data_395 #Corrected using PDB structure: 1BAZC # #N.B. (Observed* = Observed shift + Offset correction) # #After reference correction, the following residues still #have a HA chemical shift difference (obs*-pred) greater than 0.7ppm: #NUM AA CS Observed* Predicted # 38 Y HA 3.31 4.04 # #The average CS difference between predicted and observed: #HA CA CB CO N HN #-0.07 N/A N/A N/A N/A -0.09 # #bmr395.str.corr chemical shifts have been re-referenced with the following #offsets (these values have been added to the original bmr395.str file): #HA CA CB CO N HN #N/A N/A N/A N/A N/A N/A # #The 95% confidence intervals for the above recommended offsets are: # HA CA CB CO N HN #+/-0.04 N/A N/A N/A N/A +/-0.08 # #The Correlation Coefficients between predicted and observed #chemical shifts are: #HA CA CB CO N HN #0.909 N/A N/A N/A N/A 0.499 # #The RMSD between predicted and observed* (reference #corrected) chemical shifts are: #HA CA CB CO N HN #0.142 N/A N/A N/A N/A 0.271 # ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Sequence-Specific 1H NMR Assignment and Secondary Structure of the Arc Repressor of Bacteriophage P22, As Determined by Two-Dimensional 1H NMR Spectroscopy ; loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Breg J. N. . 2 Boelens Rolf . . 3 George A. V.E. . 4 Kaptein Robert . . stop_ _BMRB_accession_number 395 _BMRB_flat_file_name bmr395.str _Entry_type revision _Submission_date 1995-07-31 _Accession_date 1996-04-13 _Entry_origination BMRB _NMR_STAR_version 2.1 _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' 309 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 1999-06-14 revision BMRB 'Converted to BMRB NMR-STAR V 2.1 format' 1996-04-13 revision BMRB 'Link to the Protein Data Bank added' 1996-03-25 reformat BMRB 'Converted to the BMRB 1996-03-01 STAR flat-file format' 1995-07-31 original BMRB 'Last release in original BMRB flat-file format' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full ; Breg, J.N., Boelens, Rolf, George, A.V.E., Kaptein, Robert, "Sequence-Specific 1H NMR Assignment and Secondary Structure of the Arc Repressor of Bacteriophage P22, As Determined by Two-Dimensional 1H NMR Spectroscopy," Biochemistry 28, 9826-9833 (1989). ; _Citation_title ; Sequence-Specific 1H NMR Assignment and Secondary Structure of the Arc Repressor of Bacteriophage P22, As Determined by Two-Dimensional 1H NMR Spectroscopy ; _Citation_status published _Citation_type journal _MEDLINE_UI_code ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Breg J. N. . 