data_19056 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19056 _Entry.Title ; 1H, 13C, 15N backbone and side chain NMR resonance assignments of the N-terminal NEAr iron Transporter (NEAT 1) domain of the IsdB hemoglobin receptor of Staphylococcus aureus ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2013-02-26 _Entry.Accession_date 2013-02-26 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Brittany Fonner . A. . 19056 2 Brian Tripet . P. . 19056 3 Mengyao Lui . . . 19056 4 Benfang Lei . . . 19056 5 Valerie Copie . . . 19056 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19056 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 419 19056 '15N chemical shifts' 132 19056 '1H chemical shifts' 730 19056 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 . . 2014-05-05 2013-02-26 update BMRB 'update entry citation' 19056 1 . . 2013-05-30 2013-02-26 original author 'original release' 19056 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 19056 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 23686822 _Citation.Full_citation . _Citation.Title '1H, 13C, 15N backbone and side chain NMR resonance assignments of the N-terminal NEAr iron transporter domain 1 (NEAT 1) of the hemoglobin receptor IsdB of Staphylococcus aureus.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full 'Biomolecular NMR assignments' _Citation.Journal_volume 8 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 201 _Citation.Page_last 205 _Citation.Year 2014 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Brittany Fonner . A. . 19056 1 2 Brian Tripet . P. . 19056 1 3 Mengyao Lui . . . 19056 1 4 Hui Zhu . . . 19056 1 5 Benfang Lei . . . 19056 1 6 Valerie Copie . . . 19056 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'bacterial heme aquisition pathway' 19056 1 'Iron surface determinant (Isd) proteins' 19056 1 'IsdB protein' 19056 1 'NEAr Transporter (NEAT) domains' 19056 1 'Staphylococcus aureus' 19056 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19056 _Assembly.ID 1 _Assembly.Name 'IsdB N1' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'IsdB N1' 1 $IsdB_N1 A . yes native no no . . . 19056 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_IsdB_N1 _Entity.Sf_category entity _Entity.Sf_framecode IsdB_N1 _Entity.Entry_ID 19056 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name IsdB_N1 _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 ; MAHHHHHHVDDDDKMLNQEL REAIKNPAIKDKDHSAPNSR PIDFEMKKKDGTQQFYHYAS SVKPARVIFTDSKPEIELGL QSGQFWRKFEVYEGDKKLPI KLVSYDTVKDYAYIRFSVSN GTKAVKIVSSTHFNNKEEKY DYTLMEFAQPIYNSADKFKT EED ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 125 _Entity.Polymer_author_seq_details 'Residues 1-15 correspond to a non-native His tag for purification. The sequence of the native protein and for assignment purposes begins with L125.' _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 163 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment 'Fragment consists of the N-terminal NEAT domain (N1) of the Iron-regulated Surface Determinant B (IsdB) protein. Two NEAT domains (N1 and N2) are present in the full-length IsdB protein.' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 19075 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 yes REF YP_001332074.1 . "iron-regulated heme-iron binding protein IsdB [Staphylococcus aureus subsp. aureus str. Newman]" . . . . . . . . . . . . . . 19056 1 2 no PDB 2MOQ . "Solution Structure And Molecular Determinants Of Hemoglobin Binding Of The First Neat Domain Of Isdb In Staphylococcus Aureus" . . . . . 100.00 163 100.00 100.00 8.77e-116 . . . . 19056 1 3 no DBJ BAB42225 . "conserved hypothetical protein [Staphylococcus aureus subsp. aureus N315]" . . . . . 91.41 645 97.32 99.33 1.56e-98 . . . . 19056 1 4 no DBJ BAB57291 . "iron-regulated cell wall-anchored protein SirH [Staphylococcus aureus subsp. aureus Mu50]" . . . . . 91.41 645 97.32 99.33 1.56e-98 . . . . 19056 1 5 no DBJ BAB94876 . "conserved hypothetical protein [Staphylococcus aureus subsp. aureus MW2]" . . . . . 91.41 645 99.33 100.00 9.16e-101 . . . . 19056 1 6 no DBJ BAF67312 . "iron-regulated heme-iron binding protein IsdB [Staphylococcus aureus subsp. aureus str. Newman]" . . . . . 91.41 645 99.33 100.00 9.16e-101 . . . . 19056 1 7 no DBJ BAF78003 . "conserved hypothetical protein [Staphylococcus aureus subsp. aureus Mu3]" . . . . . 91.41 645 97.32 99.33 1.56e-98 . . . . 19056 1 8 no EMBL CAG40104 . "iron-regulated heme-iron binding protein [Staphylococcus aureus subsp. aureus MRSA252]" . . . . . 91.41 652 99.33 100.00 9.44e-101 . . . . 19056 1 9 no EMBL CAG42837 . "iron-regulated heme-iron binding protein [Staphylococcus aureus subsp. aureus MSSA476]" . . . . . 91.41 645 99.33 100.00 9.16e-101 . . . . 19056 1 10 no EMBL CAI80681 . "iron-regulated cell wall-anchored protein [Staphylococcus aureus RF122]" . . . . . 91.41 629 97.32 99.33 1.35e-98 . . . . 19056 1 11 no EMBL CAQ49550 . "iron-regulated heme-iron binding protein [Staphylococcus aureus subsp. aureus ST398]" . . . . . 91.41 639 99.33 100.00 4.35e-101 . . . . 19056 1 12 no EMBL CBI49002 . "iron-regulated heme-iron binding protein [Staphylococcus aureus subsp. aureus TW20]" . . . . . 91.41 645 99.33 100.00 9.16e-101 . . . . 19056 1 13 no GB AAL33769 . "iron-regulated cell wall-anchored protein SirH [Staphylococcus aureus]" . . . . . 91.41 652 99.33 100.00 9.44e-101 . . . . 19056 1 14 no GB AAW38018 . "LPXTG cell wall surface anchor protein [Staphylococcus aureus subsp. aureus COL]" . . . . . 91.41 645 99.33 100.00 9.16e-101 . . . . 19056 1 15 no GB ABD21843 . "iron transport associated domain protein [Staphylococcus aureus subsp. aureus USA300_FPR3757]" . . . . . 91.41 645 99.33 100.00 9.16e-101 . . . . 19056 1 16 no GB ABD30196 . "neurofilament protein [Staphylococcus aureus subsp. aureus NCTC 8325]" . . . . . 91.41 645 99.33 100.00 9.16e-101 . . . . 19056 1 17 no GB ABQ48988 . "LPXTG-motif cell wall anchor domain [Staphylococcus aureus subsp. aureus JH9]" . . . . . 91.41 645 97.32 99.33 1.56e-98 . . . . 19056 1 18 no REF WP_001041562 . "heme transporter IsdB [Staphylococcus aureus]" . . . . . 91.41 641 97.32 99.33 1.49e-98 . . . . 19056 1 19 no REF WP_001041563 . "heme transporter IsdB [Staphylococcus aureus]" . . . . . 91.41 642 99.33 100.00 4.39e-101 . . . . 19056 1 20 no REF WP_001041564 . "heme transporter IsdB [Staphylococcus aureus]" . . . . . 91.41 642 99.33 100.00 4.73e-101 . . . . 19056 1 21 no REF WP_001041565 . "heme transporter IsdB [Staphylococcus aureus]" . . . . . 91.41 644 98.66 100.00 3.79e-100 . . . . 19056 1 22 no REF WP_001041566 . "heme transporter IsdB [Staphylococcus aureus]" . . . . . 91.41 644 98.66 100.00 3.34e-100 . . . . 19056 1 23 no SP A5IS15 . "RecName: Full=Iron-regulated surface determinant protein B; AltName: Full=Fur-regulated protein B; AltName: Full=Staphylococcal" . . . . . 91.41 645 97.32 99.33 1.56e-98 . . . . 19056 1 24 no SP A6QG30 . "RecName: Full=Iron-regulated surface determinant protein B; AltName: Full=Fur-regulated protein B; AltName: Full=Staphylococcal" . . . . . 91.41 645 99.33 100.00 9.16e-101 . . . . 19056 1 25 no SP A6U0U6 . "RecName: Full=Iron-regulated surface determinant protein B; AltName: Full=Fur-regulated protein B; AltName: Full=Staphylococcal" . . . . . 91.41 645 97.32 99.33 1.56e-98 . . . . 19056 1 26 no SP A7X146 . "RecName: Full=Iron-regulated surface determinant protein B; AltName: Full=Fur-regulated protein B; AltName: Full=Staphylococcal" . . . . . 91.41 645 97.32 99.33 1.56e-98 . . . . 19056 1 27 no SP P0C7J5 . "RecName: Full=Iron-regulated surface determinant protein B; AltName: Full=Fur-regulated protein B; AltName: Full=Staphylococcal" . . . . . 91.41 645 99.33 100.00 9.16e-101 . . . . 19056 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'hemoglobin binding' 19056 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 1 110 MET . 19056 1 2 111 ALA . 19056 1 3 112 HIS . 19056 1 4 113 HIS . 19056 1 5 114 HIS . 19056 1 6 115 HIS . 19056 1 7 116 HIS . 19056 1 8 117 HIS . 19056 1 9 118 VAL . 19056 1 10 119 ASP . 19056 1 11 120 ASP . 19056 1 12 121 ASP . 19056 1 13 122 ASP . 19056 1 14 123 LYS . 19056 1 15 124 MET . 19056 1 16 125 LEU . 19056 1 17 126 ASN . 19056 1 18 127 GLN . 19056 1 19 128 GLU . 19056 1 20 129 LEU . 19056 1 21 130 ARG . 19056 1 22 131 GLU . 19056 1 23 132 ALA . 19056 1 24 133 ILE . 19056 1 25 134 LYS . 19056 1 26 135 ASN . 19056 1 27 136 PRO . 19056 1 28 137 ALA . 19056 1 29 138 ILE . 19056 1 30 139 LYS . 19056 1 31 140 ASP . 19056 1 32 141 LYS . 19056 1 33 142 ASP . 19056 1 34 143 HIS . 19056 1 35 144 SER . 19056 1 36 145 ALA . 19056 1 37 146 PRO . 19056 1 38 147 ASN . 19056 1 39 148 SER . 19056 1 40 149 ARG . 19056 1 41 150 PRO . 19056 1 42 151 ILE . 19056 1 43 152 ASP . 19056 1 44 153 PHE . 19056 1 45 154 GLU . 19056 1 46 155 MET . 19056 1 47 156 LYS . 19056 1 48 157 LYS . 19056 1 49 158 LYS . 19056 1 50 159 ASP . 19056 1 51 160 GLY . 19056 1 52 161 THR . 19056 1 53 162 GLN . 19056 1 54 163 GLN . 19056 1 55 164 PHE . 19056 1 56 165 TYR . 19056 1 57 166 HIS . 19056 1 58 167 TYR . 19056 1 59 168 ALA . 19056 1 60 169 SER . 19056 1 61 170 SER . 19056 1 62 171 VAL . 19056 1 63 172 LYS . 19056 1 64 173 PRO . 19056 1 65 174 ALA . 19056 1 66 175 ARG . 19056 1 67 176 VAL . 19056 1 68 177 ILE . 19056 1 69 178 PHE . 19056 1 70 179 THR . 19056 1 71 180 ASP . 19056 1 72 181 SER . 19056 1 73 182 LYS . 19056 1 74 183 PRO . 19056 1 75 184 GLU . 19056 1 76 185 ILE . 19056 1 77 186 GLU . 19056 1 78 187 LEU . 19056 1 79 188 GLY . 19056 1 80 189 LEU . 19056 1 81 190 GLN . 19056 1 82 191 SER . 19056 1 83 192 GLY . 19056 1 84 193 GLN . 19056 1 85 194 PHE . 19056 1 86 195 TRP . 19056 1 87 196 ARG . 19056 1 88 197 LYS . 19056 1 89 198 PHE . 19056 1 90 199 GLU . 19056 1 91 200 VAL . 19056 1 92 201 TYR . 19056 1 93 202 GLU . 19056 1 94 203 GLY . 19056 1 95 204 ASP . 19056 1 96 205 LYS . 19056 1 97 206 LYS . 19056 1 98 207 LEU . 19056 1 99 208 PRO . 19056 1 100 209 ILE . 19056 1 101 210 LYS . 19056 1 102 211 LEU . 19056 1 103 212 VAL . 19056 1 104 213 SER . 19056 1 105 214 TYR . 19056 1 106 215 ASP . 19056 1 107 216 THR . 19056 1 108 217 VAL . 19056 1 109 218 LYS . 19056 1 110 219 ASP . 19056 1 111 220 TYR . 19056 1 112 221 ALA . 19056 1 113 222 TYR . 19056 1 114 223 ILE . 19056 1 115 224 ARG . 19056 1 116 225 PHE . 19056 1 117 226 SER . 19056 1 118 227 VAL . 19056 1 119 228 SER . 19056 1 120 229 ASN . 19056 1 121 230 GLY . 19056 1 122 231 THR . 19056 1 123 232 LYS . 19056 1 124 233 ALA . 19056 1 125 234 VAL . 19056 1 126 235 LYS . 19056 1 127 236 ILE . 19056 1 128 237 VAL . 19056 1 129 238 SER . 19056 1 130 239 SER . 19056 1 131 240 THR . 19056 1 132 241 HIS . 19056 1 133 242 PHE . 19056 1 134 243 ASN . 19056 1 135 244 ASN . 19056 1 136 245 LYS . 19056 1 137 246 GLU . 19056 1 138 247 GLU . 19056 1 139 248 LYS . 19056 1 140 249 TYR . 19056 1 141 250 ASP . 19056 1 142 251 TYR . 19056 1 143 252 THR . 19056 1 144 253 LEU . 19056 1 145 254 MET . 19056 1 146 255 GLU . 19056 1 147 256 PHE . 19056 1 148 257 ALA . 19056 1 149 258 GLN . 19056 1 150 259 PRO . 19056 1 151 260 ILE . 19056 1 152 261 TYR . 19056 1 153 262 ASN . 19056 1 154 263 SER . 19056 1 155 264 ALA . 19056 1 156 265 ASP . 19056 1 157 266 LYS . 19056 1 158 267 PHE . 19056 1 159 268 LYS . 19056 1 160 269 THR . 19056 1 161 270 GLU . 19056 1 162 271 GLU . 19056 1 163 272 ASP . 19056 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 19056 1 . ALA 2 2 19056 1 . HIS 3 3 19056 1 . HIS 4 4 19056 1 . HIS 5 5 19056 1 . HIS 6 6 19056 1 . HIS 7 7 19056 1 . HIS 8 8 19056 1 . VAL 9 9 19056 1 . ASP 10 10 19056 1 . ASP 11 11 19056 1 . ASP 12 12 19056 1 . ASP 13 13 19056 1 . LYS 14 14 19056 1 . MET 15 15 19056 1 . LEU 16 16 19056 1 . ASN 17 17 19056 1 . GLN 18 18 19056 1 . GLU 19 19 19056 1 . LEU 20 20 19056 1 . ARG 21 21 19056 1 . GLU 22 22 19056 1 . ALA 23 23 19056 1 . ILE 24 24 19056 1 . LYS 25 25 19056 1 . ASN 26 26 19056 1 . PRO 27 27 19056 1 . ALA 28 28 19056 1 . ILE 29 29 19056 1 . LYS 30 30 19056 1 . ASP 31 31 19056 1 . LYS 32 32 19056 1 . ASP 33 33 19056 1 . HIS 34 34 19056 1 . SER 35 35 19056 1 . ALA 36 36 19056 1 . PRO 37 37 19056 1 . ASN 38 38 19056 1 . SER 39 39 19056 1 . ARG 40 40 19056 1 . PRO 41 41 19056 1 . ILE 42 42 19056 1 . ASP 43 43 19056 1 . PHE 44 44 19056 1 . GLU 45 45 19056 1 . MET 46 46 19056 1 . LYS 47 47 19056 1 . LYS 48 48 19056 1 . LYS 49 49 19056 1 . ASP 50 50 19056 1 . GLY 51 51 19056 1 . THR 52 52 19056 1 . GLN 53 53 19056 1 . GLN 54 54 19056 1 . PHE 55 55 19056 1 . TYR 56 56 19056 1 . HIS 57 57 19056 1 . TYR 58 58 19056 1 . ALA 59 59 19056 1 . SER 60 60 19056 1 . SER 61 61 19056 1 . VAL 62 62 19056 1 . LYS 63 63 19056 1 . PRO 64 64 19056 1 . ALA 65 65 19056 1 . ARG 66 66 19056 1 . VAL 67 67 19056 1 . ILE 68 68 19056 1 . PHE 69 69 19056 1 . THR 70 70 19056 1 . ASP 71 71 19056 1 . SER 72 72 19056 1 . LYS 73 73 19056 1 . PRO 74 74 19056 1 . GLU 75 75 19056 1 . ILE 76 76 19056 1 . GLU 77 77 19056 1 . LEU 78 78 19056 1 . GLY 79 79 19056 1 . LEU 80 80 19056 1 . GLN 81 81 19056 1 . SER 82 82 19056 1 . GLY 83 83 19056 1 . GLN 84 84 19056 1 . PHE 85 85 19056 1 . TRP 86 86 19056 1 . ARG 87 87 19056 1 . LYS 88 88 19056 1 . PHE 89 89 19056 1 . GLU 90 90 19056 1 . VAL 91 91 19056 1 . TYR 92 92 19056 1 . GLU 93 93 19056 1 . GLY 94 94 19056 1 . ASP 95 95 19056 1 . LYS 96 96 19056 1 . LYS 97 97 19056 1 . LEU 98 98 19056 1 . PRO 99 99 19056 1 . ILE 100 100 19056 1 . LYS 101 101 19056 1 . LEU 102 102 19056 1 . VAL 103 103 19056 1 . SER 104 104 19056 1 . TYR 105 105 19056 1 . ASP 106 106 19056 1 . THR 107 107 19056 1 . VAL 108 108 19056 1 . LYS 109 109 19056 1 . ASP 110 110 19056 1 . TYR 111 111 19056 1 . ALA 112 112 19056 1 . TYR 113 113 19056 1 . ILE 114 114 19056 1 . ARG 115 115 19056 1 . PHE 116 116 19056 1 . SER 117 117 19056 1 . VAL 118 118 19056 1 . SER 119 119 19056 1 . ASN 120 120 19056 1 . GLY 121 121 19056 1 . THR 122 122 19056 1 . LYS 123 123 19056 1 . ALA 124 124 19056 1 . VAL 125 125 19056 1 . LYS 126 126 19056 1 . ILE 127 127 19056 1 . VAL 128 128 19056 1 . SER 129 129 19056 1 . SER 130 130 19056 1 . THR 131 131 19056 1 . HIS 132 132 19056 1 . PHE 133 133 19056 1 . ASN 134 134 19056 1 . ASN 135 135 19056 1 . LYS 136 136 19056 1 . GLU 137 137 19056 1 . GLU 138 138 19056 1 . LYS 139 139 19056 1 . TYR 140 140 19056 1 . ASP 141 141 19056 1 . TYR 142 142 19056 1 . THR 143 143 19056 1 . LEU 144 144 19056 1 . MET 145 145 19056 1 . GLU 146 146 19056 1 . PHE 147 147 19056 1 . ALA 148 148 19056 1 . GLN 149 149 19056 1 . PRO 150 150 19056 1 . ILE 151 151 19056 1 . TYR 152 152 19056 1 . ASN 153 153 19056 1 . SER 154 154 19056 1 . ALA 155 155 19056 1 . ASP 156 156 19056 1 . LYS 157 157 19056 1 . PHE 158 158 19056 1 . LYS 159 159 19056 1 . THR 160 160 19056 1 . GLU 161 161 19056 1 . GLU 162 162 19056 1 . ASP 163 163 19056 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 19056 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $IsdB_N1 . 