data_18110 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution Structure of C-terminal RAGE (ctRAGE) ; _BMRB_accession_number 18110 _BMRB_flat_file_name bmr18110.str _Entry_type original _Submission_date 2011-11-29 _Accession_date 2011-11-29 _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 Rai Vivek . . 2 Maldonado Andres Y. . 3 Burz David S. . 4 Reverdatto Sergey . . 5 Schmidt 'Ann Marie' . . 6 Shekhtman Alexander . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 214 "13C chemical shifts" 107 "15N chemical shifts" 40 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2013-02-18 update BMRB 'update entry citation' 2011-12-20 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title 'Free radicals and antioxidant systems in health and disease.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 2194616 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Sinclair A. J. . 2 Barnett A. H. . 3 Lunec J. . . stop_ _Journal_abbreviation 'Br. J. Hosp. Med.' _Journal_name_full 'British journal of hospital medicine' _Journal_volume 43 _Journal_issue 5 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 334 _Page_last 344 _Year 1990 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'C-terminal RAGE (ctRAGE)' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'C-terminal RAGE (ctRAGE)' $ctRAGE 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_ctRAGE _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common ctRAGE _Molecular_mass 1990.314 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 43 _Mol_residue_sequence ; MWQRRQRRGEERKAPENQEE EEERAELNQSEEPEAGESST GGP ; loop_ _Residue_seq_code _Residue_label 1 MET 2 TRP 3 GLN 4 ARG 5 ARG 6 GLN 7 ARG 8 ARG 9 GLY 10 GLU 11 GLU 12 ARG 13 LYS 14 ALA 15 PRO 16 GLU 17 ASN 18 GLN 19 GLU 20 GLU 21 GLU 22 GLU 23 GLU 24 ARG 25 ALA 26 GLU 27 LEU 28 ASN 29 GLN 30 SER 31 GLU 32 GLU 33 PRO 34 GLU 35 ALA 36 GLY 37 GLU 38 SER 39 SER 40 THR 41 GLY 42 GLY 43 PRO stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-30 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 DBJ BAA05958 "receptor of advanced glycosylation end products of proteins [Homo sapiens]" 100.00 404 97.67 100.00 9.83e-17 DBJ BAA89369 "advanced glycation endproducts receptor [Homo sapiens]" 100.00 404 97.67 100.00 9.83e-17 DBJ BAC65466 "N-terminal truncated form of receptor for advanced glycation endproducts [Homo sapiens]" 100.00 303 97.67 100.00 3.21e-17 DBJ BAG35995 "unnamed protein product [Homo sapiens]" 100.00 404 97.67 100.00 9.83e-17 DBJ BAG60385 "unnamed protein product [Homo sapiens]" 100.00 435 97.67 100.00 1.62e-16 EMBL CAB43094 "receptor for advanced glycosylation end product [Homo sapiens]" 100.00 82 97.67 100.00 3.22e-18 GB AAA03574 "receptor for advanced glycosylation end products, partial [Homo sapiens]" 100.00 404 97.67 100.00 1.06e-16 GB AAB47491 "receptor