data_17740 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17740 _Entry.Title ; Backbone 1H, 13C, 15N assignment of Hck kinase regulatory segment ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-06-28 _Entry.Accession_date 2011-06-28 _Entry.Last_release_date 2011-09-01 _Entry.Original_release_date 2011-09-01 _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 Jinwon Jung . . . 17740 2 In-Ja Byeon . L. . 17740 3 Jinwoo Ahn . . . 17740 4 Angela Gronenborn . M. . 17740 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17740 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 482 17740 '15N chemical shifts' 170 17740 '1H chemical shifts' 170 17740 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 . . 2011-09-01 2011-06-28 original author . 17740 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 3NHN 'corresponding Crystal structure' 17740 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 17740 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 21365684 _Citation.Full_citation . _Citation.Title 'Structure, dynamics, and Hck interaction of full-length HIV-1 Nef.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Proteins _Citation.Journal_name_full Proteins _Citation.Journal_volume 79 _Citation.Journal_issue 5 _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 1609 _Citation.Page_last 1622 _Citation.Year 2011 _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 Jinwon Jung . . . 17740 1 2 In-Ja Byeon . L. . 17740 1 3 Jinwoo Ahn . . . 17740 1 4 Angela Gronenborn . M. . 17740 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID AIDS 17740 1 Hck 17740 1 HIV 17740 1 Nef 17740 1 SH2 17740 1 SH3 17740 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17740 _Assembly.ID 1 _Assembly.Name Hck _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 Hck32L 1 $Hck32L A . yes native no no . . . 17740 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 3NHN . . X-ray . . . 17740 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Hck32L _Entity.Sf_category entity _Entity.Sf_framecode Hck32L _Entity.Entry_ID 17740 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Hck32L _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 ; GIREAGSEDIIVVALYDYEA IHHEDLSFQKGDQMVVLEES GEWWKARSLATRKEGYIPSN YVARVDSLETEEWFFKGISR KDAERQLLAPGNMLGSFMIR DSETTKGSYSLSVRDYDPRQ GDTVKHYKIRTLDNGGFYIS PRSTFSTLQELVDHYKKGND GLCQKLSVPCMSSKPQKPWE KDAWELEHHHHHH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'This construct is 72-256 of Hck kinase. Last 8 residues (LEHHHHHH) are a histag.' _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 193 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment 'regulatory domain of Hck kinase' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 17819 . Hck32L . . . . . 100.00 193 100.00 100.00 6.36e-141 . . . . 17740 1 2 no PDB 1AD5 . "Src Family Kinase Hck-Amp-Pnp Complex" . . . . . 92.75 438 99.44 100.00 1.62e-126 . . . . 17740 1 3 no PDB 1QCF . "Crystal Structure Of Hck In Complex With A Src Family- Selective Tyrosine Kinase Inhibitor" . . . . . 91.71 454 99.44 100.00 1.03e-124 . . . . 17740 1 4 no PDB 2C0I . "Src Family Kinase Hck With Bound Inhibitor A-420983" . . . . . 91.71 454 99.44 100.00 1.03e-124 . . . . 17740 1 5 no PDB 2C0O . "Src Family Kinase Hck With Bound Inhibitor A-770041" . . . . . 91.71 454 99.44 100.00 1.03e-124 . . . . 17740 1 6 no PDB 2C0T . "Src Family Kinase Hck With Bound Inhibitor A-641359" . . . . . 91.71 454 99.44 100.00 1.03e-124 . . . . 17740 1 7 no PDB 2HCK . "Src Family Kinase Hck-Quercetin Complex" . . . . . 92.75 438 99.44 100.00 1.62e-126 . . . . 17740 1 8 no PDB 3HCK . "Nmr Ensemble Of The Uncomplexed Human Hck Sh2 Domain, 20 Structures" . . . . . 55.44 107 99.07 100.00 1.18e-71 . . . . 17740 1 9 no PDB 3NHN . "Crystal Structure Of The Src-Family Kinase Hck Sh3-Sh2-Linker Regulatory Region" . . . . . 100.00 193 100.00 100.00 6.36e-141 . . . . 17740 1 10 no PDB 3VRY . "Crystal Structure Of Hck Complexed With A Pyrrolo-pyrimidine Inhibitor 4-amino-5-(4-phenoxyphenyl)-7h-pyrrolo[2,3-d]pyrimidin-7" . . . . . 91.71 454 99.44 100.00 1.03e-124 . . . . 17740 1 11 no PDB 3VRZ . "Crystal Structure Of Hck Complexed With A Pyrrolo-pyrimidine Inhibitor 1-[4-(4-amino-7-cyclopentyl-7h-pyrrolo[2,3-d]pyrimidin-5" . . . . . 91.71 454 99.44 100.00 1.03e-124 . . . . 17740 1 12 no PDB 3VS0 . "Crystal Structure Of Hck Complexed With A Pyrrolo-pyrimidine Inhibitor N-[4-(4-amino-7-cyclopentyl-7h-pyrrolo[2,3-d]pyrimidin-5" . . . . . 91.71 454 99.44 100.00 1.03e-124 . . . . 17740 1 13 no PDB 3VS1 . "Crystal Structure Of Hck Complexed With A Pyrrolo-pyrimidine Inhibitor 1-[4-(4-amino-7-cyclopentyl-7h-pyrrolo[2,3-d]pyrimidin-5" . . . . . 91.71 454 99.44 100.00 1.03e-124 . . . . 17740 1 14 no PDB 3VS2 . "Crystal Structure Of Hck Complexed With A Pyrrolo-pyrimidine Inhibitor 7-[cis-4-(4-methylpiperazin-1-yl)cyclohexyl]-5-(4-phenox" . . . . . 91.71 454 99.44 100.00 1.03e-124 . . . . 17740 1 15 no PDB 3VS3 . "Crystal Structure Of Hck Complexed With A Pyrrolo-pyrimidine Inhibitor 7-[trans-4-(4-methylpiperazin-1-yl)cyclohexyl]-5-(4-phen" . . . . . 91.71 454 99.44 100.00 1.03e-124 . . . . 17740 1 16 no PDB 3VS4 . "Crystal Structure Of Hck Complexed With A Pyrrolo-pyrimidine Inhibitor 5-(4-phenoxyphenyl)-7-(tetrahydro-2h-pyran-4-yl)-7h-pyrr" . . . . . 91.71 454 99.44 100.00 1.03e-124 . . . . 17740 1 17 no PDB 3VS5 . "Crystal Structure Of Hck Complexed With A Pyrrolo-pyrimidine Inhibitor 7-(1-methylpiperidin-4-yl)-5-(4-phenoxyphenyl)-7h-pyrrol" . . . . . 91.71 454 99.44 100.00 1.03e-124 . . . . 17740 1 18 no PDB 3VS6 . "Crystal Structure Of Hck Complexed With A Pyrazolo-pyrimidine Inhibitor Tert-butyl {4-[4-amino-1-(propan-2-yl)-1h-pyrazolo[3,4-" . . . . . 91.71 454 99.44 100.00 1.03e-124 . . . . 17740 1 19 no PDB 3VS7 . "Crystal Structure Of Hck Complexed With A Pyrazolo-pyrimidine Inhibitor 1-cyclopentyl-3-(1h-pyrrolo[2,3-b]pyridin-5-yl)-1h- Pyr" . . . . . 91.71 454 99.44 100.00 1.03e-124 . . . . 17740 1 20 no PDB 4LUD . "Crystal Structure Of Hck In Complex With The Fluorescent Compound Skf86002" . . . . . 91.71 454 99.44 100.00 1.03e-124 . . . . 17740 1 21 no PDB 4LUE . "Crystal Structure Of Hck In Complex With 7-[trans-4-(4- Methylpiperazin-1-yl)cyclohexyl]-5-(4-phenoxyphenyl)-7h-pyrrolo[2,3- D]" . . . . . 91.71 454 99.44 100.00 1.03e-124 . . . . 17740 1 22 no DBJ BAB15482 . "unnamed protein product [Homo sapiens]" . . . . . 96.37 505 98.92 99.46 2.12e-129 . . . . 17740 1 23 no DBJ BAF82585 . "unnamed protein product [Homo sapiens]" . . . . . 96.37 504 97.85 99.46 1.99e-127 . . . . 17740 1 24 no DBJ BAF83617 . "unnamed protein product [Homo sapiens]" . . . . . 96.37 506 99.46 100.00 3.43e-131 . . . . 17740 1 25 no DBJ BAG60878 . "unnamed protein product [Homo sapiens]" . . . . . 96.37 505 99.46 100.00 3.66e-131 . . . . 17740 1 26 no EMBL CAC44031 . "hck protein [Macaca fascicularis]" . . . . . 96.37 504 97.31 98.92 6.46e-126 . . . . 17740 1 27 no GB AAA52643 . "protein-tyrosine kinase [Homo sapiens]" . . . . . 96.37 505 99.46 100.00 2.89e-131 . . . . 17740 1 28 no GB AAA52644 . "protein-tyrosine kinase [Homo sapiens]" . . . . . 96.37 505 99.46 100.00 3.66e-131 . . . . 17740 1 29 no GB AAH14435 . "Hemopoietic cell kinase [Homo sapiens]" . . . . . 96.37 526 99.46 100.00 1.12e-130 . . . . 17740 1 30 no GB AAH94847 . "Hemopoietic cell kinase [Homo sapiens]" . . . . . 96.37 526 99.46 100.00 1.12e-130 . . . . 17740 1 31 no GB AAI08931 . "Hemopoietic cell kinase [Homo sapiens]" . . . . . 96.37 526 99.46 100.00 1.12e-130 . . . . 17740 1 32 no REF NP_001165600 . "tyrosine-protein kinase HCK isoform b [Homo sapiens]" . . . . . 96.37 505 99.46 100.00 3.66e-131 . . . . 17740 1 33 no REF NP_001165601 . "tyrosine-protein kinase HCK isoform c [Homo sapiens]" . . . . . 96.37 525 98.92 99.46 2.94e-128 . . . . 17740 1 34 no REF NP_001165602 . "tyrosine-protein kinase HCK isoform d [Homo sapiens]" . . . . . 96.37 504 98.92 99.46 1.42e-128 . . . . 17740 1 35 no REF NP_001165603 . "tyrosine-protein kinase HCK isoform e [Homo sapiens]" . . . . . 96.37 506 99.46 100.00 3.43e-131 . . . . 17740 1 36 no REF NP_001165604 . "tyrosine-protein kinase HCK isoform b [Homo sapiens]" . . . . . 96.37 505 99.46 100.00 3.66e-131 . . . . 17740 1 37 no SP P08631 . "RecName: Full=Tyrosine-protein kinase HCK; AltName: Full=Hematopoietic cell kinase; AltName: Full=Hemopoietic cell kinase; AltN" . . . . . 96.37 526 99.46 100.00 1.12e-130 . . . . 17740 1 38 no SP Q95M30 . "RecName: Full=Tyrosine-protein kinase HCK; AltName: Full=Hematopoietic cell kinase; AltName: Full=Hemopoietic cell kinase; AltN" . . . . . 96.37 504 97.31 98.92 6.46e-126 . . . . 17740 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Regulatory domain of Hck' 17740 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 72 GLY . 17740 1 2 73 ILE . 17740 1 3 74 ARG . 17740 1 4 75 GLU . 17740 1 5 76 ALA . 17740 1 6 77 GLY . 17740 1 7 78 SER . 17740 1 8 79 GLU . 17740 1 9 80 ASP . 17740 1 10 81 ILE . 17740 1 11 82 ILE . 17740 1 12 83 VAL . 17740 1 13 84 VAL . 17740 1 14 85 ALA . 17740 1 15 86 LEU . 17740 1 16 87 TYR . 17740 1 17 88 ASP . 17740 1 18 89 TYR . 17740 1 19 90 GLU . 17740 1 20 91 ALA . 17740 1 21 92 ILE . 17740 1 22 93 HIS . 17740 1 23 94 HIS . 17740 1 24 95 GLU . 17740 1 25 96 ASP . 17740 1 26 97 LEU . 17740 1 27 98 SER . 17740 1 28 99 PHE . 17740 1 29 100 GLN . 17740 1 30 101 LYS . 17740 1 31 102 GLY . 17740 1 32 103 ASP . 17740 1 33 104 GLN . 17740 1 34 105 MET . 17740 1 35 106 VAL . 17740 1 36 107 VAL . 17740 1 37 108 LEU . 17740 1 38 109 GLU . 17740 1 39 110 GLU . 17740 1 40 111 SER . 17740 1 41 112 GLY . 17740 1 42 113 GLU . 17740 1 43 114 TRP . 17740 1 44 115 TRP . 17740 1 45 116 LYS . 17740 1 46 117 ALA . 17740 1 47 118 ARG . 17740 1 48 119 SER . 17740 1 49 120 LEU . 17740 1 50 121 ALA . 17740 1 51 122 THR . 17740 1 52 123 ARG . 17740 1 53 124 LYS . 17740 1 54 125 GLU . 17740 1 55 126 GLY . 17740 1 56 127 TYR . 17740 1 57 128 ILE . 17740 1 58 129 PRO . 17740 1 59 130 SER . 17740 1 60 131 ASN . 17740 1 61 132 TYR . 17740 1 62 133 VAL . 17740 1 63 134 ALA . 17740 1 64 135 ARG . 17740 1 65 136 VAL . 17740 1 66 137 ASP . 17740 1 67 138 SER . 17740 1 68 139 LEU . 17740 1 69 140 GLU . 