data_5459 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; High precision NMR structure of RING-H2 finger domain of EL5, a rice gene in response to N-acetylchitooligosaccahride elicitor ; _BMRB_accession_number 5459 _BMRB_flat_file_name bmr5459.str _Entry_type original _Submission_date 2002-07-11 _Accession_date 2002-07-12 _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 Yamazaki Toshimasa . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 287 "13C chemical shifts" 233 "15N chemical shifts" 51 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2003-06-12 original author . stop_ _Original_release_date 2003-06-12 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; High Precision NMR Structure and Function of the RING-H2 Finger Domain of EL5, a Rice Protein whose Expression is Increased upon Exposure to Pathogen-derived Oligosaccahrides ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code 22590463 _PubMed_ID 12588869 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Katoh Shizue . . 2 Hong Cui . . 3 Tsunoda Yuki . . 4 Murata Katsuyoshi . . 5 Takai Ryota . . 6 Minami Eiichi . . 7 Yamazaki Toshimasa . . 8 Katoh Etsuko . . stop_ _Journal_abbreviation 'J. Biol. Chem.' _Journal_volume 278 _Journal_issue 17 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 15341 _Page_last 15348 _Year 2003 _Details . save_ ################################## # Molecular system description # ################################## save_EL5_RING-H2_finger_domain _Saveframe_category molecular_system _Mol_system_name 'EL5 RING-H2 finger domain' _Abbreviation_common 'EL5 RING-H2 finger domain' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Ubiquitine-conjugate enzyme binding domain' $RING_H2_finger_domain stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state oligomer _System_paramagnetic no _System_thiol_state 'not reported' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_RING_H2_finger_domain _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'RING-H2 finger domain' _Abbreviation_common 'RING-H2 finger domain' _Molecular_mass . _Mol_thiol_state 'not reported' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 55 _Mol_residue_sequence ; AMDDGVECAVCLAELEDGEE ARFLPRCGHGFHAECVDMWL GSHSTCPLCRLTVVV ; loop_ _Residue_seq_code _Residue_label 1 ALA 2 MET 3 ASP 4 ASP 5 GLY 6 VAL 7 GLU 8 CYS 9 ALA 10 VAL 11 CYS 12 LEU 13 ALA 14 GLU 15 LEU 16 GLU 17 ASP 18 GLY 19 GLU 20 GLU 21 ALA 22 ARG 23 PHE 24 LEU 25 PRO 26 ARG 27 CYS 28 GLY 29 HIS 30 GLY 31 PHE 32 HIS 33 ALA 34 GLU 35 CYS 36 VAL 37 ASP 38 MET 39 TRP 40 LEU 41 GLY 42 SER 43 HIS 44 SER 45 THR 46 CYS 47 PRO 48 LEU 