data_5853 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5853 _Entry.Title ; Sequential 1H, 15N and 13C NMR assignment of human Calbindin D28k ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2003-06-30 _Entry.Accession_date 2003-06-30 _Entry.Last_release_date 2004-02-11 _Entry.Original_release_date 2004-02-11 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _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 Magnus Helgstrand . . . 5853 2 Christophe Vanbelle . . . 5853 3 Eva Thulin . . . 5853 4 Sara Linse . . . 5853 5 Mikael Akke . . . 5853 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 5853 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 706 5853 '15N chemical shifts' 240 5853 '1H chemical shifts' 240 5853 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 . . 2004-02-11 2003-06-30 original author . 5853 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5853 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 14752267 _Citation.Full_citation . _Citation.Title 'Letter to the Editor: Sequential 1H, 15N and 13C NMR assignment of human Calbindin D28k' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 28 _Citation.Journal_issue 3 _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 305 _Citation.Page_last 306 _Citation.Year 2004 _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 Magnus Helgstrand . . . 5853 1 2 Christophe Vanbelle . . . 5853 1 3 Eva Thulin . . . 5853 1 4 Sara Linse . . . 5853 1 5 Mikael Akke . . . 5853 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_Calbindin_D28k _Assembly.Sf_category assembly _Assembly.Sf_framecode system_Calbindin_D28k _Assembly.Entry_ID 5853 _Assembly.ID 1 _Assembly.Name 'Calbindin D28k' _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 'not present' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 5853 1 stop_ 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 'Calbindin D28k' 1 $Calbindin_D28k . . . native . . . . . 5853 1 2 'CALCIUM (II) ION, 1' 2 $CA . . . native . . . . . 5853 1 3 'CALCIUM (II) ION, 2' 2 $CA . . . native . . . . . 5853 1 4 'CALCIUM (II) ION, 3' 2 $CA . . . native . . . . . 5853 1 5 'CALCIUM (II) ION, 4' 2 $CA . . . native . . . . . 5853 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 coordination single . 1 . 1 ASP 24 24 OD1 . 2 . 2 CA 1 1 CA . . . . . . . . . . 5853 1 2 coordination single . 1 . 1 ASP 26 26 OD1 . 2 . 2 CA 1 1 CA . . . . . . . . . . 5853 1 3 coordination single . 1 . 1 SER 28 28 OG . 2 . 2 CA 1 1 CA . . . . . . . . . . 5853 1 4 coordination single . 1 . 1 TYR 30 30 OH . 2 . 2 CA 1 1 CA . . . . . . . . . . 5853 1 5 coordination single . 1 . 1 GLU 35 35 OE1 . 2 . 2 CA 1 1 CA . . . . . . . . . . 5853 1 6 coordination single . 1 . 1 ASP 111 111 OD1 . 3 . 2 CA 1 1 CA . . . . . . . . . . 5853 1 7 coordination single . 1 . 1 ASP 113 113 OD1 . 3 . 2 CA 1 1 CA . . . . . . . . . . 5853 1 8 coordination single . 1 . 1 SER 115 115 OG . 3 . 2 CA 1 1 CA . . . . . . . . . . 5853 1 9 coordination single . 1 . 1 PHE 117 117 . . 3 . 2 CA 1 1 CA . . . . . . . . . . 5853 1 10 coordination single . 1 . 1 GLU 122 122 OE1 . 3 . 2 CA 1 1 CA . . . . . . . . . . 5853 1 11 coordination single . 1 . 1 ASP 155 155 OD1 . 4 . 2 CA 1 1 CA . . . . . . . . . . 5853 1 12 coordination single . 1 . 1 ASN 157 157 OD1 . 4 . 2 CA 1 1 CA . . . . . . . . . . 5853 1 13 coordination single . 1 . 1 ASP 159 159 OD1 . 4 . 2 CA 1 1 CA . . . . . . . . . . 5853 1 14 coordination single . 1 . 1 LYS 161 161 NZ . 4 . 2 CA 1 1 CA . . . . . . . . . . 5853 1 15 coordination single . 1 . 1 GLU 166 166 OE1 . 4 . 2 CA 1 1 CA . . . . . . . . . . 5853 1 16 coordination single . 1 . 1 ASP 199 199 OD1 . 5 . 2 CA 1 1 CA . . . . . . . . . . 5853 1 17 coordination single . 1 . 1 ASP 201 201 OD1 . 5 . 2 CA 1 1 CA . . . . . . . . . . 5853 1 18 coordination single . 1 . 1 ASP 203 203 OD1 . 5 . 2 CA 1 1 CA . . . . . . . . . . 5853 1 19 coordination single . 1 . 1 TYR 205 205 OH . 5 . 2 CA 1 1 CA . . . . . . . . . . 5853 1 20 coordination single . 1 . 1 GLU 210 210 OE1 . 5 . 2 CA 1 1 CA . . . . . . . . . . 5853 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'Calbindin D28k' abbreviation 5853 1 'Calbindin D28k' system 5853 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Calbindin_D28k _Entity.Sf_category entity _Entity.Sf_framecode Calbindin_D28k _Entity.Entry_ID 5853 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Calbindin D28k' _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 ; MEASHLQSSLITASQFFEIW LHFDADGSGYLEGKELQNLI QELQQARKKAGLELSPEMKT FVDQYGQRDDGKIGIVELAH VLPTEENFLLLFRSQQLKSS EEFMKTWRKYDTDHSGFIET EELKNFLKDLLEKANKTVDD TKLAEYTDLMLKLFDSNNDG KLELTEMARLLPVQENFLLK FEGIKMSGKEFNKAFELYDQ DGDGYIDENELDALLKDLSE KNKQDLDINNITTYKKNIMA LSDGGKLYRTDLALILSAGD N ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 261 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _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 '6 EF-hands' _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2014-05-12 loop_ _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 no REF XP_004679800 . "PREDICTED: calbindin [Condylura cristata]" . . . . . 100.00 261 96.93 97.70 0.00e+00 . . . . 5853 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Calbindin D28k' abbreviation 5853 1 'Calbindin D28k' common 5853 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 . 5853 1 2 . GLU . 5853 1 3 . ALA . 5853 1 4 . SER . 5853 1 5 . HIS . 5853 1 6 . LEU . 5853 1 7 . GLN . 5853 1 8 . SER . 5853 1 9 . SER . 5853 1 10 . LEU . 5853 1 11 . ILE . 5853 1 12 . THR . 5853 1 13 . ALA . 5853 1 14 . SER . 5853 1 15 . GLN . 5853 1 16 . PHE . 5853 1 17 . PHE . 5853 1 18 . GLU . 5853 1 19 . ILE . 5853 1 20 . TRP . 5853 1 21 . LEU . 5853 1 22 . HIS . 5853 1 23 . PHE . 5853 1 24 . ASP . 5853 1 25 . ALA . 5853 1 26 . ASP . 5853 1 27 . GLY . 5853 1 28 . SER . 5853 1 29 . GLY . 5853 1 30 . TYR . 5853 1 31 . LEU . 5853 1 32 . GLU . 5853 1 33 . GLY . 5853 1 34 . LYS . 5853 1 35 . GLU . 5853 1 36 . LEU . 5853 1 37 . GLN . 5853 1 38 . ASN . 5853 1 39 . LEU . 5853 1 40 . ILE . 5853 1 41 . GLN . 5853 1 42 . GLU . 5853 1 43 . LEU . 5853 1 44 . GLN . 5853 1 45 . GLN . 5853 1 46 . ALA . 5853 1 47 . ARG . 5853 1 48 . LYS . 5853 1 49 . LYS . 5853 1 50 . ALA . 5853 1 51 . GLY . 5853 1 52 . LEU . 5853 1 53 . GLU . 5853 1 54 . LEU . 5853 1 55 . SER . 5853 1 56 . PRO . 5853 1 57 . GLU . 5853 1 58 . MET . 5853 1 59 . LYS . 5853 1 60 . THR . 5853 1 61 . PHE . 5853 1 62 . VAL . 5853 1 63 . ASP . 5853 1 64 . GLN . 5853 1 65 . TYR . 5853 1 66 . GLY . 5853 1 67 . GLN . 5853 1 68 . ARG . 5853 1 69 . ASP . 5853 1 70 . ASP . 5853 1 71 . GLY . 5853 1 72 . LYS . 5853 1 73 . ILE . 5853 1 74 . GLY . 5853 1 75 . ILE . 5853 1 76 . VAL . 5853 1 77 . GLU . 5853 1 78 . LEU . 5853 1 79 . ALA . 5853 1 80 . HIS . 5853 1 81 . VAL . 5853 1 82 . LEU . 5853 1 83 . PRO . 5853 1 84 . THR . 5853 1 85 . GLU . 5853 1 86 . GLU . 5853 1 87 . ASN . 5853 1 88 . PHE . 5853 1 89 . LEU . 5853 1 90 . LEU . 5853 1 91 . LEU . 5853 1 92 . PHE . 5853 1 93 . ARG . 5853 1 94 . SER . 5853 1 95 . GLN . 5853 1 96 . GLN . 5853 1 97 . LEU . 5853 1 98 . LYS . 5853 1 99 . SER . 5853 1 100 . SER . 5853 1 101 . GLU . 5853 1 102 . GLU . 5853 1 103 . PHE . 5853 1 104 . MET . 5853 1 105 . LYS . 5853 1 106 . THR . 5853 1 107 . TRP . 5853 1 108 . ARG . 5853 1 109 . LYS . 5853 1 110 . TYR . 5853 1 111 . ASP . 5853 1 112 . THR . 5853 1 113 . ASP . 5853 1 114 . HIS . 5853 1 115 . SER . 5853 1 116 . GLY . 5853 1 117 . PHE . 5853 1 118 . ILE . 5853 1 119 . GLU . 5853 1 120 . THR . 5853 1 121 . GLU . 5853 1 122 . GLU . 5853 1 123 . LEU . 5853 1 124 . LYS . 5853 1 125 . ASN . 5853 1 126 . PHE . 5853 1 127 . LEU . 5853 1 128 . LYS . 5853 1 129 . ASP . 5853 1 130 . LEU . 5853 1 131 . LEU . 5853 1 132 . GLU . 5853 1 133 . LYS . 5853 1 134 . ALA . 5853 1 135 . ASN . 5853 1 136 . LYS . 5853 1 137 . THR . 5853 1 138 . VAL . 5853 1 139 . ASP . 5853 1 140 . ASP . 5853 1 141 . THR . 5853 1 142 . LYS . 5853 1 143 . LEU . 5853 1 144 . ALA . 5853 1 145 . GLU . 5853 1 146 . TYR . 5853 1 147 . THR . 5853 1 148 . ASP . 5853 1 149 . LEU . 5853 1 150 . MET . 5853 1 151 . LEU . 5853 1 152 . LYS . 5853 1 153 . LEU . 5853 1 154 . PHE . 5853 1 155 . ASP . 5853 1 156 . SER . 5853 1 157 . ASN . 5853 1 158 . ASN . 5853 1 159 . ASP . 5853 1 160 . GLY . 5853 1 161 . LYS . 5853 1 162 . LEU . 5853 1 163 . GLU . 5853 1 164 . LEU . 5853 1 165 . THR . 5853 1 166 . GLU . 5853 1 167 . MET . 5853 1 168 . ALA . 5853 1 169 . ARG . 5853 1 170 . LEU . 5853 1 171 . LEU . 5853 1 172 . PRO . 5853 1 173 . VAL . 5853 1 174 . GLN . 5853 1 175 . GLU . 5853 1 176 . ASN . 5853 1 177 . PHE . 5853 1 178 . LEU . 5853 1 179 . LEU . 5853 1 180 . LYS . 5853 1 181 . PHE . 5853 1 182 . GLU . 5853 1 183 . GLY . 5853 1 184 . ILE . 5853 1 185 . LYS . 5853 1 186 . MET . 5853 1 187 . SER . 5853 1 188 . GLY . 5853 1 189 . LYS . 5853 1 190 . GLU . 5853 1 191 . PHE . 5853 1 192 . ASN . 5853 1 193 . LYS . 5853 1 194 . ALA . 5853 1 195 . PHE . 5853 1 196 . GLU . 5853 1 197 . LEU . 5853 1 198 . TYR . 5853 1 199 . ASP . 5853 1 200 . GLN . 5853 1 201 . ASP . 5853 1 202 . GLY . 5853 1 203 . ASP . 5853 1 204 . GLY . 5853 1 205 . TYR . 5853 1 206 . ILE . 5853 1 207 . ASP . 5853 1 208 . GLU . 5853 1 209 . ASN . 5853 1 210 . GLU . 5853 1 211 . LEU . 5853 1 212 . ASP . 5853 1 213 . ALA . 5853 1 214 . LEU . 5853 1 215 . LEU . 5853 1 216 . LYS . 5853 1 217 . ASP . 5853 1 218 . LEU . 5853 1 219 . SER . 5853 1 220 . GLU . 5853 1 221 . LYS . 5853 1 222 . ASN . 5853 1 223 . LYS . 5853 1 224 . GLN . 5853 1 225 . ASP . 5853 1 226 . LEU . 5853 1 227 . ASP . 5853 1 228 . ILE . 5853 1 229 . ASN . 5853 1 230 . ASN . 5853 1 231 . ILE . 5853 1 232 . THR . 5853 1 233 . THR . 5853 1 234 . TYR . 5853 1 235 . LYS . 5853 1 236 . LYS . 5853 1 237 . ASN . 5853 1 238 . ILE . 5853 1 239 . MET . 5853 1 240 . ALA . 5853 1 241 . LEU . 5853 1 242 . SER . 5853 1 243 . ASP . 5853 1 244 . GLY . 5853 1 245 . GLY . 5853 1 246 . LYS . 5853 1 247 . LEU . 5853 1 248 . TYR . 5853 1 249 . ARG . 5853 1 250 . THR . 5853 1 251 . ASP . 5853 1 252 . LEU . 5853 1 253 . ALA . 5853 1 254 . LEU . 5853 1 255 . ILE . 5853 1 256 . LEU . 5853 1 257 . SER . 5853 1 258 . ALA . 5853 1 259 . GLY . 5853 1 260 . ASP . 5853 1 261 . ASN . 5853 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 5853 1 . GLU 2 2 5853 1 . ALA 3 3 5853 1 . SER 4 4 5853 1 . HIS 5 5 5853 1 . LEU 6 6 5853 1 . GLN 7 7 5853 1 . SER 8 8 5853 1 . SER 9 9 5853 1 . LEU 10 10 5853 1 . ILE 11 11 5853 1 . THR 12 12 5853 1 . ALA 13 13 5853 1 . SER 14 14 5853 1 . GLN 15 15 5853 1 . PHE 16 16 5853 1 . PHE 17 17 5853 1 . GLU 18 18 5853 1 . ILE 19 19 5853 1 . TRP 20 20 5853 1 . LEU 21 21 5853 1 . HIS 22 22 5853 1 . PHE 23 23 5853 1 . ASP 24 24 5853 1 . ALA 25 25 5853 1 . ASP 26 26 5853 1 . GLY 27 27 5853 1 . SER 28 28 5853 1 . GLY 29 29 5853 1 . TYR 30 30 5853 1 . LEU 31 31 5853 1 . GLU 32 32 5853 1 . GLY 33 33 5853 1 . LYS 34 34 5853 1 . GLU 35 35 5853 1 . LEU 36 36 5853 1 . GLN 37 37 5853 1 . ASN 38 38 5853 1 . LEU 39 39 5853 1 . ILE 40 40 5853 1 . GLN 41 41 5853 1 . GLU 42 42 5853 1 . LEU 43 43 5853 1 . GLN 44 44 5853 1 . GLN 45 45 5853 1 . ALA 46 46 5853 1 . ARG 47 47 5853 1 . LYS 48 48 5853 1 . LYS 49 49 5853 1 . ALA 50 50 5853 1 . GLY 51 51 5853 1 . LEU 52 52 5853 1 . GLU 53 53 5853 1 . LEU 54 54 5853 1 . SER 55 55 5853 1 . PRO 56 56 5853 1 . GLU 57 57 5853 1 . MET 58 58 5853 1 . LYS 59 59 5853 1 . THR 60 60 5853 1 . PHE 61 61 5853 1 . VAL 62 62 5853 1 . ASP 63 63 5853 1 . GLN 64 64 5853 1 . TYR 65 65 5853 1 . GLY 66 66 5853 1 . GLN 67 67 5853 1 . ARG 68 68 5853 1 . ASP 69 69 5853 1 . ASP 70 70 5853 1 . GLY 71 71 5853 1 . LYS 72 72 5853 1 . ILE 73 73 5853 1 . GLY 74 74 5853 1 . ILE 75 75 5853 1 . VAL 76 76 5853 1 . GLU 77 77 5853 1 . LEU 78 78 5853 1 . ALA 79 79 5853 1 . HIS 80 80 5853 1 . VAL 81 81 5853 1 . LEU 82 82 5853 1 . PRO 83 83 5853 1 . THR 84 84 5853 1 . GLU 85 85 5853 1 . GLU 86 86 5853 1 . ASN 87 87 5853 1 . PHE 88 88 5853 1 . LEU 89 89 5853 1 . LEU 90 90 5853 1 . LEU 91 91 5853 1 . PHE 92 92 5853 1 . ARG 93 93 5853 1 . SER 94 94 5853 1 . GLN 95 95 5853 1 . GLN 96 96 5853 1 . LEU 97 97 5853 1 . LYS 98 98 5853 1 . SER 99 99 5853 1 . SER 100 100 5853 1 . GLU 101 101 5853 1 . GLU 102 102 5853 1 . PHE 103 103 5853 1 . MET 104 104 5853 1 . LYS 105 105 5853 1 . THR 106 106 5853 1 . TRP 107 107 5853 1 . ARG 108 108 5853 1 . LYS 109 109 5853 1 . TYR 110 110 5853 1 . ASP 111 111 5853 1 . THR 112 112 5853 1 . ASP 113 113 5853 1 . HIS 114 114 5853 1 . SER 115 115 5853 1 . GLY 116 116 5853 1 . PHE 117 117 5853 1 . ILE 118 118 5853 1 . GLU 119 119 5853 1 . THR 120 120 5853 1 . GLU 121 121 5853 1 . GLU 122 122 5853 1 . LEU 123 123 5853 1 . LYS 124 124 5853 1 . ASN 125 125 5853 1 . PHE 126 126 5853 1 . LEU 127 127 5853 1 . LYS 128 128 5853 1 . ASP 129 129 5853 1 . LEU 130 130 5853 1 . LEU 131 131 5853 1 . GLU 132 132 5853 1 . LYS 133 133 5853 1 . ALA 134 134 5853 1 . ASN 135 135 5853 1 . LYS 136 136 5853 1 . THR 137 137 5853 1 . VAL 138 138 5853 1 . ASP 139 