data_17819 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone 1H, 13C, 15N assignment of Hck kinase regulatory segment complex with full length Nef ; _BMRB_accession_number 17819 _BMRB_flat_file_name bmr17819.str _Entry_type original _Submission_date 2011-07-29 _Accession_date 2011-07-29 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Jung Jinwon . . 2 Byeon In-Ja L. . 3 Ahn Jinwoo . . 4 Gronenborn Angela M. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 146 "13C chemical shifts" 259 "15N chemical shifts" 146 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2014-04-23 original author . stop_ _Original_release_date 2014-04-23 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Structure, dynamics, and Hck interaction of full-length HIV-1 Nef.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 21365684 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Jung Jinwon . . 2 Byeon In-Ja L. . 3 Ahn Jinwoo . . 4 Gronenborn Angela M. . stop_ _Journal_abbreviation Proteins _Journal_name_full Proteins _Journal_volume 79 _Journal_issue 5 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 1609 _Page_last 1622 _Year 2011 _Details . loop_ _Keyword AIDS Hck HIV Nef SH2 SH3 stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name Hck32L/Nef _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label Hck32L $Hck32L Nef $Nef stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_Hck32L _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Hck32L _Molecular_mass . _Mol_thiol_state 'all free' loop_ _Biological_function 'Regulatory domain of Hck' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 193 _Mol_residue_sequence ; GIREAGSEDIIVVALYDYEA IHHEDLSFQKGDQMVVLEES GEWWKARSLATRKEGYIPSN YVARVDSLETEEWFFKGISR KDAERQLLAPGNMLGSFMIR DSETTKGSYSLSVRDYDPRQ GDTVKHYKIRTLDNGGFYIS PRSTFSTLQELVDHYKKGND GLCQKLSVPCMSSKPQKPWE KDAWELEHHHHHH ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 72 GLY 2 73 ILE 3 74 ARG 4 75 GLU 5 76 ALA 6 77 GLY 7 78 SER 8 79 GLU 9 80 ASP 10 81 ILE 11 82 ILE 12 83 VAL 13 84 VAL 14 85 ALA 15 86 LEU 16 87 TYR 17 88 ASP 18 89 TYR 19 90 GLU 20 91 ALA 21 92 ILE 22 93 HIS 23 94 HIS 24 95 GLU 25 96 ASP 26 97 LEU 27 98 SER 28 99 PHE 29 100 GLN 30 101 LYS 31 102 GLY 32 103 ASP 33 104 GLN 34 105 MET 35 106 VAL 36 107 VAL 37 108 LEU 38 109 GLU 39 110 GLU 40 111 SER 41 112 GLY 42 113 GLU 43 114 TRP 44 115 TRP 45 116 LYS 46 117 ALA 47 118 ARG 48 119 SER 49 120 LEU 50 121 ALA 51 122 THR 52 123 ARG 53 124 LYS 54 125 GLU 55 126 GLY 56 127 TYR 57 128 ILE 58 129 PRO 59 130 SER 60 131 ASN 61 132 TYR 62 133 VAL 63 134 ALA 64 135 ARG 65 136 VAL 66 137 ASP 67 138 SER 68 139 LEU 69 140 GLU 70 141 THR 71 142 GLU 72 143 GLU 73 144 TRP 74 145 PHE 75 146 PHE 76 147 LYS 77 148 GLY 78 149 ILE 79 150 SER 80 151 ARG 81 152 LYS 82 153 ASP 83 154 ALA 84 155 GLU 85 156 ARG 86 157 GLN 87 158 LEU 88 159 LEU 89 160 ALA 90 161 PRO 91 162 GLY 92 163 ASN 93 164 MET 94 165 LEU 95 166 GLY 96 167 SER 97 168 PHE 98 169 MET 99 170 ILE 100 171 ARG 101 172 ASP 102 173 SER 103 174 GLU 104 175 THR 105 176 THR 106 177 LYS 107 178 GLY 108 179 SER 109 180 TYR 110 181 SER 111 182 LEU 112 183 SER 113 184 VAL 114 185 ARG 115 186 ASP 116 187 TYR 117 188 ASP 118 189 PRO 119 190 ARG 120 191 GLN 121 192 GLY 122 193 ASP 123 194 THR 124 195 VAL 125 196 LYS 126 197 HIS 127 198 TYR 128 199 LYS 129 200 ILE 130 201 ARG 131 202 THR 132 203 LEU 133 204 ASP 134 205 ASN 135 206 GLY 136 207 GLY 137 208 PHE 138 209 TYR 139 210 ILE 140 211 SER 141 212 PRO 142 213 ARG 143 214 SER 144 215 THR 145 216 PHE 146 217 SER 147 218 THR 148 219 LEU 149 220 GLN 150 221 GLU 151 222 LEU 152 223 VAL 153 224 ASP 154 225 HIS 