49 CYS 50 ARG 51 LEU 52 THR 53 VAL 54 VAL 55 VAL stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2014-10-26 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 1IYM "Ring-H2 Finger Domain Of El5" 100.00 55 100.00 100.00 1.01e-30 DBJ BAA96874 "EL5 [Oryza sativa Japonica Group]" 96.36 325 100.00 100.00 1.34e-29 DBJ BAD16530 "EL5 [Oryza sativa Japonica Group]" 96.36 325 100.00 100.00 1.34e-29 DBJ BAD16534 "EL5 [Oryza sativa Japonica Group]" 96.36 325 100.00 100.00 1.34e-29 DBJ BAD16538 "EL5 [Oryza sativa Japonica Group]" 96.36 325 100.00 100.00 1.34e-29 DBJ BAD16542 "EL5 [Oryza sativa Japonica Group]" 96.36 325 100.00 100.00 1.34e-29 GB EAZ23461 "hypothetical protein OsJ_07155 [Oryza sativa Japonica Group]" 96.36 314 100.00 100.00 1.10e-29 REF NP_001047149 "Os02g0559800 [Oryza sativa Japonica Group]" 96.36 325 100.00 100.00 1.34e-29 SP Q9LRB7 "RecName: Full=E3 ubiquitin-protein ligase EL5; AltName: Full=Protein ELICITOR 5 [Oryza sativa Japonica Group]" 96.36 325 100.00 100.00 1.34e-29 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $RING_H2_finger_domain Rice 4530 Eukaryota Viridiplantae Olyza sativa stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $RING_H2_finger_domain 'recombinant technology' . . . . . 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 $RING_H2_finger_domain . mM '[U-13C; U-15N]' stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_list _Saveframe_category NMR_spectrometer _Manufacturer unknown _Model unknown _Field_strength 0 _Details 'spectrometer information not available' save_ ############################# # NMR applied experiments # ############################# save_NMR_applied_experiment_1 _Saveframe_category NMR_applied_experiment _Experiment_name NMR_applied_experiment _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_Ex-cond_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 7.0 0.1 n/a temperature 308 0.2 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _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 _Indirect_shift_ratio_citation_label _Correction_value_citation_label DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 $entry_citation $entry_citation DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 $entry_citation $entry_citation DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 $entry_citation $entry_citation 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_shift_set_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $Ex-cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'Ubiquitine-conjugate enzyme binding domain' _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 . 