139 5853 1 . ASP 140 140 5853 1 . THR 141 141 5853 1 . LYS 142 142 5853 1 . LEU 143 143 5853 1 . ALA 144 144 5853 1 . GLU 145 145 5853 1 . TYR 146 146 5853 1 . THR 147 147 5853 1 . ASP 148 148 5853 1 . LEU 149 149 5853 1 . MET 150 150 5853 1 . LEU 151 151 5853 1 . LYS 152 152 5853 1 . LEU 153 153 5853 1 . PHE 154 154 5853 1 . ASP 155 155 5853 1 . SER 156 156 5853 1 . ASN 157 157 5853 1 . ASN 158 158 5853 1 . ASP 159 159 5853 1 . GLY 160 160 5853 1 . LYS 161 161 5853 1 . LEU 162 162 5853 1 . GLU 163 163 5853 1 . LEU 164 164 5853 1 . THR 165 165 5853 1 . GLU 166 166 5853 1 . MET 167 167 5853 1 . ALA 168 168 5853 1 . ARG 169 169 5853 1 . LEU 170 170 5853 1 . LEU 171 171 5853 1 . PRO 172 172 5853 1 . VAL 173 173 5853 1 . GLN 174 174 5853 1 . GLU 175 175 5853 1 . ASN 176 176 5853 1 . PHE 177 177 5853 1 . LEU 178 178 5853 1 . LEU 179 179 5853 1 . LYS 180 180 5853 1 . PHE 181 181 5853 1 . GLU 182 182 5853 1 . GLY 183 183 5853 1 . ILE 184 184 5853 1 . LYS 185 185 5853 1 . MET 186 186 5853 1 . SER 187 187 5853 1 . GLY 188 188 5853 1 . LYS 189 189 5853 1 . GLU 190 190 5853 1 . PHE 191 191 5853 1 . ASN 192 192 5853 1 . LYS 193 193 5853 1 . ALA 194 194 5853 1 . PHE 195 195 5853 1 . GLU 196 196 5853 1 . LEU 197 197 5853 1 . TYR 198 198 5853 1 . ASP 199 199 5853 1 . GLN 200 200 5853 1 . ASP 201 201 5853 1 . GLY 202 202 5853 1 . ASP 203 203 5853 1 . GLY 204 204 5853 1 . TYR 205 205 5853 1 . ILE 206 206 5853 1 . ASP 207 207 5853 1 . GLU 208 208 5853 1 . ASN 209 209 5853 1 . GLU 210 210 5853 1 . LEU 211 211 5853 1 . ASP 212 212 5853 1 . ALA 213 213 5853 1 . LEU 214 214 5853 1 . LEU 215 215 5853 1 . LYS 216 216 5853 1 . ASP 217 217 5853 1 . LEU 218 218 5853 1 . SER 219 219 5853 1 . GLU 220 220 5853 1 . LYS 221 221 5853 1 . ASN 222 222 5853 1 . LYS 223 223 5853 1 . GLN 224 224 5853 1 . ASP 225 225 5853 1 . LEU 226 226 5853 1 . ASP 227 227 5853 1 . ILE 228 228 5853 1 . ASN 229 229 5853 1 . ASN 230 230 5853 1 . ILE 231 231 5853 1 . THR 232 232 5853 1 . THR 233 233 5853 1 . TYR 234 234 5853 1 . LYS 235 235 5853 1 . LYS 236 236 5853 1 . ASN 237 237 5853 1 . ILE 238 238 5853 1 . MET 239 239 5853 1 . ALA 240 240 5853 1 . LEU 241 241 5853 1 . SER 242 242 5853 1 . ASP 243 243 5853 1 . GLY 244 244 5853 1 . GLY 245 245 5853 1 . LYS 246 246 5853 1 . LEU 247 247 5853 1 . TYR 248 248 5853 1 . ARG 249 249 5853 1 . THR 250 250 5853 1 . ASP 251 251 5853 1 . LEU 252 252 5853 1 . ALA 253 253 5853 1 . LEU 254 254 5853 1 . ILE 255 255 5853 1 . LEU 256 256 5853 1 . SER 257 257 5853 1 . ALA 258 258 5853 1 . GLY 259 259 5853 1 . ASP 260 260 5853 1 . ASN 261 261 5853 1 stop_ save_ save_CA _Entity.Sf_category entity _Entity.Sf_framecode CA _Entity.Entry_ID 5853 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name CA _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _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 . _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID CA _Entity.Nonpolymer_comp_label $chem_comp_CA _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _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 . 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 . CA . 5853 2 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 5853 _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 $Calbindin_D28k . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 5853 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 5853 _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 $Calbindin_D28k . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5853 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_CA _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_CA _Chem_comp.Entry_ID 5853 _Chem_comp.ID CA _Chem_comp.Provenance . _Chem_comp.Name 'CALCIUM ION' _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code CA _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 1999-07-08 _Chem_comp.Modified_date 2011-06-04 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code CA _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 2 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula Ca _Chem_comp.Formula_weight 40.078 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Jun 10 15:27:54 2011 ; _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID BHPQYMZQTOCNFJ-UHFFFAOYSA-N InChIKey InChI 1.03 5853 CA [Ca++] SMILES CACTVS 3.341 5853 CA [Ca++] SMILES_CANONICAL CACTVS 3.341 5853 CA [Ca+2] SMILES ACDLabs 10.04 5853 CA [Ca+2] SMILES 'OpenEye OEToolkits' 1.5.0 5853 CA [Ca+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 5853 CA InChI=1S/Ca/q+2 InChI InChI 1.03 5853 CA stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID calcium 'SYSTEMATIC NAME' ACDLabs 10.04 5853 CA 'calcium(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 5853 CA stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID CA . CA . . CA . . N 2 . . . . no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 5853 CA stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 5853 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 'Calbindin D28k' '[U-13C; U-15N]' . . 1 $Calbindin_D28k . . 1.0 . . mM . . . . 5853 1 2 CaCl2 . . . . . . . 11.0 . . mM . . . . 5853 1 3 Mes-buffer . . . . . . . 20.0 . . mM . . . . 5853 1 4 EDTA . . . . . . . 1.0 . . mM . . . . 5853 1 5 NaN3 . . . . . . . 0.02 . . % . . . . 5853 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 5853 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 'Calbindin D28k' [U-15N] . . 1 $Calbindin_D28k . . 2.0 . . mM . . . . 5853 2 2 Mes-buffer . . . . . . . 20.0 . . mM . . . . 5853 2 3 CaCl2 . . . . . . . 11.0 . . mM . . . . 5853 2 4 NaN3 . . . . . . . 0.02 . . % . . . . 5853 2 stop_ save_ ####################### # Sample conditions # ####################### save_Exp_condition_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode Exp_condition_1 _Sample_condition_list.Entry_ID 5853 _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 6.5 0.2 n/a 5853 1 temperature 323 1 K 5853 1 stop_ save_ ############################ # Computer software used # ############################ save_NMR-Pipe _Software.Sf_category software _Software.Sf_framecode NMR-Pipe _Software.Entry_ID 5853 _Software.ID 1 _Software.Name NMRPipe _Software.Version . _Software.Details ; Delaglio et al. J. Biomol. NMR (1995), 6:277-293. ; loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data processing' 5853 1 stop_ save_ save_Ansig_for_Windows _Software.Sf_category software _Software.Sf_framecode Ansig_for_Windows _Software.Entry_ID 5853 _Software.ID 2 _Software.Name 'Ansig for Windows' _Software.Version . _Software.Details ; Helgstrand et al J Biomol NMR (2000), 18:329-336 The semiautomatic assignment approach built in to Ansig for Windows was used. ; loop_ _Task.Task _Task.Entry_ID _Task.Software_ID assignment 5853 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 5853 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Inova _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 5853 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Inova _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 5853 _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 NMR_spectrometer_1 Varian Inova . 600 . . . 5853 1 2 NMR_spectrometer_2 Varian Inova . 800 . . . 5853 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 5853 _Experiment_list.ID 1 _Experiment_list.Details ; The 3D 1H-15N NOESY spectrum was a HSQC-NOESY-HSQC experiment optimized to show amide-amide NOEs. ; 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 '1H-15N HSQC' . . . . . . . . . . . . . . . . 1 $Exp_condition_1 . . . . . . . . . . . . . . . . . . . . . 5853 1 2 HNCA . . . . . . . . . . . . . . . . 1 $Exp_condition_1 . . . . . . . . . . . . . . . . . . . . . 5853 1 3 HNCACB . . . . . . . . . . . . . . . . 1 $Exp_condition_1 . . . . . . . . . . . . . . . . . . . . . 5853 1 4 CBCA(CO)NH . . . . . . . . . . . . . . . . 1 $Exp_condition_1 . . . . . . . . . . . . . . . . . . . . . 5853 1 5 HNCO . . . . . . . . . . . . . . . . 1 $Exp_condition_1 . . . . . . . . . . . . . . . . . . . . . 5853 1 6 (HA)CO(CA)NH . . . . . . . . . . . . . . . . 1 $Exp_condition_1 . . . . . . . . . . . . . . . . . . . . . 5853 1 7 C(CO)NH-TOCSY . . . . . . . . . . . . . . . . 1 $Exp_condition_1 . . . . . . . . . . . . . . . . . . . . . 5853 1 8 H(CCO)NH-TOCSY . . . . . . . . . . . . . . . . 1 $Exp_condition_1 . . . . . . . . . . . . . . . . . . . . . 5853 1 9 '3D 1H-15N NOESY' . . . . . . . . . . . . . . . . 1 $Exp_condition_1 . . . . . . . . . . . . . . . . . . . . . 5853 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 5853 _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 H2O protons . . . . ppm 4.534 internal indirect 0.25144952 internal spherical parallel . . . . . . 5853 1 H 1 H2O protons . . . . ppm 4.534 internal direct 1.0 internal spherical parallel . . . . . . 5853 1 N 15 H2O protons . . . . ppm 4.534 internal indirect 0.10132905 internal spherical parallel . . . . . . 5853 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_Shifts _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode Shifts _Assigned_chem_shift_list.Entry_ID 5853 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Exp_condition_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _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 $sample_1 . 5853 1 . . 2 $sample_2 . 5853 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 5 5 HIS CA C 13 58.0410 0.1 . 1 . . . . . . . . 5853 1 2 . 1 1 5 5 HIS C C 13 177.2130 0.05 . 1 . . . . . . . . 5853 1 3 . 1 1 5 5 HIS CB C 13 31.1230 0.1 . 1 . . . . . . . . 5853 1 4 . 1 1 6 6 LEU H H 1 8.0430 0.01 . 1 . . . . . . . . 5853 1 5 . 1 1 6 6 LEU N N 15 115.9820 0.02 . 1 . . . . . . . . 5853 1 6 . 1 1 6 6 LEU CA C 13 56.5170 0.1 . 1 . . . . . . . . 5853 1 7 . 1 1 6 6 LEU C C 13 176.7440 0.05 . 1 . . . . . . . . 5853 1 8 . 1 1 6 6 LEU CB C 13 41.7390 0.1 . 1 . . . . . . . . 5853 1 9 . 1 1 7 7 GLN H H 1 7.6770 0.01 . 1 . . . . . . . . 5853 1 10 . 1 1 7 7 GLN N N 15 116.1560 0.02 . 1 . . . . . . . . 5853 1 11 . 1 1 7 7 GLN CA C 13 56.2830 0.1 . 1 . . . . . . . . 5853 1 12 . 1 1 7 7 GLN C C 13 174.9860 0.05 . 1 . . . . . . . . 5853 1 13 . 1 1 7 7 GLN CB C 13 29.3110 0.1 . 1 . . . . . . . . 5853 1 14 . 1 1 8 8 SER H H 1 7.3600 0.01 . 1 . . . . . . . . 5853 1 15 . 1 1 8 8 SER N N 15 114.0740 0.02 . 1 . . . . . . . . 5853 1 16 . 1 1 8 8 SER CA C 13 58.8610 0.1 . 1 . . . . . . . . 5853 1 17 . 1 1 8 8 SER C C 13 174.5020 0.05 . 1 . . . . . . . . 5853 1 18 . 1 1 8 8 SER CB C 13 64.5303 0.1 . 1 . . . . . . . . 5853 1 19 . 1 1 9 9 SER H H 1 8.5279 0.01 . 1 . . . . . . . . 5853 1 20 . 1 1 9 9 SER N N 15 118.9363 0.02 . 1 . . . . . . . . 5853 1 21 . 1 1 9 9 SER CA C 13 59.6820 0.1 . 1 . . . . . . . . 5853 1 22 . 1 1 9 9 SER C C 13 173.3450 0.05 . 1 . . . . . . . . 5853 1 23 . 1 1 9 9 SER CB C 13 64.2660 0.1 . 1 . . . . . . . . 5853 1 24 . 1 1 10 10 LEU H H 1 7.6650 0.01 . 1 . . . . . . . . 5853 1 25 . 1 1 10 10 LEU N N 15 123.2970 0.02 . 1 . . . . . . . . 5853 1 26 . 1 1 10 10 LEU CA C 13 55.5800 0.1 . 1 . . . . . . . . 5853 1 27 . 1 1 10 10 LEU C C 13 174.9860 0.05 . 1 . . . . . . . . 5853 1 28 . 1 1 10 10 LEU CB C 13 44.8460 0.1 . 1 . . . . . . . . 5853 1 29 . 1 1 11 11 ILE H H 1 8.6170 0.01 . 1 . . . . . . . . 5853 1 30 . 1 1 11 11 ILE N N 15 126.5210 0.02 . 1 . . . . . . . . 5853 1 31 . 1 1 11 11 ILE CA C 13 59.5640 0.1 . 1 . . . . . . . . 5853 1 32 . 1 1 11 11 ILE C C 13 175.9240 0.05 . 1 . . . . . . . . 5853 1 33 . 1 1 11 11 ILE CB C 13 39.9270 0.1 . 1 . . . . . . . . 5853 1 34 . 1 1 12 12 THR H H 1 8.5310 0.01 . 1 . . . . . . . . 5853 1 35 . 1 1 12 12 THR N N 15 118.3820 0.02 . 1 . . . . . . . . 5853 1 36 . 1 1 12 12 THR CA C 13 61.0880 0.1 . 1 . . . . . . . . 5853 1 37 . 1 1 12 12 THR C C 13 175.2200 0.05 . 1 . . . . . . . . 5853 1 38 . 1 1 12 12 THR CB C 13 71.2570 0.1 . 1 . . . . . . . . 5853 1 39 . 1 1 13 13 ALA H H 1 9.2390 0.01 . 1 . . . . . . . . 5853 1 40 . 1 1 13 13 ALA N N 15 124.0060 0.02 . 1 . . . . . . . . 5853 1 41 . 1 1 13 13 ALA CA C 13 56.1660 0.1 . 1 . . . . . . . . 5853 1 42 . 1 1 13 13 ALA C C 13 178.8530 0.05 . 1 . . . . . . . . 5853 1 43 . 1 1 13 13 ALA CB C 13 18.6950 0.1 . 1 . . . . . . . . 5853 1 44 . 1 1 14 14 SER H H 1 8.2260 0.01 . 1 . . . . . . . . 5853 1 45 . 1 1 14 14 SER N N 15 110.9220 0.02 . 1 . . . . . . . . 5853 1 46 . 1 1 14 14 SER CA C 13 62.0250 0.1 . 1 . . . . . . . . 5853 1 47 . 1 1 14 14 SER C C 13 177.4470 0.05 . 1 . . . . . . . . 5853 1 48 . 1 1 14 14 SER CB C 13 62.9710 0.1 . 1 . . . . . . . . 5853 1 49 . 1 1 15 15 GLN H H 1 7.3600 0.01 . 1 . . . . . . . . 5853 1 50 . 1 1 15 15 GLN N N 15 122.3290 0.02 . 1 . . . . . . . . 5853 1 51 . 1 1 15 15 GLN CA C 13 58.9780 0.1 . 1 . . . . . . . . 5853 1 52 . 1 1 15 15 GLN C C 13 177.9160 0.05 . 1 . . . . . . . . 5853 1 53 . 1 1 15 15 GLN CB C 13 29.5700 0.1 . 1 . . . . . . . . 5853 1 54 . 1 1 16 16 PHE H H 1 8.9340 0.01 . 1 . . . . . . . . 5853 1 55 . 1 1 16 16 PHE N N 15 121.3600 0.02 . 1 . . . . . . . . 