data_25003 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25003 _Entry.Title ; 1H, 13C and 15N backbone resonance assignments for the class A beta-lactamase BlaP from Bacillus licheniformis 749/C with proline-glycine inserted at position 216 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2014-06-06 _Entry.Accession_date 2014-06-06 _Entry.Last_release_date 2014-06-06 _Entry.Original_release_date 2014-06-06 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Jennifer Kay . . . . 25003 2 David Thorn . . . . 25003 3 Mireille Dumoulin . . . . 25003 4 Christian Damblon . . . . 25003 5 Alessandra Corazza . . . . 25003 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Enzymology and Protein Folding, Centre for Protein Engineering, ULg' . 25003 2 . 'Chimie biologique structurale, ULg' . 25003 3 . 'Dipartimento di Scienze Mediche e Biologiche, Universita degli Studi di Udine' . 25003 4 . 'Institute of Biophysical Chemistry, Centre for Biomolecular Magnetic Resonance, Goethe-University, Frankfurt' . 25003 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25003 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 765 25003 '15N chemical shifts' 255 25003 '1H chemical shifts' 253 25003 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2019-07-11 . original BMRB . 25003 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID EMBL BLAC_BACLI . 25003 PDB 1L2S . 25003 PDB 2BLM . 25003 PDB 3LY3 . 25003 PDB 3LY4 . 25003 PDB 3M2J . 25003 PDB 3M2K . 25003 PDB 4BLM . 25003 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 25003 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 29030803 _Citation.Full_citation . _Citation.Title ; 1H, 13C and 15N backbone resonance assignments of the beta-lactamase BlaP from Bacillus licheniformis 749/C and two mutational variants ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol NMR Assign' _Citation.Journal_name_full 'Biomolecular NMR assignments' _Citation.Journal_volume 12 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1874-270X _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 69 _Citation.Page_last 77 _Citation.Year 2018 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 David Thorn D. . . . 25003 1 2 Jennifer Kay J. . . . 25003 1 3 Noureddine Rhazi N. . . . 25003 1 4 Mireille Dumoulin M. . . . 25003 1 5 Alessandra Corazza A. . . . 25003 1 6 Christian Damblon C. . . . 25003 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'BlaP hybrid proteins' 25003 1 'Polyglutamine diseases' 25003 1 'Polyglutamine model proteins' 25003 1 'Protein aggregation' 25003 1 'Resonance assignment' 25003 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25003 _Assembly.ID 1 _Assembly.Name BlaP216Q0 _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _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 BlaP216Q0 1 $BlaP216Q0 A . yes native no no . . . 25003 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_BlaP216Q0 _Entity.Sf_category entity _Entity.Sf_framecode BlaP216Q0 _Entity.Entry_ID 25003 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name BlaP216Q0 _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 ; TEMKDDFAKLEEQFDAKLGI FALDTGTNRTVAYRPDERFA FASTIKALTVGVLLQQKSIE DLNQRITYTRDDLVNYNPIT EKHVDTGMTLKELADASLRY SDNAAQNLILKQIGGPESLK KELRKIGDEVTNPERFEPEL NEVNPGETQDTSTARALVTS LRAFALEDKLPSEKRELLID WMKRNTTPGGDALIRAGVPD GWEVADKTGAASYGTRNDIA IIWPPKGDPVVLAVLSSRDK KDAKYDDKLIAEATKVVMKA LNMNGKGPHHHHH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq ; The sequence above is the FASTA sequence. The insertion of the dipeptide 'Proline-Glycine' at position 216 is named according to the numbering scheme of class A beta-lactamases (Ambler, R.P., et al., A standard numbering scheme for the class A beta-lactamases. Biochem J, 1991. 276, 269-70). Position 216-217 (class A beta-lactamase numbering scheme) corresponds to position 187-188 in the FASTA sequence. ; _Entity.Polymer_author_seq_details 'Residues 267-273 (FASTA sequence) represent a non-native tag' _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 273 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation ; Addition of a dipeptide (Proline-Glycine) at position 216-217 [numbering scheme of class A beta-lactamses, (Ambler, R.P., et al., A standard numbering scheme for the class A beta-lactamases. Biochem J, 1991. 276, 269-70)]. This position corresponds to position 187-188 in the FASTA sequence. This dipeptide originates from the addition of a Sma1 restriction site in the gene of BlaP in order to allow the insertion of heterologous sequences (such as polyCAG coding for a polyglutamine sequence) at position 216-217. ; _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 30368.3 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details ; This work is part of a project aiming at investigating the effects of the insertion of a polyglutamine sequence of different lenghts at two positions of BlaP (i.e. positions 197-198 and 216-217) on the structure, the stability, the dynamics and the aggregation of BlaP. The study of these polyQ model proteins should allow to better understand how expanded polyQ sequences induce the aggregation of proteins into amyloid fibrils, a phenomenon that is associated with 9 neurodegenrative diseases including Hungtinton's disease (Scarafone, N., et al., Amyloid-like fibril formation by polyQ proteins: a critical balance between the polyQ length and the constraints imposed by the host protein. PLoS ONE, 2012. 7(3): p. e31253). ; _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 . THR . 25003 1 2 . GLU . 25003 1 3 . MET . 25003 1 4 . LYS . 25003 1 5 . ASP . 25003 1 6 . ASP . 25003 1 7 . PHE . 25003 1 8 . ALA . 25003 1 9 . LYS . 25003 1 10 . LEU . 25003 1 11 . GLU . 25003 1 12 . GLU . 25003 1 13 . GLN . 25003 1 14 . PHE . 25003 1 15 . ASP . 25003 1 16 . ALA . 25003 1 17 . LYS . 25003 1 18 . LEU . 25003 1 19 . GLY . 25003 1 20 . ILE . 25003 1 21 . PHE . 25003 1 22 . ALA . 25003 1 23 . LEU . 25003 1 24 . ASP . 25003 1 25 . THR . 25003 1 26 . GLY . 25003 1 27 . THR . 25003 1 28 . ASN . 25003 1 29 . ARG . 25003 1 30 . THR . 25003 1 31 . VAL . 25003 1 32 . ALA . 25003 1 33 . TYR . 25003 1 34 . ARG . 25003 1 35 . PRO . 25003 1 36 . ASP . 25003 1 37 . GLU . 25003 1 38 . ARG . 25003 1 39 . PHE . 25003 1 40 . ALA . 25003 1 41 . PHE . 25003 1 42 . ALA . 25003 1 43 . SER . 25003 1 44 . THR . 25003 1 45 . ILE . 25003 1 46 . LYS . 25003 1 47 . ALA . 25003 1 48 . LEU . 25003 1 49 . THR . 25003 1 50 . VAL . 25003 1 51 . GLY . 25003 1 52 . VAL . 25003 1 53 . LEU . 25003 1 54 . LEU . 25003 1 55 . GLN . 25003 1 56 . GLN . 25003 1 57 . LYS . 25003 1 58 . SER . 25003 1 59 . ILE . 25003 1 60 . GLU . 25003 1 61 . ASP . 25003 1 62 . LEU . 25003 1 63 . ASN . 25003 1 64 . GLN . 25003 1 65 . ARG . 25003 1 66 . ILE . 25003 1 67 . THR . 25003 1 68 . TYR . 25003 1 69 . THR . 25003 1 70 . ARG . 25003 1 71 . ASP . 25003 1 72 . ASP . 25003 1 73 . LEU . 25003 1 74 . VAL . 25003 1 75 . ASN . 25003 1 76 . TYR . 25003 1 77 . ASN . 25003 1 78 . PRO . 25003 1 79 . ILE . 25003 1 80 . THR . 25003 1 81 . GLU . 25003 1 82 . LYS . 25003 1 83 . HIS . 25003 1 84 . VAL . 25003 1 85 . ASP . 25003 1 86 . THR . 25003 1 87 . GLY . 25003 1 88 . MET . 25003 1 89 . THR . 25003 1 90 . LEU . 25003 1 91 . LYS . 25003 1 92 . GLU . 25003 1 93 . LEU . 25003 1 94 . ALA . 25003 1 95 . ASP . 25003 1 96 . ALA . 25003 1 97 . SER . 25003 1 98 . LEU . 25003 1 99 . ARG . 25003 1 100 . TYR . 25003 1 101 . SER . 25003 1 102 . ASP . 25003 1 103 . ASN . 25003 1 104 . ALA . 25003 1 105 . ALA . 25003 1 106 . GLN . 25003 1 107 . ASN . 25003 1 108 . LEU . 25003 1 109 . ILE . 25003 1 110 . LEU . 25003 1 111 . LYS . 25003 1 112 . GLN . 25003 1 113 . ILE . 25003 1 114 . GLY . 25003 1 115 . GLY . 25003 1 116 . PRO . 25003 1 117 . GLU . 25003 1 118 . SER . 25003 1 119 . LEU . 25003 1 120 . LYS . 25003 1 121 . LYS . 25003 1 122 . GLU . 25003 1 123 . LEU . 25003 1 124 . ARG . 25003 1 125 . LYS . 25003 1 126 . ILE . 25003 1 127 . GLY . 25003 1 128 . ASP . 25003 1 129 . GLU . 25003 1 130 . VAL . 25003 1 131 . THR . 25003 1 132 . ASN . 25003 1 133 . PRO . 25003 1 134 . GLU . 25003 1 135 . ARG . 25003 1 136 . PHE . 25003 1 137 . GLU . 25003 1 138 . PRO . 25003 1 139 . GLU . 25003 1 140 . LEU . 25003 1 141 . ASN . 25003 1 142 . GLU . 25003 1 143 . VAL . 25003 1 144 . ASN . 25003 1 145 . PRO . 25003 1 146 . GLY . 25003 1 147 . GLU . 25003 1 148 . THR . 25003 1 149 . GLN . 25003 1 150 . ASP . 25003 1 151 . THR . 25003 1 152 . SER . 25003 1 153 . THR . 25003 1 154 . ALA . 25003 1 155 . ARG . 25003 1 156 . ALA . 25003 1 157 . LEU . 25003 1 158 . VAL . 25003 1 159 . THR . 25003 1 160 . SER . 25003 1 161 . LEU . 25003 1 162 . ARG . 25003 1 163 . ALA . 25003 1 164 . PHE . 25003 1 165 . ALA . 25003 1 166 . LEU . 25003 1 167 . GLU . 25003 1 168 . ASP . 25003 1 169 . LYS . 25003 1 170 . LEU . 25003 1 171 . PRO . 25003 1 172 . SER . 25003 1 173 . GLU . 25003 1 174 . LYS . 25003 1 175 . ARG . 25003 1 176 . GLU . 25003 1 177 . LEU . 25003 1 178 . LEU . 25003 1 179 . ILE . 25003 1 180 . ASP . 25003 1 181 . TRP . 25003 1 182 . MET . 25003 1 183 . LYS . 25003 1 184 . ARG . 25003 1 185 . ASN . 25003 1 186 . THR . 25003 1 187 . THR . 25003 1 188 . PRO . 25003 1 189 . GLY . 25003 1 190 . GLY . 25003 1 191 . ASP . 25003 1 192 . ALA . 25003 1 193 . LEU . 25003 1 194 . ILE . 25003 1 195 . ARG . 25003 1 196 . ALA . 25003 1 197 . GLY . 25003 1 198 . VAL . 25003 1 199 . PRO . 25003 1 200 . ASP . 25003 1 201 . GLY . 25003 1 202 . TRP . 25003 1 203 . GLU . 25003 1 204 . VAL . 25003 1 205 . ALA . 25003 1 206 . ASP . 25003 1 207 . LYS . 25003 1 208 . THR . 25003 1 209 . GLY . 25003 1 210 . ALA . 25003 1 211 . ALA . 25003 1 212 . SER . 25003 1 213 . TYR . 25003 1 214 . GLY . 25003 1 215 . THR . 25003 1 216 . ARG . 25003 1 217 . ASN . 25003 1 218 . ASP . 25003 1 219 . ILE . 25003 1 220 . ALA . 25003 1 221 . ILE . 25003 1 222 . ILE . 25003 1 223 . TRP . 25003 1 224 . PRO . 25003 1 225 . PRO . 25003 1 226 . LYS . 25003 1 227 . GLY . 25003 1 228 . ASP . 25003 1 229 . PRO . 25003 1 230 . VAL . 25003 1 231 . VAL . 25003 1 232 . LEU . 25003 1 233 . ALA . 25003 1 234 . VAL . 25003 1 235 . LEU . 25003 1 236 . SER . 25003 1 237 . SER . 25003 1 238 . ARG . 25003 1 239 . ASP . 25003 1 240 . LYS . 25003 1 241 . LYS . 25003 1 242 . ASP . 25003 1 243 . ALA . 25003 1 244 . LYS . 25003 1 245 . TYR . 25003 1 246 . ASP . 25003 1 247 . ASP . 25003 1 248 . LYS . 25003 1 249 . LEU . 25003 1 250 . ILE . 25003 1 251 . ALA . 25003 1 252 . GLU . 25003 1 253 . ALA . 25003 1 254 . THR . 25003 1 255 . LYS . 25003 1 256 . VAL . 25003 1 257 . VAL . 25003 1 258 . MET . 25003 1 259 . LYS . 25003 1 260 . ALA . 25003 1 261 . LEU . 25003 1 262 . ASN . 25003 1 263 . MET . 25003 1 264 . ASN . 25003 1 265 . GLY . 25003 1 266 . LYS . 25003 1 267 . GLY . 25003 1 268 . PRO . 25003 1 269 . HIS . 25003 1 270 . HIS . 25003 1 271 . HIS . 25003 1 272 . HIS . 25003 1 273 . HIS . 25003 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 . THR 1 1 25003 1 . GLU 2 2 25003 1 . MET 3 3 25003 1 . LYS 4 4 25003 1 . ASP 5 5 25003 1 . ASP 6 6 25003 1 . PHE 7 7 25003 1 . ALA 8 8 25003 1 . LYS 9 9 25003 1 . LEU 10 10 25003 1 . GLU 11 11 25003 1 . GLU 12 12 25003 1 . GLN 13 13 25003 1 . PHE 14 14 25003 1 . ASP 15 15 25003 1 . ALA 16 16 25003 1 . LYS 17 17 25003 1 . LEU 18 18 25003 1 . GLY 19 19 25003 1 . ILE 20 20 25003 1 . PHE 21 21 25003 1 . ALA 22 22 25003 1 . LEU 23 23 25003 1 . ASP 24 24 25003 1 . THR 25 25 25003 1 . GLY 26 26 25003 1 . THR 27 27 25003 1 . ASN 28 28 25003 1 . ARG 29 29 25003 1 . THR 30 30 25003 1 . VAL 31 31 25003 1 . ALA 32 32 25003 1 . TYR 33 33 25003 1 . ARG 34 34 25003 1 . PRO 35 35 25003 1 . ASP 36 36 25003 1 . GLU 37 37 25003 1 . ARG 38 38 25003 1 . PHE 39 39 25003 1 . ALA 40 40 25003 1 . PHE 41 41 25003 1 . ALA 42 42 25003 1 . SER 43 43 25003 1 . THR 44 44 25003 1 . ILE 45 45 25003 1 . LYS 46 46 25003 1 . ALA 47 47 25003 1 . LEU 48 48 25003 1 . THR 49 49 25003 1 . VAL 50 50 25003 1 . GLY 51 51 25003 1 . VAL 52 52 25003 1 . LEU 53 53 25003 1 . LEU 54 54 25003 1 . GLN 55 55 25003 1 . GLN 56 56 25003 1 . LYS 57 57 25003 1 . SER 58 58 25003 1 . ILE 59 59 25003 1 . GLU 60 60 25003 1 . ASP 61 61 25003 1 . LEU 62 62 25003 1 . ASN 63 63 25003 1 . GLN 64 64 25003 1 . ARG 65 65 25003 1 . ILE 66 66 25003 1 . THR 67 67 25003 1 . TYR 68 68 25003 1 . THR 69 69 25003 1 . ARG 70 70 25003 1 . ASP 71 71 25003 1 . ASP 72 72 25003 1 . LEU 73 73 25003 1 . VAL 74 74 25003 1 . ASN 75 75 25003 1 . TYR 76 76 25003 1 . ASN 77 77 25003 1 . PRO 78 78 25003 1 . ILE 79 79 25003 1 . THR 80 80 25003 1 . GLU 81 81 25003 1 . LYS 82 82 25003 1 . HIS 83 83 25003 1 . VAL 84 84 25003 1 . ASP 85 85 25003 1 . THR 86 86 25003 1 . GLY 87 87 25003 1 . MET 88 88 25003 1 . THR 89 89 25003 1 . LEU 90 90 25003 1 . LYS 91 91 25003 1 . GLU 92 92 25003 1 . LEU 93 93 25003 1 . ALA 94 94 25003 1 . ASP 95 95 25003 1 . ALA 96 96 25003 1 . SER 97 97 25003 1 . LEU 98 98 25003 1 . ARG 99 99 25003 1 . TYR 100 100 25003 1 . SER 101 101 25003 1 . ASP 102 102 25003 1 . ASN 103 103 25003 1 . ALA 104 104 25003 1 . ALA 105 105 25003 1 . GLN 106 106 25003 1 . ASN 107 107 25003 1 . LEU 108 108 25003 1 . ILE 109 109 25003 1 . LEU 110 110 25003 1 . LYS 111 111 25003 1 . GLN 112 112 25003 1 . ILE 113 113 25003 1 . GLY 114 114 25003 1 . GLY 115 115 25003 1 . PRO 116 116 25003 1 . GLU 117 117 25003 1 . SER 118 118 25003 1 . LEU 119 119 25003 1 . LYS 120 120 25003 1 . LYS 121 121 25003 1 . GLU 122 122 25003 1 . LEU 123 123 25003 1 . ARG 124 124 25003 1 . LYS 125 125 25003 1 . ILE 126 126 25003 1 . GLY 127 127 25003 1 . ASP 128 128 25003 1 . GLU 129 129 25003 1 . VAL 130 130 25003 1 . THR 131 131 25003 1 . ASN 132 132 25003 1 . PRO 133 133 25003 1 . GLU 134 134 25003 1 . ARG 135 135 25003 1 . PHE 136 136 25003 1 . GLU 137 137 25003 1 . PRO 138 138 25003 1 . GLU 139 139 25003 1 . LEU 140 140 25003 1 . ASN 141 141 25003 1 . GLU 142 142 25003 1 . VAL 143 143 25003 1 . ASN 144 144 25003 1 . PRO 145 145 25003 1 . GLY 146 146 25003 1 . GLU 147 147 25003 1 . THR 148 148 25003 1 . GLN 149 149 25003 1 . ASP 150 150 25003 1 . THR 151 151 25003 1 . SER 152 152 25003 1 . THR 153 153 25003 1 . ALA 154 154 25003 1 . ARG 155 155 25003 1 . ALA 156 156 25003 1 . LEU 157 157 25003 1 . VAL 158 158 25003 1 . THR 159 159 25003 1 . SER 160 160 25003 1 . LEU 161 161 25003 1 . ARG 162 162 25003 1 . ALA 163 163 25003 1 . PHE 164 164 25003 1 . ALA 165 165 25003 1 . LEU 166 166 25003 1 . GLU 167 167 25003 1 . ASP 168 168 25003 1 . LYS 169 169 25003 1 . LEU 170 170 25003 1 . PRO 171 171 25003 1 . SER 172 172 25003 1 . GLU 173 173 25003 1 . LYS 174 174 25003 1 . ARG 175 175 25003 1 . GLU 176 176 25003 1 . LEU 177 177 25003 1 . LEU 178 