data_17998 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Resonance assignments of the PPIase domain of FKBP42 from Arabidopsis thaliana ; _BMRB_accession_number 17998 _BMRB_flat_file_name bmr17998.str _Entry_type original _Submission_date 2011-10-14 _Accession_date 2011-10-14 _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 Burgardt Noelia I. . 2 Linnert Miriam . . 3 Weiwad Matthias . . 4 Geisler Markus . . 5 Luecke Christian . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 170 "13C chemical shifts" 682 "15N chemical shifts" 170 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2012-10-01 original author . stop_ _Original_release_date 2012-10-01 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'NMR assignments of the FKBP-type PPIase domain of FKBP42 from Arabidopsis thaliana' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 22198817 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Burgardt Noelia I. . 2 Linnert Miriam . . 3 Weiwad Matthias . . 4 Geisler Markus . . 5 Luecke Christian . . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_volume 6 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 185 _Page_last 188 _Year 2012 _Details . loop_ _Keyword 'FK506-binding protein' 'PPIase domain' 'signal transduction' 'twisted dwarf 1' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name FKBP42 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label FKBP42 $FKBP42 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_FKBP42 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common FKBP42 _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 180 _Mol_residue_sequence ; MDESLEHQTQTHDQESEIVT EGSAVVHSEPSQEGNVPPKV DSEAEVLDEKVSKQIIKEGH GSKPSKYSTCFLHYRAWTKN SQHKFEDTWHEQQPIELVLG KEKKELAGLAIGVASMKSGE RALVHVGWELAYGKEGNFSF PNVPPMADLLYEVEVIGFDE TKEGKARSDMTVEERIGAAD ; loop_ _Residue_seq_code _Residue_label 1 MET 2 ASP 3 GLU 4 SER 5 LEU 6 GLU 7 HIS 8 GLN 9 THR 10 GLN 11 THR 12 HIS 13 ASP 14 GLN 15 GLU 16 SER 17 GLU 18 ILE 19 VAL 20 THR 21 GLU 22 GLY 23 SER 24 ALA 25 VAL 26 VAL 27 HIS 28 SER 29 GLU 30 PRO 31 SER 32 GLN 33 GLU 34 GLY 35 ASN 36 VAL 37 PRO 38 PRO 39 LYS 40 VAL 41 ASP 42 SER 43 GLU 44 ALA 45 GLU 46 VAL 47 LEU 48 ASP 49 GLU 50 LYS 51 VAL 52 SER 53 LYS 54 GLN 55 ILE 56 ILE 57 LYS 58 GLU 59 GLY 60 HIS 61 GLY 62 SER 63 LYS 64 PRO 65 SER 66 LYS 67 TYR 68 SER 69 THR 70 CYS 71 PHE 72 LEU 73 HIS 74 TYR 75 ARG 76 ALA 77 TRP 78 THR 79 LYS 80 ASN 81 SER 82 GLN 83 HIS 84 LYS 85 PHE 86 GLU 87 ASP 88 THR 89 TRP 90 HIS 91 GLU 92 GLN 93 GLN 94 PRO 95 ILE 96 GLU 97 LEU 98 VAL 99 LEU 100 GLY 101 LYS 102 GLU 103 LYS 104 LYS 105 GLU 106 LEU 107 ALA 108 GLY 109 LEU 110 ALA 111 ILE 112 GLY 113 VAL 114 ALA 115 SER 116 MET 117 LYS 118 SER 119 GLY 120 GLU 121 ARG 122 ALA 123 LEU 124 VAL 125 HIS 126 VAL 127 GLY 128 TRP 129 GLU 130 LEU 131 ALA 132 TYR 133 GLY 134 LYS 135 GLU 136 GLY 137 ASN 138 PHE 139 SER 140 PHE 141 PRO 142 ASN 143 VAL 144 PRO 145 PRO 146 MET 147 ALA 148 ASP 149 LEU 150 LEU 151 TYR 152 GLU 153 VAL 154 GLU 155 VAL 156 ILE 157 GLY 158 PHE 159 ASP 160 GLU 161 THR 162 LYS 163 GLU 164 GLY 165 LYS 166 ALA 167 ARG 168 SER 169 ASP 170 MET 171 THR 172 VAL 173 GLU 174 GLU 175 ARG 176 ILE 177 GLY 178 ALA 179 ALA 180 ASP 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 PDB 2F4E "N-Terminal Domain Of Fkbp42 From Arabidopsis Thaliana" 100.00 180 100.00 100.00 5.46e-128 PDB 2IF4 "Crystal Structure Of A Multi-Domain Immunophilin From Arabidopsis Thaliana" 100.00 338 100.00 100.00 1.36e-127 DBJ BAB02359 "unnamed protein product [Arabidopsis thaliana]" 100.00 365 100.00 100.00 1.64e-126 EMBL CAC00654 "FKBP-like [Arabidopsis thaliana]" 100.00 365 100.00 100.00 1.64e-126 GB AAM13008 "FKBP-type peptidyl-prolyl cis-trans isomerases, putative [Arabidopsis thaliana]" 100.00 365 99.44 99.44 1.82e-125 GB AAN65079 "FKBP-type peptidyl-prolyl cis-trans isomerases, putative [Arabidopsis thaliana]" 100.00 365 99.44 99.44 1.82e-125 GB AEE76533 "putative peptidyl-prolyl cis-trans isomerase FKBP42 [Arabidopsis thaliana]" 100.00 365 100.00 100.00 1.64e-126 REF NP_188801 "putative peptidyl-prolyl cis-trans isomerase FKBP42 [Arabidopsis thaliana]" 100.00 365 