155 226 TYR 156 227 LYS 157 228 LYS 158 229 GLY 159 230 ASN 160 231 ASP 161 232 GLY 162 233 LEU 163 234 CYS 164 235 GLN 165 236 LYS 166 237 LEU 167 238 SER 168 239 VAL 169 240 PRO 170 241 CYS 171 242 MET 172 243 SER 173 244 SER 174 245 LYS 175 246 PRO 176 247 GLN 177 248 LYS 178 249 PRO 179 250 TRP 180 251 GLU 181 252 LYS 182 253 ASP 183 254 ALA 184 255 TRP 185 256 GLU 186 257 LEU 187 258 GLU 188 259 HIS 189 260 HIS 190 261 HIS 191 262 HIS 192 263 HIS 193 264 HIS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-30 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value BMRB 17740 Hck32L 100.00 193 100.00 100.00 4.33e-141 PDB 1AD5 "Src Family Kinase Hck-Amp-Pnp Complex" 92.75 438 99.44 100.00 1.10e-126 PDB 1QCF "Crystal Structure Of Hck In Complex With A Src Family- Selective Tyrosine Kinase Inhibitor" 91.71 454 99.44 100.00 6.98e-125 PDB 2C0I "Src Family Kinase Hck With Bound Inhibitor A-420983" 91.71 454 99.44 100.00 6.98e-125 PDB 2C0O "Src Family Kinase Hck With Bound Inhibitor A-770041" 91.71 454 99.44 100.00 6.98e-125 PDB 2C0T "Src Family Kinase Hck With Bound Inhibitor A-641359" 91.71 454 99.44 100.00 6.98e-125 PDB 2HCK "Src Family Kinase Hck-Quercetin Complex" 92.75 438 99.44 100.00 1.10e-126 PDB 3HCK "Nmr Ensemble Of The Uncomplexed Human Hck Sh2 Domain, 20 Structures" 55.44 107 99.07 100.00 8.05e-72 PDB 3NHN "Crystal Structure Of The Src-Family Kinase Hck Sh3-Sh2-Linker Regulatory Region" 100.00 193 100.00 100.00 4.33e-141 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 6.98e-125 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 6.98e-125 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 6.98e-125 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 6.98e-125 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 6.98e-125 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 6.98e-125 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 6.98e-125 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 6.98e-125 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 6.98e-125 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 6.98e-125 PDB 4LUD "Crystal Structure Of Hck In Complex With The Fluorescent Compound Skf86002" 91.71 454 99.44 100.00 6.98e-125 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 6.98e-125 DBJ BAB15482 "unnamed protein product [Homo sapiens]" 96.37 505 98.92 99.46 1.45e-129 DBJ BAF82585 "unnamed protein product [Homo sapiens]" 96.37 504 97.85 99.46 1.35e-127 DBJ BAF83617 "unnamed protein product [Homo sapiens]" 96.37 506 99.46 100.00 2.33e-131 DBJ BAG60878 "unnamed protein product [Homo sapiens]" 96.37 505 99.46 100.00 2.49e-131 EMBL CAC44031 "hck protein [Macaca fascicularis]" 96.37 504 97.31 98.92 4.40e-126 GB AAA52643 "protein-tyrosine kinase [Homo sapiens]" 96.37 505 99.46 100.00 1.96e-131 GB AAA52644 "protein-tyrosine kinase [Homo sapiens]" 96.37 505 99.46 100.00 2.49e-131 GB AAH14435 "Hemopoietic cell kinase [Homo sapiens]" 96.37 526 99.46 100.00 7.66e-131 GB AAH94847 "Hemopoietic cell kinase [Homo sapiens]" 96.37 526 99.46 100.00 7.66e-131 GB AAI08931 "Hemopoietic cell kinase [Homo sapiens]" 96.37 526 99.46 100.00 7.66e-131 REF NP_001165600 "tyrosine-protein kinase HCK isoform b [Homo sapiens]" 96.37 505 99.46 100.00 2.49e-131 REF NP_001165601 "tyrosine-protein kinase HCK isoform c [Homo sapiens]" 96.37 525 98.92 99.46 2.00e-128 REF NP_001165602 "tyrosine-protein kinase HCK isoform d [Homo sapiens]" 96.37 504 98.92 99.46 9.68e-129 REF NP_001165603 "tyrosine-protein kinase HCK isoform e [Homo sapiens]" 96.37 506 99.46 100.00 2.33e-131 REF NP_001165604 "tyrosine-protein kinase HCK isoform b [Homo sapiens]" 