data_16509 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Complement Repeats 16 17 and 18 from LRP-1 ; _BMRB_accession_number 16509 _BMRB_flat_file_name bmr16509.str _Entry_type original _Submission_date 2009-09-22 _Accession_date 2009-09-22 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'Construct of CR16 through CR18 from human LRP-1' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Guttman Miklos . . 2 Komives Elizabeth A. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 101 "13C chemical shifts" 193 "15N chemical shifts" 101 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-05-28 update BMRB 'edit entity name' 2010-02-23 update BMRB 'completed entry citation' 2010-02-02 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Decoding of lipoprotein-receptor interactions: properties of ligand binding modules governing interactions with apolipoprotein E.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 20030366 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Guttman Miklos . . 2 Prieto 'J. Helena' . . 3 Croy Johnny E. . 4 Komives Elizabeth A. . stop_ _Journal_abbreviation Biochemistry _Journal_name_full Biochemistry _Journal_volume 49 _Journal_issue 6 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 1207 _Page_last 1216 _Year 2010 _Details . loop_ _Keyword 'complement repeats' LDLR 'Ligand binding modules' LRP stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name CR1618 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label CR1618 $entity 'Calcium ion' $CA stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common CR1618 _Molecular_mass . _Mol_thiol_state 'all disulfide bound' _Details ; Disulfide bonds: C6-C18 C13-31 C25-C41 C46-C59 C53-C72 C66-C84 C90-C102 C97-C115 C109-C125 ; ############################## # Polymer residue sequence # ############################## _Residue_count 129 _Mol_residue_sequence ; GSNKFCSEAQFECQNHRCIS KQWLCDGSDDCGDGSDEAAH CEGKTCGPSSFSCPGTHVCV PERWLCDGDKDCADGADESI AAGCLYNSTCDDREFMCQNR QCIPKHFVCDHDRDCADGSD ESPECEYPT ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 ASN 4 LYS 5 PHE 6 CYS 7 SER 8 GLU 9 ALA 10 GLN 11 PHE 12 GLU 13 CYS 14 GLN 15 ASN 16 HIS 17 ARG 18 CYS 19 ILE 20 SER 21 LYS 22 GLN 23 TRP 24 LEU 25 CYS 26 ASP 27 GLY 28 SER 29 ASP 30 ASP 31 CYS 32 GLY 33 ASP 34 GLY 35 SER 36 ASP 37 GLU 38 ALA 39 ALA 40 HIS 41 CYS 42 GLU 43 GLY 44 LYS 45 THR 46 CYS 47 GLY 48 PRO 49 SER 50 SER 51 PHE 52 SER 53 CYS 54 PRO 55 GLY 56 THR 57 HIS 58 VAL 59 CYS 60 VAL 61 PRO 62 GLU 63 ARG 64 TRP 65 LEU 66 CYS 67 ASP 68 GLY 69 ASP 70 LYS 71 ASP 72 CYS 73 ALA 74 ASP 75 GLY 76 ALA 77 ASP 78 GLU 79 SER 80 ILE 81 ALA 82 ALA 83 GLY 84 CYS 85 