data_18877 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18877 _Entry.Title ; 1H,13C,15N chemical shift assignment of Ca2+_bound CaBP4 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2012-12-05 _Entry.Accession_date 2012-12-05 _Entry.Last_release_date 2014-02-14 _Entry.Original_release_date 2014-02-14 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 James Ames . B. . 18877 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18877 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 542 18877 '15N chemical shifts' 159 18877 '1H chemical shifts' 761 18877 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 . . 2014-02-14 2012-12-05 original author . 18877 stop_ save_ ############### # Citations # ############### save_chemical_shift_assignment_of_Ca2+_bound_CaBP4 _Citation.Sf_category citations _Citation.Sf_framecode chemical_shift_assignment_of_Ca2+_bound_CaBP4 _Citation.Entry_ID 18877 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 23925854 _Citation.Full_citation . _Citation.Title '(1)H, (15)N, and (13)C chemical shift assignments of murine calcium-binding protein 4.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full 'Biomolecular NMR assignments' _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year 2013 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Saebomi Park . . . 18877 1 2 Congmin Li . . . 18877 1 3 James Ames . B. . 18877 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18877 _Assembly.ID 1 _Assembly.Name 'CaBP4 polypeptide' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'CaBP4 polypeptide' 1 $CaBP4 A . yes native no no . . . 18877 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_CaBP4 _Entity.Sf_category entity _Entity.Sf_framecode CaBP4 _Entity.Entry_ID 18877 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name CaBP4 _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 ; MATEHNVQLVPGSQKIPKGV VSPRSAAEGPALTRRRSKKE SWHPGSQKASSGDQSSSQGS EASGSSKHPPRTKVGQEEPS SAPARPASHRHSHRHRSDPQ QDAAQRTYGPLLNRMFGKDR ELGPEELEELQAAFEEFDTD QDGYIGYRELGDCMRTLGYM PTEMELLEVSQHVKMRMGGF VDFEEFVELISPKLREETAH MLGVRELRIAFREFDKDRDG RITVAELRQAAPALLGEPLE GTELDEMLREMDLNGDGTID FDEFVMMLSTG ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _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 271 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state unknown _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2M28 . "Nmr Structure Of Ca2+ Bound Cabp4 C-domain" . . . . . 63.10 171 100.00 100.00 1.01e-117 . . . . 18877 1 2 no PDB 2M29 . "Nmr Structure Of Ca2+ Bound Cabp4 N-domain" . . . . . 63.10 171 100.00 100.00 1.01e-117 . . . . 18877 1 3 no GB AAH49263 . "Calcium binding protein 4 [Mus musculus]" . . . . . 100.00 271 100.00 100.00 0.00e+00 . . . . 18877 1 4 no GB AAK83463 . "calcium-binding protein CaBP4 [Mus musculus]" . . . . . 100.00 271 100.00 100.00 0.00e+00 . . . . 18877 1 5 no GB EDL33015 . "calcium binding protein 4, isoform CRA_a, partial [Mus musculus]" . . . . . 60.15 165 100.00 100.00 1.05e-112 . . . . 18877 1 6 no GB EDL33016 . "calcium binding protein 4, isoform CRA_b [Mus musculus]" . . . . . 100.00 271 100.00 100.00 0.00e+00 . . . . 18877 1 7 no REF NP_653115 . "calcium-binding protein 4 [Mus musculus]" . . . . . 100.00 271 100.00 100.00 0.00e+00 . . . . 18877 1 8 no REF XP_006531910 . "PREDICTED: calcium-binding protein 4 isoform X3 [Mus musculus]" . . . . . 54.61 183 100.00 100.00 1.81e-99 . . . . 18877 1 9 no REF XP_006531911 . "PREDICTED: calcium-binding protein 4 isoform X3 [Mus musculus]" . . . . . 54.61 183 100.00 100.00 1.81e-99 . . . . 18877 1 10 no REF XP_006531912 . "PREDICTED: calcium-binding protein 4 isoform X3 [Mus musculus]" . . . . . 54.61 183 100.00 100.00 1.81e-99 . . . . 18877 1 11 no REF XP_006544976 . "PREDICTED: calcium-binding protein 4 isoform X3 [Mus musculus]" . . . . . 54.61 183 100.00 100.00 1.81e-99 . . . . 18877 1 12 no SP Q8VHC5 . "RecName: Full=Calcium-binding protein 4; Short=CaBP4" . . . . . 100.00 271 100.00 100.00 0.00e+00 . . . . 18877 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 18877 1 2 . ALA . 18877 1 3 . THR . 18877 1 4 . GLU . 18877 1 5 . HIS . 18877 1 6 . ASN . 18877 1 7 . VAL . 18877 1 8 . GLN . 18877 1 9 . LEU . 18877 1 10 . VAL . 18877 1 11 . PRO . 18877 1 12 . GLY . 18877 1 13 . SER . 18877 1 14 . GLN . 18877 1 15 . LYS . 18877 1 16 . ILE . 18877 1 17 . PRO . 18877 1 18 . LYS . 18877 1 19 . GLY . 18877 1 20 . VAL . 18877 1 21 . VAL . 18877 1 22 . SER . 18877 1 23 . PRO . 18877 1 24 . ARG . 18877 1 25 . SER . 18877 1 26 . ALA . 18877 1 27 . ALA . 18877 1 28 . GLU . 18877 1 29 . GLY . 18877 1 30 . PRO . 18877 1 31 . ALA . 18877 1 32 . LEU . 18877 1 33 . THR . 18877 1 34 . ARG . 18877 1 35 . ARG . 18877 1 36 . ARG . 18877 1 37 . SER . 18877 1 38 . LYS . 18877 1 39 . LYS . 18877 1 40 . GLU . 18877 1 41 . SER . 18877 1 42 . TRP . 18877 1 43 . HIS . 18877 1 44 . PRO . 18877 1 45 . GLY . 18877 1 46 . SER . 18877 1 47 . GLN . 18877 1 48 . LYS . 18877 1 49 . ALA . 18877 1 50 . SER . 18877 1 51 . SER . 18877 1 52 . GLY . 18877 1 53 . ASP . 18877 1 54 . GLN . 18877 1 55 . SER . 18877 1 56 . SER . 18877 1 57 . SER . 18877 1 58 . GLN . 18877 1 59 . GLY . 18877 1 60 . SER . 18877 1 61 . GLU . 18877 1 62 . ALA . 18877 1 63 . SER . 18877 1 64 . GLY . 18877 1 65 . SER . 18877 1 66 . SER . 18877 1 67 . LYS . 18877 1 68 . HIS . 18877 1 69 . PRO . 18877 1 70 . PRO . 18877 1 71 . ARG . 18877 1 72 . THR . 18877 1 73 . LYS . 18877 1 74 . VAL . 18877 1 75 . GLY . 18877 1 76 . GLN . 18877 1 77 . GLU . 18877 1 78 . GLU . 18877 1 79 . PRO . 18877 1 80 . SER . 18877 1 81 . SER . 18877 1 82 . ALA . 18877 1 83 . PRO . 18877 1 84 . ALA . 18877 1 85 . ARG . 18877 1 86 . PRO . 18877 1 87 . ALA . 18877 1 88 . SER . 18877 1 89 . HIS . 18877 1 90 . ARG . 18877 1 91 . HIS . 18877 1 92 . SER . 18877 1 93 . HIS . 18877 1 94 . ARG . 18877 1 95 . HIS . 18877 1 96 . ARG . 18877 1 97 . SER . 18877 1 98 . ASP . 18877 1 99 . PRO . 18877 1 100 . GLN . 18877 1 101 . GLN . 18877 1 102 . ASP . 18877 1 103 . ALA . 18877 1 104 . ALA . 18877 1 105 . GLN . 18877 1 106 . ARG . 18877 1 107 . THR . 18877 1 108 . TYR . 18877 1 109 . GLY . 18877 1 110 . PRO . 18877 1 111 . LEU . 18877 1 112 . LEU . 18877 1 113 . ASN . 18877 1 114 . ARG . 18877 1 115 . MET . 18877 1 116 . PHE . 18877 1 117 . GLY . 18877 1 118 . LYS . 18877 1 119 . ASP . 18877 1 120 . ARG . 18877 1 121 . GLU . 18877 1 122 . LEU . 18877 1 123 . GLY . 18877 1 124 . PRO . 18877 1 125 . GLU . 18877 1 126 . GLU . 18877 1 127 . LEU . 18877 1 128 . GLU . 18877 1 129 . GLU . 18877 1 130 . LEU . 18877 1 131 . GLN . 18877 1 132 . ALA . 18877 1 133 . ALA . 18877 1 134 . PHE . 18877 1 135 . GLU . 18877 1 136 . GLU . 18877 1 137 . PHE . 18877 1 138 . ASP . 18877 1 139 . THR . 18877 1 140 . ASP . 18877 1 141 . GLN . 18877 1 142 . ASP . 18877 1 143 . GLY . 18877 1 144 . TYR . 18877 1 145 . ILE . 18877 1 146 . GLY . 18877 1 147 . TYR . 18877 1 148 . ARG . 18877 1 149 . GLU . 18877 1 150 . LEU . 18877 1 151 . GLY . 18877 1 152 . ASP . 18877 1 153 . CYS . 18877 1 154 . MET . 18877 1 155 . ARG . 18877 1 156 . THR . 18877 1 157 . LEU . 18877 1 158 . GLY . 18877 1 159 . TYR . 18877 1 160 . MET . 18877 1 161 . PRO . 18877 1 162 . THR . 18877 1 163 . GLU . 18877 1 164 . MET . 18877 1 165 . GLU . 18877 1 166 . LEU . 18877 1 167 . LEU . 18877 1 168 . GLU . 18877 1 169 . VAL . 18877 1 170 . SER . 18877 1 171 . GLN . 18877 1 172 . HIS . 18877 1 173 . VAL . 18877 1 174 . LYS . 18877 1 175 . MET . 18877 1 176 . ARG . 18877 1 177 . MET . 18877 1 178 . GLY . 18877 1 179 . GLY . 18877 1 180 . PHE . 18877 1 181 . VAL . 18877 1 182 . ASP . 18877 1 183 . PHE . 18877 1 184 . GLU . 18877 1 185 . GLU . 18877 1 186 . PHE . 18877 1 187 . VAL . 18877 1 188 . GLU . 18877 1 189 . LEU . 18877 1 190 . ILE . 18877 1 191 . SER . 18877 1 192 . PRO . 18877 1 193 . LYS . 18877 1 194 . LEU . 18877 1 195 . ARG . 18877 1 196 . GLU . 18877 1 197 . GLU . 18877 1 198 . THR . 18877 1 199 . ALA . 18877 1 200 . HIS . 18877 1 201 . MET . 18877 1 202 . LEU . 18877 1 203 . GLY . 18877 1 204 . VAL . 18877 1 205 . ARG . 18877 1 206 . GLU . 18877 1 207 . LEU . 18877 1 208 . ARG . 18877 1 209 . ILE . 18877 1 210 . ALA . 18877 1 211 . PHE . 18877 1 212 . ARG . 18877 1 213 . GLU . 18877 1 214 . PHE . 18877 1 215 . ASP . 18877 1 216 . LYS . 18877 1 217 . ASP . 18877 1 218 . ARG . 18877 1 219 . ASP . 18877 1 220 . GLY . 18877 1 221 . ARG . 18877 1 222 . ILE . 18877 1 223 . THR . 18877 1 224 . VAL . 18877 1 225 . ALA . 18877 1 226 . GLU . 18877 1 227 . LEU . 18877 1 228 . ARG . 18877 1 229 . GLN . 18877 1 230 . ALA . 18877 1 231 . ALA . 18877 1 232 . PRO . 18877 1 233 . ALA . 18877 1 234 . LEU . 18877 1 235 . LEU . 18877 1 236 . GLY . 18877 1 237 . GLU . 18877 1 238 . PRO . 18877 1 239 . LEU . 18877 1 240 . GLU . 18877 1 241 . GLY . 18877 1 242 . THR . 18877 1 243 . GLU . 18877 1 244 . LEU . 18877 1 245 . ASP . 18877 1 246 . GLU . 18877 1 247 . MET . 18877 1 248 . LEU . 18877 1 249 . ARG . 18877 1 250 . GLU . 18877 1 251 . MET . 18877 1 252 . ASP . 18877 1 253 . LEU . 18877 1 254 . ASN . 18877 1 255 . GLY . 18877 1 256 . ASP . 18877 1 257 . GLY . 18877 1 258 . THR . 18877 1 259 . ILE . 18877 1 260 . ASP . 18877 1 261 . PHE . 18877 1 262 . ASP . 18877 1 263 . GLU . 18877 1 264 . PHE . 18877 1 265 . VAL . 18877 1 266 . MET . 18877 1 267 . MET . 18877 1 268 . LEU . 18877 1 269 . SER . 18877 1 270 . THR . 18877 1 271 . GLY . 18877 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 18877 1 . ALA 2 2 18877 1 . THR 3 3 18877 1 . GLU 4 4 18877 1 . HIS 5 5 18877 1 . ASN 6 6 18877 1 . VAL 7 7 18877 1 . GLN 8 8 18877 1 . LEU 9 9 18877 1 . VAL 10 10 18877 1 . PRO 11 11 18877 1 . GLY 12 12 18877 1 . SER 13 13 18877 1 . GLN 14 14 18877 1 . LYS 15 15 18877 1 . ILE 16 16 18877 1 . PRO 17 17 18877 1 . LYS 18 18 18877 1 . GLY 19 19 18877 1 . VAL 20 20 18877 1 . VAL 21 21 18877 1 . SER 22 22 18877 1 . PRO 23 23 18877 1 . ARG 24 24 18877 1 . SER 25 25 18877 1 . ALA 26 26 18877 1 . ALA 27 27 18877 1 . GLU 28 28 18877 1 . GLY 29 29 18877 1 . PRO 30 30 18877 1 . ALA 31 31 18877 1 . LEU 32 32 18877 1 . THR 33 33 18877 1 . ARG 34 34 18877 1 . ARG 35 35 18877 1 . ARG 36 36 18877 1 . SER 37 37 18877 1 . LYS 38 38 18877 1 . LYS 39 39 18877 1 . GLU 40 40 18877 1 . SER 41 41 18877 1 . TRP 42 42 18877 1 . HIS 43 43 18877 1 . PRO 44 44 18877 1 . GLY 45 45 18877 1 . SER 46 46 18877 1 . GLN 47 47 18877 1 . LYS 48 48 18877 1 . ALA 49 49 18877 1 . SER 50 50 18877 1 . SER 51 51 18877 1 . GLY 52 52 18877 1 . ASP 53 53 18877 1 . GLN 54 54 18877 1 . SER 55 55 18877 1 . SER 56 56 18877 1 . SER 57 57 18877 1 . GLN 58 58 18877 1 . GLY 59 59 18877 1 . SER 60 60 18877 1 . GLU 61 61 18877 1 . ALA 62 62 18877 1 . SER 63 63 18877 1 . GLY 64 64 18877 1 . SER 65 65 18877 1 . SER 66 66 18877 1 . LYS 67 67 18877 1 . HIS 68 68 18877 1 . PRO 69 69 18877 1 . PRO 70 70 18877 1 . ARG 71 71 18877 1 . THR 72 72 18877 1 . LYS 73 73 18877 1 . VAL 74 74 18877 1 . GLY 75 75 18877 1 . GLN 76 76 18877 1 . GLU 77 77 18877 1 . GLU 78 78 18877 1 . PRO 79 79 18877 1 . SER 80 80 18877 1 . SER 81 81 18877 1 . ALA 82 82 18877 1 . PRO 83 83 18877 1 . ALA 84 84 18877 1 . ARG 85 85 18877 1 . PRO 86 86 18877 1 . ALA 87 87 18877 1 . SER 88 88 18877 1 . HIS 89 89 18877 1 . ARG 90 90 18877 1 . HIS 91 91 18877 1 . SER 92 92 18877 1 . HIS 93 93 18877 1 . ARG 94 94 18877 1 . HIS 95 95 18877 1 . ARG 96 96 18877 1 . SER 97 97 18877 1 . ASP 98 98 18877 1 . PRO 99 99 18877 1 . GLN 100 100 18877 1 . GLN 101 101 18877 1 . ASP 102 102 18877 1 . ALA 103 103 18877 1 . ALA 104 104 18877 1 . GLN 105 105 18877 1 . ARG 106 106 18877 1 . THR 107 107 18877 1 . TYR 108 108 18877 1 . GLY 109 109 18877 1 . PRO 110 110 18877 1 . LEU 111 111 18877 1 . LEU 112 112 18877 1 . ASN 113 113 18877 1 . ARG 114 114 18877 1 . MET 115 115 18877 1 . PHE 116 116 18877 1 . GLY 117 117 18877 1 . LYS 118 118 18877 1 . ASP 119 119 18877 1 . ARG 120 120 18877 1 . GLU 121 121 18877 1 . LEU 122 122 18877 1 . GLY 123 123 18877 1 . PRO 124 124 18877 1 . GLU 125 125 18877 1 . GLU 126 126 18877 1 . LEU 127 127 18877 1 . GLU 128 128 18877 1 . GLU 129 129 18877 1 . LEU 130 130 18877 1 . GLN 131 131 18877 1 . ALA 132 132 18877 1 . ALA 133 133 18877 1 . PHE 134 134 18877 1 . GLU 135 135 18877 1 . GLU 136 136 18877 1 . PHE 137 137 18877 1 . ASP 138 138 18877 1 . THR 139 139 18877 1 . ASP 140 140 18877 1 . GLN 141 141 18877 1 . ASP 142 142 18877 1 . GLY 143 143 18877 1 . TYR 144 144 18877 1 . ILE 145 145 18877 1 . GLY 146 146 18877 1 . TYR 147 147 18877 1 . ARG 148 148 18877 1 . GLU 149 149 18877 1 . LEU 150 150 18877 1 . GLY 151 151 18877 1 . ASP 152 152 18877 1 . CYS 153 153 18877 1 . MET 154 154 18877 1 . ARG 155 155 18877 1 . THR 156 156 18877 1 . LEU 157 157 18877 1 . GLY 158 158 18877 1 . TYR 159 159 18877 1 . MET 160 160 18877 1 . PRO 161 161 18877 1 . THR 162 162 18877 1 . GLU 163 163 18877 1 . MET 164 164 18877 1 . GLU 165 165 18877 1 . LEU 166 166 18877 1 . LEU 167 167 18877 1 . GLU 168 168 18877 1 . VAL 169 169 18877 1 . SER 170 170 18877 1 . GLN 171 171 18877 1 . HIS 172 172 18877 1 . VAL 173 173 18877 1 . LYS 174 174 18877 1 . MET 175 175 18877 1 . ARG 176 176 18877 1 . MET 177 177 18877 1 . GLY 178 178 18877 1 . GLY 179 179 18877 1 . PHE 180 180 18877 1 . VAL 181 181 18877 1 . ASP 182 182 18877 1 . PHE 183 183 18877 1 . GLU 184 184 18877 1 . GLU 185 185 18877 1 . PHE 186 186 18877 1 . VAL 187 187 18877 1 . GLU 188 188 18877 1 . LEU 189 189 18877 1 . ILE 190 190 18877 1 . SER 191 191 18877 1 . PRO 192 192 18877 1 . LYS 193 193 18877 1 . LEU 194 194 18877 1 . ARG 195 195 18877 1 . GLU 196 196 18877 1 . GLU 197 197 18877 1 . THR 198 198 18877 1 . ALA 199 199 18877 1 . HIS 200 200 18877 1 . MET 201 201 18877 1 . LEU 202 202 18877 1 . GLY 203 203 18877 1 . VAL 204 204 18877 1 . ARG 205 205 18877 1 . GLU 206 206 18877 1 . LEU 207 207 18877 1 . ARG 208 208 18877 1 . ILE 209 209 18877 1 . ALA 210 210 18877 1 . PHE 211 211 18877 1 . ARG 212 212 18877 1 . GLU 213 213 18877 1 . PHE 214 214 18877 1 . ASP 215 215 18877 1 . LYS 216 216 18877 1 . ASP 217 217 18877 1 . ARG 218 218 18877 1 . ASP 219 219 18877 1 . GLY 220 220 18877 1 . ARG 221 221 18877 1 . ILE 222 222 18877 1 . THR 223 223 18877 1 . VAL 224 224 18877 1 . ALA 225 225 18877 1 . GLU 226 226 18877 1 . LEU 227 227 18877 1 . ARG 228 228 18877 1 . GLN 229 229 18877 1 . ALA 230 230 18877 1 . ALA 231 231 18877 1 . PRO 232 232 18877 1 . ALA 233 233 18877 1 . LEU 234 234 18877 1 . LEU 235 235 18877 1 . GLY 236 236 18877 1 . GLU 237 237 18877 1 . PRO 238 238 18877 1 . LEU 239 239 18877 1 . GLU 240 240 18877 1 . GLY 241 241 18877 1 . THR 242 242 18877 1 . GLU 243 243 18877 1 . LEU 244 244 18877 1 . ASP 245 245 18877 1 . GLU 246 246 18877 1 . MET 247 247 18877 1 . LEU 248 248 18877 1 . ARG 249 249 18877 1 . GLU 250 250 18877 1 . MET 251 251 18877 1 . ASP 252 252 18877 1 . LEU 253 253 18877 1 . ASN 254 254 18877 1 . GLY 255 255 18877 1 . ASP 256 256 18877 1 . GLY 257 257 18877 1 . THR 258 258 18877 1 . ILE 259 259 18877 1 . ASP 260 260 18877 1 . PHE 261 261 18877 1 . ASP 262 262 18877 1 . GLU 263 263 18877 1 . PHE 264 264 18877 1 . VAL 265 265 18877 1 . MET 266 266 18877 1 . MET 267 267 18877 1 . LEU 268 268 18877 1 . SER 269 269 18877 1 . THR 270 270 18877 1 . GLY 271 271 18877 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 18877 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $CaBP4 . 10090 organism . 'Mus musculus' Mouse . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . . . . . . . . . 18877 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 18877 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $CaBP4 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET30 . . . . . . 18877 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 18877 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'CaBP4(reside 100-271aa)' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 CaBP4 '[U-13C; U-15N; U-2H]' . . 1 $CaBP4 . . 0.5 . . mM . . . . 18877 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 18877 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'CaBP4(residue 100-271aa)' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 CaBP4 [U-15N] . . 1 $CaBP4 . . 0.5 . . mM . . . . 