data_4874 #Corrected using PDB structure: 2F05A # #N.B. (Observed* = Observed shift + Offset correction) # #After reference correction, the following residues still #have a CB chemical shift difference (obs*-pred) greater than 5.0ppm: #NUM AA CS Observed* Predicted # 62 V CB 40.04 31.36 # 84 K CB 39.10 32.45 # #The average CS difference between predicted and observed: #HA CA CB CO N HN #N/A -0.04 -0.27 0.02 0.16 -0.09 # #bmr4874.str.corr chemical shifts have been re-referenced with the following #offsets (these values have been added to the original bmr4874.str file): #HA CA CB CO N HN #N/A -0.15 -0.15 +0.02 +0.16 N/A # #The 95% confidence intervals for the above recommended offsets are: # HA CA CB CO N HN # N/A +/-0.19 +/-0.21 +/-0.16 +/-0.35 +/-0.07 # #The Correlation Coefficients between predicted and observed #chemical shifts are: #HA CA CB CO N HN #N/A 0.957 0.989 0.766 0.774 0.312 # #The RMSD between predicted and observed* (reference #corrected) chemical shifts are: #HA CA CB CO N HN #N/A 0.865 0.889 0.729 1.567 0.319 # ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Sequence-specific assignment of the PAH2 domain of Sin3B free and complexed to Mad1 ; loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Spronk Christian A.E.M. . 2 Jansen Jacobus F.A. . 3 Tessari Marco . . 4 Kaan Anita M. . 5 Aelen Jan . . 6 Vermeulen Michiel . . 7 Stunnenberg Hendrik G. . 8 Vuister Geerten W. . stop_ _BMRB_accession_number 4874 _BMRB_flat_file_name bmr4874.str _Entry_type new _Submission_date 2000-10-23 _Accession_date 2000-10-23 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count '1H chemical shifts' 102 '15N chemical shifts' 102 '13C chemical shifts' 296 stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_title ; Letter to the editor: Sequence-specific assignment of the PAH2 domain of Sin3B free and bound to Mad1 ; _Citation_status published _Citation_type journal _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Spronk Christian A.E.M. . 2 Jansen Jacobus F.A. . 3 Tessari Marco . . 4 Kaan Anita M. . 5 Aelen Jan . . 6 Lasonder Edwin . . 7 Stunnenberg Hendrik G. . 8 Vuister Geerten W. . stop_ _Journal_abbreviation "J. Biomol. NMR" _Journal_volume 19 _Journal_issue 4 _Page_first 377 _Page_last 378 _Year 2001 loop_ _Keyword 'Sin3' 'Mad1' 'transcriptional regulator' 'protein-peptide complex' stop_ save_ ################################## # Molecular system description # ################################## save_system_mSin3B-PAH2 _Saveframe_category molecular_system _Mol_system_name "mSin3B-PAH2 free state" _Abbreviation_common mSin3B-PAH2 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label PAH2 $mSin3B-PAH2 stop_ _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state "not present" loop_ _Biological_function "transcriptional regulator" stop_ save_ ######################## # Monomeric polymers # ######################## save_mSin3B-PAH2 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common "mSin3B-PAH2 domain" _Name_variant . _Abbreviation_common mSin3B-PAH2 _Mol_thiol_state "not present" ############################## # Polymer residue sequence # ############################## _Residue_count 105 _Mol_residue_sequence ; ESDSVEFNNAISYVNKIKTR FLDHPEIYRSFLEILHTYQK EQLHTKGRPFRGMSEEEVFT EVANLFRGQEDLLSEFGQFL PEAKRSLFTGNGSAEMNSGQ KNEEK ; loop_ _Residue_seq_code _Residue_label 1 GLU 2 SER 3 ASP 4 SER 5 VAL 6 GLU 7 PHE 8 ASN 9 ASN 10 ALA 11 ILE 12 SER 13 TYR 14 VAL 15 ASN 16 LYS 17 ILE 18 LYS 19 THR 20 ARG 21 PHE 22 LEU 23 ASP 24 HIS 25 PRO 26 GLU 27 ILE 28 TYR 29 ARG 30 SER 31 PHE 32 LEU 33 GLU 34 ILE 35 LEU 36 HIS 37 THR 38 TYR 39 GLN 40 LYS 41 GLU 42 GLN 43 LEU 44 HIS 45 THR 46 LYS 47 GLY 48 ARG 49 PRO 50 PHE 51 ARG 52 GLY 53 MET 54 SER 55 GLU 56 GLU 57 GLU 58 VAL 59 PHE 60 THR 61 GLU 62 VAL 63 ALA 64 ASN 65 LEU 66 PHE 67 ARG 68 GLY 69 GLN 70 GLU 71 ASP 72 LEU 73 LEU 74 SER 75 GLU 76 PHE 77 GLY 78 GLN 79 PHE 80 LEU 81 PRO 82 GLU 83 ALA 84 LYS 85 ARG 86 SER 87 LEU 88 PHE 89 THR 90 GLY 91 ASN 92 GLY 93 SER 94 ALA 95 GLU 96 MET 97 ASN 98 SER 99 GLY 100 GLN 101 LYS 102 ASN 103 GLU 104 GLU 105 LYS stop_ _Sequence_homology_query_date 2004-07-29 _Sequence_homology_query_revised_last_date 2004-07-16 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 PDB 1E91 "A Chain A, Structure Of The Complex Of TheMad1-Sin3b Interaction Domains" 123.53 85 100 100 2e-42 PDB 1PD7 "A Chain A, Extended Sid Of Mad1 Bound To ThePah2 Domain Of Msin3b" 123.53 85 100 100 5e-43 GenBank AAH51536.1 "Similar to transcriptional regulator,SIN3B (yeast) [Mus musculus]" 55.26 190 99 99 2e-54 GenBank AAH20049.1 "Sin3b protein [Mus musculus]" 35.84 293 99 99 2e-54 GenBank AAH21160.1 "Sin3b protein [Mus musculus]" 34.77 302 99 99 2e-54 GenBank AAA69774.1 "mSin3B gene product" 11.01 954 99 99 2e-54 PIR I61714 "co-repressor protein - mouse" 11.01 954 99 99 2e-54 REF NP_033214.1 "transcriptional regulator, SIN3B;transcriptional regulator, SIN3 yeast homolog B [Musmusculus]" 11.01 954 99 99 2e-54 SWISS-PROT Q62141 "SN3B_MOUSE Paired amphipathic helix proteinSin3b" 11.01 954 99 99 2e-54 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Gene_mnemonic $mSin3B-PAH2 Mouse 10090 Eukaryota Metazoa Mus musculus SIN3B stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_type _Vector_name $mSin3B-PAH2 'recombinant technology' "E. coli" Escherichia coli pBL21 plasmid pGEX2T stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_Typical_sample _Saveframe_category sample _Sample_type solution _Details ; Trace amounts of Sodium azide and protease inhibitors were added for conservation ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $mSin3B-PAH2 