96.37 505 99.46 100.00 2.49e-131 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 7.66e-131 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 4.40e-126 stop_ save_ save_Nef _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Nef _Molecular_mass . _Mol_thiol_state 'all free' _Details . _Residue_count 217 _Mol_residue_sequence ; MEGKWSKRSVSGWPAVRERM RRAEPAAEGVGAVSRDLEKH GAITSSNTAATNAACAWLEA QEEEEVGFPVRPQVPLRPMT YKAAVDLSHFLKEKGGLEGL IYSQKRQDILDLWVYHTQGY FPDWQNYTPGPGIRYPLTFG WCFKLVPVEPEKVEEANEGE NNCLLHPMSQHGMDDPEKEV LVWKFDSKLAFHHMARELHP EYYKDCAAALEHHHHHH ; loop_ _Residue_seq_code _Residue_label 1 MET 2 GLU 3 GLY 4 LYS 5 TRP 6 SER 7 LYS 8 ARG 9 SER 10 VAL 11 SER 12 GLY 13 TRP 14 PRO 15 ALA 16 VAL 17 ARG 18 GLU 19 ARG 20 MET 21 ARG 22 ARG 23 ALA 24 GLU 25 PRO 26 ALA 27 ALA 28 GLU 29 GLY 30 VAL 31 GLY 32 ALA 33 VAL 34 SER 35 ARG 36 ASP 37 LEU 38 GLU 39 LYS 40 HIS 41 GLY 42 ALA 43 ILE 44 THR 45 SER 46 SER 47 ASN 48 THR 49 ALA 50 ALA 51 THR 52 ASN 53 ALA 54 ALA 55 CYS 56 ALA 57 TRP 58 LEU 59 GLU 60 ALA 61 GLN 62 GLU 63 GLU 64 GLU 65 GLU 66 VAL 67 GLY 68 PHE 69 PRO 70 VAL 71 ARG 72 PRO 73 GLN 74 VAL 75 PRO 76 LEU 77 ARG 78 PRO 79 MET 80 THR 81 TYR 82 LYS 83 ALA 84 ALA 85 VAL 86 ASP 87 LEU 88 SER 89 HIS 90 PHE 91 LEU 92 LYS 93 GLU 94 LYS 95 GLY 96 GLY 97 LEU 98 GLU 99 GLY 100 LEU 101 ILE 102 TYR 103 SER 104 GLN 105 LYS 106 ARG 107 GLN 108 ASP 109 ILE 110 LEU 111 ASP 112 LEU 113 TRP 114 VAL 115 TYR 116 HIS 117 THR 118 GLN 119 GLY 120 TYR 121 PHE 122 PRO 123 ASP 124 TRP 125 GLN 126 ASN 127 TYR 128 THR 129 PRO 130 GLY 131 PRO 132 GLY 133 ILE 134 ARG 135 TYR 136 PRO 137 LEU 138 THR 139 PHE 140 GLY 141 TRP 142 CYS 143 PHE 144 LYS 145 LEU 146 VAL 147 PRO 148 VAL 149 GLU 150 PRO 151 GLU 152 LYS 153 VAL 154 GLU 155 GLU 156 ALA 157 ASN 158 GLU 159 GLY 160 GLU 161 ASN 162 ASN 163 CYS 164 LEU 165 LEU 166 HIS 167 PRO 168 MET 169 SER 170 GLN 171 HIS 172 GLY 173 MET 174 ASP 175 ASP 176 PRO 177 GLU 178 LYS 179 GLU 180 VAL 181 LEU 182 VAL 183 TRP 184 LYS 185 PHE 186 ASP 187 SER 188 LYS 189 LEU 190 ALA 191 PHE 192 HIS 193 HIS 194 MET 195 ALA 196 ARG 197 GLU 198 LEU 199 HIS 200 PRO 201 GLU 202 TYR 203 TYR 204 LYS 205 ASP 206 CYS 207 ALA 208 ALA 209 ALA 210 LEU 211 GLU 212 HIS 213 HIS 214 HIS 215 HIS 216 HIS 217 HIS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-30 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value BMRB 17922 Nef 100.00 217 100.00 100.00 6.20e-160 GB AAA03700 "HIV-1 consensus Nef protein [Human immunodeficiency virus 1]" 94.93 206 99.51 99.51 2.08e-150 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _ICTVdb_decimal_code _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $Hck32L Human . 9606 Eukaryota Metazoa Homo sapiens $Nef HIV-1 00.061.1.06.009 11676 Viruses . Lentivirus . stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Variant _Vector_name $Hck32L 'recombinant technology' . Escherichia coli BL21 Rosetta2(DE3) pET21 $Nef 'recombinant technology' . Escherichia coli BL21 Rosetta2(DE3) pET21 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Hck32L 0.5 mM '[U-13C; U-15N; U-2H]' H2O 95 % 'natural abundance' D2O 5 % 'natural abundance' DTT 10 mM 'natural abundance' HEPES 10 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' 'sodium azide' 0.02 w/v 'natural abundance' $Nef 0.6 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version 2.1 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ save_CARA _Saveframe_category software _Name CARA _Version 1.8.4 loop_ _Vendor _Address _Electronic_address 'Rochus Keller' . http://www.nmr.ch stop_ loop_ _Task 'chemical shift assignment' 'data analysis' 'peak picking' stop_ _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. ; save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_HNCACB_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HNCA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.1 . M pH 8.0 . pH pressure 1 . atm temperature 300 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 external indirect cylindrical 'separate tube (no insert) not similar to the experimental sample tube' parallel 0.251449530 DSS H 1 'methyl protons' ppm 0.00 external direct cylindrical 'separate tube (no insert) not similar to the experimental sample tube' parallel 1.000000000 DSS N 15 'methyl protons' ppm 0.00 external indirect cylindrical 'separate tube (no insert) not similar to the experimental sample tube' parallel 0.101329118 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 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCACB' '3D HNCA' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name Hck32L _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 74 3 ARG H H 8.39 0.02 1 2 74 3 ARG CA C 55.8 0.3 1 3 74 3 ARG CB C 29.5 0.3 1 4 74 3 ARG N N 124.6 0.3 1 5 75 4 GLU H H 8.42 0.02 1 6 75 4 GLU CA C 55.7 0.3 1 7 75 4 GLU CB C 29.2 0.3 1 8 75 4 GLU N N 122.9 0.3 1 9 76 5 ALA H H 8.35 0.02 1 10 76 5 ALA CA C 52.4 0.3 1 11 76 5 ALA CB C 17.9 0.3 1 12 76 5 ALA N N 125.8 0.3 1 13 78 7 SER H H 8.01 0.02 1 14 78 7 SER CA C 57.9 0.3 1 15 78 7 SER CB C 63.0 0.3 1 16 78 7 SER N N 115.8 0.3 1 17 79 8 GLU H H 8.45 0.02 1 18 79 8 GLU CA C 55.6 0.3 1 19 79 8 GLU CB C 29.0 0.3 1 20 79 8 GLU N N 122.7 0.3 1 21 80 9 ASP H H 8.12 0.02 1 22 80 9 ASP CA C 54.2 0.3 1 23 80 9 ASP CB C 40.8 0.3 1 24 80 9 ASP N N 121.4 0.3 1 25 81 10 ILE H H 8.76 0.02 1 26 81 10 ILE CA C 60.4 0.3 1 27 81 10 ILE CB C 36.7 0.3 1 28 81 10 ILE N N 124.2 0.3 1 29 82 11 ILE H H 8.10 0.02 1 30 82 11 ILE CA C 58.5 0.3 1 31 82 11 ILE CB C 36.8 0.3 1 32 82 11 ILE N N 127.8 0.3 1 33 84 13 VAL H H 9.10 0.02 1 34 84 13 VAL CA C 57.4 0.3 1 35 84 13 VAL CB C 34.0 0.3 1 36 84 13 VAL N N 118.9 0.3 1 37 85 14 ALA H H 8.39 0.02 1 38 85 14 ALA CA C 51.9 0.3 1 39 85 14 ALA CB C 20.5 0.3 1 40 85 14 ALA N N 126.8 0.3 1 41 86 15 LEU H H 9.40 0.02 1 42 86 15 LEU CA C 55.0 0.3 1 43 86 15 LEU N N 125.9 0.3 1 44 87 16 TYR H H 7.17 0.02 1 45 87 16 TYR CA C 53.8 0.3 1 46 87 16 TYR N N 113.0 0.3 1 47 88 17 ASP H H 8.13 0.02 1 48 88 17 ASP CA C 53.6 0.3 1 49 88 17 ASP CB C 42.2 0.3 1 50 88 17 ASP N N 117.6 0.3 1 51 89 18 TYR H H 8.39 0.02 1 52 89 18 TYR CA C 58.1 0.3 1 53 89 18 TYR N N 119.9 0.3 1 54 90 19 GLU H H 7.50 0.02 1 55 90 19 GLU CA C 53.4 0.3 1 56 90 19 GLU N N 129.2 0.3 1 57 91 20 ALA H H 8.34 0.02 1 58 91 20 ALA CA C 52.5 0.3 1 59 91 20 ALA CB C 17.9 0.3 1 60 91 20 ALA N N 125.8 0.3 1 61 97 26 LEU H H 8.96 0.02 1 62 97 26 LEU CA C 53.3 0.3 1 63 97 26 LEU CB C 43.7 0.3 1 64 97 26 LEU N N 124.9 0.3 1 65 98 27 SER H H 7.84 0.02 1 66 98 27 SER CA C 58.1 0.3 1 67 98 27 SER CB C 63.7 0.3 1 68 98 27 SER N N 118.5 0.3 1 69 99 28 PHE H H 8.71 0.02 1 70 99 28 PHE CA C 56.0 0.3 1 71 99 28 PHE CB C 39.4 0.3 1 72 99 28 PHE N N 117.2 0.3 1 73 100 29 GLN H H 8.92 0.02 1 74 100 29 GLN CA C 52.8 0.3 1 75 100 29 GLN CB C 31.8 0.3 1 76 100 29 GLN N N 120.1 0.3 1 77 102 31 GLY CA C 44.4 0.3 1 78 103 32 ASP H H 8.60 0.02 1 79 103 32 ASP CA C 55.1 0.3 1 80 103 32 ASP N N 123.3 0.3 1 81 104 33 GLN H H 8.40 0.02 1 82 104 33 GLN CA C 54.0 0.3 1 83 104 33 GLN CB C 29.8 0.3 1 84 104 33 GLN N N 118.8 0.3 1 85 105 34 MET H H 9.12 0.02 1 86 105 34 MET CA C 53.7 0.3 1 87 105 34 MET N N 121.4 0.3 1 88 106 35 VAL H H 8.85 0.02 1 89 106 35 VAL CA C 59.1 0.3 1 90 106 35 VAL N N 120.0 0.3 1 91 107 36 VAL H H 8.71 0.02 1 92 107 36 VAL CA