18877 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 18877 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'CaBP4 (resid 100-271aa)' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 CaBP4 '[U-13C; U-15N]' . . 1 $CaBP4 . . 0.5 . . mM . . . . 18877 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 18877 _Sample.ID 4 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'CaBP4 (resid 100-271aa)' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 CaBP4 'natural abundance' . . 1 $CaBP4 . . 0.5 . . mM . . . . 18877 4 stop_ save_ save_sample_5 _Sample.Sf_category sample _Sample.Sf_framecode sample_5 _Sample.Entry_ID 18877 _Sample.ID 5 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'CaBP4(reside 100-271aa)' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 CaBP4 '[U-10% 13C; U-99% 15N]' . . 1 $CaBP4 . . 0.5 . . mM . . . . 18877 5 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 18877 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 7.4 . pH 18877 1 pressure 1 . atm 18877 1 temperature 310 . K 18877 1 stop_ save_ save_sample_conditions_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_2 _Sample_condition_list.Entry_ID 18877 _Sample_condition_list.ID 2 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 7.4 . pH 18877 2 pressure 1 . atm 18877 2 temperature 310 . K 18877 2 stop_ save_ save_sample_conditions_3 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_3 _Sample_condition_list.Entry_ID 18877 _Sample_condition_list.ID 3 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 7.4 . pH 18877 3 pressure 1 . atm 18877 3 temperature 310 . K 18877 3 stop_ save_ save_sample_conditions_4 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_4 _Sample_condition_list.Entry_ID 18877 _Sample_condition_list.ID 4 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 7.4 . pH 18877 4 pressure 1 . atm 18877 4 temperature 310 . K 18877 4 stop_ save_ save_sample_conditions_5 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_5 _Sample_condition_list.Entry_ID 18877 _Sample_condition_list.ID 5 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 7.4 . pH 18877 5 pressure 1 . atm 18877 5 temperature 310 . K 18877 5 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 18877 _Software.ID 1 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 18877 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 18877 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_800_MHZ_NMR _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 800_MHZ_NMR _NMR_spectrometer.Entry_ID 18877 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 18877 _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 1 800_MHZ_NMR Bruker Avance . 800 . . . 18877 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 18877 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no 1 $NMR_spectrometer_expt . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $800_MHZ_NMR . . . . . . . . . . . . . . . . 18877 1 2 '3D HNCO' no 1 $NMR_spectrometer_expt . . . . . . . . 3 $sample_3 isotropic . . 3 $sample_conditions_3 . . . 1 $800_MHZ_NMR . . . . . . . . . . . . . . . . 18877 1 3 '3D HN(CA)CO' no 1 $NMR_spectrometer_expt . . . . . . . . 3 $sample_3 isotropic . . 3 $sample_conditions_3 . . . 1 $800_MHZ_NMR . . . . . . . . . . . . . . . . 18877 1 4 'Trosy HNCACB' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $800_MHZ_NMR . . . . . . . . . . . . . . . . 18877 1 5 'Trosy HN(CO)CACB' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $800_MHZ_NMR . . . . . . . . . . . . . . . . 18877 1 6 '3D HCCH-TOCSY' no 1 $NMR_spectrometer_expt . . . . . . . . 3 $sample_3 isotropic . . 2 $sample_conditions_2 . . . 1 $800_MHZ_NMR . . . . . . . . . . . . . . . . 18877 1 7 '2D 1H-1H COSY' no 1 $NMR_spectrometer_expt . . . . . . . . 4 $sample_4 isotropic . . 4 $sample_conditions_4 . . . 1 $800_MHZ_NMR . . . . . . . . . . . . . . . . 18877 1 8 '2D 1H-1H NOESY' no 1 $NMR_spectrometer_expt . . . . . . . . 4 $sample_4 isotropic . . 4 $sample_conditions_4 . . . 1 $800_MHZ_NMR . . . . . . . . . . . . . . . . 18877 1 9 '13C CT-HSQC' no 1 $NMR_spectrometer_expt . . . . . . . . 5 $sample_5 isotropic . . 5 $sample_conditions_5 . . . 1 $800_MHZ_NMR . . . . . . . . . . . . . . . . 18877 1 stop_ save_ save_NMR_spectrometer_expt _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt _NMR_spec_expt.Entry_ID 18877 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name . _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $800_MHZ_NMR _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $SPARKY _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . 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 18877 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 18877 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 18877 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 18877 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 18877 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 18877 1 2 '3D HNCO' . . . 18877 1 3 '3D HN(CA)CO' . . . 18877 1 4 'Trosy HNCACB' . . . 18877 1 5 'Trosy HN(CO)CACB' . . . 18877 1 6 '3D HCCH-TOCSY' . . . 18877 1 7 '2D 1H-1H COSY' . . . 18877 1 8 '2D 1H-1H NOESY' . . . 18877 1 9 '13C CT-HSQC' . . . 18877 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 101 101 GLN H H 1 8.389 0.02 . 1 . . . . 101 GLN H . 18877 1 2 . 1 1 101 101 GLN HA H 1 4.319 0.02 . 1 . . . . 101 GLN HA . 18877 1 3 . 1 1 101 101 GLN HB2 H 1 2.126 0.02 . 2 . . . . 101 GLN HB2 . 18877 1 4 . 1 1 101 101 GLN HB3 H 1 2.015 0.02 . 2 . . . . 101 GLN HB3 . 18877 1 5 . 1 1 101 101 GLN C C 13 175.800 0.3 . 1 . . . . 101 GLN C . 18877 1 6 . 1 1 101 101 GLN CA C 13 56.250 0.3 . 1 . . . . 101 GLN CA . 18877 1 7 . 1 1 101 101 GLN CB C 13 29.450 0.3 . 1 . . . . 101 GLN CB . 18877 1 8 . 1 1 101 101 GLN N N 15 121.500 0.32 . 1 . . . . 101 GLN N . 18877 1 9 . 1 1 102 102 ASP H H 1 8.327 0.02 . 1 . . . . 102 ASP H . 18877 1 10 . 1 1 102 102 ASP HA H 1 4.570 0.02 . 1 . . . . 102 ASP HA . 18877 1 11 . 1 1 102 102 ASP HB2 H 1 2.690 0.02 . 2 . . . . 102 ASP HB2 . 18877 1 12 . 1 1 102 102 ASP HB3 H 1 2.700 0.02 . 2 . . . . 102 ASP HB3 . 18877 1 13 . 1 1 102 102 ASP C C 13 176.300 0.3 . 1 . . . . 102 ASP C . 18877 1 14 . 1 1 102 102 ASP CA C 13 54.750 0.3 . 1 . . . . 102 ASP CA . 18877 1 15 . 1 1 102 102 ASP CB C 13 41.110 0.3 . 1 . . . . 102 ASP CB . 18877 1 16 . 1 1 102 102 ASP N N 15 121.200 0.3 . 1 . . . . 102 ASP N . 18877 1 17 . 1 1 103 103 ALA H H 1 8.170 0.02 . 1 . . . . 103 ALA H . 18877 1 18 . 1 1 103 103 ALA HA H 1 4.230 0.02 . 1 . . . . 103 ALA HA . 18877 1 19 . 1 1 103 103 ALA HB1 H 1 1.420 0.02 . 1 . . . . 103 ALA MB . 18877 1 20 . 1 1 103 103 ALA HB2 H 1 1.420 0.02 . 1 . . . . 103 ALA MB . 18877 1 21 . 1 1 103 103 ALA HB3 H 1 1.420 0.02 . 1 . . . . 103 ALA MB . 18877 1 22 . 1 1 103 103 ALA C C 13 178.000 0.3 . 1 . . . . 103 ALA C . 18877 1 23 . 1 1 103 103 ALA CA C 13 53.290 0.3 . 1 . . . . 103 ALA CA . 18877 1 24 . 1 1 103 103 ALA CB C 13 18.840 0.3 . 1 . . . . 103 ALA CB . 18877 1 25 . 1 1 103 103 ALA N N 15 123.900 0.3 . 1 . . . . 103 ALA N . 18877 1 26 . 1 1 104 104 ALA H H 1 8.229 0.02 . 1 . . . . 104 ALA H . 18877 1 27 . 1 1 104 104 ALA HA H 1 4.229 0.02 . 1 . . . . 104 ALA HA . 18877 1 28 . 1 1 104 104 ALA HB1 H 1 1.429 0.02 . 1 . . . . 104 ALA MB . 18877 1 29 . 1 1 104 104 ALA HB2 H 1 1.429 0.02 . 1 . . . . 104 ALA MB . 18877 1 30 . 1 1 104 104 ALA HB3 H 1 1.429 0.02 . 1 . . . . 104 ALA MB . 18877 1 31 . 1 1 104 104 ALA C C 13 178.000 0.3 . 1 . . . . 104 ALA C . 18877 1 32 . 1 1 104 104 ALA CA C 13 53.200 0.3 . 1 . . . . 104 ALA CA . 18877 1 33 . 1 1 104 104 ALA CB C 13 18.650 0.3 . 1 . . . . 104 ALA CB . 18877 1 34 . 1 1 104 104 ALA N N 15 122.100 0.3 . 1 . . . . 104 ALA N . 18877 1 35 . 1 1 105 105 GLN H H 1 8.144 0.02 . 1 . . . . 105 GLN H . 18877 1 36 . 1 1 105 105 GLN HA H 1 4.230 0.02 . 1 . . . . 105 GLN HA . 18877 1 37 . 1 1 105 105 GLN HB2 H 1 2.030 0.02 . 2 . . . . 105 GLN HB2 . 18877 1 38 . 1 1 105 105 GLN HB3 H 1 2.120 0.02 . 2 . . . . 105 GLN HB3 . 18877 1 39 . 1 1 105 105 GLN HG2 H 1 2.390 0.02 . 2 . . . . 105 GLN HG2 . 18877 1 40 . 1 1 105 105 GLN HE21 H 1 6.783 0.02 . 2 . . . . 105 GLN HE21 . 18877 1 41 . 1 1 105 105 GLN HE22 H 1 7.464 0.02 . 2 . . . . 105 GLN HE22 . 18877 1 42 . 1 1 105 105 GLN C C 13 176.300 0.3 . 1 . . . . 105 GLN C . 18877 1 43 . 1 1 105 105 GLN CA C 13 56.330 0.3 . 1 . . . . 105 GLN CA . 18877 1 44 . 1 1 105 105 GLN CB C 13 28.910 0.3 . 1 . . . . 105 GLN CB . 18877 1 45 . 1 1 105 105 GLN CG C 13 34.020 0.3 . 1 . . . . 105 GLN CG . 18877 1 46 . 1 1 105 105 GLN N N 15 118.600 0.3 . 1 . . . . 105 GLN N . 18877 1 47 . 1 1 105 105 GLN NE2 N 15 112.300 0.3 . 1 . . . . 105 GLN NE2 . 18877 1 48 . 1 1 106 106 ARG H H 1 8.195 0.02 . 1 . . . . 106 ARG H . 18877 1 49 . 1 1 106 106 ARG HA H 1 4.299 0.02 . 1 . . . . 106 ARG HA . 18877 1 50 . 1 1 106 106 ARG HB2 H 1 1.742 0.02 . 2 . . . . 106 ARG HB2 . 18877 1 51 . 1 1 106 106 ARG HB3 H 1 1.720 0.02 . 2 . . . . 106 ARG HB3 . 18877 1 52 . 1 1 106 106 ARG HG2 H 1 1.539 0.02 . 2 . . . . 106 ARG HG2 . 18877 1 53 . 1 1 106 106 ARG HG3 H 1 1.599 0.02 . 2 . . . . 106 ARG HG3 . 18877 1 54 . 1 1 106 106 ARG C C 13 176.400 0.3 . 1 . . . . 106 ARG C . 18877 1 55 . 1 1 106 106 ARG CA C 13 56.310 0.3 . 1 . . . . 106 ARG CA . 18877 1 56 . 1 1 106 106 ARG CB C 13 29.220 0.3 . 1 . . . . 106 ARG CB . 18877 1 57 . 1 1 106 106 ARG CG C 13 27.45 0.3 . 1 . . . . 106 ARG CG . 18877 1 58 . 1 1 106 106 ARG N N 15 121.500 0.3 . 1 . . . . 106 ARG N . 18877 1 59 . 1 1 107 107 THR H H 1 8.233 0.02 . 1 . . . . 107 THR H . 18877 1 60 . 1 1 107 107 THR HA H 1 4.258 0.02 . 1 . . . . 107 THR HA . 18877 1 61 . 1 1 107 107 THR HB H 1 4.050 0.02 . 1 . . . . 107 THR HB . 18877 1 62 . 1 1 107 107 THR HG21 H 1 1.009 0.02 . 1 . . . . 107 THR MG . 18877 1 63 . 1 1 107 107 THR HG22 H 1 1.009 0.02 . 1 . . . . 107 THR MG . 18877 1 64 . 1 1 107 107 THR HG23 H 1 1.009 0.02 . 1 . . . . 107 THR MG . 18877 1 65 . 1 1 107 107 THR CA C 13 62.61 0.3 . 1 . . . . 107 THR CA . 18877 1 66 . 1 1 107 107 THR CB C 13 69.72 0.3 . 1 . . . . 107 THR CB . 18877 1 67 . 1 1 107 107 THR CG2 C 13 21.48 0.3 . 1 . . . . 107 THR CG2 . 18877 1 68 . 1 1 107 107 THR N N 15 115.700 0.3 . 1 . . . . 107 THR N . 18877 1 69 . 1 1 108 108 TYR H H 1 8.590 0.02 . 1 . . . . 108 TYR H . 18877 1 70 . 1 1 108 108 TYR HA H 1 4.570 0.02 . 1 . . . . 108 TYR HA . 18877 1 71 . 1 1 108 108 TYR HB2 H 1 3.113 0.02 . 2 . . . . 108 TYR HB2 . 18877 1 72 . 1 1 108 108 TYR HB3 H 1 2.892 0.02 . 2 . . . . 108 TYR HB3 . 18877 1 73 . 1 1 108 108 TYR CA C 13 58.800 0.3 . 1 . . . . 108 TYR CA . 18877 1 74 . 1 1 108 108 TYR CB C 13 38.550 0.3 . 1 . . . . 108 TYR CB . 18877 1 75 . 1 1 108 108 TYR N N 15 120.200 0.3 . 1 . . . . 108 TYR N . 18877 1 76 . 1 1 109 109 GLY H H 1 8.365 0.02 . 1 . . . . 109 GLY H . 18877 1 77 . 1 1 109 109 GLY HA2 H 1 3.890 0.02 . 2 . . . . 109 GLY HA2 . 18877 1 78 . 1 1 109 109 GLY HA3 H 1 4.153 0.02 . 2 . . . . 109 GLY HA3 . 18877 1 79 . 1 1 109 109 GLY CA C 13 47.55 0.3 . 1 . . . . 109 GLY CA . 18877 1 80 . 1 1 109 109 GLY N N 15 109.400 0.3 . 1 . . . . 109 GLY N . 18877 1 81 . 1 1 110 110 PRO C C 13 178.600 0.3 . 1 . . . . 110 PRO C . 18877 1 82 . 1 1 110 110 PRO CA C 13 64.92 0.3 . 1 . . . . 110 PRO CA . 18877 1 83 . 1 1 110 110 PRO CB C 13 31.60 0.3 . 1 . . . . 110 PRO CB . 18877 1 84 . 1 1 111 111 LEU H H 1 7.666 0.02 . 1 . . . . 111 LEU H . 18877 1 85 . 1 1 111 111 LEU HA H 1 4.158 0.02 . 1 . . . . 111 LEU HA . 18877 1 86 . 1 1 111 111 LEU HB2 H 1 1.747 0.02 . 2 . . . . 111 LEU HB2 . 18877 1 87 . 1 1 111 111 LEU CA C 13 57.67 0.3 . 1 . . . . 111 LEU CA . 18877 1 88 . 1 1 111 111 LEU CB C 13 41.50 0.3 . 1 . . . . 111 LEU CB . 18877 1 89 . 1 1 111 111 LEU N N 15 118.50 0.3 . 1 . . . . 111 LEU N . 18877 1 90 . 1 1 112 112 LEU H H 1 8.110 0.02 . 1 . . . . 112 LEU H . 18877 1 91 . 1 1 112 112 LEU HA H 1 4.143 0.02 . 1 . . . . 112 LEU HA . 18877 1 92 . 1 1 112 112 LEU C C 13 178.500 0.3 . 1 . . . . 112 LEU C . 18877 1 93 . 1 1 112 112 LEU CA C 13 57.47 0.3 . 1 . . . . 112 LEU CA . 18877 1 94 . 1 1 112 112 LEU CB C 13 41.19 0.3 . 1 . . . . 112 LEU CB . 18877 1 95 . 1 1 112 112 LEU N N 15 118.700 0.3 . 1 . . . . 112 LEU N . 18877 1 96 . 1 1 113 113 ASN H H 1 8.226 0.02 . 1 . . . . 113 ASN H . 18877 1 97 . 1 1 113 113 ASN HA H 1 4.479 0.02 . 1 . . . . 113 ASN HA . 18877 1 98 . 1 1 113 113 ASN HB2 H 1 2.815 0.02 . 2 . . . . 113 ASN HB2 . 18877 1 99 . 1 1 113 113 ASN HB3 H 1 2.833 0.02 . 2 . . . . 113 ASN HB3 . 18877 1 100 . 1 1 113 113 ASN C C 13 177.300 0.3 . 1 . . . . 113 ASN C . 18877 1 101 . 1 1 113 113 ASN CA C 13 56.02 0.3 . 1 . . . . 113 ASN CA . 18877 1 102 . 1 1 113 113 ASN CB C 13 38.60 0.3 . 1 . . . . 113 ASN CB . 18877 1 103 . 1 1 113 113 ASN N N 15 116.400 0.3 . 1 . . . . 113 ASN N . 18877 1 104 . 1 1 114 114 ARG H H 1 7.819 0.02 . 1 . . . . 114 ARG H . 18877 1 105 . 1 1 114 114 ARG C C 13 177.700 0.3 . 1 . . . . 114 ARG C . 18877 1 106 . 1 1 114 114 ARG CA C 13 57.96 0.3 . 1 . . . . 114 ARG CA . 18877 1 107 . 1 1 114 114 ARG CB C 13 29.90 0.3 . 1 . . . . 114 ARG CB . 18877 1 108 . 1 1 114 114 ARG N N 15 118.600 0.3 . 1 . . . . 114 ARG N . 18877 1 109 . 1 1 115 115 MET H H 1 7.900 0.02 . 1 . . . . 115 MET H . 18877 1 110 . 1 1 115 115 MET HA H 1 4.184 0.02 . 1 . . . . 115 MET HA . 18877 1 111 . 1 1 115 115 MET C C 13 176.400 0.3 . 1 . . . . 115 MET C . 18877 1 112 . 1 1 115 115 MET CA C 13 57.670 0.3 . 1 . . . . 115 MET CA . 18877 1 113 . 1 1 115 115 MET CB C 13 32.840 0.3 . 1 . . . . 115 MET CB . 18877 1 114 . 1 1 115 115 MET N N 15 117.200 0.3 . 1 . . . . 115 MET N . 18877 1 115 . 1 1 116 116 PHE H H 1 7.789 0.02 . 1 . . . . 116 PHE H . 18877 1 116 . 1 1 116 116 PHE HA H 1 4.780 0.02 . 1 . . . . 116 PHE HA . 18877 1 117 . 1 1 116 116 PHE HB2 H 1 2.880 0.02 . 2 . . . . 116 PHE HB2 . 18877 1 118 . 1 1 116 116 PHE HB3 H 1 3.370 0.02 . 2 . . . . 116 PHE HB3 . 18877 1 119 . 1 1 116 116 PHE HD1 H 1 7.345 0.02 . 3 . . . . 116 PHE HD1 . 18877 1 120 . 1 1 116 116 PHE HE1 H 1 7.234 0.02 . 3 . . . . 116 PHE HE1 . 18877 1 121 . 1 1 116 116 PHE HZ H 1 7.148 0.02 . 1 . . . . 116 PHE HZ . 18877 1 122 . 1 1 116 116 PHE C C 13 176.000 0.3 . 1 . . . . 116 PHE C . 18877 1 123 . 1 1 116 116 PHE CA C 13 57.700 0.3 . 1 . . . . 116 PHE CA . 18877 1 124 . 1 1 116 116 PHE CB C 13 39.410 0.3 . 1 . . . . 116 PHE CB . 18877 1 125 . 1 1 116 116 PHE N N 15 115.600 0.3 . 1 . . . . 116 PHE N . 18877 1 126 . 1 1 117 117 GLY H H 1 8.093 0.02 . 1 . . . . 117 GLY H . 18877 1 127 . 1 1 117 117 GLY HA2 H 1 4.007 0.02 . 2 . . . . 117 GLY HA2 . 18877 1 128 . 1 1 117 117 GLY HA3 H 1 4.114 0.02 . 2 . . . . 117 GLY HA3 . 18877 1 129 . 1 1 117 117 GLY C C 13 174.500 0.3 . 1 . . . . 117 GLY C . 18877 1 130 . 1 1 117 117 GLY CA C 13 45.74 0.3 . 1 . . . . 117 GLY CA . 18877 1 131 . 1 1 117 117 GLY N N 15 108.400 0.3 . 1 . . . . 117 GLY N . 18877 1 132 . 1 1 118 118 LYS H H 1 8.087 0.02 . 1 . . . . 118 LYS H . 18877 1 133 . 1 1 118 118 LYS HA H 1 4.287 0.02 . 1 . . . . 118 LYS HA . 18877 1 134 . 1 1 118 118 LYS HB2 H 1 1.796 0.02 . 2 . . . . 118 LYS HB2 . 18877 1 135 . 1 1 118 118 LYS HB3 H 1 1.853 0.02 . 2 . . . . 118 LYS HB3 . 18877 1 136 . 1 1 118 118 LYS HG2 H 1 1.445 0.02 . 2 . . . . 118 LYS HG2 . 18877 1 137 . 1 1 118 118 LYS HD2 H 1 1.692 0.02 . 2 . . . . 118 LYS HD2 . 18877 1 138 . 1 1 118 118 LYS HE2 H 1 3.009 0.02 . 2 . . . . 118 LYS HE2 . 18877 1 139 . 1 1 118 118 LYS C C 13 176.200 0.3 . 1 . . . . 118 LYS C . 18877 1 140 . 1 1 118 118 LYS CA C 13 56.860 0.3 . 1 . . . . 118 LYS CA . 18877 1 141 . 1 1 118 118 LYS CB C 13 32.550 0.3 . 1 . . . . 118 LYS CB . 18877 1 142 . 1 1 118 118 LYS CG C 13 24.610 0.3 . 1 . . . . 118 LYS CG . 18877 1 143 . 1 1 118 118 LYS CD C 13 29.080 0.3 . 1 . . . . 118 LYS CD . 18877 1 144 . 1 1 118 118 LYS CE C 13 42.040 0.3 . 1 . . . . 118 LYS CE . 18877 1 145 . 1 1 118 118 LYS N N 15 120.000 0.3 . 1 . . . . 118 LYS N . 18877 1 146 . 1 1 119 119 ASP H H 1 8.344 0.02 . 1 . . . . 119 ASP H . 18877 1 147 . 1 1 119 119 ASP HA H 1 4.622 0.02 . 1 . . . . 119 ASP HA . 18877 1 148 . 1 1 119 119 ASP HB2 H 1 2.613 0.02 . 2 . . . . 119 ASP HB2 . 18877 1 149 . 1 1 119 119 ASP HB3 H 1 2.710 0.02 . 2 . . . . 119 ASP HB3 . 18877 1 150 . 1 1 119 119 ASP C C 13 175.800 0.3 . 1 . . . . 119 ASP C . 18877 1 151 . 1 1 119 119 ASP CA C 13 54.460 0.3 . 1 . . . . 119 ASP CA . 