2 Boelens Rolf . . 3 George A. V.E. . 4 Kaptein Robert . . stop_ _Journal_abbreviation Biochemistry _Journal_volume 28 _Page_first 9826 _Page_last 9833 _Year 1989 save_ ################################## # Molecular system description # ################################## save_system_P22_arc_repressor _Saveframe_category molecular_system _Mol_system_name 'P22 arc repressor' _Abbreviation_common ? loop_ _Mol_system_component_name _Mol_label 'P22 arc repressor' $P22_arc_repressor stop_ _System_physical_state ? _System_oligomer_state ? _System_paramagnetic ? loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Database_entry_details PDB 1BDT "B Chain B, Wildtype Arc-Dna Cryo" . PDB 1PAR "B Chain B, Arc Repressor And A Synthetic 22-Mer Dna (21 Base-Pairs And One Base 5' Overhang) Containing The Sequence Of The Arc Operator" . PDB 1ARQ "A Chain A, Arc Repressor (Nmr, 16 Structures)" . PDB 1ARR "A Chain A, Arc Repressor (Nmr, Minimized Average Structure)" . PDB 1BAZ "A Chain A, Arc Repressor Mutant Phe10val" . PDB 1BDV "B Chain B, Arc Fv10 Cocrystal" . PDB 1MYK "A Chain A, Phage P22 Arc Repressor Dimer Mutant With Pro 8 Replaced By Leu (P8l)" . stop_ save_ ######################## # Monomeric polymers # ######################## save_P22_arc_repressor _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'P22 arc repressor' _Abbreviation_common ? ############################## # Polymer residue sequence # ############################## _Residue_count 53 _Mol_residue_sequence ; MKGMSKMPQFNLRWPREVLD LVRKVAEENGRSVNSEIYQR VMESFKKEGRIGA ; loop_ _Residue_seq_code _Residue_label 1 MET 2 LYS 3 GLY 4 MET 5 SER 6 LYS 7 MET 8 PRO 9 GLN 10 PHE 11 ASN 12 LEU 13 ARG 14 TRP 15 PRO 16 ARG 17 GLU 18 VAL 19 LEU 20 ASP 21 LEU 22 VAL 23 ARG 24 LYS 25 VAL 26 ALA 27 GLU 28 GLU 29 ASN 30 GLY 31 ARG 32 SER 33 VAL 34 ASN 35 SER 36 GLU 37 ILE 38 TYR 39 GLN 40 ARG 41 VAL 42 MET 43 GLU 44 SER 45 PHE 46 LYS 47 LYS 48 GLU 49 GLY 50 ARG 51 ILE 52 GLY 53 ALA stop_ _Sequence_homology_query_date 2004-07-29 _Sequence_homology_query_revised_last_date 2004-04-29 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 1ARQ "A Chain A, Arc Repressor (Nmr, 16 Structures)" 100.00 53 100 100 2e-23 PDB 1ARR "A Chain A, Arc Repressor (Nmr, MinimizedAverage Structure)" 100.00 53 100 100 2e-23 PDB 1BDT "A Chain A, Wildtype Arc-Dna Cryo" 100.00 53 100 100 2e-23 PDB 1PAR "A Chain A, Arc Repressor And A Synthetic22-Mer Dna (21 Base-Pairs And One Base 5' Overhang)Containing The Sequence