data_18941 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18941 _Entry.Title ; Backbone 1H, 13C, and 15N chemical shift assignments for the LFA-1 wild type I-domain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2013-01-07 _Entry.Accession_date 2013-01-07 _Entry.Last_release_date 2013-01-24 _Entry.Original_release_date 2013-01-24 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Tahl Zimmerman . . . 18941 2 Francisco Blanco . J. . 18941 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18941 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 447 18941 '15N chemical shifts' 175 18941 '1H chemical shifts' 305 18941 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2013-01-24 2013-01-07 original author . 18941 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 18941 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.1111/j.1747-0285.2007.00566.x _Citation.PubMed_ID 17868072 _Citation.Full_citation . _Citation.Title 'ICAM-1 peptide inhibitors of T-cell adhesion bind to the allosteric site of LFA-1. An NMR characterization' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Chem. Biol. Drug Design' _Citation.Journal_name_full . _Citation.Journal_volume 70 _Citation.Journal_issue 4 _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 347 _Citation.Page_last 353 _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 Tahl Zimmerman . . . 18941 1 2 Julen Oyarzabal . . . 18941 1 3 Eider San-Sebastian . S. . 18941 1 4 Sumit Majumdar . . . 18941 1 5 Bimo Tejo . A. . 18941 1 6 Teruna Siahaan . J. . 18941 1 7 Francisco Blanco . J. . 18941 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID allosteric 18941 1 inhibitor 18941 1 LFA-1 18941 1 NMR 18941 1 peptide 18941 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18941 _Assembly.ID 1 _Assembly.Name 'LFA-1 I-Domain' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'LFA-1 I-domain' 1 $LFA-1_I-domain A . yes native no no . . . 18941 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_LFA-1_I-domain _Entity.Sf_category entity _Entity.Sf_framecode LFA-1_I-domain _Entity.Entry_ID 18941 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name LFA-1_I-domain _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 ; MGNVDLVFLFDGSMSLQPDE FQKILDFMKDVMKKLSNTSY QFAAVQFSTSYKTEFDFSDY VKRKDPDALLKHVKHMLLLT NTFGAINYVATEVFREELGA RPDATKVLIIITDGEATDSG NIDAAKDIIRYIIGIGKHFQ TKESQETLHKFASKPASEFV KILDTFEKLKDLFTELQKKI Y ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq '127, M' _Entity.Polymer_author_seq_details 'Residues 127-128 come from the cloning and do not belong to the native protein' _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 181 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment 'LFA-1 I domain' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 20682.7 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details ; This is the inserted domain of the human alfa-L chain chain of LFA-1 (UNIPROT P20701), and the numbering used ignores the signal sequence (residues 1-26 in the unprocessed polypeptide). ; _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 yes UNP P20701 . LFA-1A . . . . . . . . . . . . . . 18941 1 2 yes PIR S03308 . "LFA-1 alpha chain" . . . . . . . . . . . . . . 18941 1 3 no BMRB 4553 . "Leukocyte Function Associated Antigen-1 Inserted-Domain" . . . . . 99.45 189 99.44 99.44 8.81e-125 . . . . 18941 1 4 no PDB 1CQP . "Crystal Structure Analysis Of The Complex Lfa-1 (cd11a) I-domain / Lovastatin At 2.6 A Resolution" . . . . . 99.45 182 99.44 99.44 1.58e-124 . . . . 18941 1 5 no PDB 1DGQ . "Nmr Solution Structure Of The Inserted Domain Of Human Leukocyte Function Associated Antigen-1" . . . . . 99.45 188 99.44 99.44 1.47e-124 . . . . 18941 1 6 no PDB 1LFA . "Cd11a I-Domain With Bound Mn++" . . . . . 99.45 187 100.00 100.00 9.54e-126 . . . . 18941 1 7 no PDB 1MJN . "Crystal Structure Of The Intermediate Affinity Al I Domain M" . . . . . 98.90 179 98.88 98.88 3.18e-123 . . . . 18941 1 8 no PDB 1MQ8 . "Crystal Structure Of Alphal I Domain In Complex With Icam-1" . . . . . 97.79 177 98.87 98.87 2.46e-121 . . . . 18941 1 9 no PDB 1MQ9 . "Crystal Structure Of High Affinity Alphal I Domain With Ligand Mimetic Crystal Contact" . . . . . 99.45 180 98.89 98.89 6.47e-124 . . . . 18941 1 10 no PDB 1MQA . "Crystal Structure Of High Affinity Alphal I Domain In The Absence Of Ligand Or Metal" . . . . . 99.45 180 98.89 98.89 6.47e-124 . . . . 18941 1 11 no PDB 1RD4 . "An Allosteric Inhibitor Of Lfa-1 Bound To Its I-Domain" . . . . . 99.45 191 100.00 100.00 1.02e-125 . . . . 18941 1 12 no PDB 1T0P . "Structural Basis Of Icam Recognition By Integrin Alpahlbeta2 Revealed In The Complex Structure Of Binding Domains Of Icam-3 And" . . . . . 96.69 175 98.29 98.29 3.32e-119 . . . . 18941 1 13 no PDB 1XDD . "X-ray Structure Of Lfa-1 I-domain In Complex With Lfa703 At 2.2a Resolution" . . . . . 99.45 188 99.44 99.44 1.47e-124 . . . . 18941 1 14 no PDB 1XDG . "X-ray Structure Of Lfa-1 I-domain In Complex With Lfa878 At 2.1a Resolution" . . . . . 99.45 188 99.44 99.44 1.47e-124 . . . . 18941 1 15 no PDB 1XUO . "X-ray Structure Of Lfa-1 I-domain Bound To A 1,4-diazepane- 2,5-dione Inhibitor At 1.8a Resolution" . . . . . 99.45 188 99.44 99.44 1.47e-124 . . . . 18941 1 16 no PDB 1ZON . "Cd11a I-Domain Without Bound Cation" . . . . . 99.45 187 100.00 100.00 9.54e-126 . . . . 18941 1 17 no PDB 1ZOO . "Cd11a I-Domain With Bound Magnesium Ion" . . . . . 99.45 187 100.00 100.00 9.54e-126 . . . . 18941 1 18 no PDB 1ZOP . "Cd11a I-Domain With Bound Magnesium Ion" . . . . . 99.45 187 100.00 100.00 9.54e-126 . . . . 18941 1 19 no PDB 2ICA . "Cd11a (Lfa1) I-Domain Complexed With Bms-587101 Aka 5-[(5s, 9r)-9-(4-Cyanophenyl)-3-(3,5-Dichlorophenyl)-1-Methyl-2,4- Dioxo-1," . . . . . 98.90 183 100.00 100.00 1.32e-124 . . . . 18941 1 20 no PDB 2O7N . "Cd11a (Lfa1) I-Domain Complexed With 7a-[(4-Cyanophenyl) Methyl]-6-(3,5-Dichlorophenyl)-5-Oxo-2,3,5,7a-Tetrahydro- 1h-Pyrrolo[1" . . . . . 98.90 183 100.00 100.00 1.32e-124 . . . . 18941 1 21 no PDB 3BN3 . "Crystal Structure Of Icam-5 In Complex With Al I Domain" . . . . . 98.90 180 98.32 98.32 3.87e-121 . . . . 18941 1 22 no PDB 3BQM . "Lfa-1 I Domain Bound To Inhibitors" . . . . . 99.45 182 99.44 99.44 1.58e-124 . . . . 18941 1 23 no PDB 3BQN . "Lfa-1 I Domain Bound To Inhibitors" . . . . . 99.45 182 99.44 99.44 1.58e-124 . . . . 18941 1 24 no PDB 3E2M . "Lfa-1 I Domain Bound To Inhibitors" . . . . . 99.45 185 99.44 99.44 1.32e-124 . . . . 18941 1 25 no PDB 3EOA . "Crystal Structure The Fab Fragment Of Efalizumab In Complex With Lfa-1 I Domain, Form I" . . . . . 99.45 181 100.00 100.00 1.13e-125 . . . . 18941 1 26 no PDB 3EOB . "Crystal Structure The Fab Fragment Of Efalizumab In Complex With Lfa-1 I Domain, Form Ii" . . . . . 99.45 181 100.00 100.00 1.13e-125 . . . . 18941 1 27 no PDB 3F74 . "Crystal Structure Of Wild Type Lfa1 I Domain" . . . . . 100.00 181 99.45 99.45 1.54e-125 . . . . 18941 1 28 no PDB 3F78 . "Crystal Structure Of Wild Type Lfa1 I Domain Complexed With Isoflurane" . . . . . 100.00 181 99.45 99.45 1.54e-125 . . . . 18941 1 29 no PDB 3HI6 . "Crystal Structure Of Intermediate Affinity I Domain Of Integrin Lfa-1 With The Fab Fragment Of Its Antibody Al-57" . . . . . 99.45 180 98.33 98.33 3.52e-123 . . . . 18941 1 30 no PDB 3M6F . "Cd11a I-Domain Complexed With 6-((5s,9r)-9-(4-Cyanophenyl)-3 Dichlorophenyl)-1-Methyl-2,4-Dioxo-1,3,7- Triazaspiro[4.4]n Nicoti" . . . . . 98.90 183 100.00 100.00 1.32e-124 . . . . 18941 1 31 no PDB 3TCX . "Structure Of Engineered Single Domain Icam-1 D1 With High-affinity Al Integrin I Domain Of Native C-terminal Helix Conformation" . . . . . 98.90 180 98.88 98.88 1.81e-122 . . . . 18941 1 32 no PDB 4IXD . "X-ray Structure Of Lfa-1 I-domain In Complex With Ibe-667 At 1.8a Resolution" . . . . . 99.45 188 99.44 99.44 1.47e-124 . . . . 18941 1 33 no DBJ BAG36913 . "unnamed protein product [Homo sapiens]" . . . . . 99.45 1170 100.00 100.00 2.94e-118 . . . . 18941 1 34 no EMBL CAA68747 . "unnamed protein product [Homo sapiens]" . . . . . 99.45 1170 99.44 99.44 5.06e-117 . . . . 18941 1 35 no GB AAC31672 . "leukocyte function-associated molecule-1 alpha subunit [Homo sapiens]" . . . . . 99.45 1223 99.44 99.44 4.07e-117 . . . . 18941 1 36 no GB AAQ14923 . "leukocyte-associated molecule-1 alpha subunit [Pan troglodytes]" . . . . . 99.45 1170 100.00 100.00 2.18e-118 . . . . 18941 1 37 no GB AAZ38713 . "integrin, alpha L (antigen CD11A (p180), lymphocyte function-associated antigen 1; alpha polypeptide) [Homo sapiens]" . . . . . 99.45 1170 100.00 100.00 2.94e-118 . . . . 18941 1 38 no GB EAW52244 . "integrin, alpha L (antigen CD11A (p180), lymphocyte function-associated antigen 1; alpha polypeptide), isoform CRA_b [Homo sapi" . . . . . 99.45 1223 100.00 100.00 2.14e-118 . . . . 18941 1 39 no GB EAW52245 . "integrin, alpha L (antigen CD11A (p180), lymphocyte function-associated antigen 1; alpha polypeptide), isoform CRA_c [Homo sapi" . . . . . 99.45 1170 100.00 100.00 2.94e-118 . . . . 18941 1 40 no REF NP_001029341 . "integrin alpha-L [Pan troglodytes]" . . . . . 99.45 1170 100.00 100.00 2.18e-118 . . . . 18941 1 41 no REF NP_002200 . "integrin alpha-L isoform a precursor [Homo sapiens]" . . . . . 99.45 1170 100.00 100.00 2.94e-118 . . . . 18941 1 42 no REF XP_001100800 . "PREDICTED: integrin alpha-L [Macaca mulatta]" . . . . . 99.45 843 97.78 99.44 1.01e-118 . . . . 18941 1 43 no REF XP_004057549 . "PREDICTED: integrin alpha-L isoform 1 [Gorilla gorilla gorilla]" . . . . . 99.45 1170 100.00 100.00 2.18e-118 . . . . 18941 1 44 no REF XP_005255370 . "PREDICTED: integrin alpha-L isoform X1 [Homo sapiens]" . . . . . 99.45 1169 100.00 100.00 2.90e-118 . . . . 18941 1 45 no SP P20701 . "RecName: Full=Integrin alpha-L; AltName: Full=CD11 antigen-like family member A; AltName: Full=Leukocyte adhesion glycoprotein " . . . . . 99.45 1170 100.00 100.00 2.94e-118 . . . . 18941 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Lymphocyte adhesion' 18941 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 1 127 MET . 18941 1 2 128 GLY . 18941 1 3 129 ASN . 18941 1 4 130 VAL . 18941 1 5 131 ASP . 18941 1 6 132 LEU . 18941 1 7 133 VAL . 18941 1 8 134 PHE . 18941 1 9 135 LEU . 18941 1 10 136 PHE . 18941 1 11 137 ASP . 18941 1 12 138 GLY . 18941 1 13 139 SER . 18941 1 14 140 MET . 18941 1 15 141 SER . 18941 1 16 142 LEU . 18941 1 17 143 GLN . 18941 1 18 144 PRO . 18941 1 19 145 ASP . 18941 1 20 146 GLU . 18941 1 21 147 PHE . 18941 1 22 148 GLN . 18941 1 23 149 LYS . 18941 1 24 150 ILE . 18941 1 25 151 LEU . 18941 1 26 152 ASP . 18941 1 27 153 PHE . 18941 1 28 154 MET . 18941 1 29 155 LYS . 18941 1 30 156 ASP . 18941 1 31 157 VAL . 18941 1 32 158 MET . 18941 1 33 159 LYS . 18941 1 34 160 LYS . 18941 1 35 161 LEU . 18941 1 36 162 SER . 18941 1 37 163 ASN . 18941 1 38 164 THR . 18941 1 39 165 SER . 18941 1 40 166 TYR . 