1.0 mM "[U-100% 13C; U-100% 15N]" "Potassium Phosphate" 50 mM . "Potassium Chloride" 100 mM . stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version 1.7 loop_ _Task "Data processing" stop_ _Citation_label $citation_1 save_ save_XEASY _Saveframe_category software _Name XEASY _Version 1.3.9 loop_ _Task "Spectral analysis" stop_ _Citation_label $citation_2 save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model Inova _Field_strength 500 save_ ############################# # NMR applied experiments # ############################# save_NMR_applied_experiment _Saveframe_category NMR_applied_experiment _Experiment_name ; HNCA HNCO CBCA(CO)NNH HNCACB ; save_ ####################### # Sample conditions # ####################### save_sample_conditions _Saveframe_category sample_conditions loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.5 0.1 na temperature 293 1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Saveframe_category chemical_shift_reference 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 H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # Index Value Definition # # # # 1 Unique # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups # # 3 Aromatic atoms on opposite sides of the ring # # (e.g. Tyr HE1 and HE2 protons) # # 4 Intraresidue ambiguities (e.g. Lys HG and # # HD protons) # # 5 Interresidue ambiguities (Lys 12 vs. Lys 27) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts _Saveframe_category assigned_chemical_shifts loop_ _Sample_label $Typical_sample stop_ _Sample_conditions_label $sample_conditions _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name PAH2 loop_ _Atom_shift_assign_ID _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 GLU CA C 57.43 0.200 1 2 1 GLU CB C 29.96 0.300 1 3 1 GLU C C 177.03 0.100 1 4 1 GLU H H 8.90 0.030 1 5 1 GLU N N 123.20 0.200 1 6 2 SER CA C 58.65 0.200 1 7 2 SER CB C 63.91 0.300 1 8 2 SER C C 174.51 0.100 1 9 2 SER H H 8.28 0.030 1 10 2 SER N N 115.80 0.200 1 11 3 ASP CA C 54.63 0.200 1 12 3 ASP CB C 41.46 0.300 1 13 3 ASP C C 176.52 0.100 1 14 3 ASP H H 8.21 0.030 1 15 3 ASP N N 122.46 0.200 1 16 4 SER CA C 58.36 0.200 1 17 4 SER CB C 64.25 0.300 1 18 4 SER C C 175.17 0.100 1 19 4 SER H H 8.21 0.030 1 20 4 SER N N 115.92 0.200 1 21 5 VAL CA C 63.82 0.200 1 22 5 VAL CB C 32.76 0.300 1 23 5 VAL C C 176.90 0.100 1 24 5 VAL H H 8.26 0.030 1 25 5 VAL N N 123.08 0.200 1 26 6 GLU CA C 58.05 0.200 1 27 6 GLU CB C 30.19 0.300 1 28 6 GLU C C 177.50 0.100 1 29 6 GLU H H 8.49 0.030 1 30 6 GLU N N 122.34 0.200 1 31 7 PHE CA C 59.20 0.200 1 32 7 PHE CB C 39.72 0.300 1 33 7 PHE C C 176.09 0.100 1 34 7 PHE H H 8.26 0.030 1 35 7 PHE N N 121.23 0.200 1 36 8 ASN CA C 54.66 0.200 1 37 8 ASN CB C 38.89 0.300 1 38 8 ASN C C 176.80 0.100 1 39 8 ASN H H 8.29 0.030 1 