178 25003 1 . ILE 179 179 25003 1 . ASP 180 180 25003 1 . TRP 181 181 25003 1 . MET 182 182 25003 1 . LYS 183 183 25003 1 . ARG 184 184 25003 1 . ASN 185 185 25003 1 . THR 186 186 25003 1 . THR 187 187 25003 1 . PRO 188 188 25003 1 . GLY 189 189 25003 1 . GLY 190 190 25003 1 . ASP 191 191 25003 1 . ALA 192 192 25003 1 . LEU 193 193 25003 1 . ILE 194 194 25003 1 . ARG 195 195 25003 1 . ALA 196 196 25003 1 . GLY 197 197 25003 1 . VAL 198 198 25003 1 . PRO 199 199 25003 1 . ASP 200 200 25003 1 . GLY 201 201 25003 1 . TRP 202 202 25003 1 . GLU 203 203 25003 1 . VAL 204 204 25003 1 . ALA 205 205 25003 1 . ASP 206 206 25003 1 . LYS 207 207 25003 1 . THR 208 208 25003 1 . GLY 209 209 25003 1 . ALA 210 210 25003 1 . ALA 211 211 25003 1 . SER 212 212 25003 1 . TYR 213 213 25003 1 . GLY 214 214 25003 1 . THR 215 215 25003 1 . ARG 216 216 25003 1 . ASN 217 217 25003 1 . ASP 218 218 25003 1 . ILE 219 219 25003 1 . ALA 220 220 25003 1 . ILE 221 221 25003 1 . ILE 222 222 25003 1 . TRP 223 223 25003 1 . PRO 224 224 25003 1 . PRO 225 225 25003 1 . LYS 226 226 25003 1 . GLY 227 227 25003 1 . ASP 228 228 25003 1 . PRO 229 229 25003 1 . VAL 230 230 25003 1 . VAL 231 231 25003 1 . LEU 232 232 25003 1 . ALA 233 233 25003 1 . VAL 234 234 25003 1 . LEU 235 235 25003 1 . SER 236 236 25003 1 . SER 237 237 25003 1 . ARG 238 238 25003 1 . ASP 239 239 25003 1 . LYS 240 240 25003 1 . LYS 241 241 25003 1 . ASP 242 242 25003 1 . ALA 243 243 25003 1 . LYS 244 244 25003 1 . TYR 245 245 25003 1 . ASP 246 246 25003 1 . ASP 247 247 25003 1 . LYS 248 248 25003 1 . LEU 249 249 25003 1 . ILE 250 250 25003 1 . ALA 251 251 25003 1 . GLU 252 252 25003 1 . ALA 253 253 25003 1 . THR 254 254 25003 1 . LYS 255 255 25003 1 . VAL 256 256 25003 1 . VAL 257 257 25003 1 . MET 258 258 25003 1 . LYS 259 259 25003 1 . ALA 260 260 25003 1 . LEU 261 261 25003 1 . ASN 262 262 25003 1 . MET 263 263 25003 1 . ASN 264 264 25003 1 . GLY 265 265 25003 1 . LYS 266 266 25003 1 . GLY 267 267 25003 1 . PRO 268 268 25003 1 . HIS 269 269 25003 1 . HIS 270 270 25003 1 . HIS 271 271 25003 1 . HIS 272 272 25003 1 . HIS 273 273 25003 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 25003 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $BlaP216Q0 . 1402 organism . 'Bacillus licheniformis' firmicutes . . Bacteria . Bacillus licheniformis . . . . . . . . . . . . . 25003 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 25003 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $BlaP216Q0 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . . . . pET28b . . . 25003 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25003 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 BlaP216Q0 '[U-100% 13C; U-100% 15N]' . . 1 $BlaP216Q0 . . 0.6 . . mM . . . . 25003 1 2 'Sodium Phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 25003 1 3 NaCl 'natural abundance' . . . . . . 50 . . mM . . . . 25003 1 4 H2O 'natural abundance' . . . . . . 95 . . % . . . . 25003 1 5 D2O 'natural abundance' . . . . . . 5 . . % . . . . 25003 1 stop_ save_ ####################### # Sample conditions # ####################### save_Standard _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode Standard _Sample_condition_list.Entry_ID 25003 _Sample_condition_list.ID 1 _Sample_condition_list.Details '20 mM sodium phosphate, 50 mM NaCl, pH 6.5' 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' 0.063 . M 25003 1 pH 6.5 . pH 25003 1 pressure 1 . atm 25003 1 temperature 308 . K 25003 1 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 25003 _Software.ID 1 _Software.Type . _Software.Name SPARKY _Software.Version 3.113 _Software.DOI . _Software.Details ; T. D. Goddard and D. G. Kneller, SPARKY 3, University of California, San Francisco ; loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 25003 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 25003 1 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 25003 _Software.ID 2 _Software.Type . _Software.Name TOPSPIN _Software.Version 2.1 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 25003 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 25003 2 processing 25003 2 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 25003 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details ; This spectrometer belongs to the Institute of Biophysical Chemistry Centre for Biomolecular Magnetic Resonance Goethe-University Max-von-Laue-Str. 9, Biocentre, N230 1.OG D-60438 Frankfurt am Main, Germany ; _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 25003 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details ; This spectrometer belongs to the Institute of Biophysical Chemistry Centre for Biomolecular Magnetic Resonance Goethe-University Max-von-Laue-Str. 9, Biocentre, N230 1.OG D-60438 Frankfurt am Main, Germany ; _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 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 25003 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 900 ; This spectrometer belongs to the Institute of Biophysical Chemistry Centre for Biomolecular Magnetic Resonance Goethe-University Max-von-Laue-Str. 9, Biocentre, N230 1.OG D-60438 Frankfurt am Main, Germany ; . . 25003 1 2 spectrometer_2 Bruker Avance . 500 ; This spectrometer belongs to the Institute of Biophysical Chemistry Centre for Biomolecular Magnetic Resonance Goethe-University Max-von-Laue-Str. 9, Biocentre, N230 1.OG D-60438 Frankfurt am Main, Germany ; . . 25003 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 25003 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $Standard . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25003 1 2 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $Standard . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25003 1 3 '2D 1H-15N HSQC/HMQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $Standard . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25003 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $Standard . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25003 1 5 'HNcoCACB (H[N[co[{CA /ca[C]}]]])' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $Standard . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25003 1 6 HNCO(H[trho(N)][CO]]) no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $Standard . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25003 1 7 HNcaCO(H[N[ca[CO]]]) no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $Standard . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25003 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 25003 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 25003 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 25003 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 25003 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 25003 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Standard _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D HNCA' . . . 25003 1 2 '3D HN(CO)CA' . . . 25003 1 3 '2D 1H-15N HSQC/HMQC' . . . 25003 1 4 '3D HNCACB' . . . 25003 1 5 'HNcoCACB (H[N[co[{CA /ca[C]}]]])' . . . 25003 1 6 HNCO(H[trho(N)][CO]]) . . . 25003 1 7 HNcaCO(H[N[ca[CO]]]) . . . 25003 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 2 $TOPSPIN . . 25003 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 GLU C C 13 176.5334 0 1 . . . . . . 2 E C . 25003 1 2 . 1 1 2 2 GLU CB C 13 30.7389 0.003 2 . . . . . . 2 E CB . 25003 1 3 . 1 1 3 3 MET H H 1 8.6931 0.005 9 . . . . . . 3 M HN . 25003 1 4 . 1 1 3 3 MET C C 13 176.5104 0 1 . . . . . . 3 M C . 25003 1 5 . 1 1 3 3 MET CA C 13 56.6109 0.134 7 . . . . . . 3 M CA . 25003 1 6 . 1 1 3 3 MET CB C 13 31.7859 0.007 3 . . . . . . 3 M CB . 25003 1 7 . 1 1 3 3 MET N N 15 122.554 0.07 9 . . . . . . 3 M N . 25003 1 8 . 1 1 4 4 LYS H H 1 8.2391 0.008 11 . . . . . . 4 K HN . 25003 1 9 . 1 1 4 4 LYS C C 13 177.3114 0.009 2 . . . . . . 4 K C . 25003 1 10 . 1 1 4 4 LYS CA C 13 59.1989 0.087 5 . . . . . . 4 K CA . 25003 1 11 . 1 1 4 4 LYS CB C 13 32.6959 0.018 3 . . . . . . 4 K CB . 25003 1 12 . 1 1 4 4 LYS N N 15 119.973 0.019 11 . . . . . . 4 K N . 25003 1 13 . 1 1 5 5 ASP H H 1 8.0191 0.008 10 . . . . . . 5 D HN . 25003 1 14 . 1 1 5 5 ASP C C 13 174.6134 0 1 . . . . . . 5 D C . 25003 1 15 . 1 1 5 5 ASP CA C 13 56.2969 0.025 6 . . . . . . 5 D CA . 25003 1 16 . 1 1 5 5 ASP CB C 13 40.7929 0.016 2 . . . . . . 5 D CB . 25003 1 17 . 1 1 5 5 ASP N N 15 119.503 0.031 10 . . . . . . 5 D N . 25003 1 18 . 1 1 6 6 ASP H H 1 7.8101 0.011 11 . . . . . . 6 D HN . 25003 1 19 . 1 1 6 6 ASP C C 13 179.3844 0.007 2 . . . . . . 6 D C . 25003 1 20 . 1 1 6 6 ASP CA C 13 57.1879 0.01 6 . . . . . . 6 D CA . 25003 1 21 . 1 1 6 6 ASP CB C 13 40.9949 0.018 3 . . . . . . 6 D CB . 25003 1 22 . 1 1 6 6 ASP N N 15 120.895 0.049 11 . . . . . . 6 D N . 25003 1 23 . 1 1 7 7 PHE H H 1 7.6151 0.004 13 . . . . . . 7 F HN . 25003 1 24 . 1 1 7 7 PHE C C 13 177.6864 0.032 3 . . . . . . 7 F C . 25003 1 25 . 1 1 7 7 PHE CA C 13 60.8899 0.011 6 . . . . . . 7 F CA . 25003 1 26 . 1 1 7 7 PHE CB C 13 36.0009 0.01 3 . . . . . . 7 F CB . 25003 1 27 . 1 1 7 7 PHE N N 15 118.66 0.019 13 . . . . . . 7 F N . 25003 1 28 . 1 1 8 8 ALA H H 1 8.1401 0.004 13 . . . . . . 8 A HN . 25003 1 29 . 1 1 8 8 ALA C C 13 181.2444 0.024 3 . . . . . . 8 A C . 25003 1 30 . 1 1 8 8 ALA CA C 13 55.3559 0.012 6 . . . . . . 8 A CA . 25003 1 31 . 1 1 8 8 ALA CB C 13 18.0189 0.012 3 . . . . . . 8 A CB . 25003 1 32 . 1 1 8 8 ALA N N 15 123.351 0.018 13 . . . . . . 8 A N . 25003 1 33 . 1 1 9 9 LYS H H 1 7.9361 0.003 12 . . . . . . 9 K HN . 25003 1 34 . 1 1 9 9 LYS C C 13 179.6214 0 2 . . . . . . 9 K C . 25003 1 35 . 1 1 9 9 LYS CA C 13 59.0389 0.009 6 . . . . . . 9 K CA . 25003 1 36 . 1 1 9 9 LYS CB C 13 31.8859 0.003 3 . . . . . . 9 K CB . 25003 1 37 . 1 1 9 9 LYS N N 15 118.699 0.017 12 . . . . . . 9 K N . 25003 1 38 . 1 1 10 10 LEU H H 1 7.4021 0.005 13 . . . . . . 10 L HN . 25003 1 39 . 1 1 10 10 LEU C C 13 179.2744 0.014 3 . . . . . . 10 L C . 25003 1 40 . 1 1 10 10 LEU CA C 13 58.0779 0.008 6 . . . . . . 10 L CA . 25003 1 41 . 1 1 10 10 LEU CB C 13 41.8689 0.002 3 . . . . . . 10 L CB . 25003 1 42 . 1 1 10 10 LEU N N 15 120.624 0.016 13 . . . . . . 10 L N . 25003 1 43 . 1 1 11 11 GLU H H 1 8.0601 0.004 11 . . . . . . 11 E HN . 25003 1 44 . 1 1 11 11 GLU C C 13 179.6364 0.021 3 . . . . . . 11 E C . 25003 1 45 . 1 1 11 11 GLU CA C 13 60.8479 0.009 4 . . . . . . 11 E CA . 25003 1 46 . 1 1 11 11 GLU CB C 13 30.0359 0.009 2 . . . . . . 11 E CB . 25003 1 47 . 1 1 11 11 GLU N N 15 119.161 0.018 11 . . . . . . 11 E N . 25003 1 48 . 1 1 12 12 GLU H H 1 7.8041 0.003 11 . . . . . . 12 E HN . 25003 1 49 . 1 1 12 12 GLU C C 13 179.6114 0.006 2 . . . . . . 12 E C . 25003 1 50 . 1 1 12 12 GLU CA C 13 59.0039 0.004 4 . . . . . . 12 E CA . 25003 1 51 . 1 1 12 12 GLU CB C 13 30.0189 0.033 3 . . . . . . 12 E CB . 25003 1 52 . 1 1 12 12 GLU N N 15 117.974 0.02 11 . . . . . . 12 E N . 25003 1 53 . 1 1 13 13 GLN H H 1 8.5921 0.006 10 . . . . . . 13 Q HN . 25003 1 54 . 1 1 13 13 GLN C C 13 177.8634 0.005 2 . . . . . . 13 Q C . 25003 1 55 . 1 1 13 13 GLN CA C 13 58.8279 0.02 4 . . . . . . 13 Q CA . 25003 1 56 . 1 1 13 13 GLN CB C 13 28.9469 0.013 3 . . . . . . 13 Q CB . 25003 1 57 . 1 1 13 13 GLN N N 15 120.51 0.021 10 . . . . . . 13 Q N . 25003 1 58 . 1 1 14 14 PHE H H 1 8.2531 0.004 10 . . . . . . 14 F HN . 25003 1 59 . 1 1 14 14 PHE C C 13 174.1024 0.015 2 . . . . . . 14 F C . 25003 1 60 . 1 1 14 14 PHE CA C 13 53.1929 0 0 . . . . . . 14 F CA . 25003 1 61 . 1 1 14 14 PHE CB C 13 39.1139 0.003 2 . . . . . . 14 F CB . 25003 1 62 . 1 1 14 14 PHE N N 15 113.911 0.01 10 . . . . . . 14 F N . 25003 1 63 . 1 1 15 15 ASP H H 1 7.8141 0.004 11 . . . . . . 15 D HN . 25003 1 64 . 1 1 15 15 ASP C C 13 175.1414 0.002 2 . . . . . . 15 D C . 25003 1 65 . 1 1 15 15 ASP CA C 13 54.7439 0.012 5 . . . . . . 15 D CA . 25003 1 66 . 1 1 15 15 ASP CB C 13 39.2109 0.007 3 . . . . . . 15 D CB . 25003 1 67 . 1 1 15 15 ASP N N 15 123.236 0.015 11 . . . . . . 15 D N . 25003 1 68 . 1 1 16 16 ALA H H 1 8.6991 0.003 11 . . . . . . 16 A HN . 25003 1 69 . 1 1 16 16 ALA C C 13 174.6794 0.001 2 . . . . . . 16 A C . 25003 1 70 . 1 1 16 16 ALA CA C 13 50.8929 0.011 6 . . . . . . 16 A CA . 25003 1 71 . 1 1 16 16 ALA CB C 13 24.3949 0.011 3 . . . . . . 16 A CB . 25003 1 72 . 1 1 16 16 ALA N N 15 122.97 0.017 11 . . . . . . 16 A N . 25003 1 73 . 1 1 17 17 LYS H H 1 9.0771 0.003 13 . . . . . . 17 K HN . 25003 1 74 . 1 1 17 17 LYS C C 13 175.4394 0.025 3 . . . . . . 17 K C . 25003 1 75 . 1 1 17 17 LYS CA C 13 54.7289 0.013 6 . . . . . . 17 K CA . 25003 1 76 . 1 1 17 17 LYS CB C 13 34.9819 0.003 3 . . . . . . 17 K CB . 25003 1 77 . 1 1 17 17 LYS N N 15 121.336 0.022 13 . . . . . . 17 K N . 25003 1 78 . 1 1 18 18 LEU H H 1 9.9261 0.002 12 . . . . . . 18 L HN . 25003 1 79 . 1 1 18 18 LEU C C 13 174.7674 0.019 2 . . . . . . 18 L C . 25003 1 80 . 1 1 18 18 LEU CA C 13 53.3689 0.017 6 . . . . . . 18 L CA . 25003 1 81 . 1 1 18 18 LEU CB C 13 48.3939 0.005 3 . . . . . . 18 L CB . 25003 1 82 . 1 1 18 18 LEU N N 15 126.817 0.01 12 . . . . . . 18 L N . 25003 1 83 . 1 1 19 19 GLY H H 1 8.4491 0.005 11 . . . . . . 19 G HN . 25003 1 84 . 1 1 19 19 GLY C C 13 172.4244 0.02 2 . . . . . . 19 G C . 25003 1 85 . 1 1 19 19 GLY CA C 13 45.2259 0.015 6 . . . . . . 19 G CA . 25003 1 86 . 1 1 19 19 GLY N N 15 108.114 0.01 11 . . . . . . 19 G N . 25003 1 87 . 1 1 20 20 ILE H H 1 9.4061 0.004 11 . . . . . . 20 I HN . 25003 1 88 . 1 1 20 20 ILE C C 13 176.2334 0.017 3 . . . . . . 20 I C . 25003 1 89 . 1 1 20 20 ILE CA C 13 58.1559 0.009 6 . . . . . . 20 I CA . 25003 1 90 . 1 1 20 20 ILE CB C 13 41.5089 0.021 3 . . . . . . 20 I CB . 25003 1 91 . 1 1 20 20 ILE N N 15 123.001 0.017 11 . . . . . . 20 I N . 25003 1 92 . 1 1 21 21 PHE H H 1 8.1041 0.003 11 . . . . . . 21 F HN . 25003 1 93 . 1 1 21 21 PHE C C 13 171.9984 0.008 2 . . . . . . 21 F C . 25003 1 94 . 1 1 21 21 PHE CA C 13 59.2139 0.007 6 . . . . . . 21 F CA . 25003 1 95 . 1 1 21 21 PHE CB C 13 41.5889 0.002 2 . . . . . . 21 F CB . 25003 1 96 . 1 1 21 21 PHE N N 15 125.709 0.01 11 . . . . . . 21 F N . 25003 1 97 . 1 1 22 22 ALA H H 1 8.2691 0.003 13 . . . . . . 22 A HN . 25003 1 98 . 1 1 22 22 ALA C C 13 173.9964 0.01 4 . . . . . . 22 A C . 25003 1 99 . 1 1 22 22 ALA CA C 13 49.3629 0.008 6 . . . . . . 22 A CA . 25003 1 100 . 1 1 22 22 ALA CB C 13 24.7199 0.004 3 . . . . . . 22 A CB . 25003 1 101 . 1 1 22 22 ALA N N 15 129.54 0.019 13 . . . . . . 22 A N . 25003 1 102 . 1 1 23 23 LEU H H 1 8.8381 0.003 13 . . . . . . 23 L HN . 25003 1 103 . 1 1 23 23 LEU C C 13 174.8614 0.035 2 . . . . . . 23 L C . 25003 1 104 . 1 1 23 23 LEU CA C 13 53.2019 0.008 6 . . . . . . 23 L CA . 25003 1 105 . 