18941 1 41 167 GLN . 18941 1 42 168 PHE . 18941 1 43 169 ALA . 18941 1 44 170 ALA . 18941 1 45 171 VAL . 18941 1 46 172 GLN . 18941 1 47 173 PHE . 18941 1 48 174 SER . 18941 1 49 175 THR . 18941 1 50 176 SER . 18941 1 51 177 TYR . 18941 1 52 178 LYS . 18941 1 53 179 THR . 18941 1 54 180 GLU . 18941 1 55 181 PHE . 18941 1 56 182 ASP . 18941 1 57 183 PHE . 18941 1 58 184 SER . 18941 1 59 185 ASP . 18941 1 60 186 TYR . 18941 1 61 187 VAL . 18941 1 62 188 LYS . 18941 1 63 189 ARG . 18941 1 64 190 LYS . 18941 1 65 191 ASP . 18941 1 66 192 PRO . 18941 1 67 193 ASP . 18941 1 68 194 ALA . 18941 1 69 195 LEU . 18941 1 70 196 LEU . 18941 1 71 197 LYS . 18941 1 72 198 HIS . 18941 1 73 199 VAL . 18941 1 74 200 LYS . 18941 1 75 201 HIS . 18941 1 76 202 MET . 18941 1 77 203 LEU . 18941 1 78 204 LEU . 18941 1 79 205 LEU . 18941 1 80 206 THR . 18941 1 81 207 ASN . 18941 1 82 208 THR . 18941 1 83 209 PHE . 18941 1 84 210 GLY . 18941 1 85 211 ALA . 18941 1 86 212 ILE . 18941 1 87 213 ASN . 18941 1 88 214 TYR . 18941 1 89 215 VAL . 18941 1 90 216 ALA . 18941 1 91 217 THR . 18941 1 92 218 GLU . 18941 1 93 219 VAL . 18941 1 94 220 PHE . 18941 1 95 221 ARG . 18941 1 96 222 GLU . 18941 1 97 223 GLU . 18941 1 98 224 LEU . 18941 1 99 225 GLY . 18941 1 100 226 ALA . 18941 1 101 227 ARG . 18941 1 102 228 PRO . 18941 1 103 229 ASP . 18941 1 104 230 ALA . 18941 1 105 231 THR . 18941 1 106 232 LYS . 18941 1 107 233 VAL . 18941 1 108 234 LEU . 18941 1 109 235 ILE . 18941 1 110 236 ILE . 18941 1 111 237 ILE . 18941 1 112 238 THR . 18941 1 113 239 ASP . 18941 1 114 240 GLY . 18941 1 115 241 GLU . 18941 1 116 242 ALA . 18941 1 117 243 THR . 18941 1 118 244 ASP . 18941 1 119 245 SER . 18941 1 120 246 GLY . 18941 1 121 247 ASN . 18941 1 122 248 ILE . 18941 1 123 249 ASP . 18941 1 124 250 ALA . 18941 1 125 251 ALA . 18941 1 126 252 LYS . 18941 1 127 253 ASP . 18941 1 128 254 ILE . 18941 1 129 255 ILE . 18941 1 130 256 ARG . 18941 1 131 257 TYR . 18941 1 132 258 ILE . 18941 1 133 259 ILE . 18941 1 134 260 GLY . 18941 1 135 261 ILE . 18941 1 136 262 GLY . 18941 1 137 263 LYS . 18941 1 138 264 HIS . 18941 1 139 265 PHE . 18941 1 140 266 GLN . 18941 1 141 267 THR . 18941 1 142 268 LYS . 18941 1 143 269 GLU . 18941 1 144 270 SER . 18941 1 145 271 GLN . 18941 1 146 272 GLU . 18941 1 147 273 THR . 18941 1 148 274 LEU . 18941 1 149 275 HIS . 18941 1 150 276 LYS . 18941 1 151 277 PHE . 18941 1 152 278 ALA . 18941 1 153 279 SER . 18941 1 154 280 LYS . 18941 1 155 281 PRO . 18941 1 156 282 ALA . 18941 1 157 283 SER . 18941 1 158 284 GLU . 18941 1 159 285 PHE . 18941 1 160 286 VAL . 18941 1 161 287 LYS . 18941 1 162 288 ILE . 18941 1 163 289 LEU . 18941 1 164 290 ASP . 18941 1 165 291 THR . 18941 1 166 292 PHE . 18941 1 167 293 GLU . 18941 1 168 294 LYS . 18941 1 169 295 LEU . 18941 1 170 296 LYS . 18941 1 171 297 ASP . 18941 1 172 298 LEU . 18941 1 173 299 PHE . 18941 1 174 300 THR . 18941 1 175 301 GLU . 18941 1 176 302 LEU . 18941 1 177 303 GLN . 18941 1 178 304 LYS . 18941 1 179 305 LYS . 18941 1 180 306 ILE . 18941 1 181 307 TYR . 18941 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 18941 1 . GLY 2 2 18941 1 . ASN 3 3 18941 1 . VAL 4 4 18941 1 . ASP 5 5 18941 1 . LEU 6 6 18941 1 . VAL 7 7 18941 1 . PHE 8 8 18941 1 . LEU 9 9 18941 1 . PHE 10 10 18941 1 . ASP 11 11 18941 1 . GLY 12 12 18941 1 . SER 13 13 18941 1 . MET 14 14 18941 1 . SER 15 15 18941 1 . LEU 16 16 18941 1 . GLN 17 17 18941 1 . PRO 18 18 18941 1 . ASP 19 19 18941 1 . GLU 20 20 18941 1 . PHE 21 21 18941 1 . GLN 22 22 18941 1 . LYS 23 23 18941 1 . ILE 24 24 18941 1 . LEU 25 25 18941 1 . ASP 26 26 18941 1 . PHE 27 27 18941 1 . MET 28 28 18941 1 . LYS 29 29 18941 1 . ASP 30 30 18941 1 . VAL 31 31 18941 1 . MET 32 32 18941 1 . LYS 33 33 18941 1 . LYS 34 34 18941 1 . LEU 35 35 18941 1 . SER 36 36 18941 1 . ASN 37 37 18941 1 . THR 38 38 18941 1 . SER 39 39 18941 1 . TYR 40 40 18941 1 . GLN 41 41 18941 1 . PHE 42 42 18941 1 . ALA 43 43 18941 1 . ALA 44 44 18941 1 . VAL 45 45 18941 1 . GLN 46 46 18941 1 . PHE 47 47 18941 1 . SER 48 48 18941 1 . THR 49 49 18941 1 . SER 50 50 18941 1 . TYR 51 51 18941 1 . LYS 52 52 18941 1 . THR 53 53 18941 1 . GLU 54 54 18941 1 . PHE 55 55 18941 1 . ASP 56 56 18941 1 . PHE 57 57 18941 1 . SER 58 58 18941 1 . ASP 59 59 18941 1 . TYR 60 60 18941 1 . VAL 61 61 18941 1 . LYS 62 62 18941 1 . ARG 63 63 18941 1 . LYS 64 64 18941 1 . ASP 65 65 18941 1 . PRO 66 66 18941 1 . ASP 67 67 18941 1 . ALA 68 68 18941 1 . LEU 69 69 18941 1 . LEU 70 70 18941 1 . LYS 71 71 18941 1 . HIS 72 72 18941 1 . VAL 73 73 18941 1 . LYS 74 74 18941 1 . HIS 75 75 18941 1 . MET 76 76 18941 1 . LEU 77 77 18941 1 . LEU 78 78 18941 1 . LEU 79 79 18941 1 . THR 80 80 18941 1 . ASN 81 81 18941 1 . THR 82 82 18941 1 . PHE 83 83 18941 1 . GLY 84 84 18941 1 . ALA 85 85 18941 1 . ILE 86 86 18941 1 . ASN 87 87 18941 1 . TYR 88 88 18941 1 . VAL 89 89 18941 1 . ALA 90 90 18941 1 . THR 91 91 18941 1 . GLU 92 92 18941 1 . VAL 93 93 18941 1 . PHE 94 94 18941 1 . ARG 95 95 18941 1 . GLU 96 96 18941 1 . GLU 97 97 18941 1 . LEU 98 98 18941 1 . GLY 99 99 18941 1 . ALA 100 100 18941 1 . ARG 101 101 18941 1 . PRO 102 102 18941 1 . ASP 103 103 18941 1 . ALA 104 104 18941 1 . THR 105 105 18941 1 . LYS 106 106 18941 1 . VAL 107 107 18941 1 . LEU 108 108 18941 1 . ILE 109 109 18941 1 . ILE 110 110 18941 1 . ILE 111 111 18941 1 . THR 112 112 18941 1 . ASP 113 113 18941 1 . GLY 114 114 18941 1 . GLU 115 115 18941 1 . ALA 116 116 18941 1 . THR 117 117 18941 1 . ASP 118 118 18941 1 . SER 119 119 18941 1 . GLY 120 120 18941 1 . ASN 121 121 18941 1 . ILE 122 122 18941 1 . ASP 123 123 18941 1 . ALA 124 124 18941 1 . ALA 125 125 18941 1 . LYS 126 126 18941 1 . ASP 127 127 18941 1 . ILE 128 128 18941 1 . ILE 129 129 18941 1 . ARG 130 130 18941 1 . TYR 131 131 18941 1 . ILE 132 132 18941 1 . ILE 133 133 18941 1 . GLY 134 134 18941 1 . ILE 135 135 18941 1 . GLY 136 136 18941 1 . LYS 137 137 18941 1 . HIS 138 138 18941 1 . PHE 139 139 18941 1 . GLN 140 140 18941 1 . THR 141 141 18941 1 . LYS 142 142 18941 1 . GLU 143 143 18941 1 . SER 144 144 18941 1 . GLN 145 145 18941 1 . GLU 146 146 18941 1 . THR 147 147 18941 1 . LEU 148 148 18941 1 . HIS 149 149 18941 1 . LYS 150 150 18941 1 . PHE 151 151 18941 1 . ALA 152 152 18941 1 . SER 153 153 18941 1 . LYS 154 154 18941 1 . PRO 155 155 18941 1 . ALA 156 156 18941 1 . SER 157 157 18941 1 . GLU 158 158 18941 1 . PHE 159 159 18941 1 . VAL 160 160 18941 1 . LYS 161 161 18941 1 . ILE 162 162 18941 1 . LEU 163 163 18941 1 . ASP 164 164 18941 1 . THR 165 165 18941 1 . PHE 166 166 18941 1 . GLU 167 167 18941 1 . LYS 168 168 18941 1 . LEU 169 169 18941 1 . LYS 170 170 18941 1 . ASP 171 171 18941 1 . LEU 172 172 18941 1 . PHE 173 173 18941 1 . THR 174 174 18941 1 . GLU 175 175 18941 1 . LEU 176 176 18941 1 . GLN 177 177 18941 1 . LYS 178 178 18941 1 . LYS 179 179 18941 1 . ILE 180 180 18941 1 . TYR 181 181 18941 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 18941 _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 $LFA-1_I-domain . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 18941 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 18941 _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 $LFA-1_I-domain . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli K12 BL21(DE3) . . . . . . . . . . . . . . pET11d . . . . . . 18941 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 18941 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'LFA-1 I-domain polypeptide' '[U-13C; U-15N]' . . 1 $LFA-1_I-domain . . 700 . . uM . . . . 18941 1 2 'Sodium chloride' 'natural abundance' . . . . . . 137 . . mM . . . . 18941 1 3 'sodium phosphate dibasic' 'natural abundance' . . . . . . 2.7 . . mM . . . . 18941 1 4 'pottasium chloride' 'natural abundance' . . . . . . 2 . . mM . . . . 18941 1 5 'pottasium sulfate monobasic' 'natural abundance' . . . . . . 2 . . mM . . . . 18941 1 6 'Magnesium sulfate' 'natural abundance' . . . . . . 10 . . mM . . . . 18941 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 18941 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 7.4 . pH 18941 1 pressure 1 . atm 18941 1 temperature 295 . K 18941 1 stop_ save_ ############################ # Computer software used # ############################ save_xwinnmr _Software.Sf_category software _Software.Sf_framecode xwinnmr _Software.Entry_ID 18941 _Software.ID 1 _Software.Name xwinnmr _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID bruker . . 18941 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 18941 1 stop_ save_ save_NMRpipe _Software.Sf_category software _Software.Sf_framecode NMRpipe _Software.Entry_ID 18941 _Software.ID 2 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Frank Delaglio' . . 18941 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 18941 2 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 18941 _Software.ID 3 _Software.Name NMRView _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruce A Johnson' . . 18941 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 18941 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 18941 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 18941 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 600 . . . 18941 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 18941 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18941 1 2 '3D HNCO' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18941 1 3 '3D HN(CA)CO' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18941 1 4 '3D HNCACB' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18941 1 5 '3D CBCA(CO)NH' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18941 1 6 (H)CC(CO)NH no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18941 1 7 '3D HNHA' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18941 1 8 '3D 1H-15N NOESY' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18941 1 9 '3D 1H-15N TOCSY' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18941 1 stop_ save_ save_NMR_spectrometer_expt _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt _NMR_spec_expt.Entry_ID 18941 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name . _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _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_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 18941 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 internal indirect 0.251449530 . . . . . . . . . 18941 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1 . . . . . . . . . 18941 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 internal indirect 0.101329118 . . . . . . . . . 18941 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 18941 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 18941 1 2 '3D HNCO' . . . 18941 1 3 '3D HN(CA)CO' . . . 18941 1 4 '3D HNCACB' . . . 18941 1 5 '3D CBCA(CO)NH' . . . 18941 1 6 (H)CC(CO)NH . . . 18941 1 7 '3D HNHA' . . . 