100.00 100.00 1.64e-126 SP Q9LDC0 "RecName: Full=Peptidyl-prolyl cis-trans isomerase FKBP42; Short=PPIase FKBP42; AltName: Full=42 kDa peptidyl-prolyl isomerase; " 100.00 365 100.00 100.00 1.64e-126 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $FKBP42 'Thale cress' 3702 Eukaryota Viridiplantae Arabidopsis thaliana 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 $FKBP42 'recombinant technology' . Escherichia coli BL21 pET28a 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 $FKBP42 0.7 mM [U-15N] 'sodium phosphate' 10 mM 'natural abundance' 'sodium azide' 0.05 mM 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $FKBP42 2 mM '[U-13C; U-15N]' 'sodium phosphate' 10 mM 'natural abundance' 'sodium azide' 0.05 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_xwinnmr _Saveframe_category software _Name xwinnmr _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection processing stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 500 _Details . 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_2D_1H-15N_TROSY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N TROSY' _Sample_label $sample_2 save_ save_2D_1H-13C_HSQC_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_2 save_ save_3D_HNCA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_2 save_ save_3D_HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_2 save_ save_3D_HNCO_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_2 save_ save_3D_HN(CA)CO_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $sample_2 save_ save_3D_CC(CO)NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CC(CO)NH' _Sample_label $sample_2 save_ save_3D_H(CC)(CO)NH_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CC)(CO)NH' _Sample_label $sample_2 save_ save_3D_HNCACB_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_2 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' 10 . mM pH 7.0 . 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 '3D HNCA' '3D HNCACB' '3D HNCO' '3D HN(CA)CO' '3D CC(CO)NH' '3D H(CC)(CO)NH' stop_ loop_ _Sample_label $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name FKBP42 _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 2 2 ASP C C 176.0 0.1 1 2 2 2 ASP CA C 54.5 0.1 1 3 2 2 ASP CB C 41.1 0.1 1 4 3 3 GLU H H 8.68 0.01 1 5 3 3 GLU C C 176.7 0.1 1 6 3 3 GLU CA C 57.2 0.1 1 7 3 3 GLU CB C 30.0 0.1 1 8 3 3 GLU CG C 36.4 0.1 1 9 3 3 GLU N N 122.8 0.1 1 10 4 4 SER H H 8.43 0.01 1 11 4 4 SER C C 174.9 0.1 1 12 4 4 SER CA C 58.8 0.1 1 13 4 4 SER CB C 63.7 0.1 1 14 4 4 SER N N 116.6 0.1 1 15 5 5 LEU H H 8.11 0.01 1 16 5 5 LEU C C 177.7 0.1 1 17 5 5 LEU CA C 55.4 0.1 1 18 5 5 LEU CB C 42.2 0.1 1 19 5 5 LEU CG C 27.0 0.1 1 20 5 5 LEU CD1 C 25.0 0.1 2 21 5 5 LEU CD2 C 23.3 0.1 2 22 5 5 LEU N N 123.8 0.1 1 23 6 6 GLU H H 8.18 0.01 1 24 6 6 GLU C C 176.5 0.1 1 25 6 6 GLU CA C 57.0 0.1 1 26 6 6 GLU CB C 30.1 0.1 1 27 6 6 GLU CG C 36.2 0.1 1 28 6 6 GLU N N 120.4 0.1 1 29 7 7 HIS H H 8.18 0.01 1 30 7 7 HIS C C 175.2 0.1 1 31 7 7 HIS CA C 56.1 0.1 1 32 7 7 HIS CB C 30.2 0.1 1 33 7 7 HIS N N 119.3 0.1 1 34 8 8 GLN H H 8.27 0.01 1 35 8 8 GLN C C 176.1 0.1 1 36 8 8 GLN CA C 55.8 0.1 1 37 8 8 GLN CB C 29.3 0.1 1 38 8 8 GLN CG C 33.8 0.1 1 39 8 8 GLN N N 121.4 0.1 1 40 9 9 THR H H 8.21 0.01 1 41 9 9 THR C C 174.4 0.1 1 42 9 9 THR CA C 62.1 0.1 1 43 9 9 THR CB C 69.8 0.1 1 44 9 9 THR CG2 C 21.6 0.1 1 45 9 9 THR N N 115.8 0.1 1 46 10 10 GLN H H 8.39 0.01 1 47 10 10 GLN C C 176.0 0.1 1 48 10 10 GLN CA C 55.7 0.1 1 49 10 10 GLN CB C 29.6 0.1 1 50 10 10 GLN CG C 33.7 0.1 1 51 10 10 GLN N N 123.0 0.1 1 52 11 11 THR H H 8.17 0.01 1 53 11 11 THR C C 174.3 0.1 1 54 11 11 THR CA C 61.7 0.1 1 55 11 11 THR CB C 69.8 0.1 1 56 11 11 THR CG2 C 21.5 0.1 1 57 11 11 THR N N 115.5 0.1 1 58 12 12 HIS H H 8.38 0.01 1 59 12 12 HIS C C 174.8 0.1 1 60 12 12 HIS CA C 55.9 0.1 1 61 12 12 HIS CB C 30.1 0.1 1 62 12 12 HIS N N 121.2 0.1 1 63 13 13 ASP H H 8.37 0.01 1 64 13 13 ASP C C 176.2 0.1 1 65 13 13 ASP CA C 54.6 0.1 1 66 13 13 ASP CB C 41.1 0.1 1 67 13 13 ASP N N 121.8 0.1 1 68 14 14 GLN H H 8.35 0.01 1 69 14 14 GLN C C 176.2 0.1 1 70 14 14 GLN CA C 56.1 0.1 1 71 14 14 GLN CB C 29.4 0.1 