5853 1 56 . 1 1 16 16 PHE CA C 13 62.4940 0.1 . 1 . . . . . . . . 5853 1 57 . 1 1 16 16 PHE C C 13 176.6190 0.05 . 1 . . . . . . . . 5853 1 58 . 1 1 16 16 PHE CB C 13 39.1500 0.1 . 1 . . . . . . . . 5853 1 59 . 1 1 17 17 PHE H H 1 8.1908 0.01 . 1 . . . . . . . . 5853 1 60 . 1 1 17 17 PHE N N 15 118.5638 0.02 . 1 . . . . . . . . 5853 1 61 . 1 1 17 17 PHE CA C 13 61.4390 0.1 . 1 . . . . . . . . 5853 1 62 . 1 1 18 18 GLU H H 1 7.5289 0.01 . 1 . . . . . . . . 5853 1 63 . 1 1 18 18 GLU N N 15 117.7753 0.02 . 1 . . . . . . . . 5853 1 64 . 1 1 18 18 GLU CA C 13 60.1536 0.1 . 1 . . . . . . . . 5853 1 65 . 1 1 18 18 GLU C C 13 180.0473 0.05 . 1 . . . . . . . . 5853 1 66 . 1 1 18 18 GLU CB C 13 29.8290 0.1 . 1 . . . . . . . . 5853 1 67 . 1 1 19 19 ILE H H 1 8.2510 0.01 . 1 . . . . . . . . 5853 1 68 . 1 1 19 19 ILE N N 15 121.5190 0.02 . 1 . . . . . . . . 5853 1 69 . 1 1 19 19 ILE CA C 13 65.7760 0.1 . 1 . . . . . . . . 5853 1 70 . 1 1 19 19 ILE C C 13 177.2130 0.05 . 1 . . . . . . . . 5853 1 71 . 1 1 19 19 ILE CB C 13 38.6320 0.1 . 1 . . . . . . . . 5853 1 72 . 1 1 20 20 TRP H H 1 8.5440 0.01 . 1 . . . . . . . . 5853 1 73 . 1 1 20 20 TRP N N 15 121.5620 0.02 . 1 . . . . . . . . 5853 1 74 . 1 1 20 20 TRP CA C 13 61.7910 0.1 . 1 . . . . . . . . 5853 1 75 . 1 1 20 20 TRP C C 13 177.1960 0.05 . 1 . . . . . . . . 5853 1 76 . 1 1 20 20 TRP CB C 13 28.7930 0.1 . 1 . . . . . . . . 5853 1 77 . 1 1 21 21 LEU H H 1 8.1040 0.01 . 1 . . . . . . . . 5853 1 78 . 1 1 21 21 LEU N N 15 115.7220 0.02 . 1 . . . . . . . . 5853 1 79 . 1 1 21 21 LEU CA C 13 57.1861 0.1 . 1 . . . . . . . . 5853 1 80 . 1 1 21 21 LEU C C 13 179.0880 0.05 . 1 . . . . . . . . 5853 1 81 . 1 1 21 21 LEU CB C 13 42.2140 0.1 . 1 . . . . . . . . 5853 1 82 . 1 1 22 22 HIS H H 1 7.4820 0.01 . 1 . . . . . . . . 5853 1 83 . 1 1 22 22 HIS N N 15 115.5340 0.02 . 1 . . . . . . . . 5853 1 84 . 1 1 22 22 HIS CA C 13 58.5100 0.1 . 1 . . . . . . . . 5853 1 85 . 1 1 22 22 HIS C C 13 176.2750 0.05 . 1 . . . . . . . . 5853 1 86 . 1 1 22 22 HIS CB C 13 29.5700 0.1 . 1 . . . . . . . . 5853 1 87 . 1 1 23 23 PHE H H 1 7.5300 0.01 . 1 . . . . . . . . 5853 1 88 . 1 1 23 23 PHE N N 15 113.7560 0.02 . 1 . . . . . . . . 5853 1 89 . 1 1 23 23 PHE CA C 13 61.2931 0.1 . 1 . . . . . . . . 5853 1 90 . 1 1 23 23 PHE C C 13 177.2130 0.05 . 1 . . . . . . . . 5853 1 91 . 1 1 23 23 PHE CB C 13 40.4450 0.1 . 1 . . . . . . . . 5853 1 92 . 1 1 24 24 ASP H H 1 8.1650 0.01 . 1 . . . . . . . . 5853 1 93 . 1 1 24 24 ASP N N 15 121.8370 0.02 . 1 . . . . . . . . 5853 1 94 . 1 1 24 24 ASP CA C 13 52.6500 0.1 . 1 . . . . . . . . 5853 1 95 . 1 1 24 24 ASP C C 13 177.9160 0.05 . 1 . . . . . . . . 5853 1 96 . 1 1 24 24 ASP CB C 13 36.5610 0.1 . 1 . . . . . . . . 5853 1 97 . 1 1 25 25 ALA H H 1 7.7140 0.01 . 1 . . . . . . . . 5853 1 98 . 1 1 25 25 ALA N N 15 128.7760 0.02 . 1 . . . . . . . . 5853 1 99 . 1 1 25 25 ALA CA C 13 54.8760 0.1 . 1 . . . . . . . . 5853 1 100 . 1 1 25 25 ALA C C 13 178.7360 0.05 . 1 . . . . . . . . 5853 1 101 . 1 1 25 25 ALA CB C 13 19.4720 0.1 . 1 . . . . . . . . 5853 1 102 . 1 1 26 26 ASP H H 1 8.1770 0.01 . 1 . . . . . . . . 5853 1 103 . 1 1 26 26 ASP N N 15 114.0020 0.02 . 1 . . . . . . . . 5853 1 104 . 1 1 26 26 ASP CA C 13 52.6500 0.1 . 1 . . . . . . . . 5853 1 105 . 1 1 26 26 ASP C C 13 178.0330 0.05 . 1 . . . . . . . . 5853 1 106 . 1 1 26 26 ASP CB C 13 40.4450 0.1 . 1 . . . . . . . . 5853 1 107 . 1 1 27 27 GLY H H 1 7.8840 0.01 . 1 . . . . . . . . 5853 1 108 . 1 1 27 27 GLY N N 15 109.9390 0.02 . 1 . . . . . . . . 5853 1 109 . 1 1 27 27 GLY CA C 13 47.3760 0.1 . 1 . . . . . . . . 5853 1 110 . 1 1 27 27 GLY C C 13 175.5720 0.05 . 1 . . . . . . . . 5853 1 111 . 1 1 28 28 SER H H 1 8.5560 0.01 . 1 . . . . . . . . 5853 1 112 . 1 1 28 28 SER N N 15 116.8060 0.02 . 1 . . . . . . . . 5853 1 113 . 1 1 28 28 SER CA C 13 60.1500 0.1 . 1 . . . . . . . . 5853 1 114 . 1 1 28 28 SER C C 13 175.9240 0.05 . 1 . . . . . . . . 5853 1 115 . 1 1 28 28 SER CB C 13 64.5250 0.1 . 1 . . . . . . . . 5853 1 116 . 1 1 29 29 GLY H H 1 10.5330 0.01 . 1 . . . . . . . . 5853 1 117 . 1 1 29 29 GLY N N 15 115.2880 0.02 . 1 . . . . . . . . 5853 1 118 . 1 1 29 29 GLY CA C 13 45.5010 0.1 . 1 . . . . . . . . 5853 1 119 . 1 1 30 30 TYR H H 1 8.1650 0.01 . 1 . . . . . . . . 5853 1 120 . 1 1 30 30 TYR N N 15 115.4330 0.02 . 1 . . . . . . . . 5853 1 121 . 1 1 30 30 TYR CA C 13 57.3380 0.1 . 1 . . . . . . . . 5853 1 122 . 1 1 30 30 TYR C C 13 176.6780 0.05 . 1 . . . . . . . . 5853 1 123 . 1 1 31 31 LEU H H 1 9.6490 0.01 . 1 . . . . . . . . 5853 1 124 . 1 1 31 31 LEU N N 15 125.1249 0.02 . 1 . . . . . . . . 5853 1 125 . 1 1 31 31 LEU CA C 13 53.4700 0.1 . 1 . . . . . . . . 5853 1 126 . 1 1 31 31 LEU C C 13 175.6890 0.05 . 1 . . . . . . . . 5853 1 127 . 1 1 31 31 LEU CB C 13 41.5637 0.1 . 1 . . . . . . . . 5853 1 128 . 1 1 32 32 GLU H H 1 8.1921 0.01 . 1 . . . . . . . . 5853 1 129 . 1 1 32 32 GLU N N 15 121.4722 0.02 . 1 . . . . . . . . 5853 1 130 . 1 1 32 32 GLU CA C 13 54.8760 0.1 . 1 . . . . . . . . 5853 1 131 . 1 1 32 32 GLU C C 13 178.1500 0.05 . 1 . . . . . . . . 5853 1 132 . 1 1 32 32 GLU CB C 13 31.5759 0.1 . 1 . . . . . . . . 5853 1 133 . 1 1 33 33 GLY H H 1 8.8850 0.01 . 1 . . . . . . . . 5853 1 134 . 1 1 33 33 GLY N N 15 110.3580 0.02 . 1 . . . . . . . . 5853 1 135 . 1 1 33 33 GLY CA C 13 48.1960 0.1 . 1 . . . . . . . . 5853 1 136 . 1 1 34 34 LYS CA C 13 58.9780 0.1 . 1 . . . . . . . . 5853 1 137 . 1 1 34 34 LYS C C 13 178.2691 0.05 . 1 . . . . . . . . 5853 1 138 . 1 1 34 34 LYS CB C 13 32.4180 0.1 . 1 . . . . . . . . 5853 1 139 . 1 1 35 35 GLU H H 1 8.0680 0.01 . 1 . . . . . . . . 5853 1 140 . 1 1 35 35 GLU N N 15 117.8330 0.02 . 1 . . . . . . . . 5853 1 141 . 1 1 35 35 GLU CA C 13 58.8610 0.1 . 1 . . . . . . . . 5853 1 142 . 1 1 35 35 GLU C C 13 179.5570 0.05 . 1 . . . . . . . . 5853 1 143 . 1 1 35 35 GLU CB C 13 31.1230 0.1 . 1 . . . . . . . . 5853 1 144 . 1 1 36 36 LEU H H 1 6.7860 0.01 . 1 . . . . . . . . 5853 1 145 . 1 1 36 36 LEU N N 15 118.1070 0.02 . 1 . . . . . . . . 5853 1 146 . 1 1 36 36 LEU CA C 13 57.1030 0.1 . 1 . . . . . . . . 5853 1 147 . 1 1 36 36 LEU C C 13 178.3350 0.05 . 1 . . . . . . . . 5853 1 148 . 1 1 36 36 LEU CB C 13 42.5160 0.1 . 1 . . . . . . . . 5853 1 149 . 1 1 37 37 GLN H H 1 7.6400 0.01 . 1 . . . . . . . . 5853 1 150 . 1 1 37 37 GLN N N 15 117.8760 0.02 . 1 . . . . . . . . 5853 1 151 . 1 1 37 37 GLN CA C 13 59.2130 0.1 . 1 . . . . . . . . 5853 1 152 . 1 1 37 37 GLN C C 13 178.7360 0.05 . 1 . . . . . . . . 5853 1 153 . 1 1 37 37 GLN CB C 13 28.2750 0.1 . 1 . . . . . . . . 5853 1 154 . 1 1 38 38 ASN H H 1 8.5310 0.01 . 1 . . . . . . . . 5853 1 155 . 1 1 38 38 ASN N N 15 119.2930 0.02 . 1 . . . . . . . . 5853 1 156 . 1 1 38 38 ASN CA C 13 56.2830 0.1 . 1 . . . . . . . . 5853 1 157 . 1 1 38 38 ASN C C 13 177.2130 0.05 . 1 . . . . . . . . 5853 1 158 . 1 1 38 38 ASN CB C 13 37.8550 0.1 . 1 . . . . . . . . 5853 1 159 . 1 1 39 39 LEU H H 1 7.6040 0.01 . 1 . . . . . . . . 5853 1 160 . 1 1 39 39 LEU N N 15 122.1700 0.02 . 1 . . . . . . . . 5853 1 161 . 1 1 39 39 LEU CA C 13 58.7440 0.1 . 1 . . . . . . . . 5853 1 162 . 1 1 39 39 LEU C C 13 177.7979 0.05 . 1 . . . . . . . . 5853 1 163 . 1 1 39 39 LEU CB C 13 40.4450 0.1 . 1 . . . . . . . . 5853 1 164 . 1 1 40 40 ILE H H 1 8.2364 0.01 . 1 . . . . . . . . 5853 1 165 . 1 1 40 40 ILE N N 15 119.9040 0.02 . 1 . . . . . . . . 5853 1 166 . 1 1 40 40 ILE CA C 13 66.8310 0.1 . 1 . . . . . . . . 5853 1 167 . 1 1 40 40 ILE C C 13 178.1500 0.05 . 1 . . . . . . . . 5853 1 168 . 1 1 40 40 ILE CB C 13 38.1140 0.1 . 1 . . . . . . . . 5853 1 169 . 1 1 41 41 GLN H H 1 8.2630 0.01 . 1 . . . . . . . . 5853 1 170 . 1 1 41 41 GLN N N 15 119.9140 0.02 . 1 . . . . . . . . 5853 1 171 . 1 1 41 41 GLN CA C 13 59.5640 0.1 . 1 . . . . . . . . 5853 1 172 . 1 1 41 41 GLN C C 13 179.0880 0.05 . 1 . . . . . . . . 5853 1 173 . 1 1 41 41 GLN CB C 13 28.7930 0.1 . 1 . . . . . . . . 5853 1 174 . 1 1 42 42 GLU H H 1 8.5440 0.01 . 1 . . . . . . . . 5853 1 175 . 1 1 42 42 GLU N N 15 120.3770 0.02 . 1 . . . . . . . . 5853 1 176 . 1 1 42 42 GLU CA C 13 60.2680 0.1 . 1 . . . . . . . . 5853 1 177 . 1 1 42 42 GLU C C 13 179.3220 0.05 . 1 . . . . . . . . 5853 1 178 . 1 1 42 42 GLU CB C 13 29.4664 0.1 . 1 . . . . . . . . 5853 1 179 . 1 1 43 43 LEU H H 1 9.1420 0.01 . 1 . . . . . . . . 5853 1 180 . 1 1 43 43 LEU N N 15 121.7210 0.02 . 1 . . . . . . . . 5853 1 181 . 1 1 43 43 LEU CA C 13 59.0960 0.1 . 1 . . . . . . . . 5853 1 182 . 1 1 43 43 LEU C C 13 178.2680 0.05 . 1 . . . . . . . . 5853 1 183 . 1 1 43 43 LEU CB C 13 42.7750 0.1 . 1 . . . . . . . . 5853 1 184 . 1 1 44 44 GLN H H 1 7.9330 0.01 . 1 . . . . . . . . 5853 1 185 . 1 1 44 44 GLN N N 15 115.7650 0.02 . 1 . . . . . . . . 5853 1 186 . 1 1 44 44 GLN CA C 13 60.1500 0.1 . 1 . . . . . . . . 5853 1 187 . 1 1 44 44 GLN C C 13 179.2050 0.05 . 1 . . . . . . . . 5853 1 188 . 1 1 44 44 GLN CB C 13 30.3470 0.1 . 1 . . . . . . . . 5853 1 189 . 1 1 45 45 GLN H H 1 8.1770 0.01 . 1 . . . . . . . . 5853 1 190 . 1 1 45 45 GLN N N 15 118.9890 0.02 . 1 . . . . . . . . 5853 1 191 . 1 1 45 45 GLN CA C 13 59.2130 0.1 . 1 . . . . . . . . 5853 1 192 . 1 1 45 45 GLN C C 13 178.2680 0.05 . 1 . . . . . . . . 5853 1 193 . 1 1 45 45 GLN CB C 13 29.0520 0.1 . 1 . . . . . . . . 5853 1 194 . 1 1 46 46 ALA H H 1 8.8490 0.01 . 1 . . . . . . . . 5853 1 195 . 1 1 46 46 ALA N N 15 122.7620 0.02 . 1 . . . . . . . . 5853 1 196 . 1 1 46 46 ALA CA C 13 55.4620 0.1 . 1 . . . . . . . . 5853 1 197 . 1 1 46 46 ALA C C 13 180.6110 0.05 . 1 . . . . . . . . 5853 1 198 . 1 1 46 46 ALA CB C 13 19.2130 0.1 . 1 . . . . . . . . 5853 1 199 . 1 1 47 47 ARG H H 1 7.9090 0.01 . 1 . . . . . . . . 5853 1 200 . 1 1 47 47 ARG N N 15 115.5340 0.02 . 1 . . . . . . . . 5853 1 201 . 1 1 47 47 ARG CA C 13 59.0960 0.1 . 1 . . . . . . . . 5853 1 202 . 1 1 47 47 ARG C C 13 178.0330 0.05 . 1 . . . . . . . . 5853 1 203 . 1 1 47 47 ARG CB C 13 28.2750 0.1 . 1 . . . . . . . . 5853 1 204 . 1 1 48 48 LYS H H 1 7.7380 0.01 . 1 . . . . . . . . 5853 1 205 . 1 1 48 48 LYS N N 15 119.7700 0.02 . 1 . . . . . . . . 5853 1 206 . 1 1 48 48 LYS CA C 13 59.6820 0.1 . 1 . . . . . . . . 5853 1 207 . 1 1 48 48 LYS C C 13 180.8460 0.05 . 1 . . . . . . . . 5853 1 208 . 1 1 48 48 LYS CB C 13 32.4180 0.1 . 1 . . . . . . . . 5853 1 209 . 1 1 49 49 LYS H H 1 8.2750 0.01 . 1 . . . . . . . . 5853 1 210 . 1 1 49 49 LYS N N 15 121.3020 0.02 . 1 . . . . . . . . 5853 1 211 . 1 1 49 49 LYS CA C 13 59.3300 0.1 . 1 . . . . . . . . 5853 1 212 . 1 1 49 49 LYS C C 13 177.9160 0.05 . 1 . . . . . . . . 5853 1 213 . 1 1 49 49 LYS CB C 13 32.6770 0.1 . 1 . . . . . . . . 5853 1 214 . 1 1 50 50 ALA H H 1 7.5166 0.01 . 1 . . . . . . . . 5853 1 215 . 1 1 50 50 ALA N N 15 119.3332 0.02 . 1 . . . . . . . . 5853 1 216 . 1 1 50 50 ALA CA C 13 52.2980 0.1 . 1 . . . . . . . . 5853 1 217 . 1 1 50 50 ALA C C 13 177.4470 0.05 . 1 . . . . . . . . 5853 1 218 . 1 1 50 50 ALA CB C 13 20.2490 0.1 . 1 . . . . . . . . 5853 1 219 . 1 1 51 51 GLY H H 1 7.9330 0.01 . 1 . . . . . . . . 5853 1 220 . 1 1 51 51 GLY N N 15 108.4360 0.02 . 1 . . . . . . . . 5853 1 221 . 1 1 51 51 GLY CA C 13 46.3210 0.1 . 1 . . . . . . . . 5853 1 222 . 1 1 51 51 GLY C C 13 174.4000 0.05 . 1 . . . . . . . . 5853 1 223 . 1 1 52 52 LEU H H 1 8.0430 0.01 . 1 . . . . . . . . 5853 1 224 . 1 1 52 52 LEU N N 15 120.6370 0.02 . 1 . . . . . . . . 5853 1 225 . 1 1 52 52 LEU CA C 13 53.3530 0.1 . 1 . . . . . . . . 5853 1 226 . 1 1 52 52 LEU C C 13 176.5100 0.05 . 1 . . . . . . . . 5853 1 227 . 1 1 52 52 LEU CB C 13 44.5880 0.1 . 1 . . . . . . . . 5853 1 228 . 1 1 53 53 GLU H H 1 8.3715 0.01 . 1 . . . . . . . . 5853 1 229 . 1 1 53 53 GLU N N 15 121.4578 0.02 . 1 . . . . . . . . 5853 1 230 . 1 1 53 53 GLU CA C 13 55.6970 0.1 . 1 . . . . . . . . 5853 1 231 . 1 1 53 53 GLU C C 13 177.9160 0.05 . 1 . . . . . . . . 5853 1 232 . 1 1 53 53 GLU CB C 13 31.1230 0.1 . 1 . . . . . . . . 5853 1 233 . 1 1 54 54 LEU H H 1 8.8240 0.01 . 1 . . . . . . . . 5853 1 234 . 1 1 54 54 LEU N N 15 124.0780 0.02 . 1 . . . . . . . . 5853 1 235 . 1 1 54 54 LEU CA C 13 56.1660 0.1 . 1 . . . . . . . . 5853 1 236 . 1 1 54 54 LEU C C 13 176.8229 0.05 . 1 . . . . . . . . 5853 1 237 . 1 1 54 54 LEU CB C 13 41.7390 0.1 . 1 . . . . . . . . 5853 1 238 . 1 1 55 55 SER H H 1 7.6400 0.01 . 1 . . . . . . . . 5853 1 239 . 1 1 55 55 SER N N 15 121.3890 0.02 . 1 . . . . . . . . 5853 1 240 . 1 1 55 55 SER CA C 13 57.1030 0.1 . 1 . . . . . . . . 5853 1 241 . 1 1 55 55 SER C C 13 172.6380 0.05 . 1 . . . . . . . . 5853 1 242 . 1 1 55 55 SER CB C 13 63.2300 0.1 . 1 . . . . . . . . 5853 1 243 . 1 1 56 56 PRO CA C 13 66.7130 0.1 . 1 . . . . . . . . 5853 1 244 . 1 1 56 56 PRO C C 13 179.5570 0.05 . 1 . . . . . . . . 5853 1 245 . 1 1 56 56 PRO CB C 13 31.9000 0.1 . 1 . . . . . . . . 5853 1 246 . 1 1 57 57 GLU H H 1 9.3980 0.01 . 1 . . . . . . . . 5853 1 247 . 1 1 57 57 GLU N N 15 117.8330 0.02 . 1 . . . . . . . . 5853 1 248 . 1 1 57 57 GLU CA C 13 60.7360 0.1 . 1 . . . . . . . . 5853 1 249 . 