C 63.5 0.3 1 93 107 36 VAL CB C 30.4 0.3 1 94 107 36 VAL N N 127.2 0.3 1 95 108 37 LEU H H 9.13 0.02 1 96 108 37 LEU N N 128.9 0.3 1 97 109 38 GLU H H 7.53 0.02 1 98 109 38 GLU CA C 56.0 0.3 1 99 109 38 GLU N N 117.9 0.3 1 100 110 39 GLU H H 8.60 0.02 1 101 110 39 GLU CA C 53.6 0.3 1 102 110 39 GLU N N 126.4 0.3 1 103 111 40 SER H H 7.94 0.02 1 104 111 40 SER CA C 56.9 0.3 1 105 111 40 SER CB C 62.5 0.3 1 106 111 40 SER N N 117.8 0.3 1 107 112 41 GLY H H 8.44 0.02 1 108 112 41 GLY CA C 44.7 0.3 1 109 112 41 GLY N N 112.5 0.3 1 110 116 45 LYS H H 8.71 0.02 1 111 116 45 LYS CA C 55.5 0.3 1 112 116 45 LYS CB C 32.5 0.3 1 113 116 45 LYS N N 122.8 0.3 1 114 117 46 ALA H H 9.27 0.02 1 115 117 46 ALA CA C 50.1 0.3 1 116 117 46 ALA N N 130.9 0.3 1 117 118 47 ARG H H 8.83 0.02 1 118 118 47 ARG CA C 52.9 0.3 1 119 118 47 ARG N N 118.0 0.3 1 120 119 48 SER H H 8.97 0.02 1 121 119 48 SER CA C 57.5 0.3 1 122 119 48 SER CB C 62.6 0.3 1 123 119 48 SER N N 119.8 0.3 1 124 120 49 LEU H H 8.76 0.02 1 125 120 49 LEU CA C 56.5 0.3 1 126 120 49 LEU N N 130.9 0.3 1 127 124 53 LYS H H 7.51 0.02 1 128 124 53 LYS CA C 55.9 0.3 1 129 124 53 LYS N N 120.2 0.3 1 130 125 54 GLU H H 8.41 0.02 1 131 125 54 GLU CA C 53.3 0.3 1 132 125 54 GLU CB C 32.3 0.3 1 133 125 54 GLU N N 118.8 0.3 1 134 126 55 GLY H H 8.76 0.02 1 135 126 55 GLY CA C 44.8 0.3 1 136 126 55 GLY N N 107.8 0.3 1 137 127 56 TYR H H 9.22 0.02 1 138 127 56 TYR CA C 59.0 0.3 1 139 127 56 TYR CB C 38.7 0.3 1 140 127 56 TYR N N 120.1 0.3 1 141 128 57 ILE H H 9.41 0.02 1 142 128 57 ILE CA C 56.5 0.3 1 143 128 57 ILE N N 111.4 0.3 1 144 133 62 VAL H H 7.00 0.02 1 145 133 62 VAL CA C 58.0 0.3 1 146 133 62 VAL N N 109.5 0.3 1 147 134 63 ALA H H 8.43 0.02 1 148 134 63 ALA CA C 49.7 0.3 1 149 134 63 ALA N N 121.0 0.3 1 150 135 64 ARG H H 8.77 0.02 1 151 135 64 ARG CA C 56.5 0.3 1 152 135 64 ARG CB C 29.3 0.3 1 153 135 64 ARG N N 121.2 0.3 1 154 136 65 VAL H H 8.18 0.02 1 155 136 65 VAL CA C 62.3 0.3 1 156 136 65 VAL N N 122.8 0.3 1 157 137 66 ASP H H 8.47 0.02 1 158 137 66 ASP CA C 53.8 0.3 1 159 137 66 ASP CB C 40.2 0.3 1 160 137 66 ASP N N 123.1 0.3 1 161 140 69 GLU H H 7.96 0.02 1 162 140 69 GLU CA C 57.6 0.3 1 163 140 69 GLU CB C 28.2 0.3 1 164 140 69 GLU N N 114.8 0.3 1 165 141 70 THR H H 7.45 0.02 1 166 141 70 THR CA C 61.1 0.3 1 167 141 70 THR CB C 68.5 0.3 1 168 141 70 THR N N 108.8 0.3 1 169 142 71 GLU H H 7.56 0.02 1 170 142 71 GLU CA C 55.0 0.3 1 171 142 71 GLU CB C 26.9 0.3 1 172 142 71 GLU N N 122.6 0.3 1 173 143 72 GLU H H 8.92 0.02 1 174 143 72 GLU CA C 57.9 0.3 1 175 143 72 GLU N N 122.4 0.3 1 176 144 73 TRP H H 6.17 0.02 1 177 144 73 TRP CA C 52.8 0.3 1 178 144 73 TRP CB C 30.4 0.3 1 179 144 73 TRP N N 109.0 0.3 1 180 145 74 PHE H H 7.38 0.02 1 181 145 74 PHE CA C 57.1 0.3 1 182 145 74 PHE CB C 38.9 0.3 1 183 145 74 PHE N N 123.8 0.3 1 184 146 75 PHE H H 8.58 0.02 1 185 146 75 PHE CA C 55.5 0.3 1 186 146 75 PHE CB C 39.0 0.3 1 187 146 75 PHE N N 131.3 0.3 1 188 147 76 LYS H H 7.94 0.02 1 189 147 76 LYS CA C 55.6 0.3 1 190 147 76 LYS CB C 32.3 0.3 1 191 147 76 LYS N N 123.0 0.3 1 192 148 77 GLY H H 9.31 0.02 1 193 148 77 GLY CA C 46.2 0.3 1 194 148 77 GLY N N 114.6 0.3 1 195 149 78 ILE H H 7.15 0.02 1 196 149 78 ILE CA C 58.9 0.3 1 197 149 78 ILE CB C 38.3 0.3 1 198 149 78 ILE N N 118.1 0.3 1 199 150 79 SER H H 8.90 0.02 1 200 150 79 SER CA C 56.5 0.3 1 201 150 79 SER CB C 65.0 0.3 1 202 150 79 SER N N 123.1 0.3 1 203 151 80 ARG H H 8.75 0.02 1 204 151 80 ARG CA C 59.8 0.3 1 205 151 80 ARG CB C 28.9 0.3 1 206 151 80 ARG N N 122.7 0.3 1 207 152 81 LYS H H 8.22 0.02 1 208 152 81 LYS CA C 58.5 0.3 1 209 152 81 LYS CB C 30.7 0.3 