Of The Arc Operator" 100.00 53 100 100 2e-23 PDB 1BAZ "A Chain A, Arc Repressor Mutant Phe10val" 100.00 53 98 98 10e-23 PDB 1BDV "A Chain A, Arc Fv10 Cocrystal" 100.00 53 98 98 10e-23 PDB 1MYK "A Chain A, Phage P22 Arc Repressor DimerMutant With Pro 8 Replaced By Leu (P8l)" 100.00 53 98 98 3e-22 EMBL CAA25990.1 "unnamed protein product [Enterobacteriaphage P22]" 100.00 53 100 100 2e-23 GenBank AAA74721.1 "repressor protein [Cloning vectorpSA300]" 100.00 53 100 100 2e-23 GenBank AAF75058.1 "repressor protein [Enterobacteria phageP22]" 100.00 53 100 100 2e-23 GenBank AAM81381.1 "Arc repressor [Bacteriophage P22-pbi]" 100.00 53 100 100 2e-23 PIR RGBPA2 "regulatory protein arc - phage P22" 100.00 53 100 100 2e-23 REF NP_059642.1 "repressor protein [Enterobacteriaphage P22]" 100.00 53 100 100 2e-23 SWISS-PROT P03050 "RARC_BPP22 Transcriptional repressor arc" 100.00 53 100 100 2e-23 tpg DAA00979.1 "TPA: transcriptional repressor; Arc[Enterobacteria phage P22]" 100.00 53 100 100 2e-23 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Strain $P22_arc_repressor 'E coli plasmid' ? pTA200 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Genus _Species _Strain $P22_arc_repressor 'not available' Escherichia coli X90 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_one _Saveframe_category sample _Sample_type solution loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling ? ? ? ? stop_ save_ ####################### # Sample conditions # ####################### save_sample_condition_set_one _Saveframe_category sample_conditions loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 4.7 . na temperature 303 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_par_set_one _Saveframe_category chemical_shift_reference loop_ _Mol_common_name _Atom_type _Chem_shift_units _Chem_shift_value DSS H ppm 0 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_chemical_shift_assignment_data_set_one _Saveframe_category assigned_chemical_shifts loop_ _Sample_label $sample_one stop_ _Sample_conditions_label $sample_condition_set_one _Chem_shift_reference_set_label $chem_shift_reference_par_set_one _Mol_system_component_name 'P22 arc repressor' 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 2 LYS H H 8.96 . 1 2 2 LYS HA H 4.44 . 1 3 2 LYS HB2 H 1.83 . 1 4 2 LYS HB3 H 1.83 . 1 5 2 LYS HG2 H 1.47 . 1 6 2 LYS HG3 H 1.47 . 1 7 3 GLY H H 8.59 . 1 8 3 GLY HA2 H 3.98 . 1 9 3 GLY HA3 H 3.98 . 1 10 4 MET H H 8.24 . 1 11 4 MET HA H 4.52 . 1 12 4 MET HB2 H 2.02 . 