1280 organism . 'Staphylococcus aureus' Firmicutes . . Bacteria . Staphylococcus aureus . . . . . . . . . . . . . . . . . . . . . 19056 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 19056 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $IsdB_N1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET-46 . . . . . . 19056 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19056 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 3 _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 'IsdB N1' '[U-99% 15N]' . . 1 $IsdB_N1 . . 1 . . mM . . . . 19056 1 2 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 19056 1 3 'sodium chloride' 'natural abundance' . . . . . . 400 . . mM . . . . 19056 1 4 PMSF 'natural abundance' . . . . . . 0.1 . . mM . . . . 19056 1 5 EDTA 'natural abundance' . . . . . . 1 . . mM . . . . 19056 1 6 'sodium azide' 'natural abundance' . . . . . . 0.01 . . % . . . . 19056 1 7 D2O '[U-99% 2H]' . . . . . . 5 . . % . . . . 19056 1 8 H2O 'natural abundance' . . . . . . 95 . . % . . . . 19056 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 19056 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 3 _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 'IsdB N1' '[U-99% 13C; U-99% 15N]' . . 1 $IsdB_N1 . . 1 . . mM . . . . 19056 2 2 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 19056 2 3 'sodium chloride' 'natural abundance' . . . . . . 400 . . mM . . . . 19056 2 4 PMSF 'natural abundance' . . . . . . 0.1 . . mM . . . . 19056 2 5 EDTA 'natural abundance' . . . . . . 1 . . mM . . . . 19056 2 6 'sodium azide' 'natural abundance' . . . . . . 0.01 . . % . . . . 19056 2 7 D2O '[U-99% 2H]' . . . . . . 5 . . % . . . . 19056 2 8 H2O 'natural abundance' . . . . . . 95 . . % . . . . 19056 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 19056 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 3 _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 'IsdB N1' '[U-99% 13C; U-99% 15N]' . . 1 $IsdB_N1 . . 1 . . mM . . . . 19056 3 2 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 19056 3 3 'sodium chloride' 'natural abundance' . . . . . . 400 . . mM . . . . 19056 3 4 PMSF 'natural abundance' . . . . . . 0.1 . . mM . . . . 19056 3 5 EDTA 'natural abundance' . . . . . . 1 . . mM . . . . 19056 3 6 'sodium azide' 'natural abundance' . . . . . . 0.01 . . % . . . . 19056 3 7 D2O '[U-99% 2H]' . . . . . . 100 . . % . . . . 19056 3 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 19056 _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' 0.45 . M 19056 1 pH 6.8 . pH 19056 1 pressure 1 . atm 19056 1 temperature 298 . K 19056 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 19056 _Software.ID 1 _Software.Name TOPSPIN _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 19056 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 19056 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 19056 _Software.ID 2 _Software.Name NMRPipe _Software.Version 7.4 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 19056 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 19056 2 stop_ save_ save_NMRDraw _Software.Sf_category software _Software.Sf_framecode NMRDraw _Software.Entry_ID 19056 _Software.ID 3 _Software.Name NMRDraw _Software.Version 7.4 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 19056 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 19056 3 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 19056 _Software.ID 4 _Software.Name SPARKY _Software.Version 3.113 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 19056 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 19056 4 'data analysis' 19056 4 'peak picking' 19056 4 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 19056 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _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 19056 _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 DRX . 600 . . . 19056 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 19056 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19056 1 2 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19056 1 3 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19056 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19056 1 5 '3D C(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19056 1 6 '3D HNCA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19056 1 7 '3D HNCACB' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19056 1 8 '3D HBHA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19056 1 9 '3D H(CCO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19056 1 10 '3D HCCH-TOCSY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19056 1 11 '3D 1H-13C NOESY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19056 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 19056 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 19056 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 19056 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 19056 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 19056 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 19056 1 2 '3D 1H-15N TOCSY' . . . 19056 1 3 '3D 1H-15N NOESY' . . . 19056 1 4 '3D CBCA(CO)NH' . . . 19056 1 5 '3D C(CO)NH' . . . 19056 1 6 '3D HNCA' . . . 19056 1 7 '3D HNCACB' . . . 19056 1 8 '3D HBHA(CO)NH' . . . 19056 1 9 '3D H(CCO)NH' . . . 19056 1 10 '3D HCCH-TOCSY' . . . 19056 1 11 '3D 1H-13C NOESY' . . . 19056 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 16 16 LEU H H 1 8.750 0.004 . 1 . . . . 125 LEU H . 19056 1 2 . 1 1 16 16 LEU HA H 1 4.373 0.008 . 1 . . . . 125 LEU HA . 19056 1 3 . 1 1 16 16 LEU HB2 H 1 1.912 0.008 . 2 . . . . 125 LEU HB2 . 19056 1 4 . 1 1 16 16 LEU HB3 H 1 1.387 0.008 . 2 . . . . 125 LEU HB3 . 19056 1 5 . 1 1 16 16 LEU HG H 1 1.701 0.010 . 1 . . . . 125 LEU HG . 19056 1 6 . 1 1 16 16 LEU HD11 H 1 0.953 0.007 . 2 . . . . 125 LEU HD11 . 19056 1 7 . 1 1 16 16 LEU HD12 H 1 0.953 0.007 . 2 . . . . 125 LEU HD11 . 19056 1 8 . 1 1 16 16 LEU HD13 H 1 0.953 0.007 . 2 . . . . 125 LEU HD11 . 19056 1 9 . 1 1 16 16 LEU HD21 H 1 0.918 0.010 . 2 . . . . 125 LEU HD21 . 19056 1 10 . 1 1 16 16 LEU HD22 H 1 0.918 0.010 . 2 . . . . 125 LEU HD21 . 19056 1 11 . 1 1 16 16 LEU HD23 H 1 0.918 0.010 . 2 . . . . 125 LEU HD21 . 19056 1 12 . 1 1 16 16 LEU CA C 13 56.175 0.189 . 1 . . . . 125 LEU CA . 19056 1 13 . 1 1 16 16 LEU CB C 13 42.568 0.066 . 1 . . . . 125 LEU CB . 19056 1 14 . 1 1 16 16 LEU CG C 13 27.445 0.150 . 1 . . . . 125 LEU CG . 19056 1 15 . 1 1 16 16 LEU CD1 C 13 25.800 0.001 . 2 . . . . 125 LEU CD1 . 19056 1 16 . 1 1 16 16 LEU N N 15 123.733 0.018 . 1 . . . . 125 LEU N . 19056 1 17 . 1 1 17 17 ASN H H 1 8.607 0.009 . 1 . . . . 126 ASN H . 19056 1 18 . 1 1 17 17 ASN HA H 1 4.903 0.005 . 1 . . . . 126 ASN HA . 19056 1 19 . 1 1 17 17 ASN HB2 H 1 2.826 0.023 . 2 . . . . 126 ASN HB2 . 19056 1 20 . 1 1 17 17 ASN HB3 H 1 2.768 0.003 . 2 . . . . 126 ASN HB3 . 19056 1 21 . 1 1 17 17 ASN CA C 13 53.319 0.035 . 1 . . . . 126 ASN CA . 19056 1 22 . 1 1 17 17 ASN CB C 13 39.717 0.111 . 1 . . . . 126 ASN CB . 19056 1 23 . 1 1 17 17 ASN N N 15 124.213 0.075 . 1 . . . . 126 ASN N . 19056 1 24 . 1 1 18 18 GLN H H 1 7.565 0.010 . 1 . . . . 127 GLN H . 19056 1 25 . 1 1 18 18 GLN HA H 1 4.589 0.007 . 1 . . . . 127 GLN HA . 19056 1 26 . 1 1 18 18 GLN HB2 H 1 2.226 0.017 . 2 . . . . 127 GLN HB2 . 19056 1 27 . 1 1 18 18 GLN HB3 H 1 2.002 0.013 . 2 . . . . 127 GLN HB3 . 19056 1 28 . 1 1 18 18 GLN HG2 H 1 2.368 0.010 . 2 . . . . 127 GLN HG2 . 19056 1 29 . 1 1 18 18 GLN CA C 13 55.020 0.052 . 1 . . . . 127 GLN CA . 19056 1 30 . 1 1 18 18 GLN CB C 13 32.810 0.057 . 1 . . . . 127 GLN CB . 19056 1 31 . 1 1 18 18 GLN CG C 13 34.268 0.150 . 1 . . . . 127 GLN CG . 19056 1 32 . 1 1 18 18 GLN N N 15 117.458 0.055 . 1 . . . . 127 GLN N . 19056 1 33 . 1 1 19 19 GLU H H 1 8.579 0.003 . 1 . . . . 128 GLU H . 19056 1 34 . 1 1 19 19 GLU HA H 1 4.261 0.007 . 1 . . . . 128 GLU HA . 19056 1 35 . 1 1 19 19 GLU HB2 H 1 2.058 0.001 . 2 . . . . 128 GLU HB2 . 19056 1 36 . 1 1 19 19 GLU HG2 H 1 2.555 0.011 . 2 . . . . 128 GLU HG2 . 19056 1 37 . 1 1 19 19 GLU CA C 13 57.019 0.043 . 1 . . . . 128 GLU CA . 19056 1 38 . 1 1 19 19 GLU CB C 13 31.626 0.080 . 1 . . . . 128 GLU CB . 19056 1 39 . 1 1 19 19 GLU CG C 13 37.398 0.150 . 1 . . . . 128 GLU CG . 19056 1 40 . 1 1 19 19 GLU N N 15 119.850 0.053 . 1 . . . . 128 GLU N . 19056 1 41 . 1 1 20 20 LEU H H 1 9.327 0.007 . 1 . . . . 129 LEU H . 19056 1 42 . 1 1 20 20 LEU HA H 1 3.911 0.010 . 1 . . . . 129 LEU HA . 19056 1 43 . 1 1 20 20 LEU HB2 H 1 1.719 0.008 . 2 . . . . 129 LEU HB2 . 19056 1 44 . 1 1 20 20 LEU HB3 H 1 1.525 0.017 . 2 . . . . 129 LEU HB3 . 19056 1 45 . 1 1 20 20 LEU HD11 H 1 0.544 0.012 . 2 . . . . 129 LEU HD11 . 19056 1 46 . 1 1 20 20 LEU HD12 H 1 0.527 0.009 . 2 . . . . 129 LEU HD12 . 19056 1 47 . 1 1 20 20 LEU HD13 H 1 0.527 0.009 . 2 . . . . 129 LEU HD12 . 19056 1 48 . 1 1 20 20 LEU HD21 H 1 0.182 0.012 . 2 . . . . 129 LEU HD21 . 19056 1 49 . 1 1 20 20 LEU HD22 H 1 0.182 0.012 . 2 . . . . 129 LEU HD21 . 19056 1 50 . 1 1 20 20 LEU HD23 H 1 0.182 0.012 . 2 . . . . 129 LEU HD21 . 19056 1 51 . 1 1 20 20 LEU CA C 13 59.649 0.173 . 1 . . . . 129 LEU CA . 19056 1 52 . 1 1 20 20 LEU CB C 13 41.470 0.079 . 1 . . . . 129 LEU CB . 19056 1 53 . 1 1 20 20 LEU CG C 13 27.935 0.150 . 1 . . . . 129 LEU CG . 19056 1 54 . 1 1 20 20 LEU CD1 C 13 25.759 0.024 . 2 . . . . 129 LEU CD1 . 19056 1 55 . 1 1 20 20 LEU N N 15 128.348 0.080 . 1 . . . . 129 LEU N . 19056 1 56 . 1 1 21 21 ARG H H 1 7.993 0.007 . 1 . . . . 130 ARG H . 19056 1 57 . 1 1 21 21 ARG HA H 1 3.976 0.014 . 1 . . . . 130 ARG HA . 19056 1 58 . 1 1 21 21 ARG HB2 H 1 2.055 0.014 . 2 . . . . 130 ARG HB2 . 19056 1 59 . 1 1 21 21 ARG HB3 H 1 1.840 0.014 . 2 . . . . 130 ARG HB3 . 19056 1 60 . 1 1 21 21 ARG HG2 H 1 1.607 0.009 . 2 . . . . 130 ARG HG2 . 19056 1 61 . 1 1 21 21 ARG HD2 H 1 3.010 0.006 . 2 . . . . 130 ARG HD2 . 19056 1 62 . 1 1 21 21 ARG CA C 13 58.732 0.072 . 1 . . . . 130 ARG CA . 19056 1 63 . 1 1 21 21 ARG CB C 13 29.604 0.052 . 1 . . . . 130 ARG CB . 19056 1 64 . 1 1 21 21 ARG CG C 13 26.465 0.150 . 1 . . . . 130 ARG CG . 19056 1 65 . 1 1 21 21 ARG CD C 13 44.514 0.002 . 1 . . . . 130 ARG CD . 19056 1 66 . 1 1 21 21 ARG N N 15 110.965 0.066 . 1 . . . . 130 ARG N . 19056 1 67 . 1 1 22 22 GLU H H 1 6.983 0.013 . 1 . . . . 131 GLU H . 19056 1 68 . 1 1 22 22 GLU HA H 1 4.361 0.010 . 1 . . . . 131 GLU HA . 19056 1 69 . 1 1 22 22 GLU HB2 H 1 1.983 0.016 . 2 . . . . 131 GLU HB2 . 19056 1 70 . 1 1 22 22 GLU HG2 H 1 2.306 0.014 . 2 . . . . 131 GLU HG2 . 19056 1 71 . 1 1 22 22 GLU HG3 H 1 2.121 0.007 . 2 . . . . 131 GLU HG3 . 19056 1 72 . 1 1 22 22 GLU CA C 13 57.125 0.027 . 1 . . . . 131 GLU CA . 19056 1 73 . 1 1 22 22 GLU CB C 13 30.657 0.167 . 1 . . . . 131 GLU CB . 19056 1 74 . 1 1 22 22 GLU CG C 13 36.021 0.002 . 1 . . . . 131 GLU CG . 19056 1 75 . 1 1 22 22 GLU N N 15 117.111 0.067 . 1 . . . . 131 GLU N . 19056 1 76 . 1 1 23 23 ALA H H 1 8.024 0.009 . 1 . . . . 132 ALA H . 19056 1 77 . 1 1 23 23 ALA HA H 1 4.020 0.016 . 1 . . . . 132 ALA HA . 19056 1 78 . 1 1 23 23 ALA HB1 H 1 1.408 0.012 . 1 . . . . 132 ALA HB1 . 19056 1 79 . 1 1 23 23 ALA HB2 H 1 1.408 0.012 . 1 . . . . 132 ALA HB1 . 19056 1 80 . 1 1 23 23 ALA HB3 H 1 1.408 0.012 . 1 . . . . 132 ALA HB1 . 19056 1 81 . 1 1 23 23 ALA CA C 13 55.468 0.038 . 1 . . . . 132 ALA CA . 19056 1 82 . 1 1 23 23 ALA CB C 13 20.207 0.041 . 1 . . . . 132 ALA CB . 19056 1 83 . 1 1 23 23 ALA N N 15 125.517 0.030 . 1 . . . . 132 ALA N . 19056 1 84 . 1 1 24 24 ILE H H 1 7.650 0.005 . 1 . . . . 133 ILE H . 19056 1 85 . 1 1 24 24 ILE HA H 1 3.687 0.012 . 1 . . . . 133 ILE HA . 19056 1 86 . 1 1 24 24 ILE HB H 1 0.858 0.013 . 1 . . . . 133 ILE HB . 19056 1 87 . 1 1 24 24 ILE HG21 H 1 0.512 0.007 . 1 . . . . 133 ILE HG21 . 19056 1 88 . 1 1 24 24 ILE HG22 H 1 0.512 0.007 . 1 . . . . 133 ILE HG21 . 19056 1 89 . 1 1 24 24 ILE HG23 H 1 0.512 0.007 . 1 . . . . 133 ILE HG21 . 19056 1 90 . 1 1 24 24 ILE HD11 H 1 0.182 0.007 . 1 . . . . 133 ILE HD11 . 19056 1 91 . 1 1 24 24 ILE HD12 H 1 0.182 0.007 . 1 . . . . 133 ILE HD11 . 19056 1 92 . 1 1 24 24 ILE HD13 H 1 0.182 0.007 . 1 . . . . 133 ILE HD11 . 19056 1 93 . 1 1 24 24 ILE CA C 13 63.940 0.029 . 1 . . . . 133 ILE CA . 19056 1 94 . 1 1 24 24 ILE CB C 13 36.482 0.093 . 1 . . . . 133 ILE CB . 19056 1 95 . 1 1 24 24 ILE CG1 C 13 25.141 0.150 . 1 . . . . 133 ILE CG1 . 19056 1 96 . 1 1 24 24 ILE CG2 C 13 17.951 0.001 . 1 . . . . 133 ILE CG2 . 19056 1 97 . 1 1 24 24 ILE CD1 C 13 14.175 0.150 . 1 . . . . 133 ILE CD1 . 19056 1 98 . 1 1 24 24 ILE N N 15 108.614 0.031 . 1 . . . . 133 ILE N . 19056 1 99 . 1 1 25 25 LYS H H 1 6.924 0.008 . 1 . . . . 134 LYS H . 19056 1 100 . 1 1 25 25 LYS HA H 1 4.041 0.007 . 1 . . . . 134 LYS HA . 19056 1 101 . 1 1 25 25 LYS HB2 H 1 1.936 0.009 . 2 . . . . 134 LYS HB2 . 19056 1 102 . 1 1 25 25 LYS HB3 H 1 1.697 0.012 . 2 . . . . 134 LYS HB3 . 19056 1 103 . 1 1 25 25 LYS HG2 H 1 1.300 0.010 . 2 . . . . 134 LYS HG2 . 19056 1 104 . 1 1 25 25 LYS HD2 H 1 1.578 0.010 . 2 . . . . 134 LYS HD2 . 19056 1 105 . 1 1 25 25 LYS HE2 H 1 3.011 0.010 . 2 . . . . 134 LYS HE2 . 19056 1 106 . 1 1 25 25 LYS HE3 H 1 2.837 0.007 . 2 . . . . 134 LYS HE3 . 19056 1 107 . 1 1 25 25 LYS CA C 13 56.900 0.009 . 1 . . . . 134 LYS CA . 19056 1 108 . 1 1 25 25 LYS CB C 13 32.820 0.114 . 1 . . . . 134 LYS CB . 19056 1 109 . 1 1 25 25 LYS CG C 13 25.871 0.150 . 1 . . . . 134 LYS CG . 19056 1 110 . 1 1 25 25 LYS CD C 13 30.061 0.001 . 1 . . . . 134 LYS CD . 19056 1 111 . 1 1 25 25 LYS CE C 13 42.563 0.150 . 1 . . . . 134 LYS CE . 19056 1 112 . 1 1 25 25 LYS N N 15 117.649 0.050 . 1 . . . . 134 LYS N . 19056 1 113 . 1 1 26 26 ASN H H 1 7.022 0.010 . 1 . . . . 135 ASN H . 19056 1 114 . 1 1 26 26 ASN HA H 1 4.738 0.006 . 1 . . . . 135 ASN HA . 19056 1 115 . 1 1 26 26 ASN HB2 H 1 2.992 0.014 . 2 . . . . 135 ASN HB2 . 19056 1 116 . 1 1 26 26 ASN CA C 13 51.324 0.150 . 1 . . . . 135 ASN CA . 19056 1 117 . 1 1 26 26 ASN CB C 13 40.095 0.150 . 1 . . . . 135 ASN CB . 19056 1 118 . 1 1 26 26 ASN N N 15 119.591 0.051 . 1 . . . . 135 ASN N . 19056 1 119 . 1 1 27 27 PRO HA H 1 4.216 0.009 . 1 . . . . 136 PRO HA . 