1 ALA HA H 4.19 . 1 2 . 1 ALA HB H 1.63 . 1 3 . 1 ALA C C 174.17 . 1 4 . 1 ALA CA C 51.84 . 1 5 . 1 ALA CB C 19.40 . 1 6 . 2 MET HA H 4.52 . 1 7 . 2 MET HB2 H 2.19 . 2 8 . 2 MET HB3 H 2.11 . 2 9 . 2 MET HG2 H 2.67 . 2 10 . 2 MET HG3 H 2.63 . 2 11 . 2 MET C C 176.01 . 1 12 . 2 MET CA C 56.36 . 1 13 . 2 MET CB C 32.73 . 1 14 . 2 MET CG C 32.20 . 1 15 . 3 ASP H H 8.40 . 1 16 . 3 ASP HA H 4.65 . 1 17 . 3 ASP HB2 H 2.71 . 1 18 . 3 ASP HB3 H 2.77 . 1 19 . 3 ASP C C 175.84 . 1 20 . 3 ASP CA C 54.83 . 1 21 . 3 ASP CB C 41.05 . 1 22 . 3 ASP N N 119.78 . 1 23 . 4 ASP H H 8.10 . 1 24 . 4 ASP HA H 4.70 . 1 25 . 4 ASP HB2 H 2.76 . 1 26 . 4 ASP HB3 H 2.76 . 1 27 . 4 ASP C C 176.57 . 1 28 . 4 ASP CA C 54.57 . 1 29 . 4 ASP CB C 41.41 . 1 30 . 4 ASP N N 118.80 . 1 31 . 5 GLY H H 8.21 . 1 32 . 5 GLY HA2 H 4.10 . 2 33 . 5 GLY HA3 H 3.98 . 2 34 . 5 GLY C C 173.68 . 1 35 . 5 GLY CA C 45.65 . 1 36 . 5 GLY N N 108.63 . 1 37 . 6 VAL H H 8.23 . 1 38 . 6 VAL HA H 4.20 . 1 39 . 6 VAL HB H 2.11 . 1 40 . 6 VAL HG1 H 0.88 . 1 41 . 6 VAL HG2 H 1.00 . 1 42 . 6 VAL C C 174.77 . 1 43 . 6 VAL CA C 62.07 . 1 44 . 6 VAL CB C 33.42 . 1 45 . 6 VAL CG1 C 21.51 . 1 46 . 6 VAL CG2 C 20.97 . 1 47 . 6 VAL N N 119.73 . 1 48 . 7 GLU H H 8.30 . 1 49 . 7 GLU HA H 4.38 . 1 50 . 7 GLU HB2 H 1.79 . 2 51 . 7 GLU HB3 H 1.75 . 2 52 . 7 GLU HG2 H 1.96 . 1 53 . 7 GLU HG3 H 1.96 . 1 54 . 7 GLU C C 175.29 . 1 55 . 7 GLU CA C 55.07 . 1 56 . 7 GLU CB C 31.69 . 1 57 . 7 GLU CG C 36.18 . 1 58 . 7 GLU CD C 182.77 . 1 59 . 7 GLU N N 124.31 . 1 60 . 8 CYS H H 8.43 . 1 61 . 8 CYS HA H 4.37 . 1 62 . 8 CYS HB2 H 2.38 . 1 63 . 8 CYS HB3 H 3.67 . 1 64 . 8 CYS C C 177.30 . 1 65 . 8 CYS CA C 58.98 . 1 66 . 8 CYS CB C 31.22 . 1 67 . 8 CYS N N 126.17 . 1 68 . 9 ALA H H 8.69 . 1 69 . 9 ALA HA H 4.26 . 1 70 . 9 ALA HB H 1.39 . 1 71 . 9 ALA C C 177.06 . 1 72 . 9 ALA CA C 53.92 . 1 73 . 9 ALA CB C 19.42 . 1 74 . 9 ALA N N 130.68 . 1 75 . 10 VAL H H 8.42 . 1 76 . 10 VAL HA H 3.86 . 1 77 . 10 VAL HB H 2.21 . 1 78 . 10 VAL HG1 H 1.12 . 1 79 . 10 VAL HG2 H 0.63 . 1 80 . 10 VAL C C 176.19 . 1 81 . 10 VAL CA C 65.29 . 1 82 . 10 VAL CB C 32.82 . 1 83 . 10 VAL CG1 C 20.78 . 1 84 . 10 VAL CG2 C 22.17 . 1 85 . 10 VAL N N 116.69 . 1 86 . 11 CYS H H 7.73 . 1 87 . 11 CYS HA H 4.89 . 1 88 . 11 CYS HB2 H 3.34 . 1 89 . 11 CYS HB3 H 3.12 . 1 90 . 11 CYS C C 176.08 . 1 91 . 11 CYS CA C 58.73 . 1 92 . 11 CYS CB C 31.57 . 1 93 . 11 CYS N N 116.31 . 1 94 . 12 LEU H H 8.35 . 1 95 . 12 LEU HA H 4.11 . 1 96 . 12 LEU HB2 H 2.21 . 1 97 . 12 LEU HB3 H 1.72 . 1 98 . 12 LEU HG H 1.47 . 1 99 . 12 LEU HD1 H 0.95 . 1 100 . 12 LEU HD2 H 0.86 . 1 101 . 12 LEU C C 175.10 . 1 102 . 