1 72 14 14 GLN CG C 33.8 0.1 1 73 14 14 GLN N N 120.3 0.1 1 74 15 15 GLU H H 8.43 0.01 1 75 15 15 GLU C C 176.7 0.1 1 76 15 15 GLU CA C 56.9 0.1 1 77 15 15 GLU CB C 30.1 0.1 1 78 15 15 GLU CG C 36.4 0.1 1 79 15 15 GLU N N 121.9 0.1 1 80 16 16 SER H H 8.19 0.01 1 81 16 16 SER C C 174.3 0.1 1 82 16 16 SER CA C 58.5 0.1 1 83 16 16 SER CB C 63.9 0.1 1 84 16 16 SER N N 116.3 0.1 1 85 17 17 GLU H H 8.32 0.01 1 86 17 17 GLU C C 176.2 0.1 1 87 17 17 GLU CA C 56.5 0.1 1 88 17 17 GLU CB C 30.4 0.1 1 89 17 17 GLU CG C 36.3 0.1 1 90 17 17 GLU N N 122.9 0.1 1 91 18 18 ILE H H 8.13 0.01 1 92 18 18 ILE C C 176.2 0.1 1 93 18 18 ILE CA C 61.1 0.1 1 94 18 18 ILE CB C 38.5 0.1 1 95 18 18 ILE CG1 C 27.7 0.1 1 96 18 18 ILE CG2 C 17.6 0.1 1 97 18 18 ILE CD1 C 12.8 0.1 1 98 18 18 ILE N N 122.6 0.1 1 99 19 19 VAL H H 8.27 0.01 1 100 19 19 VAL C C 176.3 0.1 1 101 19 19 VAL CA C 62.2 0.1 1 102 19 19 VAL CB C 32.7 0.1 1 103 19 19 VAL CG1 C 21.1 0.1 1 104 19 19 VAL CG2 C 21.1 0.1 1 105 19 19 VAL N N 126.0 0.1 1 106 20 20 THR H H 8.28 0.01 1 107 20 20 THR C C 174.5 0.1 1 108 20 20 THR CA C 61.7 0.1 1 109 20 20 THR CB C 69.9 0.1 1 110 20 20 THR CG2 C 21.4 0.1 1 111 20 20 THR N N 119.2 0.1 1 112 21 21 GLU H H 8.44 0.01 1 113 21 21 GLU C C 176.9 0.1 1 114 21 21 GLU CA C 56.9 0.1 1 115 21 21 GLU CB C 30.2 0.1 1 116 21 21 GLU CG C 36.2 0.1 1 117 21 21 GLU N N 124.1 0.1 1 118 22 22 GLY H H 8.46 0.01 1 119 22 22 GLY C C 174.3 0.1 1 120 22 22 GLY CA C 45.3 0.1 1 121 22 22 GLY N N 110.6 0.1 1 122 23 23 SER H H 8.11 0.01 1 123 23 23 SER C C 174.2 0.1 1 124 23 23 SER CA C 58.3 0.1 1 125 23 23 SER CB C 63.9 0.1 1 126 23 23 SER N N 115.6 0.1 1 127 24 24 ALA H H 8.28 0.01 1 128 24 24 ALA C C 177.5 0.1 1 129 24 24 ALA CA C 52.4 0.1 1 130 24 24 ALA CB C 19.2 0.1 1 131 24 24 ALA N N 126.0 0.1 1 132 25 25 VAL H H 7.99 0.01 1 133 25 25 VAL C C 175.9 0.1 1 134 25 25 VAL CA C 62.3 0.1 1 135 25 25 VAL CB C 32.7 0.1 1 136 25 25 VAL CG1 C 21.1 0.1 1 137 25 25 VAL CG2 C 21.1 0.1 1 138 25 25 VAL N N 120.1 0.1 1 139 26 26 VAL H H 8.16 0.01 1 140 26 26 VAL C C 175.8 0.1 1 141 26 26 VAL CA C 62.1 0.1 1 142 26 26 VAL CB C 32.8 0.1 1 143 26 26 VAL CG1 C 20.8 0.1 1 144 26 26 VAL CG2 C 20.8 0.1 1 145 26 26 VAL N N 125.0 0.1 1 146 27 27 HIS H H 8.51 0.01 1 147 27 27 HIS C C 174.9 0.1 1 148 27 27 HIS CA C 55.8 0.1 1 149 27 27 HIS CB C 30.7 0.1 1 150 27 27 HIS N N 124.4 0.1 1 151 28 28 SER H H 8.26 0.01 1 152 28 28 SER C C 173.8 0.1 1 153 28 28 SER CA C 58.0 0.1 1 154 28 28 SER CB C 64.0 0.1 1 155 28 28 SER N N 118.3 0.1 1 156 29 29 GLU H H 8.44 0.01 1 157 29 29 GLU C C 174.7 0.1 1 158 29 29 GLU CA C 54.4 0.1 1 159 29 29 GLU CB C 30.2 0.1 1 160 29 29 GLU N N 124.1 0.1 1 161 30 30 PRO C C 177.1 0.1 1 162 30 30 PRO CA C 63.4 0.1 1 163 30 30 PRO CB C 32.1 0.1 1 164 30 30 PRO CG C 27.5 0.1 1 165 30 30 PRO CD C 50.6 0.1 1 166 31 31 SER H H 8.40 0.01 1 167 31 31 SER C C 175.0 0.1 1 168 31 31 SER CA C 58.5 0.1 1 169 31 31 SER CB C 63.8 0.1 1 170 31 31 SER N N 115.8 0.1 1 171 32 32 GLN H H 8.54 0.01 1 172 32 32 GLN C C 176.1 0.1 1 173 32 32 GLN CA C 55.8 0.1 1 174 32 32 GLN CB C 29.5 0.1 1 175 32 32 GLN CG C 33.8 0.1 1 176 32 32 GLN N N 122.6 0.1 1 177 33 33 GLU H H 8.35 0.01 1 178 33 33 GLU C C 177.1 0.1 1 179 33 33 GLU CA C 57.2 0.1 1 180 33 33 GLU CB C 30.2 0.1 1 181 33 33 GLU CG C 36.1 0.1 1 182 33 33 GLU N N 122.1 0.1 1 183 34 34 GLY H H 8.64 0.01 1 184 34 34 GLY C C 174.4 0.1 1 185 34 34 GLY CA C 45.7 0.1 1 186 34 34 GLY N N 110.7 0.1 1 187 35 35 ASN H H 8.35 0.01 1 188 35 35 ASN C C 175.7 0.1 1 189 35 35 ASN CA C 54.7 0.1 1 190 35 35 ASN CB C 39.1 0.1 1 191 35 35 ASN N N 117.9 0.1 1 192 36 36 VAL H H 7.75 0.01 1 193 36 36 VAL C C 172.5 0.1 1 194 36 36 VAL CA C 58.6 0.1 1 195 36 36 VAL CB C 32.6 0.1 1 196 36 36 VAL N N 116.8 0.1 1 197 38 38 PRO C C 174.7 0.1 1 198 38 38 PRO CA C 62.1 0.1 1 199 38 38 PRO CB C 31.9 0.1 1 200 38 38 PRO CG C 27.3 0.1 1 201 38 38 PRO CD C 50.4 0.1 1 202 39 39 LYS H H 8.05 0.01 1 203 39 39 LYS C C 175.9 0.1 1 204 39 39 LYS CA C 55.7 0.1 1 205 39 39 LYS CB C 32.8 0.1 1 206 39 39 LYS CG C 24.8 0.1 1 207 39 39 LYS CD C 29.2 0.1 1 208 39 39 LYS CE C 42.2 0.1 1 209 39 39 LYS N N 121.2 0.1 1 210 40 40 