1 1 57 57 GLU C C 13 180.3770 0.05 . 1 . . . . . . . . 5853 1 250 . 1 1 57 57 GLU CB C 13 29.0520 0.1 . 1 . . . . . . . . 5853 1 251 . 1 1 58 58 MET H H 1 8.0190 0.01 . 1 . . . . . . . . 5853 1 252 . 1 1 58 58 MET N N 15 120.8830 0.02 . 1 . . . . . . . . 5853 1 253 . 1 1 58 58 MET CA C 13 59.7990 0.1 . 1 . . . . . . . . 5853 1 254 . 1 1 58 58 MET C C 13 177.5640 0.05 . 1 . . . . . . . . 5853 1 255 . 1 1 58 58 MET CB C 13 33.9720 0.1 . 1 . . . . . . . . 5853 1 256 . 1 1 59 59 LYS H H 1 8.8120 0.01 . 1 . . . . . . . . 5853 1 257 . 1 1 59 59 LYS N N 15 121.3460 0.02 . 1 . . . . . . . . 5853 1 258 . 1 1 59 59 LYS CA C 13 60.5020 0.1 . 1 . . . . . . . . 5853 1 259 . 1 1 59 59 LYS C C 13 178.8530 0.05 . 1 . . . . . . . . 5853 1 260 . 1 1 59 59 LYS CB C 13 32.4180 0.1 . 1 . . . . . . . . 5853 1 261 . 1 1 60 60 THR H H 1 8.2260 0.01 . 1 . . . . . . . . 5853 1 262 . 1 1 60 60 THR N N 15 115.9820 0.02 . 1 . . . . . . . . 5853 1 263 . 1 1 60 60 THR CA C 13 66.8310 0.1 . 1 . . . . . . . . 5853 1 264 . 1 1 60 60 THR C C 13 175.6890 0.05 . 1 . . . . . . . . 5853 1 265 . 1 1 60 60 THR CB C 13 69.1850 0.1 . 1 . . . . . . . . 5853 1 266 . 1 1 61 61 PHE H H 1 7.6650 0.01 . 1 . . . . . . . . 5853 1 267 . 1 1 61 61 PHE N N 15 123.5290 0.02 . 1 . . . . . . . . 5853 1 268 . 1 1 61 61 PHE CA C 13 61.5570 0.1 . 1 . . . . . . . . 5853 1 269 . 1 1 61 61 PHE C C 13 176.9780 0.05 . 1 . . . . . . . . 5853 1 270 . 1 1 61 61 PHE CB C 13 40.4450 0.1 . 1 . . . . . . . . 5853 1 271 . 1 1 62 62 VAL H H 1 8.6530 0.01 . 1 . . . . . . . . 5853 1 272 . 1 1 62 62 VAL N N 15 119.0760 0.02 . 1 . . . . . . . . 5853 1 273 . 1 1 62 62 VAL CA C 13 66.8310 0.1 . 1 . . . . . . . . 5853 1 274 . 1 1 62 62 VAL C C 13 179.2050 0.05 . 1 . . . . . . . . 5853 1 275 . 1 1 62 62 VAL CB C 13 31.6410 0.1 . 1 . . . . . . . . 5853 1 276 . 1 1 63 63 ASP H H 1 8.2870 0.01 . 1 . . . . . . . . 5853 1 277 . 1 1 63 63 ASP N N 15 121.9090 0.02 . 1 . . . . . . . . 5853 1 278 . 1 1 63 63 ASP CA C 13 57.5720 0.1 . 1 . . . . . . . . 5853 1 279 . 1 1 63 63 ASP C C 13 178.3850 0.05 . 1 . . . . . . . . 5853 1 280 . 1 1 63 63 ASP CB C 13 40.9630 0.1 . 1 . . . . . . . . 5853 1 281 . 1 1 64 64 GLN H H 1 8.2140 0.01 . 1 . . . . . . . . 5853 1 282 . 1 1 64 64 GLN N N 15 118.1070 0.02 . 1 . . . . . . . . 5853 1 283 . 1 1 64 64 GLN CA C 13 58.5100 0.1 . 1 . . . . . . . . 5853 1 284 . 1 1 64 64 GLN C C 13 178.2680 0.05 . 1 . . . . . . . . 5853 1 285 . 1 1 64 64 GLN CB C 13 29.3110 0.1 . 1 . . . . . . . . 5853 1 286 . 1 1 65 65 TYR H H 1 7.9940 0.01 . 1 . . . . . . . . 5853 1 287 . 1 1 65 65 TYR N N 15 114.3480 0.02 . 1 . . . . . . . . 5853 1 288 . 1 1 65 65 TYR CA C 13 59.9160 0.1 . 1 . . . . . . . . 5853 1 289 . 1 1 65 65 TYR C C 13 176.9780 0.05 . 1 . . . . . . . . 5853 1 290 . 1 1 65 65 TYR CB C 13 39.4377 0.1 . 1 . . . . . . . . 5853 1 291 . 1 1 66 66 GLY H H 1 8.2380 0.01 . 1 . . . . . . . . 5853 1 292 . 1 1 66 66 GLY N N 15 108.6670 0.02 . 1 . . . . . . . . 5853 1 293 . 1 1 66 66 GLY CA C 13 47.3760 0.1 . 1 . . . . . . . . 5853 1 294 . 1 1 67 67 GLN H H 1 8.1514 0.01 . 1 . . . . . . . . 5853 1 295 . 1 1 67 67 GLN N N 15 116.9140 0.02 . 1 . . . . . . . . 5853 1 296 . 1 1 67 67 GLN CA C 13 55.8140 0.1 . 1 . . . . . . . . 5853 1 297 . 1 1 67 67 GLN C C 13 175.3380 0.05 . 1 . . . . . . . . 5853 1 298 . 1 1 67 67 GLN CB C 13 28.7930 0.1 . 1 . . . . . . . . 5853 1 299 . 1 1 68 68 ARG H H 1 7.3230 0.01 . 1 . . . . . . . . 5853 1 300 . 1 1 68 68 ARG N N 15 118.7140 0.02 . 1 . . . . . . . . 5853 1 301 . 1 1 68 68 ARG CA C 13 55.3450 0.1 . 1 . . . . . . . . 5853 1 302 . 1 1 68 68 ARG C C 13 176.2630 0.05 . 1 . . . . . . . . 5853 1 303 . 1 1 68 68 ARG CB C 13 32.4180 0.1 . 1 . . . . . . . . 5853 1 304 . 1 1 69 69 ASP H H 1 8.6449 0.01 . 1 . . . . . . . . 5853 1 305 . 1 1 69 69 ASP N N 15 123.0790 0.02 . 1 . . . . . . . . 5853 1 306 . 1 1 69 69 ASP CA C 13 55.2280 0.1 . 1 . . . . . . . . 5853 1 307 . 1 1 69 69 ASP C C 13 176.6586 0.05 . 1 . . . . . . . . 5853 1 308 . 1 1 69 69 ASP CB C 13 41.4800 0.1 . 1 . . . . . . . . 5853 1 309 . 1 1 70 70 ASP H H 1 8.3850 0.01 . 1 . . . . . . . . 5853 1 310 . 1 1 70 70 ASP N N 15 118.5550 0.02 . 1 . . . . . . . . 5853 1 311 . 1 1 70 70 ASP CA C 13 53.2360 0.1 . 1 . . . . . . . . 5853 1 312 . 1 1 70 70 ASP C C 13 176.7440 0.05 . 1 . . . . . . . . 5853 1 313 . 1 1 70 70 ASP CB C 13 40.9630 0.1 . 1 . . . . . . . . 5853 1 314 . 1 1 71 71 GLY H H 1 8.1040 0.01 . 1 . . . . . . . . 5853 1 315 . 1 1 71 71 GLY N N 15 108.3340 0.02 . 1 . . . . . . . . 5853 1 316 . 1 1 71 71 GLY CA C 13 45.7795 0.1 . 1 . . . . . . . . 5853 1 317 . 1 1 71 71 GLY C C 13 172.6420 0.05 . 1 . . . . . . . . 5853 1 318 . 1 1 72 72 LYS H H 1 7.8223 0.01 . 1 . . . . . . . . 5853 1 319 . 1 1 72 72 LYS N N 15 120.9129 0.02 . 1 . . . . . . . . 5853 1 320 . 1 1 72 72 LYS CA C 13 56.2830 0.1 . 1 . . . . . . . . 5853 1 321 . 1 1 72 72 LYS C C 13 174.8690 0.05 . 1 . . . . . . . . 5853 1 322 . 1 1 72 72 LYS CB C 13 36.0430 0.1 . 1 . . . . . . . . 5853 1 323 . 1 1 73 73 ILE H H 1 8.6660 0.01 . 1 . . . . . . . . 5853 1 324 . 1 1 73 73 ILE N N 15 118.6280 0.02 . 1 . . . . . . . . 5853 1 325 . 1 1 73 73 ILE CA C 13 59.5640 0.1 . 1 . . . . . . . . 5853 1 326 . 1 1 73 73 ILE C C 13 174.6340 0.05 . 1 . . . . . . . . 5853 1 327 . 1 1 73 73 ILE CB C 13 42.7750 0.1 . 1 . . . . . . . . 5853 1 328 . 1 1 74 74 GLY H H 1 8.9340 0.01 . 1 . . . . . . . . 5853 1 329 . 1 1 74 74 GLY N N 15 113.0470 0.02 . 1 . . . . . . . . 5853 1 330 . 1 1 74 74 GLY CA C 13 44.5630 0.1 . 1 . . . . . . . . 5853 1 331 . 1 1 76 76 VAL CA C 13 66.5960 0.1 . 1 . . . . . . . . 5853 1 332 . 1 1 76 76 VAL C C 13 178.3252 0.05 . 1 . . . . . . . . 5853 1 333 . 1 1 77 77 GLU H H 1 8.1482 0.01 . 1 . . . . . . . . 5853 1 334 . 1 1 77 77 GLU N N 15 119.3752 0.02 . 1 . . . . . . . . 5853 1 335 . 1 1 77 77 GLU CA C 13 61.2050 0.1 . 1 . . . . . . . . 5853 1 336 . 1 1 77 77 GLU C C 13 180.1430 0.05 . 1 . . . . . . . . 5853 1 337 . 1 1 77 77 GLU CB C 13 29.5081 0.1 . 1 . . . . . . . . 5853 1 338 . 1 1 78 78 LEU H H 1 8.0430 0.01 . 1 . . . . . . . . 5853 1 339 . 1 1 78 78 LEU N N 15 119.5380 0.02 . 1 . . . . . . . . 5853 1 340 . 1 1 78 78 LEU CA C 13 57.5720 0.1 . 1 . . . . . . . . 5853 1 341 . 1 1 78 78 LEU C C 13 178.6190 0.05 . 1 . . . . . . . . 5853 1 342 . 1 1 78 78 LEU CB C 13 42.2140 0.1 . 1 . . . . . . . . 5853 1 343 . 1 1 79 79 ALA H H 1 8.6050 0.01 . 1 . . . . . . . . 5853 1 344 . 1 1 79 79 ALA N N 15 121.0130 0.02 . 1 . . . . . . . . 5853 1 345 . 1 1 79 79 ALA CA C 13 54.8760 0.1 . 1 . . . . . . . . 5853 1 346 . 1 1 79 79 ALA C C 13 177.4470 0.05 . 1 . . . . . . . . 5853 1 347 . 1 1 79 79 ALA CB C 13 17.6590 0.1 . 1 . . . . . . . . 5853 1 348 . 1 1 80 80 HIS H H 1 7.1640 0.01 . 1 . . . . . . . . 5853 1 349 . 1 1 80 80 HIS N N 15 110.9510 0.02 . 1 . . . . . . . . 5853 1 350 . 1 1 80 80 HIS CA C 13 58.9780 0.1 . 1 . . . . . . . . 5853 1 351 . 1 1 80 80 HIS C C 13 175.9240 0.05 . 1 . . . . . . . . 5853 1 352 . 1 1 80 80 HIS CB C 13 30.3470 0.1 . 1 . . . . . . . . 5853 1 353 . 1 1 81 81 VAL H H 1 7.4210 0.01 . 1 . . . . . . . . 5853 1 354 . 1 1 81 81 VAL N N 15 118.4540 0.02 . 1 . . . . . . . . 5853 1 355 . 1 1 81 81 VAL CA C 13 64.1350 0.1 . 1 . . . . . . . . 5853 1 356 . 1 1 81 81 VAL C C 13 175.5720 0.05 . 1 . . . . . . . . 5853 1 357 . 1 1 81 81 VAL CB C 13 33.1950 0.1 . 1 . . . . . . . . 5853 1 358 . 1 1 82 82 LEU H H 1 7.2620 0.01 . 1 . . . . . . . . 5853 1 359 . 1 1 82 82 LEU N N 15 118.1510 0.02 . 1 . . . . . . . . 5853 1 360 . 1 1 82 82 LEU CA C 13 52.5320 0.1 . 1 . . . . . . . . 5853 1 361 . 1 1 82 82 LEU C C 13 175.3310 0.05 . 1 . . . . . . . . 5853 1 362 . 1 1 82 82 LEU CB C 13 41.4800 0.1 . 1 . . . . . . . . 5853 1 363 . 1 1 84 84 THR CA C 13 62.1540 0.1 . 1 . . . . . . . . 5853 1 364 . 1 1 84 84 THR C C 13 174.9860 0.05 . 1 . . . . . . . . 5853 1 365 . 1 1 84 84 THR CB C 13 70.2210 0.1 . 1 . . . . . . . . 5853 1 366 . 1 1 85 85 GLU H H 1 8.3537 0.01 . 1 . . . . . . . . 5853 1 367 . 1 1 85 85 GLU N N 15 122.7426 0.02 . 1 . . . . . . . . 5853 1 368 . 1 1 85 85 GLU CA C 13 56.9848 0.1 . 1 . . . . . . . . 5853 1 369 . 1 1 85 85 GLU C C 13 177.2130 0.05 . 1 . . . . . . . . 5853 1 370 . 1 1 85 85 GLU CB C 13 30.8640 0.1 . 1 . . . . . . . . 5853 1 371 . 1 1 86 86 GLU H H 1 8.7390 0.01 . 1 . . . . . . . . 5853 1 372 . 1 1 86 86 GLU N N 15 126.2180 0.02 . 1 . . . . . . . . 5853 1 373 . 1 1 86 86 GLU CA C 13 60.2680 0.1 . 1 . . . . . . . . 5853 1 374 . 1 1 86 86 GLU C C 13 177.9210 0.05 . 1 . . . . . . . . 5853 1 375 . 1 1 86 86 GLU CB C 13 30.6060 0.1 . 1 . . . . . . . . 5853 1 376 . 1 1 87 87 ASN H H 1 8.7172 0.01 . 1 . . . . . . . . 5853 1 377 . 1 1 87 87 ASN N N 15 116.8351 0.02 . 1 . . . . . . . . 5853 1 378 . 1 1 87 87 ASN CA C 13 55.7864 0.1 . 1 . . . . . . . . 5853 1 379 . 1 1 87 87 ASN C C 13 178.5369 0.05 . 1 . . . . . . . . 5853 1 380 . 1 1 88 88 PHE H H 1 7.5670 0.01 . 1 . . . . . . . . 5853 1 381 . 1 1 88 88 PHE N N 15 119.7120 0.02 . 1 . . . . . . . . 5853 1 382 . 1 1 88 88 PHE CA C 13 59.5448 0.1 . 1 . . . . . . . . 5853 1 383 . 1 1 88 88 PHE C C 13 175.6890 0.05 . 1 . . . . . . . . 5853 1 384 . 1 1 89 89 LEU H H 1 7.7092 0.01 . 1 . . . . . . . . 5853 1 385 . 1 1 89 89 LEU N N 15 117.8693 0.02 . 1 . . . . . . . . 5853 1 386 . 1 1 89 89 LEU CA C 13 57.5720 0.1 . 1 . . . . . . . . 5853 1 387 . 1 1 89 89 LEU C C 13 178.8530 0.05 . 1 . . . . . . . . 5853 1 388 . 1 1 89 89 LEU CB C 13 41.8603 0.1 . 1 . . . . . . . . 5853 1 389 . 1 1 90 90 LEU H H 1 7.7620 0.01 . 1 . . . . . . . . 5853 1 390 . 1 1 90 90 LEU N N 15 116.8780 0.02 . 1 . . . . . . . . 5853 1 391 . 1 1 90 90 LEU CA C 13 57.9240 0.1 . 1 . . . . . . . . 5853 1 392 . 1 1 90 90 LEU C C 13 178.9050 0.05 . 1 . . . . . . . . 5853 1 393 . 1 1 90 90 LEU CB C 13 41.6960 0.1 . 1 . . . . . . . . 5853 1 394 . 1 1 91 91 LEU H H 1 7.1890 0.01 . 1 . . . . . . . . 5853 1 395 . 1 1 91 91 LEU N N 15 118.3240 0.02 . 1 . . . . . . . . 5853 1 396 . 1 1 91 91 LEU CA C 13 57.4550 0.1 . 1 . . . . . . . . 5853 1 397 . 1 1 91 91 LEU C C 13 177.1819 0.05 . 1 . . . . . . . . 5853 1 398 . 1 1 91 91 LEU CB C 13 40.9190 0.1 . 1 . . . . . . . . 5853 1 399 . 1 1 92 92 PHE H H 1 7.0300 0.01 . 1 . . . . . . . . 5853 1 400 . 1 1 92 92 PHE N N 15 113.0620 0.02 . 1 . . . . . . . . 5853 1 401 . 1 1 92 92 PHE CA C 13 57.8060 0.1 . 1 . . . . . . . . 5853 1 402 . 1 1 92 92 PHE CB C 13 38.8470 0.1 . 1 . . . . . . . . 5853 1 403 . 1 1 93 93 ARG H H 1 7.4570 0.01 . 1 . . . . . . . . 5853 1 404 . 1 1 93 93 ARG N N 15 118.6860 0.02 . 1 . . . . . . . . 5853 1 405 . 1 1 93 93 ARG CA C 13 56.1660 0.1 . 1 . . . . . . . . 5853 1 406 . 1 1 93 93 ARG C C 13 176.2750 0.05 . 1 . . . . . . . . 5853 1 407 . 1 1 93 93 ARG CB C 13 31.1230 0.1 . 1 . . . . . . . . 5853 1 408 . 1 1 94 94 SER H H 1 7.6961 0.01 . 1 . . . . . . . . 5853 1 409 . 1 1 94 94 SER N N 15 115.5821 0.02 . 1 . . . . . . . . 5853 1 410 . 1 1 94 94 SER CA C 13 59.3300 0.1 . 1 . . . . . . . . 5853 1 411 . 1 1 94 94 SER CB C 13 64.5250 0.1 . 1 . . . . . . . . 5853 1 412 . 1 1 95 95 GLN CB C 13 28.7480 0.1 . 1 . . . . . . . . 5853 1 413 . 1 1 96 96 GLN H H 1 8.3790 0.01 . 1 . . . . . . . . 5853 1 414 . 1 1 96 96 GLN N N 15 117.4074 0.02 . 1 . . . . . . . . 5853 1 415 . 1 1 96 96 GLN CA C 13 58.5280 0.1 . 1 . . . . . . . . 5853 1 416 . 1 1 96 96 GLN CB C 13 29.1450 0.1 . 1 . . . . . . . . 5853 1 417 . 1 1 97 97 LEU H H 1 7.3111 0.01 . 1 . . . . . . . . 5853 1 418 . 1 1 97 97 LEU N N 15 115.2132 0.02 . 1 . . . . . . . . 5853 1 419 . 1 1 97 97 LEU CA C 13 53.4700 0.1 . 1 . . . . . . . . 5853 1 420 . 1 1 97 97 LEU C C 13 176.6270 0.05 . 1 . . . . . . . . 5853 1 421 . 1 1 98 98 LYS H H 1 7.4080 0.01 . 1 . . . . . . . . 5853 1 422 . 1 1 98 98 LYS N N 15 116.4160 0.02 . 1 . . . . . . . . 5853 1 423 . 1 1 98 98 LYS CA C 13 57.4550 0.1 . 1 . . . . . . . . 5853 1 424 . 1 1 98 98 LYS C C 13 175.8060 0.05 . 1 . . . . . . . . 5853 1 425 . 1 1 98 98 LYS CB C 13 33.9720 0.1 . 1 . . . . . . . . 5853 1 426 . 1 1 99 99 SER H H 1 7.4210 0.01 . 1 . . . . . . . . 5853 1 427 . 1 1 99 99 SER N N 15 110.6760 0.02 . 1 . . . . . . . . 5853 1 428 . 1 1 99 99 SER CA C 13 55.9310 0.1 . 1 . . . . . . . . 5853 1 429 . 1 1 99 99 SER C C 13 175.0200 0.05 . 1 . . . . . . . . 5853 1 430 . 1 1 99 99 SER CB C 13 66.3370 0.1 . 1 . . . . . . . . 5853 1 431 . 1 1 100 100 SER H H 1 10.0248 0.01 . 1 . . . . . . . . 5853 1 432 . 1 1 100 100 SER N N 15 121.4636 0.02 . 1 . . . . . . . . 5853 1 433 . 1 1 100 100 SER CA C 13 63.1970 0.1 . 1 . . . . . . . . 5853 1 434 . 1 1 100 100 SER C C 13 176.1580 0.05 . 1 . . . . . . . . 5853 1 435 . 1 1 101 101 GLU H H 1 8.4808 0.01 . 1 . . . . . . . . 5853 1 436 . 1 1 101 101 GLU N N 15 123.4522 0.02 . 1 . . . . . . . . 5853 1 437 . 1 1 101 101 GLU CA C 13 60.7360 0.1 . 1 . . . . . . . . 5853 1 438 . 1 1 101 101 GLU C C 13 178.6190 0.05 . 1 . . . . . . . . 5853 1 439 . 1 1 101 101 GLU CB C 13 30.0880 0.1 . 1 . . . . . . . . 5853 1 440 . 1 1 102 102 GLU H H 1 7.6373 0.01 . 1 . . . . . . . . 5853 1 441 . 1 1 102 102 GLU N N 15 118.5812 0.02 . 