12 LEU CA C 56.93 . 1 103 . 12 LEU CB C 38.21 . 1 104 . 12 LEU CG C 27.35 . 1 105 . 12 LEU CD1 C 25.30 . 1 106 . 12 LEU CD2 C 22.79 . 1 107 . 12 LEU N N 119.60 . 1 108 . 13 ALA H H 8.46 . 1 109 . 13 ALA HA H 4.87 . 1 110 . 13 ALA HB H 1.71 . 1 111 . 13 ALA C C 177.18 . 1 112 . 13 ALA CA C 50.97 . 1 113 . 13 ALA CB C 21.73 . 1 114 . 13 ALA N N 122.93 . 1 115 . 14 GLU H H 8.54 . 1 116 . 14 GLU HA H 4.36 . 1 117 . 14 GLU HB2 H 2.03 . 1 118 . 14 GLU HB3 H 2.03 . 1 119 . 14 GLU HG2 H 2.27 . 1 120 . 14 GLU HG3 H 2.39 . 1 121 . 14 GLU C C 176.71 . 1 122 . 14 GLU CA C 57.21 . 1 123 . 14 GLU CB C 30.49 . 1 124 . 14 GLU CG C 36.53 . 1 125 . 14 GLU CD C 183.24 . 1 126 . 14 GLU N N 119.49 . 1 127 . 15 LEU H H 8.43 . 1 128 . 15 LEU HA H 4.37 . 1 129 . 15 LEU HB2 H 1.27 . 1 130 . 15 LEU HB3 H 1.56 . 1 131 . 15 LEU HG H 1.28 . 1 132 . 15 LEU HD1 H 0.39 . 1 133 . 15 LEU HD2 H 0.32 . 1 134 . 15 LEU C C 176.49 . 1 135 . 15 LEU CA C 55.04 . 1 136 . 15 LEU CB C 41.81 . 1 137 . 15 LEU CG C 27.78 . 1 138 . 15 LEU CD1 C 24.34 . 1 139 . 15 LEU CD2 C 24.36 . 1 140 . 15 LEU N N 125.27 . 1 141 . 16 GLU H H 8.94 . 1 142 . 16 GLU HA H 4.51 . 1 143 . 16 GLU HB2 H 1.94 . 1 144 . 16 GLU HB3 H 2.21 . 1 145 . 16 GLU HG2 H 2.43 . 2 146 . 16 GLU HG3 H 2.34 . 2 147 . 16 GLU C C 176.92 . 1 148 . 16 GLU CA C 55.83 . 1 149 . 16 GLU CB C 31.26 . 1 150 . 16 GLU CG C 36.35 . 1 151 . 16 GLU CD C 183.83 . 1 152 . 16 GLU N N 124.53 . 1 153 . 17 ASP H H 8.57 . 1 154 . 17 ASP HA H 4.56 . 1 155 . 17 ASP HB2 H 2.75 . 1 156 . 17 ASP HB3 H 2.75 . 1 157 . 17 ASP C C 177.23 . 1 158 . 17 ASP CA C 55.86 . 1 159 . 17 ASP CB C 41.11 . 1 160 . 17 ASP CG C 179.81 . 1 161 . 17 ASP N N 121.48 . 1 162 . 18 GLY H H 8.57 . 1 163 . 18 GLY HA2 H 3.90 . 1 164 . 18 GLY HA3 H 4.30 . 1 165 . 18 GLY C C 174.97 . 1 166 . 18 GLY CA C 45.64 . 1 167 . 18 GLY N N 111.33 . 1 168 . 19 GLU H H 8.01 . 1 169 . 19 GLU HA H 4.51 . 1 170 . 19 GLU HB2 H 2.36 . 1 171 . 19 GLU HB3 H 2.18 . 1 172 . 19 GLU HG2 H 2.45 . 2 173 . 19 GLU HG3 H 2.38 . 2 174 . 19 GLU C C 176.74 . 1 175 . 19 GLU CA C 56.45 . 1 176 . 19 GLU CB C 30.89 . 1 177 . 19 GLU CG C 37.05 . 1 178 . 19 GLU CD C 183.63 . 1 179 . 19 GLU N N 119.72 . 1 180 . 20 GLU H H 8.68 . 1 181 . 20 GLU HA H 4.44 . 1 182 . 20 GLU HB2 H 2.15 . 1 183 . 20 GLU HB3 H 2.23 . 1 184 . 20 GLU HG2 H 2.47 . 1 185 . 20 GLU HG3 H 2.36 . 1 186 . 20 GLU C C 175.90 . 1 187 . 20 GLU CA C 57.00 . 1 188 . 20 GLU CB C 30.02 . 1 189 . 20 GLU CG C 36.35 . 1 190 . 20 GLU CD C 183.77 . 1 191 . 20 GLU N N 121.98 . 1 192 . 21 ALA H H 8.40 . 1 193 . 21 ALA HA H 4.84 . 1 194 . 21 ALA HB H 1.22 . 1 195 . 21 ALA C C 176.66 . 1 196 . 