40 8 ASN N N 119.38 0.200 1 41 9 ASN CA C 54.82 0.200 1 42 9 ASN CB C 38.70 0.300 1 43 9 ASN C C 177.03 0.100 1 44 9 ASN H H 8.65 0.030 1 45 9 ASN N N 120.12 0.200 1 46 10 ALA CA C 55.05 0.200 1 47 10 ALA CB C 18.84 0.300 1 48 10 ALA C C 178.99 0.100 1 49 10 ALA H H 8.35 0.030 1 50 10 ALA N N 124.93 0.200 1 51 11 ILE CA C 62.96 0.200 1 52 11 ILE CB C 37.93 0.300 1 53 11 ILE C C 178.31 0.100 1 54 11 ILE H H 8.10 0.030 1 55 11 ILE N N 118.39 0.200 1 56 12 SER CA C 61.36 0.200 1 57 12 SER C C 176.95 0.100 1 58 12 SER H H 8.19 0.030 1 59 12 SER N N 116.91 0.200 1 60 13 TYR CA C 61.49 0.200 1 61 13 TYR CB C 41.77 0.300 1 62 13 TYR C C 177.00 0.100 1 63 13 TYR H H 8.09 0.030 1 64 13 TYR N N 123.94 0.200 1 65 14 VAL CA C 67.15 0.200 1 66 14 VAL CB C 30.02 0.300 1 67 14 VAL C C 178.04 0.100 1 68 14 VAL H H 8.28 0.030 1 69 14 VAL N N 115.68 0.200 1 70 15 ASN CA C 55.92 0.200 1 71 15 ASN CB C 38.46 0.300 1 72 15 ASN C C 177.74 0.100 1 73 15 ASN H H 8.20 0.030 1 74 15 ASN N N 117.53 0.200 1 75 16 LYS CA C 59.72 0.200 1 76 16 LYS CB C 32.43 0.300 1 77 16 LYS C C 178.85 0.100 1 78 16 LYS H H 8.01 0.030 1 79 16 LYS N N 123.94 0.200 1 80 17 ILE CA C 63.95 0.200 1 81 17 ILE CB C 36.91 0.300 1 82 17 ILE C C 177.28 0.100 1 83 17 ILE H H 7.62 0.030 1 84 17 ILE N N 120.36 0.200 1 85 18 LYS CA C 59.70 0.200 1 86 18 LYS CB C 32.78 0.300 1 87 18 LYS C C 179.47 0.100 1 88 18 LYS H H 8.06 0.030 1 89 18 LYS N N 119.87 0.200 1 90 19 THR CA C 65.59 0.200 1 91 19 THR CB C 69.35 0.300 1 92 19 THR C C 176.61 0.100 1 93 19 THR H H 7.89 0.030 1 94 19 THR N N 111.48 0.200 1 95 20 ARG CA C 56.26 0.200 1 96 20 ARG CB C 28.20 0.300 1 97 20 ARG C C 177.30 0.100 1 98 20 ARG H H 8.09 0.030 1 99 20 ARG N N 123.57 0.200 1 100 21 PHE CA C 57.04 0.200 1 101 21 PHE CB C 37.89 0.300 1 102 21 PHE C C 177.78 0.100 1 103 21 PHE H H 7.35 0.030 1 104 21 PHE N N 113.83 0.200 1 105 22 LEU CA C 58.82 0.200 1 106 22 LEU CB C 42.62 0.300 1 107 22 LEU C C 178.25 0.100 1 108 22 LEU H H 7.24 0.030 1 109 22 LEU N N 126.16 0.200 1 110 23 ASP CA C 54.08 0.200 1 111 23 ASP CB C 40.59 0.300 1 112 23 ASP C C 175.67 0.100 1 113 23 ASP H H 8.67 0.030 1 114 23 ASP N N 113.33 0.200 1 115 24 HIS CA C 53.92 0.200 1 116 24 HIS CB C 30.90 0.300 1 117 24 HIS H H 7.76 0.030 1 118 24 HIS N N 117.40 0.200 1 119 25 PRO CA C 65.12 0.200 1 120 25 PRO C C 177.58 0.100 1 121 26 GLU CA C 59.25 0.200 1 122 26 GLU CB C 27.38 0.300 1 123 26 GLU C C 178.84 0.100 1 124 26 GLU H H 10.29 0.030 1 125 26 GLU N N 121.72 0.200 1 126 27 ILE CA C 64.32 0.200 1 127 27 ILE CB C 37.17 0.300 1 128 27 ILE C C 177.71 0.100 1 129 27 ILE H H 8.15 0.030 1 130 27 ILE N N 123.32 0.200 1 131 28 TYR CA C 60.84 0.200 1 132 28 TYR CB C 38.68 0.300 1 133 28 TYR C C 176.65 0.100 1 134 28 TYR H H 6.81 0.030 1 135 28 TYR N N 119.75 0.200 1 136 29 ARG CA C 59.78 0.200 