for advanced glycosylation end products [Homo sapiens]" 100.00 404 97.67 100.00 9.83e-17 GB AAH20669 "Advanced glycosylation end product-specific receptor [Homo sapiens]" 100.00 404 97.67 100.00 9.83e-17 GB AAX07272 "receptor for advanced glycosylation end-products [Homo sapiens]" 100.00 404 97.67 100.00 9.83e-17 GB AAX07274 "receptor for advanced glycosylation end-products intron 4 variant [Homo sapiens]" 100.00 420 97.67 100.00 1.26e-16 REF NP_001127 "advanced glycosylation end product-specific receptor isoform 1 precursor [Homo sapiens]" 100.00 404 97.67 100.00 9.83e-17 REF NP_001193858 "advanced glycosylation end product-specific receptor isoform 2 precursor [Homo sapiens]" 100.00 420 97.67 100.00 1.26e-16 REF NP_001193861 "advanced glycosylation end product-specific receptor isoform 3 precursor [Homo sapiens]" 100.00 390 97.67 100.00 7.84e-17 SP Q15109 "RecName: Full=Advanced glycosylation end product-specific receptor; AltName: Full=Receptor for advanced glycosylation end produ" 100.00 404 97.67 100.00 9.83e-17 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $ctRAGE 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 $ctRAGE 'recombinant technology' . Escherichia coli . pTM stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details ; 10 mM potassium phosphate [pH 6.5], 100 mM NaCl, 0.02% (w/v) NaN3, in 90%H2O/10%D2O ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $ctRAGE 300 uM '[U-99% 13C; U-99% 15N]' D2O 10 % '[U-100% 2H]' 'potassium phosphate' 10 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' 'sodium azide' 0.02 % 'natural abundance' H2O 90 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Saveframe_category software _Name CYANA _Version . loop_ _Vendor _Address _Electronic_address 'G??ntert P.' . . stop_ loop_ _Task refinement stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _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_CBCA(CO)NH_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCO_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HNCA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-15N_TOCSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _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' 130 . mM pH 6.5 . pH pressure 1 . atm temperature 298 . 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 0.00 internal direct . . . 1.000000000 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_ _Experiment_label '2D 1H-15N HSQC' '3D CBCA(CO)NH' '3D HNCO' '3D HNCACB' '3D 1H-15N TOCSY' '3D HCCH-TOCSY' 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 'C-terminal RAGE (ctRAGE)' _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 MET HA H 4.407 0.020 1 2 1 1 MET HB2 H 1.898 0.020 2 3 1 1 MET HB3 H 1.727 0.020 2 4 1 1 MET HG2 H 2.160 0.020 1 5 1 1 MET HG3 H 2.160 0.020 1 6 1 1 MET H H 8.258 0.020 1 7 1 1 MET CA C 51.270 0.3 