VAL H H 8.37 0.01 1 211 40 40 VAL C C 174.9 0.1 1 212 40 40 VAL CA C 61.0 0.1 1 213 40 40 VAL CB C 34.6 0.1 1 214 40 40 VAL CG1 C 22.4 0.1 1 215 40 40 VAL CG2 C 22.4 0.1 1 216 40 40 VAL N N 125.1 0.1 1 217 41 41 ASP H H 8.64 0.01 1 218 41 41 ASP C C 175.9 0.1 1 219 41 41 ASP CA C 53.7 0.1 1 220 41 41 ASP CB C 41.5 0.1 1 221 41 41 ASP N N 124.7 0.1 1 222 42 42 SER H H 7.20 0.01 1 223 42 42 SER C C 174.4 0.1 1 224 42 42 SER CA C 57.0 0.1 1 225 42 42 SER CB C 64.4 0.1 1 226 42 42 SER N N 114.1 0.1 1 227 43 43 GLU H H 8.72 0.01 1 228 43 43 GLU C C 176.2 0.1 1 229 43 43 GLU CA C 56.9 0.1 1 230 43 43 GLU CB C 30.1 0.1 1 231 43 43 GLU CG C 36.2 0.1 1 232 43 43 GLU N N 122.6 0.1 1 233 44 44 ALA H H 8.67 0.01 1 234 44 44 ALA C C 176.6 0.1 1 235 44 44 ALA CA C 51.4 0.1 1 236 44 44 ALA CB C 18.6 0.1 1 237 44 44 ALA N N 127.1 0.1 1 238 45 45 GLU H H 9.13 0.01 1 239 45 45 GLU C C 176.0 0.1 1 240 45 45 GLU CA C 55.0 0.1 1 241 45 45 GLU CB C 31.6 0.1 1 242 45 45 GLU CG C 35.9 0.1 1 243 45 45 GLU N N 125.6 0.1 1 244 46 46 VAL H H 8.90 0.01 1 245 46 46 VAL C C 176.1 0.1 1 246 46 46 VAL CA C 64.3 0.1 1 247 46 46 VAL CB C 31.6 0.1 9 248 46 46 VAL CG1 C 20.9 0.1 2 249 46 46 VAL CG2 C 20.5 0.1 2 250 46 46 VAL N N 128.4 0.1 1 251 47 47 LEU H H 8.31 0.01 1 252 47 47 LEU C C 175.7 0.1 1 253 47 47 LEU CA C 54.6 0.1 1 254 47 47 LEU CB C 43.4 0.1 1 255 47 47 LEU CD1 C 27.3 0.1 2 256 47 47 LEU CD2 C 22.3 0.1 2 257 47 47 LEU N N 128.7 0.1 1 258 48 48 ASP H H 8.56 0.01 1 259 48 48 ASP C C 173.9 0.1 1 260 48 48 ASP CA C 53.0 0.1 1 261 48 48 ASP CB C 46.0 0.1 1 262 48 48 ASP N N 119.5 0.1 1 263 49 49 GLU H H 8.67 0.01 1 264 49 49 GLU C C 177.4 0.1 1 265 49 49 GLU CA C 60.1 0.1 1 266 49 49 GLU CB C 30.0 0.1 1 267 49 49 GLU CG C 36.6 0.1 1 268 49 49 GLU N N 124.4 0.1 1 269 50 50 LYS H H 9.29 0.01 1 270 50 50 LYS C C 176.2 0.1 1 271 50 50 LYS CA C 53.8 0.1 1 272 50 50 LYS CB C 33.0 0.1 1 273 50 50 LYS CG C 25.2 0.1 9 274 50 50 LYS CD C 28.1 0.1 1 275 50 50 LYS CE C 42.4 0.1 1 276 50 50 LYS N N 113.9 0.1 1 277 51 51 VAL H H 7.38 0.01 1 278 51 51 VAL C C 174.6 0.1 1 279 51 51 VAL CA C 61.6 0.1 1 280 51 51 VAL CB C 36.4 0.1 1 281 51 51 VAL CG1 C 22.4 0.1 2 282 51 51 VAL CG2 C 21.8 0.1 2 283 51 51 VAL N N 117.4 0.1 1 284 52 52 SER H H 8.82 0.01 1 285 52 52 SER C C 172.7 0.1 1 286 52 52 SER CA C 56.8 0.1 1 287 52 52 SER CB C 66.6 0.1 1 288 52 52 SER N N 121.7 0.1 1 289 53 53 LYS H H 9.19 0.01 1 290 53 53 LYS C C 175.2 0.1 1 291 53 53 LYS CA C 55.0 0.1 1 292 53 53 LYS CB C 37.4 0.1 1 293 53 53 LYS CG C 24.7 0.1 9 294 53 53 LYS CD C 27.7 0.1 9 295 53 53 LYS CE C 42.0 0.1 9 296 53 53 LYS N N 121.1 0.1 1 297 54 54 GLN H H 9.49 0.01 1 298 54 54 GLN C C 175.2 0.1 1 299 54 54 GLN CA C 54.3 0.1 1 300 54 54 GLN CB C 34.5 0.1 1 301 54 54 GLN CG C 35.9 0.1 1 302 54 54 GLN N N 124.5 0.1 1 303 55 55 ILE H H 9.20 0.01 1 304 55 55 ILE C C 176.0 0.1 1 305 55 55 ILE CA C 65.0 0.1 1 306 55 55 ILE CB C 38.6 0.1 1 307 55 55 ILE CG1 C 29.3 0.1 9 308 55 55 ILE CG2 C 17.0 0.1 1 309 55 55 ILE CD1 C 13.9 0.1 9 310 55 55 ILE N N 126.1 0.1 1 311 56 56 ILE H H 9.15 0.01 1 312 56 56 ILE C C 175.4 0.1 1 313 56 56 ILE CA C 63.2 0.1 1 314 56 56 ILE CB C 40.1 0.1 1 315 56 56 ILE CG2 C 17.3 0.1 1 316 56 56 ILE CD1 C 14.7 0.1 1 317 56 56 ILE N N 128.4 0.1 1 318 57 57 LYS H H 8.25 0.01 1 319 57 57 LYS C C 174.4 0.1 1 320 57 57 LYS CA C 55.1 0.1 1 321 57 57 LYS CB C 36.4 0.1 1 322 57 57 LYS CG C 24.6 0.1 1 323 57 57 LYS CD C 29.5 0.1 1 324 57 57 LYS CE C 42.2 0.1 1 325 57 57 LYS N N 121.2 0.1 1 326 58 58 GLU H H 8.73 0.01 1 327 58 58 GLU C C 177.6 0.1 1 328 58 58 GLU CA C 57.2 0.1 1 329 58 58 GLU CB C 30.7 0.1 1 330 58 58 GLU CG C 36.4 0.1 1 331 58 58 GLU N N 125.2 0.1 1 332 59 59 GLY H H 9.89 0.01 1 333 59 59 GLY C C 172.7 0.1 1 334 59 59 GLY CA C 43.4 0.1 1 335 59 59 GLY N N 111.0 0.1 1 336 60 60 HIS H H 8.42 0.01 1 337 60 60 HIS C C 174.5 0.1 1 338 60 60 HIS CA C 54.6 0.1 1 339 60 60 HIS CB C 32.7 0.1 1 340 60 60 HIS N N 116.8 0.1 1 341 61 61 GLY H H 8.69 0.01 1 342 61 61 GLY C C 173.4 0.1 1 343 61 61 GLY CA C 45.2 0.1 1 344 61 61 GLY N N 110.2 0.1 1 345 62 62 SER H H 8.48 0.01 1 346 62 62 SER C C 174.4 0.1 1 347 62 62 SER CA C 57.7 