21 ALA CA C 51.27 . 1 197 . 21 ALA CB C 21.76 . 1 198 . 21 ALA N N 128.46 . 1 199 . 22 ARG H H 8.66 . 1 200 . 22 ARG HA H 4.73 . 1 201 . 22 ARG HB2 H 1.66 . 1 202 . 22 ARG HB3 H 1.74 . 1 203 . 22 ARG HG2 H 1.73 . 1 204 . 22 ARG HG3 H 1.60 . 1 205 . 22 ARG HD2 H 3.36 . 2 206 . 22 ARG HD3 H 3.26 . 2 207 . 22 ARG C C 173.91 . 1 208 . 22 ARG CA C 54.65 . 1 209 . 22 ARG CB C 32.84 . 1 210 . 22 ARG CG C 27.10 . 1 211 . 22 ARG CD C 42.94 . 1 212 . 22 ARG N N 119.96 . 1 213 . 23 PHE H H 8.70 . 1 214 . 23 PHE HA H 5.32 . 1 215 . 23 PHE HB2 H 2.88 . 1 216 . 23 PHE HB3 H 2.75 . 1 217 . 23 PHE HD1 H 7.23 . 1 218 . 23 PHE HD2 H 7.23 . 1 219 . 23 PHE HE1 H 7.31 . 1 220 . 23 PHE HE2 H 7.31 . 1 221 . 23 PHE HZ H 7.25 . 1 222 . 23 PHE C C 176.63 . 1 223 . 23 PHE CA C 56.38 . 1 224 . 23 PHE CB C 40.91 . 1 225 . 23 PHE CG C 132.19 . 1 226 . 23 PHE CD1 C 131.24 . 3 227 . 23 PHE CD2 C 132.19 . 3 228 . 23 PHE CE1 C 132.19 . 3 229 . 23 PHE CE2 C 129.82 . 3 230 . 23 PHE N N 122.77 . 1 231 . 24 LEU H H 8.94 . 1 232 . 24 LEU HA H 4.87 . 1 233 . 24 LEU HB2 H 2.51 . 1 234 . 24 LEU HB3 H 1.97 . 1 235 . 24 LEU HG H 2.16 . 1 236 . 24 LEU HD1 H 1.31 . 1 237 . 24 LEU HD2 H 1.04 . 1 238 . 24 LEU C C 176.00 . 1 239 . 24 LEU CA C 52.71 . 1 240 . 24 LEU CB C 40.32 . 1 241 . 24 LEU CG C 27.51 . 1 242 . 24 LEU CD1 C 26.56 . 1 243 . 24 LEU CD2 C 22.83 . 1 244 . 24 LEU N N 126.00 . 1 245 . 25 PRO HA H 4.43 . 1 246 . 25 PRO HB2 H 2.12 . 1 247 . 25 PRO HB3 H 2.49 . 1 248 . 25 PRO HG2 H 2.25 . 1 249 . 25 PRO HG3 H 2.25 . 1 250 . 25 PRO HD2 H 4.04 . 1 251 . 25 PRO HD3 H 4.01 . 1 252 . 25 PRO C C 178.90 . 1 253 . 25 PRO CA C 64.83 . 1 254 . 25 PRO CB C 32.56 . 1 255 . 25 PRO CG C 27.76 . 1 256 . 25 PRO CD C 51.02 . 1 257 . 26 ARG H H 9.09 . 1 258 . 26 ARG HA H 4.18 . 1 259 . 26 ARG HB2 H 2.10 . 1 260 . 26 ARG HB3 H 2.03 . 1 261 . 26 ARG HG2 H 1.67 . 1 262 . 26 ARG HG3 H 1.89 . 1 263 . 26 ARG HD2 H 3.36 . 2 264 . 26 ARG HD3 H 3.32 . 2 265 . 26 ARG C C 177.08 . 1 266 . 26 ARG CA C 59.63 . 1 267 . 26 ARG CB C 30.24 . 1 268 . 26 ARG CG C 27.90 . 1 269 . 26 ARG CD C 43.60 . 1 270 . 26 ARG N N 115.59 . 1 271 . 27 CYS H H 7.39 . 1 272 . 27 CYS HA H 4.77 . 1 273 . 27 CYS HB2 H 2.75 . 1 274 . 27 CYS HB3 H 2.87 . 1 275 . 27 CYS C C 176.24 . 1 276 . 27 CYS CA C 57.00 . 1 277 . 27 CYS CB C 33.53 . 1 278 . 27 CYS N N 112.05 . 1 279 . 28 GLY H H 8.10 . 1 280 . 28 GLY HA2 H 3.92 . 1 281 . 28 GLY HA3 H 4.02 . 1 282 . 28 GLY C C 174.31 . 1 283 . 28 GLY CA C 46.36 . 1 284 . 28 GLY N N 111.66 . 1 285 . 29 HIS H H 8.07 . 1 286 . 29 HIS HA H 4.67 . 1 287 . 29 HIS HB2 H 3.58 . 1 288 . 29 HIS HB3 H 2.93 . 1 289 . 29 HIS HD1 H 7.38 . 1 290 . 