1 1 23 23 LEU CB C 13 46.6819 0.002 4 . . . . . . 23 L CB . 25003 1 106 . 1 1 23 23 LEU N N 15 121.881 0.01 13 . . . . . . 23 L N . 25003 1 107 . 1 1 24 24 ASP H H 1 8.6961 0.004 12 . . . . . . 24 D HN . 25003 1 108 . 1 1 24 24 ASP C C 13 177.2324 0.006 3 . . . . . . 24 D C . 25003 1 109 . 1 1 24 24 ASP CA C 13 53.1769 0.019 4 . . . . . . 24 D CA . 25003 1 110 . 1 1 24 24 ASP CB C 13 41.8329 0.008 3 . . . . . . 24 D CB . 25003 1 111 . 1 1 24 24 ASP N N 15 125.906 0.021 12 . . . . . . 24 D N . 25003 1 112 . 1 1 25 25 THR H H 1 8.2191 0.004 11 . . . . . . 25 T HN . 25003 1 113 . 1 1 25 25 THR C C 13 175.6384 0 1 . . . . . . 25 T C . 25003 1 114 . 1 1 25 25 THR CA C 13 64.5359 0.018 6 . . . . . . 25 T CA . 25003 1 115 . 1 1 25 25 THR CB C 13 68.7619 0.003 3 . . . . . . 25 T CB . 25003 1 116 . 1 1 25 25 THR N N 15 117.386 0.013 11 . . . . . . 25 T N . 25003 1 117 . 1 1 26 26 GLY H H 1 8.6341 0.006 12 . . . . . . 26 G HN . 25003 1 118 . 1 1 26 26 GLY C C 13 175.0814 0.019 3 . . . . . . 26 G C . 25003 1 119 . 1 1 26 26 GLY CA C 13 46.5159 0.014 6 . . . . . . 26 G CA . 25003 1 120 . 1 1 26 26 GLY N N 15 109.395 0.011 12 . . . . . . 26 G N . 25003 1 121 . 1 1 27 27 THR H H 1 6.8691 0.004 11 . . . . . . 27 T HN . 25003 1 122 . 1 1 27 27 THR C C 13 175.5854 0.024 3 . . . . . . 27 T C . 25003 1 123 . 1 1 27 27 THR CA C 13 61.4699 0.008 6 . . . . . . 27 T CA . 25003 1 124 . 1 1 27 27 THR CB C 13 71.9319 0.006 3 . . . . . . 27 T CB . 25003 1 125 . 1 1 27 27 THR N N 15 107.047 0.012 11 . . . . . . 27 T N . 25003 1 126 . 1 1 28 28 ASN H H 1 8.4591 0.003 13 . . . . . . 28 N HN . 25003 1 127 . 1 1 28 28 ASN C C 13 174.1624 0.019 3 . . . . . . 28 N C . 25003 1 128 . 1 1 28 28 ASN CA C 13 55.2339 0.027 6 . . . . . . 28 N CA . 25003 1 129 . 1 1 28 28 ASN CB C 13 37.6229 0.002 3 . . . . . . 28 N CB . 25003 1 130 . 1 1 28 28 ASN N N 15 117.81 0.014 13 . . . . . . 28 N N . 25003 1 131 . 1 1 29 29 ARG H H 1 7.5591 0.002 13 . . . . . . 29 R HN . 25003 1 132 . 1 1 29 29 ARG C C 13 175.3704 0.026 3 . . . . . . 29 R C . 25003 1 133 . 1 1 29 29 ARG CA C 13 57.1859 0.021 6 . . . . . . 29 R CA . 25003 1 134 . 1 1 29 29 ARG CB C 13 31.6319 0.009 3 . . . . . . 29 R CB . 25003 1 135 . 1 1 29 29 ARG N N 15 119.353 0.014 13 . . . . . . 29 R N . 25003 1 136 . 1 1 30 30 THR H H 1 7.9391 0.004 13 . . . . . . 30 T HN . 25003 1 137 . 1 1 30 30 THR C C 13 174.8924 0.008 3 . . . . . . 30 T C . 25003 1 138 . 1 1 30 30 THR CA C 13 58.4969 0.012 4 . . . . . . 30 T CA . 25003 1 139 . 1 1 30 30 THR CB C 13 73.0729 0.009 3 . . . . . . 30 T CB . 25003 1 140 . 1 1 30 30 THR N N 15 110.485 0.015 13 . . . . . . 30 T N . 25003 1 141 . 1 1 31 31 VAL H H 1 8.0621 0.002 10 . . . . . . 31 V HN . 25003 1 142 . 1 1 31 31 VAL C C 13 173.1474 0.005 3 . . . . . . 31 V C . 25003 1 143 . 1 1 31 31 VAL CA C 13 61.6329 0.008 6 . . . . . . 31 V CA . 25003 1 144 . 1 1 31 31 VAL CB C 13 35.1119 0.014 3 . . . . . . 31 V CB . 25003 1 145 . 1 1 31 31 VAL N N 15 120.354 0.016 10 . . . . . . 31 V N . 25003 1 146 . 1 1 32 32 ALA H H 1 8.4281 0.002 12 . . . . . . 32 A HN . 25003 1 147 . 1 1 32 32 ALA C C 13 175.7164 0.008 3 . . . . . . 32 A C . 25003 1 148 . 1 1 32 32 ALA CA C 13 50.7589 0.008 7 . . . . . . 32 A CA . 25003 1 149 . 1 1 32 32 ALA CB C 13 23.2449 0.009 3 . . . . . . 32 A CB . 25003 1 150 . 1 1 32 32 ALA N N 15 127.708 0.019 5 . . . . . . 32 A N . 25003 1 151 . 1 1 33 33 TYR H H 1 8.6721 0.003 13 . . . . . . 33 Y HN . 25003 1 152 . 1 1 33 33 TYR C C 13 172.2384 0 1 . . . . . . 33 Y C . 25003 1 153 . 1 1 33 33 TYR CA C 13 59.6139 0.017 6 . . . . . . 33 Y CA . 25003 1 154 . 1 1 33 33 TYR CB C 13 41.0149 0.008 3 . . . . . . 33 Y CB . 25003 1 155 . 1 1 33 33 TYR N N 15 123.857 0.021 13 . . . . . . 33 Y N . 25003 1 156 . 1 1 34 34 ARG H H 1 8.7741 0.002 12 . . . . . . 34 R HN . 25003 1 157 . 1 1 34 34 ARG C C 13 175.1734 0 1 . . . . . . 34 R C . 25003 1 158 . 1 1 34 34 ARG CA C 13 57.3809 0.003 2 . . . . . . 34 R CA . 25003 1 159 . 1 1 34 34 ARG CB C 13 28.0979 0 1 . . . . . . 34 R CB . 25003 1 160 . 1 1 34 34 ARG N N 15 123.179 0.014 12 . . . . . . 34 R N . 25003 1 161 . 1 1 35 35 PRO C C 13 174.6124 0.015 2 . . . . . . 35 P C . 25003 1 162 . 1 1 35 35 PRO CA C 13 65.3459 0.013 4 . . . . . . 35 P CA . 25003 1 163 . 1 1 35 35 PRO CB C 13 32.5339 0.004 2 . . . . . . 35 P CB . 25003 1 164 . 1 1 36 36 ASP H H 1 8.1481 0.005 12 . . . . . . 36 D HN . 25003 1 165 . 1 1 36 36 ASP C C 13 174.6974 0 1 . . . . . . 36 D C . 25003 1 166 . 1 1 36 36 ASP CA C 13 53.5049 0.007 6 . . . . . . 36 D CA . 25003 1 167 . 1 1 36 36 ASP CB C 13 42.0399 0.003 3 . . . . . . 36 D CB . 25003 1 168 . 1 1 36 36 ASP N N 15 114.427 0.024 12 . . . . . . 36 D N . 25003 1 169 . 1 1 37 37 GLU H H 1 6.9481 0.003 12 . . . . . . 37 E HN . 25003 1 170 . 1 1 37 37 GLU C C 13 176.0784 0.007 2 . . . . . . 37 E C . 25003 1 171 . 1 1 37 37 GLU CA C 13 55.5689 0.017 5 . . . . . . 37 E CA . 25003 1 172 . 1 1 37 37 GLU CB C 13 30.8449 0.012 3 . . . . . . 37 E CB . 25003 1 173 . 1 1 37 37 GLU N N 15 122.022 0.009 12 . . . . . . 37 E N . 25003 1 174 . 1 1 38 38 ARG H H 1 8.3941 0.002 11 . . . . . . 38 R HN . 25003 1 175 . 1 1 38 38 ARG C C 13 176.7244 0.005 2 . . . . . . 38 R C . 25003 1 176 . 1 1 38 38 ARG CA C 13 56.5489 0.039 5 . . . . . . 38 R CA . 25003 1 177 . 1 1 38 38 ARG CB C 13 31.6979 0.004 3 . . . . . . 38 R CB . 25003 1 178 . 1 1 38 38 ARG N N 15 124.309 0.014 11 . . . . . . 38 R N . 25003 1 179 . 1 1 39 39 PHE H H 1 8.6601 0.004 9 . . . . . . 39 F HN . 25003 1 180 . 1 1 39 39 PHE C C 13 175.3094 0 1 . . . . . . 39 F C . 25003 1 181 . 1 1 39 39 PHE CA C 13 56.3859 0.023 5 . . . . . . 39 F CA . 25003 1 182 . 1 1 39 39 PHE CB C 13 43.6709 0.008 3 . . . . . . 39 F CB . 25003 1 183 . 1 1 39 39 PHE N N 15 119.008 0.015 9 . . . . . . 39 F N . 25003 1 184 . 1 1 40 40 ALA H H 1 9.2341 0.002 12 . . . . . . 40 A HN . 25003 1 185 . 1 1 40 40 ALA C C 13 177.3894 0.014 2 . . . . . . 40 A C . 25003 1 186 . 1 1 40 40 ALA CA C 13 52.7109 0.014 6 . . . . . . 40 A CA . 25003 1 187 . 1 1 40 40 ALA CB C 13 17.7729 0.008 3 . . . . . . 40 A CB . 25003 1 188 . 1 1 40 40 ALA N N 15 126.252 0.013 12 . . . . . . 40 A N . 25003 1 189 . 1 1 41 41 PHE H H 1 7.1281 0.003 11 . . . . . . 41 F HN . 25003 1 190 . 1 1 41 41 PHE C C 13 178.8854 0 1 . . . . . . 41 F C . 25003 1 191 . 1 1 41 41 PHE CA C 13 57.1229 0.016 3 . . . . . . 41 F CA . 25003 1 192 . 1 1 41 41 PHE CB C 13 37.2319 0.065 2 . . . . . . 41 F CB . 25003 1 193 . 1 1 41 41 PHE N N 15 119.151 0.011 11 . . . . . . 41 F N . 25003 1 194 . 1 1 42 42 ALA H H 1 10.1581 0.003 7 . . . . . . 42 A HN . 25003 1 195 . 1 1 42 42 ALA C C 13 176.2674 0 1 . . . . . . 42 A C . 25003 1 196 . 1 1 42 42 ALA CA C 13 52.8409 0.022 5 . . . . . . 42 A CA . 25003 1 197 . 1 1 42 42 ALA CB C 13 18.8959 0.029 3 . . . . . . 42 A CB . 25003 1 198 . 1 1 42 42 ALA N N 15 132.599 0.009 7 . . . . . . 42 A N . 25003 1 199 . 1 1 43 43 SER H H 1 7.7061 0.017 7 . . . . . . 43 S HN . 25003 1 200 . 1 1 43 43 SER C C 13 179.024 0 1 . . . . . . 43 S C . 25003 1 201 . 1 1 43 43 SER CA C 13 62.6529 0.057 4 . . . . . . 43 S CA . 25003 1 202 . 1 1 43 43 SER CB C 13 63.4809 0.038 2 . . . . . . 43 S CB . 25003 1 203 . 1 1 43 43 SER N N 15 114.15 0.01 7 . . . . . . 43 S N . 25003 1 204 . 1 1 44 44 THR H H 1 7.6631 0.004 12 . . . . . . 44 T HN . 25003 1 205 . 1 1 44 44 THR C C 13 176.8514 0.022 2 . . . . . . 44 T C . 25003 1 206 . 1 1 44 44 THR CA C 13 66.4089 0.053 6 . . . . . . 44 T CA . 25003 1 207 . 1 1 44 44 THR CB C 13 67.7559 0.021 3 . . . . . . 44 T CB . 25003 1 208 . 1 1 44 44 THR N N 15 114.13 0.024 12 . . . . . . 44 T N . 25003 1 209 . 1 1 45 45 ILE H H 1 6.8801 0.009 13 . . . . . . 45 I HN . 25003 1 210 . 1 1 45 45 ILE C C 13 178.1964 0.029 3 . . . . . . 45 I C . 25003 1 211 . 1 1 45 45 ILE CA C 13 58.0019 0.02 6 . . . . . . 45 I CA . 25003 1 212 . 1 1 45 45 ILE CB C 13 38.8799 0.027 3 . . . . . . 45 I CB . 25003 1 213 . 1 1 45 45 ILE N N 15 118.5 0.025 13 . . . . . . 45 I N . 25003 1 214 . 1 1 46 46 LYS H H 1 8.0961 0.003 13 . . . . . . 46 K HN . 25003 1 215 . 1 1 46 46 LYS C C 13 179.0774 0.011 3 . . . . . . 46 K C . 25003 1 216 . 1 1 46 46 LYS CA C 13 59.8029 0.007 6 . . . . . . 46 K CA . 25003 1 217 . 1 1 46 46 LYS CB C 13 32.5639 0.012 3 . . . . . . 46 K CB . 25003 1 218 . 1 1 46 46 LYS N N 15 126.957 0.018 13 . . . . . . 46 K N . 25003 1 219 . 1 1 47 47 ALA H H 1 7.0651 0.003 13 . . . . . . 47 A HN . 25003 1 220 . 1 1 47 47 ALA C C 13 177.2384 0.021 3 . . . . . . 47 A C . 25003 1 221 . 1 1 47 47 ALA CA C 13 55.2249 0.031 6 . . . . . . 47 A CA . 25003 1 222 . 1 1 47 47 ALA CB C 13 18.0379 0.025 3 . . . . . . 47 A CB . 25003 1 223 . 1 1 47 47 ALA N N 15 118.302 0.018 13 . . . . . . 47 A N . 25003 1 224 . 1 1 48 48 LEU H H 1 6.0241 0.006 11 . . . . . . 48 L HN . 25003 1 225 . 1 1 48 48 LEU C C 13 176.8954 0 1 . . . . . . 48 L C . 25003 1 226 . 1 1 48 48 LEU CA C 13 57.0209 0.034 6 . . . . . . 48 L CA . 25003 1 227 . 1 1 48 48 LEU CB C 13 40.6879 0.023 3 . . . . . . 48 L CB . 25003 1 228 . 1 1 48 48 LEU N N 15 113.939 0.026 11 . . . . . . 48 L N . 25003 1 229 . 1 1 49 49 THR H H 1 7.8911 0.004 11 . . . . . . 49 T HN . 25003 1 230 . 1 1 49 49 THR C C 13 175.4274 0 1 . . . . . . 49 T C . 25003 1 231 . 1 1 49 49 THR CA C 13 67.1649 0.022 4 . . . . . . 49 T CA . 25003 1 232 . 1 1 49 49 THR CB C 13 68.2239 0.009 3 . . . . . . 49 T CB . 25003 1 233 . 1 1 49 49 THR N N 15 114.148 0.012 11 . . . . . . 49 T N . 25003 1 234 . 1 1 50 50 VAL H H 1 7.2001 0.003 10 . . . . . . 50 V HN . 25003 1 235 . 1 1 50 50 VAL C C 13 176.7084 0.005 2 . . . . . . 50 V C . 25003 1 236 . 1 1 50 50 VAL CA C 13 66.8849 0.032 6 . . . . . . 50 V CA . 25003 1 237 . 1 1 50 50 VAL CB C 13 30.9929 0.012 3 . . . . . . 50 V CB . 25003 1 238 . 1 1 50 50 VAL N N 15 120.024 0.013 10 . . . . . . 50 V N . 25003 1 239 . 1 1 51 51 GLY H H 1 7.3811 0.004 11 . . . . . . 51 G HN . 25003 1 240 . 1 1 51 51 GLY C C 13 173.2214 0.012 2 . . . . . . 51 G C . 25003 1 241 . 1 1 51 51 GLY CA C 13 47.4529 0.017 6 . . . . . . 51 G CA . 25003 1 242 . 1 1 51 51 GLY N N 15 107.492 0.015 11 . . . . . . 51 G N . 25003 1 243 . 1 1 52 52 VAL H H 1 7.0611 0.004 10 . . . . . . 52 V HN . 25003 1 244 . 1 1 52 52 VAL C C 13 177.8514 0.006 2 . . . . . . 52 V C . 25003 1 245 . 1 1 52 52 VAL CA C 13 66.4679 0.009 6 . . . . . . 52 V CA . 25003 1 246 . 1 1 52 52 VAL CB C 13 31.1429 0.004 3 . . . . . . 52 V CB . 25003 1 247 . 1 1 52 52 VAL N N 15 120.208 0.01 10 . . . . . . 52 V N . 25003 1 248 . 1 1 53 53 LEU H H 1 7.9591 0.003 11 . . . . . . 53 L HN . 25003 1 249 . 1 1 53 53 LEU C C 13 178.0914 0 1 . . . . . . 53 L C . 25003 1 250 . 1 1 53 53 LEU CA C 13 58.7999 0.003 6 . . . . . . 53 L CA . 25003 1 251 . 1 1 53 53 LEU CB C 13 41.7389 0.006 2 . . . . . . 53 L CB . 25003 1 252 . 1 1 53 53 LEU N N 15 121.812 0.009 11 . . . . . . 53 L N . 25003 1 253 . 1 1 54 54 LEU H H 1 8.4221 0.002 10 . . . . . . 54 L HN . 25003 1 254 . 1 1 54 54 LEU C C 13 177.3344 0 1 . . . . . . 54 L C . 25003 1 255 . 1 1 54 54 LEU CA C 13 56.6879 0.009 6 . . . . . . 54 L CA . 25003 1 256 . 1 1 54 54 LEU CB C 13 41.8049 0.011 3 . . . . . . 54 L CB . 25003 1 257 . 1 1 54 54 LEU N N 15 115.328 0.005 10 . . . . . . 54 L N . 25003 1 258 . 1 1 55 55 GLN H H 1 7.8781 0.003 12 . . . . . . 55 Q HN . 25003 1 259 . 1 1 55 55 GLN C C 13 178.4464 0.009 2 . . . . . . 55 Q C . 25003 1 260 . 1 1 55 55 GLN CA C 13 58.7439 0.011 6 . . . . . . 55 Q CA . 25003 1 261 . 1 1 55 55 GLN CB C 13 29.8699 0.017 3 . . . . . . 55 Q CB . 25003 1 262 . 1 1 55 55 GLN N N 15 118.699 0.017 12 . . . . . . 55 Q N . 25003 1 263 . 1 1 56 56 GLN H H 1 7.7131 0.004 12 . . . . . . 56 Q HN . 25003 1 264 . 1 1 56 56 GLN C C 13 176.3844 0.005 2 . . . . . . 56 Q C . 25003 1 265 . 1 1 56 56 GLN CA C 13 57.3119 0.009 6 . . . . . . 56 Q CA . 25003 1 266 . 1 1 56 56 GLN CB C 13 30.3889 0.01 3 . . . . . . 56 Q CB . 25003 1 267 . 1 1 56 56 GLN N N 15 115.53 0.009 12 . . . . . . 56 Q N . 25003 1 268 . 1 1 57 57 LYS H H 1 7.6751 0.003 12 . . . . . . 57 K HN . 25003 1 269 . 1 1 57 57 LYS C C 13 175.8994 0.006 2 . . . . . . 57 K C . 25003 1 270 . 1 1 57 57 LYS CA C 13 53.0789 0.015 6 . . . . . . 57 K CA . 25003 1 271 . 1 1 57 57 LYS CB C 13 34.5039 0 0 . . . . . . 57 K CB . 25003 1 272 . 1 1 57 57 LYS N N 15 119.265 0.016 12 . . . . . . 57 K N . 25003 1 273 . 1 1 58 58 SER H H 1 9.0731 0.003 12 . . . . . . 58 S HN . 25003 1 274 . 1 1 58 58 SER C C 13 174.8324 0.029 2 . . . . . . 58 S C . 25003 1 275 . 1 1 58 58 SER CA C 13 56.9529 0.016 6 . . . . . . 58 S CA . 25003 1 276 . 1 1 58 58 SER CB C 13 65.0239 0.028 3 . . . . . . 58 S CB . 25003 1 277 . 1 1 58 58 SER N N 15 115.598 0 0 . . . . . . 58 S N . 25003 1 278 . 1 1 59 59 ILE H H 1 8.6611 0.003 12 . . . . . . 59 I HN . 25003 1 279 . 1 1 59 59 ILE C C 13 179.5504 0.008 2 . . . . . . 59 I C . 25003 1 280 . 1 1 59 59 ILE CA C 13 64.5189 0.029 6 . . . . . . 59 I CA . 25003 1 281 . 1 1 59 59 ILE CB C 13 36.3559 0.003 3 . . . . . . 59 I CB . 25003 1 282 . 1 1 59 59 ILE N N 15 120.257 0.013 12 . . . . . . 59 I N . 25003 1 283 . 1 1 60 60 GLU H H 1 8.5011 0.003 12 . . . . . . 60 E HN . 25003 1 284 . 1 1 60 60 GLU C C 13 178.8984 0 0 . . . . . . 60 E C . 25003 1 285 . 1 1 60 60 GLU CA C 13 59.7759 0.004 6 . . . . . . 60 E CA . 25003 1 286 . 1 1 60 60 GLU CB C 13 28.9129 0.005 3 . . . . . . 60 E CB . 25003 1 287 . 1 1 60 60 GLU N N 15 121.181 0.016 12 . . . . . . 60 E N . 25003 1 288 . 1 1 61 61 ASP H H 1 8.1041 0.002 12 . . . . . . 61 D HN . 25003 1 289 . 1 1 61 61 ASP C C 13 178.9064 0.008 2 . . . . . . 61 D C . 25003 1 290 . 1 1 61 61 ASP CA C 13 56.6449 0.009 4 . . . . . . 61 D CA . 25003 1 291 . 1 1 61 61 ASP CB C 13 40.9279 0.004 2 . . . . . . 61 D CB . 25003 1 292 . 1 1 61 61 ASP N N 15 122.137 0.015 12 . . . . . . 61 D N . 25003 1 293 . 1 1 62 62 LEU H H 1 7.7221 0.003 9 . . . . . . 62 L HN . 25003 1 294 . 1 1 62 62 LEU C C 13 176.3434 0.009 2 . . . . . . 62 L C . 25003 1 295 . 1 1 62 62 LEU CA C 13 56.1269 0.017 6 . . . . . . 62 L CA . 25003 1 296 . 1 1 62 62 LEU CB C 13 41.1999 0.027 3 . . . . . . 62 L CB . 25003 1 297 . 1 1 62 62 LEU N N 15 117.66 0.009 9 . . . . . . 62 L N . 25003 1 298 . 1 1 63 63 ASN H H 1 7.6061 0.002 12 . . . . . . 63 N HN . 25003 1 299 . 1 1 63 63 ASN C C 13 174.5394 0.008 2 . . . . . . 63 N C . 25003 1 300 . 1 1 63 63 ASN CA C 13 53.1659 0.009 6 . . . . . . 63 N CA . 25003 1 301 . 1 1 63 63 ASN CB C 13 38.5049 0.011 3 . . . . . . 63 N CB . 25003 1 302 . 1 1 63 63 ASN N N 15 115.06 0.014 12 . . . . . . 63 N N . 25003 1 303 . 1 1 64 64 GLN H H 1 7.4631 0.003 12 . . . . . . 64 Q HN . 25003 1 304 . 1 1 64 64 GLN C C 13 174.7374 0.004 2 . . . . . . 64 Q C . 25003 1 305 . 1 1 64 64 GLN CA C 13 56.6389 0.007 4 . . . . . . 64 Q CA . 25003 1 306 . 