2 13 4 MET HB3 H 2.10 . 2 14 4 MET HG2 H 2.60 . 2 15 4 MET HG3 H 2.54 . 2 16 5 SER H H 8.39 . 1 17 5 SER HA H 4.40 . 1 18 5 SER HB2 H 3.86 . 2 19 5 SER HB3 H 3.91 . 2 20 6 LYS H H 8.34 . 1 21 6 LYS HA H 4.35 . 1 22 6 LYS HB2 H 1.77 . 1 23 6 LYS HB3 H 1.77 . 1 24 6 LYS HG2 H 1.42 . 2 25 6 LYS HG3 H 1.49 . 2 26 6 LYS HE2 H 3.01 . 1 27 6 LYS HE3 H 3.01 . 1 28 7 MET H H 8.22 . 1 29 7 MET HA H 4.84 . 1 30 7 MET HB2 H 1.90 . 1 31 7 MET HB3 H 1.90 . 1 32 7 MET HG2 H 2.45 . 2 33 7 MET HG3 H 2.58 . 2 34 8 PRO HA H 4.42 . 1 35 8 PRO HB2 H 1.92 . 2 36 8 PRO HB3 H 2.27 . 2 37 8 PRO HD2 H 3.67 . 2 38 8 PRO HD3 H 4.17 . 2 39 9 GLN H H 8.07 . 1 40 9 GLN HA H 5.13 . 1 41 9 GLN HB2 H 1.81 . 2 42 9 GLN HB3 H 1.92 . 2 43 9 GLN HG2 H 2.17 . 1 44 9 GLN HG3 H 2.17 . 1 45 9 GLN HE21 H 6.79 . 2 46 9 GLN HE22 H 7.48 . 2 47 10 PHE H H 8.58 . 1 48 10 PHE HA H 4.75 . 1 49 10 PHE HB2 H 2.83 . 1 50 10 PHE HB3 H 2.83 . 1 51 10 PHE HD2 H 6.83 . 1 52 10 PHE HE2 H 6.64 . 1 53 10 PHE HZ H 5.97 . 1 54 11 ASN H H 8.14 . 1 55 11 ASN HA H 5.04 . 1 56 11 ASN HB2 H 2.39 . 2 57 11 ASN HB3 H 2.44 . 2 58 11 ASN HD21 H 6.72 . 2 59 11 ASN HD22 H 7.25 . 2 60 12 LEU H H 8.13 . 1 61 12 LEU HA H 4.38 . 1 62 12 LEU HB2 H 0.42 . 1 63 12 LEU HB3 H 0.42 . 1 64 12 LEU HG H 1.04 . 1 65 12 LEU HD1 H 0.22 . 2 66 12 LEU HD2 H 0.73 . 2 67 13 ARG H H 8.04 . 1 68 13 ARG HA H 4.91 . 1 69 13 ARG HB2 H 1.59 . 2 70 13 ARG HB3 H 1.65 . 2 71 13 ARG HG2 H 1.35 . 2 72 13 ARG HG3 H 1.47 . 2 73 13 ARG HD2 H 3.12 . 2 74 13 ARG HD3 H 3.18 . 2 75 13 ARG HE H 7.17 . 1 76 14 TRP H H 7.94 . 1 77 14 TRP HA H 5.39 . 1 78 14 TRP HB2 H 2.94 . 2 79 14 TRP HB3 H 3.25 . 2 80 14 TRP HD1 H 7.47 . 1 81 14 TRP HE1 H 9.45 . 1 82 14 TRP HE3 H 7.29 . 1 83 14 TRP HZ2 H 7.33 . 1 84 14 TRP HZ3 H 6.87 . 1 85 14 TRP HH2 H 6.99 . 1 86 15 PRO HA H 4.67 . 1 87 15 PRO HD2 H 3.35 . 2 88 15 PRO HD3 H 3.78 . 2 89 16 ARG H H 9.00 . 1 90 16 ARG HA H 3.85 . 1 91 16 ARG HB2 H 1.87 . 2 92 16 ARG HB3 H 1.99 . 2 93 16 ARG HG2 H 1.75 . 2 94 16 ARG HG3 H 1.70 . 2 95 16 ARG HD2 H 3.27 . 1 96 16 ARG HD3 H 3.27 . 1 97 16 ARG HE H 7.53 . 1 98 17 GLU H H 9.66 . 1 99 17 GLU HA H 4.18 . 1 100 17 GLU HB2 H 2.05 . 1 101 17 GLU HB3 H 2.05 . 1 102 17 GLU HG2 H 2.39 . 1 103 17 GLU HG3 H 2.39 . 1 104 18 VAL H H 7.32 . 1 105 18 VAL HA H 3.81 . 1 106 18 VAL HB H 2.26 . 1 107 18 VAL HG1 H 0.96 . 1 108 18 VAL HG2 H 1.13 . 1 109 19 LEU H H 7.88 . 1 110 19 LEU HA H 4.13 . 1 111 19 LEU HB2 H 1.72 . 1 112 19 LEU HB3 H 1.72 . 1 113 19 LEU HG H 1.52 . 1 114 19 LEU HD1 H 0.43 . 2 115 19 LEU HD2 H 0.56 . 