1 . . . . . . . . 5853 1 442 . 1 1 102 102 GLU CA C 13 58.8610 0.1 . 1 . . . . . . . . 5853 1 443 . 1 1 102 102 GLU C C 13 180.0250 0.05 . 1 . . . . . . . . 5853 1 444 . 1 1 102 102 GLU CB C 13 29.8290 0.1 . 1 . . . . . . . . 5853 1 445 . 1 1 103 103 PHE H H 1 8.7150 0.01 . 1 . . . . . . . . 5853 1 446 . 1 1 103 103 PHE N N 15 123.1090 0.02 . 1 . . . . . . . . 5853 1 447 . 1 1 103 103 PHE CA C 13 62.1430 0.1 . 1 . . . . . . . . 5853 1 448 . 1 1 103 103 PHE C C 13 176.8610 0.05 . 1 . . . . . . . . 5853 1 449 . 1 1 103 103 PHE CB C 13 40.1860 0.1 . 1 . . . . . . . . 5853 1 450 . 1 1 104 104 MET H H 1 8.3480 0.01 . 1 . . . . . . . . 5853 1 451 . 1 1 104 104 MET N N 15 119.0760 0.02 . 1 . . . . . . . . 5853 1 452 . 1 1 104 104 MET CA C 13 57.4550 0.1 . 1 . . . . . . . . 5853 1 453 . 1 1 104 104 MET C C 13 178.6190 0.05 . 1 . . . . . . . . 5853 1 454 . 1 1 104 104 MET CB C 13 32.1458 0.1 . 1 . . . . . . . . 5853 1 455 . 1 1 105 105 LYS H H 1 7.6400 0.01 . 1 . . . . . . . . 5853 1 456 . 1 1 105 105 LYS N N 15 118.1800 0.02 . 1 . . . . . . . . 5853 1 457 . 1 1 105 105 LYS CA C 13 59.9160 0.1 . 1 . . . . . . . . 5853 1 458 . 1 1 105 105 LYS C C 13 179.6740 0.05 . 1 . . . . . . . . 5853 1 459 . 1 1 105 105 LYS CB C 13 32.6770 0.1 . 1 . . . . . . . . 5853 1 460 . 1 1 106 106 THR H H 1 8.3360 0.01 . 1 . . . . . . . . 5853 1 461 . 1 1 106 106 THR N N 15 120.4200 0.02 . 1 . . . . . . . . 5853 1 462 . 1 1 106 106 THR CA C 13 67.4170 0.1 . 1 . . . . . . . . 5853 1 463 . 1 1 106 106 THR C C 13 175.2200 0.05 . 1 . . . . . . . . 5853 1 464 . 1 1 106 106 THR CB C 13 68.6680 0.1 . 1 . . . . . . . . 5853 1 465 . 1 1 107 107 TRP H H 1 8.5190 0.01 . 1 . . . . . . . . 5853 1 466 . 1 1 107 107 TRP N N 15 124.0060 0.02 . 1 . . . . . . . . 5853 1 467 . 1 1 107 107 TRP CA C 13 61.6740 0.1 . 1 . . . . . . . . 5853 1 468 . 1 1 107 107 TRP C C 13 176.5100 0.05 . 1 . . . . . . . . 5853 1 469 . 1 1 107 107 TRP CB C 13 28.0160 0.1 . 1 . . . . . . . . 5853 1 470 . 1 1 108 108 ARG H H 1 7.5790 0.01 . 1 . . . . . . . . 5853 1 471 . 1 1 108 108 ARG N N 15 114.4930 0.02 . 1 . . . . . . . . 5853 1 472 . 1 1 108 108 ARG CA C 13 58.1580 0.1 . 1 . . . . . . . . 5853 1 473 . 1 1 108 108 ARG C C 13 178.1500 0.05 . 1 . . . . . . . . 5853 1 474 . 1 1 108 108 ARG CB C 13 30.3470 0.1 . 1 . . . . . . . . 5853 1 475 . 1 1 109 109 LYS H H 1 7.6400 0.01 . 1 . . . . . . . . 5853 1 476 . 1 1 109 109 LYS N N 15 118.4540 0.02 . 1 . . . . . . . . 5853 1 477 . 1 1 109 109 LYS CA C 13 58.6218 0.1 . 1 . . . . . . . . 5853 1 478 . 1 1 109 109 LYS C C 13 177.5640 0.05 . 1 . . . . . . . . 5853 1 479 . 1 1 109 109 LYS CB C 13 32.6770 0.1 . 1 . . . . . . . . 5853 1 480 . 1 1 110 110 TYR H H 1 7.5180 0.01 . 1 . . . . . . . . 5853 1 481 . 1 1 110 110 TYR N N 15 113.5390 0.02 . 1 . . . . . . . . 5853 1 482 . 1 1 110 110 TYR CA C 13 61.3220 0.1 . 1 . . . . . . . . 5853 1 483 . 1 1 110 110 TYR C C 13 176.7440 0.05 . 1 . . . . . . . . 5853 1 484 . 1 1 110 110 TYR CB C 13 38.6320 0.1 . 1 . . . . . . . . 5853 1 485 . 1 1 111 111 ASP H H 1 7.6006 0.01 . 1 . . . . . . . . 5853 1 486 . 1 1 111 111 ASP N N 15 121.4308 0.02 . 1 . . . . . . . . 5853 1 487 . 1 1 111 111 ASP CA C 13 52.6500 0.1 . 1 . . . . . . . . 5853 1 488 . 1 1 111 111 ASP C C 13 179.4390 0.05 . 1 . . . . . . . . 5853 1 489 . 1 1 111 111 ASP CB C 13 37.0790 0.1 . 1 . . . . . . . . 5853 1 490 . 1 1 112 112 THR H H 1 7.9940 0.01 . 1 . . . . . . . . 5853 1 491 . 1 1 112 112 THR N N 15 117.0810 0.02 . 1 . . . . . . . . 5853 1 492 . 1 1 112 112 THR CA C 13 65.0730 0.1 . 1 . . . . . . . . 5853 1 493 . 1 1 112 112 THR C C 13 176.0410 0.05 . 1 . . . . . . . . 5853 1 494 . 1 1 112 112 THR CB C 13 68.9260 0.1 . 1 . . . . . . . . 5853 1 495 . 1 1 113 113 ASP H H 1 8.0800 0.01 . 1 . . . . . . . . 5853 1 496 . 1 1 113 113 ASP N N 15 118.3100 0.02 . 1 . . . . . . . . 5853 1 497 . 1 1 113 113 ASP CA C 13 52.5320 0.1 . 1 . . . . . . . . 5853 1 498 . 1 1 113 113 ASP C C 13 176.3920 0.05 . 1 . . . . . . . . 5853 1 499 . 1 1 113 113 ASP CB C 13 39.8830 0.1 . 1 . . . . . . . . 5853 1 500 . 1 1 114 114 HIS H H 1 8.0070 0.01 . 1 . . . . . . . . 5853 1 501 . 1 1 114 114 HIS N N 15 117.5000 0.02 . 1 . . . . . . . . 5853 1 502 . 1 1 114 114 HIS CA C 13 56.7520 0.1 . 1 . . . . . . . . 5853 1 503 . 1 1 114 114 HIS C C 13 174.9860 0.05 . 1 . . . . . . . . 5853 1 504 . 1 1 114 114 HIS CB C 13 27.2400 0.1 . 1 . . . . . . . . 5853 1 505 . 1 1 115 115 SER H H 1 8.9460 0.01 . 1 . . . . . . . . 5853 1 506 . 1 1 115 115 SER N N 15 116.3000 0.02 . 1 . . . . . . . . 5853 1 507 . 1 1 115 115 SER CA C 13 59.5640 0.1 . 1 . . . . . . . . 5853 1 508 . 1 1 115 115 SER C C 13 176.3920 0.05 . 1 . . . . . . . . 5853 1 509 . 1 1 115 115 SER CB C 13 65.0430 0.1 . 1 . . . . . . . . 5853 1 510 . 1 1 116 116 GLY H H 1 10.0820 0.01 . 1 . . . . . . . . 5853 1 511 . 1 1 116 116 GLY N N 15 114.1890 0.02 . 1 . . . . . . . . 5853 1 512 . 1 1 116 116 GLY CA C 13 45.6180 0.1 . 1 . . . . . . . . 5853 1 513 . 1 1 116 116 GLY C C 13 171.3530 0.05 . 1 . . . . . . . . 5853 1 514 . 1 1 117 117 PHE H H 1 8.0680 0.01 . 1 . . . . . . . . 5853 1 515 . 1 1 117 117 PHE N N 15 114.7240 0.02 . 1 . . . . . . . . 5853 1 516 . 1 1 117 117 PHE CA C 13 55.8140 0.1 . 1 . . . . . . . . 5853 1 517 . 1 1 117 117 PHE C C 13 174.1660 0.05 . 1 . . . . . . . . 5853 1 518 . 1 1 117 117 PHE CB C 13 43.5520 0.1 . 1 . . . . . . . . 5853 1 519 . 1 1 118 118 ILE H H 1 9.6420 0.01 . 1 . . . . . . . . 5853 1 520 . 1 1 118 118 ILE N N 15 128.0250 0.02 . 1 . . . . . . . . 5853 1 521 . 1 1 118 118 ILE CA C 13 58.7440 0.1 . 1 . . . . . . . . 5853 1 522 . 1 1 118 118 ILE C C 13 176.9780 0.05 . 1 . . . . . . . . 5853 1 523 . 1 1 118 118 ILE CB C 13 36.2580 0.1 . 1 . . . . . . . . 5853 1 524 . 1 1 119 119 GLU H H 1 7.8840 0.01 . 1 . . . . . . . . 5853 1 525 . 1 1 119 119 GLU N N 15 127.2870 0.02 . 1 . . . . . . . . 5853 1 526 . 1 1 119 119 GLU CA C 13 57.8060 0.1 . 1 . . . . . . . . 5853 1 527 . 1 1 119 119 GLU C C 13 178.0330 0.05 . 1 . . . . . . . . 5853 1 528 . 1 1 119 119 GLU CB C 13 29.5700 0.1 . 1 . . . . . . . . 5853 1 529 . 1 1 120 120 THR H H 1 8.8240 0.01 . 1 . . . . . . . . 5853 1 530 . 1 1 120 120 THR N N 15 116.1560 0.02 . 1 . . . . . . . . 5853 1 531 . 1 1 120 120 THR CA C 13 68.7060 0.1 . 1 . . . . . . . . 5853 1 532 . 1 1 120 120 THR C C 13 176.1580 0.05 . 1 . . . . . . . . 5853 1 533 . 1 1 121 121 GLU H H 1 8.8980 0.01 . 1 . . . . . . . . 5853 1 534 . 1 1 121 121 GLU N N 15 119.4520 0.02 . 1 . . . . . . . . 5853 1 535 . 1 1 121 121 GLU CA C 13 60.2680 0.1 . 1 . . . . . . . . 5853 1 536 . 1 1 121 121 GLU C C 13 179.2050 0.05 . 1 . . . . . . . . 5853 1 537 . 1 1 121 121 GLU CB C 13 29.3110 0.1 . 1 . . . . . . . . 5853 1 538 . 1 1 122 122 GLU H H 1 7.0420 0.01 . 1 . . . . . . . . 5853 1 539 . 1 1 122 122 GLU N N 15 119.0330 0.02 . 1 . . . . . . . . 5853 1 540 . 1 1 122 122 GLU CA C 13 58.2750 0.1 . 1 . . . . . . . . 5853 1 541 . 1 1 122 122 GLU C C 13 179.3220 0.05 . 1 . . . . . . . . 5853 1 542 . 1 1 122 122 GLU CB C 13 30.0880 0.1 . 1 . . . . . . . . 5853 1 543 . 1 1 123 123 LEU H H 1 8.4340 0.01 . 1 . . . . . . . . 5853 1 544 . 1 1 123 123 LEU N N 15 122.7620 0.02 . 1 . . . . . . . . 5853 1 545 . 1 1 123 123 LEU CA C 13 57.5720 0.1 . 1 . . . . . . . . 5853 1 546 . 1 1 123 123 LEU C C 13 178.2680 0.05 . 1 . . . . . . . . 5853 1 547 . 1 1 123 123 LEU CB C 13 41.7390 0.1 . 1 . . . . . . . . 5853 1 548 . 1 1 124 124 LYS H H 1 8.3730 0.01 . 1 . . . . . . . . 5853 1 549 . 1 1 124 124 LYS N N 15 119.5820 0.02 . 1 . . . . . . . . 5853 1 550 . 1 1 124 124 LYS CA C 13 60.6190 0.1 . 1 . . . . . . . . 5853 1 551 . 1 1 124 124 LYS C C 13 178.2680 0.05 . 1 . . . . . . . . 5853 1 552 . 1 1 124 124 LYS CB C 13 32.6770 0.1 . 1 . . . . . . . . 5853 1 553 . 1 1 125 125 ASN H H 1 7.4820 0.01 . 1 . . . . . . . . 5853 1 554 . 1 1 125 125 ASN N N 15 117.5720 0.02 . 1 . . . . . . . . 5853 1 555 . 1 1 125 125 ASN CA C 13 56.5170 0.1 . 1 . . . . . . . . 5853 1 556 . 1 1 125 125 ASN C C 13 176.7440 0.05 . 1 . . . . . . . . 5853 1 557 . 1 1 125 125 ASN CB C 13 38.3730 0.1 . 1 . . . . . . . . 5853 1 558 . 1 1 126 126 PHE H H 1 7.9210 0.01 . 1 . . . . . . . . 5853 1 559 . 1 1 126 126 PHE N N 15 122.4440 0.02 . 1 . . . . . . . . 5853 1 560 . 1 1 126 126 PHE CA C 13 60.3850 0.1 . 1 . . . . . . . . 5853 1 561 . 1 1 126 126 PHE C C 13 176.5100 0.05 . 1 . . . . . . . . 5853 1 562 . 1 1 126 126 PHE CB C 13 38.0700 0.1 . 1 . . . . . . . . 5853 1 563 . 1 1 127 127 LEU H H 1 8.4580 0.01 . 1 . . . . . . . . 5853 1 564 . 1 1 127 127 LEU N N 15 119.3070 0.02 . 1 . . . . . . . . 5853 1 565 . 1 1 127 127 LEU CA C 13 57.8336 0.1 . 1 . . . . . . . . 5853 1 566 . 1 1 127 127 LEU C C 13 178.3850 0.05 . 1 . . . . . . . . 5853 1 567 . 1 1 127 127 LEU CB C 13 42.1548 0.1 . 1 . . . . . . . . 5853 1 568 . 1 1 128 128 LYS H H 1 8.5680 0.01 . 1 . . . . . . . . 5853 1 569 . 1 1 128 128 LYS N N 15 119.9720 0.02 . 1 . . . . . . . . 5853 1 570 . 1 1 128 128 LYS CA C 13 60.6190 0.1 . 1 . . . . . . . . 5853 1 571 . 1 1 128 128 LYS C C 13 178.6190 0.05 . 1 . . . . . . . . 5853 1 572 . 1 1 128 128 LYS CB C 13 32.6770 0.1 . 1 . . . . . . . . 5853 1 573 . 1 1 129 129 ASP H H 1 7.8720 0.01 . 1 . . . . . . . . 5853 1 574 . 1 1 129 129 ASP N N 15 119.4370 0.02 . 1 . . . . . . . . 5853 1 575 . 1 1 129 129 ASP CA C 13 57.3380 0.1 . 1 . . . . . . . . 5853 1 576 . 1 1 129 129 ASP C C 13 178.9710 0.05 . 1 . . . . . . . . 5853 1 577 . 1 1 129 129 ASP CB C 13 40.1860 0.1 . 1 . . . . . . . . 5853 1 578 . 1 1 130 130 LEU H H 1 7.8230 0.01 . 1 . . . . . . . . 5853 1 579 . 1 1 130 130 LEU N N 15 121.9240 0.02 . 1 . . . . . . . . 5853 1 580 . 1 1 130 130 LEU CA C 13 58.6270 0.1 . 1 . . . . . . . . 5853 1 581 . 1 1 130 130 LEU C C 13 180.2600 0.05 . 1 . . . . . . . . 5853 1 582 . 1 1 130 130 LEU CB C 13 42.2570 0.1 . 1 . . . . . . . . 5853 1 583 . 1 1 131 131 LEU H H 1 8.2312 0.01 . 1 . . . . . . . . 5853 1 584 . 1 1 131 131 LEU N N 15 120.3034 0.02 . 1 . . . . . . . . 5853 1 585 . 1 1 131 131 LEU CA C 13 58.3920 0.1 . 1 . . . . . . . . 5853 1 586 . 1 1 131 131 LEU C C 13 179.3220 0.05 . 1 . . . . . . . . 5853 1 587 . 1 1 131 131 LEU CB C 13 41.4800 0.1 . 1 . . . . . . . . 5853 1 588 . 1 1 132 132 GLU H H 1 8.4700 0.01 . 1 . . . . . . . . 5853 1 589 . 1 1 132 132 GLU N N 15 120.6370 0.02 . 1 . . . . . . . . 5853 1 590 . 1 1 132 132 GLU CA C 13 60.0330 0.1 . 1 . . . . . . . . 5853 1 591 . 1 1 132 132 GLU C C 13 181.3150 0.05 . 1 . . . . . . . . 5853 1 592 . 1 1 132 132 GLU CB C 13 29.5700 0.1 . 1 . . . . . . . . 5853 1 593 . 1 1 133 133 LYS H H 1 8.0680 0.01 . 1 . . . . . . . . 5853 1 594 . 1 1 133 133 LYS N N 15 121.1580 0.02 . 1 . . . . . . . . 5853 1 595 . 1 1 133 133 LYS CA C 13 58.6270 0.1 . 1 . . . . . . . . 5853 1 596 . 1 1 133 133 LYS C C 13 177.4470 0.05 . 1 . . . . . . . . 5853 1 597 . 1 1 133 133 LYS CB C 13 32.1590 0.1 . 1 . . . . . . . . 5853 1 598 . 1 1 134 134 ALA H H 1 7.3720 0.01 . 1 . . . . . . . . 5853 1 599 . 1 1 134 134 ALA N N 15 121.0850 0.02 . 1 . . . . . . . . 5853 1 600 . 1 1 134 134 ALA CA C 13 51.8290 0.1 . 1 . . . . . . . . 5853 1 601 . 1 1 134 134 ALA C C 13 176.2750 0.05 . 1 . . . . . . . . 5853 1 602 . 1 1 134 134 ALA CB C 13 19.4720 0.1 . 1 . . . . . . . . 5853 1 603 . 1 1 135 135 ASN H H 1 8.1040 0.01 . 1 . . . . . . . . 5853 1 604 . 1 1 135 135 ASN N N 15 114.9990 0.02 . 1 . . . . . . . . 5853 1 605 . 1 1 135 135 ASN CA C 13 54.5250 0.1 . 1 . . . . . . . . 5853 1 606 . 1 1 135 135 ASN C C 13 174.5170 0.05 . 1 . . . . . . . . 5853 1 607 . 1 1 135 135 ASN CB C 13 37.5970 0.1 . 1 . . . . . . . . 5853 1 608 . 1 1 136 136 LYS H H 1 8.0430 0.01 . 1 . . . . . . . . 5853 1 609 . 1 1 136 136 LYS N N 15 118.1510 0.02 . 1 . . . . . . . . 5853 1 610 . 1 1 136 136 LYS CA C 13 54.2900 0.1 . 1 . . . . . . . . 5853 1 611 . 1 1 136 136 LYS C C 13 175.8060 0.05 . 1 . . . . . . . . 5853 1 612 . 1 1 136 136 LYS CB C 13 33.7130 0.1 . 1 . . . . . . . . 5853 1 613 . 1 1 137 137 THR H H 1 8.1160 0.01 . 1 . . . . . . . . 5853 1 614 . 1 1 137 137 THR N N 15 117.0230 0.02 . 1 . . . . . . . . 5853 1 615 . 1 1 137 137 THR CA C 13 62.1430 0.1 . 1 . . . . . . . . 5853 1 616 . 1 1 137 137 THR C C 13 174.2830 0.05 . 1 . . . . . . . . 5853 1 617 . 1 1 137 137 THR CB C 13 70.2210 0.1 . 1 . . . . . . . . 5853 1 618 . 1 1 138 138 VAL H H 1 8.4950 0.01 . 1 . . . . . . . . 5853 1 619 . 1 1 138 138 VAL N N 15 122.8920 0.02 . 1 . . . . . . . . 5853 1 620 . 1 1 138 138 VAL CA C 13 60.8530 0.1 . 1 . . . . . . . . 5853 1 621 . 1 1 138 138 VAL C C 13 174.4000 0.05 . 1 . . . . . . . . 5853 1 622 . 1 1 138 138 VAL CB C 13 34.4890 0.1 . 1 . . . . . . . . 5853 1 623 . 1 1 139 139 ASP H H 1 7.9210 0.01 . 1 . . . . . . . . 5853 1 624 . 1 1 139 139 ASP N N 15 123.9330 0.02 . 1 . . . . . . . . 5853 1 625 . 1 1 139 139 ASP CA C 13 53.3530 0.1 . 1 . . . . . . . . 5853 1 626 . 1 1 139 139 ASP C C 13 176.2120 0.05 . 1 . . . . . . . . 5853 1 627 . 1 1 139 139 ASP CB C 13 42.7750 0.1 . 1 . . . . . . . . 5853 1 628 . 1 1 140 140 ASP H H 1 8.6222 0.01 . 