17740 1 70 141 THR . 17740 1 71 142 GLU . 17740 1 72 143 GLU . 17740 1 73 144 TRP . 17740 1 74 145 PHE . 17740 1 75 146 PHE . 17740 1 76 147 LYS . 17740 1 77 148 GLY . 17740 1 78 149 ILE . 17740 1 79 150 SER . 17740 1 80 151 ARG . 17740 1 81 152 LYS . 17740 1 82 153 ASP . 17740 1 83 154 ALA . 17740 1 84 155 GLU . 17740 1 85 156 ARG . 17740 1 86 157 GLN . 17740 1 87 158 LEU . 17740 1 88 159 LEU . 17740 1 89 160 ALA . 17740 1 90 161 PRO . 17740 1 91 162 GLY . 17740 1 92 163 ASN . 17740 1 93 164 MET . 17740 1 94 165 LEU . 17740 1 95 166 GLY . 17740 1 96 167 SER . 17740 1 97 168 PHE . 17740 1 98 169 MET . 17740 1 99 170 ILE . 17740 1 100 171 ARG . 17740 1 101 172 ASP . 17740 1 102 173 SER . 17740 1 103 174 GLU . 17740 1 104 175 THR . 17740 1 105 176 THR . 17740 1 106 177 LYS . 17740 1 107 178 GLY . 17740 1 108 179 SER . 17740 1 109 180 TYR . 17740 1 110 181 SER . 17740 1 111 182 LEU . 17740 1 112 183 SER . 17740 1 113 184 VAL . 17740 1 114 185 ARG . 17740 1 115 186 ASP . 17740 1 116 187 TYR . 17740 1 117 188 ASP . 17740 1 118 189 PRO . 17740 1 119 190 ARG . 17740 1 120 191 GLN . 17740 1 121 192 GLY . 17740 1 122 193 ASP . 17740 1 123 194 THR . 17740 1 124 195 VAL . 17740 1 125 196 LYS . 17740 1 126 197 HIS . 17740 1 127 198 TYR . 17740 1 128 199 LYS . 17740 1 129 200 ILE . 17740 1 130 201 ARG . 17740 1 131 202 THR . 17740 1 132 203 LEU . 17740 1 133 204 ASP . 17740 1 134 205 ASN . 17740 1 135 206 GLY . 17740 1 136 207 GLY . 17740 1 137 208 PHE . 17740 1 138 209 TYR . 17740 1 139 210 ILE . 17740 1 140 211 SER . 17740 1 141 212 PRO . 17740 1 142 213 ARG . 17740 1 143 214 SER . 17740 1 144 215 THR . 17740 1 145 216 PHE . 17740 1 146 217 SER . 17740 1 147 218 THR . 17740 1 148 219 LEU . 17740 1 149 220 GLN . 17740 1 150 221 GLU . 17740 1 151 222 LEU . 17740 1 152 223 VAL . 17740 1 153 224 ASP . 17740 1 154 225 HIS . 17740 1 155 226 TYR . 17740 1 156 227 LYS . 17740 1 157 228 LYS . 17740 1 158 229 GLY . 17740 1 159 230 ASN . 17740 1 160 231 ASP . 17740 1 161 232 GLY . 17740 1 162 233 LEU . 17740 1 163 234 CYS . 17740 1 164 235 GLN . 17740 1 165 236 LYS . 17740 1 166 237 LEU . 17740 1 167 238 SER . 17740 1 168 239 VAL . 17740 1 169 240 PRO . 17740 1 170 241 CYS . 17740 1 171 242 MET . 17740 1 172 243 SER . 17740 1 173 244 SER . 17740 1 174 245 LYS . 17740 1 175 246 PRO . 17740 1 176 247 GLN . 17740 1 177 248 LYS . 17740 1 178 249 PRO . 17740 1 179 250 TRP . 17740 1 180 251 GLU . 17740 1 181 252 LYS . 17740 1 182 253 ASP . 17740 1 183 254 ALA . 17740 1 184 255 TRP . 17740 1 185 256 GLU . 17740 1 186 257 LEU . 17740 1 187 258 GLU . 17740 1 188 259 HIS . 17740 1 189 260 HIS . 17740 1 190 261 HIS . 17740 1 191 262 HIS . 17740 1 192 263 HIS . 17740 1 193 264 HIS . 17740 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 17740 1 . ILE 2 2 17740 1 . ARG 3 3 17740 1 . GLU 4 4 17740 1 . ALA 5 5 17740 1 . GLY 6 6 17740 1 . SER 7 7 17740 1 . GLU 8 8 17740 1 . ASP 9 9 17740 1 . ILE 10 10 17740 1 . ILE 11 11 17740 1 . VAL 12 12 17740 1 . VAL 13 13 17740 1 . ALA 14 14 17740 1 . LEU 15 15 17740 1 . TYR 16 16 17740 1 . ASP 17 17 17740 1 . TYR 18 18 17740 1 . GLU 19 19 17740 1 . ALA 20 20 17740 1 . ILE 21 21 17740 1 . HIS 22 22 17740 1 . HIS 23 23 17740 1 . GLU 24 24 17740 1 . ASP 25 25 17740 1 . LEU 26 26 17740 1 . SER 27 27 17740 1 . PHE 28 28 17740 1 . GLN 29 29 17740 1 . LYS 30 30 17740 1 . GLY 31 31 17740 1 . ASP 32 32 17740 1 . GLN 33 33 17740 1 . MET 34 34 17740 1 . VAL 35 35 17740 1 . VAL 36 36 17740 1 . LEU 37 37 17740 1 . GLU 38 38 17740 1 . GLU 39 39 17740 1 . SER 40 40 17740 1 . GLY 41 41 17740 1 . GLU 42 42 17740 1 . TRP 43 43 17740 1 . TRP 44 44 17740 1 . LYS 45 45 17740 1 . ALA 46 46 17740 1 . ARG 47 47 17740 1 . SER 48 48 17740 1 . LEU 49 49 17740 1 . ALA 50 50 17740 1 . THR 51 51 17740 1 . ARG 52 52 17740 1 . LYS 53 53 17740 1 . GLU 54 54 17740 1 . GLY 55 55 17740 1 . TYR 56 56 17740 1 . ILE 57 57 17740 1 . PRO 58 58 17740 1 . SER 59 59 17740 1 . ASN 60 60 17740 1 . TYR 61 61 17740 1 . VAL 62 62 17740 1 . ALA 63 63 17740 1 . ARG 64 64 17740 1 . VAL 65 65 17740 1 . ASP 66 66 17740 1 . SER 67 67 17740 1 . LEU 68 68 17740 1 . GLU 69 69 17740 1 . THR 70 70 17740 1 . GLU 71 71 17740 1 . GLU 72 72 17740 1 . TRP 73 73 17740 1 . PHE 74 74 17740 1 . PHE 75 75 17740 1 . LYS 76 76 17740 1 . GLY 77 77 17740 1 . ILE 78 78 17740 1 . SER 79 79 17740 1 . ARG 80 80 17740 1 . LYS 81 81 17740 1 . ASP 82 82 17740 1 . ALA 83 83 17740 1 . GLU 84 84 17740 1 . ARG 85 85 17740 1 . GLN 86 86 17740 1 . LEU 87 87 17740 1 . LEU 88 88 17740 1 . ALA 89 89 17740 1 . PRO 90 90 17740 1 . GLY 91 91 17740 1 . ASN 92 92 17740 1 . MET 93 93 17740 1 . LEU 94 94 17740 1 . GLY 95 95 17740 1 . SER 96 96 17740 1 . PHE 97 97 17740 1 . MET 98 98 17740 1 . ILE 99 99 17740 1 . ARG 100 100 17740 1 . ASP 101 101 17740 1 . SER 102 102 17740 1 . GLU 103 103 17740 1 . THR 104 104 17740 1 . THR 105 105 17740 1 . LYS 106 106 17740 1 . GLY 107 107 17740 1 . SER 108 108 17740 1 . TYR 109 109 17740 1 . SER 110 110 17740 1 . LEU 111 111 17740 1 . SER 112 112 17740 1 . VAL 113 113 17740 1 . ARG 114 114 17740 1 . ASP 115 115 17740 1 . TYR 116 116 17740 1 . ASP 117 117 17740 1 . PRO 118 118 17740 1 . ARG 119 119 17740 1 . GLN 120 120 17740 1 . GLY 121 121 17740 1 . ASP 122 122 17740 1 . THR 123 123 17740 1 . VAL 124 124 17740 1 . LYS 125 125 17740 1 . HIS 126 126 17740 1 . TYR 127 127 17740 1 . LYS 128 128 17740 1 . ILE 129 129 17740 1 . ARG 130 130 17740 1 . THR 131 131 17740 1 . LEU 132 132 17740 1 . ASP 133 133 17740 1 . ASN 134 134 17740 1 . GLY 135 135 17740 1 . GLY 136 136 17740 1 . PHE 137 137 17740 1 . TYR 138 138 17740 1 . ILE 139 139 17740 1 . SER 140 140 17740 1 . PRO 141 141 17740 1 . ARG 142 142 17740 1 . SER 143 143 17740 1 . THR 144 144 17740 1 . PHE 145 145 17740 1 . SER 146 146 17740 1 . THR 147 147 17740 1 . LEU 148 148 17740 1 . GLN 149 149 17740 1 . GLU 150 150 17740 1 . LEU 151 151 17740 1 . VAL 152 152 17740 1 . ASP 153 153 17740 1 . HIS 154 154 17740 1 . TYR 155 155 17740 1 . LYS 156 156 17740 1 . LYS 157 157 17740 1 . GLY 158 158 17740 1 . ASN 159 159 17740 1 . ASP 160 160 17740 1 . GLY 161 161 17740 1 . LEU 162 162 17740 1 . CYS 163 163 17740 1 . GLN 164 164 17740 1 . LYS 165 165 17740 1 . LEU 166 166 17740 1 . SER 167 167 17740 1 . VAL 168 168 17740 1 . PRO 169 169 17740 1 . CYS 170 170 17740 1 . MET 171 171 17740 1 . SER 172 172 17740 1 . SER 173 173 17740 1 . LYS 174 174 17740 1 . PRO 175 175 17740 1 . GLN 176 176 17740 1 . LYS 177 177 17740 1 . PRO 178 178 17740 1 . TRP 179 179 17740 1 . GLU 180 180 17740 1 . LYS 181 181 17740 1 . ASP 182 182 17740 1 . ALA 183 183 17740 1 . TRP 184 184 17740 1 . GLU 185 185 17740 1 . LEU 186 186 17740 1 . GLU 187 187 17740 1 . HIS 188 188 17740 1 . HIS 189 189 17740 1 . HIS 190 190 17740 1 . HIS 191 191 17740 1 . HIS 192 192 17740 1 . HIS 193 193 17740 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 17740 _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 $Hck32L . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 17740 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 17740 _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 $Hck32L . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21 Rosetta2(DE3) . . . . . . . . . . . . . . pET21 . . . . . . 17740 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17740 _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 Hck32L '[U-13C; U-15N; U-2H]' . . 1 $Hck32L . . 0.3 . . mM . . . . 17740 1 2 H2O 'natural abundance' . . . . . . 95 . . % . . . . 17740 1 3 D2O 'natural abundance' . . . . . . 5 . . % . . . . 17740 1 4 DTT 'natural abundance' . . . . . . 10 . . mM . . . . 17740 1 5 HEPES 'natural abundance' . . . . . . 10 . . mM . . . . 17740 1 6 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 17740 1 7 'sodium azide' 'natural abundance' . . . . . . 0.02 . . w/v . . . . 17740 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 17740 _Sample.ID 2 _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 Hck32L '[U-13C; U-15N; U-2H]' . . 1 $Hck32L . . 0.6 . . mM . . . . 17740 2 2 H2O 'natural abundance' . . . . . . 95 . . % . . . . 17740 2 3 D2O 'natural abundance' . . . . . . 5 . . % . . . . 17740 2 4 DTT 'natural abundance' . . . . . . 10 . . mM . . . . 17740 2 5 HEPES 'natural abundance' . . . . . . 10 . . mM . . . . 17740 2 6 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 17740 2 7 'sodium azide' 'natural abundance' . . . . . . 0.02 . . w/v . . . . 17740 2 8 glutamate 'natural abundance' . . . . . . 50 . . mM . . . . 17740 2 9 arginine 'natural abundance' . . . . . . 50 . . mM . . . . 17740 2 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 17740 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.1 . M 17740 1 pH 8.0 . pH 17740 1 pressure 1 . atm 17740 1 temperature 300 . K 17740 1 stop_ save_ save_sample_conditions_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_2 _Sample_condition_list.Entry_ID 17740 _Sample_condition_list.ID 2 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.1 . M 17740 2 pH 7.2 . pH 17740 2 pressure 1 . atm 17740 2 temperature 300 . K 17740 2 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 17740 _Software.ID 1 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 17740 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 17740 1 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 17740 _Software.ID 2 _Software.Name TOPSPIN _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 17740 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 17740 2 stop_ save_ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 17740 _Software.ID 3 _Software.Name CARA _Software.Version 1.8.4 _Software.Details ; CARA is the application for the analysis of NMR spectra and computer aided resonance assignment developed at and used by the group of Prof. Dr. Kurt W thrich, Institute of Molecular Biology and Biophysics, ETH Z rich. ; loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Rochus Keller' . http://www.nmr.ch 17740 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 17740 3 'data analysis' 17740 3 'peak picking' 17740 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 17740 _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 17740 _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 . . . 