LEU 86 TYR 87 ASN 88 SER 89 THR 90 CYS 91 ASP 92 ASP 93 ARG 94 GLU 95 PHE 96 MET 97 CYS 98 GLN 99 ASN 100 ARG 101 GLN 102 CYS 103 ILE 104 PRO 105 LYS 106 HIS 107 PHE 108 VAL 109 CYS 110 ASP 111 HIS 112 ASP 113 ARG 114 ASP 115 CYS 116 ALA 117 ASP 118 GLY 119 SER 120 ASP 121 GLU 122 SER 123 PRO 124 GLU 125 CYS 126 GLU 127 TYR 128 PRO 129 THR stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . 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 no _Mol_aromatic no _Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 13:21:54 2009 ; 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 'not present' _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 $entity Human 9606 Eukaryota Metazoa Homo sapiens 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 $entity 'recombinant technology' . Escherichia coli BL21-DE3 pMMHB stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details 'contained 50mM Glutamic acid, and 50mM Arginine for stability' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity 0.7 mM '[U-99% 13C; U-99% 15N]' 'sodium chloride' 150 mM 'natural abundance' 'sodium azide' 3 mM 'natural abundance' $CA 5 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_AZARA _Saveframe_category software _Name AZARA _Version 2.7 loop_ _Vendor _Address _Electronic_address Boucher . . stop_ loop_ _Task processing stop_ _Details . save_ save_Felix _Saveframe_category software _Name FELIX _Version 2000 loop_ _Vendor _Address _Electronic_address 'Accelrys Software Inc.' . . stop_ loop_ _Task 'chemical shift assignment' 'peak picking' processing stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version 3.113 loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' 'peak picking' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 600 _Details 'equipped with cryoprobe' save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_HNCA_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_HNCA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.15 . M pH 6.6 . pH pressure 1 . atm temperature 307 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _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 DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0 external direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 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_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $SPARKY stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCA' '3D HNCACB' '3D HN(CO)CA' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name CR1618 _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 1 GLY CA C 45.694 0.043 1 2 2 2 SER H H 8.249 0.002 1 3 2 2 SER