data_7292 save_study_list _Study_list.Sf_category study_list _Study_list.Sf_framecode study_list _Study_list.Entry_ID 7292 _Study_list.ID 1 loop_ _Study.ID _Study.Name _Study.Type _Study.Details _Study.Entry_ID _Study.Study_list_ID 1 'ALP folding by asp' 'Structure analysis' 'Investigation of folding of internal part of ALP. Structure induced by aspartic acid.' 7292 1 stop_ save_ ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 7292 _Entry.Title ; Backbone assignment of internal interaction site of ALP ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2006-09-08 _Entry.Accession_date 2006-09-08 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _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 Nanna Alho . . . 7292 2 Tuula Klaavuniemi . . . 7292 3 Jari Ylanne . . . 7292 4 Perttu Permi . . . 7292 5 Sampo Mattila . . . 7292 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 7292 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 484 7292 '15N chemical shifts' 147 7292 '1H chemical shifts' 147 7292 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2009-08-31 2006-09-08 update BMRB 'complete entry citation' 7292 1 . . 2007-08-22 2006-09-08 original author 'original release' 7292 stop_ save_ ############### # Citations # ############### save_citation1 _Citation.Sf_category citations _Citation.Sf_framecode citation1 _Citation.Entry_ID 7292 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 19636834 _Citation.Full_citation . _Citation.Title 'Backbone NMR assignment of the internal interaction site of ALP' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full . _Citation.Journal_volume 1 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 85 _Citation.Page_last 87 _Citation.Year 2007 _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 Nanna Alho . . . 7292 1 2 Tuula Klaavuniemi . . . 7292 1 3 Jari Ylanne . . . 7292 1 4 Perttu Permi . . . 7292 1 5 Sampo Mattila . . . 7292 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 7292 _Assembly.ID 1 _Assembly.Name 'internal interaction site of ALP' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites no _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state 'not reported' _Assembly.Molecular_mass 18265 _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 ALP 1 $ALP . . yes 'partially unfolded' no no . . . 7292 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_ALP _Entity.Sf_category entity _Entity.Sf_framecode ALP _Entity.Entry_ID 7292 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name protein _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 ; GAMGSEPQDGNYFEHKHNIR PKPFVIPGRSSGCSTPSGID CGSGRSTPSSVSTVSTICPG DLKVAAKLAPNIPLEMELPG VKIVHAQFNTPMQLYSDDNI METLQGQVSTALGETPLMSE PTASVPPESDVYRMLHDNRN EPTQPRQSGSFRVLQGMVDD GSDDRPAGTRS ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 171 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not reported' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no DBJ BAD96686 . "PDZ and LIM domain 3 variant [Homo sapiens]" . . . . . 98.83 364 98.82 99.41 3.90e-115 . . . . 7292 1 2 no DBJ BAG36063 . "unnamed protein product [Homo sapiens]" . . . . . 98.83 364 98.82 99.41 3.90e-115 . . . . 7292 1 3 no GB AAB96665 . "actinin-associated LIM protein [Homo sapiens]" . . . . . 98.83 364 98.22 99.41 1.26e-114 . . . . 7292 1 4 no GB AAC16670 . "alpha-actinin-2 associated LIM protein [Homo sapiens]" . . . . . 98.83 364 98.22 98.82 1.95e-114 . . . . 7292 1 5 no GB EAX04641 . "PDZ and LIM domain 3, isoform CRA_d [Homo sapiens]" . . . . . 98.83 364 98.82 99.41 3.90e-115 . . . . 7292 1 6 no GB EHH26344 . "hypothetical protein EGK_16292 [Macaca mulatta]" . . . . . 98.83 364 97.63 98.82 7.53e-114 . . . . 7292 1 7 no GB EHH54109 . "hypothetical protein EGM_14870, partial [Macaca fascicularis]" . . . . . 98.83 332 97.63 98.82 1.03e-114 . . . . 7292 1 8 no REF NP_055291 . "PDZ and LIM domain protein 3 isoform a [Homo sapiens]" . . . . . 98.83 364 98.82 99.41 3.90e-115 . . . . 7292 1 9 no REF XP_002815395 . "PREDICTED: LOW QUALITY PROTEIN: PDZ and LIM domain protein 3 [Pongo abelii]" . . . . . 98.83 364 97.63 98.82 1.02e-113 . . . . 7292 1 10 no REF XP_003823529 . "PREDICTED: PDZ and LIM domain protein 3 isoform X1 [Pan paniscus]" . . . . . 98.83 364 98.82 99.41 4.75e-115 . . . . 7292 1 11 no REF XP_003899472 . "PREDICTED: PDZ and LIM domain protein 3 isoform X1 [Papio anubis]" . . . . . 98.83 364 97.63 98.82 8.39e-114 . . . . 7292 1 12 no REF XP_004040756 . "PREDICTED: PDZ and LIM domain protein 3 isoform 2 [Gorilla gorilla gorilla]" . . . . . 98.83 364 98.82 99.41 3.90e-115 . . . . 7292 1 13 no SP Q53GG5 . "RecName: Full=PDZ and LIM domain protein 3; AltName: Full=Actinin-associated LIM protein; AltName: Full=Alpha-actinin-2-associa" . . . . . 98.83 364 98.82 99.41 3.90e-115 . . . . 7292 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 1 103 GLY . 7292 1 2 104 ALA . 7292 1 3 105 MET . 7292 1 4 106 GLY . 7292 1 5 107 SER . 7292 1 6 108 GLU . 7292 1 7 109 PRO . 7292 1 8 110 GLN . 7292 1 9 111 ASP . 7292 1 10 112 GLY . 7292 1 11 113 ASN . 7292 1 12 114 TYR . 7292 1 13 115 PHE . 7292 1 14 116 GLU . 7292 1 15 117 HIS . 7292 1 16 118 LYS . 7292 1 17 119 HIS . 7292 1 18 120 ASN . 7292 1 19 121 ILE . 7292 1 20 122 ARG . 7292 1 21 123 PRO . 7292 1 22 124 LYS . 7292 1 23 125 PRO . 7292 1 24 126 PHE . 7292 1 25 127 VAL . 7292 1 26 128 ILE . 7292 1 27 129 PRO . 7292 1 28 130 GLY . 7292 1 29 131 ARG . 7292 1 30 132 SER . 7292 1 31 133 SER . 7292 1 32 134 GLY . 7292 1 33 135 CYS . 7292 1 34 136 SER . 7292 1 35 137 THR . 7292 1 36 138 PRO . 7292 1 37 139 SER . 7292 1 38 140 GLY . 7292 1 39 141 ILE . 7292 1 40 142 ASP . 7292 1 41 143 CYS . 7292 1 42 144 GLY . 7292 1 43 145 SER . 7292 1 44 146 GLY . 7292 1 45 147 ARG . 7292 1 46 148 SER . 7292 1 47 149 THR . 7292 1 48 150 PRO . 7292 1 49 151 SER . 7292 1 50 152 SER . 7292 1 51 153 VAL . 7292 1 52 154 SER . 7292 1 53 155 THR . 7292 1 54 156 VAL . 7292 1 55 157 SER . 7292 1 56 158 THR . 7292 1 57 159 ILE . 7292 1 58 160 CYS . 7292 1 59 161 PRO . 7292 1 60 162 GLY . 7292 1 61 163 ASP . 7292 1 62 164 LEU . 7292 1 63 165 LYS . 7292 1 64 166 VAL . 7292 1 65 167 ALA . 7292 1 66 168 ALA . 7292 1 67 169 LYS . 7292 1 68 170 LEU . 7292 1 69 171 ALA . 7292 1 70 172 PRO . 7292 1 71 173 ASN . 7292 1 72 174 ILE . 7292 1 73 175 PRO . 7292 1 74 176 LEU . 7292 1 75 177 GLU . 7292 1 76 178 MET . 7292 1 77 179 GLU . 7292 1 78 180 LEU . 7292 1 79 181 PRO . 7292 1 80 182 GLY . 7292 1 81 183 VAL . 7292 1 82 184 LYS . 7292 1 83 185 ILE . 7292 1 84 186 VAL . 7292 1 85 187 HIS . 7292 1 86 188 ALA . 7292 1 87 189 GLN . 7292 1 88 190 PHE . 7292 1 89 191 ASN . 7292 1 90 192 THR . 7292 1 91 193 PRO . 7292 1 92 194 MET . 7292 1 93 195 GLN . 7292 1 94 196 LEU . 7292 1 95 197 TYR . 7292 1 96 198 SER . 7292 1 97 199 ASP . 7292 1 98 200 ASP . 7292 1 99 201 ASN . 7292 1 100 202 ILE . 7292 1 101 203 MET . 7292 1 102 204 GLU . 7292 1 103 205 THR . 7292 1 104 206 LEU . 7292 1 105 207 GLN . 7292 1 106 208 GLY . 7292 1 107 209 GLN . 7292 1 108 210 VAL . 7292 1 109 211 SER . 7292 1 110 212 THR . 7292 1 111 213 ALA . 7292 1 112 214 LEU . 7292 1 113 215 GLY . 7292 1 114 216 GLU . 7292 1 115 217 THR . 7292 1 116 218 PRO . 7292 1 117 219 LEU . 7292 1 118 220 MET . 7292 1 119 221 SER . 7292 1 120 222 GLU . 7292 1 121 223 PRO . 7292 1 122 224 THR . 7292 1 123 225 ALA . 7292 1 124 226 SER . 7292 1 125 227 VAL . 7292 1 126 228 PRO . 7292 1 127 229 PRO . 7292 1 128 230 GLU . 7292 1 129 231 SER . 7292 1 130 232 ASP . 7292 1 131 233 VAL . 7292 1 132 234 TYR . 7292 1 133 235 ARG . 7292 1 134 236 MET . 7292 1 135 237 LEU . 7292 1 136 238 HIS . 7292 1 137 239 ASP . 7292 1 138 240 ASN . 7292 1 139 241 ARG . 7292 1 140 242 ASN . 7292 1 141 243 GLU . 7292 1 142 244 PRO . 7292 1 143 245 THR . 7292 1 144 246 GLN . 7292 1 145 247 PRO . 7292 1 146 248 ARG . 7292 1 147 249 GLN . 7292 1 148 250 SER . 7292 1 149 251 GLY . 7292 1 150 252 SER . 7292 1 151 253 PHE . 7292 1 152 254 ARG . 7292 1 153 255 VAL . 7292 1 154 256 LEU . 7292 1 155 257 GLN . 7292 1 156 258 GLY . 7292 1 157 259 MET . 7292 1 158 260 VAL . 7292 1 159 261 ASP . 7292 1 160 262 ASP . 7292 1 161 263 GLY . 7292 1 162 264 SER . 7292 1 163 265 ASP . 7292 1 164 266 ASP . 7292 1 165 267 ARG . 7292 1 166 268 PRO . 7292 1 167 269 ALA . 7292 1 168 270 GLY . 7292 1 169 271 THR . 7292 1 170 272 ARG . 7292 1 171 273 SER . 