1 1 64 64 GLN CB C 13 29.1109 0.01 3 . . . . . . 64 Q CB . 25003 1 307 . 1 1 64 64 GLN N N 15 120.94 0.012 12 . . . . . . 64 Q N . 25003 1 308 . 1 1 65 65 ARG H H 1 8.4881 0.002 10 . . . . . . 65 R HN . 25003 1 309 . 1 1 65 65 ARG C C 13 174.9754 0.009 2 . . . . . . 65 R C . 25003 1 310 . 1 1 65 65 ARG CA C 13 56.8659 0.041 6 . . . . . . 65 R CA . 25003 1 311 . 1 1 65 65 ARG CB C 13 31.1189 0.003 3 . . . . . . 65 R CB . 25003 1 312 . 1 1 65 65 ARG N N 15 125.386 0.017 10 . . . . . . 65 R N . 25003 1 313 . 1 1 66 66 ILE H H 1 9.1751 0.002 13 . . . . . . 66 I HN . 25003 1 314 . 1 1 66 66 ILE C C 13 175.3384 0.021 4 . . . . . . 66 I C . 25003 1 315 . 1 1 66 66 ILE CA C 13 58.3329 0.006 6 . . . . . . 66 I CA . 25003 1 316 . 1 1 66 66 ILE CB C 13 37.3439 0.005 3 . . . . . . 66 I CB . 25003 1 317 . 1 1 66 66 ILE N N 15 130.459 0.017 13 . . . . . . 66 I N . 25003 1 318 . 1 1 67 67 THR H H 1 8.1651 0.003 14 . . . . . . 67 T HN . 25003 1 319 . 1 1 67 67 THR C C 13 173.4224 0.027 3 . . . . . . 67 T C . 25003 1 320 . 1 1 67 67 THR CA C 13 60.5629 0.015 6 . . . . . . 67 T CA . 25003 1 321 . 1 1 67 67 THR CB C 13 69.8579 0.005 3 . . . . . . 67 T CB . 25003 1 322 . 1 1 67 67 THR N N 15 118.965 0.023 14 . . . . . . 67 T N . 25003 1 323 . 1 1 68 68 TYR H H 1 8.3901 0.002 13 . . . . . . 68 Y HN . 25003 1 324 . 1 1 68 68 TYR C C 13 172.9774 0.022 3 . . . . . . 68 Y C . 25003 1 325 . 1 1 68 68 TYR CA C 13 55.6969 0.009 6 . . . . . . 68 Y CA . 25003 1 326 . 1 1 68 68 TYR CB C 13 38.6989 0.004 3 . . . . . . 68 Y CB . 25003 1 327 . 1 1 68 68 TYR N N 15 121.951 0.021 13 . . . . . . 68 Y N . 25003 1 328 . 1 1 69 69 THR H H 1 9.2901 0.003 13 . . . . . . 69 T HN . 25003 1 329 . 1 1 69 69 THR C C 13 176.6124 0.016 4 . . . . . . 69 T C . 25003 1 330 . 1 1 69 69 THR CA C 13 59.8149 0.01 4 . . . . . . 69 T CA . 25003 1 331 . 1 1 69 69 THR CB C 13 73.2929 0.005 3 . . . . . . 69 T CB . 25003 1 332 . 1 1 69 69 THR N N 15 109.231 0.013 13 . . . . . . 69 T N . 25003 1 333 . 1 1 70 70 ARG H H 1 8.9811 0.002 12 . . . . . . 70 R HN . 25003 1 334 . 1 1 70 70 ARG C C 13 178.2894 0.025 3 . . . . . . 70 R C . 25003 1 335 . 1 1 70 70 ARG CA C 13 59.4109 0.057 6 . . . . . . 70 R CA . 25003 1 336 . 1 1 70 70 ARG CB C 13 29.1849 0.014 3 . . . . . . 70 R CB . 25003 1 337 . 1 1 70 70 ARG N N 15 119.364 0.013 12 . . . . . . 70 R N . 25003 1 338 . 1 1 71 71 ASP H H 1 7.9131 0.004 13 . . . . . . 71 D HN . 25003 1 339 . 1 1 71 71 ASP C C 13 176.4374 0.022 3 . . . . . . 71 D C . 25003 1 340 . 1 1 71 71 ASP CA C 13 56.1679 0.004 4 . . . . . . 71 D CA . 25003 1 341 . 1 1 71 71 ASP CB C 13 40.5829 0.016 3 . . . . . . 71 D CB . 25003 1 342 . 1 1 71 71 ASP N N 15 118.419 0.017 13 . . . . . . 71 D N . 25003 1 343 . 1 1 72 72 ASP H H 1 7.7711 0.003 11 . . . . . . 72 D HN . 25003 1 344 . 1 1 72 72 ASP C C 13 175.7784 0.022 3 . . . . . . 72 D C . 25003 1 345 . 1 1 72 72 ASP CA C 13 55.5909 0.017 4 . . . . . . 72 D CA . 25003 1 346 . 1 1 72 72 ASP CB C 13 42.8299 0.004 3 . . . . . . 72 D CB . 25003 1 347 . 1 1 72 72 ASP N N 15 117.161 0.012 11 . . . . . . 72 D N . 25003 1 348 . 1 1 73 73 LEU H H 1 7.1501 0.004 11 . . . . . . 73 L HN . 25003 1 349 . 1 1 73 73 LEU C C 13 177.2444 0.017 3 . . . . . . 73 L C . 25003 1 350 . 1 1 73 73 LEU CA C 13 55.1589 0.024 6 . . . . . . 73 L CA . 25003 1 351 . 1 1 73 73 LEU CB C 13 39.9679 0.003 3 . . . . . . 73 L CB . 25003 1 352 . 1 1 73 73 LEU N N 15 118.287 0.008 11 . . . . . . 73 L N . 25003 1 353 . 1 1 74 74 VAL H H 1 8.4361 0.004 12 . . . . . . 74 V HN . 25003 1 354 . 1 1 74 74 VAL C C 13 175.6424 0.006 2 . . . . . . 74 V C . 25003 1 355 . 1 1 74 74 VAL CA C 13 59.1609 0.008 6 . . . . . . 74 V CA . 25003 1 356 . 1 1 74 74 VAL CB C 13 31.1499 0.002 3 . . . . . . 74 V CB . 25003 1 357 . 1 1 74 74 VAL N N 15 114.814 0.015 12 . . . . . . 74 V N . 25003 1 358 . 1 1 75 75 ASN H H 1 8.4881 0.004 11 . . . . . . 75 N HN . 25003 1 359 . 1 1 75 75 ASN C C 13 174.5394 0 2 . . . . . . 75 N C . 25003 1 360 . 1 1 75 75 ASN CA C 13 55.1159 0.005 6 . . . . . . 75 N CA . 25003 1 361 . 1 1 75 75 ASN CB C 13 37.5669 0.002 3 . . . . . . 75 N CB . 25003 1 362 . 1 1 75 75 ASN N N 15 122.011 0.01 11 . . . . . . 75 N N . 25003 1 363 . 1 1 76 76 TYR H H 1 6.7291 0.003 13 . . . . . . 76 Y HN . 25003 1 364 . 1 1 76 76 TYR C C 13 172.2534 0.002 2 . . . . . . 76 Y C . 25003 1 365 . 1 1 76 76 TYR CA C 13 59.2929 0.007 6 . . . . . . 76 Y CA . 25003 1 366 . 1 1 76 76 TYR CB C 13 38.8769 0.001 3 . . . . . . 76 Y CB . 25003 1 367 . 1 1 76 76 TYR N N 15 122.677 0.013 13 . . . . . . 76 Y N . 25003 1 368 . 1 1 77 77 ASN H H 1 8.8491 0.003 11 . . . . . . 77 N HN . 25003 1 369 . 1 1 77 77 ASN CA C 13 49.8329 0.006 2 . . . . . . 77 N CA . 25003 1 370 . 1 1 77 77 ASN CB C 13 41.2209 0 1 . . . . . . 77 N CB . 25003 1 371 . 1 1 77 77 ASN N N 15 126.749 0.009 11 . . . . . . 77 N N . 25003 1 372 . 1 1 78 78 PRO C C 13 175.2274 0 1 . . . . . . 78 P C . 25003 1 373 . 1 1 78 78 PRO CA C 13 60.0839 8.445 4 . . . . . . 78 P CA . 25003 1 374 . 1 1 78 78 PRO CB C 13 31.1239 0.01 2 . . . . . . 78 P CB . 25003 1 375 . 1 1 79 79 ILE H H 1 8.3821 0.003 12 . . . . . . 79 I HN . 25003 1 376 . 1 1 79 79 ILE C C 13 179.3424 0.009 2 . . . . . . 79 I C . 25003 1 377 . 1 1 79 79 ILE CA C 13 59.9199 0.015 6 . . . . . . 79 I CA . 25003 1 378 . 1 1 79 79 ILE CB C 13 37.0959 0.01 3 . . . . . . 79 I CB . 25003 1 379 . 1 1 79 79 ILE N N 15 116.268 0.039 12 . . . . . . 79 I N . 25003 1 380 . 1 1 80 80 THR H H 1 9.4531 0.003 11 . . . . . . 80 T HN . 25003 1 381 . 1 1 80 80 THR C C 13 176.4054 0 1 . . . . . . 80 T C . 25003 1 382 . 1 1 80 80 THR CA C 13 64.0919 0.012 6 . . . . . . 80 T CA . 25003 1 383 . 1 1 80 80 THR CB C 13 69.1389 0.007 3 . . . . . . 80 T CB . 25003 1 384 . 1 1 80 80 THR N N 15 114.778 0.029 11 . . . . . . 80 T N . 25003 1 385 . 1 1 81 81 GLU H H 1 8.1951 0.009 12 . . . . . . 81 E HN . 25003 1 386 . 1 1 81 81 GLU C C 13 176.5924 0.009 2 . . . . . . 81 E C . 25003 1 387 . 1 1 81 81 GLU CA C 13 58.9569 0.006 6 . . . . . . 81 E CA . 25003 1 388 . 1 1 81 81 GLU CB C 13 28.4379 0.013 3 . . . . . . 81 E CB . 25003 1 389 . 1 1 81 81 GLU N N 15 120.387 0.032 12 . . . . . . 81 E N . 25003 1 390 . 1 1 82 82 LYS H H 1 7.3291 0.002 12 . . . . . . 82 K HN . 25003 1 391 . 1 1 82 82 LYS C C 13 177.2754 0.01 2 . . . . . . 82 K C . 25003 1 392 . 1 1 82 82 LYS CA C 13 56.3889 0.076 6 . . . . . . 82 K CA . 25003 1 393 . 1 1 82 82 LYS CB C 13 32.2369 0.005 3 . . . . . . 82 K CB . 25003 1 394 . 1 1 82 82 LYS N N 15 116.417 0.031 12 . . . . . . 82 K N . 25003 1 395 . 1 1 83 83 HIS H H 1 6.8701 0.01 12 . . . . . . 83 H HN . 25003 1 396 . 1 1 83 83 HIS C C 13 173.9614 0.013 3 . . . . . . 83 H C . 25003 1 397 . 1 1 83 83 HIS CA C 13 54.8049 0.01 6 . . . . . . 83 H CA . 25003 1 398 . 1 1 83 83 HIS CB C 13 29.4399 0.011 3 . . . . . . 83 H CB . 25003 1 399 . 1 1 83 83 HIS N N 15 114.406 0.037 12 . . . . . . 83 H N . 25003 1 400 . 1 1 84 84 VAL H H 1 7.1871 0.009 13 . . . . . . 84 V HN . 25003 1 401 . 1 1 84 84 VAL C C 13 176.0424 0.01 3 . . . . . . 84 V C . 25003 1 402 . 1 1 84 84 VAL CA C 13 64.8329 0.009 6 . . . . . . 84 V CA . 25003 1 403 . 1 1 84 84 VAL CB C 13 31.9749 0.007 3 . . . . . . 84 V CB . 25003 1 404 . 1 1 84 84 VAL N N 15 120.715 0.019 13 . . . . . . 84 V N . 25003 1 405 . 1 1 85 85 ASP H H 1 8.2851 0.003 13 . . . . . . 85 D HN . 25003 1 406 . 1 1 85 85 ASP C C 13 177.6344 0.014 2 . . . . . . 85 D C . 25003 1 407 . 1 1 85 85 ASP CA C 13 56.1609 0.004 6 . . . . . . 85 D CA . 25003 1 408 . 1 1 85 85 ASP CB C 13 40.3429 0.007 3 . . . . . . 85 D CB . 25003 1 409 . 1 1 85 85 ASP N N 15 115.634 0.018 13 . . . . . . 85 D N . 25003 1 410 . 1 1 86 86 THR H H 1 7.3621 0.003 12 . . . . . . 86 T HN . 25003 1 411 . 1 1 86 86 THR C C 13 176.7284 0.011 2 . . . . . . 86 T C . 25003 1 412 . 1 1 86 86 THR CA C 13 62.0729 0.004 6 . . . . . . 86 T CA . 25003 1 413 . 1 1 86 86 THR CB C 13 70.9829 0.005 3 . . . . . . 86 T CB . 25003 1 414 . 1 1 86 86 THR N N 15 107.877 0.041 12 . . . . . . 86 T N . 25003 1 415 . 1 1 87 87 GLY H H 1 8.0961 0.004 11 . . . . . . 87 G HN . 25003 1 416 . 1 1 87 87 GLY C C 13 173.0664 0.012 2 . . . . . . 87 G C . 25003 1 417 . 1 1 87 87 GLY CA C 13 45.4309 0.021 6 . . . . . . 87 G CA . 25003 1 418 . 1 1 87 87 GLY N N 15 113.714 0.019 11 . . . . . . 87 G N . 25003 1 419 . 1 1 88 88 MET H H 1 8.3761 0.004 10 . . . . . . 88 M HN . 25003 1 420 . 1 1 88 88 MET C C 13 175.2164 0.011 2 . . . . . . 88 M C . 25003 1 421 . 1 1 88 88 MET CA C 13 55.1379 0.006 6 . . . . . . 88 M CA . 25003 1 422 . 1 1 88 88 MET CB C 13 40.1139 0.002 3 . . . . . . 88 M CB . 25003 1 423 . 1 1 88 88 MET N N 15 116.104 0.022 10 . . . . . . 88 M N . 25003 1 424 . 1 1 89 89 THR H H 1 9.1691 0.002 12 . . . . . . 89 T HN . 25003 1 425 . 1 1 89 89 THR C C 13 176.0054 0.029 2 . . . . . . 89 T C . 25003 1 426 . 1 1 89 89 THR CA C 13 60.5579 0.011 6 . . . . . . 89 T CA . 25003 1 427 . 1 1 89 89 THR CB C 13 70.5499 0.003 3 . . . . . . 89 T CB . 25003 1 428 . 1 1 89 89 THR N N 15 113.284 0.007 12 . . . . . . 89 T N . 25003 1 429 . 1 1 90 90 LEU H H 1 7.8681 0.004 11 . . . . . . 90 L HN . 25003 1 430 . 1 1 90 90 LEU C C 13 178.3554 0 1 . . . . . . 90 L C . 25003 1 431 . 1 1 90 90 LEU CA C 13 58.6549 0.016 6 . . . . . . 90 L CA . 25003 1 432 . 1 1 90 90 LEU CB C 13 42.4479 0.008 3 . . . . . . 90 L CB . 25003 1 433 . 1 1 90 90 LEU N N 15 120.819 0.009 11 . . . . . . 90 L N . 25003 1 434 . 1 1 91 91 LYS H H 1 8.6211 0.012 13 . . . . . . 91 K HN . 25003 1 435 . 1 1 91 91 LYS C C 13 177.7194 0.028 3 . . . . . . 91 K C . 25003 1 436 . 1 1 91 91 LYS CA C 13 60.5419 0.009 6 . . . . . . 91 K CA . 25003 1 437 . 1 1 91 91 LYS CB C 13 33.1799 0.008 3 . . . . . . 91 K CB . 25003 1 438 . 1 1 91 91 LYS N N 15 119.365 0.031 13 . . . . . . 91 K N . 25003 1 439 . 1 1 92 92 GLU H H 1 7.6531 0.003 13 . . . . . . 92 E HN . 25003 1 440 . 1 1 92 92 GLU C C 13 180.7584 0.037 3 . . . . . . 92 E C . 25003 1 441 . 1 1 92 92 GLU CA C 13 58.5389 0.007 6 . . . . . . 92 E CA . 25003 1 442 . 1 1 92 92 GLU CB C 13 29.8979 0.009 3 . . . . . . 92 E CB . 25003 1 443 . 1 1 92 92 GLU N N 15 118.067 0.021 13 . . . . . . 92 E N . 25003 1 444 . 1 1 93 93 LEU H H 1 8.7181 0.005 11 . . . . . . 93 L HN . 25003 1 445 . 1 1 93 93 LEU C C 13 177.6654 0.024 2 . . . . . . 93 L C . 25003 1 446 . 1 1 93 93 LEU CA C 13 57.8819 0.007 6 . . . . . . 93 L CA . 25003 1 447 . 1 1 93 93 LEU CB C 13 41.8839 0.005 3 . . . . . . 93 L CB . 25003 1 448 . 1 1 93 93 LEU N N 15 123 0.007 11 . . . . . . 93 L N . 25003 1 449 . 1 1 94 94 ALA H H 1 8.1001 0.003 12 . . . . . . 94 A HN . 25003 1 450 . 1 1 94 94 ALA C C 13 177.6384 0 1 . . . . . . 94 A C . 25003 1 451 . 1 1 94 94 ALA CA C 13 55.1559 0.031 6 . . . . . . 94 A CA . 25003 1 452 . 1 1 94 94 ALA CB C 13 17.1559 0.003 3 . . . . . . 94 A CB . 25003 1 453 . 1 1 94 94 ALA N N 15 124.847 0.017 12 . . . . . . 94 A N . 25003 1 454 . 1 1 95 95 ASP H H 1 7.1731 0.006 12 . . . . . . 95 D HN . 25003 1 455 . 1 1 95 95 ASP C C 13 177.2624 0.017 2 . . . . . . 95 D C . 25003 1 456 . 1 1 95 95 ASP CA C 13 56.9749 0.025 6 . . . . . . 95 D CA . 25003 1 457 . 1 1 95 95 ASP CB C 13 42.6829 0.001 3 . . . . . . 95 D CB . 25003 1 458 . 1 1 95 95 ASP N N 15 118.149 0.051 12 . . . . . . 95 D N . 25003 1 459 . 1 1 96 96 ALA H H 1 7.8591 0.004 12 . . . . . . 96 A HN . 25003 1 460 . 1 1 96 96 ALA C C 13 180.7984 0.011 2 . . . . . . 96 A C . 25003 1 461 . 1 1 96 96 ALA CA C 13 55.4809 0.01 6 . . . . . . 96 A CA . 25003 1 462 . 1 1 96 96 ALA CB C 13 17.7769 0.012 3 . . . . . . 96 A CB . 25003 1 463 . 1 1 96 96 ALA N N 15 119.403 0.011 12 . . . . . . 96 A N . 25003 1 464 . 1 1 97 97 SER H H 1 8.4401 0.003 11 . . . . . . 97 S HN . 25003 1 465 . 1 1 97 97 SER CA C 13 60.8109 0.035 7 . . . . . . 97 S CA . 25003 1 466 . 1 1 97 97 SER CB C 13 64.0809 0.005 3 . . . . . . 97 S CB . 25003 1 467 . 1 1 97 97 SER N N 15 113.559 0.007 11 . . . . . . 97 S N . 25003 1 468 . 1 1 98 98 LEU H H 1 8.1251 0.004 11 . . . . . . 98 L HN . 25003 1 469 . 1 1 98 98 LEU C C 13 178.7994 0 1 . . . . . . 98 L C . 25003 1 470 . 1 1 98 98 LEU CA C 13 57.6199 0.009 6 . . . . . . 98 L CA . 25003 1 471 . 1 1 98 98 LEU CB C 13 42.2169 0.032 4 . . . . . . 98 L CB . 25003 1 472 . 1 1 98 98 LEU N N 15 115.609 0.047 11 . . . . . . 98 L N . 25003 1 473 . 1 1 99 99 ARG H H 1 9.1361 0.003 13 . . . . . . 99 R HN . 25003 1 474 . 1 1 99 99 ARG C C 13 177.8264 0.028 3 . . . . . . 99 R C . 25003 1 475 . 1 1 99 99 ARG CA C 13 59.4959 0.029 6 . . . . . . 99 R CA . 25003 1 476 . 1 1 99 99 ARG CB C 13 30.0559 0.009 3 . . . . . . 99 R CB . 25003 1 477 . 1 1 99 99 ARG N N 15 117.563 0.053 13 . . . . . . 99 R N . 25003 1 478 . 1 1 100 100 TYR H H 1 7.0231 0.003 13 . . . . . . 100 Y HN . 25003 1 479 . 1 1 100 100 TYR C C 13 175.5024 0.024 3 . . . . . . 100 Y C . 25003 1 480 . 1 1 100 100 TYR CA C 13 58.0589 0.007 6 . . . . . . 100 Y CA . 25003 1 481 . 1 1 100 100 TYR CB C 13 39.4299 0.016 3 . . . . . . 100 Y CB . 25003 1 482 . 1 1 100 100 TYR N N 15 112.97 0.016 13 . . . . . . 100 Y N . 25003 1 483 . 1 1 101 101 SER H H 1 7.3481 0.003 11 . . . . . . 101 S HN . 25003 1 484 . 1 1 101 101 SER C C 13 174.3934 0 1 . . . . . . 101 S C . 25003 1 485 . 1 1 101 101 SER CA C 13 59.2259 0.017 5 . . . . . . 101 S CA . 25003 1 486 . 1 1 101 101 SER CB C 13 63.6239 0.008 3 . . . . . . 101 S CB . 25003 1 487 . 1 1 101 101 SER N N 15 117.545 0.014 11 . . . . . . 101 S N . 25003 1 488 . 1 1 102 102 ASP H H 1 7.5231 0.007 11 . . . . . . 102 D HN . 25003 1 489 . 1 1 102 102 ASP C C 13 175.9384 0 1 . . . . . . 102 D C . 25003 1 490 . 1 1 102 102 ASP CA C 13 55.9269 0.009 4 . . . . . . 102 D CA . 25003 1 491 . 1 1 102 102 ASP CB C 13 44.0159 0.013 3 . . . . . . 102 D CB . 25003 1 492 . 1 1 102 102 ASP N N 15 120.048 0.032 11 . . . . . . 102 D N . 25003 1 493 . 1 1 103 103 ASN H H 1 8.4631 0.006 8 . . . . . . 103 N HN . 25003 1 494 . 1 1 103 103 ASN C C 13 177.3124 0 1 . . . . . . 103 N C . 25003 1 495 . 1 1 103 103 ASN CA C 13 55.5449 0.085 4 . . . . . . 103 N CA . 25003 1 496 . 1 1 103 103 ASN CB C 13 38.8129 0.014 3 . . . . . . 103 N CB . 25003 1 497 . 1 1 103 103 ASN N N 15 127.897 0.007 8 . . . . . . 103 N N . 25003 1 498 . 1 1 104 104 ALA H H 1 7.4731 0.006 11 . . . . . . 104 A HN . 25003 1 499 . 1 1 104 104 ALA C C 13 179.7674 0.039 3 . . . . . . 104 A C . 25003 1 500 . 1 1 104 104 ALA CA C 13 55.4729 0.007 4 . . . . . . 104 A CA . 25003 1 501 . 1 1 104 104 ALA CB C 13 17.6679 0.004 3 . . . . . . 104 A CB . 25003 1 502 . 1 1 104 104 ALA N N 15 124.585 0.03 11 . . . . . . 104 A N . 25003 1 503 . 1 1 105 105 ALA H H 1 8.3801 0.005 11 . . . . . . 105 A HN . 25003 1 504 . 1 1 105 105 ALA C C 13 178.4594 0.02 3 . . . . . . 105 A C . 25003 1 505 . 