0.1 1 348 62 62 SER CB C 65.0 0.1 1 349 62 62 SER N N 116.6 0.1 1 350 63 63 LYS H H 8.21 0.01 1 351 63 63 LYS C C 174.7 0.1 1 352 63 63 LYS CA C 55.2 0.1 1 353 63 63 LYS CB C 31.6 0.1 1 354 63 63 LYS N N 121.6 0.1 1 355 64 64 PRO C C 176.0 0.1 1 356 64 64 PRO CA C 62.5 0.1 1 357 64 64 PRO CB C 31.5 0.1 1 358 64 64 PRO CG C 27.5 0.1 1 359 64 64 PRO CD C 50.1 0.1 1 360 65 65 SER H H 7.43 0.01 1 361 65 65 SER C C 174.8 0.1 1 362 65 65 SER CA C 56.8 0.1 1 363 65 65 SER CB C 64.8 0.1 1 364 65 65 SER N N 114.0 0.1 1 365 66 66 LYS H H 8.12 0.01 1 366 66 66 LYS C C 176.1 0.1 9 367 66 66 LYS CA C 55.3 0.1 1 368 66 66 LYS CE C 42.6 0.1 1 369 66 66 LYS N N 122.0 0.1 1 370 67 67 TYR H H 8.90 0.01 1 371 67 67 TYR C C 175.6 0.1 1 372 67 67 TYR CA C 55.2 0.1 1 373 67 67 TYR N N 123.9 0.1 1 374 68 68 SER H H 7.68 0.01 1 375 68 68 SER C C 173.1 0.1 1 376 68 68 SER CA C 60.5 0.1 1 377 68 68 SER CB C 64.4 0.1 1 378 68 68 SER N N 116.0 0.1 1 379 69 69 THR H H 8.56 0.01 1 380 69 69 THR C C 173.4 0.1 1 381 69 69 THR CA C 63.1 0.1 1 382 69 69 THR CB C 69.2 0.1 1 383 69 69 THR CG2 C 22.0 0.1 1 384 69 69 THR N N 119.5 0.1 1 385 70 70 CYS H H 9.02 0.01 1 386 70 70 CYS C C 172.2 0.1 1 387 70 70 CYS CA C 57.4 0.1 1 388 70 70 CYS CB C 29.6 0.1 1 389 70 70 CYS N N 125.3 0.1 1 390 71 71 PHE H H 8.71 0.01 1 391 71 71 PHE C C 175.4 0.1 1 392 71 71 PHE CA C 55.9 0.1 1 393 71 71 PHE CB C 39.9 0.1 1 394 71 71 PHE N N 123.5 0.1 1 395 72 72 LEU H H 9.03 0.01 1 396 72 72 LEU C C 174.0 0.1 1 397 72 72 LEU CA C 54.2 0.1 1 398 72 72 LEU CB C 45.3 0.1 1 399 72 72 LEU CD1 C 27.8 0.1 1 400 72 72 LEU CD2 C 27.8 0.1 1 401 72 72 LEU N N 121.8 0.1 1 402 73 73 HIS H H 8.23 0.01 1 403 73 73 HIS C C 175.3 0.1 1 404 73 73 HIS CA C 54.2 0.1 1 405 73 73 HIS CB C 34.8 0.1 1 406 73 73 HIS N N 118.5 0.1 1 407 74 74 TYR H H 9.16 0.01 1 408 74 74 TYR C C 173.3 0.1 1 409 74 74 TYR CA C 57.6 0.1 1 410 74 74 TYR CB C 41.3 0.1 1 411 74 74 TYR N N 114.9 0.1 1 412 75 75 ARG H H 8.99 0.01 1 413 75 75 ARG C C 174.4 0.1 1 414 75 75 ARG CA C 54.1 0.1 1 415 75 75 ARG CB C 35.3 0.1 1 416 75 75 ARG CD C 44.1 0.1 9 417 75 75 ARG N N 116.7 0.1 1 418 76 76 ALA H H 7.57 0.01 1 419 76 76 ALA C C 174.3 0.1 1 420 76 76 ALA CA C 50.7 0.1 1 421 76 76 ALA CB C 24.8 0.1 1 422 76 76 ALA N N 123.0 0.1 1 423 77 77 TRP H H 9.24 0.01 1 424 77 77 TRP C C 178.0 0.1 1 425 77 77 TRP CA C 56.2 0.1 1 426 77 77 TRP CB C 34.1 0.1 1 427 77 77 TRP N N 118.7 0.1 1 428 78 78 THR H H 8.72 0.01 1 429 78 78 THR C C 176.0 0.1 1 430 78 78 THR CA C 61.0 0.1 1 431 78 78 THR CB C 68.6 0.1 1 432 78 78 THR CG2 C 23.7 0.1 1 433 78 78 THR N N 111.2 0.1 1 434 79 79 LYS H H 8.64 0.01 1 435 79 79 LYS C C 178.2 0.1 1 436 79 79 LYS CA C 60.1 0.1 1 437 79 79 LYS CB C 33.4 0.1 1 438 79 79 LYS CG C 26.2 0.1 1 439 79 79 LYS CD C 29.9 0.1 1 440 79 79 LYS CE C 41.9 0.1 1 441 79 79 LYS N N 124.5 0.1 1 442 80 80 ASN H H 8.97 0.01 1 443 80 80 ASN C C 176.4 0.1 1 444 80 80 ASN CA C 55.7 0.1 1 445 80 80 ASN CB C 37.7 0.1 1 446 80 80 ASN N N 115.9 0.1 1 447 81 81 SER H H 8.05 0.01 1 448 81 81 SER C C 174.1 0.1 1 449 81 81 SER CA C 58.1 0.1 1 450 81 81 SER CB C 63.7 0.1 1 451 81 81 SER N N 117.6 0.1 1 452 82 82 GLN H H 7.76 0.01 1 453 82 82 GLN C C 174.7 0.1 1 454 82 82 GLN CA C 57.2 0.1 1 455 82 82 GLN CB C 26.8 0.1 1 456 82 82 GLN CG C 34.7 0.1 1 457 82 82 GLN N N 118.1 0.1 1 458 83 83 HIS H H 7.76 0.01 1 459 83 83 HIS C C 174.6 0.1 1 460 83 83 HIS CA C 55.7 0.1 1 461 83 83 HIS CB C 31.0 0.1 1 462 83 83 HIS N N 118.5 0.1 1 463 84 84 LYS H H 8.79 0.01 1 464 84 84 LYS C C 176.1 0.1 1 465 84 84 LYS CA C 56.0 0.1 1 466 84 84 LYS CB C 31.5 0.1 1 467 84 84 LYS N N 130.0 0.1 1 468 85 85 PHE H H 8.24 0.01 1 469 85 85 PHE C C 174.5 0.1 1 470 85 85 PHE CA C 56.1 0.1 1 471 85 85 PHE CB C 40.2 0.1 1 472 85 85 PHE N N 122.9 0.1 1 473 86 86 GLU H H 6.86 0.01 1 474 86 86 GLU C C 174.8 0.1 1 475 86 86 GLU CA C 56.0 0.1 1 476 86 86 GLU CB C 34.6 0.1 1 477 86 86 GLU CG C 37.1 0.1 1 478 86 86 GLU N N 121.2 0.1 1 479 87 87 ASP H H 9.03 0.01 1 480 87 87 ASP C C 176.5 0.1 1 481 87 87 ASP CA C 54.1 0.1 1 482 87 87 ASP CB C 41.5 0.1 1 483 87 87 ASP N N 121.0 0.1 1 484 88 88 THR H H 9.30 0.01 1 485 88 88 THR