18877 1 152 . 1 1 119 119 ASP CB C 13 40.830 0.3 . 1 . . . . 119 ASP CB . 18877 1 153 . 1 1 119 119 ASP N N 15 119.800 0.3 . 1 . . . . 119 ASP N . 18877 1 154 . 1 1 120 120 ARG H H 1 7.894 0.02 . 1 . . . . 120 ARG H . 18877 1 155 . 1 1 120 120 ARG HA H 1 4.330 0.02 . 1 . . . . 120 ARG HA . 18877 1 156 . 1 1 120 120 ARG HB2 H 1 1.794 0.02 . 2 . . . . 120 ARG HB2 . 18877 1 157 . 1 1 120 120 ARG C C 13 175.700 0.3 . 1 . . . . 120 ARG C . 18877 1 158 . 1 1 120 120 ARG CA C 13 56.000 0.3 . 1 . . . . 120 ARG CA . 18877 1 159 . 1 1 120 120 ARG CB C 13 30.460 0.3 . 1 . . . . 120 ARG CB . 18877 1 160 . 1 1 120 120 ARG N N 15 120.200 0.3 . 1 . . . . 120 ARG N . 18877 1 161 . 1 1 121 121 GLU H H 1 8.364 0.02 . 1 . . . . 121 GLU H . 18877 1 162 . 1 1 121 121 GLU HA H 1 4.337 0.02 . 1 . . . . 121 GLU HA . 18877 1 163 . 1 1 121 121 GLU HB2 H 1 1.895 0.02 . 2 . . . . 121 GLU HB2 . 18877 1 164 . 1 1 121 121 GLU HB3 H 1 2.017 0.02 . 2 . . . . 121 GLU HB3 . 18877 1 165 . 1 1 121 121 GLU C C 13 176.300 0.3 . 1 . . . . 121 GLU C . 18877 1 166 . 1 1 121 121 GLU CA C 13 55.900 0.3 . 1 . . . . 121 GLU CA . 18877 1 167 . 1 1 121 121 GLU CB C 13 30.310 0.3 . 1 . . . . 121 GLU CB . 18877 1 168 . 1 1 121 121 GLU N N 15 122.300 0.3 . 1 . . . . 121 GLU N . 18877 1 169 . 1 1 122 122 LEU H H 1 8.410 0.02 . 1 . . . . 122 LEU H . 18877 1 170 . 1 1 122 122 LEU HA H 1 4.332 0.02 . 1 . . . . 122 LEU HA . 18877 1 171 . 1 1 122 122 LEU HB2 H 1 1.456 0.02 . 2 . . . . 122 LEU HB2 . 18877 1 172 . 1 1 122 122 LEU HB3 H 1 1.680 0.02 . 2 . . . . 122 LEU HB3 . 18877 1 173 . 1 1 122 122 LEU HD11 H 1 0.805 0.02 . 1 . . . . 122 LEU MD1 . 18877 1 174 . 1 1 122 122 LEU HD12 H 1 0.805 0.02 . 1 . . . . 122 LEU MD1 . 18877 1 175 . 1 1 122 122 LEU HD13 H 1 0.805 0.02 . 1 . . . . 122 LEU MD1 . 18877 1 176 . 1 1 122 122 LEU HD21 H 1 0.774 0.02 . 1 . . . . 122 LEU MD2 . 18877 1 177 . 1 1 122 122 LEU HD22 H 1 0.774 0.02 . 1 . . . . 122 LEU MD2 . 18877 1 178 . 1 1 122 122 LEU HD23 H 1 0.774 0.02 . 1 . . . . 122 LEU MD2 . 18877 1 179 . 1 1 122 122 LEU C C 13 177.300 0.3 . 1 . . . . 122 LEU C . 18877 1 180 . 1 1 122 122 LEU CA C 13 55.490 0.3 . 1 . . . . 122 LEU CA . 18877 1 181 . 1 1 122 122 LEU CB C 13 41.620 0.3 . 1 . . . . 122 LEU CB . 18877 1 182 . 1 1 122 122 LEU CD1 C 13 25.74 0.3 . 1 . . . . 122 LEU CD1 . 18877 1 183 . 1 1 122 122 LEU CD2 C 13 23.97 0.3 . 1 . . . . 122 LEU CD2 . 18877 1 184 . 1 1 122 122 LEU N N 15 123.800 0.3 . 1 . . . . 122 LEU N . 18877 1 185 . 1 1 123 123 GLY H H 1 8.894 0.02 . 1 . . . . 123 GLY H . 18877 1 186 . 1 1 123 123 GLY HA2 H 1 4.000 0.02 . 2 . . . . 123 GLY HA2 . 18877 1 187 . 1 1 123 123 GLY HA3 H 1 4.472 0.02 . 2 . . . . 123 GLY HA3 . 18877 1 188 . 1 1 123 123 GLY CA C 13 44.32 0.3 . 1 . . . . 123 GLY CA . 18877 1 189 . 1 1 123 123 GLY N N 15 111.600 0.3 . 1 . . . . 123 GLY N . 18877 1 190 . 1 1 124 124 PRO HA H 1 4.280 0.02 . 1 . . . . 124 PRO HA . 18877 1 191 . 1 1 124 124 PRO HB2 H 1 2.029 0.02 . 2 . . . . 124 PRO HB2 . 18877 1 192 . 1 1 124 124 PRO HB3 H 1 2.399 0.02 . 2 . . . . 124 PRO HB3 . 18877 1 193 . 1 1 124 124 PRO C C 13 179.400 0.3 . 1 . . . . 124 PRO C . 18877 1 194 . 1 1 124 124 PRO CA C 13 65.62 0.3 . 1 . . . . 124 PRO CA . 18877 1 195 . 1 1 124 124 PRO CB C 13 31.46 0.3 . 1 . . . . 124 PRO CB . 18877 1 196 . 1 1 125 125 GLU H H 1 9.069 0.02 . 1 . . . . 125 GLU H . 18877 1 197 . 1 1 125 125 GLU HA H 1 4.194 0.02 . 1 . . . . 125 GLU HA . 18877 1 198 . 1 1 125 125 GLU C C 13 179.200 0.3 . 1 . . . . 125 GLU C . 18877 1 199 . 1 1 125 125 GLU CA C 13 59.58 0.3 . 1 . . . . 125 GLU CA . 18877 1 200 . 1 1 125 125 GLU CB C 13 28.20 0.3 . 1 . . . . 125 GLU CB . 18877 1 201 . 1 1 125 125 GLU N N 15 117.900 0.3 . 1 . . . . 125 GLU N . 18877 1 202 . 1 1 126 126 GLU H H 1 7.833 0.02 . 1 . . . . 126 GLU H . 18877 1 203 . 1 1 126 126 GLU HA H 1 4.223 0.02 . 1 . . . . 126 GLU HA . 18877 1 204 . 1 1 126 126 GLU HB2 H 1 2.062 0.02 . 2 . . . . 126 GLU HB2 . 18877 1 205 . 1 1 126 126 GLU HB3 H 1 2.326 0.02 . 2 . . . . 126 GLU HB3 . 18877 1 206 . 1 1 126 126 GLU HG2 H 1 2.383 0.02 . 2 . . . . 126 GLU HG2 . 18877 1 207 . 1 1 126 126 GLU C C 13 179.200 0.3 . 1 . . . . 126 GLU C . 18877 1 208 . 1 1 126 126 GLU CA C 13 59.32 0.3 . 1 . . . . 126 GLU CA . 18877 1 209 . 1 1 126 126 GLU CB C 13 29.76 0.3 . 1 . . . . 126 GLU CB . 18877 1 210 . 1 1 126 126 GLU CG C 13 37.67 0.3 . 1 . . . . 126 GLU CG . 18877 1 211 . 1 1 126 126 GLU N N 15 120.700 0.3 . 1 . . . . 126 GLU N . 18877 1 212 . 1 1 127 127 LEU H H 1 8.300 0.02 . 1 . . . . 127 LEU H . 18877 1 213 . 1 1 127 127 LEU HA H 1 4.172 0.02 . 1 . . . . 127 LEU HA . 18877 1 214 . 1 1 127 127 LEU HB2 H 1 1.814 0.02 . 2 . . . . 127 LEU HB2 . 18877 1 215 . 1 1 127 127 LEU HB3 H 1 1.724 0.02 . 2 . . . . 127 LEU HB3 . 18877 1 216 . 1 1 127 127 LEU HD11 H 1 0.940 0.02 . 1 . . . . 127 LEU MD1 . 18877 1 217 . 1 1 127 127 LEU HD12 H 1 0.940 0.02 . 1 . . . . 127 LEU MD1 . 18877 1 218 . 1 1 127 127 LEU HD13 H 1 0.940 0.02 . 1 . . . . 127 LEU MD1 . 18877 1 219 . 1 1 127 127 LEU HD21 H 1 0.973 0.02 . 1 . . . . 127 LEU MD2 . 18877 1 220 . 1 1 127 127 LEU HD22 H 1 0.973 0.02 . 1 . . . . 127 LEU MD2 . 18877 1 221 . 1 1 127 127 LEU HD23 H 1 0.973 0.02 . 1 . . . . 127 LEU MD2 . 18877 1 222 . 1 1 127 127 LEU C C 13 179.200 0.3 . 1 . . . . 127 LEU C . 18877 1 223 . 1 1 127 127 LEU CA C 13 58.39 0.3 . 1 . . . . 127 LEU CA . 18877 1 224 . 1 1 127 127 LEU CB C 13 41.19 0.3 . 1 . . . . 127 LEU CB . 18877 1 225 . 1 1 127 127 LEU CD1 C 13 24.88 0.3 . 1 . . . . 127 LEU CD1 . 18877 1 226 . 1 1 127 127 LEU CD2 C 13 24.40 0.3 . 1 . . . . 127 LEU CD2 . 18877 1 227 . 1 1 127 127 LEU N N 15 119.900 0.3 . 1 . . . . 127 LEU N . 18877 1 228 . 1 1 128 128 GLU H H 1 8.085 0.02 . 1 . . . . 128 GLU H . 18877 1 229 . 1 1 128 128 GLU HA H 1 4.171 0.02 . 1 . . . . 128 GLU HA . 18877 1 230 . 1 1 128 128 GLU HB2 H 1 2.195 0.02 . 2 . . . . 128 GLU HB2 . 18877 1 231 . 1 1 128 128 GLU HB3 H 1 2.224 0.02 . 2 . . . . 128 GLU HB3 . 18877 1 232 . 1 1 128 128 GLU HG2 H 1 2.526 0.02 . 2 . . . . 128 GLU HG2 . 18877 1 233 . 1 1 128 128 GLU C C 13 179.400 0.3 . 1 . . . . 128 GLU C . 18877 1 234 . 1 1 128 128 GLU CA C 13 59.690 0.3 . 1 . . . . 128 GLU CA . 18877 1 235 . 1 1 128 128 GLU CB C 13 29.010 0.3 . 1 . . . . 128 GLU CB . 18877 1 236 . 1 1 128 128 GLU CG C 13 36.430 0.3 . 1 . . . . 128 GLU CG . 18877 1 237 . 1 1 128 128 GLU N N 15 119.200 0.3 . 1 . . . . 128 GLU N . 18877 1 238 . 1 1 129 129 GLU H H 1 7.712 0.02 . 1 . . . . 129 GLU H . 18877 1 239 . 1 1 129 129 GLU HA H 1 4.190 0.02 . 1 . . . . 129 GLU HA . 18877 1 240 . 1 1 129 129 GLU HB2 H 1 2.270 0.02 . 2 . . . . 129 GLU HB2 . 18877 1 241 . 1 1 129 129 GLU HG2 H 1 2.526 0.02 . 2 . . . . 129 GLU HG2 . 18877 1 242 . 1 1 129 129 GLU C C 13 179.700 0.3 . 1 . . . . 129 GLU C . 18877 1 243 . 1 1 129 129 GLU CA C 13 59.45 0.3 . 1 . . . . 129 GLU CA . 18877 1 244 . 1 1 129 129 GLU CB C 13 29.14 0.3 . 1 . . . . 129 GLU CB . 18877 1 245 . 1 1 129 129 GLU CG C 13 36.35 0.3 . 1 . . . . 129 GLU CG . 18877 1 246 . 1 1 129 129 GLU N N 15 120.200 0.3 . 1 . . . . 129 GLU N . 18877 1 247 . 1 1 130 130 LEU H H 1 8.161 0.02 . 1 . . . . 130 LEU H . 18877 1 248 . 1 1 130 130 LEU HA H 1 4.367 0.02 . 1 . . . . 130 LEU HA . 18877 1 249 . 1 1 130 130 LEU HB2 H 1 2.140 0.02 . 2 . . . . 130 LEU HB2 . 18877 1 250 . 1 1 130 130 LEU HB3 H 1 2.338 0.02 . 2 . . . . 130 LEU HB3 . 18877 1 251 . 1 1 130 130 LEU C C 13 178.600 0.3 . 1 . . . . 130 LEU C . 18877 1 252 . 1 1 130 130 LEU CA C 13 58.500 0.3 . 1 . . . . 130 LEU CA . 18877 1 253 . 1 1 130 130 LEU CB C 13 41.340 0.3 . 1 . . . . 130 LEU CB . 18877 1 254 . 1 1 130 130 LEU N N 15 120.300 0.3 . 1 . . . . 130 LEU N . 18877 1 255 . 1 1 131 131 GLN H H 1 8.747 0.02 . 1 . . . . 131 GLN H . 18877 1 256 . 1 1 131 131 GLN HA H 1 3.711 0.02 . 1 . . . . 131 GLN HA . 18877 1 257 . 1 1 131 131 GLN HB2 H 1 2.009 0.02 . 2 . . . . 131 GLN HB2 . 18877 1 258 . 1 1 131 131 GLN HB3 H 1 1.807 0.02 . 2 . . . . 131 GLN HB3 . 18877 1 259 . 1 1 131 131 GLN HG2 H 1 1.880 0.02 . 2 . . . . 131 GLN HG2 . 18877 1 260 . 1 1 131 131 GLN HG3 H 1 1.797 0.02 . 2 . . . . 131 GLN HG3 . 18877 1 261 . 1 1 131 131 GLN HE21 H 1 6.364 0.02 . 2 . . . . 131 GLN HE21 . 18877 1 262 . 1 1 131 131 GLN HE22 H 1 7.039 0.02 . 2 . . . . 131 GLN HE22 . 18877 1 263 . 1 1 131 131 GLN C C 13 177.800 0.3 . 1 . . . . 131 GLN C . 18877 1 264 . 1 1 131 131 GLN CA C 13 59.300 0.3 . 1 . . . . 131 GLN CA . 18877 1 265 . 1 1 131 131 GLN CB C 13 27.660 0.3 . 1 . . . . 131 GLN CB . 18877 1 266 . 1 1 131 131 GLN CG C 13 33.520 0.3 . 1 . . . . 131 GLN CG . 18877 1 267 . 1 1 131 131 GLN N N 15 120.200 0.3 . 1 . . . . 131 GLN N . 18877 1 268 . 1 1 131 131 GLN NE2 N 15 110.400 0.3 . 1 . . . . 131 GLN NE2 . 18877 1 269 . 1 1 132 132 ALA H H 1 7.991 0.02 . 1 . . . . 132 ALA H . 18877 1 270 . 1 1 132 132 ALA HA H 1 4.168 0.02 . 1 . . . . 132 ALA HA . 18877 1 271 . 1 1 132 132 ALA HB1 H 1 1.555 0.02 . 1 . . . . 132 ALA MB . 18877 1 272 . 1 1 132 132 ALA HB2 H 1 1.555 0.02 . 1 . . . . 132 ALA MB . 18877 1 273 . 1 1 132 132 ALA HB3 H 1 1.555 0.02 . 1 . . . . 132 ALA MB . 18877 1 274 . 1 1 132 132 ALA C C 13 180.600 0.3 . 1 . . . . 132 ALA C . 18877 1 275 . 1 1 132 132 ALA CA C 13 54.940 0.3 . 1 . . . . 132 ALA CA . 18877 1 276 . 1 1 132 132 ALA CB C 13 17.610 0.3 . 1 . . . . 132 ALA CB . 18877 1 277 . 1 1 132 132 ALA N N 15 120.600 0.3 . 1 . . . . 132 ALA N . 18877 1 278 . 1 1 133 133 ALA H H 1 7.766 0.02 . 1 . . . . 133 ALA H . 18877 1 279 . 1 1 133 133 ALA HA H 1 4.340 0.02 . 1 . . . . 133 ALA HA . 18877 1 280 . 1 1 133 133 ALA HB1 H 1 1.690 0.02 . 1 . . . . 133 ALA MB . 18877 1 281 . 1 1 133 133 ALA HB2 H 1 1.690 0.02 . 1 . . . . 133 ALA MB . 18877 1 282 . 1 1 133 133 ALA HB3 H 1 1.690 0.02 . 1 . . . . 133 ALA MB . 18877 1 283 . 1 1 133 133 ALA C C 13 178.500 0.3 . 1 . . . . 133 ALA C . 18877 1 284 . 1 1 133 133 ALA CA C 13 55.05 0.3 . 1 . . . . 133 ALA CA . 18877 1 285 . 1 1 133 133 ALA CB C 13 18.14 0.3 . 1 . . . . 133 ALA CB . 18877 1 286 . 1 1 133 133 ALA N N 15 120.900 0.3 . 1 . . . . 133 ALA N . 18877 1 287 . 1 1 134 134 PHE H H 1 8.373 0.02 . 1 . . . . 134 PHE H . 18877 1 288 . 1 1 134 134 PHE HA H 1 3.690 0.02 . 1 . . . . 134 PHE HA . 18877 1 289 . 1 1 134 134 PHE HB2 H 1 2.890 0.02 . 2 . . . . 134 PHE HB2 . 18877 1 290 . 1 1 134 134 PHE HB3 H 1 3.270 0.02 . 2 . . . . 134 PHE HB3 . 18877 1 291 . 1 1 134 134 PHE HD1 H 1 6.584 0.02 . 3 . . . . 134 PHE HD1 . 18877 1 292 . 1 1 134 134 PHE HE1 H 1 6.961 0.02 . 3 . . . . 134 PHE HE1 . 18877 1 293 . 1 1 134 134 PHE HZ H 1 7.417 0.02 . 1 . . . . 134 PHE HZ . 18877 1 294 . 1 1 134 134 PHE C C 13 177.400 0.3 . 1 . . . . 134 PHE C . 18877 1 295 . 1 1 134 134 PHE CA C 13 62.15 0.3 . 1 . . . . 134 PHE CA . 18877 1 296 . 1 1 134 134 PHE CB C 13 39.88 0.3 . 1 . . . . 134 PHE CB . 18877 1 297 . 1 1 134 134 PHE N N 15 119.200 0.3 . 1 . . . . 134 PHE N . 18877 1 298 . 1 1 135 135 GLU H H 1 8.527 0.02 . 1 . . . . 135 GLU H . 18877 1 299 . 1 1 135 135 GLU HA H 1 3.976 0.02 . 1 . . . . 135 GLU HA . 18877 1 300 . 1 1 135 135 GLU HB2 H 1 2.126 0.02 . 2 . . . . 135 GLU HB2 . 18877 1 301 . 1 1 135 135 GLU C C 13 179.100 0.3 . 1 . . . . 135 GLU C . 18877 1 302 . 1 1 135 135 GLU CA C 13 59.30 0.3 . 1 . . . . 135 GLU CA . 18877 1 303 . 1 1 135 135 GLU CB C 13 29.10 0.3 . 1 . . . . 135 GLU CB . 18877 1 304 . 1 1 135 135 GLU N N 15 115.400 0.3 . 1 . . . . 135 GLU N . 18877 1 305 . 1 1 136 136 GLU H H 1 7.631 0.02 . 1 . . . . 136 GLU H . 18877 1 306 . 1 1 136 136 GLU HA H 1 3.892 0.02 . 1 . . . . 136 GLU HA . 18877 1 307 . 1 1 136 136 GLU HB2 H 1 2.093 0.02 . 2 . . . . 136 GLU HB2 . 18877 1 308 . 1 1 136 136 GLU HG2 H 1 2.085 0.02 . 2 . . . . 136 GLU HG2 . 18877 1 309 . 1 1 136 136 GLU HG3 H 1 1.865 0.02 . 2 . . . . 136 GLU HG3 . 18877 1 310 . 1 1 136 136 GLU C C 13 177.700 0.3 . 1 . . . . 136 GLU C . 18877 1 311 . 1 1 136 136 GLU CA C 13 58.770 0.3 . 1 . . . . 136 GLU CA . 18877 1 312 . 1 1 136 136 GLU CB C 13 28.770 0.3 . 1 . . . . 136 GLU CB . 18877 1 313 . 1 1 136 136 GLU CG C 13 35.74 0.3 . 1 . . . . 136 GLU CG . 18877 1 314 . 1 1 136 136 GLU N N 15 118.200 0.3 . 1 . . . . 136 GLU N . 18877 1 315 . 1 1 137 137 PHE H H 1 7.420 0.02 . 1 . . . . 137 PHE H . 18877 1 316 . 1 1 137 137 PHE HA H 1 4.290 0.02 . 1 . . . . 137 PHE HA . 18877 1 317 . 1 1 137 137 PHE HB2 H 1 2.660 0.02 . 2 . . . . 137 PHE HB2 . 18877 1 318 . 1 1 137 137 PHE HB3 H 1 3.040 0.02 . 2 . . . . 137 PHE HB3 . 18877 1 319 . 1 1 137 137 PHE HD1 H 1 7.552 0.02 . 3 . . . . 137 PHE HD1 . 18877 1 320 . 1 1 137 137 PHE HE1 H 1 7.377 0.02 . 3 . . . . 137 PHE HE1 . 18877 1 321 . 1 1 137 137 PHE HZ H 1 7.204 0.02 . 1 . . . . 137 PHE HZ . 18877 1 322 . 1 1 137 137 PHE C C 13 175.800 0.3 . 1 . . . . 137 PHE C . 18877 1 323 . 1 1 137 137 PHE CA C 13 59.81 0.3 . 1 . . . . 137 PHE CA . 18877 1 324 . 1 1 137 137 PHE CB C 13 39.34 0.3 . 1 . . . . 137 PHE CB . 18877 1 325 . 1 1 137 137 PHE N N 15 114.700 0.3 . 1 . . . . 137 PHE N . 18877 1 326 . 1 1 138 138 ASP H H 1 7.735 0.02 . 1 . . . . 138 ASP H . 18877 1 327 . 1 1 138 138 ASP HA H 1 5.000 0.02 . 1 . . . . 138 ASP HA . 18877 1 328 . 1 1 138 138 ASP HB2 H 1 2.724 0.02 . 2 . . . . 138 ASP HB2 . 18877 1 329 . 1 1 138 138 ASP HB3 H 1 1.907 0.02 . 2 . . . . 138 ASP HB3 . 18877 1 330 . 1 1 138 138 ASP C C 13 178.50 0.3 . 1 . . . . 138 ASP C . 18877 1 331 . 1 1 138 138 ASP CA C 13 52.52 0.3 . 1 . . . . 138 ASP CA . 18877 1 332 . 1 1 138 138 ASP CB C 13 38.34 0.3 . 1 . . . . 138 ASP CB . 18877 1 333 . 1 1 138 138 ASP N N 15 122.30 0.3 . 1 . . . . 138 ASP N . 18877 1 334 . 1 1 139 139 THR H H 1 7.860 0.02 . 1 . . . . 139 THR H . 18877 1 335 . 1 1 139 139 THR HA H 1 3.990 0.02 . 1 . . . . 139 THR HA . 18877 1 336 . 1 1 139 139 THR HB H 1 4.285 0.02 . 1 . . . . 139 THR HB . 18877 1 337 . 1 1 139 139 THR HG21 H 1 1.284 0.02 . 1 . . . . 139 THR MG . 18877 1 338 . 1 1 139 139 THR HG22 H 1 1.284 0.02 . 1 . . . . 139 THR MG . 18877 1 339 . 1 1 139 139 THR HG23 H 1 1.284 0.02 . 1 . . . . 139 THR MG . 18877 1 340 . 1 1 139 139 THR C C 13 175.600 0.3 . 1 . . . . 139 THR C . 18877 1 341 . 1 1 139 139 THR CA C 13 65.16 0.3 . 1 . . . . 139 THR CA . 18877 1 342 . 1 1 139 139 THR CB C 13 68.54 0.3 . 1 . . . . 139 THR CB . 18877 1 343 . 1 1 139 139 THR CG2 C 13 22.32 0.3 . 1 . . . . 139 THR CG2 . 18877 1 344 . 1 1 139 139 THR N N 15 114.900 0.3 . 1 . . . . 139 THR N . 18877 1 345 . 1 1 140 140 ASP H H 1 8.193 0.02 . 1 . . . . 140 ASP H . 18877 1 346 . 1 1 140 140 ASP HA H 1 4.603 0.02 . 1 . . . . 140 ASP HA . 18877 1 347 . 1 1 140 140 ASP HB2 H 1 3.010 0.02 . 2 . . . . 140 ASP HB2 . 18877 1 348 . 1 1 140 140 ASP C C 13 175.300 0.3 . 1 . . . . 140 ASP C . 18877 1 349 . 1 1 140 140 ASP CA C 13 52.990 0.3 . 1 . . . . 140 ASP CA . 18877 1 350 . 1 1 140 140 ASP CB C 13 39.100 0.3 . 1 . . . . 140 ASP CB . 18877 1 351 . 1 1 140 140 ASP N N 15 116.900 0.3 . 1 . . . . 140 ASP N . 18877 1 352 . 1 1 141 141 GLN H H 1 7.733 0.02 . 1 . . . . 141 GLN H . 18877 1 353 . 1 1 141 141 GLN HA H 1 3.949 0.02 . 1 . . . . 141 GLN HA . 18877 1 354 . 1 1 141 141 GLN HB2 H 1 2.170 0.02 . 2 . . . . 141 GLN HB2 . 18877 1 355 . 1 1 141 141 GLN HB3 H 1 2.374 0.02 . 2 . . . . 141 GLN HB3 . 18877 1 356 . 1 1 141 141 GLN HG2 H 1 2.250 0.02 . 2 . . . . 141 GLN HG2 . 18877 1 357 . 1 1 141 141 GLN HG3 H 1 2.340 0.02 . 2 . . . . 141 GLN HG3 . 18877 1 358 . 1 1 141 141 GLN HE21 H 1 7.547 0.02 . 2 . . . . 141 GLN HE21 . 18877 1 359 . 1 1 141 141 GLN HE22 H 1 6.718 0.02 . 2 . . . . 141 GLN HE22 . 18877 1 360 . 1 1 141 141 GLN C C 13 175.200 0.3 . 1 . . . . 141 GLN C . 18877 1 361 . 1 1 141 141 GLN CA C 13 57.250 0.3 . 1 . . . . 141 GLN CA . 18877 1 362 . 1 1 141 141 GLN CB C 13 26.140 0.3 . 1 . . . . 141 GLN CB . 18877 1 363 . 1 1 141 141 GLN CG C 13 34.53 0.3 . 1 . . . . 141 GLN CG . 18877 1 364 . 1 1 141 141 GLN N N 15 114.600 0.3 . 1 . . . . 141 GLN N . 18877 1 365 . 1 1 141 141 GLN NE2 N 15 113.000 0.3 . 1 . . . . 141 GLN NE2 . 18877 1 366 . 1 1 142 142 ASP H H 1 8.364 0.02 . 1 . . . . 142 ASP H . 18877 1 367 . 1 1 142 142 ASP HA H 1 4.762 0.02 . 1 . . . . 142 ASP HA . 18877 1 368 . 1 1 142 142 ASP HB2 H 1 3.124 0.02 . 2 . . . . 142 ASP HB2 . 18877 1 369 . 1 1 142 142 ASP HB3 H 1 2.552 0.02 . 2 . . . . 142 ASP HB3 . 18877 1 370 . 1 1 142 142 ASP C C 13 177.200 0.3 . 1 . . . . 142 ASP C . 18877 1 371 . 