1 1 105 105 ALA CA C 13 55.1709 0.029 5 . . . . . . 105 A CA . 25003 1 506 . 1 1 105 105 ALA CB C 13 18.8119 0.01 3 . . . . . . 105 A CB . 25003 1 507 . 1 1 105 105 ALA N N 15 120.085 0.012 11 . . . . . . 105 A N . 25003 1 508 . 1 1 106 106 GLN H H 1 7.2731 0.006 12 . . . . . . 106 Q HN . 25003 1 509 . 1 1 106 106 GLN C C 13 176.8674 0.012 3 . . . . . . 106 Q C . 25003 1 510 . 1 1 106 106 GLN CA C 13 57.6719 0.01 6 . . . . . . 106 Q CA . 25003 1 511 . 1 1 106 106 GLN CB C 13 26.9059 0.009 3 . . . . . . 106 Q CB . 25003 1 512 . 1 1 106 106 GLN N N 15 116.706 0.011 12 . . . . . . 106 Q N . 25003 1 513 . 1 1 107 107 ASN H H 1 7.7431 0.003 14 . . . . . . 107 N HN . 25003 1 514 . 1 1 107 107 ASN C C 13 178.0404 0.022 3 . . . . . . 107 N C . 25003 1 515 . 1 1 107 107 ASN CA C 13 55.9689 0.03 6 . . . . . . 107 N CA . 25003 1 516 . 1 1 107 107 ASN CB C 13 37.1149 0.006 3 . . . . . . 107 N CB . 25003 1 517 . 1 1 107 107 ASN N N 15 120.59 0.022 14 . . . . . . 107 N N . 25003 1 518 . 1 1 108 108 LEU H H 1 8.5541 0.004 12 . . . . . . 108 L HN . 25003 1 519 . 1 1 108 108 LEU C C 13 180.5184 0 1 . . . . . . 108 L C . 25003 1 520 . 1 1 108 108 LEU CA C 13 58.3399 0.011 6 . . . . . . 108 L CA . 25003 1 521 . 1 1 108 108 LEU CB C 13 42.4169 0.008 3 . . . . . . 108 L CB . 25003 1 522 . 1 1 108 108 LEU N N 15 121.768 0.012 12 . . . . . . 108 L N . 25003 1 523 . 1 1 109 109 ILE H H 1 8.3401 0.003 13 . . . . . . 109 I HN . 25003 1 524 . 1 1 109 109 ILE C C 13 177.8684 0.024 3 . . . . . . 109 I C . 25003 1 525 . 1 1 109 109 ILE CA C 13 66.3499 0.011 6 . . . . . . 109 I CA . 25003 1 526 . 1 1 109 109 ILE CB C 13 37.5309 0.009 3 . . . . . . 109 I CB . 25003 1 527 . 1 1 109 109 ILE N N 15 120.672 0.03 13 . . . . . . 109 I N . 25003 1 528 . 1 1 110 110 LEU H H 1 8.8451 0.004 12 . . . . . . 110 L HN . 25003 1 529 . 1 1 110 110 LEU C C 13 180.3424 0.021 2 . . . . . . 110 L C . 25003 1 530 . 1 1 110 110 LEU CA C 13 57.5409 0.009 6 . . . . . . 110 L CA . 25003 1 531 . 1 1 110 110 LEU CB C 13 42.7779 0.006 3 . . . . . . 110 L CB . 25003 1 532 . 1 1 110 110 LEU N N 15 120.898 0.009 12 . . . . . . 110 L N . 25003 1 533 . 1 1 111 111 LYS H H 1 8.5001 0.004 13 . . . . . . 111 K HN . 25003 1 534 . 1 1 111 111 LYS C C 13 180.0264 0.031 3 . . . . . . 111 K C . 25003 1 535 . 1 1 111 111 LYS CA C 13 60.5349 0.011 6 . . . . . . 111 K CA . 25003 1 536 . 1 1 111 111 LYS CB C 13 32.3679 0.004 3 . . . . . . 111 K CB . 25003 1 537 . 1 1 111 111 LYS N N 15 119.595 0.015 13 . . . . . . 111 K N . 25003 1 538 . 1 1 112 112 GLN H H 1 7.7531 0.003 13 . . . . . . 112 Q HN . 25003 1 539 . 1 1 112 112 GLN C C 13 177.9944 0.013 3 . . . . . . 112 Q C . 25003 1 540 . 1 1 112 112 GLN CA C 13 57.7129 0.007 6 . . . . . . 112 Q CA . 25003 1 541 . 1 1 112 112 GLN CB C 13 27.6359 0.006 3 . . . . . . 112 Q CB . 25003 1 542 . 1 1 112 112 GLN N N 15 119.218 0.014 13 . . . . . . 112 Q N . 25003 1 543 . 1 1 113 113 ILE H H 1 7.4991 0.004 13 . . . . . . 113 I HN . 25003 1 544 . 1 1 113 113 ILE C C 13 175.4834 0.02 3 . . . . . . 113 I C . 25003 1 545 . 1 1 113 113 ILE CA C 13 61.4989 0.024 6 . . . . . . 113 I CA . 25003 1 546 . 1 1 113 113 ILE CB C 13 38.7499 0.004 3 . . . . . . 113 I CB . 25003 1 547 . 1 1 113 113 ILE N N 15 111.733 0.016 13 . . . . . . 113 I N . 25003 1 548 . 1 1 114 114 GLY H H 1 7.4671 0.004 11 . . . . . . 114 G HN . 25003 1 549 . 1 1 114 114 GLY C C 13 175.2984 0.02 2 . . . . . . 114 G C . 25003 1 550 . 1 1 114 114 GLY CA C 13 45.0949 0.016 4 . . . . . . 114 G CA . 25003 1 551 . 1 1 114 114 GLY N N 15 107.147 0.008 11 . . . . . . 114 G N . 25003 1 552 . 1 1 115 115 GLY H H 1 8.5631 0.002 8 . . . . . . 115 G HN . 25003 1 553 . 1 1 115 115 GLY C C 13 171.3744 0.003 2 . . . . . . 115 G C . 25003 1 554 . 1 1 115 115 GLY CA C 13 44.5659 0.009 2 . . . . . . 115 G CA . 25003 1 555 . 1 1 115 115 GLY N N 15 109.953 0.016 8 . . . . . . 115 G N . 25003 1 556 . 1 1 116 116 PRO CA C 13 66.0869 0.009 2 . . . . . . 116 P CA . 25003 1 557 . 1 1 116 116 PRO CB C 13 31.2859 0.01 2 . . . . . . 116 P CB . 25003 1 558 . 1 1 117 117 GLU H H 1 8.8131 0.004 10 . . . . . . 117 E HN . 25003 1 559 . 1 1 117 117 GLU C C 13 179.4714 0.023 3 . . . . . . 117 E C . 25003 1 560 . 1 1 117 117 GLU CA C 13 59.3149 0.005 6 . . . . . . 117 E CA . 25003 1 561 . 1 1 117 117 GLU CB C 13 29.0199 0.008 3 . . . . . . 117 E CB . 25003 1 562 . 1 1 117 117 GLU N N 15 116.524 0.013 10 . . . . . . 117 E N . 25003 1 563 . 1 1 118 118 SER H H 1 7.0301 0.003 12 . . . . . . 118 S HN . 25003 1 564 . 1 1 118 118 SER C C 13 176.2174 0.021 2 . . . . . . 118 S C . 25003 1 565 . 1 1 118 118 SER CA C 13 61.1089 0.013 6 . . . . . . 118 S CA . 25003 1 566 . 1 1 118 118 SER CB C 13 63.2689 0.004 3 . . . . . . 118 S CB . 25003 1 567 . 1 1 118 118 SER N N 15 116.16 0.007 12 . . . . . . 118 S N . 25003 1 568 . 1 1 119 119 LEU H H 1 7.7761 0.003 12 . . . . . . 119 L HN . 25003 1 569 . 1 1 119 119 LEU C C 13 177.3494 0.022 2 . . . . . . 119 L C . 25003 1 570 . 1 1 119 119 LEU CA C 13 58.4319 0.005 6 . . . . . . 119 L CA . 25003 1 571 . 1 1 119 119 LEU CB C 13 40.9689 0.026 3 . . . . . . 119 L CB . 25003 1 572 . 1 1 119 119 LEU N N 15 121.798 0.008 12 . . . . . . 119 L N . 25003 1 573 . 1 1 120 120 LYS H H 1 8.3861 0.003 11 . . . . . . 120 K HN . 25003 1 574 . 1 1 120 120 LYS C C 13 176.0434 0 0 . . . . . . 120 K C . 25003 1 575 . 1 1 120 120 LYS CA C 13 60.8599 0.023 6 . . . . . . 120 K CA . 25003 1 576 . 1 1 120 120 LYS CB C 13 32.3449 0.002 2 . . . . . . 120 K CB . 25003 1 577 . 1 1 120 120 LYS N N 15 118.37 0.007 11 . . . . . . 120 K N . 25003 1 578 . 1 1 121 121 LYS H H 1 7.6861 0.003 8 . . . . . . 121 K HN . 25003 1 579 . 1 1 121 121 LYS C C 13 179.8124 0.011 2 . . . . . . 121 K C . 25003 1 580 . 1 1 121 121 LYS CA C 13 60.1959 0.011 6 . . . . . . 121 K CA . 25003 1 581 . 1 1 121 121 LYS CB C 13 32.4519 0.009 3 . . . . . . 121 K CB . 25003 1 582 . 1 1 121 121 LYS N N 15 117.822 0.008 8 . . . . . . 121 K N . 25003 1 583 . 1 1 122 122 GLU H H 1 8.2201 0.002 12 . . . . . . 122 E HN . 25003 1 584 . 1 1 122 122 GLU C C 13 179.8434 0 1 . . . . . . 122 E C . 25003 1 585 . 1 1 122 122 GLU CA C 13 58.3779 0.004 4 . . . . . . 122 E CA . 25003 1 586 . 1 1 122 122 GLU CB C 13 29.2329 0.006 3 . . . . . . 122 E CB . 25003 1 587 . 1 1 122 122 GLU N N 15 118.835 0.015 12 . . . . . . 122 E N . 25003 1 588 . 1 1 123 123 LEU H H 1 8.2571 0.002 9 . . . . . . 123 L HN . 25003 1 589 . 1 1 123 123 LEU C C 13 179.5854 0 1 . . . . . . 123 L C . 25003 1 590 . 1 1 123 123 LEU CA C 13 57.3129 0.01 6 . . . . . . 123 L CA . 25003 1 591 . 1 1 123 123 LEU CB C 13 39.5469 0.002 3 . . . . . . 123 L CB . 25003 1 592 . 1 1 123 123 LEU N N 15 121.076 0.009 9 . . . . . . 123 L N . 25003 1 593 . 1 1 124 124 ARG H H 1 8.5471 0.003 13 . . . . . . 124 R HN . 25003 1 594 . 1 1 124 124 ARG C C 13 181.4954 0.017 3 . . . . . . 124 R C . 25003 1 595 . 1 1 124 124 ARG CA C 13 58.1819 0.012 6 . . . . . . 124 R CA . 25003 1 596 . 1 1 124 124 ARG CB C 13 28.7469 0.005 3 . . . . . . 124 R CB . 25003 1 597 . 1 1 124 124 ARG N N 15 120.704 0.018 13 . . . . . . 124 R N . 25003 1 598 . 1 1 125 125 LYS H H 1 7.6461 0.003 13 . . . . . . 125 K HN . 25003 1 599 . 1 1 125 125 LYS C C 13 178.7254 0.029 3 . . . . . . 125 K C . 25003 1 600 . 1 1 125 125 LYS CA C 13 59.4349 0.007 6 . . . . . . 125 K CA . 25003 1 601 . 1 1 125 125 LYS CB C 13 32.7839 0.005 3 . . . . . . 125 K CB . 25003 1 602 . 1 1 125 125 LYS N N 15 119.481 0.014 13 . . . . . . 125 K N . 25003 1 603 . 1 1 126 126 ILE H H 1 7.1741 0.003 13 . . . . . . 126 I HN . 25003 1 604 . 1 1 126 126 ILE C C 13 175.7614 0.024 3 . . . . . . 126 I C . 25003 1 605 . 1 1 126 126 ILE CA C 13 60.9759 0.006 6 . . . . . . 126 I CA . 25003 1 606 . 1 1 126 126 ILE CB C 13 38.3969 0.008 3 . . . . . . 126 I CB . 25003 1 607 . 1 1 126 126 ILE N N 15 111.067 0.011 13 . . . . . . 126 I N . 25003 1 608 . 1 1 127 127 GLY H H 1 7.5631 0.003 12 . . . . . . 127 G HN . 25003 1 609 . 1 1 127 127 GLY C C 13 173.2514 0.027 3 . . . . . . 127 G C . 25003 1 610 . 1 1 127 127 GLY CA C 13 44.7939 0.016 6 . . . . . . 127 G CA . 25003 1 611 . 1 1 127 127 GLY N N 15 108.443 0.02 12 . . . . . . 127 G N . 25003 1 612 . 1 1 128 128 ASP H H 1 7.8121 0.004 11 . . . . . . 128 D HN . 25003 1 613 . 1 1 128 128 ASP C C 13 175.7444 0.023 3 . . . . . . 128 D C . 25003 1 614 . 1 1 128 128 ASP CA C 13 52.5759 0.014 6 . . . . . . 128 D CA . 25003 1 615 . 1 1 128 128 ASP CB C 13 39.6699 0.01 3 . . . . . . 128 D CB . 25003 1 616 . 1 1 128 128 ASP N N 15 121.712 0.011 11 . . . . . . 128 D N . 25003 1 617 . 1 1 129 129 GLU H H 1 8.4391 0.002 12 . . . . . . 129 E HN . 25003 1 618 . 1 1 129 129 GLU C C 13 175.9304 0.024 2 . . . . . . 129 E C . 25003 1 619 . 1 1 129 129 GLU CA C 13 55.7589 0.021 6 . . . . . . 129 E CA . 25003 1 620 . 1 1 129 129 GLU CB C 13 30.0679 0.007 3 . . . . . . 129 E CB . 25003 1 621 . 1 1 129 129 GLU N N 15 124.274 0.007 12 . . . . . . 129 E N . 25003 1 622 . 1 1 130 130 VAL H H 1 8.7011 0.003 12 . . . . . . 130 V HN . 25003 1 623 . 1 1 130 130 VAL C C 13 176.3904 0.004 2 . . . . . . 130 V C . 25003 1 624 . 1 1 130 130 VAL CA C 13 64.2099 0.021 6 . . . . . . 130 V CA . 25003 1 625 . 1 1 130 130 VAL CB C 13 34.9129 0.01 3 . . . . . . 130 V CB . 25003 1 626 . 1 1 130 130 VAL N N 15 123.714 0.028 12 . . . . . . 130 V N . 25003 1 627 . 1 1 131 131 THR H H 1 9.8471 0.003 11 . . . . . . 131 T HN . 25003 1 628 . 1 1 131 131 THR C C 13 176.2314 0 1 . . . . . . 131 T C . 25003 1 629 . 1 1 131 131 THR CA C 13 65.2449 0.046 6 . . . . . . 131 T CA . 25003 1 630 . 1 1 131 131 THR CB C 13 66.4439 0.015 3 . . . . . . 131 T CB . 25003 1 631 . 1 1 131 131 THR N N 15 124.12 0.014 11 . . . . . . 131 T N . 25003 1 632 . 1 1 132 132 ASN H H 1 8.6471 0.003 11 . . . . . . 132 N HN . 25003 1 633 . 1 1 132 132 ASN C C 13 176.8874 0 0 . . . . . . 132 N C . 25003 1 634 . 1 1 132 132 ASN CA C 13 50.8759 0.004 2 . . . . . . 132 N CA . 25003 1 635 . 1 1 132 132 ASN CB C 13 40.0009 0 1 . . . . . . 132 N CB . 25003 1 636 . 1 1 132 132 ASN N N 15 124.775 0.01 11 . . . . . . 132 N N . 25003 1 637 . 1 1 133 133 PRO C C 13 175.0544 0 1 . . . . . . 133 P C . 25003 1 638 . 1 1 133 133 PRO CA C 13 63.6249 0.012 4 . . . . . . 133 P CA . 25003 1 639 . 1 1 133 133 PRO CB C 13 31.5189 0.013 2 . . . . . . 133 P CB . 25003 1 640 . 1 1 133 133 PRO N N 15 129.21 0 0 . . . . . . 133 P N . 25003 1 641 . 1 1 134 134 GLU H H 1 9.5891 0.004 11 . . . . . . 134 E HN . 25003 1 642 . 1 1 134 134 GLU C C 13 176.3164 0 1 . . . . . . 134 E C . 25003 1 643 . 1 1 134 134 GLU CA C 13 57.6319 0.021 6 . . . . . . 134 E CA . 25003 1 644 . 1 1 134 134 GLU CB C 13 34.5949 0.021 2 . . . . . . 134 E CB . 25003 1 645 . 1 1 134 134 GLU N N 15 124.396 0.011 11 . . . . . . 134 E N . 25003 1 646 . 1 1 135 135 ARG H H 1 8.8181 0.002 10 . . . . . . 135 R HN . 25003 1 647 . 1 1 135 135 ARG C C 13 176.3614 0.014 2 . . . . . . 135 R C . 25003 1 648 . 1 1 135 135 ARG CA C 13 55.3729 0.066 6 . . . . . . 135 R CA . 25003 1 649 . 1 1 135 135 ARG CB C 13 34.3719 0.023 3 . . . . . . 135 R CB . 25003 1 650 . 1 1 135 135 ARG N N 15 121.312 0.008 10 . . . . . . 135 R N . 25003 1 651 . 1 1 136 136 PHE H H 1 8.3131 0.031 12 . . . . . . 136 F HN . 25003 1 652 . 1 1 136 136 PHE C C 13 177.2504 0 2 . . . . . . 136 F C . 25003 1 653 . 1 1 136 136 PHE CA C 13 57.8339 0.009 6 . . . . . . 136 F CA . 25003 1 654 . 1 1 136 136 PHE CB C 13 39.7909 0.007 3 . . . . . . 136 F CB . 25003 1 655 . 1 1 136 136 PHE N N 15 116.518 0.061 12 . . . . . . 136 F N . 25003 1 656 . 1 1 137 137 GLU H H 1 9.5751 0.009 11 . . . . . . 137 E HN . 25003 1 657 . 1 1 137 137 GLU CA C 13 55.7269 0.004 2 . . . . . . 137 E CA . 25003 1 658 . 1 1 137 137 GLU CB C 13 39.7939 0 0 . . . . . . 137 E CB . 25003 1 659 . 1 1 137 137 GLU N N 15 117.8 0.051 11 . . . . . . 137 E N . 25003 1 660 . 1 1 138 138 PRO C C 13 178.2654 0 1 . . . . . . 138 P C . 25003 1 661 . 1 1 138 138 PRO CA C 13 63.3559 0.015 4 . . . . . . 138 P CA . 25003 1 662 . 1 1 138 138 PRO CB C 13 33.4709 0.017 2 . . . . . . 138 P CB . 25003 1 663 . 1 1 139 139 GLU H H 1 8.9591 0.005 12 . . . . . . 139 E HN . 25003 1 664 . 1 1 139 139 GLU C C 13 177.4194 0.006 2 . . . . . . 139 E C . 25003 1 665 . 1 1 139 139 GLU CA C 13 61.0959 0.015 6 . . . . . . 139 E CA . 25003 1 666 . 1 1 139 139 GLU CB C 13 28.9529 0.023 3 . . . . . . 139 E CB . 25003 1 667 . 1 1 139 139 GLU N N 15 129.918 0.02 12 . . . . . . 139 E N . 25003 1 668 . 1 1 140 140 LEU H H 1 7.9341 0.002 11 . . . . . . 140 L HN . 25003 1 669 . 1 1 140 140 LEU C C 13 175.2534 0 1 . . . . . . 140 L C . 25003 1 670 . 1 1 140 140 LEU CA C 13 57.3219 0.014 6 . . . . . . 140 L CA . 25003 1 671 . 1 1 140 140 LEU CB C 13 40.5599 0.007 2 . . . . . . 140 L CB . 25003 1 672 . 1 1 140 140 LEU N N 15 115.101 0.013 11 . . . . . . 140 L N . 25003 1 673 . 1 1 141 141 ASN H H 1 7.4271 0.004 12 . . . . . . 141 N HN . 25003 1 674 . 1 1 141 141 ASN C C 13 174.8624 0.007 2 . . . . . . 141 N C . 25003 1 675 . 1 1 141 141 ASN CA C 13 54.7159 0.025 6 . . . . . . 141 N CA . 25003 1 676 . 1 1 141 141 ASN CB C 13 40.9439 0.018 4 . . . . . . 141 N CB . 25003 1 677 . 1 1 141 141 ASN N N 15 115.627 0.013 12 . . . . . . 141 N N . 25003 1 678 . 1 1 142 142 GLU H H 1 7.9511 0.003 12 . . . . . . 142 E HN . 25003 1 679 . 1 1 142 142 GLU C C 13 174.8564 0.003 2 . . . . . . 142 E C . 25003 1 680 . 1 1 142 142 GLU CA C 13 55.2429 0.019 6 . . . . . . 142 E CA . 25003 1 681 . 1 1 142 142 GLU CB C 13 28.2559 0.003 3 . . . . . . 142 E CB . 25003 1 682 . 1 1 142 142 GLU N N 15 121.762 0.012 12 . . . . . . 142 E N . 25003 1 683 . 1 1 143 143 VAL H H 1 7.5531 0.002 12 . . . . . . 143 V HN . 25003 1 684 . 1 1 143 143 VAL C C 13 175.0334 0.016 3 . . . . . . 143 V C . 25003 1 685 . 1 1 143 143 VAL CA C 13 61.8619 0.006 6 . . . . . . 143 V CA . 25003 1 686 . 1 1 143 143 VAL CB C 13 34.6989 0.006 3 . . . . . . 143 V CB . 25003 1 687 . 1 1 143 143 VAL N N 15 128.967 0.015 12 . . . . . . 143 V N . 25003 1 688 . 1 1 144 144 ASN H H 1 8.4241 0.004 13 . . . . . . 144 N HN . 25003 1 689 . 1 1 144 144 ASN C C 13 172.4994 0 1 . . . . . . 144 N C . 25003 1 690 . 1 1 144 144 ASN CA C 13 50.8489 0.004 2 . . . . . . 144 N CA . 25003 1 691 . 1 1 144 144 ASN CB C 13 38.1639 0 1 . . . . . . 144 N CB . 25003 1 692 . 1 1 144 144 ASN N N 15 126.075 0.021 13 . . . . . . 144 N N . 25003 1 693 . 1 1 145 145 PRO C C 13 177.3584 0.003 2 . . . . . . 145 P C . 25003 1 694 . 1 1 145 145 PRO CA C 13 64.2499 0.006 4 . . . . . . 145 P CA . 25003 1 695 . 1 1 145 145 PRO CB C 13 31.2599 0.011 2 . . . . . . 145 P CB . 25003 1 696 . 1 1 146 146 GLY H H 1 8.3691 0.004 12 . . . . . . 146 G HN . 25003 1 697 . 1 1 146 146 GLY C C 13 174.5834 0 1 . . . . . . 146 G C . 25003 1 698 . 1 1 146 146 GLY CA C 13 45.0239 0.014 6 . . . . . . 