 1.497 0.006 . 1 . . . . . 180 ALA HB . 27313 1 1693 . 1 1 159 159 ALA HB3 H 1 1.497 0.006 . 1 . . . . . 180 ALA HB . 27313 1 1694 . 1 1 159 159 ALA CA C 13 55.316 0.013 . 1 . . . . . 180 ALA CA . 27313 1 1695 . 1 1 159 159 ALA CB C 13 18.294 0.027 . 1 . . . . . 180 ALA CB . 27313 1 1696 . 1 1 159 159 ALA N N 15 125.448 0.020 . 1 . . . . . 180 ALA N . 27313 1 1697 . 1 1 160 160 GLU H H 1 8.729 0.004 . 1 . . . . . 181 GLU H . 27313 1 1698 . 1 1 160 160 GLU HA H 1 3.893 0.003 . 1 . . . . . 181 GLU HA . 27313 1 1699 . 1 1 160 160 GLU HB2 H 1 2.018 0.000 . 2 . . . . . 181 GLU HB2 . 27313 1 1700 . 1 1 160 160 GLU HB3 H 1 1.921 0.000 . 2 . . . . . 181 GLU HB3 . 27313 1 1701 . 1 1 160 160 GLU HG2 H 1 2.304 0.000 . 2 . . . . . 181 GLU HG2 . 27313 1 1702 . 1 1 160 160 GLU HG3 H 1 2.100 0.000 . 2 . . . . . 181 GLU HG3 . 27313 1 1703 . 1 1 160 160 GLU CA C 13 59.798 0.025 . 1 . . . . . 181 GLU CA . 27313 1 1704 . 1 1 160 160 GLU CB C 13 30.171 0.105 . 1 . . . . . 181 GLU CB . 27313 1 1705 . 1 1 160 160 GLU CG C 13 36.927 0.089 . 1 . . . . . 181 GLU CG . 27313 1 1706 . 1 1 160 160 GLU N N 15 118.123 0.009 . 1 . . . . . 181 GLU N . 27313 1 1707 . 1 1 161 161 LYS H H 1 7.533 0.002 . 1 . . . . . 182 LYS H . 27313 1 1708 . 1 1 161 161 LYS HA H 1 3.915 0.000 . 1 . . . . . 182 LYS HA . 27313 1 1709 . 1 1 161 161 LYS HB2 H 1 1.486 0.003 . 2 . . . . . 182 LYS HB2 . 27313 1 1710 . 1 1 161 161 LYS HB3 H 1 1.119 0.009 . 2 . . . . . 182 LYS HB3 . 27313 1 1711 . 1 1 161 161 LYS HG2 H 1 0.651 0.000 . 2 . . . . . 182 LYS QG . 27313 1 1712 . 1 1 161 161 LYS HG3 H 1 0.651 0.000 . 2 . . . . . 182 LYS QG . 27313 1 1713 . 1 1 161 161 LYS HD2 H 1 1.300 0.001 . 2 . . . . . 182 LYS HD2 . 27313 1 1714 . 1 1 161 161 LYS HD3 H 1 1.233 0.000 . 2 . . . . . 182 LYS HD3 . 27313 1 1715 . 1 1 161 161 LYS HE2 H 1 2.519 0.001 . 2 . . . . . 182 LYS HE2 . 27313 1 1716 . 1 1 161 161 LYS HE3 H 1 2.619 0.000 . 2 . . . . . 182 LYS HE3 . 27313 1 1717 . 1 1 161 161 LYS CA C 13 58.345 0.066 . 1 . . . . . 182 LYS CA . 27313 1 1718 . 1 1 161 161 LYS CB C 13 31.891 0.028 . 1 . . . . . 182 LYS CB . 27313 1 1719 . 1 1 161 161 LYS CG C 13 24.315 0.028 . 1 . . . . . 182 LYS CG . 27313 1 1720 . 1 1 161 161 LYS CD C 13 28.716 0.029 . 1 . . . . . 182 LYS CD . 27313 1 1721 . 1 1 161 161 LYS CE C 13 42.038 0.017 . 1 . . . . . 182 LYS CE . 27313 1 1722 . 1 1 161 161 LYS N N 15 120.185 0.010 . 1 . . . . . 182 LYS N . 27313 1 1723 . 1 1 162 162 SER H H 1 8.334 0.004 . 1 . . . . . 183 SER H . 27313 1 1724 . 1 1 162 162 SER HA H 1 4.322 0.000 . 1 . . . . . 183 SER HA . 27313 1 1725 . 1 1 162 162 SER N N 15 113.428 0.002 . 1 . . . . . 183 SER N . 27313 1 1726 . 1 1 163 163 VAL H H 1 7.701 0.003 . 1 . . . . . 184 VAL H . 27313 1 1727 . 1 1 163 163 VAL HA H 1 3.853 0.001 . 1 . . . . . 184 VAL HA . 27313 1 1728 . 1 1 163 163 VAL HB H 1 2.185 0.003 . 1 . . . . . 184 VAL HB . 27313 1 1729 . 1 1 163 163 VAL HG11 H 1 0.989 0.003 . 2 . . . . . 184 VAL QG1 . 27313 1 1730 . 1 1 163 163 VAL HG12 H 1 0.989 0.003 . 2 . . . . . 184 VAL QG1 . 27313 1 1731 . 1 1 163 163 VAL HG13 H 1 0.989 0.003 . 2 . . . . . 184 VAL QG1 . 27313 1 1732 . 1 1 163 163 VAL HG21 H 1 1.117 0.000 . 2 . . . . . 184 VAL QG2 . 27313 1 1733 . 1 1 163 163 VAL HG22 H 1 1.117 0.000 . 2 . . . . . 184 VAL QG2 . 27313 1 1734 . 1 1 163 163 VAL HG23 H 1 1.117 0.000 . 2 . . . . . 184 VAL QG2 . 27313 1 1735 . 1 1 163 163 VAL CA C 13 68.117 0.019 . 1 . . . . . 184 VAL CA . 27313 1 1736 . 1 1 163 163 VAL CB C 13 31.888 0.079 . 1 . . . . . 184 VAL CB . 27313 1 1737 . 1 1 163 163 VAL CG1 C 13 21.414 0.108 . 1 . . . . . 184 VAL CG1 . 27313 1 1738 . 1 1 163 163 VAL CG2 C 13 24.363 0.018 . 1 . . . . . 184 VAL CG2 . 27313 1 1739 . 1 1 163 163 VAL N N 15 117.295 0.008 . 1 . . . . . 184 VAL N . 27313 1 1740 . 1 1 164 164 SER H H 1 8.010 0.003 . 1 . . . . . 185 SER H . 27313 1 1741 . 1 1 164 164 SER HA H 1 4.270 0.002 . 1 . . . . . 185 SER HA . 27313 1 1742 . 1 1 164 164 SER HB2 H 1 3.937 0.000 . 2 . . . . . 185 SER HB2 . 27313 1 1743 . 1 1 164 164 SER HB3 H 1 3.956 0.000 . 2 . . . . . 185 SER HB3 . 27313 1 1744 . 1 1 164 164 SER CA C 13 61.861 0.033 . 1 . . . . . 185 SER CA . 27313 1 1745 . 1 1 164 164 SER CB C 13 62.644 0.028 . 1 . . . . . 185 SER CB . 27313 1 1746 . 1 1 164 164 SER N N 15 116.263 0.009 . 1 . . . . . 185 SER N . 27313 1 1747 . 1 1 165 165 CYS H H 1 8.413 0.003 . 1 . . . . . 186 CYS H . 27313 1 1748 . 1 1 165 165 CYS HA H 1 4.210 0.001 . 1 . . . . . 186 CYS HA . 27313 1 1749 . 1 1 165 165 CYS HB2 H 1 2.521 0.004 . 2 . . . . . 186 CYS HB2 . 27313 1 1750 . 1 1 165 165 CYS HB3 H 1 2.951 0.002 . 