17740 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 17740 _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 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17740 1 2 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17740 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17740 1 4 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17740 1 5 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17740 1 6 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17740 1 7 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17740 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 17740 _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 external indirect 0.251449530 'separate tube (no insert) not similar to the experimental sample tube' cylindrical parallel . . . . . . 17740 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 external direct 1.000000000 'separate tube (no insert) not similar to the experimental sample tube' cylindrical parallel . . . . . . 17740 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 external indirect 0.101329118 'separate tube (no insert) not similar to the experimental sample tube' cylindrical parallel . . . . . . 17740 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 17740 _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 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.3 _Assigned_chem_shift_list.Chem_shift_15N_err 0.3 _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 'Digital resolution of spectra' _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' . . . 17740 1 2 '3D HNCACB' . . . 17740 1 3 '3D CBCA(CO)NH' . . . 17740 1 4 '3D HNCA' . . . 17740 1 5 '3D HNCO' . . . 17740 1 6 '3D HN(CO)CA' . . . 17740 1 7 '3D HN(CA)CO' . . . 17740 1 stop_ loop_ _Systematic_chem_shift_offset.Type _Systematic_chem_shift_offset.Atom_type _Systematic_chem_shift_offset.Atom_isotope_number _Systematic_chem_shift_offset.Val _Systematic_chem_shift_offset.Val_err _Systematic_chem_shift_offset.Entry_ID _Systematic_chem_shift_offset.Assigned_chem_shift_list_ID '2H isotope effect' 'all 13C' . . . 17740 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 3 3 ARG H H 1 8.450 0.02 . 1 . . . . 74 ARG H . 17740 1 2 . 1 1 3 3 ARG C C 13 176.147 0.3 . 1 . . . . 74 ARG C . 17740 1 3 . 1 1 3 3 ARG CA C 13 55.630 0.3 . 1 . . . . 74 ARG CA . 17740 1 4 . 1 1 3 3 ARG CB C 13 29.484 0.3 . 1 . . . . 74 ARG CB . 17740 1 5 . 1 1 3 3 ARG N N 15 124.245 0.3 . 1 . . . . 74 ARG N . 17740 1 6 . 1 1 4 4 GLU H H 1 8.502 0.02 . 1 . . . . 75 GLU H . 17740 1 7 . 1 1 4 4 GLU C C 13 176.203 0.3 . 1 . . . . 75 GLU C . 17740 1 8 . 1 1 4 4 GLU CA C 13 55.685 0.3 . 1 . . . . 75 GLU CA . 17740 1 9 . 1 1 4 4 GLU CB C 13 29.139 0.3 . 1 . . . . 75 GLU CB . 17740 1 10 . 1 1 4 4 GLU N N 15 122.440 0.3 . 1 . . . . 75 GLU N . 17740 1 11 . 1 1 5 5 ALA H H 1 8.424 0.02 . 1 . . . . 76 ALA H . 17740 1 12 . 1 1 5 5 ALA C C 13 178.245 0.3 . 1 . . . . 76 ALA C . 17740 1 13 . 1 1 5 5 ALA CA C 13 52.296 0.3 . 1 . . . . 76 ALA CA . 17740 1 14 . 1 1 5 5 ALA CB C 13 17.992 0.3 . 1 . . . . 76 ALA CB . 17740 1 15 . 1 1 5 5 ALA N N 15 125.264 0.3 . 1 . . . . 76 ALA N . 17740 1 16 . 1 1 6 6 GLY H H 1 8.537 0.02 . 1 . . . . 77 GLY H . 17740 1 17 . 1 1 6 6 GLY CA C 13 44.602 0.3 . 1 . . . . 77 GLY CA . 17740 1 18 . 1 1 6 6 GLY N N 15 108.738 0.3 . 1 . . . . 77 GLY N . 17740 1 19 . 1 1 7 7 SER H H 1 8.104 0.02 . 1 . . . . 78 SER H . 17740 1 20 . 1 1 7 7 SER C C 13 174.451 0.3 . 1 . . . . 78 SER C . 17740 1 21 . 1 1 7 7 SER CA C 13 57.656 0.3 . 1 . . . . 78 SER CA . 17740 1 22 . 1 1 7 7 SER CB C 13 62.914 0.3 . 1 . . . . 78 SER CB . 17740 1 23 . 1 1 7 7 SER N N 15 115.214 0.3 . 1 . . . . 78 SER N . 17740 1 24 . 1 1 8 8 GLU H H 1 8.520 0.02 . 1 . . . . 79 GLU H . 17740 1 25 . 1 1 8 8 GLU C C 13 175.954 0.3 . 1 . . . . 79 GLU C . 17740 1 26 . 1 1 8 8 GLU CA C 13 55.477 0.3 . 1 . . . . 79 GLU CA . 17740 1 27 . 1 1 8 8 GLU CB C 13 29.050 0.3 . 1 . . . . 79 GLU CB . 17740 1 28 . 1 1 8 8 GLU N N 15 122.120 0.3 . 1 . . . . 79 GLU N . 17740 1 29 . 1 1 9 9 ASP H H 1 8.172 0.02 . 1 . . . . 80 ASP H . 17740 1 30 . 1 1 9 9 ASP C C 13 175.781 0.3 . 1 . . . . 80 ASP C . 17740 1 31 . 1 1 9 9 ASP CA C 13 54.011 0.3 . 1 . . . . 80 ASP CA . 17740 1 32 . 1 1 9 9 ASP CB C 13 40.813 0.3 . 1 . . . . 80 ASP CB . 17740 1 33 . 1 1 9 9 ASP N N 15 120.870 0.3 . 1 . . . . 80 ASP N . 17740 1 34 . 1 1 10 10 ILE H H 1 8.833 0.02 . 1 . . . . 81 ILE H . 17740 1 35 . 1 1 10 10 ILE C C 13 174.060 0.3 . 1 . . . . 81 ILE C . 17740 1 36 . 1 1 10 10 ILE CA C 13 60.333 0.3 . 1 . . . . 81 ILE CA . 17740 1 37 . 1 1 10 10 ILE CB C 13 36.515 0.3 . 1 . . . . 81 ILE CB . 17740 1 38 . 1 1 10 10 ILE N N 15 123.623 0.3 . 1 . . . . 81 ILE N . 17740 1 39 . 1 1 11 11 ILE H H 1 8.106 0.02 . 1 . . . . 82 ILE H . 17740 1 40 . 1 1 11 11 ILE C C 13 176.628 0.3 . 1 . . . . 82 ILE C . 17740 1 41 . 1 1 11 11 ILE CA C 13 58.408 0.3 . 1 . . . . 82 ILE CA . 17740 1 42 . 1 1 11 11 ILE CB C 13 36.748 0.3 . 1 . . . . 82 ILE CB . 17740 1 43 . 1 1 11 11 ILE N N 15 127.053 0.3 . 1 . . . . 82 ILE N . 17740 1 44 . 1 1 12 12 VAL H H 1 9.161 0.02 . 1 . . . . 83 VAL H . 17740 1 45 . 1 1 12 12 VAL C C 13 173.395 0.3 . 1 . . . . 83 VAL C . 17740 1 46 . 1 1 12 12 VAL CA C 13 57.129 0.3 . 1 . . . . 83 VAL CA . 17740 1 47 . 1 1 12 12 VAL CB C 13 34.200 0.3 . 1 . . . . 83 VAL CB . 17740 1 48 . 1 1 12 12 VAL N N 15 118.423 0.3 . 1 . . . . 83 VAL N . 17740 1 49 . 1 1 13 13 VAL H H 1 9.178 0.02 . 1 . . . . 84 VAL H . 17740 1 50 . 1 1 13 13 VAL C C 13 174.485 0.3 . 1 . . . . 84 VAL C . 17740 1 51 . 1 1 13 13 VAL CA C 13 57.292 0.3 . 1 . . . . 84 VAL CA . 17740 1 52 . 1 1 13 13 VAL CB C 13 33.441 0.3 . 1 . . . . 84 VAL CB . 17740 1 53 . 1 1 13 13 VAL N N 15 118.198 0.3 . 1 . . . . 84 VAL N . 17740 1 54 . 1 1 14 14 ALA H H 1 8.444 0.02 . 1 . . . . 85 ALA H . 17740 1 55 . 1 1 14 14 ALA C C 13 179.086 0.3 . 1 . . . . 85 ALA C . 17740 1 56 . 1 1 14 14 ALA CA C 13 51.600 0.3 . 1 . . . . 85 ALA CA . 17740 1 57 . 1 1 14 14 ALA CB C 13 20.377 0.3 . 1 . . . . 85 ALA CB . 17740 1 58 . 1 1 14 14 ALA N N 15 126.111 0.3 . 1 . . . . 85 ALA N . 17740 1 59 . 1 1 15 15 LEU H H 1 9.418 0.02 . 1 . . . . 86 LEU H . 17740 1 60 . 1 1 15 15 LEU C C 13 174.885 0.3 . 1 . . . . 86 LEU C . 17740 1 61 . 1 1 15 15 LEU CA C 13 54.852 0.3 . 1 . . . . 86 LEU CA . 17740 1 62 . 1 1 15 15 LEU CB C 13 41.247 0.3 . 1 . . . . 86 LEU CB . 17740 1 63 . 1 1 15 15 LEU N N 15 125.809 0.3 . 1 . . . . 86 LEU N . 17740 1 64 . 1 1 16 16 TYR H H 1 7.215 0.02 . 1 . . . . 87 TYR H . 17740 1 65 . 1 1 16 16 TYR C C 13 173.607 0.3 . 1 . . . . 87 TYR C . 17740 1 66 . 1 1 16 16 TYR CA C 13 53.408 0.3 . 1 . . . . 87 TYR CA . 17740 1 67 . 1 1 16 16 TYR CB C 13 41.734 0.3 . 1 . . . . 87 TYR CB . 17740 1 68 . 1 1 16 16 TYR N N 15 112.211 0.3 . 1 . . . . 87 TYR N . 17740 1 69 . 1 1 17 17 ASP H H 1 8.310 0.02 . 1 . . . . 88 ASP H . 17740 1 70 . 1 1 17 17 ASP C C 13 175.668 0.3 . 1 . . . . 88 ASP C . 17740 1 71 . 1 1 17 17 ASP CA C 13 53.799 0.3 . 1 . . . . 88 ASP CA . 17740 1 72 . 1 1 17 17 ASP CB C 13 41.097 0.3 . 1 . . . . 88 ASP CB . 17740 1 73 . 1 1 17 17 ASP N N 15 117.440 0.3 . 1 . . . . 88 ASP N . 17740 1 74 . 1 1 18 18 TYR H H 1 8.580 0.02 . 1 . . . . 89 TYR H . 17740 1 75 . 1 1 18 18 TYR C C 13 173.285 0.3 . 1 . . . . 89 TYR C . 17740 1 76 . 1 1 18 18 TYR CA C 13 57.633 0.3 . 1 . . . . 89 TYR CA . 17740 1 77 . 1 1 18 18 TYR CB C 13 40.652 0.3 . 1 . . . . 89 TYR CB . 17740 1 78 . 1 1 18 18 TYR N N 15 120.427 0.3 . 1 . . . . 89 TYR N . 17740 1 79 . 1 1 19 19 GLU H H 1 7.423 0.02 . 1 . . . . 90 GLU H . 17740 1 80 . 1 1 19 19 GLU C C 13 173.586 0.3 . 1 . . . . 90 GLU C . 17740 1 81 . 1 1 19 19 GLU CA C 13 53.178 0.3 . 1 . . . . 90 GLU CA . 17740 1 82 . 1 1 19 19 GLU CB C 13 29.112 0.3 . 1 . . . . 90 GLU CB . 17740 1 83 . 1 1 19 19 GLU N N 15 128.409 0.3 . 1 . . . . 90 GLU N . 17740 1 84 . 1 1 20 20 ALA H H 1 7.997 0.02 . 1 . . . . 91 ALA H . 17740 1 85 . 1 1 20 20 ALA C C 13 177.879 0.3 . 1 . . . . 91 ALA C . 17740 1 86 . 1 1 20 20 ALA CA C 13 52.431 0.3 . 1 . . . . 91 ALA CA . 17740 1 87 . 1 1 20 20 ALA CB C 13 19.293 0.3 . 1 . . . . 91 ALA CB . 17740 1 88 . 1 1 20 20 ALA N N 15 125.411 0.3 . 1 . . . . 91 ALA N . 17740 1 89 . 1 1 21 21 ILE H H 1 8.433 0.02 . 1 . . . . 92 ILE H . 17740 1 90 . 1 1 21 21 ILE C C 13 176.531 0.3 . 1 . . . . 92 ILE C . 17740 1 91 . 1 1 21 21 ILE CA C 13 61.050 0.3 . 1 . . . . 92 ILE CA . 17740 1 92 . 1 1 21 21 ILE CB C 13 38.342 0.3 . 1 . . . . 92 ILE CB . 17740 1 93 . 1 1 21 21 ILE N N 15 120.384 0.3 . 1 . . . . 92 ILE N . 17740 1 94 . 1 1 25 25 ASP H H 1 7.960 0.02 . 1 . . . . 96 ASP H . 17740 1 95 . 1 1 25 25 ASP C C 13 175.846 0.3 . 1 . . . . 96 ASP C . 17740 1 96 . 1 1 25 25 ASP CA C 13 53.678 0.3 . 1 . . . . 96 ASP CA . 17740 1 97 . 1 1 25 25 ASP CB C 13 41.734 0.3 . 1 . . . . 96 ASP CB . 17740 1 98 . 1 1 25 25 ASP N N 15 121.507 0.3 . 1 . . . . 96 ASP N . 17740 1 99 . 1 1 26 26 LEU H H 1 8.962 0.02 . 1 . . . . 97 LEU H . 17740 1 100 . 1 1 26 26 LEU C C 13 175.222 0.3 . 1 . . . . 97 LEU C . 17740 1 101 . 1 1 26 26 LEU CA C 13 53.321 0.3 . 1 . . . . 97 LEU CA . 17740 1 102 . 1 1 26 26 LEU CB C 13 43.090 0.3 . 1 . . . . 97 LEU CB . 17740 1 103 . 1 1 26 26 LEU N N 15 123.770 0.3 . 1 . . . . 97 LEU N . 17740 1 104 . 1 1 27 27 SER H H 1 7.772 0.02 . 1 . . . . 98 SER H . 17740 1 105 . 1 1 27 27 SER C C 13 174.328 0.3 . 1 . . . . 98 SER C . 17740 1 106 . 1 1 27 27 SER CA C 13 57.689 0.3 . 1 . . . . 98 SER CA . 17740 1 107 . 1 1 27 27 SER CB C 13 63.905 0.3 . 1 . . . . 98 SER CB . 17740 1 108 . 1 1 27 27 SER N N 15 116.240 0.3 . 1 . . . . 98 SER N . 17740 1 109 . 1 1 28 28 PHE H H 1 8.787 0.02 . 1 . . . . 99 PHE H . 17740 1 110 . 1 1 28 28 PHE C C 13 173.611 0.3 . 1 . . . . 99 PHE C . 17740 1 111 . 1 1 28 28 PHE CA C 13 55.754 0.3 . 1 . . . . 99 PHE CA . 17740 1 112 . 1 1 28 28 PHE CB C 13 39.380 0.3 . 1 . . . . 99 PHE CB . 17740 1 113 . 1 1 28 28 PHE N N 15 116.814 0.3 . 1 . . . . 99 PHE N . 17740 1 114 . 1 1 29 29 GLN H H 1 9.045 0.02 . 1 . . . . 100 GLN H . 17740 1 115 . 1 1 29 29 GLN C C 13 175.177 0.3 . 1 . . . . 100 GLN C . 17740 1 116 . 1 1 29 29 GLN CA C 13 52.955 0.3 . 1 . . . . 100 GLN CA . 17740 1 117 . 1 1 29 29 GLN CB C 13 31.542 0.3 . 1 . . . . 