2 116 20 ASP H H 8.82 . 1 117 20 ASP HA H 4.38 . 1 118 20 ASP HB2 H 2.58 . 2 119 20 ASP HB3 H 2.71 . 2 120 21 LEU H H 7.24 . 1 121 21 LEU HA H 4.17 . 1 122 21 LEU HB2 H 1.54 . 2 123 21 LEU HB3 H 1.84 . 2 124 21 LEU HG H 1.06 . 1 125 21 LEU HD1 H 0.31 . 2 126 21 LEU HD2 H 0.66 . 2 127 22 VAL H H 8.44 . 1 128 22 VAL HA H 3.70 . 1 129 22 VAL HB H 2.40 . 1 130 22 VAL HG1 H 1.09 . 1 131 22 VAL HG2 H 1.30 . 1 132 23 ARG H H 8.55 . 1 133 23 ARG HA H 3.86 . 1 134 23 ARG HB2 H 1.91 . 1 135 23 ARG HB3 H 1.91 . 1 136 23 ARG HG2 H 1.60 . 2 137 23 ARG HG3 H 1.78 . 2 138 23 ARG HD2 H 3.21 . 1 139 23 ARG HD3 H 3.21 . 1 140 23 ARG HE H 7.30 . 1 141 24 LYS H H 7.86 . 1 142 24 LYS HA H 4.09 . 1 143 24 LYS HB2 H 1.98 . 1 144 24 LYS HB3 H 1.98 . 1 145 24 LYS HG2 H 0.94 . 1 146 24 LYS HG3 H 0.94 . 1 147 24 LYS HE2 H 2.87 . 1 148 24 LYS HE3 H 2.87 . 1 149 25 VAL H H 8.34 . 1 150 25 VAL HA H 3.66 . 1 151 25 VAL HB H 2.07 . 1 152 25 VAL HG1 H 0.95 . 1 153 25 VAL HG2 H 0.95 . 1 154 26 ALA H H 8.80 . 1 155 26 ALA HA H 4.28 . 1 156 26 ALA HB H 1.42 . 1 157 27 GLU H H 7.98 . 1 158 27 GLU HA H 4.10 . 1 159 27 GLU HB2 H 2.17 . 2 160 27 GLU HB3 H 2.25 . 2 161 27 GLU HG2 H 2.35 . 2 162 27 GLU HG3 H 2.53 . 2 163 28 GLU H H 8.11 . 1 164 28 GLU HA H 4.03 . 1 165 28 GLU HB2 H 2.08 . 2 166 28 GLU HB3 H 2.30 . 2 167 28 GLU HG2 H 2.34 . 2 168 28 GLU HG3 H 2.56 . 2 169 29 ASN H H 7.98 . 1 170 29 ASN HA H 4.80 . 1 171 29 ASN HB2 H 2.88 . 1 172 29 ASN HB3 H 2.88 . 1 173 29 ASN HD21 H 6.91 . 2 174 29 ASN HD22 H 8.27 . 2 175 30 GLY H H 8.06 . 1 176 30 GLY HA2 H 3.98 . 1 177 30 GLY HA3 H 3.98 . 1 178 31 ARG H H 8.48 . 1 179 31 ARG HA H 4.93 . 1 180 31 ARG HB2 H 1.59 . 2 181 31 ARG HB3 H 1.64 . 2 182 31 ARG HG2 H 1.96 . 1 183 31 ARG HG3 H 1.96 . 1 184 31 ARG HD2 H 3.03 . 2 185 31 ARG HD3 H 3.26 . 2 186 31 ARG HE H 7.76 . 1 187 32 SER H H 8.35 . 1 188 32 SER HA H 4.60 . 1 189 32 SER HB2 H 4.12 . 2 190 32 SER HB3 H 4.50 . 2 191 33 VAL H H 8.90 . 1 192 33 VAL HA H 3.42 . 1 193 33 VAL HB H 2.03 . 1 194 33 VAL HG1 H 0.59 . 1 195 33 VAL HG2 H 1.00 . 1 196 34 ASN H H 8.36 . 1 197 34 ASN HA H 4.46 . 1 198 34 ASN HB2 H 2.93 . 2 199 34 ASN HB3 H 3.05 . 2 200 34 ASN HD21 H 7.27 . 2 201 34 ASN HD22 H 7.75 . 2 202 35 SER H H 8.15 . 1 203 35 SER HA H 4.36 . 1 204 35 SER HB2 H 4.01 . 2 205 35 SER HB3 H 4.08 . 2 206 36 GLU H H 8.85 . 1 207 36 GLU HA H 3.89 . 1 208 36 GLU HB2 H 2.07 . 1 209 36 GLU HB3 H 2.07 . 1 210 36 GLU HG2 H 2.41 . 1 211 36 GLU HG3 H 2.41 . 1 212 37 ILE H H 8.43 . 1 213 37 ILE HA H 3.59 . 