19056 1 120 . 1 1 27 27 PRO HB2 H 1 2.477 0.004 . 2 . . . . 136 PRO HB2 . 19056 1 121 . 1 1 27 27 PRO HB3 H 1 2.065 0.007 . 2 . . . . 136 PRO HB3 . 19056 1 122 . 1 1 27 27 PRO CA C 13 65.244 0.072 . 1 . . . . 136 PRO CA . 19056 1 123 . 1 1 27 27 PRO CB C 13 32.686 0.081 . 1 . . . . 136 PRO CB . 19056 1 124 . 1 1 27 27 PRO CG C 13 28.049 0.150 . 1 . . . . 136 PRO CG . 19056 1 125 . 1 1 27 27 PRO CD C 13 51.994 0.150 . 1 . . . . 136 PRO CD . 19056 1 126 . 1 1 28 28 ALA H H 1 7.929 0.006 . 1 . . . . 137 ALA H . 19056 1 127 . 1 1 28 28 ALA HA H 1 4.216 0.013 . 1 . . . . 137 ALA HA . 19056 1 128 . 1 1 28 28 ALA HB1 H 1 1.456 0.005 . 1 . . . . 137 ALA HB1 . 19056 1 129 . 1 1 28 28 ALA HB2 H 1 1.456 0.005 . 1 . . . . 137 ALA HB1 . 19056 1 130 . 1 1 28 28 ALA HB3 H 1 1.456 0.005 . 1 . . . . 137 ALA HB1 . 19056 1 131 . 1 1 28 28 ALA CA C 13 54.591 0.068 . 1 . . . . 137 ALA CA . 19056 1 132 . 1 1 28 28 ALA CB C 13 19.599 0.100 . 1 . . . . 137 ALA CB . 19056 1 133 . 1 1 28 28 ALA N N 15 117.608 0.083 . 1 . . . . 137 ALA N . 19056 1 134 . 1 1 29 29 ILE H H 1 7.162 0.014 . 1 . . . . 138 ILE H . 19056 1 135 . 1 1 29 29 ILE HA H 1 4.557 0.012 . 1 . . . . 138 ILE HA . 19056 1 136 . 1 1 29 29 ILE HB H 1 2.014 0.015 . 1 . . . . 138 ILE HB . 19056 1 137 . 1 1 29 29 ILE HG12 H 1 1.533 0.010 . 2 . . . . 138 ILE HG12 . 19056 1 138 . 1 1 29 29 ILE HG13 H 1 1.291 0.005 . 2 . . . . 138 ILE HG13 . 19056 1 139 . 1 1 29 29 ILE HG21 H 1 1.181 0.013 . 1 . . . . 138 ILE HG21 . 19056 1 140 . 1 1 29 29 ILE HG22 H 1 1.181 0.013 . 1 . . . . 138 ILE HG21 . 19056 1 141 . 1 1 29 29 ILE HG23 H 1 1.181 0.013 . 1 . . . . 138 ILE HG21 . 19056 1 142 . 1 1 29 29 ILE HD11 H 1 0.852 0.010 . 1 . . . . 138 ILE HD11 . 19056 1 143 . 1 1 29 29 ILE HD12 H 1 0.852 0.010 . 1 . . . . 138 ILE HD11 . 19056 1 144 . 1 1 29 29 ILE HD13 H 1 0.852 0.010 . 1 . . . . 138 ILE HD11 . 19056 1 145 . 1 1 29 29 ILE CA C 13 59.471 0.072 . 1 . . . . 138 ILE CA . 19056 1 146 . 1 1 29 29 ILE CB C 13 39.926 0.066 . 1 . . . . 138 ILE CB . 19056 1 147 . 1 1 29 29 ILE CG1 C 13 24.214 0.150 . 1 . . . . 138 ILE CG1 . 19056 1 148 . 1 1 29 29 ILE CG2 C 13 20.598 0.150 . 1 . . . . 138 ILE CG2 . 19056 1 149 . 1 1 29 29 ILE CD1 C 13 16.262 0.001 . 1 . . . . 138 ILE CD1 . 19056 1 150 . 1 1 29 29 ILE N N 15 106.741 0.042 . 1 . . . . 138 ILE N . 19056 1 151 . 1 1 30 30 LYS H H 1 7.073 0.010 . 1 . . . . 139 LYS H . 19056 1 152 . 1 1 30 30 LYS HA H 1 4.253 0.013 . 1 . . . . 139 LYS HA . 19056 1 153 . 1 1 30 30 LYS HB2 H 1 1.855 0.019 . 2 . . . . 139 LYS HB2 . 19056 1 154 . 1 1 30 30 LYS HB3 H 1 1.760 0.010 . 2 . . . . 139 LYS HB3 . 19056 1 155 . 1 1 30 30 LYS HG2 H 1 1.391 0.011 . 2 . . . . 139 LYS HG2 . 19056 1 156 . 1 1 30 30 LYS HG3 H 1 1.276 0.010 . 2 . . . . 139 LYS HG3 . 19056 1 157 . 1 1 30 30 LYS HD2 H 1 1.634 0.005 . 2 . . . . 139 LYS HD2 . 19056 1 158 . 1 1 30 30 LYS HE2 H 1 2.981 0.005 . 2 . . . . 139 LYS HE2 . 19056 1 159 . 1 1 30 30 LYS HE3 H 1 2.767 0.010 . 2 . . . . 139 LYS HE3 . 19056 1 160 . 1 1 30 30 LYS CA C 13 59.221 0.013 . 1 . . . . 139 LYS CA . 19056 1 161 . 1 1 30 30 LYS CB C 13 33.194 0.077 . 1 . . . . 139 LYS CB . 19056 1 162 . 1 1 30 30 LYS CG C 13 25.888 0.150 . 1 . . . . 139 LYS CG . 19056 1 163 . 1 1 30 30 LYS CD C 13 30.292 0.002 . 1 . . . . 139 LYS CD . 19056 1 164 . 1 1 30 30 LYS CE C 13 42.549 0.150 . 1 . . . . 139 LYS CE . 19056 1 165 . 1 1 30 30 LYS N N 15 123.628 0.038 . 1 . . . . 139 LYS N . 19056 1 166 . 1 1 31 31 ASP H H 1 10.330 0.010 . 1 . . . . 140 ASP H . 19056 1 167 . 1 1 31 31 ASP HA H 1 4.373 0.010 . 1 . . . . 140 ASP HA . 19056 1 168 . 1 1 31 31 ASP HB2 H 1 2.924 0.006 . 2 . . . . 140 ASP HB2 . 19056 1 169 . 1 1 31 31 ASP HB3 H 1 2.700 0.015 . 2 . . . . 140 ASP HB3 . 19056 1 170 . 1 1 31 31 ASP CA C 13 56.483 0.042 . 1 . . . . 140 ASP CA . 19056 1 171 . 1 1 31 31 ASP CB C 13 40.079 0.052 . 1 . . . . 140 ASP CB . 19056 1 172 . 1 1 31 31 ASP N N 15 125.202 0.047 . 1 . . . . 140 ASP N . 19056 1 173 . 1 1 32 32 LYS H H 1 6.874 0.015 . 1 . . . . 141 LYS H . 19056 1 174 . 1 1 32 32 LYS HA H 1 4.261 0.011 . 1 . . . . 141 LYS HA . 19056 1 175 . 1 1 32 32 LYS HB2 H 1 1.629 0.016 . 2 . . . . 141 LYS HB2 . 19056 1 176 . 1 1 32 32 LYS HG2 H 1 1.432 0.014 . 2 . . . . 141 LYS HG2 . 19056 1 177 . 1 1 32 32 LYS HG3 H 1 1.284 0.002 . 2 . . . . 141 LYS HG3 . 19056 1 178 . 1 1 32 32 LYS HD2 H 1 1.816 0.004 . 2 . . . . 141 LYS HD2 . 19056 1 179 . 1 1 32 32 LYS HE2 H 1 3.048 0.004 . 2 . . . . 141 LYS HE2 . 19056 1 180 . 1 1 32 32 LYS CA C 13 56.269 0.099 . 1 . . . . 141 LYS CA . 19056 1 181 . 1 1 32 32 LYS CB C 13 34.939 0.057 . 1 . . . . 141 LYS CB . 19056 1 182 . 1 1 32 32 LYS CG C 13 25.182 0.150 . 1 . . . . 141 LYS CG . 19056 1 183 . 1 1 32 32 LYS CD C 13 29.728 0.150 . 1 . . . . 141 LYS CD . 19056 1 184 . 1 1 32 32 LYS CE C 13 42.702 0.150 . 1 . . . . 141 LYS CE . 19056 1 185 . 1 1 32 32 LYS N N 15 118.746 0.034 . 1 . . . . 141 LYS N . 19056 1 186 . 1 1 33 33 ASP H H 1 9.006 0.011 . 1 . . . . 142 ASP H . 19056 1 187 . 1 1 33 33 ASP HA H 1 4.321 0.016 . 1 . . . . 142 ASP HA . 19056 1 188 . 1 1 33 33 ASP HB2 H 1 2.696 0.015 . 2 . . . . 142 ASP HB2 . 19056 1 189 . 1 1 33 33 ASP CA C 13 56.381 0.020 . 1 . . . . 142 ASP CA . 19056 1 190 . 1 1 33 33 ASP CB C 13 42.004 0.030 . 1 . . . . 142 ASP CB . 19056 1 191 . 1 1 33 33 ASP N N 15 127.529 0.083 . 1 . . . . 142 ASP N . 19056 1 192 . 1 1 34 34 HIS H H 1 8.799 0.011 . 1 . . . . 143 HIS H . 19056 1 193 . 1 1 34 34 HIS HA H 1 4.841 0.019 . 1 . . . . 143 HIS HA . 19056 1 194 . 1 1 34 34 HIS HB2 H 1 3.172 0.009 . 2 . . . . 143 HIS HB2 . 19056 1 195 . 1 1 34 34 HIS CA C 13 53.562 0.024 . 1 . . . . 143 HIS CA . 19056 1 196 . 1 1 34 34 HIS CB C 13 28.113 0.043 . 1 . . . . 143 HIS CB . 19056 1 197 . 1 1 34 34 HIS N N 15 123.078 0.071 . 1 . . . . 143 HIS N . 19056 1 198 . 1 1 35 35 SER H H 1 7.926 0.004 . 1 . . . . 144 SER H . 19056 1 199 . 1 1 35 35 SER HB2 H 1 3.744 0.039 . 2 . . . . 144 SER HB2 . 19056 1 200 . 1 1 35 35 SER CA C 13 59.959 0.096 . 1 . . . . 144 SER CA . 19056 1 201 . 1 1 35 35 SER CB C 13 63.980 0.060 . 1 . . . . 144 SER CB . 19056 1 202 . 1 1 35 35 SER N N 15 117.713 0.115 . 1 . . . . 144 SER N . 19056 1 203 . 1 1 36 36 ALA H H 1 8.612 0.007 . 1 . . . . 145 ALA H . 19056 1 204 . 1 1 36 36 ALA CA C 13 49.881 0.150 . 1 . . . . 145 ALA CA . 19056 1 205 . 1 1 36 36 ALA CB C 13 20.362 0.150 . 1 . . . . 145 ALA CB . 19056 1 206 . 1 1 36 36 ALA N N 15 125.497 0.150 . 1 . . . . 145 ALA N . 19056 1 207 . 1 1 37 37 PRO HA H 1 4.305 0.009 . 1 . . . . 146 PRO HA . 19056 1 208 . 1 1 37 37 PRO HB2 H 1 2.329 0.008 . 2 . . . . 146 PRO HB2 . 19056 1 209 . 1 1 37 37 PRO HB3 H 1 1.954 0.010 . 2 . . . . 146 PRO HB3 . 19056 1 210 . 1 1 37 37 PRO CA C 13 64.972 0.023 . 1 . . . . 146 PRO CA . 19056 1 211 . 1 1 37 37 PRO CB C 13 32.611 0.095 . 1 . . . . 146 PRO CB . 19056 1 212 . 1 1 37 37 PRO CG C 13 27.524 0.150 . 1 . . . . 146 PRO CG . 19056 1 213 . 1 1 37 37 PRO CD C 13 51.090 0.150 . 1 . . . . 146 PRO CD . 19056 1 214 . 1 1 38 38 ASN H H 1 8.600 0.009 . 1 . . . . 147 ASN H . 19056 1 215 . 1 1 38 38 ASN HA H 1 5.062 0.010 . 1 . . . . 147 ASN HA . 19056 1 216 . 1 1 38 38 ASN HB2 H 1 3.043 0.017 . 2 . . . . 147 ASN HB2 . 19056 1 217 . 1 1 38 38 ASN HB3 H 1 2.837 0.009 . 2 . . . . 147 ASN HB3 . 19056 1 218 . 1 1 38 38 ASN CA C 13 52.429 0.056 . 1 . . . . 147 ASN CA . 19056 1 219 . 1 1 38 38 ASN CB C 13 37.647 0.044 . 1 . . . . 147 ASN CB . 19056 1 220 . 1 1 38 38 ASN N N 15 117.281 0.057 . 1 . . . . 147 ASN N . 19056 1 221 . 1 1 39 39 SER H H 1 7.825 0.008 . 1 . . . . 148 SER H . 19056 1 222 . 1 1 39 39 SER HA H 1 4.915 0.008 . 1 . . . . 148 SER HA . 19056 1 223 . 1 1 39 39 SER HB2 H 1 3.672 0.009 . 2 . . . . 148 SER HB2 . 19056 1 224 . 1 1 39 39 SER CA C 13 57.541 0.021 . 1 . . . . 148 SER CA . 19056 1 225 . 1 1 39 39 SER CB C 13 67.550 0.044 . 1 . . . . 148 SER CB . 19056 1 226 . 1 1 39 39 SER N N 15 113.898 0.029 . 1 . . . . 148 SER N . 19056 1 227 . 1 1 40 40 ARG H H 1 8.646 0.007 . 1 . . . . 149 ARG H . 19056 1 228 . 1 1 40 40 ARG HA H 1 4.913 0.007 . 1 . . . . 149 ARG HA . 19056 1 229 . 1 1 40 40 ARG HB2 H 1 1.543 0.015 . 2 . . . . 149 ARG HB2 . 19056 1 230 . 1 1 40 40 ARG CA C 13 53.362 0.150 . 1 . . . . 149 ARG CA . 19056 1 231 . 1 1 40 40 ARG CB C 13 32.933 0.150 . 1 . . . . 149 ARG CB . 19056 1 232 . 1 1 40 40 ARG N N 15 118.457 0.060 . 1 . . . . 149 ARG N . 19056 1 233 . 1 1 41 41 PRO HA H 1 5.217 0.009 . 1 . . . . 150 PRO HA . 19056 1 234 . 1 1 41 41 PRO HB2 H 1 2.162 0.015 . 2 . . . . 150 PRO HB2 . 19056 1 235 . 1 1 41 41 PRO HB3 H 1 2.101 0.010 . 2 . . . . 150 PRO HB3 . 19056 1 236 . 1 1 41 41 PRO CA C 13 62.710 0.055 . 1 . . . . 150 PRO CA . 19056 1 237 . 1 1 41 41 PRO CB C 13 33.127 0.042 . 1 . . . . 150 PRO CB . 19056 1 238 . 1 1 41 41 PRO CG C 13 27.513 0.150 . 1 . . . . 150 PRO CG . 19056 1 239 . 1 1 41 41 PRO CD C 13 50.952 0.150 . 1 . . . . 150 PRO CD . 19056 1 240 . 1 1 42 42 ILE H H 1 8.686 0.008 . 1 . . . . 151 ILE H . 19056 1 241 . 1 1 42 42 ILE HA H 1 4.849 0.008 . 1 . . . . 151 ILE HA . 19056 1 242 . 1 1 42 42 ILE HB H 1 1.702 0.014 . 1 . . . . 151 ILE HB . 19056 1 243 . 1 1 42 42 ILE HG12 H 1 1.264 0.010 . 2 . . . . 151 ILE HG12 . 19056 1 244 . 1 1 42 42 ILE HG21 H 1 0.893 0.011 . 1 . . . . 151 ILE HG21 . 19056 1 245 . 1 1 42 42 ILE HG22 H 1 0.893 0.011 . 1 . . . . 151 ILE HG21 . 19056 1 246 . 1 1 42 42 ILE HG23 H 1 0.893 0.011 . 1 . . . . 151 ILE HG21 . 19056 1 247 . 1 1 42 42 ILE CA C 13 58.668 0.060 . 1 . . . . 151 ILE CA . 19056 1 248 . 1 1 42 42 ILE CB C 13 43.020 0.061 . 1 . . . . 151 ILE CB . 19056 1 249 . 1 1 42 42 ILE CG1 C 13 29.375 0.150 . 1 . . . . 151 ILE CG1 . 19056 1 250 . 1 1 42 42 ILE CG2 C 13 19.030 0.034 . 1 . . . . 151 ILE CG2 . 19056 1 251 . 1 1 42 42 ILE CD1 C 13 15.856 0.150 . 1 . . . . 151 ILE CD1 . 19056 1 252 . 1 1 42 42 ILE N N 15 118.960 0.053 . 1 . . . . 151 ILE N . 19056 1 253 . 1 1 43 43 ASP H H 1 8.492 0.006 . 1 . . . . 152 ASP H . 19056 1 254 . 1 1 43 43 ASP HA H 1 5.067 0.016 . 1 . . . . 152 ASP HA . 19056 1 255 . 1 1 43 43 ASP HB2 H 1 2.801 0.016 . 2 . . . . 152 ASP HB2 . 19056 1 256 . 1 1 43 43 ASP HB3 H 1 2.635 0.007 . 2 . . . . 152 ASP HB3 . 19056 1 257 . 1 1 43 43 ASP CA C 13 54.689 0.098 . 1 . . . . 152 ASP CA . 19056 1 258 . 1 1 43 43 ASP CB C 13 42.641 0.046 . 1 . . . . 152 ASP CB . 19056 1 259 . 1 1 43 43 ASP N N 15 127.929 0.039 . 1 . . . . 152 ASP N . 19056 1 260 . 1 1 44 44 PHE H H 1 7.852 0.007 . 1 . . . . 153 PHE H . 19056 1 261 . 1 1 44 44 PHE HA H 1 5.557 0.009 . 1 . . . . 153 PHE HA . 19056 1 262 . 1 1 44 44 PHE HB2 H 1 2.956 0.010 . 2 . . . . 153 PHE HB2 . 19056 1 263 . 1 1 44 44 PHE HB3 H 1 2.606 0.008 . 2 . . . . 153 PHE HB3 . 19056 1 264 . 1 1 44 44 PHE HD1 H 1 7.060 0.011 . 3 . . . . 153 PHE HD1 . 19056 1 265 . 1 1 44 44 PHE CA C 13 56.549 0.028 . 1 . . . . 153 PHE CA . 19056 1 266 . 1 1 44 44 PHE CB C 13 42.508 0.033 . 1 . . . . 153 PHE CB . 19056 1 267 . 1 1 44 44 PHE N N 15 113.776 0.033 . 1 . . . . 153 PHE N . 19056 1 268 . 1 1 45 45 GLU H H 1 8.721 0.011 . 1 . . . . 154 GLU H . 19056 1 269 . 1 1 45 45 GLU HA H 1 4.764 0.007 . 1 . . . . 154 GLU HA . 19056 1 270 . 1 1 45 45 GLU HB2 H 1 2.238 0.002 . 2 . . . . 154 GLU HB2 . 19056 1 271 . 1 1 45 45 GLU HB3 H 1 1.739 0.004 . 2 . . . . 154 GLU HB3 . 19056 1 272 . 1 1 45 45 GLU CA C 13 54.936 0.103 . 1 . . . . 154 GLU CA . 19056 1 273 . 1 1 45 45 GLU CB C 13 35.099 0.012 . 1 . . . . 154 GLU CB . 19056 1 274 . 1 1 45 45 GLU CG C 13 36.992 0.150 . 1 . . . . 154 GLU CG . 19056 1 275 . 1 1 45 45 GLU N N 15 117.721 0.048 . 1 . . . . 154 GLU N . 19056 1 276 . 1 1 46 46 MET H H 1 8.560 0.006 . 1 . . . . 155 MET H . 19056 1 277 . 1 1 46 46 MET HA H 1 5.523 0.010 . 1 . . . . 155 MET HA . 19056 1 278 . 1 1 46 46 MET HB2 H 1 2.420 0.008 . 2 . . . . 155 MET HB2 . 19056 1 279 . 1 1 46 46 MET CA C 13 53.670 0.056 . 1 . . . . 155 MET CA . 19056 1 280 . 1 1 46 46 MET CB C 13 36.169 0.036 . 1 . . . . 155 MET CB . 19056 1 281 . 1 1 46 46 MET CG C 13 33.010 0.150 . 1 . . . . 155 MET CG . 19056 1 282 . 1 1 46 46 MET N N 15 119.897 0.091 . 1 . . . . 155 MET N . 19056 1 283 . 1 1 47 47 LYS H H 1 9.747 0.009 . 1 . . . . 156 LYS H . 19056 1 284 . 1 1 47 47 LYS HA H 1 5.164 0.021 . 1 . . . . 156 LYS HA . 19056 1 285 . 1 1 47 47 LYS HB2 H 1 1.830 0.016 . 2 . . . . 156 LYS HB2 . 19056 1 286 . 1 1 47 47 LYS HG2 H 1 1.247 0.010 . 2 . . . . 156 LYS HG2 . 19056 1 287 . 1 1 47 47 LYS HD2 H 1 1.529 0.019 . 2 . . . . 156 LYS HD2 . 19056 1 288 . 1 1 47 47 LYS CA C 13 55.806 0.113 . 1 . . . . 156 LYS CA . 19056 1 289 . 1 1 47 47 LYS CB C 13 38.061 0.155 . 1 . . . . 156 LYS CB . 19056 1 290 . 1 1 47 47 LYS CG C 13 26.146 0.150 . 1 . . . . 156 LYS CG . 19056 1 291 . 1 1 47 47 LYS CD C 13 30.039 0.150 . 1 . . . . 156 LYS CD . 19056 1 292 . 1 1 47 47 LYS CE C 13 43.316 0.150 . 1 . . . . 156 LYS CE . 19056 1 293 . 1 1 47 47 LYS N N 15 124.278 0.074 . 1 . . . . 156 LYS N . 19056 1 294 . 1 1 48 48 LYS H H 1 9.108 0.008 . 1 . . . . 157 LYS H . 19056 1 295 . 1 1 48 48 LYS HA H 1 4.632 0.007 . 1 . . . . 157 LYS HA . 19056 1 296 . 1 1 48 48 LYS HB2 H 1 2.132 0.011 . 2 . . . . 157 LYS HB2 . 19056 1 297 . 1 1 48 48 LYS HB3 H 1 1.839 0.012 . 2 . . . . 157 LYS HB3 . 19056 1 298 . 1 1 48 48 LYS HG2 H 1 1.378 0.012 . 2 . . . . 157 LYS HG2 . 19056 1 299 . 1 1 48 48 LYS HG3 H 1 1.209 0.010 . 2 . . . . 157 LYS HG3 . 19056 1 300 . 1 1 48 48 LYS HD2 H 1 1.855 0.020 . 2 . . . . 157 LYS HD2 . 19056 1 301 . 1 1 48 48 LYS HD3 H 1 1.635 0.007 . 2 . . . . 157 LYS HD3 . 19056 1 302 . 1 1 48 48 LYS HE2 H 1 3.230 0.009 . 2 . . . . 157 LYS HE2 . 19056 1 303 . 1 1 48 48 LYS CA C 13 56.532 0.052 . 1 . . . . 157 LYS CA . 19056 1 304 . 1 1 48 48 LYS CB C 13 34.988 0.012 . 1 . . . . 157 LYS CB . 19056 1 305 . 1 1 48 48 LYS CG C 13 26.293 0.150 . 1 . . . . 157 LYS CG . 19056 1 306 . 1 1 48 48 LYS CD C 13 30.346 0.150 . 1 . . . . 157 LYS CD . 19056 1 307 . 1 1 48 48 LYS CE C 13 42.515 0.001 . 1 . . . . 157 LYS CE . 19056 1 308 . 1 1 48 48 LYS N N 15 119.350 0.082 . 1 . . . . 157 LYS N . 19056 1 309 . 1 1 49 49 LYS H H 1 9.162 0.010 . 1 . . . . 158 LYS H . 19056 1 310 . 1 1 49 49 LYS HA H 1 3.572 0.007 . 1 . . . . 158 LYS HA . 19056 1 311 . 1 1 49 49 LYS HB2 H 1 1.500 0.013 . 2 . . . . 158 LYS HB2 . 19056 1 312 . 1 1 49 49 LYS HB3 H 1 1.193 0.014 . 2 . . . . 158 LYS HB3 . 19056 1 313 . 1 1 49 49 LYS HG2 H 1 0.763 0.010 . 2 . . . . 158 LYS HG2 . 19056 1 314 . 1 1 49 49 LYS HD2 H 1 1.026 0.010 . 2 . . . . 158 LYS HD2 . 19056 1 315 . 1 1 49 49 LYS HE2 H 1 2.646 0.014 . 2 . . . . 158 LYS HE2 . 19056 1 316 . 1 1 49 49 LYS CA C 13 59.990 0.072 . 1 . . . . 158 LYS CA . 19056 1 317 . 