100 GLN CB . 17740 1 118 . 1 1 29 29 GLN N N 15 119.882 0.3 . 1 . . . . 100 GLN N . 17740 1 119 . 1 1 30 30 LYS H H 1 9.183 0.02 . 1 . . . . 101 LYS H . 17740 1 120 . 1 1 30 30 LYS C C 13 177.121 0.3 . 1 . . . . 101 LYS C . 17740 1 121 . 1 1 30 30 LYS CA C 13 57.927 0.3 . 1 . . . . 101 LYS CA . 17740 1 122 . 1 1 30 30 LYS CB C 13 31.381 0.3 . 1 . . . . 101 LYS CB . 17740 1 123 . 1 1 30 30 LYS N N 15 121.905 0.3 . 1 . . . . 101 LYS N . 17740 1 124 . 1 1 31 31 GLY H H 1 8.935 0.02 . 1 . . . . 102 GLY H . 17740 1 125 . 1 1 31 31 GLY C C 13 174.486 0.3 . 1 . . . . 102 GLY C . 17740 1 126 . 1 1 31 31 GLY CA C 13 44.282 0.3 . 1 . . . . 102 GLY CA . 17740 1 127 . 1 1 31 31 GLY N N 15 115.166 0.3 . 1 . . . . 102 GLY N . 17740 1 128 . 1 1 32 32 ASP H H 1 8.622 0.02 . 1 . . . . 103 ASP H . 17740 1 129 . 1 1 32 32 ASP C C 13 175.744 0.3 . 1 . . . . 103 ASP C . 17740 1 130 . 1 1 32 32 ASP CA C 13 55.074 0.3 . 1 . . . . 103 ASP CA . 17740 1 131 . 1 1 32 32 ASP CB C 13 40.244 0.3 . 1 . . . . 103 ASP CB . 17740 1 132 . 1 1 32 32 ASP N N 15 122.794 0.3 . 1 . . . . 103 ASP N . 17740 1 133 . 1 1 33 33 GLN H H 1 8.438 0.02 . 1 . . . . 104 GLN H . 17740 1 134 . 1 1 33 33 GLN C C 13 176.779 0.3 . 1 . . . . 104 GLN C . 17740 1 135 . 1 1 33 33 GLN CA C 13 54.133 0.3 . 1 . . . . 104 GLN CA . 17740 1 136 . 1 1 33 33 GLN CB C 13 29.918 0.3 . 1 . . . . 104 GLN CB . 17740 1 137 . 1 1 33 33 GLN N N 15 118.116 0.3 . 1 . . . . 104 GLN N . 17740 1 138 . 1 1 34 34 MET H H 1 9.163 0.02 . 1 . . . . 105 MET H . 17740 1 139 . 1 1 34 34 MET C C 13 173.287 0.3 . 1 . . . . 105 MET C . 17740 1 140 . 1 1 34 34 MET CA C 13 53.822 0.3 . 1 . . . . 105 MET CA . 17740 1 141 . 1 1 34 34 MET CB C 13 37.669 0.3 . 1 . . . . 105 MET CB . 17740 1 142 . 1 1 34 34 MET N N 15 120.885 0.3 . 1 . . . . 105 MET N . 17740 1 143 . 1 1 35 35 VAL H H 1 8.896 0.02 . 1 . . . . 106 VAL H . 17740 1 144 . 1 1 35 35 VAL C C 13 175.900 0.3 . 1 . . . . 106 VAL C . 17740 1 145 . 1 1 35 35 VAL CA C 13 59.351 0.3 . 1 . . . . 106 VAL CA . 17740 1 146 . 1 1 35 35 VAL CB C 13 32.736 0.3 . 1 . . . . 106 VAL CB . 17740 1 147 . 1 1 35 35 VAL N N 15 119.727 0.3 . 1 . . . . 106 VAL N . 17740 1 148 . 1 1 36 36 VAL H H 1 8.774 0.02 . 1 . . . . 107 VAL H . 17740 1 149 . 1 1 36 36 VAL C C 13 175.004 0.3 . 1 . . . . 107 VAL C . 17740 1 150 . 1 1 36 36 VAL CA C 13 63.212 0.3 . 1 . . . . 107 VAL CA . 17740 1 151 . 1 1 36 36 VAL CB C 13 31.002 0.3 . 1 . . . . 107 VAL CB . 17740 1 152 . 1 1 36 36 VAL N N 15 126.448 0.3 . 1 . . . . 107 VAL N . 17740 1 153 . 1 1 37 37 LEU H H 1 9.174 0.02 . 1 . . . . 108 LEU H . 17740 1 154 . 1 1 37 37 LEU C C 13 177.445 0.3 . 1 . . . . 108 LEU C . 17740 1 155 . 1 1 37 37 LEU CA C 13 54.852 0.3 . 1 . . . . 108 LEU CA . 17740 1 156 . 1 1 37 37 LEU CB C 13 41.192 0.3 . 1 . . . . 108 LEU CB . 17740 1 157 . 1 1 37 37 LEU N N 15 128.098 0.3 . 1 . . . . 108 LEU N . 17740 1 158 . 1 1 38 38 GLU H H 1 7.611 0.02 . 1 . . . . 109 GLU H . 17740 1 159 . 1 1 38 38 GLU C C 13 174.264 0.3 . 1 . . . . 109 GLU C . 17740 1 160 . 1 1 38 38 GLU CA C 13 55.735 0.3 . 1 . . . . 109 GLU CA . 17740 1 161 . 1 1 38 38 GLU CB C 13 32.194 0.3 . 1 . . . . 109 GLU CB . 17740 1 162 . 1 1 38 38 GLU N N 15 117.043 0.3 . 1 . . . . 109 GLU N . 17740 1 163 . 1 1 39 39 GLU H H 1 8.640 0.02 . 1 . . . . 110 GLU H . 17740 1 164 . 1 1 39 39 GLU C C 13 175.383 0.3 . 1 . . . . 110 GLU C . 17740 1 165 . 1 1 39 39 GLU CA C 13 53.646 0.3 . 1 . . . . 110 GLU CA . 17740 1 166 . 1 1 39 39 GLU CB C 13 28.230 0.3 . 1 . . . . 110 GLU CB . 17740 1 167 . 1 1 39 39 GLU N N 15 126.316 0.3 . 1 . . . . 110 GLU N . 17740 1 168 . 1 1 40 40 SER H H 1 7.757 0.02 . 1 . . . . 111 SER H . 17740 1 169 . 1 1 40 40 SER C C 13 174.656 0.3 . 1 . . . . 111 SER C . 17740 1 170 . 1 1 40 40 SER CA C 13 56.457 0.3 . 1 . . . . 111 SER CA . 17740 1 171 . 1 1 40 40 SER CB C 13 62.455 0.3 . 1 . . . . 111 SER CB . 17740 1 172 . 1 1 40 40 SER N N 15 117.595 0.3 . 1 . . . . 111 SER N . 17740 1 173 . 1 1 41 41 GLY H H 1 8.478 0.02 . 1 . . . . 112 GLY H . 17740 1 174 . 1 1 41 41 GLY C C 13 174.129 0.3 . 1 . . . . 112 GLY C . 17740 1 175 . 1 1 41 41 GLY CA C 13 45.435 0.3 . 1 . . . . 112 GLY CA . 17740 1 176 . 1 1 41 41 GLY N N 15 111.645 0.3 . 1 . . . . 112 GLY N . 17740 1 177 . 1 1 42 42 GLU H H 1 8.877 0.02 . 1 . . . . 113 GLU H . 17740 1 178 . 1 1 42 42 GLU CA C 13 56.738 0.3 . 1 . . . . 113 GLU CA . 17740 1 179 . 1 1 42 42 GLU CB C 13 29.209 0.3 . 1 . . . . 113 GLU CB . 17740 1 180 . 1 1 42 42 GLU N N 15 122.527 0.3 . 1 . . . . 113 GLU N . 17740 1 181 . 1 1 43 43 TRP H H 1 7.947 0.02 . 1 . . . . 114 TRP H . 17740 1 182 . 1 1 43 43 TRP C C 13 175.328 0.3 . 1 . . . . 114 TRP C . 17740 1 183 . 1 1 43 43 TRP CA C 13 55.132 0.3 . 1 . . . . 114 TRP CA . 17740 1 184 . 1 1 43 43 TRP CB C 13 29.267 0.3 . 1 . . . . 114 TRP CB . 17740 1 185 . 1 1 43 43 TRP N N 15 120.159 0.3 . 1 . . . . 114 TRP N . 17740 1 186 . 1 1 44 44 TRP H H 1 9.069 0.02 . 1 . . . . 115 TRP H . 17740 1 187 . 1 1 44 44 TRP C C 13 175.835 0.3 . 1 . . . . 115 TRP C . 17740 1 188 . 1 1 44 44 TRP CA C 13 52.649 0.3 . 1 . . . . 115 TRP CA . 17740 1 189 . 1 1 44 44 TRP CB C 13 30.405 0.3 . 1 . . . . 115 TRP CB . 17740 1 190 . 1 1 44 44 TRP N N 15 124.176 0.3 . 1 . . . . 115 TRP N . 17740 1 191 . 1 1 45 45 LYS H H 1 8.804 0.02 . 1 . . . . 116 LYS H . 17740 1 192 . 1 1 45 45 LYS C C 13 175.275 0.3 . 1 . . . . 116 LYS C . 17740 1 193 . 1 1 45 45 LYS CA C 13 55.534 0.3 . 1 . . . . 116 LYS CA . 17740 1 194 . 1 1 45 45 LYS CB C 13 32.790 0.3 . 1 . . . . 116 LYS CB . 17740 1 195 . 1 1 45 45 LYS N N 15 122.984 0.3 . 1 . . . . 116 LYS N . 17740 1 196 . 1 1 46 46 ALA H H 1 9.394 0.02 . 1 . . . . 117 ALA H . 17740 1 197 . 1 1 46 46 ALA C C 13 173.737 0.3 . 1 . . . . 117 ALA C . 17740 1 198 . 1 1 46 46 ALA CA C 13 50.333 0.3 . 1 . . . . 117 ALA CA . 17740 1 199 . 1 1 46 46 ALA CB C 13 23.630 0.3 . 1 . . . . 117 ALA CB . 17740 1 200 . 1 1 46 46 ALA N N 15 130.361 0.3 . 1 . . . . 117 ALA N . 17740 1 201 . 1 1 47 47 ARG H H 1 8.845 0.02 . 1 . . . . 118 ARG H . 17740 1 202 . 1 1 47 47 ARG C C 13 176.244 0.3 . 1 . . . . 118 ARG C . 17740 1 203 . 1 1 47 47 ARG CA C 13 52.775 0.3 . 1 . . . . 118 ARG CA . 17740 1 204 . 1 1 47 47 ARG CB C 13 32.949 0.3 . 1 . . . . 118 ARG CB . 17740 1 205 . 1 1 47 47 ARG N N 15 117.395 0.3 . 1 . . . . 118 ARG N . 17740 1 206 . 1 1 48 48 SER H H 1 8.970 0.02 . 1 . . . . 119 SER H . 17740 1 207 . 1 1 48 48 SER C C 13 177.319 0.3 . 1 . . . . 119 SER C . 17740 1 208 . 1 1 48 48 SER CA C 13 57.592 0.3 . 1 . . . . 119 SER CA . 17740 1 209 . 1 1 48 48 SER CB C 13 62.495 0.3 . 1 . . . . 119 SER CB . 17740 1 210 . 1 1 48 48 SER N N 15 119.269 0.3 . 1 . . . . 119 SER N . 17740 1 211 . 1 1 49 49 LEU H H 1 8.690 0.02 . 1 . . . . 120 LEU H . 17740 1 212 . 1 1 49 49 LEU C C 13 177.685 0.3 . 1 . . . . 120 LEU C . 17740 1 213 . 1 1 49 49 LEU CA C 13 56.619 0.3 . 1 . . . . 120 LEU CA . 17740 1 214 . 1 1 49 49 LEU CB C 13 39.729 0.3 . 1 . . . . 120 LEU CB . 17740 1 215 . 1 1 49 49 LEU N N 15 130.128 0.3 . 1 . . . . 120 LEU N . 17740 1 216 . 1 1 50 50 ALA H H 1 8.336 0.02 . 1 . . . . 121 ALA H . 17740 1 217 . 1 1 50 50 ALA C C 13 179.639 0.3 . 1 . . . . 121 ALA C . 17740 1 218 . 1 1 50 50 ALA CA C 13 54.028 0.3 . 1 . . . . 121 ALA CA . 17740 1 219 . 1 1 50 50 ALA CB C 13 18.534 0.3 . 1 . . . . 121 ALA CB . 17740 1 220 . 1 1 50 50 ALA N N 15 120.691 0.3 . 1 . . . . 121 ALA N . 17740 1 221 . 1 1 51 51 THR H H 1 7.924 0.02 . 1 . . . . 122 THR H . 17740 1 222 . 1 1 51 51 THR CA C 13 60.506 0.3 . 1 . . . . 122 THR CA . 17740 1 223 . 1 1 51 51 THR CB C 13 70.726 0.3 . 1 . . . . 122 THR CB . 17740 1 224 . 1 1 51 51 THR N N 15 103.905 0.3 . 1 . . . . 122 THR N . 17740 1 225 . 1 1 52 52 ARG H H 1 7.789 0.02 . 1 . . . . 123 ARG H . 17740 1 226 . 1 1 52 52 ARG C C 13 174.751 0.3 . 1 . . . . 123 ARG C . 17740 1 227 . 1 1 52 52 ARG CA C 13 57.718 0.3 . 1 . . . . 123 ARG CA . 17740 1 228 . 1 1 52 52 ARG CB C 13 25.844 0.3 . 1 . . . . 123 ARG CB . 17740 1 229 . 1 1 52 52 ARG N N 15 114.637 0.3 . 1 . . . . 123 ARG N . 17740 1 230 . 1 1 53 53 LYS H H 1 7.650 0.02 . 1 . . . . 124 LYS H . 17740 1 231 . 1 1 53 53 LYS C C 13 174.826 0.3 . 1 . . . . 124 LYS C . 17740 1 232 . 1 1 53 53 LYS CA C 13 56.023 0.3 . 1 . . . . 124 LYS CA . 17740 1 233 . 1 1 53 53 LYS CB C 13 32.357 0.3 . 1 . . . . 124 LYS CB . 17740 1 234 . 1 1 53 53 LYS N N 15 119.839 0.3 . 1 . . . . 124 LYS N . 17740 1 235 . 1 1 54 54 GLU H H 1 8.467 0.02 . 1 . . . . 125 GLU H . 17740 1 236 . 1 1 54 54 GLU C C 13 176.687 0.3 . 1 . . . . 125 GLU C . 17740 1 237 . 1 1 54 54 GLU CA C 13 53.334 0.3 . 1 . . . . 125 GLU CA . 17740 1 238 . 1 1 54 54 GLU CB C 13 32.411 0.3 . 1 . . . . 125 GLU CB . 17740 1 239 . 1 1 54 54 GLU N N 15 118.993 0.3 . 1 . . . . 125 GLU N . 17740 1 240 . 1 1 55 55 GLY H H 1 8.764 0.02 . 1 . . . . 126 GLY H . 17740 1 241 . 1 1 55 55 GLY C C 13 171.104 0.3 . 1 . . . . 126 GLY C . 17740 1 242 . 1 1 55 55 GLY CA C 13 44.824 0.3 . 1 . . . . 126 GLY CA . 17740 1 243 . 1 1 55 55 GLY N N 15 107.633 0.3 . 1 . . . . 126 GLY N . 17740 1 244 . 1 1 56 56 TYR H H 1 8.950 0.02 . 1 . . . . 127 TYR H . 17740 1 245 . 1 1 56 56 TYR C C 13 176.513 0.3 . 1 . . . . 127 TYR C . 17740 1 246 . 1 1 56 56 TYR CA C 13 58.465 0.3 . 1 . . . . 127 TYR CA . 17740 1 247 . 1 1 56 56 TYR CB C 13 39.163 0.3 . 1 . . . . 127 TYR CB . 17740 1 248 . 1 1 56 56 TYR N N 15 119.347 0.3 . 1 . . . . 127 TYR N . 17740 1 249 . 1 1 57 57 ILE H H 1 9.599 0.02 . 1 . . . . 128 ILE H . 17740 1 250 . 1 1 57 57 ILE C C 13 172.263 0.3 . 1 . . . . 128 ILE C . 17740 1 251 . 1 1 57 57 ILE CA C 13 56.483 0.3 . 1 . . . . 128 ILE CA . 17740 1 252 . 1 1 57 57 ILE CB C 13 39.458 0.3 . 1 . . . . 128 ILE CB . 17740 1 253 . 1 1 57 57 ILE N N 15 112.567 0.3 . 1 . . . . 128 ILE N . 17740 1 254 . 1 1 59 59 SER H H 1 7.760 0.02 . 1 . . . . 130 SER H . 17740 1 255 . 1 1 59 59 SER CA C 13 60.310 0.3 . 1 . . . . 130 SER CA . 17740 1 256 . 1 1 59 59 SER N N 15 121.463 0.3 . 1 . . . . 130 SER N . 17740 1 257 . 1 1 60 60 ASN H H 1 8.154 0.02 . 1 . . . . 131 ASN H . 17740 1 258 . 1 1 60 60 ASN C C 13 175.436 0.3 . 1 . . . . 131 ASN C . 17740 1 259 . 1 1 60 60 ASN CA C 13 53.110 0.3 . 1 . . . . 131 ASN CA . 17740 1 260 . 1 1 60 60 ASN CB C 13 35.562 0.3 . 1 . . . . 131 ASN CB . 