1 137 29 ARG CB C 30.13 0.300 1 138 29 ARG C C 179.44 0.100 1 139 29 ARG H H 8.40 0.030 1 140 29 ARG N N 117.53 0.200 1 141 30 SER CA C 62.52 0.200 1 142 30 SER CB C 62.85 0.500 1 143 30 SER C C 175.89 0.100 1 144 30 SER H H 8.18 0.030 1 145 30 SER N N 116.66 0.200 1 146 31 PHE CA C 61.25 0.200 1 147 31 PHE CB C 38.74 0.300 1 148 31 PHE C C 175.83 0.100 1 149 31 PHE H H 8.24 0.030 1 150 31 PHE N N 123.57 0.200 1 151 32 LEU CA C 57.50 0.200 1 152 32 LEU CB C 41.88 0.300 1 153 32 LEU C C 179.35 0.100 1 154 32 LEU H H 7.97 0.030 1 155 32 LEU N N 117.90 0.200 1 156 33 GLU CA C 59.46 0.200 1 157 33 GLU CB C 29.83 0.300 1 158 33 GLU C C 179.68 0.100 1 159 33 GLU H H 7.88 0.030 1 160 33 GLU N N 119.25 0.200 1 161 34 ILE CA C 65.00 0.200 1 162 34 ILE CB C 38.21 0.300 1 163 34 ILE C C 178.11 0.100 1 164 34 ILE H H 7.97 0.030 1 165 34 ILE N N 122.46 0.200 1 166 35 LEU CA C 57.55 0.200 1 167 35 LEU CB C 41.50 0.300 1 168 35 LEU C C 178.92 0.100 1 169 35 LEU H H 7.79 0.030 1 170 35 LEU N N 119.62 0.200 1 171 36 HIS CA C 58.54 0.200 1 172 36 HIS CB C 29.61 0.300 1 173 36 HIS C C 177.76 0.100 1 174 36 HIS H H 8.63 0.030 1 175 36 HIS N N 117.90 0.200 1 176 37 THR CA C 66.78 0.200 1 177 37 THR CB C 68.72 0.300 1 178 37 THR C C 175.66 0.100 1 179 37 THR H H 8.34 0.030 1 180 37 THR N N 117.53 0.200 1 181 38 TYR CA C 60.86 0.200 1 182 38 TYR CB C 38.91 0.300 1 183 38 TYR C C 177.21 0.100 1 184 38 TYR H H 8.27 0.030 1 185 38 TYR N N 122.34 0.200 1 186 39 GLN CA C 58.37 0.200 1 187 39 GLN CB C 29.30 0.300 1 188 39 GLN C C 177.95 0.100 1 189 39 GLN H H 8.32 0.030 1 190 39 GLN N N 117.53 0.200 1 191 40 LYS CA C 58.54 0.200 1 192 40 LYS CB C 32.65 0.300 1 193 40 LYS C C 178.36 0.100 1 194 40 LYS H H 7.97 0.030 1 195 40 LYS N N 119.62 0.200 1 196 41 GLU CA C 57.53 0.200 1 197 41 GLU CB C 29.90 0.300 1 198 41 GLU C C 177.58 0.100 1 199 41 GLU H H 8.04 0.030 1 200 41 GLU N N 119.13 0.200 1 201 42 GLN CA C 56.01 0.200 1 202 42 GLN CB C 29.15 0.300 1 203 42 GLN C C 176.63 0.100 1 204 42 GLN H H 7.86 0.030 1 205 42 GLN N N 117.90 0.200 1 206 43 LEU CA C 55.49 0.200 1 207 43 LEU CB C 42.56 0.300 1 208 43 LEU C C 177.30 0.100 1 209 43 LEU H H 7.72 0.030 1 210 43 LEU N N 120.36 0.200 1 211 44 HIS CA C 55.83 0.200 1 212 44 HIS CB C 29.90 0.300 1 213 44 HIS C C 175.37 0.100 1 214 44 HIS H H 8.21 0.030 1 215 44 HIS N N 119.38 0.200 1 216 45 THR CA C 61.94 0.200 1 217 45 THR CB C 70.43 0.300 1 218 45 THR C C 174.74 0.100 1 219 45 THR H H 8.17 0.030 1 220 45 THR N N 115.68 0.200 1 221 46 LYS CA C 57.06 0.200 1 222 46 LYS CB C 32.73 0.300 1 223 46 LYS C C 177.32 0.100 1 224 46 LYS H H 8.40 0.030 1 225 46 LYS N N 123.94 0.200 1 226 47 GLY CA C 45.22 0.200 1 227 47 GLY C C 173.87 0.100 1 228 47 GLY H H 8.63 0.030 1 229 47 GLY N N 110.74 0.200 1 230 48 ARG CA C 53.63 0.200 1 231 48 ARG CB C 30.55 