7292 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 . GLY 1 1 7292 1 . ALA 2 2 7292 1 . MET 3 3 7292 1 . GLY 4 4 7292 1 . SER 5 5 7292 1 . GLU 6 6 7292 1 . PRO 7 7 7292 1 . GLN 8 8 7292 1 . ASP 9 9 7292 1 . GLY 10 10 7292 1 . ASN 11 11 7292 1 . TYR 12 12 7292 1 . PHE 13 13 7292 1 . GLU 14 14 7292 1 . HIS 15 15 7292 1 . LYS 16 16 7292 1 . HIS 17 17 7292 1 . ASN 18 18 7292 1 . ILE 19 19 7292 1 . ARG 20 20 7292 1 . PRO 21 21 7292 1 . LYS 22 22 7292 1 . PRO 23 23 7292 1 . PHE 24 24 7292 1 . VAL 25 25 7292 1 . ILE 26 26 7292 1 . PRO 27 27 7292 1 . GLY 28 28 7292 1 . ARG 29 29 7292 1 . SER 30 30 7292 1 . SER 31 31 7292 1 . GLY 32 32 7292 1 . CYS 33 33 7292 1 . SER 34 34 7292 1 . THR 35 35 7292 1 . PRO 36 36 7292 1 . SER 37 37 7292 1 . GLY 38 38 7292 1 . ILE 39 39 7292 1 . ASP 40 40 7292 1 . CYS 41 41 7292 1 . GLY 42 42 7292 1 . SER 43 43 7292 1 . GLY 44 44 7292 1 . ARG 45 45 7292 1 . SER 46 46 7292 1 . THR 47 47 7292 1 . PRO 48 48 7292 1 . SER 49 49 7292 1 . SER 50 50 7292 1 . VAL 51 51 7292 1 . SER 52 52 7292 1 . THR 53 53 7292 1 . VAL 54 54 7292 1 . SER 55 55 7292 1 . THR 56 56 7292 1 . ILE 57 57 7292 1 . CYS 58 58 7292 1 . PRO 59 59 7292 1 . GLY 60 60 7292 1 . ASP 61 61 7292 1 . LEU 62 62 7292 1 . LYS 63 63 7292 1 . VAL 64 64 7292 1 . ALA 65 65 7292 1 . ALA 66 66 7292 1 . LYS 67 67 7292 1 . LEU 68 68 7292 1 . ALA 69 69 7292 1 . PRO 70 70 7292 1 . ASN 71 71 7292 1 . ILE 72 72 7292 1 . PRO 73 73 7292 1 . LEU 74 74 7292 1 . GLU 75 75 7292 1 . MET 76 76 7292 1 . GLU 77 77 7292 1 . LEU 78 78 7292 1 . PRO 79 79 7292 1 . GLY 80 80 7292 1 . VAL 81 81 7292 1 . LYS 82 82 7292 1 . ILE 83 83 7292 1 . VAL 84 84 7292 1 . HIS 85 85 7292 1 . ALA 86 86 7292 1 . GLN 87 87 7292 1 . PHE 88 88 7292 1 . ASN 89 89 7292 1 . THR 90 90 7292 1 . PRO 91 91 7292 1 . MET 92 92 7292 1 . GLN 93 93 7292 1 . LEU 94 94 7292 1 . TYR 95 95 7292 1 . SER 96 96 7292 1 . ASP 97 97 7292 1 . ASP 98 98 7292 1 . ASN 99 99 7292 1 . ILE 100 100 7292 1 . MET 101 101 7292 1 . GLU 102 102 7292 1 . THR 103 103 7292 1 . LEU 104 104 7292 1 . GLN 105 105 7292 1 . GLY 106 106 7292 1 . GLN 107 107 7292 1 . VAL 108 108 7292 1 . SER 109 109 7292 1 . THR 110 110 7292 1 . ALA 111 111 7292 1 . LEU 112 112 7292 1 . GLY 113 113 7292 1 . GLU 114 114 7292 1 . THR 115 115 7292 1 . PRO 116 116 7292 1 . LEU 117 117 7292 1 . MET 118 118 7292 1 . SER 119 119 7292 1 . GLU 120 120 7292 1 . PRO 121 121 7292 1 . THR 122 122 7292 1 . ALA 123 123 7292 1 . SER 124 124 7292 1 . VAL 125 125 7292 1 . PRO 126 126 7292 1 . PRO 127 127 7292 1 . GLU 128 128 7292 1 . SER 129 129 7292 1 . ASP 130 130 7292 1 . VAL 131 131 7292 1 . TYR 132 132 7292 1 . ARG 133 133 7292 1 . MET 134 134 7292 1 . LEU 135 135 7292 1 . HIS 136 136 7292 1 . ASP 137 137 7292 1 . ASN 138 138 7292 1 . ARG 139 139 7292 1 . ASN 140 140 7292 1 . GLU 141 141 7292 1 . PRO 142 142 7292 1 . THR 143 143 7292 1 . GLN 144 144 7292 1 . PRO 145 145 7292 1 . ARG 146 146 7292 1 . GLN 147 147 7292 1 . SER 148 148 7292 1 . GLY 149 149 7292 1 . SER 150 150 7292 1 . PHE 151 151 7292 1 . ARG 152 152 7292 1 . VAL 153 153 7292 1 . LEU 154 154 7292 1 . GLN 155 155 7292 1 . GLY 156 156 7292 1 . MET 157 157 7292 1 . VAL 158 158 7292 1 . ASP 159 159 7292 1 . ASP 160 160 7292 1 . GLY 161 161 7292 1 . SER 162 162 7292 1 . ASP 163 163 7292 1 . ASP 164 164 7292 1 . ARG 165 165 7292 1 . PRO 166 166 7292 1 . ALA 167 167 7292 1 . GLY 168 168 7292 1 . THR 169 169 7292 1 . ARG 170 170 7292 1 . SER 171 171 7292 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 7292 _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 $ALP . 9606 . no . Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 7292 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 7292 _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 $ALP . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 7292 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_ALP_asp _Sample.Sf_category sample _Sample.Sf_framecode ALP_asp _Sample.Entry_ID 7292 _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 'protein ALP' '[U-13C; U-15N]' . . 1 $ALP . . 15 . . mM . . . . 7292 1 2 'amino acid aspartic acid' . . . . . . . 40 . . mM . . . . 7292 1 3 'buffer TRIS' . . . . . . . 20 . . mM . . . . 7292 1 4 'buffer NaCl' . . . . . . . 150 . . mM 5 . . . 7292 1 stop_ save_ ####################### # Sample conditions # ####################### save_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode conditions_1 _Sample_condition_list.Entry_ID 7292 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 150 5 mM 7292 1 pH 4 0.2 pH 7292 1 temperature 300 0.01 K 7292 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_800MHz _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 800MHz _NMR_spectrometer.Entry_ID 7292 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Innova _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ ############################# # NMR applied experiments # ############################# save_NMR_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode NMR_experiment_list _Experiment_list.Entry_ID 7292 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 15N-HSQC no . . . . . . . . . . 1 $ALP_asp . . . 1 $conditions_1 . . . 1 $800MHz . . . . . . . . . . . . . . . . 7292 1 2 HNCA no . . . . . . . . . . 1 $ALP_asp . . . 1 $conditions_1 . . . 1 $800MHz . . . . . . . . . . . . . . . . 7292 1 3 HNCOCA no . . . . . . . . . . 1 $ALP_asp . . . 1 $conditions_1 . . . 1 $800MHz . . . . . . . . . . . . . . . . 7292 1 4 HNCO no . . . . . . . . . . 1 $ALP_asp . . . 1 $conditions_1 . . . 1 $800MHz . . . . . . . . . . . . . . . . 7292 1 5 HNCACO no . . . . . . . . . . 1 $ALP_asp . . . 1 $conditions_1 . . . 1 $800MHz . . . . . . . . . . . . . . . . 7292 1 6 HNCACB no . . . . . . . . . . 1 $ALP_asp . . . 1 $conditions_1 . . . 1 $800MHz . . . . . . . . . . . . . . . . 7292 1 7 CBCACONH no . . . . . . . . . . 1 $ALP_asp . . . 1 $conditions_1 . . . 1 $800MHz . . . . . . . . . . . . . . . . 7292 1 8 iHNCA no . . . . . . . . . . 1 $ALP_asp . . . 1 $conditions_1 . . . 1 $800MHz . . . . . . . . . . . . . . . . 7292 1 stop_ save_ save_15N-HSQC _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 15N-HSQC _NMR_spec_expt.Entry_ID 7292 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name 15N-HSQC _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $800MHz _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_HNCA _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode HNCA _NMR_spec_expt.Entry_ID 7292 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name HNCA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $800MHz _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_HNCOCA _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode HNCOCA _NMR_spec_expt.Entry_ID 7292 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name HNCOCA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $800MHz _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_HNCO _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode HNCO _NMR_spec_expt.Entry_ID 7292 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name HNCO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $800MHz _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_HNCACO _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode HNCACO _NMR_spec_expt.Entry_ID 7292 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name HNCACO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $800MHz _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_HNCACB _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode HNCACB _NMR_spec_expt.Entry_ID 7292 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name HNCACB _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $800MHz _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_CBCACONH _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode CBCACONH _NMR_spec_expt.Entry_ID 7292 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name CBCACONH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $800MHz _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_iHNCA _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode iHNCA _NMR_spec_expt.Entry_ID 7292 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name iHNCA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $800MHz _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_referencing _Chem_shift_reference.Entry_ID 7292 _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 water protons . . . . ppm . internal indirect 0.251449530 . . . . . . . . . 7292 1 H 1 water protons . . . . ppm 4.70 internal direct 1.0 . . . . . . . . . 7292 1 N 15 water protons . . . . ppm . internal indirect 0.101329118 . . . . . . . . . 7292 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_alp_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode alp_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 7292 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing _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 $ALP_asp isotropic 7292 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 2 2 ALA C C 13 176.3 0.008 . 1 . . . . 104 ALA C . 7292 1 2 . 1 1 2 2 ALA CA C 13 52.17 0.0005 . 1 . . . . 104 ALA CA . 7292 1 3 . 1 1 2 2 ALA CB C 13 18.92 0.055 . 1 . . . . 104 ALA CB . 7292 1 4 . 1 1 3 3 MET H H 1 8.45 0.0007 . 1 . . . . 105 MET H . 7292 1 5 . 1 1 3 3 MET C C 13 175.2 0.0073 . 1 . . . . 105 MET C . 7292 1 6 . 1 1 3 3 MET CA C 13 55.25 0.0447 . 1 . . . . 105 MET CA . 7292 1 7 . 1 1 3 3 MET CB C 13 32.25 0.0305 . 1 . . . . 105 MET CB . 7292 1 8 . 1 1 3 3 MET N N 15 119 0.006 . 1 . . . . 105 MET N . 7292 1 9 . 1 1 4 4 GLY H H 1 8.344 0.0003 . 1 . . . . 106 GLY H . 7292 1 10 . 1 1 4 4 GLY C C 13 172.4 0.0051 . 1 . . . . 106 GLY C . 7292 1 11 . 1 1 4 4 GLY CA C 13 44.9 0.0243 . 1 . . . . 106 GLY CA . 7292 1 12 . 1 1 4 4 GLY N N 15 109.8 0.0054 . 1 . . . . 106 GLY N . 7292 1 13 . 1 1 5 5 SER H H 1 8.047 0.0009 . 1 . . . . 107 SER H . 7292 1 14 . 1 1 5 5 SER C C 13 172.6 0.0034 . 