data_4475 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Low Density Lipoprotein Receptor-Related protein complement repeat 8 ; _BMRB_accession_number 4475 _BMRB_flat_file_name bmr4475.str _Entry_type original _Submission_date 1998-12-15 _Accession_date 1999-12-06 _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 Huang W. . . 2 Dolmer K. . . 3 Gettins P. G.W. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 226 "13C chemical shifts" 122 "15N chemical shifts" 41 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2000-06-17 original author . stop_ _Original_release_date 2000-06-17 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; NMR solution structure of complement-like repeat CR8 from the low density lipoprotein receptor-related protein ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code 99253972 _PubMed_ID 10318830 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Huang W. . . 2 dolmer K. . . 3 Gettins P. G.W. . stop_ _Journal_abbreviation 'J. Biol. Chem.' _Journal_volume 274 _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 14130 _Page_last 14136 _Year 1999 _Details . loop_ _Keyword 'calcium binding' LDLR 'ligand binding' LRP receptor stop_ save_ ################################## # Molecular system description # ################################## save_system_LRP _Saveframe_category molecular_system _Mol_system_name 'Low Density Lipoprotein Receptor Related Protein' _Abbreviation_common LRP _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label LRP $LRP Ca2+ $CA stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'not reported' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_LRP _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'Low Density Lipoprotein Receptor Related Protein' _Abbreviation_common LRP _Molecular_mass . _Mol_thiol_state 'not reported' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 44 _Mol_residue_sequence ; GSPGGCHTDEFQCRLDGLCI PLRWRCDGDTDCMDSSDEKS CEGV ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 PRO 4 GLY 5 GLY 6 CYS 7 HIS 8 THR 9 ASP 10 GLU 11 PHE 12 GLN 13 CYS 14 ARG 15 LEU 16 ASP 17 GLY 18 LEU 19 CYS 20 ILE 21 PRO 22 LEU 23 ARG 24 TRP 25 ARG 26 CYS 27 ASP 28 GLY 29 ASP 30 THR 31 ASP 32 CYS 33 MET 34 ASP 35 SER 36 SER 37 ASP 38 GLU 39 LYS 40 SER 41 CYS 42 GLU 43 GLY 44 VAL stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2008-08-19 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 1CR8 'Low Density Lipoprotein Receptor-Related Protein Complement Repeat 8' 95.45 42 100.00 100.00 5.60e-16 stop_ save_ ############# # Ligands # ############# save_CA _Saveframe_category ligand _Mol_type non-polymer _Name_common "CA (CALCIUM ION)" _BMRB_code . _PDB_code CA _Molecular_mass 40.078 _Mol_charge 2 _Mol_paramagnetic . _Mol_aromatic no _Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Jun 9 11:41:29 2011 ; loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons CA CA CA . 