1 1 49 49 LYS CB C 13 32.390 0.030 . 1 . . . . 158 LYS CB . 19056 1 318 . 1 1 49 49 LYS CG C 13 24.849 0.150 . 1 . . . . 158 LYS CG . 19056 1 319 . 1 1 49 49 LYS CD C 13 29.414 0.150 . 1 . . . . 158 LYS CD . 19056 1 320 . 1 1 49 49 LYS CE C 13 42.110 0.150 . 1 . . . . 158 LYS CE . 19056 1 321 . 1 1 49 49 LYS N N 15 123.850 0.079 . 1 . . . . 158 LYS N . 19056 1 322 . 1 1 50 50 ASP H H 1 7.465 0.013 . 1 . . . . 159 ASP H . 19056 1 323 . 1 1 50 50 ASP HA H 1 4.436 0.009 . 1 . . . . 159 ASP HA . 19056 1 324 . 1 1 50 50 ASP HB2 H 1 3.106 0.008 . 2 . . . . 159 ASP HB2 . 19056 1 325 . 1 1 50 50 ASP HB3 H 1 2.569 0.015 . 2 . . . . 159 ASP HB3 . 19056 1 326 . 1 1 50 50 ASP CA C 13 53.685 0.068 . 1 . . . . 159 ASP CA . 19056 1 327 . 1 1 50 50 ASP CB C 13 40.476 0.086 . 1 . . . . 159 ASP CB . 19056 1 328 . 1 1 50 50 ASP N N 15 114.320 0.048 . 1 . . . . 159 ASP N . 19056 1 329 . 1 1 51 51 GLY H H 1 8.026 0.012 . 1 . . . . 160 GLY H . 19056 1 330 . 1 1 51 51 GLY HA2 H 1 4.373 0.011 . 2 . . . . 160 GLY HA2 . 19056 1 331 . 1 1 51 51 GLY HA3 H 1 3.620 0.012 . 2 . . . . 160 GLY HA3 . 19056 1 332 . 1 1 51 51 GLY CA C 13 45.950 0.026 . 1 . . . . 160 GLY CA . 19056 1 333 . 1 1 51 51 GLY N N 15 107.749 0.028 . 1 . . . . 160 GLY N . 19056 1 334 . 1 1 52 52 THR H H 1 8.090 0.007 . 1 . . . . 161 THR H . 19056 1 335 . 1 1 52 52 THR HA H 1 4.424 0.007 . 1 . . . . 161 THR HA . 19056 1 336 . 1 1 52 52 THR HB H 1 4.280 0.007 . 1 . . . . 161 THR HB . 19056 1 337 . 1 1 52 52 THR HG21 H 1 1.269 0.013 . 1 . . . . 161 THR HG21 . 19056 1 338 . 1 1 52 52 THR HG22 H 1 1.180 0.005 . 1 . . . . 161 THR HG22 . 19056 1 339 . 1 1 52 52 THR HG23 H 1 1.180 0.005 . 1 . . . . 161 THR HG22 . 19056 1 340 . 1 1 52 52 THR CA C 13 62.114 0.077 . 1 . . . . 161 THR CA . 19056 1 341 . 1 1 52 52 THR CB C 13 71.056 0.048 . 1 . . . . 161 THR CB . 19056 1 342 . 1 1 52 52 THR CG2 C 13 22.320 0.150 . 1 . . . . 161 THR CG2 . 19056 1 343 . 1 1 52 52 THR N N 15 113.038 0.063 . 1 . . . . 161 THR N . 19056 1 344 . 1 1 53 53 GLN H H 1 8.555 0.006 . 1 . . . . 162 GLN H . 19056 1 345 . 1 1 53 53 GLN HA H 1 4.226 0.012 . 1 . . . . 162 GLN HA . 19056 1 346 . 1 1 53 53 GLN HB2 H 1 1.923 0.012 . 2 . . . . 162 GLN HB2 . 19056 1 347 . 1 1 53 53 GLN HG2 H 1 2.259 0.011 . 2 . . . . 162 GLN HG2 . 19056 1 348 . 1 1 53 53 GLN HG3 H 1 2.124 0.010 . 2 . . . . 162 GLN HG3 . 19056 1 349 . 1 1 53 53 GLN CA C 13 58.220 0.057 . 1 . . . . 162 GLN CA . 19056 1 350 . 1 1 53 53 GLN CB C 13 31.115 0.102 . 1 . . . . 162 GLN CB . 19056 1 351 . 1 1 53 53 GLN CG C 13 34.855 0.004 . 1 . . . . 162 GLN CG . 19056 1 352 . 1 1 53 53 GLN N N 15 119.814 0.079 . 1 . . . . 162 GLN N . 19056 1 353 . 1 1 54 54 GLN H H 1 8.627 0.014 . 1 . . . . 163 GLN H . 19056 1 354 . 1 1 54 54 GLN HA H 1 4.745 0.150 . 1 . . . . 163 GLN HA . 19056 1 355 . 1 1 54 54 GLN HB2 H 1 2.139 0.007 . 2 . . . . 163 GLN HB2 . 19056 1 356 . 1 1 54 54 GLN CA C 13 53.987 0.040 . 1 . . . . 163 GLN CA . 19056 1 357 . 1 1 54 54 GLN CB C 13 31.155 0.150 . 1 . . . . 163 GLN CB . 19056 1 358 . 1 1 54 54 GLN N N 15 127.994 0.058 . 1 . . . . 163 GLN N . 19056 1 359 . 1 1 58 58 TYR HA H 1 4.358 0.016 . 1 . . . . 167 TYR HA . 19056 1 360 . 1 1 58 58 TYR HB2 H 1 3.807 0.010 . 2 . . . . 167 TYR HB2 . 19056 1 361 . 1 1 58 58 TYR HB3 H 1 3.712 0.010 . 2 . . . . 167 TYR HB3 . 19056 1 362 . 1 1 58 58 TYR CA C 13 59.957 0.150 . 1 . . . . 167 TYR CA . 19056 1 363 . 1 1 58 58 TYR CB C 13 42.798 0.150 . 1 . . . . 167 TYR CB . 19056 1 364 . 1 1 59 59 ALA H H 1 7.922 0.014 . 1 . . . . 168 ALA H . 19056 1 365 . 1 1 59 59 ALA HA H 1 3.852 0.009 . 1 . . . . 168 ALA HA . 19056 1 366 . 1 1 59 59 ALA HB1 H 1 1.102 0.008 . 1 . . . . 168 ALA HB1 . 19056 1 367 . 1 1 59 59 ALA HB2 H 1 1.102 0.008 . 1 . . . . 168 ALA HB1 . 19056 1 368 . 1 1 59 59 ALA HB3 H 1 1.102 0.008 . 1 . . . . 168 ALA HB1 . 19056 1 369 . 1 1 59 59 ALA CA C 13 54.569 0.045 . 1 . . . . 168 ALA CA . 19056 1 370 . 1 1 59 59 ALA CB C 13 18.855 0.295 . 1 . . . . 168 ALA CB . 19056 1 371 . 1 1 59 59 ALA N N 15 125.744 0.150 . 1 . . . . 168 ALA N . 19056 1 372 . 1 1 60 60 SER H H 1 7.651 0.012 . 1 . . . . 169 SER H . 19056 1 373 . 1 1 60 60 SER HA H 1 4.359 0.012 . 1 . . . . 169 SER HA . 19056 1 374 . 1 1 60 60 SER HB2 H 1 3.825 0.014 . 2 . . . . 169 SER HB2 . 19056 1 375 . 1 1 60 60 SER HB3 H 1 3.724 0.008 . 2 . . . . 169 SER HB3 . 19056 1 376 . 1 1 60 60 SER CA C 13 57.610 0.057 . 1 . . . . 169 SER CA . 19056 1 377 . 1 1 60 60 SER CB C 13 63.774 0.065 . 1 . . . . 169 SER CB . 19056 1 378 . 1 1 60 60 SER N N 15 109.841 0.041 . 1 . . . . 169 SER N . 19056 1 379 . 1 1 61 61 SER H H 1 7.077 0.016 . 1 . . . . 170 SER H . 19056 1 380 . 1 1 61 61 SER HA H 1 5.059 0.013 . 1 . . . . 170 SER HA . 19056 1 381 . 1 1 61 61 SER HB2 H 1 3.930 0.002 . 2 . . . . 170 SER HB2 . 19056 1 382 . 1 1 61 61 SER CA C 13 57.659 0.012 . 1 . . . . 170 SER CA . 19056 1 383 . 1 1 61 61 SER CB C 13 66.062 0.058 . 1 . . . . 170 SER CB . 19056 1 384 . 1 1 61 61 SER N N 15 114.660 0.036 . 1 . . . . 170 SER N . 19056 1 385 . 1 1 62 62 VAL H H 1 8.841 0.008 . 1 . . . . 171 VAL H . 19056 1 386 . 1 1 62 62 VAL HA H 1 3.793 0.011 . 1 . . . . 171 VAL HA . 19056 1 387 . 1 1 62 62 VAL HB H 1 1.977 0.007 . 1 . . . . 171 VAL HB . 19056 1 388 . 1 1 62 62 VAL HG11 H 1 0.969 0.011 . 2 . . . . 171 VAL HG11 . 19056 1 389 . 1 1 62 62 VAL HG12 H 1 0.969 0.011 . 2 . . . . 171 VAL HG11 . 19056 1 390 . 1 1 62 62 VAL HG13 H 1 0.969 0.011 . 2 . . . . 171 VAL HG11 . 19056 1 391 . 1 1 62 62 VAL HG21 H 1 0.252 0.007 . 2 . . . . 171 VAL HG21 . 19056 1 392 . 1 1 62 62 VAL HG22 H 1 0.252 0.007 . 2 . . . . 171 VAL HG21 . 19056 1 393 . 1 1 62 62 VAL HG23 H 1 0.252 0.007 . 2 . . . . 171 VAL HG21 . 19056 1 394 . 1 1 62 62 VAL CA C 13 63.615 0.033 . 1 . . . . 171 VAL CA . 19056 1 395 . 1 1 62 62 VAL CB C 13 32.205 0.006 . 1 . . . . 171 VAL CB . 19056 1 396 . 1 1 62 62 VAL CG1 C 13 24.898 0.150 . 2 . . . . 171 VAL CG1 . 19056 1 397 . 1 1 62 62 VAL N N 15 127.155 0.034 . 1 . . . . 171 VAL N . 19056 1 398 . 1 1 63 63 LYS H H 1 8.311 0.016 . 1 . . . . 172 LYS H . 19056 1 399 . 1 1 63 63 LYS HA H 1 4.849 0.006 . 1 . . . . 172 LYS HA . 19056 1 400 . 1 1 63 63 LYS HB2 H 1 1.524 0.016 . 2 . . . . 172 LYS HB2 . 19056 1 401 . 1 1 63 63 LYS HB3 H 1 1.164 0.012 . 2 . . . . 172 LYS HB3 . 19056 1 402 . 1 1 63 63 LYS CA C 13 53.456 0.150 . 1 . . . . 172 LYS CA . 19056 1 403 . 1 1 63 63 LYS CB C 13 32.814 0.150 . 1 . . . . 172 LYS CB . 19056 1 404 . 1 1 63 63 LYS N N 15 126.424 0.034 . 1 . . . . 172 LYS N . 19056 1 405 . 1 1 64 64 PRO CA C 13 63.965 0.133 . 1 . . . . 173 PRO CA . 19056 1 406 . 1 1 64 64 PRO CB C 13 34.591 0.030 . 1 . . . . 173 PRO CB . 19056 1 407 . 1 1 64 64 PRO CG C 13 30.627 0.150 . 1 . . . . 173 PRO CG . 19056 1 408 . 1 1 65 65 ALA H H 1 8.227 0.009 . 1 . . . . 174 ALA H . 19056 1 409 . 1 1 65 65 ALA HA H 1 5.293 0.014 . 1 . . . . 174 ALA HA . 19056 1 410 . 1 1 65 65 ALA HB1 H 1 1.607 0.015 . 1 . . . . 174 ALA HB1 . 19056 1 411 . 1 1 65 65 ALA HB2 H 1 1.607 0.015 . 1 . . . . 174 ALA HB1 . 19056 1 412 . 1 1 65 65 ALA HB3 H 1 1.607 0.015 . 1 . . . . 174 ALA HB1 . 19056 1 413 . 1 1 65 65 ALA CA C 13 52.642 0.089 . 1 . . . . 174 ALA CA . 19056 1 414 . 1 1 65 65 ALA CB C 13 19.544 0.106 . 1 . . . . 174 ALA CB . 19056 1 415 . 1 1 65 65 ALA N N 15 120.165 0.014 . 1 . . . . 174 ALA N . 19056 1 416 . 1 1 66 66 ARG H H 1 8.291 0.008 . 1 . . . . 175 ARG H . 19056 1 417 . 1 1 66 66 ARG HA H 1 5.219 0.013 . 1 . . . . 175 ARG HA . 19056 1 418 . 1 1 66 66 ARG HB2 H 1 1.566 0.011 . 2 . . . . 175 ARG HB2 . 19056 1 419 . 1 1 66 66 ARG HD2 H 1 2.943 0.009 . 2 . . . . 175 ARG HD2 . 19056 1 420 . 1 1 66 66 ARG CA C 13 55.099 0.020 . 1 . . . . 175 ARG CA . 19056 1 421 . 1 1 66 66 ARG CB C 13 34.224 0.090 . 1 . . . . 175 ARG CB . 19056 1 422 . 1 1 66 66 ARG CG C 13 27.369 0.150 . 1 . . . . 175 ARG CG . 19056 1 423 . 1 1 66 66 ARG CD C 13 42.972 0.150 . 1 . . . . 175 ARG CD . 19056 1 424 . 1 1 66 66 ARG N N 15 115.627 0.096 . 1 . . . . 175 ARG N . 19056 1 425 . 1 1 67 67 VAL H H 1 9.017 0.009 . 1 . . . . 176 VAL H . 19056 1 426 . 1 1 67 67 VAL HA H 1 4.472 0.010 . 1 . . . . 176 VAL HA . 19056 1 427 . 1 1 67 67 VAL HB H 1 1.479 0.010 . 1 . . . . 176 VAL HB . 19056 1 428 . 1 1 67 67 VAL HG11 H 1 0.688 0.013 . 2 . . . . 176 VAL HG11 . 19056 1 429 . 1 1 67 67 VAL HG12 H 1 0.688 0.013 . 2 . . . . 176 VAL HG11 . 19056 1 430 . 1 1 67 67 VAL HG13 H 1 0.688 0.013 . 2 . . . . 176 VAL HG11 . 19056 1 431 . 1 1 67 67 VAL HG21 H 1 0.543 0.009 . 2 . . . . 176 VAL HG21 . 19056 1 432 . 1 1 67 67 VAL HG22 H 1 0.543 0.009 . 2 . . . . 176 VAL HG21 . 19056 1 433 . 1 1 67 67 VAL HG23 H 1 0.543 0.009 . 2 . . . . 176 VAL HG21 . 19056 1 434 . 1 1 67 67 VAL CA C 13 60.765 0.067 . 1 . . . . 176 VAL CA . 19056 1 435 . 1 1 67 67 VAL CB C 13 33.457 0.074 . 1 . . . . 176 VAL CB . 19056 1 436 . 1 1 67 67 VAL CG1 C 13 22.090 0.150 . 2 . . . . 176 VAL CG1 . 19056 1 437 . 1 1 67 67 VAL CG2 C 13 20.027 0.001 . 2 . . . . 176 VAL CG2 . 19056 1 438 . 1 1 67 67 VAL N N 15 122.134 0.069 . 1 . . . . 176 VAL N . 19056 1 439 . 1 1 68 68 ILE H H 1 9.486 0.005 . 1 . . . . 177 ILE H . 19056 1 440 . 1 1 68 68 ILE HA H 1 3.658 0.012 . 1 . . . . 177 ILE HA . 19056 1 441 . 1 1 68 68 ILE HB H 1 1.679 0.014 . 1 . . . . 177 ILE HB . 19056 1 442 . 1 1 68 68 ILE HG12 H 1 1.119 0.012 . 2 . . . . 177 ILE HG12 . 19056 1 443 . 1 1 68 68 ILE HG21 H 1 0.715 0.010 . 1 . . . . 177 ILE HG21 . 19056 1 444 . 1 1 68 68 ILE HG22 H 1 0.715 0.010 . 1 . . . . 177 ILE HG21 . 19056 1 445 . 1 1 68 68 ILE HG23 H 1 0.715 0.010 . 1 . . . . 177 ILE HG21 . 19056 1 446 . 1 1 68 68 ILE HD11 H 1 0.521 0.013 . 1 . . . . 177 ILE HD11 . 19056 1 447 . 1 1 68 68 ILE HD12 H 1 0.521 0.013 . 1 . . . . 177 ILE HD11 . 19056 1 448 . 1 1 68 68 ILE HD13 H 1 0.521 0.013 . 1 . . . . 177 ILE HD11 . 19056 1 449 . 1 1 68 68 ILE CA C 13 60.470 0.066 . 1 . . . . 177 ILE CA . 19056 1 450 . 1 1 68 68 ILE CB C 13 39.348 0.007 . 1 . . . . 177 ILE CB . 19056 1 451 . 1 1 68 68 ILE CG1 C 13 28.686 0.150 . 1 . . . . 177 ILE CG1 . 19056 1 452 . 1 1 68 68 ILE CG2 C 13 18.050 0.150 . 1 . . . . 177 ILE CG2 . 19056 1 453 . 1 1 68 68 ILE CD1 C 13 14.240 0.001 . 1 . . . . 177 ILE CD1 . 19056 1 454 . 1 1 68 68 ILE N N 15 128.305 0.065 . 1 . . . . 177 ILE N . 19056 1 455 . 1 1 69 69 PHE H H 1 7.504 0.013 . 1 . . . . 178 PHE H . 19056 1 456 . 1 1 69 69 PHE HA H 1 5.055 0.017 . 1 . . . . 178 PHE HA . 19056 1 457 . 1 1 69 69 PHE HB2 H 1 3.343 0.018 . 2 . . . . 178 PHE HB2 . 19056 1 458 . 1 1 69 69 PHE HB3 H 1 2.707 0.013 . 2 . . . . 178 PHE HB3 . 19056 1 459 . 1 1 69 69 PHE HD1 H 1 7.106 0.011 . 3 . . . . 178 PHE HD1 . 19056 1 460 . 1 1 69 69 PHE CA C 13 57.063 0.016 . 1 . . . . 178 PHE CA . 19056 1 461 . 1 1 69 69 PHE CB C 13 38.933 0.068 . 1 . . . . 178 PHE CB . 19056 1 462 . 1 1 69 69 PHE N N 15 125.630 0.073 . 1 . . . . 178 PHE N . 19056 1 463 . 1 1 70 70 THR H H 1 8.932 0.009 . 1 . . . . 179 THR H . 19056 1 464 . 1 1 70 70 THR HA H 1 4.872 0.006 . 1 . . . . 179 THR HA . 19056 1 465 . 1 1 70 70 THR HB H 1 4.561 0.010 . 1 . . . . 179 THR HB . 19056 1 466 . 1 1 70 70 THR HG21 H 1 1.235 0.014 . 1 . . . . 179 THR HG21 . 19056 1 467 . 1 1 70 70 THR HG22 H 1 1.235 0.014 . 1 . . . . 179 THR HG21 . 19056 1 468 . 1 1 70 70 THR HG23 H 1 1.235 0.014 . 1 . . . . 179 THR HG21 . 19056 1 469 . 1 1 70 70 THR CA C 13 60.741 0.046 . 1 . . . . 179 THR CA . 19056 1 470 . 1 1 70 70 THR CB C 13 72.358 0.025 . 1 . . . . 179 THR CB . 19056 1 471 . 1 1 70 70 THR N N 15 114.426 0.097 . 1 . . . . 179 THR N . 19056 1 472 . 1 1 71 71 ASP H H 1 8.444 0.008 . 1 . . . . 180 ASP H . 19056 1 473 . 1 1 71 71 ASP HA H 1 4.744 0.008 . 1 . . . . 180 ASP HA . 19056 1 474 . 1 1 71 71 ASP HB2 H 1 2.787 0.009 . 2 . . . . 180 ASP HB2 . 19056 1 475 . 1 1 71 71 ASP CA C 13 54.899 0.043 . 1 . . . . 180 ASP CA . 19056 1 476 . 1 1 71 71 ASP CB C 13 41.255 0.056 . 1 . . . . 180 ASP CB . 19056 1 477 . 1 1 71 71 ASP N N 15 117.624 0.058 . 1 . . . . 180 ASP N . 19056 1 478 . 1 1 72 72 SER H H 1 8.705 0.006 . 1 . . . . 181 SER H . 19056 1 479 . 1 1 72 72 SER HA H 1 4.519 0.016 . 1 . . . . 181 SER HA . 19056 1 480 . 1 1 72 72 SER HB2 H 1 3.809 0.012 . 2 . . . . 181 SER HB2 . 19056 1 481 . 1 1 72 72 SER CA C 13 58.005 0.050 . 1 . . . . 181 SER CA . 19056 1 482 . 1 1 72 72 SER CB C 13 63.655 0.107 . 1 . . . . 181 SER CB . 19056 1 483 . 1 1 72 72 SER N N 15 115.354 0.040 . 1 . . . . 181 SER N . 19056 1 484 . 1 1 73 73 LYS H H 1 8.117 0.009 . 1 . . . . 182 LYS H . 19056 1 485 . 1 1 73 73 LYS HA H 1 4.686 0.010 . 1 . . . . 182 LYS HA . 19056 1 486 . 1 1 73 73 LYS HB2 H 1 1.488 0.007 . 2 . . . . 182 LYS HB2 . 19056 1 487 . 1 1 73 73 LYS CA C 13 54.920 0.150 . 1 . . . . 182 LYS CA . 19056 1 488 . 1 1 73 73 LYS CB C 13 33.557 0.150 . 1 . . . . 182 LYS CB . 19056 1 489 . 1 1 73 73 LYS N N 15 124.438 0.142 . 1 . . . . 182 LYS N . 19056 1 490 . 1 1 74 74 PRO HA H 1 4.612 0.009 . 1 . . . . 183 PRO HA . 19056 1 491 . 1 1 74 74 PRO HB2 H 1 1.948 0.011 . 2 . . . . 183 PRO HB2 . 19056 1 492 . 1 1 74 74 PRO HB3 H 1 1.673 0.002 . 2 . . . . 183 PRO HB3 . 19056 1 493 . 1 1 74 74 PRO HG2 H 1 1.472 0.019 . 2 . . . . 183 PRO HG2 . 19056 1 494 . 1 1 74 74 PRO HD2 H 1 2.962 0.014 . 2 . . . . 183 PRO HD2 . 19056 1 495 . 1 1 74 74 PRO CA C 13 63.591 0.040 . 1 . . . . 183 PRO CA . 19056 1 496 . 1 1 74 74 PRO CB C 13 32.518 0.154 . 1 . . . . 183 PRO CB . 19056 1 497 . 1 1 74 74 PRO CG C 13 27.427 0.150 . 1 . . . . 183 PRO CG . 19056 1 498 . 1 1 75 75 GLU H H 1 8.238 0.012 . 1 . . . . 184 GLU H . 19056 1 499 . 1 1 75 75 GLU HA H 1 4.889 0.008 . 1 . . . . 184 GLU HA . 19056 1 500 . 1 1 75 75 GLU HB2 H 1 1.708 0.012 . 2 . . . . 184 GLU HB2 . 19056 1 501 . 1 1 75 75 GLU HB3 H 1 1.763 0.001 . 2 . . . . 184 GLU HB3 . 19056 1 502 . 1 1 75 75 GLU HG2 H 1 2.021 0.012 . 2 . . . . 184 GLU HG2 . 19056 1 503 . 1 1 75 75 GLU CA C 13 54.321 0.068 . 1 . . . . 184 GLU CA . 19056 1 504 . 1 1 75 75 GLU CB C 13 33.711 0.095 . 1 . . . . 184 GLU CB . 19056 1 505 . 1 1 75 75 GLU CG C 13 37.824 0.150 . 1 . . . . 184 GLU CG . 19056 1 506 . 1 1 75 75 GLU N N 15 118.970 0.049 . 1 . . . . 184 GLU N . 19056 1 507 . 1 1 76 76 ILE H H 1 8.751 0.007 . 1 . . . . 185 ILE H . 19056 1 508 . 1 1 76 76 ILE HA H 1 4.758 0.008 . 1 . . . . 185 ILE HA . 19056 1 509 . 1 1 76 76 ILE HB H 1 0.700 0.012 . 1 . . . . 185 ILE HB . 19056 1 510 . 1 1 76 76 ILE HG12 H 1 0.927 0.010 . 2 . . . . 185 ILE HG12 . 19056 1 511 . 1 1 76 76 ILE HG21 H 1 0.466 0.011 . 1 . . . . 185 ILE HG21 . 19056 1 512 . 1 1 76 76 ILE HG22 H 1 0.466 0.011 . 1 . . . . 185 ILE HG21 . 19056 1 513 . 1 1 76 76 ILE HG23 H 1 0.466 0.011 . 1 . . . . 185 ILE HG21 . 