1 1 142 142 ASP CA C 13 53.33 0.3 . 1 . . . . 142 ASP CA . 18877 1 372 . 1 1 142 142 ASP CB C 13 41.00 0.3 . 1 . . . . 142 ASP CB . 18877 1 373 . 1 1 142 142 ASP N N 15 118.300 0.3 . 1 . . . . 142 ASP N . 18877 1 374 . 1 1 143 143 GLY H H 1 10.31 0.02 . 1 . . . . 143 GLY H . 18877 1 375 . 1 1 143 143 GLY HA2 H 1 3.581 0.02 . 2 . . . . 143 GLY HA2 . 18877 1 376 . 1 1 143 143 GLY HA3 H 1 4.158 0.02 . 2 . . . . 143 GLY HA3 . 18877 1 377 . 1 1 143 143 GLY C C 13 173.30 0.3 . 1 . . . . 143 GLY C . 18877 1 378 . 1 1 143 143 GLY CA C 13 45.04 0.3 . 1 . . . . 143 GLY CA . 18877 1 379 . 1 1 143 143 GLY N N 15 112.10 0.3 . 1 . . . . 143 GLY N . 18877 1 380 . 1 1 144 144 TYR H H 1 7.987 0.02 . 1 . . . . 144 TYR H . 18877 1 381 . 1 1 144 144 TYR HA H 1 5.690 0.02 . 1 . . . . 144 TYR HA . 18877 1 382 . 1 1 144 144 TYR HB2 H 1 2.842 0.02 . 2 . . . . 144 TYR HB2 . 18877 1 383 . 1 1 144 144 TYR HD1 H 1 6.840 0.02 . 3 . . . . 144 TYR HD1 . 18877 1 384 . 1 1 144 144 TYR HE1 H 1 6.929 0.02 . 3 . . . . 144 TYR HE1 . 18877 1 385 . 1 1 144 144 TYR C C 13 176.60 0.3 . 1 . . . . 144 TYR C . 18877 1 386 . 1 1 144 144 TYR CA C 13 56.76 0.3 . 1 . . . . 144 TYR CA . 18877 1 387 . 1 1 144 144 TYR CB C 13 42.22 0.3 . 1 . . . . 144 TYR CB . 18877 1 388 . 1 1 144 144 TYR N N 15 116.20 0.3 . 1 . . . . 144 TYR N . 18877 1 389 . 1 1 145 145 ILE H H 1 9.430 0.02 . 1 . . . . 145 ILE H . 18877 1 390 . 1 1 145 145 ILE HA H 1 4.913 0.02 . 1 . . . . 145 ILE HA . 18877 1 391 . 1 1 145 145 ILE HB H 1 1.834 0.02 . 1 . . . . 145 ILE HB . 18877 1 392 . 1 1 145 145 ILE HG12 H 1 0.933 0.02 . 2 . . . . 145 ILE HG12 . 18877 1 393 . 1 1 145 145 ILE HG13 H 1 1.235 0.02 . 2 . . . . 145 ILE HG13 . 18877 1 394 . 1 1 145 145 ILE HG21 H 1 0.383 0.02 . 1 . . . . 145 ILE MG . 18877 1 395 . 1 1 145 145 ILE HG22 H 1 0.383 0.02 . 1 . . . . 145 ILE MG . 18877 1 396 . 1 1 145 145 ILE HG23 H 1 0.383 0.02 . 1 . . . . 145 ILE MG . 18877 1 397 . 1 1 145 145 ILE HD11 H 1 0.363 0.02 . 1 . . . . 145 ILE MD . 18877 1 398 . 1 1 145 145 ILE HD12 H 1 0.363 0.02 . 1 . . . . 145 ILE MD . 18877 1 399 . 1 1 145 145 ILE HD13 H 1 0.363 0.02 . 1 . . . . 145 ILE MD . 18877 1 400 . 1 1 145 145 ILE C C 13 175.10 0.3 . 1 . . . . 145 ILE C . 18877 1 401 . 1 1 145 145 ILE CA C 13 60.20 0.3 . 1 . . . . 145 ILE CA . 18877 1 402 . 1 1 145 145 ILE CB C 13 40.42 0.3 . 1 . . . . 145 ILE CB . 18877 1 403 . 1 1 145 145 ILE CG1 C 13 25.65 0.3 . 1 . . . . 145 ILE CG1 . 18877 1 404 . 1 1 145 145 ILE CG2 C 13 16.61 0.3 . 1 . . . . 145 ILE CG2 . 18877 1 405 . 1 1 145 145 ILE CD1 C 13 13.62 0.3 . 1 . . . . 145 ILE CD1 . 18877 1 406 . 1 1 145 145 ILE N N 15 119.00 0.3 . 1 . . . . 145 ILE N . 18877 1 407 . 1 1 146 146 GLY H H 1 8.643 0.02 . 1 . . . . 146 GLY H . 18877 1 408 . 1 1 146 146 GLY C C 13 175.200 0.3 . 1 . . . . 146 GLY C . 18877 1 409 . 1 1 146 146 GLY CA C 13 44.58 0.3 . 1 . . . . 146 GLY CA . 18877 1 410 . 1 1 146 146 GLY N N 15 109.90 0.3 . 1 . . . . 146 GLY N . 18877 1 411 . 1 1 147 147 TYR H H 1 7.689 0.02 . 1 . . . . 147 TYR H . 18877 1 412 . 1 1 147 147 TYR HA H 1 4.128 0.02 . 1 . . . . 147 TYR HA . 18877 1 413 . 1 1 147 147 TYR HB2 H 1 2.753 0.02 . 2 . . . . 147 TYR HB2 . 18877 1 414 . 1 1 147 147 TYR HB3 H 1 3.168 0.02 . 2 . . . . 147 TYR HB3 . 18877 1 415 . 1 1 147 147 TYR HD1 H 1 7.083 0.02 . 3 . . . . 147 TYR HD1 . 18877 1 416 . 1 1 147 147 TYR HE1 H 1 6.843 0.02 . 3 . . . . 147 TYR HE1 . 18877 1 417 . 1 1 147 147 TYR C C 13 177.200 0.3 . 1 . . . . 147 TYR C . 18877 1 418 . 1 1 147 147 TYR CA C 13 60.500 0.3 . 1 . . . . 147 TYR CA . 18877 1 419 . 1 1 147 147 TYR CB C 13 37.130 0.3 . 1 . . . . 147 TYR CB . 18877 1 420 . 1 1 147 147 TYR N N 15 116.900 0.3 . 1 . . . . 147 TYR N . 18877 1 421 . 1 1 148 148 ARG H H 1 8.048 0.02 . 1 . . . . 148 ARG H . 18877 1 422 . 1 1 148 148 ARG HA H 1 3.944 0.02 . 1 . . . . 148 ARG HA . 18877 1 423 . 1 1 148 148 ARG C C 13 173.700 0.3 . 1 . . . . 148 ARG C . 18877 1 424 . 1 1 148 148 ARG CA C 13 58.80 0.3 . 1 . . . . 148 ARG CA . 18877 1 425 . 1 1 148 148 ARG CB C 13 28.90 0.3 . 1 . . . . 148 ARG CB . 18877 1 426 . 1 1 148 148 ARG N N 15 121.200 0.3 . 1 . . . . 148 ARG N . 18877 1 427 . 1 1 149 149 GLU H H 1 8.062 0.02 . 1 . . . . 149 GLU H . 18877 1 428 . 1 1 149 149 GLU HA H 1 4.317 0.02 . 1 . . . . 149 GLU HA . 18877 1 429 . 1 1 149 149 GLU HG2 H 1 2.395 0.02 . 2 . . . . 149 GLU HG2 . 18877 1 430 . 1 1 149 149 GLU C C 13 177.100 0.3 . 1 . . . . 149 GLU C . 18877 1 431 . 1 1 149 149 GLU CA C 13 58.50 0.3 . 1 . . . . 149 GLU CA . 18877 1 432 . 1 1 149 149 GLU CB C 13 29.44 0.3 . 1 . . . . 149 GLU CB . 18877 1 433 . 1 1 149 149 GLU CG C 13 37.57 0.3 . 1 . . . . 149 GLU CG . 18877 1 434 . 1 1 149 149 GLU N N 15 118.500 0.3 . 1 . . . . 149 GLU N . 18877 1 435 . 1 1 150 150 LEU H H 1 7.716 0.02 . 1 . . . . 150 LEU H . 18877 1 436 . 1 1 150 150 LEU HA H 1 3.780 0.02 . 1 . . . . 150 LEU HA . 18877 1 437 . 1 1 150 150 LEU HB2 H 1 1.706 0.02 . 2 . . . . 150 LEU HB2 . 18877 1 438 . 1 1 150 150 LEU HD21 H 1 0.943 0.02 . 1 . . . . 150 LEU MD2 . 18877 1 439 . 1 1 150 150 LEU HD22 H 1 0.943 0.02 . 1 . . . . 150 LEU MD2 . 18877 1 440 . 1 1 150 150 LEU HD23 H 1 0.943 0.02 . 1 . . . . 150 LEU MD2 . 18877 1 441 . 1 1 150 150 LEU CA C 13 58.55 0.3 . 1 . . . . 150 LEU CA . 18877 1 442 . 1 1 150 150 LEU CB C 13 41.43 0.3 . 1 . . . . 150 LEU CB . 18877 1 443 . 1 1 150 150 LEU CD2 C 13 25.60 0.3 . 1 . . . . 150 LEU CD2 . 18877 1 444 . 1 1 150 150 LEU N N 15 119.300 0.3 . 1 . . . . 150 LEU N . 18877 1 445 . 1 1 151 151 GLY H H 1 8.231 0.02 . 1 . . . . 151 GLY H . 18877 1 446 . 1 1 151 151 GLY HA2 H 1 3.620 0.02 . 2 . . . . 151 GLY HA2 . 18877 1 447 . 1 1 151 151 GLY HA3 H 1 3.893 0.02 . 2 . . . . 151 GLY HA3 . 18877 1 448 . 1 1 151 151 GLY C C 13 175.40 0.3 . 1 . . . . 151 GLY C . 18877 1 449 . 1 1 151 151 GLY CA C 13 47.93 0.3 . 1 . . . . 151 GLY CA . 18877 1 450 . 1 1 151 151 GLY N N 15 106.30 0.3 . 1 . . . . 151 GLY N . 18877 1 451 . 1 1 152 152 ASP H H 1 7.754 0.02 . 1 . . . . 152 ASP H . 18877 1 452 . 1 1 152 152 ASP HA H 1 4.384 0.02 . 1 . . . . 152 ASP HA . 18877 1 453 . 1 1 152 152 ASP HB2 H 1 2.570 0.02 . 2 . . . . 152 ASP HB2 . 18877 1 454 . 1 1 152 152 ASP C C 13 178.300 0.3 . 1 . . . . 152 ASP C . 18877 1 455 . 1 1 152 152 ASP CA C 13 57.43 0.3 . 1 . . . . 152 ASP CA . 18877 1 456 . 1 1 152 152 ASP CB C 13 40.19 0.3 . 1 . . . . 152 ASP CB . 18877 1 457 . 1 1 152 152 ASP N N 15 121.70 0.3 . 1 . . . . 152 ASP N . 18877 1 458 . 1 1 153 153 CYS H H 1 7.962 0.02 . 1 . . . . 153 CYS H . 18877 1 459 . 1 1 153 153 CYS HA H 1 3.374 0.02 . 1 . . . . 153 CYS HA . 18877 1 460 . 1 1 153 153 CYS HB2 H 1 2.226 0.02 . 2 . . . . 153 CYS HB2 . 18877 1 461 . 1 1 153 153 CYS HB3 H 1 2.599 0.02 . 2 . . . . 153 CYS HB3 . 18877 1 462 . 1 1 153 153 CYS C C 13 176.800 0.3 . 1 . . . . 153 CYS C . 18877 1 463 . 1 1 153 153 CYS CA C 13 62.81 0.3 . 1 . . . . 153 CYS CA . 18877 1 464 . 1 1 153 153 CYS CB C 13 26.22 0.3 . 1 . . . . 153 CYS CB . 18877 1 465 . 1 1 153 153 CYS N N 15 121.800 0.3 . 1 . . . . 153 CYS N . 18877 1 466 . 1 1 154 154 MET H H 1 8.409 0.02 . 1 . . . . 154 MET H . 18877 1 467 . 1 1 154 154 MET HA H 1 3.990 0.02 . 1 . . . . 154 MET HA . 18877 1 468 . 1 1 154 154 MET HB2 H 1 2.340 0.02 . 2 . . . . 154 MET HB2 . 18877 1 469 . 1 1 154 154 MET C C 13 178.100 0.3 . 1 . . . . 154 MET C . 18877 1 470 . 1 1 154 154 MET CA C 13 60.52 0.3 . 1 . . . . 154 MET CA . 18877 1 471 . 1 1 154 154 MET CB C 13 32.28 0.3 . 1 . . . . 154 MET CB . 18877 1 472 . 1 1 154 154 MET N N 15 116.800 0.3 . 1 . . . . 154 MET N . 18877 1 473 . 1 1 155 155 ARG H H 1 8.109 0.02 . 1 . . . . 155 ARG H . 18877 1 474 . 1 1 155 155 ARG HA H 1 4.384 0.02 . 1 . . . . 155 ARG HA . 18877 1 475 . 1 1 155 155 ARG C C 13 180.700 0.3 . 1 . . . . 155 ARG C . 18877 1 476 . 1 1 155 155 ARG CA C 13 59.59 0.3 . 1 . . . . 155 ARG CA . 18877 1 477 . 1 1 155 155 ARG CB C 13 29.70 0.3 . 1 . . . . 155 ARG CB . 18877 1 478 . 1 1 155 155 ARG N N 15 118.200 0.3 . 1 . . . . 155 ARG N . 18877 1 479 . 1 1 156 156 THR H H 1 8.056 0.02 . 1 . . . . 156 THR H . 18877 1 480 . 1 1 156 156 THR HA H 1 4.181 0.02 . 1 . . . . 156 THR HA . 18877 1 481 . 1 1 156 156 THR HB H 1 4.533 0.02 . 1 . . . . 156 THR HB . 18877 1 482 . 1 1 156 156 THR HG21 H 1 1.550 0.02 . 1 . . . . 156 THR MG . 18877 1 483 . 1 1 156 156 THR HG22 H 1 1.550 0.02 . 1 . . . . 156 THR MG . 18877 1 484 . 1 1 156 156 THR HG23 H 1 1.550 0.02 . 1 . . . . 156 THR MG . 18877 1 485 . 1 1 156 156 THR C C 13 175.600 0.3 . 1 . . . . 156 THR C . 18877 1 486 . 1 1 156 156 THR CA C 13 66.17 0.3 . 1 . . . . 156 THR CA . 18877 1 487 . 1 1 156 156 THR CB C 13 69.10 0.3 . 1 . . . . 156 THR CB . 18877 1 488 . 1 1 156 156 THR CG2 C 13 21.76 0.3 . 1 . . . . 156 THR CG2 . 18877 1 489 . 1 1 156 156 THR N N 15 116.600 0.3 . 1 . . . . 156 THR N . 18877 1 490 . 1 1 157 157 LEU H H 1 7.533 0.02 . 1 . . . . 157 LEU H . 18877 1 491 . 1 1 157 157 LEU HA H 1 4.393 0.02 . 1 . . . . 157 LEU HA . 18877 1 492 . 1 1 157 157 LEU HB2 H 1 1.750 0.02 . 2 . . . . 157 LEU HB2 . 18877 1 493 . 1 1 157 157 LEU HB3 H 1 1.984 0.02 . 2 . . . . 157 LEU HB3 . 18877 1 494 . 1 1 157 157 LEU HD11 H 1 0.017 0.02 . 1 . . . . 157 LEU MD1 . 18877 1 495 . 1 1 157 157 LEU HD12 H 1 0.017 0.02 . 1 . . . . 157 LEU MD1 . 18877 1 496 . 1 1 157 157 LEU HD13 H 1 0.017 0.02 . 1 . . . . 157 LEU MD1 . 18877 1 497 . 1 1 157 157 LEU HD21 H 1 1.055 0.02 . 1 . . . . 157 LEU MD2 . 18877 1 498 . 1 1 157 157 LEU HD22 H 1 1.055 0.02 . 1 . . . . 157 LEU MD2 . 18877 1 499 . 1 1 157 157 LEU HD23 H 1 1.055 0.02 . 1 . . . . 157 LEU MD2 . 18877 1 500 . 1 1 157 157 LEU C C 13 176.600 0.3 . 1 . . . . 157 LEU C . 18877 1 501 . 1 1 157 157 LEU CA C 13 55.49 0.3 . 1 . . . . 157 LEU CA . 18877 1 502 . 1 1 157 157 LEU CB C 13 42.25 0.3 . 1 . . . . 157 LEU CB . 18877 1 503 . 1 1 157 157 LEU CD1 C 13 26.74 0.3 . 1 . . . . 157 LEU CD1 . 18877 1 504 . 1 1 157 157 LEU CD2 C 13 23.52 0.3 . 1 . . . . 157 LEU CD2 . 18877 1 505 . 1 1 157 157 LEU N N 15 120.200 0.3 . 1 . . . . 157 LEU N . 18877 1 506 . 1 1 158 158 GLY H H 1 7.794 0.02 . 1 . . . . 158 GLY H . 18877 1 507 . 1 1 158 158 GLY HA2 H 1 3.690 0.02 . 2 . . . . 158 GLY HA2 . 18877 1 508 . 1 1 158 158 GLY HA3 H 1 4.186 0.02 . 2 . . . . 158 GLY HA3 . 18877 1 509 . 1 1 158 158 GLY C C 13 173.800 0.3 . 1 . . . . 158 GLY C . 18877 1 510 . 1 1 158 158 GLY CA C 13 45.33 0.3 . 1 . . . . 158 GLY CA . 18877 1 511 . 1 1 158 158 GLY N N 15 105.500 0.3 . 1 . . . . 158 GLY N . 18877 1 512 . 1 1 159 159 TYR H H 1 7.759 0.02 . 1 . . . . 159 TYR H . 18877 1 513 . 1 1 159 159 TYR HA H 1 4.640 0.02 . 1 . . . . 159 TYR HA . 18877 1 514 . 1 1 159 159 TYR HB2 H 1 2.668 0.02 . 2 . . . . 159 TYR HB2 . 18877 1 515 . 1 1 159 159 TYR HB3 H 1 2.893 0.02 . 2 . . . . 159 TYR HB3 . 18877 1 516 . 1 1 159 159 TYR C C 13 120.70 0.3 . 1 . . . . 159 TYR C . 18877 1 517 . 1 1 159 159 TYR CA C 13 57.32 0.3 . 1 . . . . 159 TYR CA . 18877 1 518 . 1 1 159 159 TYR CB C 13 39.08 0.3 . 1 . . . . 159 TYR CB . 18877 1 519 . 1 1 159 159 TYR N N 15 120.700 0.3 . 1 . . . . 159 TYR N . 18877 1 520 . 1 1 161 161 PRO C C 13 177.500 0.3 . 1 . . . . 161 PRO C . 18877 1 521 . 1 1 161 161 PRO CA C 13 62.62 0.3 . 1 . . . . 161 PRO CA . 18877 1 522 . 1 1 161 161 PRO CB C 13 31.52 0.3 . 1 . . . . 161 PRO CB . 18877 1 523 . 1 1 162 162 THR H H 1 8.474 0.02 . 1 . . . . 162 THR H . 18877 1 524 . 1 1 162 162 THR HA H 1 4.460 0.02 . 1 . . . . 162 THR HA . 18877 1 525 . 1 1 162 162 THR HB H 1 4.670 0.02 . 1 . . . . 162 THR HB . 18877 1 526 . 1 1 162 162 THR HG21 H 1 1.374 0.02 . 1 . . . . 162 THR MG . 18877 1 527 . 1 1 162 162 THR HG22 H 1 1.374 0.02 . 1 . . . . 162 THR MG . 18877 1 528 . 1 1 162 162 THR HG23 H 1 1.374 0.02 . 1 . . . . 162 THR MG . 18877 1 529 . 1 1 162 162 THR C C 13 175.200 0.3 . 1 . . . . 162 THR C . 18877 1 530 . 1 1 162 162 THR CA C 13 61.18 0.3 . 1 . . . . 162 THR CA . 18877 1 531 . 1 1 162 162 THR CB C 13 70.83 0.3 . 1 . . . . 162 THR CB . 18877 1 532 . 1 1 162 162 THR CG2 C 13 22.00 0.3 . 1 . . . . 162 THR CG2 . 18877 1 533 . 1 1 162 162 THR N N 15 112.100 0.3 . 1 . . . . 162 THR N . 18877 1 534 . 1 1 163 163 GLU H H 1 8.820 0.02 . 1 . . . . 163 GLU H . 18877 1 535 . 1 1 163 163 GLU C C 13 179.200 0.3 . 1 . . . . 163 GLU C . 18877 1 536 . 1 1 163 163 GLU CA C 13 59.78 0.3 . 1 . . . . 163 GLU CA . 18877 1 537 . 1 1 163 163 GLU CB C 13 29.00 0.3 . 1 . . . . 163 GLU CB . 18877 1 538 . 1 1 163 163 GLU N N 15 120.900 0.3 . 1 . . . . 163 GLU N . 18877 1 539 . 1 1 164 164 MET H H 1 8.347 0.02 . 1 . . . . 164 MET H . 18877 1 540 . 1 1 164 164 MET HA H 1 4.300 0.02 . 1 . . . . 164 MET HA . 18877 1 541 . 1 1 164 164 MET HB2 H 1 2.082 0.02 . 2 . . . . 164 MET HB2 . 18877 1 542 . 1 1 164 164 MET CA C 13 58.27 0.3 . 1 . . . . 164 MET CA . 18877 1 543 . 1 1 164 164 MET CB C 13 31.65 0.3 . 1 . . . . 164 MET CB . 18877 1 544 . 1 1 164 164 MET N N 15 117.300 0.3 . 1 . . . . 164 MET N . 18877 1 545 . 1 1 166 166 LEU H H 1 8.145 0.02 . 1 . . . . 166 LEU H . 18877 1 546 . 1 1 166 166 LEU HA H 1 4.120 0.02 . 1 . . . . 166 LEU HA . 18877 1 547 . 1 1 166 166 LEU HB2 H 1 1.745 0.02 . 2 . . . . 166 LEU HB2 . 18877 1 548 . 1 1 166 166 LEU HD11 H 1 0.912 0.02 . 2 . . . . 166 LEU MD1 . 18877 1 549 . 1 1 166 166 LEU HD12 H 1 0.912 0.02 . 2 . . . . 166 LEU MD1 . 18877 1 550 . 1 1 166 166 LEU HD13 H 1 0.912 0.02 . 2 . . . . 166 LEU MD1 . 18877 1 551 . 1 1 166 166 LEU HD21 H 1 0.943 0.02 . 2 . . . . 166 LEU MD2 . 18877 1 552 . 1 1 166 166 LEU HD22 H 1 0.943 0.02 . 2 . . . . 166 LEU MD2 . 18877 1 553 . 1 1 166 166 LEU HD23 H 1 0.943 0.02 . 2 . . . . 166 LEU MD2 . 18877 1 554 . 1 1 166 166 LEU C C 13 179.500 0.3 . 1 . . . . 166 LEU C . 18877 1 555 . 1 1 166 166 LEU CA C 13 57.46 0.3 . 1 . . . . 166 LEU CA . 18877 1 556 . 1 1 166 166 LEU CB C 13 40.97 0.3 . 1 . . . . 166 LEU CB . 18877 1 557 . 1 1 166 166 LEU CD1 C 13 24.47 0.3 . 1 . . . . 166 LEU CD1 . 18877 1 558 . 1 1 166 166 LEU CD2 C 13 24.78 0.3 . 1 . . . . 166 LEU CD2 . 18877 1 559 . 1 1 166 166 LEU N N 15 119.300 0.3 . 1 . . . . 166 LEU N . 18877 1 560 . 1 1 167 167 LEU H H 1 8.096 0.02 . 1 . . . . 167 LEU H . 18877 1 561 . 1 1 167 167 LEU HA H 1 4.144 0.02 . 1 . . . . 167 LEU HA . 18877 1 562 . 1 1 167 167 LEU HB2 H 1 1.757 0.02 . 2 . . . . 167 LEU HB2 . 18877 1 563 . 1 1 167 167 LEU HB3 H 1 1.858 0.02 . 2 . . . . 167 LEU HB3 . 18877 1 564 . 1 1 167 167 LEU HD11 H 1 0.929 0.02 . 1 . . . . 167 LEU MD1 . 18877 1 565 . 1 1 167 167 LEU HD12 H 1 0.929 0.02 . 1 . . . . 167 LEU MD1 . 18877 1 566 . 1 1 167 167 LEU HD13 H 1 0.929 0.02 . 1 . . . . 167 LEU MD1 . 18877 1 567 . 1 1 167 167 LEU HD21 H 1 0.905 0.02 . 1 . . . . 167 LEU MD2 . 18877 1 568 . 1 1 167 167 LEU HD22 H 1 0.905 0.02 . 1 . . . . 167 LEU MD2 . 18877 1 569 . 1 1 167 167 LEU HD23 H 1 0.905 0.02 . 1 . . . . 167 LEU MD2 . 18877 1 570 . 1 1 167 167 LEU C C 13 179.100 0.3 . 1 . . . . 167 LEU C . 18877 1 571 . 1 1 167 167 LEU CA C 13 57.99 0.3 . 1 . . . . 167 LEU CA . 18877 1 572 . 1 1 167 167 LEU CB C 13 41.08 0.3 . 1 . . . . 167 LEU CB . 18877 1 573 . 1 1 167 167 LEU CD1 C 13 25.00 0.3 . 1 . . . . 167 LEU CD1 . 18877 1 574 . 1 1 167 167 LEU CD2 C 13 24.12 0.3 . 1 . . . . 167 LEU CD2 . 18877 1 575 . 1 1 167 167 LEU N N 15 122.100 0.3 . 1 . . . . 167 LEU N . 18877 1 576 . 1 1 168 168 GLU H H 1 7.936 0.02 . 1 . . . . 168 GLU H . 18877 1 577 . 1 1 168 168 GLU HA H 1 4.074 0.02 . 1 . . . . 168 GLU HA . 18877 1 578 . 1 1 168 168 GLU HG2 H 1 2.259 0.02 . 2 . . . . 168 GLU HG2 . 18877 1 579 . 1 1 168 168 GLU HG3 H 1 2.420 0.02 . 2 . . . . 168 GLU HG3 . 18877 1 580 . 1 1 168 168 GLU C C 13 179.500 0.3 . 1 . . . . 168 GLU C . 18877 1 581 . 1 1 168 168 GLU CA C 13 59.50 0.3 . 1 . . . . 168 GLU CA . 18877 1 582 . 1 1 168 168 GLU CB C 13 29.21 0.3 . 1 . . . . 168 GLU CB . 18877 1 583 . 1 1 168 168 GLU CG C 13 36.55 0.3 . 1 . . . . 168 GLU CG . 18877 1 584 . 1 1 168 168 GLU N N 15 119.300 0.3 . 1 . . . . 168 GLU N . 18877 1 585 . 1 1 169 169 VAL H H 1 8.170 0.02 . 1 . . . . 169 VAL H . 18877 1 586 . 1 1 169 169 VAL HA H 1 3.940 0.02 . 1 . . . . 169 VAL HA . 18877 1 587 . 1 1 169 169 VAL HB H 1 2.231 0.02 . 1 . . . . 169 VAL HB . 18877 1 588 . 1 1 169 169 VAL HG11 H 1 1.036 0.02 . 1 . . . . 169 VAL MG1 . 18877 1 589 . 1 1 169 169 VAL HG12 H 1 1.036 0.02 . 1 . . . . 169 VAL MG1 . 18877 1 590 . 1 1 169 169 VAL HG13 H 1 1.036 0.02 . 1 . . . . 