2 . ? stop_ _Mol_thiol_state . _Sequence_homology_query_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Details $LRP human 9606 Eukaryota Metazoa Homo sapiens 'The protein is found in liver and placenta' 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 $LRP 'recombinant technology' 'E. coli' Escherichia coli . . 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 $LRP . mM . stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DMX _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_NOESY-HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name NOESY-HSQC _Sample_label $sample_1 save_ save_TOCSY-HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name TOCSY-HSQC _Sample_label $sample_1 save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name NOESY-HSQC _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name TOCSY-HSQC _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.05 . M pH 5.5 . n/a pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_ref _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_citation_label _Correction_value_citation_label . C 13 . ppm . . . . . . $entry_citation $entry_citation . H 1 . ppm . . . . . . $entry_citation $entry_citation . N 15 . ppm . . . . . . $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_chem_shift_set_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_cond_1 _Chem_shift_reference_set_label $chem_shift_ref _Mol_system_component_name LRP _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 GLY HA2 H 3.66 0.02 1 2 . 1 GLY HA3 H 3.66 0.02 1 3 . 2 SER H H 8.46 0.02 1 4 . 2 SER HA H 4.65 0.02 1 5 . 2 SER HB2 H 3.67 0.02 1 6 . 2 SER HB3 H 3.67 0.02 1 7 . 2 SER N N 116.8 0.2 1 8 . 3 PRO HA H 4.31 0.02 1 9 . 3 PRO HB2 H 2.11 0.02 2 10 . 3 PRO HB3 H 1.76 0.02 2 11 . 3 PRO HG2 H 1.92 0.02 1 12 . 3 PRO HG3 H 1.92 0.02 1 13 . 3 PRO HD2 H 3.71 0.02 2 14 . 3 PRO HD3 H 3.60 0.02 2 15 . 3 PRO CA C 61.6 0.3 1 16 . 4 GLY H H 8.31 0.02 1 17 . 4 GLY HA2 H 3.81 0.02 1 18 . 4 GLY HA3 H 3.81 0.02 1 19 . 4 GLY C C 173.0 0.2 1 20 . 4 GLY CA C 42.8 0.3 1 21 . 4 GLY N N 109.1 0.2 1 22 . 5 GLY H H 7.95 0.02 1 23 . 5 GLY HA2 H 3.79 0.02 2 24 . 5 GLY HA3 H 3.88 0.02 2 25 . 5 GLY C C 174.0 0.2 1 26 . 5 GLY CA C 42.4 0.3 1 27 . 5 GLY N N 107.7 0.2 1 28 . 6 CYS H H 8.13 0.02 1 29 . 6 CYS HA H 4.73 0.02 1 30 . 6 CYS HB2 H 3.40 0.02 2 31 . 6 CYS HB3 H 2.38 0.02 2 32 . 6 CYS CA C 50.4 0.3 1 33 . 