2 . . . . . 186 CYS HB3 . 27313 1 1751 . 1 1 165 165 CYS CA C 13 64.296 0.022 . 1 . . . . . 186 CYS CA . 27313 1 1752 . 1 1 165 165 CYS CB C 13 27.029 0.023 . 1 . . . . . 186 CYS CB . 27313 1 1753 . 1 1 165 165 CYS N N 15 120.453 0.021 . 1 . . . . . 186 CYS N . 27313 1 1754 . 1 1 166 166 TYR H H 1 8.791 0.003 . 1 . . . . . 187 TYR H . 27313 1 1755 . 1 1 166 166 TYR HA H 1 4.027 0.006 . 1 . . . . . 187 TYR HA . 27313 1 1756 . 1 1 166 166 TYR HB2 H 1 3.020 0.000 . 2 . . . . . 187 TYR QB . 27313 1 1757 . 1 1 166 166 TYR HB3 H 1 3.020 0.000 . 2 . . . . . 187 TYR QB . 27313 1 1758 . 1 1 166 166 TYR HD1 H 1 7.114 0.000 . 3 . . . . . 187 TYR QD . 27313 1 1759 . 1 1 166 166 TYR HD2 H 1 7.114 0.000 . 3 . . . . . 187 TYR QD . 27313 1 1760 . 1 1 166 166 TYR HE1 H 1 6.226 0.004 . 3 . . . . . 187 TYR QE . 27313 1 1761 . 1 1 166 166 TYR HE2 H 1 6.226 0.004 . 3 . . . . . 187 TYR QE . 27313 1 1762 . 1 1 166 166 TYR CA C 13 64.246 0.023 . 1 . . . . . 187 TYR CA . 27313 1 1763 . 1 1 166 166 TYR CB C 13 38.296 0.008 . 1 . . . . . 187 TYR CB . 27313 1 1764 . 1 1 166 166 TYR CE1 C 13 118.183 0.010 . 1 . . . . . 187 TYR CE1 . 27313 1 1765 . 1 1 166 166 TYR N N 15 122.352 0.001 . 1 . . . . . 187 TYR N . 27313 1 1766 . 1 1 167 167 ALA H H 1 7.766 0.003 . 1 . . . . . 188 ALA H . 27313 1 1767 . 1 1 167 167 ALA HA H 1 4.234 0.003 . 1 . . . . . 188 ALA HA . 27313 1 1768 . 1 1 167 167 ALA HB1 H 1 1.508 0.000 . 1 . . . . . 188 ALA HB . 27313 1 1769 . 1 1 167 167 ALA HB2 H 1 1.508 0.000 . 1 . . . . . 188 ALA HB . 27313 1 1770 . 1 1 167 167 ALA HB3 H 1 1.508 0.000 . 1 . . . . . 188 ALA HB . 27313 1 1771 . 1 1 167 167 ALA CA C 13 54.419 0.000 . 1 . . . . . 188 ALA CA . 27313 1 1772 . 1 1 167 167 ALA CB C 13 18.067 0.000 . 1 . . . . . 188 ALA CB . 27313 1 1773 . 1 1 167 167 ALA N N 15 120.770 0.010 . 1 . . . . . 188 ALA N . 27313 1 1774 . 1 1 168 168 ALA H H 1 7.107 0.002 . 1 . . . . . 189 ALA H . 27313 1 1775 . 1 1 168 168 ALA HA H 1 4.431 0.001 . 1 . . . . . 189 ALA HA . 27313 1 1776 . 1 1 168 168 ALA HB1 H 1 1.423 0.000 . 1 . . . . . 189 ALA HB . 27313 1 1777 . 1 1 168 168 ALA HB2 H 1 1.423 0.000 . 1 . . . . . 189 ALA HB . 27313 1 1778 . 1 1 168 168 ALA HB3 H 1 1.423 0.000 . 1 . . . . . 189 ALA HB . 27313 1 1779 . 1 1 168 168 ALA CA C 13 51.602 0.003 . 1 . . . . . 189 ALA CA . 27313 1 1780 . 1 1 168 168 ALA CB C 13 20.064 0.001 . 1 . . . . . 189 ALA CB . 27313 1 1781 . 1 1 168 168 ALA N N 15 117.899 0.008 . 1 . . . . . 189 ALA N . 27313 1 1782 . 1 1 169 169 ALA H H 1 7.203 0.002 . 1 . . . . . 190 ALA H . 27313 1 1783 . 1 1 169 169 ALA HA H 1 4.244 0.003 . 1 . . . . . 190 ALA HA . 27313 1 1784 . 1 1 169 169 ALA HB1 H 1 1.456 0.002 . 1 . . . . . 190 ALA HB . 27313 1 1785 . 1 1 169 169 ALA HB2 H 1 1.456 0.002 . 1 . . . . . 190 ALA HB . 27313 1 1786 . 1 1 169 169 ALA HB3 H 1 1.456 0.002 . 1 . . . . . 190 ALA HB . 27313 1 1787 . 1 1 169 169 ALA CA C 13 53.165 0.008 . 1 . . . . . 190 ALA CA . 27313 1 1788 . 1 1 169 169 ALA CB C 13 19.162 0.000 . 1 . . . . . 190 ALA CB . 27313 1 1789 . 1 1 169 169 ALA N N 15 122.374 0.007 . 1 . . . . . 190 ALA N . 27313 1 1790 . 1 1 170 170 THR H H 1 8.388 0.003 . 1 . . . . . 191 THR H . 27313 1 1791 . 1 1 170 170 THR HA H 1 4.399 0.002 . 1 . . . . . 191 THR HA . 27313 1 1792 . 1 1 170 170 THR HB H 1 4.029 0.001 . 1 . . . . . 191 THR HB . 27313 1 1793 . 1 1 170 170 THR HG21 H 1 1.121 0.000 . 1 . . . . . 191 THR QG2 . 27313 1 1794 . 1 1 170 170 THR HG22 H 1 1.121 0.000 . 1 . . . . . 191 THR QG2 . 27313 1 1795 . 1 1 170 170 THR HG23 H 1 1.121 0.000 . 1 . . . . . 191 THR QG2 . 27313 1 1796 . 1 1 170 170 THR CA C 13 61.179 0.031 . 1 . . . . . 191 THR CA . 27313 1 1797 . 1 1 170 170 THR CB C 13 70.175 0.014 . 1 . . . . . 191 THR CB . 27313 1 1798 . 1 1 170 170 THR CG2 C 13 21.340 0.022 . 1 . . . . . 191 THR CG2 . 27313 1 1799 . 1 1 170 170 THR N N 15 117.656 0.010 . 1 . . . . . 191 THR N . 27313 1 1800 . 1 1 171 171 VAL H H 1 8.555 0.000 . 1 . . . . . 192 VAL H . 27313 1 1801 . 1 1 171 171 VAL HA H 1 4.076 0.000 . 1 . . . . . 192 VAL HA . 27313 1 1802 . 1 1 171 171 VAL HB H 1 1.885 0.001 . 1 . . . . . 192 VAL HB . 27313 1 1803 . 1 1 171 171 VAL HG11 H 1 0.781 0.000 . 2 . . . . . 192 VAL QG1 . 27313 1 1804 . 1 1 171 171 VAL HG12 H 1 0.781 0.000 . 2 . . . . . 192 VAL QG1 . 27313 1 1805 . 1 1 171 171 VAL HG13 H 1 0.781 0.000 . 2 . . . . . 192 VAL QG1 . 27313 1 1806 . 1 1 171 171 VAL HG21 H 1 0.873 0.001 . 2 . . . . . 192 VAL QG2 . 27313 1 1807 . 1 1 171 171 VAL HG22 H 1 0.873 0.001 . 2 . . . . . 192 VAL QG2 . 27313 1 1808 . 1 1 171 171 VAL HG23 H 1 0.873 0.001 . 2 . . . . . 192 VAL QG2 . 27313 1 1809 . 