19056 1 514 . 1 1 76 76 ILE HD11 H 1 0.287 0.013 . 1 . . . . 185 ILE HD11 . 19056 1 515 . 1 1 76 76 ILE HD12 H 1 0.287 0.013 . 1 . . . . 185 ILE HD11 . 19056 1 516 . 1 1 76 76 ILE HD13 H 1 0.287 0.013 . 1 . . . . 185 ILE HD11 . 19056 1 517 . 1 1 76 76 ILE CA C 13 56.554 0.107 . 1 . . . . 185 ILE CA . 19056 1 518 . 1 1 76 76 ILE CB C 13 37.237 0.049 . 1 . . . . 185 ILE CB . 19056 1 519 . 1 1 76 76 ILE CG1 C 13 27.341 0.150 . 1 . . . . 185 ILE CG1 . 19056 1 520 . 1 1 76 76 ILE CG2 C 13 17.420 0.001 . 1 . . . . 185 ILE CG2 . 19056 1 521 . 1 1 76 76 ILE N N 15 123.243 0.141 . 1 . . . . 185 ILE N . 19056 1 522 . 1 1 77 77 GLU H H 1 8.987 0.008 . 1 . . . . 186 GLU H . 19056 1 523 . 1 1 77 77 GLU HA H 1 5.395 0.013 . 1 . . . . 186 GLU HA . 19056 1 524 . 1 1 77 77 GLU HB2 H 1 1.747 0.009 . 2 . . . . 186 GLU HB2 . 19056 1 525 . 1 1 77 77 GLU HG2 H 1 2.011 0.009 . 2 . . . . 186 GLU HG2 . 19056 1 526 . 1 1 77 77 GLU CA C 13 54.480 0.034 . 1 . . . . 186 GLU CA . 19056 1 527 . 1 1 77 77 GLU CB C 13 34.165 0.104 . 1 . . . . 186 GLU CB . 19056 1 528 . 1 1 77 77 GLU CG C 13 39.429 0.021 . 1 . . . . 186 GLU CG . 19056 1 529 . 1 1 77 77 GLU N N 15 123.564 0.063 . 1 . . . . 186 GLU N . 19056 1 530 . 1 1 78 78 LEU H H 1 8.869 0.009 . 1 . . . . 187 LEU H . 19056 1 531 . 1 1 78 78 LEU HA H 1 5.074 0.009 . 1 . . . . 187 LEU HA . 19056 1 532 . 1 1 78 78 LEU HB2 H 1 1.631 0.008 . 2 . . . . 187 LEU HB2 . 19056 1 533 . 1 1 78 78 LEU HD11 H 1 0.977 0.008 . 2 . . . . 187 LEU HD11 . 19056 1 534 . 1 1 78 78 LEU HD12 H 1 0.977 0.008 . 2 . . . . 187 LEU HD11 . 19056 1 535 . 1 1 78 78 LEU HD13 H 1 0.977 0.008 . 2 . . . . 187 LEU HD11 . 19056 1 536 . 1 1 78 78 LEU CA C 13 52.908 0.011 . 1 . . . . 187 LEU CA . 19056 1 537 . 1 1 78 78 LEU CB C 13 47.557 0.014 . 1 . . . . 187 LEU CB . 19056 1 538 . 1 1 78 78 LEU CG C 13 27.761 0.150 . 1 . . . . 187 LEU CG . 19056 1 539 . 1 1 78 78 LEU CD1 C 13 23.740 0.150 . 2 . . . . 187 LEU CD1 . 19056 1 540 . 1 1 78 78 LEU CD2 C 13 22.239 0.150 . 2 . . . . 187 LEU CD2 . 19056 1 541 . 1 1 78 78 LEU N N 15 131.784 0.043 . 1 . . . . 187 LEU N . 19056 1 542 . 1 1 79 79 GLY H H 1 9.921 0.007 . 1 . . . . 188 GLY H . 19056 1 543 . 1 1 79 79 GLY HA2 H 1 4.242 0.012 . 2 . . . . 188 GLY HA2 . 19056 1 544 . 1 1 79 79 GLY HA3 H 1 2.506 0.014 . 2 . . . . 188 GLY HA3 . 19056 1 545 . 1 1 79 79 GLY CA C 13 45.200 0.105 . 1 . . . . 188 GLY CA . 19056 1 546 . 1 1 79 79 GLY N N 15 114.552 0.036 . 1 . . . . 188 GLY N . 19056 1 547 . 1 1 80 80 LEU H H 1 8.943 0.004 . 1 . . . . 189 LEU H . 19056 1 548 . 1 1 80 80 LEU HA H 1 4.598 0.011 . 1 . . . . 189 LEU HA . 19056 1 549 . 1 1 80 80 LEU HB2 H 1 1.093 0.014 . 2 . . . . 189 LEU HB2 . 19056 1 550 . 1 1 80 80 LEU HD11 H 1 0.863 0.008 . 2 . . . . 189 LEU HD11 . 19056 1 551 . 1 1 80 80 LEU HD12 H 1 0.863 0.008 . 2 . . . . 189 LEU HD11 . 19056 1 552 . 1 1 80 80 LEU HD13 H 1 0.863 0.008 . 2 . . . . 189 LEU HD11 . 19056 1 553 . 1 1 80 80 LEU HD21 H 1 0.721 0.009 . 2 . . . . 189 LEU HD21 . 19056 1 554 . 1 1 80 80 LEU HD22 H 1 0.721 0.009 . 2 . . . . 189 LEU HD21 . 19056 1 555 . 1 1 80 80 LEU HD23 H 1 0.721 0.009 . 2 . . . . 189 LEU HD21 . 19056 1 556 . 1 1 80 80 LEU CA C 13 53.358 0.037 . 1 . . . . 189 LEU CA . 19056 1 557 . 1 1 80 80 LEU CB C 13 44.049 0.064 . 1 . . . . 189 LEU CB . 19056 1 558 . 1 1 80 80 LEU CG C 13 24.792 0.150 . 1 . . . . 189 LEU CG . 19056 1 559 . 1 1 80 80 LEU CD1 C 13 22.613 0.150 . 2 . . . . 189 LEU CD1 . 19056 1 560 . 1 1 80 80 LEU CD2 C 13 19.144 0.150 . 2 . . . . 189 LEU CD2 . 19056 1 561 . 1 1 80 80 LEU N N 15 125.868 0.042 . 1 . . . . 189 LEU N . 19056 1 562 . 1 1 81 81 GLN H H 1 8.393 0.012 . 1 . . . . 190 GLN H . 19056 1 563 . 1 1 81 81 GLN HA H 1 4.502 0.004 . 1 . . . . 190 GLN HA . 19056 1 564 . 1 1 81 81 GLN CA C 13 54.687 0.100 . 1 . . . . 190 GLN CA . 19056 1 565 . 1 1 81 81 GLN CB C 13 29.712 0.139 . 1 . . . . 190 GLN CB . 19056 1 566 . 1 1 81 81 GLN CG C 13 34.341 0.150 . 1 . . . . 190 GLN CG . 19056 1 567 . 1 1 81 81 GLN N N 15 119.359 0.089 . 1 . . . . 190 GLN N . 19056 1 568 . 1 1 82 82 SER H H 1 9.741 0.022 . 1 . . . . 191 SER H . 19056 1 569 . 1 1 82 82 SER HA H 1 4.533 0.009 . 1 . . . . 191 SER HA . 19056 1 570 . 1 1 82 82 SER HB2 H 1 4.250 0.006 . 2 . . . . 191 SER HB2 . 19056 1 571 . 1 1 82 82 SER HB3 H 1 4.195 0.008 . 2 . . . . 191 SER HB3 . 19056 1 572 . 1 1 82 82 SER CA C 13 59.101 0.054 . 1 . . . . 191 SER CA . 19056 1 573 . 1 1 82 82 SER CB C 13 62.298 0.018 . 1 . . . . 191 SER CB . 19056 1 574 . 1 1 82 82 SER N N 15 114.535 0.039 . 1 . . . . 191 SER N . 19056 1 575 . 1 1 83 83 GLY H H 1 8.864 0.008 . 1 . . . . 192 GLY H . 19056 1 576 . 1 1 83 83 GLY HA2 H 1 3.564 0.012 . 2 . . . . 192 GLY HA2 . 19056 1 577 . 1 1 83 83 GLY CA C 13 49.117 0.088 . 1 . . . . 192 GLY CA . 19056 1 578 . 1 1 83 83 GLY N N 15 107.846 0.048 . 1 . . . . 192 GLY N . 19056 1 579 . 1 1 84 84 GLN H H 1 9.354 0.008 . 1 . . . . 193 GLN H . 19056 1 580 . 1 1 84 84 GLN HA H 1 3.998 0.017 . 1 . . . . 193 GLN HA . 19056 1 581 . 1 1 84 84 GLN HB2 H 1 1.856 0.010 . 2 . . . . 193 GLN HB2 . 19056 1 582 . 1 1 84 84 GLN HG2 H 1 2.241 0.006 . 2 . . . . 193 GLN HG2 . 19056 1 583 . 1 1 84 84 GLN CA C 13 57.821 0.108 . 1 . . . . 193 GLN CA . 19056 1 584 . 1 1 84 84 GLN CB C 13 29.372 0.067 . 1 . . . . 193 GLN CB . 19056 1 585 . 1 1 84 84 GLN CG C 13 33.003 0.150 . 1 . . . . 193 GLN CG . 19056 1 586 . 1 1 84 84 GLN N N 15 115.829 0.032 . 1 . . . . 193 GLN N . 19056 1 587 . 1 1 85 85 PHE H H 1 8.227 0.013 . 1 . . . . 194 PHE H . 19056 1 588 . 1 1 85 85 PHE HA H 1 4.789 0.015 . 1 . . . . 194 PHE HA . 19056 1 589 . 1 1 85 85 PHE HB2 H 1 3.126 0.009 . 2 . . . . 194 PHE HB2 . 19056 1 590 . 1 1 85 85 PHE HB3 H 1 2.730 0.008 . 2 . . . . 194 PHE HB3 . 19056 1 591 . 1 1 85 85 PHE HD1 H 1 7.270 0.002 . 3 . . . . 194 PHE HD1 . 19056 1 592 . 1 1 85 85 PHE CA C 13 57.556 0.142 . 1 . . . . 194 PHE CA . 19056 1 593 . 1 1 85 85 PHE CB C 13 39.662 0.039 . 1 . . . . 194 PHE CB . 19056 1 594 . 1 1 85 85 PHE N N 15 117.670 0.062 . 1 . . . . 194 PHE N . 19056 1 595 . 1 1 86 86 TRP H H 1 7.566 0.007 . 1 . . . . 195 TRP H . 19056 1 596 . 1 1 86 86 TRP HA H 1 4.780 0.013 . 1 . . . . 195 TRP HA . 19056 1 597 . 1 1 86 86 TRP HB2 H 1 3.236 0.004 . 2 . . . . 195 TRP HB2 . 19056 1 598 . 1 1 86 86 TRP HD1 H 1 7.114 0.010 . 1 . . . . 195 TRP HD1 . 19056 1 599 . 1 1 86 86 TRP HE1 H 1 10.166 0.004 . 1 . . . . 195 TRP HE1 . 19056 1 600 . 1 1 86 86 TRP HE3 H 1 7.418 0.001 . 1 . . . . 195 TRP HE3 . 19056 1 601 . 1 1 86 86 TRP CA C 13 58.640 0.051 . 1 . . . . 195 TRP CA . 19056 1 602 . 1 1 86 86 TRP CB C 13 31.944 0.038 . 1 . . . . 195 TRP CB . 19056 1 603 . 1 1 86 86 TRP N N 15 120.184 0.073 . 1 . . . . 195 TRP N . 19056 1 604 . 1 1 86 86 TRP NE1 N 15 129.324 0.027 . 1 . . . . 195 TRP NE1 . 19056 1 605 . 1 1 87 87 ARG H H 1 9.125 0.006 . 1 . . . . 196 ARG H . 19056 1 606 . 1 1 87 87 ARG HA H 1 4.660 0.017 . 1 . . . . 196 ARG HA . 19056 1 607 . 1 1 87 87 ARG HB2 H 1 1.913 0.009 . 2 . . . . 196 ARG HB2 . 19056 1 608 . 1 1 87 87 ARG CA C 13 57.263 0.098 . 1 . . . . 196 ARG CA . 19056 1 609 . 1 1 87 87 ARG CB C 13 30.492 0.123 . 1 . . . . 196 ARG CB . 19056 1 610 . 1 1 87 87 ARG CD C 13 44.554 0.150 . 1 . . . . 196 ARG CD . 19056 1 611 . 1 1 87 87 ARG N N 15 123.227 0.086 . 1 . . . . 196 ARG N . 19056 1 612 . 1 1 88 88 LYS H H 1 8.190 0.008 . 1 . . . . 197 LYS H . 19056 1 613 . 1 1 88 88 LYS HA H 1 4.418 0.005 . 1 . . . . 197 LYS HA . 19056 1 614 . 1 1 88 88 LYS CA C 13 57.332 0.150 . 1 . . . . 197 LYS CA . 19056 1 615 . 1 1 88 88 LYS CB C 13 33.343 0.150 . 1 . . . . 197 LYS CB . 19056 1 616 . 1 1 88 88 LYS N N 15 123.375 0.067 . 1 . . . . 197 LYS N . 19056 1 617 . 1 1 90 90 GLU HA H 1 4.606 0.012 . 1 . . . . 199 GLU HA . 19056 1 618 . 1 1 90 90 GLU HB2 H 1 1.743 0.009 . 2 . . . . 199 GLU HB2 . 19056 1 619 . 1 1 90 90 GLU HG2 H 1 2.206 0.009 . 2 . . . . 199 GLU HG2 . 19056 1 620 . 1 1 90 90 GLU CA C 13 54.421 0.014 . 1 . . . . 199 GLU CA . 19056 1 621 . 1 1 90 90 GLU CB C 13 35.071 0.019 . 1 . . . . 199 GLU CB . 19056 1 622 . 1 1 90 90 GLU CG C 13 36.309 0.001 . 1 . . . . 199 GLU CG . 19056 1 623 . 1 1 91 91 VAL H H 1 8.782 0.010 . 1 . . . . 200 VAL H . 19056 1 624 . 1 1 91 91 VAL HA H 1 4.712 0.012 . 1 . . . . 200 VAL HA . 19056 1 625 . 1 1 91 91 VAL HB H 1 1.125 0.012 . 1 . . . . 200 VAL HB . 19056 1 626 . 1 1 91 91 VAL HG11 H 1 0.283 0.009 . 2 . . . . 200 VAL HG11 . 19056 1 627 . 1 1 91 91 VAL HG12 H 1 0.283 0.009 . 2 . . . . 200 VAL HG11 . 19056 1 628 . 1 1 91 91 VAL HG13 H 1 0.283 0.009 . 2 . . . . 200 VAL HG11 . 19056 1 629 . 1 1 91 91 VAL HG21 H 1 0.024 0.012 . 2 . . . . 200 VAL HG21 . 19056 1 630 . 1 1 91 91 VAL HG22 H 1 0.024 0.012 . 2 . . . . 200 VAL HG21 . 19056 1 631 . 1 1 91 91 VAL HG23 H 1 0.024 0.012 . 2 . . . . 200 VAL HG21 . 19056 1 632 . 1 1 91 91 VAL CA C 13 60.881 0.129 . 1 . . . . 200 VAL CA . 19056 1 633 . 1 1 91 91 VAL CB C 13 34.718 0.057 . 1 . . . . 200 VAL CB . 19056 1 634 . 1 1 91 91 VAL CG1 C 13 21.700 0.001 . 2 . . . . 200 VAL CG1 . 19056 1 635 . 1 1 91 91 VAL N N 15 121.760 0.028 . 1 . . . . 200 VAL N . 19056 1 636 . 1 1 92 92 TYR H H 1 9.408 0.009 . 1 . . . . 201 TYR H . 19056 1 637 . 1 1 92 92 TYR HA H 1 5.141 0.015 . 1 . . . . 201 TYR HA . 19056 1 638 . 1 1 92 92 TYR HB2 H 1 2.692 0.015 . 2 . . . . 201 TYR HB2 . 19056 1 639 . 1 1 92 92 TYR HD1 H 1 6.701 0.017 . 3 . . . . 201 TYR HD1 . 19056 1 640 . 1 1 92 92 TYR CA C 13 56.723 0.081 . 1 . . . . 201 TYR CA . 19056 1 641 . 1 1 92 92 TYR CB C 13 42.511 0.093 . 1 . . . . 201 TYR CB . 19056 1 642 . 1 1 92 92 TYR N N 15 123.641 0.031 . 1 . . . . 201 TYR N . 19056 1 643 . 1 1 93 93 GLU H H 1 8.687 0.008 . 1 . . . . 202 GLU H . 19056 1 644 . 1 1 93 93 GLU HA H 1 4.862 0.012 . 1 . . . . 202 GLU HA . 19056 1 645 . 1 1 93 93 GLU HB2 H 1 2.142 0.014 . 2 . . . . 202 GLU HB2 . 19056 1 646 . 1 1 93 93 GLU HB3 H 1 2.103 0.010 . 2 . . . . 202 GLU HB3 . 19056 1 647 . 1 1 93 93 GLU HG2 H 1 2.416 0.015 . 2 . . . . 202 GLU HG2 . 19056 1 648 . 1 1 93 93 GLU CA C 13 54.996 0.005 . 1 . . . . 202 GLU CA . 19056 1 649 . 1 1 93 93 GLU CB C 13 32.669 0.093 . 1 . . . . 202 GLU CB . 19056 1 650 . 1 1 93 93 GLU CG C 13 37.359 0.150 . 1 . . . . 202 GLU CG . 19056 1 651 . 1 1 93 93 GLU N N 15 124.021 0.084 . 1 . . . . 202 GLU N . 19056 1 652 . 1 1 94 94 GLY H H 1 8.913 0.004 . 1 . . . . 203 GLY H . 19056 1 653 . 1 1 94 94 GLY HA2 H 1 4.093 0.013 . 2 . . . . 203 GLY HA2 . 19056 1 654 . 1 1 94 94 GLY HA3 H 1 3.700 0.011 . 2 . . . . 203 GLY HA3 . 19056 1 655 . 1 1 94 94 GLY CA C 13 47.886 0.058 . 1 . . . . 203 GLY CA . 19056 1 656 . 1 1 94 94 GLY N N 15 118.965 0.031 . 1 . . . . 203 GLY N . 19056 1 657 . 1 1 95 95 ASP H H 1 8.832 0.009 . 1 . . . . 204 ASP H . 19056 1 658 . 1 1 95 95 ASP HA H 1 4.726 0.006 . 1 . . . . 204 ASP HA . 19056 1 659 . 1 1 95 95 ASP HB2 H 1 2.759 0.013 . 2 . . . . 204 ASP HB2 . 19056 1 660 . 1 1 95 95 ASP CA C 13 54.738 0.096 . 1 . . . . 204 ASP CA . 19056 1 661 . 1 1 95 95 ASP CB C 13 41.659 0.090 . 1 . . . . 204 ASP CB . 19056 1 662 . 1 1 95 95 ASP N N 15 126.246 0.054 . 1 . . . . 204 ASP N . 19056 1 663 . 1 1 96 96 LYS H H 1 8.120 0.007 . 1 . . . . 205 LYS H . 19056 1 664 . 1 1 96 96 LYS HA H 1 4.459 0.016 . 1 . . . . 205 LYS HA . 19056 1 665 . 1 1 96 96 LYS HB2 H 1 1.985 0.010 . 2 . . . . 205 LYS HB2 . 19056 1 666 . 1 1 96 96 LYS HB3 H 1 1.832 0.010 . 2 . . . . 205 LYS HB3 . 19056 1 667 . 1 1 96 96 LYS HG2 H 1 1.500 0.011 . 2 . . . . 205 LYS HG2 . 19056 1 668 . 1 1 96 96 LYS HG3 H 1 1.395 0.019 . 2 . . . . 205 LYS HG3 . 19056 1 669 . 1 1 96 96 LYS HD2 H 1 1.722 0.011 . 2 . . . . 205 LYS HD2 . 19056 1 670 . 1 1 96 96 LYS HE2 H 1 3.026 0.007 . 2 . . . . 205 LYS HE2 . 19056 1 671 . 1 1 96 96 LYS CA C 13 56.161 0.056 . 1 . . . . 205 LYS CA . 19056 1 672 . 1 1 96 96 LYS CB C 13 33.962 0.207 . 1 . . . . 205 LYS CB . 19056 1 673 . 1 1 96 96 LYS CG C 13 25.033 0.150 . 1 . . . . 205 LYS CG . 19056 1 674 . 1 1 96 96 LYS CD C 13 29.604 0.150 . 1 . . . . 205 LYS CD . 19056 1 675 . 1 1 96 96 LYS CE C 13 42.567 0.150 . 1 . . . . 205 LYS CE . 19056 1 676 . 1 1 96 96 LYS N N 15 122.356 0.104 . 1 . . . . 205 LYS N . 19056 1 677 . 1 1 97 97 LYS H H 1 8.575 0.010 . 1 . . . . 206 LYS H . 19056 1 678 . 1 1 97 97 LYS HA H 1 3.442 0.012 . 1 . . . . 206 LYS HA . 19056 1 679 . 1 1 97 97 LYS HB2 H 1 1.620 0.009 . 2 . . . . 206 LYS HB2 . 19056 1 680 . 1 1 97 97 LYS HB3 H 1 1.462 0.005 . 2 . . . . 206 LYS HB3 . 19056 1 681 . 1 1 97 97 LYS HD2 H 1 1.561 0.010 . 2 . . . . 206 LYS HD2 . 19056 1 682 . 1 1 97 97 LYS CA C 13 57.100 0.063 . 1 . . . . 206 LYS CA . 19056 1 683 . 1 1 97 97 LYS CB C 13 33.283 0.088 . 1 . . . . 206 LYS CB . 19056 1 684 . 1 1 97 97 LYS CG C 13 25.818 0.150 . 1 . . . . 206 LYS CG . 19056 1 685 . 1 1 97 97 LYS CD C 13 29.972 0.150 . 1 . . . . 206 LYS CD . 19056 1 686 . 1 1 97 97 LYS CE C 13 42.482 0.150 . 1 . . . . 206 LYS CE . 19056 1 687 . 1 1 97 97 LYS N N 15 128.176 0.029 . 1 . . . . 206 LYS N . 19056 1 688 . 1 1 98 98 LEU H H 1 9.039 0.011 . 1 . . . . 207 LEU H . 19056 1 689 . 1 1 98 98 LEU HA H 1 4.716 0.009 . 1 . . . . 207 LEU HA . 19056 1 690 . 1 1 98 98 LEU HB2 H 1 1.450 0.004 . 2 . . . . 207 LEU HB2 . 19056 1 691 . 1 1 98 98 LEU CA C 13 52.631 0.150 . 1 . . . . 207 LEU CA . 19056 1 692 . 1 1 98 98 LEU CB C 13 41.808 0.150 . 1 . . . . 207 LEU CB . 19056 1 693 . 1 1 98 98 LEU N N 15 130.162 0.006 . 1 . . . . 207 LEU N . 19056 1 694 . 1 1 99 99 PRO HA H 1 4.523 0.010 . 1 . . . . 208 PRO HA . 19056 1 695 . 1 1 99 99 PRO HB2 H 1 2.259 0.006 . 2 . . . . 208 PRO HB2 . 19056 1 696 . 1 1 99 99 PRO HB3 H 1 1.972 0.011 . 2 . . . . 208 PRO HB3 . 19056 1 697 . 1 1 99 99 PRO HG2 H 1 2.054 0.005 . 2 . . . . 208 PRO HG2 . 19056 1 698 . 1 1 99 99 PRO HG3 H 1 1.936 0.003 . 2 . . . . 208 PRO HG3 . 19056 1 699 . 1 1 99 99 PRO HD2 H 1 3.119 0.005 . 2 . . . . 208 PRO HD2 . 19056 1 700 . 1 1 99 99 PRO CA C 13 63.190 0.067 . 1 . . . . 208 PRO CA . 19056 1 701 . 1 1 99 99 PRO CB C 13 32.170 0.049 . 1 . . . . 208 PRO CB . 19056 1 702 . 1 1 99 99 PRO CG C 13 28.139 0.150 . 1 . . . . 208 PRO CG . 19056 1 703 . 1 1 99 99 PRO CD C 13 50.764 0.150 . 1 . . . . 208 PRO CD . 19056 1 704 . 1 1 100 100 ILE H H 1 8.477 0.005 . 1 . . . . 209 ILE H . 19056 1 705 . 1 1 100 100 ILE HA H 1 4.955 0.022 . 1 . . . . 209 ILE HA . 19056 1 706 . 1 1 100 100 ILE HB H 1 1.894 0.017 . 1 . . . . 209 ILE HB . 19056 1 707 . 1 1 100 100 ILE HG12 H 1 1.755 0.013 . 2 . . . . 209 ILE HG12 . 19056 1 708 . 1 1 100 100 ILE HG21 H 1 1.172 0.015 . 1 . . . . 209 ILE HG21 . 19056 1 709 . 1 1 100 100 ILE HG22 H 1 1.172 0.015 . 1 . . . . 209 ILE HG21 . 19056 1 710 . 1 1 100 100 ILE HG23 H 1 1.172 0.015 . 1 . . . . 