CA C 58.562 0.030 1 4 2 2 SER N N 115.478 0.007 1 5 3 3 ASN CA C 53.336 0.013 1 6 3 3 ASN CB C 38.613 0.030 1 7 4 4 LYS H H 8.532 0.001 1 8 4 4 LYS CA C 56.616 0.024 1 9 4 4 LYS CB C 33.251 0.013 1 10 4 4 LYS N N 121.602 0.019 1 11 5 5 PHE H H 8.823 0.003 1 12 5 5 PHE CA C 58.957 0.017 1 13 5 5 PHE CB C 40.621 0.030 1 14 5 5 PHE N N 120.162 0.014 1 15 6 6 CYS H H 8.281 0.002 1 16 6 6 CYS CA C 52.722 0.019 1 17 6 6 CYS CB C 39.105 0.030 1 18 6 6 CYS N N 117.721 0.020 1 19 7 7 SER H H 8.617 0.001 1 20 7 7 SER CA C 57.990 0.036 1 21 7 7 SER CB C 64.764 0.099 1 22 7 7 SER N N 117.723 0.025 1 23 8 8 GLU H H 8.868 0.002 1 24 8 8 GLU CA C 58.905 0.016 1 25 8 8 GLU CB C 29.208 0.030 1 26 8 8 GLU N N 120.350 0.027 1 27 9 9 ALA H H 7.873 0.004 1 28 9 9 ALA CA C 52.250 0.022 1 29 9 9 ALA CB C 19.013 0.204 1 30 9 9 ALA N N 118.787 0.073 1 31 10 10 GLN H H 7.686 0.002 1 32 10 10 GLN CA C 54.846 0.004 1 33 10 10 GLN CB C 32.606 0.016 1 34 10 10 GLN N N 117.415 0.023 1 35 11 11 PHE H H 9.197 0.002 1 36 11 11 PHE CA C 56.330 0.042 1 37 11 11 PHE CB C 41.545 0.013 1 38 11 11 PHE N N 120.785 0.019 1 39 12 12 GLU H H 7.683 0.001 1 40 12 12 GLU CA C 54.952 0.010 1 41 12 12 GLU CB C 30.489 0.083 1 42 12 12 GLU N N 127.940 0.013 1 43 13 13 CYS H H 8.733 0.002 1 44 13 13 CYS CA C 55.949 0.002 1 45 13 13 CYS CB C 42.396 0.157 1 46 13 13 CYS N N 126.018 0.027 1 47 14 14 GLN H H 9.133 0.001 1 48 14 14 GLN CA C 59.539 0.037 1 49 14 14 GLN CB C 27.479 0.040 1 50 14 14 GLN N N 126.086 0.015 1 51 15 15 ASN H H 7.534 0.002 1 52 15 15 ASN CA C 52.476 0.062 1 53 15 15 ASN CB C 36.709 0.058 1 54 15 15 ASN N N 115.084 0.018 1 55 16 16 HIS H H 7.817 0.002 1 56 16 16 HIS CA C 57.421 0.035 1 57 16 16 HIS CB C 25.604 0.002 1 58 16 16 HIS N N 109.073 0.024 1 59 17 17 ARG H H 7.618 0.001 1 60 17 17 ARG CA C 57.422 0.011 1 61 17 17 ARG CB C 30.818 0.041 1 62 17 17 ARG N N 118.744 0.016 1 63 18 18 CYS H H 8.389 0.002 1 64 18 18 CYS CA C 53.124 0.003 1 65 18 18 CYS CB C 40.965 0.042 1 66 18 18 CYS N N 120.395 0.061 1 67 19 19 ILE H H 8.943 0.003 1 68 19 19 ILE CA C 58.906 0.023 1 69 19 19 ILE CB C 43.920 0.030 1 70 19 19 ILE N N 115.555 0.033 1 71 20 20 SER H H 7.438 0.001 1 72 20 20 SER CA C 58.226 0.033 1 73 20 20 SER CB C 62.817 0.137 1 74 20 20 SER N N 114.160 0.012 1 75 21 21 LYS H H 8.543 0.002 1 76 21 21 LYS CA C 59.709 0.019 1 77 21 21 LYS CB C 32.267 0.030 1 78 21 21 LYS N N 125.118 0.012 1 79 22 22 GLN H H 8.123 0.003 1 80 22 22 GLN CA C 57.594 0.009 1 81 22 22 GLN CB C 27.947 0.030 1 82 22 22 GLN N N 117.110 0.024 1 83 23 23 TRP H H 7.292 0.002 1 84 23 23 TRP HE1 H 10.031 0.030 1 85 23 23 TRP CA C 53.761 0.014 1 86 23 23 TRP CB C 