169 VAL MG1 . 18877 1 591 . 1 1 169 169 VAL HG21 H 1 1.110 0.02 . 1 . . . . 169 VAL MG2 . 18877 1 592 . 1 1 169 169 VAL HG22 H 1 1.110 0.02 . 1 . . . . 169 VAL MG2 . 18877 1 593 . 1 1 169 169 VAL HG23 H 1 1.110 0.02 . 1 . . . . 169 VAL MG2 . 18877 1 594 . 1 1 169 169 VAL C C 13 177.500 0.3 . 1 . . . . 169 VAL C . 18877 1 595 . 1 1 169 169 VAL CA C 13 65.76 0.3 . 1 . . . . 169 VAL CA . 18877 1 596 . 1 1 169 169 VAL CB C 13 31.37 0.3 . 1 . . . . 169 VAL CB . 18877 1 597 . 1 1 169 169 VAL CG1 C 13 21.89 0.3 . 1 . . . . 169 VAL CG1 . 18877 1 598 . 1 1 169 169 VAL CG2 C 13 22.88 0.3 . 1 . . . . 169 VAL CG2 . 18877 1 599 . 1 1 169 169 VAL N N 15 118.900 0.3 . 1 . . . . 169 VAL N . 18877 1 600 . 1 1 170 170 SER H H 1 8.314 0.02 . 1 . . . . 170 SER H . 18877 1 601 . 1 1 170 170 SER C C 13 176.000 0.3 . 1 . . . . 170 SER C . 18877 1 602 . 1 1 170 170 SER CA C 13 62.48 0.3 . 1 . . . . 170 SER CA . 18877 1 603 . 1 1 170 170 SER N N 15 116.100 0.3 . 1 . . . . 170 SER N . 18877 1 604 . 1 1 171 171 GLN H H 1 8.143 0.02 . 1 . . . . 171 GLN H . 18877 1 605 . 1 1 171 171 GLN C C 13 177.600 0.3 . 1 . . . . 171 GLN C . 18877 1 606 . 1 1 171 171 GLN CA C 13 58.53 0.3 . 1 . . . . 171 GLN CA . 18877 1 607 . 1 1 171 171 GLN CB C 13 28.19 0.3 . 1 . . . . 171 GLN CB . 18877 1 608 . 1 1 171 171 GLN N N 15 120.300 0.3 . 1 . . . . 171 GLN N . 18877 1 609 . 1 1 172 172 HIS H H 1 7.955 0.02 . 1 . . . . 172 HIS H . 18877 1 610 . 1 1 172 172 HIS C C 13 177.600 0.3 . 1 . . . . 172 HIS C . 18877 1 611 . 1 1 172 172 HIS CA C 13 59.86 0.3 . 1 . . . . 172 HIS CA . 18877 1 612 . 1 1 172 172 HIS CB C 13 30.77 0.3 . 1 . . . . 172 HIS CB . 18877 1 613 . 1 1 172 172 HIS N N 15 120.000 0.3 . 1 . . . . 172 HIS N . 18877 1 614 . 1 1 173 173 VAL H H 1 8.261 0.02 . 1 . . . . 173 VAL H . 18877 1 615 . 1 1 173 173 VAL HA H 1 3.585 0.02 . 1 . . . . 173 VAL HA . 18877 1 616 . 1 1 173 173 VAL HB H 1 2.139 0.02 . 1 . . . . 173 VAL HB . 18877 1 617 . 1 1 173 173 VAL HG11 H 1 0.831 0.02 . 1 . . . . 173 VAL MG1 . 18877 1 618 . 1 1 173 173 VAL HG12 H 1 0.831 0.02 . 1 . . . . 173 VAL MG1 . 18877 1 619 . 1 1 173 173 VAL HG13 H 1 0.831 0.02 . 1 . . . . 173 VAL MG1 . 18877 1 620 . 1 1 173 173 VAL HG21 H 1 1.150 0.02 . 1 . . . . 173 VAL MG2 . 18877 1 621 . 1 1 173 173 VAL HG22 H 1 1.150 0.02 . 1 . . . . 173 VAL MG2 . 18877 1 622 . 1 1 173 173 VAL HG23 H 1 1.150 0.02 . 1 . . . . 173 VAL MG2 . 18877 1 623 . 1 1 173 173 VAL CA C 13 65.62 0.3 . 1 . . . . 173 VAL CA . 18877 1 624 . 1 1 173 173 VAL CB C 13 31.15 0.3 . 1 . . . . 173 VAL CB . 18877 1 625 . 1 1 173 173 VAL CG1 C 13 22.22 0.3 . 1 . . . . 173 VAL CG1 . 18877 1 626 . 1 1 173 173 VAL CG2 C 13 23.31 0.3 . 1 . . . . 173 VAL CG2 . 18877 1 627 . 1 1 173 173 VAL N N 15 118.700 0.3 . 1 . . . . 173 VAL N . 18877 1 628 . 1 1 174 174 LYS H H 1 8.274 0.02 . 1 . . . . 174 LYS H . 18877 1 629 . 1 1 174 174 LYS CA C 13 59.88 0.3 . 1 . . . . 174 LYS CA . 18877 1 630 . 1 1 174 174 LYS CB C 13 32.41 0.3 . 1 . . . . 174 LYS CB . 18877 1 631 . 1 1 174 174 LYS N N 15 120.300 0.3 . 1 . . . . 174 LYS N . 18877 1 632 . 1 1 175 175 MET H H 1 8.275 0.02 . 1 . . . . 175 MET H . 18877 1 633 . 1 1 175 175 MET HA H 1 4.400 0.02 . 1 . . . . 175 MET HA . 18877 1 634 . 1 1 175 175 MET HB2 H 1 2.121 0.02 . 2 . . . . 175 MET HB2 . 18877 1 635 . 1 1 175 175 MET CA C 13 56.93 0.3 . 1 . . . . 175 MET CA . 18877 1 636 . 1 1 175 175 MET CB C 13 30.10 0.3 . 1 . . . . 175 MET CB . 18877 1 637 . 1 1 175 175 MET N N 15 114.600 0.3 . 1 . . . . 175 MET N . 18877 1 638 . 1 1 176 176 ARG H H 1 8.378 0.02 . 1 . . . . 176 ARG H . 18877 1 639 . 1 1 176 176 ARG CA C 13 56.50 0.3 . 1 . . . . 176 ARG CA . 18877 1 640 . 1 1 176 176 ARG CB C 13 30.10 0.3 . 1 . . . . 176 ARG CB . 18877 1 641 . 1 1 176 176 ARG N N 15 116.900 0.3 . 1 . . . . 176 ARG N . 18877 1 642 . 1 1 179 179 GLY H H 1 8.120 0.02 . 1 . . . . 179 GLY H . 18877 1 643 . 1 1 179 179 GLY HA2 H 1 3.272 0.02 . 2 . . . . 179 GLY HA2 . 18877 1 644 . 1 1 179 179 GLY C C 13 172.300 0.3 . 1 . . . . 179 GLY C . 18877 1 645 . 1 1 179 179 GLY CA C 13 45.57 0.3 . 1 . . . . 179 GLY CA . 18877 1 646 . 1 1 179 179 GLY N N 15 105.500 0.3 . 1 . . . . 179 GLY N . 18877 1 647 . 1 1 180 180 PHE H H 1 7.383 0.02 . 1 . . . . 180 PHE H . 18877 1 648 . 1 1 180 180 PHE HA H 1 5.340 0.02 . 1 . . . . 180 PHE HA . 18877 1 649 . 1 1 180 180 PHE HB2 H 1 2.705 0.02 . 2 . . . . 180 PHE HB2 . 18877 1 650 . 1 1 180 180 PHE HB3 H 1 2.951 0.02 . 2 . . . . 180 PHE HB3 . 18877 1 651 . 1 1 180 180 PHE HD1 H 1 7.005 0.02 . 3 . . . . 180 PHE HD1 . 18877 1 652 . 1 1 180 180 PHE HE1 H 1 7.303 0.02 . 3 . . . . 180 PHE HE1 . 18877 1 653 . 1 1 180 180 PHE HZ H 1 6.838 0.02 . 1 . . . . 180 PHE HZ . 18877 1 654 . 1 1 180 180 PHE C C 13 174.100 0.3 . 1 . . . . 180 PHE C . 18877 1 655 . 1 1 180 180 PHE CA C 13 56.94 0.3 . 1 . . . . 180 PHE CA . 18877 1 656 . 1 1 180 180 PHE CB C 13 43.09 0.3 . 1 . . . . 180 PHE CB . 18877 1 657 . 1 1 180 180 PHE N N 15 118.000 0.3 . 1 . . . . 180 PHE N . 18877 1 658 . 1 1 181 181 VAL H H 1 9.270 0.02 . 1 . . . . 181 VAL H . 18877 1 659 . 1 1 181 181 VAL HA H 1 5.238 0.02 . 1 . . . . 181 VAL HA . 18877 1 660 . 1 1 181 181 VAL HB H 1 2.580 0.02 . 1 . . . . 181 VAL HB . 18877 1 661 . 1 1 181 181 VAL HG11 H 1 1.168 0.02 . 1 . . . . 181 VAL MG1 . 18877 1 662 . 1 1 181 181 VAL HG12 H 1 1.168 0.02 . 1 . . . . 181 VAL MG1 . 18877 1 663 . 1 1 181 181 VAL HG13 H 1 1.168 0.02 . 1 . . . . 181 VAL MG1 . 18877 1 664 . 1 1 181 181 VAL HG21 H 1 1.108 0.02 . 1 . . . . 181 VAL MG2 . 18877 1 665 . 1 1 181 181 VAL HG22 H 1 1.108 0.02 . 1 . . . . 181 VAL MG2 . 18877 1 666 . 1 1 181 181 VAL HG23 H 1 1.108 0.02 . 1 . . . . 181 VAL MG2 . 18877 1 667 . 1 1 181 181 VAL C C 13 175.500 0.3 . 1 . . . . 181 VAL C . 18877 1 668 . 1 1 181 181 VAL CA C 13 60.09 0.3 . 1 . . . . 181 VAL CA . 18877 1 669 . 1 1 181 181 VAL CB C 13 34.45 0.3 . 1 . . . . 181 VAL CB . 18877 1 670 . 1 1 181 181 VAL CG1 C 13 23.54 0.3 . 1 . . . . 181 VAL CG1 . 18877 1 671 . 1 1 181 181 VAL CG2 C 13 21.10 0.3 . 1 . . . . 181 VAL CG2 . 18877 1 672 . 1 1 181 181 VAL N N 15 115.400 0.3 . 1 . . . . 181 VAL N . 18877 1 673 . 1 1 182 182 ASP H H 1 8.983 0.02 . 1 . . . . 182 ASP H . 18877 1 674 . 1 1 182 182 ASP HA H 1 5.490 0.02 . 1 . . . . 182 ASP HA . 18877 1 675 . 1 1 182 182 ASP HB2 H 1 2.563 0.02 . 2 . . . . 182 ASP HB2 . 18877 1 676 . 1 1 182 182 ASP HB3 H 1 3.042 0.02 . 2 . . . . 182 ASP HB3 . 18877 1 677 . 1 1 182 182 ASP C C 13 176.300 0.3 . 1 . . . . 182 ASP C . 18877 1 678 . 1 1 182 182 ASP CA C 13 51.97 0.3 . 1 . . . . 182 ASP CA . 18877 1 679 . 1 1 182 182 ASP CB C 13 41.04 0.3 . 1 . . . . 182 ASP CB . 18877 1 680 . 1 1 182 182 ASP N N 15 124.600 0.3 . 1 . . . . 182 ASP N . 18877 1 681 . 1 1 183 183 PHE H H 1 8.432 0.02 . 1 . . . . 183 PHE H . 18877 1 682 . 1 1 183 183 PHE HA H 1 3.390 0.02 . 1 . . . . 183 PHE HA . 18877 1 683 . 1 1 183 183 PHE HB2 H 1 2.183 0.02 . 2 . . . . 183 PHE HB2 . 18877 1 684 . 1 1 183 183 PHE HB3 H 1 2.467 0.02 . 2 . . . . 183 PHE HB3 . 18877 1 685 . 1 1 183 183 PHE HD1 H 1 6.687 0.02 . 3 . . . . 183 PHE HD1 . 18877 1 686 . 1 1 183 183 PHE HE1 H 1 7.091 0.02 . 3 . . . . 183 PHE HE1 . 18877 1 687 . 1 1 183 183 PHE HZ H 1 7.311 0.02 . 1 . . . . 183 PHE HZ . 18877 1 688 . 1 1 183 183 PHE C C 13 176.300 0.3 . 1 . . . . 183 PHE C . 18877 1 689 . 1 1 183 183 PHE CA C 13 62.09 0.3 . 1 . . . . 183 PHE CA . 18877 1 690 . 1 1 183 183 PHE CB C 13 38.28 0.3 . 1 . . . . 183 PHE CB . 18877 1 691 . 1 1 183 183 PHE N N 15 118.500 0.3 . 1 . . . . 183 PHE N . 18877 1 692 . 1 1 184 184 GLU H H 1 7.871 0.02 . 1 . . . . 184 GLU H . 18877 1 693 . 1 1 184 184 GLU HA H 1 3.580 0.02 . 1 . . . . 184 GLU HA . 18877 1 694 . 1 1 184 184 GLU HB2 H 1 2.015 0.02 . 2 . . . . 184 GLU HB2 . 18877 1 695 . 1 1 184 184 GLU HB3 H 1 2.124 0.02 . 2 . . . . 184 GLU HB3 . 18877 1 696 . 1 1 184 184 GLU HG2 H 1 2.298 0.02 . 2 . . . . 184 GLU HG2 . 18877 1 697 . 1 1 184 184 GLU HG3 H 1 2.339 0.02 . 2 . . . . 184 GLU HG3 . 18877 1 698 . 1 1 184 184 GLU C C 13 180.200 0.3 . 1 . . . . 184 GLU C . 18877 1 699 . 1 1 184 184 GLU CA C 13 60.15 0.3 . 1 . . . . 184 GLU CA . 18877 1 700 . 1 1 184 184 GLU CB C 13 28.63 0.3 . 1 . . . . 184 GLU CB . 18877 1 701 . 1 1 184 184 GLU CG C 13 37.14 0.3 . 1 . . . . 184 GLU CG . 18877 1 702 . 1 1 184 184 GLU N N 15 117.700 0.3 . 1 . . . . 184 GLU N . 18877 1 703 . 1 1 185 185 GLU H H 1 8.646 0.02 . 1 . . . . 185 GLU H . 18877 1 704 . 1 1 185 185 GLU HA H 1 4.024 0.02 . 1 . . . . 185 GLU HA . 18877 1 705 . 1 1 185 185 GLU HB2 H 1 2.063 0.02 . 2 . . . . 185 GLU HB2 . 18877 1 706 . 1 1 185 185 GLU HG2 H 1 2.340 0.02 . 2 . . . . 185 GLU HG2 . 18877 1 707 . 1 1 185 185 GLU HG3 H 1 2.730 0.02 . 2 . . . . 185 GLU HG3 . 18877 1 708 . 1 1 185 185 GLU C C 13 178.700 0.3 . 1 . . . . 185 GLU C . 18877 1 709 . 1 1 185 185 GLU CA C 13 58.85 0.3 . 1 . . . . 185 GLU CA . 18877 1 710 . 1 1 185 185 GLU CB C 13 29.50 0.3 . 1 . . . . 185 GLU CB . 18877 1 711 . 1 1 185 185 GLU CG C 13 36.93 0.3 . 1 . . . . 185 GLU CG . 18877 1 712 . 1 1 185 185 GLU N N 15 120.700 0.3 . 1 . . . . 185 GLU N . 18877 1 713 . 1 1 186 186 PHE H H 1 8.765 0.02 . 1 . . . . 186 PHE H . 18877 1 714 . 1 1 186 186 PHE HA H 1 4.080 0.02 . 1 . . . . 186 PHE HA . 18877 1 715 . 1 1 186 186 PHE HB2 H 1 3.256 0.02 . 2 . . . . 186 PHE HB2 . 18877 1 716 . 1 1 186 186 PHE HB3 H 1 3.493 0.02 . 2 . . . . 186 PHE HB3 . 18877 1 717 . 1 1 186 186 PHE HD1 H 1 7.107 0.02 . 3 . . . . 186 PHE HD1 . 18877 1 718 . 1 1 186 186 PHE HE1 H 1 7.323 0.02 . 3 . . . . 186 PHE HE1 . 18877 1 719 . 1 1 186 186 PHE HZ H 1 7.168 0.02 . 1 . . . . 186 PHE HZ . 18877 1 720 . 1 1 186 186 PHE C C 13 176.300 0.3 . 1 . . . . 186 PHE C . 18877 1 721 . 1 1 186 186 PHE CA C 13 61.24 0.3 . 1 . . . . 186 PHE CA . 18877 1 722 . 1 1 186 186 PHE CB C 13 39.05 0.3 . 1 . . . . 186 PHE CB . 18877 1 723 . 1 1 186 186 PHE N N 15 121.700 0.3 . 1 . . . . 186 PHE N . 18877 1 724 . 1 1 187 187 VAL H H 1 8.198 0.02 . 1 . . . . 187 VAL H . 18877 1 725 . 1 1 187 187 VAL HA H 1 2.970 0.02 . 1 . . . . 187 VAL HA . 18877 1 726 . 1 1 187 187 VAL HB H 1 1.780 0.02 . 1 . . . . 187 VAL HB . 18877 1 727 . 1 1 187 187 VAL HG11 H 1 0.650 0.02 . 1 . . . . 187 VAL MG1 . 18877 1 728 . 1 1 187 187 VAL HG12 H 1 0.650 0.02 . 1 . . . . 187 VAL MG1 . 18877 1 729 . 1 1 187 187 VAL HG13 H 1 0.650 0.02 . 1 . . . . 187 VAL MG1 . 18877 1 730 . 1 1 187 187 VAL HG21 H 1 0.308 0.02 . 1 . . . . 187 VAL MG2 . 18877 1 731 . 1 1 187 187 VAL HG22 H 1 0.308 0.02 . 1 . . . . 187 VAL MG2 . 18877 1 732 . 1 1 187 187 VAL HG23 H 1 0.308 0.02 . 1 . . . . 187 VAL MG2 . 18877 1 733 . 1 1 187 187 VAL C C 13 178.700 0.3 . 1 . . . . 187 VAL C . 18877 1 734 . 1 1 187 187 VAL CA C 13 66.97 0.3 . 1 . . . . 187 VAL CA . 18877 1 735 . 1 1 187 187 VAL CB C 13 30.84 0.3 . 1 . . . . 187 VAL CB . 18877 1 736 . 1 1 187 187 VAL CG1 C 13 21.65 0.3 . 1 . . . . 187 VAL CG1 . 18877 1 737 . 1 1 187 187 VAL CG2 C 13 23.90 0.3 . 1 . . . . 187 VAL CG2 . 18877 1 738 . 1 1 187 187 VAL N N 15 118.400 0.3 . 1 . . . . 187 VAL N . 18877 1 739 . 1 1 188 188 GLU H H 1 7.561 0.02 . 1 . . . . 188 GLU H . 18877 1 740 . 1 1 188 188 GLU HA H 1 3.881 0.02 . 1 . . . . 188 GLU HA . 18877 1 741 . 1 1 188 188 GLU HB2 H 1 2.105 0.02 . 2 . . . . 188 GLU HB2 . 18877 1 742 . 1 1 188 188 GLU HG2 H 1 2.220 0.02 . 2 . . . . 188 GLU HG2 . 18877 1 743 . 1 1 188 188 GLU HG3 H 1 2.360 0.02 . 2 . . . . 188 GLU HG3 . 18877 1 744 . 1 1 188 188 GLU C C 13 178.300 0.3 . 1 . . . . 188 GLU C . 18877 1 745 . 1 1 188 188 GLU CA C 13 59.15 0.3 . 1 . . . . 188 GLU CA . 18877 1 746 . 1 1 188 188 GLU CB C 13 28.99 0.3 . 1 . . . . 188 GLU CB . 18877 1 747 . 1 1 188 188 GLU CG C 13 36.03 0.3 . 1 . . . . 188 GLU CG . 18877 1 748 . 1 1 188 188 GLU N N 15 119.700 0.3 . 1 . . . . 188 GLU N . 18877 1 749 . 1 1 189 189 LEU H H 1 7.795 0.02 . 1 . . . . 189 LEU H . 18877 1 750 . 1 1 189 189 LEU HA H 1 4.049 0.02 . 1 . . . . 189 LEU HA . 18877 1 751 . 1 1 189 189 LEU HB2 H 1 1.824 0.02 . 2 . . . . 189 LEU HB2 . 18877 1 752 . 1 1 189 189 LEU HB3 H 1 1.385 0.02 . 2 . . . . 189 LEU HB3 . 18877 1 753 . 1 1 189 189 LEU HD11 H 1 0.853 0.02 . 1 . . . . 189 LEU MD1 . 18877 1 754 . 1 1 189 189 LEU HD12 H 1 0.853 0.02 . 1 . . . . 189 LEU MD1 . 18877 1 755 . 1 1 189 189 LEU HD13 H 1 0.853 0.02 . 1 . . . . 189 LEU MD1 . 18877 1 756 . 1 1 189 189 LEU HD21 H 1 0.810 0.02 . 1 . . . . 189 LEU MD2 . 18877 1 757 . 1 1 189 189 LEU HD22 H 1 0.810 0.02 . 1 . . . . 189 LEU MD2 . 18877 1 758 . 1 1 189 189 LEU HD23 H 1 0.810 0.02 . 1 . . . . 189 LEU MD2 . 18877 1 759 . 1 1 189 189 LEU C C 13 178.300 0.3 . 1 . . . . 189 LEU C . 18877 1 760 . 1 1 189 189 LEU CA C 13 57.10 0.3 . 1 . . . . 189 LEU CA . 18877 1 761 . 1 1 189 189 LEU CB C 13 42.36 0.3 . 1 . . . . 189 LEU CB . 18877 1 762 . 1 1 189 189 LEU CD1 C 13 25.94 0.3 . 1 . . . . 189 LEU CD1 . 18877 1 763 . 1 1 189 189 LEU CD2 C 13 24.28 0.3 . 1 . . . . 189 LEU CD2 . 18877 1 764 . 1 1 189 189 LEU N N 15 117.400 0.3 . 1 . . . . 189 LEU N . 18877 1 765 . 1 1 190 190 ILE H H 1 7.724 0.02 . 1 . . . . 190 ILE H . 18877 1 766 . 1 1 190 190 ILE HA H 1 3.980 0.02 . 1 . . . . 190 ILE HA . 18877 1 767 . 1 1 190 190 ILE HB H 1 1.383 0.02 . 1 . . . . 190 ILE HB . 18877 1 768 . 1 1 190 190 ILE HG12 H 1 0.961 0.02 . 2 . . . . 190 ILE HG12 . 18877 1 769 . 1 1 190 190 ILE HG13 H 1 0.905 0.02 . 2 . . . . 190 ILE HG13 . 18877 1 770 . 1 1 190 190 ILE HG21 H 1 0.495 0.02 . 1 . . . . 190 ILE MG . 18877 1 771 . 1 1 190 190 ILE HG22 H 1 0.495 0.02 . 1 . . . . 190 ILE MG . 18877 1 772 . 1 1 190 190 ILE HG23 H 1 0.495 0.02 . 1 . . . . 190 ILE MG . 18877 1 773 . 1 1 190 190 ILE HD11 H 1 0.427 0.02 . 1 . . . . 190 ILE MD . 18877 1 774 . 1 1 190 190 ILE HD12 H 1 0.427 0.02 . 1 . . . . 190 ILE MD . 18877 1 775 . 1 1 190 190 ILE HD13 H 1 0.427 0.02 . 1 . . . . 190 ILE MD . 18877 1 776 . 1 1 190 190 ILE C C 13 176.500 0.3 . 1 . . . . 190 ILE C . 18877 1 777 . 1 1 190 190 ILE CA C 13 60.82 0.3 . 1 . . . . 190 ILE CA . 18877 1 778 . 1 1 190 190 ILE CB C 13 38.00 0.3 . 1 . . . . 190 ILE CB . 18877 1 779 . 1 1 190 190 ILE CG1 C 13 27.86 0.3 . 1 . . . . 190 ILE CG1 . 18877 1 780 . 1 1 190 190 ILE CG2 C 13 18.22 0.3 . 1 . . . . 190 ILE CG2 . 18877 1 781 . 1 1 190 190 ILE CD1 C 13 13.29 0.3 . 1 . . . . 190 ILE CD1 . 18877 1 782 . 1 1 190 190 ILE N N 15 114.200 0.3 . 1 . . . . 190 ILE N . 18877 1 783 . 1 1 191 191 SER H H 1 8.067 0.02 . 1 . . . . 191 SER H . 18877 1 784 . 1 1 191 191 SER CA C 13 60.81 0.3 . 1 . . . . 191 SER CA . 18877 1 785 . 1 1 191 191 SER N N 15 117.700 0.3 . 1 . . . . 191 SER N . 18877 1 786 . 1 1 196 196 GLU H H 1 8.015 0.02 . 1 . . . . 196 GLU H . 18877 1 787 . 1 1 196 196 GLU C C 13 177.200 0.3 . 1 . . . . 196 GLU C . 18877 1 788 . 1 1 196 196 GLU CA C 13 57.65 0.3 . 1 . . . . 196 GLU CA . 18877 1 789 . 1 1 196 196 GLU CB C 13 29.90 0.3 . 1 . . . . 196 GLU CB . 18877 1 790 . 1 1 196 196 GLU N N 15 120.200 0.3 . 1 . . . . 196 GLU N . 18877 1 791 . 1 1 197 197 GLU H H 1 8.356 0.02 . 1 . . . . 197 GLU H . 18877 1 792 . 1 1 197 197 GLU HA H 1 4.320 0.02 . 1 . . . . 197 GLU HA . 18877 1 793 . 1 1 197 197 GLU C C 13 177.100 0.3 . 1 . . . . 197 GLU C . 18877 1 794 . 1 1 197 197 GLU CA C 13 57.49 0.3 . 1 . . . . 197 GLU CA . 18877 1 795 . 1 1 197 197 GLU CB C 13 29.77 0.3 . 1 . . . . 197 GLU CB . 18877 1 796 . 1 1 197 197 GLU N N 15 120.300 0.3 . 1 . . . . 197 GLU N . 18877 1 797 . 1 1 198 198 THR H H 1 7.933 0.02 . 1 . . . . 198 THR H . 18877 1 798 . 1 1 198 198 THR HA H 1 4.350 0.02 . 1 . . . . 198 THR HA . 18877 1 799 . 1 1 198 198 THR HB H 1 4.250 0.02 . 1 . . . . 198 THR HB . 18877 1 800 . 1 1 198 198 THR HG21 H 1 1.200 0.02 . 1 . . . . 198 THR MG . 18877 1 801 . 1 1 198 198 THR HG22 H 1 1.200 0.02 . 1 . . . . 198 THR MG . 18877 1 802 . 1 1 198 198 THR HG23 H 1 1.200 0.02 . 1 . . . . 198 THR MG . 18877 1 803 . 1 1 198 198 THR C C 13 174.600 0.3 . 1 . . . . 198 THR C . 18877 1 804 . 1 1 198 198 THR CA C 13 62.19 0.3 . 1 . . . . 198 THR CA . 18877 1 805 . 1 1 198 198 THR CB C 13 69.71 0.3 . 1 . . . . 198 THR CB . 18877 1 806 . 1 1 198 198 THR CG2 C 13 21.67 0.3 . 1 . . . . 198 THR CG2 . 18877 1 807 . 1 1 198 198 THR N N 15 112.800 0.3 . 1 . . . . 198 THR N . 18877 1 808 . 1 1 199 199 ALA H H 1 8.098 0.02 . 1 . . . . 199 ALA H . 18877 1 809 . 1 1 199 199 ALA HA H 1 4.237 0.02 . 1 . . . . 199 ALA HA . 18877 1 810 . 