1 210 152 81 LYS N N 117.2 0.3 1 211 153 82 ASP CA C 56.7 0.3 1 212 154 83 ALA H H 8.48 0.02 1 213 154 83 ALA CA C 54.7 0.3 1 214 154 83 ALA CB C 17.8 0.3 1 215 154 83 ALA N N 124.0 0.3 1 216 155 84 GLU H H 7.73 0.02 1 217 155 84 GLU CA C 59.3 0.3 1 218 155 84 GLU CB C 27.4 0.3 1 219 155 84 GLU N N 115.1 0.3 1 220 156 85 ARG H H 7.58 0.02 1 221 156 85 ARG CA C 58.7 0.3 1 222 156 85 ARG CB C 28.7 0.3 1 223 156 85 ARG N N 117.1 0.3 1 224 157 86 GLN H H 8.26 0.02 1 225 157 86 GLN CA C 58.6 0.3 1 226 157 86 GLN CB C 27.6 0.3 1 227 157 86 GLN N N 117.1 0.3 1 228 159 88 LEU H H 7.66 0.02 1 229 159 88 LEU CA C 54.7 0.3 1 230 159 88 LEU CB C 39.4 0.3 1 231 159 88 LEU N N 117.1 0.3 1 232 160 89 ALA H H 6.96 0.02 1 233 160 89 ALA CA C 50.7 0.3 1 234 160 89 ALA CB C 16.1 0.3 1 235 160 89 ALA N N 124.7 0.3 1 236 163 92 ASN H H 7.02 0.02 1 237 163 92 ASN CA C 52.7 0.3 1 238 163 92 ASN CB C 40.5 0.3 1 239 163 92 ASN N N 116.5 0.3 1 240 164 93 MET H H 9.00 0.02 1 241 164 93 MET CA C 54.0 0.3 1 242 164 93 MET CB C 35.0 0.3 1 243 164 93 MET N N 117.4 0.3 1 244 165 94 LEU H H 8.26 0.02 1 245 165 94 LEU CA C 56.6 0.3 1 246 165 94 LEU CB C 40.2 0.3 1 247 165 94 LEU N N 121.6 0.3 1 248 166 95 GLY H H 8.88 0.02 1 249 166 95 GLY CA C 45.7 0.3 1 250 166 95 GLY N N 115.6 0.3 1 251 167 96 SER H H 8.48 0.02 1 252 167 96 SER CA C 60.8 0.3 1 253 167 96 SER CB C 62.5 0.3 1 254 167 96 SER N N 120.9 0.3 1 255 168 97 PHE H H 7.55 0.02 1 256 168 97 PHE CA C 55.4 0.3 1 257 168 97 PHE CB C 43.0 0.3 1 258 168 97 PHE N N 115.2 0.3 1 259 169 98 MET H H 8.73 0.02 1 260 169 98 MET CA C 54.5 0.3 1 261 169 98 MET CB C 37.2 0.3 1 262 169 98 MET N N 114.3 0.3 1 263 170 99 ILE H H 9.38 0.02 1 264 170 99 ILE CA C 60.0 0.3 1 265 170 99 ILE CB C 37.1 0.3 1 266 170 99 ILE N N 122.1 0.3 1 267 171 100 ARG H H 8.93 0.02 1 268 171 100 ARG CA C 52.3 0.3 1 269 171 100 ARG CB C 32.5 0.3 1 270 171 100 ARG N N 122.7 0.3 1 271 172 101 ASP H H 8.62 0.02 1 272 172 101 ASP CA C 54.3 0.3 1 273 172 101 ASP CB C 40.6 0.3 1 274 172 101 ASP N N 120.7 0.3 1 275 173 102 SER H H 7.99 0.02 1 276 173 102 SER CA C 57.1 0.3 1 277 173 102 SER CB C 62.8 0.3 1 278 173 102 SER N N 115.7 0.3 1 279 174 103 GLU H H 8.09 0.02 1 280 174 103 GLU CA C 53.4 0.3 1 281 174 103 GLU CB C 32.1 0.3 1 282 174 103 GLU N N 122.7 0.3 1 283 179 108 SER H H 7.59 0.02 1 284 179 108 SER CA C 56.6 0.3 1 285 179 108 SER CB C 63.8 0.3 1 286 179 108 SER N N 114.7 0.3 1 287 180 109 TYR H H 8.78 0.02 1 288 180 109 TYR CA C 57.0 0.3 1 289 180 109 TYR CB C 41.7 0.3 1 290 180 109 TYR N N 121.8 0.3 1 291 181 110 SER H H 9.20 0.02 1 292 181 110 SER CA C 57.2 0.3 1 293 181 110 SER CB C 65.3 0.3 1 294 181 110 SER N N 116.4 0.3 1 295 182 111 LEU H H 9.35 0.02 1 296 182 111 LEU CA C 52.8 0.3 1 297 182 111 LEU CB C 43.6 0.3 1 298 182 111 LEU N N 127.3 0.3 1 299 183 112 SER H H 9.13 0.02 1 300 183 112 SER CA C 57.9 0.3 1 301 183 112 SER CB C 64.4 0.3 1 302 183 112 SER N N 125.0 0.3 1 303 184 113 VAL H H 8.99 0.02 1 304 184 113 VAL CA C 59.7 0.3 1 305 184 113 VAL CB C 35.5 0.3 1 306 184 113 VAL N N 123.1 0.3 1 307 185 114 ARG H H 8.94 0.02 1 308 185 114 ARG CA C 56.5 0.3 1 309 185 114 ARG CB C 29.8 0.3 1 310 185 114 ARG N N 128.0 0.3 1 311 186 115 ASP H H 9.16 0.02 1 312 186 115 ASP CA C 51.5 0.3 1 313 186 115 ASP N N 130.4 0.3 1 314 187 116 TYR H H 8.53 0.02 1 315 187 116 TYR CA C 58.3 0.3 1 316 187 116 TYR CB C 40.9 0.3 1 317 187 116 TYR N N 123.1 0.3 1 318 188 117 ASP H H 7.52 0.02 1 319 188 117 ASP CA C 50.1 0.3 1 320 188 117 ASP CB C 43.7 0.3 1 321 188 117 ASP N N 128.6 0.3 1 322 190 119 ARG H H 8.14 0.02 1 323 190 119 ARG CA C 56.8 0.3 1 324 190 119 ARG CB C 29.3 0.3 1 325 190 