1 . . . . 107 SER C . 7292 1 15 . 1 1 5 5 SER CA C 13 57.69 0.0241 . 1 . . . . 107 SER CA . 7292 1 16 . 1 1 5 5 SER CB C 13 63.57 0.0161 . 1 . . . . 107 SER CB . 7292 1 17 . 1 1 5 5 SER N N 15 114.5 0.0185 . 1 . . . . 107 SER N . 7292 1 18 . 1 1 6 6 GLU H H 1 8.333 0 . 1 . . . . 108 GLU H . 7292 1 19 . 1 1 6 6 GLU C C 13 173 0 . 1 . . . . 108 GLU C . 7292 1 20 . 1 1 6 6 GLU CA C 13 54.15 0 . 1 . . . . 108 GLU CA . 7292 1 21 . 1 1 6 6 GLU CB C 13 29.02 0 . 1 . . . . 108 GLU CB . 7292 1 22 . 1 1 6 6 GLU N N 15 122.7 0.0063 . 1 . . . . 108 GLU N . 7292 1 23 . 1 1 7 7 PRO C C 13 175.5 0.006 . 1 . . . . 109 PRO C . 7292 1 24 . 1 1 7 7 PRO CA C 13 62.88 0.033 . 1 . . . . 109 PRO CA . 7292 1 25 . 1 1 7 7 PRO CB C 13 31.61 0.032 . 1 . . . . 109 PRO CB . 7292 1 26 . 1 1 8 8 GLN H H 1 8.4 0.0007 . 1 . . . . 110 GLN H . 7292 1 27 . 1 1 8 8 GLN C C 13 174.1 0.005 . 1 . . . . 110 GLN C . 7292 1 28 . 1 1 8 8 GLN CA C 13 55.25 0.047 . 1 . . . . 110 GLN CA . 7292 1 29 . 1 1 8 8 GLN CB C 13 28.99 0.0164 . 1 . . . . 110 GLN CB . 7292 1 30 . 1 1 8 8 GLN N N 15 119.5 0.0078 . 1 . . . . 110 GLN N . 7292 1 31 . 1 1 9 9 ASP H H 1 8.15 0.0028 . 1 . . . . 111 ASP H . 7292 1 32 . 1 1 9 9 ASP C C 13 175.1 0.0036 . 1 . . . . 111 ASP C . 7292 1 33 . 1 1 9 9 ASP CA C 13 53.88 0.0135 . 1 . . . . 111 ASP CA . 7292 1 34 . 1 1 9 9 ASP CB C 13 40.92 0.0375 . 1 . . . . 111 ASP CB . 7292 1 35 . 1 1 9 9 ASP N N 15 120.1 0.0197 . 1 . . . . 111 ASP N . 7292 1 36 . 1 1 10 10 GLY H H 1 8.166 0.0005 . 1 . . . . 112 GLY H . 7292 1 37 . 1 1 10 10 GLY C C 13 172.4 0.0052 . 1 . . . . 112 GLY C . 7292 1 38 . 1 1 10 10 GLY CA C 13 45.15 0.0599 . 1 . . . . 112 GLY CA . 7292 1 39 . 1 1 10 10 GLY N N 15 107.9 0.0074 . 1 . . . . 112 GLY N . 7292 1 40 . 1 1 11 11 ASN H H 1 8.117 0.0003 . 1 . . . . 113 ASN H . 7292 1 41 . 1 1 11 11 ASN C C 13 173.4 0.0024 . 1 . . . . 113 ASN C . 7292 1 42 . 1 1 11 11 ASN CA C 13 52.7 0.0577 . 1 . . . . 113 ASN CA . 7292 1 43 . 1 1 11 11 ASN CB C 13 38.35 0.0556 . 1 . . . . 113 ASN CB . 7292 1 44 . 1 1 11 11 ASN N N 15 117.5 0.0058 . 1 . . . . 113 ASN N . 7292 1 45 . 1 1 12 12 TYR H H 1 7.891 0.0008 . 1 . . . . 114 TYR H . 7292 1 46 . 1 1 12 12 TYR C C 13 174 0.0054 . 1 . . . . 114 TYR C . 7292 1 47 . 1 1 12 12 TYR CA C 13 58.19 0.0176 . 1 . . . . 114 TYR CA . 7292 1 48 . 1 1 12 12 TYR CB C 13 38.24 0.0015 . 1 . . . . 114 TYR CB . 7292 1 49 . 1 1 12 12 TYR N N 15 119.7 0.016 . 1 . . . . 114 TYR N . 7292 1 50 . 1 1 13 13 PHE H H 1 7.845 0.0012 . 1 . . . . 115 PHE H . 7292 1 51 . 1 1 13 13 PHE C C 13 173.9 0.0041 . 1 . . . . 115 PHE C . 7292 1 52 . 1 1 13 13 PHE CA C 13 57.49 0.0281 . 1 . . . . 115 PHE CA . 7292 1 53 . 1 1 13 13 PHE CB C 13 39.15 0.0154 . 1 . . . . 115 PHE CB . 7292 1 54 . 1 1 13 13 PHE N N 15 119.7 0.0093 . 1 . . . . 115 PHE N . 7292 1 55 . 1 1 14 14 GLU H H 1 7.969 0.0015 . 1 . . . . 116 GLU H . 7292 1 56 . 1 1 14 14 GLU C C 13 174.5 0.009 . 1 . . . . 116 GLU C . 7292 1 57 . 1 1 14 14 GLU CA C 13 56.36 0.0175 . 1 . . . . 116 GLU CA . 7292 1 58 . 1 1 14 14 GLU CB C 13 29.78 0.0614 . 1 . . . . 116 GLU CB . 7292 1 59 . 1 1 14 14 GLU N N 15 120.7 0.0168 . 1 . . . . 116 GLU N . 7292 1 60 . 1 1 15 15 HIS H H 1 8.068 0.0017 . 1 . . . . 117 HIS H . 7292 1 61 . 1 1 15 15 HIS C C 13 173.7 0.0005 . 1 . . . . 117 HIS C . 7292 1 62 . 1 1 15 15 HIS CA C 13 55.67 0.0615 . 1 . . . . 117 HIS CA . 7292 1 63 . 1 1 15 15 HIS CB C 13 29.65 0.0415 . 1 . . . . 117 HIS CB . 7292 1 64 . 1 1 15 15 HIS N N 15 118.9 0.0109 . 1 . . . . 117 HIS N . 7292 1 65 . 1 1 16 16 LYS H H 1 8.044 0.0018 . 1 . . . . 118 LYS H . 7292 1 66 . 1 1 16 16 LYS C C 13 174.7 0 . 1 . . . . 118 LYS C . 7292 1 67 . 1 1 16 16 LYS CA C 13 56.12 0 . 1 . . . . 118 LYS CA . 7292 1 68 . 1 1 16 16 LYS CB C 13 32.42 0 . 1 . . . . 118 LYS CB . 7292 1 69 . 1 1 16 16 LYS N N 15 120.6 0.0167 . 1 . . . . 118 LYS N . 7292 1 70 . 1 1 18 18 ASN C C 13 173.1 0.0035 . 1 . . . . 120 ASN C . 7292 1 71 . 1 1 18 18 ASN CA C 13 52.8 0.028 . 1 . . . . 120 ASN CA . 7292 1 72 . 1 1 18 18 ASN CB C 13 38.29 0.039 . 1 . . . . 120 ASN CB . 7292 1 73 . 1 1 19 19 ILE H H 1 7.921 0.0016 . 1 . . . . 121 ILE H . 7292 1 74 . 1 1 19 19 ILE C C 13 174.3 0.0069 . 1 . . . . 121 ILE C . 7292 1 75 . 1 1 19 19 ILE CA C 13 60.51 0.0503 . 1 . . . . 121 ILE CA . 7292 1 76 . 1 1 19 19 ILE CB C 13 38.17 0.0355 . 1 . . . . 121 ILE CB . 7292 1 77 . 1 1 19 19 ILE N N 15 119.9 0.0181 . 1 . . . . 121 ILE N . 7292 1 78 . 1 1 20 20 ARG H H 1 8.222 0.002 . 1 . . . . 122 ARG H . 7292 1 79 . 1 1 20 20 ARG C C 13 172.4 0 . 1 . . . . 122 ARG C . 7292 1 80 . 1 1 20 20 ARG CA C 13 53.34 0 . 1 . . . . 122 ARG CA . 7292 1 81 . 1 1 20 20 ARG CB C 13 29.86 0 . 1 . . . . 122 ARG CB . 7292 1 82 . 1 1 20 20 ARG N N 15 125.5 0.0132 . 1 . . . . 122 ARG N . 7292 1 83 . 1 1 21 21 PRO C C 13 174.9 0 . 1 . . . . 123 PRO C . 7292 1 84 . 1 1 21 21 PRO CA C 13 62.41 0.066 . 1 . . . . 123 PRO CA . 7292 1 85 . 1 1 21 21 PRO CB C 13 31.84 0.124 . 1 . . . . 123 PRO CB . 7292 1 86 . 1 1 22 22 LYS H H 1 8.204 0.0006 . 1 . . . . 124 LYS H . 7292 1 87 . 1 1 22 22 LYS C C 13 173 0 . 1 . . . . 124 LYS C . 7292 1 88 . 1 1 22 22 LYS CA C 13 53.77 0 . 1 . . . . 124 LYS CA . 7292 1 89 . 1 1 22 22 LYS N N 15 121.8 0.0121 . 1 . . . . 124 LYS N . 7292 1 90 . 1 1 23 23 PRO C C 13 174.7 0.006 . 1 . . . . 125 PRO C . 7292 1 91 . 1 1 23 23 PRO CA C 13 62.64 0.044 . 1 . . . . 125 PRO CA . 7292 1 92 . 1 1 23 23 PRO CB C 13 31.58 0.0295 . 1 . . . . 125 PRO CB . 7292 1 93 . 1 1 24 24 PHE H H 1 8.057 0.0012 . 1 . . . . 126 PHE H . 7292 1 94 . 1 1 24 24 PHE C C 13 173.6 0.007 . 1 . . . . 126 PHE C . 7292 1 95 . 1 1 24 24 PHE CA C 13 57.09 0.0621 . 1 . . . . 126 PHE CA . 7292 1 96 . 1 1 24 24 PHE CB C 13 39.22 0.0106 . 1 . . . . 126 PHE CB . 7292 1 97 . 1 1 24 24 PHE N N 15 119.6 0.0106 . 1 . . . . 126 PHE N . 7292 1 98 . 1 1 25 25 VAL H H 1 7.795 0.0005 . 1 . . . . 127 VAL H . 7292 1 99 . 1 1 25 25 VAL C C 13 173.5 0.0033 . 1 . . . . 127 VAL C . 7292 1 100 . 1 1 25 25 VAL CA C 13 61.21 0.0229 . 1 . . . . 127 VAL CA . 7292 1 101 . 1 1 25 25 VAL CB C 13 32.85 0.0097 . 1 . . . . 127 VAL CB . 7292 1 102 . 1 1 25 25 VAL N N 15 122.5 0.0052 . 1 . . . . 127 VAL N . 7292 1 103 . 1 1 26 26 ILE H H 1 8.116 0.0008 . 1 . . . . 128 ILE H . 7292 1 104 . 1 1 26 26 ILE C C 13 172.9 0 . 1 . . . . 128 ILE C . 7292 1 105 . 1 1 26 26 ILE CA C 13 58.12 0 . 1 . . . . 128 ILE CA . 7292 1 106 . 1 1 26 26 ILE CB C 13 38.26 0 . 1 . . . . 128 ILE CB . 7292 1 107 . 1 1 26 26 ILE N N 15 126.2 0.0111 . 1 . . . . 128 ILE N . 7292 1 108 . 1 1 27 27 PRO C C 13 175.8 0.0055 . 1 . . . . 129 PRO C . 7292 1 109 . 1 1 27 27 PRO CA C 13 62.93 0.015 . 1 . . . . 129 PRO CA . 7292 1 110 . 1 1 27 27 PRO CB C 13 31.74 0.034 . 1 . . . . 129 PRO CB . 7292 1 111 . 1 1 28 28 GLY H H 1 8.275 0.0022 . 1 . . . . 130 GLY H . 7292 1 112 . 1 1 28 28 GLY C C 13 172.6 0.0114 . 1 . . . . 130 GLY C . 7292 1 113 . 1 1 28 28 GLY CA C 13 44.77 0.048 . 1 . . . . 130 GLY CA . 7292 1 114 . 1 1 28 28 GLY N N 15 108.3 0.0067 . 1 . . . . 130 GLY N . 7292 1 115 . 1 1 29 29 ARG H H 1 8.029 0.0024 . 1 . . . . 131 ARG H . 7292 1 116 . 1 1 29 29 ARG C C 13 174.9 0.0065 . 1 . . . . 131 ARG C . 7292 1 117 . 1 1 29 29 ARG CA C 13 55.51 0.091 . 1 . . . . 131 ARG CA . 7292 1 118 . 1 1 29 29 ARG CB C 13 30.53 0.0557 . 1 . . . . 131 ARG CB . 7292 1 119 . 1 1 29 29 ARG N N 15 119.5 0.003 . 1 . . . . 131 ARG N . 7292 1 120 . 1 1 30 30 SER H H 1 8.322 0.0018 . 1 . . . . 132 SER H . 7292 1 121 . 1 1 30 30 SER C C 13 173.1 0.007 . 1 . . . . 132 SER C . 7292 1 122 . 1 1 30 30 SER CA C 13 57.89 0.0901 . 1 . . . . 132 SER CA . 7292 1 123 . 1 1 30 30 SER CB C 13 63.45 0.018 . 1 . . . . 132 SER CB . 7292 1 124 . 1 1 30 30 SER N N 15 116.3 0.0158 . 1 . . . . 132 SER N . 7292 1 125 . 1 1 31 31 SER H H 1 8.263 0.0013 . 1 . . . . 133 SER H . 7292 1 126 . 1 1 31 31 SER C C 13 173.4 0 . 1 . . . . 133 SER C . 7292 1 127 . 1 1 31 31 SER CA C 13 58.22 0 . 1 . . . . 133 SER CA . 7292 1 128 . 1 1 31 31 SER CB C 13 63.48 0.0134 . 1 . . . . 133 SER CB . 7292 1 129 . 1 1 31 31 SER N N 15 116.8 0.003 . 1 . . . . 133 SER N . 7292 1 130 . 1 1 32 32 GLY H H 1 8.318 0.0026 . 1 . . . . 134 GLY H . 7292 1 131 . 1 1 32 32 GLY C C 13 172.2 0.0053 . 1 . . . . 134 GLY C . 7292 1 132 . 1 1 32 32 GLY CA C 13 44.91 0.0364 . 1 . . . . 134 GLY CA . 7292 1 133 . 1 1 32 32 GLY N N 15 109.5 0.0235 . 1 . . . . 134 GLY N . 7292 1 134 . 1 1 33 33 CYS H H 1 8.189 0.0055 . 1 . . . . 135 CYS H . 7292 1 135 . 1 1 33 33 CYS C C 13 173.2 0 . 1 . . . . 135 CYS C . 7292 1 136 . 1 1 33 33 CYS CA C 13 55.37 0 . 1 . . . . 135 CYS CA . 7292 1 137 . 1 1 33 33 CYS CB C 13 29.92 0 . 1 . . . . 135 CYS CB . 7292 1 138 . 1 1 33 33 CYS N N 15 118.3 0.0293 . 1 . . . . 135 CYS N . 7292 1 139 . 1 1 34 34 SER C C 13 172.7 0 . 1 . . . . 136 SER C . 7292 1 140 . 1 1 34 34 SER CA C 13 58.51 0 . 1 . . . . 136 SER CA . 7292 1 141 . 1 1 34 34 SER CB C 13 63.27 0.0165 . 1 . . . . 136 SER CB . 7292 1 142 . 1 1 35 35 THR H H 1 7.757 0.0012 . 1 . . . . 137 THR H . 7292 1 143 . 1 1 35 35 THR C C 13 172.2 0 . 1 . . . . 137 THR C . 7292 1 144 . 1 1 35 35 THR CA C 13 59.02 0 . 1 . . . . 137 THR CA . 7292 1 145 . 1 1 35 35 THR CB C 13 68.89 0 . 1 . . . . 137 THR CB . 