6 CYS CB C 35.4 0.3 1 34 . 6 CYS N N 117.5 0.2 1 35 . 7 HIS H H 9.05 0.02 1 36 . 7 HIS HA H 4.73 0.02 1 37 . 7 HIS HB2 H 3.38 0.02 2 38 . 7 HIS HB3 H 2.84 0.02 2 39 . 7 HIS CA C 52.4 0.3 1 40 . 7 HIS CB C 26.7 0.3 1 41 . 7 HIS N N 118.4 0.2 1 42 . 8 THR H H 8.46 0.02 1 43 . 8 THR HA H 3.98 0.02 1 44 . 8 THR HB H 4.65 0.02 1 45 . 8 THR HG2 H 1.20 0.02 1 46 . 8 THR CA C 62.5 0.3 1 47 . 8 THR CB C 65.9 0.3 1 48 . 8 THR CG2 C 19.1 0.3 1 49 . 8 THR N N 112.2 0.2 1 50 . 9 ASP H H 8.16 0.02 1 51 . 9 ASP HA H 4.49 0.02 1 52 . 9 ASP HB2 H 2.84 0.02 2 53 . 9 ASP HB3 H 2.41 0.02 2 54 . 9 ASP CA C 50.4 0.3 1 55 . 9 ASP CB C 36.1 0.3 1 56 . 9 ASP CG C 180.8 0.2 1 57 . 9 ASP N N 118.1 0.2 1 58 . 10 GLU H H 7.45 0.02 1 59 . 10 GLU HA H 4.82 0.02 1 60 . 10 GLU HB2 H 4.82 0.02 2 61 . 10 GLU HB3 H 2.04 0.02 2 62 . 10 GLU HG2 H 1.68 0.02 1 63 . 10 GLU HG3 H 1.68 0.02 1 64 . 10 GLU C C 174.2 0.2 1 65 . 10 GLU CA C 52.1 0.3 1 66 . 10 GLU CB C 30.9 0.3 1 67 . 10 GLU CG C 33.6 0.3 1 68 . 10 GLU CD C 183.1 0.2 1 69 . 10 GLU N N 118.5 0.2 1 70 . 11 PHE H H 9.33 0.02 1 71 . 11 PHE HA H 4.48 0.02 1 72 . 11 PHE HB2 H 2.74 0.02 2 73 . 11 PHE HB3 H 2.52 0.02 2 74 . 11 PHE HD1 H 6.96 0.02 1 75 . 11 PHE HD2 H 6.96 0.02 1 76 . 11 PHE HE1 H 6.87 0.02 1 77 . 11 PHE HE2 H 6.87 0.02 1 78 . 11 PHE HZ H 7.12 0.02 5 79 . 11 PHE CA C 52.1 0.3 1 80 . 11 PHE CB C 38.7 0.3 1 81 . 11 PHE N N 121.0 0.2 1 82 . 12 GLN H H 7.25 0.02 1 83 . 12 GLN HA H 4.49 0.02 1 84 . 12 GLN HB2 H 1.60 0.02 2 85 . 12 GLN HB3 H 1.15 0.02 2 86 . 12 GLN HG2 H 1.80 0.02 1 87 . 12 GLN HG3 H 1.80 0.02 1 88 . 12 GLN CA C 51.4 0.3 1 89 . 12 GLN CB C 26.9 0.3 1 90 . 12 GLN CD C 180.3 0.2 1 91 . 12 GLN N N 126.9 0.2 1 92 . 13 CYS H H 9.20 0.02 1 93 . 13 CYS HA H 4.50 0.02 1 94 . 13 CYS HB2 H 3.25 0.02 2 95 . 13 CYS HB3 H 3.07 0.02 2 96 . 13 CYS CA C 52.1 0.3 1 97 . 13 CYS CB C 34.1 0.3 1 98 . 13 CYS N N 126.9 0.2 1 99 . 14 ARG H H 8.10 0.02 1 100 . 14 ARG HA H 3.65 0.02 1 101 . 14 ARG HB2 H 1.89 0.02 1 102 . 14 ARG HB3 H 1.89 0.02 1 103 . 14 ARG HG2 H 1.57 0.02 1 104 . 14 ARG HG3 H 1.57 0.02 1 105 . 14 ARG HD2 H 3.14 0.02 1 106 . 14 ARG HD3 H 3.14 0.02 1 107 . 14 ARG CA C 57.6 0.3 1 108 . 14 ARG CB C 26.7 0.3 1 109 . 14 ARG CG C 24.5 0.3 1 110 . 14 ARG CD C 39.8 0.3 1 111 . 14 ARG N N 125.3 0.2 1 112 . 15 LEU H H 8.39 0.02 1 113 . 15 LEU HA H 4.05 0.02 1 114 . 15 LEU HB2 H 1.66 0.02 2 115 . 15 LEU HB3 H 1.45 0.02 2 116 . 15 LEU HG H 1.50 0.02 1 117 . 15 LEU HD1 H 0.86 0.02 1 118 . 15 LEU HD2 H 0.80 0.02 1 119 . 15 LEU CA C 55.5 0.3 1 120 . 15 LEU CB C 39.2 0.3 1 121 . 15 LEU CG C 23.5 0.3 1 122 . 15 LEU CD1 C 21.0 0.3 1 123 . 15 LEU CD2 C 22.1 0.3 1 124 . 