1 1 171 171 VAL CA C 13 61.950 0.019 . 1 . . . . . 192 VAL CA . 27313 1 1810 . 1 1 171 171 VAL CB C 13 32.596 0.022 . 1 . . . . . 192 VAL CB . 27313 1 1811 . 1 1 171 171 VAL CG1 C 13 21.953 0.016 . 1 . . . . . 192 VAL CG1 . 27313 1 1812 . 1 1 171 171 VAL CG2 C 13 20.685 0.015 . 1 . . . . . 192 VAL CG2 . 27313 1 1813 . 1 1 171 171 VAL N N 15 127.344 0.004 . 1 . . . . . 192 VAL N . 27313 1 1814 . 1 1 172 172 SER H H 1 8.224 0.003 . 1 . . . . . 193 SER H . 27313 1 1815 . 1 1 172 172 SER HA H 1 4.221 0.000 . 1 . . . . . 193 SER HA . 27313 1 1816 . 1 1 172 172 SER HB2 H 1 3.564 0.002 . 2 . . . . . 193 SER QB . 27313 1 1817 . 1 1 172 172 SER HB3 H 1 3.564 0.002 . 2 . . . . . 193 SER QB . 27313 1 1818 . 1 1 172 172 SER CA C 13 55.877 0.001 . 1 . . . . . 193 SER CA . 27313 1 1819 . 1 1 172 172 SER CB C 13 64.763 0.008 . 1 . . . . . 193 SER CB . 27313 1 1820 . 1 1 172 172 SER N N 15 122.440 0.021 . 1 . . . . . 193 SER N . 27313 1 1821 . 1 1 173 173 PRO HA H 1 4.719 0.006 . 1 . . . . . 194 PRO HA . 27313 1 1822 . 1 1 173 173 PRO HB2 H 1 2.346 0.004 . 2 . . . . . 194 PRO HB2 . 27313 1 1823 . 1 1 173 173 PRO HB3 H 1 1.462 0.001 . 2 . . . . . 194 PRO HB3 . 27313 1 1824 . 1 1 173 173 PRO HG2 H 1 0.559 0.003 . 2 . . . . . 194 PRO HG2 . 27313 1 1825 . 1 1 173 173 PRO HG3 H 1 1.617 0.000 . 2 . . . . . 194 PRO HG3 . 27313 1 1826 . 1 1 173 173 PRO HD2 H 1 3.353 0.006 . 2 . . . . . 194 PRO QD . 27313 1 1827 . 1 1 173 173 PRO HD3 H 1 3.353 0.006 . 2 . . . . . 194 PRO QD . 27313 1 1828 . 1 1 173 173 PRO CA C 13 62.977 0.022 . 1 . . . . . 194 PRO CA . 27313 1 1829 . 1 1 173 173 PRO CB C 13 35.124 0.083 . 1 . . . . . 194 PRO CB . 27313 1 1830 . 1 1 173 173 PRO CG C 13 24.750 0.173 . 1 . . . . . 194 PRO CG . 27313 1 1831 . 1 1 173 173 PRO CD C 13 49.514 0.064 . 1 . . . . . 194 PRO CD . 27313 1 1832 . 1 1 174 174 ALA H H 1 8.744 0.008 . 1 . . . . . 195 ALA H . 27313 1 1833 . 1 1 174 174 ALA HA H 1 3.807 0.000 . 1 . . . . . 195 ALA HA . 27313 1 1834 . 1 1 174 174 ALA HB1 H 1 1.432 0.003 . 1 . . . . . 195 ALA HB . 27313 1 1835 . 1 1 174 174 ALA HB2 H 1 1.432 0.003 . 1 . . . . . 195 ALA HB . 27313 1 1836 . 1 1 174 174 ALA HB3 H 1 1.432 0.003 . 1 . . . . . 195 ALA HB . 27313 1 1837 . 1 1 174 174 ALA CA C 13 55.559 0.001 . 1 . . . . . 195 ALA CA . 27313 1 1838 . 1 1 174 174 ALA CB C 13 18.402 0.024 . 1 . . . . . 195 ALA CB . 27313 1 1839 . 1 1 174 174 ALA N N 15 120.862 0.024 . 1 . . . . . 195 ALA N . 27313 1 1840 . 1 1 175 175 TYR H H 1 6.238 0.003 . 1 . . . . . 196 TYR H . 27313 1 1841 . 1 1 175 175 TYR HA H 1 4.576 0.004 . 1 . . . . . 196 TYR HA . 27313 1 1842 . 1 1 175 175 TYR HB2 H 1 3.296 0.005 . 2 . . . . . 196 TYR HB2 . 27313 1 1843 . 1 1 175 175 TYR HB3 H 1 2.604 0.009 . 2 . . . . . 196 TYR HB3 . 27313 1 1844 . 1 1 175 175 TYR HD1 H 1 6.996 0.001 . 3 . . . . . 196 TYR QD . 27313 1 1845 . 1 1 175 175 TYR HD2 H 1 6.996 0.001 . 3 . . . . . 196 TYR QD . 27313 1 1846 . 1 1 175 175 TYR HE1 H 1 6.913 0.007 . 3 . . . . . 196 TYR QE . 27313 1 1847 . 1 1 175 175 TYR HE2 H 1 6.913 0.007 . 3 . . . . . 196 TYR QE . 27313 1 1848 . 1 1 175 175 TYR CA C 13 55.272 0.012 . 1 . . . . . 196 TYR CA . 27313 1 1849 . 1 1 175 175 TYR CB C 13 36.640 0.009 . 1 . . . . . 196 TYR CB . 27313 1 1850 . 1 1 175 175 TYR CD1 C 13 133.943 0.013 . 1 . . . . . 196 TYR CD1 . 27313 1 1851 . 1 1 175 175 TYR CE1 C 13 119.143 0.003 . 1 . . . . . 196 TYR CE1 . 27313 1 1852 . 1 1 175 175 TYR N N 15 105.220 0.009 . 1 . . . . . 196 TYR N . 27313 1 1853 . 1 1 176 176 ALA H H 1 7.505 0.002 . 1 . . . . . 197 ALA H . 27313 1 1854 . 1 1 176 176 ALA HA H 1 4.572 0.000 . 1 . . . . . 197 ALA HA . 27313 1 1855 . 1 1 176 176 ALA HB1 H 1 1.220 0.003 . 1 . . . . . 197 ALA HB . 27313 1 1856 . 1 1 176 176 ALA HB2 H 1 1.220 0.003 . 1 . . . . . 197 ALA HB . 27313 1 1857 . 1 1 176 176 ALA HB3 H 1 1.220 0.003 . 1 . . . . . 197 ALA HB . 27313 1 1858 . 1 1 176 176 ALA CA C 13 51.721 0.014 . 1 . . . . . 197 ALA CA . 27313 1 1859 . 1 1 176 176 ALA CB C 13 16.756 0.018 . 1 . . . . . 197 ALA CB . 27313 1 1860 . 1 1 176 176 ALA N N 15 128.906 0.015 . 1 . . . . . 197 ALA N . 27313 1 1861 . 1 1 177 177 PRO HA H 1 4.244 0.000 . 1 . . . . . 198 PRO HA . 27313 1 1862 . 1 1 177 177 PRO HB2 H 1 2.106 0.000 . 2 . . . . . 198 PRO HB2 . 27313 1 1863 . 1 1 177 177 PRO HB3 H 1 1.691 0.000 . 2 . . . . . 198 PRO HB3 . 27313 1 1864 . 1 1 177 177 PRO HG2 H 1 1.054 0.000 . 2 . . . . . 198 PRO HG2 . 27313 1 1865 . 1 1 177 177 PRO HG3 H 1 1.351 0.007 . 2 . . . . . 198 PRO HG3 . 27313 1 1866 . 1 1 177 177 PRO HD2 H 1 3.560 0.000 . 2 . . . . . 198 PRO HD2 . 27313 1 1867 . 