7292 1 146 . 1 1 35 35 THR N N 15 113.9 0.0086 . 1 . . . . 137 THR N . 7292 1 147 . 1 1 37 37 SER C C 13 173.7 0 . 1 . . . . 139 SER C . 7292 1 148 . 1 1 37 37 SER CA C 13 58.26 0.0125 . 1 . . . . 139 SER CA . 7292 1 149 . 1 1 37 37 SER CB C 13 63.42 0.026 . 1 . . . . 139 SER CB . 7292 1 150 . 1 1 38 38 GLY H H 1 8.371 0.0043 . 1 . . . . 140 GLY H . 7292 1 151 . 1 1 38 38 GLY C C 13 172.5 0.0078 . 1 . . . . 140 GLY C . 7292 1 152 . 1 1 38 38 GLY CA C 13 45.03 0.0263 . 1 . . . . 140 GLY CA . 7292 1 153 . 1 1 38 38 GLY N N 15 109.9 0.0248 . 1 . . . . 140 GLY N . 7292 1 154 . 1 1 39 39 ILE H H 1 7.786 0.0005 . 1 . . . . 141 ILE H . 7292 1 155 . 1 1 39 39 ILE C C 13 174.3 0.008 . 1 . . . . 141 ILE C . 7292 1 156 . 1 1 39 39 ILE CA C 13 60.68 0.0305 . 1 . . . . 141 ILE CA . 7292 1 157 . 1 1 39 39 ILE CB C 13 38.5 0.0045 . 1 . . . . 141 ILE CB . 7292 1 158 . 1 1 39 39 ILE N N 15 118.5 0.0071 . 1 . . . . 141 ILE N . 7292 1 159 . 1 1 40 40 ASP H H 1 8.303 0.002 . 1 . . . . 142 ASP H . 7292 1 160 . 1 1 40 40 ASP C C 13 174.7 0.0035 . 1 . . . . 142 ASP C . 7292 1 161 . 1 1 40 40 ASP CA C 13 53.83 0.0645 . 1 . . . . 142 ASP CA . 7292 1 162 . 1 1 40 40 ASP CB C 13 40.79 0.0173 . 1 . . . . 142 ASP CB . 7292 1 163 . 1 1 40 40 ASP N N 15 123.1 0.0283 . 1 . . . . 142 ASP N . 7292 1 164 . 1 1 41 41 CYS H H 1 8.239 0.0018 . 1 . . . . 143 CYS H . 7292 1 165 . 1 1 41 41 CYS C C 13 173.7 0.002 . 1 . . . . 143 CYS C . 7292 1 166 . 1 1 41 41 CYS CA C 13 58.28 0.0385 . 1 . . . . 143 CYS CA . 7292 1 167 . 1 1 41 41 CYS CB C 13 27.58 0.0401 . 1 . . . . 143 CYS CB . 7292 1 168 . 1 1 41 41 CYS N N 15 119.3 0.0146 . 1 . . . . 143 CYS N . 7292 1 169 . 1 1 42 42 GLY H H 1 8.423 0.0009 . 1 . . . . 144 GLY H . 7292 1 170 . 1 1 42 42 GLY C C 13 172.9 0.0108 . 1 . . . . 144 GLY C . 7292 1 171 . 1 1 42 42 GLY CA C 13 45.13 0.0187 . 1 . . . . 144 GLY CA . 7292 1 172 . 1 1 42 42 GLY N N 15 110 0.0091 . 1 . . . . 144 GLY N . 7292 1 173 . 1 1 43 43 SER H H 1 8.128 0.003 . 1 . . . . 145 SER H . 7292 1 174 . 1 1 43 43 SER C C 13 173.5 0 . 1 . . . . 145 SER C . 7292 1 175 . 1 1 43 43 SER CA C 13 58.11 0.077 . 1 . . . . 145 SER CA . 7292 1 176 . 1 1 43 43 SER CB C 13 63.47 0.0313 . 1 . . . . 145 SER CB . 7292 1 177 . 1 1 43 43 SER N N 15 114.8 0.0092 . 1 . . . . 145 SER N . 7292 1 178 . 1 1 44 44 GLY H H 1 8.232 0.0005 . 1 . . . . 146 GLY H . 7292 1 179 . 1 1 44 44 GLY C C 13 172.5 0.0094 . 1 . . . . 146 GLY C . 7292 1 180 . 1 1 44 44 GLY CA C 13 44.98 0.0424 . 1 . . . . 146 GLY CA . 7292 1 181 . 1 1 44 44 GLY N N 15 109.8 0.004 . 1 . . . . 146 GLY N . 7292 1 182 . 1 1 45 45 ARG H H 1 7.969 0.0005 . 1 . . . . 147 ARG H . 7292 1 183 . 1 1 45 45 ARG C C 13 174.7 0.0066 . 1 . . . . 147 ARG C . 7292 1 184 . 1 1 45 45 ARG CA C 13 55.46 0.0455 . 1 . . . . 147 ARG CA . 7292 1 185 . 1 1 45 45 ARG CB C 13 30.61 0.029 . 1 . . . . 147 ARG CB . 7292 1 186 . 1 1 45 45 ARG N N 15 119.2 0.0029 . 1 . . . . 147 ARG N . 7292 1 187 . 1 1 46 46 SER H H 1 8.256 0.001 . 1 . . . . 148 SER H . 7292 1 188 . 1 1 46 46 SER C C 13 172.6 0.0029 . 1 . . . . 148 SER C . 7292 1 189 . 1 1 46 46 SER CA C 13 57.7 0.0047 . 1 . . . . 148 SER CA . 7292 1 190 . 1 1 46 46 SER CB C 13 63.45 0.0043 . 1 . . . . 148 SER CB . 7292 1 191 . 1 1 46 46 SER N N 15 116.1 0.0147 . 1 . . . . 148 SER N . 7292 1 192 . 1 1 47 47 THR H H 1 8.066 0.0011 . 1 . . . . 149 THR H . 7292 1 193 . 1 1 47 47 THR C C 13 171.3 0 . 1 . . . . 149 THR C . 7292 1 194 . 1 1 47 47 THR CA C 13 59.25 0 . 1 . . . . 149 THR CA . 7292 1 195 . 1 1 47 47 THR CB C 13 69.31 0 . 1 . . . . 149 THR CB . 7292 1 196 . 1 1 47 47 THR N N 15 117.1 0.0068 . 1 . . . . 149 THR N . 7292 1 197 . 1 1 48 48 PRO C C 13 175.4 0.009 . 1 . . . . 150 PRO C . 7292 1 198 . 1 1 48 48 PRO CA C 13 62.86 0.136 . 1 . . . . 150 PRO CA . 7292 1 199 . 1 1 48 48 PRO CB C 13 31.69 0.0165 . 1 . . . . 150 PRO CB . 7292 1 200 . 1 1 49 49 SER H H 1 8.291 0.002 . 1 . . . . 151 SER H . 7292 1 201 . 1 1 49 49 SER C C 13 173.1 0.0045 . 1 . . . . 151 SER C . 7292 1 202 . 1 1 49 49 SER CA C 13 57.95 0.0506 . 1 . . . . 151 SER CA . 7292 1 203 . 1 1 49 49 SER CB C 13 63.43 0.0275 . 1 . . . . 151 SER CB . 7292 1 204 . 1 1 49 49 SER N N 15 115 0.0163 . 1 . . . . 151 SER N . 7292 1 205 . 1 1 50 50 SER H H 1 8.18 0.0014 . 1 . . . . 152 SER H . 7292 1 206 . 1 1 50 50 SER C C 13 172.9 0.0048 . 1 . . . . 152 SER C . 7292 1 207 . 1 1 50 50 SER CA C 13 57.85 0.0239 . 1 . . . . 152 SER CA . 7292 1 208 . 1 1 50 50 SER CB C 13 63.38 0.0025 . 1 . . . . 152 SER CB . 7292 1 209 . 1 1 50 50 SER N N 15 116.8 0.0148 . 1 . . . . 152 SER N . 7292 1 210 . 1 1 51 51 VAL H H 1 7.947 0.0005 . 1 . . . . 153 VAL H . 7292 1 211 . 1 1 51 51 VAL C C 13 174.6 0.0054 . 1 . . . . 153 VAL C . 7292 1 212 . 1 1 51 51 VAL CA C 13 61.71 0.0045 . 1 . . . . 153 VAL CA . 7292 1 213 . 1 1 51 51 VAL CB C 13 32.39 0.0024 . 1 . . . . 153 VAL CB . 7292 1 214 . 1 1 51 51 VAL N N 15 120 0.0048 . 1 . . . . 153 VAL N . 7292 1 215 . 1 1 52 52 SER H H 1 8.223 0.0008 . 1 . . . . 154 SER H . 7292 1 216 . 1 1 52 52 SER C C 13 173.2 0.0033 . 1 . . . . 154 SER C . 7292 1 217 . 1 1 52 52 SER CA C 13 57.7 0.011 . 1 . . . . 154 SER CA . 7292 1 218 . 1 1 52 52 SER CB C 13 63.38 0.0284 . 1 . . . . 154 SER CB . 7292 1 219 . 1 1 52 52 SER N N 15 118.2 0.0172 . 1 . . . . 154 SER N . 7292 1 220 . 1 1 53 53 THR H H 1 8.079 0.0007 . 1 . . . . 155 THR H . 7292 1 221 . 1 1 53 53 THR C C 13 172.9 0.0029 . 1 . . . . 155 THR C . 7292 1 222 . 1 1 53 53 THR CA C 13 61.31 0.0062 . 1 . . . . 155 THR CA . 7292 1 223 . 1 1 53 53 THR CB C 13 69.27 0.0026 . 1 . . . . 155 THR CB . 7292 1 224 . 1 1 53 53 THR N N 15 115.5 0.0119 . 1 . . . . 155 THR N . 7292 1 225 . 1 1 54 54 VAL H H 1 7.968 0.0007 . 1 . . . . 156 VAL H . 7292 1 226 . 1 1 54 54 VAL C C 13 174.5 0.0057 . 1 . . . . 156 VAL C . 7292 1 227 . 1 1 54 54 VAL CA C 13 61.81 0.0587 . 1 . . . . 156 VAL CA . 7292 1 228 . 1 1 54 54 VAL CB C 13 32.41 0.0097 . 1 . . . . 156 VAL CB . 7292 1 229 . 1 1 54 54 VAL N N 15 121 0.0083 . 1 . . . . 156 VAL N . 7292 1 230 . 1 1 55 55 SER H H 1 8.266 0.0009 . 1 . . . . 157 SER H . 7292 1 231 . 1 1 55 55 SER C C 13 173 0.0033 . 1 . . . . 157 SER C . 7292 1 232 . 1 1 55 55 SER CA C 13 57.73 0.009 . 1 . . . . 157 SER CA . 7292 1 233 . 1 1 55 55 SER CB C 13 63.53 0.0712 . 1 . . . . 157 SER CB . 7292 1 234 . 1 1 55 55 SER N N 15 118.6 0.0224 . 1 . . . . 157 SER N . 7292 1 235 . 1 1 56 56 THR H H 1 8.048 0.0045 . 1 . . . . 158 THR H . 7292 1 236 . 1 1 56 56 THR C C 13 172.7 0.0028 . 1 . . . . 158 THR C . 7292 1 237 . 1 1 56 56 THR CA C 13 61.26 0.0215 . 1 . . . . 158 THR CA . 7292 1 238 . 1 1 56 56 THR CB C 13 69.25 0.0057 . 1 . . . . 158 THR CB . 7292 1 239 . 1 1 56 56 THR N N 15 115.6 0.0082 . 1 . . . . 158 THR N . 7292 1 240 . 1 1 57 57 ILE H H 1 7.971 0.0005 . 1 . . . . 159 ILE H . 7292 1 241 . 1 1 57 57 ILE C C 13 174.2 0.0054 . 1 . . . . 159 ILE C . 7292 1 242 . 1 1 57 57 ILE CA C 13 60.55 0.0411 . 1 . . . . 159 ILE CA . 7292 1 243 . 1 1 57 57 ILE CB C 13 38.33 0.0065 . 1 . . . . 159 ILE CB . 7292 1 244 . 1 1 57 57 ILE N N 15 122.1 0.0211 . 1 . . . . 159 ILE N . 7292 1 245 . 1 1 58 58 CYS H H 1 8.451 0.0004 . 1 . . . . 160 CYS H . 7292 1 246 . 1 1 58 58 CYS C C 13 171.4 0 . 1 . . . . 160 CYS C . 7292 1 247 . 1 1 58 58 CYS CA C 13 55.91 0 . 1 . . . . 160 CYS CA . 7292 1 248 . 1 1 58 58 CYS CB C 13 27.14 0 . 1 . . . . 160 CYS CB . 7292 1 249 . 1 1 58 58 CYS N N 15 124.7 0.0061 . 1 . . . . 160 CYS N . 7292 1 250 . 1 1 59 59 PRO C C 13 176.1 0.008 . 1 . . . . 161 PRO C . 7292 1 251 . 1 1 59 59 PRO CA C 13 63.51 0.0155 . 1 . . . . 161 PRO CA . 7292 1 252 . 1 1 59 59 PRO CB C 13 31.67 0.0115 . 1 . . . . 161 PRO CB . 7292 1 253 . 1 1 60 60 GLY H H 1 8.289 0.0013 . 1 . . . . 162 GLY H . 7292 1 254 . 1 1 60 60 GLY C C 13 172.5 0.001 . 1 . . . . 162 GLY C . 7292 1 255 . 1 1 60 60 GLY CA C 13 44.96 0.0645 . 1 . . . . 162 GLY CA . 7292 1 256 . 1 1 60 60 GLY N N 15 107.7 0.0264 . 1 . . . . 162 GLY N . 7292 1 257 . 1 1 61 61 ASP H H 1 7.931 0.0006 . 1 . . . . 163 ASP H . 7292 1 258 . 1 1 61 61 ASP C C 13 174.9 0.005 . 1 . . . . 163 ASP C . 7292 1 259 . 1 1 61 61 ASP CA C 13 53.95 0.005 . 1 . . . . 163 ASP CA . 7292 1 260 . 1 1 61 61 ASP CB C 13 40.76 0.0054 . 1 . . . . 163 ASP CB . 7292 1 261 . 1 1 61 61 ASP N N 15 119.3 0.0106 . 1 . . . . 163 ASP N . 7292 1 262 . 1 1 62 62 LEU H H 1 7.911 0.0004 . 1 . . . . 164 LEU H . 7292 1 263 . 1 1 62 62 LEU C C 13 175.9 0.0073 . 1 . . . . 164 LEU C . 7292 1 264 . 1 1 62 62 LEU CA C 13 54.98 0.0041 . 1 . . . . 164 LEU CA . 7292 1 265 . 1 1 62 62 LEU CB C 13 41.78 0.0067 . 1 . . . . 164 LEU CB . 7292 1 266 . 1 1 62 62 LEU N N 15 121.3 0.009 . 1 . . . . 164 LEU N . 7292 1 267 . 1 1 63 63 LYS H H 1 8.108 0.0005 . 1 . . . . 165 LYS H . 7292 1 268 . 1 1 63 63 LYS C C 13 175.1 0.0048 . 1 . . . . 165 LYS C . 7292 1 269 . 1 1 63 63 LYS CA C 13 56.03 0.0469 . 1 . . . . 165 LYS CA . 7292 1 270 . 1 1 63 63 LYS CB C 13 32.26 0.077 . 1 . . . . 165 LYS CB . 7292 1 271 . 1 1 63 63 LYS N N 15 120.8 0.0076 . 1 . . . . 165 LYS N . 7292 1 272 . 1 1 64 64 VAL H H 1 7.806 0.0004 . 1 . . . . 166 VAL H . 7292 1 273 . 1 1 64 64 VAL C C 13 174.3 0.0058 . 1 . . . . 166 VAL C . 7292 1 274 . 1 1 64 64 VAL CA C 13 61.86 0.0936 . 