28.496 0.031 1 87 23 23 TRP N N 116.388 0.018 1 88 23 23 TRP NE1 N 126.914 0.030 1 89 24 24 LEU H H 7.433 0.001 1 90 24 24 LEU CA C 55.927 0.011 1 91 24 24 LEU CB C 42.701 0.028 1 92 24 24 LEU N N 125.322 0.025 1 93 25 25 CYS H H 8.742 0.004 1 94 25 25 CYS CA C 54.786 0.094 1 95 25 25 CYS CB C 35.589 0.265 1 96 25 25 CYS N N 120.792 0.024 1 97 26 26 ASP H H 9.925 0.005 1 98 26 26 ASP CA C 52.362 0.035 1 99 26 26 ASP CB C 42.079 0.011 1 100 26 26 ASP N N 121.103 0.023 1 101 27 27 GLY H H 9.630 0.005 1 102 27 27 GLY CA C 45.617 0.061 1 103 27 27 GLY N N 111.354 0.056 1 104 28 28 SER H H 7.473 0.002 1 105 28 28 SER CA C 56.222 0.030 1 106 28 28 SER CB C 64.405 0.030 1 107 28 28 SER N N 113.534 0.017 1 108 29 29 ASP H H 9.086 0.030 1 109 29 29 ASP CA C 53.602 0.004 1 110 29 29 ASP CB C 39.215 0.030 1 111 29 29 ASP N N 129.111 0.030 1 112 30 30 ASP H H 10.102 0.003 1 113 30 30 ASP CA C 55.970 0.004 1 114 30 30 ASP CB C 43.638 0.030 1 115 30 30 ASP N N 127.559 0.033 1 116 31 31 CYS H H 8.860 0.002 1 117 31 31 CYS CA C 58.206 0.039 1 118 31 31 CYS CB C 43.225 0.030 1 119 31 31 CYS N N 119.150 0.020 1 120 32 32 GLY H H 9.180 0.002 1 121 32 32 GLY CA C 45.002 0.027 1 122 32 32 GLY N N 110.490 0.010 1 123 33 33 ASP H H 7.162 0.002 1 124 33 33 ASP CA C 51.982 0.014 1 125 33 33 ASP CB C 41.868 0.059 1 126 33 33 ASP N N 116.801 0.010 1 127 34 34 GLY H H 9.473 0.004 1 128 34 34 GLY CA C 45.801 0.068 1 129 34 34 GLY N N 110.408 0.017 1 130 35 35 SER H H 9.061 0.003 1 131 35 35 SER CA C 63.121 0.068 1 132 35 35 SER N N 116.868 0.060 1 133 36 36 ASP H H 10.329 0.004 1 134 36 36 ASP CA C 54.374 0.010 1 135 36 36 ASP CB C 40.526 0.169 1 136 36 36 ASP N N 116.243 0.037 1 137 37 37 GLU H H 7.596 0.004 1 138 37 37 GLU CA C 54.303 0.027 1 139 37 37 GLU CB C 30.423 0.030 1 140 37 37 GLU N N 118.218 0.099 1 141 38 38 ALA H H 6.628 0.003 1 142 38 38 ALA CA C 51.793 0.014 1 143 38 38 ALA CB C 19.265 0.030 1 144 38 38 ALA N N 122.642 0.019 1 145 39 39 ALA H H 7.661 0.003 1 146 39 39 ALA CA C 54.736 0.015 1 147 39 39 ALA CB C 18.697 0.018 1 148 39 39 ALA N N 121.824 0.027 1 149 40 40 HIS H H 7.837 0.002 1 150 40 40 HIS CA C 57.127 0.019 1 151 40 40 HIS CB C 28.805 0.030 1 152 40 40 HIS N N 114.728 0.033 1 153 41 41 CYS H H 7.805 0.004 1 154 41 41 CYS CA C 54.462 0.030 1 155 41 41 CYS CB C 37.410 0.030 1 156 41 41 CYS N N 117.903 0.031 1 157 42 42 GLU H H 8.122 0.030 1 158 42 42 GLU CA C 54.451 0.047 1 159 42 42 GLU N N 120.562 0.030 1 160 43 43 GLY H H 8.290 0.012 1 161 43 43 GLY CA C 45.683 0.027 1 162 43 43 GLY N N 109.129 0.037 1 163 46 46 CYS CA C 54.907 0.030 1 164 46 46 CYS CB C 41.465 0.030 1 165 47 47 GLY H H 8.288 0.010 1 