209 ILE HG21 . 19056 1 711 . 1 1 100 100 ILE HD11 H 1 0.958 0.010 . 1 . . . . 209 ILE HD11 . 19056 1 712 . 1 1 100 100 ILE HD12 H 1 0.958 0.010 . 1 . . . . 209 ILE HD11 . 19056 1 713 . 1 1 100 100 ILE HD13 H 1 0.958 0.010 . 1 . . . . 209 ILE HD11 . 19056 1 714 . 1 1 100 100 ILE CA C 13 59.986 0.149 . 1 . . . . 209 ILE CA . 19056 1 715 . 1 1 100 100 ILE CB C 13 41.229 0.044 . 1 . . . . 209 ILE CB . 19056 1 716 . 1 1 100 100 ILE CG1 C 13 27.529 0.150 . 1 . . . . 209 ILE CG1 . 19056 1 717 . 1 1 100 100 ILE CG2 C 13 19.083 0.150 . 1 . . . . 209 ILE CG2 . 19056 1 718 . 1 1 100 100 ILE CD1 C 13 14.838 0.006 . 1 . . . . 209 ILE CD1 . 19056 1 719 . 1 1 100 100 ILE N N 15 122.506 0.109 . 1 . . . . 209 ILE N . 19056 1 720 . 1 1 101 101 LYS H H 1 8.976 0.009 . 1 . . . . 210 LYS H . 19056 1 721 . 1 1 101 101 LYS HA H 1 4.784 0.011 . 1 . . . . 210 LYS HA . 19056 1 722 . 1 1 101 101 LYS HB2 H 1 1.621 0.008 . 2 . . . . 210 LYS HB2 . 19056 1 723 . 1 1 101 101 LYS HB3 H 1 1.546 0.004 . 2 . . . . 210 LYS HB3 . 19056 1 724 . 1 1 101 101 LYS HG2 H 1 0.975 0.010 . 2 . . . . 210 LYS HG2 . 19056 1 725 . 1 1 101 101 LYS HD2 H 1 1.355 0.010 . 2 . . . . 210 LYS HD2 . 19056 1 726 . 1 1 101 101 LYS HE2 H 1 2.816 0.010 . 2 . . . . 210 LYS HE2 . 19056 1 727 . 1 1 101 101 LYS CA C 13 54.986 0.065 . 1 . . . . 210 LYS CA . 19056 1 728 . 1 1 101 101 LYS CB C 13 35.743 0.055 . 1 . . . . 210 LYS CB . 19056 1 729 . 1 1 101 101 LYS CG C 13 25.204 0.150 . 1 . . . . 210 LYS CG . 19056 1 730 . 1 1 101 101 LYS CD C 13 30.009 0.150 . 1 . . . . 210 LYS CD . 19056 1 731 . 1 1 101 101 LYS CE C 13 42.210 0.150 . 1 . . . . 210 LYS CE . 19056 1 732 . 1 1 101 101 LYS N N 15 124.325 0.062 . 1 . . . . 210 LYS N . 19056 1 733 . 1 1 102 102 LEU H H 1 8.856 0.005 . 1 . . . . 211 LEU H . 19056 1 734 . 1 1 102 102 LEU HA H 1 4.839 0.008 . 1 . . . . 211 LEU HA . 19056 1 735 . 1 1 102 102 LEU HB2 H 1 1.921 0.007 . 2 . . . . 211 LEU HB2 . 19056 1 736 . 1 1 102 102 LEU HB3 H 1 1.163 0.011 . 2 . . . . 211 LEU HB3 . 19056 1 737 . 1 1 102 102 LEU HG H 1 0.732 0.007 . 1 . . . . 211 LEU HG . 19056 1 738 . 1 1 102 102 LEU HD11 H 1 0.843 0.013 . 2 . . . . 211 LEU HD11 . 19056 1 739 . 1 1 102 102 LEU HD12 H 1 0.843 0.013 . 2 . . . . 211 LEU HD11 . 19056 1 740 . 1 1 102 102 LEU HD13 H 1 0.843 0.013 . 2 . . . . 211 LEU HD11 . 19056 1 741 . 1 1 102 102 LEU CA C 13 54.799 0.087 . 1 . . . . 211 LEU CA . 19056 1 742 . 1 1 102 102 LEU CB C 13 42.730 0.037 . 1 . . . . 211 LEU CB . 19056 1 743 . 1 1 102 102 LEU CG C 13 28.181 0.095 . 1 . . . . 211 LEU CG . 19056 1 744 . 1 1 102 102 LEU CD1 C 13 24.873 0.150 . 2 . . . . 211 LEU CD1 . 19056 1 745 . 1 1 102 102 LEU N N 15 127.279 0.069 . 1 . . . . 211 LEU N . 19056 1 746 . 1 1 103 103 VAL H H 1 8.382 0.006 . 1 . . . . 212 VAL H . 19056 1 747 . 1 1 103 103 VAL HA H 1 4.506 0.009 . 1 . . . . 212 VAL HA . 19056 1 748 . 1 1 103 103 VAL HB H 1 2.237 0.012 . 1 . . . . 212 VAL HB . 19056 1 749 . 1 1 103 103 VAL HG11 H 1 0.796 0.010 . 2 . . . . 212 VAL HG11 . 19056 1 750 . 1 1 103 103 VAL HG12 H 1 0.796 0.010 . 2 . . . . 212 VAL HG11 . 19056 1 751 . 1 1 103 103 VAL HG13 H 1 0.796 0.010 . 2 . . . . 212 VAL HG11 . 19056 1 752 . 1 1 103 103 VAL HG21 H 1 0.643 0.009 . 2 . . . . 212 VAL HG21 . 19056 1 753 . 1 1 103 103 VAL HG22 H 1 0.643 0.009 . 2 . . . . 212 VAL HG21 . 19056 1 754 . 1 1 103 103 VAL HG23 H 1 0.643 0.009 . 2 . . . . 212 VAL HG21 . 19056 1 755 . 1 1 103 103 VAL CA C 13 62.163 0.068 . 1 . . . . 212 VAL CA . 19056 1 756 . 1 1 103 103 VAL CB C 13 32.700 0.092 . 1 . . . . 212 VAL CB . 19056 1 757 . 1 1 103 103 VAL CG1 C 13 22.687 0.150 . 2 . . . . 212 VAL CG1 . 19056 1 758 . 1 1 103 103 VAL CG2 C 13 19.575 0.065 . 2 . . . . 212 VAL CG2 . 19056 1 759 . 1 1 103 103 VAL N N 15 117.503 0.073 . 1 . . . . 212 VAL N . 19056 1 760 . 1 1 104 104 SER H H 1 7.146 0.010 . 1 . . . . 213 SER H . 19056 1 761 . 1 1 104 104 SER HA H 1 4.955 0.010 . 1 . . . . 213 SER HA . 19056 1 762 . 1 1 104 104 SER HB2 H 1 3.862 0.010 . 2 . . . . 213 SER HB2 . 19056 1 763 . 1 1 104 104 SER CA C 13 59.207 0.048 . 1 . . . . 213 SER CA . 19056 1 764 . 1 1 104 104 SER CB C 13 63.439 0.053 . 1 . . . . 213 SER CB . 19056 1 765 . 1 1 104 104 SER N N 15 110.242 0.042 . 1 . . . . 213 SER N . 19056 1 766 . 1 1 105 105 TYR H H 1 8.242 0.006 . 1 . . . . 214 TYR H . 19056 1 767 . 1 1 105 105 TYR HA H 1 5.556 0.012 . 1 . . . . 214 TYR HA . 19056 1 768 . 1 1 105 105 TYR HB2 H 1 2.773 0.008 . 2 . . . . 214 TYR HB2 . 19056 1 769 . 1 1 105 105 TYR HD1 H 1 6.874 0.005 . 3 . . . . 214 TYR HD1 . 19056 1 770 . 1 1 105 105 TYR CA C 13 56.378 0.086 . 1 . . . . 214 TYR CA . 19056 1 771 . 1 1 105 105 TYR CB C 13 42.173 0.132 . 1 . . . . 214 TYR CB . 19056 1 772 . 1 1 105 105 TYR N N 15 127.036 0.048 . 1 . . . . 214 TYR N . 19056 1 773 . 1 1 106 106 ASP H H 1 9.156 0.006 . 1 . . . . 215 ASP H . 19056 1 774 . 1 1 106 106 ASP HA H 1 4.851 0.013 . 1 . . . . 215 ASP HA . 19056 1 775 . 1 1 106 106 ASP HB2 H 1 2.844 0.014 . 2 . . . . 215 ASP HB2 . 19056 1 776 . 1 1 106 106 ASP CA C 13 53.253 0.060 . 1 . . . . 215 ASP CA . 19056 1 777 . 1 1 106 106 ASP CB C 13 42.378 0.114 . 1 . . . . 215 ASP CB . 19056 1 778 . 1 1 106 106 ASP N N 15 129.558 0.060 . 1 . . . . 215 ASP N . 19056 1 779 . 1 1 107 107 THR H H 1 8.804 0.014 . 1 . . . . 216 THR H . 19056 1 780 . 1 1 107 107 THR HA H 1 4.220 0.009 . 1 . . . . 216 THR HA . 19056 1 781 . 1 1 107 107 THR HB H 1 3.491 0.008 . 1 . . . . 216 THR HB . 19056 1 782 . 1 1 107 107 THR CA C 13 64.896 0.054 . 1 . . . . 216 THR CA . 19056 1 783 . 1 1 107 107 THR CB C 13 69.632 0.105 . 1 . . . . 216 THR CB . 19056 1 784 . 1 1 107 107 THR CG2 C 13 23.106 0.150 . 1 . . . . 216 THR CG2 . 19056 1 785 . 1 1 107 107 THR N N 15 118.809 0.044 . 1 . . . . 216 THR N . 19056 1 786 . 1 1 108 108 VAL H H 1 8.098 0.006 . 1 . . . . 217 VAL H . 19056 1 787 . 1 1 108 108 VAL HA H 1 3.747 0.011 . 1 . . . . 217 VAL HA . 19056 1 788 . 1 1 108 108 VAL HB H 1 2.038 0.010 . 1 . . . . 217 VAL HB . 19056 1 789 . 1 1 108 108 VAL HG11 H 1 0.964 0.012 . 2 . . . . 217 VAL HG11 . 19056 1 790 . 1 1 108 108 VAL HG12 H 1 0.964 0.012 . 2 . . . . 217 VAL HG11 . 19056 1 791 . 1 1 108 108 VAL HG13 H 1 0.964 0.012 . 2 . . . . 217 VAL HG11 . 19056 1 792 . 1 1 108 108 VAL HG21 H 1 0.845 0.004 . 2 . . . . 217 VAL HG21 . 19056 1 793 . 1 1 108 108 VAL HG22 H 1 0.845 0.004 . 2 . . . . 217 VAL HG21 . 19056 1 794 . 1 1 108 108 VAL HG23 H 1 0.845 0.004 . 2 . . . . 217 VAL HG21 . 19056 1 795 . 1 1 108 108 VAL CA C 13 65.760 0.064 . 1 . . . . 217 VAL CA . 19056 1 796 . 1 1 108 108 VAL CB C 13 32.348 0.141 . 1 . . . . 217 VAL CB . 19056 1 797 . 1 1 108 108 VAL CG1 C 13 23.164 0.064 . 2 . . . . 217 VAL CG1 . 19056 1 798 . 1 1 108 108 VAL CG2 C 13 21.012 0.150 . 2 . . . . 217 VAL CG2 . 19056 1 799 . 1 1 108 108 VAL N N 15 123.921 0.070 . 1 . . . . 217 VAL N . 19056 1 800 . 1 1 109 109 LYS H H 1 7.520 0.008 . 1 . . . . 218 LYS H . 19056 1 801 . 1 1 109 109 LYS HA H 1 3.884 0.006 . 1 . . . . 218 LYS HA . 19056 1 802 . 1 1 109 109 LYS HB2 H 1 0.498 0.017 . 2 . . . . 218 LYS HB2 . 19056 1 803 . 1 1 109 109 LYS HG2 H 1 0.976 0.003 . 2 . . . . 218 LYS HG2 . 19056 1 804 . 1 1 109 109 LYS HD2 H 1 1.255 0.011 . 2 . . . . 218 LYS HD2 . 19056 1 805 . 1 1 109 109 LYS HD3 H 1 1.163 0.003 . 2 . . . . 218 LYS HD3 . 19056 1 806 . 1 1 109 109 LYS HE2 H 1 2.818 0.020 . 2 . . . . 218 LYS HE2 . 19056 1 807 . 1 1 109 109 LYS CA C 13 56.502 0.037 . 1 . . . . 218 LYS CA . 19056 1 808 . 1 1 109 109 LYS CB C 13 31.843 0.145 . 1 . . . . 218 LYS CB . 19056 1 809 . 1 1 109 109 LYS CG C 13 25.875 0.150 . 1 . . . . 218 LYS CG . 19056 1 810 . 1 1 109 109 LYS CD C 13 29.409 0.150 . 1 . . . . 218 LYS CD . 19056 1 811 . 1 1 109 109 LYS CE C 13 42.261 0.150 . 1 . . . . 218 LYS CE . 19056 1 812 . 1 1 109 109 LYS N N 15 117.179 0.063 . 1 . . . . 218 LYS N . 19056 1 813 . 1 1 110 110 ASP H H 1 8.092 0.008 . 1 . . . . 219 ASP H . 19056 1 814 . 1 1 110 110 ASP HA H 1 4.176 0.012 . 1 . . . . 219 ASP HA . 19056 1 815 . 1 1 110 110 ASP HB2 H 1 2.459 0.009 . 2 . . . . 219 ASP HB2 . 19056 1 816 . 1 1 110 110 ASP HB3 H 1 3.518 0.150 . 2 . . . . 219 ASP HB3 . 19056 1 817 . 1 1 110 110 ASP CA C 13 55.362 0.038 . 1 . . . . 219 ASP CA . 19056 1 818 . 1 1 110 110 ASP CB C 13 39.319 0.058 . 1 . . . . 219 ASP CB . 19056 1 819 . 1 1 110 110 ASP N N 15 118.666 0.038 . 1 . . . . 219 ASP N . 19056 1 820 . 1 1 111 111 TYR H H 1 6.940 0.006 . 1 . . . . 220 TYR H . 19056 1 821 . 1 1 111 111 TYR HA H 1 5.894 0.007 . 1 . . . . 220 TYR HA . 19056 1 822 . 1 1 111 111 TYR HB2 H 1 2.323 0.014 . 2 . . . . 220 TYR HB2 . 19056 1 823 . 1 1 111 111 TYR HD1 H 1 6.677 0.012 . 3 . . . . 220 TYR HD1 . 19056 1 824 . 1 1 111 111 TYR CA C 13 52.609 0.154 . 1 . . . . 220 TYR CA . 19056 1 825 . 1 1 111 111 TYR CB C 13 40.315 0.057 . 1 . . . . 220 TYR CB . 19056 1 826 . 1 1 111 111 TYR N N 15 115.392 0.045 . 1 . . . . 220 TYR N . 19056 1 827 . 1 1 112 112 ALA H H 1 9.239 0.007 . 1 . . . . 221 ALA H . 19056 1 828 . 1 1 112 112 ALA HA H 1 5.076 0.015 . 1 . . . . 221 ALA HA . 19056 1 829 . 1 1 112 112 ALA HB1 H 1 1.190 0.011 . 1 . . . . 221 ALA HB1 . 19056 1 830 . 1 1 112 112 ALA HB2 H 1 1.190 0.011 . 1 . . . . 221 ALA HB1 . 19056 1 831 . 1 1 112 112 ALA HB3 H 1 1.190 0.011 . 1 . . . . 221 ALA HB1 . 19056 1 832 . 1 1 112 112 ALA CA C 13 50.514 0.085 . 1 . . . . 221 ALA CA . 19056 1 833 . 1 1 112 112 ALA CB C 13 22.040 0.014 . 1 . . . . 221 ALA CB . 19056 1 834 . 1 1 112 112 ALA N N 15 124.578 0.081 . 1 . . . . 221 ALA N . 19056 1 835 . 1 1 113 113 TYR H H 1 8.645 0.016 . 1 . . . . 222 TYR H . 19056 1 836 . 1 1 113 113 TYR HA H 1 5.023 0.015 . 1 . . . . 222 TYR HA . 19056 1 837 . 1 1 113 113 TYR HB2 H 1 2.209 0.011 . 2 . . . . 222 TYR HB2 . 19056 1 838 . 1 1 113 113 TYR HB3 H 1 2.073 0.010 . 2 . . . . 222 TYR HB3 . 19056 1 839 . 1 1 113 113 TYR HD1 H 1 6.858 0.010 . 3 . . . . 222 TYR HD1 . 19056 1 840 . 1 1 113 113 TYR CA C 13 58.555 0.060 . 1 . . . . 222 TYR CA . 19056 1 841 . 1 1 113 113 TYR CB C 13 40.002 0.150 . 1 . . . . 222 TYR CB . 19056 1 842 . 1 1 113 113 TYR N N 15 119.635 0.130 . 1 . . . . 222 TYR N . 19056 1 843 . 1 1 114 114 ILE H H 1 8.843 0.008 . 1 . . . . 223 ILE H . 19056 1 844 . 1 1 114 114 ILE HA H 1 5.567 0.006 . 1 . . . . 223 ILE HA . 19056 1 845 . 1 1 114 114 ILE HB H 1 1.828 0.017 . 1 . . . . 223 ILE HB . 19056 1 846 . 1 1 114 114 ILE HG12 H 1 1.534 0.017 . 2 . . . . 223 ILE HG12 . 19056 1 847 . 1 1 114 114 ILE HG21 H 1 0.612 0.007 . 1 . . . . 223 ILE HG21 . 19056 1 848 . 1 1 114 114 ILE HG22 H 1 0.612 0.007 . 1 . . . . 223 ILE HG21 . 19056 1 849 . 1 1 114 114 ILE HG23 H 1 0.612 0.007 . 1 . . . . 223 ILE HG21 . 19056 1 850 . 1 1 114 114 ILE HD11 H 1 0.597 0.007 . 1 . . . . 223 ILE HD11 . 19056 1 851 . 1 1 114 114 ILE HD12 H 1 0.597 0.007 . 1 . . . . 223 ILE HD11 . 19056 1 852 . 1 1 114 114 ILE HD13 H 1 0.597 0.007 . 1 . . . . 223 ILE HD11 . 19056 1 853 . 1 1 114 114 ILE CA C 13 58.281 0.040 . 1 . . . . 223 ILE CA . 19056 1 854 . 1 1 114 114 ILE CB C 13 41.743 0.092 . 1 . . . . 223 ILE CB . 19056 1 855 . 1 1 114 114 ILE CG1 C 13 26.115 0.150 . 1 . . . . 223 ILE CG1 . 19056 1 856 . 1 1 114 114 ILE CG2 C 13 18.296 0.015 . 1 . . . . 223 ILE CG2 . 19056 1 857 . 1 1 114 114 ILE CD1 C 13 15.563 0.149 . 1 . . . . 223 ILE CD1 . 19056 1 858 . 1 1 114 114 ILE N N 15 119.011 0.065 . 1 . . . . 223 ILE N . 19056 1 859 . 1 1 115 115 ARG H H 1 9.176 0.013 . 1 . . . . 224 ARG H . 19056 1 860 . 1 1 115 115 ARG HA H 1 6.146 0.015 . 1 . . . . 224 ARG HA . 19056 1 861 . 1 1 115 115 ARG HB2 H 1 1.639 0.011 . 2 . . . . 224 ARG HB2 . 19056 1 862 . 1 1 115 115 ARG HD2 H 1 2.950 0.006 . 2 . . . . 224 ARG HD2 . 19056 1 863 . 1 1 115 115 ARG CA C 13 54.422 0.057 . 1 . . . . 224 ARG CA . 19056 1 864 . 1 1 115 115 ARG CB C 13 36.500 0.123 . 1 . . . . 224 ARG CB . 19056 1 865 . 1 1 115 115 ARG CG C 13 27.998 0.150 . 1 . . . . 224 ARG CG . 19056 1 866 . 1 1 115 115 ARG CD C 13 44.740 0.150 . 1 . . . . 224 ARG CD . 19056 1 867 . 1 1 115 115 ARG N N 15 118.191 0.062 . 1 . . . . 224 ARG N . 19056 1 868 . 1 1 116 116 PHE H H 1 7.952 0.009 . 1 . . . . 225 PHE H . 19056 1 869 . 1 1 116 116 PHE HA H 1 5.035 0.019 . 1 . . . . 225 PHE HA . 19056 1 870 . 1 1 116 116 PHE HB2 H 1 3.281 0.016 . 2 . . . . 225 PHE HB2 . 19056 1 871 . 1 1 116 116 PHE HB3 H 1 2.877 0.013 . 2 . . . . 225 PHE HB3 . 19056 1 872 . 1 1 116 116 PHE HD1 H 1 6.771 0.010 . 3 . . . . 225 PHE HD1 . 19056 1 873 . 1 1 116 116 PHE CA C 13 55.914 0.038 . 1 . . . . 225 PHE CA . 19056 1 874 . 1 1 116 116 PHE CB C 13 40.965 0.027 . 1 . . . . 225 PHE CB . 19056 1 875 . 1 1 116 116 PHE N N 15 115.392 0.044 . 1 . . . . 225 PHE N . 19056 1 876 . 1 1 117 117 SER H H 1 9.307 0.007 . 1 . . . . 226 SER H . 19056 1 877 . 1 1 117 117 SER HA H 1 5.343 0.011 . 1 . . . . 226 SER HA . 19056 1 878 . 1 1 117 117 SER HB2 H 1 3.696 0.013 . 2 . . . . 226 SER HB2 . 19056 1 879 . 1 1 117 117 SER HB3 H 1 3.724 0.010 . 2 . . . . 226 SER HB3 . 19056 1 880 . 1 1 117 117 SER CA C 13 58.549 0.041 . 1 . . . . 226 SER CA . 19056 1 881 . 1 1 117 117 SER CB C 13 64.660 0.026 . 1 . . . . 226 SER CB . 19056 1 882 . 1 1 117 117 SER N N 15 117.688 0.041 . 1 . . . . 226 SER N . 19056 1 883 . 1 1 118 118 VAL H H 1 7.949 0.009 . 1 . . . . 227 VAL H . 19056 1 884 . 1 1 118 118 VAL HA H 1 4.961 0.010 . 1 . . . . 227 VAL HA . 19056 1 885 . 1 1 118 118 VAL HB H 1 2.363 0.011 . 1 . . . . 227 VAL HB . 19056 1 886 . 1 1 118 118 VAL HG11 H 1 0.978 0.014 . 2 . . . . 227 VAL HG11 . 19056 1 887 . 1 1 118 118 VAL HG12 H 1 0.978 0.014 . 2 . . . . 227 VAL HG11 . 19056 1 888 . 1 1 118 118 VAL HG13 H 1 0.978 0.014 . 2 . . . . 227 VAL HG11 . 19056 1 889 . 1 1 118 118 VAL HG21 H 1 0.542 0.007 . 2 . . . . 227 VAL HG21 . 19056 1 890 . 1 1 118 118 VAL HG22 H 1 0.542 0.007 . 2 . . . . 227 VAL HG21 . 19056 1 891 . 1 1 118 118 VAL HG23 H 1 0.542 0.007 . 2 . . . . 227 VAL HG21 . 19056 1 892 . 1 1 118 118 VAL CA C 13 58.451 0.124 . 1 . . . . 227 VAL CA . 19056 1 893 . 1 1 118 118 VAL CB C 13 35.073 0.012 . 1 . . . . 227 VAL CB . 19056 1 894 . 1 1 118 118 VAL CG1 C 13 23.100 0.001 . 2 . . . . 227 VAL CG1 . 19056 1 895 . 1 1 118 118 VAL CG2 C 13 18.997 0.150 . 2 . . . . 227 VAL CG2 . 19056 1 896 . 1 1 118 118 VAL N N 15 113.881 0.034 . 1 . . . . 227 VAL N . 19056 1 897 . 1 1 119 119 SER H H 1 8.973 0.006 . 1 . . . . 228 SER H . 19056 1 898 . 1 1 119 119 SER HA H 1 4.383 0.018 . 1 . . . . 228 SER HA . 19056 1 899 . 1 1 119 119 SER HB2 H 1 3.907 0.013 . 2 . . . . 228 SER HB2 . 19056 1 900 . 1 1 119 119 SER HB3 H 1 3.655 0.015 . 2 . . . . 228 SER HB3 . 19056 1 901 . 1 1 119 119 SER CA C 13 59.213 0.068 . 1 . . . . 228 SER CA . 19056 1 902 . 