1 . . . . 166 VAL CA . 7292 1 275 . 1 1 64 64 VAL CB C 13 32.41 0.018 . 1 . . . . 166 VAL CB . 7292 1 276 . 1 1 64 64 VAL N N 15 119.7 0.0069 . 1 . . . . 166 VAL N . 7292 1 277 . 1 1 65 65 ALA H H 1 8.14 0.0019 . 1 . . . . 167 ALA H . 7292 1 278 . 1 1 65 65 ALA C C 13 175.9 0.0078 . 1 . . . . 167 ALA C . 7292 1 279 . 1 1 65 65 ALA CA C 13 52.11 0.0096 . 1 . . . . 167 ALA CA . 7292 1 280 . 1 1 65 65 ALA CB C 13 18.8 0.0233 . 1 . . . . 167 ALA CB . 7292 1 281 . 1 1 65 65 ALA N N 15 126.4 0.0213 . 1 . . . . 167 ALA N . 7292 1 282 . 1 1 66 66 ALA H H 1 8.018 0.0005 . 1 . . . . 168 ALA H . 7292 1 283 . 1 1 66 66 ALA C C 13 176.1 0.0067 . 1 . . . . 168 ALA C . 7292 1 284 . 1 1 66 66 ALA CA C 13 52.07 0.0285 . 1 . . . . 168 ALA CA . 7292 1 285 . 1 1 66 66 ALA CB C 13 18.82 0.012 . 1 . . . . 168 ALA CB . 7292 1 286 . 1 1 66 66 ALA N N 15 122.2 0.0118 . 1 . . . . 168 ALA N . 7292 1 287 . 1 1 67 67 LYS H H 1 8.029 0.001 . 1 . . . . 169 LYS H . 7292 1 288 . 1 1 67 67 LYS C C 13 174.7 0.0059 . 1 . . . . 169 LYS C . 7292 1 289 . 1 1 67 67 LYS CA C 13 55.73 0.0556 . 1 . . . . 169 LYS CA . 7292 1 290 . 1 1 67 67 LYS CB C 13 32.57 0.0372 . 1 . . . . 169 LYS CB . 7292 1 291 . 1 1 67 67 LYS N N 15 119.3 0.0066 . 1 . . . . 169 LYS N . 7292 1 292 . 1 1 68 68 LEU H H 1 8.012 0.0014 . 1 . . . . 170 LEU H . 7292 1 293 . 1 1 68 68 LEU C C 13 175 0.0031 . 1 . . . . 170 LEU C . 7292 1 294 . 1 1 68 68 LEU CA C 13 54.35 0.0111 . 1 . . . . 170 LEU CA . 7292 1 295 . 1 1 68 68 LEU CB C 13 42.08 0.0086 . 1 . . . . 170 LEU CB . 7292 1 296 . 1 1 68 68 LEU N N 15 122.4 0.0065 . 1 . . . . 170 LEU N . 7292 1 297 . 1 1 69 69 ALA H H 1 8.07 0.0006 . 1 . . . . 171 ALA H . 7292 1 298 . 1 1 69 69 ALA C C 13 173.7 0 . 1 . . . . 171 ALA C . 7292 1 299 . 1 1 69 69 ALA CA C 13 49.93 0 . 1 . . . . 171 ALA CA . 7292 1 300 . 1 1 69 69 ALA CB C 13 17.89 0 . 1 . . . . 171 ALA CB . 7292 1 301 . 1 1 69 69 ALA N N 15 125.1 0.0109 . 1 . . . . 171 ALA N . 7292 1 302 . 1 1 70 70 PRO C C 13 174.9 0.0065 . 1 . . . . 172 PRO C . 7292 1 303 . 1 1 70 70 PRO CA C 13 62.66 0.0415 . 1 . . . . 172 PRO CA . 7292 1 304 . 1 1 70 70 PRO CB C 13 31.66 0.014 . 1 . . . . 172 PRO CB . 7292 1 305 . 1 1 71 71 ASN H H 1 8.301 0.0006 . 1 . . . . 173 ASN H . 7292 1 306 . 1 1 71 71 ASN C C 13 173 0.0054 . 1 . . . . 173 ASN C . 7292 1 307 . 1 1 71 71 ASN CA C 13 52.79 0.0107 . 1 . . . . 173 ASN CA . 7292 1 308 . 1 1 71 71 ASN CB C 13 38.27 0.0143 . 1 . . . . 173 ASN CB . 7292 1 309 . 1 1 71 71 ASN N N 15 117.4 0.0108 . 1 . . . . 173 ASN N . 7292 1 310 . 1 1 72 72 ILE H H 1 7.835 0.0004 . 1 . . . . 174 ILE H . 7292 1 311 . 1 1 72 72 ILE C C 13 172.7 0 . 1 . . . . 174 ILE C . 7292 1 312 . 1 1 72 72 ILE CA C 13 58.16 0 . 1 . . . . 174 ILE CA . 7292 1 313 . 1 1 72 72 ILE N N 15 121.5 0.0146 . 1 . . . . 174 ILE N . 7292 1 314 . 1 1 73 73 PRO C C 13 175.1 0.006 . 1 . . . . 175 PRO C . 7292 1 315 . 1 1 73 73 PRO CA C 13 62.63 0.058 . 1 . . . . 175 PRO CA . 7292 1 316 . 1 1 73 73 PRO CB C 13 31.68 0.0062 . 1 . . . . 175 PRO CB . 7292 1 317 . 1 1 74 74 LEU H H 1 8.13 0.0009 . 1 . . . . 176 LEU H . 7292 1 318 . 1 1 74 74 LEU C C 13 176 0.0051 . 1 . . . . 176 LEU C . 7292 1 319 . 1 1 74 74 LEU CA C 13 54.99 0.0352 . 1 . . . . 176 LEU CA . 7292 1 320 . 1 1 74 74 LEU CB C 13 42.1 0.0079 . 1 . . . . 176 LEU CB . 7292 1 321 . 1 1 74 74 LEU N N 15 121.7 0.0097 . 1 . . . . 176 LEU N . 7292 1 322 . 1 1 75 75 GLU H H 1 8.294 0.0005 . 1 . . . . 177 GLU H . 7292 1 323 . 1 1 75 75 GLU C C 13 174.7 0.0054 . 1 . . . . 177 GLU C . 7292 1 324 . 1 1 75 75 GLU CA C 13 56.22 0.0426 . 1 . . . . 177 GLU CA . 7292 1 325 . 1 1 75 75 GLU CB C 13 29.69 0.0104 . 1 . . . . 177 GLU CB . 7292 1 326 . 1 1 75 75 GLU N N 15 120 0.0046 . 1 . . . . 177 GLU N . 7292 1 327 . 1 1 76 76 MET H H 1 8.096 0.0008 . 1 . . . . 178 MET H . 7292 1 328 . 1 1 76 76 MET C C 13 174.2 0.0066 . 1 . . . . 178 MET C . 7292 1 329 . 1 1 76 76 MET CA C 13 54.96 0.0222 . 1 . . . . 178 MET CA . 7292 1 330 . 1 1 76 76 MET CB C 13 32.84 0.0141 . 1 . . . . 178 MET CB . 7292 1 331 . 1 1 76 76 MET N N 15 119.6 0.0207 . 1 . . . . 178 MET N . 7292 1 332 . 1 1 77 77 GLU H H 1 8.161 0.0025 . 1 . . . . 179 GLU H . 7292 1 333 . 1 1 77 77 GLU C C 13 174.3 0.0053 . 1 . . . . 179 GLU C . 7292 1 334 . 1 1 77 77 GLU CA C 13 55.79 0.0579 . 1 . . . . 179 GLU CA . 7292 1 335 . 1 1 77 77 GLU CB C 13 29.98 0.0257 . 1 . . . . 179 GLU CB . 7292 1 336 . 1 1 77 77 GLU N N 15 121.1 0.0361 . 1 . . . . 179 GLU N . 7292 1 337 . 1 1 78 78 LEU H H 1 8.15 0.0005 . 1 . . . . 180 LEU H . 7292 1 338 . 1 1 78 78 LEU C C 13 173.6 0 . 1 . . . . 180 LEU C . 7292 1 339 . 1 1 78 78 LEU CA C 13 52.5 0 . 1 . . . . 180 LEU CA . 7292 1 340 . 1 1 78 78 LEU CB C 13 41.34 0 . 1 . . . . 180 LEU CB . 7292 1 341 . 1 1 78 78 LEU N N 15 123.9 0.0129 . 1 . . . . 180 LEU N . 7292 1 342 . 1 1 79 79 PRO C C 13 176.1 0.008 . 1 . . . . 181 PRO C . 7292 1 343 . 1 1 79 79 PRO CA C 13 62.95 0.0005 . 1 . . . . 181 PRO CA . 7292 1 344 . 1 1 79 79 PRO CB C 13 31.59 0.076 . 1 . . . . 181 PRO CB . 7292 1 345 . 1 1 80 80 GLY H H 1 8.289 0.0009 . 1 . . . . 182 GLY H . 7292 1 346 . 1 1 80 80 GLY C C 13 172.5 0.0045 . 1 . . . . 182 GLY C . 7292 1 347 . 1 1 80 80 GLY CA C 13 44.86 0.0196 . 1 . . . . 182 GLY CA . 7292 1 348 . 1 1 80 80 GLY N N 15 108.1 0.0209 . 1 . . . . 182 GLY N . 7292 1 349 . 1 1 81 81 VAL H H 1 7.687 0.0005 . 1 . . . . 183 VAL H . 7292 1 350 . 1 1 81 81 VAL C C 13 174.3 0.0045 . 1 . . . . 183 VAL C . 7292 1 351 . 1 1 81 81 VAL CA C 13 61.93 0.0125 . 1 . . . . 183 VAL CA . 7292 1 352 . 1 1 81 81 VAL CB C 13 32.32 0.0285 . 1 . . . . 183 VAL CB . 7292 1 353 . 1 1 81 81 VAL N N 15 118.6 0.0052 . 1 . . . . 183 VAL N . 7292 1 354 . 1 1 82 82 LYS H H 1 8.208 0.0011 . 1 . . . . 184 LYS H . 7292 1 355 . 1 1 82 82 LYS C C 13 174.5 0.0059 . 1 . . . . 184 LYS C . 7292 1 356 . 1 1 82 82 LYS CA C 13 55.62 0.0116 . 1 . . . . 184 LYS CA . 7292 1 357 . 1 1 82 82 LYS CB C 13 32.61 0.0179 . 1 . . . . 184 LYS CB . 7292 1 358 . 1 1 82 82 LYS N N 15 124.2 0.0068 . 1 . . . . 184 LYS N . 7292 1 359 . 1 1 83 83 ILE H H 1 8.05 0.0003 . 1 . . . . 185 ILE H . 7292 1 360 . 1 1 83 83 ILE C C 13 174.3 0.0045 . 1 . . . . 185 ILE C . 7292 1 361 . 1 1 83 83 ILE CA C 13 60.31 0.0483 . 1 . . . . 185 ILE CA . 7292 1 362 . 1 1 83 83 ILE CB C 13 38.14 0.019 . 1 . . . . 185 ILE CB . 7292 1 363 . 1 1 83 83 ILE N N 15 122.7 0.0096 . 1 . . . . 185 ILE N . 7292 1 364 . 1 1 84 84 VAL H H 1 8.085 0.0004 . 1 . . . . 186 VAL H . 7292 1 365 . 1 1 84 84 VAL C C 13 174.1 0.0108 . 1 . . . . 186 VAL C . 7292 1 366 . 1 1 84 84 VAL CA C 13 61.63 0.043 . 1 . . . . 186 VAL CA . 7292 1 367 . 1 1 84 84 VAL CB C 13 32.44 0.0246 . 1 . . . . 186 VAL CB . 7292 1 368 . 1 1 84 84 VAL N N 15 124.2 0.0086 . 1 . . . . 186 VAL N . 7292 1 369 . 1 1 85 85 HIS H H 1 8.283 0.0026 . 1 . . . . 187 HIS H . 7292 1 370 . 1 1 85 85 HIS C C 13 173.1 0.0054 . 1 . . . . 187 HIS C . 7292 1 371 . 1 1 85 85 HIS CA C 13 55.3 0.0075 . 1 . . . . 187 HIS CA . 7292 1 372 . 1 1 85 85 HIS CB C 13 29.97 0.0427 . 1 . . . . 187 HIS CB . 7292 1 373 . 1 1 85 85 HIS N N 15 122.7 0.0235 . 1 . . . . 187 HIS N . 7292 1 374 . 1 1 86 86 ALA H H 1 8.191 0.0011 . 1 . . . . 188 ALA H . 7292 1 375 . 1 1 86 86 ALA C C 13 175.7 0.0071 . 1 . . . . 188 ALA C . 7292 1 376 . 1 1 86 86 ALA CA C 13 52.13 0.0108 . 1 . . . . 188 ALA CA . 7292 1 377 . 1 1 86 86 ALA CB C 13 18.94 0.0429 . 1 . . . . 188 ALA CB . 7292 1 378 . 1 1 86 86 ALA N N 15 124.5 0.0082 . 1 . . . . 188 ALA N . 7292 1 379 . 1 1 87 87 GLN H H 1 8.225 0.0004 . 1 . . . . 189 GLN H . 7292 1 380 . 1 1 87 87 GLN C C 13 174 0.0045 . 1 . . . . 189 GLN C . 7292 1 381 . 1 1 87 87 GLN CA C 13 55.37 0.0514 . 1 . . . . 189 GLN CA . 7292 1 382 . 1 1 87 87 GLN CB C 13 29.16 0.0065 . 1 . . . . 189 GLN CB . 7292 1 383 . 1 1 87 87 GLN N N 15 118.4 0.0055 . 1 . . . . 189 GLN N . 7292 1 384 . 1 1 88 88 PHE H H 1 8.062 0.0017 . 1 . . . . 190 PHE H . 7292 1 385 . 1 1 88 88 PHE C C 13 173.7 0.0052 . 1 . . . . 190 PHE C . 7292 1 386 . 1 1 88 88 PHE CA C 13 56.88 0.015 . 1 . . . . 190 PHE CA . 7292 1 387 . 1 1 88 88 PHE CB C 13 39.22 0.0131 . 1 . . . . 190 PHE CB . 7292 1 388 . 1 1 88 88 PHE N N 15 119.6 0.0133 . 1 . . . . 190 PHE N . 7292 1 389 . 1 1 89 89 ASN H H 1 8.257 0.0011 . 1 . . . . 191 ASN H . 7292 1 390 . 1 1 89 89 ASN C C 13 173 0.0033 . 1 . . . . 191 ASN C . 7292 1 391 . 1 1 89 89 ASN CA C 13 52.62 0.0375 . 1 . . . . 191 ASN CA . 7292 1 392 . 1 1 89 89 ASN CB C 13 38.69 0.0237 . 1 . . . . 191 ASN CB . 7292 1 393 . 1 1 89 89 ASN N N 15 119.2 0.0059 . 1 . . . . 191 ASN N . 7292 1 394 . 1 1 90 90 THR H H 1 7.894 0.0007 . 1 . . . . 192 THR H . 7292 1 395 . 1 1 90 90 THR C C 13 171.2 0 . 1 . . . . 192 THR C . 7292 1 396 . 1 1 90 90 THR CA C 13 59.45 0 . 1 . . . . 192 THR CA . 7292 1 397 . 1 1 90 90 THR CB C 13 69.28 0 . 1 . . . . 192 THR CB . 7292 1 398 . 1 1 90 90 THR N N 15 115.5 0.0101 . 1 . . . . 192 THR N . 7292 1 399 . 1 1 91 91 PRO C C 13 175.3 0.006 . 1 . . . . 193 PRO C . 7292 1 400 . 1 1 91 91 PRO CA C 13 62.91 0.0295 . 1 . . . . 193 PRO CA . 7292 1 401 . 1 1 91 91 PRO CB C 13 31.66 0.0135 . 1 . . . . 193 PRO CB . 7292 1 402 . 1 1 92 92 MET H H 1 8.214 0.0005 . 1 . . . . 194 MET H . 7292 1 403 . 