18941 1 8 '3D 1H-15N NOESY' . . . 18941 1 9 '3D 1H-15N TOCSY' . . . 18941 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 1 1 MET CA C 13 54.709 0.2 . 1 . . . . 127 M CA . 18941 1 2 . 1 1 1 1 MET CB C 13 33.381 0.2 . 1 . . . . 127 M CB . 18941 1 3 . 1 1 1 1 MET CG C 13 32.033 0.2 . 1 . . . . 127 M CG . 18941 1 4 . 1 1 2 2 GLY H H 1 8.457 0.02 . 1 . . . . 128 G HN . 18941 1 5 . 1 1 2 2 GLY CA C 13 44.941 0.2 . 1 . . . . 128 G CA . 18941 1 6 . 1 1 2 2 GLY N N 15 109.679 0.1 . 1 . . . . 128 G N . 18941 1 7 . 1 1 3 3 ASN H H 1 8.544 0.02 . 1 . . . . 129 N HN . 18941 1 8 . 1 1 3 3 ASN HA H 1 4.819 0.02 . 1 . . . . 129 N HA . 18941 1 9 . 1 1 3 3 ASN CA C 13 53.543 0.2 . 1 . . . . 129 N CA . 18941 1 10 . 1 1 3 3 ASN CB C 13 37.537 0.2 . 1 . . . . 129 N CB . 18941 1 11 . 1 1 3 3 ASN N N 15 119.679 0.1 . 1 . . . . 129 N N . 18941 1 12 . 1 1 4 4 VAL H H 1 6.935 0.02 . 1 . . . . 130 V HN . 18941 1 13 . 1 1 4 4 VAL CA C 13 61.469 0.2 . 1 . . . . 130 V CA . 18941 1 14 . 1 1 4 4 VAL CB C 13 34.718 0.2 . 1 . . . . 130 V CB . 18941 1 15 . 1 1 4 4 VAL N N 15 123.807 0.1 . 1 . . . . 130 V N . 18941 1 16 . 1 1 5 5 ASP H H 1 8.678 0.02 . 1 . . . . 131 D HN . 18941 1 17 . 1 1 5 5 ASP HA H 1 4.729 0.02 . 1 . . . . 131 D HA . 18941 1 18 . 1 1 5 5 ASP CA C 13 53.044 0.2 . 1 . . . . 131 D CA . 18941 1 19 . 1 1 5 5 ASP CB C 13 41.279 0.2 . 1 . . . . 131 D CB . 18941 1 20 . 1 1 5 5 ASP N N 15 131.286 0.1 . 1 . . . . 131 D N . 18941 1 21 . 1 1 6 6 LEU H H 1 8.592 0.02 . 1 . . . . 132 L HN . 18941 1 22 . 1 1 6 6 LEU HA H 1 5.484 0.02 . 1 . . . . 132 L HA . 18941 1 23 . 1 1 6 6 LEU CA C 13 54.417 0.2 . 1 . . . . 132 L CA . 18941 1 24 . 1 1 6 6 LEU CB C 13 44.903 0.2 . 1 . . . . 132 L CB . 18941 1 25 . 1 1 6 6 LEU CG C 13 27.741 0.2 . 1 . . . . 132 L CG . 18941 1 26 . 1 1 6 6 LEU CD2 C 13 22.812 0.2 . 2 . . . . 132 L CD2 . 18941 1 27 . 1 1 6 6 LEU N N 15 127.279 0.1 . 1 . . . . 132 L N . 18941 1 28 . 1 1 7 7 VAL H H 1 9.144 0.02 . 1 . . . . 133 V HN . 18941 1 29 . 1 1 7 7 VAL HA H 1 4.665 0.02 . 1 . . . . 133 V HA . 18941 1 30 . 1 1 7 7 VAL CA C 13 59.697 0.2 . 1 . . . . 133 V CA . 18941 1 31 . 1 1 7 7 VAL CB C 13 34.589 0.2 . 1 . . . . 133 V CB . 18941 1 32 . 1 1 7 7 VAL CG1 C 13 21.158 0.2 . 2 . . . . 133 V CG1 . 18941 1 33 . 1 1 7 7 VAL CG2 C 13 24.801 0.2 . 2 . . . . 133 V CG2 . 18941 1 34 . 1 1 7 7 VAL N N 15 124.440 0.1 . 1 . . . . 133 V N . 18941 1 35 . 1 1 8 8 PHE H H 1 8.663 0.02 . 1 . . . . 134 F HN . 18941 1 36 . 1 1 8 8 PHE HA H 1 5.363 0.02 . 1 . . . . 134 F HA . 18941 1 37 . 1 1 8 8 PHE CA C 13 55.769 0.2 . 1 . . . . 134 F CA . 18941 1 38 . 1 1 8 8 PHE CB C 13 44.484 0.2 . 1 . . . . 134 F CB . 18941 1 39 . 1 1 8 8 PHE N N 15 124.550 0.1 . 1 . . . . 134 F N . 18941 1 40 . 1 1 9 9 LEU H H 1 9.773 0.02 . 1 . . . . 135 L HN . 18941 1 41 . 1 1 9 9 LEU HA H 1 5.797 0.02 . 1 . . . . 135 L HA . 18941 1 42 . 1 1 9 9 LEU CA C 13 53.169 0.2 . 1 . . . . 135 L CA . 18941 1 43 . 1 1 9 9 LEU CB C 13 45.691 0.2 . 1 . . . . 135 L CB . 18941 1 44 . 1 1 9 9 LEU CG C 13 24.827 0.2 . 1 . . . . 135 L CG . 18941 1 45 . 1 1 9 9 LEU N N 15 129.128 0.1 . 1 . . . . 135 L N . 18941 1 46 . 1 1 10 10 PHE H H 1 9.589 0.02 . 1 . . . . 136 F HN . 18941 1 47 . 1 1 10 10 PHE HA H 1 5.887 0.02 . 1 . . . . 136 F HA . 18941 1 48 . 1 1 10 10 PHE CA C 13 55.333 0.2 . 1 . . . . 136 F CA . 18941 1 49 . 1 1 10 10 PHE CB C 13 43.485 0.2 . 1 . . . . 136 F CB . 18941 1 50 . 1 1 10 10 PHE N N 15 122.550 0.1 . 1 . . . . 136 F N . 18941 1 51 . 1 1 11 11 ASP H H 1 7.935 0.02 . 1 . . . . 137 D HN . 18941 1 52 . 1 1 11 11 ASP CA C 13 53.697 0.2 . 1 . . . . 137 D CA . 18941 1 53 . 1 1 11 11 ASP CB C 13 44.661 0.2 . 1 . . . . 137 D CB . 18941 1 54 . 1 1 11 11 ASP N N 15 127.545 0.1 . 1 . . . . 137 D N . 18941 1 55 . 1 1 12 12 GLY H H 1 8.379 0.02 . 1 . . . . 138 G HN . 18941 1 56 . 1 1 12 12 GLY HA2 H 1 4.918 0.02 . 2 . . . . 138 G HA2 . 18941 1 57 . 1 1 12 12 GLY CA C 13 51.970 0.2 . 1 . . . . 138 G CA . 18941 1 58 . 1 1 12 12 GLY N N 15 110.550 0.1 . 1 . . . . 138 G N . 18941 1 59 . 1 1 13 13 SER H H 1 9.756 0.02 . 1 . . . . 139 S HN . 18941 1 60 . 1 1 13 13 SER CA C 13 59.208 0.2 . 1 . . . . 139 S CA . 18941 1 61 . 1 1 13 13 SER CB C 13 60.178 0.2 . 1 . . . . 139 S CB . 18941 1 62 . 1 1 13 13 SER N N 15 116.418 0.1 . 1 . . . . 139 S N . 18941 1 63 . 1 1 14 14 MET H H 1 8.790 0.02 . 1 . . . . 140 M HN . 18941 1 64 . 1 1 14 14 MET CA C 13 57.229 0.2 . 1 . . . . 140 M CA . 18941 1 65 . 1 1 14 14 MET CB C 13 33.059 0.2 . 1 . . . . 140 M CB . 18941 1 66 . 1 1 14 14 MET CG C 13 30.259 0.2 . 1 . . . . 140 M CG . 18941 1 67 . 1 1 14 14 MET N N 15 116.353 0.1 . 1 . . . . 140 M N . 18941 1 68 . 1 1 15 15 SER H H 1 6.916 0.02 . 1 . . . . 141 S HN . 18941 1 69 . 1 1 15 15 SER HA H 1 4.186 0.02 . 1 . . . . 141 S HA . 18941 1 70 . 1 1 15 15 SER CA C 13 60.027 0.2 . 1 . . . . 141 S CA . 18941 1 71 . 1 1 15 15 SER CB C 13 61.839 0.2 . 1 . . . . 141 S CB . 18941 1 72 . 1 1 15 15 SER N N 15 110.515 0.1 . 1 . . . . 141 S N . 18941 1 73 . 1 1 16 16 LEU H H 1 6.980 0.02 . 1 . . . . 142 L HN . 18941 1 74 . 1 1 16 16 LEU HA H 1 4.376 0.02 . 1 . . . . 142 L HA . 18941 1 75 . 1 1 16 16 LEU CA C 13 55.658 0.2 . 1 . . . . 142 L CA . 18941 1 76 . 1 1 16 16 LEU CB C 13 43.899 0.2 . 1 . . . . 142 L CB . 18941 1 77 . 1 1 16 16 LEU CG C 13 28.391 0.2 . 1 . . . . 142 L CG . 18941 1 78 . 1 1 16 16 LEU N N 15 124.535 0.1 . 1 . . . . 142 L N . 18941 1 79 . 1 1 17 17 GLN H H 1 8.966 0.02 . 1 . . . . 143 Q HN . 18941 1 80 . 1 1 17 17 GLN HA H 1 4.553 0.02 . 1 . . . . 143 Q HA . 18941 1 81 . 1 1 17 17 GLN CA C 13 53.774 0.2 . 1 . . . . 143 Q CA . 18941 1 82 . 1 1 17 17 GLN CB C 13 27.945 0.2 . 1 . . . . 143 Q CB . 18941 1 83 . 1 1 17 17 GLN N N 15 122.511 0.1 . 1 . . . . 143 Q N . 18941 1 84 . 1 1 18 18 PRO CA C 13 66.754 0.2 . 1 . . . . 144 P CA . 18941 1 85 . 1 1 18 18 PRO CB C 13 31.943 0.2 . 1 . . . . 144 P CB . 18941 1 86 . 1 1 18 18 PRO CG C 13 28.176 0.2 . 1 . . . . 144 P CG . 18941 1 87 . 1 1 18 18 PRO CD C 13 49.909 0.2 . 1 . . . . 144 P CD . 18941 1 88 . 1 1 19 19 ASP H H 1 8.846 0.02 . 1 . . . . 145 D HN . 18941 1 89 . 1 1 19 19 ASP HA H 1 4.369 0.02 . 1 . . . . 145 D HA . 18941 1 90 . 1 1 19 19 ASP CA C 13 56.408 0.2 . 1 . . . . 145 D CA . 18941 1 91 . 1 1 19 19 ASP CB C 13 40.150 0.2 . 1 . . . . 145 D CB . 18941 1 92 . 1 1 19 19 ASP N N 15 114.146 0.1 . 1 . . . . 145 D N . 18941 1 93 . 1 1 20 20 GLU H H 1 6.898 0.02 . 1 . . . . 146 E HN . 18941 1 94 . 1 1 20 20 GLU HA H 1 3.258 0.02 . 1 . . . . 146 E HA . 18941 1 95 . 1 1 20 20 GLU CA C 13 58.904 0.2 . 1 . . . . 146 E CA . 18941 1 96 . 1 1 20 20 GLU CB C 13 28.869 0.2 . 1 . . . . 146 E CB . 18941 1 97 . 1 1 20 20 GLU CG C 13 36.808 0.2 . 1 . . . . 146 E CG . 18941 1 98 . 1 1 20 20 GLU N N 15 121.688 0.1 . 1 . . . . 146 E N . 18941 1 99 . 1 1 21 21 PHE H H 1 7.867 0.02 . 1 . . . . 147 F HN . 18941 1 100 . 1 1 21 21 PHE HA H 1 3.953 0.02 . 1 . . . . 147 F HA . 18941 1 101 . 1 1 21 21 PHE CA C 13 62.144 0.2 . 1 . . . . 147 F CA . 18941 1 102 . 1 1 21 21 PHE CB C 13 39.333 0.2 . 1 . . . . 147 F CB . 18941 1 103 . 1 1 21 21 PHE N N 15 118.631 0.1 . 1 . . . . 147 F N . 18941 1 104 . 1 1 22 22 GLN H H 1 7.901 0.02 . 1 . . . . 148 Q HN . 18941 1 105 . 1 1 22 22 GLN HA H 1 3.653 0.02 . 1 . . . . 148 Q HA . 18941 1 106 . 1 1 22 22 GLN CA C 13 58.487 0.2 . 1 . . . . 148 Q CA . 18941 1 107 . 1 1 22 22 GLN CB C 13 28.381 0.2 . 1 . . . . 148 Q CB . 18941 1 108 . 1 1 22 22 GLN CG C 13 33.404 0.2 . 1 . . . . 148 Q CG . 18941 1 109 . 1 1 22 22 GLN N N 15 115.239 0.1 . 1 . . . . 148 Q N . 18941 1 110 . 1 1 23 23 LYS H H 1 7.602 0.02 . 1 . . . . 149 K HN . 18941 1 111 . 1 1 23 23 LYS HA H 1 4.036 0.02 . 1 . . . . 149 K HA . 18941 1 112 . 1 1 23 23 LYS CA C 13 60.099 0.2 . 1 . . . . 149 K CA . 18941 1 113 . 1 1 23 23 LYS CB C 13 32.478 0.2 . 1 . . . . 149 K CB . 18941 1 114 . 1 1 23 23 LYS CD C 13 28.346 0.2 . 1 . . . . 149 K CD . 18941 1 115 . 1 1 23 23 LYS CE C 13 42.572 0.2 . 1 . . . . 149 K CE . 18941 1 116 . 1 1 23 23 LYS N N 15 118.379 0.1 . 1 . . . . 149 K N . 18941 1 117 . 1 1 24 24 ILE H H 1 7.621 0.02 . 1 . . . . 150 I HN . 18941 1 118 . 1 1 24 24 ILE HA H 1 3.494 0.02 . 1 . . . . 150 I HA . 18941 1 119 . 1 1 24 24 ILE HB H 1 2.037 0.02 . 1 . . . . 150 I HB . 18941 1 120 . 1 1 24 24 ILE CA C 13 66.881 0.2 . 1 . . . . 150 I CA . 18941 1 121 . 1 1 24 24 ILE CB C 13 37.390 0.2 . 1 . . . . 150 I CB . 18941 1 122 . 1 1 24 24 ILE CG2 C 13 17.617 0.2 . 4 . . . . 150 I CG2 . 18941 1 123 . 1 1 24 24 ILE N N 15 121.667 0.1 . 1 . . . . 150 I N . 18941 1 124 . 1 1 25 25 LEU H H 1 7.300 0.02 . 1 . . . . 151 L HN . 18941 1 125 . 1 1 25 25 LEU HA H 1 3.455 0.02 . 1 . . . . 151 L HA . 18941 1 126 . 1 1 25 25 LEU CA C 13 58.547 0.2 . 1 . . . . 151 L CA . 18941 1 127 . 1 1 25 25 LEU CB C 13 40.844 0.2 . 1 . . . . 151 L CB . 18941 1 128 . 1 1 25 25 LEU CD1 C 13 25.734 0.2 . 2 . . . . 151 L CD1 . 18941 1 129 . 1 1 25 25 LEU CD2 C 13 23.237 0.2 . 2 . . . . 151 L CD2 . 18941 1 130 . 1 1 25 25 LEU N N 15 119.485 0.1 . 1 . . . . 151 L N . 18941 1 131 . 1 1 26 26 ASP H H 1 8.785 0.02 . 1 . . . . 152 D HN . 18941 1 132 . 1 1 26 26 ASP HA H 1 4.091 0.02 . 1 . . . . 152 D HA . 18941 1 133 . 1 1 26 26 ASP CA C 13 57.462 0.2 . 1 . . . . 152 D CA . 18941 1 134 . 1 1 26 26 ASP CB C 13 40.332 0.2 . 1 . . . . 152 D CB . 18941 1 135 . 1 1 26 26 ASP N N 15 118.419 0.1 . 1 . . . . 152 D N . 18941 1 136 . 1 1 27 27 PHE H H 1 7.754 0.02 . 1 . . . . 153 F HN . 18941 1 137 . 1 1 27 27 PHE HA H 1 4.359 0.02 . 1 . . . . 153 F HA . 18941 1 138 . 1 1 27 27 PHE CA C 13 60.503 0.2 . 1 . . . . 153 F CA . 18941 1 139 . 1 1 27 27 PHE CB C 13 39.384 0.2 . 1 . . . . 153 F CB . 18941 1 140 . 1 1 27 27 PHE N N 15 122.000 0.1 . 1 . . . . 153 F N . 18941 1 141 . 1 1 28 28 MET H H 1 7.354 0.02 . 1 . . . . 154 M HN . 18941 1 142 . 1 1 28 28 MET CA C 13 59.474 0.2 . 1 . . . . 154 M CA . 18941 1 143 . 1 1 28 28 MET CB C 13 33.112 0.2 . 1 . . . . 154 M CB . 18941 1 144 . 1 1 28 28 MET N N 15 117.681 0.1 . 1 . . . . 154 M N . 18941 1 145 . 1 1 29 29 LYS H H 1 7.752 0.02 . 1 . . . . 155 K HN . 18941 1 146 . 1 1 29 29 LYS CA C 13 60.932 0.2 . 1 . . . . 155 K CA . 18941 1 147 . 1 1 29 29 LYS CB C 13 32.806 0.2 . 1 . . . . 155 K CB . 18941 1 148 . 1 1 29 29 LYS CG C 13 26.346 0.2 . 1 . . . . 155 K CG . 18941 1 149 . 1 1 29 29 LYS CD C 13 30.069 0.2 . 1 . . . . 155 K CD . 18941 1 150 . 1 1 29 29 LYS N N 15 115.779 0.1 . 1 . . . . 155 K N . 18941 1 151 . 1 1 30 30 ASP H H 1 7.922 0.02 . 1 . . . . 156 D HN . 18941 1 152 . 1 1 30 30 ASP CA C 13 57.652 0.2 . 1 . . . . 156 D CA . 18941 1 153 . 1 1 30 30 ASP CB C 13 41.387 0.2 . 1 . . . . 156 D CB . 18941 1 154 . 1 1 30 30 ASP N N 15 119.203 0.1 . 1 . . . . 156 D N . 18941 1 155 . 1 1 31 31 VAL H H 1 7.708 0.02 . 1 . . . . 157 V HN . 18941 1 156 . 1 1 31 31 VAL HA H 1 2.904 0.02 . 1 . . . . 157 V HA . 18941 1 157 . 1 1 31 31 VAL CA C 13 66.878 0.2 . 1 . . . . 157 V CA . 18941 1 158 . 1 1 31 31 VAL CB C 13 31.237 0.2 . 