1 . . . . . . . . 5853 1 629 . 1 1 140 140 ASP N N 15 121.0085 0.02 . 1 . . . . . . . . 5853 1 630 . 1 1 140 140 ASP CA C 13 58.3920 0.1 . 1 . . . . . . . . 5853 1 631 . 1 1 140 140 ASP C C 13 179.0880 0.05 . 1 . . . . . . . . 5853 1 632 . 1 1 140 140 ASP CB C 13 41.2210 0.1 . 1 . . . . . . . . 5853 1 633 . 1 1 141 141 THR H H 1 8.2870 0.01 . 1 . . . . . . . . 5853 1 634 . 1 1 141 141 THR N N 15 117.0810 0.02 . 1 . . . . . . . . 5853 1 635 . 1 1 141 141 THR CA C 13 66.3620 0.1 . 1 . . . . . . . . 5853 1 636 . 1 1 141 141 THR C C 13 176.9780 0.05 . 1 . . . . . . . . 5853 1 637 . 1 1 141 141 THR CB C 13 68.6680 0.1 . 1 . . . . . . . . 5853 1 638 . 1 1 142 142 LYS H H 1 8.0800 0.01 . 1 . . . . . . . . 5853 1 639 . 1 1 142 142 LYS N N 15 125.0180 0.02 . 1 . . . . . . . . 5853 1 640 . 1 1 142 142 LYS CA C 13 57.8060 0.1 . 1 . . . . . . . . 5853 1 641 . 1 1 142 142 LYS C C 13 178.3850 0.05 . 1 . . . . . . . . 5853 1 642 . 1 1 142 142 LYS CB C 13 31.6410 0.1 . 1 . . . . . . . . 5853 1 643 . 1 1 143 143 LEU H H 1 8.2990 0.01 . 1 . . . . . . . . 5853 1 644 . 1 1 143 143 LEU N N 15 119.3070 0.02 . 1 . . . . . . . . 5853 1 645 . 1 1 143 143 LEU CA C 13 58.3920 0.1 . 1 . . . . . . . . 5853 1 646 . 1 1 143 143 LEU C C 13 180.1430 0.05 . 1 . . . . . . . . 5853 1 647 . 1 1 143 143 LEU CB C 13 41.9980 0.1 . 1 . . . . . . . . 5853 1 648 . 1 1 144 144 ALA H H 1 8.0550 0.01 . 1 . . . . . . . . 5853 1 649 . 1 1 144 144 ALA N N 15 123.9620 0.02 . 1 . . . . . . . . 5853 1 650 . 1 1 144 144 ALA CA C 13 55.6970 0.1 . 1 . . . . . . . . 5853 1 651 . 1 1 144 144 ALA C C 13 179.7910 0.05 . 1 . . . . . . . . 5853 1 652 . 1 1 144 144 ALA CB C 13 17.9180 0.1 . 1 . . . . . . . . 5853 1 653 . 1 1 145 145 GLU H H 1 7.7441 0.01 . 1 . . . . . . . . 5853 1 654 . 1 1 145 145 GLU N N 15 121.1338 0.02 . 1 . . . . . . . . 5853 1 655 . 1 1 145 145 GLU CA C 13 59.6820 0.1 . 1 . . . . . . . . 5853 1 656 . 1 1 145 145 GLU C C 13 179.7910 0.05 . 1 . . . . . . . . 5853 1 657 . 1 1 145 145 GLU CB C 13 29.8290 0.1 . 1 . . . . . . . . 5853 1 658 . 1 1 146 146 TYR H H 1 8.6290 0.01 . 1 . . . . . . . . 5853 1 659 . 1 1 146 146 TYR N N 15 118.9170 0.02 . 1 . . . . . . . . 5853 1 660 . 1 1 146 146 TYR C C 13 179.0339 0.05 . 1 . . . . . . . . 5853 1 661 . 1 1 152 152 LYS CA C 13 59.9160 0.1 . 1 . . . . . . . . 5853 1 662 . 1 1 152 152 LYS C C 13 179.2050 0.05 . 1 . . . . . . . . 5853 1 663 . 1 1 153 153 LEU H H 1 8.1355 0.01 . 1 . . . . . . . . 5853 1 664 . 1 1 153 153 LEU N N 15 116.8939 0.02 . 1 . . . . . . . . 5853 1 665 . 1 1 153 153 LEU CA C 13 57.6890 0.1 . 1 . . . . . . . . 5853 1 666 . 1 1 153 153 LEU C C 13 178.7360 0.05 . 1 . . . . . . . . 5853 1 667 . 1 1 153 153 LEU CB C 13 43.0340 0.1 . 1 . . . . . . . . 5853 1 668 . 1 1 154 154 PHE H H 1 7.8360 0.01 . 1 . . . . . . . . 5853 1 669 . 1 1 154 154 PHE N N 15 112.5700 0.02 . 1 . . . . . . . . 5853 1 670 . 1 1 154 154 PHE CA C 13 58.7440 0.1 . 1 . . . . . . . . 5853 1 671 . 1 1 154 154 PHE C C 13 176.6270 0.05 . 1 . . . . . . . . 5853 1 672 . 1 1 154 154 PHE CB C 13 40.4450 0.1 . 1 . . . . . . . . 5853 1 673 . 1 1 155 155 ASP H H 1 8.4580 0.01 . 1 . . . . . . . . 5853 1 674 . 1 1 155 155 ASP N N 15 120.4640 0.02 . 1 . . . . . . . . 5853 1 675 . 1 1 155 155 ASP CA C 13 53.4700 0.1 . 1 . . . . . . . . 5853 1 676 . 1 1 155 155 ASP C C 13 177.7990 0.05 . 1 . . . . . . . . 5853 1 677 . 1 1 155 155 ASP CB C 13 39.6240 0.1 . 1 . . . . . . . . 5853 1 678 . 1 1 156 156 SER H H 1 8.4340 0.01 . 1 . . . . . . . . 5853 1 679 . 1 1 156 156 SER N N 15 123.5000 0.02 . 1 . . . . . . . . 5853 1 680 . 1 1 156 156 SER CA C 13 61.2050 0.1 . 1 . . . . . . . . 5853 1 681 . 1 1 156 156 SER C C 13 175.3380 0.05 . 1 . . . . . . . . 5853 1 682 . 1 1 156 156 SER CB C 13 64.0070 0.1 . 1 . . . . . . . . 5853 1 683 . 1 1 157 157 ASN H H 1 8.0190 0.01 . 1 . . . . . . . . 5853 1 684 . 1 1 157 157 ASN N N 15 115.8660 0.02 . 1 . . . . . . . . 5853 1 685 . 1 1 157 157 ASN CA C 13 51.8290 0.1 . 1 . . . . . . . . 5853 1 686 . 1 1 157 157 ASN C C 13 175.3380 0.05 . 1 . . . . . . . . 5853 1 687 . 1 1 157 157 ASN CB C 13 37.5970 0.1 . 1 . . . . . . . . 5853 1 688 . 1 1 158 158 ASN H H 1 7.8720 0.01 . 1 . . . . . . . . 5853 1 689 . 1 1 158 158 ASN N N 15 115.6790 0.02 . 1 . . . . . . . . 5853 1 690 . 1 1 158 158 ASN CA C 13 55.3450 0.1 . 1 . . . . . . . . 5853 1 691 . 1 1 158 158 ASN C C 13 174.5170 0.05 . 1 . . . . . . . . 5853 1 692 . 1 1 158 158 ASN CB C 13 38.1140 0.1 . 1 . . . . . . . . 5853 1 693 . 1 1 159 159 ASP H H 1 8.3970 0.01 . 1 . . . . . . . . 5853 1 694 . 1 1 159 159 ASP N N 15 117.8180 0.02 . 1 . . . . . . . . 5853 1 695 . 1 1 159 159 ASP CA C 13 53.3530 0.1 . 1 . . . . . . . . 5853 1 696 . 1 1 159 159 ASP C C 13 178.3850 0.05 . 1 . . . . . . . . 5853 1 697 . 1 1 159 159 ASP CB C 13 40.9630 0.1 . 1 . . . . . . . . 5853 1 698 . 1 1 160 160 GLY H H 1 10.5820 0.01 . 1 . . . . . . . . 5853 1 699 . 1 1 160 160 GLY N N 15 113.3800 0.02 . 1 . . . . . . . . 5853 1 700 . 1 1 160 160 GLY CA C 13 46.3210 0.1 . 1 . . . . . . . . 5853 1 701 . 1 1 160 160 GLY C C 13 172.7590 0.05 . 1 . . . . . . . . 5853 1 702 . 1 1 161 161 LYS H H 1 7.9580 0.01 . 1 . . . . . . . . 5853 1 703 . 1 1 161 161 LYS N N 15 115.9530 0.02 . 1 . . . . . . . . 5853 1 704 . 1 1 161 161 LYS CA C 13 54.0560 0.1 . 1 . . . . . . . . 5853 1 705 . 1 1 161 161 LYS C C 13 174.6340 0.05 . 1 . . . . . . . . 5853 1 706 . 1 1 161 161 LYS CB C 13 36.5610 0.1 . 1 . . . . . . . . 5853 1 707 . 1 1 162 162 LEU H H 1 8.9710 0.01 . 1 . . . . . . . . 5853 1 708 . 1 1 162 162 LEU N N 15 123.2110 0.02 . 1 . . . . . . . . 5853 1 709 . 1 1 162 162 LEU CA C 13 53.5870 0.1 . 1 . . . . . . . . 5853 1 710 . 1 1 162 162 LEU C C 13 176.5100 0.05 . 1 . . . . . . . . 5853 1 711 . 1 1 162 162 LEU CB C 13 43.5520 0.1 . 1 . . . . . . . . 5853 1 712 . 1 1 163 163 GLU H H 1 9.1660 0.01 . 1 . . . . . . . . 5853 1 713 . 1 1 163 163 GLU N N 15 123.2830 0.02 . 1 . . . . . . . . 5853 1 714 . 1 1 163 163 GLU CA C 13 54.7590 0.1 . 1 . . . . . . . . 5853 1 715 . 1 1 163 163 GLU C C 13 177.0960 0.05 . 1 . . . . . . . . 5853 1 716 . 1 1 163 163 GLU CB C 13 32.6320 0.1 . 1 . . . . . . . . 5853 1 717 . 1 1 164 164 LEU H H 1 9.0320 0.01 . 1 . . . . . . . . 5853 1 718 . 1 1 164 164 LEU N N 15 127.6490 0.02 . 1 . . . . . . . . 5853 1 719 . 1 1 164 164 LEU CA C 13 60.0330 0.1 . 1 . . . . . . . . 5853 1 720 . 1 1 164 164 LEU C C 13 178.6190 0.05 . 1 . . . . . . . . 5853 1 721 . 1 1 164 164 LEU CB C 13 41.9980 0.1 . 1 . . . . . . . . 5853 1 722 . 1 1 165 165 THR H H 1 8.2260 0.01 . 1 . . . . . . . . 5853 1 723 . 1 1 165 165 THR N N 15 106.6430 0.02 . 1 . . . . . . . . 5853 1 724 . 1 1 165 165 THR CA C 13 65.4240 0.1 . 1 . . . . . . . . 5853 1 725 . 1 1 165 165 THR C C 13 176.9780 0.05 . 1 . . . . . . . . 5853 1 726 . 1 1 165 165 THR CB C 13 68.6680 0.1 . 1 . . . . . . . . 5853 1 727 . 1 1 166 166 GLU H H 1 6.9810 0.01 . 1 . . . . . . . . 5853 1 728 . 1 1 166 166 GLU N N 15 119.9870 0.02 . 1 . . . . . . . . 5853 1 729 . 1 1 166 166 GLU CA C 13 58.5100 0.1 . 1 . . . . . . . . 5853 1 730 . 1 1 166 166 GLU C C 13 178.6460 0.05 . 1 . . . . . . . . 5853 1 731 . 1 1 166 166 GLU CB C 13 30.4704 0.1 . 1 . . . . . . . . 5853 1 732 . 1 1 167 167 MET H H 1 8.2582 0.01 . 1 . . . . . . . . 5853 1 733 . 1 1 167 167 MET N N 15 118.2470 0.02 . 1 . . . . . . . . 5853 1 734 . 1 1 167 167 MET CA C 13 58.1580 0.1 . 1 . . . . . . . . 5853 1 735 . 1 1 167 167 MET C C 13 176.8610 0.05 . 1 . . . . . . . . 5853 1 736 . 1 1 167 167 MET CB C 13 33.1950 0.1 . 1 . . . . . . . . 5853 1 737 . 1 1 168 168 ALA H H 1 8.1770 0.01 . 1 . . . . . . . . 5853 1 738 . 1 1 168 168 ALA N N 15 118.5120 0.02 . 1 . . . . . . . . 5853 1 739 . 1 1 168 168 ALA CA C 13 53.9390 0.1 . 1 . . . . . . . . 5853 1 740 . 1 1 168 168 ALA C C 13 177.6820 0.05 . 1 . . . . . . . . 5853 1 741 . 1 1 168 168 ALA CB C 13 17.9180 0.1 . 1 . . . . . . . . 5853 1 742 . 1 1 169 169 ARG H H 1 7.1150 0.01 . 1 . . . . . . . . 5853 1 743 . 1 1 169 169 ARG N N 15 117.2110 0.02 . 1 . . . . . . . . 5853 1 744 . 1 1 169 169 ARG CA C 13 58.3920 0.1 . 1 . . . . . . . . 5853 1 745 . 1 1 169 169 ARG C C 13 175.7970 0.05 . 1 . . . . . . . . 5853 1 746 . 1 1 169 169 ARG CB C 13 30.0880 0.1 . 1 . . . . . . . . 5853 1 747 . 1 1 172 172 PRO CA C 13 63.1970 0.1 . 1 . . . . . . . . 5853 1 748 . 1 1 172 172 PRO CB C 13 32.3730 0.1 . 1 . . . . . . . . 5853 1 749 . 1 1 173 173 VAL H H 1 9.5301 0.01 . 1 . . . . . . . . 5853 1 750 . 1 1 173 173 VAL N N 15 126.6891 0.02 . 1 . . . . . . . . 5853 1 751 . 1 1 173 173 VAL CA C 13 66.8310 0.1 . 1 . . . . . . . . 5853 1 752 . 1 1 173 173 VAL C C 13 178.3850 0.05 . 1 . . . . . . . . 5853 1 753 . 1 1 173 173 VAL CB C 13 31.9773 0.1 . 1 . . . . . . . . 5853 1 754 . 1 1 174 174 GLN H H 1 8.7201 0.01 . 1 . . . . . . . . 5853 1 755 . 1 1 174 174 GLN N N 15 117.5986 0.02 . 1 . . . . . . . . 5853 1 756 . 1 1 174 174 GLN CA C 13 58.2750 0.1 . 1 . . . . . . . . 5853 1 757 . 1 1 174 174 GLN C C 13 177.0960 0.05 . 1 . . . . . . . . 5853 1 758 . 1 1 174 174 GLN CB C 13 28.2750 0.1 . 1 . . . . . . . . 5853 1 759 . 1 1 175 175 GLU H H 1 7.7380 0.01 . 1 . . . . . . . . 5853 1 760 . 1 1 175 175 GLU N N 15 116.6330 0.02 . 1 . . . . . . . . 5853 1 761 . 1 1 175 175 GLU CA C 13 55.3450 0.1 . 1 . . . . . . . . 5853 1 762 . 1 1 175 175 GLU C C 13 176.7632 0.05 . 1 . . . . . . . . 5853 1 763 . 1 1 175 175 GLU CB C 13 31.6410 0.1 . 1 . . . . . . . . 5853 1 764 . 1 1 176 176 ASN H H 1 7.5670 0.01 . 1 . . . . . . . . 5853 1 765 . 1 1 176 176 ASN N N 15 117.4710 0.02 . 1 . . . . . . . . 5853 1 766 . 1 1 176 176 ASN CA C 13 52.5320 0.1 . 1 . . . . . . . . 5853 1 767 . 1 1 176 176 ASN C C 13 176.6270 0.05 . 1 . . . . . . . . 5853 1 768 . 1 1 176 176 ASN CB C 13 36.5610 0.1 . 1 . . . . . . . . 5853 1 769 . 1 1 177 177 PHE H H 1 8.1040 0.01 . 1 . . . . . . . . 5853 1 770 . 1 1 177 177 PHE N N 15 126.7810 0.02 . 1 . . . . . . . . 5853 1 771 . 1 1 177 177 PHE CA C 13 58.8610 0.1 . 1 . . . . . . . . 5853 1 772 . 1 1 177 177 PHE C C 13 175.5720 0.05 . 1 . . . . . . . . 5853 1 773 . 1 1 177 177 PHE CB C 13 38.6320 0.1 . 1 . . . . . . . . 5853 1 774 . 1 1 178 178 LEU H H 1 7.3268 0.01 . 1 . . . . . . . . 5853 1 775 . 1 1 178 178 LEU N N 15 121.0951 0.02 . 1 . . . . . . . . 5853 1 776 . 1 1 178 178 LEU CA C 13 57.2200 0.1 . 1 . . . . . . . . 5853 1 777 . 1 1 178 178 LEU C C 13 180.1430 0.05 . 1 . . . . . . . . 5853 1 778 . 1 1 178 178 LEU CB C 13 39.8539 0.1 . 1 . . . . . . . . 5853 1 779 . 1 1 179 179 LEU H H 1 7.1280 0.01 . 1 . . . . . . . . 5853 1 780 . 1 1 179 179 LEU N N 15 119.3070 0.02 . 1 . . . . . . . . 5853 1 781 . 1 1 179 179 LEU CA C 13 57.3380 0.1 . 1 . . . . . . . . 5853 1 782 . 1 1 179 179 LEU C C 13 179.5570 0.05 . 1 . . . . . . . . 5853 1 783 . 1 1 179 179 LEU CB C 13 41.7390 0.1 . 1 . . . . . . . . 5853 1 784 . 1 1 180 180 LYS H H 1 7.4210 0.01 . 1 . . . . . . . . 5853 1 785 . 1 1 180 180 LYS N N 15 116.7340 0.02 . 1 . . . . . . . . 5853 1 786 . 1 1 180 180 LYS CA C 13 57.2666 0.1 . 1 . . . . . . . . 5853 1 787 . 1 1 180 180 LYS C C 13 177.0960 0.05 . 1 . . . . . . . . 5853 1 788 . 1 1 180 180 LYS CB C 13 31.3820 0.1 . 1 . . . . . . . . 5853 1 789 . 1 1 181 181 PHE H H 1 7.4080 0.01 . 1 . . . . . . . . 5853 1 790 . 1 1 181 181 PHE N N 15 115.8230 0.02 . 1 . . . . . . . . 5853 1 791 . 1 1 181 181 PHE CA C 13 58.5100 0.1 . 1 . . . . . . . . 5853 1 792 . 1 1 181 181 PHE C C 13 176.7440 0.05 . 1 . . . . . . . . 5853 1 793 . 1 1 181 181 PHE CB C 13 39.6680 0.1 . 1 . . . . . . . . 5853 1 794 . 1 1 182 182 GLU H H 1 7.4034 0.01 . 1 . . . . . . . . 5853 1 795 . 1 1 182 182 GLU N N 15 121.0781 0.02 . 1 . . . . . . . . 5853 1 796 . 1 1 182 182 GLU CA C 13 60.0330 0.1 . 1 . . . . . . . . 5853 1 797 . 1 1 182 182 GLU C C 13 178.1500 0.05 . 1 . . . . . . . . 5853 1 798 . 1 1 182 182 GLU CB C 13 30.0880 0.1 . 1 . . . . . . . . 5853 1 799 . 1 1 183 183 GLY H H 1 8.4220 0.01 . 1 . . . . . . . . 5853 1 800 . 1 1 183 183 GLY N N 15 105.5010 0.02 . 1 . . . . . . . . 5853 1 801 . 1 1 183 183 GLY CA C 13 45.9690 0.1 . 1 . . . . . . . . 5853 1 802 . 1 1 183 183 GLY C C 13 174.6340 0.05 . 1 . . . . . . . . 5853 1 803 . 1 1 184 184 ILE H H 1 7.3230 0.01 . 1 . . . . . . . . 5853 1 804 . 1 1 184 184 ILE N N 15 114.4500 0.02 . 1 . . . . . . . . 5853 1 805 . 1 1 184 184 ILE CA C 13 60.3850 0.1 . 1 . . . . . . . . 5853 1 806 . 1 1 184 184 ILE C C 13 174.8690 0.05 . 1 . . . . . . . . 5853 1 807 . 1 1 184 184 ILE CB C 13 38.8910 0.1 . 1 . . . . . . . . 5853 1 808 . 1 1 185 185 LYS H H 1 7.1150 0.01 . 1 . . . . . . . . 5853 1 809 . 1 1 185 185 LYS N N 15 120.4490 0.02 . 1 . . . . . . . . 5853 1 810 . 1 1 185 185 LYS CA C 13 57.6890 0.1 . 1 . . . . . . . . 5853 1 811 . 1 1 185 185 LYS C C 13 176.5100 0.05 . 1 . . . . . . . . 5853 1 812 . 1 1 185 185 LYS CB C 13 33.7130 0.1 . 1 . . . . . . . . 5853 1 813 . 1 1 186 186 MET H H 1 8.6170 0.01 . 1 . . . . . . . . 5853 1 814 . 1 1 186 186 MET N N 15 122.2850 0.02 . 1 . . . . . . . . 5853 1 815 . 1 1 186 186 MET CA C 13 54.9940 0.1 . 