17740 1 261 . 1 1 60 60 ASN N N 15 115.280 0.3 . 1 . . . . 131 ASN N . 17740 1 262 . 1 1 61 61 TYR H H 1 7.865 0.02 . 1 . . . . 132 TYR H . 17740 1 263 . 1 1 61 61 TYR C C 13 174.929 0.3 . 1 . . . . 132 TYR C . 17740 1 264 . 1 1 61 61 TYR CA C 13 57.475 0.3 . 1 . . . . 132 TYR CA . 17740 1 265 . 1 1 61 61 TYR CB C 13 38.209 0.3 . 1 . . . . 132 TYR CB . 17740 1 266 . 1 1 61 61 TYR N N 15 118.975 0.3 . 1 . . . . 132 TYR N . 17740 1 267 . 1 1 62 62 VAL H H 1 7.135 0.02 . 1 . . . . 133 VAL H . 17740 1 268 . 1 1 62 62 VAL C C 13 173.467 0.3 . 1 . . . . 133 VAL C . 17740 1 269 . 1 1 62 62 VAL CA C 13 57.725 0.3 . 1 . . . . 133 VAL CA . 17740 1 270 . 1 1 62 62 VAL CB C 13 34.742 0.3 . 1 . . . . 133 VAL CB . 17740 1 271 . 1 1 62 62 VAL N N 15 108.669 0.3 . 1 . . . . 133 VAL N . 17740 1 272 . 1 1 63 63 ALA H H 1 8.414 0.02 . 1 . . . . 134 ALA H . 17740 1 273 . 1 1 63 63 ALA C C 13 176.457 0.3 . 1 . . . . 134 ALA C . 17740 1 274 . 1 1 63 63 ALA CA C 13 49.586 0.3 . 1 . . . . 134 ALA CA . 17740 1 275 . 1 1 63 63 ALA CB C 13 22.329 0.3 . 1 . . . . 134 ALA CB . 17740 1 276 . 1 1 63 63 ALA N N 15 119.874 0.3 . 1 . . . . 134 ALA N . 17740 1 277 . 1 1 64 64 ARG H H 1 8.869 0.02 . 1 . . . . 135 ARG H . 17740 1 278 . 1 1 64 64 ARG C C 13 177.416 0.3 . 1 . . . . 135 ARG C . 17740 1 279 . 1 1 64 64 ARG CA C 13 56.483 0.3 . 1 . . . . 135 ARG CA . 17740 1 280 . 1 1 64 64 ARG CB C 13 29.213 0.3 . 1 . . . . 135 ARG CB . 17740 1 281 . 1 1 64 64 ARG N N 15 120.444 0.3 . 1 . . . . 135 ARG N . 17740 1 282 . 1 1 65 65 VAL H H 1 8.142 0.02 . 1 . . . . 136 VAL H . 17740 1 283 . 1 1 65 65 VAL C C 13 175.452 0.3 . 1 . . . . 136 VAL C . 17740 1 284 . 1 1 65 65 VAL CA C 13 63.146 0.3 . 1 . . . . 136 VAL CA . 17740 1 285 . 1 1 65 65 VAL CB C 13 31.056 0.3 . 1 . . . . 136 VAL CB . 17740 1 286 . 1 1 65 65 VAL N N 15 121.899 0.3 . 1 . . . . 136 VAL N . 17740 1 287 . 1 1 66 66 ASP H H 1 8.585 0.02 . 1 . . . . 137 ASP H . 17740 1 288 . 1 1 66 66 ASP C C 13 175.749 0.3 . 1 . . . . 137 ASP C . 17740 1 289 . 1 1 66 66 ASP CA C 13 53.919 0.3 . 1 . . . . 137 ASP CA . 17740 1 290 . 1 1 66 66 ASP CB C 13 39.404 0.3 . 1 . . . . 137 ASP CB . 17740 1 291 . 1 1 66 66 ASP N N 15 120.669 0.3 . 1 . . . . 137 ASP N . 17740 1 292 . 1 1 67 67 SER H H 1 7.949 0.02 . 1 . . . . 138 SER H . 17740 1 293 . 1 1 67 67 SER CA C 13 57.661 0.3 . 1 . . . . 138 SER CA . 17740 1 294 . 1 1 67 67 SER CB C 13 64.013 0.3 . 1 . . . . 138 SER CB . 17740 1 295 . 1 1 67 67 SER N N 15 114.924 0.3 . 1 . . . . 138 SER N . 17740 1 296 . 1 1 68 68 LEU H H 1 8.492 0.02 . 1 . . . . 139 LEU H . 17740 1 297 . 1 1 68 68 LEU CA C 13 56.227 0.3 . 1 . . . . 139 LEU CA . 17740 1 298 . 1 1 68 68 LEU CB C 13 39.939 0.3 . 1 . . . . 139 LEU CB . 17740 1 299 . 1 1 68 68 LEU N N 15 124.526 0.3 . 1 . . . . 139 LEU N . 17740 1 300 . 1 1 69 69 GLU H H 1 8.169 0.02 . 1 . . . . 140 GLU H . 17740 1 301 . 1 1 69 69 GLU C C 13 176.905 0.3 . 1 . . . . 140 GLU C . 17740 1 302 . 1 1 69 69 GLU CA C 13 57.700 0.3 . 1 . . . . 140 GLU CA . 17740 1 303 . 1 1 69 69 GLU CB C 13 28.562 0.3 . 1 . . . . 140 GLU CB . 17740 1 304 . 1 1 69 69 GLU N N 15 113.570 0.3 . 1 . . . . 140 GLU N . 17740 1 305 . 1 1 70 70 THR H H 1 7.416 0.02 . 1 . . . . 141 THR H . 17740 1 306 . 1 1 70 70 THR C C 13 175.139 0.3 . 1 . . . . 141 THR C . 17740 1 307 . 1 1 70 70 THR CA C 13 61.310 0.3 . 1 . . . . 141 THR CA . 17740 1 308 . 1 1 70 70 THR CB C 13 68.458 0.3 . 1 . . . . 141 THR CB . 17740 1 309 . 1 1 70 70 THR N N 15 107.392 0.3 . 1 . . . . 141 THR N . 17740 1 310 . 1 1 71 71 GLU H H 1 7.618 0.02 . 1 . . . . 142 GLU H . 17740 1 311 . 1 1 71 71 GLU C C 13 178.774 0.3 . 1 . . . . 142 GLU C . 17740 1 312 . 1 1 71 71 GLU CA C 13 54.619 0.3 . 1 . . . . 142 GLU CA . 17740 1 313 . 1 1 71 71 GLU CB C 13 26.503 0.3 . 1 . . . . 142 GLU CB . 17740 1 314 . 1 1 71 71 GLU N N 15 121.999 0.3 . 1 . . . . 142 GLU N . 17740 1 315 . 1 1 72 72 GLU H H 1 9.006 0.02 . 1 . . . . 143 GLU H . 17740 1 316 . 1 1 72 72 GLU C C 13 176.053 0.3 . 1 . . . . 143 GLU C . 17740 1 317 . 1 1 72 72 GLU CA C 13 57.700 0.3 . 1 . . . . 143 GLU CA . 17740 1 318 . 1 1 72 72 GLU CB C 13 28.841 0.3 . 1 . . . . 143 GLU CB . 17740 1 319 . 1 1 72 72 GLU N N 15 122.111 0.3 . 1 . . . . 143 GLU N . 17740 1 320 . 1 1 73 73 TRP H H 1 6.225 0.02 . 1 . . . . 144 TRP H . 17740 1 321 . 1 1 73 73 TRP C C 13 174.820 0.3 . 1 . . . . 144 TRP C . 17740 1 322 . 1 1 73 73 TRP CA C 13 52.660 0.3 . 1 . . . . 144 TRP CA . 17740 1 323 . 1 1 73 73 TRP CB C 13 30.731 0.3 . 1 . . . . 144 TRP CB . 17740 1 324 . 1 1 73 73 TRP N N 15 108.161 0.3 . 1 . . . . 144 TRP N . 17740 1 325 . 1 1 74 74 PHE H H 1 7.449 0.02 . 1 . . . . 145 PHE H . 17740 1 326 . 1 1 74 74 PHE C C 13 174.485 0.3 . 1 . . . . 145 PHE C . 17740 1 327 . 1 1 74 74 PHE CA C 13 57.201 0.3 . 1 . . . . 145 PHE CA . 17740 1 328 . 1 1 74 74 PHE CB C 13 38.970 0.3 . 1 . . . . 145 PHE CB . 17740 1 329 . 1 1 74 74 PHE N N 15 123.260 0.3 . 1 . . . . 145 PHE N . 17740 1 330 . 1 1 75 75 PHE H H 1 8.629 0.02 . 1 . . . . 146 PHE H . 17740 1 331 . 1 1 75 75 PHE C C 13 173.608 0.3 . 1 . . . . 146 PHE C . 17740 1 332 . 1 1 75 75 PHE CA C 13 55.505 0.3 . 1 . . . . 146 PHE CA . 17740 1 333 . 1 1 75 75 PHE CB C 13 39.349 0.3 . 1 . . . . 146 PHE CB . 17740 1 334 . 1 1 75 75 PHE N N 15 130.577 0.3 . 1 . . . . 146 PHE N . 17740 1 335 . 1 1 76 76 LYS H H 1 7.951 0.02 . 1 . . . . 147 LYS H . 17740 1 336 . 1 1 76 76 LYS C C 13 178.017 0.3 . 1 . . . . 147 LYS C . 17740 1 337 . 1 1 76 76 LYS CA C 13 55.362 0.3 . 1 . . . . 147 LYS CA . 17740 1 338 . 1 1 76 76 LYS CB C 13 32.465 0.3 . 1 . . . . 147 LYS CB . 17740 1 339 . 1 1 76 76 LYS N N 15 121.774 0.3 . 1 . . . . 147 LYS N . 17740 1 340 . 1 1 77 77 GLY H H 1 9.273 0.02 . 1 . . . . 148 GLY H . 17740 1 341 . 1 1 77 77 GLY C C 13 174.143 0.3 . 1 . . . . 148 GLY C . 17740 1 342 . 1 1 77 77 GLY CA C 13 46.223 0.3 . 1 . . . . 148 GLY CA . 17740 1 343 . 1 1 77 77 GLY N N 15 113.544 0.3 . 1 . . . . 148 GLY N . 17740 1 344 . 1 1 78 78 ILE H H 1 7.246 0.02 . 1 . . . . 149 ILE H . 17740 1 345 . 1 1 78 78 ILE C C 13 174.917 0.3 . 1 . . . . 149 ILE C . 17740 1 346 . 1 1 78 78 ILE CA C 13 58.914 0.3 . 1 . . . . 149 ILE CA . 17740 1 347 . 1 1 78 78 ILE CB C 13 38.536 0.3 . 1 . . . . 149 ILE CB . 17740 1 348 . 1 1 78 78 ILE N N 15 117.432 0.3 . 1 . . . . 149 ILE N . 17740 1 349 . 1 1 79 79 SER H H 1 9.021 0.02 . 1 . . . . 150 SER H . 17740 1 350 . 1 1 79 79 SER C C 13 174.280 0.3 . 1 . . . . 150 SER C . 17740 1 351 . 1 1 79 79 SER CA C 13 56.511 0.3 . 1 . . . . 150 SER CA . 17740 1 352 . 1 1 79 79 SER CB C 13 64.902 0.3 . 1 . . . . 150 SER CB . 17740 1 353 . 1 1 79 79 SER N N 15 122.500 0.3 . 1 . . . . 150 SER N . 17740 1 354 . 1 1 80 80 ARG H H 1 8.784 0.02 . 1 . . . . 151 ARG H . 17740 1 355 . 1 1 80 80 ARG C C 13 177.801 0.3 . 1 . . . . 151 ARG C . 17740 1 356 . 1 1 80 80 ARG CA C 13 59.677 0.3 . 1 . . . . 151 ARG CA . 17740 1 357 . 1 1 80 80 ARG CB C 13 28.617 0.3 . 1 . . . . 151 ARG CB . 17740 1 358 . 1 1 80 80 ARG N N 15 121.766 0.3 . 1 . . . . 151 ARG N . 17740 1 359 . 1 1 81 81 LYS H H 1 8.242 0.02 . 1 . . . . 152 LYS H . 17740 1 360 . 1 1 81 81 LYS C C 13 179.464 0.3 . 1 . . . . 152 LYS C . 17740 1 361 . 1 1 81 81 LYS CA C 13 58.402 0.3 . 1 . . . . 152 LYS CA . 17740 1 362 . 1 1 81 81 LYS CB C 13 31.002 0.3 . 1 . . . . 152 LYS CB . 17740 1 363 . 1 1 81 81 LYS N N 15 116.715 0.3 . 1 . . . . 152 LYS N . 17740 1 364 . 1 1 82 82 ASP H H 1 7.846 0.02 . 1 . . . . 153 ASP H . 17740 1 365 . 1 1 82 82 ASP C C 13 178.052 0.3 . 1 . . . . 153 ASP C . 17740 1 366 . 1 1 82 82 ASP CA C 13 56.749 0.3 . 1 . . . . 153 ASP CA . 17740 1 367 . 1 1 82 82 ASP CB C 13 39.349 0.3 . 1 . . . . 153 ASP CB . 17740 1 368 . 1 1 82 82 ASP N N 15 120.263 0.3 . 1 . . . . 153 ASP N . 17740 1 369 . 1 1 83 83 ALA H H 1 8.523 0.02 . 1 . . . . 154 ALA H . 17740 1 370 . 1 1 83 83 ALA C C 13 179.391 0.3 . 1 . . . . 154 ALA C . 17740 1 371 . 1 1 83 83 ALA CA C 13 54.565 0.3 . 1 . . . . 154 ALA CA . 17740 1 372 . 1 1 83 83 ALA CB C 13 17.871 0.3 . 1 . . . . 154 ALA CB . 17740 1 373 . 1 1 83 83 ALA N N 15 123.437 0.3 . 1 . . . . 154 ALA N . 17740 1 374 . 1 1 84 84 GLU H H 1 7.797 0.02 . 1 . . . . 155 GLU H . 17740 1 375 . 1 1 84 84 GLU C C 13 177.136 0.3 . 1 . . . . 155 GLU C . 17740 1 376 . 1 1 84 84 GLU CA C 13 59.057 0.3 . 1 . . . . 155 GLU CA . 17740 1 377 . 1 1 84 84 GLU CB C 13 27.587 0.3 . 1 . . . . 155 GLU CB . 17740 1 378 . 1 1 84 84 GLU N N 15 114.571 0.3 . 1 . . . . 155 GLU N . 17740 1 379 . 1 1 85 85 ARG H H 1 7.690 0.02 . 1 . . . . 156 ARG H . 17740 1 380 . 1 1 85 85 ARG C C 13 179.529 0.3 . 1 . . . . 156 ARG C . 17740 1 381 . 1 1 85 85 ARG CA C 13 58.781 0.3 . 1 . . . . 156 ARG CA . 17740 1 382 . 1 1 85 85 ARG CB C 13 28.942 0.3 . 1 . . . . 156 ARG CB . 17740 1 383 . 1 1 85 85 ARG N N 15 116.639 0.3 . 1 . . . . 156 ARG N . 17740 1 384 . 1 1 86 86 GLN H H 1 8.319 0.02 . 1 . . . . 157 GLN H . 17740 1 385 . 1 1 86 86 GLN C C 13 179.024 0.3 . 1 . . . . 157 GLN C . 17740 1 386 . 1 1 86 86 GLN CA C 13 58.592 0.3 . 1 . . . . 157 GLN CA . 17740 1 387 . 1 1 86 86 GLN CB C 13 27.424 0.3 . 1 . . . . 157 GLN CB . 17740 1 388 . 1 1 86 86 GLN N N 15 116.491 0.3 . 1 . . . . 157 GLN N . 17740 1 389 . 1 1 87 87 LEU H H 1 8.078 0.02 . 1 . . . . 158 LEU H . 17740 1 390 . 1 1 87 87 LEU C C 13 178.527 0.3 . 1 . . . . 158 LEU C . 17740 1 391 . 1 1 87 87 LEU CA C 13 56.673 0.3 . 1 . . . . 158 LEU CA . 17740 1 392 . 1 1 87 87 LEU CB C 13 42.277 0.3 . 1 . . . . 158 LEU CB . 17740 1 393 . 1 1 87 87 LEU N N 15 118.777 0.3 . 1 . . . . 158 LEU N . 17740 1 394 . 1 1 88 88 LEU H H 1 7.752 0.02 . 1 . . . . 159 LEU H . 17740 1 395 . 1 1 88 88 LEU C C 13 176.019 0.3 . 1 . . . . 159 LEU C . 17740 1 396 . 1 1 88 88 LEU CA C 13 54.805 0.3 . 1 . . . . 159 LEU CA . 17740 1 397 . 1 1 88 88 LEU CB C 13 39.709 0.3 . 1 . . . . 159 LEU CB . 17740 1 398 . 1 1 88 88 LEU N N 15 116.623 0.3 . 1 . . . . 159 LEU N . 17740 1 399 . 1 1 89 89 ALA H H 1 7.013 0.02 . 1 . . . . 160 ALA H . 17740 1 400 . 1 1 89 89 ALA C C 13 175.360 0.3 . 1 . . . . 160 ALA C . 17740 1 401 . 1 1 89 89 ALA CA C 13 50.678 0.3 . 1 . . . . 160 ALA CA . 17740 1 402 . 1 1 89 89 ALA CB C 13 16.204 0.3 . 1 . . . . 160 ALA CB . 17740 1 403 . 1 1 89 89 ALA N N 15 124.189 0.3 . 1 . . . . 160 ALA N . 17740 1 404 . 