1 1 119 119 SER CB C 13 63.482 0.024 . 1 . . . . 228 SER CB . 19056 1 903 . 1 1 119 119 SER N N 15 114.470 0.061 . 1 . . . . 228 SER N . 19056 1 904 . 1 1 120 120 ASN H H 1 9.030 0.014 . 1 . . . . 229 ASN H . 19056 1 905 . 1 1 120 120 ASN HA H 1 4.533 0.012 . 1 . . . . 229 ASN HA . 19056 1 906 . 1 1 120 120 ASN HB2 H 1 2.778 0.010 . 2 . . . . 229 ASN HB2 . 19056 1 907 . 1 1 120 120 ASN CA C 13 55.620 0.026 . 1 . . . . 229 ASN CA . 19056 1 908 . 1 1 120 120 ASN CB C 13 39.407 0.058 . 1 . . . . 229 ASN CB . 19056 1 909 . 1 1 120 120 ASN N N 15 122.887 0.073 . 1 . . . . 229 ASN N . 19056 1 910 . 1 1 121 121 GLY H H 1 8.997 0.013 . 1 . . . . 230 GLY H . 19056 1 911 . 1 1 121 121 GLY HA2 H 1 4.186 0.011 . 2 . . . . 230 GLY HA2 . 19056 1 912 . 1 1 121 121 GLY CA C 13 45.071 0.049 . 1 . . . . 230 GLY CA . 19056 1 913 . 1 1 121 121 GLY N N 15 113.501 0.056 . 1 . . . . 230 GLY N . 19056 1 914 . 1 1 122 122 THR H H 1 7.568 0.008 . 1 . . . . 231 THR H . 19056 1 915 . 1 1 122 122 THR HA H 1 3.876 0.009 . 1 . . . . 231 THR HA . 19056 1 916 . 1 1 122 122 THR HB H 1 3.889 0.005 . 1 . . . . 231 THR HB . 19056 1 917 . 1 1 122 122 THR CA C 13 66.410 0.053 . 1 . . . . 231 THR CA . 19056 1 918 . 1 1 122 122 THR CB C 13 70.029 0.010 . 1 . . . . 231 THR CB . 19056 1 919 . 1 1 122 122 THR CG2 C 13 23.175 0.150 . 1 . . . . 231 THR CG2 . 19056 1 920 . 1 1 122 122 THR N N 15 119.755 0.038 . 1 . . . . 231 THR N . 19056 1 921 . 1 1 123 123 LYS H H 1 9.115 0.005 . 1 . . . . 232 LYS H . 19056 1 922 . 1 1 123 123 LYS HA H 1 4.660 0.013 . 1 . . . . 232 LYS HA . 19056 1 923 . 1 1 123 123 LYS HB2 H 1 2.014 0.012 . 2 . . . . 232 LYS HB2 . 19056 1 924 . 1 1 123 123 LYS HB3 H 1 1.800 0.024 . 2 . . . . 232 LYS HB3 . 19056 1 925 . 1 1 123 123 LYS HG2 H 1 1.641 0.005 . 2 . . . . 232 LYS HG2 . 19056 1 926 . 1 1 123 123 LYS HD2 H 1 1.691 0.011 . 2 . . . . 232 LYS HD2 . 19056 1 927 . 1 1 123 123 LYS HE2 H 1 3.022 0.003 . 2 . . . . 232 LYS HE2 . 19056 1 928 . 1 1 123 123 LYS CA C 13 56.523 0.028 . 1 . . . . 232 LYS CA . 19056 1 929 . 1 1 123 123 LYS CB C 13 35.960 0.077 . 1 . . . . 232 LYS CB . 19056 1 930 . 1 1 123 123 LYS CG C 13 26.447 0.150 . 1 . . . . 232 LYS CG . 19056 1 931 . 1 1 123 123 LYS CD C 13 29.518 0.150 . 1 . . . . 232 LYS CD . 19056 1 932 . 1 1 123 123 LYS CE C 13 42.992 0.150 . 1 . . . . 232 LYS CE . 19056 1 933 . 1 1 123 123 LYS N N 15 126.711 0.031 . 1 . . . . 232 LYS N . 19056 1 934 . 1 1 124 124 ALA H H 1 7.816 0.009 . 1 . . . . 233 ALA H . 19056 1 935 . 1 1 124 124 ALA HA H 1 5.393 0.017 . 1 . . . . 233 ALA HA . 19056 1 936 . 1 1 124 124 ALA HB1 H 1 1.353 0.011 . 1 . . . . 233 ALA HB1 . 19056 1 937 . 1 1 124 124 ALA HB2 H 1 1.353 0.011 . 1 . . . . 233 ALA HB1 . 19056 1 938 . 1 1 124 124 ALA HB3 H 1 1.353 0.011 . 1 . . . . 233 ALA HB1 . 19056 1 939 . 1 1 124 124 ALA CA C 13 51.915 0.078 . 1 . . . . 233 ALA CA . 19056 1 940 . 1 1 124 124 ALA CB C 13 22.999 0.137 . 1 . . . . 233 ALA CB . 19056 1 941 . 1 1 124 124 ALA N N 15 121.189 0.092 . 1 . . . . 233 ALA N . 19056 1 942 . 1 1 125 125 VAL H H 1 8.478 0.004 . 1 . . . . 234 VAL H . 19056 1 943 . 1 1 125 125 VAL HA H 1 4.869 0.008 . 1 . . . . 234 VAL HA . 19056 1 944 . 1 1 125 125 VAL HB H 1 2.150 0.011 . 1 . . . . 234 VAL HB . 19056 1 945 . 1 1 125 125 VAL HG11 H 1 0.972 0.011 . 2 . . . . 234 VAL HG11 . 19056 1 946 . 1 1 125 125 VAL HG12 H 1 0.972 0.011 . 2 . . . . 234 VAL HG11 . 19056 1 947 . 1 1 125 125 VAL HG13 H 1 0.972 0.011 . 2 . . . . 234 VAL HG11 . 19056 1 948 . 1 1 125 125 VAL HG21 H 1 0.756 0.010 . 2 . . . . 234 VAL HG21 . 19056 1 949 . 1 1 125 125 VAL HG22 H 1 0.756 0.010 . 2 . . . . 234 VAL HG21 . 19056 1 950 . 1 1 125 125 VAL HG23 H 1 0.756 0.010 . 2 . . . . 234 VAL HG21 . 19056 1 951 . 1 1 125 125 VAL CA C 13 59.960 0.078 . 1 . . . . 234 VAL CA . 19056 1 952 . 1 1 125 125 VAL CB C 13 35.443 0.066 . 1 . . . . 234 VAL CB . 19056 1 953 . 1 1 125 125 VAL CG1 C 13 23.601 0.150 . 2 . . . . 234 VAL CG1 . 19056 1 954 . 1 1 125 125 VAL CG2 C 13 19.471 0.150 . 2 . . . . 234 VAL CG2 . 19056 1 955 . 1 1 125 125 VAL N N 15 110.844 0.032 . 1 . . . . 234 VAL N . 19056 1 956 . 1 1 126 126 LYS H H 1 8.671 0.011 . 1 . . . . 235 LYS H . 19056 1 957 . 1 1 126 126 LYS HA H 1 4.735 0.011 . 1 . . . . 235 LYS HA . 19056 1 958 . 1 1 126 126 LYS HB2 H 1 1.542 0.010 . 2 . . . . 235 LYS HB2 . 19056 1 959 . 1 1 126 126 LYS HG2 H 1 0.842 0.003 . 2 . . . . 235 LYS HG2 . 19056 1 960 . 1 1 126 126 LYS HG3 H 1 0.793 0.004 . 2 . . . . 235 LYS HG3 . 19056 1 961 . 1 1 126 126 LYS HE2 H 1 2.653 0.007 . 2 . . . . 235 LYS HE2 . 19056 1 962 . 1 1 126 126 LYS CA C 13 55.051 0.054 . 1 . . . . 235 LYS CA . 19056 1 963 . 1 1 126 126 LYS CB C 13 35.333 0.156 . 1 . . . . 235 LYS CB . 19056 1 964 . 1 1 126 126 LYS CG C 13 25.350 0.150 . 1 . . . . 235 LYS CG . 19056 1 965 . 1 1 126 126 LYS CD C 13 30.175 0.150 . 1 . . . . 235 LYS CD . 19056 1 966 . 1 1 126 126 LYS CE C 13 42.111 0.109 . 1 . . . . 235 LYS CE . 19056 1 967 . 1 1 126 126 LYS N N 15 122.895 0.045 . 1 . . . . 235 LYS N . 19056 1 968 . 1 1 127 127 ILE H H 1 9.344 0.008 . 1 . . . . 236 ILE H . 19056 1 969 . 1 1 127 127 ILE HA H 1 5.038 0.016 . 1 . . . . 236 ILE HA . 19056 1 970 . 1 1 127 127 ILE HB H 1 1.169 0.009 . 1 . . . . 236 ILE HB . 19056 1 971 . 1 1 127 127 ILE HG12 H 1 0.822 0.014 . 2 . . . . 236 ILE HG12 . 19056 1 972 . 1 1 127 127 ILE HG21 H 1 0.716 0.009 . 1 . . . . 236 ILE HG21 . 19056 1 973 . 1 1 127 127 ILE HG22 H 1 0.716 0.009 . 1 . . . . 236 ILE HG21 . 19056 1 974 . 1 1 127 127 ILE HG23 H 1 0.716 0.009 . 1 . . . . 236 ILE HG21 . 19056 1 975 . 1 1 127 127 ILE HD11 H 1 0.079 0.005 . 1 . . . . 236 ILE HD11 . 19056 1 976 . 1 1 127 127 ILE HD12 H 1 0.079 0.005 . 1 . . . . 236 ILE HD11 . 19056 1 977 . 1 1 127 127 ILE HD13 H 1 0.079 0.005 . 1 . . . . 236 ILE HD11 . 19056 1 978 . 1 1 127 127 ILE CA C 13 59.730 0.014 . 1 . . . . 236 ILE CA . 19056 1 979 . 1 1 127 127 ILE CB C 13 42.147 0.088 . 1 . . . . 236 ILE CB . 19056 1 980 . 1 1 127 127 ILE CG2 C 13 21.233 0.150 . 1 . . . . 236 ILE CG2 . 19056 1 981 . 1 1 127 127 ILE CD1 C 13 17.264 0.036 . 1 . . . . 236 ILE CD1 . 19056 1 982 . 1 1 127 127 ILE N N 15 125.680 0.031 . 1 . . . . 236 ILE N . 19056 1 983 . 1 1 128 128 VAL H H 1 9.056 0.012 . 1 . . . . 237 VAL H . 19056 1 984 . 1 1 128 128 VAL HA H 1 4.184 0.010 . 1 . . . . 237 VAL HA . 19056 1 985 . 1 1 128 128 VAL HB H 1 2.144 0.015 . 1 . . . . 237 VAL HB . 19056 1 986 . 1 1 128 128 VAL HG11 H 1 1.049 0.010 . 2 . . . . 237 VAL HG11 . 19056 1 987 . 1 1 128 128 VAL HG12 H 1 1.049 0.010 . 2 . . . . 237 VAL HG11 . 19056 1 988 . 1 1 128 128 VAL HG13 H 1 1.049 0.010 . 2 . . . . 237 VAL HG11 . 19056 1 989 . 1 1 128 128 VAL HG21 H 1 0.914 0.011 . 2 . . . . 237 VAL HG21 . 19056 1 990 . 1 1 128 128 VAL HG22 H 1 0.914 0.011 . 2 . . . . 237 VAL HG21 . 19056 1 991 . 1 1 128 128 VAL HG23 H 1 0.914 0.011 . 2 . . . . 237 VAL HG21 . 19056 1 992 . 1 1 128 128 VAL CA C 13 62.951 0.020 . 1 . . . . 237 VAL CA . 19056 1 993 . 1 1 128 128 VAL CB C 13 34.148 0.011 . 1 . . . . 237 VAL CB . 19056 1 994 . 1 1 128 128 VAL N N 15 133.720 0.029 . 1 . . . . 237 VAL N . 19056 1 995 . 1 1 129 129 SER H H 1 8.383 0.011 . 1 . . . . 238 SER H . 19056 1 996 . 1 1 129 129 SER HA H 1 5.339 0.011 . 1 . . . . 238 SER HA . 19056 1 997 . 1 1 129 129 SER HB2 H 1 4.432 0.001 . 2 . . . . 238 SER HB2 . 19056 1 998 . 1 1 129 129 SER CA C 13 57.482 0.014 . 1 . . . . 238 SER CA . 19056 1 999 . 1 1 129 129 SER CB C 13 69.645 0.055 . 1 . . . . 238 SER CB . 19056 1 1000 . 1 1 129 129 SER N N 15 115.693 0.028 . 1 . . . . 238 SER N . 19056 1 1001 . 1 1 130 130 SER H H 1 9.856 0.009 . 1 . . . . 239 SER H . 19056 1 1002 . 1 1 130 130 SER HA H 1 5.740 0.007 . 1 . . . . 239 SER HA . 19056 1 1003 . 1 1 130 130 SER HB2 H 1 4.210 0.023 . 2 . . . . 239 SER HB2 . 19056 1 1004 . 1 1 130 130 SER CA C 13 57.936 0.068 . 1 . . . . 239 SER CA . 19056 1 1005 . 1 1 130 130 SER CB C 13 67.559 0.023 . 1 . . . . 239 SER CB . 19056 1 1006 . 1 1 130 130 SER N N 15 116.010 0.066 . 1 . . . . 239 SER N . 19056 1 1007 . 1 1 131 131 THR H H 1 9.293 0.006 . 1 . . . . 240 THR H . 19056 1 1008 . 1 1 131 131 THR HA H 1 5.298 0.012 . 1 . . . . 240 THR HA . 19056 1 1009 . 1 1 131 131 THR HB H 1 3.927 0.014 . 1 . . . . 240 THR HB . 19056 1 1010 . 1 1 131 131 THR HG21 H 1 0.434 0.010 . 1 . . . . 240 THR HG21 . 19056 1 1011 . 1 1 131 131 THR HG22 H 1 0.434 0.010 . 1 . . . . 240 THR HG21 . 19056 1 1012 . 1 1 131 131 THR HG23 H 1 0.434 0.010 . 1 . . . . 240 THR HG21 . 19056 1 1013 . 1 1 131 131 THR CA C 13 59.880 0.123 . 1 . . . . 240 THR CA . 19056 1 1014 . 1 1 131 131 THR CB C 13 72.641 0.084 . 1 . . . . 240 THR CB . 19056 1 1015 . 1 1 131 131 THR N N 15 111.657 0.072 . 1 . . . . 240 THR N . 19056 1 1016 . 1 1 132 132 HIS H H 1 8.916 0.006 . 1 . . . . 241 HIS H . 19056 1 1017 . 1 1 132 132 HIS HA H 1 5.123 0.010 . 1 . . . . 241 HIS HA . 19056 1 1018 . 1 1 132 132 HIS HB2 H 1 3.261 0.002 . 2 . . . . 241 HIS HB2 . 19056 1 1019 . 1 1 132 132 HIS HB3 H 1 2.470 0.008 . 2 . . . . 241 HIS HB3 . 19056 1 1020 . 1 1 132 132 HIS CA C 13 56.359 0.103 . 1 . . . . 241 HIS CA . 19056 1 1021 . 1 1 132 132 HIS CB C 13 33.995 0.057 . 1 . . . . 241 HIS CB . 19056 1 1022 . 1 1 132 132 HIS N N 15 123.091 0.044 . 1 . . . . 241 HIS N . 19056 1 1023 . 1 1 133 133 PHE H H 1 8.390 0.004 . 1 . . . . 242 PHE H . 19056 1 1024 . 1 1 133 133 PHE HA H 1 4.796 0.006 . 1 . . . . 242 PHE HA . 19056 1 1025 . 1 1 133 133 PHE HB2 H 1 3.291 0.005 . 2 . . . . 242 PHE HB2 . 19056 1 1026 . 1 1 133 133 PHE HB3 H 1 3.141 0.011 . 2 . . . . 242 PHE HB3 . 19056 1 1027 . 1 1 133 133 PHE HD1 H 1 6.854 0.150 . 3 . . . . 242 PHE HD1 . 19056 1 1028 . 1 1 133 133 PHE CA C 13 58.138 0.001 . 1 . . . . 242 PHE CA . 19056 1 1029 . 1 1 133 133 PHE CB C 13 41.795 0.150 . 1 . . . . 242 PHE CB . 19056 1 1030 . 1 1 133 133 PHE N N 15 124.924 0.059 . 1 . . . . 242 PHE N . 19056 1 1031 . 1 1 135 135 ASN HA H 1 4.153 0.015 . 1 . . . . 244 ASN HA . 19056 1 1032 . 1 1 135 135 ASN HB2 H 1 3.047 0.012 . 2 . . . . 244 ASN HB2 . 19056 1 1033 . 1 1 135 135 ASN HB3 H 1 2.789 0.013 . 2 . . . . 244 ASN HB3 . 19056 1 1034 . 1 1 135 135 ASN CA C 13 54.793 0.070 . 1 . . . . 244 ASN CA . 19056 1 1035 . 1 1 135 135 ASN CB C 13 38.644 0.082 . 1 . . . . 244 ASN CB . 19056 1 1036 . 1 1 136 136 LYS H H 1 7.367 0.015 . 1 . . . . 245 LYS H . 19056 1 1037 . 1 1 136 136 LYS HA H 1 4.440 0.010 . 1 . . . . 245 LYS HA . 19056 1 1038 . 1 1 136 136 LYS HB2 H 1 1.727 0.008 . 2 . . . . 245 LYS HB2 . 19056 1 1039 . 1 1 136 136 LYS HG2 H 1 1.289 0.010 . 2 . . . . 245 LYS HG2 . 19056 1 1040 . 1 1 136 136 LYS HD2 H 1 1.639 0.004 . 2 . . . . 245 LYS HD2 . 19056 1 1041 . 1 1 136 136 LYS HE2 H 1 3.058 0.150 . 2 . . . . 245 LYS HE2 . 19056 1 1042 . 1 1 136 136 LYS HE3 H 1 2.949 0.004 . 2 . . . . 245 LYS HE3 . 19056 1 1043 . 1 1 136 136 LYS CA C 13 55.623 0.143 . 1 . . . . 245 LYS CA . 19056 1 1044 . 1 1 136 136 LYS CB C 13 35.672 0.031 . 1 . . . . 245 LYS CB . 19056 1 1045 . 1 1 136 136 LYS CG C 13 24.536 0.150 . 1 . . . . 245 LYS CG . 19056 1 1046 . 1 1 136 136 LYS CD C 13 29.648 0.150 . 1 . . . . 245 LYS CD . 19056 1 1047 . 1 1 136 136 LYS CE C 13 42.603 0.150 . 1 . . . . 245 LYS CE . 19056 1 1048 . 1 1 136 136 LYS N N 15 119.085 0.032 . 1 . . . . 245 LYS N . 19056 1 1049 . 1 1 137 137 GLU H H 1 8.443 0.008 . 1 . . . . 246 GLU H . 19056 1 1050 . 1 1 137 137 GLU HA H 1 4.940 0.017 . 1 . . . . 246 GLU HA . 19056 1 1051 . 1 1 137 137 GLU HB2 H 1 1.948 0.006 . 2 . . . . 246 GLU HB2 . 19056 1 1052 . 1 1 137 137 GLU HG2 H 1 2.286 0.007 . 2 . . . . 246 GLU HG2 . 19056 1 1053 . 1 1 137 137 GLU CA C 13 55.849 0.044 . 1 . . . . 246 GLU CA . 19056 1 1054 . 1 1 137 137 GLU CB C 13 31.178 0.004 . 1 . . . . 246 GLU CB . 19056 1 1055 . 1 1 137 137 GLU CG C 13 37.204 0.150 . 1 . . . . 246 GLU CG . 19056 1 1056 . 1 1 137 137 GLU N N 15 124.807 0.172 . 1 . . . . 246 GLU N . 19056 1 1057 . 1 1 138 138 GLU H H 1 8.868 0.012 . 1 . . . . 247 GLU H . 19056 1 1058 . 1 1 138 138 GLU HA H 1 4.516 0.007 . 1 . . . . 247 GLU HA . 19056 1 1059 . 1 1 138 138 GLU HB2 H 1 1.828 0.007 . 2 . . . . 247 GLU HB2 . 19056 1 1060 . 1 1 138 138 GLU CA C 13 55.826 0.150 . 1 . . . . 247 GLU CA . 19056 1 1061 . 1 1 138 138 GLU CB C 13 31.073 0.150 . 1 . . . . 247 GLU CB . 19056 1 1062 . 1 1 138 138 GLU N N 15 129.638 0.150 . 1 . . . . 247 GLU N . 19056 1 1063 . 1 1 139 139 LYS HA H 1 4.285 0.004 . 1 . . . . 248 LYS HA . 19056 1 1064 . 1 1 139 139 LYS HB2 H 1 1.752 0.044 . 2 . . . . 248 LYS HB2 . 19056 1 1065 . 1 1 139 139 LYS HD2 H 1 1.354 0.011 . 2 . . . . 248 LYS HD2 . 19056 1 1066 . 1 1 139 139 LYS HE2 H 1 2.708 0.150 . 2 . . . . 248 LYS HE2 . 19056 1 1067 . 1 1 139 139 LYS CA C 13 57.110 0.006 . 1 . . . . 248 LYS CA . 19056 1 1068 . 1 1 139 139 LYS CB C 13 34.254 0.045 . 1 . . . . 248 LYS CB . 19056 1 1069 . 1 1 139 139 LYS CG C 13 26.132 0.150 . 1 . . . . 248 LYS CG . 19056 1 1070 . 1 1 139 139 LYS CD C 13 29.576 0.150 . 1 . . . . 248 LYS CD . 19056 1 1071 . 1 1 139 139 LYS CE C 13 42.135 0.150 . 1 . . . . 248 LYS CE . 19056 1 1072 . 1 1 140 140 TYR H H 1 8.849 0.006 . 1 . . . . 249 TYR H . 19056 1 1073 . 1 1 140 140 TYR HA H 1 4.902 0.003 . 1 . . . . 249 TYR HA . 19056 1 1074 . 1 1 140 140 TYR HB2 H 1 3.119 0.014 . 2 . . . . 249 TYR HB2 . 19056 1 1075 . 1 1 140 140 TYR HB3 H 1 2.650 0.009 . 2 . . . . 249 TYR HB3 . 19056 1 1076 . 1 1 140 140 TYR HD1 H 1 7.061 0.011 . 3 . . . . 249 TYR HD1 . 19056 1 1077 . 1 1 140 140 TYR HE1 H 1 6.718 0.006 . 3 . . . . 249 TYR HE1 . 19056 1 1078 . 1 1 140 140 TYR CA C 13 56.754 0.150 . 1 . . . . 249 TYR CA . 19056 1 1079 . 1 1 140 140 TYR CB C 13 38.033 0.150 . 1 . . . . 249 TYR CB . 19056 1 1080 . 1 1 140 140 TYR N N 15 122.913 0.082 . 1 . . . . 249 TYR N . 19056 1 1081 . 1 1 141 141 ASP HA H 1 4.510 0.005 . 1 . . . . 250 ASP HA . 19056 1 1082 . 1 1 141 141 ASP HB2 H 1 2.707 0.007 . 2 . . . . 250 ASP HB2 . 19056 1 1083 . 1 1 141 141 ASP CA C 13 56.578 0.150 . 1 . . . . 250 ASP CA . 19056 1 1084 . 1 1 141 141 ASP CB C 13 41.135 0.150 . 1 . . . . 250 ASP CB . 19056 1 1085 . 1 1 142 142 TYR H H 1 7.960 0.004 . 1 . . . . 251 TYR H . 19056 1 1086 . 1 1 142 142 TYR HA H 1 4.272 0.006 . 1 . . . . 251 TYR HA . 19056 1 1087 . 1 1 142 142 TYR HB2 H 1 2.983 0.012 . 2 . . . . 251 TYR HB2 . 19056 1 1088 . 1 1 142 142 TYR HD1 H 1 6.956 0.007 . 3 . . . . 251 TYR HD1 . 19056 1 1089 . 1 1 142 142 TYR CA C 13 60.148 0.013 . 1 . . . . 251 TYR CA . 19056 1 1090 . 1 1 142 142 TYR CB C 13 41.077 0.062 . 1 . . . . 251 TYR CB . 19056 1 1091 . 1 1 142 142 TYR N N 15 117.308 0.017 . 1 . . . . 251 TYR N . 19056 1 1092 . 1 1 143 143 THR H H 1 7.539 0.004 . 1 . . . . 