0.300 1 232 48 ARG H H 7.92 0.030 1 233 48 ARG N N 120.98 0.200 1 234 49 PRO CA C 63.18 0.200 1 235 49 PRO C C 176.33 0.100 1 236 50 PHE CA C 57.45 0.200 1 237 50 PHE CB C 40.13 0.300 1 238 50 PHE C C 175.23 0.100 1 239 50 PHE H H 8.26 0.030 1 240 50 PHE N N 120.86 0.200 1 241 51 ARG CA C 55.69 0.200 1 242 51 ARG CB C 31.15 0.300 1 243 51 ARG C C 175.97 0.100 1 244 51 ARG H H 8.32 0.030 1 245 51 ARG N N 124.19 0.200 1 246 52 GLY CA C 44.79 0.200 1 247 52 GLY C C 173.43 0.100 1 248 52 GLY H H 7.80 0.030 1 249 52 GLY N N 110.00 0.200 1 250 53 MET CA C 56.20 0.200 1 251 53 MET C C 175.92 0.100 1 252 53 MET H H 8.80 0.030 1 253 53 MET N N 121.71 0.200 1 254 54 SER CA C 57.36 0.200 1 255 54 SER CB C 66.03 0.300 1 256 54 SER C C 175.16 0.100 1 257 54 SER H H 8.95 0.030 1 258 54 SER N N 120.61 0.200 1 259 55 GLU CA C 60.54 0.200 1 260 55 GLU CB C 29.74 0.300 1 261 55 GLU C C 178.29 0.100 1 262 55 GLU H H 9.02 0.030 1 263 55 GLU N N 121.47 0.200 1 264 56 GLU CA C 59.90 0.200 1 265 56 GLU CB C 29.59 0.300 1 266 56 GLU C C 173.91 0.100 1 267 56 GLU H H 8.69 0.030 1 268 56 GLU N N 118.64 0.200 1 269 57 GLU CA C 59.33 0.200 1 270 57 GLU CB C 30.48 0.300 1 271 57 GLU C C 179.12 0.100 1 272 57 GLU H H 7.92 0.030 1 273 57 GLU N N 121.10 0.200 1 274 58 VAL CA C 66.33 0.200 1 275 58 VAL CB C 31.21 0.300 1 276 58 VAL C C 177.23 0.100 1 277 58 VAL H H 8.13 0.030 1 278 58 VAL N N 120.61 0.200 1 279 59 PHE CA C 62.17 0.200 1 280 59 PHE CB C 38.90 0.300 1 281 59 PHE C C 177.81 0.100 1 282 59 PHE H H 8.26 0.030 1 283 59 PHE N N 119.62 0.200 1 284 60 THR CA C 66.78 0.200 1 285 60 THR CB C 69.13 0.300 1 286 60 THR C C 176.26 0.100 1 287 60 THR H H 8.22 0.030 1 288 60 THR N N 115.92 0.200 1 289 61 GLU CA C 59.11 0.200 1 290 61 GLU CB C 29.65 0.300 1 291 61 GLU C C 180.09 0.100 1 292 61 GLU H H 7.97 0.030 1 293 61 GLU N N 120.73 0.200 1 294 62 VAL CA C 66.52 0.200 1 295 62 VAL CB C 40.15 0.300 1 296 62 VAL C C 176.61 0.100 1 297 62 VAL H H 8.28 0.030 1 298 62 VAL N N 120.98 0.200 1 299 63 ALA CA C 55.08 0.200 1 300 63 ALA CB C 17.97 0.300 1 301 63 ALA C C 180.09 0.100 1 302 63 ALA H H 8.45 0.030 1 303 63 ALA N N 122.34 0.200 1 304 64 ASN CA C 55.39 0.200 1 305 64 ASN CB C 38.90 0.300 1 306 64 ASN C C 177.72 0.100 1 307 64 ASN H H 7.45 0.030 1 308 64 ASN N N 114.44 0.200 1 309 65 LEU CA C 57.07 0.200 1 310 65 LEU CB C 42.74 0.300 1 311 65 LEU C C 178.45 0.100 1 312 65 LEU H H 7.63 0.030 1 313 65 LEU N N 121.35 0.200 1 314 66 PHE CA C 53.01 0.200 1 315 66 PHE CB C 37.05 0.300 1 316 66 PHE C C 174.84 0.100 1 317 66 PHE H H 8.13 0.030 1 318 66 PHE N N 115.06 0.200 1 319 67 ARG CA C 58.47 0.200 1 320 67 ARG CB C 29.95 0.300 1 321 67 ARG C C 177.81 0.100 1 322 67 ARG H H 7.01 0.030 1 323 67 ARG N N 120.98 0.200 1 324 68 GLY CA C 45.49 0.200 1 325 68 GLY C C 174.35 0.100 1 326 68 GLY H