1 1 91 91 GLY H H 1 8.328 0.02 . 1 . . . . 162 GLY H . 17740 1 405 . 1 1 91 91 GLY CA C 13 44.207 0.3 . 1 . . . . 162 GLY CA . 17740 1 406 . 1 1 91 91 GLY N N 15 108.997 0.3 . 1 . . . . 162 GLY N . 17740 1 407 . 1 1 92 92 ASN H H 1 7.098 0.02 . 1 . . . . 163 ASN H . 17740 1 408 . 1 1 92 92 ASN C C 13 172.680 0.3 . 1 . . . . 163 ASN C . 17740 1 409 . 1 1 92 92 ASN CA C 13 52.657 0.3 . 1 . . . . 163 ASN CA . 17740 1 410 . 1 1 92 92 ASN CB C 13 40.325 0.3 . 1 . . . . 163 ASN CB . 17740 1 411 . 1 1 92 92 ASN N N 15 116.014 0.3 . 1 . . . . 163 ASN N . 17740 1 412 . 1 1 93 93 MET H H 1 9.062 0.02 . 1 . . . . 164 MET H . 17740 1 413 . 1 1 93 93 MET C C 13 175.079 0.3 . 1 . . . . 164 MET C . 17740 1 414 . 1 1 93 93 MET CA C 13 53.781 0.3 . 1 . . . . 164 MET CA . 17740 1 415 . 1 1 93 93 MET CB C 13 35.013 0.3 . 1 . . . . 164 MET CB . 17740 1 416 . 1 1 93 93 MET N N 15 116.798 0.3 . 1 . . . . 164 MET N . 17740 1 417 . 1 1 94 94 LEU H H 1 8.336 0.02 . 1 . . . . 165 LEU H . 17740 1 418 . 1 1 94 94 LEU C C 13 179.635 0.3 . 1 . . . . 165 LEU C . 17740 1 419 . 1 1 94 94 LEU CA C 13 56.511 0.3 . 1 . . . . 165 LEU CA . 17740 1 420 . 1 1 94 94 LEU CB C 13 40.379 0.3 . 1 . . . . 165 LEU CB . 17740 1 421 . 1 1 94 94 LEU N N 15 121.170 0.3 . 1 . . . . 165 LEU N . 17740 1 422 . 1 1 95 95 GLY H H 1 8.954 0.02 . 1 . . . . 166 GLY H . 17740 1 423 . 1 1 95 95 GLY C C 13 174.729 0.3 . 1 . . . . 166 GLY C . 17740 1 424 . 1 1 95 95 GLY CA C 13 45.678 0.3 . 1 . . . . 166 GLY CA . 17740 1 425 . 1 1 95 95 GLY N N 15 115.062 0.3 . 1 . . . . 166 GLY N . 17740 1 426 . 1 1 96 96 SER H H 1 8.567 0.02 . 1 . . . . 167 SER H . 17740 1 427 . 1 1 96 96 SER C C 13 175.182 0.3 . 1 . . . . 167 SER C . 17740 1 428 . 1 1 96 96 SER CA C 13 60.706 0.3 . 1 . . . . 167 SER CA . 17740 1 429 . 1 1 96 96 SER CB C 13 62.648 0.3 . 1 . . . . 167 SER CB . 17740 1 430 . 1 1 96 96 SER N N 15 120.211 0.3 . 1 . . . . 167 SER N . 17740 1 431 . 1 1 97 97 PHE H H 1 7.613 0.02 . 1 . . . . 168 PHE H . 17740 1 432 . 1 1 97 97 PHE C C 13 173.706 0.3 . 1 . . . . 168 PHE C . 17740 1 433 . 1 1 97 97 PHE CA C 13 55.516 0.3 . 1 . . . . 168 PHE CA . 17740 1 434 . 1 1 97 97 PHE CB C 13 43.144 0.3 . 1 . . . . 168 PHE CB . 17740 1 435 . 1 1 97 97 PHE N N 15 114.572 0.3 . 1 . . . . 168 PHE N . 17740 1 436 . 1 1 98 98 MET H H 1 8.784 0.02 . 1 . . . . 169 MET H . 17740 1 437 . 1 1 98 98 MET C C 13 174.064 0.3 . 1 . . . . 169 MET C . 17740 1 438 . 1 1 98 98 MET CA C 13 54.378 0.3 . 1 . . . . 169 MET CA . 17740 1 439 . 1 1 98 98 MET CB C 13 37.181 0.3 . 1 . . . . 169 MET CB . 17740 1 440 . 1 1 98 98 MET N N 15 113.689 0.3 . 1 . . . . 169 MET N . 17740 1 441 . 1 1 99 99 ILE H H 1 9.490 0.02 . 1 . . . . 170 ILE H . 17740 1 442 . 1 1 99 99 ILE C C 13 172.984 0.3 . 1 . . . . 170 ILE C . 17740 1 443 . 1 1 99 99 ILE CA C 13 59.730 0.3 . 1 . . . . 170 ILE CA . 17740 1 444 . 1 1 99 99 ILE CB C 13 37.110 0.3 . 1 . . . . 170 ILE CB . 17740 1 445 . 1 1 99 99 ILE N N 15 121.688 0.3 . 1 . . . . 170 ILE N . 17740 1 446 . 1 1 100 100 ARG H H 1 8.983 0.02 . 1 . . . . 171 ARG H . 17740 1 447 . 1 1 100 100 ARG C C 13 175.420 0.3 . 1 . . . . 171 ARG C . 17740 1 448 . 1 1 100 100 ARG CA C 13 52.250 0.3 . 1 . . . . 171 ARG CA . 17740 1 449 . 1 1 100 100 ARG CB C 13 32.726 0.3 . 1 . . . . 171 ARG CB . 17740 1 450 . 1 1 100 100 ARG N N 15 122.163 0.3 . 1 . . . . 171 ARG N . 17740 1 451 . 1 1 101 101 ASP H H 1 8.659 0.02 . 1 . . . . 172 ASP H . 17740 1 452 . 1 1 101 101 ASP C C 13 175.922 0.3 . 1 . . . . 172 ASP C . 17740 1 453 . 1 1 101 101 ASP CA C 13 53.606 0.3 . 1 . . . . 172 ASP CA . 17740 1 454 . 1 1 101 101 ASP CB C 13 40.867 0.3 . 1 . . . . 172 ASP CB . 17740 1 455 . 1 1 101 101 ASP N N 15 120.444 0.3 . 1 . . . . 172 ASP N . 17740 1 456 . 1 1 102 102 SER H H 1 8.106 0.02 . 1 . . . . 173 SER H . 17740 1 457 . 1 1 102 102 SER C C 13 175.560 0.3 . 1 . . . . 173 SER C . 17740 1 458 . 1 1 102 102 SER CA C 13 57.213 0.3 . 1 . . . . 173 SER CA . 17740 1 459 . 1 1 102 102 SER CB C 13 62.821 0.3 . 1 . . . . 173 SER CB . 17740 1 460 . 1 1 102 102 SER N N 15 114.824 0.3 . 1 . . . . 173 SER N . 17740 1 461 . 1 1 103 103 GLU H H 1 8.138 0.02 . 1 . . . . 174 GLU H . 17740 1 462 . 1 1 103 103 GLU C C 13 174.459 0.3 . 1 . . . . 174 GLU C . 17740 1 463 . 1 1 103 103 GLU CA C 13 53.381 0.3 . 1 . . . . 174 GLU CA . 17740 1 464 . 1 1 103 103 GLU CB C 13 32.352 0.3 . 1 . . . . 174 GLU CB . 17740 1 465 . 1 1 103 103 GLU N N 15 121.951 0.3 . 1 . . . . 174 GLU N . 17740 1 466 . 1 1 107 107 GLY H H 1 9.132 0.02 . 1 . . . . 178 GLY H . 17740 1 467 . 1 1 107 107 GLY CA C 13 44.730 0.3 . 1 . . . . 178 GLY CA . 17740 1 468 . 1 1 107 107 GLY N N 15 113.306 0.3 . 1 . . . . 178 GLY N . 17740 1 469 . 1 1 108 108 SER H H 1 7.636 0.02 . 1 . . . . 179 SER H . 17740 1 470 . 1 1 108 108 SER C C 13 173.404 0.3 . 1 . . . . 179 SER C . 17740 1 471 . 1 1 108 108 SER CA C 13 56.294 0.3 . 1 . . . . 179 SER CA . 17740 1 472 . 1 1 108 108 SER CB C 13 63.688 0.3 . 1 . . . . 179 SER CB . 17740 1 473 . 1 1 108 108 SER N N 15 114.197 0.3 . 1 . . . . 179 SER N . 17740 1 474 . 1 1 109 109 TYR H H 1 8.840 0.02 . 1 . . . . 180 TYR H . 17740 1 475 . 1 1 109 109 TYR C C 13 175.179 0.3 . 1 . . . . 180 TYR C . 17740 1 476 . 1 1 109 109 TYR CA C 13 57.129 0.3 . 1 . . . . 180 TYR CA . 17740 1 477 . 1 1 109 109 TYR CB C 13 41.734 0.3 . 1 . . . . 180 TYR CB . 17740 1 478 . 1 1 109 109 TYR N N 15 121.662 0.3 . 1 . . . . 180 TYR N . 17740 1 479 . 1 1 110 110 SER H H 1 9.219 0.02 . 1 . . . . 181 SER H . 17740 1 480 . 1 1 110 110 SER C C 13 171.659 0.3 . 1 . . . . 181 SER C . 17740 1 481 . 1 1 110 110 SER CA C 13 57.292 0.3 . 1 . . . . 181 SER CA . 17740 1 482 . 1 1 110 110 SER CB C 13 65.104 0.3 . 1 . . . . 181 SER CB . 17740 1 483 . 1 1 110 110 SER N N 15 115.408 0.3 . 1 . . . . 181 SER N . 17740 1 484 . 1 1 111 111 LEU H H 1 9.457 0.02 . 1 . . . . 182 LEU H . 17740 1 485 . 1 1 111 111 LEU C C 13 175.222 0.3 . 1 . . . . 182 LEU C . 17740 1 486 . 1 1 111 111 LEU CA C 13 52.734 0.3 . 1 . . . . 182 LEU CA . 17740 1 487 . 1 1 111 111 LEU CB C 13 43.686 0.3 . 1 . . . . 182 LEU CB . 17740 1 488 . 1 1 111 111 LEU N N 15 127.113 0.3 . 1 . . . . 182 LEU N . 17740 1 489 . 1 1 112 112 SER H H 1 9.219 0.02 . 1 . . . . 183 SER H . 17740 1 490 . 1 1 112 112 SER C C 13 172.649 0.3 . 1 . . . . 183 SER C . 17740 1 491 . 1 1 112 112 SER CA C 13 57.804 0.3 . 1 . . . . 183 SER CA . 17740 1 492 . 1 1 112 112 SER CB C 13 64.239 0.3 . 1 . . . . 183 SER CB . 17740 1 493 . 1 1 112 112 SER N N 15 124.245 0.3 . 1 . . . . 183 SER N . 17740 1 494 . 1 1 113 113 VAL H H 1 9.050 0.02 . 1 . . . . 184 VAL H . 17740 1 495 . 1 1 113 113 VAL C C 13 174.120 0.3 . 1 . . . . 184 VAL C . 17740 1 496 . 1 1 113 113 VAL CA C 13 59.582 0.3 . 1 . . . . 184 VAL CA . 17740 1 497 . 1 1 113 113 VAL CB C 13 35.663 0.3 . 1 . . . . 184 VAL CB . 17740 1 498 . 1 1 113 113 VAL N N 15 122.489 0.3 . 1 . . . . 184 VAL N . 17740 1 499 . 1 1 114 114 ARG H H 1 9.015 0.02 . 1 . . . . 185 ARG H . 17740 1 500 . 1 1 114 114 ARG C C 13 173.179 0.3 . 1 . . . . 185 ARG C . 17740 1 501 . 1 1 114 114 ARG CA C 13 56.403 0.3 . 1 . . . . 185 ARG CA . 17740 1 502 . 1 1 114 114 ARG CB C 13 29.863 0.3 . 1 . . . . 185 ARG CB . 17740 1 503 . 1 1 114 114 ARG N N 15 127.407 0.3 . 1 . . . . 185 ARG N . 17740 1 504 . 1 1 115 115 ASP H H 1 9.235 0.02 . 1 . . . . 186 ASP H . 17740 1 505 . 1 1 115 115 ASP C C 13 175.409 0.3 . 1 . . . . 186 ASP C . 17740 1 506 . 1 1 115 115 ASP CA C 13 51.383 0.3 . 1 . . . . 186 ASP CA . 17740 1 507 . 1 1 115 115 ASP CB C 13 45.258 0.3 . 1 . . . . 186 ASP CB . 17740 1 508 . 1 1 115 115 ASP N N 15 129.886 0.3 . 1 . . . . 186 ASP N . 17740 1 509 . 1 1 116 116 TYR H H 1 8.605 0.02 . 1 . . . . 187 TYR H . 17740 1 510 . 1 1 116 116 TYR C C 13 173.049 0.3 . 1 . . . . 187 TYR C . 17740 1 511 . 1 1 116 116 TYR CA C 13 58.132 0.3 . 1 . . . . 187 TYR CA . 17740 1 512 . 1 1 116 116 TYR CB C 13 40.921 0.3 . 1 . . . . 187 TYR CB . 17740 1 513 . 1 1 116 116 TYR N N 15 122.612 0.3 . 1 . . . . 187 TYR N . 17740 1 514 . 1 1 117 117 ASP H H 1 7.586 0.02 . 1 . . . . 188 ASP H . 17740 1 515 . 1 1 117 117 ASP C C 13 173.524 0.3 . 1 . . . . 188 ASP C . 17740 1 516 . 1 1 117 117 ASP CA C 13 49.918 0.3 . 1 . . . . 188 ASP CA . 17740 1 517 . 1 1 117 117 ASP CB C 13 43.757 0.3 . 1 . . . . 188 ASP CB . 17740 1 518 . 1 1 117 117 ASP N N 15 128.072 0.3 . 1 . . . . 188 ASP N . 17740 1 519 . 1 1 119 119 ARG H H 1 8.204 0.02 . 1 . . . . 190 ARG H . 17740 1 520 . 1 1 119 119 ARG C C 13 177.373 0.3 . 1 . . . . 190 ARG C . 17740 1 521 . 1 1 119 119 ARG CA C 13 56.697 0.3 . 1 . . . . 190 ARG CA . 17740 1 522 . 1 1 119 119 ARG CB C 13 29.484 0.3 . 1 . . . . 190 ARG CB . 17740 1 523 . 1 1 119 119 ARG N N 15 115.714 0.3 . 1 . . . . 190 ARG N . 17740 1 524 . 1 1 120 120 GLN H H 1 8.383 0.02 . 1 . . . . 191 GLN H . 17740 1 525 . 1 1 120 120 GLN C C 13 175.916 0.3 . 1 . . . . 191 GLN C . 17740 1 526 . 1 1 120 120 GLN CA C 13 55.538 0.3 . 1 . . . . 191 GLN CA . 17740 1 527 . 1 1 120 120 GLN CB C 13 30.026 0.3 . 1 . . . . 191 GLN CB . 17740 1 528 . 1 1 120 120 GLN N N 15 116.271 0.3 . 1 . . . . 191 GLN N . 17740 1 529 . 1 1 121 121 GLY H H 1 8.483 0.02 . 1 . . . . 192 GLY H . 17740 1 530 . 1 1 121 121 GLY C C 13 173.629 0.3 . 1 . . . . 192 GLY C . 17740 1 531 . 1 1 121 121 GLY CA C 13 43.837 0.3 . 1 . . . . 192 GLY CA . 17740 1 532 . 1 1 121 121 GLY N N 15 109.625 0.3 . 1 . . . . 192 GLY N . 17740 1 533 . 1 1 122 122 ASP H H 1 8.351 0.02 . 1 . . . . 193 ASP H . 17740 1 534 . 1 1 122 122 ASP C C 13 175.511 0.3 . 1 . . . . 193 ASP C . 17740 1 535 . 1 1 122 122 ASP CA C 13 55.108 0.3 . 1 . . . . 193 ASP CA . 17740 1 536 . 1 1 122 122 ASP CB C 13 40.908 0.3 . 1 . . . . 193 ASP CB . 17740 1 537 . 1 1 122 122 ASP N N 15 123.347 0.3 . 1 . . . . 193 ASP N . 17740 1 538 . 1 1 123 123 THR H H 1 8.166 0.02 . 1 . . . . 194 THR H . 17740 1 539 . 1 1 123 123 THR C C 13 172.010 0.3 . 1 . . . . 194 THR C . 17740 1 540 . 1 1 123 123 THR CA C 13 59.270 0.3 . 1 . . . . 194 THR CA . 17740 1 541 . 1 1 123 123 THR CB C 13 71.006 0.3 . 1 . . . . 194 THR CB . 17740 1 542 . 1 1 123 123 THR N N 15 114.983 0.3 . 1 . . . . 194 THR N . 17740 1 543 . 1 1 124 124 VAL H H 1 8.237 0.02 . 1 . . . . 195 VAL H . 17740 1 544 . 1 1 124 124 VAL C C 13 174.291 0.3 . 