1 1 199 199 ALA HB1 H 1 1.385 0.02 . 1 . . . . 199 ALA MB . 18877 1 811 . 1 1 199 199 ALA HB2 H 1 1.385 0.02 . 1 . . . . 199 ALA MB . 18877 1 812 . 1 1 199 199 ALA HB3 H 1 1.385 0.02 . 1 . . . . 199 ALA MB . 18877 1 813 . 1 1 199 199 ALA C C 13 177.500 0.3 . 1 . . . . 199 ALA C . 18877 1 814 . 1 1 199 199 ALA CA C 13 53.30 0.3 . 1 . . . . 199 ALA CA . 18877 1 815 . 1 1 199 199 ALA CB C 13 19.20 0.3 . 1 . . . . 199 ALA CB . 18877 1 816 . 1 1 199 199 ALA N N 15 124.800 0.3 . 1 . . . . 199 ALA N . 18877 1 817 . 1 1 201 201 MET H H 1 8.036 0.02 . 1 . . . . 201 MET H . 18877 1 818 . 1 1 201 201 MET HA H 1 4.418 0.02 . 1 . . . . 201 MET HA . 18877 1 819 . 1 1 201 201 MET HB2 H 1 2.068 0.02 . 2 . . . . 201 MET HB2 . 18877 1 820 . 1 1 201 201 MET HB3 H 1 1.964 0.02 . 2 . . . . 201 MET HB3 . 18877 1 821 . 1 1 201 201 MET C C 13 175.400 0.3 . 1 . . . . 201 MET C . 18877 1 822 . 1 1 201 201 MET CA C 13 55.89 0.3 . 1 . . . . 201 MET CA . 18877 1 823 . 1 1 201 201 MET CB C 13 32.78 0.3 . 1 . . . . 201 MET CB . 18877 1 824 . 1 1 201 201 MET N N 15 120.300 0.3 . 1 . . . . 201 MET N . 18877 1 825 . 1 1 202 202 LEU H H 1 8.222 0.02 . 1 . . . . 202 LEU H . 18877 1 826 . 1 1 202 202 LEU HA H 1 4.450 0.02 . 1 . . . . 202 LEU HA . 18877 1 827 . 1 1 202 202 LEU C C 13 176.800 0.3 . 1 . . . . 202 LEU C . 18877 1 828 . 1 1 202 202 LEU CA C 13 55.45 0.3 . 1 . . . . 202 LEU CA . 18877 1 829 . 1 1 202 202 LEU CB C 13 42.04 0.3 . 1 . . . . 202 LEU CB . 18877 1 830 . 1 1 202 202 LEU N N 15 122.700 0.3 . 1 . . . . 202 LEU N . 18877 1 831 . 1 1 203 203 GLY H H 1 8.431 0.02 . 1 . . . . 203 GLY H . 18877 1 832 . 1 1 203 203 GLY HA2 H 1 3.960 0.02 . 2 . . . . 203 GLY HA2 . 18877 1 833 . 1 1 203 203 GLY HA3 H 1 4.392 0.02 . 2 . . . . 203 GLY HA3 . 18877 1 834 . 1 1 203 203 GLY C C 13 174.300 0.3 . 1 . . . . 203 GLY C . 18877 1 835 . 1 1 203 203 GLY CA C 13 44.62 0.3 . 1 . . . . 203 GLY CA . 18877 1 836 . 1 1 203 203 GLY N N 15 110.200 0.3 . 1 . . . . 203 GLY N . 18877 1 837 . 1 1 204 204 VAL H H 1 8.367 0.02 . 1 . . . . 204 VAL H . 18877 1 838 . 1 1 204 204 VAL HA H 1 3.83 0.02 . 1 . . . . 204 VAL HA . 18877 1 839 . 1 1 204 204 VAL HB H 1 2.168 0.02 . 1 . . . . 204 VAL HB . 18877 1 840 . 1 1 204 204 VAL HG11 H 1 1.071 0.02 . 1 . . . . 204 VAL MG1 . 18877 1 841 . 1 1 204 204 VAL HG12 H 1 1.071 0.02 . 1 . . . . 204 VAL MG1 . 18877 1 842 . 1 1 204 204 VAL HG13 H 1 1.071 0.02 . 1 . . . . 204 VAL MG1 . 18877 1 843 . 1 1 204 204 VAL HG21 H 1 1.132 0.02 . 1 . . . . 204 VAL MG2 . 18877 1 844 . 1 1 204 204 VAL HG22 H 1 1.132 0.02 . 1 . . . . 204 VAL MG2 . 18877 1 845 . 1 1 204 204 VAL HG23 H 1 1.132 0.02 . 1 . . . . 204 VAL MG2 . 18877 1 846 . 1 1 204 204 VAL C C 13 177.400 0.3 . 1 . . . . 204 VAL C . 18877 1 847 . 1 1 204 204 VAL CA C 13 66.40 0.3 . 1 . . . . 204 VAL CA . 18877 1 848 . 1 1 204 204 VAL CB C 13 31.35 0.3 . 1 . . . . 204 VAL CB . 18877 1 849 . 1 1 204 204 VAL CG1 C 13 21.27 0.3 . 1 . . . . 204 VAL CG1 . 18877 1 850 . 1 1 204 204 VAL CG2 C 13 22.40 0.3 . 1 . . . . 204 VAL CG2 . 18877 1 851 . 1 1 204 204 VAL N N 15 119.600 0.3 . 1 . . . . 204 VAL N . 18877 1 852 . 1 1 205 205 ARG H H 1 8.515 0.02 . 1 . . . . 205 ARG H . 18877 1 853 . 1 1 205 205 ARG HA H 1 4.041 0.02 . 1 . . . . 205 ARG HA . 18877 1 854 . 1 1 205 205 ARG HB2 H 1 1.891 0.02 . 2 . . . . 205 ARG HB2 . 18877 1 855 . 1 1 205 205 ARG C C 13 178.600 0.3 . 1 . . . . 205 ARG C . 18877 1 856 . 1 1 205 205 ARG CA C 13 59.84 0.3 . 1 . . . . 205 ARG CA . 18877 1 857 . 1 1 205 205 ARG CB C 13 29.38 0.3 . 1 . . . . 205 ARG CB . 18877 1 858 . 1 1 205 205 ARG N N 15 120.300 0.3 . 1 . . . . 205 ARG N . 18877 1 859 . 1 1 206 206 GLU H H 1 8.146 0.02 . 1 . . . . 206 GLU H . 18877 1 860 . 1 1 206 206 GLU HA H 1 4.049 0.02 . 1 . . . . 206 GLU HA . 18877 1 861 . 1 1 206 206 GLU C C 13 179.400 0.3 . 1 . . . . 206 GLU C . 18877 1 862 . 1 1 206 206 GLU CA C 13 60.34 0.3 . 1 . . . . 206 GLU CA . 18877 1 863 . 1 1 206 206 GLU CB C 13 28.97 0.3 . 1 . . . . 206 GLU CB . 18877 1 864 . 1 1 206 206 GLU N N 15 118.200 0.3 . 1 . . . . 206 GLU N . 18877 1 865 . 1 1 207 207 LEU H H 1 8.477 0.02 . 1 . . . . 207 LEU H . 18877 1 866 . 1 1 207 207 LEU HA H 1 4.339 0.02 . 1 . . . . 207 LEU HA . 18877 1 867 . 1 1 207 207 LEU HB2 H 1 2.262 0.02 . 2 . . . . 207 LEU HB2 . 18877 1 868 . 1 1 207 207 LEU HB3 H 1 1.636 0.02 . 2 . . . . 207 LEU HB3 . 18877 1 869 . 1 1 207 207 LEU HD11 H 1 0.836 0.02 . 2 . . . . 207 LEU MD1 . 18877 1 870 . 1 1 207 207 LEU HD12 H 1 0.836 0.02 . 2 . . . . 207 LEU MD1 . 18877 1 871 . 1 1 207 207 LEU HD13 H 1 0.836 0.02 . 2 . . . . 207 LEU MD1 . 18877 1 872 . 1 1 207 207 LEU C C 13 179.400 0.3 . 1 . . . . 207 LEU C . 18877 1 873 . 1 1 207 207 LEU CA C 13 58.42 0.3 . 1 . . . . 207 LEU CA . 18877 1 874 . 1 1 207 207 LEU CB C 13 41.28 0.3 . 1 . . . . 207 LEU CB . 18877 1 875 . 1 1 207 207 LEU CD1 C 13 26.21 0.3 . 2 . . . . 207 LEU CD1 . 18877 1 876 . 1 1 207 207 LEU N N 15 120.300 0.3 . 1 . . . . 207 LEU N . 18877 1 877 . 1 1 208 208 ARG H H 1 8.652 0.02 . 1 . . . . 208 ARG H . 18877 1 878 . 1 1 208 208 ARG HA H 1 4.045 0.02 . 1 . . . . 208 ARG HA . 18877 1 879 . 1 1 208 208 ARG HB2 H 1 1.981 0.02 . 2 . . . . 208 ARG HB2 . 18877 1 880 . 1 1 208 208 ARG HB3 H 1 2.017 0.02 . 2 . . . . 208 ARG HB3 . 18877 1 881 . 1 1 208 208 ARG C C 13 178.700 0.3 . 1 . . . . 208 ARG C . 18877 1 882 . 1 1 208 208 ARG CA C 13 59.90 0.3 . 1 . . . . 208 ARG CA . 18877 1 883 . 1 1 208 208 ARG CB C 13 29.26 0.3 . 1 . . . . 208 ARG CB . 18877 1 884 . 1 1 208 208 ARG N N 15 120.300 0.3 . 1 . . . . 208 ARG N . 18877 1 885 . 1 1 209 209 ILE H H 1 7.640 0.02 . 1 . . . . 209 ILE H . 18877 1 886 . 1 1 209 209 ILE HA H 1 3.660 0.02 . 1 . . . . 209 ILE HA . 18877 1 887 . 1 1 209 209 ILE HB H 1 2.097 0.02 . 1 . . . . 209 ILE HB . 18877 1 888 . 1 1 209 209 ILE HG12 H 1 1.854 0.02 . 2 . . . . 209 ILE HG12 . 18877 1 889 . 1 1 209 209 ILE HG13 H 1 1.205 0.02 . 2 . . . . 209 ILE HG13 . 18877 1 890 . 1 1 209 209 ILE HG21 H 1 1.013 0.02 . 1 . . . . 209 ILE MG . 18877 1 891 . 1 1 209 209 ILE HG22 H 1 1.013 0.02 . 1 . . . . 209 ILE MG . 18877 1 892 . 1 1 209 209 ILE HG23 H 1 1.013 0.02 . 1 . . . . 209 ILE MG . 18877 1 893 . 1 1 209 209 ILE HD11 H 1 0.928 0.02 . 1 . . . . 209 ILE MD . 18877 1 894 . 1 1 209 209 ILE HD12 H 1 0.928 0.02 . 1 . . . . 209 ILE MD . 18877 1 895 . 1 1 209 209 ILE HD13 H 1 0.928 0.02 . 1 . . . . 209 ILE MD . 18877 1 896 . 1 1 209 209 ILE C C 13 178.400 0.3 . 1 . . . . 209 ILE C . 18877 1 897 . 1 1 209 209 ILE CA C 13 65.10 0.3 . 1 . . . . 209 ILE CA . 18877 1 898 . 1 1 209 209 ILE CB C 13 37.62 0.3 . 1 . . . . 209 ILE CB . 18877 1 899 . 1 1 209 209 ILE CG1 C 13 29.05 0.3 . 1 . . . . 209 ILE CG1 . 18877 1 900 . 1 1 209 209 ILE CG2 C 13 17.49 0.3 . 1 . . . . 209 ILE CG2 . 18877 1 901 . 1 1 209 209 ILE CD1 C 13 13.46 0.3 . 1 . . . . 209 ILE CD1 . 18877 1 902 . 1 1 209 209 ILE N N 15 119.900 0.3 . 1 . . . . 209 ILE N . 18877 1 903 . 1 1 210 210 ALA H H 1 7.986 0.02 . 1 . . . . 210 ALA H . 18877 1 904 . 1 1 210 210 ALA HA H 1 4.042 0.02 . 1 . . . . 210 ALA HA . 18877 1 905 . 1 1 210 210 ALA HB1 H 1 1.660 0.02 . 1 . . . . 210 ALA MB . 18877 1 906 . 1 1 210 210 ALA HB2 H 1 1.660 0.02 . 1 . . . . 210 ALA MB . 18877 1 907 . 1 1 210 210 ALA HB3 H 1 1.660 0.02 . 1 . . . . 210 ALA MB . 18877 1 908 . 1 1 210 210 ALA C C 13 178.600 0.3 . 1 . . . . 210 ALA C . 18877 1 909 . 1 1 210 210 ALA CA C 13 55.19 0.3 . 1 . . . . 210 ALA CA . 18877 1 910 . 1 1 210 210 ALA CB C 13 17.98 0.3 . 1 . . . . 210 ALA CB . 18877 1 911 . 1 1 210 210 ALA N N 15 121.60 0.3 . 1 . . . . 210 ALA N . 18877 1 912 . 1 1 211 211 PHE H H 1 8.699 0.02 . 1 . . . . 211 PHE H . 18877 1 913 . 1 1 211 211 PHE HA H 1 3.334 0.02 . 1 . . . . 211 PHE HA . 18877 1 914 . 1 1 211 211 PHE HB2 H 1 2.983 0.02 . 2 . . . . 211 PHE HB2 . 18877 1 915 . 1 1 211 211 PHE HB3 H 1 3.089 0.02 . 2 . . . . 211 PHE HB3 . 18877 1 916 . 1 1 211 211 PHE HD1 H 1 6.475 0.02 . 3 . . . . 211 PHE HD1 . 18877 1 917 . 1 1 211 211 PHE HE1 H 1 7.015 0.02 . 3 . . . . 211 PHE HE1 . 18877 1 918 . 1 1 211 211 PHE HZ H 1 7.238 0.02 . 1 . . . . 211 PHE HZ . 18877 1 919 . 1 1 211 211 PHE C C 13 177.600 0.3 . 1 . . . . 211 PHE C . 18877 1 920 . 1 1 211 211 PHE CA C 13 62.07 0.3 . 1 . . . . 211 PHE CA . 18877 1 921 . 1 1 211 211 PHE CB C 13 39.56 0.3 . 1 . . . . 211 PHE CB . 18877 1 922 . 1 1 211 211 PHE N N 15 117.800 0.3 . 1 . . . . 211 PHE N . 18877 1 923 . 1 1 212 212 ARG H H 1 7.915 0.02 . 1 . . . . 212 ARG H . 18877 1 924 . 1 1 212 212 ARG HA H 1 3.933 0.02 . 1 . . . . 212 ARG HA . 18877 1 925 . 1 1 212 212 ARG HB2 H 1 1.991 0.02 . 2 . . . . 212 ARG HB2 . 18877 1 926 . 1 1 212 212 ARG C C 13 177.500 0.3 . 1 . . . . 212 ARG C . 18877 1 927 . 1 1 212 212 ARG CA C 13 58.85 0.3 . 1 . . . . 212 ARG CA . 18877 1 928 . 1 1 212 212 ARG CB C 13 29.85 0.3 . 1 . . . . 212 ARG CB . 18877 1 929 . 1 1 212 212 ARG N N 15 116.500 0.3 . 1 . . . . 212 ARG N . 18877 1 930 . 1 1 213 213 GLU H H 1 7.549 0.02 . 1 . . . . 213 GLU H . 18877 1 931 . 1 1 213 213 GLU HA H 1 3.976 0.02 . 1 . . . . 213 GLU HA . 18877 1 932 . 1 1 213 213 GLU C C 13 177.700 0.3 . 1 . . . . 213 GLU C . 18877 1 933 . 1 1 213 213 GLU CA C 13 58.23 0.3 . 1 . . . . 213 GLU CA . 18877 1 934 . 1 1 213 213 GLU CB C 13 28.70 0.3 . 1 . . . . 213 GLU CB . 18877 1 935 . 1 1 213 213 GLU N N 15 117.400 0.3 . 1 . . . . 213 GLU N . 18877 1 936 . 1 1 214 214 PHE H H 1 7.183 0.02 . 1 . . . . 214 PHE H . 18877 1 937 . 1 1 214 214 PHE HA H 1 4.307 0.02 . 1 . . . . 214 PHE HA . 18877 1 938 . 1 1 214 214 PHE C C 13 177.000 0.3 . 1 . . . . 214 PHE C . 18877 1 939 . 1 1 214 214 PHE CA C 13 59.11 0.3 . 1 . . . . 214 PHE CA . 18877 1 940 . 1 1 214 214 PHE CB C 13 40.67 0.3 . 1 . . . . 214 PHE CB . 18877 1 941 . 1 1 214 214 PHE N N 15 114.200 0.3 . 1 . . . . 214 PHE N . 18877 1 942 . 1 1 215 215 ASP H H 1 7.914 0.02 . 1 . . . . 215 ASP H . 18877 1 943 . 1 1 215 215 ASP HA H 1 4.553 0.02 . 1 . . . . 215 ASP HA . 18877 1 944 . 1 1 215 215 ASP HB2 H 1 2.423 0.02 . 2 . . . . 215 ASP HB2 . 18877 1 945 . 1 1 215 215 ASP HB3 H 1 1.547 0.02 . 2 . . . . 215 ASP HB3 . 18877 1 946 . 1 1 215 215 ASP C C 13 177.200 0.3 . 1 . . . . 215 ASP C . 18877 1 947 . 1 1 215 215 ASP CA C 13 52.79 0.3 . 1 . . . . 215 ASP CA . 18877 1 948 . 1 1 215 215 ASP CB C 13 39.08 0.3 . 1 . . . . 215 ASP CB . 18877 1 949 . 1 1 215 215 ASP N N 15 118.400 0.3 . 1 . . . . 215 ASP N . 18877 1 950 . 1 1 216 216 LYS H H 1 7.631 0.02 . 1 . . . . 216 LYS H . 18877 1 951 . 1 1 216 216 LYS HA H 1 3.977 0.02 . 1 . . . . 216 LYS HA . 18877 1 952 . 1 1 216 216 LYS C C 13 177.900 0.3 . 1 . . . . 216 LYS C . 18877 1 953 . 1 1 216 216 LYS CA C 13 58.75 0.3 . 1 . . . . 216 LYS CA . 18877 1 954 . 1 1 216 216 LYS CB C 13 32.29 0.3 . 1 . . . . 216 LYS CB . 18877 1 955 . 1 1 216 216 LYS N N 15 124.800 0.3 . 1 . . . . 216 LYS N . 18877 1 956 . 1 1 217 217 ASP H H 1 7.981 0.02 . 1 . . . . 217 ASP H . 18877 1 957 . 1 1 217 217 ASP HA H 1 4.593 0.02 . 1 . . . . 217 ASP HA . 18877 1 958 . 1 1 217 217 ASP HB2 H 1 3.057 0.02 . 2 . . . . 217 ASP HB2 . 18877 1 959 . 1 1 217 217 ASP HB3 H 1 2.587 0.02 . 2 . . . . 217 ASP HB3 . 18877 1 960 . 1 1 217 217 ASP C C 13 176.100 0.3 . 1 . . . . 217 ASP C . 18877 1 961 . 1 1 217 217 ASP CA C 13 53.07 0.3 . 1 . . . . 217 ASP CA . 18877 1 962 . 1 1 217 217 ASP CB C 13 39.08 0.3 . 1 . . . . 217 ASP CB . 18877 1 963 . 1 1 217 217 ASP N N 15 114.300 0.3 . 1 . . . . 217 ASP N . 18877 1 964 . 1 1 218 218 ARG H H 1 7.755 0.02 . 1 . . . . 218 ARG H . 18877 1 965 . 1 1 218 218 ARG HA H 1 4.013 0.02 . 1 . . . . 218 ARG HA . 18877 1 966 . 1 1 218 218 ARG C C 13 176.000 0.3 . 1 . . . . 218 ARG C . 18877 1 967 . 1 1 218 218 ARG CA C 13 56.96 0.3 . 1 . . . . 218 ARG CA . 18877 1 968 . 1 1 218 218 ARG CB C 13 26.43 0.3 . 1 . . . . 218 ARG CB . 18877 1 969 . 1 1 218 218 ARG N N 15 114.300 0.3 . 1 . . . . 218 ARG N . 18877 1 970 . 1 1 219 219 ASP H H 1 8.486 0.02 . 1 . . . . 219 ASP H . 18877 1 971 . 1 1 219 219 ASP HA H 1 4.655 0.02 . 1 . . . . 219 ASP HA . 18877 1 972 . 1 1 219 219 ASP HB2 H 1 3.040 0.02 . 2 . . . . 219 ASP HB2 . 18877 1 973 . 1 1 219 219 ASP HB3 H 1 2.449 0.02 . 2 . . . . 219 ASP HB3 . 18877 1 974 . 1 1 219 219 ASP C C 13 178.00 0.3 . 1 . . . . 219 ASP C . 18877 1 975 . 1 1 219 219 ASP CA C 13 53.59 0.3 . 1 . . . . 219 ASP CA . 18877 1 976 . 1 1 219 219 ASP CB C 13 40.71 0.3 . 1 . . . . 219 ASP CB . 18877 1 977 . 1 1 219 219 ASP N N 15 119.50 0.3 . 1 . . . . 219 ASP N . 18877 1 978 . 1 1 220 220 GLY H H 1 10.55 0.02 . 1 . . . . 220 GLY H . 18877 1 979 . 1 1 220 220 GLY HA2 H 1 3.704 0.02 . 2 . . . . 220 GLY HA2 . 18877 1 980 . 1 1 220 220 GLY HA3 H 1 4.333 0.02 . 2 . . . . 220 GLY HA3 . 18877 1 981 . 1 1 220 220 GLY C C 13 173.30 0.3 . 1 . . . . 220 GLY C . 18877 1 982 . 1 1 220 220 GLY CA C 13 45.53 0.3 . 1 . . . . 220 GLY CA . 18877 1 983 . 1 1 220 220 GLY N N 15 112.800 0.3 . 1 . . . . 220 GLY N . 18877 1 984 . 1 1 221 221 ARG H H 1 8.080 0.02 . 1 . . . . 221 ARG H . 18877 1 985 . 1 1 221 221 ARG HA H 1 5.103 0.02 . 1 . . . . 221 ARG HA . 18877 1 986 . 1 1 221 221 ARG HB2 H 1 1.839 0.02 . 2 . . . . 221 ARG HB2 . 18877 1 987 . 1 1 221 221 ARG HB3 H 1 1.512 0.02 . 2 . . . . 221 ARG HB3 . 18877 1 988 . 1 1 221 221 ARG C C 13 174.80 0.3 . 1 . . . . 221 ARG C . 18877 1 989 . 1 1 221 221 ARG CA C 13 53.88 0.3 . 1 . . . . 221 ARG CA . 18877 1 990 . 1 1 221 221 ARG CB C 13 32.69 0.3 . 1 . . . . 221 ARG CB . 18877 1 991 . 1 1 221 221 ARG N N 15 118.500 0.3 . 1 . . . . 221 ARG N . 18877 1 992 . 1 1 222 222 ILE H H 1 9.809 0.02 . 1 . . . . 222 ILE H . 18877 1 993 . 1 1 222 222 ILE HA H 1 4.821 0.02 . 1 . . . . 222 ILE HA . 18877 1 994 . 1 1 222 222 ILE HB H 1 1.804 0.02 . 1 . . . . 222 ILE HB . 18877 1 995 . 1 1 222 222 ILE HG12 H 1 1.800 0.02 . 2 . . . . 222 ILE HG12 . 18877 1 996 . 1 1 222 222 ILE HG13 H 1 1.138 0.02 . 2 . . . . 222 ILE HG13 . 18877 1 997 . 1 1 222 222 ILE HG21 H 1 0.839 0.02 . 1 . . . . 222 ILE MG . 18877 1 998 . 1 1 222 222 ILE HG22 H 1 0.839 0.02 . 1 . . . . 222 ILE MG . 18877 1 999 . 1 1 222 222 ILE HG23 H 1 0.839 0.02 . 1 . . . . 222 ILE MG . 18877 1 1000 . 1 1 222 222 ILE HD11 H 1 0.207 0.02 . 1 . . . . 222 ILE MD . 18877 1 1001 . 1 1 222 222 ILE HD12 H 1 0.207 0.02 . 1 . . . . 222 ILE MD . 18877 1 1002 . 1 1 222 222 ILE HD13 H 1 0.207 0.02 . 1 . . . . 222 ILE MD . 18877 1 1003 . 1 1 222 222 ILE C C 13 176.500 0.3 . 1 . . . . 222 ILE C . 18877 1 1004 . 1 1 222 222 ILE CA C 13 60.79 0.3 . 1 . . . . 222 ILE CA . 18877 1 1005 . 1 1 222 222 ILE CB C 13 38.47 0.3 . 1 . . . . 222 ILE CB . 18877 1 1006 . 1 1 222 222 ILE CG2 C 13 17.93 0.3 . 1 . . . . 222 ILE CG2 . 18877 1 1007 . 1 1 222 222 ILE CD1 C 13 14.95 0.3 . 1 . . . . 222 ILE CD1 . 18877 1 1008 . 1 1 222 222 ILE N N 15 126.400 0.3 . 1 . . . . 222 ILE N . 18877 1 1009 . 1 1 223 223 THR H H 1 8.722 0.02 . 1 . . . . 223 THR H . 18877 1 1010 . 1 1 223 223 THR HA H 1 4.726 0.02 . 1 . . . . 223 THR HA . 18877 1 1011 . 1 1 223 223 THR HB H 1 4.790 0.02 . 1 . . . . 223 THR HB . 18877 1 1012 . 1 1 223 223 THR HG21 H 1 1.290 0.02 . 1 . . . . 223 THR MG . 18877 1 1013 . 1 1 223 223 THR HG22 H 1 1.290 0.02 . 1 . . . . 223 THR MG . 18877 1 1014 . 1 1 223 223 THR HG23 H 1 1.290 0.02 . 1 . . . . 223 THR MG . 18877 1 1015 . 1 1 223 223 THR C C 13 176.100 0.3 . 1 . . . . 223 THR C . 18877 1 1016 . 1 1 223 223 THR CA C 13 59.85 0.3 . 1 . . . . 223 THR CA . 18877 1 1017 . 1 1 223 223 THR CB C 13 71.91 0.3 . 1 . . . . 223 THR CB . 18877 1 1018 . 1 1 223 223 THR CG2 C 13 22.26 0.3 . 1 . . . . 223 THR CG2 . 18877 1 1019 . 1 1 223 223 THR N N 15 117.900 0.3 . 1 . . . . 223 THR N . 18877 1 1020 . 1 1 224 224 VAL H H 1 9.124 0.02 . 1 . . . . 224 VAL H . 18877 1 1021 . 1 1 224 224 VAL HA H 1 3.750 0.02 . 1 . . . . 224 VAL HA . 18877 1 1022 . 1 1 224 224 VAL HB H 1 2.168 0.02 . 1 . . . . 224 VAL HB . 18877 1 1023 . 1 1 224 224 VAL HG11 H 1 1.049 0.02 . 1 . . . . 224 VAL MG1 . 18877 1 1024 . 1 1 224 224 VAL HG12 H 1 1.049 0.02 . 1 . . . . 224 VAL MG1 . 18877 1 1025 . 1 1 224 224 VAL HG13 H 1 1.049 0.02 . 1 . . . . 224 VAL MG1 . 18877 1 1026 . 1 1 224 224 VAL HG21 H 1 1.126 0.02 . 1 . . . . 224 VAL MG2 . 18877 1 1027 . 1 1 224 224 VAL HG22 H 1 1.126 0.02 . 1 . . . . 224 VAL MG2 . 18877 1 1028 . 1 1 224 224 VAL HG23 H 1 1.126 0.02 . 1 . . . . 224 VAL MG2 . 18877 1 1029 . 1 1 224 224 VAL C C 13 177.000 0.3 . 