29 HIS HD2 H 7.38 . 1 291 . 29 HIS HE1 H 7.97 . 1 292 . 29 HIS HE2 H 7.97 . 1 293 . 29 HIS C C 173.92 . 1 294 . 29 HIS CA C 59.47 . 1 295 . 29 HIS CB C 31.53 . 1 296 . 29 HIS CD2 C 119.19 . 1 297 . 29 HIS CE1 C 138.08 . 1 298 . 29 HIS N N 121.40 . 1 299 . 30 GLY H H 8.21 . 1 300 . 30 GLY HA2 H 4.70 . 1 301 . 30 GLY HA3 H 2.62 . 1 302 . 30 GLY C C 171.39 . 1 303 . 30 GLY CA C 44.54 . 1 304 . 30 GLY N N 107.77 . 1 305 . 31 PHE H H 7.86 . 1 306 . 31 PHE HA H 5.05 . 1 307 . 31 PHE HB2 H 2.41 . 1 308 . 31 PHE HB3 H 3.63 . 1 309 . 31 PHE HD1 H 7.38 . 1 310 . 31 PHE HD2 H 7.38 . 1 311 . 31 PHE HE1 H 7.18 . 1 312 . 31 PHE HE2 H 7.18 . 1 313 . 31 PHE HZ H 7.40 . 1 314 . 31 PHE C C 176.25 . 1 315 . 31 PHE CA C 56.01 . 1 316 . 31 PHE CB C 45.34 . 1 317 . 31 PHE CD1 C 132.71 . 1 318 . 31 PHE CD2 C 132.71 . 1 319 . 31 PHE CE1 C 131.12 . 1 320 . 31 PHE CE2 C 131.12 . 1 321 . 31 PHE CZ C 129.84 . 1 322 . 31 PHE N N 114.23 . 1 323 . 32 HIS H H 8.45 . 1 324 . 32 HIS HA H 4.69 . 1 325 . 32 HIS HB2 H 4.09 . 1 326 . 32 HIS HB3 H 3.75 . 1 327 . 32 HIS HD1 H 7.39 . 1 328 . 32 HIS HD2 H 7.39 . 1 329 . 32 HIS HE1 H 7.43 . 1 330 . 32 HIS HE2 H 7.43 . 1 331 . 32 HIS C C 177.89 . 1 332 . 32 HIS CA C 59.88 . 1 333 . 32 HIS CB C 30.96 . 1 334 . 32 HIS CD2 C 119.30 . 1 335 . 32 HIS CE1 C 138.36 . 1 336 . 32 HIS N N 118.66 . 1 337 . 33 ALA H H 9.16 . 1 338 . 33 ALA HA H 3.97 . 1 339 . 33 ALA HB H 1.50 . 1 340 . 33 ALA C C 179.40 . 1 341 . 33 ALA CA C 56.44 . 1 342 . 33 ALA CB C 18.10 . 1 343 . 33 ALA N N 128.18 . 1 344 . 34 GLU H H 9.33 . 1 345 . 34 GLU HA H 4.26 . 1 346 . 34 GLU HB2 H 2.18 . 1 347 . 34 GLU HB3 H 2.18 . 1 348 . 34 GLU HG2 H 2.48 . 1 349 . 34 GLU HG3 H 2.48 . 1 350 . 34 GLU C C 179.22 . 1 351 . 34 GLU CA C 59.51 . 1 352 . 34 GLU CB C 29.53 . 1 353 . 34 GLU CG C 36.72 . 1 354 . 34 GLU CD C 184.02 . 1 355 . 34 GLU N N 114.63 . 1 356 . 35 CYS H H 6.98 . 1 357 . 35 CYS HA H 4.27 . 1 358 . 35 CYS HB2 H 3.35 . 1 359 . 35 CYS HB3 H 2.93 . 1 360 . 35 CYS C C 177.42 . 1 361 . 35 CYS CA C 63.59 . 1 362 . 35 CYS CB C 29.69 . 1 363 . 35 CYS N N 117.05 . 1 364 . 36 VAL H H 7.92 . 1 365 . 36 VAL HA H 4.06 . 1 366 . 36 VAL HB H 1.89 . 1 367 . 36 VAL HG1 H 1.02 . 1 368 . 36 VAL HG2 H 0.78 . 1 369 . 36 VAL C C 176.28 . 1 370 . 36 VAL CA C 64.62 . 1 371 . 36 VAL CB C 32.51 . 1 372 . 36 VAL CG1 C 20.98 . 1 373 . 36 VAL CG2 C 23.41 . 1 374 . 36 VAL N N 117.32 . 1 375 . 37 ASP H H 8.29 . 1 376 . 37 ASP HA H 4.53 . 1 377 . 37 ASP HB2 H 2.84 . 1 378 . 37 ASP HB3 H 2.69 . 1 379 . 37 ASP C C 179.53 . 1 380 . 37 ASP CA C 57.98 . 1 381 . 37 ASP CB C 40.27 . 1 382 . 37 ASP CG C 179.20 . 1 383 . 37 ASP N N 123.00 . 1 384 . 