data_1729 #Corrected using PDB structure: 1EPG_ # #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 # 2 S HA 4.52 3.64 # 3 Y HA 4.82 3.20 # 12 G HA 3.85 5.29 # 42 C HA 3.97 4.99 # 45 R HA 4.05 5.10 # 51 E HA 4.10 3.19 # 52 L HA 4.17 4.93 # #The average CS difference between predicted and observed: #HA CA CB CO N HN #-0.13 N/A N/A N/A N/A -0.22 # #bmr1729.str.corr chemical shifts have been re-referenced with the following #offsets (these values have been added to the original bmr1729.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 #+/-0.05 N/A N/A N/A N/A +/-0.11 # #The Correlation Coefficients between predicted and observed #chemical shifts are: #HA CA CB CO N HN #0.469 N/A N/A N/A N/A 0.519 # #The RMSD between predicted and observed* (reference #corrected) chemical shifts are: #HA CA CB CO N HN #0.180 N/A N/A N/A N/A 0.400 # ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Complete Sequence-Specific 1H Nuclear Magnetic Resonance Assignments for Mouse Epidermal Growth Factor ; loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Kohda Daisuke . . 2 Inagaki Fuyuhiko . . stop_ _BMRB_accession_number 1729 _BMRB_flat_file_name bmr1729.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' 306 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 ; Kohda, Daisuke, Inagaki, Fuyuhiko, "Complete Sequence-Specific 1H Nuclear Magnetic Resonance Assignments for Mouse Epidermal Growth Factor," J. Biochem. 103, 554-571 (1988). ; _Citation_title ; Complete Sequence-Specific 1H Nuclear Magnetic Resonance Assignments for Mouse Epidermal Growth Factor ; _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 Kohda Daisuke . . 2 Inagaki Fuyuhiko . . stop_ _Journal_abbreviation 'J. Biochem.' _Journal_volume 103 _Page_first 554 _Page_last 571 _Year 1988 save_ ################################## # Molecular system description # ################################## save_system_epidermal_growth_factor _Saveframe_category molecular_system _Mol_system_name 'epidermal growth factor' _Abbreviation_common ? loop_ _Mol_system_component_name _Mol_label 'epidermal growth factor' $epidermal_growth_factor stop_ _System_physical_state ? _System_oligomer_state ? _System_paramagnetic ? loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Database_entry_details PDB 1EGF "Epidermal Growth Factor (Egf) (Nmr, 16 Structures)" . PDB 1EPG "Epidermal Growth Factor (Egf) In Ph 2 Solution (Nmr, Minimized Mean Structure)" . PDB 1EPH "Epidermal Growth Factor (Egf) In Ph 2 Solution (Nmr, 10 Structures)" . PDB 1EPI "Epidermal Growth Factor (Egf) In Ph 6.8 Solution (Nmr, Minimized Mean Structure)" . PDB 1EPJ "Epidermal Growth Factor (Egf) In Ph 6.8 Solution (Nmr, 5 Structures)" . PDB 3EGF "Epidermal Growth Factor (Egf) (Nmr, 16 Structures After Energy Minimization)" . stop_ save_ ######################## # Monomeric polymers # ######################## save_epidermal_growth_factor _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'epidermal growth factor' _Name_variant alpha _Abbreviation_common ? ############################## # Polymer residue sequence # ############################## _Residue_count 53 _Mol_residue_sequence ; NSYPGCPSSYDGYCLNGGVC MHIESLDSYTCNCVIGYSGD RCQTRDLRWWELR ; loop_ _Residue_seq_code _Residue_label 1 ASN 2 SER 3 TYR 4 PRO 5 GLY 6 CYS 7 PRO 8 SER 9 SER 10 TYR 11 ASP 12 GLY 13 TYR 14 CYS 15 LEU 16 ASN 17 GLY 18 GLY 19 VAL 20 CYS 21 MET 22 HIS 23 ILE 24 GLU 25 SER 26 LEU 27 ASP 28 SER 29 TYR 30 THR 31 CYS 32 ASN 33 CYS 34 VAL 35 ILE 36 GLY 37 TYR 38 SER 39 GLY 40 ASP 41 ARG 42 CYS 43 GLN 44 THR 45 ARG 46 ASP 47 LEU 48 ARG 49 TRP 50 TRP 51 GLU 52 LEU 53 ARG 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 1EGF "Epidermal Growth Factor (Egf) (Nmr, 16Structures)" 100.00 53 100 100 1e-28 PDB 1EPG "Three-Dimensional Nuclear Magnetic ResonanceStructures Of Mouse Epidermal Growth Factor In AcidicAnd Physiological Ph Solutions" 100.00 53 100 100 1e-28 PDB 1EPH "Epidermal Growth Factor (Egf) In Ph 2Solution (Nmr, 10 Structures)" 100.00 53 100 100 1e-28 PDB 1EPI "Epidermal Growth Factor (Egf) In Ph 6.8Solution (Nmr, Minimized Mean Structure)" 100.00 53 100 100 1e-28 PDB 1EPJ "Epidermal Growth Factor (Egf) In Ph 6.8Solution (Nmr, 5 Structures)" 100.00 53 100 100 1e-28 PDB 3EGF "Epidermal Growth Factor (Egf) (Nmr, 16Structures After Energy Minimization)" 100.00 53 100 100 1e-28 EMBL CAA24116.1 "unnamed protein product [Mus musculus]" 147.22 36 100 100 2e-16 EMBL CAA24115.1 "unnamed protein product [Mus musculus]" 4.35 1217 100 100 1e-28 GenBank AAA72815.1 "epidermal growth factor" 98.15 54 100 100 1e-28 GenBank AAA72791.1 "epidermal growth factor protein" 94.64 56 100 100 1e-28 GenBank AAH17681.1 "Egf protein [Mus musculus]" 4.42 1200 100 100 1e-28 GenBank AAA37539.1 prepro-egf 4.35 1217 100 100 1e-28 GenBank AAH60741.1 "Epidermal growth factor [Mus musculus]" 4.35 1217 100 100 1e-28 PIR EGMSMG "epidermal growth factor precursor - mouse" 4.35 1217 100 100 1e-28 PRF 0907234A "epidermal growth factor precursor" 4.54 1168 100 100 1e-28 REF NP_034243.1 "epidermal growth factor [Mus musculus]" 4.35 1217 100 100 1e-28 SWISS-PROT P01132 "EGF_MOUSE Pro-epidermal growth factor precursor(EGF) [Contains: Epidermal growth factor]" 4.35 1217 100 100 1e-28 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Tissue $epidermal_growth_factor . ? 