15 LEU N N 117.5 0.2 1 125 . 16 ASP H H 7.49 0.02 1 126 . 16 ASP HA H 4.48 0.02 1 127 . 16 ASP HB2 H 2.78 0.02 2 128 . 16 ASP HB3 H 2.40 0.02 2 129 . 16 ASP CA C 50.3 0.3 1 130 . 16 ASP CB C 38.7 0.3 1 131 . 16 ASP CG C 179.4 0.2 1 132 . 16 ASP N N 112.5 0.2 1 133 . 17 GLY H H 7.35 0.02 1 134 . 17 GLY HA2 H 3.81 0.02 2 135 . 17 GLY HA3 H 3.62 0.02 2 136 . 17 GLY CA C 43.7 0.3 1 137 . 17 GLY N N 109.0 0.2 1 138 . 18 LEU H H 7.33 0.02 1 139 . 18 LEU HA H 3.93 0.02 1 140 . 18 LEU HB2 H 1.41 0.02 1 141 . 18 LEU HB3 H 1.41 0.02 1 142 . 18 LEU HG H 1.39 0.02 1 143 . 18 LEU HD1 H 0.84 0.02 1 144 . 18 LEU HD2 H 0.84 0.02 1 145 . 18 LEU CA C 53.6 0.3 1 146 . 18 LEU CB C 39.7 0.3 1 147 . 18 LEU CG C 24.4 0.3 1 148 . 18 LEU CD1 C 21.5 0.3 1 149 . 18 LEU CD2 C 21.5 0.3 1 150 . 18 LEU N N 121.9 0.2 1 151 . 19 CYS H H 8.13 0.02 1 152 . 19 CYS HA H 5.24 0.02 1 153 . 19 CYS HB2 H 2.54 0.02 1 154 . 19 CYS HB3 H 2.54 0.02 1 155 . 19 CYS C C 174.9 0.2 1 156 . 19 CYS CA C 50.7 0.3 1 157 . 19 CYS CB C 37.5 0.3 1 158 . 19 CYS N N 121.4 0.2 1 159 . 20 ILE H H 9.07 0.02 1 160 . 20 ILE HA H 4.68 0.02 1 161 . 20 ILE HB H 1.97 0.02 1 162 . 20 ILE HG12 H 1.50 0.02 2 163 . 20 ILE HG13 H 1.33 0.02 2 164 . 20 ILE HG2 H 1.01 0.02 1 165 . 20 ILE HD1 H 0.91 0.02 1 166 . 20 ILE CA C 55.7 0.3 1 167 . 20 ILE CB C 29.7 0.3 1 168 . 20 ILE CG1 C 22.6 0.3 1 169 . 20 ILE CG2 C 13.1 0.3 1 170 . 20 ILE CD1 C 14.4 0.3 1 171 . 20 ILE N N 119.1 0.2 1 172 . 21 PRO HA H 3.98 0.02 1 173 . 21 PRO HB2 H 1.81 0.02 2 174 . 21 PRO HB3 H 0.54 0.02 2 175 . 21 PRO HG2 H 1.73 0.02 2 176 . 21 PRO HG3 H 0.55 0.02 2 177 . 21 PRO HD2 H 2.94 0.02 1 178 . 21 PRO HD3 H 2.94 0.02 1 179 . 21 PRO CA C 61.0 0.3 1 180 . 21 PRO CB C 28.1 0.3 1 181 . 22 LEU H H 8.08 0.02 1 182 . 22 LEU HA H 3.83 0.02 1 183 . 22 LEU HB2 H 1.46 0.02 2 184 . 22 LEU HB3 H 0.95 0.02 2 185 . 22 LEU HG H 1.41 0.02 1 186 . 22 LEU HD1 H 0.89 0.02 2 187 . 22 LEU HD2 H 0.84 0.02 2 188 . 22 LEU CA C 55.3 0.3 1 189 . 22 LEU CB C 38.3 0.3 1 190 . 22 LEU CG C 24.2 0.3 1 191 . 22 LEU CD1 C 20.8 0.3 2 192 . 22 LEU CD2 C 22.2 0.3 2 193 . 22 LEU N N 125.8 0.2 1 194 . 23 ARG H H 8.11 0.02 1 195 . 23 ARG HA H 4.13 0.02 1 196 . 23 ARG HB2 H 1.70 0.02 1 197 . 23 ARG HB3 H 1.70 0.02 1 198 . 23 ARG HG2 H 1.48 0.02 1 199 . 23 ARG HG3 H 1.48 0.02 1 200 . 23 ARG HD2 H 3.13 0.02 1 201 . 23 ARG HD3 H 3.13 0.02 1 202 . 23 ARG CA C 55.3 0.3 1 203 . 23 ARG CB C 26.4 0.3 1 204 . 23 ARG CG C 24.3 0.3 1 205 . 23 ARG CD C 39.9 0.3 1 206 . 23 ARG N N 115.8 0.2 1 207 . 24 TRP H H 7.84 0.02 1 208 . 24 TRP HA H 5.11 0.02 1 209 . 24 TRP HB2 H 3.67 0.02 2 210 . 24 TRP HB3 H 3.12 0.02 2 211 . 24 TRP HD1 H 6.50 0.02 1 212 . 24 TRP HE1 H 7.18 0.02 4 213 . 