38 MET H H 7.91 . 1 385 . 38 MET HA H 4.53 . 1 386 . 38 MET HB2 H 2.38 . 1 387 . 38 MET HB3 H 2.38 . 1 388 . 38 MET HG2 H 2.87 . 2 389 . 38 MET HG3 H 2.69 . 2 390 . 38 MET C C 179.60 . 1 391 . 38 MET CA C 58.59 . 1 392 . 38 MET CB C 32.00 . 1 393 . 38 MET CG C 32.05 . 1 394 . 38 MET N N 118.23 . 1 395 . 39 TRP H H 8.37 . 1 396 . 39 TRP HA H 4.46 . 1 397 . 39 TRP HB2 H 3.45 . 1 398 . 39 TRP HB3 H 3.41 . 1 399 . 39 TRP C C 179.19 . 1 400 . 39 TRP CA C 60.83 . 1 401 . 39 TRP CB C 29.76 . 1 402 . 39 TRP N N 122.91 . 1 403 . 39 TRP NE1 N 129.49 . 1 404 . 40 LEU H H 8.84 . 1 405 . 40 LEU HA H 4.79 . 1 406 . 40 LEU HB2 H 2.03 . 1 407 . 40 LEU HB3 H 1.79 . 1 408 . 40 LEU HG H 2.08 . 1 409 . 40 LEU HD1 H 1.01 . 1 410 . 40 LEU HD2 H 0.99 . 1 411 . 40 LEU C C 178.02 . 1 412 . 40 LEU CA C 56.28 . 1 413 . 40 LEU CB C 41.03 . 1 414 . 40 LEU CG C 27.33 . 1 415 . 40 LEU CD1 C 26.08 . 1 416 . 40 LEU CD2 C 22.71 . 1 417 . 40 LEU N N 118.29 . 1 418 . 41 GLY H H 7.82 . 1 419 . 41 GLY HA2 H 4.01 . 1 420 . 41 GLY HA3 H 4.10 . 1 421 . 41 GLY C C 175.17 . 1 422 . 41 GLY CA C 46.66 . 1 423 . 41 GLY N N 105.81 . 1 424 . 42 SER H H 7.42 . 1 425 . 42 SER HA H 4.56 . 1 426 . 42 SER HB2 H 3.53 . 2 427 . 42 SER HB3 H 3.51 . 2 428 . 42 SER C C 172.87 . 1 429 . 42 SER CA C 58.34 . 1 430 . 42 SER CB C 64.73 . 1 431 . 42 SER N N 110.74 . 1 432 . 43 HIS H H 7.75 . 1 433 . 43 HIS HA H 4.76 . 1 434 . 43 HIS HB2 H 2.11 . 1 435 . 43 HIS HB3 H 3.04 . 1 436 . 43 HIS HD1 H 6.50 . 1 437 . 43 HIS HD2 H 6.50 . 1 438 . 43 HIS HE1 H 7.74 . 1 439 . 43 HIS HE2 H 7.74 . 1 440 . 43 HIS C C 174.26 . 1 441 . 43 HIS CA C 55.27 . 1 442 . 43 HIS CB C 31.72 . 1 443 . 43 HIS CD2 C 120.01 . 1 444 . 43 HIS CE1 C 136.00 . 1 445 . 43 HIS N N 117.77 . 1 446 . 44 SER HA H 4.81 . 1 447 . 44 SER HB2 H 4.18 . 2 448 . 44 SER HB3 H 4.03 . 2 449 . 44 SER C C 174.18 . 1 450 . 44 SER CA C 57.76 . 1 451 . 44 SER CB C 63.96 . 1 452 . 45 THR H H 7.32 . 1 453 . 45 THR HA H 4.94 . 1 454 . 45 THR HB H 3.94 . 1 455 . 45 THR HG2 H 1.21 . 1 456 . 45 THR C C 173.11 . 1 457 . 45 THR CA C 58.89 . 1 458 . 45 THR CG2 C 22.41 . 1 459 . 45 THR N N 108.93 . 1 460 . 46 CYS H H 8.39 . 1 461 . 46 CYS HA H 4.34 . 1 462 . 46 CYS HB2 H 3.14 . 1 463 . 46 CYS HB3 H 3.33 . 1 464 . 46 CYS C C 176.64 . 1 465 . 46 CYS CA C 56.61 . 1 466 . 46 CYS CB C 31.75 . 1 467 . 46 CYS N N 122.81 . 1 468 . 47 PRO HA H 3.73 . 1 469 . 47 PRO HB2 H 0.62 . 1 470 . 47 PRO HB3 H 1.11 . 1 471 . 47 PRO HG2 H 0.71 . 1 472 . 47 PRO HG3 H 0.20 . 1 473 . 47 PRO HD2 H 3.62 . 1 474 . 47 PRO HD3 H 3.24 . 1 475 . 47 PRO C C 176.31 . 1 476 . 47 PRO CA C 64.44 . 1 477 . 47 PRO CB C 31.34 . 1 478 . 