1 1 92 92 MET C C 13 174.4 0.002 . 1 . . . . 194 MET C . 7292 1 404 . 1 1 92 92 MET CA C 13 55.24 0.0628 . 1 . . . . 194 MET CA . 7292 1 405 . 1 1 92 92 MET CB C 13 32.53 0.0537 . 1 . . . . 194 MET CB . 7292 1 406 . 1 1 92 92 MET N N 15 119.2 0.0102 . 1 . . . . 194 MET N . 7292 1 407 . 1 1 93 93 GLN H H 1 8.149 0.0007 . 1 . . . . 195 GLN H . 7292 1 408 . 1 1 93 93 GLN C C 13 173.7 0.0048 . 1 . . . . 195 GLN C . 7292 1 409 . 1 1 93 93 GLN CA C 13 55.35 0.0439 . 1 . . . . 195 GLN CA . 7292 1 410 . 1 1 93 93 GLN CB C 13 29.07 0.0375 . 1 . . . . 195 GLN CB . 7292 1 411 . 1 1 93 93 GLN N N 15 120.5 0.0199 . 1 . . . . 195 GLN N . 7292 1 412 . 1 1 94 94 LEU H H 1 8.029 0.0013 . 1 . . . . 196 LEU H . 7292 1 413 . 1 1 94 94 LEU C C 13 175.2 0.0059 . 1 . . . . 196 LEU C . 7292 1 414 . 1 1 94 94 LEU CA C 13 54.68 0.0404 . 1 . . . . 196 LEU CA . 7292 1 415 . 1 1 94 94 LEU CB C 13 42.21 0.0062 . 1 . . . . 196 LEU CB . 7292 1 416 . 1 1 94 94 LEU N N 15 122.4 0.0126 . 1 . . . . 196 LEU N . 7292 1 417 . 1 1 95 95 TYR H H 1 8.021 0.0013 . 1 . . . . 197 TYR H . 7292 1 418 . 1 1 95 95 TYR C C 13 174 0.0038 . 1 . . . . 197 TYR C . 7292 1 419 . 1 1 95 95 TYR CA C 13 57.03 0.0283 . 1 . . . . 197 TYR CA . 7292 1 420 . 1 1 95 95 TYR CB C 13 38.59 0.0074 . 1 . . . . 197 TYR CB . 7292 1 421 . 1 1 95 95 TYR N N 15 119.3 0.017 . 1 . . . . 197 TYR N . 7292 1 422 . 1 1 96 96 SER H H 1 8.028 0.0003 . 1 . . . . 198 SER H . 7292 1 423 . 1 1 96 96 SER C C 13 172.5 0.0049 . 1 . . . . 198 SER C . 7292 1 424 . 1 1 96 96 SER CA C 13 57.47 0.038 . 1 . . . . 198 SER CA . 7292 1 425 . 1 1 96 96 SER CB C 13 63.73 0.0059 . 1 . . . . 198 SER CB . 7292 1 426 . 1 1 96 96 SER N N 15 116.1 0.0096 . 1 . . . . 198 SER N . 7292 1 427 . 1 1 97 97 ASP H H 1 8.206 0.0022 . 1 . . . . 199 ASP H . 7292 1 428 . 1 1 97 97 ASP C C 13 174.5 0.0042 . 1 . . . . 199 ASP C . 7292 1 429 . 1 1 97 97 ASP CA C 13 54.16 0.0766 . 1 . . . . 199 ASP CA . 7292 1 430 . 1 1 97 97 ASP CB C 13 40.73 0.0464 . 1 . . . . 199 ASP CB . 7292 1 431 . 1 1 97 97 ASP N N 15 121.6 0.025 . 1 . . . . 199 ASP N . 7292 1 432 . 1 1 98 98 ASP H H 1 8.107 0.0007 . 1 . . . . 200 ASP H . 7292 1 433 . 1 1 98 98 ASP C C 13 174.6 0.0034 . 1 . . . . 200 ASP C . 7292 1 434 . 1 1 98 98 ASP CA C 13 54.32 0.0543 . 1 . . . . 200 ASP CA . 7292 1 435 . 1 1 98 98 ASP CB C 13 40.6 0.008 . 1 . . . . 200 ASP CB . 7292 1 436 . 1 1 98 98 ASP N N 15 119.1 0.0116 . 1 . . . . 200 ASP N . 7292 1 437 . 1 1 99 99 ASN H H 1 8.177 0.001 . 1 . . . . 201 ASN H . 7292 1 438 . 1 1 99 99 ASN C C 13 173.9 0.005 . 1 . . . . 201 ASN C . 7292 1 439 . 1 1 99 99 ASN CA C 13 53.1 0.0062 . 1 . . . . 201 ASN CA . 7292 1 440 . 1 1 99 99 ASN CB C 13 38.45 0.0195 . 1 . . . . 201 ASN CB . 7292 1 441 . 1 1 99 99 ASN N N 15 117.6 0.0034 . 1 . . . . 201 ASN N . 7292 1 442 . 1 1 100 100 ILE H H 1 7.872 0.0012 . 1 . . . . 202 ILE H . 7292 1 443 . 1 1 100 100 ILE C C 13 174.9 0.0041 . 1 . . . . 202 ILE C . 7292 1 444 . 1 1 100 100 ILE CA C 13 61.29 0.0237 . 1 . . . . 202 ILE CA . 7292 1 445 . 1 1 100 100 ILE CB C 13 37.97 0.016 . 1 . . . . 202 ILE CB . 7292 1 446 . 1 1 100 100 ILE N N 15 119.9 0.0107 . 1 . . . . 202 ILE N . 7292 1 447 . 1 1 101 101 MET H H 1 8.201 0.0006 . 1 . . . . 203 MET H . 7292 1 448 . 1 1 101 101 MET C C 13 175 0.0048 . 1 . . . . 203 MET C . 7292 1 449 . 1 1 101 101 MET CA C 13 55.44 0.0243 . 1 . . . . 203 MET CA . 7292 1 450 . 1 1 101 101 MET CB C 13 32.12 0.0345 . 1 . . . . 203 MET CB . 7292 1 451 . 1 1 101 101 MET N N 15 122.1 0.0243 . 1 . . . . 203 MET N . 7292 1 452 . 1 1 102 102 GLU H H 1 8.186 0.0006 . 1 . . . . 204 GLU H . 7292 1 453 . 1 1 102 102 GLU C C 13 175.3 0.0048 . 1 . . . . 204 GLU C . 7292 1 454 . 1 1 102 102 GLU CA C 13 56.72 0.02 . 1 . . . . 204 GLU CA . 7292 1 455 . 1 1 102 102 GLU CB C 13 29.86 0.0166 . 1 . . . . 204 GLU CB . 7292 1 456 . 1 1 102 102 GLU N N 15 120.7 0.0046 . 1 . . . . 204 GLU N . 7292 1 457 . 1 1 103 103 THR H H 1 7.964 0.0007 . 1 . . . . 205 THR H . 7292 1 458 . 1 1 103 103 THR C C 13 173.3 0.0033 . 1 . . . . 205 THR C . 7292 1 459 . 1 1 103 103 THR CA C 13 61.92 0.049 . 1 . . . . 205 THR CA . 7292 1 460 . 1 1 103 103 THR CB C 13 69.33 0.0151 . 1 . . . . 205 THR CB . 7292 1 461 . 1 1 103 103 THR N N 15 113.9 0.0057 . 1 . . . . 205 THR N . 7292 1 462 . 1 1 104 104 LEU H H 1 8.077 0.0005 . 1 . . . . 206 LEU H . 7292 1 463 . 1 1 104 104 LEU C C 13 176 0.0056 . 1 . . . . 206 LEU C . 7292 1 464 . 1 1 104 104 LEU CA C 13 55.02 0.0434 . 1 . . . . 206 LEU CA . 7292 1 465 . 1 1 104 104 LEU CB C 13 41.75 0.012 . 1 . . . . 206 LEU CB . 7292 1 466 . 1 1 104 104 LEU N N 15 123 0.0102 . 1 . . . . 206 LEU N . 7292 1 467 . 1 1 105 105 GLN H H 1 8.156 0.0006 . 1 . . . . 207 GLN H . 7292 1 468 . 1 1 105 105 GLN C C 13 175 0.0042 . 1 . . . . 207 GLN C . 7292 1 469 . 1 1 105 105 GLN CA C 13 55.85 0.0629 . 1 . . . . 207 GLN CA . 7292 1 470 . 1 1 105 105 GLN CB C 13 28.82 0.0164 . 1 . . . . 207 GLN CB . 7292 1 471 . 1 1 105 105 GLN N N 15 119.4 0.0096 . 1 . . . . 207 GLN N . 7292 1 472 . 1 1 106 106 GLY H H 1 8.209 0.0008 . 1 . . . . 208 GLY H . 7292 1 473 . 1 1 106 106 GLY C C 13 172.4 0.0522 . 1 . . . . 208 GLY C . 7292 1 474 . 1 1 106 106 GLY CA C 13 44.93 0.0455 . 1 . . . . 208 GLY CA . 7292 1 475 . 1 1 106 106 GLY N N 15 108.6 0.01 . 1 . . . . 208 GLY N . 7292 1 476 . 1 1 107 107 GLN H H 1 8.011 0.0007 . 1 . . . . 209 GLN H . 7292 1 477 . 1 1 107 107 GLN C C 13 174.5 0.0299 . 1 . . . . 209 GLN C . 7292 1 478 . 1 1 107 107 GLN CA C 13 55.2 0.0655 . 1 . . . . 209 GLN CA . 7292 1 479 . 1 1 107 107 GLN CB C 13 29.17 0.0118 . 1 . . . . 209 GLN CB . 7292 1 480 . 1 1 107 107 GLN N N 15 118.8 0.0045 . 1 . . . . 209 GLN N . 7292 1 481 . 1 1 108 108 VAL H H 1 8.066 0.0006 . 1 . . . . 210 VAL H . 7292 1 482 . 1 1 108 108 VAL C C 13 174.7 0.0041 . 1 . . . . 210 VAL C . 7292 1 483 . 1 1 108 108 VAL CA C 13 61.8 0.0128 . 1 . . . . 210 VAL CA . 7292 1 484 . 1 1 108 108 VAL CB C 13 32.46 0.0181 . 1 . . . . 210 VAL CB . 7292 1 485 . 1 1 108 108 VAL N N 15 120.2 0.0066 . 1 . . . . 210 VAL N . 7292 1 486 . 1 1 109 109 SER H H 1 8.311 0.0008 . 1 . . . . 211 SER H . 7292 1 487 . 1 1 109 109 SER C C 13 173.3 0.0041 . 1 . . . . 211 SER C . 7292 1 488 . 1 1 109 109 SER CA C 13 57.85 0.063 . 1 . . . . 211 SER CA . 7292 1 489 . 1 1 109 109 SER CB C 13 63.44 0.0202 . 1 . . . . 211 SER CB . 7292 1 490 . 1 1 109 109 SER N N 15 118.4 0.0099 . 1 . . . . 211 SER N . 7292 1 491 . 1 1 110 110 THR H H 1 8.052 0.0007 . 1 . . . . 212 THR H . 7292 1 492 . 1 1 110 110 THR C C 13 172.8 0.0079 . 1 . . . . 212 THR C . 7292 1 493 . 1 1 110 110 THR CA C 13 61.43 0.044 . 1 . . . . 212 THR CA . 7292 1 494 . 1 1 110 110 THR CB C 13 69.28 0.0205 . 1 . . . . 212 THR CB . 7292 1 495 . 1 1 110 110 THR N N 15 115.3 0.0442 . 1 . . . . 212 THR N . 7292 1 496 . 1 1 111 111 ALA H H 1 8.131 0.0019 . 1 . . . . 213 ALA H . 7292 1 497 . 1 1 111 111 ALA C C 13 176.1 0.0056 . 1 . . . . 213 ALA C . 7292 1 498 . 1 1 111 111 ALA CA C 13 52.1 0.0215 . 1 . . . . 213 ALA CA . 7292 1 499 . 1 1 111 111 ALA CB C 13 18.78 0.0653 . 1 . . . . 213 ALA CB . 7292 1 500 . 1 1 111 111 ALA N N 15 125.4 0.0414 . 1 . . . . 213 ALA N . 7292 1 501 . 1 1 112 112 LEU H H 1 8.047 0.0005 . 1 . . . . 214 LEU H . 7292 1 502 . 1 1 112 112 LEU C C 13 176.4 0.0062 . 1 . . . . 214 LEU C . 7292 1 503 . 1 1 112 112 LEU CA C 13 54.92 0.0084 . 1 . . . . 214 LEU CA . 7292 1 504 . 1 1 112 112 LEU CB C 13 41.91 0.0258 . 1 . . . . 214 LEU CB . 7292 1 505 . 1 1 112 112 LEU N N 15 120.4 0.0041 . 1 . . . . 214 LEU N . 7292 1 506 . 1 1 113 113 GLY H H 1 8.165 0.0004 . 1 . . . . 215 GLY H . 7292 1 507 . 1 1 113 113 GLY C C 13 172.3 0.0061 . 1 . . . . 215 GLY C . 7292 1 508 . 1 1 113 113 GLY CA C 13 44.78 0.0082 . 1 . . . . 215 GLY CA . 7292 1 509 . 1 1 113 113 GLY N N 15 108.4 0.0027 . 1 . . . . 215 GLY N . 7292 1 510 . 1 1 114 114 GLU H H 1 8.037 0.0014 . 1 . . . . 216 GLU H . 7292 1 511 . 1 1 114 114 GLU C C 13 174.9 0.004 . 1 . . . . 216 GLU C . 7292 1 512 . 1 1 114 114 GLU CA C 13 55.78 0.054 . 1 . . . . 216 GLU CA . 7292 1 513 . 1 1 114 114 GLU CB C 13 30.18 0.0222 . 1 . . . . 216 GLU CB . 7292 1 514 . 1 1 114 114 GLU N N 15 119.3 0.0107 . 1 . . . . 216 GLU N . 7292 1 515 . 1 1 115 115 THR H H 1 8.153 0.0007 . 1 . . . . 217 THR H . 7292 1 516 . 1 1 115 115 THR C C 13 171.2 0 . 1 . . . . 217 THR C . 7292 1 517 . 1 1 115 115 THR CA C 13 59.42 0 . 1 . . . . 217 THR CA . 7292 1 518 . 1 1 115 115 THR CB C 13 69.31 0 . 1 . . . . 217 THR CB . 7292 1 519 . 1 1 115 115 THR N N 15 117.2 0.0082 . 1 . . . . 217 THR N . 7292 1 520 . 1 1 116 116 PRO C C 13 175.1 0.0042 . 1 . . . . 218 PRO C . 7292 1 521 . 1 1 116 116 PRO CA C 13 62.58 0.0025 . 1 . . . . 218 PRO CA . 7292 1 522 . 1 1 116 116 PRO CB C 13 31.71 0.0085 . 1 . . . . 218 PRO CB . 7292 1 523 . 1 1 117 117 LEU H H 1 8.174 0.0005 . 1 . . . . 219 LEU H . 7292 1 524 . 1 1 117 117 LEU C C 13 175.8 0.0054 . 1 . . . . 219 LEU C . 7292 1 525 . 1 1 117 117 LEU CA C 13 54.83 0.0579 . 1 . . . . 219 LEU CA . 7292 1 526 . 1 1 117 117 LEU CB C 13 41.88 0.0176 . 1 . . . . 219 LEU CB . 7292 1 527 . 1 1 117 117 LEU N N 15 121.4 0.0019 . 1 . . . . 219 LEU N . 7292 1 528 . 1 1 118 118 MET H H 1 8.212 0.0004 . 1 . . . . 