H 9.35 0.030 1 327 68 GLY N N 115.31 0.200 1 328 69 GLN CA C 52.34 0.200 1 329 69 GLN CB C 26.78 0.300 1 330 69 GLN C C 176.19 0.100 1 331 69 GLN H H 8.48 0.030 1 332 69 GLN N N 120.61 0.200 1 333 70 GLU CA C 60.72 0.200 1 334 70 GLU CB C 29.35 0.300 1 335 70 GLU C C 178.50 0.100 1 336 70 GLU H H 8.61 0.030 1 337 70 GLU N N 120.73 0.200 1 338 71 ASP CA C 56.31 0.200 1 339 71 ASP CB C 38.78 0.300 1 340 71 ASP C C 178.39 0.100 1 341 71 ASP H H 8.97 0.030 1 342 71 ASP N N 119.38 0.200 1 343 72 LEU CA C 56.64 0.200 1 344 72 LEU CB C 41.87 0.300 1 345 72 LEU C C 180.44 0.100 1 346 72 LEU H H 7.76 0.030 1 347 72 LEU N N 119.75 0.200 1 348 73 LEU CA C 57.55 0.200 1 349 73 LEU CB C 41.87 0.300 1 350 73 LEU C C 175.94 0.100 1 351 73 LEU H H 8.03 0.030 1 352 73 LEU N N 120.12 0.200 1 353 74 SER CA C 61.56 0.200 1 354 74 SER CB C 63.00 0.300 1 355 74 SER C C 177.09 0.100 1 356 74 SER H H 8.02 0.030 1 357 74 SER N N 113.58 0.200 1 358 75 GLU CA C 57.33 0.200 1 359 75 GLU CB C 30.46 0.300 1 360 75 GLU C C 177.60 0.100 1 361 75 GLU H H 7.89 0.030 1 362 75 GLU N N 119.25 0.200 1 363 76 PHE CA C 62.05 0.200 1 364 76 PHE C C 176.73 0.100 1 365 76 PHE H H 7.84 0.030 1 366 76 PHE N N 121.60 0.200 1 367 77 GLY CA C 46.79 0.200 1 368 77 GLY C C 175.53 0.100 1 369 77 GLY H H 8.41 0.030 1 370 77 GLY N N 103.96 0.200 1 371 78 GLN CA C 56.86 0.200 1 372 78 GLN CB C 29.28 0.300 1 373 78 GLN C C 176.80 0.100 1 374 78 GLN H H 7.41 0.030 1 375 78 GLN N N 117.65 0.200 1 376 79 PHE CA C 58.64 0.200 1 377 79 PHE CB C 43.50 0.300 1 378 79 PHE C C 178.92 0.100 1 379 79 PHE H H 7.50 0.030 1 380 79 PHE N N 120.61 0.200 1 381 80 LEU CA C 57.46 0.200 1 382 80 LEU H H 8.68 0.030 1 383 80 LEU N N 117.90 0.200 1 384 81 PRO CA C 62.68 0.200 1 385 81 PRO C C 175.73 0.100 1 386 82 GLU CA C 57.78 0.200 1 387 82 GLU C C 178.43 0.100 1 388 82 GLU H H 8.57 0.030 1 389 82 GLU N N 123.08 0.200 1 390 83 ALA CA C 54.10 0.200 1 391 83 ALA CB C 18.04 0.300 1 392 83 ALA C C 178.87 0.100 1 393 83 ALA H H 8.14 0.030 1 394 83 ALA N N 122.95 0.200 1 395 84 LYS CA C 58.14 0.200 1 396 84 LYS CB C 39.21 0.300 1 397 84 LYS C C 175.94 0.100 1 398 84 LYS H H 7.96 0.030 1 399 84 LYS N N 116.29 0.200 1 400 85 ARG CA C 57.71 0.200 1 401 85 ARG CB C 31.23 0.300 1 402 85 ARG C C 177.42 0.100 1 403 85 ARG H H 7.57 0.030 1 404 85 ARG N N 119.91 0.200 1 405 86 SER CA C 59.44 0.200 1 406 86 SER CB C 64.62 0.300 1 407 86 SER C C 174.56 0.100 1 408 86 SER H H 8.07 0.030 1 409 86 SER N N 113.70 0.200 1 410 87 LEU CA C 55.53 0.200 1 411 87 LEU CB C 42.77 0.300 1 412 87 LEU C C 178.94 0.100 1 413 87 LEU H H 8.03 0.030 1 414 87 LEU N N 122.09 0.200 1 415 88 PHE CA C 57.26 0.200 1 416 88 PHE CB C 39.21 0.300 1 417 88 PHE C C 176.08 0.100 1 418 88 PHE H H 8.10 0.030 1 419 88 PHE N N 118.14 0.200 1 420 89 THR CA C 61.68 0.200 1 421 89 