146 G CA . 25003 1 699 . 1 1 146 146 GLY N N 15 114.021 0.022 12 . . . . . . 146 G N . 25003 1 700 . 1 1 147 147 GLU H H 1 7.7791 0.002 8 . . . . . . 147 E HN . 25003 1 701 . 1 1 147 147 GLU C C 13 177.1644 0.008 2 . . . . . . 147 E C . 25003 1 702 . 1 1 147 147 GLU CA C 13 55.8899 0.023 5 . . . . . . 147 E CA . 25003 1 703 . 1 1 147 147 GLU CB C 13 30.1739 0.005 3 . . . . . . 147 E CB . 25003 1 704 . 1 1 147 147 GLU N N 15 120.792 0.017 8 . . . . . . 147 E N . 25003 1 705 . 1 1 148 148 THR H H 1 8.2471 0.003 11 . . . . . . 148 T HN . 25003 1 706 . 1 1 148 148 THR C C 13 178.3814 0 1 . . . . . . 148 T C . 25003 1 707 . 1 1 148 148 THR CA C 13 61.0699 0.02 6 . . . . . . 148 T CA . 25003 1 708 . 1 1 148 148 THR CB C 13 69.5919 0.003 3 . . . . . . 148 T CB . 25003 1 709 . 1 1 148 148 THR N N 15 106.698 0.009 11 . . . . . . 148 T N . 25003 1 710 . 1 1 149 149 GLN H H 1 8.5611 0.003 12 . . . . . . 149 Q HN . 25003 1 711 . 1 1 149 149 GLN C C 13 172.9514 0.006 3 . . . . . . 149 Q C . 25003 1 712 . 1 1 149 149 GLN CA C 13 57.1329 0.008 6 . . . . . . 149 Q CA . 25003 1 713 . 1 1 149 149 GLN CB C 13 27.1419 0.004 3 . . . . . . 149 Q CB . 25003 1 714 . 1 1 149 149 GLN N N 15 131.238 0.014 12 . . . . . . 149 Q N . 25003 1 715 . 1 1 150 150 ASP H H 1 8.3211 0.003 12 . . . . . . 150 D HN . 25003 1 716 . 1 1 150 150 ASP C C 13 175.2144 0 1 . . . . . . 150 D C . 25003 1 717 . 1 1 150 150 ASP CA C 13 55.3989 0.008 6 . . . . . . 150 D CA . 25003 1 718 . 1 1 150 150 ASP CB C 13 41.0889 0.005 3 . . . . . . 150 D CB . 25003 1 719 . 1 1 150 150 ASP N N 15 114.105 0.011 12 . . . . . . 150 D N . 25003 1 720 . 1 1 151 151 THR H H 1 6.7061 0.004 12 . . . . . . 151 T HN . 25003 1 721 . 1 1 151 151 THR C C 13 175.5974 0.011 2 . . . . . . 151 T C . 25003 1 722 . 1 1 151 151 THR CA C 13 58.8739 0.011 6 . . . . . . 151 T CA . 25003 1 723 . 1 1 151 151 THR CB C 13 74.9199 0.004 3 . . . . . . 151 T CB . 25003 1 724 . 1 1 151 151 THR N N 15 101.183 0.01 12 . . . . . . 151 T N . 25003 1 725 . 1 1 152 152 SER H H 1 8.6771 0.004 12 . . . . . . 152 S HN . 25003 1 726 . 1 1 152 152 SER C C 13 172.5494 0.014 2 . . . . . . 152 S C . 25003 1 727 . 1 1 152 152 SER CA C 13 56.8949 0.014 6 . . . . . . 152 S CA . 25003 1 728 . 1 1 152 152 SER CB C 13 62.9369 0.009 3 . . . . . . 152 S CB . 25003 1 729 . 1 1 152 152 SER N N 15 112.084 0.014 12 . . . . . . 152 S N . 25003 1 730 . 1 1 153 153 THR H H 1 8.5911 0.004 13 . . . . . . 153 T HN . 25003 1 731 . 1 1 153 153 THR C C 13 173.6754 0.024 3 . . . . . . 153 T C . 25003 1 732 . 1 1 153 153 THR CA C 13 58.0459 0.008 6 . . . . . . 153 T CA . 25003 1 733 . 1 1 153 153 THR CB C 13 71.9339 0.011 3 . . . . . . 153 T CB . 25003 1 734 . 1 1 153 153 THR N N 15 110.11 0.013 13 . . . . . . 153 T N . 25003 1 735 . 1 1 154 154 ALA H H 1 9.9081 0.002 12 . . . . . . 154 A HN . 25003 1 736 . 1 1 154 154 ALA C C 13 178.6684 0.018 2 . . . . . . 154 A C . 25003 1 737 . 1 1 154 154 ALA CA C 13 55.8829 0.014 6 . . . . . . 154 A CA . 25003 1 738 . 1 1 154 154 ALA CB C 13 17.7139 0.006 3 . . . . . . 154 A CB . 25003 1 739 . 1 1 154 154 ALA N N 15 125.868 0.008 12 . . . . . . 154 A N . 25003 1 740 . 1 1 155 155 ARG H H 1 8.2101 0.003 13 . . . . . . 155 R HN . 25003 1 741 . 1 1 155 155 ARG C C 13 179.2754 0.016 3 . . . . . . 155 R C . 25003 1 742 . 1 1 155 155 ARG CA C 13 59.2359 0.007 6 . . . . . . 155 R CA . 25003 1 743 . 1 1 155 155 ARG CB C 13 31.4149 0.005 3 . . . . . . 155 R CB . 25003 1 744 . 1 1 155 155 ARG N N 15 116.189 0.01 13 . . . . . . 155 R N . 25003 1 745 . 1 1 156 156 ALA H H 1 7.8001 0.003 13 . . . . . . 156 A HN . 25003 1 746 . 1 1 156 156 ALA C C 13 179.5064 0.026 3 . . . . . . 156 A C . 25003 1 747 . 1 1 156 156 ALA CA C 13 55.2039 0.006 6 . . . . . . 156 A CA . 25003 1 748 . 1 1 156 156 ALA CB C 13 18.6259 0.006 3 . . . . . . 156 A CB . 25003 1 749 . 1 1 156 156 ALA N N 15 123.817 0.016 13 . . . . . . 156 A N . 25003 1 750 . 1 1 157 157 LEU H H 1 8.2551 0.003 12 . . . . . . 157 L HN . 25003 1 751 . 1 1 157 157 LEU C C 13 179.4904 0.005 2 . . . . . . 157 L C . 25003 1 752 . 1 1 157 157 LEU CA C 13 58.4849 0.027 6 . . . . . . 157 L CA . 25003 1 753 . 1 1 157 157 LEU CB C 13 42.2349 0.004 3 . . . . . . 157 L CB . 25003 1 754 . 1 1 157 157 LEU N N 15 116.91 0.016 12 . . . . . . 157 L N . 25003 1 755 . 1 1 158 158 VAL H H 1 7.6571 0.002 13 . . . . . . 158 V HN . 25003 1 756 . 1 1 158 158 VAL C C 13 177.0704 0.024 3 . . . . . . 158 V C . 25003 1 757 . 1 1 158 158 VAL CA C 13 67.4179 0.005 4 . . . . . . 158 V CA . 25003 1 758 . 1 1 158 158 VAL CB C 13 31.4729 0.025 3 . . . . . . 158 V CB . 25003 1 759 . 1 1 158 158 VAL N N 15 117.892 0.046 13 . . . . . . 158 V N . 25003 1 760 . 1 1 159 159 THR H H 1 7.8841 0.003 10 . . . . . . 159 T HN . 25003 1 761 . 1 1 159 159 THR C C 13 177.5484 0.031 2 . . . . . . 159 T C . 25003 1 762 . 1 1 159 159 THR CA C 13 67.3569 0.025 6 . . . . . . 159 T CA . 25003 1 763 . 1 1 159 159 THR CB C 13 68.4409 0.003 3 . . . . . . 159 T CB . 25003 1 764 . 1 1 159 159 THR N N 15 116.729 0.009 10 . . . . . . 159 T N . 25003 1 765 . 1 1 160 160 SER H H 1 8.7801 0.002 10 . . . . . . 160 S HN . 25003 1 766 . 1 1 160 160 SER C C 13 174.6294 0 1 . . . . . . 160 S C . 25003 1 767 . 1 1 160 160 SER CA C 13 62.4699 0.006 2 . . . . . . 160 S CA . 25003 1 768 . 1 1 160 160 SER CB C 13 63.0799 0.003 3 . . . . . . 160 S CB . 25003 1 769 . 1 1 160 160 SER N N 15 121.218 0.009 10 . . . . . . 160 S N . 25003 1 770 . 1 1 161 161 LEU H H 1 8.5711 0.003 10 . . . . . . 161 L HN . 25003 1 771 . 1 1 161 161 LEU C C 13 178.3704 0.02 3 . . . . . . 161 L C . 25003 1 772 . 1 1 161 161 LEU CA C 13 58.5069 0.007 6 . . . . . . 161 L CA . 25003 1 773 . 1 1 161 161 LEU CB C 13 41.5639 0.007 3 . . . . . . 161 L CB . 25003 1 774 . 1 1 161 161 LEU N N 15 122.667 0.014 10 . . . . . . 161 L N . 25003 1 775 . 1 1 162 162 ARG H H 1 8.6771 0.003 13 . . . . . . 162 R HN . 25003 1 776 . 1 1 162 162 ARG C C 13 177.6704 0.023 3 . . . . . . 162 R C . 25003 1 777 . 1 1 162 162 ARG CA C 13 60.0209 0.005 6 . . . . . . 162 R CA . 25003 1 778 . 1 1 162 162 ARG CB C 13 30.2669 0.008 3 . . . . . . 162 R CB . 25003 1 779 . 1 1 162 162 ARG N N 15 117.984 0.017 13 . . . . . . 162 R N . 25003 1 780 . 1 1 163 163 ALA H H 1 7.4681 0.003 13 . . . . . . 163 A HN . 25003 1 781 . 1 1 163 163 ALA C C 13 177.9524 0.014 4 . . . . . . 163 A C . 25003 1 782 . 1 1 163 163 ALA CA C 13 54.9889 0.007 6 . . . . . . 163 A CA . 25003 1 783 . 1 1 163 163 ALA CB C 13 18.1319 0.006 3 . . . . . . 163 A CB . 25003 1 784 . 1 1 163 163 ALA N N 15 121.188 0.016 13 . . . . . . 163 A N . 25003 1 785 . 1 1 164 164 PHE H H 1 7.0481 0.004 14 . . . . . . 164 F HN . 25003 1 786 . 1 1 164 164 PHE C C 13 175.7474 0.024 3 . . . . . . 164 F C . 25003 1 787 . 1 1 164 164 PHE CA C 13 60.7049 0.005 6 . . . . . . 164 F CA . 25003 1 788 . 1 1 164 164 PHE CB C 13 40.5069 0.014 3 . . . . . . 164 F CB . 25003 1 789 . 1 1 164 164 PHE N N 15 109.788 0.012 14 . . . . . . 164 F N . 25003 1 790 . 1 1 165 165 ALA H H 1 8.4151 0.003 11 . . . . . . 165 A HN . 25003 1 791 . 1 1 165 165 ALA C C 13 177.4344 0 2 . . . . . . 165 A C . 25003 1 792 . 1 1 165 165 ALA CA C 13 53.9759 0.009 6 . . . . . . 165 A CA . 25003 1 793 . 1 1 165 165 ALA CB C 13 20.6859 0.017 3 . . . . . . 165 A CB . 25003 1 794 . 1 1 165 165 ALA N N 15 114.995 0.011 11 . . . . . . 165 A N . 25003 1 795 . 1 1 166 166 LEU H H 1 8.1221 0.003 12 . . . . . . 166 L HN . 25003 1 796 . 1 1 166 166 LEU CA C 13 54.6139 0.006 4 . . . . . . 166 L CA . 25003 1 797 . 1 1 166 166 LEU CB C 13 45.4729 0.006 3 . . . . . . 166 L CB . 25003 1 798 . 1 1 166 166 LEU N N 15 112.736 0.009 12 . . . . . . 166 L N . 25003 1 799 . 1 1 167 167 GLU H H 1 7.0601 0.004 10 . . . . . . 167 E HN . 25003 1 800 . 1 1 167 167 GLU C C 13 175.0874 0.025 3 . . . . . . 167 E C . 25003 1 801 . 1 1 167 167 GLU CA C 13 55.7639 0.011 6 . . . . . . 167 E CA . 25003 1 802 . 1 1 167 167 GLU CB C 13 30.2899 0.007 3 . . . . . . 167 E CB . 25003 1 803 . 1 1 167 167 GLU N N 15 119.324 0.016 10 . . . . . . 167 E N . 25003 1 804 . 1 1 168 168 ASP H H 1 8.1551 0.005 12 . . . . . . 168 D HN . 25003 1 805 . 1 1 168 168 ASP C C 13 176.7724 0.032 2 . . . . . . 168 D C . 25003 1 806 . 1 1 168 168 ASP CA C 13 54.2109 0.006 6 . . . . . . 168 D CA . 25003 1 807 . 1 1 168 168 ASP CB C 13 40.0189 0.007 3 . . . . . . 168 D CB . 25003 1 808 . 1 1 168 168 ASP N N 15 118.003 0.021 12 . . . . . . 168 D N . 25003 1 809 . 1 1 169 169 LYS H H 1 7.1121 0.004 13 . . . . . . 169 K HN . 25003 1 810 . 1 1 169 169 LYS C C 13 177.0194 0.02 4 . . . . . . 169 K C . 25003 1 811 . 1 1 169 169 LYS CA C 13 58.1259 0.005 6 . . . . . . 169 K CA . 25003 1 812 . 1 1 169 169 LYS CB C 13 31.4639 0.007 3 . . . . . . 169 K CB . 25003 1 813 . 1 1 169 169 LYS N N 15 120.043 0.009 13 . . . . . . 169 K N . 25003 1 814 . 1 1 170 170 LEU H H 1 8.5021 0.003 14 . . . . . . 170 L HN . 25003 1 815 . 1 1 170 170 LEU C C 13 174.3514 0.016 2 . . . . . . 170 L C . 25003 1 816 . 1 1 170 170 LEU CA C 13 51.5279 0.003 2 . . . . . . 170 L CA . 25003 1 817 . 1 1 170 170 LEU CB C 13 44.2839 0 1 . . . . . . 170 L CB . 25003 1 818 . 1 1 170 170 LEU N N 15 118.721 0.016 14 . . . . . . 170 L N . 25003 1 819 . 1 1 171 171 PRO C C 13 178.6274 0 1 . . . . . . 171 P C . 25003 1 820 . 1 1 171 171 PRO CA C 13 62.0809 0.005 4 . . . . . . 171 P CA . 25003 1 821 . 1 1 171 171 PRO CB C 13 32.5829 0 2 . . . . . . 171 P CB . 25003 1 822 . 1 1 172 172 SER H H 1 9.0911 0.002 10 . . . . . . 172 S HN . 25003 1 823 . 1 1 172 172 SER C C 13 175.7464 0 1 . . . . . . 172 S C . 25003 1 824 . 1 1 172 172 SER CA C 13 62.8249 0.031 6 . . . . . . 172 S CA . 25003 1 825 . 1 1 172 172 SER N N 15 120.462 0.005 10 . . . . . . 172 S N . 25003 1 826 . 1 1 173 173 GLU H H 1 9.5831 0.002 11 . . . . . . 173 E HN . 25003 1 827 . 1 1 173 173 GLU C C 13 178.5094 0.024 3 . . . . . . 173 E C . 25003 1 828 . 1 1 173 173 GLU CA C 13 59.4769 0.007 4 . . . . . . 173 E CA . 25003 1 829 . 1 1 173 173 GLU CB C 13 28.4139 0.008 3 . . . . . . 173 E CB . 25003 1 830 . 1 1 173 173 GLU N N 15 119.572 0.013 11 . . . . . . 173 E N . 25003 1 831 . 1 1 174 174 LYS H H 1 7.2431 0.008 11 . . . . . . 174 K HN . 25003 1 832 . 1 1 174 174 LYS C C 13 177.2624 0.017 3 . . . . . . 174 K C . 25003 1 833 . 1 1 174 174 LYS CA C 13 58.9899 0.03 6 . . . . . . 174 K CA . 25003 1 834 . 1 1 174 174 LYS CB C 13 34.5259 0.014 3 . . . . . . 174 K CB . 25003 1 835 . 1 1 174 174 LYS N N 15 116.785 0.023 11 . . . . . . 174 K N . 25003 1 836 . 1 1 175 175 ARG H H 1 7.9231 0.003 13 . . . . . . 175 R HN . 25003 1 837 . 1 1 175 175 ARG C C 13 178.1594 0.026 3 . . . . . . 175 R C . 25003 1 838 . 1 1 175 175 ARG CA C 13 60.6259 0.005 6 . . . . . . 175 R CA . 25003 1 839 . 1 1 175 175 ARG CB C 13 30.5979 0.015 3 . . . . . . 175 R CB . 25003 1 840 . 1 1 175 175 ARG N N 15 120.704 0.014 13 . . . . . . 175 R N . 25003 1 841 . 1 1 176 176 GLU H H 1 8.0421 0.004 13 . . . . . . 176 E HN . 25003 1 842 . 1 1 176 176 GLU C C 13 178.8234 0.015 3 . . . . . . 176 E C . 25003 1 843 . 1 1 176 176 GLU CA C 13 59.0019 0.024 6 . . . . . . 176 E CA . 25003 1 844 . 1 1 176 176 GLU CB C 13 29.3999 0.008 3 . . . . . . 176 E CB . 25003 1 845 . 1 1 176 176 GLU N N 15 114.699 0.013 13 . . . . . . 176 E N . 25003 1 846 . 1 1 177 177 LEU H H 1 6.6351 0.005 13 . . . . . . 177 L HN . 25003 1 847 . 1 1 177 177 LEU C C 13 176.8574 0.017 3 . . . . . . 177 L C . 25003 1 848 . 1 1 177 177 LEU CA C 13 57.1689 0.006 6 . . . . . . 177 L CA . 25003 1 849 . 1 1 177 177 LEU CB C 13 41.2059 0.006 3 . . . . . . 177 L CB . 25003 1 850 . 1 1 177 177 LEU N N 15 119.25 0.009 13 . . . . . . 177 L N . 25003 1 851 . 1 1 178 178 LEU H H 1 6.8081 0.003 12 . . . . . . 178 L HN . 25003 1 852 . 1 1 178 178 LEU C C 13 177.6954 0.026 2 . . . . . . 178 L C . 25003 1 853 . 1 1 178 178 LEU CA C 13 58.5549 0.006 6 . . . . . . 178 L CA . 25003 1 854 . 1 1 178 178 LEU CB C 13 42.3199 0.008 2 . . . . . . 178 L CB . 25003 1 855 . 1 1 178 178 LEU N N 15 117.918 0.011 12 . . . . . . 178 L N . 25003 1 856 . 1 1 179 179 ILE H H 1 8.1191 0.002 11 . . . . . . 179 I HN . 25003 1 857 . 1 1 179 179 ILE C C 13 177.4024 0.006 2 . . . . . . 179 I C . 25003 1 858 . 1 1 179 179 ILE CA C 13 65.2539 0.007 6 . . . . . . 179 I CA . 25003 1 859 . 1 1 179 179 ILE CB C 13 38.0639 0.004 3 . . . . . . 179 I CB . 25003 1 860 . 1 1 179 179 ILE N N 15 115.666 0.018 11 . . . . . . 179 I N . 25003 1 861 . 1 1 180 180 ASP H H 1 7.8491 0.007 13 . . . . . . 180 D HN . 25003 1 862 . 1 1 180 180 ASP C C 13 178.9354 0.037 3 . . . . . . 180 D C . 25003 1 863 . 1 1 180 180 ASP CA C 13 58.1119 0.006 6 . . . . . . 180 D CA . 25003 1 864 . 1 1 180 180 ASP CB C 13 41.4859 0.005 3 . . . . . . 180 D CB . 25003 1 865 . 1 1 180 180 ASP N N 15 119.861 0.017 13 . . . . . . 180 D N . 25003 1 866 . 1 1 181 181 TRP H H 1 7.9811 0.004 13 . . . . . . 181 W HN . 25003 1 867 . 1 1 181 181 TRP C C 13 177.6014 0.017 3 . . . . . . 181 W C . 25003 1 868 . 1 1 181 181 TRP CA C 13 60.7479 0.012 6 . . . . . . 181 W CA . 25003 1 869 . 1 1 181 181 TRP CB C 13 29.7069 0.007 3 . . . . . . 181 W CB . 25003 1 870 . 1 1 181 181 TRP N N 15 117.587 0.025 13 . . . . . . 181 W N . 25003 1 871 . 1 1 182 182 MET H H 1 7.6961 0.003 13 . . . . . . 182 M HN . 25003 1 872 . 1 1 182 182 MET C C 13 178.7024 0.019 3 . . . . . . 182 M C . 25003 1 873 . 1 1 182 182 MET CA C 13 58.4519 0.018 6 . . . . . . 182 M CA . 25003 1 874 . 1 1 182 182 MET CB C 13 35.2999 0.023 3 . . . . . . 182 M CB . 25003 1 875 . 1 1 182 182 MET N N 15 114.375 0.021 13 . . . . . . 182 M N . 25003 1 876 . 1 1 183 183 LYS H H 1 8.6321 0.005 13 . . . . . . 183 K HN . 25003 1 877 . 1 1 183 183 LYS C C 13 178.5394 0.008 3 . . . . . . 183 K C . 25003 1 878 . 1 1 183 183 LYS CA C 13 59.2179 0.02 6 . . . . . . 183 K CA . 25003 1 879 . 1 1 183 183 LYS CB C 13 33.9439 0.009 3 . . . . . . 183 K CB . 25003 1 880 . 1 1 183 183 LYS N N 15 121.581 0.015 13 . . . . . . 183 K N . 25003 1 881 . 1 1 184 184 ARG H H 1 7.6691 0.005 13 . . . . . . 184 R HN . 25003 1 882 . 1 1 184 184 ARG C C 13 175.5674 0.016 3 . . . . . . 184 R C . 25003 1 883 . 1 1 184 184 ARG CA C 13 55.7039 0.01 4 . . . . . . 184 R CA . 25003 1 884 . 1 1 184 184 ARG CB C 13 29.6529 0.008 3 . . . . . . 184 R CB . 25003 1 885 . 1 1 184 184 ARG N N 15 118.87 0.019 13 . . . . . . 184 R N . 25003 1 886 . 1 1 185 185 ASN H H 1 7.5271 0.002 10 . . . . . . 185 N HN . 25003 1 887 . 1 1 185 185 ASN C C 13 175.9434 0.006 2 . . . . . . 185 N C . 25003 1 888 . 1 1 185 185 ASN CA C 13 54.4509 0.011 6 . . . . . . 185 N CA . 25003 1 889 . 1 1 185 185 ASN CB C 13 39.2879 0.007 3 . . . . . . 185 N CB . 25003 1 890 . 1 1 185 185 ASN N N 15 120.165 0.017 10 . . . . . . 185 N N . 