220 MET H . 7292 1 529 . 1 1 118 118 MET C C 13 174.3 0.0066 . 1 . . . . 220 MET C . 7292 1 530 . 1 1 118 118 MET CA C 13 54.81 0.0159 . 1 . . . . 220 MET CA . 7292 1 531 . 1 1 118 118 MET CB C 13 32.57 0.0145 . 1 . . . . 220 MET CB . 7292 1 532 . 1 1 118 118 MET N N 15 120.4 0.0053 . 1 . . . . 220 MET N . 7292 1 533 . 1 1 119 119 SER H H 1 8.095 0.0015 . 1 . . . . 221 SER H . 7292 1 534 . 1 1 119 119 SER C C 13 172.4 0.0037 . 1 . . . . 221 SER C . 7292 1 535 . 1 1 119 119 SER CA C 13 57.64 0.002 . 1 . . . . 221 SER CA . 7292 1 536 . 1 1 119 119 SER CB C 13 63.5 0.01 . 1 . . . . 221 SER CB . 7292 1 537 . 1 1 119 119 SER N N 15 116 0.016 . 1 . . . . 221 SER N . 7292 1 538 . 1 1 120 120 GLU H H 1 8.216 0.0011 . 1 . . . . 222 GLU H . 7292 1 539 . 1 1 120 120 GLU C C 13 173.1 0 . 1 . . . . 222 GLU C . 7292 1 540 . 1 1 120 120 GLU CA C 13 53.96 0 . 1 . . . . 222 GLU CA . 7292 1 541 . 1 1 120 120 GLU CB C 13 29.42 0 . 1 . . . . 222 GLU CB . 7292 1 542 . 1 1 120 120 GLU N N 15 122.7 0.0071 . 1 . . . . 222 GLU N . 7292 1 543 . 1 1 121 121 PRO C C 13 175.6 0.007 . 1 . . . . 223 PRO C . 7292 1 544 . 1 1 121 121 PRO CA C 13 62.96 0 . 1 . . . . 223 PRO CA . 7292 1 545 . 1 1 121 121 PRO CB C 13 31.7 0 . 1 . . . . 223 PRO CB . 7292 1 546 . 1 1 122 122 THR H H 1 8.042 0.0057 . 1 . . . . 224 THR H . 7292 1 547 . 1 1 122 122 THR C C 13 172.7 0.014 . 1 . . . . 224 THR C . 7292 1 548 . 1 1 122 122 THR CA C 13 61.35 0.0597 . 1 . . . . 224 THR CA . 7292 1 549 . 1 1 122 122 THR CB C 13 69.37 0.0808 . 1 . . . . 224 THR CB . 7292 1 550 . 1 1 122 122 THR N N 15 113.2 0.0062 . 1 . . . . 224 THR N . 7292 1 551 . 1 1 123 123 ALA H H 1 8.131 0.0009 . 1 . . . . 225 ALA H . 7292 1 552 . 1 1 123 123 ALA C C 13 175.9 0.005 . 1 . . . . 225 ALA C . 7292 1 553 . 1 1 123 123 ALA CA C 13 51.95 0.0141 . 1 . . . . 225 ALA CA . 7292 1 554 . 1 1 123 123 ALA CB C 13 19.03 0.0356 . 1 . . . . 225 ALA CB . 7292 1 555 . 1 1 123 123 ALA N N 15 125.5 0.0339 . 1 . . . . 225 ALA N . 7292 1 556 . 1 1 124 124 SER H H 1 8.152 0.0016 . 1 . . . . 226 SER H . 7292 1 557 . 1 1 124 124 SER C C 13 172.5 0.0025 . 1 . . . . 226 SER C . 7292 1 558 . 1 1 124 124 SER CA C 13 57.74 0.041 . 1 . . . . 226 SER CA . 7292 1 559 . 1 1 124 124 SER CB C 13 63.36 0 . 1 . . . . 226 SER CB . 7292 1 560 . 1 1 124 124 SER N N 15 114.8 0.0154 . 1 . . . . 226 SER N . 7292 1 561 . 1 1 125 125 VAL H H 1 7.973 0.0022 . 1 . . . . 227 VAL H . 7292 1 562 . 1 1 125 125 VAL C C 13 172.4 0 . 1 . . . . 227 VAL C . 7292 1 563 . 1 1 125 125 VAL CA C 13 59.18 0 . 1 . . . . 227 VAL CA . 7292 1 564 . 1 1 125 125 VAL CB C 13 32.29 0 . 1 . . . . 227 VAL CB . 7292 1 565 . 1 1 125 125 VAL N N 15 122 0.0186 . 1 . . . . 227 VAL N . 7292 1 566 . 1 1 127 127 PRO C C 13 175.6 0.0065 . 1 . . . . 229 PRO C . 7292 1 567 . 1 1 127 127 PRO CA C 13 62.71 0.0259 . 1 . . . . 229 PRO CA . 7292 1 568 . 1 1 127 127 PRO CB C 13 31.56 0.023 . 1 . . . . 229 PRO CB . 7292 1 569 . 1 1 128 128 GLU H H 1 8.429 0.0005 . 1 . . . . 230 GLU H . 7292 1 570 . 1 1 128 128 GLU C C 13 175.1 0.0043 . 1 . . . . 230 GLU C . 7292 1 571 . 1 1 128 128 GLU CA C 13 56.55 0.0507 . 1 . . . . 230 GLU CA . 7292 1 572 . 1 1 128 128 GLU CB C 13 29.37 0.0295 . 1 . . . . 230 GLU CB . 7292 1 573 . 1 1 128 128 GLU N N 15 119 0.0041 . 1 . . . . 230 GLU N . 7292 1 574 . 1 1 129 129 SER H H 1 8.079 0.0033 . 1 . . . . 231 SER H . 7292 1 575 . 1 1 129 129 SER C C 13 173 0.0037 . 1 . . . . 231 SER C . 7292 1 576 . 1 1 129 129 SER CA C 13 58.02 0.0041 . 1 . . . . 231 SER CA . 7292 1 577 . 1 1 129 129 SER CB C 13 63.55 0.0311 . 1 . . . . 231 SER CB . 7292 1 578 . 1 1 129 129 SER N N 15 114.8 0.0037 . 1 . . . . 231 SER N . 7292 1 579 . 1 1 130 130 ASP H H 1 8.253 0.0008 . 1 . . . . 232 ASP H . 7292 1 580 . 1 1 130 130 ASP C C 13 175.5 0.0033 . 1 . . . . 232 ASP C . 7292 1 581 . 1 1 130 130 ASP CA C 13 54.61 0.0511 . 1 . . . . 232 ASP CA . 7292 1 582 . 1 1 130 130 ASP CB C 13 40.51 0.0034 . 1 . . . . 232 ASP CB . 7292 1 583 . 1 1 130 130 ASP N N 15 121.9 0.005 . 1 . . . . 232 ASP N . 7292 1 584 . 1 1 131 131 VAL H H 1 7.768 0.0007 . 1 . . . . 233 VAL H . 7292 1 585 . 1 1 131 131 VAL C C 13 175 0.0085 . 1 . . . . 233 VAL C . 7292 1 586 . 1 1 131 131 VAL CA C 13 63.48 0.0255 . 1 . . . . 233 VAL CA . 7292 1 587 . 1 1 131 131 VAL CB C 13 31.76 0.0242 . 1 . . . . 233 VAL CB . 7292 1 588 . 1 1 131 131 VAL N N 15 118.5 0.0176 . 1 . . . . 233 VAL N . 7292 1 589 . 1 1 132 132 TYR H H 1 7.857 0.001 . 1 . . . . 234 TYR H . 7292 1 590 . 1 1 132 132 TYR C C 13 175.2 0.0035 . 1 . . . . 234 TYR C . 7292 1 591 . 1 1 132 132 TYR CA C 13 58.96 0.0242 . 1 . . . . 234 TYR CA . 7292 1 592 . 1 1 132 132 TYR CB C 13 37.8 0.0103 . 1 . . . . 234 TYR CB . 7292 1 593 . 1 1 132 132 TYR N N 15 120.2 0.0104 . 1 . . . . 234 TYR N . 7292 1 594 . 1 1 133 133 ARG H H 1 7.797 0.0008 . 1 . . . . 235 ARG H . 7292 1 595 . 1 1 133 133 ARG C C 13 175.1 0.0175 . 1 . . . . 235 ARG C . 7292 1 596 . 1 1 133 133 ARG CA C 13 56.73 0.0338 . 1 . . . . 235 ARG CA . 7292 1 597 . 1 1 133 133 ARG CB C 13 30.13 0.0258 . 1 . . . . 235 ARG CB . 7292 1 598 . 1 1 133 133 ARG N N 15 120 0.0122 . 1 . . . . 235 ARG N . 7292 1 599 . 1 1 134 134 MET H H 1 7.945 0.0014 . 1 . . . . 236 MET H . 7292 1 600 . 1 1 134 134 MET C C 13 175.1 0.0014 . 1 . . . . 236 MET C . 7292 1 601 . 1 1 134 134 MET CA C 13 55.93 0.0119 . 1 . . . . 236 MET CA . 7292 1 602 . 1 1 134 134 MET CB C 13 32.21 0.0279 . 1 . . . . 236 MET CB . 7292 1 603 . 1 1 134 134 MET N N 15 118.4 0.0103 . 1 . . . . 236 MET N . 7292 1 604 . 1 1 135 135 LEU H H 1 7.837 0.0019 . 1 . . . . 237 LEU H . 7292 1 605 . 1 1 135 135 LEU C C 13 175.7 0.005 . 1 . . . . 237 LEU C . 7292 1 606 . 1 1 135 135 LEU CA C 13 55.06 0.0407 . 1 . . . . 237 LEU CA . 7292 1 607 . 1 1 135 135 LEU CB C 13 41.94 0.0161 . 1 . . . . 237 LEU CB . 7292 1 608 . 1 1 135 135 LEU N N 15 120.3 0.0088 . 1 . . . . 237 LEU N . 7292 1 609 . 1 1 136 136 HIS H H 1 7.962 0.0005 . 1 . . . . 238 HIS H . 7292 1 610 . 1 1 136 136 HIS C C 13 172.9 0.005 . 1 . . . . 238 HIS C . 7292 1 611 . 1 1 136 136 HIS CA C 13 55.41 0.0172 . 1 . . . . 238 HIS CA . 7292 1 612 . 1 1 136 136 HIS CB C 13 29.43 0.0161 . 1 . . . . 238 HIS CB . 7292 1 613 . 1 1 136 136 HIS N N 15 117.2 0.0095 . 1 . . . . 238 HIS N . 7292 1 614 . 1 1 137 137 ASP H H 1 8.083 0.0016 . 1 . . . . 239 ASP H . 7292 1 615 . 1 1 137 137 ASP C C 13 174.4 0.0046 . 1 . . . . 239 ASP C . 7292 1 616 . 1 1 137 137 ASP CA C 13 53.88 0.0005 . 1 . . . . 239 ASP CA . 7292 1 617 . 1 1 137 137 ASP CB C 13 40.77 0.0184 . 1 . . . . 239 ASP CB . 7292 1 618 . 1 1 137 137 ASP N N 15 120.4 0.0159 . 1 . . . . 239 ASP N . 7292 1 619 . 1 1 138 138 ASN H H 1 8.272 0.0015 . 1 . . . . 240 ASN H . 7292 1 620 . 1 1 138 138 ASN C C 13 173.9 0.0048 . 1 . . . . 240 ASN C . 7292 1 621 . 1 1 138 138 ASN CA C 13 52.91 0.0302 . 1 . . . . 240 ASN CA . 7292 1 622 . 1 1 138 138 ASN CB C 13 38.24 0.0148 . 1 . . . . 240 ASN CB . 7292 1 623 . 1 1 138 138 ASN N N 15 118.7 0.015 . 1 . . . . 240 ASN N . 7292 1 624 . 1 1 139 139 ARG H H 1 8.103 0.0669 . 1 . . . . 241 ARG H . 7292 1 625 . 1 1 139 139 ARG C C 13 174.6 0.0054 . 1 . . . . 241 ARG C . 7292 1 626 . 1 1 139 139 ARG CA C 13 56.16 0.0124 . 1 . . . . 241 ARG CA . 7292 1 627 . 1 1 139 139 ARG CB C 13 30.05 0.0274 . 1 . . . . 241 ARG CB . 7292 1 628 . 1 1 139 139 ARG N N 15 119.8 0.4245 . 1 . . . . 241 ARG N . 7292 1 629 . 1 1 140 140 ASN H H 1 8.25 0.0011 . 1 . . . . 242 ASN H . 7292 1 630 . 1 1 140 140 ASN C C 13 173.1 0.0034 . 1 . . . . 242 ASN C . 7292 1 631 . 1 1 140 140 ASN CA C 13 52.64 0.0024 . 1 . . . . 242 ASN CA . 7292 1 632 . 1 1 140 140 ASN CB C 13 38.59 0.0053 . 1 . . . . 242 ASN CB . 7292 1 633 . 1 1 140 140 ASN N N 15 117.7 0.0164 . 1 . . . . 242 ASN N . 7292 1 634 . 1 1 141 141 GLU H H 1 8.026 0.0022 . 1 . . . . 243 GLU H . 7292 1 635 . 1 1 141 141 GLU C C 13 173 0 . 1 . . . . 243 GLU C . 7292 1 636 . 1 1 141 141 GLU CA C 13 53.88 0 . 1 . . . . 243 GLU CA . 7292 1 637 . 1 1 141 141 GLU CB C 13 29.43 0 . 1 . . . . 243 GLU CB . 7292 1 638 . 1 1 141 141 GLU N N 15 121.1 0.0284 . 1 . . . . 243 GLU N . 7292 1 639 . 1 1 142 142 PRO C C 13 175.5 0.0052 . 1 . . . . 244 PRO C . 7292 1 640 . 1 1 142 142 PRO CA C 13 62.78 0 . 1 . . . . 244 PRO CA . 7292 1 641 . 1 1 142 142 PRO CB C 13 31.67 0.0175 . 1 . . . . 244 PRO CB . 7292 1 642 . 1 1 143 143 THR H H 1 8.057 0.0033 . 1 . . . . 245 THR H . 7292 1 643 . 1 1 143 143 THR C C 13 172.8 0.0045 . 1 . . . . 245 THR C . 7292 1 644 . 1 1 143 143 THR CA C 13 61.47 0.0398 . 1 . . . . 245 THR CA . 7292 1 645 . 1 1 143 143 THR CB C 13 69.31 0.0045 . 1 . . . . 245 THR CB . 7292 1 646 . 1 1 143 143 THR N N 15 113.1 0.0068 . 1 . . . . 245 THR N . 7292 1 647 . 1 1 144 144 GLN H H 1 8.136 0.0011 . 1 . . . . 246 GLN H . 7292 1 648 . 1 1 144 144 GLN C C 13 172.3 0 . 1 . . . . 246 GLN C . 7292 1 649 . 1 1 144 144 GLN CA C 13 53.11 0 . 1 . . . . 246 GLN CA . 7292 1 650 . 1 1 144 144 GLN CB C 13 28.63 0 . 1 . . . . 246 GLN CB . 7292 1 651 . 1 1 144 144 GLN N N 15 122.5 0.0033 . 1 . . . . 246 GLN N . 7292 1 652 . 1 1 145 145 PRO C C 13 175.3 0.004 . 1 . . . . 247 PRO C . 7292 1 653 . 1 1 145 145 PRO CA C 13 62.62 0.0025 . 1 . . . . 247 PRO CA . 7292 1 654 . 