1 1 177 177 PRO HD3 H 1 3.365 0.000 . 2 . . . . . 198 PRO HD3 . 27313 1 1868 . 1 1 177 177 PRO CA C 13 64.367 0.006 . 1 . . . . . 198 PRO CA . 27313 1 1869 . 1 1 177 177 PRO CB C 13 31.033 0.058 . 1 . . . . . 198 PRO CB . 27313 1 1870 . 1 1 177 177 PRO CG C 13 28.031 0.058 . 1 . . . . . 198 PRO CG . 27313 1 1871 . 1 1 177 177 PRO CD C 13 49.239 0.025 . 1 . . . . . 198 PRO CD . 27313 1 1872 . 1 1 178 178 HIS H H 1 9.411 0.009 . 1 . . . . . 199 HIS H . 27313 1 1873 . 1 1 178 178 HIS HA H 1 5.233 0.008 . 1 . . . . . 199 HIS HA . 27313 1 1874 . 1 1 178 178 HIS HB2 H 1 3.015 0.004 . 2 . . . . . 199 HIS HB2 . 27313 1 1875 . 1 1 178 178 HIS HB3 H 1 3.716 0.006 . 2 . . . . . 199 HIS HB3 . 27313 1 1876 . 1 1 178 178 HIS HD2 H 1 7.312 0.007 . 4 . . . . . 199 HIS HD2 . 27313 1 1877 . 1 1 178 178 HIS HE1 H 1 8.268 0.013 . 4 . . . . . 199 HIS HE1 . 27313 1 1878 . 1 1 178 178 HIS CA C 13 55.952 0.015 . 1 . . . . . 199 HIS CA . 27313 1 1879 . 1 1 178 178 HIS CB C 13 28.225 0.035 . 1 . . . . . 199 HIS CB . 27313 1 1880 . 1 1 178 178 HIS CD2 C 13 121.429 0.096 . 1 . . . . . 199 HIS CD2 . 27313 1 1881 . 1 1 178 178 HIS CE1 C 13 134.921 0.015 . 1 . . . . . 199 HIS CE1 . 27313 1 1882 . 1 1 178 178 HIS N N 15 117.047 0.016 . 1 . . . . . 199 HIS N . 27313 1 1883 . 1 1 179 179 TRP H H 1 7.022 0.004 . 1 . . . . . 200 TRP H . 27313 1 1884 . 1 1 179 179 TRP HA H 1 4.761 0.000 . 1 . . . . . 200 TRP HA . 27313 1 1885 . 1 1 179 179 TRP HB2 H 1 3.760 0.000 . 2 . . . . . 200 TRP HB2 . 27313 1 1886 . 1 1 179 179 TRP HB3 H 1 3.230 0.000 . 2 . . . . . 200 TRP HB3 . 27313 1 1887 . 1 1 179 179 TRP HD1 H 1 7.354 0.005 . 1 . . . . . 200 TRP HD1 . 27313 1 1888 . 1 1 179 179 TRP HE1 H 1 10.404 0.006 . 1 . . . . . 200 TRP HE1 . 27313 1 1889 . 1 1 179 179 TRP HE3 H 1 7.373 0.004 . 1 . . . . . 200 TRP HE3 . 27313 1 1890 . 1 1 179 179 TRP HZ2 H 1 7.525 0.010 . 1 . . . . . 200 TRP HZ2 . 27313 1 1891 . 1 1 179 179 TRP HZ3 H 1 7.205 0.002 . 1 . . . . . 200 TRP HZ3 . 27313 1 1892 . 1 1 179 179 TRP HH2 H 1 7.464 0.003 . 1 . . . . . 200 TRP HH2 . 27313 1 1893 . 1 1 179 179 TRP CA C 13 54.566 0.004 . 1 . . . . . 200 TRP CA . 27313 1 1894 . 1 1 179 179 TRP CB C 13 30.385 0.058 . 1 . . . . . 200 TRP CB . 27313 1 1895 . 1 1 179 179 TRP CD1 C 13 125.731 0.019 . 1 . . . . . 200 TRP CD1 . 27313 1 1896 . 1 1 179 179 TRP CE3 C 13 121.656 0.069 . 1 . . . . . 200 TRP CE3 . 27313 1 1897 . 1 1 179 179 TRP CZ2 C 13 114.353 0.025 . 1 . . . . . 200 TRP CZ2 . 27313 1 1898 . 1 1 179 179 TRP CZ3 C 13 121.231 0.084 . 1 . . . . . 200 TRP CZ3 . 27313 1 1899 . 1 1 179 179 TRP CH2 C 13 125.263 0.031 . 1 . . . . . 200 TRP CH2 . 27313 1 1900 . 1 1 179 179 TRP N N 15 119.802 0.009 . 1 . . . . . 200 TRP N . 27313 1 1901 . 1 1 179 179 TRP NE1 N 15 129.581 0.010 . 1 . . . . . 200 TRP NE1 . 27313 1 1902 . 1 1 180 180 GLY H H 1 9.281 0.007 . 1 . . . . . 201 GLY H . 27313 1 1903 . 1 1 180 180 GLY HA2 H 1 3.998 0.002 . 2 . . . . . 201 GLY HA2 . 27313 1 1904 . 1 1 180 180 GLY HA3 H 1 4.235 0.003 . 2 . . . . . 201 GLY HA3 . 27313 1 1905 . 1 1 180 180 GLY CA C 13 46.971 0.006 . 1 . . . . . 201 GLY CA . 27313 1 1906 . 1 1 180 180 GLY N N 15 108.591 0.009 . 1 . . . . . 201 GLY N . 27313 1 1907 . 1 1 181 181 GLU H H 1 8.232 0.009 . 1 . . . . . 202 GLU H . 27313 1 1908 . 1 1 181 181 GLU HA H 1 2.241 0.002 . 1 . . . . . 202 GLU HA . 27313 1 1909 . 1 1 181 181 GLU HB2 H 1 1.551 0.000 . 2 . . . . . 202 GLU HB2 . 27313 1 1910 . 1 1 181 181 GLU HB3 H 1 1.273 0.003 . 2 . . . . . 202 GLU HB3 . 27313 1 1911 . 1 1 181 181 GLU HG2 H 1 1.760 0.000 . 2 . . . . . 202 GLU HG2 . 27313 1 1912 . 1 1 181 181 GLU HG3 H 1 1.628 0.000 . 2 . . . . . 202 GLU HG3 . 27313 1 1913 . 1 1 181 181 GLU CA C 13 60.538 0.027 . 1 . . . . . 202 GLU CA . 27313 1 1914 . 1 1 181 181 GLU CB C 13 29.337 0.045 . 1 . . . . . 202 GLU CB . 27313 1 1915 . 1 1 181 181 GLU CG C 13 36.393 0.020 . 1 . . . . . 202 GLU CG . 27313 1 1916 . 1 1 181 181 GLU N N 15 123.722 0.046 . 1 . . . . . 202 GLU N . 27313 1 1917 . 1 1 182 182 GLN H H 1 8.467 0.001 . 1 . . . . . 203 GLN H . 27313 1 1918 . 1 1 182 182 GLN HA H 1 3.825 0.003 . 1 . . . . . 203 GLN HA . 27313 1 1919 . 1 1 182 182 GLN HB2 H 1 1.983 0.001 . 2 . . . . . 203 GLN QB . 27313 1 1920 . 1 1 182 182 GLN HB3 H 1 1.983 0.001 . 2 . . . . . 203 GLN QB . 27313 1 1921 . 1 1 182 182 GLN HG2 H 1 2.376 0.000 . 2 . . . . . 203 GLN HG2 . 27313 1 1922 . 1 1 182 182 GLN HG3 H 1 2.355 0.000 . 2 . . . . . 203 GLN HG3 . 27313 1 1923 . 1 1 182 182 GLN CA C 13 59.070 0.016 . 1 . . . . . 203 GLN CA . 27313 1 1924 . 1 1 182 182 GLN CB C 13 27.557 0.017 . 1 . . . . . 203 GLN CB . 27313 1 1925 . 