1 . . . . . . . . 5853 1 816 . 1 1 186 186 MET C C 13 175.9240 0.05 . 1 . . . . . . . . 5853 1 817 . 1 1 186 186 MET CB C 13 37.8550 0.1 . 1 . . . . . . . . 5853 1 818 . 1 1 187 187 SER H H 1 8.7630 0.01 . 1 . . . . . . . . 5853 1 819 . 1 1 187 187 SER N N 15 117.7170 0.02 . 1 . . . . . . . . 5853 1 820 . 1 1 187 187 SER CA C 13 58.3920 0.1 . 1 . . . . . . . . 5853 1 821 . 1 1 187 187 SER C C 13 175.2200 0.05 . 1 . . . . . . . . 5853 1 822 . 1 1 187 187 SER CB C 13 65.0430 0.1 . 1 . . . . . . . . 5853 1 823 . 1 1 188 188 GLY H H 1 8.9710 0.01 . 1 . . . . . . . . 5853 1 824 . 1 1 188 188 GLY N N 15 111.5290 0.02 . 1 . . . . . . . . 5853 1 825 . 1 1 188 188 GLY CA C 13 48.5480 0.1 . 1 . . . . . . . . 5853 1 826 . 1 1 188 188 GLY C C 13 176.7440 0.05 . 1 . . . . . . . . 5853 1 827 . 1 1 189 189 LYS H H 1 8.5437 0.01 . 1 . . . . . . . . 5853 1 828 . 1 1 189 189 LYS N N 15 121.4503 0.02 . 1 . . . . . . . . 5853 1 829 . 1 1 189 189 LYS CA C 13 59.7990 0.1 . 1 . . . . . . . . 5853 1 830 . 1 1 189 189 LYS C C 13 179.7910 0.05 . 1 . . . . . . . . 5853 1 831 . 1 1 189 189 LYS CB C 13 32.6770 0.1 . 1 . . . . . . . . 5853 1 832 . 1 1 190 190 GLU H H 1 7.7260 0.01 . 1 . . . . . . . . 5853 1 833 . 1 1 190 190 GLU N N 15 120.7380 0.02 . 1 . . . . . . . . 5853 1 834 . 1 1 190 190 GLU CA C 13 59.2130 0.1 . 1 . . . . . . . . 5853 1 835 . 1 1 190 190 GLU C C 13 179.2050 0.05 . 1 . . . . . . . . 5853 1 836 . 1 1 190 190 GLU CB C 13 30.0880 0.1 . 1 . . . . . . . . 5853 1 837 . 1 1 191 191 PHE H H 1 9.3980 0.01 . 1 . . . . . . . . 5853 1 838 . 1 1 191 191 PHE N N 15 122.8200 0.02 . 1 . . . . . . . . 5853 1 839 . 1 1 191 191 PHE CA C 13 62.0250 0.1 . 1 . . . . . . . . 5853 1 840 . 1 1 191 191 PHE C C 13 176.3896 0.05 . 1 . . . . . . . . 5853 1 841 . 1 1 191 191 PHE CB C 13 39.1500 0.1 . 1 . . . . . . . . 5853 1 842 . 1 1 192 192 ASN H H 1 8.3716 0.01 . 1 . . . . . . . . 5853 1 843 . 1 1 192 192 ASN N N 15 118.5441 0.02 . 1 . . . . . . . . 5853 1 844 . 1 1 192 192 ASN CA C 13 56.9860 0.1 . 1 . . . . . . . . 5853 1 845 . 1 1 192 192 ASN C C 13 177.7990 0.05 . 1 . . . . . . . . 5853 1 846 . 1 1 192 192 ASN CB C 13 38.3730 0.1 . 1 . . . . . . . . 5853 1 847 . 1 1 193 193 LYS H H 1 7.3470 0.01 . 1 . . . . . . . . 5853 1 848 . 1 1 193 193 LYS N N 15 119.0900 0.02 . 1 . . . . . . . . 5853 1 849 . 1 1 193 193 LYS CA C 13 58.9780 0.1 . 1 . . . . . . . . 5853 1 850 . 1 1 193 193 LYS C C 13 178.5020 0.05 . 1 . . . . . . . . 5853 1 851 . 1 1 193 193 LYS CB C 13 32.4523 0.1 . 1 . . . . . . . . 5853 1 852 . 1 1 194 194 ALA H H 1 8.2140 0.01 . 1 . . . . . . . . 5853 1 853 . 1 1 194 194 ALA N N 15 123.3410 0.02 . 1 . . . . . . . . 5853 1 854 . 1 1 194 194 ALA CA C 13 55.1110 0.1 . 1 . . . . . . . . 5853 1 855 . 1 1 194 194 ALA C C 13 178.8530 0.05 . 1 . . . . . . . . 5853 1 856 . 1 1 194 194 ALA CB C 13 17.6590 0.1 . 1 . . . . . . . . 5853 1 857 . 1 1 195 195 PHE H H 1 8.7150 0.01 . 1 . . . . . . . . 5853 1 858 . 1 1 195 195 PHE N N 15 119.0180 0.02 . 1 . . . . . . . . 5853 1 859 . 1 1 195 195 PHE CA C 13 63.0800 0.1 . 1 . . . . . . . . 5853 1 860 . 1 1 195 195 PHE C C 13 176.1580 0.05 . 1 . . . . . . . . 5853 1 861 . 1 1 195 195 PHE CB C 13 39.1500 0.1 . 1 . . . . . . . . 5853 1 862 . 1 1 196 196 GLU H H 1 7.2740 0.01 . 1 . . . . . . . . 5853 1 863 . 1 1 196 196 GLU N N 15 113.7990 0.02 . 1 . . . . . . . . 5853 1 864 . 1 1 196 196 GLU CA C 13 58.9780 0.1 . 1 . . . . . . . . 5853 1 865 . 1 1 196 196 GLU C C 13 178.5020 0.05 . 1 . . . . . . . . 5853 1 866 . 1 1 196 196 GLU CB C 13 29.8290 0.1 . 1 . . . . . . . . 5853 1 867 . 1 1 197 197 LEU H H 1 7.5430 0.01 . 1 . . . . . . . . 5853 1 868 . 1 1 197 197 LEU N N 15 119.3360 0.02 . 1 . . . . . . . . 5853 1 869 . 1 1 197 197 LEU CA C 13 57.3380 0.1 . 1 . . . . . . . . 5853 1 870 . 1 1 197 197 LEU C C 13 178.9710 0.05 . 1 . . . . . . . . 5853 1 871 . 1 1 197 197 LEU CB C 13 42.2570 0.1 . 1 . . . . . . . . 5853 1 872 . 1 1 198 198 TYR H H 1 7.8268 0.01 . 1 . . . . . . . . 5853 1 873 . 1 1 198 198 TYR N N 15 115.6085 0.02 . 1 . . . . . . . . 5853 1 874 . 1 1 198 198 TYR CA C 13 60.1500 0.1 . 1 . . . . . . . . 5853 1 875 . 1 1 198 198 TYR C C 13 176.0410 0.05 . 1 . . . . . . . . 5853 1 876 . 1 1 198 198 TYR CB C 13 38.0772 0.1 . 1 . . . . . . . . 5853 1 877 . 1 1 199 199 ASP H H 1 7.4940 0.01 . 1 . . . . . . . . 5853 1 878 . 1 1 199 199 ASP N N 15 120.6660 0.02 . 1 . . . . . . . . 5853 1 879 . 1 1 199 199 ASP CA C 13 53.0010 0.1 . 1 . . . . . . . . 5853 1 880 . 1 1 199 199 ASP C C 13 177.0960 0.05 . 1 . . . . . . . . 5853 1 881 . 1 1 199 199 ASP CB C 13 38.3730 0.1 . 1 . . . . . . . . 5853 1 882 . 1 1 200 200 GLN H H 1 7.9450 0.01 . 1 . . . . . . . . 5853 1 883 . 1 1 200 200 GLN N N 15 126.3620 0.02 . 1 . . . . . . . . 5853 1 884 . 1 1 200 200 GLN CA C 13 58.9780 0.1 . 1 . . . . . . . . 5853 1 885 . 1 1 200 200 GLN C C 13 177.7990 0.05 . 1 . . . . . . . . 5853 1 886 . 1 1 200 200 GLN CB C 13 29.5700 0.1 . 1 . . . . . . . . 5853 1 887 . 1 1 201 201 ASP H H 1 8.3120 0.01 . 1 . . . . . . . . 5853 1 888 . 1 1 201 201 ASP N N 15 115.4910 0.02 . 1 . . . . . . . . 5853 1 889 . 1 1 201 201 ASP CA C 13 53.1180 0.1 . 1 . . . . . . . . 5853 1 890 . 1 1 201 201 ASP C C 13 177.9160 0.05 . 1 . . . . . . . . 5853 1 891 . 1 1 201 201 ASP CB C 13 39.9270 0.1 . 1 . . . . . . . . 5853 1 892 . 1 1 202 202 GLY H H 1 7.6160 0.01 . 1 . . . . . . . . 5853 1 893 . 1 1 202 202 GLY N N 15 110.1700 0.02 . 1 . . . . . . . . 5853 1 894 . 1 1 202 202 GLY CA C 13 47.6100 0.1 . 1 . . . . . . . . 5853 1 895 . 1 1 202 202 GLY C C 13 175.3380 0.05 . 1 . . . . . . . . 5853 1 896 . 1 1 203 203 ASP H H 1 8.4700 0.01 . 1 . . . . . . . . 5853 1 897 . 1 1 203 203 ASP N N 15 120.8690 0.02 . 1 . . . . . . . . 5853 1 898 . 1 1 203 203 ASP CA C 13 54.2900 0.1 . 1 . . . . . . . . 5853 1 899 . 1 1 203 203 ASP C C 13 177.0960 0.05 . 1 . . . . . . . . 5853 1 900 . 1 1 203 203 ASP CB C 13 40.9190 0.1 . 1 . . . . . . . . 5853 1 901 . 1 1 204 204 GLY H H 1 10.5210 0.01 . 1 . . . . . . . . 5853 1 902 . 1 1 204 204 GLY N N 15 113.7560 0.02 . 1 . . . . . . . . 5853 1 903 . 1 1 204 204 GLY CA C 13 45.6180 0.1 . 1 . . . . . . . . 5853 1 904 . 1 1 204 204 GLY C C 13 172.6420 0.05 . 1 . . . . . . . . 5853 1 905 . 1 1 205 205 TYR H H 1 8.2750 0.01 . 1 . . . . . . . . 5853 1 906 . 1 1 205 205 TYR N N 15 118.1070 0.02 . 1 . . . . . . . . 5853 1 907 . 1 1 205 205 TYR CA C 13 56.0480 0.1 . 1 . . . . . . . . 5853 1 908 . 1 1 205 205 TYR C C 13 175.3380 0.05 . 1 . . . . . . . . 5853 1 909 . 1 1 205 205 TYR CB C 13 42.7750 0.1 . 1 . . . . . . . . 5853 1 910 . 1 1 206 206 ILE H H 1 9.2760 0.01 . 1 . . . . . . . . 5853 1 911 . 1 1 206 206 ILE N N 15 125.5240 0.02 . 1 . . . . . . . . 5853 1 912 . 1 1 206 206 ILE CA C 13 57.8060 0.1 . 1 . . . . . . . . 5853 1 913 . 1 1 206 206 ILE C C 13 175.5720 0.05 . 1 . . . . . . . . 5853 1 914 . 1 1 206 206 ILE CB C 13 38.6320 0.1 . 1 . . . . . . . . 5853 1 915 . 1 1 207 207 ASP H H 1 9.2030 0.01 . 1 . . . . . . . . 5853 1 916 . 1 1 207 207 ASP N N 15 129.4410 0.02 . 1 . . . . . . . . 5853 1 917 . 1 1 207 207 ASP CA C 13 52.0640 0.1 . 1 . . . . . . . . 5853 1 918 . 1 1 207 207 ASP C C 13 176.2750 0.05 . 1 . . . . . . . . 5853 1 919 . 1 1 207 207 ASP CB C 13 41.9980 0.1 . 1 . . . . . . . . 5853 1 920 . 1 1 208 208 GLU H H 1 8.6290 0.01 . 1 . . . . . . . . 5853 1 921 . 1 1 208 208 GLU N N 15 117.1820 0.02 . 1 . . . . . . . . 5853 1 922 . 1 1 208 208 GLU CA C 13 60.9710 0.1 . 1 . . . . . . . . 5853 1 923 . 1 1 208 208 GLU C C 13 178.0330 0.05 . 1 . . . . . . . . 5853 1 924 . 1 1 208 208 GLU CB C 13 30.0880 0.1 . 1 . . . . . . . . 5853 1 925 . 1 1 209 209 ASN H H 1 8.0992 0.01 . 1 . . . . . . . . 5853 1 926 . 1 1 209 209 ASN N N 15 118.3324 0.02 . 1 . . . . . . . . 5853 1 927 . 1 1 209 209 ASN CA C 13 56.4000 0.1 . 1 . . . . . . . . 5853 1 928 . 1 1 209 209 ASN C C 13 178.9710 0.05 . 1 . . . . . . . . 5853 1 929 . 1 1 209 209 ASN CB C 13 38.8910 0.1 . 1 . . . . . . . . 5853 1 930 . 1 1 210 210 GLU H H 1 8.8240 0.01 . 1 . . . . . . . . 5853 1 931 . 1 1 210 210 GLU N N 15 124.7140 0.02 . 1 . . . . . . . . 5853 1 932 . 1 1 210 210 GLU CA C 13 58.9780 0.1 . 1 . . . . . . . . 5853 1 933 . 1 1 210 210 GLU C C 13 179.4390 0.05 . 1 . . . . . . . . 5853 1 934 . 1 1 210 210 GLU CB C 13 30.0880 0.1 . 1 . . . . . . . . 5853 1 935 . 1 1 211 211 LEU H H 1 9.0320 0.01 . 1 . . . . . . . . 5853 1 936 . 1 1 211 211 LEU N N 15 121.3750 0.02 . 1 . . . . . . . . 5853 1 937 . 1 1 211 211 LEU CA C 13 57.4550 0.1 . 1 . . . . . . . . 5853 1 938 . 1 1 211 211 LEU C C 13 178.1500 0.05 . 1 . . . . . . . . 5853 1 939 . 1 1 211 211 LEU CB C 13 41.7390 0.1 . 1 . . . . . . . . 5853 1 940 . 1 1 212 212 ASP H H 1 8.0310 0.01 . 1 . . . . . . . . 5853 1 941 . 1 1 212 212 ASP N N 15 120.0300 0.02 . 1 . . . . . . . . 5853 1 942 . 1 1 212 212 ASP CA C 13 58.6270 0.1 . 1 . . . . . . . . 5853 1 943 . 1 1 212 212 ASP C C 13 177.7990 0.05 . 1 . . . . . . . . 5853 1 944 . 1 1 212 212 ASP CB C 13 42.2570 0.1 . 1 . . . . . . . . 5853 1 945 . 1 1 213 213 ALA H H 1 7.3110 0.01 . 1 . . . . . . . . 5853 1 946 . 1 1 213 213 ALA N N 15 120.1890 0.02 . 1 . . . . . . . . 5853 1 947 . 1 1 213 213 ALA CA C 13 55.4620 0.1 . 1 . . . . . . . . 5853 1 948 . 1 1 213 213 ALA C C 13 179.6740 0.05 . 1 . . . . . . . . 5853 1 949 . 1 1 213 213 ALA CB C 13 18.6950 0.1 . 1 . . . . . . . . 5853 1 950 . 1 1 214 214 LEU H H 1 7.7140 0.01 . 1 . . . . . . . . 5853 1 951 . 1 1 214 214 LEU N N 15 121.5480 0.02 . 1 . . . . . . . . 5853 1 952 . 1 1 214 214 LEU CA C 13 58.7440 0.1 . 1 . . . . . . . . 5853 1 953 . 1 1 214 214 LEU C C 13 178.6190 0.05 . 1 . . . . . . . . 5853 1 954 . 1 1 214 214 LEU CB C 13 41.7390 0.1 . 1 . . . . . . . . 5853 1 955 . 1 1 215 215 LEU H H 1 8.7510 0.01 . 1 . . . . . . . . 5853 1 956 . 1 1 215 215 LEU N N 15 118.7000 0.02 . 1 . . . . . . . . 5853 1 957 . 1 1 215 215 LEU CA C 13 58.0410 0.1 . 1 . . . . . . . . 5853 1 958 . 1 1 215 215 LEU C C 13 179.6740 0.05 . 1 . . . . . . . . 5853 1 959 . 1 1 215 215 LEU CB C 13 41.9980 0.1 . 1 . . . . . . . . 5853 1 960 . 1 1 216 216 LYS H H 1 8.2440 0.01 . 1 . . . . . . . . 5853 1 961 . 1 1 216 216 LYS N N 15 121.4839 0.02 . 1 . . . . . . . . 5853 1 962 . 1 1 216 216 LYS CA C 13 60.6190 0.1 . 1 . . . . . . . . 5853 1 963 . 1 1 216 216 LYS C C 13 179.0880 0.05 . 1 . . . . . . . . 5853 1 964 . 1 1 216 216 LYS CB C 13 32.2755 0.1 . 1 . . . . . . . . 5853 1 965 . 1 1 217 217 ASP H H 1 7.8695 0.01 . 1 . . . . . . . . 5853 1 966 . 1 1 217 217 ASP N N 15 121.1243 0.02 . 1 . . . . . . . . 5853 1 967 . 1 1 217 217 ASP CA C 13 57.8060 0.1 . 1 . . . . . . . . 5853 1 968 . 1 1 217 217 ASP C C 13 179.3220 0.05 . 1 . . . . . . . . 5853 1 969 . 1 1 217 217 ASP CB C 13 40.9630 0.1 . 1 . . . . . . . . 5853 1 970 . 1 1 218 218 LEU H H 1 8.5070 0.01 . 1 . . . . . . . . 5853 1 971 . 1 1 218 218 LEU N N 15 119.1340 0.02 . 1 . . . . . . . . 5853 1 972 . 1 1 218 218 LEU CA C 13 58.0361 0.1 . 1 . . . . . . . . 5853 1 973 . 1 1 218 218 LEU C C 13 179.9080 0.05 . 1 . . . . . . . . 5853 1 974 . 1 1 218 218 LEU CB C 13 42.5160 0.1 . 1 . . . . . . . . 5853 1 975 . 1 1 219 219 SER H H 1 8.2510 0.01 . 1 . . . . . . . . 5853 1 976 . 1 1 219 219 SER N N 15 115.0710 0.02 . 1 . . . . . . . . 5853 1 977 . 1 1 219 219 SER CA C 13 61.9080 0.1 . 1 . . . . . . . . 5853 1 978 . 1 1 219 219 SER C C 13 175.9139 0.05 . 1 . . . . . . . . 5853 1 979 . 1 1 219 219 SER CB C 13 63.4890 0.1 . 1 . . . . . . . . 5853 1 980 . 1 1 220 220 GLU H H 1 7.7990 0.01 . 1 . . . . . . . . 5853 1 981 . 1 1 220 220 GLU N N 15 120.9120 0.02 . 1 . . . . . . . . 5853 1 982 . 1 1 220 220 GLU CA C 13 58.8610 0.1 . 1 . . . . . . . . 5853 1 983 . 1 1 220 220 GLU C C 13 178.8530 0.05 . 1 . . . . . . . . 5853 1 984 . 1 1 220 220 GLU CB C 13 30.0880 0.1 . 1 . . . . . . . . 5853 1 985 . 1 1 221 221 LYS H H 1 7.7990 0.01 . 1 . . . . . . . . 5853 1 986 . 1 1 221 221 LYS N N 15 117.8610 0.02 . 1 . . . . . . . . 5853 1 987 . 1 1 221 221 LYS CA C 13 58.1580 0.1 . 1 . . . . . . . . 5853 1 988 . 1 1 221 221 LYS C C 13 177.0960 0.05 . 1 . . . . . . . . 5853 1 989 . 1 1 221 221 LYS CB C 13 33.7130 0.1 . 1 . . . . . . . . 5853 1 990 . 1 1 222 222 ASN H H 1 7.6890 0.01 . 1 . . . . . . . . 5853 1 991 . 1 1 222 222 ASN N N 15 118.4250 0.02 . 1 . . . . . . . . 5853 1 992 . 1 1 222 222 ASN CA C 13 53.1180 0.1 . 1 . . . . . . . . 5853 1 993 . 1 1 222 222 ASN C C 13 175.1030 0.05 . 1 . . . . . . . . 5853 1 994 . 1 1 222 222 ASN CB C 13 39.9270 0.1 . 1 . . . . . . . . 5853 1 995 . 1 1 223 223 LYS H H 1 7.8480 0.01 . 1 . . . . . . . . 5853 1 996 . 1 1 223 223 LYS N N 15 120.5500 0.02 . 1 . . . . . . . . 5853 1 997 . 1 1 223 223 LYS CA C 13 58.6270 0.1 . 1 . . . . . . . . 5853 1 998 . 1 1 223 223 LYS C C 13 177.2130 0.05 . 1 . . . . . . . . 5853 1 999 . 1 1 223 223 LYS CB C 13 32.4180 0.1 . 1 . . . . . . . . 5853 1 1000 . 1 1 224 224 GLN H H 1 8.3349 0.01 . 1 . . . . . . . . 5853 1 1001 . 1 1 224 224 GLN N N 15 117.4152 0.02 . 1 . . . . . . . . 5853 1 1002 . 1 1 224 224 GLN CA C 13 56.9860 0.1 . 