1 8 1 1 MET CB C 26.364 0.3 1 9 1 1 MET CG C 22.681 0.3 1 10 1 1 MET N N 122.937 0.3 1 11 2 2 TRP H H 8.683 0.020 1 12 2 2 TRP HA H 4.552 0.020 1 13 2 2 TRP HB2 H 3.087 0.020 1 14 2 2 TRP HB3 H 3.087 0.020 1 15 2 2 TRP CA C 54.432 0.3 1 16 2 2 TRP CB C 26.515 0.3 1 17 2 2 TRP N N 124.724 0.3 1 18 3 3 GLN H H 8.118 0.020 1 19 3 3 GLN HA H 4.065 0.020 1 20 3 3 GLN HB2 H 1.794 0.020 2 21 3 3 GLN HB3 H 1.680 0.020 2 22 3 3 GLN HG2 H 2.052 0.020 1 23 3 3 GLN HG3 H 2.052 0.020 1 24 3 3 GLN CA C 52.373 0.3 1 25 3 3 GLN CB C 26.893 0.3 1 26 3 3 GLN CG C 30.975 0.3 1 27 3 3 GLN N N 123.310 0.3 1 28 4 4 ARG H H 8.098 0.020 1 29 4 4 ARG HA H 3.910 0.020 1 30 4 4 ARG HB2 H 1.565 0.020 2 31 4 4 ARG HB3 H 1.509 0.020 2 32 4 4 ARG HD2 H 3.037 0.020 1 33 4 4 ARG HD3 H 3.037 0.020 1 34 4 4 ARG CA C 53.443 0.3 1 35 4 4 ARG CB C 27.499 0.3 1 36 4 4 ARG CG C 24.226 0.3 1 37 4 4 ARG CD C 40.326 0.3 1 38 4 4 ARG N N 122.402 0.3 1 39 5 5 ARG H H 8.364 0.020 1 40 5 5 ARG HA H 4.111 0.020 1 41 5 5 ARG HB2 H 1.644 0.020 1 42 5 5 ARG HB3 H 1.644 0.020 1 43 5 5 ARG HG2 H 1.462 0.020 1 44 5 5 ARG HG3 H 1.462 0.020 1 45 5 5 ARG HD2 H 2.996 0.020 1 46 5 5 ARG HD3 H 2.996 0.020 1 47 5 5 ARG CA C 53.346 0.3 1 48 5 5 ARG CB C 27.801 0.3 1 49 5 5 ARG CG C 24.388 0.3 1 50 5 5 ARG CD C 40.163 0.3 1 51 5 5 ARG N N 122.488 0.3 1 52 6 6 GLN H H 8.376 0.020 1 53 6 6 GLN HA H 4.154 0.020 1 54 6 6 GLN HB2 H 1.891 0.020 2 55 6 6 GLN HB3 H 1.792 0.020 2 56 6 6 GLN HG2 H 2.170 0.020 1 57 6 6 GLN HG3 H 2.170 0.020 1 58 6 6 GLN CA C 53.021 0.3 1 59 6 6 GLN CB C 26.591 0.3 1 60 6 6 GLN CG C 30.893 0.3 1 61 6 6 GLN N N 121.989 0.3 1 62 7 7 ARG H H 8.431 0.020 1 63 7 7 ARG HA H 4.186 0.020 1 64 7 7 ARG HB2 H 1.658 0.020 1 65 7 7 ARG HG2 H 1.481 0.020 1 66 7 7 ARG HG3 H 1.481 0.020 1 67 7 7 ARG HD2 H 3.037 0.020 1 68 7 7 ARG HD3 H 3.037 0.020 1 69 7 7 ARG CA C 53.021 0.3 1 70 7 7 ARG CB C 27.726 0.3 1 71 7 7 ARG CG C 24.145 0.3 1 72 7 7 ARG CD C 40.163 0.3 1 73 7 7 ARG N N 123.118 0.3 1 74 8 8 ARG H H 8.492 0.020 1 75 8 8 ARG HA H 4.171 0.020 1 76 8 8 ARG HB2 H 1.723 0.020 1 77 8 8 ARG HG2 H 1.509 0.020 1 78 8 8 ARG HG3 H 1.509 0.020 1 79 8 8 ARG HD2 H 3.037 0.020 1 80 8 8 ARG HD3 H 3.037 0.020 1 81 8 8 ARG CA C 53.378 0.3 1 82 8 8 ARG CB C 27.726 0.3 1 83 8 8 ARG CG C 24.145 0.3 1 84 8 8 ARG N N 122.922 0.3 1 85 9 9 GLY H H 8.539 0.020 1 86 9 9 GLY HA2 H 3.856 0.020 2 87 9 9 GLY HA3 H 3.747 0.020 2 88 9 9 GLY CA C 42.612 0.3 1 89 9 9 GLY N N 110.866 0.3 1 90 10 10 GLU H H 8.195 0.020 1 91 10 10 GLU HA H 4.156 0.020 1 92 10 10 GLU HB2 H 1.962 0.020 2 93 10 10 GLU HB3 H 1.780 0.020 2 94 10 10 GLU CA C 53.540 0.3 1 95 10 10 GLU CB C 27.196 0.3 1 96 10 10 GLU CG C 33.008 0.3 1 97 10 10 GLU N N 120.279 0.3 1 98 11 11 GLU H H 8.245 0.020 1 99 11 11 GLU HA H 4.099 0.020 1 100 11 11 GLU HB2 H 1.921 0.020 2 101 11 11 GLU HB3 H 1.805 0.020 2 102 11 11 GLU