C C 177.8 0.1 1 486 88 88 THR CA C 65.2 0.1 1 487 88 88 THR CB C 66.5 0.1 1 488 88 88 THR CG2 C 20.7 0.1 1 489 88 88 THR N N 119.0 0.1 1 490 89 89 TRP H H 7.76 0.01 1 491 89 89 TRP C C 180.1 0.1 1 492 89 89 TRP CA C 63.3 0.1 1 493 89 89 TRP CB C 27.8 0.1 1 494 89 89 TRP N N 123.2 0.1 1 495 90 90 HIS H H 7.89 0.01 1 496 90 90 HIS C C 176.8 0.1 1 497 90 90 HIS CA C 58.6 0.1 1 498 90 90 HIS CB C 29.5 0.1 1 499 90 90 HIS N N 119.3 0.1 1 500 91 91 GLU H H 7.43 0.01 1 501 91 91 GLU C C 175.7 0.1 1 502 91 91 GLU CA C 56.1 0.1 1 503 91 91 GLU CB C 30.0 0.1 1 504 91 91 GLU CG C 36.2 0.1 1 505 91 91 GLU N N 116.3 0.1 1 506 92 92 GLN H H 7.96 0.01 1 507 92 92 GLN C C 175.4 0.1 1 508 92 92 GLN CA C 57.1 0.1 1 509 92 92 GLN CB C 27.0 0.1 1 510 92 92 GLN CG C 34.2 0.1 1 511 92 92 GLN N N 115.3 0.1 1 512 93 93 GLN H H 7.68 0.01 1 513 93 93 GLN C C 171.6 0.1 1 514 93 93 GLN CA C 52.7 0.1 1 515 93 93 GLN CB C 30.7 0.1 1 516 93 93 GLN N N 116.4 0.1 1 517 94 94 PRO C C 176.5 0.1 1 518 94 94 PRO CA C 62.8 0.1 9 519 94 94 PRO CB C 32.0 0.1 1 520 94 94 PRO CG C 26.4 0.1 1 521 94 94 PRO CD C 50.3 0.1 1 522 95 95 ILE H H 8.50 0.01 1 523 95 95 ILE C C 174.8 0.1 1 524 95 95 ILE CA C 59.3 0.1 1 525 95 95 ILE CB C 40.3 0.1 1 526 95 95 ILE CG1 C 27.0 0.1 1 527 95 95 ILE CG2 C 19.0 0.1 1 528 95 95 ILE CD1 C 14.0 0.1 1 529 95 95 ILE N N 115.9 0.1 1 530 96 96 GLU H H 8.08 0.01 1 531 96 96 GLU C C 175.5 0.1 1 532 96 96 GLU CA C 54.2 0.1 1 533 96 96 GLU CB C 31.7 0.1 1 534 96 96 GLU CG C 36.0 0.1 1 535 96 96 GLU N N 121.0 0.1 1 536 97 97 LEU H H 8.92 0.01 1 537 97 97 LEU C C 174.2 0.1 1 538 97 97 LEU CA C 54.3 0.1 1 539 97 97 LEU CB C 46.4 0.1 1 540 97 97 LEU CG C 27.7 0.1 1 541 97 97 LEU CD1 C 25.8 0.1 2 542 97 97 LEU CD2 C 25.8 0.1 2 543 97 97 LEU N N 127.9 0.1 1 544 98 98 VAL H H 8.71 0.01 1 545 98 98 VAL C C 176.0 0.1 1 546 98 98 VAL CA C 61.3 0.1 1 547 98 98 VAL CB C 31.0 0.1 1 548 98 98 VAL CG1 C 20.9 0.1 1 549 98 98 VAL CG2 C 20.9 0.1 1 550 98 98 VAL N N 129.6 0.1 1 551 99 99 LEU H H 7.94 0.01 1 552 99 99 LEU C C 177.6 0.1 1 553 99 99 LEU CA C 56.5 0.1 1 554 99 99 LEU CB C 41.0 0.1 1 555 99 99 LEU CG C 26.9 0.1 1 556 99 99 LEU CD1 C 25.7 0.1 2 557 99 99 LEU CD2 C 23.2 0.1 2 558 99 99 LEU N N 128.3 0.1 1 559 100 100 GLY H H 9.15 0.01 1 560 100 100 GLY C C 175.0 0.1 1 561 100 100 GLY CA C 45.0 0.1 1 562 100 100 GLY N N 114.6 0.1 1 563 101 101 LYS H H 8.25 0.01 1 564 101 101 LYS C C 176.1 0.1 1 565 101 101 LYS CA C 54.5 0.1 1 566 101 101 LYS CB C 33.4 0.1 1 567 101 101 LYS CG C 25.5 0.1 1 568 101 101 LYS CD C 29.4 0.1 1 569 101 101 LYS CE C 42.2 0.1 1 570 101 101 LYS N N 120.6 0.1 1 571 102 102 GLU H H 9.45 0.01 1 572 102 102 GLU C C 176.1 0.1 1 573 102 102 GLU CA C 56.2 0.1 1 574 102 102 GLU CB C 29.2 0.1 1 575 102 102 GLU CG C 34.7 0.1 1 576 102 102 GLU N N 124.3 0.1 1 577 103 103 LYS H H 7.95 0.01 1 578 103 103 LYS C C 177.8 0.1 1 579 103 103 LYS CA C 56.3 0.1 1 580 103 103 LYS CB C 33.1 0.1 1 581 103 103 LYS CG C 25.2 0.1 1 582 103 103 LYS CD C 29.7 0.1 1 583 103 103 LYS CE C 42.0 0.1 1 584 103 103 LYS N N 121.1 0.1 1 585 104 104 LYS H H 8.42 0.01 1 586 104 104 LYS C C 178.8 0.1 1 587 104 104 LYS CA C 59.7 0.1 1 588 104 104 LYS CB C 32.3 0.1 1 589 104 104 LYS CG C 24.1 0.1 1 590 104 104 LYS CD C 29.2 0.1 1 591 104 104 LYS CE C 42.2 0.1 1 592 104 104 LYS N N 122.8 0.1 1 593 105 105 GLU H H 9.46 0.01 1 594 105 105 GLU C C 175.0 0.1 1 595 105 105 GLU CA C 58.3 0.1 1 596 105 105 GLU CB C 27.0 0.1 1 597 105 105 GLU CG C 36.3 0.1 1 598 105 105 GLU N N 117.6 0.1 1 599 106 106 LEU H H 7.54 0.01 1 600 106 106 LEU C C 176.6 0.1 1 601 106 106 LEU CA C 53.0 0.1 1 602 106 106 LEU CB C 41.4 0.1 1 603 106 106 LEU CG C 27.2 0.1 9 604 106 106 LEU CD1 C 26.0 0.1 2 605 106 106 LEU CD2 C 22.1 0.1 2 606 106 106 LEU N N 116.1 0.1 1 607 107 107 ALA H H 7.53 0.01 1 608 107 107 ALA C C 181.1 0.1 1 609 107 107 ALA CA C 56.0 0.1 1 610 107 107 ALA CB C 18.5 0.1 1 611 107 107 ALA N N 123.4 0.1 1 612 108 108 GLY H H 8.65 0.01 1 613 108 108 GLY C C 174.8 0.1 1 614 108 108 GLY CA C 47.5 0.1 1 615 108 108 GLY N N 106.0 0.1 1 616 109 109 LEU H H 8.13 0.01 1 617 109 109 LEU C C 178.1 0.1 1 618 109 109 LEU CA C 58.0 0.1 