1 . . . . 224 VAL C . 18877 1 1030 . 1 1 224 224 VAL CA C 13 66.61 0.3 . 1 . . . . 224 VAL CA . 18877 1 1031 . 1 1 224 224 VAL CB C 13 30.96 0.3 . 1 . . . . 224 VAL CB . 18877 1 1032 . 1 1 224 224 VAL CG1 C 13 20.84 0.3 . 1 . . . . 224 VAL CG1 . 18877 1 1033 . 1 1 224 224 VAL CG2 C 13 23.21 0.3 . 1 . . . . 224 VAL CG2 . 18877 1 1034 . 1 1 224 224 VAL N N 15 120.400 0.3 . 1 . . . . 224 VAL N . 18877 1 1035 . 1 1 225 225 ALA H H 1 7.888 0.02 . 1 . . . . 225 ALA H . 18877 1 1036 . 1 1 225 225 ALA HA H 1 4.130 0.02 . 1 . . . . 225 ALA HA . 18877 1 1037 . 1 1 225 225 ALA HB1 H 1 1.450 0.02 . 1 . . . . 225 ALA MB . 18877 1 1038 . 1 1 225 225 ALA HB2 H 1 1.450 0.02 . 1 . . . . 225 ALA MB . 18877 1 1039 . 1 1 225 225 ALA HB3 H 1 1.450 0.02 . 1 . . . . 225 ALA MB . 18877 1 1040 . 1 1 225 225 ALA C C 13 181.000 0.3 . 1 . . . . 225 ALA C . 18877 1 1041 . 1 1 225 225 ALA CA C 13 55.20 0.3 . 1 . . . . 225 ALA CA . 18877 1 1042 . 1 1 225 225 ALA CB C 13 18.01 0.3 . 1 . . . . 225 ALA CB . 18877 1 1043 . 1 1 225 225 ALA N N 15 121.400 0.3 . 1 . . . . 225 ALA N . 18877 1 1044 . 1 1 226 226 GLU H H 1 7.661 0.02 . 1 . . . . 226 GLU H . 18877 1 1045 . 1 1 226 226 GLU HA H 1 4.122 0.02 . 1 . . . . 226 GLU HA . 18877 1 1046 . 1 1 226 226 GLU C C 13 180.100 0.3 . 1 . . . . 226 GLU C . 18877 1 1047 . 1 1 226 226 GLU CA C 13 59.14 0.3 . 1 . . . . 226 GLU CA . 18877 1 1048 . 1 1 226 226 GLU CB C 13 29.24 0.3 . 1 . . . . 226 GLU CB . 18877 1 1049 . 1 1 226 226 GLU N N 15 118.800 0.3 . 1 . . . . 226 GLU N . 18877 1 1050 . 1 1 227 227 LEU H H 1 8.601 0.02 . 1 . . . . 227 LEU H . 18877 1 1051 . 1 1 227 227 LEU HA H 1 4.068 0.02 . 1 . . . . 227 LEU HA . 18877 1 1052 . 1 1 227 227 LEU HB2 H 1 1.747 0.02 . 2 . . . . 227 LEU HB2 . 18877 1 1053 . 1 1 227 227 LEU HG H 1 1.640 0.02 . 1 . . . . 227 LEU HG . 18877 1 1054 . 1 1 227 227 LEU HD11 H 1 0.782 0.02 . 1 . . . . 227 LEU MD1 . 18877 1 1055 . 1 1 227 227 LEU HD12 H 1 0.782 0.02 . 1 . . . . 227 LEU MD1 . 18877 1 1056 . 1 1 227 227 LEU HD13 H 1 0.782 0.02 . 1 . . . . 227 LEU MD1 . 18877 1 1057 . 1 1 227 227 LEU HD21 H 1 0.699 0.02 . 1 . . . . 227 LEU MD2 . 18877 1 1058 . 1 1 227 227 LEU HD22 H 1 0.699 0.02 . 1 . . . . 227 LEU MD2 . 18877 1 1059 . 1 1 227 227 LEU HD23 H 1 0.699 0.02 . 1 . . . . 227 LEU MD2 . 18877 1 1060 . 1 1 227 227 LEU C C 13 178.100 0.3 . 1 . . . . 227 LEU C . 18877 1 1061 . 1 1 227 227 LEU CA C 13 58.52 0.3 . 1 . . . . 227 LEU CA . 18877 1 1062 . 1 1 227 227 LEU CB C 13 41.64 0.3 . 1 . . . . 227 LEU CB . 18877 1 1063 . 1 1 227 227 LEU CG C 13 26.76 0.3 . 1 . . . . 227 LEU CG . 18877 1 1064 . 1 1 227 227 LEU CD1 C 13 24.27 0.3 . 1 . . . . 227 LEU CD1 . 18877 1 1065 . 1 1 227 227 LEU CD2 C 13 24.87 0.3 . 1 . . . . 227 LEU CD2 . 18877 1 1066 . 1 1 227 227 LEU N N 15 122.400 0.3 . 1 . . . . 227 LEU N . 18877 1 1067 . 1 1 228 228 ARG H H 1 8.456 0.02 . 1 . . . . 228 ARG H . 18877 1 1068 . 1 1 228 228 ARG C C 13 178.700 0.3 . 1 . . . . 228 ARG C . 18877 1 1069 . 1 1 228 228 ARG CA C 13 59.57 0.3 . 1 . . . . 228 ARG CA . 18877 1 1070 . 1 1 228 228 ARG CB C 13 29.98 0.3 . 1 . . . . 228 ARG CB . 18877 1 1071 . 1 1 228 228 ARG N N 15 116.900 0.3 . 1 . . . . 228 ARG N . 18877 1 1072 . 1 1 229 229 GLN H H 1 7.649 0.02 . 1 . . . . 229 GLN H . 18877 1 1073 . 1 1 229 229 GLN HA H 1 4.190 0.02 . 1 . . . . 229 GLN HA . 18877 1 1074 . 1 1 229 229 GLN HB2 H 1 2.200 0.02 . 2 . . . . 229 GLN HB2 . 18877 1 1075 . 1 1 229 229 GLN HG2 H 1 2.560 0.02 . 2 . . . . 229 GLN HG2 . 18877 1 1076 . 1 1 229 229 GLN C C 13 177.300 0.3 . 1 . . . . 229 GLN C . 18877 1 1077 . 1 1 229 229 GLN CA C 13 57.83 0.3 . 1 . . . . 229 GLN CA . 18877 1 1078 . 1 1 229 229 GLN CB C 13 28.80 0.3 . 1 . . . . 229 GLN CB . 18877 1 1079 . 1 1 229 229 GLN CG C 13 34.07 0.3 . 1 . . . . 229 GLN CG . 18877 1 1080 . 1 1 229 229 GLN N N 15 115.200 0.3 . 1 . . . . 229 GLN N . 18877 1 1081 . 1 1 230 230 ALA H H 1 7.765 0.02 . 1 . . . . 230 ALA H . 18877 1 1082 . 1 1 230 230 ALA HA H 1 4.341 0.02 . 1 . . . . 230 ALA HA . 18877 1 1083 . 1 1 230 230 ALA HB1 H 1 1.266 0.02 . 1 . . . . 230 ALA MB . 18877 1 1084 . 1 1 230 230 ALA HB2 H 1 1.266 0.02 . 1 . . . . 230 ALA MB . 18877 1 1085 . 1 1 230 230 ALA HB3 H 1 1.266 0.02 . 1 . . . . 230 ALA MB . 18877 1 1086 . 1 1 230 230 ALA C C 13 178.100 0.3 . 1 . . . . 230 ALA C . 18877 1 1087 . 1 1 230 230 ALA CA C 13 53.20 0.3 . 1 . . . . 230 ALA CA . 18877 1 1088 . 1 1 230 230 ALA CB C 13 19.96 0.3 . 1 . . . . 230 ALA CB . 18877 1 1089 . 1 1 230 230 ALA N N 15 119.500 0.3 . 1 . . . . 230 ALA N . 18877 1 1090 . 1 1 231 231 ALA H H 1 8.072 0.02 . 1 . . . . 231 ALA H . 18877 1 1091 . 1 1 231 231 ALA HA H 1 4.162 0.02 . 1 . . . . 231 ALA HA . 18877 1 1092 . 1 1 231 231 ALA HB1 H 1 1.637 0.02 . 1 . . . . 231 ALA MB . 18877 1 1093 . 1 1 231 231 ALA HB2 H 1 1.637 0.02 . 1 . . . . 231 ALA MB . 18877 1 1094 . 1 1 231 231 ALA HB3 H 1 1.637 0.02 . 1 . . . . 231 ALA MB . 18877 1 1095 . 1 1 231 231 ALA C C 13 175.300 0.3 . 1 . . . . 231 ALA C . 18877 1 1096 . 1 1 231 231 ALA CA C 13 57.16 0.3 . 1 . . . . 231 ALA CA . 18877 1 1097 . 1 1 231 231 ALA CB C 13 16.42 0.3 . 1 . . . . 231 ALA CB . 18877 1 1098 . 1 1 231 231 ALA N N 15 119.100 0.3 . 1 . . . . 231 ALA N . 18877 1 1099 . 1 1 232 232 PRO HA H 1 4.163 0.02 . 1 . . . . 232 PRO HA . 18877 1 1100 . 1 1 232 232 PRO C C 13 178.70 0.3 . 1 . . . . 232 PRO C . 18877 1 1101 . 1 1 232 232 PRO CA C 13 66.35 0.3 . 1 . . . . 232 PRO CA . 18877 1 1102 . 1 1 232 232 PRO CB C 13 30.36 0.3 . 1 . . . . 232 PRO CB . 18877 1 1103 . 1 1 233 233 ALA H H 1 7.355 0.02 . 1 . . . . 233 ALA H . 18877 1 1104 . 1 1 233 233 ALA HA H 1 4.220 0.02 . 1 . . . . 233 ALA HA . 18877 1 1105 . 1 1 233 233 ALA HB1 H 1 1.480 0.02 . 1 . . . . 233 ALA MB . 18877 1 1106 . 1 1 233 233 ALA HB2 H 1 1.480 0.02 . 1 . . . . 233 ALA MB . 18877 1 1107 . 1 1 233 233 ALA HB3 H 1 1.480 0.02 . 1 . . . . 233 ALA MB . 18877 1 1108 . 1 1 233 233 ALA C C 13 178.900 0.3 . 1 . . . . 233 ALA C . 18877 1 1109 . 1 1 233 233 ALA CA C 13 53.99 0.3 . 1 . . . . 233 ALA CA . 18877 1 1110 . 1 1 233 233 ALA CB C 13 18.67 0.3 . 1 . . . . 233 ALA CB . 18877 1 1111 . 1 1 233 233 ALA N N 15 118.000 0.3 . 1 . . . . 233 ALA N . 18877 1 1112 . 1 1 234 234 LEU H H 1 7.870 0.02 . 1 . . . . 234 LEU H . 18877 1 1113 . 1 1 234 234 LEU HA H 1 4.283 0.02 . 1 . . . . 234 LEU HA . 18877 1 1114 . 1 1 234 234 LEU HB2 H 1 1.578 0.02 . 2 . . . . 234 LEU HB2 . 18877 1 1115 . 1 1 234 234 LEU HB3 H 1 1.446 0.02 . 2 . . . . 234 LEU HB3 . 18877 1 1116 . 1 1 234 234 LEU HG H 1 1.610 0.02 . 1 . . . . 234 LEU HG . 18877 1 1117 . 1 1 234 234 LEU HD11 H 1 0.537 0.02 . 1 . . . . 234 LEU MD1 . 18877 1 1118 . 1 1 234 234 LEU HD12 H 1 0.537 0.02 . 1 . . . . 234 LEU MD1 . 18877 1 1119 . 1 1 234 234 LEU HD13 H 1 0.537 0.02 . 1 . . . . 234 LEU MD1 . 18877 1 1120 . 1 1 234 234 LEU HD21 H 1 0.753 0.02 . 1 . . . . 234 LEU MD2 . 18877 1 1121 . 1 1 234 234 LEU HD22 H 1 0.753 0.02 . 1 . . . . 234 LEU MD2 . 18877 1 1122 . 1 1 234 234 LEU HD23 H 1 0.753 0.02 . 1 . . . . 234 LEU MD2 . 18877 1 1123 . 1 1 234 234 LEU C C 13 177.600 0.3 . 1 . . . . 234 LEU C . 18877 1 1124 . 1 1 234 234 LEU CA C 13 56.40 0.3 . 1 . . . . 234 LEU CA . 18877 1 1125 . 1 1 234 234 LEU CB C 13 42.72 0.3 . 1 . . . . 234 LEU CB . 18877 1 1126 . 1 1 234 234 LEU CG C 13 27.05 0.3 . 1 . . . . 234 LEU CG . 18877 1 1127 . 1 1 234 234 LEU CD1 C 13 25.38 0.3 . 1 . . . . 234 LEU CD1 . 18877 1 1128 . 1 1 234 234 LEU CD2 C 13 23.37 0.3 . 1 . . . . 234 LEU CD2 . 18877 1 1129 . 1 1 234 234 LEU N N 15 116.900 0.3 . 1 . . . . 234 LEU N . 18877 1 1130 . 1 1 235 235 LEU H H 1 8.518 0.02 . 1 . . . . 235 LEU H . 18877 1 1131 . 1 1 235 235 LEU HA H 1 4.430 0.02 . 1 . . . . 235 LEU HA . 18877 1 1132 . 1 1 235 235 LEU HB2 H 1 1.678 0.02 . 2 . . . . 235 LEU HB2 . 18877 1 1133 . 1 1 235 235 LEU HB3 H 1 1.926 0.02 . 2 . . . . 235 LEU HB3 . 18877 1 1134 . 1 1 235 235 LEU HD21 H 1 0.896 0.02 . 2 . . . . 235 LEU MD2 . 18877 1 1135 . 1 1 235 235 LEU HD22 H 1 0.896 0.02 . 2 . . . . 235 LEU MD2 . 18877 1 1136 . 1 1 235 235 LEU HD23 H 1 0.896 0.02 . 2 . . . . 235 LEU MD2 . 18877 1 1137 . 1 1 235 235 LEU C C 13 178.000 0.3 . 1 . . . . 235 LEU C . 18877 1 1138 . 1 1 235 235 LEU CA C 13 55.12 0.3 . 1 . . . . 235 LEU CA . 18877 1 1139 . 1 1 235 235 LEU CB C 13 42.29 0.3 . 1 . . . . 235 LEU CB . 18877 1 1140 . 1 1 235 235 LEU CD2 C 13 23.61 0.3 . 2 . . . . 235 LEU CD2 . 18877 1 1141 . 1 1 235 235 LEU N N 15 115.800 0.3 . 1 . . . . 235 LEU N . 18877 1 1142 . 1 1 236 236 GLY H H 1 7.728 0.02 . 1 . . . . 236 GLY H . 18877 1 1143 . 1 1 236 236 GLY HA2 H 1 3.802 0.02 . 2 . . . . 236 GLY HA2 . 18877 1 1144 . 1 1 236 236 GLY HA3 H 1 4.128 0.02 . 2 . . . . 236 GLY HA3 . 18877 1 1145 . 1 1 236 236 GLY C C 13 173.100 0.3 . 1 . . . . 236 GLY C . 18877 1 1146 . 1 1 236 236 GLY CA C 13 45.84 0.3 . 1 . . . . 236 GLY CA . 18877 1 1147 . 1 1 236 236 GLY N N 15 106.800 0.3 . 1 . . . . 236 GLY N . 18877 1 1148 . 1 1 237 237 GLU H H 1 7.317 0.02 . 1 . . . . 237 GLU H . 18877 1 1149 . 1 1 237 237 GLU HA H 1 4.830 0.02 . 1 . . . . 237 GLU HA . 18877 1 1150 . 1 1 237 237 GLU HB2 H 1 2.120 0.02 . 2 . . . . 237 GLU HB2 . 18877 1 1151 . 1 1 237 237 GLU HB3 H 1 1.812 0.02 . 2 . . . . 237 GLU HB3 . 18877 1 1152 . 1 1 237 237 GLU C C 13 172.600 0.3 . 1 . . . . 237 GLU C . 18877 1 1153 . 1 1 237 237 GLU CA C 13 53.35 0.3 . 1 . . . . 237 GLU CA . 18877 1 1154 . 1 1 237 237 GLU CB C 13 31.02 0.3 . 1 . . . . 237 GLU CB . 18877 1 1155 . 1 1 237 237 GLU N N 15 117.700 0.3 . 1 . . . . 237 GLU N . 18877 1 1156 . 1 1 238 238 PRO HA H 1 4.420 0.02 . 1 . . . . 238 PRO HA . 18877 1 1157 . 1 1 238 238 PRO HB2 H 1 1.950 0.02 . 2 . . . . 238 PRO HB2 . 18877 1 1158 . 1 1 238 238 PRO HB3 H 1 2.252 0.02 . 2 . . . . 238 PRO HB3 . 18877 1 1159 . 1 1 238 238 PRO C C 13 176.100 0.3 . 1 . . . . 238 PRO C . 18877 1 1160 . 1 1 238 238 PRO CA C 13 62.69 0.3 . 1 . . . . 238 PRO CA . 18877 1 1161 . 1 1 238 238 PRO CB C 13 31.38 0.3 . 1 . . . . 238 PRO CB . 18877 1 1162 . 1 1 239 239 LEU H H 1 8.072 0.02 . 1 . . . . 239 LEU H . 18877 1 1163 . 1 1 239 239 LEU HA H 1 4.523 0.02 . 1 . . . . 239 LEU HA . 18877 1 1164 . 1 1 239 239 LEU HB2 H 1 1.463 0.02 . 2 . . . . 239 LEU HB2 . 18877 1 1165 . 1 1 239 239 LEU HD11 H 1 0.835 0.02 . 2 . . . . 239 LEU MD1 . 18877 1 1166 . 1 1 239 239 LEU HD12 H 1 0.835 0.02 . 2 . . . . 239 LEU MD1 . 18877 1 1167 . 1 1 239 239 LEU HD13 H 1 0.835 0.02 . 2 . . . . 239 LEU MD1 . 18877 1 1168 . 1 1 239 239 LEU C C 13 176.100 0.3 . 1 . . . . 239 LEU C . 18877 1 1169 . 1 1 239 239 LEU CA C 13 54.53 0.3 . 1 . . . . 239 LEU CA . 18877 1 1170 . 1 1 239 239 LEU CB C 13 43.49 0.3 . 1 . . . . 239 LEU CB . 18877 1 1171 . 1 1 239 239 LEU CD1 C 13 25.84 0.3 . 2 . . . . 239 LEU CD1 . 18877 1 1172 . 1 1 239 239 LEU N N 15 122.300 0.3 . 1 . . . . 239 LEU N . 18877 1 1173 . 1 1 240 240 GLU H H 1 8.750 0.02 . 1 . . . . 240 GLU H . 18877 1 1174 . 1 1 240 240 GLU HA H 1 4.513 0.02 . 1 . . . . 240 GLU HA . 18877 1 1175 . 1 1 240 240 GLU HB2 H 1 2.178 0.02 . 2 . . . . 240 GLU HB2 . 18877 1 1176 . 1 1 240 240 GLU HB3 H 1 1.942 0.02 . 2 . . . . 240 GLU HB3 . 18877 1 1177 . 1 1 240 240 GLU C C 13 177.300 0.3 . 1 . . . . 240 GLU C . 18877 1 1178 . 1 1 240 240 GLU CA C 13 55.69 0.3 . 1 . . . . 240 GLU CA . 18877 1 1179 . 1 1 240 240 GLU CB C 13 31.59 0.3 . 1 . . . . 240 GLU CB . 18877 1 1180 . 1 1 240 240 GLU N N 15 121.700 0.3 . 1 . . . . 240 GLU N . 18877 1 1181 . 1 1 241 241 GLY H H 1 8.825 0.02 . 1 . . . . 241 GLY H . 18877 1 1182 . 1 1 241 241 GLY HA2 H 1 3.857 0.02 . 2 . . . . 241 GLY HA2 . 18877 1 1183 . 1 1 241 241 GLY C C 13 176.100 0.3 . 1 . . . . 241 GLY C . 18877 1 1184 . 1 1 241 241 GLY CA C 13 47.01 0.3 . 1 . . . . 241 GLY CA . 18877 1 1185 . 1 1 241 241 GLY N N 15 109.800 0.3 . 1 . . . . 241 GLY N . 18877 1 1186 . 1 1 242 242 THR HA H 1 4.273 0.02 . 1 . . . . 242 THR HA . 18877 1 1187 . 1 1 242 242 THR HB H 1 4.340 0.02 . 1 . . . . 242 THR HB . 18877 1 1188 . 1 1 242 242 THR HG21 H 1 1.313 0.02 . 1 . . . . 242 THR MG . 18877 1 1189 . 1 1 242 242 THR HG22 H 1 1.313 0.02 . 1 . . . . 242 THR MG . 18877 1 1190 . 1 1 242 242 THR HG23 H 1 1.313 0.02 . 1 . . . . 242 THR MG . 18877 1 1191 . 1 1 242 242 THR C C 13 176.300 0.3 . 1 . . . . 242 THR C . 18877 1 1192 . 1 1 242 242 THR CA C 13 64.45 0.3 . 1 . . . . 242 THR CA . 18877 1 1193 . 1 1 242 242 THR CB C 13 68.66 0.3 . 1 . . . . 242 THR CB . 18877 1 1194 . 1 1 242 242 THR CG2 C 13 22.09 0.3 . 1 . . . . 242 THR CG2 . 18877 1 1195 . 1 1 243 243 GLU H H 1 8.179 0.02 . 1 . . . . 243 GLU H . 18877 1 1196 . 1 1 243 243 GLU HA H 1 4.168 0.02 . 1 . . . . 243 GLU HA . 18877 1 1197 . 1 1 243 243 GLU HB2 H 1 2.076 0.02 . 2 . . . . 243 GLU HB2 . 18877 1 1198 . 1 1 243 243 GLU HB3 H 1 2.179 0.02 . 2 . . . . 243 GLU HB3 . 18877 1 1199 . 1 1 243 243 GLU C C 13 178.900 0.3 . 1 . . . . 243 GLU C . 18877 1 1200 . 1 1 243 243 GLU CA C 13 59.52 0.3 . 1 . . . . 243 GLU CA . 18877 1 1201 . 1 1 243 243 GLU CB C 13 29.25 0.3 . 1 . . . . 243 GLU CB . 18877 1 1202 . 1 1 243 243 GLU N N 15 121.700 0.3 . 1 . . . . 243 GLU N . 18877 1 1203 . 1 1 244 244 LEU H H 1 7.624 0.02 . 1 . . . . 244 LEU H . 18877 1 1204 . 1 1 244 244 LEU HA H 1 3.994 0.02 . 1 . . . . 244 LEU HA . 18877 1 1205 . 1 1 244 244 LEU HB2 H 1 1.633 0.02 . 2 . . . . 244 LEU HB2 . 18877 1 1206 . 1 1 244 244 LEU HB3 H 1 1.595 0.02 . 2 . . . . 244 LEU HB3 . 18877 1 1207 . 1 1 244 244 LEU HG H 1 1.630 0.02 . 1 . . . . 244 LEU HG . 18877 1 1208 . 1 1 244 244 LEU HD11 H 1 0.910 0.02 . 2 . . . . 244 LEU MD1 . 18877 1 1209 . 1 1 244 244 LEU HD12 H 1 0.910 0.02 . 2 . . . . 244 LEU MD1 . 18877 1 1210 . 1 1 244 244 LEU HD13 H 1 0.910 0.02 . 2 . . . . 244 LEU MD1 . 18877 1 1211 . 1 1 244 244 LEU HD21 H 1 0.867 0.02 . 2 . . . . 244 LEU MD2 . 18877 1 1212 . 1 1 244 244 LEU HD22 H 1 0.867 0.02 . 2 . . . . 244 LEU MD2 . 18877 1 1213 . 1 1 244 244 LEU HD23 H 1 0.867 0.02 . 2 . . . . 244 LEU MD2 . 18877 1 1214 . 1 1 244 244 LEU C C 13 177.800 0.3 . 1 . . . . 244 LEU C . 18877 1 1215 . 1 1 244 244 LEU CA C 13 57.66 0.3 . 1 . . . . 244 LEU CA . 18877 1 1216 . 1 1 244 244 LEU CB C 13 40.55 0.3 . 1 . . . . 244 LEU CB . 18877 1 1217 . 1 1 244 244 LEU CG C 13 27.45 0.3 . 1 . . . . 244 LEU CG . 18877 1 1218 . 1 1 244 244 LEU CD1 C 13 24.96 0.3 . 2 . . . . 244 LEU CD1 . 18877 1 1219 . 1 1 244 244 LEU N N 15 120.100 0.3 . 1 . . . . 244 LEU N . 18877 1 1220 . 1 1 245 245 ASP H H 1 7.793 0.02 . 1 . . . . 245 ASP H . 18877 1 1221 . 1 1 245 245 ASP HA H 1 4.282 0.02 . 1 . . . . 245 ASP HA . 18877 1 1222 . 1 1 245 245 ASP HB2 H 1 2.655 0.02 . 2 . . . . 245 ASP HB2 . 18877 1 1223 . 1 1 245 245 ASP HB3 H 1 2.771 0.02 . 2 . . . . 245 ASP HB3 . 18877 1 1224 . 1 1 245 245 ASP C C 13 179.100 0.3 . 1 . . . . 245 ASP C . 18877 1 1225 . 1 1 245 245 ASP CA C 13 57.66 0.3 . 1 . . . . 245 ASP CA . 18877 1 1226 . 1 1 245 245 ASP CB C 13 40.45 0.3 . 1 . . . . 245 ASP CB . 18877 1 1227 . 1 1 245 245 ASP N N 15 118.500 0.3 . 1 . . . . 245 ASP N . 18877 1 1228 . 1 1 246 246 GLU H H 1 8.016 0.02 . 1 . . . . 246 GLU H . 18877 1 1229 . 1 1 246 246 GLU HA H 1 4.039 0.02 . 1 . . . . 246 GLU HA . 18877 1 1230 . 1 1 246 246 GLU C C 13 178.300 0.3 . 1 . . . . 246 GLU C . 18877 1 1231 . 1 1 246 246 GLU CA C 13 59.06 0.3 . 1 . . . . 246 GLU CA . 18877 1 1232 . 1 1 246 246 GLU CB C 13 29.15 0.3 . 1 . . . . 246 GLU CB . 18877 1 1233 . 1 1 246 246 GLU N N 15 119.000 0.3 . 1 . . . . 246 GLU N . 18877 1 1234 . 1 1 247 247 MET H H 1 7.841 0.02 . 1 . . . . 247 MET H . 18877 1 1235 . 1 1 247 247 MET HA H 1 3.976 0.02 . 1 . . . . 247 MET HA . 18877 1 1236 . 1 1 247 247 MET C C 13 177.800 0.3 . 1 . . . . 247 MET C . 18877 1 1237 . 1 1 247 247 MET CA C 13 59.28 0.3 . 1 . . . . 247 MET CA . 18877 1 1238 . 1 1 247 247 MET CB C 13 32.15 0.3 . 1 . . . . 247 MET CB . 18877 1 1239 . 1 1 247 247 MET N N 15 120.300 0.3 . 1 . . . . 247 MET N . 18877 1 1240 . 1 1 248 248 LEU H H 1 7.961 0.02 . 1 . . . . 248 LEU H . 18877 1 1241 . 1 1 248 248 LEU HA H 1 3.809 0.02 . 1 . . . . 248 LEU HA . 18877 1 1242 . 1 1 248 248 LEU HB2 H 1 1.562 0.02 . 2 . . . . 248 LEU HB2 . 18877 1 1243 . 1 1 248 248 LEU HB3 H 1 1.922 0.02 . 2 . . . . 248 LEU HB3 . 18877 1 1244 . 1 1 248 248 LEU HG H 1 1.638 0.02 . 1 . . . . 248 LEU HG . 18877 1 1245 . 1 1 248 248 LEU HD21 H 1 0.824 0.02 . 2 . . . . 248 LEU MD2 . 18877 1 1246 . 