'salivary gland' stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method $epidermal_growth_factor 'not available' 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 2 . na temperature 301 . 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 'epidermal growth factor' 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 ASN HA H 4.39 . 1 2 1 ASN HB2 H 2.90 . 1 3 1 ASN HB3 H 2.90 . 1 4 1 ASN HD21 H 7.02 . 2 5 1 ASN HD22 H 7.60 . 2 6 2 SER H H 8.60 . 1 7 2 SER HA H 4.65 . 1 8 2 SER HB2 H 3.73 . 2 9 2 SER HB3 H 3.77 . 2 10 3 TYR H H 8.36 . 1 11 3 TYR HA H 4.95 . 1 12 3 TYR HB2 H 2.77 . 2 13 3 TYR HB3 H 3.12 . 2 14 3 TYR HD1 H 7.18 . 1 15 3 TYR HD2 H 7.18 . 1 16 3 TYR HE1 H 6.83 . 1 17 3 TYR HE2 H 6.83 . 1 18 4 PRO HA H 4.69 . 1 19 4 PRO HB2 H 2.16 . 2 20 4 PRO HB3 H 2.82 . 2 21 4 PRO HG2 H 2.06 . 2 22 4 PRO HG3 H 2.10 . 2 23 4 PRO HD2 H 3.68 . 2 24 4 PRO HD3 H 3.88 . 2 25 5 GLY H H 8.10 . 1 26 5 GLY HA2 H 4.09 . 2 27 5 GLY HA3 H 4.27 . 2 28 6 CYS H H 8.68 . 1 29 6 CYS HA H 4.55 . 1 30 6 CYS HB2 H 3.01 . 2 31 6 CYS HB3 H 2.85 . 2 32 7 PRO HA H 4.62 . 1 33 7 PRO HB2 H 2.13 . 2 34 7 PRO HB3 H 2.48 . 2 35 7 PRO HG2 H 1.88 . 2 36 7 PRO HG3 H 1.98 . 2 37 7 PRO HD2 H 2.74 . 2 38 7 PRO HD3 H 3.41 . 2 39 8 SER H H 9.03 . 1 40 8 SER HA H 4.14 . 1 41 8 SER HB2 H 3.98 . 1 42 8 SER HB3 H 3.98 . 1 43 9 SER H H 8.02 . 1 44 9 SER HA H 4.19 . 1 45 9 SER HB2 H 3.82 . 1 46 9 SER HB3 H 3.82 . 1 47 10 TYR H H 8.14 . 1 48 10 TYR HA H 4.22 . 1 49 10 TYR HB2 H 2.71 . 2 50 10 TYR HB3 H 3.30 . 2 51 10 TYR HD1 H 6.46 . 1 52 10 TYR HD2 H 6.46 . 1 53 10 TYR HE1 H 6.00 . 1 54 10 TYR HE2 H 6.00 . 1 55 11 ASP H H 7.96 . 1 56 11 ASP HA H 4.54 . 1 57 11 ASP HB2 H 3.00 . 1 58 11 ASP HB3 H 3.00 . 1 59 12 GLY H H 8.82 . 1 60 12 GLY HA2 H 3.93 . 2 61 12 GLY HA3 H 4.03 . 2 62 13 TYR H H 7.98 . 1 63 13 TYR HA H 4.12 . 1 64 13 TYR HB2 H 3.07 . 2 65 13 TYR HB3 H 3.10 . 2 66 13 TYR HD1 H 7.05 . 1 67 13 TYR HD2 H 7.05 . 1 68 13 TYR HE1 H 6.80 . 1 69 13 TYR HE2 H 6.80 . 1 70 14 CYS H H 8.75 . 1 71 14 CYS HA H 4.44 . 1 72 14 CYS HB2 H 2.31 . 2 73 14 CYS HB3 H 2.63 . 2 74 15 LEU H H 8.34 . 1 75 15 LEU HA H 4.32 . 1 76 15 LEU HB2 H 1.32 . 2 77 15 LEU HB3 H 1.66 . 2 78 15 LEU HG H 1.66 . 1 79 15 LEU HD1 H 0.77 . 1 80 15 LEU HD2 H 0.77 . 1 81 16 ASN H H 8.99 . 1 82 16 ASN HA H 4.07 . 1 83 16 ASN HB2 H 1.42 . 2 84 16 ASN HB3 H 2.02 . 2 85 16 ASN HD21 H 7.24 . 2 86 16 ASN HD22 H 8.06 . 2 87 17 GLY H H 8.74 . 1 88 17 GLY HA2 H 3.64 . 2 89 17 GLY HA3 H 4.06 . 2 90 18 GLY H H 7.50 . 1 91 18 GLY HA2 H 3.47 . 2 92 18 GLY HA3 H 4.37 . 2 93 19 VAL H H 8.16 . 1 94 19 VAL HA H 4.38 . 1 95 19 VAL HB H 2.04 . 1 96 19 VAL HG1 H 1.05 . 1 97 19 VAL HG2 H 1.05 . 1 98 20 CYS H H 8.88 . 1 99 20 CYS HA H 5.05 . 