1 1 182 182 GLN CG C 13 33.764 0.034 . 1 . . . . . 203 GLN CG . 27313 1 1926 . 1 1 182 182 GLN N N 15 116.245 0.015 . 1 . . . . . 203 GLN N . 27313 1 1927 . 1 1 183 183 GLN H H 1 7.748 0.005 . 1 . . . . . 204 GLN H . 27313 1 1928 . 1 1 183 183 GLN HA H 1 3.939 0.003 . 1 . . . . . 204 GLN HA . 27313 1 1929 . 1 1 183 183 GLN HB2 H 1 1.798 0.001 . 2 . . . . . 204 GLN HB2 . 27313 1 1930 . 1 1 183 183 GLN HB3 H 1 1.968 0.000 . 2 . . . . . 204 GLN HB3 . 27313 1 1931 . 1 1 183 183 GLN HG2 H 1 2.345 0.003 . 2 . . . . . 204 GLN HG2 . 27313 1 1932 . 1 1 183 183 GLN HG3 H 1 2.536 0.006 . 2 . . . . . 204 GLN HG3 . 27313 1 1933 . 1 1 183 183 GLN HE21 H 1 7.528 0.002 . 2 . . . . . 204 GLN HE21 . 27313 1 1934 . 1 1 183 183 GLN HE22 H 1 6.949 0.004 . 2 . . . . . 204 GLN HE22 . 27313 1 1935 . 1 1 183 183 GLN CA C 13 59.605 0.040 . 1 . . . . . 204 GLN CA . 27313 1 1936 . 1 1 183 183 GLN CB C 13 28.334 0.029 . 1 . . . . . 204 GLN CB . 27313 1 1937 . 1 1 183 183 GLN CG C 13 35.341 0.067 . 1 . . . . . 204 GLN CG . 27313 1 1938 . 1 1 183 183 GLN N N 15 119.648 0.023 . 1 . . . . . 204 GLN N . 27313 1 1939 . 1 1 183 183 GLN NE2 N 15 111.753 0.012 . 1 . . . . . 204 GLN NE2 . 27313 1 1940 . 1 1 184 184 ALA H H 1 8.444 0.002 . 1 . . . . . 205 ALA H . 27313 1 1941 . 1 1 184 184 ALA HA H 1 4.132 0.000 . 1 . . . . . 205 ALA HA . 27313 1 1942 . 1 1 184 184 ALA HB1 H 1 1.459 0.000 . 1 . . . . . 205 ALA HB . 27313 1 1943 . 1 1 184 184 ALA HB2 H 1 1.459 0.000 . 1 . . . . . 205 ALA HB . 27313 1 1944 . 1 1 184 184 ALA HB3 H 1 1.459 0.000 . 1 . . . . . 205 ALA HB . 27313 1 1945 . 1 1 184 184 ALA CA C 13 55.823 0.000 . 1 . . . . . 205 ALA CA . 27313 1 1946 . 1 1 184 184 ALA CB C 13 18.798 0.000 . 1 . . . . . 205 ALA CB . 27313 1 1947 . 1 1 184 184 ALA N N 15 125.719 0.011 . 1 . . . . . 205 ALA N . 27313 1 1948 . 1 1 185 185 ARG H H 1 8.258 0.001 . 1 . . . . . 206 ARG H . 27313 1 1949 . 1 1 185 185 ARG HA H 1 3.878 0.013 . 1 . . . . . 206 ARG HA . 27313 1 1950 . 1 1 185 185 ARG HB2 H 1 1.835 0.003 . 2 . . . . . 206 ARG HB2 . 27313 1 1951 . 1 1 185 185 ARG HB3 H 1 1.606 0.005 . 2 . . . . . 206 ARG HB3 . 27313 1 1952 . 1 1 185 185 ARG HD2 H 1 3.172 0.000 . 2 . . . . . 206 ARG HD2 . 27313 1 1953 . 1 1 185 185 ARG HD3 H 1 3.051 0.001 . 2 . . . . . 206 ARG HD3 . 27313 1 1954 . 1 1 185 185 ARG CA C 13 60.316 0.095 . 1 . . . . . 206 ARG CA . 27313 1 1955 . 1 1 185 185 ARG CB C 13 29.722 0.052 . 1 . . . . . 206 ARG CB . 27313 1 1956 . 1 1 185 185 ARG CD C 13 43.243 0.015 . 1 . . . . . 206 ARG CD . 27313 1 1957 . 1 1 185 185 ARG N N 15 118.599 0.017 . 1 . . . . . 206 ARG N . 27313 1 1958 . 1 1 186 186 GLN H H 1 7.902 0.003 . 1 . . . . . 207 GLN H . 27313 1 1959 . 1 1 186 186 GLN HA H 1 4.086 0.001 . 1 . . . . . 207 GLN HA . 27313 1 1960 . 1 1 186 186 GLN HB2 H 1 2.174 0.009 . 2 . . . . . 207 GLN QB . 27313 1 1961 . 1 1 186 186 GLN HB3 H 1 2.174 0.009 . 2 . . . . . 207 GLN QB . 27313 1 1962 . 1 1 186 186 GLN HG2 H 1 2.512 0.004 . 2 . . . . . 207 GLN HG2 . 27313 1 1963 . 1 1 186 186 GLN HG3 H 1 2.403 0.010 . 2 . . . . . 207 GLN HG3 . 27313 1 1964 . 1 1 186 186 GLN HE21 H 1 7.338 0.003 . 2 . . . . . 207 GLN HE21 . 27313 1 1965 . 1 1 186 186 GLN HE22 H 1 6.782 0.006 . 2 . . . . . 207 GLN HE22 . 27313 1 1966 . 1 1 186 186 GLN CA C 13 58.917 0.045 . 1 . . . . . 207 GLN CA . 27313 1 1967 . 1 1 186 186 GLN CB C 13 28.253 0.017 . 1 . . . . . 207 GLN CB . 27313 1 1968 . 1 1 186 186 GLN CG C 13 34.074 0.025 . 1 . . . . . 207 GLN CG . 27313 1 1969 . 1 1 186 186 GLN N N 15 119.691 0.013 . 1 . . . . . 207 GLN N . 27313 1 1970 . 1 1 186 186 GLN NE2 N 15 111.201 0.031 . 1 . . . . . 207 GLN NE2 . 27313 1 1971 . 1 1 187 187 LEU H H 1 8.311 0.003 . 1 . . . . . 208 LEU H . 27313 1 1972 . 1 1 187 187 LEU HA H 1 4.183 0.007 . 1 . . . . . 208 LEU HA . 27313 1 1973 . 1 1 187 187 LEU HB2 H 1 2.005 0.003 . 2 . . . . . 208 LEU HB2 . 27313 1 1974 . 1 1 187 187 LEU HB3 H 1 2.075 0.001 . 2 . . . . . 208 LEU HB3 . 27313 1 1975 . 1 1 187 187 LEU HG H 1 1.696 0.002 . 1 . . . . . 208 LEU HG . 27313 1 1976 . 1 1 187 187 LEU HD11 H 1 0.985 0.000 . 2 . . . . . 208 LEU QD1 . 27313 1 1977 . 1 1 187 187 LEU HD12 H 1 0.985 0.000 . 2 . . . . . 208 LEU QD1 . 27313 1 1978 . 1 1 187 187 LEU HD13 H 1 0.985 0.000 . 2 . . . . . 208 LEU QD1 . 27313 1 1979 . 1 1 187 187 LEU HD21 H 1 0.951 0.000 . 2 . . . . . 208 LEU QD2 . 27313 1 1980 . 1 1 187 187 LEU HD22 H 1 0.951 0.000 . 2 . . . . . 208 LEU QD2 . 27313 1 1981 . 1 1 187 187 LEU HD23 H 1 0.951 0.000 . 2 . . . . . 208 LEU QD2 . 27313 1 1982 . 1 1 187 187 LEU CA C 13 58.277 0.017 . 1 . . . . . 208 LEU CA . 27313 1 1983 . 