1 . . . . 157 V CB . 18941 1 159 . 1 1 31 31 VAL N N 15 118.421 0.1 . 1 . . . . 157 V N . 18941 1 160 . 1 1 32 32 MET H H 1 7.382 0.02 . 1 . . . . 158 M HN . 18941 1 161 . 1 1 32 32 MET CA C 13 59.929 0.2 . 1 . . . . 158 M CA . 18941 1 162 . 1 1 32 32 MET CB C 13 34.513 0.2 . 1 . . . . 158 M CB . 18941 1 163 . 1 1 32 32 MET CG C 13 32.190 0.2 . 1 . . . . 158 M CG . 18941 1 164 . 1 1 32 32 MET N N 15 114.327 0.1 . 1 . . . . 158 M N . 18941 1 165 . 1 1 33 33 LYS H H 1 8.276 0.02 . 1 . . . . 159 K HN . 18941 1 166 . 1 1 33 33 LYS CA C 13 60.258 0.2 . 1 . . . . 159 K CA . 18941 1 167 . 1 1 33 33 LYS CB C 13 32.363 0.2 . 1 . . . . 159 K CB . 18941 1 168 . 1 1 33 33 LYS CD C 13 27.958 0.2 . 1 . . . . 159 K CD . 18941 1 169 . 1 1 33 33 LYS N N 15 119.264 0.1 . 1 . . . . 159 K N . 18941 1 170 . 1 1 34 34 LYS H H 1 7.942 0.02 . 1 . . . . 160 K HN . 18941 1 171 . 1 1 34 34 LYS HA H 1 3.999 0.02 . 1 . . . . 160 K HA . 18941 1 172 . 1 1 34 34 LYS CA C 13 58.890 0.2 . 1 . . . . 160 K CA . 18941 1 173 . 1 1 34 34 LYS CB C 13 32.689 0.2 . 1 . . . . 160 K CB . 18941 1 174 . 1 1 34 34 LYS CD C 13 28.542 0.2 . 1 . . . . 160 K CD . 18941 1 175 . 1 1 34 34 LYS N N 15 119.902 0.1 . 1 . . . . 160 K N . 18941 1 176 . 1 1 35 35 LEU H H 1 7.604 0.02 . 1 . . . . 161 L HN . 18941 1 177 . 1 1 35 35 LEU CA C 13 53.838 0.2 . 1 . . . . 161 L CA . 18941 1 178 . 1 1 35 35 LEU CB C 13 41.032 0.2 . 1 . . . . 161 L CB . 18941 1 179 . 1 1 35 35 LEU CD1 C 13 25.170 0.2 . 2 . . . . 161 L CD1 . 18941 1 180 . 1 1 35 35 LEU N N 15 118.753 0.1 . 1 . . . . 161 L N . 18941 1 181 . 1 1 36 36 SER H H 1 7.317 0.02 . 1 . . . . 162 S HN . 18941 1 182 . 1 1 36 36 SER HA H 1 4.371 0.02 . 1 . . . . 162 S HA . 18941 1 183 . 1 1 36 36 SER CB C 13 63.855 0.2 . 1 . . . . 162 S CB . 18941 1 184 . 1 1 36 36 SER N N 15 116.963 0.1 . 1 . . . . 162 S N . 18941 1 185 . 1 1 37 37 ASN H H 1 8.877 0.02 . 1 . . . . 163 N HN . 18941 1 186 . 1 1 37 37 ASN CA C 13 53.400 0.2 . 1 . . . . 163 N CA . 18941 1 187 . 1 1 37 37 ASN CB C 13 37.893 0.2 . 1 . . . . 163 N CB . 18941 1 188 . 1 1 37 37 ASN N N 15 120.350 0.1 . 1 . . . . 163 N N . 18941 1 189 . 1 1 38 38 THR H H 1 8.013 0.02 . 1 . . . . 164 T HN . 18941 1 190 . 1 1 38 38 THR CA C 13 66.755 0.2 . 1 . . . . 164 T CA . 18941 1 191 . 1 1 38 38 THR N N 15 109.988 0.1 . 1 . . . . 164 T N . 18941 1 192 . 1 1 39 39 SER H H 1 8.621 0.02 . 1 . . . . 165 S HN . 18941 1 193 . 1 1 39 39 SER CA C 13 59.120 0.2 . 1 . . . . 165 S CA . 18941 1 194 . 1 1 39 39 SER CB C 13 63.101 0.2 . 1 . . . . 165 S CB . 18941 1 195 . 1 1 39 39 SER N N 15 114.029 0.1 . 1 . . . . 165 S N . 18941 1 196 . 1 1 40 40 TYR H H 1 8.462 0.02 . 1 . . . . 166 Y HN . 18941 1 197 . 1 1 40 40 TYR CA C 13 59.021 0.2 . 1 . . . . 166 Y CA . 18941 1 198 . 1 1 40 40 TYR CB C 13 40.077 0.2 . 1 . . . . 166 Y CB . 18941 1 199 . 1 1 40 40 TYR N N 15 124.322 0.1 . 1 . . . . 166 Y N . 18941 1 200 . 1 1 41 41 GLN H H 1 8.181 0.02 . 1 . . . . 167 Q HN . 18941 1 201 . 1 1 41 41 GLN HA H 1 4.443 0.02 . 1 . . . . 167 Q HA . 18941 1 202 . 1 1 41 41 GLN CA C 13 55.422 0.2 . 1 . . . . 167 Q CA . 18941 1 203 . 1 1 41 41 GLN CB C 13 32.562 0.2 . 1 . . . . 167 Q CB . 18941 1 204 . 1 1 41 41 GLN CG C 13 34.429 0.2 . 1 . . . . 167 Q CG . 18941 1 205 . 1 1 41 41 GLN N N 15 116.424 0.1 . 1 . . . . 167 Q N . 18941 1 206 . 1 1 42 42 PHE H H 1 5.465 0.02 . 1 . . . . 168 F HN . 18941 1 207 . 1 1 42 42 PHE HA H 1 6.276 0.02 . 1 . . . . 168 F HA . 18941 1 208 . 1 1 42 42 PHE CA C 13 57.307 0.2 . 1 . . . . 168 F CA . 18941 1 209 . 1 1 42 42 PHE CB C 13 45.439 0.2 . 1 . . . . 168 F CB . 18941 1 210 . 1 1 42 42 PHE N N 15 116.518 0.1 . 1 . . . . 168 F N . 18941 1 211 . 1 1 43 43 ALA H H 1 8.033 0.02 . 1 . . . . 169 A HN . 18941 1 212 . 1 1 43 43 ALA HA H 1 3.913 0.02 . 1 . . . . 169 A HA . 18941 1 213 . 1 1 43 43 ALA CA C 13 50.745 0.2 . 1 . . . . 169 A CA . 18941 1 214 . 1 1 43 43 ALA CB C 13 21.829 0.2 . 1 . . . . 169 A CB . 18941 1 215 . 1 1 43 43 ALA N N 15 117.410 0.1 . 1 . . . . 169 A N . 18941 1 216 . 1 1 44 44 ALA H H 1 7.432 0.02 . 1 . . . . 170 A HN . 18941 1 217 . 1 1 44 44 ALA HA H 1 5.668 0.02 . 1 . . . . 170 A HA . 18941 1 218 . 1 1 44 44 ALA CA C 13 51.197 0.2 . 1 . . . . 170 A CA . 18941 1 219 . 1 1 44 44 ALA CB C 13 24.181 0.2 . 1 . . . . 170 A CB . 18941 1 220 . 1 1 44 44 ALA N N 15 117.220 0.1 . 1 . . . . 170 A N . 18941 1 221 . 1 1 45 45 VAL H H 1 9.619 0.02 . 1 . . . . 171 V HN . 18941 1 222 . 1 1 45 45 VAL HA H 1 4.977 0.02 . 1 . . . . 171 V HA . 18941 1 223 . 1 1 45 45 VAL CA C 13 60.015 0.2 . 1 . . . . 171 V CA . 18941 1 224 . 1 1 45 45 VAL CB C 13 36.519 0.2 . 1 . . . . 171 V CB . 18941 1 225 . 1 1 45 45 VAL N N 15 123.979 0.1 . 1 . . . . 171 V N . 18941 1 226 . 1 1 46 46 GLN H H 1 8.767 0.02 . 1 . . . . 172 Q HN . 18941 1 227 . 1 1 46 46 GLN HA H 1 3.953 0.02 . 1 . . . . 172 Q HA . 18941 1 228 . 1 1 46 46 GLN CA C 13 53.708 0.2 . 1 . . . . 172 Q CA . 18941 1 229 . 1 1 46 46 GLN CB C 13 30.538 0.2 . 1 . . . . 172 Q CB . 18941 1 230 . 1 1 46 46 GLN CG C 13 35.546 0.2 . 1 . . . . 172 Q CG . 18941 1 231 . 1 1 46 46 GLN N N 15 128.546 0.1 . 1 . . . . 172 Q N . 18941 1 232 . 1 1 47 47 PHE H H 1 8.855 0.02 . 1 . . . . 173 F HN . 18941 1 233 . 1 1 47 47 PHE HA H 1 5.663 0.02 . 1 . . . . 173 F HA . 18941 1 234 . 1 1 47 47 PHE CA C 13 54.405 0.2 . 1 . . . . 173 F CA . 18941 1 235 . 1 1 47 47 PHE CB C 13 45.888 0.2 . 1 . . . . 173 F CB . 18941 1 236 . 1 1 47 47 PHE N N 15 123.704 0.1 . 1 . . . . 173 F N . 18941 1 237 . 1 1 48 48 SER H H 1 8.374 0.02 . 1 . . . . 174 S HN . 18941 1 238 . 1 1 48 48 SER CA C 13 58.773 0.2 . 1 . . . . 174 S CA . 18941 1 239 . 1 1 48 48 SER CB C 13 62.599 0.2 . 1 . . . . 174 S CB . 18941 1 240 . 1 1 48 48 SER N N 15 116.393 0.1 . 1 . . . . 174 S N . 18941 1 241 . 1 1 49 49 THR H H 1 7.727 0.02 . 1 . . . . 175 T HN . 18941 1 242 . 1 1 49 49 THR HA H 1 4.440 0.02 . 1 . . . . 175 T HA . 18941 1 243 . 1 1 49 49 THR CA C 13 65.369 0.2 . 1 . . . . 175 T CA . 18941 1 244 . 1 1 49 49 THR CB C 13 68.546 0.2 . 1 . . . . 175 T CB . 18941 1 245 . 1 1 49 49 THR N N 15 123.154 0.1 . 1 . . . . 175 T N . 18941 1 246 . 1 1 50 50 SER H H 1 8.945 0.02 . 1 . . . . 176 S HN . 18941 1 247 . 1 1 50 50 SER HA H 1 3.465 0.02 . 1 . . . . 176 S HA . 18941 1 248 . 1 1 50 50 SER CA C 13 54.928 0.2 . 1 . . . . 176 S CA . 18941 1 249 . 1 1 50 50 SER CB C 13 63.703 0.2 . 1 . . . . 176 S CB . 18941 1 250 . 1 1 50 50 SER N N 15 117.788 0.1 . 1 . . . . 176 S N . 18941 1 251 . 1 1 51 51 TYR H H 1 7.196 0.02 . 1 . . . . 177 Y HN . 18941 1 252 . 1 1 51 51 TYR HA H 1 5.190 0.02 . 1 . . . . 177 Y HA . 18941 1 253 . 1 1 51 51 TYR CA C 13 54.646 0.2 . 1 . . . . 177 Y CA . 18941 1 254 . 1 1 51 51 TYR CB C 13 39.009 0.2 . 1 . . . . 177 Y CB . 18941 1 255 . 1 1 51 51 TYR N N 15 118.845 0.1 . 1 . . . . 177 Y N . 18941 1 256 . 1 1 52 52 LYS H H 1 8.692 0.02 . 1 . . . . 178 K HN . 18941 1 257 . 1 1 52 52 LYS HA H 1 4.554 0.02 . 1 . . . . 178 K HA . 18941 1 258 . 1 1 52 52 LYS CA C 13 55.296 0.2 . 1 . . . . 178 K CA . 18941 1 259 . 1 1 52 52 LYS CB C 13 38.301 0.2 . 1 . . . . 178 K CB . 18941 1 260 . 1 1 52 52 LYS CD C 13 29.602 0.2 . 1 . . . . 178 K CD . 18941 1 261 . 1 1 52 52 LYS CE C 13 42.612 0.2 . 1 . . . . 178 K CE . 18941 1 262 . 1 1 52 52 LYS N N 15 124.006 0.1 . 1 . . . . 178 K N . 18941 1 263 . 1 1 53 53 THR H H 1 9.532 0.02 . 1 . . . . 179 T HN . 18941 1 264 . 1 1 53 53 THR HA H 1 4.389 0.02 . 1 . . . . 179 T HA . 18941 1 265 . 1 1 53 53 THR CA C 13 64.118 0.2 . 1 . . . . 179 T CA . 18941 1 266 . 1 1 53 53 THR CB C 13 68.031 0.2 . 1 . . . . 179 T CB . 18941 1 267 . 1 1 53 53 THR N N 15 126.435 0.1 . 1 . . . . 179 T N . 18941 1 268 . 1 1 54 54 GLU H H 1 9.467 0.02 . 1 . . . . 180 E HN . 18941 1 269 . 1 1 54 54 GLU HA H 1 5.050 0.02 . 1 . . . . 180 E HA . 18941 1 270 . 1 1 54 54 GLU CA C 13 57.450 0.2 . 1 . . . . 180 E CA . 18941 1 271 . 1 1 54 54 GLU CB C 13 29.039 0.2 . 1 . . . . 180 E CB . 18941 1 272 . 1 1 54 54 GLU CG C 13 33.936 0.2 . 1 . . . . 180 E CG . 18941 1 273 . 1 1 54 54 GLU N N 15 133.187 0.1 . 1 . . . . 180 E N . 18941 1 274 . 1 1 55 55 PHE H H 1 7.451 0.02 . 1 . . . . 181 F HN . 18941 1 275 . 1 1 55 55 PHE HA H 1 4.906 0.02 . 1 . . . . 181 F HA . 18941 1 276 . 1 1 55 55 PHE CA C 13 58.438 0.2 . 1 . . . . 181 F CA . 18941 1 277 . 1 1 55 55 PHE CB C 13 40.319 0.2 . 1 . . . . 181 F CB . 18941 1 278 . 1 1 55 55 PHE N N 15 110.821 0.1 . 1 . . . . 181 F N . 18941 1 279 . 1 1 56 56 ASP H H 1 9.568 0.02 . 1 . . . . 182 D HN . 18941 1 280 . 1 1 56 56 ASP HA H 1 4.847 0.02 . 1 . . . . 182 D HA . 18941 1 281 . 1 1 56 56 ASP N N 15 122.226 0.1 . 1 . . . . 182 D N . 18941 1 282 . 1 1 57 57 PHE CA C 13 60.895 0.2 . 1 . . . . 183 F CA . 18941 1 283 . 1 1 57 57 PHE CB C 13 50.225 0.2 . 1 . . . . 183 F CB . 18941 1 284 . 1 1 58 58 SER H H 1 8.370 0.02 . 1 . . . . 184 S HN . 18941 1 285 . 1 1 58 58 SER HA H 1 4.318 0.02 . 1 . . . . 184 S HA . 18941 1 286 . 1 1 58 58 SER CA C 13 61.058 0.2 . 1 . . . . 184 S CA . 18941 1 287 . 1 1 58 58 SER CB C 13 62.699 0.2 . 1 . . . . 184 S CB . 18941 1 288 . 1 1 58 58 SER N N 15 113.632 0.1 . 1 . . . . 184 S N . 18941 1 289 . 1 1 59 59 ASP H H 1 8.222 0.02 . 1 . . . . 185 D HN . 18941 1 290 . 1 1 59 59 ASP HA H 1 4.560 0.02 . 1 . . . . 185 D HA . 18941 1 291 . 1 1 59 59 ASP CA C 13 57.602 0.2 . 1 . . . . 185 D CA . 18941 1 292 . 1 1 59 59 ASP CB C 13 41.979 0.2 . 1 . . . . 185 D CB . 18941 1 293 . 1 1 59 59 ASP N N 15 123.224 0.1 . 1 . . . . 185 D N . 18941 1 294 . 1 1 60 60 TYR H H 1 8.372 0.02 . 1 . . . . 186 Y HN . 18941 1 295 . 1 1 60 60 TYR HA H 1 4.072 0.02 . 1 . . . . 186 Y HA . 18941 1 296 . 1 1 60 60 TYR CA C 13 62.493 0.2 . 1 . . . . 186 Y CA . 18941 1 297 . 1 1 60 60 TYR CB C 13 39.049 0.2 . 1 . . . . 186 Y CB . 18941 1 298 . 1 1 60 60 TYR N N 15 120.311 0.1 . 1 . . . . 186 Y N . 18941 1 299 . 1 1 61 61 VAL H H 1 8.360 0.02 . 1 . . . . 187 V HN . 18941 1 300 . 1 1 61 61 VAL HA H 1 3.474 0.02 . 1 . . . . 187 V HA . 18941 1 301 . 1 1 61 61 VAL CA C 13 66.337 0.2 . 1 . . . . 187 V CA . 18941 1 302 . 1 1 61 61 VAL CB C 13 32.060 0.2 . 1 . . . . 187 V CB . 18941 1 303 . 1 1 61 61 VAL N N 15 115.570 0.1 . 1 . . . . 187 V N . 18941 1 304 . 1 1 62 62 LYS H H 1 7.593 0.02 . 1 . . . . 188 K HN . 18941 1 305 . 1 1 62 62 LYS HA H 1 4.128 0.02 . 1 . . . . 188 K HA . 18941 1 306 . 1 1 62 62 LYS CA C 13 59.058 0.2 . 1 . . . . 188 K CA . 18941 1 307 . 1 1 62 62 LYS CB C 13 33.560 0.2 . 1 . . . . 188 K CB . 18941 1 308 . 1 1 62 62 LYS CG C 13 25.587 0.2 . 1 . . . . 188 K CG . 18941 1 309 . 1 1 62 62 LYS CE C 13 42.350 0.2 . 1 . . . . 188 K CE . 18941 1 310 . 1 1 62 62 LYS N N 15 117.188 0.1 . 1 . . . . 188 K N . 18941 1 311 . 1 1 63 63 ARG H H 1 7.949 0.02 . 1 . . . . 189 R HN . 18941 1 312 . 1 1 63 63 ARG HA H 1 4.303 0.02 . 1 . . . . 189 R HA . 18941 1 313 . 1 1 63 63 ARG CA C 13 56.821 0.2 . 1 . . . . 189 R CA . 18941 1 314 . 1 1 63 63 ARG CB C 13 31.780 0.2 . 1 . . . . 189 R CB . 18941 1 315 . 