1 100 20 CYS HB2 H 3.17 . 2 101 20 CYS HB3 H 3.41 . 2 102 21 MET H H 9.62 . 1 103 21 MET HA H 5.02 . 1 104 21 MET HB2 H 1.93 . 2 105 21 MET HB3 H 1.97 . 2 106 21 MET HG2 H 2.49 . 1 107 21 MET HG3 H 2.49 . 1 108 21 MET HE H 1.92 . 1 109 22 HIS H H 8.82 . 1 110 22 HIS HA H 5.20 . 1 111 22 HIS HB2 H 2.97 . 2 112 22 HIS HB3 H 3.25 . 2 113 22 HIS HD2 H 6.58 . 1 114 22 HIS HE1 H 8.56 . 1 115 23 ILE H H 8.40 . 1 116 23 ILE HA H 4.12 . 1 117 23 ILE HB H 1.84 . 1 118 23 ILE HG12 H 1.31 . 2 119 23 ILE HG13 H 0.98 . 2 120 23 ILE HG2 H 0.84 . 1 121 23 ILE HD1 H 0.70 . 1 122 24 GLU H H 8.52 . 1 123 24 GLU HA H 3.72 . 1 124 24 GLU HB2 H 2.02 . 2 125 24 GLU HB3 H 2.06 . 2 126 24 GLU HG2 H 2.40 . 2 127 24 GLU HG3 H 2.43 . 2 128 25 SER H H 8.53 . 1 129 25 SER HA H 4.16 . 1 130 25 SER HB2 H 3.90 . 2 131 25 SER HB3 H 3.93 . 2 132 26 LEU H H 6.95 . 1 133 26 LEU HA H 4.46 . 1 134 26 LEU HB2 H 1.48 . 2 135 26 LEU HB3 H 1.59 . 2 136 26 LEU HG H 1.57 . 1 137 26 LEU HD1 H 0.84 . 2 138 26 LEU HD2 H 0.88 . 2 139 27 ASP H H 8.06 . 1 140 27 ASP HA H 4.40 . 1 141 27 ASP HB2 H 2.78 . 2 142 27 ASP HB3 H 3.23 . 2 143 28 SER H H 7.23 . 1 144 28 SER HA H 4.65 . 1 145 28 SER HB2 H 3.56 . 2 146 28 SER HB3 H 3.67 . 2 147 29 TYR H H 8.44 . 1 148 29 TYR HA H 5.28 . 1 149 29 TYR HB2 H 2.32 . 2 150 29 TYR HB3 H 2.53 . 2 151 29 TYR HD1 H 6.84 . 1 152 29 TYR HD2 H 6.84 . 1 153 29 TYR HE1 H 6.28 . 1 154 29 TYR HE2 H 6.28 . 1 155 30 THR H H 9.03 . 1 156 30 THR HA H 5.05 . 1 157 30 THR HB H 4.15 . 1 158 30 THR HG2 H 1.12 . 1 159 31 CYS H H 8.65 . 1 160 31 CYS HA H 5.34 . 1 161 31 CYS HB2 H 2.64 . 2 162 31 CYS HB3 H 2.80 . 2 163 32 ASN H H 9.44 . 1 164 32 ASN HA H 5.05 . 1 165 32 ASN HB2 H 2.81 . 2 166 32 ASN HB3 H 3.02 . 2 167 32 ASN HD21 H 6.83 . 2 168 32 ASN HD22 H 7.26 . 2 169 33 CYS H H 8.89 . 1 170 33 CYS HA H 4.80 . 1 171 33 CYS HB2 H 2.68 . 2 172 33 CYS HB3 H 3.31 . 2 173 34 VAL H H 8.42 . 1 174 34 VAL HA H 4.09 . 1 175 34 VAL HB H 2.12 . 1 176 34 VAL HG1 H 1.05 . 2 177 34 VAL HG2 H 1.20 . 2 178 35 ILE H H 7.98 . 1 179 35 ILE HA H 3.81 . 1 180 35 ILE HB H 1.72 . 1 181 35 ILE HG12 H 1.07 . 2 182 35 ILE HG13 H 1.40 . 2 183 35 ILE HG2 H 0.75 . 1 184 35 ILE HD1 H 0.86 . 1 185 36 GLY H H 8.16 . 1 186 36 GLY HA2 H 3.20 . 2 187 36 GLY HA3 H 4.16 . 2 188 37 TYR H H 8.22 . 1 189 37 TYR HA H 5.41 . 1 190 37 TYR HB2 H 2.97 . 2 191 37 TYR HB3 H 3.01 . 2 192 37 TYR HD1 H 6.90 . 1 193 37 TYR HD2 H 6.90 . 1 194 37 TYR HE1 H 6.67 . 1 195 37 TYR HE2 H 6.67 . 1 196 38 SER H H 9.38 . 1 197 38 SER HA H 4.86 . 1 198 38 SER HB2 H 3.96 . 2 199 38 SER HB3 H 4.00 . 2 200 39 GLY H H 8.16 . 1 201 39 GLY HA2 H 3.85 . 2 202 39 GLY HA3 H 4.84 . 2 203 40 ASP H H 9.30 . 1 204 40 ASP HA H 4.45 . 