1 . . . . 195 VAL C . 17740 1 545 . 1 1 124 124 VAL CA C 13 60.056 0.3 . 1 . . . . 195 VAL CA . 17740 1 546 . 1 1 124 124 VAL CB C 13 34.037 0.3 . 1 . . . . 195 VAL CB . 17740 1 547 . 1 1 124 124 VAL N N 15 120.150 0.3 . 1 . . . . 195 VAL N . 17740 1 548 . 1 1 125 125 LYS H H 1 8.651 0.02 . 1 . . . . 196 LYS H . 17740 1 549 . 1 1 125 125 LYS CA C 13 52.820 0.3 . 1 . . . . 196 LYS CA . 17740 1 550 . 1 1 125 125 LYS CB C 13 34.300 0.3 . 1 . . . . 196 LYS CB . 17740 1 551 . 1 1 125 125 LYS N N 15 126.298 0.3 . 1 . . . . 196 LYS N . 17740 1 552 . 1 1 126 126 HIS H H 1 8.166 0.02 . 1 . . . . 197 HIS H . 17740 1 553 . 1 1 126 126 HIS C C 13 175.189 0.3 . 1 . . . . 197 HIS C . 17740 1 554 . 1 1 126 126 HIS CA C 13 53.465 0.3 . 1 . . . . 197 HIS CA . 17740 1 555 . 1 1 126 126 HIS CB C 13 32.736 0.3 . 1 . . . . 197 HIS CB . 17740 1 556 . 1 1 126 126 HIS N N 15 118.630 0.3 . 1 . . . . 197 HIS N . 17740 1 557 . 1 1 127 127 TYR H H 1 9.822 0.02 . 1 . . . . 198 TYR H . 17740 1 558 . 1 1 127 127 TYR CA C 13 56.023 0.3 . 1 . . . . 198 TYR CA . 17740 1 559 . 1 1 127 127 TYR CB C 13 40.217 0.3 . 1 . . . . 198 TYR CB . 17740 1 560 . 1 1 127 127 TYR N N 15 121.377 0.3 . 1 . . . . 198 TYR N . 17740 1 561 . 1 1 128 128 LYS H H 1 8.975 0.02 . 1 . . . . 199 LYS H . 17740 1 562 . 1 1 128 128 LYS CA C 13 56.126 0.3 . 1 . . . . 199 LYS CA . 17740 1 563 . 1 1 128 128 LYS CB C 13 31.549 0.3 . 1 . . . . 199 LYS CB . 17740 1 564 . 1 1 128 128 LYS N N 15 125.178 0.3 . 1 . . . . 199 LYS N . 17740 1 565 . 1 1 129 129 ILE H H 1 8.520 0.02 . 1 . . . . 200 ILE H . 17740 1 566 . 1 1 129 129 ILE C C 13 175.813 0.3 . 1 . . . . 200 ILE C . 17740 1 567 . 1 1 129 129 ILE CA C 13 60.333 0.3 . 1 . . . . 200 ILE CA . 17740 1 568 . 1 1 129 129 ILE CB C 13 36.353 0.3 . 1 . . . . 200 ILE CB . 17740 1 569 . 1 1 129 129 ILE N N 15 126.284 0.3 . 1 . . . . 200 ILE N . 17740 1 570 . 1 1 130 130 ARG H H 1 8.828 0.02 . 1 . . . . 201 ARG H . 17740 1 571 . 1 1 130 130 ARG C C 13 174.918 0.3 . 1 . . . . 201 ARG C . 17740 1 572 . 1 1 130 130 ARG CA C 13 54.025 0.3 . 1 . . . . 201 ARG CA . 17740 1 573 . 1 1 130 130 ARG CB C 13 30.297 0.3 . 1 . . . . 201 ARG CB . 17740 1 574 . 1 1 130 130 ARG N N 15 129.489 0.3 . 1 . . . . 201 ARG N . 17740 1 575 . 1 1 131 131 THR H H 1 8.025 0.02 . 1 . . . . 202 THR H . 17740 1 576 . 1 1 131 131 THR C C 13 175.878 0.3 . 1 . . . . 202 THR C . 17740 1 577 . 1 1 131 131 THR CA C 13 58.911 0.3 . 1 . . . . 202 THR CA . 17740 1 578 . 1 1 131 131 THR CB C 13 70.464 0.3 . 1 . . . . 202 THR CB . 17740 1 579 . 1 1 131 131 THR N N 15 109.243 0.3 . 1 . . . . 202 THR N . 17740 1 580 . 1 1 132 132 LEU H H 1 8.178 0.02 . 1 . . . . 203 LEU H . 17740 1 581 . 1 1 132 132 LEU C C 13 178.869 0.3 . 1 . . . . 203 LEU C . 17740 1 582 . 1 1 132 132 LEU CA C 13 53.034 0.3 . 1 . . . . 203 LEU CA . 17740 1 583 . 1 1 132 132 LEU CB C 13 42.114 0.3 . 1 . . . . 203 LEU CB . 17740 1 584 . 1 1 132 132 LEU N N 15 124.072 0.3 . 1 . . . . 203 LEU N . 17740 1 585 . 1 1 135 135 GLY H H 1 7.707 0.02 . 1 . . . . 206 GLY H . 17740 1 586 . 1 1 135 135 GLY C C 13 173.455 0.3 . 1 . . . . 206 GLY C . 17740 1 587 . 1 1 135 135 GLY CA C 13 44.228 0.3 . 1 . . . . 206 GLY CA . 17740 1 588 . 1 1 135 135 GLY N N 15 108.222 0.3 . 1 . . . . 206 GLY N . 17740 1 589 . 1 1 136 136 GLY H H 1 7.802 0.02 . 1 . . . . 207 GLY H . 17740 1 590 . 1 1 136 136 GLY C C 13 172.304 0.3 . 1 . . . . 207 GLY C . 17740 1 591 . 1 1 136 136 GLY CA C 13 43.919 0.3 . 1 . . . . 207 GLY CA . 17740 1 592 . 1 1 136 136 GLY N N 15 109.435 0.3 . 1 . . . . 207 GLY N . 17740 1 593 . 1 1 137 137 PHE H H 1 9.168 0.02 . 1 . . . . 208 PHE H . 17740 1 594 . 1 1 137 137 PHE C C 13 176.095 0.3 . 1 . . . . 208 PHE C . 17740 1 595 . 1 1 137 137 PHE CA C 13 56.457 0.3 . 1 . . . . 208 PHE CA . 17740 1 596 . 1 1 137 137 PHE CB C 13 43.144 0.3 . 1 . . . . 208 PHE CB . 17740 1 597 . 1 1 137 137 PHE N N 15 117.300 0.3 . 1 . . . . 208 PHE N . 17740 1 598 . 1 1 138 138 TYR H H 1 8.968 0.02 . 1 . . . . 209 TYR H . 17740 1 599 . 1 1 138 138 TYR C C 13 172.280 0.3 . 1 . . . . 209 TYR C . 17740 1 600 . 1 1 138 138 TYR CA C 13 57.617 0.3 . 1 . . . . 209 TYR CA . 17740 1 601 . 1 1 138 138 TYR CB C 13 39.650 0.3 . 1 . . . . 209 TYR CB . 17740 1 602 . 1 1 138 138 TYR N N 15 114.849 0.3 . 1 . . . . 209 TYR N . 17740 1 603 . 1 1 139 139 ILE H H 1 9.790 0.02 . 1 . . . . 210 ILE H . 17740 1 604 . 1 1 139 139 ILE C C 13 176.915 0.3 . 1 . . . . 210 ILE C . 17740 1 605 . 1 1 139 139 ILE CA C 13 62.803 0.3 . 1 . . . . 210 ILE CA . 17740 1 606 . 1 1 139 139 ILE CB C 13 38.699 0.3 . 1 . . . . 210 ILE CB . 17740 1 607 . 1 1 139 139 ILE N N 15 119.692 0.3 . 1 . . . . 210 ILE N . 17740 1 608 . 1 1 140 140 SER H H 1 9.164 0.02 . 1 . . . . 211 SER H . 17740 1 609 . 1 1 140 140 SER CA C 13 53.647 0.3 . 1 . . . . 211 SER CA . 17740 1 610 . 1 1 140 140 SER CB C 13 64.338 0.3 . 1 . . . . 211 SER CB . 17740 1 611 . 1 1 140 140 SER N N 15 116.816 0.3 . 1 . . . . 211 SER N . 17740 1 612 . 1 1 142 142 ARG H H 1 7.506 0.02 . 1 . . . . 213 ARG H . 17740 1 613 . 1 1 142 142 ARG C C 13 176.356 0.3 . 1 . . . . 213 ARG C . 17740 1 614 . 1 1 142 142 ARG CA C 13 56.712 0.3 . 1 . . . . 213 ARG CA . 17740 1 615 . 1 1 142 142 ARG CB C 13 29.267 0.3 . 1 . . . . 213 ARG CB . 17740 1 616 . 1 1 142 142 ARG N N 15 114.233 0.3 . 1 . . . . 213 ARG N . 17740 1 617 . 1 1 143 143 SER H H 1 7.691 0.02 . 1 . . . . 214 SER H . 17740 1 618 . 1 1 143 143 SER C C 13 170.885 0.3 . 1 . . . . 214 SER C . 17740 1 619 . 1 1 143 143 SER CA C 13 56.200 0.3 . 1 . . . . 214 SER CA . 17740 1 620 . 1 1 143 143 SER CB C 13 63.742 0.3 . 1 . . . . 214 SER CB . 17740 1 621 . 1 1 143 143 SER N N 15 116.342 0.3 . 1 . . . . 214 SER N . 17740 1 622 . 1 1 144 144 THR H H 1 7.653 0.02 . 1 . . . . 215 THR H . 17740 1 623 . 1 1 144 144 THR C C 13 173.196 0.3 . 1 . . . . 215 THR C . 17740 1 624 . 1 1 144 144 THR CA C 13 58.863 0.3 . 1 . . . . 215 THR CA . 17740 1 625 . 1 1 144 144 THR CB C 13 69.867 0.3 . 1 . . . . 215 THR CB . 17740 1 626 . 1 1 144 144 THR N N 15 113.988 0.3 . 1 . . . . 215 THR N . 17740 1 627 . 1 1 145 145 PHE H H 1 9.028 0.02 . 1 . . . . 216 PHE H . 17740 1 628 . 1 1 145 145 PHE C C 13 176.170 0.3 . 1 . . . . 216 PHE C . 17740 1 629 . 1 1 145 145 PHE CA C 13 56.099 0.3 . 1 . . . . 216 PHE CA . 17740 1 630 . 1 1 145 145 PHE CB C 13 43.252 0.3 . 1 . . . . 216 PHE CB . 17740 1 631 . 1 1 145 145 PHE N N 15 118.440 0.3 . 1 . . . . 216 PHE N . 17740 1 632 . 1 1 146 146 SER H H 1 9.463 0.02 . 1 . . . . 217 SER H . 17740 1 633 . 1 1 146 146 SER C C 13 174.308 0.3 . 1 . . . . 217 SER C . 17740 1 634 . 1 1 146 146 SER CA C 13 60.726 0.3 . 1 . . . . 217 SER CA . 17740 1 635 . 1 1 146 146 SER CB C 13 62.766 0.3 . 1 . . . . 217 SER CB . 17740 1 636 . 1 1 146 146 SER N N 15 117.826 0.3 . 1 . . . . 217 SER N . 17740 1 637 . 1 1 147 147 THR H H 1 7.476 0.02 . 1 . . . . 218 THR H . 17740 1 638 . 1 1 147 147 THR C C 13 174.664 0.3 . 1 . . . . 218 THR C . 17740 1 639 . 1 1 147 147 THR CA C 13 58.494 0.3 . 1 . . . . 218 THR CA . 17740 1 640 . 1 1 147 147 THR CB C 13 72.620 0.3 . 1 . . . . 218 THR CB . 17740 1 641 . 1 1 147 147 THR N N 15 106.436 0.3 . 1 . . . . 218 THR N . 17740 1 642 . 1 1 148 148 LEU H H 1 8.986 0.02 . 1 . . . . 219 LEU H . 17740 1 643 . 1 1 148 148 LEU C C 13 178.466 0.3 . 1 . . . . 219 LEU C . 17740 1 644 . 1 1 148 148 LEU CA C 13 56.207 0.3 . 1 . . . . 219 LEU CA . 17740 1 645 . 1 1 148 148 LEU CB C 13 40.298 0.3 . 1 . . . . 219 LEU CB . 17740 1 646 . 1 1 148 148 LEU N N 15 121.740 0.3 . 1 . . . . 219 LEU N . 17740 1 647 . 1 1 149 149 GLN H H 1 8.856 0.02 . 1 . . . . 220 GLN H . 17740 1 648 . 1 1 149 149 GLN C C 13 176.272 0.3 . 1 . . . . 220 GLN C . 17740 1 649 . 1 1 149 149 GLN CA C 13 59.471 0.3 . 1 . . . . 220 GLN CA . 17740 1 650 . 1 1 149 149 GLN CB C 13 26.232 0.3 . 1 . . . . 220 GLN CB . 17740 1 651 . 1 1 149 149 GLN N N 15 118.051 0.3 . 1 . . . . 220 GLN N . 17740 1 652 . 1 1 150 150 GLU H H 1 7.774 0.02 . 1 . . . . 221 GLU H . 17740 1 653 . 1 1 150 150 GLU C C 13 178.190 0.3 . 1 . . . . 221 GLU C . 17740 1 654 . 1 1 150 150 GLU CA C 13 58.348 0.3 . 1 . . . . 221 GLU CA . 17740 1 655 . 1 1 150 150 GLU CB C 13 30.080 0.3 . 1 . . . . 221 GLU CB . 17740 1 656 . 1 1 150 150 GLU N N 15 118.258 0.3 . 1 . . . . 221 GLU N . 17740 1 657 . 1 1 151 151 LEU H H 1 6.910 0.02 . 1 . . . . 222 LEU H . 17740 1 658 . 1 1 151 151 LEU C C 13 177.239 0.3 . 1 . . . . 222 LEU C . 17740 1 659 . 1 1 151 151 LEU CA C 13 58.240 0.3 . 1 . . . . 222 LEU CA . 17740 1 660 . 1 1 151 151 LEU CB C 13 40.260 0.3 . 1 . . . . 222 LEU CB . 17740 1 661 . 1 1 151 151 LEU N N 15 123.018 0.3 . 1 . . . . 222 LEU N . 17740 1 662 . 1 1 152 152 VAL H H 1 7.853 0.02 . 1 . . . . 223 VAL H . 17740 1 663 . 1 1 152 152 VAL C C 13 176.948 0.3 . 1 . . . . 223 VAL C . 17740 1 664 . 1 1 152 152 VAL CA C 13 66.196 0.3 . 1 . . . . 223 VAL CA . 17740 1 665 . 1 1 152 152 VAL CB C 13 30.134 0.3 . 1 . . . . 223 VAL CB . 17740 1 666 . 1 1 152 152 VAL N N 15 119.701 0.3 . 1 . . . . 223 VAL N . 17740 1 667 . 1 1 153 153 ASP H H 1 7.819 0.02 . 1 . . . . 224 ASP H . 17740 1 668 . 1 1 153 153 ASP C C 13 178.698 0.3 . 1 . . . . 224 ASP C . 17740 1 669 . 1 1 153 153 ASP CA C 13 56.929 0.3 . 1 . . . . 224 ASP CA . 17740 1 670 . 1 1 153 153 ASP CB C 13 39.891 0.3 . 1 . . . . 224 ASP CB . 17740 1 671 . 1 1 153 153 ASP N N 15 116.383 0.3 . 1 . . . . 224 ASP N . 17740 1 672 . 1 1 154 154 HIS H H 1 7.657 0.02 . 1 . . . . 225 HIS H . 17740 1 673 . 1 1 154 154 HIS C C 13 178.752 0.3 . 1 . . . . 225 HIS C . 17740 1 674 . 1 1 154 154 HIS CA C 13 59.738 0.3 . 1 . . . . 225 HIS CA . 17740 1 675 . 1 1 154 154 HIS CB C 13 30.724 0.3 . 1 . . . . 225 HIS CB . 17740 1 676 . 1 1 154 154 HIS N N 15 118.414 0.3 . 1 . . . . 225 HIS N . 17740 1 677 . 1 1 155 155 TYR H H 1 7.523 0.02 . 1 . . . . 226 TYR H . 17740 1 678 . 1 1 155 155 TYR C C 13 176.915 0.3 . 1 . . . . 226 TYR C . 17740 1 679 . 1 1 155 155 TYR CA C 13 60.418 0.3 . 1 . . . . 226 TYR CA . 17740 1 680 . 1 1 155 155 TYR CB C 13 36.260 0.3 . 1 . . . . 226 TYR CB . 17740 1 681 . 1 1 155 155 TYR N N 15 116.629 0.3 . 1 . . . . 226 TYR N . 17740 1 682 . 1 1 156 156 LYS H H 1 7.661 0.02 . 1 . . . . 227 LYS H . 17740 1 683 . 1 1 156 156 LYS C C 13 178.309 0.3 . 1 . . . . 227 LYS C . 