166 47 47 GLY N N 109.190 0.078 1 167 48 48 PRO CA C 64.310 0.072 1 168 49 49 SER H H 8.578 0.009 1 169 49 49 SER CA C 58.209 0.030 1 170 49 49 SER N N 113.334 0.040 1 171 54 54 PRO CA C 64.178 0.030 1 172 55 55 GLY H H 8.854 0.007 1 173 55 55 GLY CA C 45.771 0.030 1 174 55 55 GLY N N 110.903 0.002 1 175 56 56 THR H H 7.753 0.030 1 176 56 56 THR N N 110.565 0.030 1 177 64 64 TRP HE1 H 9.918 0.030 1 178 64 64 TRP NE1 N 126.105 0.030 1 179 66 66 CYS CA C 54.772 0.030 1 180 67 67 ASP H H 9.689 0.009 1 181 67 67 ASP CA C 52.739 0.030 1 182 67 67 ASP N N 121.323 0.079 1 183 71 71 ASP H H 10.118 0.030 1 184 71 71 ASP N N 129.140 0.030 1 185 73 73 ALA CA C 55.643 0.003 1 186 74 74 ASP H H 8.101 0.003 1 187 74 74 ASP CA C 52.650 0.009 1 188 74 74 ASP N N 113.485 0.019 1 189 75 75 GLY H H 8.289 0.002 1 190 75 75 GLY CA C 46.257 0.071 1 191 75 75 GLY N N 105.687 0.028 1 192 76 76 ALA H H 8.547 0.006 1 193 76 76 ALA CA C 56.077 0.030 1 194 76 76 ALA CB C 19.801 0.030 1 195 76 76 ALA N N 122.911 0.026 1 196 77 77 ASP CA C 55.043 0.010 1 197 77 77 ASP CB C 42.102 0.030 1 198 78 78 GLU H H 7.572 0.005 1 199 78 78 GLU CA C 54.153 0.022 1 200 78 78 GLU CB C 30.406 0.030 1 201 78 78 GLU N N 115.744 0.041 1 202 79 79 SER H H 7.368 0.006 1 203 79 79 SER CA C 57.578 0.033 1 204 79 79 SER CB C 67.910 0.030 1 205 79 79 SER N N 116.114 0.030 1 206 80 80 ILE H H 8.730 0.001 1 207 80 80 ILE CA C 63.898 0.026 1 208 80 80 ILE N N 120.735 0.030 1 209 81 81 ALA H H 8.147 0.005 1 210 81 81 ALA CA C 54.789 0.013 1 211 81 81 ALA CB C 18.088 0.030 1 212 81 81 ALA N N 124.861 0.016 1 213 82 82 ALA H H 7.340 0.009 1 214 82 82 ALA CA C 51.749 0.010 1 215 82 82 ALA CB C 19.782 0.030 1 216 82 82 ALA N N 118.745 0.020 1 217 83 83 GLY H H 7.890 0.005 1 218 83 83 GLY CA C 44.972 0.026 1 219 83 83 GLY N N 104.436 0.083 1 220 84 84 CYS H H 7.307 0.005 1 221 84 84 CYS CA C 52.676 0.035 1 222 84 84 CYS CB C 33.931 0.007 1 223 84 84 CYS N N 117.719 0.052 1 224 85 85 LEU H H 8.150 0.003 1 225 85 85 LEU CA C 55.049 0.005 1 226 85 85 LEU CB C 42.718 0.030 1 227 85 85 LEU N N 122.934 0.042 1 228 86 86 TYR H H 8.021 0.001 1 229 86 86 TYR CA C 57.386 0.010 1 230 86 86 TYR CB C 38.780 0.030 1 231 86 86 TYR N N 119.822 0.023 1 232 87 87 ASN H H 8.302 0.002 1 233 87 87 ASN CA C 52.978 0.023 1 234 87 87 ASN CB C 39.148 0.021 1 235 87 87 ASN N N 119.675 0.048 1 236 88 88 SER H H 8.143 0.003 1 237 88 88 SER CA C 58.447 0.014 1 238 88 88 SER CB C 64.320 0.030 1 239 88 88 SER N N 115.322 0.028 1 240 89 89 THR H H 8.023 0.001 1 241 89 89 THR CA C 61.741 0.036 1 242 89 89 THR CB C 70.232 0.030 1 243 89 89 THR N N 115.470 0.026 1 244 90 90 CYS H H 8.328 0.002 1 245 