THR CB C 70.18 0.300 1 422 89 THR C C 175.30 0.100 1 423 89 THR H H 7.96 0.030 1 424 89 THR N N 112.84 0.200 1 425 90 GLY CA C 45.45 0.200 1 426 90 GLY C C 174.14 0.100 1 427 90 GLY H H 8.12 0.030 1 428 90 GLY N N 110.49 0.200 1 429 91 ASN CA C 53.23 0.200 1 430 91 ASN CB C 39.35 0.300 1 431 91 ASN C C 176.01 0.100 1 432 91 ASN H H 8.44 0.030 1 433 91 ASN N N 119.01 0.200 1 434 92 GLY CA C 45.53 0.200 1 435 92 GLY C C 174.45 0.100 1 436 92 GLY H H 8.53 0.030 1 437 92 GLY N N 109.75 0.200 1 438 93 SER CA C 58.34 0.200 1 439 93 SER CB C 64.26 0.300 1 440 93 SER C C 174.79 0.100 1 441 93 SER H H 8.20 0.030 1 442 93 SER N N 115.80 0.200 1 443 94 ALA CA C 52.94 0.200 1 444 94 ALA CB C 19.49 0.300 1 445 94 ALA C C 177.99 0.100 1 446 94 ALA H H 8.44 0.030 1 447 94 ALA N N 125.92 0.200 1 448 95 GLU CA C 56.76 0.200 1 449 95 GLU CB C 30.52 0.300 1 450 95 GLU C C 176.87 0.100 1 451 95 GLU H H 8.36 0.030 1 452 95 GLU N N 119.50 0.200 1 453 96 MET CA C 55.65 0.200 1 454 96 MET CB C 33.44 0.300 1 455 96 MET C C 176.26 0.100 1 456 96 MET H H 8.31 0.030 1 457 96 MET N N 120.86 0.200 1 458 97 ASN CA C 53.25 0.200 1 459 97 ASN CB C 39.21 0.300 1 460 97 ASN C C 175.39 0.100 1 461 97 ASN H H 8.46 0.030 1 462 97 ASN N N 119.87 0.200 1 463 98 SER CA C 58.72 0.200 1 464 98 SER CB C 63.97 0.300 1 465 98 SER C C 175.27 0.100 1 466 98 SER H H 8.37 0.030 1 467 98 SER N N 116.54 0.200 1 468 99 GLY CA C 45.30 0.200 1 469 99 GLY C C 174.30 0.100 1 470 99 GLY H H 8.50 0.030 1 471 99 GLY N N 110.86 0.200 1 472 100 GLN CA C 55.69 0.200 1 473 100 GLN CB C 29.86 0.300 1 474 100 GLN C C 176.03 0.100 1 475 100 GLN H H 8.19 0.030 1 476 100 GLN N N 120.12 0.200 1 477 101 LYS CA C 56.21 0.200 1 478 101 LYS CB C 33.49 0.300 1 479 101 LYS C C 176.27 0.100 1 480 101 LYS H H 8.45 0.030 1 481 101 LYS N N 122.95 0.200 1 482 102 ASN CA C 53.29 0.200 1 483 102 ASN CB C 39.31 0.300 1 484 102 ASN C C 175.18 0.100 1 485 102 ASN H H 8.56 0.030 1 486 102 ASN N N 120.73 0.200 1 487 103 GLU CA C 56.36 0.200 1 488 103 GLU CB C 30.80 0.300 1 489 103 GLU C C 176.26 0.100 1 490 103 GLU H H 8.48 0.030 1 491 103 GLU N N 121.60 0.200 1 492 104 GLU CA C 56.44 0.200 1 493 104 GLU CB C 30.58 0.300 1 494 104 GLU C C 175.51 0.100 1 495 104 GLU H H 8.42 0.030 1 496 104 GLU N N 122.83 0.200 1 497 105 LYS CA C 57.43 0.200 1 498 105 LYS CB C 34.08 0.300 1 499 105 LYS H H 7.97 0.030 1 500 105 LYS N N 127.89 0.200 1 stop_ save_ ####################################### # Cited references within the entry # ####################################### save_citation_1 _Saveframe_category citation _MEDLINE_UI_code 8520220 _Citation_full ; Delaglio, F. et al. J. Biomol. NMR 6, 277-293 (1995) ; save_ save_citation_2 _Saveframe_category citation _MEDLINE_UI_code . _Citation_full ; Ch. Bartels, et al. J. Biomol. NMR 6, 1-10 (1995). ; save_