252 THR H . 19056 1 1093 . 1 1 143 143 THR HA H 1 4.507 0.009 . 1 . . . . 252 THR HA . 19056 1 1094 . 1 1 143 143 THR HB H 1 3.409 0.007 . 1 . . . . 252 THR HB . 19056 1 1095 . 1 1 143 143 THR HG21 H 1 1.281 0.014 . 1 . . . . 252 THR HG21 . 19056 1 1096 . 1 1 143 143 THR HG22 H 1 1.281 0.014 . 1 . . . . 252 THR HG21 . 19056 1 1097 . 1 1 143 143 THR HG23 H 1 1.281 0.014 . 1 . . . . 252 THR HG21 . 19056 1 1098 . 1 1 143 143 THR CA C 13 63.079 0.056 . 1 . . . . 252 THR CA . 19056 1 1099 . 1 1 143 143 THR CB C 13 71.810 0.044 . 1 . . . . 252 THR CB . 19056 1 1100 . 1 1 143 143 THR CG2 C 13 22.897 0.150 . 1 . . . . 252 THR CG2 . 19056 1 1101 . 1 1 143 143 THR N N 15 126.814 0.064 . 1 . . . . 252 THR N . 19056 1 1102 . 1 1 144 144 LEU H H 1 9.979 0.009 . 1 . . . . 253 LEU H . 19056 1 1103 . 1 1 144 144 LEU HA H 1 4.610 0.007 . 1 . . . . 253 LEU HA . 19056 1 1104 . 1 1 144 144 LEU HB2 H 1 1.816 0.012 . 2 . . . . 253 LEU HB2 . 19056 1 1105 . 1 1 144 144 LEU HB3 H 1 1.374 0.020 . 2 . . . . 253 LEU HB3 . 19056 1 1106 . 1 1 144 144 LEU HG H 1 1.183 0.150 . 1 . . . . 253 LEU HG . 19056 1 1107 . 1 1 144 144 LEU HD11 H 1 0.836 0.016 . 2 . . . . 253 LEU HD11 . 19056 1 1108 . 1 1 144 144 LEU HD12 H 1 0.836 0.016 . 2 . . . . 253 LEU HD11 . 19056 1 1109 . 1 1 144 144 LEU HD13 H 1 0.836 0.016 . 2 . . . . 253 LEU HD11 . 19056 1 1110 . 1 1 144 144 LEU HD21 H 1 0.744 0.001 . 2 . . . . 253 LEU HD21 . 19056 1 1111 . 1 1 144 144 LEU HD22 H 1 0.744 0.001 . 2 . . . . 253 LEU HD21 . 19056 1 1112 . 1 1 144 144 LEU HD23 H 1 0.744 0.001 . 2 . . . . 253 LEU HD21 . 19056 1 1113 . 1 1 144 144 LEU CA C 13 53.812 0.111 . 1 . . . . 253 LEU CA . 19056 1 1114 . 1 1 144 144 LEU CB C 13 44.801 0.030 . 1 . . . . 253 LEU CB . 19056 1 1115 . 1 1 144 144 LEU CG C 13 25.917 0.150 . 1 . . . . 253 LEU CG . 19056 1 1116 . 1 1 144 144 LEU CD1 C 13 23.507 0.150 . 2 . . . . 253 LEU CD1 . 19056 1 1117 . 1 1 144 144 LEU N N 15 130.173 0.079 . 1 . . . . 253 LEU N . 19056 1 1118 . 1 1 145 145 MET H H 1 9.148 0.010 . 1 . . . . 254 MET H . 19056 1 1119 . 1 1 145 145 MET HA H 1 5.171 0.012 . 1 . . . . 254 MET HA . 19056 1 1120 . 1 1 145 145 MET HB2 H 1 1.951 0.012 . 2 . . . . 254 MET HB2 . 19056 1 1121 . 1 1 145 145 MET HG2 H 1 1.605 0.010 . 2 . . . . 254 MET HG2 . 19056 1 1122 . 1 1 145 145 MET HG3 H 1 1.558 0.010 . 2 . . . . 254 MET HG3 . 19056 1 1123 . 1 1 145 145 MET CA C 13 55.031 0.113 . 1 . . . . 254 MET CA . 19056 1 1124 . 1 1 145 145 MET CB C 13 32.939 0.035 . 1 . . . . 254 MET CB . 19056 1 1125 . 1 1 145 145 MET N N 15 130.636 0.045 . 1 . . . . 254 MET N . 19056 1 1126 . 1 1 146 146 GLU H H 1 8.658 0.005 . 1 . . . . 255 GLU H . 19056 1 1127 . 1 1 146 146 GLU HA H 1 4.691 0.009 . 1 . . . . 255 GLU HA . 19056 1 1128 . 1 1 146 146 GLU HB2 H 1 1.892 0.015 . 2 . . . . 255 GLU HB2 . 19056 1 1129 . 1 1 146 146 GLU HB3 H 1 1.758 0.009 . 2 . . . . 255 GLU HB3 . 19056 1 1130 . 1 1 146 146 GLU HG2 H 1 2.194 0.021 . 2 . . . . 255 GLU HG2 . 19056 1 1131 . 1 1 146 146 GLU CA C 13 54.940 0.043 . 1 . . . . 255 GLU CA . 19056 1 1132 . 1 1 146 146 GLU CB C 13 32.774 0.153 . 1 . . . . 255 GLU CB . 19056 1 1133 . 1 1 146 146 GLU CG C 13 36.929 0.150 . 1 . . . . 255 GLU CG . 19056 1 1134 . 1 1 146 146 GLU N N 15 126.777 0.049 . 1 . . . . 255 GLU N . 19056 1 1135 . 1 1 147 147 PHE H H 1 8.781 0.014 . 1 . . . . 256 PHE H . 19056 1 1136 . 1 1 147 147 PHE HA H 1 4.951 0.025 . 1 . . . . 256 PHE HA . 19056 1 1137 . 1 1 147 147 PHE HB2 H 1 3.539 0.012 . 2 . . . . 256 PHE HB2 . 19056 1 1138 . 1 1 147 147 PHE HB3 H 1 3.137 0.014 . 2 . . . . 256 PHE HB3 . 19056 1 1139 . 1 1 147 147 PHE HD1 H 1 7.179 0.014 . 3 . . . . 256 PHE HD1 . 19056 1 1140 . 1 1 147 147 PHE CA C 13 59.013 0.002 . 1 . . . . 256 PHE CA . 19056 1 1141 . 1 1 147 147 PHE CB C 13 41.360 0.023 . 1 . . . . 256 PHE CB . 19056 1 1142 . 1 1 147 147 PHE N N 15 128.145 0.043 . 1 . . . . 256 PHE N . 19056 1 1143 . 1 1 148 148 ALA H H 1 8.620 0.004 . 1 . . . . 257 ALA H . 19056 1 1144 . 1 1 148 148 ALA HA H 1 4.171 0.013 . 1 . . . . 257 ALA HA . 19056 1 1145 . 1 1 148 148 ALA HB1 H 1 1.623 0.004 . 1 . . . . 257 ALA HB1 . 19056 1 1146 . 1 1 148 148 ALA HB2 H 1 1.623 0.004 . 1 . . . . 257 ALA HB1 . 19056 1 1147 . 1 1 148 148 ALA HB3 H 1 1.623 0.004 . 1 . . . . 257 ALA HB1 . 19056 1 1148 . 1 1 148 148 ALA CA C 13 55.306 0.050 . 1 . . . . 257 ALA CA . 19056 1 1149 . 1 1 148 148 ALA CB C 13 20.440 0.029 . 1 . . . . 257 ALA CB . 19056 1 1150 . 1 1 148 148 ALA N N 15 122.739 0.030 . 1 . . . . 257 ALA N . 19056 1 1151 . 1 1 149 149 GLN H H 1 7.655 0.013 . 1 . . . . 258 GLN H . 19056 1 1152 . 1 1 149 149 GLN HA H 1 4.866 0.009 . 1 . . . . 258 GLN HA . 19056 1 1153 . 1 1 149 149 GLN HB2 H 1 2.378 0.024 . 2 . . . . 258 GLN HB2 . 19056 1 1154 . 1 1 149 149 GLN HB3 H 1 2.051 0.008 . 2 . . . . 258 GLN HB3 . 19056 1 1155 . 1 1 149 149 GLN CA C 13 53.277 0.150 . 1 . . . . 258 GLN CA . 19056 1 1156 . 1 1 149 149 GLN CB C 13 31.526 0.150 . 1 . . . . 258 GLN CB . 19056 1 1157 . 1 1 149 149 GLN N N 15 111.209 0.032 . 1 . . . . 258 GLN N . 19056 1 1158 . 1 1 150 150 PRO HA H 1 4.285 0.031 . 1 . . . . 259 PRO HA . 19056 1 1159 . 1 1 150 150 PRO HB2 H 1 1.955 0.003 . 2 . . . . 259 PRO HB2 . 19056 1 1160 . 1 1 150 150 PRO HB3 H 1 2.071 0.150 . 2 . . . . 259 PRO HB3 . 19056 1 1161 . 1 1 150 150 PRO HG2 H 1 1.431 0.150 . 2 . . . . 259 PRO HG2 . 19056 1 1162 . 1 1 150 150 PRO CA C 13 62.374 0.039 . 1 . . . . 259 PRO CA . 19056 1 1163 . 1 1 150 150 PRO CB C 13 31.537 0.046 . 1 . . . . 259 PRO CB . 19056 1 1164 . 1 1 150 150 PRO CG C 13 25.533 0.150 . 1 . . . . 259 PRO CG . 19056 1 1165 . 1 1 150 150 PRO CD C 13 50.846 0.150 . 1 . . . . 259 PRO CD . 19056 1 1166 . 1 1 151 151 ILE H H 1 8.069 0.006 . 1 . . . . 260 ILE H . 19056 1 1167 . 1 1 151 151 ILE HA H 1 3.781 0.012 . 1 . . . . 260 ILE HA . 19056 1 1168 . 1 1 151 151 ILE HB H 1 1.751 0.010 . 1 . . . . 260 ILE HB . 19056 1 1169 . 1 1 151 151 ILE HG21 H 1 0.595 0.016 . 1 . . . . 260 ILE HG21 . 19056 1 1170 . 1 1 151 151 ILE HG22 H 1 0.595 0.016 . 1 . . . . 260 ILE HG21 . 19056 1 1171 . 1 1 151 151 ILE HG23 H 1 0.595 0.016 . 1 . . . . 260 ILE HG21 . 19056 1 1172 . 1 1 151 151 ILE HD11 H 1 0.199 0.009 . 1 . . . . 260 ILE HD11 . 19056 1 1173 . 1 1 151 151 ILE HD12 H 1 0.199 0.009 . 1 . . . . 260 ILE HD11 . 19056 1 1174 . 1 1 151 151 ILE HD13 H 1 0.199 0.009 . 1 . . . . 260 ILE HD11 . 19056 1 1175 . 1 1 151 151 ILE CA C 13 60.220 0.042 . 1 . . . . 260 ILE CA . 19056 1 1176 . 1 1 151 151 ILE CB C 13 36.541 0.059 . 1 . . . . 260 ILE CB . 19056 1 1177 . 1 1 151 151 ILE CG1 C 13 27.341 0.150 . 1 . . . . 260 ILE CG1 . 19056 1 1178 . 1 1 151 151 ILE CG2 C 13 19.095 0.003 . 1 . . . . 260 ILE CG2 . 19056 1 1179 . 1 1 151 151 ILE N N 15 119.137 0.132 . 1 . . . . 260 ILE N . 19056 1 1180 . 1 1 152 152 TYR H H 1 6.669 0.007 . 1 . . . . 261 TYR H . 19056 1 1181 . 1 1 152 152 TYR HA H 1 5.263 0.014 . 1 . . . . 261 TYR HA . 19056 1 1182 . 1 1 152 152 TYR HB2 H 1 3.185 0.005 . 2 . . . . 261 TYR HB2 . 19056 1 1183 . 1 1 152 152 TYR HB3 H 1 2.315 0.014 . 2 . . . . 261 TYR HB3 . 19056 1 1184 . 1 1 152 152 TYR CA C 13 57.085 0.003 . 1 . . . . 261 TYR CA . 19056 1 1185 . 1 1 152 152 TYR CB C 13 43.842 0.073 . 1 . . . . 261 TYR CB . 19056 1 1186 . 1 1 152 152 TYR N N 15 123.369 0.043 . 1 . . . . 261 TYR N . 19056 1 1187 . 1 1 153 153 ASN H H 1 8.482 0.005 . 1 . . . . 262 ASN H . 19056 1 1188 . 1 1 153 153 ASN HA H 1 4.982 0.015 . 1 . . . . 262 ASN HA . 19056 1 1189 . 1 1 153 153 ASN HB2 H 1 2.923 0.013 . 2 . . . . 262 ASN HB2 . 19056 1 1190 . 1 1 153 153 ASN CA C 13 53.413 0.026 . 1 . . . . 262 ASN CA . 19056 1 1191 . 1 1 153 153 ASN CB C 13 39.568 0.108 . 1 . . . . 262 ASN CB . 19056 1 1192 . 1 1 153 153 ASN N N 15 116.223 0.045 . 1 . . . . 262 ASN N . 19056 1 1193 . 1 1 154 154 SER H H 1 7.132 0.003 . 1 . . . . 263 SER H . 19056 1 1194 . 1 1 154 154 SER HA H 1 4.037 0.011 . 1 . . . . 263 SER HA . 19056 1 1195 . 1 1 154 154 SER HB2 H 1 3.714 0.009 . 2 . . . . 263 SER HB2 . 19056 1 1196 . 1 1 154 154 SER HB3 H 1 3.499 0.012 . 2 . . . . 263 SER HB3 . 19056 1 1197 . 1 1 154 154 SER CA C 13 57.117 0.056 . 1 . . . . 263 SER CA . 19056 1 1198 . 1 1 154 154 SER CB C 13 65.322 0.052 . 1 . . . . 263 SER CB . 19056 1 1199 . 1 1 154 154 SER N N 15 111.621 0.029 . 1 . . . . 263 SER N . 19056 1 1200 . 1 1 155 155 ALA H H 1 8.282 0.006 . 1 . . . . 264 ALA H . 19056 1 1201 . 1 1 155 155 ALA HA H 1 3.785 0.003 . 1 . . . . 264 ALA HA . 19056 1 1202 . 1 1 155 155 ALA HB1 H 1 1.199 0.010 . 1 . . . . 264 ALA HB1 . 19056 1 1203 . 1 1 155 155 ALA HB2 H 1 1.199 0.010 . 1 . . . . 264 ALA HB1 . 19056 1 1204 . 1 1 155 155 ALA HB3 H 1 1.199 0.010 . 1 . . . . 264 ALA HB1 . 19056 1 1205 . 1 1 155 155 ALA CA C 13 55.328 0.071 . 1 . . . . 264 ALA CA . 19056 1 1206 . 1 1 155 155 ALA CB C 13 18.837 0.063 . 1 . . . . 264 ALA CB . 19056 1 1207 . 1 1 155 155 ALA N N 15 127.289 0.077 . 1 . . . . 264 ALA N . 19056 1 1208 . 1 1 156 156 ASP H H 1 8.210 0.007 . 1 . . . . 265 ASP H . 19056 1 1209 . 1 1 156 156 ASP HA H 1 4.379 0.008 . 1 . . . . 265 ASP HA . 19056 1 1210 . 1 1 156 156 ASP HB2 H 1 2.629 0.009 . 2 . . . . 265 ASP HB2 . 19056 1 1211 . 1 1 156 156 ASP CA C 13 55.834 0.078 . 1 . . . . 265 ASP CA . 19056 1 1212 . 1 1 156 156 ASP CB C 13 40.463 0.080 . 1 . . . . 265 ASP CB . 19056 1 1213 . 1 1 156 156 ASP N N 15 115.110 0.083 . 1 . . . . 265 ASP N . 19056 1 1214 . 1 1 157 157 LYS H H 1 7.248 0.009 . 1 . . . . 266 LYS H . 19056 1 1215 . 1 1 157 157 LYS HA H 1 4.100 0.007 . 1 . . . . 266 LYS HA . 19056 1 1216 . 1 1 157 157 LYS HB2 H 1 1.477 0.014 . 2 . . . . 266 LYS HB2 . 19056 1 1217 . 1 1 157 157 LYS HG2 H 1 0.686 0.010 . 2 . . . . 266 LYS HG2 . 19056 1 1218 . 1 1 157 157 LYS HG3 H 1 0.536 0.010 . 2 . . . . 266 LYS HG3 . 19056 1 1219 . 1 1 157 157 LYS HD2 H 1 1.154 0.011 . 2 . . . . 266 LYS HD2 . 19056 1 1220 . 1 1 157 157 LYS HE2 H 1 2.603 0.006 . 2 . . . . 266 LYS HE2 . 19056 1 1221 . 1 1 157 157 LYS CA C 13 56.333 0.063 . 1 . . . . 266 LYS CA . 19056 1 1222 . 1 1 157 157 LYS CB C 13 32.744 0.079 . 1 . . . . 266 LYS CB . 19056 1 1223 . 1 1 157 157 LYS CG C 13 25.371 0.150 . 1 . . . . 266 LYS CG . 19056 1 1224 . 1 1 157 157 LYS CD C 13 28.910 0.150 . 1 . . . . 266 LYS CD . 19056 1 1225 . 1 1 157 157 LYS CE C 13 42.222 0.002 . 1 . . . . 266 LYS CE . 19056 1 1226 . 1 1 157 157 LYS N N 15 117.695 0.024 . 1 . . . . 266 LYS N . 19056 1 1227 . 1 1 158 158 PHE H H 1 7.591 0.005 . 1 . . . . 267 PHE H . 19056 1 1228 . 1 1 158 158 PHE HA H 1 4.674 0.007 . 1 . . . . 267 PHE HA . 19056 1 1229 . 1 1 158 158 PHE HB2 H 1 3.133 0.010 . 2 . . . . 267 PHE HB2 . 19056 1 1230 . 1 1 158 158 PHE HD1 H 1 6.834 0.013 . 3 . . . . 267 PHE HD1 . 19056 1 1231 . 1 1 158 158 PHE CA C 13 58.314 0.093 . 1 . . . . 267 PHE CA . 19056 1 1232 . 1 1 158 158 PHE CB C 13 40.614 0.059 . 1 . . . . 267 PHE CB . 19056 1 1233 . 1 1 158 158 PHE N N 15 118.705 0.032 . 1 . . . . 267 PHE N . 19056 1 1234 . 1 1 159 159 LYS H H 1 8.445 0.020 . 1 . . . . 268 LYS H . 19056 1 1235 . 1 1 159 159 LYS HA H 1 4.471 0.011 . 1 . . . . 268 LYS HA . 19056 1 1236 . 1 1 159 159 LYS HB2 H 1 1.872 0.012 . 2 . . . . 268 LYS HB2 . 19056 1 1237 . 1 1 159 159 LYS HB3 H 1 1.835 0.006 . 2 . . . . 268 LYS HB3 . 19056 1 1238 . 1 1 159 159 LYS HG2 H 1 1.493 0.017 . 2 . . . . 268 LYS HG2 . 19056 1 1239 . 1 1 159 159 LYS HD2 H 1 1.728 0.008 . 2 . . . . 268 LYS HD2 . 19056 1 1240 . 1 1 159 159 LYS HE2 H 1 3.017 0.009 . 2 . . . . 268 LYS HE2 . 19056 1 1241 . 1 1 159 159 LYS HE3 H 1 2.965 0.014 . 2 . . . . 268 LYS HE3 . 19056 1 1242 . 1 1 159 159 LYS CA C 13 56.862 0.041 . 1 . . . . 268 LYS CA . 19056 1 1243 . 1 1 159 159 LYS CB C 13 33.760 0.064 . 1 . . . . 268 LYS CB . 19056 1 1244 . 1 1 159 159 LYS CG C 13 25.166 0.150 . 1 . . . . 268 LYS CG . 19056 1 1245 . 1 1 159 159 LYS CD C 13 29.617 0.150 . 1 . . . . 268 LYS CD . 19056 1 1246 . 1 1 159 159 LYS CE C 13 42.581 0.150 . 1 . . . . 268 LYS CE . 19056 1 1247 . 1 1 159 159 LYS N N 15 122.517 0.065 . 1 . . . . 268 LYS N . 19056 1 1248 . 1 1 160 160 THR H H 1 8.466 0.014 . 1 . . . . 269 THR H . 19056 1 1249 . 1 1 160 160 THR HA H 1 4.991 0.010 . 1 . . . . 269 THR HA . 19056 1 1250 . 1 1 160 160 THR HB H 1 4.413 0.016 . 1 . . . . 269 THR HB . 19056 1 1251 . 1 1 160 160 THR HG21 H 1 1.227 0.010 . 1 . . . . 269 THR HG21 . 19056 1 1252 . 1 1 160 160 THR HG22 H 1 1.227 0.010 . 1 . . . . 269 THR HG21 . 19056 1 1253 . 1 1 160 160 THR HG23 H 1 1.227 0.010 . 1 . . . . 269 THR HG21 . 19056 1 1254 . 1 1 160 160 THR CA C 13 62.338 0.026 . 1 . . . . 269 THR CA . 19056 1 1255 . 1 1 160 160 THR CB C 13 70.387 0.172 . 1 . . . . 269 THR CB . 19056 1 1256 . 1 1 160 160 THR CG2 C 13 22.136 0.150 . 1 . . . . 269 THR CG2 . 19056 1 1257 . 1 1 160 160 THR N N 15 116.933 0.084 . 1 . . . . 269 THR N . 19056 1 1258 . 1 1 161 161 GLU H H 1 8.584 0.011 . 1 . . . . 270 GLU H . 19056 1 1259 . 1 1 161 161 GLU HA H 1 4.367 0.008 . 1 . . . . 270 GLU HA . 19056 1 1260 . 1 1 161 161 GLU HB2 H 1 2.147 0.008 . 2 . . . . 270 GLU HB2 . 19056 1 1261 . 1 1 161 161 GLU HB3 H 1 1.967 0.011 . 2 . . . . 270 GLU HB3 . 19056 1 1262 . 1 1 161 161 GLU HG2 H 1 2.313 0.009 . 2 . . . . 270 GLU HG2 . 19056 1 1263 . 1 1 161 161 GLU CA C 13 57.051 0.089 . 1 . . . . 270 GLU CA . 19056 1 1264 . 1 1 161 161 GLU CB C 13 30.928 0.022 . 1 . . . . 270 GLU CB . 19056 1 1265 . 1 1 161 161 GLU CG C 13 36.762 0.003 . 1 . . . . 270 GLU CG . 19056 1 1266 . 1 1 161 161 GLU N N 15 123.354 0.041 . 1 . . . . 270 GLU N . 19056 1 1267 . 1 1 162 162 GLU H H 1 8.378 0.004 . 1 . . . . 271 GLU H . 19056 1 1268 . 1 1 162 162 GLU HA H 1 4.343 0.007 . 1 . . . . 271 GLU HA . 19056 1 1269 . 1 1 162 162 GLU HB2 H 1 2.145 0.003 . 2 . . . . 271 GLU HB2 . 19056 1 1270 . 1 1 162 162 GLU HB3 H 1 1.919 0.004 . 2 . . . . 271 GLU HB3 . 19056 1 1271 . 1 1 162 162 GLU HG2 H 1 2.287 0.150 . 2 . . . . 271 GLU HG2 . 19056 1 1272 . 1 1 162 162 GLU CA C 13 56.942 0.165 . 1 . . . . 271 GLU CA . 19056 1 1273 . 1 1 162 162 GLU CB C 13 31.289 0.110 . 1 . . . . 271 GLU CB . 19056 1 1274 . 1 1 162 162 GLU CG C 13 36.780 0.150 . 1 . . . . 271 GLU CG . 19056 1 1275 . 1 1 162 162 GLU N N 15 121.961 0.029 . 1 . . . . 271 GLU N . 19056 1 1276 . 1 1 163 163 ASP H H 1 7.979 0.005 . 1 . . . . 272 ASP H . 19056 1 1277 . 1 1 163 163 ASP HA H 1 4.418 0.007 . 1 . . . . 272 ASP HA . 19056 1 1278 . 1 1 163 163 ASP HB2 H 1 2.598 0.012 . 2 . . . . 272 ASP HB2 . 19056 1 1279 . 1 1 163 163 ASP CA C 13 56.619 0.150 . 1 . . . . 272 ASP CA . 19056 1 1280 . 1 1 163 163 ASP CB C 13 42.831 0.150 . 1 . . . . 272 ASP CB . 19056 1 1281 . 1 1 163 163 ASP N N 15 127.140 0.039 . 1 . . . . 272 ASP N . 19056 1 stop_ save_