119 ARG N N 116.2 0.3 1 326 191 120 GLN H H 8.31 0.02 1 327 191 120 GLN CA C 55.7 0.3 1 328 191 120 GLN CB C 30.0 0.3 1 329 191 120 GLN N N 116.8 0.3 1 330 192 121 GLY H H 8.42 0.02 1 331 192 121 GLY CA C 43.9 0.3 1 332 192 121 GLY N N 110.2 0.3 1 333 193 122 ASP H H 8.28 0.02 1 334 193 122 ASP CA C 55.2 0.3 1 335 193 122 ASP CB C 41.1 0.3 1 336 193 122 ASP N N 123.9 0.3 1 337 194 123 THR H H 8.09 0.02 1 338 194 123 THR CA C 59.5 0.3 1 339 194 123 THR CB C 70.9 0.3 1 340 194 123 THR N N 115.6 0.3 1 341 195 124 VAL H H 8.17 0.02 1 342 195 124 VAL CA C 60.1 0.3 1 343 195 124 VAL CB C 34.0 0.3 1 344 195 124 VAL N N 120.7 0.3 1 345 196 125 LYS H H 8.59 0.02 1 346 196 125 LYS CA C 52.9 0.3 1 347 196 125 LYS CB C 34.3 0.3 1 348 196 125 LYS N N 127.0 0.3 1 349 197 126 HIS H H 8.11 0.02 1 350 197 126 HIS CA C 53.6 0.3 1 351 197 126 HIS CB C 32.5 0.3 1 352 197 126 HIS N N 119.3 0.3 1 353 198 127 TYR H H 9.75 0.02 1 354 198 127 TYR CA C 56.2 0.3 1 355 198 127 TYR CB C 40.3 0.3 1 356 198 127 TYR N N 122.0 0.3 1 357 199 128 LYS H H 8.88 0.02 1 358 199 128 LYS CA C 56.1 0.3 1 359 199 128 LYS CB C 31.3 0.3 1 360 199 128 LYS N N 125.4 0.3 1 361 200 129 ILE H H 8.54 0.02 1 362 200 129 ILE CA C 60.4 0.3 1 363 200 129 ILE CB C 36.4 0.3 1 364 200 129 ILE N N 126.6 0.3 1 365 201 130 ARG H H 8.74 0.02 1 366 201 130 ARG CA C 54.1 0.3 1 367 201 130 ARG CB C 30.1 0.3 1 368 201 130 ARG N N 129.7 0.3 1 369 202 131 THR H H 7.98 0.02 1 370 202 131 THR CA C 58.9 0.3 1 371 202 131 THR CB C 70.3 0.3 1 372 202 131 THR N N 109.9 0.3 1 373 203 132 LEU H H 8.11 0.02 1 374 203 132 LEU CA C 53.1 0.3 1 375 203 132 LEU CB C 42.0 0.3 1 376 203 132 LEU N N 124.7 0.3 1 377 206 135 GLY H H 7.63 0.02 1 378 206 135 GLY CA C 44.3 0.3 1 379 206 135 GLY N N 108.8 0.3 1 380 207 136 GLY H H 7.72 0.02 1 381 207 136 GLY CA C 44.1 0.3 1 382 207 136 GLY N N 110.1 0.3 1 383 208 137 PHE H H 9.10 0.02 1 384 208 137 PHE CA C 56.6 0.3 1 385 208 137 PHE CB C 43.0 0.3 1 386 208 137 PHE N N 117.9 0.3 1 387 209 138 TYR H H 8.89 0.02 1 388 209 138 TYR CA C 57.7 0.3 1 389 209 138 TYR CB C 39.9 0.3 1 390 209 138 TYR N N 115.4 0.3 1 391 210 139 ILE H H 9.70 0.02 1 392 210 139 ILE CA C 62.8 0.3 1 393 210 139 ILE N N 120.2 0.3 1 394 213 142 ARG H H 7.44 0.02 1 395 213 142 ARG CA C 56.7 0.3 1 396 213 142 ARG N N 114.8 0.3 1 397 214 143 SER H H 7.65 0.02 1 398 214 143 SER CA C 56.3 0.3 1 399 214 143 SER CB C 63.6 0.3 1 400 214 143 SER N N 116.9 0.3 1 401 215 144 THR H H 7.58 0.02 1 402 215 144 THR CA C 58.9 0.3 1 403 215 144 THR CB C 69.9 0.3 1 404 215 144 THR N N 114.5 0.3 1 405 216 145 PHE H H 8.98 0.02 1 406 216 145 PHE CA C 56.1 0.3 1 407 216 145 PHE CB C 43.1 0.3 1 408 216 145 PHE N N 119.0 0.3 1 409 217 146 SER H H 9.39 0.02 1 410 217 146 SER CA C 60.9 0.3 1 411 217 146 SER CB C 62.7 0.3 1 412 217 146 SER N N 118.3 0.3 1 413 218 147 THR H H 7.40 0.02 1 414 218 147 THR CA C 58.6 0.3 1 415 218 147 THR CB C 72.6 0.3 1 416 218 147 THR N N 106.9 0.3 1 417 219 148 LEU H H 8.91 0.02 1 418 219 148 LEU CA C 56.2 0.3 1 419 219 148 LEU CB C 40.3 0.3 1 420 219 148 LEU N N 122.2 0.3 1 421 220 149 GLN H H 8.78 0.02 1 422 220 149 GLN CA C 59.5 0.3 1 423 220 149 GLN CB C 26.6 0.3 1 424 220 149 GLN N N 118.6 0.3 1 425 221 150 GLU H H 7.72 0.02 1 426 221 150 GLU CA C 58.3 0.3 1 427 221 150 GLU CB C 29.5 0.3 1 428 221 150 GLU N N 118.8 0.3 1 429 222 151 LEU H H 6.85 0.02 1 430 222 151 LEU CA C 58.4 0.3 1 431 222 151 LEU CB C 40.1 0.3 1 432 222 151 LEU N N 123.5 0.3 1 433 223 152 VAL H H 7.77 0.02 1 434 223 152 VAL CA C 66.2 0.3 1 435 223 152 VAL CB C 30.0 0.3 1 436 223 152 VAL N N 120.4 0.3 1 437 224 153 ASP H H 7.78 0.02 1 438 224 153 ASP CA C 56.9 