1 1 63 63 ARG CG C 13 27.416 0.2 . 1 . . . . 189 R CG . 18941 1 316 . 1 1 63 63 ARG CD C 13 43.385 0.2 . 1 . . . . 189 R CD . 18941 1 317 . 1 1 63 63 ARG N N 15 117.894 0.1 . 1 . . . . 189 R N . 18941 1 318 . 1 1 64 64 LYS H H 1 8.409 0.02 . 1 . . . . 190 K HN . 18941 1 319 . 1 1 64 64 LYS HA H 1 3.524 0.02 . 1 . . . . 190 K HA . 18941 1 320 . 1 1 64 64 LYS CA C 13 57.795 0.2 . 1 . . . . 190 K CA . 18941 1 321 . 1 1 64 64 LYS CB C 13 31.115 0.2 . 1 . . . . 190 K CB . 18941 1 322 . 1 1 64 64 LYS CG C 13 24.978 0.2 . 1 . . . . 190 K CG . 18941 1 323 . 1 1 64 64 LYS CD C 13 29.629 0.2 . 1 . . . . 190 K CD . 18941 1 324 . 1 1 64 64 LYS CE C 13 42.549 0.2 . 1 . . . . 190 K CE . 18941 1 325 . 1 1 64 64 LYS N N 15 120.260 0.1 . 1 . . . . 190 K N . 18941 1 326 . 1 1 65 65 ASP H H 1 7.454 0.02 . 1 . . . . 191 D HN . 18941 1 327 . 1 1 65 65 ASP HA H 1 4.896 0.02 . 1 . . . . 191 D HA . 18941 1 328 . 1 1 65 65 ASP CA C 13 51.001 0.2 . 1 . . . . 191 D CA . 18941 1 329 . 1 1 65 65 ASP N N 15 118.496 0.1 . 1 . . . . 191 D N . 18941 1 330 . 1 1 66 66 PRO CA C 13 65.324 0.2 . 1 . . . . 192 P CA . 18941 1 331 . 1 1 66 66 PRO CB C 13 33.095 0.2 . 1 . . . . 192 P CB . 18941 1 332 . 1 1 66 66 PRO CG C 13 28.609 0.2 . 1 . . . . 192 P CG . 18941 1 333 . 1 1 66 66 PRO CD C 13 50.441 0.2 . 1 . . . . 192 P CD . 18941 1 334 . 1 1 67 67 ASP H H 1 7.726 0.02 . 1 . . . . 193 D HN . 18941 1 335 . 1 1 67 67 ASP HA H 1 4.080 0.02 . 1 . . . . 193 D HA . 18941 1 336 . 1 1 67 67 ASP HB2 H 1 2.685 0.02 . 2 . . . . 193 D HB1 . 18941 1 337 . 1 1 67 67 ASP CA C 13 57.149 0.2 . 1 . . . . 193 D CA . 18941 1 338 . 1 1 67 67 ASP CB C 13 40.321 0.2 . 1 . . . . 193 D CB . 18941 1 339 . 1 1 67 67 ASP N N 15 113.393 0.1 . 1 . . . . 193 D N . 18941 1 340 . 1 1 68 68 ALA H H 1 7.333 0.02 . 1 . . . . 194 A HN . 18941 1 341 . 1 1 68 68 ALA HA H 1 4.015 0.02 . 1 . . . . 194 A HA . 18941 1 342 . 1 1 68 68 ALA CA C 13 54.326 0.2 . 1 . . . . 194 A CA . 18941 1 343 . 1 1 68 68 ALA CB C 13 18.577 0.2 . 1 . . . . 194 A CB . 18941 1 344 . 1 1 68 68 ALA N N 15 121.784 0.1 . 1 . . . . 194 A N . 18941 1 345 . 1 1 69 69 LEU H H 1 7.970 0.02 . 1 . . . . 195 L HN . 18941 1 346 . 1 1 69 69 LEU CA C 13 57.363 0.2 . 1 . . . . 195 L CA . 18941 1 347 . 1 1 69 69 LEU CB C 13 42.090 0.2 . 1 . . . . 195 L CB . 18941 1 348 . 1 1 69 69 LEU CG C 13 26.521 0.2 . 1 . . . . 195 L CG . 18941 1 349 . 1 1 69 69 LEU CD2 C 13 21.827 0.2 . 2 . . . . 195 L CD2 . 18941 1 350 . 1 1 69 69 LEU N N 15 116.952 0.1 . 1 . . . . 195 L N . 18941 1 351 . 1 1 70 70 LEU H H 1 6.881 0.02 . 1 . . . . 196 L HN . 18941 1 352 . 1 1 70 70 LEU HA H 1 4.708 0.02 . 1 . . . . 196 L HA . 18941 1 353 . 1 1 70 70 LEU CA C 13 53.765 0.2 . 1 . . . . 196 L CA . 18941 1 354 . 1 1 70 70 LEU CB C 13 42.080 0.2 . 1 . . . . 196 L CB . 18941 1 355 . 1 1 70 70 LEU CD2 C 13 22.925 0.2 . 2 . . . . 196 L CD2 . 18941 1 356 . 1 1 70 70 LEU N N 15 113.979 0.1 . 1 . . . . 196 L N . 18941 1 357 . 1 1 71 71 LYS H H 1 6.999 0.02 . 1 . . . . 197 K HN . 18941 1 358 . 1 1 71 71 LYS HA H 1 3.919 0.02 . 1 . . . . 197 K HA . 18941 1 359 . 1 1 71 71 LYS CA C 13 59.200 0.2 . 1 . . . . 197 K CA . 18941 1 360 . 1 1 71 71 LYS CB C 13 33.090 0.2 . 1 . . . . 197 K CB . 18941 1 361 . 1 1 71 71 LYS CG C 13 23.868 0.2 . 1 . . . . 197 K CG . 18941 1 362 . 1 1 71 71 LYS CD C 13 29.316 0.2 . 1 . . . . 197 K CD . 18941 1 363 . 1 1 71 71 LYS CE C 13 42.133 0.2 . 1 . . . . 197 K CE . 18941 1 364 . 1 1 71 71 LYS N N 15 120.638 0.1 . 1 . . . . 197 K N . 18941 1 365 . 1 1 72 72 HIS H H 1 8.660 0.02 . 1 . . . . 198 H HN . 18941 1 366 . 1 1 72 72 HIS HA H 1 4.763 0.02 . 1 . . . . 198 H HA . 18941 1 367 . 1 1 72 72 HIS CA C 13 55.604 0.2 . 1 . . . . 198 H CA . 18941 1 368 . 1 1 72 72 HIS CB C 13 30.471 0.2 . 1 . . . . 198 H CB . 18941 1 369 . 1 1 72 72 HIS N N 15 115.466 0.1 . 1 . . . . 198 H N . 18941 1 370 . 1 1 73 73 VAL H H 1 6.997 0.02 . 1 . . . . 199 V HN . 18941 1 371 . 1 1 73 73 VAL HA H 1 3.712 0.02 . 1 . . . . 199 V HA . 18941 1 372 . 1 1 73 73 VAL HB H 1 2.019 0.02 . 1 . . . . 199 V HB . 18941 1 373 . 1 1 73 73 VAL CA C 13 64.438 0.2 . 1 . . . . 199 V CA . 18941 1 374 . 1 1 73 73 VAL CB C 13 32.282 0.2 . 1 . . . . 199 V CB . 18941 1 375 . 1 1 73 73 VAL N N 15 121.795 0.1 . 1 . . . . 199 V N . 18941 1 376 . 1 1 74 74 LYS H H 1 9.578 0.02 . 1 . . . . 200 K HN . 18941 1 377 . 1 1 74 74 LYS HA H 1 4.711 0.02 . 1 . . . . 200 K HA . 18941 1 378 . 1 1 74 74 LYS HG2 H 1 1.488 0.02 . 2 . . . . 200 K HG2 . 18941 1 379 . 1 1 74 74 LYS CA C 13 54.533 0.2 . 1 . . . . 200 K CA . 18941 1 380 . 1 1 74 74 LYS CB C 13 23.132 0.2 . 1 . . . . 200 K CB . 18941 1 381 . 1 1 74 74 LYS CG C 13 24.444 0.2 . 1 . . . . 200 K CG . 18941 1 382 . 1 1 74 74 LYS CD C 13 29.074 0.2 . 1 . . . . 200 K CD . 18941 1 383 . 1 1 74 74 LYS CE C 13 42.286 0.2 . 1 . . . . 200 K CE . 18941 1 384 . 1 1 74 74 LYS N N 15 130.550 0.1 . 1 . . . . 200 K N . 18941 1 385 . 1 1 75 75 HIS H H 1 8.643 0.02 . 1 . . . . 201 H HN . 18941 1 386 . 1 1 75 75 HIS CA C 13 55.102 0.2 . 1 . . . . 201 H CA . 18941 1 387 . 1 1 75 75 HIS CB C 13 32.429 0.2 . 1 . . . . 201 H CB . 18941 1 388 . 1 1 75 75 HIS N N 15 129.619 0.1 . 1 . . . . 201 H N . 18941 1 389 . 1 1 76 76 MET H H 1 9.377 0.02 . 1 . . . . 202 M HN . 18941 1 390 . 1 1 76 76 MET CA C 13 61.035 0.2 . 1 . . . . 202 M CA . 18941 1 391 . 1 1 76 76 MET CB C 13 36.463 0.2 . 1 . . . . 202 M CB . 18941 1 392 . 1 1 76 76 MET N N 15 130.749 0.1 . 1 . . . . 202 M N . 18941 1 393 . 1 1 77 77 LEU H H 1 8.435 0.02 . 1 . . . . 203 L HN . 18941 1 394 . 1 1 77 77 LEU HA H 1 5.683 0.02 . 1 . . . . 203 L HA . 18941 1 395 . 1 1 77 77 LEU CA C 13 55.793 0.2 . 1 . . . . 203 L CA . 18941 1 396 . 1 1 77 77 LEU CB C 13 39.465 0.2 . 1 . . . . 203 L CB . 18941 1 397 . 1 1 77 77 LEU CD1 C 13 25.618 0.2 . 2 . . . . 203 L CD1 . 18941 1 398 . 1 1 77 77 LEU N N 15 113.141 0.1 . 1 . . . . 203 L N . 18941 1 399 . 1 1 78 78 LEU H H 1 7.024 0.02 . 1 . . . . 204 L HN . 18941 1 400 . 1 1 78 78 LEU HA H 1 4.888 0.02 . 1 . . . . 204 L HA . 18941 1 401 . 1 1 78 78 LEU CA C 13 55.227 0.2 . 1 . . . . 204 L CA . 18941 1 402 . 1 1 78 78 LEU CB C 13 43.267 0.2 . 1 . . . . 204 L CB . 18941 1 403 . 1 1 78 78 LEU CD1 C 13 26.756 0.2 . 2 . . . . 204 L CD1 . 18941 1 404 . 1 1 78 78 LEU CD2 C 13 23.088 0.2 . 2 . . . . 204 L CD2 . 18941 1 405 . 1 1 78 78 LEU N N 15 120.958 0.1 . 1 . . . . 204 L N . 18941 1 406 . 1 1 79 79 LEU H H 1 7.305 0.02 . 1 . . . . 205 L HN . 18941 1 407 . 1 1 79 79 LEU HA H 1 4.573 0.02 . 1 . . . . 205 L HA . 18941 1 408 . 1 1 79 79 LEU CA C 13 55.086 0.2 . 1 . . . . 205 L CA . 18941 1 409 . 1 1 79 79 LEU CB C 13 39.577 0.2 . 1 . . . . 205 L CB . 18941 1 410 . 1 1 79 79 LEU CG C 13 25.687 0.2 . 1 . . . . 205 L CG . 18941 1 411 . 1 1 79 79 LEU N N 15 121.468 0.1 . 1 . . . . 205 L N . 18941 1 412 . 1 1 80 80 THR H H 1 7.851 0.02 . 1 . . . . 206 T HN . 18941 1 413 . 1 1 80 80 THR HA H 1 4.362 0.02 . 1 . . . . 206 T HA . 18941 1 414 . 1 1 80 80 THR CA C 13 60.484 0.2 . 1 . . . . 206 T CA . 18941 1 415 . 1 1 80 80 THR CB C 13 69.984 0.2 . 1 . . . . 206 T CB . 18941 1 416 . 1 1 80 80 THR N N 15 117.592 0.1 . 1 . . . . 206 T N . 18941 1 417 . 1 1 81 81 ASN H H 1 9.191 0.02 . 1 . . . . 207 N HN . 18941 1 418 . 1 1 81 81 ASN HA H 1 5.283 0.02 . 1 . . . . 207 N HA . 18941 1 419 . 1 1 81 81 ASN CA C 13 52.965 0.2 . 1 . . . . 207 N CA . 18941 1 420 . 1 1 81 81 ASN CB C 13 36.605 0.2 . 1 . . . . 207 N CB . 18941 1 421 . 1 1 81 81 ASN N N 15 128.547 0.1 . 1 . . . . 207 N N . 18941 1 422 . 1 1 82 82 THR H H 1 8.732 0.02 . 1 . . . . 208 T HN . 18941 1 423 . 1 1 82 82 THR CA C 13 66.665 0.2 . 1 . . . . 208 T CA . 18941 1 424 . 1 1 82 82 THR CB C 13 68.579 0.2 . 1 . . . . 208 T CB . 18941 1 425 . 1 1 82 82 THR N N 15 119.700 0.1 . 1 . . . . 208 T N . 18941 1 426 . 1 1 83 83 PHE H H 1 10.489 0.02 . 1 . . . . 209 F HN . 18941 1 427 . 1 1 83 83 PHE CA C 13 64.660 0.2 . 1 . . . . 209 F CA . 18941 1 428 . 1 1 83 83 PHE CB C 13 38.099 0.2 . 1 . . . . 209 F CB . 18941 1 429 . 1 1 83 83 PHE N N 15 122.004 0.1 . 1 . . . . 209 F N . 18941 1 430 . 1 1 84 84 GLY H H 1 10.305 0.02 . 1 . . . . 210 G HN . 18941 1 431 . 1 1 84 84 GLY CA C 13 46.569 0.2 . 1 . . . . 210 G CA . 18941 1 432 . 1 1 84 84 GLY N N 15 110.934 0.1 . 1 . . . . 210 G N . 18941 1 433 . 1 1 85 85 ALA H H 1 8.010 0.02 . 1 . . . . 211 A HN . 18941 1 434 . 1 1 85 85 ALA HA H 1 2.819 0.02 . 1 . . . . 211 A HA . 18941 1 435 . 1 1 85 85 ALA CA C 13 54.333 0.2 . 1 . . . . 211 A CA . 18941 1 436 . 1 1 85 85 ALA CB C 13 20.865 0.2 . 1 . . . . 211 A CB . 18941 1 437 . 1 1 85 85 ALA N N 15 125.486 0.1 . 1 . . . . 211 A N . 18941 1 438 . 1 1 86 86 ILE H H 1 7.931 0.02 . 1 . . . . 212 I HN . 18941 1 439 . 1 1 86 86 ILE CA C 13 66.375 0.2 . 1 . . . . 212 I CA . 18941 1 440 . 1 1 86 86 ILE CB C 13 37.876 0.2 . 1 . . . . 212 I CB . 18941 1 441 . 1 1 86 86 ILE N N 15 119.431 0.1 . 1 . . . . 212 I N . 18941 1 442 . 1 1 87 87 ASN H H 1 7.636 0.02 . 1 . . . . 213 N HN . 18941 1 443 . 1 1 87 87 ASN HA H 1 4.212 0.02 . 1 . . . . 213 N HA . 18941 1 444 . 1 1 87 87 ASN CA C 13 58.057 0.2 . 1 . . . . 213 N CA . 18941 1 445 . 1 1 87 87 ASN CB C 13 39.477 0.2 . 1 . . . . 213 N CB . 18941 1 446 . 1 1 87 87 ASN N N 15 117.619 0.1 . 1 . . . . 213 N N . 18941 1 447 . 1 1 88 88 TYR H H 1 8.182 0.02 . 1 . . . . 214 Y HN . 18941 1 448 . 1 1 88 88 TYR HA H 1 3.988 0.02 . 1 . . . . 214 Y HA . 18941 1 449 . 1 1 88 88 TYR CA C 13 61.485 0.2 . 1 . . . . 214 Y CA . 18941 1 450 . 1 1 88 88 TYR CB C 13 38.322 0.2 . 1 . . . . 214 Y CB . 18941 1 451 . 1 1 88 88 TYR N N 15 122.260 0.1 . 1 . . . . 214 Y N . 18941 1 452 . 1 1 89 89 VAL H H 1 8.191 0.02 . 1 . . . . 215 V HN . 18941 1 453 . 1 1 89 89 VAL CA C 13 66.582 0.2 . 1 . . . . 215 V CA . 18941 1 454 . 1 1 89 89 VAL CB C 13 31.453 0.2 . 1 . . . . 215 V CB . 18941 1 455 . 1 1 89 89 VAL CG1 C 13 23.809 0.2 . 2 . . . . 215 V CG1 . 18941 1 456 . 1 1 89 89 VAL CG2 C 13 24.751 0.2 . 2 . . . . 215 V CG2 . 18941 1 457 . 1 1 89 89 VAL N N 15 120.001 0.1 . 1 . . . . 215 V N . 18941 1 458 . 1 1 90 90 ALA H H 1 8.133 0.02 . 1 . . . . 216 A HN . 18941 1 459 . 1 1 90 90 ALA HA H 1 4.167 0.02 . 1 . . . . 216 A HA . 18941 1 460 . 1 1 90 90 ALA CA C 13 55.528 0.2 . 1 . . . . 216 A CA . 18941 1 461 . 1 1 90 90 ALA CB C 13 18.690 0.2 . 1 . . . . 216 A CB . 18941 1 462 . 1 1 90 90 ALA N N 15 118.600 0.1 . 1 . . . . 216 A N . 18941 1 463 . 1 1 91 91 THR H H 1 7.806 0.02 . 1 . . . . 217 T HN . 18941 1 464 . 1 1 91 91 THR HA H 1 4.397 0.02 . 1 . . . . 217 T HA . 18941 1 465 . 1 1 91 91 THR CA C 13 63.250 0.2 . 1 . . . . 217 T CA . 18941 1 466 . 1 1 91 91 THR CB C 13 70.270 0.2 . 1 . . . . 217 T CB . 18941 1 467 . 1 1 91 91 THR N N 15 104.606 0.1 . 1 . . . . 217 T N . 18941 1 468 . 1 1 92 92 GLU H H 1 8.571 0.02 . 1 . . . . 218 E HN . 18941 1 469 . 1 1 92 92 GLU HA H 1 4.467 0.02 . 1 . . . . 218 E HA . 18941 1 470 . 1 1 92 92 GLU CA C 13 55.879 0.2 . 1 . . . . 218 E CA . 18941 1 471 . 