25003 1 891 . 1 1 186 186 THR H H 1 8.4651 0.002 11 . . . . . . 186 T HN . 25003 1 892 . 1 1 186 186 THR CA C 13 60.8149 0.021 4 . . . . . . 186 T CA . 25003 1 893 . 1 1 186 186 THR CB C 13 69.8699 0.063 3 . . . . . . 186 T CB . 25003 1 894 . 1 1 186 186 THR N N 15 118.145 0.008 11 . . . . . . 186 T N . 25003 1 895 . 1 1 187 187 THR H H 1 8.0751 0.003 8 . . . . . . 187 T HN . 25003 1 896 . 1 1 187 187 THR CA C 13 60.3759 0.01 2 . . . . . . 187 T CA . 25003 1 897 . 1 1 187 187 THR CB C 13 69.9589 0 1 . . . . . . 187 T CB . 25003 1 898 . 1 1 187 187 THR N N 15 119.345 0.048 8 . . . . . . 187 T N . 25003 1 899 . 1 1 188 188 PRO C C 13 177.8624 0 1 . . . . . . 188 P C . 25003 1 900 . 1 1 188 188 PRO CA C 13 64.1929 0.013 4 . . . . . . 188 P CA . 25003 1 901 . 1 1 188 188 PRO CB C 13 31.6489 0.002 2 . . . . . . 188 P CB . 25003 1 902 . 1 1 189 189 GLY H H 1 8.7701 0.003 10 . . . . . . 189 G HN . 25003 1 903 . 1 1 189 189 GLY C C 13 175.3714 0 1 . . . . . . 189 G C . 25003 1 904 . 1 1 189 189 GLY CA C 13 45.5419 0.015 6 . . . . . . 189 G CA . 25003 1 905 . 1 1 189 189 GLY N N 15 112.884 0.036 10 . . . . . . 189 G N . 25003 1 906 . 1 1 190 190 GLY H H 1 8.1661 0.002 9 . . . . . . 190 G HN . 25003 1 907 . 1 1 190 190 GLY C C 13 174.0814 0.009 3 . . . . . . 190 G C . 25003 1 908 . 1 1 190 190 GLY CA C 13 46.2079 0.012 6 . . . . . . 190 G CA . 25003 1 909 . 1 1 190 190 GLY N N 15 108.597 0.011 9 . . . . . . 190 G N . 25003 1 910 . 1 1 191 191 ASP H H 1 8.2931 0.003 11 . . . . . . 191 D HN . 25003 1 911 . 1 1 191 191 ASP C C 13 175.5174 0.014 2 . . . . . . 191 D C . 25003 1 912 . 1 1 191 191 ASP CA C 13 54.4519 0.017 4 . . . . . . 191 D CA . 25003 1 913 . 1 1 191 191 ASP CB C 13 40.5889 0.011 3 . . . . . . 191 D CB . 25003 1 914 . 1 1 191 191 ASP N N 15 119.11 0.019 11 . . . . . . 191 D N . 25003 1 915 . 1 1 192 192 ALA H H 1 7.8211 0.004 10 . . . . . . 192 A HN . 25003 1 916 . 1 1 192 192 ALA C C 13 175.3874 0 1 . . . . . . 192 A C . 25003 1 917 . 1 1 192 192 ALA CA C 13 51.8879 0.016 6 . . . . . . 192 A CA . 25003 1 918 . 1 1 192 192 ALA CB C 13 19.9879 0.008 3 . . . . . . 192 A CB . 25003 1 919 . 1 1 192 192 ALA N N 15 123.047 0.012 10 . . . . . . 192 A N . 25003 1 920 . 1 1 193 193 LEU H H 1 7.0571 0.005 11 . . . . . . 193 L HN . 25003 1 921 . 1 1 193 193 LEU C C 13 175.0944 0 1 . . . . . . 193 L C . 25003 1 922 . 1 1 193 193 LEU CA C 13 54.6609 0.1 5 . . . . . . 193 L CA . 25003 1 923 . 1 1 193 193 LEU CB C 13 40.6629 0.039 3 . . . . . . 193 L CB . 25003 1 924 . 1 1 193 193 LEU N N 15 119.438 0.044 11 . . . . . . 193 L N . 25003 1 925 . 1 1 194 194 ILE H H 1 7.8971 0.004 9 . . . . . . 194 I HN . 25003 1 926 . 1 1 194 194 ILE CA C 13 65.0889 0.002 2 . . . . . . 194 I CA . 25003 1 927 . 1 1 194 194 ILE CB C 13 37.8899 0 1 . . . . . . 194 I CB . 25003 1 928 . 1 1 194 194 ILE N N 15 125.053 0.039 9 . . . . . . 194 I N . 25003 1 929 . 1 1 195 195 ARG H H 1 8.571 0.004 9 . . . . . . 195 R HN . 25003 1 930 . 1 1 195 195 ARG C C 13 176.932 0.003 2 . . . . . . 195 R C . 25003 1 931 . 1 1 195 195 ARG CA C 13 59.705 0.062 6 . . . . . . 195 R CA . 25003 1 932 . 1 1 195 195 ARG CB C 13 30.162 0.052 3 . . . . . . 195 R CB . 25003 1 933 . 1 1 195 195 ARG N N 15 115.573 0.022 10 . . . . . . 195 R N . 25003 1 934 . 1 1 196 196 ALA H H 1 7.0251 0.004 7 . . . . . . 196 A HN . 25003 1 935 . 1 1 196 196 ALA C C 13 178.1094 0.012 2 . . . . . . 196 A C . 25003 1 936 . 1 1 196 196 ALA CA C 13 52.5209 0.01 6 . . . . . . 196 A CA . 25003 1 937 . 1 1 196 196 ALA CB C 13 18.5399 0.01 3 . . . . . . 196 A CB . 25003 1 938 . 1 1 196 196 ALA N N 15 118.441 0.017 7 . . . . . . 196 A N . 25003 1 939 . 1 1 197 197 GLY H H 1 8.0471 0.004 10 . . . . . . 197 G HN . 25003 1 940 . 1 1 197 197 GLY CA C 13 44.9369 0.023 4 . . . . . . 197 G CA . 25003 1 941 . 1 1 197 197 GLY N N 15 106.087 0.012 10 . . . . . . 197 G N . 25003 1 942 . 1 1 198 198 VAL H H 1 6.6041 0.008 6 . . . . . . 198 V HN . 25003 1 943 . 1 1 198 198 VAL CA C 13 58.0709 0.006 2 . . . . . . 198 V CA . 25003 1 944 . 1 1 198 198 VAL CB C 13 31.9859 0 1 . . . . . . 198 V CB . 25003 1 945 . 1 1 198 198 VAL N N 15 113.67 0.05 6 . . . . . . 198 V N . 25003 1 946 . 1 1 199 199 PRO C C 13 175.4794 0 1 . . . . . . 199 P C . 25003 1 947 . 1 1 199 199 PRO CA C 13 62.2319 0.017 4 . . . . . . 199 P CA . 25003 1 948 . 1 1 199 199 PRO CB C 13 31.2809 0 1 . . . . . . 199 P CB . 25003 1 949 . 1 1 200 200 ASP H H 1 7.9911 0.009 11 . . . . . . 200 D HN . 25003 1 950 . 1 1 200 200 ASP C C 13 177.5314 0.011 2 . . . . . . 200 D C . 25003 1 951 . 1 1 200 200 ASP CA C 13 55.7809 0.009 6 . . . . . . 200 D CA . 25003 1 952 . 1 1 200 200 ASP CB C 13 41.0049 0.005 3 . . . . . . 200 D CB . 25003 1 953 . 1 1 200 200 ASP N N 15 120.748 0.034 11 . . . . . . 200 D N . 25003 1 954 . 1 1 201 201 GLY H H 1 8.6791 0.004 10 . . . . . . 201 G HN . 25003 1 955 . 1 1 201 201 GLY C C 13 174.8794 0 1 . . . . . . 201 G C . 25003 1 956 . 1 1 201 201 GLY CA C 13 45.3589 0.019 6 . . . . . . 201 G CA . 25003 1 957 . 1 1 201 201 GLY N N 15 111.844 0.027 10 . . . . . . 201 G N . 25003 1 958 . 1 1 202 202 TRP H H 1 7.7751 0.006 10 . . . . . . 202 W HN . 25003 1 959 . 1 1 202 202 TRP C C 13 175.8994 0.003 2 . . . . . . 202 W C . 25003 1 960 . 1 1 202 202 TRP CA C 13 57.4669 0.016 6 . . . . . . 202 W CA . 25003 1 961 . 1 1 202 202 TRP CB C 13 27.9839 0.005 3 . . . . . . 202 W CB . 25003 1 962 . 1 1 202 202 TRP N N 15 123.501 0.018 10 . . . . . . 202 W N . 25003 1 963 . 1 1 203 203 GLU H H 1 8.5331 0.006 12 . . . . . . 203 E HN . 25003 1 964 . 1 1 203 203 GLU C C 13 175.7964 0.009 3 . . . . . . 203 E C . 25003 1 965 . 1 1 203 203 GLU CA C 13 56.7169 0.02 6 . . . . . . 203 E CA . 25003 1 966 . 1 1 203 203 GLU CB C 13 32.3159 0.005 3 . . . . . . 203 E CB . 25003 1 967 . 1 1 203 203 GLU N N 15 124.039 0.016 12 . . . . . . 203 E N . 25003 1 968 . 1 1 204 204 VAL H H 1 8.6071 0.003 13 . . . . . . 204 V HN . 25003 1 969 . 1 1 204 204 VAL C C 13 173.8954 0.004 2 . . . . . . 204 V C . 25003 1 970 . 1 1 204 204 VAL CA C 13 61.4169 0.01 6 . . . . . . 204 V CA . 25003 1 971 . 1 1 204 204 VAL CB C 13 35.9529 0.006 3 . . . . . . 204 V CB . 25003 1 972 . 1 1 204 204 VAL N N 15 122.544 0.016 13 . . . . . . 204 V N . 25003 1 973 . 1 1 205 205 ALA H H 1 9.3611 0.002 12 . . . . . . 205 A HN . 25003 1 974 . 1 1 205 205 ALA C C 13 175.1484 0.007 2 . . . . . . 205 A C . 25003 1 975 . 1 1 205 205 ALA CA C 13 50.1289 0.01 6 . . . . . . 205 A CA . 25003 1 976 . 1 1 205 205 ALA CB C 13 21.7589 0.009 3 . . . . . . 205 A CB . 25003 1 977 . 1 1 205 205 ALA N N 15 130.781 0.012 12 . . . . . . 205 A N . 25003 1 978 . 1 1 206 206 ASP H H 1 8.5661 0.005 12 . . . . . . 206 D HN . 25003 1 979 . 1 1 206 206 ASP C C 13 172.6174 0.002 2 . . . . . . 206 D C . 25003 1 980 . 1 1 206 206 ASP CA C 13 53.1889 0.009 6 . . . . . . 206 D CA . 25003 1 981 . 1 1 206 206 ASP CB C 13 44.4939 0.02 3 . . . . . . 206 D CB . 25003 1 982 . 1 1 206 206 ASP N N 15 122.938 0.015 12 . . . . . . 206 D N . 25003 1 983 . 1 1 207 207 LYS H H 1 8.4571 0.002 11 . . . . . . 207 K HN . 25003 1 984 . 1 1 207 207 LYS C C 13 173.9344 0 1 . . . . . . 207 K C . 25003 1 985 . 1 1 207 207 LYS CA C 13 54.9979 0.033 6 . . . . . . 207 K CA . 25003 1 986 . 1 1 207 207 LYS CB C 13 34.3239 0.018 3 . . . . . . 207 K CB . 25003 1 987 . 1 1 207 207 LYS N N 15 116.619 0.012 11 . . . . . . 207 K N . 25003 1 988 . 1 1 208 208 THR H H 1 8.0281 0.003 11 . . . . . . 208 T HN . 25003 1 989 . 1 1 208 208 THR CA C 13 60.4909 0.013 6 . . . . . . 208 T CA . 25003 1 990 . 1 1 208 208 THR CB C 13 72.0229 0.009 3 . . . . . . 208 T CB . 25003 1 991 . 1 1 208 208 THR N N 15 116.556 0.008 11 . . . . . . 208 T N . 25003 1 992 . 1 1 209 209 GLY H H 1 8.4211 0.005 9 . . . . . . 209 G HN . 25003 1 993 . 1 1 209 209 GLY CA C 13 46.6079 0.018 5 . . . . . . 209 G CA . 25003 1 994 . 1 1 209 209 GLY N N 15 103.082 0.039 9 . . . . . . 209 G N . 25003 1 995 . 1 1 210 210 ALA H H 1 9.2401 0.01 7 . . . . . . 210 A HN . 25003 1 996 . 1 1 210 210 ALA C C 13 175.0684 0 1 . . . . . . 210 A C . 25003 1 997 . 1 1 210 210 ALA CA C 13 51.8229 0.084 4 . . . . . . 210 A CA . 25003 1 998 . 1 1 210 210 ALA CB C 13 22.9589 0.013 3 . . . . . . 210 A CB . 25003 1 999 . 1 1 210 210 ALA N N 15 128.503 0.033 7 . . . . . . 210 A N . 25003 1 1000 . 1 1 211 211 ALA H H 1 8.8271 0.004 10 . . . . . . 211 A HN . 25003 1 1001 . 1 1 211 211 ALA C C 13 176.4744 0.003 2 . . . . . . 211 A C . 25003 1 1002 . 1 1 211 211 ALA CA C 13 51.2999 0.018 6 . . . . . . 211 A CA . 25003 1 1003 . 1 1 211 211 ALA CB C 13 21.9589 0.009 3 . . . . . . 211 A CB . 25003 1 1004 . 1 1 211 211 ALA N N 15 124.356 0.016 10 . . . . . . 211 A N . 25003 1 1005 . 1 1 212 212 SER H H 1 7.9231 0.004 12 . . . . . . 212 S HN . 25003 1 1006 . 1 1 212 212 SER C C 13 173.6904 0.031 2 . . . . . . 212 S C . 25003 1 1007 . 1 1 212 212 SER CA C 13 59.5639 0.081 7 . . . . . . 212 S CA . 25003 1 1008 . 1 1 212 212 SER CB C 13 63.9429 0.02 3 . . . . . . 212 S CB . 25003 1 1009 . 1 1 212 212 SER N N 15 113.932 0.008 12 . . . . . . 212 S N . 25003 1 1010 . 1 1 213 213 TYR H H 1 8.7961 0.006 11 . . . . . . 213 Y HN . 25003 1 1011 . 1 1 213 213 TYR C C 13 175.8504 0.032 2 . . . . . . 213 Y C . 25003 1 1012 . 1 1 213 213 TYR CA C 13 59.3009 0.011 4 . . . . . . 213 Y CA . 25003 1 1013 . 1 1 213 213 TYR CB C 13 33.4789 0.007 3 . . . . . . 213 Y CB . 25003 1 1014 . 1 1 213 213 TYR N N 15 115.721 0.009 11 . . . . . . 213 Y N . 25003 1 1015 . 1 1 214 214 GLY H H 1 8.8981 0.004 12 . . . . . . 214 G HN . 25003 1 1016 . 1 1 214 214 GLY C C 13 173.3294 0.035 3 . . . . . . 214 G C . 25003 1 1017 . 1 1 214 214 GLY CA C 13 48.0489 0.024 6 . . . . . . 214 G CA . 25003 1 1018 . 1 1 214 214 GLY N N 15 105.52 0.015 12 . . . . . . 214 G N . 25003 1 1019 . 1 1 215 215 THR H H 1 7.3041 0.004 10 . . . . . . 215 T HN . 25003 1 1020 . 1 1 215 215 THR C C 13 174.3164 0.018 2 . . . . . . 215 T C . 25003 1 1021 . 1 1 215 215 THR CA C 13 63.5029 0.038 6 . . . . . . 215 T CA . 25003 1 1022 . 1 1 215 215 THR CB C 13 69.5489 0.005 3 . . . . . . 215 T CB . 25003 1 1023 . 1 1 215 215 THR N N 15 117.583 0.017 10 . . . . . . 215 T N . 25003 1 1024 . 1 1 216 216 ARG H H 1 7.9421 0.005 12 . . . . . . 216 R HN . 25003 1 1025 . 1 1 216 216 ARG C C 13 172.8034 0.014 2 . . . . . . 216 R C . 25003 1 1026 . 1 1 216 216 ARG CA C 13 53.8869 0.017 6 . . . . . . 216 R CA . 25003 1 1027 . 1 1 216 216 ARG CB C 13 32.8249 0.029 3 . . . . . . 216 R CB . 25003 1 1028 . 1 1 216 216 ARG N N 15 128.333 0.011 12 . . . . . . 216 R N . 25003 1 1029 . 1 1 217 217 ASN H H 1 8.0871 0.015 12 . . . . . . 217 N HN . 25003 1 1030 . 1 1 217 217 ASN C C 13 175.2414 0.041 2 . . . . . . 217 N C . 25003 1 1031 . 1 1 217 217 ASN CA C 13 50.5889 0.009 6 . . . . . . 217 N CA . 25003 1 1032 . 1 1 217 217 ASN CB C 13 45.7789 0.009 3 . . . . . . 217 N CB . 25003 1 1033 . 1 1 217 217 ASN N N 15 122.916 0.023 12 . . . . . . 217 N N . 25003 1 1034 . 1 1 218 218 ASP H H 1 9.1261 0.005 12 . . . . . . 218 D HN . 25003 1 1035 . 1 1 218 218 ASP C C 13 173.0374 0.02 2 . . . . . . 218 D C . 25003 1 1036 . 1 1 218 218 ASP CA C 13 53.5829 0.014 6 . . . . . . 218 D CA . 25003 1 1037 . 1 1 218 218 ASP CB C 13 42.8819 0.008 3 . . . . . . 218 D CB . 25003 1 1038 . 1 1 218 218 ASP N N 15 118.808 0.006 12 . . . . . . 218 D N . 25003 1 1039 . 1 1 219 219 ILE H H 1 8.0571 0.004 12 . . . . . . 219 I HN . 25003 1 1040 . 1 1 219 219 ILE C C 13 173.5464 0 1 . . . . . . 219 I C . 25003 1 1041 . 1 1 219 219 ILE CA C 13 58.7259 0.058 6 . . . . . . 219 I CA . 25003 1 1042 . 1 1 219 219 ILE CB C 13 40.4949 0.003 3 . . . . . . 219 I CB . 25003 1 1043 . 1 1 219 219 ILE N N 15 120.313 0.015 12 . . . . . . 219 I N . 25003 1 1044 . 1 1 220 220 ALA H H 1 9.4831 0.003 14 . . . . . . 220 A HN . 25003 1 1045 . 1 1 220 220 ALA C C 13 174.8854 0.016 3 . . . . . . 220 A C . 25003 1 1046 . 1 1 220 220 ALA CA C 13 50.9219 0.014 6 . . . . . . 220 A CA . 25003 1 1047 . 1 1 220 220 ALA CB C 13 26.9739 0.007 3 . . . . . . 220 A CB . 25003 1 1048 . 1 1 220 220 ALA N N 15 123.754 0.012 14 . . . . . . 220 A N . 25003 1 1049 . 1 1 221 221 ILE H H 1 8.9501 0.003 12 . . . . . . 221 I HN . 25003 1 1050 . 1 1 221 221 ILE C C 13 173.9484 0.023 3 . . . . . . 221 I C . 25003 1 1051 . 1 1 221 221 ILE CA C 13 60.6179 0.011 6 . . . . . . 221 I CA . 25003 1 1052 . 1 1 221 221 ILE CB C 13 40.0289 0.007 3 . . . . . . 221 I CB . 25003 1 1053 . 1 1 221 221 ILE N N 15 119.158 0.008 12 . . . . . . 221 I N . 25003 1 1054 . 1 1 222 222 ILE H H 1 9.0021 0.003 13 . . . . . . 222 I HN . 25003 1 1055 . 1 1 222 222 ILE C C 13 174.7954 0.013 2 . . . . . . 222 I C . 25003 1 1056 . 1 1 222 222 ILE CA C 13 59.2309 0.012 6 . . . . . . 222 I CA . 25003 1 1057 . 1 1 222 222 ILE CB C 13 42.1439 0.01 3 . . . . . . 222 I CB . 25003 1 1058 . 1 1 222 222 ILE N N 15 125.035 0.053 13 . . . . . . 222 I N . 25003 1 1059 . 1 1 223 223 TRP H H 1 9.5321 0.003 13 . . . . . . 223 W HN . 25003 1 1060 . 1 1 223 223 TRP C C 13 173.7174 0.006 2 . . . . . . 223 W C . 25003 1 1061 . 1 1 223 223 TRP CA C 13 56.5529 0.005 2 . . . . . . 223 W CA . 25003 1 1062 . 1 1 223 223 TRP CB C 13 30.8799 0 1 . . . . . . 223 W CB . 25003 1 1063 . 1 1 223 223 TRP N N 15 127.673 0.019 13 . . . . . . 223 W N . 25003 1 1064 . 1 1 224 224 PRO CA C 13 61.4239 0 0 . . . . . . 224 P CA . 25003 1 1065 . 1 1 224 224 PRO CB C 13 36.0229 0 0 . . . . . . 224 P CB . 25003 1 1066 . 1 1 224 224 PRO N N 15 122.551 0 0 . . . . . . 224 P N . 25003 1 1067 . 1 1 225 225 PRO C C 13 177.2224 0 1 . . . . . . 225 P C . 25003 1 1068 . 1 1 225 225 PRO CA C 13 64.4379 0.011 4 . . . . . . 225 P CA . 25003 1 1069 . 1 1 225 225 PRO CB C 13 31.2589 0.016 2 . . . . . . 225 P CB . 25003 1 1070 . 1 1 226 226 LYS H H 1 7.7101 0.011 12 . . . . . . 226 K HN . 25003 1 1071 . 1 1 226 226 LYS C C 13 175.4624 0.005 2 . . . . . . 226 K C . 25003 1 1072 . 1 1 226 226 LYS CA C 13 56.0469 0.037 4 . . . . . . 226 K CA . 25003 1 1073 . 1 1 226 226 LYS CB C 13 32.7859 0.087 3 . . . . . . 226 K CB . 25003 1 1074 . 1 1 226 226 LYS N N 15 116.33 0.067 12 . . . . . . 226 K N . 25003 1 1075 . 1 1 227 227 GLY H H 1 7.9261 0.006 11 . . . . . . 227 G HN . 25003 1 1076 . 1 1 227 227 GLY C C 13 172.8894 0.016 2 . . . . . . 227 G C . 25003 1 1077 . 1 1 227 227 GLY CA C 13 43.8879 0.012 6 . . . . . . 227 G CA . 25003 1 1078 . 1 1 227 227 GLY N N 15 109.277 0.078 11 . . . . . . 227 G N . 25003 1 1079 . 1 1 228 228 ASP H H 1 7.9521 0.003 10 . . . . . . 228 D HN . 25003 1 1080 . 1 1 228 228 ASP C C 13 174.2684 0 1 . . . . . . 228 D C . 25003 1 1081 . 1 1 228 228 ASP CA C 13 53.0059 0.011 2 . . . . . . 228 D CA . 25003 1 1082 . 1 1 228 228 ASP CB C 13 41.2769 0 1 . . . . . . 228 D CB . 25003 1 1083 . 