1 214 37 ILE HB H 2.14 . 1 215 37 ILE HG2 H 1.21 . 1 216 38 TYR H H 8.20 . 1 217 38 TYR HA H 3.38 . 1 218 38 TYR HB2 H 2.84 . 2 219 38 TYR HB3 H 2.98 . 2 220 38 TYR HD2 H 5.93 . 1 221 38 TYR HE2 H 6.43 . 1 222 39 GLN H H 8.64 . 1 223 39 GLN HA H 3.66 . 1 224 39 GLN HB2 H 2.11 . 1 225 39 GLN HB3 H 2.11 . 1 226 39 GLN HG2 H 2.42 . 2 227 39 GLN HG3 H 2.55 . 2 228 39 GLN HE21 H 6.79 . 2 229 39 GLN HE22 H 7.56 . 2 230 40 ARG H H 7.56 . 1 231 40 ARG HA H 3.96 . 1 232 40 ARG HB2 H 1.69 . 2 233 40 ARG HB3 H 1.84 . 2 234 40 ARG HD2 H 2.64 . 2 235 40 ARG HD3 H 2.93 . 2 236 40 ARG HE H 9.36 . 1 237 41 VAL H H 8.44 . 1 238 41 VAL HA H 3.25 . 1 239 41 VAL HB H 1.91 . 1 240 41 VAL HG1 H 0.51 . 1 241 41 VAL HG2 H 1.14 . 1 242 42 MET H H 8.72 . 1 243 42 MET HA H 4.23 . 1 244 42 MET HB2 H 1.67 . 1 245 42 MET HB3 H 1.67 . 1 246 42 MET HG2 H 1.77 . 1 247 42 MET HG3 H 1.77 . 1 248 43 GLU H H 8.28 . 1 249 43 GLU HA H 3.99 . 1 250 43 GLU HB2 H 1.99 . 2 251 43 GLU HB3 H 2.09 . 2 252 43 GLU HG2 H 2.35 . 1 253 43 GLU HG3 H 2.35 . 1 254 44 SER H H 7.50 . 1 255 44 SER HA H 4.23 . 1 256 44 SER HB2 H 3.94 . 2 257 44 SER HB3 H 4.06 . 2 258 45 PHE H H 7.74 . 1 259 45 PHE HA H 4.66 . 1 260 45 PHE HB2 H 3.06 . 2 261 45 PHE HB3 H 3.23 . 2 262 45 PHE HD2 H 7.20 . 1 263 45 PHE HE2 H 7.03 . 1 264 45 PHE HZ H 6.84 . 1 265 46 LYS H H 8.37 . 1 266 46 LYS HA H 4.23 . 1 267 46 LYS HB2 H 1.94 . 1 268 46 LYS HB3 H 1.94 . 1 269 46 LYS HG2 H 1.37 . 2 270 46 LYS HG3 H 1.52 . 2 271 46 LYS HE2 H 2.93 . 1 272 46 LYS HE3 H 2.93 . 1 273 47 LYS H H 8.27 . 1 274 47 LYS HA H 4.15 . 1 275 47 LYS HB2 H 1.94 . 1 276 47 LYS HB3 H 1.94 . 1 277 47 LYS HD2 H 1.49 . 2 278 47 LYS HD3 H 1.58 . 2 279 47 LYS HE2 H 2.98 . 1 280 47 LYS HE3 H 2.98 . 1 281 48 GLU H H 7.52 . 1 282 48 GLU HA H 4.35 . 1 283 48 GLU HB2 H 2.21 . 1 284 48 GLU HB3 H 2.21 . 1 285 48 GLU HG2 H 2.46 . 2 286 48 GLU HG3 H 2.54 . 2 287 49 GLY H H 7.97 . 1 288 49 GLY HA2 H 3.94 . 2 289 49 GLY HA3 H 4.09 . 2 290 50 ARG H H 7.98 . 1 291 50 ARG HA H 4.26 . 1 292 50 ARG HB2 H 1.56 . 1 293 50 ARG HB3 H 1.56 . 1 294 50 ARG HD2 H 2.89 . 2 295 50 ARG HD3 H 3.08 . 2 296 50 ARG HE H 7.58 . 1 297 51 ILE H H 7.49 . 1 298 51 ILE HA H 4.24 . 1 299 51 ILE HB H 1.73 . 1 300 51 ILE HG12 H 0.95 . 2 301 51 ILE HG13 H 1.33 . 2 302 51 ILE HG2 H 0.81 . 1 303 51 ILE HD1 H 0.82 . 1 304 52 GLY H H 8.41 . 1 305 52 GLY HA2 H 3.90 . 1 306 52 GLY HA3 H 3.90 . 1 307 53 ALA H H 7.82 . 1 308 53 ALA HA H 4.10 . 1 309 53 ALA HB H 1.30 . 1 stop_ loop_ _Chem_shift_value_error .01 stop_ save_