1 1 92 92 GLU CB C 13 38.445 0.2 . 1 . . . . 218 E CB . 18941 1 472 . 1 1 92 92 GLU CG C 13 35.304 0.2 . 1 . . . . 218 E CG . 18941 1 473 . 1 1 92 92 GLU N N 15 117.583 0.1 . 1 . . . . 218 E N . 18941 1 474 . 1 1 93 93 VAL H H 1 7.128 0.02 . 1 . . . . 219 V HN . 18941 1 475 . 1 1 93 93 VAL HA H 1 4.150 0.02 . 1 . . . . 219 V HA . 18941 1 476 . 1 1 93 93 VAL HB H 1 2.147 0.02 . 1 . . . . 219 V HB . 18941 1 477 . 1 1 93 93 VAL CA C 13 64.511 0.2 . 1 . . . . 219 V CA . 18941 1 478 . 1 1 93 93 VAL CB C 13 32.326 0.2 . 1 . . . . 219 V CB . 18941 1 479 . 1 1 93 93 VAL CG1 C 13 21.626 0.2 . 2 . . . . 219 V CG1 . 18941 1 480 . 1 1 93 93 VAL CG2 C 13 23.610 0.2 . 2 . . . . 219 V CG2 . 18941 1 481 . 1 1 93 93 VAL N N 15 117.886 0.1 . 1 . . . . 219 V N . 18941 1 482 . 1 1 94 94 PHE H H 1 7.137 0.02 . 1 . . . . 220 F HN . 18941 1 483 . 1 1 94 94 PHE HA H 1 4.625 0.02 . 1 . . . . 220 F HA . 18941 1 484 . 1 1 94 94 PHE CA C 13 58.939 0.2 . 1 . . . . 220 F CA . 18941 1 485 . 1 1 94 94 PHE CB C 13 37.326 0.2 . 1 . . . . 220 F CB . 18941 1 486 . 1 1 94 94 PHE N N 15 118.425 0.1 . 1 . . . . 220 F N . 18941 1 487 . 1 1 95 95 ARG H H 1 7.716 0.02 . 1 . . . . 221 R HN . 18941 1 488 . 1 1 95 95 ARG HA H 1 4.710 0.02 . 1 . . . . 221 R HA . 18941 1 489 . 1 1 95 95 ARG CA C 13 54.099 0.2 . 1 . . . . 221 R CA . 18941 1 490 . 1 1 95 95 ARG CB C 13 33.453 0.2 . 1 . . . . 221 R CB . 18941 1 491 . 1 1 95 95 ARG N N 15 120.957 0.1 . 1 . . . . 221 R N . 18941 1 492 . 1 1 96 96 GLU H H 1 9.601 0.02 . 1 . . . . 222 E HN . 18941 1 493 . 1 1 96 96 GLU CA C 13 59.560 0.2 . 1 . . . . 222 E CA . 18941 1 494 . 1 1 96 96 GLU CB C 13 29.771 0.2 . 1 . . . . 222 E CB . 18941 1 495 . 1 1 96 96 GLU CG C 13 36.553 0.2 . 1 . . . . 222 E CG . 18941 1 496 . 1 1 96 96 GLU N N 15 130.017 0.1 . 1 . . . . 222 E N . 18941 1 497 . 1 1 97 97 GLU H H 1 10.261 0.02 . 1 . . . . 223 E HN . 18941 1 498 . 1 1 97 97 GLU CA C 13 59.532 0.2 . 1 . . . . 223 E CA . 18941 1 499 . 1 1 97 97 GLU CB C 13 28.573 0.2 . 1 . . . . 223 E CB . 18941 1 500 . 1 1 97 97 GLU CG C 13 36.625 0.2 . 1 . . . . 223 E CG . 18941 1 501 . 1 1 97 97 GLU N N 15 120.208 0.1 . 1 . . . . 223 E N . 18941 1 502 . 1 1 98 98 LEU H H 1 7.412 0.02 . 1 . . . . 224 L HN . 18941 1 503 . 1 1 98 98 LEU HA H 1 4.706 0.02 . 1 . . . . 224 L HA . 18941 1 504 . 1 1 98 98 LEU HB2 H 1 1.911 0.02 . 2 . . . . 224 L HB2 . 18941 1 505 . 1 1 98 98 LEU CA C 13 54.404 0.2 . 1 . . . . 224 L CA . 18941 1 506 . 1 1 98 98 LEU CB C 13 42.037 0.2 . 1 . . . . 224 L CB . 18941 1 507 . 1 1 98 98 LEU CG C 13 28.041 0.2 . 1 . . . . 224 L CG . 18941 1 508 . 1 1 98 98 LEU CD1 C 13 26.153 0.2 . 2 . . . . 224 L CD1 . 18941 1 509 . 1 1 98 98 LEU CD2 C 13 22.470 0.2 . 2 . . . . 224 L CD2 . 18941 1 510 . 1 1 98 98 LEU N N 15 118.735 0.1 . 1 . . . . 224 L N . 18941 1 511 . 1 1 99 99 GLY H H 1 7.896 0.02 . 1 . . . . 225 G HN . 18941 1 512 . 1 1 99 99 GLY HA2 H 1 3.764 0.02 . 2 . . . . 225 G HA2 . 18941 1 513 . 1 1 99 99 GLY CA C 13 45.530 0.2 . 1 . . . . 225 G CA . 18941 1 514 . 1 1 99 99 GLY N N 15 104.180 0.1 . 1 . . . . 225 G N . 18941 1 515 . 1 1 100 100 ALA H H 1 7.588 0.02 . 1 . . . . 226 A HN . 18941 1 516 . 1 1 100 100 ALA HA H 1 3.443 0.02 . 1 . . . . 226 A HA . 18941 1 517 . 1 1 100 100 ALA CA C 13 52.624 0.2 . 1 . . . . 226 A CA . 18941 1 518 . 1 1 100 100 ALA CB C 13 18.723 0.2 . 1 . . . . 226 A CB . 18941 1 519 . 1 1 100 100 ALA N N 15 124.534 0.1 . 1 . . . . 226 A N . 18941 1 520 . 1 1 101 101 ARG H H 1 10.178 0.02 . 1 . . . . 227 R HN . 18941 1 521 . 1 1 101 101 ARG HA H 1 4.627 0.02 . 1 . . . . 227 R HA . 18941 1 522 . 1 1 101 101 ARG CA C 13 53.445 0.2 . 1 . . . . 227 R CA . 18941 1 523 . 1 1 101 101 ARG CB C 13 30.654 0.2 . 1 . . . . 227 R CB . 18941 1 524 . 1 1 101 101 ARG N N 15 126.271 0.1 . 1 . . . . 227 R N . 18941 1 525 . 1 1 102 102 PRO CA C 13 64.749 0.2 . 1 . . . . 228 P CA . 18941 1 526 . 1 1 102 102 PRO CB C 13 31.973 0.2 . 1 . . . . 228 P CB . 18941 1 527 . 1 1 102 102 PRO CG C 13 27.499 0.2 . 1 . . . . 228 P CG . 18941 1 528 . 1 1 102 102 PRO CD C 13 50.969 0.2 . 1 . . . . 228 P CD . 18941 1 529 . 1 1 103 103 ASP H H 1 8.227 0.02 . 1 . . . . 229 D HN . 18941 1 530 . 1 1 103 103 ASP HA H 1 4.534 0.02 . 1 . . . . 229 D HA . 18941 1 531 . 1 1 103 103 ASP CA C 13 53.291 0.2 . 1 . . . . 229 D CA . 18941 1 532 . 1 1 103 103 ASP CB C 13 40.275 0.2 . 1 . . . . 229 D CB . 18941 1 533 . 1 1 103 103 ASP N N 15 114.030 0.1 . 1 . . . . 229 D N . 18941 1 534 . 1 1 104 104 ALA H H 1 7.261 0.02 . 1 . . . . 230 A HN . 18941 1 535 . 1 1 104 104 ALA HA H 1 4.175 0.02 . 1 . . . . 230 A HA . 18941 1 536 . 1 1 104 104 ALA CA C 13 51.808 0.2 . 1 . . . . 230 A CA . 18941 1 537 . 1 1 104 104 ALA CB C 13 20.647 0.2 . 1 . . . . 230 A CB . 18941 1 538 . 1 1 104 104 ALA N N 15 121.884 0.1 . 1 . . . . 230 A N . 18941 1 539 . 1 1 105 105 THR H H 1 8.324 0.02 . 1 . . . . 231 T HN . 18941 1 540 . 1 1 105 105 THR HA H 1 4.031 0.02 . 1 . . . . 231 T HA . 18941 1 541 . 1 1 105 105 THR HB H 1 3.872 0.02 . 1 . . . . 231 T HB . 18941 1 542 . 1 1 105 105 THR CA C 13 64.289 0.2 . 1 . . . . 231 T CA . 18941 1 543 . 1 1 105 105 THR CB C 13 69.589 0.2 . 1 . . . . 231 T CB . 18941 1 544 . 1 1 105 105 THR N N 15 119.890 0.1 . 1 . . . . 231 T N . 18941 1 545 . 1 1 106 106 LYS H H 1 8.422 0.02 . 1 . . . . 232 K HN . 18941 1 546 . 1 1 106 106 LYS CA C 13 56.212 0.2 . 1 . . . . 232 K CA . 18941 1 547 . 1 1 106 106 LYS CB C 13 34.228 0.2 . 1 . . . . 232 K CB . 18941 1 548 . 1 1 106 106 LYS CG C 13 24.228 0.2 . 1 . . . . 232 K CG . 18941 1 549 . 1 1 106 106 LYS CD C 13 29.365 0.2 . 1 . . . . 232 K CD . 18941 1 550 . 1 1 106 106 LYS N N 15 128.334 0.1 . 1 . . . . 232 K N . 18941 1 551 . 1 1 107 107 VAL H H 1 8.912 0.02 . 1 . . . . 233 V HN . 18941 1 552 . 1 1 107 107 VAL HA H 1 4.988 0.02 . 1 . . . . 233 V HA . 18941 1 553 . 1 1 107 107 VAL CA C 13 61.021 0.2 . 1 . . . . 233 V CA . 18941 1 554 . 1 1 107 107 VAL CB C 13 35.736 0.2 . 1 . . . . 233 V CB . 18941 1 555 . 1 1 107 107 VAL N N 15 124.530 0.1 . 1 . . . . 233 V N . 18941 1 556 . 1 1 108 108 LEU H H 1 9.798 0.02 . 1 . . . . 234 L HN . 18941 1 557 . 1 1 108 108 LEU HA H 1 5.456 0.02 . 1 . . . . 234 L HA . 18941 1 558 . 1 1 108 108 LEU CA C 13 53.139 0.2 . 1 . . . . 234 L CA . 18941 1 559 . 1 1 108 108 LEU CB C 13 48.249 0.2 . 1 . . . . 234 L CB . 18941 1 560 . 1 1 108 108 LEU CG C 13 24.272 0.2 . 1 . . . . 234 L CG . 18941 1 561 . 1 1 108 108 LEU N N 15 130.072 0.1 . 1 . . . . 234 L N . 18941 1 562 . 1 1 109 109 ILE H H 1 9.042 0.02 . 1 . . . . 235 I HN . 18941 1 563 . 1 1 109 109 ILE HA H 1 5.092 0.02 . 1 . . . . 235 I HA . 18941 1 564 . 1 1 109 109 ILE CA C 13 60.620 0.2 . 1 . . . . 235 I CA . 18941 1 565 . 1 1 109 109 ILE CB C 13 39.124 0.2 . 1 . . . . 235 I CB . 18941 1 566 . 1 1 109 109 ILE CG2 C 13 17.406 0.2 . 4 . . . . 235 I CG2 . 18941 1 567 . 1 1 109 109 ILE N N 15 124.009 0.1 . 1 . . . . 235 I N . 18941 1 568 . 1 1 110 110 ILE H H 1 9.281 0.02 . 1 . . . . 236 I HN . 18941 1 569 . 1 1 110 110 ILE HA H 1 5.488 0.02 . 1 . . . . 236 I HA . 18941 1 570 . 1 1 110 110 ILE CA C 13 60.614 0.2 . 1 . . . . 236 I CA . 18941 1 571 . 1 1 110 110 ILE CB C 13 39.267 0.2 . 1 . . . . 236 I CB . 18941 1 572 . 1 1 110 110 ILE CG1 C 13 28.586 0.2 . 4 . . . . 236 I CG1 . 18941 1 573 . 1 1 110 110 ILE CG2 C 13 16.608 0.2 . 4 . . . . 236 I CG2 . 18941 1 574 . 1 1 110 110 ILE N N 15 128.550 0.1 . 1 . . . . 236 I N . 18941 1 575 . 1 1 111 111 ILE H H 1 9.163 0.02 . 1 . . . . 237 I HN . 18941 1 576 . 1 1 111 111 ILE HA H 1 5.194 0.02 . 1 . . . . 237 I HA . 18941 1 577 . 1 1 111 111 ILE CA C 13 61.005 0.2 . 1 . . . . 237 I CA . 18941 1 578 . 1 1 111 111 ILE CB C 13 41.228 0.2 . 1 . . . . 237 I CB . 18941 1 579 . 1 1 111 111 ILE CG1 C 13 28.815 0.2 . 4 . . . . 237 I CG1 . 18941 1 580 . 1 1 111 111 ILE CG2 C 13 19.708 0.2 . 4 . . . . 237 I CG2 . 18941 1 581 . 1 1 111 111 ILE N N 15 127.596 0.1 . 1 . . . . 237 I N . 18941 1 582 . 1 1 112 112 THR H H 1 9.437 0.02 . 1 . . . . 238 T HN . 18941 1 583 . 1 1 112 112 THR HA H 1 5.663 0.02 . 1 . . . . 238 T HA . 18941 1 584 . 1 1 112 112 THR CA C 13 59.846 0.2 . 1 . . . . 238 T CA . 18941 1 585 . 1 1 112 112 THR CB C 13 71.366 0.2 . 1 . . . . 238 T CB . 18941 1 586 . 1 1 112 112 THR N N 15 120.108 0.1 . 1 . . . . 238 T N . 18941 1 587 . 1 1 113 113 ASP H H 1 8.638 0.02 . 1 . . . . 239 D HN . 18941 1 588 . 1 1 113 113 ASP CA C 13 51.902 0.2 . 1 . . . . 239 D CA . 18941 1 589 . 1 1 113 113 ASP CB C 13 44.278 0.2 . 1 . . . . 239 D CB . 18941 1 590 . 1 1 113 113 ASP N N 15 126.297 0.1 . 1 . . . . 239 D N . 18941 1 591 . 1 1 114 114 GLY H H 1 8.366 0.02 . 1 . . . . 240 G HN . 18941 1 592 . 1 1 114 114 GLY CA C 13 46.160 0.2 . 1 . . . . 240 G CA . 18941 1 593 . 1 1 114 114 GLY N N 15 114.029 0.1 . 1 . . . . 240 G N . 18941 1 594 . 1 1 115 115 GLU H H 1 8.158 0.02 . 1 . . . . 241 E HN . 18941 1 595 . 1 1 115 115 GLU HA H 1 4.357 0.02 . 1 . . . . 241 E HA . 18941 1 596 . 1 1 115 115 GLU CA C 13 56.592 0.2 . 1 . . . . 241 E CA . 18941 1 597 . 1 1 115 115 GLU CB C 13 39.601 0.2 . 1 . . . . 241 E CB . 18941 1 598 . 1 1 115 115 GLU CG C 13 37.477 0.2 . 1 . . . . 241 E CG . 18941 1 599 . 1 1 115 115 GLU N N 15 116.094 0.1 . 1 . . . . 241 E N . 18941 1 600 . 1 1 116 116 ALA H H 1 8.603 0.02 . 1 . . . . 242 A HN . 18941 1 601 . 1 1 116 116 ALA HA H 1 5.241 0.02 . 1 . . . . 242 A HA . 18941 1 602 . 1 1 116 116 ALA CA C 13 52.871 0.2 . 1 . . . . 242 A CA . 18941 1 603 . 1 1 116 116 ALA CB C 13 20.729 0.2 . 1 . . . . 242 A CB . 18941 1 604 . 1 1 116 116 ALA N N 15 122.419 0.1 . 1 . . . . 242 A N . 18941 1 605 . 1 1 117 117 THR H H 1 9.296 0.02 . 1 . . . . 243 T HN . 18941 1 606 . 1 1 117 117 THR HA H 1 4.553 0.02 . 1 . . . . 243 T HA . 18941 1 607 . 1 1 117 117 THR CA C 13 61.270 0.2 . 1 . . . . 243 T CA . 18941 1 608 . 1 1 117 117 THR CB C 13 69.959 0.2 . 1 . . . . 243 T CB . 18941 1 609 . 1 1 117 117 THR N N 15 111.060 0.1 . 1 . . . . 243 T N . 18941 1 610 . 1 1 118 118 ASP H H 1 8.428 0.02 . 1 . . . . 244 D HN . 18941 1 611 . 1 1 118 118 ASP HA H 1 4.945 0.02 . 1 . . . . 244 D HA . 18941 1 612 . 1 1 118 118 ASP CA C 13 51.970 0.2 . 1 . . . . 244 D CA . 18941 1 613 . 1 1 118 118 ASP CB C 13 40.993 0.2 . 1 . . . . 244 D CB . 18941 1 614 . 1 1 118 118 ASP N N 15 123.150 0.1 . 1 . . . . 244 D N . 18941 1 615 . 1 1 119 119 SER H H 1 7.503 0.02 . 1 . . . . 245 S HN . 18941 1 616 . 1 1 119 119 SER HA H 1 3.926 0.02 . 1 . . . . 245 S HA . 18941 1 617 . 1 1 119 119 SER CA C 13 57.197 0.2 . 1 . . . . 245 S CA . 18941 1 618 . 1 1 119 119 SER CB C 13 64.753 0.2 . 1 . . . . 245 S CB . 18941 1 619 . 1 1 119 119 SER N N 15 109.250 0.1 . 1 . . . . 245 S N . 18941 1 620 . 1 1 120 120 GLY H H 1 6.743 0.02 . 1 . . . . 246 G HN . 18941 1 621 . 1 1 120 120 GLY CA C 13 44.936 0.2 . 1 . . . . 246 G CA . 18941 1 622 . 1 1 120 120 GLY N N 15 105.971 0.1 . 1 . . . . 246 G N . 18941 1 623 . 1 1 121 121 ASN H H 1 8.737 0.02 . 1 . . . . 247 N HN . 18941 1 624 . 