17740 1 684 . 1 1 156 156 LYS CA C 13 57.237 0.3 . 1 . . . . 227 LYS CA . 17740 1 685 . 1 1 156 156 LYS CB C 13 32.357 0.3 . 1 . . . . 227 LYS CB . 17740 1 686 . 1 1 156 156 LYS N N 15 118.734 0.3 . 1 . . . . 227 LYS N . 17740 1 687 . 1 1 157 157 LYS H H 1 7.355 0.02 . 1 . . . . 228 LYS H . 17740 1 688 . 1 1 157 157 LYS C C 13 177.604 0.3 . 1 . . . . 228 LYS C . 17740 1 689 . 1 1 157 157 LYS CA C 13 57.029 0.3 . 1 . . . . 228 LYS CA . 17740 1 690 . 1 1 157 157 LYS CB C 13 31.307 0.3 . 1 . . . . 228 LYS CB . 17740 1 691 . 1 1 157 157 LYS N N 15 117.308 0.3 . 1 . . . . 228 LYS N . 17740 1 692 . 1 1 158 158 GLY H H 1 7.098 0.02 . 1 . . . . 229 GLY H . 17740 1 693 . 1 1 158 158 GLY C C 13 171.168 0.3 . 1 . . . . 229 GLY C . 17740 1 694 . 1 1 158 158 GLY CA C 13 44.355 0.3 . 1 . . . . 229 GLY CA . 17740 1 695 . 1 1 158 158 GLY N N 15 105.414 0.3 . 1 . . . . 229 GLY N . 17740 1 696 . 1 1 160 160 ASP H H 1 8.579 0.02 . 1 . . . . 231 ASP H . 17740 1 697 . 1 1 160 160 ASP CA C 13 54.025 0.3 . 1 . . . . 231 ASP CA . 17740 1 698 . 1 1 160 160 ASP CB C 13 39.946 0.3 . 1 . . . . 231 ASP CB . 17740 1 699 . 1 1 160 160 ASP N N 15 118.106 0.3 . 1 . . . . 231 ASP N . 17740 1 700 . 1 1 161 161 GLY H H 1 8.013 0.02 . 1 . . . . 232 GLY H . 17740 1 701 . 1 1 161 161 GLY C C 13 175.317 0.3 . 1 . . . . 232 GLY C . 17740 1 702 . 1 1 161 161 GLY CA C 13 44.622 0.3 . 1 . . . . 232 GLY CA . 17740 1 703 . 1 1 161 161 GLY N N 15 105.414 0.3 . 1 . . . . 232 GLY N . 17740 1 704 . 1 1 162 162 LEU H H 1 8.326 0.02 . 1 . . . . 233 LEU H . 17740 1 705 . 1 1 162 162 LEU C C 13 177.869 0.3 . 1 . . . . 233 LEU C . 17740 1 706 . 1 1 162 162 LEU CA C 13 53.551 0.3 . 1 . . . . 233 LEU CA . 17740 1 707 . 1 1 162 162 LEU CB C 13 40.921 0.3 . 1 . . . . 233 LEU CB . 17740 1 708 . 1 1 162 162 LEU N N 15 119.779 0.3 . 1 . . . . 233 LEU N . 17740 1 709 . 1 1 163 163 CYS H H 1 7.697 0.02 . 1 . . . . 234 CYS H . 17740 1 710 . 1 1 163 163 CYS C C 13 173.608 0.3 . 1 . . . . 234 CYS C . 17740 1 711 . 1 1 163 163 CYS CA C 13 57.572 0.3 . 1 . . . . 234 CYS CA . 17740 1 712 . 1 1 163 163 CYS CB C 13 27.641 0.3 . 1 . . . . 234 CYS CB . 17740 1 713 . 1 1 163 163 CYS N N 15 115.642 0.3 . 1 . . . . 234 CYS N . 17740 1 714 . 1 1 164 164 GLN H H 1 6.927 0.02 . 1 . . . . 235 GLN H . 17740 1 715 . 1 1 164 164 GLN C C 13 173.927 0.3 . 1 . . . . 235 GLN C . 17740 1 716 . 1 1 164 164 GLN CA C 13 52.660 0.3 . 1 . . . . 235 GLN CA . 17740 1 717 . 1 1 164 164 GLN CB C 13 31.869 0.3 . 1 . . . . 235 GLN CB . 17740 1 718 . 1 1 164 164 GLN N N 15 117.191 0.3 . 1 . . . . 235 GLN N . 17740 1 719 . 1 1 165 165 LYS H H 1 7.951 0.02 . 1 . . . . 236 LYS H . 17740 1 720 . 1 1 165 165 LYS C C 13 176.315 0.3 . 1 . . . . 236 LYS C . 17740 1 721 . 1 1 165 165 LYS CA C 13 55.634 0.3 . 1 . . . . 236 LYS CA . 17740 1 722 . 1 1 165 165 LYS CB C 13 31.436 0.3 . 1 . . . . 236 LYS CB . 17740 1 723 . 1 1 165 165 LYS N N 15 118.952 0.3 . 1 . . . . 236 LYS N . 17740 1 724 . 1 1 166 166 LEU H H 1 7.722 0.02 . 1 . . . . 237 LEU H . 17740 1 725 . 1 1 166 166 LEU C C 13 176.674 0.3 . 1 . . . . 237 LEU C . 17740 1 726 . 1 1 166 166 LEU CA C 13 54.241 0.3 . 1 . . . . 237 LEU CA . 17740 1 727 . 1 1 166 166 LEU CB C 13 38.265 0.3 . 1 . . . . 237 LEU CB . 17740 1 728 . 1 1 166 166 LEU N N 15 124.323 0.3 . 1 . . . . 237 LEU N . 17740 1 729 . 1 1 167 167 SER H H 1 8.451 0.02 . 1 . . . . 238 SER H . 17740 1 730 . 1 1 167 167 SER C C 13 174.641 0.3 . 1 . . . . 238 SER C . 17740 1 731 . 1 1 167 167 SER CA C 13 55.991 0.3 . 1 . . . . 238 SER CA . 17740 1 732 . 1 1 167 167 SER CB C 13 63.525 0.3 . 1 . . . . 238 SER CB . 17740 1 733 . 1 1 167 167 SER N N 15 116.506 0.3 . 1 . . . . 238 SER N . 17740 1 734 . 1 1 168 168 VAL H H 1 8.121 0.02 . 1 . . . . 239 VAL H . 17740 1 735 . 1 1 168 168 VAL C C 13 172.554 0.3 . 1 . . . . 239 VAL C . 17740 1 736 . 1 1 168 168 VAL CA C 13 57.237 0.3 . 1 . . . . 239 VAL CA . 17740 1 737 . 1 1 168 168 VAL CB C 13 33.007 0.3 . 1 . . . . 239 VAL CB . 17740 1 738 . 1 1 168 168 VAL N N 15 117.349 0.3 . 1 . . . . 239 VAL N . 17740 1 739 . 1 1 170 170 CYS H H 1 8.564 0.02 . 1 . . . . 241 CYS H . 17740 1 740 . 1 1 170 170 CYS C C 13 172.403 0.3 . 1 . . . . 241 CYS C . 17740 1 741 . 1 1 170 170 CYS CA C 13 59.189 0.3 . 1 . . . . 241 CYS CA . 17740 1 742 . 1 1 170 170 CYS CB C 13 26.990 0.3 . 1 . . . . 241 CYS CB . 17740 1 743 . 1 1 170 170 CYS N N 15 123.355 0.3 . 1 . . . . 241 CYS N . 17740 1 744 . 1 1 171 171 MET H H 1 8.651 0.02 . 1 . . . . 242 MET H . 17740 1 745 . 1 1 171 171 MET C C 13 176.591 0.3 . 1 . . . . 242 MET C . 17740 1 746 . 1 1 171 171 MET CA C 13 56.153 0.3 . 1 . . . . 242 MET CA . 17740 1 747 . 1 1 171 171 MET CB C 13 31.868 0.3 . 1 . . . . 242 MET CB . 17740 1 748 . 1 1 171 171 MET N N 15 128.150 0.3 . 1 . . . . 242 MET N . 17740 1 749 . 1 1 172 172 SER H H 1 8.570 0.02 . 1 . . . . 243 SER H . 17740 1 750 . 1 1 172 172 SER CA C 13 57.405 0.3 . 1 . . . . 243 SER CA . 17740 1 751 . 1 1 172 172 SER CB C 13 63.659 0.3 . 1 . . . . 243 SER CB . 17740 1 752 . 1 1 172 172 SER N N 15 118.165 0.3 . 1 . . . . 243 SER N . 17740 1 753 . 1 1 174 174 LYS H H 1 8.296 0.02 . 1 . . . . 245 LYS H . 17740 1 754 . 1 1 174 174 LYS C C 13 174.286 0.3 . 1 . . . . 245 LYS C . 17740 1 755 . 1 1 174 174 LYS CA C 13 53.764 0.3 . 1 . . . . 245 LYS CA . 17740 1 756 . 1 1 174 174 LYS CB C 13 30.996 0.3 . 1 . . . . 245 LYS CB . 17740 1 757 . 1 1 174 174 LYS N N 15 123.813 0.3 . 1 . . . . 245 LYS N . 17740 1 758 . 1 1 176 176 GLN H H 1 8.408 0.02 . 1 . . . . 247 GLN H . 17740 1 759 . 1 1 176 176 GLN C C 13 175.798 0.3 . 1 . . . . 247 GLN C . 17740 1 760 . 1 1 176 176 GLN CA C 13 55.177 0.3 . 1 . . . . 247 GLN CA . 17740 1 761 . 1 1 176 176 GLN CB C 13 28.583 0.3 . 1 . . . . 247 GLN CB . 17740 1 762 . 1 1 176 176 GLN N N 15 120.360 0.3 . 1 . . . . 247 GLN N . 17740 1 763 . 1 1 177 177 LYS H H 1 8.287 0.02 . 1 . . . . 248 LYS H . 17740 1 764 . 1 1 177 177 LYS C C 13 174.615 0.3 . 1 . . . . 248 LYS C . 17740 1 765 . 1 1 177 177 LYS CA C 13 53.106 0.3 . 1 . . . . 248 LYS CA . 17740 1 766 . 1 1 177 177 LYS CB C 13 30.460 0.3 . 1 . . . . 248 LYS CB . 17740 1 767 . 1 1 177 177 LYS N N 15 122.465 0.3 . 1 . . . . 248 LYS N . 17740 1 768 . 1 1 179 179 TRP H H 1 7.490 0.02 . 1 . . . . 250 TRP H . 17740 1 769 . 1 1 179 179 TRP C C 13 176.265 0.3 . 1 . . . . 250 TRP C . 17740 1 770 . 1 1 179 179 TRP CA C 13 56.749 0.3 . 1 . . . . 250 TRP CA . 17740 1 771 . 1 1 179 179 TRP CB C 13 27.912 0.3 . 1 . . . . 250 TRP CB . 17740 1 772 . 1 1 179 179 TRP N N 15 117.477 0.3 . 1 . . . . 250 TRP N . 17740 1 773 . 1 1 180 180 GLU H H 1 7.845 0.02 . 1 . . . . 251 GLU H . 17740 1 774 . 1 1 180 180 GLU C C 13 176.114 0.3 . 1 . . . . 251 GLU C . 17740 1 775 . 1 1 180 180 GLU CA C 13 55.862 0.3 . 1 . . . . 251 GLU CA . 17740 1 776 . 1 1 180 180 GLU CB C 13 29.376 0.3 . 1 . . . . 251 GLU CB . 17740 1 777 . 1 1 180 180 GLU N N 15 122.353 0.3 . 1 . . . . 251 GLU N . 17740 1 778 . 1 1 181 181 LYS H H 1 7.934 0.02 . 1 . . . . 252 LYS H . 17740 1 779 . 1 1 181 181 LYS C C 13 176.362 0.3 . 1 . . . . 252 LYS C . 17740 1 780 . 1 1 181 181 LYS CA C 13 56.153 0.3 . 1 . . . . 252 LYS CA . 17740 1 781 . 1 1 181 181 LYS CB C 13 31.815 0.3 . 1 . . . . 252 LYS CB . 17740 1 782 . 1 1 181 181 LYS N N 15 121.196 0.3 . 1 . . . . 252 LYS N . 17740 1 783 . 1 1 182 182 ASP H H 1 8.336 0.02 . 1 . . . . 253 ASP H . 17740 1 784 . 1 1 182 182 ASP C C 13 176.383 0.3 . 1 . . . . 253 ASP C . 17740 1 785 . 1 1 182 182 ASP CA C 13 54.202 0.3 . 1 . . . . 253 ASP CA . 17740 1 786 . 1 1 182 182 ASP CB C 13 40.217 0.3 . 1 . . . . 253 ASP CB . 17740 1 787 . 1 1 182 182 ASP N N 15 120.462 0.3 . 1 . . . . 253 ASP N . 17740 1 788 . 1 1 183 183 ALA H H 1 8.069 0.02 . 1 . . . . 254 ALA H . 17740 1 789 . 1 1 183 183 ALA C C 13 178.029 0.3 . 1 . . . . 254 ALA C . 17740 1 790 . 1 1 183 183 ALA CA C 13 52.620 0.3 . 1 . . . . 254 ALA CA . 17740 1 791 . 1 1 183 183 ALA CB C 13 17.667 0.3 . 1 . . . . 254 ALA CB . 17740 1 792 . 1 1 183 183 ALA N N 15 123.018 0.3 . 1 . . . . 254 ALA N . 17740 1 793 . 1 1 184 184 TRP H H 1 7.948 0.02 . 1 . . . . 255 TRP H . 17740 1 794 . 1 1 184 184 TRP C C 13 176.790 0.3 . 1 . . . . 255 TRP C . 17740 1 795 . 1 1 184 184 TRP CA C 13 57.454 0.3 . 1 . . . . 255 TRP CA . 17740 1 796 . 1 1 184 184 TRP CB C 13 28.291 0.3 . 1 . . . . 255 TRP CB . 17740 1 797 . 1 1 184 184 TRP N N 15 118.778 0.3 . 1 . . . . 255 TRP N . 17740 1 798 . 1 1 185 185 GLU H H 1 8.078 0.02 . 1 . . . . 256 GLU H . 17740 1 799 . 1 1 185 185 GLU C C 13 176.631 0.3 . 1 . . . . 256 GLU C . 17740 1 800 . 1 1 185 185 GLU CA C 13 56.511 0.3 . 1 . . . . 256 GLU CA . 17740 1 801 . 1 1 185 185 GLU CB C 13 28.942 0.3 . 1 . . . . 256 GLU CB . 17740 1 802 . 1 1 185 185 GLU N N 15 120.833 0.3 . 1 . . . . 256 GLU N . 17740 1 803 . 1 1 186 186 LEU H H 1 7.874 0.02 . 1 . . . . 257 LEU H . 17740 1 804 . 1 1 186 186 LEU C C 13 177.604 0.3 . 1 . . . . 257 LEU C . 17740 1 805 . 1 1 186 186 LEU CA C 13 54.944 0.3 . 1 . . . . 257 LEU CA . 17740 1 806 . 1 1 186 186 LEU CB C 13 40.976 0.3 . 1 . . . . 257 LEU CB . 17740 1 807 . 1 1 186 186 LEU N N 15 121.109 0.3 . 1 . . . . 257 LEU N . 17740 1 808 . 1 1 187 187 GLU H H 1 8.113 0.02 . 1 . . . . 258 GLU H . 17740 1 809 . 1 1 187 187 GLU C C 13 176.330 0.3 . 1 . . . . 258 GLU C . 17740 1 810 . 1 1 187 187 GLU CA C 13 56.424 0.3 . 1 . . . . 258 GLU CA . 17740 1 811 . 1 1 187 187 GLU CB C 13 29.105 0.3 . 1 . . . . 258 GLU CB . 17740 1 812 . 1 1 187 187 GLU N N 15 119.857 0.3 . 1 . . . . 258 GLU N . 17740 1 813 . 1 1 188 188 HIS H H 1 8.034 0.02 . 1 . . . . 259 HIS H . 17740 1 814 . 1 1 188 188 HIS C C 13 175.231 0.3 . 1 . . . . 259 HIS C . 17740 1 815 . 1 1 188 188 HIS CA C 13 56.019 0.3 . 1 . . . . 259 HIS CA . 17740 1 816 . 1 1 188 188 HIS CB C 13 29.831 0.3 . 1 . . . . 259 HIS CB . 17740 1 817 . 1 1 188 188 HIS N N 15 119.113 0.3 . 1 . . . . 259 HIS N . 17740 1 818 . 1 1 193 193 HIS H H 1 7.792 0.02 . 1 . . . . 264 HIS H . 17740 1 819 . 1 1 193 193 HIS C C 13 179.788 0.3 . 1 . . . . 264 HIS C . 17740 1 820 . 1 1 193 193 HIS CA C 13 56.943 0.3 . 1 . . . . 264 HIS CA . 17740 1 821 . 1 1 193 193 HIS CB C 13 30.297 0.3 . 1 . . . . 264 HIS CB . 17740 1 822 . 1 1 193 193 HIS N N 15 125.619 0.3 . 1 . . . . 264 HIS N . 17740 1 stop_ save_