1 205 40 ASP HB2 H 3.18 . 1 206 40 ASP HB3 H 3.18 . 1 207 41 ARG H H 8.81 . 1 208 41 ARG HA H 4.72 . 1 209 41 ARG HB2 H 1.08 . 2 210 41 ARG HB3 H 1.30 . 2 211 41 ARG HG2 H 0.49 . 2 212 41 ARG HG3 H 2.37 . 2 213 41 ARG HD2 H 2.81 . 2 214 41 ARG HD3 H 2.96 . 2 215 41 ARG HE H 7.57 . 1 216 42 CYS H H 7.30 . 1 217 42 CYS HA H 4.10 . 1 218 42 CYS HB2 H 3.20 . 2 219 42 CYS HB3 H 3.64 . 2 220 43 GLN H H 10.00 . 1 221 43 GLN HA H 4.05 . 1 222 43 GLN HB2 H 1.83 . 2 223 43 GLN HB3 H 2.23 . 2 224 43 GLN HG2 H 2.62 . 2 225 43 GLN HG3 H 2.68 . 2 226 43 GLN HE21 H 6.84 . 2 227 43 GLN HE22 H 7.67 . 2 228 44 THR H H 8.88 . 1 229 44 THR HA H 4.46 . 1 230 44 THR HB H 3.88 . 1 231 44 THR HG2 H 1.11 . 1 232 45 ARG H H 8.76 . 1 233 45 ARG HA H 4.18 . 1 234 45 ARG HB2 H 1.64 . 2 235 45 ARG HB3 H 1.69 . 2 236 45 ARG HG2 H 1.22 . 1 237 45 ARG HG3 H 1.22 . 1 238 45 ARG HD2 H 2.73 . 1 239 45 ARG HD3 H 2.73 . 1 240 45 ARG HE H 6.68 . 1 241 45 ARG HH11 H 6.32 . 1 242 45 ARG HH12 H 6.32 . 1 243 45 ARG HH21 H 6.32 . 1 244 45 ARG HH22 H 6.32 . 1 245 46 ASP H H 8.56 . 1 246 46 ASP HA H 4.69 . 1 247 46 ASP HB2 H 2.62 . 2 248 46 ASP HB3 H 2.86 . 2 249 47 LEU H H 8.20 . 1 250 47 LEU HA H 4.22 . 1 251 47 LEU HB2 H 1.54 . 1 252 47 LEU HB3 H 1.54 . 1 253 47 LEU HG H 1.66 . 1 254 47 LEU HD1 H 0.86 . 2 255 47 LEU HD2 H 0.95 . 2 256 48 ARG H H 8.20 . 1 257 48 ARG HA H 3.85 . 1 258 48 ARG HB2 H 1.52 . 1 259 48 ARG HB3 H 1.52 . 1 260 48 ARG HG2 H 1.44 . 1 261 48 ARG HG3 H 1.44 . 1 262 48 ARG HD2 H 3.10 . 1 263 48 ARG HD3 H 3.10 . 1 264 48 ARG HE H 7.11 . 1 265 49 TRP H H 7.59 . 1 266 49 TRP HA H 4.24 . 1 267 49 TRP HB2 H 3.17 . 2 268 49 TRP HB3 H 3.27 . 2 269 49 TRP HD1 H 7.01 . 1 270 49 TRP HE1 H 10.09 . 1 271 49 TRP HE3 H 7.07 . 1 272 49 TRP HZ2 H 7.41 . 1 273 49 TRP HZ3 H 6.70 . 1 274 49 TRP HH2 H 7.12 . 1 275 50 TRP H H 7.16 . 1 276 50 TRP HA H 4.27 . 1 277 50 TRP HB2 H 2.89 . 2 278 50 TRP HB3 H 3.12 . 2 279 50 TRP HD1 H 7.10 . 1 280 50 TRP HE1 H 10.00 . 1 281 50 TRP HE3 H 7.16 . 1 282 50 TRP HZ2 H 7.43 . 1 283 50 TRP HZ3 H 7.10 . 1 284 50 TRP HH2 H 7.24 . 1 285 51 GLU H H 7.65 . 1 286 51 GLU HA H 4.23 . 1 287 51 GLU HB2 H 1.87 . 2 288 51 GLU HB3 H 2.03 . 2 289 51 GLU HG2 H 2.18 . 2 290 51 GLU HG3 H 2.27 . 2 291 52 LEU H H 7.66 . 1 292 52 LEU HA H 4.30 . 1 293 52 LEU HB2 H 1.60 . 1 294 52 LEU HB3 H 1.60 . 1 295 52 LEU HG H 1.64 . 1 296 52 LEU HD1 H 0.85 . 2 297 52 LEU HD2 H 0.89 . 2 298 53 ARG H H 7.99 . 1 299 53 ARG HA H 4.29 . 1 300 53 ARG HB2 H 1.87 . 2 301 53 ARG HB3 H 1.70 . 2 302 53 ARG HG2 H 1.52 . 1 303 53 ARG HG3 H 1.52 . 1 304 53 ARG HD2 H 2.99 . 1 305 53 ARG HD3 H 2.99 . 1 306 53 ARG HE H 7.03 . 1 stop_ loop_ _Chem_shift_value_error .01 stop_ save_