HG2 H 2.174 0.020 1 103 11 11 GLU HG3 H 2.174 0.020 1 104 11 11 GLU CA C 53.832 0.3 1 105 11 11 GLU CB C 26.742 0.3 1 106 11 11 GLU CG C 33.252 0.3 1 107 11 11 GLU N N 120.899 0.3 1 108 12 12 ARG H H 8.250 0.020 1 109 12 12 ARG HA H 4.186 0.020 1 110 12 12 ARG HB2 H 1.723 0.020 2 111 12 12 ARG HB3 H 1.624 0.020 2 112 12 12 ARG HG2 H 1.462 0.020 1 113 12 12 ARG HG3 H 1.462 0.020 1 114 12 12 ARG HD2 H 3.027 0.020 1 115 12 12 ARG HD3 H 3.027 0.020 1 116 12 12 ARG CA C 52.989 0.3 1 117 12 12 ARG CB C 27.272 0.3 1 118 12 12 ARG CG C 24.226 0.3 1 119 12 12 ARG CD C 40.488 0.3 1 120 12 12 ARG N N 122.019 0.3 1 121 13 13 LYS H H 8.240 0.020 1 122 13 13 LYS HA H 4.163 0.020 1 123 13 13 LYS HB2 H 1.704 0.020 1 124 13 13 LYS HB3 H 1.704 0.020 1 125 13 13 LYS HG2 H 1.281 0.020 1 126 13 13 LYS HG3 H 1.281 0.020 1 127 13 13 LYS HD2 H 1.540 0.020 1 128 13 13 LYS HD3 H 1.540 0.020 1 129 13 13 LYS HE2 H 2.855 0.020 1 130 13 13 LYS HE3 H 2.855 0.020 1 131 13 13 LYS CA C 53.021 0.3 1 132 13 13 LYS CB C 29.995 0.3 1 133 13 13 LYS CG C 21.705 0.3 1 134 13 13 LYS CD C 26.096 0.3 1 135 13 13 LYS CE C 39.251 0.3 1 136 13 13 LYS N N 122.805 0.3 1 137 14 14 ALA H H 8.250 0.020 1 138 14 14 ALA HA H 4.413 0.020 1 139 14 14 ALA HB H 1.217 0.020 1 140 14 14 ALA CA C 47.671 0.3 1 141 14 14 ALA CB C 15.016 0.3 1 142 14 14 ALA N N 126.590 0.3 1 143 16 16 GLU H H 8.585 0.020 1 144 16 16 GLU HA H 4.065 0.020 1 145 16 16 GLU HB2 H 1.889 0.020 2 146 16 16 GLU HB3 H 1.795 0.020 2 147 16 16 GLU HG2 H 2.143 0.020 1 148 16 16 GLU HG3 H 2.143 0.020 1 149 16 16 GLU CA C 54.124 0.3 1 150 16 16 GLU CB C 26.893 0.3 1 151 16 16 GLU CG C 33.089 0.3 1 152 16 16 GLU N N 119.943 0.3 1 153 17 17 ASN H H 8.210 0.020 1 154 17 17 ASN HA H 4.565 0.020 1 155 17 17 ASN HB2 H 2.754 0.020 2 156 17 17 ASN HB3 H 2.662 0.020 2 157 17 17 ASN CA C 50.330 0.3 1 158 17 17 ASN CB C 35.745 0.3 1 159 17 17 ASN N N 117.894 0.3 1 160 18 18 GLN H H 8.250 0.020 1 161 18 18 GLN HA H 4.077 0.020 1 162 18 18 GLN HB2 H 1.960 0.020 2 163 18 18 GLN HB3 H 1.810 0.020 2 164 18 18 GLN HG2 H 2.173 0.020 1 165 18 18 GLN HG3 H 2.173 0.020 1 166 18 18 GLN CA C 52.956 0.3 1 167 18 18 GLN CB C 26.515 0.3 1 168 18 18 GLN N N 120.795 0.3 1 169 19 19 GLU H H 8.347 0.020 1 170 19 19 GLU HA H 4.081 0.020 1 171 19 19 GLU HB2 H 1.946 0.020 2 172 19 19 GLU HB3 H 1.810 0.020 2 173 19 19 GLU HG2 H 2.148 0.020 1 174 19 19 GLU HG3 H 2.148 0.020 1 175 19 19 GLU CA C 53.929 0.3 1 176 19 19 GLU CB C 26.591 0.3 1 177 19 19 GLU CG C 32.845 0.3 1 178 19 19 GLU N N 121.241 0.3 1 179 20 20 GLU H H 8.259 0.020 1 180 20 20 GLU HA H 4.065 0.020 1 181 20 20 GLU HB2 H 1.826 0.020 1 182 20 20 GLU HB3 H 1.826 0.020 1 183 20 20 GLU HG2 H 2.118 0.020 1 184 20 20 GLU HG3 H 2.118 0.020 1 185 20 20 GLU CA C 53.864 0.3 1 186 20 20 GLU CB C 26.818 0.3 1 187 20 20 GLU CG C 33.089 0.3 1 188 20 20 GLU N N 121.391 0.3 