1 619 109 109 LEU CB C 39.9 0.1 1 620 109 109 LEU CG C 26.8 0.1 9 621 109 109 LEU CD1 C 25.3 0.1 2 622 109 109 LEU CD2 C 22.2 0.1 2 623 109 109 LEU N N 123.7 0.1 1 624 110 110 ALA H H 8.53 0.01 1 625 110 110 ALA C C 179.7 0.1 1 626 110 110 ALA CA C 55.4 0.1 1 627 110 110 ALA CB C 18.1 0.1 1 628 110 110 ALA N N 119.1 0.1 1 629 111 111 ILE H H 7.39 0.01 1 630 111 111 ILE C C 178.8 0.1 1 631 111 111 ILE CA C 65.6 0.1 1 632 111 111 ILE CB C 37.9 0.1 1 633 111 111 ILE CG2 C 17.4 0.1 1 634 111 111 ILE CD1 C 14.2 0.1 9 635 111 111 ILE N N 120.7 0.1 1 636 112 112 GLY H H 7.70 0.01 1 637 112 112 GLY C C 176.0 0.1 1 638 112 112 GLY CA C 47.0 0.1 1 639 112 112 GLY N N 105.7 0.1 1 640 113 113 VAL H H 9.11 0.01 1 641 113 113 VAL C C 176.8 0.1 1 642 113 113 VAL CA C 66.1 0.1 1 643 113 113 VAL CB C 31.6 0.1 1 644 113 113 VAL CG1 C 23.5 0.1 2 645 113 113 VAL CG2 C 22.6 0.1 2 646 113 113 VAL N N 125.4 0.1 1 647 114 114 ALA H H 7.88 0.01 1 648 114 114 ALA C C 177.2 0.1 1 649 114 114 ALA CA C 53.9 0.1 1 650 114 114 ALA CB C 18.2 0.1 1 651 114 114 ALA N N 119.0 0.1 1 652 115 115 SER H H 7.29 0.01 1 653 115 115 SER C C 174.3 0.1 1 654 115 115 SER CA C 58.4 0.1 1 655 115 115 SER CB C 66.1 0.1 1 656 115 115 SER N N 110.2 0.1 1 657 116 116 MET H H 7.87 0.01 1 658 116 116 MET C C 173.2 0.1 1 659 116 116 MET CA C 56.3 0.1 1 660 116 116 MET CB C 35.0 0.1 1 661 116 116 MET N N 126.1 0.1 1 662 117 117 LYS H H 7.26 0.01 1 663 117 117 LYS C C 176.9 0.1 1 664 117 117 LYS CA C 54.6 0.1 1 665 117 117 LYS CB C 35.6 0.1 1 666 117 117 LYS CG C 26.3 0.1 1 667 117 117 LYS CD C 29.7 0.1 1 668 117 117 LYS CE C 42.6 0.1 1 669 117 117 LYS N N 115.9 0.1 1 670 118 118 SER H H 8.48 0.01 1 671 118 118 SER C C 175.0 0.1 1 672 118 118 SER CA C 61.3 0.1 1 673 118 118 SER CB C 62.8 0.1 1 674 118 118 SER N N 114.5 0.1 1 675 119 119 GLY H H 8.51 0.01 1 676 119 119 GLY C C 173.8 0.1 1 677 119 119 GLY CA C 45.2 0.1 1 678 119 119 GLY N N 114.5 0.1 1 679 120 120 GLU H H 8.19 0.01 1 680 120 120 GLU C C 174.5 0.1 1 681 120 120 GLU CA C 55.9 0.1 1 682 120 120 GLU CB C 33.4 0.1 1 683 120 120 GLU CG C 37.6 0.1 1 684 120 120 GLU N N 123.5 0.1 1 685 121 121 ARG H H 8.80 0.01 1 686 121 121 ARG C C 175.7 0.1 1 687 121 121 ARG CA C 53.4 0.1 1 688 121 121 ARG CB C 34.6 0.1 1 689 121 121 ARG CG C 27.7 0.1 9 690 121 121 ARG CD C 43.7 0.1 1 691 121 121 ARG N N 124.2 0.1 1 692 122 122 ALA H H 9.74 0.01 1 693 122 122 ALA C C 174.4 0.1 1 694 122 122 ALA CA C 51.5 0.1 1 695 122 122 ALA CB C 23.7 0.1 1 696 122 122 ALA N N 129.6 0.1 1 697 123 123 LEU H H 9.21 0.01 1 698 123 123 LEU C C 176.0 0.1 1 699 123 123 LEU CA C 53.1 0.1 1 700 123 123 LEU CB C 43.9 0.1 1 701 123 123 LEU CD1 C 24.9 0.1 2 702 123 123 LEU CD2 C 24.3 0.1 2 703 123 123 LEU N N 120.1 0.1 1 704 124 124 VAL H H 9.96 0.01 1 705 124 124 VAL C C 174.5 0.1 1 706 124 124 VAL CA C 61.4 0.1 1 707 124 124 VAL CB C 34.0 0.1 1 708 124 124 VAL CG1 C 22.4 0.1 2 709 124 124 VAL CG2 C 21.7 0.1 2 710 124 124 VAL N N 126.6 0.1 1 711 125 125 HIS H H 9.43 0.01 1 712 125 125 HIS C C 175.4 0.1 1 713 125 125 HIS CA C 55.5 0.1 1 714 125 125 HIS CB C 31.7 0.1 1 715 125 125 HIS N N 130.3 0.1 1 716 126 126 VAL H H 8.71 0.01 1 717 126 126 VAL C C 174.8 0.1 1 718 126 126 VAL CA C 61.5 0.1 1 719 126 126 VAL CB C 36.7 0.1 1 720 126 126 VAL CG1 C 22.8 0.1 1 721 126 126 VAL CG2 C 22.8 0.1 1 722 126 126 VAL N N 123.9 0.1 1 723 127 127 GLY H H 8.85 0.01 1 724 127 127 GLY C C 174.7 0.1 1 725 127 127 GLY CA C 45.6 0.1 1 726 127 127 GLY N N 114.7 0.1 1 727 128 128 TRP H H 8.41 0.01 1 728 128 128 TRP C C 178.5 0.1 1 729 128 128 TRP CA C 59.4 0.1 1 730 128 128 TRP CB C 29.2 0.1 1 731 128 128 TRP N N 122.2 0.1 1 732 129 129 GLU H H 9.75 0.01 1 733 129 129 GLU C C 178.4 0.1 1 734 129 129 GLU CA C 60.4 0.1 1 735 129 129 GLU CB C 29.3 0.1 1 736 129 129 GLU CG C 35.4 0.1 1 737 129 129 GLU N N 124.6 0.1 1 738 130 130 LEU H H 7.70 0.01 1 739 130 130 LEU C C 174.3 0.1 1 740 130 130 LEU CA C 53.0 0.1 1 741 130 130 LEU CB C 42.2 0.1 1 742 130 130 LEU CD1 C 27.4 0.1 2 743 130 130 LEU CD2 C 23.2 0.1 2 744 130 130 LEU N N 118.4 0.1 1 745 131 131 ALA H H 7.54 0.01 1 746 131 131 ALA C C 177.5 0.1 1 747 131 131 ALA CA C 51.3 