90 90 CYS CA C 53.190 0.024 1 246 90 90 CYS CB C 38.040 0.040 1 247 90 90 CYS N N 120.715 0.012 1 248 91 91 ASP H H 9.048 0.006 1 249 91 91 ASP CA C 53.706 0.050 1 250 91 91 ASP CB C 42.464 0.030 1 251 91 91 ASP N N 123.271 0.046 1 252 92 92 ASP H H 8.362 0.002 1 253 92 92 ASP CA C 56.858 0.012 1 254 92 92 ASP CB C 40.733 0.100 1 255 92 92 ASP N N 118.565 0.020 1 256 93 93 ARG H H 8.653 0.002 1 257 93 93 ARG CA C 56.155 0.017 1 258 93 93 ARG CB C 29.347 0.030 1 259 93 93 ARG N N 116.776 0.067 1 260 94 94 GLU H H 7.971 0.002 1 261 94 94 GLU CA C 55.288 0.056 1 262 94 94 GLU CB C 33.328 0.001 1 263 94 94 GLU N N 119.830 0.026 1 264 95 95 PHE H H 9.539 0.003 1 265 95 95 PHE CA C 55.736 0.011 1 266 95 95 PHE CB C 42.722 0.030 1 267 95 95 PHE N N 122.127 0.021 1 268 96 96 MET H H 7.641 0.002 1 269 96 96 MET CA C 54.600 0.014 1 270 96 96 MET CB C 34.445 0.008 1 271 96 96 MET N N 126.472 0.029 1 272 97 97 CYS H H 8.944 0.002 1 273 97 97 CYS CA C 55.498 0.009 1 274 97 97 CYS CB C 41.954 0.019 1 275 97 97 CYS N N 126.484 0.025 1 276 98 98 GLN H H 9.202 0.005 1 277 98 98 GLN CA C 59.713 0.020 1 278 98 98 GLN CB C 27.460 0.012 1 279 98 98 GLN N N 125.254 0.074 1 280 99 99 ASN H H 7.998 0.001 1 281 99 99 ASN CA C 52.680 0.012 1 282 99 99 ASN CB C 36.779 0.015 1 283 99 99 ASN N N 116.338 0.030 1 284 100 100 ARG H H 8.114 0.002 1 285 100 100 ARG CA C 58.791 0.002 1 286 100 100 ARG CB C 26.742 0.113 1 287 100 100 ARG N N 110.438 0.016 1 288 101 101 GLN H H 7.313 0.002 1 289 101 101 GLN CA C 56.647 0.007 1 290 101 101 GLN CB C 29.517 0.102 1 291 101 101 GLN N N 118.900 0.034 1 292 102 102 CYS H H 8.456 0.001 1 293 102 102 CYS CA C 53.933 0.026 1 294 102 102 CYS CB C 42.559 0.030 1 295 102 102 CYS N N 122.040 0.010 1 296 103 103 ILE H H 9.061 0.002 1 297 103 103 ILE CA C 58.526 0.030 1 298 103 103 ILE CB C 40.526 0.030 1 299 103 103 ILE N N 116.979 0.046 1 300 104 104 PRO CA C 63.867 0.045 1 301 105 105 LYS H H 8.408 0.001 1 302 105 105 LYS CA C 59.943 0.010 1 303 105 105 LYS CB C 32.152 0.030 1 304 105 105 LYS N N 122.507 0.024 1 305 106 106 HIS H H 7.947 0.006 1 306 106 106 HIS CA C 57.206 0.017 1 307 106 106 HIS CB C 28.775 0.157 1 308 106 106 HIS N N 113.526 0.023 1 309 107 107 PHE H H 7.438 0.003 1 310 107 107 PHE CA C 54.364 0.010 1 311 107 107 PHE CB C 36.810 0.030 1 312 107 107 PHE N N 117.499 0.030 1 313 108 108 VAL H H 7.622 0.001 1 314 108 108 VAL CA C 64.024 0.066 1 315 108 108 VAL CB C 31.444 0.060 1 316 108 108 VAL N N 126.766 0.053 1 317 109 109 CYS H H 8.730 0.002 1 318 109 109 CYS CA C 55.078 0.019 1 319 109 109 CYS CB C 33.441 0.132 1 320 109 109 CYS N N 123.418 0.021 1 321 110 110 ASP H H 10.083 