47 PRO CG C 25.23 . 1 479 . 47 PRO CD C 50.29 . 1 480 . 48 LEU H H 8.92 . 1 481 . 48 LEU HA H 4.40 . 1 482 . 48 LEU HB2 H 1.25 . 1 483 . 48 LEU HB3 H 1.43 . 1 484 . 48 LEU HG H 1.29 . 1 485 . 48 LEU HD1 H 0.75 . 1 486 . 48 LEU HD2 H 0.44 . 1 487 . 48 LEU C C 177.58 . 1 488 . 48 LEU CA C 56.73 . 1 489 . 48 LEU CB C 44.05 . 1 490 . 48 LEU CG C 27.54 . 1 491 . 48 LEU CD1 C 24.08 . 1 492 . 48 LEU CD2 C 23.74 . 1 493 . 48 LEU N N 119.69 . 1 494 . 49 CYS H H 8.59 . 1 495 . 49 CYS HA H 4.87 . 1 496 . 49 CYS HB2 H 3.43 . 1 497 . 49 CYS HB3 H 2.86 . 1 498 . 49 CYS C C 176.19 . 1 499 . 49 CYS CA C 59.56 . 1 500 . 49 CYS CB C 32.06 . 1 501 . 49 CYS N N 119.15 . 1 502 . 50 ARG H H 7.94 . 1 503 . 50 ARG HA H 4.23 . 1 504 . 50 ARG HB2 H 2.25 . 1 505 . 50 ARG HB3 H 2.19 . 1 506 . 50 ARG HG2 H 1.65 . 2 507 . 50 ARG HG3 H 1.63 . 2 508 . 50 ARG HD2 H 3.32 . 2 509 . 50 ARG HD3 H 3.25 . 2 510 . 50 ARG C C 174.82 . 1 511 . 50 ARG CA C 58.21 . 1 512 . 50 ARG CB C 27.67 . 1 513 . 50 ARG CG C 27.99 . 1 514 . 50 ARG CD C 43.26 . 1 515 . 50 ARG N N 115.63 . 1 516 . 51 LEU H H 8.04 . 1 517 . 51 LEU HA H 4.55 . 1 518 . 51 LEU HB2 H 1.89 . 1 519 . 51 LEU HB3 H 1.61 . 1 520 . 51 LEU HG H 1.98 . 1 521 . 51 LEU HD1 H 1.06 . 1 522 . 51 LEU HD2 H 0.99 . 1 523 . 51 LEU C C 178.65 . 1 524 . 51 LEU CA C 55.84 . 1 525 . 51 LEU CB C 43.46 . 1 526 . 51 LEU CG C 27.09 . 1 527 . 51 LEU CD1 C 24.62 . 1 528 . 51 LEU CD2 C 24.66 . 1 529 . 51 LEU N N 121.39 . 1 530 . 52 THR H H 8.35 . 1 531 . 52 THR HA H 4.44 . 1 532 . 52 THR HB H 4.24 . 1 533 . 52 THR HG2 H 1.41 . 1 534 . 52 THR C C 174.61 . 1 535 . 52 THR CA C 63.79 . 1 536 . 52 THR CB C 69.41 . 1 537 . 52 THR CG2 C 22.18 . 1 538 . 52 THR N N 118.87 . 1 539 . 53 VAL H H 8.20 . 1 540 . 53 VAL HA H 4.22 . 1 541 . 53 VAL HB H 2.27 . 1 542 . 53 VAL HG1 H 1.11 . 1 543 . 53 VAL HG2 H 1.05 . 1 544 . 53 VAL C C 176.01 . 1 545 . 53 VAL CA C 63.31 . 1 546 . 53 VAL CB C 32.41 . 1 547 . 53 VAL CG1 C 22.04 . 1 548 . 53 VAL CG2 C 21.00 . 1 549 . 53 VAL N N 121.89 . 1 550 . 54 VAL H H 7.89 . 1 551 . 54 VAL HA H 4.30 . 1 552 . 54 VAL HB H 2.15 . 1 553 . 54 VAL HG1 H 1.046 . 1 554 . 54 VAL HG2 H 1.054 . 1 555 . 54 VAL C C 174.86 . 1 556 . 54 VAL CA C 62.13 . 1 557 . 54 VAL CB C 33.42 . 1 558 . 54 VAL CG1 C 21.36 . 1 559 . 54 VAL CG2 C 20.72 . 1 560 . 54 VAL N N 121.07 . 1 561 . 55 VAL H H 7.78 . 1 562 . 55 VAL HA H 4.10 . 1 563 . 55 VAL HB H 2.13 . 1 564 . 55 VAL HG1 H 0.98 . 1 565 . 55 VAL HG2 H 0.97 . 1 566 . 55 VAL C C 180.83 . 1 567 . 55 VAL CA C 63.85 . 1 568 . 55 VAL CB C 33.60 . 1 569 . 55 VAL CG1 C 21.66 . 1 570 . 55 VAL CG2 C 20.34 . 1 571 . 55 VAL N N 127.77 . 1 stop_ save_