1 1 187 187 LEU CB C 13 41.930 0.048 . 1 . . . . . 208 LEU CB . 27313 1 1984 . 1 1 187 187 LEU CG C 13 27.724 0.039 . 1 . . . . . 208 LEU CG . 27313 1 1985 . 1 1 187 187 LEU CD1 C 13 25.845 0.042 . 1 . . . . . 208 LEU CD1 . 27313 1 1986 . 1 1 187 187 LEU CD2 C 13 27.499 0.021 . 1 . . . . . 208 LEU CD2 . 27313 1 1987 . 1 1 187 187 LEU N N 15 122.565 0.025 . 1 . . . . . 208 LEU N . 27313 1 1988 . 1 1 188 188 LEU H H 1 8.339 0.004 . 1 . . . . . 209 LEU H . 27313 1 1989 . 1 1 188 188 LEU HA H 1 3.894 0.005 . 1 . . . . . 209 LEU HA . 27313 1 1990 . 1 1 188 188 LEU HB2 H 1 1.447 0.003 . 2 . . . . . 209 LEU HB2 . 27313 1 1991 . 1 1 188 188 LEU HB3 H 1 2.114 0.006 . 2 . . . . . 209 LEU HB3 . 27313 1 1992 . 1 1 188 188 LEU HG H 1 1.533 0.000 . 1 . . . . . 209 LEU HG . 27313 1 1993 . 1 1 188 188 LEU HD11 H 1 0.895 0.000 . 2 . . . . . 209 LEU QD1 . 27313 1 1994 . 1 1 188 188 LEU HD12 H 1 0.895 0.000 . 2 . . . . . 209 LEU QD1 . 27313 1 1995 . 1 1 188 188 LEU HD13 H 1 0.895 0.000 . 2 . . . . . 209 LEU QD1 . 27313 1 1996 . 1 1 188 188 LEU HD21 H 1 0.967 0.000 . 2 . . . . . 209 LEU QD2 . 27313 1 1997 . 1 1 188 188 LEU HD22 H 1 0.967 0.000 . 2 . . . . . 209 LEU QD2 . 27313 1 1998 . 1 1 188 188 LEU HD23 H 1 0.967 0.000 . 2 . . . . . 209 LEU QD2 . 27313 1 1999 . 1 1 188 188 LEU CA C 13 58.900 0.026 . 1 . . . . . 209 LEU CA . 27313 1 2000 . 1 1 188 188 LEU CB C 13 41.418 0.052 . 1 . . . . . 209 LEU CB . 27313 1 2001 . 1 1 188 188 LEU CG C 13 27.414 0.000 . 1 . . . . . 209 LEU CG . 27313 1 2002 . 1 1 188 188 LEU CD1 C 13 24.558 0.026 . 2 . . . . . 209 LEU CD1 . 27313 1 2003 . 1 1 188 188 LEU CD2 C 13 26.344 0.006 . 2 . . . . . 209 LEU CD2 . 27313 1 2004 . 1 1 188 188 LEU N N 15 120.512 0.017 . 1 . . . . . 209 LEU N . 27313 1 2005 . 1 1 189 189 MET H H 1 7.480 0.003 . 1 . . . . . 210 MET H . 27313 1 2006 . 1 1 189 189 MET HA H 1 4.059 0.003 . 1 . . . . . 210 MET HA . 27313 1 2007 . 1 1 189 189 MET HB2 H 1 2.746 0.003 . 2 . . . . . 210 MET HB2 . 27313 1 2008 . 1 1 189 189 MET HB3 H 1 2.626 0.000 . 2 . . . . . 210 MET HB3 . 27313 1 2009 . 1 1 189 189 MET HG2 H 1 2.223 0.000 . 2 . . . . . 210 MET HG2 . 27313 1 2010 . 1 1 189 189 MET HG3 H 1 2.189 0.000 . 2 . . . . . 210 MET HG3 . 27313 1 2011 . 1 1 189 189 MET CA C 13 58.836 0.049 . 1 . . . . . 210 MET CA . 27313 1 2012 . 1 1 189 189 MET CB C 13 32.256 0.008 . 1 . . . . . 210 MET CB . 27313 1 2013 . 1 1 189 189 MET CG C 13 32.072 0.027 . 1 . . . . . 210 MET CG . 27313 1 2014 . 1 1 189 189 MET N N 15 115.857 0.029 . 1 . . . . . 210 MET N . 27313 1 2015 . 1 1 190 190 LEU H H 1 7.907 0.000 . 1 . . . . . 211 LEU H . 27313 1 2016 . 1 1 190 190 LEU HA H 1 4.168 0.000 . 1 . . . . . 211 LEU HA . 27313 1 2017 . 1 1 190 190 LEU HB2 H 1 1.981 0.002 . 2 . . . . . 211 LEU HB2 . 27313 1 2018 . 1 1 190 190 LEU HB3 H 1 1.797 0.002 . 2 . . . . . 211 LEU HB3 . 27313 1 2019 . 1 1 190 190 LEU HG H 1 1.784 0.001 . 1 . . . . . 211 LEU HG . 27313 1 2020 . 1 1 190 190 LEU HD11 H 1 0.952 0.001 . 2 . . . . . 211 LEU QD1 . 27313 1 2021 . 1 1 190 190 LEU HD12 H 1 0.952 0.001 . 2 . . . . . 211 LEU QD1 . 27313 1 2022 . 1 1 190 190 LEU HD13 H 1 0.952 0.001 . 2 . . . . . 211 LEU QD1 . 27313 1 2023 . 1 1 190 190 LEU HD21 H 1 0.915 0.001 . 2 . . . . . 211 LEU QD2 . 27313 1 2024 . 1 1 190 190 LEU HD22 H 1 0.915 0.001 . 2 . . . . . 211 LEU QD2 . 27313 1 2025 . 1 1 190 190 LEU HD23 H 1 0.915 0.001 . 2 . . . . . 211 LEU QD2 . 27313 1 2026 . 1 1 190 190 LEU CA C 13 57.973 0.030 . 1 . . . . . 211 LEU CA . 27313 1 2027 . 1 1 190 190 LEU CB C 13 42.277 0.068 . 1 . . . . . 211 LEU CB . 27313 1 2028 . 1 1 190 190 LEU CG C 13 26.958 0.072 . 1 . . . . . 211 LEU CG . 27313 1 2029 . 1 1 190 190 LEU CD1 C 13 25.057 0.052 . 1 . . . . . 211 LEU CD1 . 27313 1 2030 . 1 1 190 190 LEU CD2 C 13 24.347 0.044 . 1 . . . . . 211 LEU CD2 . 27313 1 2031 . 1 1 190 190 LEU N N 15 120.717 0.000 . 1 . . . . . 211 LEU N . 27313 1 2032 . 1 1 191 191 CYS H H 1 8.138 0.006 . 1 . . . . . 212 CYS H . 27313 1 2033 . 1 1 191 191 CYS HA H 1 4.080 0.000 . 1 . . . . . 212 CYS HA . 27313 1 2034 . 1 1 191 191 CYS HB2 H 1 3.150 0.000 . 2 . . . . . 212 CYS HB2 . 27313 1 2035 . 1 1 191 191 CYS HB3 H 1 2.812 0.001 . 2 . . . . . 212 CYS HB3 . 27313 1 2036 . 1 1 191 191 CYS CA C 13 63.386 0.035 . 1 . . . . . 212 CYS CA . 27313 1 2037 . 1 1 191 191 CYS CB C 13 28.089 0.050 . 1 . . . . . 212 CYS CB . 27313 1 2038 . 1 1 191 191 CYS N N 15 115.710 0.025 . 1 . . . . . 212 CYS N . 27313 1 2039 . 1 1 192 192 LYS H H 1 7.674 0.002 . 1 . . . . . 213 LYS H . 27313 1 2040 . 1 1 192 192 LYS HA H 1 4.170 0.004 . 1 . . . . . 213 LYS HA . 27313 1 2041 . 