24 TRP HZ2 H 7.34 0.02 4 214 . 24 TRP HZ3 H 7.34 0.02 4 215 . 24 TRP HH2 H 9.75 0.02 1 216 . 24 TRP C C 177.9 0.2 1 217 . 24 TRP CA C 52.1 0.3 1 218 . 24 TRP CB C 25.5 0.3 1 219 . 24 TRP N N 117.3 0.2 1 220 . 24 TRP NE1 N 125.4 0.2 1 221 . 25 ARG H H 8.15 0.02 1 222 . 25 ARG HA H 4.01 0.02 1 223 . 25 ARG HB2 H 2.10 0.02 2 224 . 25 ARG HB3 H 1.08 0.02 2 225 . 25 ARG HG2 H 1.36 0.02 1 226 . 25 ARG HG3 H 1.36 0.02 1 227 . 25 ARG HD2 H 2.92 0.02 1 228 . 25 ARG HD3 H 2.92 0.02 1 229 . 25 ARG CA C 53.6 0.3 1 230 . 25 ARG CB C 27.2 0.3 1 231 . 25 ARG CG C 24.4 0.3 1 232 . 25 ARG CD C 40.1 0.3 1 233 . 25 ARG N N 127.3 0.2 1 234 . 26 CYS H H 8.71 0.02 1 235 . 26 CYS HA H 4.56 0.02 1 236 . 26 CYS HB2 H 3.12 0.02 2 237 . 26 CYS HB3 H 2.96 0.02 2 238 . 26 CYS CA C 53.6 0.3 1 239 . 26 CYS CB C 33.7 0.3 1 240 . 26 CYS N N 124.8 0.2 1 241 . 27 ASP H H 9.33 0.02 1 242 . 27 ASP HA H 4.72 0.02 1 243 . 27 ASP HB2 H 2.99 0.02 2 244 . 27 ASP HB3 H 2.52 0.02 2 245 . 27 ASP CA C 49.7 0.3 1 246 . 27 ASP CB C 38.4 0.3 1 247 . 27 ASP CG C 181.3 0.2 1 248 . 27 ASP N N 120.2 0.3 1 249 . 28 GLY H H 9.05 0.02 1 250 . 28 GLY HA2 H 4.13 0.02 2 251 . 28 GLY HA3 H 3.33 0.02 2 252 . 28 GLY C C 173.1 0.2 1 253 . 28 GLY CA C 42.9 0.3 1 254 . 28 GLY N N 110.9 0.2 1 255 . 29 ASP H H 7.37 0.02 1 256 . 29 ASP HA H 4.86 0.02 1 257 . 29 ASP HB2 H 2.56 0.02 2 258 . 29 ASP HB3 H 2.40 0.02 2 259 . 29 ASP CA C 49.2 0.3 1 260 . 29 ASP CB C 38.5 0.3 1 261 . 29 ASP N N 118.1 0.2 1 262 . 30 THR H H 9.11 0.02 1 263 . 30 THR HA H 4.11 0.02 1 264 . 30 THR HB H 4.62 0.02 1 265 . 30 THR HG2 H 1.17 0.02 1 266 . 30 THR CA C 60.1 0.3 1 267 . 30 THR CB C 65.2 0.3 1 268 . 30 THR CG2 C 19.8 0.3 1 269 . 30 THR N N 121.0 0.2 1 270 . 31 ASP H H 10.23 0.02 1 271 . 31 ASP HA H 4.63 0.02 1 272 . 31 ASP HB2 H 2.83 0.02 2 273 . 31 ASP HB3 H 2.54 0.02 2 274 . 31 ASP CA C 53.0 0.3 1 275 . 31 ASP CB C 41.1 0.3 1 276 . 32 CYS H H 8.04 0.02 1 277 . 32 CYS HA H 4.91 0.02 1 278 . 32 CYS HB2 H 3.53 0.02 2 279 . 32 CYS HB3 H 3.01 0.02 2 280 . 32 CYS C C 177.3 0.2 1 281 . 32 CYS CA C 49.7 0.3 1 282 . 32 CYS CB C 37.2 0.3 1 283 . 32 CYS N N 117.1 0.2 1 284 . 33 MET H H 9.88 0.02 1 285 . 33 MET HA H 4.18 0.02 1 286 . 33 MET HB2 H 2.55 0.02 1 287 . 33 MET HB3 H 2.55 0.02 1 288 . 33 MET HG2 H 2.10 0.02 2 289 . 33 MET HG3 H 1.98 0.02 2 290 . 33 MET CA C 55.7 0.3 1 291 . 33 MET CB C 29.2 0.3 1 292 . 33 MET CG C 28.2 0.3 1 293 . 33 MET N N 125.1 0.2 1 294 . 34 ASP H H 7.97 0.02 1 295 . 34 ASP HA H 4.56 0.02 1 296 . 34 ASP HB2 H 3.07 0.02 2 297 . 34 ASP HB3 H 2.46 0.02 2 298 . 34 ASP CA C 50.1 0.3 1 299 . 34 ASP CB C 38.2 0.3 1 300 . 34 ASP CG C 180.6 0.2 1 301 . 