1 . . . . . . . . 5853 1 1003 . 1 1 224 224 GLN C C 13 176.1580 0.05 . 1 . . . . . . . . 5853 1 1004 . 1 1 224 224 GLN CB C 13 29.3110 0.1 . 1 . . . . . . . . 5853 1 1005 . 1 1 225 225 ASP H H 1 7.8480 0.01 . 1 . . . . . . . . 5853 1 1006 . 1 1 225 225 ASP N N 15 119.1770 0.02 . 1 . . . . . . . . 5853 1 1007 . 1 1 225 225 ASP CA C 13 55.5800 0.1 . 1 . . . . . . . . 5853 1 1008 . 1 1 225 225 ASP C C 13 175.7611 0.05 . 1 . . . . . . . . 5853 1 1009 . 1 1 225 225 ASP CB C 13 42.7750 0.1 . 1 . . . . . . . . 5853 1 1010 . 1 1 226 226 LEU H H 1 7.7994 0.01 . 1 . . . . . . . . 5853 1 1011 . 1 1 226 226 LEU N N 15 121.2504 0.02 . 1 . . . . . . . . 5853 1 1012 . 1 1 226 226 LEU CA C 13 54.6420 0.1 . 1 . . . . . . . . 5853 1 1013 . 1 1 226 226 LEU C C 13 175.4550 0.05 . 1 . . . . . . . . 5853 1 1014 . 1 1 226 226 LEU CB C 13 43.2930 0.1 . 1 . . . . . . . . 5853 1 1015 . 1 1 227 227 ASP H H 1 8.2140 0.01 . 1 . . . . . . . . 5853 1 1016 . 1 1 227 227 ASP N N 15 122.2270 0.02 . 1 . . . . . . . . 5853 1 1017 . 1 1 227 227 ASP CA C 13 53.9390 0.1 . 1 . . . . . . . . 5853 1 1018 . 1 1 227 227 ASP C C 13 177.4470 0.05 . 1 . . . . . . . . 5853 1 1019 . 1 1 227 227 ASP CB C 13 41.9980 0.1 . 1 . . . . . . . . 5853 1 1020 . 1 1 228 228 ILE H H 1 8.3240 0.01 . 1 . . . . . . . . 5853 1 1021 . 1 1 228 228 ILE N N 15 124.0350 0.02 . 1 . . . . . . . . 5853 1 1022 . 1 1 228 228 ILE CA C 13 62.6110 0.1 . 1 . . . . . . . . 5853 1 1023 . 1 1 228 228 ILE C C 13 176.8730 0.05 . 1 . . . . . . . . 5853 1 1024 . 1 1 228 228 ILE CB C 13 38.6320 0.1 . 1 . . . . . . . . 5853 1 1025 . 1 1 229 229 ASN H H 1 8.5135 0.01 . 1 . . . . . . . . 5853 1 1026 . 1 1 229 229 ASN N N 15 120.3763 0.02 . 1 . . . . . . . . 5853 1 1027 . 1 1 229 229 ASN CA C 13 55.3450 0.1 . 1 . . . . . . . . 5853 1 1028 . 1 1 229 229 ASN C C 13 176.1600 0.05 . 1 . . . . . . . . 5853 1 1029 . 1 1 229 229 ASN CB C 13 38.5880 0.1 . 1 . . . . . . . . 5853 1 1030 . 1 1 230 230 ASN H H 1 8.1676 0.01 . 1 . . . . . . . . 5853 1 1031 . 1 1 230 230 ASN N N 15 118.2835 0.02 . 1 . . . . . . . . 5853 1 1032 . 1 1 230 230 ASN CA C 13 53.3549 0.1 . 1 . . . . . . . . 5853 1 1033 . 1 1 230 230 ASN C C 13 176.2750 0.05 . 1 . . . . . . . . 5853 1 1034 . 1 1 230 230 ASN CB C 13 39.6198 0.1 . 1 . . . . . . . . 5853 1 1035 . 1 1 231 231 ILE H H 1 7.7500 0.01 . 1 . . . . . . . . 5853 1 1036 . 1 1 231 231 ILE N N 15 120.0730 0.02 . 1 . . . . . . . . 5853 1 1037 . 1 1 231 231 ILE CA C 13 65.0730 0.1 . 1 . . . . . . . . 5853 1 1038 . 1 1 231 231 ILE C C 13 177.0960 0.05 . 1 . . . . . . . . 5853 1 1039 . 1 1 231 231 ILE CB C 13 38.1140 0.1 . 1 . . . . . . . . 5853 1 1040 . 1 1 232 232 THR H H 1 8.1650 0.01 . 1 . . . . . . . . 5853 1 1041 . 1 1 232 232 THR N N 15 115.3600 0.02 . 1 . . . . . . . . 5853 1 1042 . 1 1 232 232 THR CA C 13 66.5960 0.1 . 1 . . . . . . . . 5853 1 1043 . 1 1 232 232 THR C C 13 176.6270 0.05 . 1 . . . . . . . . 5853 1 1044 . 1 1 232 232 THR CB C 13 68.4090 0.1 . 1 . . . . . . . . 5853 1 1045 . 1 1 233 233 THR H H 1 7.4820 0.01 . 1 . . . . . . . . 5853 1 1046 . 1 1 233 233 THR N N 15 118.7430 0.02 . 1 . . . . . . . . 5853 1 1047 . 1 1 233 233 THR CA C 13 66.0100 0.1 . 1 . . . . . . . . 5853 1 1048 . 1 1 233 233 THR C C 13 176.0410 0.05 . 1 . . . . . . . . 5853 1 1049 . 1 1 233 233 THR CB C 13 68.6280 0.1 . 1 . . . . . . . . 5853 1 1050 . 1 1 234 234 TYR H H 1 7.7123 0.01 . 1 . . . . . . . . 5853 1 1051 . 1 1 234 234 TYR N N 15 121.1338 0.02 . 1 . . . . . . . . 5853 1 1052 . 1 1 234 234 TYR CA C 13 59.0960 0.1 . 1 . . . . . . . . 5853 1 1053 . 1 1 234 234 TYR C C 13 177.3300 0.05 . 1 . . . . . . . . 5853 1 1054 . 1 1 234 234 TYR CB C 13 37.3380 0.1 . 1 . . . . . . . . 5853 1 1055 . 1 1 235 235 LYS H H 1 8.3480 0.01 . 1 . . . . . . . . 5853 1 1056 . 1 1 235 235 LYS N N 15 119.4520 0.02 . 1 . . . . . . . . 5853 1 1057 . 1 1 235 235 LYS CA C 13 60.9710 0.1 . 1 . . . . . . . . 5853 1 1058 . 1 1 235 235 LYS C C 13 177.5640 0.05 . 1 . . . . . . . . 5853 1 1059 . 1 1 235 235 LYS CB C 13 32.4180 0.1 . 1 . . . . . . . . 5853 1 1060 . 1 1 236 236 LYS H H 1 7.9940 0.01 . 1 . . . . . . . . 5853 1 1061 . 1 1 236 236 LYS N N 15 118.5120 0.02 . 1 . . . . . . . . 5853 1 1062 . 1 1 236 236 LYS CA C 13 59.6820 0.1 . 1 . . . . . . . . 5853 1 1063 . 1 1 236 236 LYS C C 13 178.9710 0.05 . 1 . . . . . . . . 5853 1 1064 . 1 1 236 236 LYS CB C 13 32.1590 0.1 . 1 . . . . . . . . 5853 1 1065 . 1 1 237 237 ASN H H 1 7.7140 0.01 . 1 . . . . . . . . 5853 1 1066 . 1 1 237 237 ASN N N 15 117.5150 0.02 . 1 . . . . . . . . 5853 1 1067 . 1 1 237 237 ASN CA C 13 56.6340 0.1 . 1 . . . . . . . . 5853 1 1068 . 1 1 237 237 ASN C C 13 176.1580 0.05 . 1 . . . . . . . . 5853 1 1069 . 1 1 237 237 ASN CB C 13 38.6320 0.1 . 1 . . . . . . . . 5853 1 1070 . 1 1 238 238 ILE H H 1 7.9090 0.01 . 1 . . . . . . . . 5853 1 1071 . 1 1 238 238 ILE N N 15 118.1070 0.02 . 1 . . . . . . . . 5853 1 1072 . 1 1 238 238 ILE CA C 13 65.7760 0.1 . 1 . . . . . . . . 5853 1 1073 . 1 1 238 238 ILE C C 13 177.8435 0.05 . 1 . . . . . . . . 5853 1 1074 . 1 1 238 238 ILE CB C 13 38.3290 0.1 . 1 . . . . . . . . 5853 1 1075 . 1 1 239 239 MET H H 1 8.3850 0.01 . 1 . . . . . . . . 5853 1 1076 . 1 1 239 239 MET N N 15 115.5340 0.02 . 1 . . . . . . . . 5853 1 1077 . 1 1 239 239 MET CA C 13 56.4000 0.1 . 1 . . . . . . . . 5853 1 1078 . 1 1 239 239 MET C C 13 179.3220 0.05 . 1 . . . . . . . . 5853 1 1079 . 1 1 239 239 MET CB C 13 30.2513 0.1 . 1 . . . . . . . . 5853 1 1080 . 1 1 240 240 ALA H H 1 7.4820 0.01 . 1 . . . . . . . . 5853 1 1081 . 1 1 240 240 ALA N N 15 124.7570 0.02 . 1 . . . . . . . . 5853 1 1082 . 1 1 240 240 ALA CA C 13 54.7590 0.1 . 1 . . . . . . . . 5853 1 1083 . 1 1 240 240 ALA C C 13 178.1500 0.05 . 1 . . . . . . . . 5853 1 1084 . 1 1 240 240 ALA CB C 13 18.6950 0.1 . 1 . . . . . . . . 5853 1 1085 . 1 1 241 241 LEU H H 1 7.7750 0.01 . 1 . . . . . . . . 5853 1 1086 . 1 1 241 241 LEU N N 15 115.8090 0.02 . 1 . . . . . . . . 5853 1 1087 . 1 1 241 241 LEU CA C 13 55.6970 0.1 . 1 . . . . . . . . 5853 1 1088 . 1 1 241 241 LEU C C 13 177.2130 0.05 . 1 . . . . . . . . 5853 1 1089 . 1 1 241 241 LEU CB C 13 43.0340 0.1 . 1 . . . . . . . . 5853 1 1090 . 1 1 242 242 SER H H 1 7.8360 0.01 . 1 . . . . . . . . 5853 1 1091 . 1 1 242 242 SER N N 15 114.7100 0.02 . 1 . . . . . . . . 5853 1 1092 . 1 1 242 242 SER CA C 13 58.7440 0.1 . 1 . . . . . . . . 5853 1 1093 . 1 1 242 242 SER C C 13 173.3450 0.05 . 1 . . . . . . . . 5853 1 1094 . 1 1 242 242 SER CB C 13 65.8190 0.1 . 1 . . . . . . . . 5853 1 1095 . 1 1 243 243 ASP H H 1 8.6530 0.01 . 1 . . . . . . . . 5853 1 1096 . 1 1 243 243 ASP N N 15 121.6200 0.02 . 1 . . . . . . . . 5853 1 1097 . 1 1 243 243 ASP CA C 13 53.8220 0.1 . 1 . . . . . . . . 5853 1 1098 . 1 1 243 243 ASP C C 13 177.5060 0.05 . 1 . . . . . . . . 5853 1 1099 . 1 1 243 243 ASP CB C 13 42.2570 0.1 . 1 . . . . . . . . 5853 1 1100 . 1 1 244 244 GLY H H 1 8.6734 0.01 . 1 . . . . . . . . 5853 1 1101 . 1 1 244 244 GLY N N 15 113.0406 0.02 . 1 . . . . . . . . 5853 1 1102 . 1 1 244 244 GLY CA C 13 46.9070 0.1 . 1 . . . . . . . . 5853 1 1103 . 1 1 244 244 GLY C C 13 175.5720 0.05 . 1 . . . . . . . . 5853 1 1104 . 1 1 245 245 GLY H H 1 8.1160 0.01 . 1 . . . . . . . . 5853 1 1105 . 1 1 245 245 GLY N N 15 106.3100 0.02 . 1 . . . . . . . . 5853 1 1106 . 1 1 245 245 GLY CA C 13 45.5010 0.1 . 1 . . . . . . . . 5853 1 1107 . 1 1 245 245 GLY C C 13 173.3450 0.05 . 1 . . . . . . . . 5853 1 1108 . 1 1 246 246 LYS H H 1 7.3720 0.01 . 1 . . . . . . . . 5853 1 1109 . 1 1 246 246 LYS N N 15 117.3560 0.02 . 1 . . . . . . . . 5853 1 1110 . 1 1 246 246 LYS CA C 13 55.3450 0.1 . 1 . . . . . . . . 5853 1 1111 . 1 1 246 246 LYS C C 13 175.1030 0.05 . 1 . . . . . . . . 5853 1 1112 . 1 1 246 246 LYS CB C 13 35.2660 0.1 . 1 . . . . . . . . 5853 1 1113 . 1 1 247 247 LEU H H 1 9.2390 0.01 . 1 . . . . . . . . 5853 1 1114 . 1 1 247 247 LEU N N 15 124.7570 0.02 . 1 . . . . . . . . 5853 1 1115 . 1 1 247 247 LEU CA C 13 54.4080 0.1 . 1 . . . . . . . . 5853 1 1116 . 1 1 247 247 LEU C C 13 176.7440 0.05 . 1 . . . . . . . . 5853 1 1117 . 1 1 247 247 LEU CB C 13 44.3290 0.1 . 1 . . . . . . . . 5853 1 1118 . 1 1 248 248 TYR H H 1 9.6023 0.01 . 1 . . . . . . . . 5853 1 1119 . 1 1 248 248 TYR N N 15 125.0559 0.02 . 1 . . . . . . . . 5853 1 1120 . 1 1 248 248 TYR CA C 13 57.3380 0.1 . 1 . . . . . . . . 5853 1 1121 . 1 1 248 248 TYR C C 13 177.6820 0.05 . 1 . . . . . . . . 5853 1 1122 . 1 1 248 248 TYR CB C 13 39.4090 0.1 . 1 . . . . . . . . 5853 1 1123 . 1 1 249 249 ARG H H 1 7.9820 0.01 . 1 . . . . . . . . 5853 1 1124 . 1 1 249 249 ARG N N 15 125.3790 0.02 . 1 . . . . . . . . 5853 1 1125 . 1 1 249 249 ARG CA C 13 60.8530 0.1 . 1 . . . . . . . . 5853 1 1126 . 1 1 249 249 ARG C C 13 177.6820 0.05 . 1 . . . . . . . . 5853 1 1127 . 1 1 249 249 ARG CB C 13 30.6060 0.1 . 1 . . . . . . . . 5853 1 1128 . 1 1 250 250 THR H H 1 7.1760 0.01 . 1 . . . . . . . . 5853 1 1129 . 1 1 250 250 THR N N 15 107.2210 0.02 . 1 . . . . . . . . 5853 1 1130 . 1 1 250 250 THR CA C 13 64.7210 0.1 . 1 . . . . . . . . 5853 1 1131 . 1 1 250 250 THR C C 13 176.1580 0.05 . 1 . . . . . . . . 5853 1 1132 . 1 1 250 250 THR CB C 13 68.6680 0.1 . 1 . . . . . . . . 5853 1 1133 . 1 1 251 251 ASP H H 1 7.1150 0.01 . 1 . . . . . . . . 5853 1 1134 . 1 1 251 251 ASP N N 15 121.0560 0.02 . 1 . . . . . . . . 5853 1 1135 . 1 1 251 251 ASP CA C 13 57.2200 0.1 . 1 . . . . . . . . 5853 1 1136 . 1 1 251 251 ASP C C 13 177.0960 0.05 . 1 . . . . . . . . 5853 1 1137 . 1 1 251 251 ASP CB C 13 41.9980 0.1 . 1 . . . . . . . . 5853 1 1138 . 1 1 252 252 LEU H H 1 7.5550 0.01 . 1 . . . . . . . . 5853 1 1139 . 1 1 252 252 LEU N N 15 117.2400 0.02 . 1 . . . . . . . . 5853 1 1140 . 1 1 252 252 LEU CA C 13 56.8690 0.1 . 1 . . . . . . . . 5853 1 1141 . 1 1 252 252 LEU C C 13 179.0880 0.05 . 1 . . . . . . . . 5853 1 1142 . 1 1 252 252 LEU CB C 13 42.2570 0.1 . 1 . . . . . . . . 5853 1 1143 . 1 1 253 253 ALA H H 1 8.3310 0.01 . 1 . . . . . . . . 5853 1 1144 . 1 1 253 253 ALA N N 15 122.8229 0.02 . 1 . . . . . . . . 5853 1 1145 . 1 1 253 253 ALA CA C 13 54.6420 0.1 . 1 . . . . . . . . 5853 1 1146 . 1 1 253 253 ALA C C 13 179.0880 0.05 . 1 . . . . . . . . 5853 1 1147 . 1 1 253 253 ALA CB C 13 18.1770 0.1 . 1 . . . . . . . . 5853 1 1148 . 1 1 254 254 LEU H H 1 7.1030 0.01 . 1 . . . . . . . . 5853 1 1149 . 1 1 254 254 LEU N N 15 115.7070 0.02 . 1 . . . . . . . . 5853 1 1150 . 1 1 254 254 LEU CA C 13 57.4550 0.1 . 1 . . . . . . . . 5853 1 1151 . 1 1 254 254 LEU C C 13 178.0330 0.05 . 1 . . . . . . . . 5853 1 1152 . 1 1 254 254 LEU CB C 13 42.7750 0.1 . 1 . . . . . . . . 5853 1 1153 . 1 1 255 255 ILE H H 1 6.8830 0.01 . 1 . . . . . . . . 5853 1 1154 . 1 1 255 255 ILE N N 15 112.8310 0.02 . 1 . . . . . . . . 5853 1 1155 . 1 1 255 255 ILE CA C 13 61.6740 0.1 . 1 . . . . . . . . 5853 1 1156 . 1 1 255 255 ILE C C 13 176.0410 0.05 . 1 . . . . . . . . 5853 1 1157 . 1 1 255 255 ILE CB C 13 39.4090 0.1 . 1 . . . . . . . . 5853 1 1158 . 1 1 256 256 LEU H H 1 7.4330 0.01 . 1 . . . . . . . . 5853 1 1159 . 1 1 256 256 LEU N N 15 114.5360 0.02 . 1 . . . . . . . . 5853 1 1160 . 1 1 256 256 LEU CA C 13 55.2280 0.1 . 1 . . . . . . . . 5853 1 1161 . 1 1 256 256 LEU C C 13 176.0410 0.05 . 1 . . . . . . . . 5853 1 1162 . 1 1 256 256 LEU CB C 13 45.3640 0.1 . 1 . . . . . . . . 5853 1 1163 . 1 1 257 257 SER H H 1 7.9330 0.01 . 1 . . . . . . . . 5853 1 1164 . 1 1 257 257 SER N N 15 113.9150 0.02 . 1 . . . . . . . . 5853 1 1165 . 1 1 257 257 SER CA C 13 56.4000 0.1 . 1 . . . . . . . . 5853 1 1166 . 1 1 257 257 SER C C 13 174.6340 0.05 . 1 . . . . . . . . 5853 1 1167 . 1 1 257 257 SER CB C 13 65.5600 0.1 . 1 . . . . . . . . 5853 1 1168 . 1 1 258 258 ALA H H 1 8.9100 0.01 . 1 . . . . . . . . 5853 1 1169 . 1 1 258 258 ALA N N 15 128.3280 0.02 . 1 . . . . . . . . 5853 1 1170 . 1 1 258 258 ALA CA C 13 52.2980 0.1 . 1 . . . . . . . . 5853 1 1171 . 1 1 258 258 ALA C C 13 178.0330 0.05 . 1 . . . . . . . . 5853 1 1172 . 1 1 258 258 ALA CB C 13 19.7310 0.1 . 1 . . . . . . . . 5853 1 1173 . 1 1 259 259 GLY H H 1 8.3360 0.01 . 1 . . . . . . . . 5853 1 1174 . 1 1 259 259 GLY N N 15 107.7270 0.02 . 1 . . . . . . . . 5853 1 1175 . 1 1 259 259 GLY CA C 13 45.5010 0.1 . 1 . . . . . . . . 5853 1 1176 . 1 1 259 259 GLY C C 13 173.9310 0.05 . 1 . . . . . . . . 5853 1 1177 . 1 1 260 260 ASP H H 1 8.4201 0.01 . 1 . . . . . . . . 5853 1 1178 . 1 1 260 260 ASP N N 15 121.4529 0.02 . 1 . . . . . . . . 5853 1 1179 . 1 1 260 260 ASP CA C 13 54.6420 0.1 . 1 . . . . . . . . 5853 1 1180 . 1 1 260 260 ASP C C 13 175.3380 0.05 . 1 . . . . . . . . 5853 1 1181 . 1 1 260 260 ASP CB C 13 41.7390 0.1 . 1 . . . . . . . . 5853 1 1182 . 1 1 261 261 ASN H H 1 8.0070 0.01 . 1 . . . . . . . . 5853 1 1183 . 1 1 261 261 ASN N N 15 124.5550 0.02 . 1 . . . . . . . . 5853 1 1184 . 1 1 261 261 ASN CA C 13 55.2030 0.1 . 1 . . . . . . . . 5853 1 1185 . 1 1 261 261 ASN C C 13 179.4750 0.05 . 1 . . . . . . . . 5853 1 1186 . 1 1 261 261 ASN CB C 13 41.2273 0.1 . 1 . . . . . . . . 5853 1 stop_ save_