1 1 192 192 LYS HB2 H 1 1.912 0.000 . 2 . . . . . 213 LYS HB2 . 27313 1 2042 . 1 1 192 192 LYS HB3 H 1 1.734 0.003 . 2 . . . . . 213 LYS HB3 . 27313 1 2043 . 1 1 192 192 LYS HG2 H 1 1.571 0.000 . 2 . . . . . 213 LYS HG2 . 27313 1 2044 . 1 1 192 192 LYS HG3 H 1 1.403 0.001 . 2 . . . . . 213 LYS HG3 . 27313 1 2045 . 1 1 192 192 LYS HD2 H 1 1.628 0.006 . 2 . . . . . 213 LYS QD . 27313 1 2046 . 1 1 192 192 LYS HD3 H 1 1.628 0.006 . 2 . . . . . 213 LYS QD . 27313 1 2047 . 1 1 192 192 LYS HE2 H 1 2.893 0.000 . 2 . . . . . 213 LYS QE . 27313 1 2048 . 1 1 192 192 LYS HE3 H 1 2.893 0.000 . 2 . . . . . 213 LYS QE . 27313 1 2049 . 1 1 192 192 LYS CA C 13 57.013 0.020 . 1 . . . . . 213 LYS CA . 27313 1 2050 . 1 1 192 192 LYS CB C 13 33.291 0.037 . 1 . . . . . 213 LYS CB . 27313 1 2051 . 1 1 192 192 LYS CG C 13 25.668 0.040 . 1 . . . . . 213 LYS CG . 27313 1 2052 . 1 1 192 192 LYS CD C 13 29.261 0.049 . 1 . . . . . 213 LYS CD . 27313 1 2053 . 1 1 192 192 LYS CE C 13 41.774 0.025 . 1 . . . . . 213 LYS CE . 27313 1 2054 . 1 1 192 192 LYS N N 15 117.560 0.017 . 1 . . . . . 213 LYS N . 27313 1 2055 . 1 1 193 193 ALA H H 1 7.582 0.002 . 1 . . . . . 214 ALA H . 27313 1 2056 . 1 1 193 193 ALA HA H 1 4.245 0.001 . 1 . . . . . 214 ALA HA . 27313 1 2057 . 1 1 193 193 ALA HB1 H 1 1.456 0.001 . 1 . . . . . 214 ALA HB . 27313 1 2058 . 1 1 193 193 ALA HB2 H 1 1.456 0.001 . 1 . . . . . 214 ALA HB . 27313 1 2059 . 1 1 193 193 ALA HB3 H 1 1.456 0.001 . 1 . . . . . 214 ALA HB . 27313 1 2060 . 1 1 193 193 ALA CA C 13 53.145 0.036 . 1 . . . . . 214 ALA CA . 27313 1 2061 . 1 1 193 193 ALA CB C 13 19.160 0.002 . 1 . . . . . 214 ALA CB . 27313 1 2062 . 1 1 193 193 ALA N N 15 123.416 0.012 . 1 . . . . . 214 ALA N . 27313 1 2063 . 1 1 194 194 GLU H H 1 8.386 0.003 . 1 . . . . . 215 GLU H . 27313 1 2064 . 1 1 194 194 GLU HA H 1 4.320 0.006 . 1 . . . . . 215 GLU HA . 27313 1 2065 . 1 1 194 194 GLU HB2 H 1 1.936 0.002 . 2 . . . . . 215 GLU HB2 . 27313 1 2066 . 1 1 194 194 GLU HB3 H 1 2.095 0.001 . 2 . . . . . 215 GLU HB3 . 27313 1 2067 . 1 1 194 194 GLU HG2 H 1 2.298 0.001 . 2 . . . . . 215 GLU HG2 . 27313 1 2068 . 1 1 194 194 GLU HG3 H 1 2.255 0.000 . 2 . . . . . 215 GLU HG3 . 27313 1 2069 . 1 1 194 194 GLU CA C 13 56.786 0.026 . 1 . . . . . 215 GLU CA . 27313 1 2070 . 1 1 194 194 GLU CB C 13 30.339 0.079 . 1 . . . . . 215 GLU CB . 27313 1 2071 . 1 1 194 194 GLU CG C 13 36.534 0.040 . 1 . . . . . 215 GLU CG . 27313 1 2072 . 1 1 194 194 GLU N N 15 120.190 0.009 . 1 . . . . . 215 GLU N . 27313 1 2073 . 1 1 195 195 THR H H 1 7.994 0.003 . 1 . . . . . 216 THR H . 27313 1 2074 . 1 1 195 195 THR HA H 1 4.329 0.006 . 1 . . . . . 216 THR HA . 27313 1 2075 . 1 1 195 195 THR HB H 1 4.218 0.000 . 1 . . . . . 216 THR HB . 27313 1 2076 . 1 1 195 195 THR HG21 H 1 1.186 0.000 . 1 . . . . . 216 THR QG2 . 27313 1 2077 . 1 1 195 195 THR HG22 H 1 1.186 0.000 . 1 . . . . . 216 THR QG2 . 27313 1 2078 . 1 1 195 195 THR HG23 H 1 1.186 0.000 . 1 . . . . . 216 THR QG2 . 27313 1 2079 . 1 1 195 195 THR CA C 13 61.821 0.100 . 1 . . . . . 216 THR CA . 27313 1 2080 . 1 1 195 195 THR CB C 13 69.887 0.025 . 1 . . . . . 216 THR CB . 27313 1 2081 . 1 1 195 195 THR CG2 C 13 21.741 0.029 . 1 . . . . . 216 THR CG2 . 27313 1 2082 . 1 1 195 195 THR N N 15 114.452 0.015 . 1 . . . . . 216 THR N . 27313 1 2083 . 1 1 196 196 GLN HA H 1 4.348 0.001 . 1 . . . . . 217 GLN HA . 27313 1 2084 . 1 1 196 196 GLN HB2 H 1 1.980 0.001 . 2 . . . . . 217 GLN HB2 . 27313 1 2085 . 1 1 196 196 GLN HB3 H 1 2.100 0.001 . 2 . . . . . 217 GLN HB3 . 27313 1 2086 . 1 1 196 196 GLN HG2 H 1 2.340 0.003 . 2 . . . . . 217 GLN QG . 27313 1 2087 . 1 1 196 196 GLN HG3 H 1 2.340 0.003 . 2 . . . . . 217 GLN QG . 27313 1 2088 . 1 1 196 196 GLN HE21 H 1 6.782 0.005 . 2 . . . . . 217 GLN HE21 . 27313 1 2089 . 1 1 196 196 GLN HE22 H 1 7.482 0.000 . 2 . . . . . 217 GLN HE22 . 27313 1 2090 . 1 1 196 196 GLN CA C 13 55.946 0.012 . 1 . . . . . 217 GLN CA . 27313 1 2091 . 1 1 196 196 GLN CB C 13 29.635 0.023 . 1 . . . . . 217 GLN CB . 27313 1 2092 . 1 1 196 196 GLN CG C 13 33.887 0.004 . 1 . . . . . 217 GLN CG . 27313 1 2093 . 1 1 196 196 GLN NE2 N 15 112.339 0.050 . 1 . . . . . 217 GLN NE2 . 27313 1 2094 . 1 1 197 197 GLU H H 1 8.345 0.003 . 1 . . . . . 218 GLU H . 27313 1 2095 . 1 1 197 197 GLU HA H 1 4.254 0.005 . 1 . . . . . 218 GLU HA . 27313 1 2096 . 1 1 197 197 GLU HB2 H 1 1.896 0.004 . 2 . . . . . 218 GLU HB2 . 27313 1 2097 . 1 1 197 197 GLU HB3 H 1 2.007 0.000 . 2 . . . . . 218 GLU HB3 . 27313 1 2098 . 1 1 197 197 GLU HG2 H 1 2.240 0.001 . 2 . . . . . 218 GLU HG2 . 27313 1 2099 . 