1 1 228 228 ASP N N 15 120.3 0.017 10 . . . . . . 228 D N . 25003 1 1084 . 1 1 229 229 PRO C C 13 176.8894 0 1 . . . . . . 229 P C . 25003 1 1085 . 1 1 229 229 PRO CA C 13 62.3519 0.004 4 . . . . . . 229 P CA . 25003 1 1086 . 1 1 229 229 PRO CB C 13 32.1429 0.008 2 . . . . . . 229 P CB . 25003 1 1087 . 1 1 230 230 VAL H H 1 9.0881 0.003 13 . . . . . . 230 V HN . 25003 1 1088 . 1 1 230 230 VAL C C 13 174.3694 0.01 4 . . . . . . 230 V C . 25003 1 1089 . 1 1 230 230 VAL CA C 13 60.0199 0.007 4 . . . . . . 230 V CA . 25003 1 1090 . 1 1 230 230 VAL CB C 13 34.6999 0.015 3 . . . . . . 230 V CB . 25003 1 1091 . 1 1 230 230 VAL N N 15 122.989 0.032 13 . . . . . . 230 V N . 25003 1 1092 . 1 1 231 231 VAL H H 1 8.7371 0.003 12 . . . . . . 231 V HN . 25003 1 1093 . 1 1 231 231 VAL C C 13 173.7684 0.018 3 . . . . . . 231 V C . 25003 1 1094 . 1 1 231 231 VAL CA C 13 60.3139 0.039 6 . . . . . . 231 V CA . 25003 1 1095 . 1 1 231 231 VAL CB C 13 32.3699 0.003 3 . . . . . . 231 V CB . 25003 1 1096 . 1 1 231 231 VAL N N 15 126.671 0.018 12 . . . . . . 231 V N . 25003 1 1097 . 1 1 232 232 LEU H H 1 9.2411 0.003 12 . . . . . . 232 L HN . 25003 1 1098 . 1 1 232 232 LEU C C 13 172.6204 0.021 2 . . . . . . 232 L C . 25003 1 1099 . 1 1 232 232 LEU CA C 13 54.3429 0.01 6 . . . . . . 232 L CA . 25003 1 1100 . 1 1 232 232 LEU CB C 13 47.1859 0.012 3 . . . . . . 232 L CB . 25003 1 1101 . 1 1 232 232 LEU N N 15 128.368 0.019 12 . . . . . . 232 L N . 25003 1 1102 . 1 1 233 233 ALA H H 1 8.7211 0.004 13 . . . . . . 233 A HN . 25003 1 1103 . 1 1 233 233 ALA C C 13 174.4294 0.009 4 . . . . . . 233 A C . 25003 1 1104 . 1 1 233 233 ALA CA C 13 51.0229 0.008 6 . . . . . . 233 A CA . 25003 1 1105 . 1 1 233 233 ALA CB C 13 23.1909 0.002 3 . . . . . . 233 A CB . 25003 1 1106 . 1 1 233 233 ALA N N 15 125.324 0.019 13 . . . . . . 233 A N . 25003 1 1107 . 1 1 234 234 VAL H H 1 8.4451 0.003 13 . . . . . . 234 V HN . 25003 1 1108 . 1 1 234 234 VAL C C 13 172.4384 0.017 2 . . . . . . 234 V C . 25003 1 1109 . 1 1 234 234 VAL CA C 13 61.7539 0.006 6 . . . . . . 234 V CA . 25003 1 1110 . 1 1 234 234 VAL CB C 13 32.8609 0.005 3 . . . . . . 234 V CB . 25003 1 1111 . 1 1 234 234 VAL N N 15 120.485 0.011 13 . . . . . . 234 V N . 25003 1 1112 . 1 1 235 235 LEU H H 1 9.2871 0.004 12 . . . . . . 235 L HN . 25003 1 1113 . 1 1 235 235 LEU C C 13 175.3954 0.024 2 . . . . . . 235 L C . 25003 1 1114 . 1 1 235 235 LEU CA C 13 51.7399 0.013 6 . . . . . . 235 L CA . 25003 1 1115 . 1 1 235 235 LEU CB C 13 41.4049 0.003 3 . . . . . . 235 L CB . 25003 1 1116 . 1 1 235 235 LEU N N 15 127.919 0.005 12 . . . . . . 235 L N . 25003 1 1117 . 1 1 236 236 SER H H 1 7.6501 0.004 13 . . . . . . 236 S HN . 25003 1 1118 . 1 1 236 236 SER C C 13 173.1684 0.03 3 . . . . . . 236 S C . 25003 1 1119 . 1 1 236 236 SER CA C 13 57.7179 0.014 6 . . . . . . 236 S CA . 25003 1 1120 . 1 1 236 236 SER CB C 13 68.6439 0.007 3 . . . . . . 236 S CB . 25003 1 1121 . 1 1 236 236 SER N N 15 113.122 0.025 13 . . . . . . 236 S N . 25003 1 1122 . 1 1 237 237 SER H H 1 8.8811 0.004 12 . . . . . . 237 S HN . 25003 1 1123 . 1 1 237 237 SER C C 13 172.3744 0.035 2 . . . . . . 237 S C . 25003 1 1124 . 1 1 237 237 SER CA C 13 58.6349 0.014 4 . . . . . . 237 S CA . 25003 1 1125 . 1 1 237 237 SER CB C 13 66.4789 0.025 2 . . . . . . 237 S CB . 25003 1 1126 . 1 1 237 237 SER N N 15 112.281 0.007 12 . . . . . . 237 S N . 25003 1 1127 . 1 1 238 238 ARG H H 1 9.1061 0.005 7 . . . . . . 238 R HN . 25003 1 1128 . 1 1 238 238 ARG C C 13 174.7824 0 1 . . . . . . 238 R C . 25003 1 1129 . 1 1 238 238 ARG CA C 13 55.3449 0.09 3 . . . . . . 238 R CA . 25003 1 1130 . 1 1 238 238 ARG CB C 13 32.3859 0.014 3 . . . . . . 238 R CB . 25003 1 1131 . 1 1 238 238 ARG N N 15 118.646 0.021 7 . . . . . . 238 R N . 25003 1 1132 . 1 1 239 239 ASP H H 1 8.2971 0.028 8 . . . . . . 239 D HN . 25003 1 1133 . 1 1 239 239 ASP C C 13 176.4144 0 1 . . . . . . 239 D C . 25003 1 1134 . 1 1 239 239 ASP CA C 13 55.4649 0.133 5 . . . . . . 239 D CA . 25003 1 1135 . 1 1 239 239 ASP CB C 13 41.7229 0.003 2 . . . . . . 239 D CB . 25003 1 1136 . 1 1 239 239 ASP N N 15 116.55 0.062 8 . . . . . . 239 D N . 25003 1 1137 . 1 1 240 240 LYS H H 1 7.0771 0.003 11 . . . . . . 240 K HN . 25003 1 1138 . 1 1 240 240 LYS C C 13 177.1714 0.027 3 . . . . . . 240 K C . 25003 1 1139 . 1 1 240 240 LYS CA C 13 54.5529 0.015 6 . . . . . . 240 K CA . 25003 1 1140 . 1 1 240 240 LYS CB C 13 35.2149 0.008 3 . . . . . . 240 K CB . 25003 1 1141 . 1 1 240 240 LYS N N 15 117.467 0.013 11 . . . . . . 240 K N . 25003 1 1142 . 1 1 241 241 LYS H H 1 8.5501 0.003 12 . . . . . . 241 K HN . 25003 1 1143 . 1 1 241 241 LYS CA C 13 59.4099 0.001 2 . . . . . . 241 K CA . 25003 1 1144 . 1 1 241 241 LYS CB C 13 32.8259 0 1 . . . . . . 241 K CB . 25003 1 1145 . 1 1 241 241 LYS N N 15 126.397 0.013 12 . . . . . . 241 K N . 25003 1 1146 . 1 1 242 242 ASP H H 1 8.0311 0 0 . . . . . . 242 D HN . 25003 1 1147 . 1 1 242 242 ASP C C 13 175.6834 0 1 . . . . . . 242 D C . 25003 1 1148 . 1 1 242 242 ASP CA C 13 52.6989 0.025 4 . . . . . . 242 D CA . 25003 1 1149 . 1 1 242 242 ASP CB C 13 39.5689 0 2 . . . . . . 242 D CB . 25003 1 1150 . 1 1 242 242 ASP N N 15 119.47 0 0 . . . . . . 242 D N . 25003 1 1151 . 1 1 243 243 ALA H H 1 7.1701 0.003 10 . . . . . . 243 A HN . 25003 1 1152 . 1 1 243 243 ALA C C 13 177.3584 0.007 3 . . . . . . 243 A C . 25003 1 1153 . 1 1 243 243 ALA CA C 13 52.7139 0.009 4 . . . . . . 243 A CA . 25003 1 1154 . 1 1 243 243 ALA CB C 13 20.5669 0.002 3 . . . . . . 243 A CB . 25003 1 1155 . 1 1 243 243 ALA N N 15 122.451 0.016 10 . . . . . . 243 A N . 25003 1 1156 . 1 1 244 244 LYS H H 1 8.3111 0.003 13 . . . . . . 244 K HN . 25003 1 1157 . 1 1 244 244 LYS C C 13 176.5344 0.009 3 . . . . . . 244 K C . 25003 1 1158 . 1 1 244 244 LYS CA C 13 55.0369 0.012 4 . . . . . . 244 K CA . 25003 1 1159 . 1 1 244 244 LYS CB C 13 33.1259 0.009 3 . . . . . . 244 K CB . 25003 1 1160 . 1 1 244 244 LYS N N 15 120.991 0.017 13 . . . . . . 244 K N . 25003 1 1161 . 1 1 245 245 TYR H H 1 7.0001 0.004 11 . . . . . . 245 Y HN . 25003 1 1162 . 1 1 245 245 TYR C C 13 174.2664 0 1 . . . . . . 245 Y C . 25003 1 1163 . 1 1 245 245 TYR CA C 13 55.0369 0.056 6 . . . . . . 245 Y CA . 25003 1 1164 . 1 1 245 245 TYR CB C 13 40.9479 0.009 3 . . . . . . 245 Y CB . 25003 1 1165 . 1 1 245 245 TYR N N 15 117.644 0.018 11 . . . . . . 245 Y N . 25003 1 1166 . 1 1 246 246 ASP H H 1 9.1041 0.003 10 . . . . . . 246 D HN . 25003 1 1167 . 1 1 246 246 ASP C C 13 176.9284 0 1 . . . . . . 246 D C . 25003 1 1168 . 1 1 246 246 ASP CA C 13 52.9279 0.016 6 . . . . . . 246 D CA . 25003 1 1169 . 1 1 246 246 ASP CB C 13 43.3699 0.011 3 . . . . . . 246 D CB . 25003 1 1170 . 1 1 246 246 ASP N N 15 121.435 0.013 10 . . . . . . 246 D N . 25003 1 1171 . 1 1 247 247 ASP H H 1 8.9451 0.003 11 . . . . . . 247 D HN . 25003 1 1172 . 1 1 247 247 ASP C C 13 177.8874 0 1 . . . . . . 247 D C . 25003 1 1173 . 1 1 247 247 ASP CA C 13 57.7929 0.044 6 . . . . . . 247 D CA . 25003 1 1174 . 1 1 247 247 ASP CB C 13 41.0359 0.026 3 . . . . . . 247 D CB . 25003 1 1175 . 1 1 247 247 ASP N N 15 129.199 0.009 11 . . . . . . 247 D N . 25003 1 1176 . 1 1 248 248 LYS H H 1 8.6661 0.004 11 . . . . . . 248 K HN . 25003 1 1177 . 1 1 248 248 LYS C C 13 176.9404 0 1 . . . . . . 248 K C . 25003 1 1178 . 1 1 248 248 LYS CA C 13 58.9489 0.022 6 . . . . . . 248 K CA . 25003 1 1179 . 1 1 248 248 LYS CB C 13 32.1929 0.007 3 . . . . . . 248 K CB . 25003 1 1180 . 1 1 248 248 LYS N N 15 119.442 0.026 11 . . . . . . 248 K N . 25003 1 1181 . 1 1 249 249 LEU H H 1 7.0261 0.004 11 . . . . . . 249 L HN . 25003 1 1182 . 1 1 249 249 LEU C C 13 177.2224 0 1 . . . . . . 249 L C . 25003 1 1183 . 1 1 249 249 LEU CA C 13 57.9139 0.046 5 . . . . . . 249 L CA . 25003 1 1184 . 1 1 249 249 LEU CB C 13 40.7979 0.017 3 . . . . . . 249 L CB . 25003 1 1185 . 1 1 249 249 LEU N N 15 118.421 0.024 11 . . . . . . 249 L N . 25003 1 1186 . 1 1 250 250 ILE H H 1 6.8921 0.003 10 . . . . . . 250 I HN . 25003 1 1187 . 1 1 250 250 ILE C C 13 179.3684 0 1 . . . . . . 250 I C . 25003 1 1188 . 1 1 250 250 ILE CA C 13 62.9179 0.007 6 . . . . . . 250 I CA . 25003 1 1189 . 1 1 250 250 ILE CB C 13 35.7749 0.009 3 . . . . . . 250 I CB . 25003 1 1190 . 1 1 250 250 ILE N N 15 115.678 0.019 10 . . . . . . 250 I N . 25003 1 1191 . 1 1 251 251 ALA H H 1 7.2371 0.004 13 . . . . . . 251 A HN . 25003 1 1192 . 1 1 251 251 ALA C C 13 179.7614 0.027 3 . . . . . . 251 A C . 25003 1 1193 . 1 1 251 251 ALA CA C 13 56.1799 0.011 6 . . . . . . 251 A CA . 25003 1 1194 . 1 1 251 251 ALA CB C 13 19.0069 0.012 3 . . . . . . 251 A CB . 25003 1 1195 . 1 1 251 251 ALA N N 15 126.248 0.015 13 . . . . . . 251 A N . 25003 1 1196 . 1 1 252 252 GLU H H 1 8.5701 0.015 13 . . . . . . 252 E HN . 25003 1 1197 . 1 1 252 252 GLU C C 13 180.1974 0.005 3 . . . . . . 252 E C . 25003 1 1198 . 1 1 252 252 GLU CA C 13 58.7529 0.007 6 . . . . . . 252 E CA . 25003 1 1199 . 1 1 252 252 GLU CB C 13 29.3659 0.005 3 . . . . . . 252 E CB . 25003 1 1200 . 1 1 252 252 GLU N N 15 115.799 0.043 13 . . . . . . 252 E N . 25003 1 1201 . 1 1 253 253 ALA H H 1 8.5201 0.003 13 . . . . . . 253 A HN . 25003 1 1202 . 1 1 253 253 ALA C C 13 179.4104 0.017 3 . . . . . . 253 A C . 25003 1 1203 . 1 1 253 253 ALA CA C 13 55.4059 0.013 6 . . . . . . 253 A CA . 25003 1 1204 . 1 1 253 253 ALA CB C 13 18.2979 0.016 3 . . . . . . 253 A CB . 25003 1 1205 . 1 1 253 253 ALA N N 15 123.018 0.019 13 . . . . . . 253 A N . 25003 1 1206 . 1 1 254 254 THR H H 1 7.8641 0.005 10 . . . . . . 254 T HN . 25003 1 1207 . 1 1 254 254 THR C C 13 175.7964 0 1 . . . . . . 254 T C . 25003 1 1208 . 1 1 254 254 THR CA C 13 68.3799 0.008 2 . . . . . . 254 T CA . 25003 1 1209 . 1 1 254 254 THR CB C 13 68.0609 0.008 2 . . . . . . 254 T CB . 25003 1 1210 . 1 1 254 254 THR N N 15 115.992 0.018 10 . . . . . . 254 T N . 25003 1 1211 . 1 1 255 255 LYS H H 1 7.6331 0.005 7 . . . . . . 255 K HN . 25003 1 1212 . 1 1 255 255 LYS C C 13 179.8544 0 1 . . . . . . 255 K C . 25003 1 1213 . 1 1 255 255 LYS CA C 13 60.4919 0.014 6 . . . . . . 255 K CA . 25003 1 1214 . 1 1 255 255 LYS CB C 13 32.5529 0.011 3 . . . . . . 255 K CB . 25003 1 1215 . 1 1 255 255 LYS N N 15 121.697 0.009 7 . . . . . . 255 K N . 25003 1 1216 . 1 1 256 256 VAL H H 1 7.3021 0.006 12 . . . . . . 256 V HN . 25003 1 1217 . 1 1 256 256 VAL C C 13 178.2204 0.016 2 . . . . . . 256 V C . 25003 1 1218 . 1 1 256 256 VAL CA C 13 66.6089 0.019 5 . . . . . . 256 V CA . 25003 1 1219 . 1 1 256 256 VAL CB C 13 30.8059 0.004 2 . . . . . . 256 V CB . 25003 1 1220 . 1 1 256 256 VAL N N 15 120.123 0.028 12 . . . . . . 256 V N . 25003 1 1221 . 1 1 257 257 VAL H H 1 7.8611 0.003 9 . . . . . . 257 V HN . 25003 1 1222 . 1 1 257 257 VAL C C 13 177.2394 0 1 . . . . . . 257 V C . 25003 1 1223 . 1 1 257 257 VAL CA C 13 67.3119 0.026 6 . . . . . . 257 V CA . 25003 1 1224 . 1 1 257 257 VAL CB C 13 31.0099 0.024 2 . . . . . . 257 V CB . 25003 1 1225 . 1 1 257 257 VAL N N 15 120.751 0.018 9 . . . . . . 257 V N . 25003 1 1226 . 1 1 258 258 MET H H 1 8.2381 0.017 10 . . . . . . 258 M HN . 25003 1 1227 . 1 1 258 258 MET C C 13 179.1934 0 1 . . . . . . 258 M C . 25003 1 1228 . 1 1 258 258 MET CA C 13 56.9089 0.022 6 . . . . . . 258 M CA . 25003 1 1229 . 1 1 258 258 MET CB C 13 31.1619 0.022 3 . . . . . . 258 M CB . 25003 1 1230 . 1 1 258 258 MET N N 15 115.504 0.034 10 . . . . . . 258 M N . 25003 1 1231 . 1 1 259 259 LYS H H 1 7.6771 0.008 11 . . . . . . 259 K HN . 25003 1 1232 . 1 1 259 259 LYS C C 13 179.7374 0 1 . . . . . . 259 K C . 25003 1 1233 . 1 1 259 259 LYS CA C 13 59.3319 0.028 6 . . . . . . 259 K CA . 25003 1 1234 . 1 1 259 259 LYS CB C 13 32.2229 0.036 3 . . . . . . 259 K CB . 25003 1 1235 . 1 1 259 259 LYS N N 15 120.866 0.077 11 . . . . . . 259 K N . 25003 1 1236 . 1 1 260 260 ALA H H 1 8.2071 0.013 11 . . . . . . 260 A HN . 25003 1 1237 . 1 1 260 260 ALA C C 13 179.6824 0 1 . . . . . . 260 A C . 25003 1 1238 . 1 1 260 260 ALA CA C 13 54.6369 0.005 4 . . . . . . 260 A CA . 25003 1 1239 . 1 1 260 260 ALA CB C 13 18.8439 0.006 3 . . . . . . 260 A CB . 25003 1 1240 . 1 1 260 260 ALA N N 15 123.864 0.034 11 . . . . . . 260 A N . 25003 1 1241 . 1 1 261 261 LEU H H 1 7.7521 0.006 10 . . . . . . 261 L HN . 25003 1 1242 . 1 1 261 261 LEU C C 13 176.7574 0 1 . . . . . . 261 L C . 25003 1 1243 . 1 1 261 261 LEU CA C 13 54.9719 0.028 7 . . . . . . 261 L CA . 25003 1 1244 . 1 1 261 261 LEU CB C 13 42.6999 0.008 3 . . . . . . 261 L CB . 25003 1 1245 . 1 1 261 261 LEU N N 15 116.253 0.008 10 . . . . . . 261 L N . 25003 1 1246 . 1 1 262 262 ASN H H 1 7.9551 0.004 12 . . . . . . 262 N HN . 25003 1 1247 . 1 1 262 262 ASN C C 13 175.3314 0.007 2 . . . . . . 262 N C . 25003 1 1248 . 1 1 262 262 ASN CA C 13 54.0589 0.013 6 . . . . . . 262 N CA . 25003 1 1249 . 1 1 262 262 ASN CB C 13 37.7529 0.022 3 . . . . . . 262 N CB . 25003 1 1250 . 1 1 262 262 ASN N N 15 117.397 0.023 12 . . . . . . 262 N N . 25003 1 1251 . 1 1 263 263 MET H H 1 8.1961 0.004 12 . . . . . . 263 M HN . 25003 1 1252 . 1 1 263 263 MET C C 13 175.6624 0.012 2 . . . . . . 263 M C . 25003 1 1253 . 1 1 263 263 MET CA C 13 55.6879 0.019 6 . . . . . . 263 M CA . 25003 1 1254 . 1 1 263 263 MET CB C 13 33.0329 0.018 3 . . . . . . 263 M CB . 25003 1 1255 . 1 1 263 263 MET N N 15 118.349 0.007 12 . . . . . . 263 M N . 25003 1 1256 . 1 1 264 264 ASN H H 1 8.2441 0 0 . . . . . . 264 N HN . 25003 1 1257 . 1 1 264 264 ASN C C 13 175.5504 0 1 . . . . . . 264 N C . 25003 1 1258 . 1 1 264 264 ASN CA C 13 53.1969 0.017 5 . . . . . . 264 N CA . 25003 1 1259 . 1 1 264 264 ASN CB C 13 39.1369 0.021 3 . . . . . . 264 N CB . 25003 1 1260 . 1 1 264 264 ASN N N 15 118.112 0.01 11 . . . . . . 264 N N . 25003 1 1261 . 1 1 265 265 GLY H H 1 8.2221 0.005 9 . . . . . . 265 G HN . 25003 1 1262 . 1 1 265 265 GLY C C 13 174.0454 0 1 . . . . . . 265 G C . 25003 1 1263 . 1 1 265 265 GLY CA C 13 45.4959 0.004 5 . . . . . . 265 G CA . 25003 1 1264 . 1 1 265 265 GLY N N 15 109.18 0.017 9 . . . . . . 265 G N . 25003 1 1265 . 1 1 266 266 LYS H H 1 8.1041 0.004 9 . . . . . . 266 K HN . 25003 1 1266 . 1 1 266 266 LYS C C 13 176.7904 0.008 2 . . . . . . 266 K C . 25003 1 1267 . 1 1 266 266 LYS CA C 13 56.0609 0.012 7 . . . . . . 266 K CA . 25003 1 1268 . 1 1 266 266 LYS CB C 13 33.1349 0.005 2 . . . . . . 266 K CB . 25003 1 1269 . 1 1 266 266 LYS N N 15 120.899 0.019 9 . . . . . . 266 K N . 25003 1 1270 . 1 1 267 267 GLY H H 1 8.2231 0.006 10 . . . . . . 267 G HN . 25003 1 1271 . 1 1 267 267 GLY C C 13 171.9824 0.01 2 . . . . . . 267 G C . 25003 1 1272 . 1 1 267 267 GLY CA C 13 44.5899 0.001 2 . . . . . . 267 G CA . 25003 1 1273 . 1 1 267 267 GLY N N 15 110.143 0.024 10 . . . . . . 267 G N . 25003 1 stop_ save_