1 1 248 248 LEU HD22 H 1 0.824 0.02 . 2 . . . . 248 LEU MD2 . 18877 1 1247 . 1 1 248 248 LEU HD23 H 1 0.824 0.02 . 2 . . . . 248 LEU MD2 . 18877 1 1248 . 1 1 248 248 LEU C C 13 178.200 0.3 . 1 . . . . 248 LEU C . 18877 1 1249 . 1 1 248 248 LEU CA C 13 58.92 0.3 . 1 . . . . 248 LEU CA . 18877 1 1250 . 1 1 248 248 LEU CB C 13 40.48 0.3 . 1 . . . . 248 LEU CB . 18877 1 1251 . 1 1 248 248 LEU CG C 13 27.45 0.3 . 1 . . . . 248 LEU CG . 18877 1 1252 . 1 1 248 248 LEU CD2 C 13 24.69 0.3 . 2 . . . . 248 LEU CD2 . 18877 1 1253 . 1 1 248 248 LEU N N 15 118.900 0.3 . 1 . . . . 248 LEU N . 18877 1 1254 . 1 1 249 249 ARG H H 1 7.872 0.02 . 1 . . . . 249 ARG H . 18877 1 1255 . 1 1 249 249 ARG HA H 1 3.995 0.02 . 1 . . . . 249 ARG HA . 18877 1 1256 . 1 1 249 249 ARG HB2 H 1 1.940 0.02 . 2 . . . . 249 ARG HB2 . 18877 1 1257 . 1 1 249 249 ARG C C 13 178.800 0.3 . 1 . . . . 249 ARG C . 18877 1 1258 . 1 1 249 249 ARG CA C 13 59.28 0.3 . 1 . . . . 249 ARG CA . 18877 1 1259 . 1 1 249 249 ARG CB C 13 29.65 0.3 . 1 . . . . 249 ARG CB . 18877 1 1260 . 1 1 249 249 ARG N N 15 116.600 0.3 . 1 . . . . 249 ARG N . 18877 1 1261 . 1 1 250 250 GLU H H 1 7.850 0.02 . 1 . . . . 250 GLU H . 18877 1 1262 . 1 1 250 250 GLU HA H 1 4.065 0.02 . 1 . . . . 250 GLU HA . 18877 1 1263 . 1 1 250 250 GLU C C 13 177.600 0.3 . 1 . . . . 250 GLU C . 18877 1 1264 . 1 1 250 250 GLU CA C 13 58.77 0.3 . 1 . . . . 250 GLU CA . 18877 1 1265 . 1 1 250 250 GLU CB C 13 29.68 0.3 . 1 . . . . 250 GLU CB . 18877 1 1266 . 1 1 250 250 GLU N N 15 116.900 0.3 . 1 . . . . 250 GLU N . 18877 1 1267 . 1 1 251 251 MET H H 1 7.596 0.02 . 1 . . . . 251 MET H . 18877 1 1268 . 1 1 251 251 MET HA H 1 4.379 0.02 . 1 . . . . 251 MET HA . 18877 1 1269 . 1 1 251 251 MET HB2 H 1 2.008 0.02 . 2 . . . . 251 MET HB2 . 18877 1 1270 . 1 1 251 251 MET C C 13 176.200 0.3 . 1 . . . . 251 MET C . 18877 1 1271 . 1 1 251 251 MET CA C 13 56.94 0.3 . 1 . . . . 251 MET CA . 18877 1 1272 . 1 1 251 251 MET CB C 13 34.50 0.3 . 1 . . . . 251 MET CB . 18877 1 1273 . 1 1 251 251 MET N N 15 114.100 0.3 . 1 . . . . 251 MET N . 18877 1 1274 . 1 1 252 252 ASP H H 1 7.955 0.02 . 1 . . . . 252 ASP H . 18877 1 1275 . 1 1 252 252 ASP HA H 1 4.615 0.02 . 1 . . . . 252 ASP HA . 18877 1 1276 . 1 1 252 252 ASP HB2 H 1 2.938 0.02 . 2 . . . . 252 ASP HB2 . 18877 1 1277 . 1 1 252 252 ASP HB3 H 1 2.297 0.02 . 2 . . . . 252 ASP HB3 . 18877 1 1278 . 1 1 252 252 ASP C C 13 177.00 0.3 . 1 . . . . 252 ASP C . 18877 1 1279 . 1 1 252 252 ASP CA C 13 52.84 0.3 . 1 . . . . 252 ASP CA . 18877 1 1280 . 1 1 252 252 ASP CB C 13 39.05 0.3 . 1 . . . . 252 ASP CB . 18877 1 1281 . 1 1 252 252 ASP N N 15 117.100 0.3 . 1 . . . . 252 ASP N . 18877 1 1282 . 1 1 253 253 LEU H H 1 7.693 0.02 . 1 . . . . 253 LEU H . 18877 1 1283 . 1 1 253 253 LEU HA H 1 4.070 0.02 . 1 . . . . 253 LEU HA . 18877 1 1284 . 1 1 253 253 LEU HB2 H 1 1.601 0.02 . 2 . . . . 253 LEU HB2 . 18877 1 1285 . 1 1 253 253 LEU HB3 H 1 1.863 0.02 . 2 . . . . 253 LEU HB3 . 18877 1 1286 . 1 1 253 253 LEU HG H 1 1.815 0.02 . 1 . . . . 253 LEU HG . 18877 1 1287 . 1 1 253 253 LEU HD11 H 1 1.049 0.02 . 1 . . . . 253 LEU MD1 . 18877 1 1288 . 1 1 253 253 LEU HD12 H 1 1.049 0.02 . 1 . . . . 253 LEU MD1 . 18877 1 1289 . 1 1 253 253 LEU HD13 H 1 1.049 0.02 . 1 . . . . 253 LEU MD1 . 18877 1 1290 . 1 1 253 253 LEU HD21 H 1 0.928 0.02 . 1 . . . . 253 LEU MD2 . 18877 1 1291 . 1 1 253 253 LEU HD22 H 1 0.928 0.02 . 1 . . . . 253 LEU MD2 . 18877 1 1292 . 1 1 253 253 LEU HD23 H 1 0.928 0.02 . 1 . . . . 253 LEU MD2 . 18877 1 1293 . 1 1 253 253 LEU C C 13 178.900 0.3 . 1 . . . . 253 LEU C . 18877 1 1294 . 1 1 253 253 LEU CA C 13 57.62 0.3 . 1 . . . . 253 LEU CA . 18877 1 1295 . 1 1 253 253 LEU CB C 13 41.36 0.3 . 1 . . . . 253 LEU CB . 18877 1 1296 . 1 1 253 253 LEU CG C 13 27.00 0.3 . 1 . . . . 253 LEU CG . 18877 1 1297 . 1 1 253 253 LEU CD1 C 13 25.71 0.3 . 1 . . . . 253 LEU CD1 . 18877 1 1298 . 1 1 253 253 LEU CD2 C 13 22.34 0.3 . 1 . . . . 253 LEU CD2 . 18877 1 1299 . 1 1 253 253 LEU N N 15 126.100 0.3 . 1 . . . . 253 LEU N . 18877 1 1300 . 1 1 254 254 ASN H H 1 8.365 0.02 . 1 . . . . 254 ASN H . 18877 1 1301 . 1 1 254 254 ASN HA H 1 4.791 0.02 . 1 . . . . 254 ASN HA . 18877 1 1302 . 1 1 254 254 ASN HB2 H 1 2.982 0.02 . 2 . . . . 254 ASN HB2 . 18877 1 1303 . 1 1 254 254 ASN HB3 H 1 3.344 0.02 . 2 . . . . 254 ASN HB3 . 18877 1 1304 . 1 1 254 254 ASN C C 13 176.900 0.3 . 1 . . . . 254 ASN C . 18877 1 1305 . 1 1 254 254 ASN CA C 13 51.94 0.3 . 1 . . . . 254 ASN CA . 18877 1 1306 . 1 1 254 254 ASN CB C 13 37.31 0.3 . 1 . . . . 254 ASN CB . 18877 1 1307 . 1 1 254 254 ASN N N 15 112.800 0.3 . 1 . . . . 254 ASN N . 18877 1 1308 . 1 1 255 255 GLY H H 1 7.668 0.02 . 1 . . . . 255 GLY H . 18877 1 1309 . 1 1 255 255 GLY HA2 H 1 3.900 0.02 . 2 . . . . 255 GLY HA2 . 18877 1 1310 . 1 1 255 255 GLY C C 13 175.00 0.3 . 1 . . . . 255 GLY C . 18877 1 1311 . 1 1 255 255 GLY CA C 13 47.56 0.3 . 1 . . . . 255 GLY CA . 18877 1 1312 . 1 1 255 255 GLY N N 15 109.500 0.3 . 1 . . . . 255 GLY N . 18877 1 1313 . 1 1 256 256 ASP H H 1 8.165 0.02 . 1 . . . . 256 ASP H . 18877 1 1314 . 1 1 256 256 ASP HA H 1 4.549 0.02 . 1 . . . . 256 ASP HA . 18877 1 1315 . 1 1 256 256 ASP HB2 H 1 2.472 0.02 . 2 . . . . 256 ASP HB2 . 18877 1 1316 . 1 1 256 256 ASP HB3 H 1 3.158 0.02 . 2 . . . . 256 ASP HB3 . 18877 1 1317 . 1 1 256 256 ASP C C 13 177.600 0.3 . 1 . . . . 256 ASP C . 18877 1 1318 . 1 1 256 256 ASP CA C 13 53.77 0.3 . 1 . . . . 256 ASP CA . 18877 1 1319 . 1 1 256 256 ASP CB C 13 40.27 0.3 . 1 . . . . 256 ASP CB . 18877 1 1320 . 1 1 256 256 ASP N N 15 119.900 0.3 . 1 . . . . 256 ASP N . 18877 1 1321 . 1 1 257 257 GLY H H 1 10.62 0.02 . 1 . . . . 257 GLY H . 18877 1 1322 . 1 1 257 257 GLY HA2 H 1 3.48 0.02 . 2 . . . . 257 GLY HA2 . 18877 1 1323 . 1 1 257 257 GLY HA3 H 1 4.30 0.02 . 2 . . . . 257 GLY HA3 . 18877 1 1324 . 1 1 257 257 GLY C C 13 173.30 0.3 . 1 . . . . 257 GLY C . 18877 1 1325 . 1 1 257 257 GLY CA C 13 45.64 0.3 . 1 . . . . 257 GLY CA . 18877 1 1326 . 1 1 257 257 GLY N N 15 113.800 0.3 . 1 . . . . 257 GLY N . 18877 1 1327 . 1 1 258 258 THR H H 1 7.948 0.02 . 1 . . . . 258 THR H . 18877 1 1328 . 1 1 258 258 THR HA H 1 4.968 0.02 . 1 . . . . 258 THR HA . 18877 1 1329 . 1 1 258 258 THR HB H 1 3.795 0.02 . 1 . . . . 258 THR HB . 18877 1 1330 . 1 1 258 258 THR HG21 H 1 1.079 0.02 . 1 . . . . 258 THR MG . 18877 1 1331 . 1 1 258 258 THR HG22 H 1 1.079 0.02 . 1 . . . . 258 THR MG . 18877 1 1332 . 1 1 258 258 THR HG23 H 1 1.079 0.02 . 1 . . . . 258 THR MG . 18877 1 1333 . 1 1 258 258 THR C C 13 173.300 0.3 . 1 . . . . 258 THR C . 18877 1 1334 . 1 1 258 258 THR CA C 13 59.33 0.3 . 1 . . . . 258 THR CA . 18877 1 1335 . 1 1 258 258 THR CB C 13 73.06 0.3 . 1 . . . . 258 THR CB . 18877 1 1336 . 1 1 258 258 THR CG2 C 13 22.65 0.3 . 1 . . . . 258 THR CG2 . 18877 1 1337 . 1 1 258 258 THR N N 15 108.400 0.3 . 1 . . . . 258 THR N . 18877 1 1338 . 1 1 259 259 ILE H H 1 9.241 0.02 . 1 . . . . 259 ILE H . 18877 1 1339 . 1 1 259 259 ILE HA H 1 5.167 0.02 . 1 . . . . 259 ILE HA . 18877 1 1340 . 1 1 259 259 ILE HB H 1 2.015 0.02 . 1 . . . . 259 ILE HB . 18877 1 1341 . 1 1 259 259 ILE HG12 H 1 1.471 0.02 . 2 . . . . 259 ILE HG12 . 18877 1 1342 . 1 1 259 259 ILE HG13 H 1 0.973 0.02 . 2 . . . . 259 ILE HG13 . 18877 1 1343 . 1 1 259 259 ILE HG21 H 1 1.289 0.02 . 1 . . . . 259 ILE MG . 18877 1 1344 . 1 1 259 259 ILE HG22 H 1 1.289 0.02 . 1 . . . . 259 ILE MG . 18877 1 1345 . 1 1 259 259 ILE HG23 H 1 1.289 0.02 . 1 . . . . 259 ILE MG . 18877 1 1346 . 1 1 259 259 ILE HD11 H 1 0.838 0.02 . 1 . . . . 259 ILE MD . 18877 1 1347 . 1 1 259 259 ILE HD12 H 1 0.838 0.02 . 1 . . . . 259 ILE MD . 18877 1 1348 . 1 1 259 259 ILE HD13 H 1 0.838 0.02 . 1 . . . . 259 ILE MD . 18877 1 1349 . 1 1 259 259 ILE C C 13 176.000 0.3 . 1 . . . . 259 ILE C . 18877 1 1350 . 1 1 259 259 ILE CA C 13 59.52 0.3 . 1 . . . . 259 ILE CA . 18877 1 1351 . 1 1 259 259 ILE CB C 13 39.04 0.3 . 1 . . . . 259 ILE CB . 18877 1 1352 . 1 1 259 259 ILE CG2 C 13 18.42 0.3 . 1 . . . . 259 ILE CG2 . 18877 1 1353 . 1 1 259 259 ILE CD1 C 13 14.17 0.3 . 1 . . . . 259 ILE CD1 . 18877 1 1354 . 1 1 259 259 ILE N N 15 125.100 0.3 . 1 . . . . 259 ILE N . 18877 1 1355 . 1 1 260 260 ASP H H 1 9.043 0.02 . 1 . . . . 260 ASP H . 18877 1 1356 . 1 1 260 260 ASP HA H 1 5.450 0.02 . 1 . . . . 260 ASP HA . 18877 1 1357 . 1 1 260 260 ASP HB2 H 1 2.637 0.02 . 2 . . . . 260 ASP HB2 . 18877 1 1358 . 1 1 260 260 ASP HB3 H 1 3.325 0.02 . 2 . . . . 260 ASP HB3 . 18877 1 1359 . 1 1 260 260 ASP C C 13 176.000 0.3 . 1 . . . . 260 ASP C . 18877 1 1360 . 1 1 260 260 ASP CA C 13 52.46 0.3 . 1 . . . . 260 ASP CA . 18877 1 1361 . 1 1 260 260 ASP CB C 13 41.84 0.3 . 1 . . . . 260 ASP CB . 18877 1 1362 . 1 1 260 260 ASP N N 15 128.100 0.3 . 1 . . . . 260 ASP N . 18877 1 1363 . 1 1 261 261 PHE H H 1 8.695 0.02 . 1 . . . . 261 PHE H . 18877 1 1364 . 1 1 261 261 PHE HA H 1 3.610 0.02 . 1 . . . . 261 PHE HA . 18877 1 1365 . 1 1 261 261 PHE HB2 H 1 2.193 0.02 . 2 . . . . 261 PHE HB2 . 18877 1 1366 . 1 1 261 261 PHE HB3 H 1 2.580 0.02 . 2 . . . . 261 PHE HB3 . 18877 1 1367 . 1 1 261 261 PHE HD1 H 1 6.607 0.02 . 3 . . . . 261 PHE HD1 . 18877 1 1368 . 1 1 261 261 PHE HE1 H 1 7.085 0.02 . 3 . . . . 261 PHE HE1 . 18877 1 1369 . 1 1 261 261 PHE HZ H 1 7.241 0.02 . 1 . . . . 261 PHE HZ . 18877 1 1370 . 1 1 261 261 PHE C C 13 176.200 0.3 . 1 . . . . 261 PHE C . 18877 1 1371 . 1 1 261 261 PHE CA C 13 61.87 0.3 . 1 . . . . 261 PHE CA . 18877 1 1372 . 1 1 261 261 PHE CB C 13 38.51 0.3 . 1 . . . . 261 PHE CB . 18877 1 1373 . 1 1 261 261 PHE N N 15 118.600 0.3 . 1 . . . . 261 PHE N . 18877 1 1374 . 1 1 262 262 ASP H H 1 7.873 0.02 . 1 . . . . 262 ASP H . 18877 1 1375 . 1 1 262 262 ASP HA H 1 4.162 0.02 . 1 . . . . 262 ASP HA . 18877 1 1376 . 1 1 262 262 ASP HB2 H 1 2.595 0.02 . 2 . . . . 262 ASP HB2 . 18877 1 1377 . 1 1 262 262 ASP HB3 H 1 2.788 0.02 . 2 . . . . 262 ASP HB3 . 18877 1 1378 . 1 1 262 262 ASP C C 13 179.600 0.3 . 1 . . . . 262 ASP C . 18877 1 1379 . 1 1 262 262 ASP CA C 13 57.74 0.3 . 1 . . . . 262 ASP CA . 18877 1 1380 . 1 1 262 262 ASP CB C 13 40.02 0.3 . 1 . . . . 262 ASP CB . 18877 1 1381 . 1 1 262 262 ASP N N 15 117.700 0.3 . 1 . . . . 262 ASP N . 18877 1 1382 . 1 1 263 263 GLU H H 1 8.558 0.02 . 1 . . . . 263 GLU H . 18877 1 1383 . 1 1 263 263 GLU HA H 1 3.902 0.02 . 1 . . . . 263 GLU HA . 18877 1 1384 . 1 1 263 263 GLU C C 13 178.600 0.3 . 1 . . . . 263 GLU C . 18877 1 1385 . 1 1 263 263 GLU CA C 13 59.25 0.3 . 1 . . . . 263 GLU CA . 18877 1 1386 . 1 1 263 263 GLU CB C 13 29.06 0.3 . 1 . . . . 263 GLU CB . 18877 1 1387 . 1 1 263 263 GLU N N 15 121.200 0.3 . 1 . . . . 263 GLU N . 18877 1 1388 . 1 1 264 264 PHE H H 1 8.489 0.02 . 1 . . . . 264 PHE H . 18877 1 1389 . 1 1 264 264 PHE HA H 1 4.021 0.02 . 1 . . . . 264 PHE HA . 18877 1 1390 . 1 1 264 264 PHE HD1 H 1 7.044 0.02 . 3 . . . . 264 PHE HD1 . 18877 1 1391 . 1 1 264 264 PHE HE1 H 1 7.259 0.02 . 3 . . . . 264 PHE HE1 . 18877 1 1392 . 1 1 264 264 PHE HZ H 1 7.225 0.02 . 1 . . . . 264 PHE HZ . 18877 1 1393 . 1 1 264 264 PHE C C 13 176.40 0.3 . 1 . . . . 264 PHE C . 18877 1 1394 . 1 1 264 264 PHE CA C 13 61.74 0.3 . 1 . . . . 264 PHE CA . 18877 1 1395 . 1 1 264 264 PHE CB C 13 40.35 0.3 . 1 . . . . 264 PHE CB . 18877 1 1396 . 1 1 264 264 PHE N N 15 122.10 0.3 . 1 . . . . 264 PHE N . 18877 1 1397 . 1 1 265 265 VAL H H 1 8.271 0.02 . 1 . . . . 265 VAL H . 18877 1 1398 . 1 1 265 265 VAL HA H 1 3.310 0.02 . 1 . . . . 265 VAL HA . 18877 1 1399 . 1 1 265 265 VAL HB H 1 1.833 0.02 . 1 . . . . 265 VAL HB . 18877 1 1400 . 1 1 265 265 VAL HG11 H 1 0.709 0.02 . 1 . . . . 265 VAL MG1 . 18877 1 1401 . 1 1 265 265 VAL HG12 H 1 0.709 0.02 . 1 . . . . 265 VAL MG1 . 18877 1 1402 . 1 1 265 265 VAL HG13 H 1 0.709 0.02 . 1 . . . . 265 VAL MG1 . 18877 1 1403 . 1 1 265 265 VAL HG21 H 1 0.430 0.02 . 1 . . . . 265 VAL MG2 . 18877 1 1404 . 1 1 265 265 VAL HG22 H 1 0.430 0.02 . 1 . . . . 265 VAL MG2 . 18877 1 1405 . 1 1 265 265 VAL HG23 H 1 0.430 0.02 . 1 . . . . 265 VAL MG2 . 18877 1 1406 . 1 1 265 265 VAL C C 13 179.200 0.3 . 1 . . . . 265 VAL C . 18877 1 1407 . 1 1 265 265 VAL CA C 13 66.14 0.3 . 1 . . . . 265 VAL CA . 18877 1 1408 . 1 1 265 265 VAL CB C 13 31.18 0.3 . 1 . . . . 265 VAL CB . 18877 1 1409 . 1 1 265 265 VAL CG1 C 13 21.54 0.3 . 1 . . . . 265 VAL CG1 . 18877 1 1410 . 1 1 265 265 VAL CG2 C 13 23.39 0.3 . 1 . . . . 265 VAL CG2 . 18877 1 1411 . 1 1 265 265 VAL N N 15 116.000 0.3 . 1 . . . . 265 VAL N . 18877 1 1412 . 1 1 266 266 MET H H 1 7.937 0.02 . 1 . . . . 266 MET H . 18877 1 1413 . 1 1 266 266 MET HA H 1 4.07 0.02 . 1 . . . . 266 MET HA . 18877 1 1414 . 1 1 266 266 MET C C 13 178.600 0.3 . 1 . . . . 266 MET C . 18877 1 1415 . 1 1 266 266 MET CA C 13 59.50 0.3 . 1 . . . . 266 MET CA . 18877 1 1416 . 1 1 266 266 MET CB C 13 29.21 0.3 . 1 . . . . 266 MET CB . 18877 1 1417 . 1 1 266 266 MET N N 15 119.40 0.3 . 1 . . . . 266 MET N . 18877 1 1418 . 1 1 267 267 MET H H 1 7.767 0.02 . 1 . . . . 267 MET H . 18877 1 1419 . 1 1 267 267 MET HA H 1 4.41 0.02 . 1 . . . . 267 MET HA . 18877 1 1420 . 1 1 267 267 MET C C 13 177.500 0.3 . 1 . . . . 267 MET C . 18877 1 1421 . 1 1 267 267 MET CA C 13 57.09 0.3 . 1 . . . . 267 MET CA . 18877 1 1422 . 1 1 267 267 MET CB C 13 31.51 0.3 . 1 . . . . 267 MET CB . 18877 1 1423 . 1 1 267 267 MET N N 15 116.900 0.3 . 1 . . . . 267 MET N . 18877 1 1424 . 1 1 268 268 LEU H H 1 7.425 0.02 . 1 . . . . 268 LEU H . 18877 1 1425 . 1 1 268 268 LEU HA H 1 4.240 0.02 . 1 . . . . 268 LEU HA . 18877 1 1426 . 1 1 268 268 LEU HB2 H 1 1.410 0.02 . 2 . . . . 268 LEU HB2 . 18877 1 1427 . 1 1 268 268 LEU HG H 1 1.320 0.02 . 1 . . . . 268 LEU HG . 18877 1 1428 . 1 1 268 268 LEU HD11 H 1 0.203 0.02 . 1 . . . . 268 LEU MD1 . 18877 1 1429 . 1 1 268 268 LEU HD12 H 1 0.203 0.02 . 1 . . . . 268 LEU MD1 . 18877 1 1430 . 1 1 268 268 LEU HD13 H 1 0.203 0.02 . 1 . . . . 268 LEU MD1 . 18877 1 1431 . 1 1 268 268 LEU HD21 H 1 0.550 0.02 . 1 . . . . 268 LEU MD2 . 18877 1 1432 . 1 1 268 268 LEU HD22 H 1 0.550 0.02 . 1 . . . . 268 LEU MD2 . 18877 1 1433 . 1 1 268 268 LEU HD23 H 1 0.550 0.02 . 1 . . . . 268 LEU MD2 . 18877 1 1434 . 1 1 268 268 LEU C C 13 177.400 0.3 . 1 . . . . 268 LEU C . 18877 1 1435 . 1 1 268 268 LEU CA C 13 55.72 0.3 . 1 . . . . 268 LEU CA . 18877 1 1436 . 1 1 268 268 LEU CB C 13 41.55 0.3 . 1 . . . . 268 LEU CB . 18877 1 1437 . 1 1 268 268 LEU CG C 13 27.86 0.3 . 1 . . . . 268 LEU CG . 18877 1 1438 . 1 1 268 268 LEU CD1 C 13 25.31 0.3 . 1 . . . . 268 LEU CD1 . 18877 1 1439 . 1 1 268 268 LEU CD2 C 13 23.59 0.3 . 1 . . . . 268 LEU CD2 . 18877 1 1440 . 1 1 268 268 LEU N N 15 117.600 0.3 . 1 . . . . 268 LEU N . 18877 1 1441 . 1 1 269 269 SER H H 1 7.773 0.02 . 1 . . . . 269 SER H . 18877 1 1442 . 1 1 269 269 SER HA H 1 4.523 0.02 . 1 . . . . 269 SER HA . 18877 1 1443 . 1 1 269 269 SER C C 13 177.400 0.3 . 1 . . . . 269 SER C . 18877 1 1444 . 1 1 269 269 SER CA C 13 59.08 0.3 . 1 . . . . 269 SER CA . 18877 1 1445 . 1 1 269 269 SER CB C 13 63.87 0.3 . 1 . . . . 269 SER CB . 18877 1 1446 . 1 1 269 269 SER N N 15 113.800 0.3 . 1 . . . . 269 SER N . 18877 1 1447 . 1 1 270 270 THR H H 1 7.896 0.02 . 1 . . . . 270 THR H . 18877 1 1448 . 1 1 270 270 THR HA H 1 4.410 0.02 . 1 . . . . 270 THR HA . 18877 1 1449 . 1 1 270 270 THR HB H 1 4.330 0.02 . 1 . . . . 270 THR HB . 18877 1 1450 . 1 1 270 270 THR HG21 H 1 1.239 0.02 . 1 . . . . 270 THR MG . 18877 1 1451 . 1 1 270 270 THR HG22 H 1 1.239 0.02 . 1 . . . . 270 THR MG . 18877 1 1452 . 1 1 270 270 THR HG23 H 1 1.239 0.02 . 1 . . . . 270 THR MG . 18877 1 1453 . 1 1 270 270 THR C C 13 174.20 0.3 . 1 . . . . 270 THR C . 18877 1 1454 . 1 1 270 270 THR CA C 13 62.12 0.3 . 1 . . . . 270 THR CA . 18877 1 1455 . 1 1 270 270 THR CB C 13 69.99 0.3 . 1 . . . . 270 THR CB . 18877 1 1456 . 1 1 270 270 THR CG2 C 13 21.52 0.3 . 1 . . . . 270 THR CG2 . 18877 1 1457 . 1 1 270 270 THR N N 15 114.70 0.3 . 1 . . . . 270 THR N . 18877 1 1458 . 1 1 271 271 GLY H H 1 7.945 0.02 . 1 . . . . 271 GLY H . 18877 1 1459 . 1 1 271 271 GLY HA2 H 1 3.793 0.02 . 2 . . . . 271 GLY HA2 . 18877 1 1460 . 1 1 271 271 GLY C C 13 178.90 0.3 . 1 . . . . 271 GLY C . 18877 1 1461 . 1 1 271 271 GLY CA C 13 46.43 0.3 . 1 . . . . 271 GLY CA . 18877 1 1462 . 1 1 271 271 GLY N N 15 117.00 0.3 . 1 . . . . 271 GLY N . 18877 1 stop_ save_