1 1 121 121 ASN HA H 1 5.054 0.02 . 1 . . . . 247 N HA . 18941 1 625 . 1 1 121 121 ASN CA C 13 52.446 0.2 . 1 . . . . 247 N CA . 18941 1 626 . 1 1 121 121 ASN CB C 13 42.294 0.2 . 1 . . . . 247 N CB . 18941 1 627 . 1 1 121 121 ASN N N 15 119.917 0.1 . 1 . . . . 247 N N . 18941 1 628 . 1 1 122 122 ILE H H 1 9.003 0.02 . 1 . . . . 248 I HN . 18941 1 629 . 1 1 122 122 ILE CA C 13 60.568 0.2 . 1 . . . . 248 I CA . 18941 1 630 . 1 1 122 122 ILE CB C 13 38.859 0.2 . 1 . . . . 248 I CB . 18941 1 631 . 1 1 122 122 ILE N N 15 114.177 0.1 . 1 . . . . 248 I N . 18941 1 632 . 1 1 123 123 ASP H H 1 8.966 0.02 . 1 . . . . 249 D HN . 18941 1 633 . 1 1 123 123 ASP HA H 1 4.255 0.02 . 1 . . . . 249 D HA . 18941 1 634 . 1 1 123 123 ASP CA C 13 58.334 0.2 . 1 . . . . 249 D CA . 18941 1 635 . 1 1 123 123 ASP CB C 13 39.895 0.2 . 1 . . . . 249 D CB . 18941 1 636 . 1 1 123 123 ASP N N 15 126.648 0.1 . 1 . . . . 249 D N . 18941 1 637 . 1 1 124 124 ALA H H 1 9.056 0.02 . 1 . . . . 250 A HN . 18941 1 638 . 1 1 124 124 ALA HA H 1 4.164 0.02 . 1 . . . . 250 A HA . 18941 1 639 . 1 1 124 124 ALA CA C 13 54.002 0.2 . 1 . . . . 250 A CA . 18941 1 640 . 1 1 124 124 ALA CB C 13 18.219 0.2 . 1 . . . . 250 A CB . 18941 1 641 . 1 1 124 124 ALA N N 15 119.790 0.1 . 1 . . . . 250 A N . 18941 1 642 . 1 1 125 125 ALA H H 1 8.052 0.02 . 1 . . . . 251 A HN . 18941 1 643 . 1 1 125 125 ALA HA H 1 4.457 0.02 . 1 . . . . 251 A HA . 18941 1 644 . 1 1 125 125 ALA CA C 13 50.277 0.2 . 1 . . . . 251 A CA . 18941 1 645 . 1 1 125 125 ALA CB C 13 20.038 0.2 . 1 . . . . 251 A CB . 18941 1 646 . 1 1 125 125 ALA N N 15 117.926 0.1 . 1 . . . . 251 A N . 18941 1 647 . 1 1 126 126 LYS H H 1 7.280 0.02 . 1 . . . . 252 K HN . 18941 1 648 . 1 1 126 126 LYS CA C 13 59.836 0.2 . 1 . . . . 252 K CA . 18941 1 649 . 1 1 126 126 LYS CB C 13 32.436 0.2 . 1 . . . . 252 K CB . 18941 1 650 . 1 1 126 126 LYS CG C 13 23.986 0.2 . 1 . . . . 252 K CG . 18941 1 651 . 1 1 126 126 LYS CD C 13 29.427 0.2 . 1 . . . . 252 K CD . 18941 1 652 . 1 1 126 126 LYS CE C 13 42.077 0.2 . 1 . . . . 252 K CE . 18941 1 653 . 1 1 126 126 LYS N N 15 118.622 0.1 . 1 . . . . 252 K N . 18941 1 654 . 1 1 127 127 ASP H H 1 8.528 0.02 . 1 . . . . 253 D HN . 18941 1 655 . 1 1 127 127 ASP HA H 1 4.650 0.02 . 1 . . . . 253 D HA . 18941 1 656 . 1 1 127 127 ASP HB2 H 1 2.543 0.02 . 2 . . . . 253 D HB2 . 18941 1 657 . 1 1 127 127 ASP CA C 13 54.651 0.2 . 1 . . . . 253 D CA . 18941 1 658 . 1 1 127 127 ASP CB C 13 40.239 0.2 . 1 . . . . 253 D CB . 18941 1 659 . 1 1 127 127 ASP N N 15 117.304 0.1 . 1 . . . . 253 D N . 18941 1 660 . 1 1 128 128 ILE H H 1 7.539 0.02 . 1 . . . . 254 I HN . 18941 1 661 . 1 1 128 128 ILE HA H 1 3.794 0.02 . 1 . . . . 254 I HA . 18941 1 662 . 1 1 128 128 ILE HB H 1 1.683 0.02 . 1 . . . . 254 I HB . 18941 1 663 . 1 1 128 128 ILE CA C 13 60.814 0.2 . 1 . . . . 254 I CA . 18941 1 664 . 1 1 128 128 ILE CB C 13 40.076 0.2 . 1 . . . . 254 I CB . 18941 1 665 . 1 1 128 128 ILE CG1 C 13 27.430 0.2 . 4 . . . . 254 I CG1 . 18941 1 666 . 1 1 128 128 ILE CG2 C 13 18.431 0.2 . 4 . . . . 254 I CG2 . 18941 1 667 . 1 1 128 128 ILE N N 15 121.589 0.1 . 1 . . . . 254 I N . 18941 1 668 . 1 1 129 129 ILE H H 1 8.498 0.02 . 1 . . . . 255 I HN . 18941 1 669 . 1 1 129 129 ILE HA H 1 3.705 0.02 . 1 . . . . 255 I HA . 18941 1 670 . 1 1 129 129 ILE CA C 13 58.425 0.2 . 1 . . . . 255 I CA . 18941 1 671 . 1 1 129 129 ILE CB C 13 37.838 0.2 . 1 . . . . 255 I CB . 18941 1 672 . 1 1 129 129 ILE CG1 C 13 27.788 0.2 . 4 . . . . 255 I CG1 . 18941 1 673 . 1 1 129 129 ILE CG2 C 13 18.313 0.2 . 4 . . . . 255 I CG2 . 18941 1 674 . 1 1 129 129 ILE N N 15 130.854 0.1 . 1 . . . . 255 I N . 18941 1 675 . 1 1 130 130 ARG H H 1 8.942 0.02 . 1 . . . . 256 R HN . 18941 1 676 . 1 1 130 130 ARG CA C 13 59.129 0.2 . 1 . . . . 256 R CA . 18941 1 677 . 1 1 130 130 ARG CB C 13 31.798 0.2 . 1 . . . . 256 R CB . 18941 1 678 . 1 1 130 130 ARG N N 15 128.656 0.1 . 1 . . . . 256 R N . 18941 1 679 . 1 1 131 131 TYR H H 1 9.043 0.02 . 1 . . . . 257 Y HN . 18941 1 680 . 1 1 131 131 TYR CA C 13 57.139 0.2 . 1 . . . . 257 Y CA . 18941 1 681 . 1 1 131 131 TYR CB C 13 42.497 0.2 . 1 . . . . 257 Y CB . 18941 1 682 . 1 1 131 131 TYR N N 15 124.319 0.1 . 1 . . . . 257 Y N . 18941 1 683 . 1 1 132 132 ILE H H 1 9.231 0.02 . 1 . . . . 258 I HN . 18941 1 684 . 1 1 132 132 ILE CA C 13 58.822 0.2 . 1 . . . . 258 I CA . 18941 1 685 . 1 1 132 132 ILE CB C 13 41.377 0.2 . 1 . . . . 258 I CB . 18941 1 686 . 1 1 132 132 ILE CG2 C 13 19.384 0.2 . 4 . . . . 258 I CG2 . 18941 1 687 . 1 1 132 132 ILE N N 15 123.591 0.1 . 1 . . . . 258 I N . 18941 1 688 . 1 1 133 133 ILE H H 1 9.421 0.02 . 1 . . . . 259 I HN . 18941 1 689 . 1 1 133 133 ILE HA H 1 4.966 0.02 . 1 . . . . 259 I HA . 18941 1 690 . 1 1 133 133 ILE CA C 13 59.204 0.2 . 1 . . . . 259 I CA . 18941 1 691 . 1 1 133 133 ILE CB C 13 39.472 0.2 . 1 . . . . 259 I CB . 18941 1 692 . 1 1 133 133 ILE CG1 C 13 27.736 0.2 . 4 . . . . 259 I CG1 . 18941 1 693 . 1 1 133 133 ILE N N 15 128.303 0.1 . 1 . . . . 259 I N . 18941 1 694 . 1 1 134 134 GLY H H 1 8.822 0.02 . 1 . . . . 260 G HN . 18941 1 695 . 1 1 134 134 GLY CA C 13 44.386 0.2 . 1 . . . . 260 G CA . 18941 1 696 . 1 1 134 134 GLY N N 15 113.673 0.1 . 1 . . . . 260 G N . 18941 1 697 . 1 1 135 135 ILE H H 1 8.484 0.02 . 1 . . . . 261 I HN . 18941 1 698 . 1 1 135 135 ILE HA H 1 4.975 0.02 . 1 . . . . 261 I HA . 18941 1 699 . 1 1 135 135 ILE CA C 13 59.877 0.2 . 1 . . . . 261 I CA . 18941 1 700 . 1 1 135 135 ILE CB C 13 41.935 0.2 . 1 . . . . 261 I CB . 18941 1 701 . 1 1 135 135 ILE N N 15 122.419 0.1 . 1 . . . . 261 I N . 18941 1 702 . 1 1 136 136 GLY H H 1 8.326 0.02 . 1 . . . . 262 G HN . 18941 1 703 . 1 1 136 136 GLY HA2 H 1 3.871 0.02 . 2 . . . . 262 G HA2 . 18941 1 704 . 1 1 136 136 GLY CA C 13 45.197 0.2 . 1 . . . . 262 G CA . 18941 1 705 . 1 1 136 136 GLY N N 15 110.317 0.1 . 1 . . . . 262 G N . 18941 1 706 . 1 1 137 137 LYS H H 1 8.838 0.02 . 1 . . . . 263 K HN . 18941 1 707 . 1 1 137 137 LYS CA C 13 58.872 0.2 . 1 . . . . 263 K CA . 18941 1 708 . 1 1 137 137 LYS CB C 13 32.224 0.2 . 1 . . . . 263 K CB . 18941 1 709 . 1 1 137 137 LYS CG C 13 23.647 0.2 . 1 . . . . 263 K CG . 18941 1 710 . 1 1 137 137 LYS CD C 13 29.196 0.2 . 1 . . . . 263 K CD . 18941 1 711 . 1 1 137 137 LYS CE C 13 42.109 0.2 . 1 . . . . 263 K CE . 18941 1 712 . 1 1 137 137 LYS N N 15 119.047 0.1 . 1 . . . . 263 K N . 18941 1 713 . 1 1 138 138 HIS H H 1 9.135 0.02 . 1 . . . . 264 H HN . 18941 1 714 . 1 1 138 138 HIS HA H 1 4.359 0.02 . 1 . . . . 264 H HA . 18941 1 715 . 1 1 138 138 HIS CA C 13 58.702 0.2 . 1 . . . . 264 H CA . 18941 1 716 . 1 1 138 138 HIS CB C 13 28.900 0.2 . 1 . . . . 264 H CB . 18941 1 717 . 1 1 138 138 HIS N N 15 119.175 0.1 . 1 . . . . 264 H N . 18941 1 718 . 1 1 139 139 PHE H H 1 7.683 0.02 . 1 . . . . 265 F HN . 18941 1 719 . 1 1 139 139 PHE HA H 1 5.612 0.02 . 1 . . . . 265 F HA . 18941 1 720 . 1 1 139 139 PHE CA C 13 57.437 0.2 . 1 . . . . 265 F CA . 18941 1 721 . 1 1 139 139 PHE CB C 13 38.958 0.2 . 1 . . . . 265 F CB . 18941 1 722 . 1 1 139 139 PHE N N 15 116.627 0.1 . 1 . . . . 265 F N . 18941 1 723 . 1 1 140 140 GLN H H 1 7.444 0.02 . 1 . . . . 266 Q HN . 18941 1 724 . 1 1 140 140 GLN HA H 1 4.160 0.02 . 1 . . . . 266 Q HA . 18941 1 725 . 1 1 140 140 GLN HG2 H 1 2.489 0.02 . 2 . . . . 266 Q HG1 . 18941 1 726 . 1 1 140 140 GLN CA C 13 58.620 0.2 . 1 . . . . 266 Q CA . 18941 1 727 . 1 1 140 140 GLN CB C 13 29.708 0.2 . 1 . . . . 266 Q CB . 18941 1 728 . 1 1 140 140 GLN CG C 13 32.859 0.2 . 1 . . . . 266 Q CG . 18941 1 729 . 1 1 140 140 GLN N N 15 117.675 0.1 . 1 . . . . 266 Q N . 18941 1 730 . 1 1 141 141 THR H H 1 8.071 0.02 . 1 . . . . 267 T HN . 18941 1 731 . 1 1 141 141 THR HA H 1 4.569 0.02 . 1 . . . . 267 T HA . 18941 1 732 . 1 1 141 141 THR CA C 13 59.999 0.2 . 1 . . . . 267 T CA . 18941 1 733 . 1 1 141 141 THR CB C 13 71.230 0.2 . 1 . . . . 267 T CB . 18941 1 734 . 1 1 141 141 THR N N 15 107.604 0.1 . 1 . . . . 267 T N . 18941 1 735 . 1 1 142 142 LYS H H 1 9.243 0.02 . 1 . . . . 268 K HN . 18941 1 736 . 1 1 142 142 LYS CA C 13 59.633 0.2 . 1 . . . . 268 K CA . 18941 1 737 . 1 1 142 142 LYS CB C 13 32.207 0.2 . 1 . . . . 268 K CB . 18941 1 738 . 1 1 142 142 LYS CG C 13 24.436 0.2 . 1 . . . . 268 K CG . 18941 1 739 . 1 1 142 142 LYS CD C 13 29.248 0.2 . 1 . . . . 268 K CD . 18941 1 740 . 1 1 142 142 LYS CE C 13 42.193 0.2 . 1 . . . . 268 K CE . 18941 1 741 . 1 1 142 142 LYS N N 15 125.369 0.1 . 1 . . . . 268 K N . 18941 1 742 . 1 1 143 143 GLU H H 1 9.154 0.02 . 1 . . . . 269 E HN . 18941 1 743 . 1 1 143 143 GLU HA H 1 4.003 0.02 . 1 . . . . 269 E HA . 18941 1 744 . 1 1 143 143 GLU CA C 13 61.112 0.2 . 1 . . . . 269 E CA . 18941 1 745 . 1 1 143 143 GLU CB C 13 28.582 0.2 . 1 . . . . 269 E CB . 18941 1 746 . 1 1 143 143 GLU CG C 13 37.092 0.2 . 1 . . . . 269 E CG . 18941 1 747 . 1 1 143 143 GLU N N 15 117.321 0.1 . 1 . . . . 269 E N . 18941 1 748 . 1 1 144 144 SER H H 1 7.864 0.02 . 1 . . . . 270 S HN . 18941 1 749 . 1 1 144 144 SER HA H 1 4.335 0.02 . 1 . . . . 270 S HA . 18941 1 750 . 1 1 144 144 SER CA C 13 61.284 0.2 . 1 . . . . 270 S CA . 18941 1 751 . 1 1 144 144 SER CB C 13 63.062 0.2 . 1 . . . . 270 S CB . 18941 1 752 . 1 1 144 144 SER N N 15 115.894 0.1 . 1 . . . . 270 S N . 18941 1 753 . 1 1 145 145 GLN H H 1 7.689 0.02 . 1 . . . . 271 Q HN . 18941 1 754 . 1 1 145 145 GLN HA H 1 3.797 0.02 . 1 . . . . 271 Q HA . 18941 1 755 . 1 1 145 145 GLN CA C 13 59.442 0.2 . 1 . . . . 271 Q CA . 18941 1 756 . 1 1 145 145 GLN CB C 13 27.332 0.2 . 1 . . . . 271 Q CB . 18941 1 757 . 1 1 145 145 GLN CG C 13 33.936 0.2 . 1 . . . . 271 Q CG . 18941 1 758 . 1 1 145 145 GLN N N 15 124.274 0.1 . 1 . . . . 271 Q N . 18941 1 759 . 1 1 146 146 GLU H H 1 7.901 0.02 . 1 . . . . 272 E HN . 18941 1 760 . 1 1 146 146 GLU CA C 13 58.607 0.2 . 1 . . . . 272 E CA . 18941 1 761 . 1 1 146 146 GLU CB C 13 28.764 0.2 . 1 . . . . 272 E CB . 18941 1 762 . 1 1 146 146 GLU CG C 13 37.380 0.2 . 1 . . . . 272 E CG . 18941 1 763 . 1 1 146 146 GLU N N 15 115.240 0.1 . 1 . . . . 272 E N . 18941 1 764 . 1 1 147 147 THR H H 1 7.593 0.02 . 1 . . . . 273 T HN . 18941 1 765 . 1 1 147 147 THR HA H 1 4.167 0.02 . 1 . . . . 273 T HA . 18941 1 766 . 1 1 147 147 THR CA C 13 65.561 0.2 . 1 . . . . 273 T CA . 18941 1 767 . 1 1 147 147 THR CB C 13 69.201 0.2 . 1 . . . . 273 T CB . 18941 1 768 . 1 1 147 147 THR N N 15 111.676 0.1 . 1 . . . . 273 T N . 18941 1 769 . 1 1 148 148 LEU H H 1 7.432 0.02 . 1 . . . . 274 L HN . 18941 1 770 . 1 1 148 148 LEU CA C 13 55.504 0.2 . 1 . . . . 274 L CA . 18941 1 771 . 1 1 148 148 LEU CB C 13 41.463 0.2 . 1 . . . . 274 L CB . 18941 1 772 . 1 1 148 148 LEU CD1 C 13 24.474 0.2 . 2 . . . . 274 L CD1 . 18941 1 773 . 1 1 148 148 LEU CD2 C 13 20.783 0.2 . 2 . . . . 274 L CD2 . 18941 1 774 . 1 1 148 148 LEU N N 15 117.223 0.1 . 1 . . . . 274 L N . 18941 1 775 . 1 1 149 149 HIS H H 1 7.804 0.02 . 1 . . . . 275 H HN . 18941 1 776 . 