1 189 21 21 GLU H H 8.236 0.020 1 190 21 21 GLU HA H 4.197 0.020 1 191 21 21 GLU HB2 H 1.990 0.020 2 192 21 21 GLU HB3 H 1.831 0.020 2 193 21 21 GLU HG2 H 2.200 0.020 1 194 21 21 GLU HG3 H 2.200 0.020 1 195 21 21 GLU CA C 53.605 0.3 1 196 21 21 GLU CB C 27.045 0.3 1 197 21 21 GLU CG C 32.926 0.3 1 198 21 21 GLU N N 120.699 0.3 1 199 22 22 GLU H H 8.270 0.020 1 200 22 22 GLU HA H 4.072 0.020 1 201 22 22 GLU HB2 H 1.918 0.020 2 202 22 22 GLU HB3 H 1.833 0.020 2 203 22 22 GLU HG2 H 2.143 0.020 1 204 22 22 GLU HG3 H 2.143 0.020 1 205 22 22 GLU CA C 53.378 0.3 1 206 22 22 GLU CG C 32.682 0.3 1 207 22 22 GLU N N 121.468 0.3 1 208 23 23 GLU H H 8.270 0.020 1 209 23 23 GLU HA H 4.067 0.020 1 210 23 23 GLU HB2 H 1.834 0.020 1 211 23 23 GLU HB3 H 1.834 0.020 1 212 23 23 GLU HG2 H 2.144 0.020 1 213 23 23 GLU HG3 H 2.144 0.020 1 214 23 23 GLU CA C 54.149 0.3 1 215 23 23 GLU CB C 27.072 0.3 1 216 23 23 GLU CG C 32.845 0.3 1 217 23 23 GLU N N 121.711 0.3 1 218 24 24 ARG H H 8.147 0.020 1 219 24 24 ARG HA H 4.124 0.020 1 220 24 24 ARG HB2 H 1.704 0.020 2 221 24 24 ARG HB3 H 1.621 0.020 2 222 24 24 ARG HG2 H 1.462 0.020 1 223 24 24 ARG HG3 H 1.462 0.020 1 224 24 24 ARG HD2 H 3.027 0.020 1 225 24 24 ARG HD3 H 3.027 0.020 1 226 24 24 ARG CA C 53.119 0.3 1 227 24 24 ARG CB C 27.423 0.3 1 228 24 24 ARG CG C 24.226 0.3 1 229 24 24 ARG CD C 40.443 0.3 1 230 24 24 ARG N N 121.861 0.3 1 231 25 25 ALA H H 8.163 0.020 1 232 25 25 ALA HA H 4.130 0.020 1 233 25 25 ALA HB H 1.236 0.020 1 234 25 25 ALA CA C 49.876 0.3 1 235 25 25 ALA CB C 16.075 0.3 1 236 25 25 ALA N N 124.853 0.3 1 237 26 26 GLU H H 8.250 0.020 1 238 26 26 GLU HA H 4.080 0.020 1 239 26 26 GLU HB2 H 1.886 0.020 2 240 26 26 GLU HB3 H 1.780 0.020 2 241 26 26 GLU HG2 H 2.135 0.020 1 242 26 26 GLU HG3 H 2.135 0.020 1 243 26 26 GLU CA C 53.605 0.3 1 244 26 26 GLU CB C 26.667 0.3 1 245 26 26 GLU CG C 32.926 0.3 1 246 26 26 GLU N N 119.357 0.3 1 247 27 27 LEU H H 8.037 0.020 1 248 27 27 LEU HA H 4.171 0.020 1 249 27 27 LEU HG H 1.462 0.020 1 250 27 27 LEU HD1 H 0.736 0.020 1 251 27 27 LEU HD2 H 0.736 0.020 1 252 27 27 LEU CA C 52.243 0.3 1 253 27 27 LEU CB C 39.149 0.3 1 254 27 27 LEU CG C 24.063 0.3 1 255 27 27 LEU CD1 C 22.030 0.3 1 256 27 27 LEU CD2 C 20.567 0.3 1 257 27 27 LEU N N 122.281 0.3 1 258 28 28 ASN H H 8.305 0.020 1 259 28 28 ASN HA H 4.535 0.020 1 260 28 28 ASN HB2 H 2.703 0.020 2 261 28 28 ASN HB3 H 2.602 0.020 2 262 28 28 ASN CA C 50.265 0.3 1 263 28 28 ASN CB C 35.821 0.3 1 264 28 28 ASN N N 119.118 0.3 1 265 29 29 GLN H H 8.233 0.020 1 266 29 29 GLN HA H 4.141 0.020 1 267 29 29 GLN HB2 H 1.977 0.020 2 268 29 29 GLN HB3 H 1.841 0.020 2 269 29 29 GLN HG2 H 2.165 0.020 1 270 29 29 GLN HG3 H 2.165 0.020 1 271 29 29 GLN CA C 52.957 0.3 1 272 29 29 GLN CB C 26.061 0.3 1 273 29 29 GLN N N 120.191 0.3 1 274 30 30 SER H H 8.248 0.020 1 275 30 30 SER HA H 