1 1 145 145 PRO CB C 13 31.68 0 . 1 . . . . 247 PRO CB . 7292 1 655 . 1 1 146 146 ARG H H 1 8.317 0.0012 . 1 . . . . 248 ARG H . 7292 1 656 . 1 1 146 146 ARG C C 13 174.8 0.0047 . 1 . . . . 248 ARG C . 7292 1 657 . 1 1 146 146 ARG CA C 13 55.66 0.0067 . 1 . . . . 248 ARG CA . 7292 1 658 . 1 1 146 146 ARG CB C 13 30.4 0.0131 . 1 . . . . 248 ARG CB . 7292 1 659 . 1 1 146 146 ARG N N 15 120.3 0.0084 . 1 . . . . 248 ARG N . 7292 1 660 . 1 1 147 147 GLN H H 1 8.328 0.0008 . 1 . . . . 249 GLN H . 7292 1 661 . 1 1 147 147 GLN C C 13 174.4 0.0041 . 1 . . . . 249 GLN C . 7292 1 662 . 1 1 147 147 GLN CA C 13 55.25 0.0098 . 1 . . . . 249 GLN CA . 7292 1 663 . 1 1 147 147 GLN CB C 13 29.13 0.0201 . 1 . . . . 249 GLN CB . 7292 1 664 . 1 1 147 147 GLN N N 15 120.6 0.0927 . 1 . . . . 249 GLN N . 7292 1 665 . 1 1 148 148 SER H H 1 8.292 0.0012 . 1 . . . . 250 SER H . 7292 1 666 . 1 1 148 148 SER C C 13 173.4 0.0054 . 1 . . . . 250 SER C . 7292 1 667 . 1 1 148 148 SER CA C 13 58.06 0.0555 . 1 . . . . 250 SER CA . 7292 1 668 . 1 1 148 148 SER CB C 13 63.48 0.0102 . 1 . . . . 250 SER CB . 7292 1 669 . 1 1 148 148 SER N N 15 116.4 0.0214 . 1 . . . . 250 SER N . 7292 1 670 . 1 1 149 149 GLY H H 1 8.34 0.0036 . 1 . . . . 251 GLY H . 7292 1 671 . 1 1 149 149 GLY C C 13 172.6 0.0086 . 1 . . . . 251 GLY C . 7292 1 672 . 1 1 149 149 GLY CA C 13 45.02 0.0137 . 1 . . . . 251 GLY CA . 7292 1 673 . 1 1 149 149 GLY N N 15 109.9 0.0066 . 1 . . . . 251 GLY N . 7292 1 674 . 1 1 150 150 SER H H 1 8.013 0.0021 . 1 . . . . 252 SER H . 7292 1 675 . 1 1 150 150 SER C C 13 172.6 0.0373 . 1 . . . . 252 SER C . 7292 1 676 . 1 1 150 150 SER CA C 13 57.86 0.052 . 1 . . . . 252 SER CA . 7292 1 677 . 1 1 150 150 SER CB C 13 63.32 0.0314 . 1 . . . . 252 SER CB . 7292 1 678 . 1 1 150 150 SER N N 15 114.5 0.0129 . 1 . . . . 252 SER N . 7292 1 679 . 1 1 151 151 PHE H H 1 8.041 0.0006 . 1 . . . . 253 PHE H . 7292 1 680 . 1 1 151 151 PHE C C 13 173.8 0.0037 . 1 . . . . 253 PHE C . 7292 1 681 . 1 1 151 151 PHE CA C 13 57.5 0.0172 . 1 . . . . 253 PHE CA . 7292 1 682 . 1 1 151 151 PHE CB C 13 39.1 0.0123 . 1 . . . . 253 PHE CB . 7292 1 683 . 1 1 151 151 PHE N N 15 121 0.007 . 1 . . . . 253 PHE N . 7292 1 684 . 1 1 152 152 ARG H H 1 7.976 0.0013 . 1 . . . . 254 ARG H . 7292 1 685 . 1 1 152 152 ARG C C 13 174.2 0.0049 . 1 . . . . 254 ARG C . 7292 1 686 . 1 1 152 152 ARG CA C 13 55.67 0.0311 . 1 . . . . 254 ARG CA . 7292 1 687 . 1 1 152 152 ARG CB C 13 30.59 0.0356 . 1 . . . . 254 ARG CB . 7292 1 688 . 1 1 152 152 ARG N N 15 121.6 0.0232 . 1 . . . . 254 ARG N . 7292 1 689 . 1 1 153 153 VAL H H 1 7.959 0.0008 . 1 . . . . 255 VAL H . 7292 1 690 . 1 1 153 153 VAL C C 13 174.6 0.009 . 1 . . . . 255 VAL C . 7292 1 691 . 1 1 153 153 VAL CA C 13 62.15 0.0316 . 1 . . . . 255 VAL CA . 7292 1 692 . 1 1 153 153 VAL CB C 13 32.19 0.0135 . 1 . . . . 255 VAL CB . 7292 1 693 . 1 1 153 153 VAL N N 15 120.7 0.0154 . 1 . . . . 255 VAL N . 7292 1 694 . 1 1 154 154 LEU H H 1 8.14 0.0004 . 1 . . . . 256 LEU H . 7292 1 695 . 1 1 154 154 LEU C C 13 175.6 0.0063 . 1 . . . . 256 LEU C . 7292 1 696 . 1 1 154 154 LEU CA C 13 54.68 0.0083 . 1 . . . . 256 LEU CA . 7292 1 697 . 1 1 154 154 LEU CB C 13 41.83 0.0139 . 1 . . . . 256 LEU CB . 7292 1 698 . 1 1 154 154 LEU N N 15 124.9 0.0076 . 1 . . . . 256 LEU N . 7292 1 699 . 1 1 155 155 GLN H H 1 8.167 0.0004 . 1 . . . . 257 GLN H . 7292 1 700 . 1 1 155 155 GLN C C 13 174.7 0.0062 . 1 . . . . 257 GLN C . 7292 1 701 . 1 1 155 155 GLN CA C 13 55.58 0.0352 . 1 . . . . 257 GLN CA . 7292 1 702 . 1 1 155 155 GLN CB C 13 28.99 0.0105 . 1 . . . . 257 GLN CB . 7292 1 703 . 1 1 155 155 GLN N N 15 119.9 0.0249 . 1 . . . . 257 GLN N . 7292 1 704 . 1 1 156 156 GLY H H 1 8.261 0.0005 . 1 . . . . 258 GLY H . 7292 1 705 . 1 1 156 156 GLY C C 13 172.3 0.0046 . 1 . . . . 258 GLY C . 7292 1 706 . 1 1 156 156 GLY CA C 13 44.85 0.046 . 1 . . . . 258 GLY CA . 7292 1 707 . 1 1 156 156 GLY N N 15 109 0.0062 . 1 . . . . 258 GLY N . 7292 1 708 . 1 1 157 157 MET H H 1 8.011 0.0005 . 1 . . . . 259 MET H . 7292 1 709 . 1 1 157 157 MET C C 13 174.5 0.0095 . 1 . . . . 259 MET C . 7292 1 710 . 1 1 157 157 MET CA C 13 55.03 0.056 . 1 . . . . 259 MET CA . 7292 1 711 . 1 1 157 157 MET CB C 13 32.69 0.0203 . 1 . . . . 259 MET CB . 7292 1 712 . 1 1 157 157 MET N N 15 118.8 0.0045 . 1 . . . . 259 MET N . 7292 1 713 . 1 1 158 158 VAL H H 1 8.015 0.0449 . 1 . . . . 260 VAL H . 7292 1 714 . 1 1 158 158 VAL C C 13 174.1 0.0046 . 1 . . . . 260 VAL C . 7292 1 715 . 1 1 158 158 VAL CA C 13 61.69 0.0258 . 1 . . . . 260 VAL CA . 7292 1 716 . 1 1 158 158 VAL CB C 13 32.63 0.0377 . 1 . . . . 260 VAL CB . 7292 1 717 . 1 1 158 158 VAL N N 15 119.8 0.0058 . 1 . . . . 260 VAL N . 7292 1 718 . 1 1 159 159 ASP H H 1 8.297 0.0003 . 1 . . . . 261 ASP H . 7292 1 719 . 1 1 159 159 ASP C C 13 174.3 0.0028 . 1 . . . . 261 ASP C . 7292 1 720 . 1 1 159 159 ASP CA C 13 53.63 0.0041 . 1 . . . . 261 ASP CA . 7292 1 721 . 1 1 159 159 ASP CB C 13 40.89 0.0908 . 1 . . . . 261 ASP CB . 7292 1 722 . 1 1 159 159 ASP N N 15 123.3 0.0037 . 1 . . . . 261 ASP N . 7292 1 723 . 1 1 160 160 ASP H H 1 8.152 0.0011 . 1 . . . . 262 ASP H . 7292 1 724 . 1 1 160 160 ASP C C 13 175.6 0.0052 . 1 . . . . 262 ASP C . 7292 1 725 . 1 1 160 160 ASP CA C 13 53.68 0.0082 . 1 . . . . 262 ASP CA . 7292 1 726 . 1 1 160 160 ASP CB C 13 40.71 0.0374 . 1 . . . . 262 ASP CB . 7292 1 727 . 1 1 160 160 ASP N N 15 121 0.0137 . 1 . . . . 262 ASP N . 7292 1 728 . 1 1 161 161 GLY H H 1 8.4 0.0006 . 1 . . . . 263 GLY H . 7292 1 729 . 1 1 161 161 GLY C C 13 173.2 0.0054 . 1 . . . . 263 GLY C . 7292 1 730 . 1 1 161 161 GLY CA C 13 45.18 0.0474 . 1 . . . . 263 GLY CA . 7292 1 731 . 1 1 161 161 GLY N N 15 108.5 0.006 . 1 . . . . 263 GLY N . 7292 1 732 . 1 1 162 162 SER H H 1 8.05 0.0005 . 1 . . . . 264 SER H . 7292 1 733 . 1 1 162 162 SER C C 13 172.9 0.0031 . 1 . . . . 264 SER C . 7292 1 734 . 1 1 162 162 SER CA C 13 58.42 0.0423 . 1 . . . . 264 SER CA . 7292 1 735 . 1 1 162 162 SER CB C 13 63.47 0.009 . 1 . . . . 264 SER CB . 7292 1 736 . 1 1 162 162 SER N N 15 114.7 0.0401 . 1 . . . . 264 SER N . 7292 1 737 . 1 1 163 163 ASP H H 1 8.3 0.0004 . 1 . . . . 265 ASP H . 7292 1 738 . 1 1 163 163 ASP C C 13 174.2 0.0106 . 1 . . . . 265 ASP C . 7292 1 739 . 1 1 163 163 ASP CA C 13 53.96 0.0254 . 1 . . . . 265 ASP CA . 7292 1 740 . 1 1 163 163 ASP CB C 13 40.68 0.082 . 1 . . . . 265 ASP CB . 7292 1 741 . 1 1 163 163 ASP N N 15 121.1 0.005 . 1 . . . . 265 ASP N . 7292 1 742 . 1 1 164 164 ASP H H 1 8.076 0.0011 . 1 . . . . 266 ASP H . 7292 1 743 . 1 1 164 164 ASP C C 13 174.3 0.0014 . 1 . . . . 266 ASP C . 7292 1 744 . 1 1 164 164 ASP CA C 13 53.64 0.0557 . 1 . . . . 266 ASP CA . 7292 1 745 . 1 1 164 164 ASP CB C 13 40.54 0.0178 . 1 . . . . 266 ASP CB . 7292 1 746 . 1 1 164 164 ASP N N 15 119.7 0.0175 . 1 . . . . 266 ASP N . 7292 1 747 . 1 1 165 165 ARG H H 1 7.915 0.0004 . 1 . . . . 267 ARG H . 7292 1 748 . 1 1 165 165 ARG C C 13 172.6 0 . 1 . . . . 267 ARG C . 7292 1 749 . 1 1 165 165 ARG CA C 13 53.63 0 . 1 . . . . 267 ARG CA . 7292 1 750 . 1 1 165 165 ARG CB C 13 29.69 0 . 1 . . . . 267 ARG CB . 7292 1 751 . 1 1 165 165 ARG N N 15 120.7 0.0038 . 1 . . . . 267 ARG N . 7292 1 752 . 1 1 166 166 PRO C C 13 175.4 0.0055 . 1 . . . . 268 PRO C . 7292 1 753 . 1 1 166 166 PRO CA C 13 62.69 0.0295 . 1 . . . . 268 PRO CA . 7292 1 754 . 1 1 166 166 PRO CB C 13 31.61 0.0175 . 1 . . . . 268 PRO CB . 7292 1 755 . 1 1 167 167 ALA H H 1 8.39 0.0003 . 1 . . . . 269 ALA H . 7292 1 756 . 1 1 167 167 ALA C C 13 176.9 0.0068 . 1 . . . . 269 ALA C . 7292 1 757 . 1 1 167 167 ALA CA C 13 52.39 0.0029 . 1 . . . . 269 ALA CA . 7292 1 758 . 1 1 167 167 ALA CB C 13 18.75 0.0368 . 1 . . . . 269 ALA CB . 7292 1 759 . 1 1 167 167 ALA N N 15 123.9 0.008 . 1 . . . . 269 ALA N . 7292 1 760 . 1 1 168 168 GLY H H 1 8.292 0.0005 . 1 . . . . 270 GLY H . 7292 1 761 . 1 1 168 168 GLY C C 13 172.8 0.0053 . 1 . . . . 270 GLY C . 7292 1 762 . 1 1 168 168 GLY CA C 13 44.84 0.0057 . 1 . . . . 270 GLY CA . 7292 1 763 . 1 1 168 168 GLY N N 15 107.1 0.011 . 1 . . . . 270 GLY N . 7292 1 764 . 1 1 169 169 THR H H 1 7.874 0.0005 . 1 . . . . 271 THR H . 7292 1 765 . 1 1 169 169 THR C C 13 172.9 0.0033 . 1 . . . . 271 THR C . 7292 1 766 . 1 1 169 169 THR CA C 13 61.5 0.048 . 1 . . . . 271 THR CA . 7292 1 767 . 1 1 169 169 THR CB C 13 69.48 0.0059 . 1 . . . . 271 THR CB . 7292 1 768 . 1 1 169 169 THR N N 15 112.6 0.0067 . 1 . . . . 271 THR N . 7292 1 769 . 1 1 170 170 ARG H H 1 8.252 0.0006 . 1 . . . . 272 ARG H . 7292 1 770 . 1 1 170 170 ARG C C 13 173.8 0.0043 . 1 . . . . 272 ARG C . 7292 1 771 . 1 1 170 170 ARG CA C 13 55.55 0.0556 . 1 . . . . 272 ARG CA . 7292 1 772 . 1 1 170 170 ARG CB C 13 30.49 0.0075 . 1 . . . . 272 ARG CB . 7292 1 773 . 1 1 170 170 ARG N N 15 123 0.0073 . 1 . . . . 272 ARG N . 7292 1 774 . 1 1 171 171 SER H H 1 7.864 0.0005 . 1 . . . . 273 SER H . 7292 1 775 . 1 1 171 171 SER C C 13 177 0 . 1 . . . . 273 SER C . 7292 1 776 . 1 1 171 171 SER CA C 13 59.46 0 . 1 . . . . 273 SER CA . 7292 1 777 . 1 1 171 171 SER CB C 13 64.37 0 . 1 . . . . 273 SER CB . 7292 1 778 . 1 1 171 171 SER N N 15 122 0.0084 . 1 . . . . 273 SER N . 7292 1 stop_ save_