1 1 149 149 HIS HA H 1 4.109 0.02 . 1 . . . . 275 H HA . 18941 1 777 . 1 1 149 149 HIS CA C 13 58.844 0.2 . 1 . . . . 275 H CA . 18941 1 778 . 1 1 149 149 HIS CB C 13 30.710 0.2 . 1 . . . . 275 H CB . 18941 1 779 . 1 1 149 149 HIS N N 15 117.468 0.1 . 1 . . . . 275 H N . 18941 1 780 . 1 1 150 150 LYS H H 1 7.648 0.02 . 1 . . . . 276 K HN . 18941 1 781 . 1 1 150 150 LYS HA H 1 4.109 0.02 . 1 . . . . 276 K HA . 18941 1 782 . 1 1 150 150 LYS CA C 13 57.712 0.2 . 1 . . . . 276 K CA . 18941 1 783 . 1 1 150 150 LYS CB C 13 39.352 0.2 . 1 . . . . 276 K CB . 18941 1 784 . 1 1 150 150 LYS CG C 13 22.252 0.2 . 1 . . . . 276 K CG . 18941 1 785 . 1 1 150 150 LYS CD C 13 29.462 0.2 . 1 . . . . 276 K CD . 18941 1 786 . 1 1 150 150 LYS N N 15 114.311 0.1 . 1 . . . . 276 K N . 18941 1 787 . 1 1 151 151 PHE H H 1 7.083 0.02 . 1 . . . . 277 F HN . 18941 1 788 . 1 1 151 151 PHE HA H 1 4.509 0.02 . 1 . . . . 277 F HA . 18941 1 789 . 1 1 151 151 PHE CA C 13 57.338 0.2 . 1 . . . . 277 F CA . 18941 1 790 . 1 1 151 151 PHE CB C 13 39.772 0.2 . 1 . . . . 277 F CB . 18941 1 791 . 1 1 151 151 PHE N N 15 116.398 0.1 . 1 . . . . 277 F N . 18941 1 792 . 1 1 152 152 ALA H H 1 6.997 0.02 . 1 . . . . 278 A HN . 18941 1 793 . 1 1 152 152 ALA HA H 1 4.204 0.02 . 1 . . . . 278 A HA . 18941 1 794 . 1 1 152 152 ALA CA C 13 51.778 0.2 . 1 . . . . 278 A CA . 18941 1 795 . 1 1 152 152 ALA CB C 13 22.986 0.2 . 1 . . . . 278 A CB . 18941 1 796 . 1 1 152 152 ALA N N 15 121.374 0.1 . 1 . . . . 278 A N . 18941 1 797 . 1 1 153 153 SER H H 1 8.282 0.02 . 1 . . . . 279 S HN . 18941 1 798 . 1 1 153 153 SER HA H 1 4.076 0.02 . 1 . . . . 279 S HA . 18941 1 799 . 1 1 153 153 SER CA C 13 61.639 0.2 . 1 . . . . 279 S CA . 18941 1 800 . 1 1 153 153 SER N N 15 118.834 0.1 . 1 . . . . 279 S N . 18941 1 801 . 1 1 154 154 LYS H H 1 7.745 0.02 . 1 . . . . 280 K HN . 18941 1 802 . 1 1 154 154 LYS HA H 1 4.576 0.02 . 1 . . . . 280 K HA . 18941 1 803 . 1 1 154 154 LYS CA C 13 53.533 0.2 . 1 . . . . 280 K CA . 18941 1 804 . 1 1 154 154 LYS CB C 13 33.095 0.2 . 1 . . . . 280 K CB . 18941 1 805 . 1 1 154 154 LYS N N 15 117.255 0.1 . 1 . . . . 280 K N . 18941 1 806 . 1 1 155 155 PRO CA C 13 62.702 0.2 . 1 . . . . 281 P CA . 18941 1 807 . 1 1 155 155 PRO CB C 13 34.250 0.2 . 1 . . . . 281 P CB . 18941 1 808 . 1 1 155 155 PRO CG C 13 25.388 0.2 . 1 . . . . 281 P CG . 18941 1 809 . 1 1 156 156 ALA H H 1 9.075 0.02 . 1 . . . . 282 A HN . 18941 1 810 . 1 1 156 156 ALA CA C 13 55.625 0.2 . 1 . . . . 282 A CA . 18941 1 811 . 1 1 156 156 ALA CB C 13 17.052 0.2 . 1 . . . . 282 A CB . 18941 1 812 . 1 1 156 156 ALA N N 15 128.012 0.1 . 1 . . . . 282 A N . 18941 1 813 . 1 1 157 157 SER H H 1 8.175 0.02 . 1 . . . . 283 S HN . 18941 1 814 . 1 1 157 157 SER HA H 1 4.031 0.02 . 1 . . . . 283 S HA . 18941 1 815 . 1 1 157 157 SER CA C 13 60.665 0.2 . 1 . . . . 283 S CA . 18941 1 816 . 1 1 157 157 SER CB C 13 62.131 0.2 . 1 . . . . 283 S CB . 18941 1 817 . 1 1 157 157 SER N N 15 108.678 0.1 . 1 . . . . 283 S N . 18941 1 818 . 1 1 158 158 GLU H H 1 7.571 0.02 . 1 . . . . 284 E HN . 18941 1 819 . 1 1 158 158 GLU HA H 1 4.268 0.02 . 1 . . . . 284 E HA . 18941 1 820 . 1 1 158 158 GLU CA C 13 57.000 0.2 . 1 . . . . 284 E CA . 18941 1 821 . 1 1 158 158 GLU CB C 13 31.139 0.2 . 1 . . . . 284 E CB . 18941 1 822 . 1 1 158 158 GLU CG C 13 35.558 0.2 . 1 . . . . 284 E CG . 18941 1 823 . 1 1 158 158 GLU N N 15 119.932 0.1 . 1 . . . . 284 E N . 18941 1 824 . 1 1 159 159 PHE H H 1 7.155 0.02 . 1 . . . . 285 F HN . 18941 1 825 . 1 1 159 159 PHE CA C 13 59.773 0.2 . 1 . . . . 285 F CA . 18941 1 826 . 1 1 159 159 PHE CB C 13 41.043 0.2 . 1 . . . . 285 F CB . 18941 1 827 . 1 1 159 159 PHE N N 15 115.784 0.1 . 1 . . . . 285 F N . 18941 1 828 . 1 1 160 160 VAL H H 1 7.664 0.02 . 1 . . . . 286 V HN . 18941 1 829 . 1 1 160 160 VAL CA C 13 61.286 0.2 . 1 . . . . 286 V CA . 18941 1 830 . 1 1 160 160 VAL CB C 13 32.113 0.2 . 1 . . . . 286 V CB . 18941 1 831 . 1 1 160 160 VAL N N 15 118.369 0.1 . 1 . . . . 286 V N . 18941 1 832 . 1 1 161 161 LYS H H 1 9.338 0.02 . 1 . . . . 287 K HN . 18941 1 833 . 1 1 161 161 LYS HA H 1 4.938 0.02 . 1 . . . . 287 K HA . 18941 1 834 . 1 1 161 161 LYS CA C 13 53.160 0.2 . 1 . . . . 287 K CA . 18941 1 835 . 1 1 161 161 LYS CB C 13 33.940 0.2 . 1 . . . . 287 K CB . 18941 1 836 . 1 1 161 161 LYS CG C 13 24.293 0.2 . 1 . . . . 287 K CG . 18941 1 837 . 1 1 161 161 LYS CD C 13 28.140 0.2 . 1 . . . . 287 K CD . 18941 1 838 . 1 1 161 161 LYS CE C 13 41.890 0.2 . 1 . . . . 287 K CE . 18941 1 839 . 1 1 161 161 LYS N N 15 130.453 0.1 . 1 . . . . 287 K N . 18941 1 840 . 1 1 162 162 ILE H H 1 8.480 0.02 . 1 . . . . 288 I HN . 18941 1 841 . 1 1 162 162 ILE HA H 1 5.016 0.02 . 1 . . . . 288 I HA . 18941 1 842 . 1 1 162 162 ILE CA C 13 57.095 0.2 . 1 . . . . 288 I CA . 18941 1 843 . 1 1 162 162 ILE CB C 13 36.292 0.2 . 1 . . . . 288 I CB . 18941 1 844 . 1 1 162 162 ILE CG1 C 13 25.877 0.2 . 4 . . . . 288 I CG1 . 18941 1 845 . 1 1 162 162 ILE CG2 C 13 17.148 0.2 . 4 . . . . 288 I CG2 . 18941 1 846 . 1 1 162 162 ILE N N 15 124.746 0.1 . 1 . . . . 288 I N . 18941 1 847 . 1 1 163 163 LEU H H 1 8.970 0.02 . 1 . . . . 289 L HN . 18941 1 848 . 1 1 163 163 LEU HA H 1 4.826 0.02 . 1 . . . . 289 L HA . 18941 1 849 . 1 1 163 163 LEU CA C 13 52.526 0.2 . 1 . . . . 289 L CA . 18941 1 850 . 1 1 163 163 LEU CB C 13 47.311 0.2 . 1 . . . . 289 L CB . 18941 1 851 . 1 1 163 163 LEU N N 15 127.675 0.1 . 1 . . . . 289 L N . 18941 1 852 . 1 1 164 164 ASP H H 1 9.073 0.02 . 1 . . . . 290 D HN . 18941 1 853 . 1 1 164 164 ASP CA C 13 55.687 0.2 . 1 . . . . 290 D CA . 18941 1 854 . 1 1 164 164 ASP CB C 13 39.834 0.2 . 1 . . . . 290 D CB . 18941 1 855 . 1 1 164 164 ASP N N 15 121.371 0.1 . 1 . . . . 290 D N . 18941 1 856 . 1 1 165 165 THR H H 1 7.124 0.02 . 1 . . . . 291 T HN . 18941 1 857 . 1 1 165 165 THR HA H 1 4.807 0.02 . 1 . . . . 291 T HA . 18941 1 858 . 1 1 165 165 THR CA C 13 58.663 0.2 . 1 . . . . 291 T CA . 18941 1 859 . 1 1 165 165 THR CB C 13 71.238 0.2 . 1 . . . . 291 T CB . 18941 1 860 . 1 1 165 165 THR N N 15 107.345 0.1 . 1 . . . . 291 T N . 18941 1 861 . 1 1 166 166 PHE H H 1 8.720 0.02 . 1 . . . . 292 F HN . 18941 1 862 . 1 1 166 166 PHE HA H 1 3.787 0.02 . 1 . . . . 292 F HA . 18941 1 863 . 1 1 166 166 PHE CA C 13 61.653 0.2 . 1 . . . . 292 F CA . 18941 1 864 . 1 1 166 166 PHE CB C 13 39.435 0.2 . 1 . . . . 292 F CB . 18941 1 865 . 1 1 166 166 PHE N N 15 118.945 0.1 . 1 . . . . 292 F N . 18941 1 866 . 1 1 167 167 GLU H H 1 8.532 0.02 . 1 . . . . 293 E HN . 18941 1 867 . 1 1 167 167 GLU HA H 1 4.258 0.02 . 1 . . . . 293 E HA . 18941 1 868 . 1 1 167 167 GLU CA C 13 59.359 0.2 . 1 . . . . 293 E CA . 18941 1 869 . 1 1 167 167 GLU CB C 13 29.162 0.2 . 1 . . . . 293 E CB . 18941 1 870 . 1 1 167 167 GLU CG C 13 36.840 0.2 . 1 . . . . 293 E CG . 18941 1 871 . 1 1 167 167 GLU N N 15 120.992 0.1 . 1 . . . . 293 E N . 18941 1 872 . 1 1 168 168 LYS H H 1 7.064 0.02 . 1 . . . . 294 K HN . 18941 1 873 . 1 1 168 168 LYS HA H 1 4.285 0.02 . 1 . . . . 294 K HA . 18941 1 874 . 1 1 168 168 LYS CA C 13 57.276 0.2 . 1 . . . . 294 K CA . 18941 1 875 . 1 1 168 168 LYS CB C 13 33.484 0.2 . 1 . . . . 294 K CB . 18941 1 876 . 1 1 168 168 LYS CG C 13 25.939 0.2 . 1 . . . . 294 K CG . 18941 1 877 . 1 1 168 168 LYS N N 15 115.223 0.1 . 1 . . . . 294 K N . 18941 1 878 . 1 1 169 169 LEU H H 1 7.466 0.02 . 1 . . . . 295 L HN . 18941 1 879 . 1 1 169 169 LEU CA C 13 57.776 0.2 . 1 . . . . 295 L CA . 18941 1 880 . 1 1 169 169 LEU CB C 13 41.664 0.2 . 1 . . . . 295 L CB . 18941 1 881 . 1 1 169 169 LEU CD1 C 13 24.971 0.2 . 2 . . . . 295 L CD1 . 18941 1 882 . 1 1 169 169 LEU CD2 C 13 22.698 0.2 . 2 . . . . 295 L CD2 . 18941 1 883 . 1 1 169 169 LEU N N 15 120.222 0.1 . 1 . . . . 295 L N . 18941 1 884 . 1 1 170 170 LYS H H 1 7.499 0.02 . 1 . . . . 296 K HN . 18941 1 885 . 1 1 170 170 LYS HA H 1 4.272 0.02 . 1 . . . . 296 K HA . 18941 1 886 . 1 1 170 170 LYS CA C 13 58.909 0.2 . 1 . . . . 296 K CA . 18941 1 887 . 1 1 170 170 LYS CB C 13 32.125 0.2 . 1 . . . . 296 K CB . 18941 1 888 . 1 1 170 170 LYS N N 15 116.193 0.1 . 1 . . . . 296 K N . 18941 1 889 . 1 1 171 171 ASP H H 1 7.513 0.02 . 1 . . . . 297 D HN . 18941 1 890 . 1 1 171 171 ASP CA C 13 55.092 0.2 . 1 . . . . 297 D CA . 18941 1 891 . 1 1 171 171 ASP CB C 13 41.849 0.2 . 1 . . . . 297 D CB . 18941 1 892 . 1 1 171 171 ASP N N 15 117.257 0.1 . 1 . . . . 297 D N . 18941 1 893 . 1 1 172 172 LEU H H 1 7.535 0.02 . 1 . . . . 298 L HN . 18941 1 894 . 1 1 172 172 LEU CA C 13 57.142 0.2 . 1 . . . . 298 L CA . 18941 1 895 . 1 1 172 172 LEU CB C 13 42.872 0.2 . 1 . . . . 298 L CB . 18941 1 896 . 1 1 172 172 LEU N N 15 120.951 0.1 . 1 . . . . 298 L N . 18941 1 897 . 1 1 173 173 PHE H H 1 9.188 0.02 . 1 . . . . 299 F HN . 18941 1 898 . 1 1 173 173 PHE CA C 13 62.789 0.2 . 1 . . . . 299 F CA . 18941 1 899 . 1 1 173 173 PHE CB C 13 38.592 0.2 . 1 . . . . 299 F CB . 18941 1 900 . 1 1 173 173 PHE N N 15 119.264 0.1 . 1 . . . . 299 F N . 18941 1 901 . 1 1 174 174 THR H H 1 7.984 0.02 . 1 . . . . 300 T HN . 18941 1 902 . 1 1 174 174 THR CA C 13 62.359 0.2 . 1 . . . . 300 T CA . 18941 1 903 . 1 1 174 174 THR CB C 13 68.820 0.2 . 1 . . . . 300 T CB . 18941 1 904 . 1 1 174 174 THR N N 15 112.199 0.1 . 1 . . . . 300 T N . 18941 1 905 . 1 1 175 175 GLU H H 1 7.631 0.02 . 1 . . . . 301 E HN . 18941 1 906 . 1 1 175 175 GLU HA H 1 4.210 0.02 . 1 . . . . 301 E HA . 18941 1 907 . 1 1 175 175 GLU CA C 13 57.441 0.2 . 1 . . . . 301 E CA . 18941 1 908 . 1 1 175 175 GLU CB C 13 30.020 0.2 . 1 . . . . 301 E CB . 18941 1 909 . 1 1 175 175 GLU CG C 13 36.065 0.2 . 1 . . . . 301 E CG . 18941 1 910 . 1 1 175 175 GLU N N 15 119.685 0.1 . 1 . . . . 301 E N . 18941 1 911 . 1 1 176 176 LEU H H 1 7.851 0.02 . 1 . . . . 302 L HN . 18941 1 912 . 1 1 176 176 LEU CA C 13 57.164 0.2 . 1 . . . . 302 L CA . 18941 1 913 . 1 1 176 176 LEU CB C 13 42.045 0.2 . 1 . . . . 302 L CB . 18941 1 914 . 1 1 176 176 LEU CG C 13 26.677 0.2 . 1 . . . . 302 L CG . 18941 1 915 . 1 1 176 176 LEU N N 15 119.580 0.1 . 1 . . . . 302 L N . 18941 1 916 . 1 1 177 177 GLN H H 1 8.011 0.02 . 1 . . . . 303 Q HN . 18941 1 917 . 1 1 177 177 GLN CA C 13 58.204 0.2 . 1 . . . . 303 Q CA . 18941 1 918 . 1 1 177 177 GLN CB C 13 28.188 0.2 . 1 . . . . 303 Q CB . 18941 1 919 . 1 1 177 177 GLN N N 15 117.077 0.1 . 1 . . . . 303 Q N . 18941 1 920 . 1 1 178 178 LYS H H 1 7.227 0.02 . 1 . . . . 304 K HN . 18941 1 921 . 1 1 178 178 LYS N N 15 115.325 0.1 . 1 . . . . 304 K N . 18941 1 922 . 1 1 179 179 LYS H H 1 7.625 0.02 . 1 . . . . 305 K HN . 18941 1 923 . 1 1 179 179 LYS N N 15 116.100 0.1 . 1 . . . . 305 K N . 18941 1 924 . 1 1 180 180 ILE H H 1 7.403 0.02 . 1 . . . . 306 I HN . 18941 1 925 . 1 1 180 180 ILE N N 15 116.808 0.1 . 1 . . . . 306 I N . 18941 1 926 . 1 1 181 181 TYR H H 1 7.309 0.02 . 1 . . . . 307 Y HN . 18941 1 927 . 1 1 181 181 TYR N N 15 126.513 0.1 . 1 . . . . 307 Y N . 18941 1 stop_ save_