0.3 1 439 224 153 ASP CB C 39.9 0.3 1 440 224 153 ASP N N 116.9 0.3 1 441 225 154 HIS H H 7.59 0.02 1 442 225 154 HIS CA C 59.8 0.3 1 443 225 154 HIS N N 118.8 0.3 1 444 226 155 TYR H H 7.47 0.02 1 445 226 155 TYR CA C 60.5 0.3 1 446 226 155 TYR N N 117.2 0.3 1 447 227 156 LYS H H 7.60 0.02 1 448 227 156 LYS CA C 57.2 0.3 1 449 227 156 LYS CB C 32.9 0.3 1 450 227 156 LYS N N 119.2 0.3 1 451 228 157 LYS H H 7.28 0.02 1 452 228 157 LYS CA C 57.1 0.3 1 453 228 157 LYS CB C 31.7 0.3 1 454 228 157 LYS N N 117.8 0.3 1 455 229 158 GLY H H 7.02 0.02 1 456 229 158 GLY CA C 44.4 0.3 1 457 229 158 GLY N N 106.0 0.3 1 458 231 160 ASP H H 8.51 0.02 1 459 231 160 ASP CA C 53.9 0.3 1 460 231 160 ASP CB C 39.9 0.3 1 461 231 160 ASP N N 118.6 0.3 1 462 232 161 GLY H H 7.93 0.02 1 463 232 161 GLY CA C 44.7 0.3 1 464 232 161 GLY N N 105.9 0.3 1 465 233 162 LEU H H 8.26 0.02 1 466 233 162 LEU CA C 53.6 0.3 1 467 233 162 LEU CB C 41.1 0.3 1 468 233 162 LEU N N 120.4 0.3 1 469 235 164 GLN H H 6.85 0.02 1 470 235 164 GLN CB C 32.4 0.3 1 471 235 164 GLN N N 117.7 0.3 1 472 236 165 LYS H H 7.88 0.02 1 473 236 165 LYS CA C 55.7 0.3 1 474 236 165 LYS CB C 31.3 0.3 1 475 236 165 LYS N N 119.4 0.3 1 476 237 166 LEU H H 7.65 0.02 1 477 237 166 LEU CA C 54.2 0.3 1 478 237 166 LEU CB C 38.2 0.3 1 479 237 166 LEU N N 124.9 0.3 1 480 238 167 SER H H 8.38 0.02 1 481 238 167 SER CA C 56.0 0.3 1 482 238 167 SER CB C 63.4 0.3 1 483 238 167 SER N N 117.0 0.3 1 484 239 168 VAL H H 8.04 0.02 1 485 239 168 VAL CA C 57.3 0.3 1 486 239 168 VAL CB C 32.9 0.3 1 487 239 168 VAL N N 117.9 0.3 1 488 241 170 CYS H H 8.46 0.02 1 489 241 170 CYS CA C 59.2 0.3 1 490 241 170 CYS CB C 27.0 0.3 1 491 241 170 CYS N N 123.8 0.3 1 492 242 171 MET H H 8.63 0.02 1 493 242 171 MET CA C 56.0 0.3 1 494 242 171 MET CB C 31.9 0.3 1 495 242 171 MET N N 128.7 0.3 1 496 243 172 SER H H 8.51 0.02 1 497 243 172 SER CA C 57.6 0.3 1 498 243 172 SER CB C 63.3 0.3 1 499 243 172 SER N N 118.7 0.3 1 500 245 174 LYS H H 8.26 0.02 1 501 245 174 LYS CA C 53.8 0.3 1 502 245 174 LYS CB C 31.1 0.3 1 503 245 174 LYS N N 124.5 0.3 1 504 247 176 GLN H H 8.35 0.02 1 505 247 176 GLN CA C 55.1 0.3 1 506 247 176 GLN CB C 28.7 0.3 1 507 247 176 GLN N N 121.2 0.3 1 508 248 177 LYS H H 8.32 0.02 1 509 248 177 LYS CA C 53.2 0.3 1 510 248 177 LYS CB C 30.4 0.3 1 511 248 177 LYS N N 123.3 0.3 1 512 250 179 TRP H H 7.38 0.02 1 513 250 179 TRP CA C 56.9 0.3 1 514 250 179 TRP CB C 27.6 0.3 1 515 250 179 TRP N N 117.6 0.3 1 516 251 180 GLU H H 7.66 0.02 1 517 251 180 GLU CA C 55.9 0.3 1 518 251 180 GLU CB C 29.3 0.3 1 519 251 180 GLU N N 123.0 0.3 1 520 252 181 LYS H H 7.79 0.02 1 521 252 181 LYS CA C 56.2 0.3 1 522 252 181 LYS CB C 31.7 0.3 1 523 252 181 LYS N N 121.6 0.3 1 524 253 182 ASP H H 8.25 0.02 1 525 253 182 ASP CA C 54.3 0.3 1 526 253 182 ASP CB C 40.1 0.3 1 527 253 182 ASP N N 121.0 0.3 1 528 254 183 ALA H H 7.99 0.02 1 529 254 183 ALA CA C 52.8 0.3 1 530 254 183 ALA CB C 17.7 0.3 1 531 254 183 ALA N N 123.5 0.3 1 532 255 184 TRP H H 7.90 0.02 1 533 255 184 TRP CA C 57.5 0.3 1 534 255 184 TRP CB C 28.2 0.3 1 535 255 184 TRP N N 119.3 0.3 1 536 256 185 GLU H H 8.01 0.02 1 537 256 185 GLU CA C 56.7 0.3 1 538 256 185 GLU CB C 28.7 0.3 1 539 256 185 GLU N N 121.3 0.3 1 540 257 186 LEU H H 7.81 0.02 1 541 257 186 LEU CA C 55.1 0.3 1 542 257 186 LEU CB C 40.9 0.3 1 543 257 186 LEU N N 121.5 0.3 1 544 258 187 GLU H H 8.00 0.02 1 545 258 187 GLU CA C 56.3 0.3 1 546 258 187 GLU CB C 29.0 0.3 1 547 258 187 GLU N N 120.2 0.3 1 548 264 193 HIS H H 7.78 0.02 1 549 264 193 HIS CA C 57.1 0.3 1 550 264 193 HIS CB C 30.1 0.3 1 551 264 193 HIS N N 126.1 0.3 1 stop_ save_