4.292 0.020 1 276 30 30 SER HB2 H 3.730 0.020 1 277 30 30 SER HB3 H 3.730 0.020 1 278 30 30 SER CA C 55.518 0.3 1 279 30 30 SER CB C 60.786 0.3 1 280 30 30 SER N N 116.695 0.3 1 281 31 31 GLU H H 8.297 0.020 1 282 31 31 GLU HA H 4.179 0.020 1 283 31 31 GLU HB2 H 1.924 0.020 2 284 31 31 GLU HB3 H 1.754 0.020 2 285 31 31 GLU HG2 H 2.102 0.020 1 286 31 31 GLU HG3 H 2.102 0.020 1 287 31 31 GLU CA C 52.994 0.3 1 288 31 31 GLU CB C 27.120 0.3 1 289 31 31 GLU CG C 33.495 0.3 1 290 31 31 GLU N N 122.324 0.3 1 291 32 32 GLU H H 8.440 0.020 1 292 32 32 GLU HA H 4.080 0.020 1 293 32 32 GLU HB2 H 1.838 0.020 1 294 32 32 GLU HB3 H 1.838 0.020 1 295 32 32 GLU HG2 H 2.113 0.020 1 296 32 32 GLU HG3 H 2.113 0.020 1 297 32 32 GLU CA C 53.832 0.3 1 298 32 32 GLU CB C 27.120 0.3 1 299 32 32 GLU N N 121.780 0.3 1 300 34 34 GLU H H 8.431 0.020 1 301 34 34 GLU HA H 4.080 0.020 1 302 34 34 GLU HB2 H 1.893 0.020 2 303 34 34 GLU HB3 H 1.785 0.020 2 304 34 34 GLU HG2 H 2.166 0.020 1 305 34 34 GLU HG3 H 2.166 0.020 1 306 34 34 GLU CA C 53.335 0.3 1 307 34 34 GLU CB C 26.893 0.3 1 308 34 34 GLU CG C 32.926 0.3 1 309 34 34 GLU N N 121.105 0.3 1 310 35 35 ALA H H 8.296 0.020 1 311 35 35 ALA HA H 4.171 0.020 1 312 35 35 ALA HB H 1.245 0.020 1 313 35 35 ALA CA C 49.681 0.3 1 314 35 35 ALA CB C 16.151 0.3 1 315 35 35 ALA N N 125.374 0.3 1 316 36 36 GLY H H 8.247 0.020 1 317 36 36 GLY HA2 H 3.800 0.020 1 318 36 36 GLY HA3 H 3.800 0.020 1 319 36 36 GLY CA C 42.126 0.3 1 320 36 36 GLY N N 108.005 0.3 1 321 37 37 GLU H H 8.198 0.020 1 322 37 37 GLU HA H 4.171 0.020 1 323 37 37 GLU HB2 H 1.946 0.020 2 324 37 37 GLU HB3 H 1.795 0.020 2 325 37 37 GLU HG2 H 2.112 0.020 1 326 37 37 GLU HG3 H 2.112 0.020 1 327 37 37 GLU CA C 53.363 0.3 1 328 37 37 GLU CB C 27.196 0.3 1 329 37 37 GLU CG C 33.089 0.3 1 330 37 37 GLU N N 120.397 0.3 1 331 38 38 SER H H 8.362 0.020 1 332 38 38 SER HA H 4.353 0.020 1 333 38 38 SER HB2 H 3.744 0.020 1 334 38 38 SER HB3 H 3.744 0.020 1 335 38 38 SER CA C 55.356 0.3 1 336 38 38 SER CB C 60.635 0.3 1 337 38 38 SER N N 116.797 0.3 1 338 39 39 SER H H 8.378 0.020 1 339 39 39 SER HA H 4.429 0.020 1 340 39 39 SER HB2 H 3.763 0.020 1 341 39 39 SER HB3 H 3.763 0.020 1 342 39 39 SER CA C 55.421 0.3 1 343 39 39 SER CB C 60.560 0.3 1 344 39 39 SER N N 118.032 0.3 1 345 40 40 THR H H 8.141 0.020 1 346 40 40 THR HA H 4.292 0.020 1 347 40 40 THR HB H 4.164 0.020 1 348 40 40 THR HG2 H 1.075 0.020 1 349 40 40 THR CA C 58.988 0.3 1 350 40 40 THR CB C 66.612 0.3 1 351 40 40 THR N N 114.868 0.3 1 352 41 41 GLY H H 8.266 0.020 1 353 41 41 GLY HA2 H 3.869 0.020 1 354 41 41 GLY HA3 H 3.869 0.020 1 355 41 41 GLY CA C 42.320 0.3 1 356 41 41 GLY N N 110.981 0.3 1 357 42 42 GLY H H 8.012 0.020 1 358 42 42 GLY HA2 H 4.020 0.020 2 359 42 42 GLY HA3 H 3.899 0.020 2 360 42 42 GLY CA C 41.250 0.3 1 361 42 42 GLY N N 109.356 0.3 1 stop_ save_