1 1 197 197 GLU HG3 H 1 2.197 0.001 . 2 . . . . . 218 GLU HG3 . 27313 1 2100 . 1 1 197 197 GLU CA C 13 56.562 0.025 . 1 . . . . . 218 GLU CA . 27313 1 2101 . 1 1 197 197 GLU CB C 13 30.397 0.035 . 1 . . . . . 218 GLU CB . 27313 1 2102 . 1 1 197 197 GLU CG C 13 36.401 0.026 . 1 . . . . . 218 GLU CG . 27313 1 2103 . 1 1 197 197 GLU N N 15 122.357 0.010 . 1 . . . . . 218 GLU N . 27313 1 2104 . 1 1 198 198 LEU HA H 1 4.334 0.001 . 1 . . . . . 219 LEU HA . 27313 1 2105 . 1 1 198 198 LEU HB2 H 1 1.624 0.003 . 2 . . . . . 219 LEU HB2 . 27313 1 2106 . 1 1 198 198 LEU HB3 H 1 1.562 0.000 . 2 . . . . . 219 LEU HB3 . 27313 1 2107 . 1 1 198 198 LEU HG H 1 1.570 0.000 . 1 . . . . . 219 LEU HG . 27313 1 2108 . 1 1 198 198 LEU HD11 H 1 0.887 0.000 . 2 . . . . . 219 LEU QD1 . 27313 1 2109 . 1 1 198 198 LEU HD12 H 1 0.887 0.000 . 2 . . . . . 219 LEU QD1 . 27313 1 2110 . 1 1 198 198 LEU HD13 H 1 0.887 0.000 . 2 . . . . . 219 LEU QD1 . 27313 1 2111 . 1 1 198 198 LEU HD21 H 1 0.829 0.000 . 2 . . . . . 219 LEU QD2 . 27313 1 2112 . 1 1 198 198 LEU HD22 H 1 0.829 0.000 . 2 . . . . . 219 LEU QD2 . 27313 1 2113 . 1 1 198 198 LEU HD23 H 1 0.829 0.000 . 2 . . . . . 219 LEU QD2 . 27313 1 2114 . 1 1 198 198 LEU CA C 13 55.193 0.015 . 1 . . . . . 219 LEU CA . 27313 1 2115 . 1 1 198 198 LEU CB C 13 42.463 0.028 . 1 . . . . . 219 LEU CB . 27313 1 2116 . 1 1 198 198 LEU CG C 13 27.141 0.035 . 1 . . . . . 219 LEU CG . 27313 1 2117 . 1 1 198 198 LEU CD1 C 13 24.986 0.020 . 1 . . . . . 219 LEU CD1 . 27313 1 2118 . 1 1 198 198 LEU CD2 C 13 23.732 0.026 . 1 . . . . . 219 LEU CD2 . 27313 1 2119 . 1 1 199 199 VAL H H 1 7.915 0.003 . 1 . . . . . 220 VAL H . 27313 1 2120 . 1 1 199 199 VAL HA H 1 4.403 0.000 . 1 . . . . . 220 VAL HA . 27313 1 2121 . 1 1 199 199 VAL HB H 1 2.041 0.001 . 1 . . . . . 220 VAL HB . 27313 1 2122 . 1 1 199 199 VAL HG11 H 1 0.937 0.000 . 2 . . . . . 220 VAL QG1 . 27313 1 2123 . 1 1 199 199 VAL HG12 H 1 0.937 0.000 . 2 . . . . . 220 VAL QG1 . 27313 1 2124 . 1 1 199 199 VAL HG13 H 1 0.937 0.000 . 2 . . . . . 220 VAL QG1 . 27313 1 2125 . 1 1 199 199 VAL HG21 H 1 0.904 0.000 . 2 . . . . . 220 VAL QG2 . 27313 1 2126 . 1 1 199 199 VAL HG22 H 1 0.904 0.000 . 2 . . . . . 220 VAL QG2 . 27313 1 2127 . 1 1 199 199 VAL HG23 H 1 0.904 0.000 . 2 . . . . . 220 VAL QG2 . 27313 1 2128 . 1 1 199 199 VAL CA C 13 59.692 0.016 . 1 . . . . . 220 VAL CA . 27313 1 2129 . 1 1 199 199 VAL CB C 13 32.877 0.024 . 1 . . . . . 220 VAL CB . 27313 1 2130 . 1 1 199 199 VAL CG1 C 13 21.161 0.007 . 1 . . . . . 220 VAL CG1 . 27313 1 2131 . 1 1 199 199 VAL CG2 C 13 20.455 0.020 . 1 . . . . . 220 VAL CG2 . 27313 1 2132 . 1 1 199 199 VAL N N 15 122.500 0.002 . 1 . . . . . 220 VAL N . 27313 1 2133 . 1 1 200 200 PRO HA H 1 4.377 0.000 . 1 . . . . . 221 PRO HA . 27313 1 2134 . 1 1 200 200 PRO HB2 H 1 1.926 0.000 . 2 . . . . . 221 PRO HB2 . 27313 1 2135 . 1 1 200 200 PRO HB3 H 1 2.239 0.000 . 2 . . . . . 221 PRO HB3 . 27313 1 2136 . 1 1 200 200 PRO HG2 H 1 2.030 0.000 . 2 . . . . . 221 PRO HG2 . 27313 1 2137 . 1 1 200 200 PRO HG3 H 1 1.930 0.000 . 2 . . . . . 221 PRO HG3 . 27313 1 2138 . 1 1 200 200 PRO HD2 H 1 3.821 0.000 . 2 . . . . . 221 PRO HD2 . 27313 1 2139 . 1 1 200 200 PRO HD3 H 1 3.657 0.001 . 2 . . . . . 221 PRO HD3 . 27313 1 2140 . 1 1 200 200 PRO CA C 13 63.486 0.013 . 1 . . . . . 221 PRO CA . 27313 1 2141 . 1 1 200 200 PRO CB C 13 32.063 0.014 . 1 . . . . . 221 PRO CB . 27313 1 2142 . 1 1 200 200 PRO CG C 13 27.463 0.031 . 1 . . . . . 221 PRO CG . 27313 1 2143 . 1 1 200 200 PRO CD C 13 51.152 0.028 . 1 . . . . . 221 PRO CD . 27313 1 2144 . 1 1 201 201 ARG H H 1 7.854 0.002 . 1 . . . . . 222 ARG H . 27313 1 2145 . 1 1 201 201 ARG HA H 1 4.141 0.000 . 1 . . . . . 222 ARG HA . 27313 1 2146 . 1 1 201 201 ARG HB2 H 1 1.806 0.003 . 2 . . . . . 222 ARG HB2 . 27313 1 2147 . 1 1 201 201 ARG HB3 H 1 1.674 0.001 . 2 . . . . . 222 ARG HB3 . 27313 1 2148 . 1 1 201 201 ARG HG2 H 1 1.597 0.000 . 2 . . . . . 222 ARG QG . 27313 1 2149 . 1 1 201 201 ARG HG3 H 1 1.597 0.000 . 2 . . . . . 222 ARG QG . 27313 1 2150 . 1 1 201 201 ARG HD2 H 1 3.149 0.001 . 2 . . . . . 222 ARG QD . 27313 1 2151 . 1 1 201 201 ARG HD3 H 1 3.149 0.001 . 2 . . . . . 222 ARG QD . 27313 1 2152 . 1 1 201 201 ARG CA C 13 57.403 0.018 . 1 . . . . . 222 ARG CA . 27313 1 2153 . 1 1 201 201 ARG CB C 13 31.816 0.033 . 1 . . . . . 222 ARG CB . 27313 1 2154 . 1 1 201 201 ARG CG C 13 27.261 0.022 . 1 . . . . . 222 ARG CG . 27313 1 2155 . 1 1 201 201 ARG CD C 13 43.547 0.013 . 1 . . . . . 222 ARG CD . 27313 1 2156 . 1 1 201 201 ARG N N 15 126.928 0.006 . 1 . . . . . 222 ARG N . 27313 1 stop_ save_