0.001 1 322 110 110 ASP CA C 52.650 0.010 1 323 110 110 ASP CB C 41.709 0.067 1 324 110 110 ASP N N 121.802 0.049 1 325 111 111 HIS H H 9.041 0.002 1 326 111 111 HIS CA C 60.387 0.009 1 327 111 111 HIS CB C 26.885 0.015 1 328 111 111 HIS N N 112.547 0.028 1 329 112 112 ASP H H 7.631 0.001 1 330 112 112 ASP CA C 53.451 0.003 1 331 112 112 ASP CB C 41.694 0.030 1 332 112 112 ASP N N 119.856 0.020 1 333 113 113 ARG H H 9.210 0.010 1 334 113 113 ARG CA C 57.273 0.029 1 335 113 113 ARG CB C 28.716 0.030 1 336 113 113 ARG N N 127.213 0.090 1 337 114 114 ASP H H 10.126 0.003 1 338 114 114 ASP CA C 56.686 0.017 1 339 114 114 ASP CB C 43.947 0.030 1 340 114 114 ASP N N 129.151 0.076 1 341 115 115 CYS H H 8.357 0.005 1 342 115 115 CYS CA C 55.172 0.050 1 343 115 115 CYS CB C 42.386 0.030 1 344 115 115 CYS N N 118.559 0.011 1 345 116 116 ALA H H 9.690 0.002 1 346 116 116 ALA CA C 55.259 0.010 1 347 116 116 ALA CB C 18.028 0.030 1 348 116 116 ALA N N 129.232 0.032 1 349 117 117 ASP H H 7.885 0.003 1 350 117 117 ASP CA C 52.745 0.017 1 351 117 117 ASP CB C 40.949 0.024 1 352 117 117 ASP N N 112.176 0.019 1 353 118 118 GLY H H 8.130 0.004 1 354 118 118 GLY CA C 46.261 0.058 1 355 118 118 GLY N N 106.761 0.057 1 356 119 119 SER H H 8.728 0.002 1 357 119 119 SER CA C 61.853 0.015 1 358 119 119 SER CB C 63.205 0.030 1 359 119 119 SER N N 114.779 0.030 1 360 120 120 ASP H H 9.836 0.002 1 361 120 120 ASP CA C 54.562 0.004 1 362 120 120 ASP CB C 40.502 0.141 1 363 120 120 ASP N N 115.733 0.016 1 364 121 121 GLU H H 7.725 0.002 1 365 121 121 GLU CA C 53.359 0.007 1 366 121 121 GLU CB C 29.186 0.006 1 367 121 121 GLU N N 119.631 0.029 1 368 122 122 SER H H 7.236 0.001 1 369 122 122 SER CA C 57.173 0.030 1 370 122 122 SER CB C 64.377 0.030 1 371 122 122 SER N N 117.234 0.016 1 372 123 123 PRO CA C 64.612 0.054 1 373 123 123 PRO CB C 31.761 0.030 1 374 124 124 GLU H H 8.003 0.002 1 375 124 124 GLU CA C 57.058 0.043 1 376 124 124 GLU CB C 29.139 0.008 1 377 124 124 GLU N N 114.804 0.025 1 378 125 125 CYS H H 7.729 0.001 1 379 125 125 CYS CA C 56.162 0.019 1 380 125 125 CYS CB C 36.788 0.023 1 381 125 125 CYS N N 117.654 0.024 1 382 126 126 GLU H H 8.204 0.002 1 383 126 126 GLU CA C 55.290 0.033 1 384 126 126 GLU CB C 29.276 0.083 1 385 126 126 GLU N N 121.919 0.027 1 386 127 127 TYR H H 7.956 0.003 1 387 127 127 TYR CA C 55.900 0.030 1 388 127 127 TYR CB C 37.956 0.030 1 389 127 127 TYR N N 121.489 0.033 1 390 128 128 PRO CA C 63.695 0.030 1 391 128 128 PRO CB C 32.086 0.030 1 392 129 129 THR H H 7.837 0.002 1 393 129 129 THR CA C 63.107 0.030 1 394 129 129 THR CB C 71.257 0.030 1 395 129 129 THR N N 118.814 0.019 1 stop_ save_