34 ASP N N 115.5 0.2 1 302 . 35 SER H H 8.01 0.02 1 303 . 35 SER HA H 3.98 0.02 1 304 . 35 SER HB2 H 3.98 0.02 1 305 . 35 SER HB3 H 3.98 0.02 1 306 . 35 SER CA C 57.8 0.3 1 307 . 35 SER CB C 61.5 0.3 1 308 . 35 SER N N 108.9 0.2 1 309 . 36 SER H H 8.75 0.02 1 310 . 36 SER HA H 4.10 0.02 1 311 . 36 SER HB2 H 3.80 0.02 1 312 . 36 SER HB3 H 3.80 0.02 1 313 . 36 SER CA C 58.6 0.3 1 314 . 36 SER CB C 59.9 0.3 1 315 . 36 SER N N 115.7 0.3 1 316 . 37 ASP H H 9.66 0.02 1 317 . 37 ASP HA H 3.63 0.02 1 318 . 37 ASP HB2 H 2.79 0.02 2 319 . 37 ASP HB3 H 2.38 0.02 2 320 . 37 ASP CA C 52.8 0.3 1 321 . 37 ASP CB C 36.7 0.3 1 322 . 37 ASP N N 116.6 0.2 1 323 . 38 GLU H H 7.41 0.02 1 324 . 38 GLU HA H 4.61 0.02 1 325 . 38 GLU HB2 H 2.40 0.02 2 326 . 38 GLU HB3 H 1.35 0.02 2 327 . 38 GLU HG2 H 1.83 0.02 2 328 . 38 GLU HG3 H 1.93 0.02 2 329 . 38 GLU CA C 51.9 0.3 1 330 . 38 GLU CB C 27.2 0.3 1 331 . 38 GLU CG C 33.8 0.3 1 332 . 38 GLU CD C 182.9 0.2 1 333 . 38 GLU N N 116.6 0.3 1 334 . 39 LYS H H 6.73 0.02 1 335 . 39 LYS HA H 4.34 0.02 1 336 . 39 LYS HB2 H 1.79 0.02 2 337 . 39 LYS HB3 H 1.59 0.02 2 338 . 39 LYS HG2 H 1.35 0.02 4 339 . 39 LYS HG3 H 1.35 0.02 4 340 . 39 LYS HD2 H 1.49 0.02 4 341 . 39 LYS HD3 H 1.49 0.02 4 342 . 39 LYS HE2 H 2.70 0.02 1 343 . 39 LYS HE3 H 2.70 0.02 1 344 . 39 LYS CA C 52.8 0.3 1 345 . 39 LYS CB C 31.0 0.3 1 346 . 39 LYS CG C 22.2 0.3 4 347 . 39 LYS CD C 25.8 0.3 4 348 . 39 LYS CE C 39.2 0.3 1 349 . 39 LYS N N 119.8 0.2 1 350 . 40 SER H H 8.85 0.02 1 351 . 40 SER HA H 4.13 0.02 1 352 . 40 SER HB2 H 4.00 0.02 2 353 . 40 SER HB3 H 3.83 0.02 2 354 . 40 SER CA C 55.7 0.3 1 355 . 40 SER CB C 58.2 0.3 1 356 . 40 SER N N 116.2 0.3 1 357 . 41 CYS H H 8.16 0.02 1 358 . 41 CYS HA H 4.42 0.02 1 359 . 41 CYS HB2 H 2.99 0.02 2 360 . 41 CYS HB3 H 2.64 0.02 2 361 . 41 CYS CA C 53.4 0.3 1 362 . 41 CYS CB C 37.4 0.3 1 363 . 41 CYS N N 118.3 0.2 1 364 . 42 GLU H H 8.58 0.02 1 365 . 42 GLU HA H 4.17 0.02 1 366 . 42 GLU HB2 H 1.86 0.02 1 367 . 42 GLU HB3 H 1.86 0.02 1 368 . 42 GLU HG2 H 2.17 0.02 1 369 . 42 GLU HG3 H 2.17 0.02 1 370 . 42 GLU CA C 54.7 0.3 1 371 . 42 GLU CB C 26.5 0.3 1 372 . 42 GLU CG C 32.7 0.3 1 373 . 42 GLU CD C 184.0 0.2 1 374 . 42 GLU N N 121.4 0.2 1 375 . 43 GLY H H 8.33 0.02 1 376 . 43 GLY HA2 H 3.82 0.02 1 377 . 43 GLY HA3 H 3.82 0.02 1 378 . 43 GLY CA C 43.0 0.3 1 379 . 43 GLY N N 110.7 0.2 1 380 . 44 VAL H H 7.34 0.02 1 381 . 44 VAL HA H 3.92 0.02 1 382 . 44 VAL HB H 1.97 0.02 1 383 . 44 VAL HG1 H 0.83 0.02 2 384 . 44 VAL HG2 H 0.73 0.02 2 385 . 44 VAL CA C 61.2 0.3 1 386 . 44 VAL CB C 29.9 0.3 1 387 . 44 VAL CG1 C 21.7 0.3 2 388 . 44 VAL CG2 C 18.1 0.3 2 389 . 44 VAL N N 122.4 0.2 1 stop_ save_