0.1 1 748 131 131 ALA CB C 19.7 0.1 1 749 131 131 ALA N N 124.1 0.1 1 750 132 132 TYR H H 9.10 0.01 1 751 132 132 TYR C C 176.9 0.1 1 752 132 132 TYR CA C 60.5 0.1 1 753 132 132 TYR CB C 36.5 0.1 1 754 132 132 TYR N N 121.8 0.1 1 755 133 133 GLY H H 8.22 0.01 1 756 133 133 GLY C C 175.5 0.1 1 757 133 133 GLY CA C 46.9 0.1 1 758 133 133 GLY N N 103.9 0.1 1 759 134 134 LYS H H 9.26 0.01 1 760 134 134 LYS C C 177.6 0.1 1 761 134 134 LYS CA C 59.0 0.1 1 762 134 134 LYS CB C 32.6 0.1 1 763 134 134 LYS CG C 25.4 0.1 1 764 134 134 LYS CD C 29.6 0.1 1 765 134 134 LYS CE C 42.2 0.1 1 766 134 134 LYS N N 123.0 0.1 1 767 135 135 GLU H H 8.86 0.01 1 768 135 135 GLU C C 178.6 0.1 1 769 135 135 GLU CA C 57.3 0.1 1 770 135 135 GLU CB C 30.0 0.1 1 771 135 135 GLU CG C 36.8 0.1 1 772 135 135 GLU N N 114.2 0.1 1 773 136 136 GLY H H 6.96 0.01 1 774 136 136 GLY C C 171.3 0.1 1 775 136 136 GLY CA C 44.7 0.1 1 776 136 136 GLY N N 104.9 0.1 1 777 137 137 ASN H H 9.00 0.01 1 778 137 137 ASN C C 174.6 0.1 1 779 137 137 ASN CA C 53.0 0.1 1 780 137 137 ASN CB C 43.3 0.1 1 781 137 137 ASN N N 120.6 0.1 1 782 138 138 PHE H H 8.76 0.01 1 783 138 138 PHE C C 175.9 0.1 1 784 138 138 PHE CA C 60.5 0.1 1 785 138 138 PHE CB C 39.3 0.1 1 786 138 138 PHE N N 125.8 0.1 1 787 139 139 SER H H 7.33 0.01 1 788 139 139 SER C C 171.9 0.1 1 789 139 139 SER CA C 56.7 0.1 1 790 139 139 SER CB C 64.4 0.1 1 791 139 139 SER N N 111.2 0.1 1 792 140 140 PHE H H 8.28 0.01 1 793 140 140 PHE C C 174.0 0.1 1 794 140 140 PHE CA C 57.5 0.1 1 795 140 140 PHE CB C 38.1 0.1 1 796 140 140 PHE N N 117.2 0.1 1 797 141 141 PRO C C 175.2 0.1 1 798 141 141 PRO CA C 62.9 0.1 1 799 141 141 PRO CB C 34.8 0.1 9 800 141 141 PRO CG C 23.7 0.1 1 801 141 141 PRO CD C 50.3 0.1 1 802 142 142 ASN H H 8.33 0.01 1 803 142 142 ASN C C 173.7 0.1 1 804 142 142 ASN CA C 52.9 0.1 1 805 142 142 ASN CB C 39.0 0.1 1 806 142 142 ASN N N 118.0 0.1 1 807 143 143 VAL H H 8.36 0.01 1 808 143 143 VAL C C 173.7 0.1 1 809 143 143 VAL CA C 58.9 0.1 1 810 143 143 VAL CB C 36.3 0.1 1 811 143 143 VAL N N 125.7 0.1 1 812 145 145 PRO C C 175.8 0.1 1 813 145 145 PRO CA C 63.1 0.1 1 814 145 145 PRO CB C 32.8 0.1 1 815 145 145 PRO CG C 27.5 0.1 9 816 145 145 PRO CD C 50.9 0.1 9 817 146 146 MET H H 7.11 0.01 1 818 146 146 MET C C 173.0 0.1 1 819 146 146 MET CA C 56.7 0.1 1 820 146 146 MET CB C 30.4 0.1 1 821 146 146 MET CG C 31.7 0.1 1 822 146 146 MET N N 116.2 0.1 1 823 147 147 ALA H H 7.78 0.01 1 824 147 147 ALA C C 175.4 0.1 1 825 147 147 ALA CA C 51.1 0.1 1 826 147 147 ALA CB C 20.0 0.1 1 827 147 147 ALA N N 121.4 0.1 1 828 148 148 ASP H H 8.50 0.01 1 829 148 148 ASP C C 177.2 0.1 1 830 148 148 ASP CA C 55.7 0.1 1 831 148 148 ASP CB C 40.7 0.1 1 832 148 148 ASP N N 126.9 0.1 1 833 149 149 LEU H H 9.51 0.01 1 834 149 149 LEU C C 176.0 0.1 1 835 149 149 LEU CA C 54.2 0.1 1 836 149 149 LEU CB C 47.6 0.1 1 837 149 149 LEU N N 121.7 0.1 1 838 150 150 LEU H H 8.98 0.01 1 839 150 150 LEU C C 174.6 0.1 1 840 150 150 LEU CA C 53.8 0.1 1 841 150 150 LEU CB C 46.9 0.1 1 842 150 150 LEU CD1 C 25.4 0.1 2 843 150 150 LEU CD2 C 24.7 0.1 2 844 150 150 LEU N N 122.5 0.1 1 845 151 151 TYR H H 9.44 0.01 1 846 151 151 TYR C C 176.0 0.1 1 847 151 151 TYR CA C 56.1 0.1 1 848 151 151 TYR CB C 42.0 0.1 1 849 151 151 TYR N N 121.0 0.1 1 850 152 152 GLU H H 9.44 0.01 1 851 152 152 GLU C C 174.7 0.1 1 852 152 152 GLU CA C 55.6 0.1 1 853 152 152 GLU CB C 32.5 0.1 1 854 152 152 GLU CG C 36.4 0.1 1 855 152 152 GLU N N 126.0 0.1 1 856 153 153 VAL H H 9.39 0.01 1 857 153 153 VAL C C 173.6 0.1 1 858 153 153 VAL CA C 59.4 0.1 1 859 153 153 VAL CB C 35.9 0.1 1 860 153 153 VAL CG1 C 23.2 0.1 2 861 153 153 VAL CG2 C 21.0 0.1 2 862 153 153 VAL N N 126.1 0.1 1 863 154 154 GLU H H 9.28 0.01 1 864 154 154 GLU C C 175.5 0.1 1 865 154 154 GLU CA C 54.6 0.1 1 866 154 154 GLU CB C 35.3 0.1 1 867 154 154 GLU CG C 36.6 0.1 1 868 154 154 GLU N N 128.1 0.1 1 869 155 155 VAL H H 8.03 0.01 1 870 155 155 VAL C C 176.3 0.1 1 871 155 155 VAL CA C 62.7 0.1 1 872 155 155 VAL CB C 32.2 0.1 1 873 155 155 VAL CG1 C 23.7 0.1 2 874 155 155 VAL CG2 C 21.8 0.1 2 875 155 155 VAL N N 125.9 0.1 1 876 156 156 ILE H H 9.20 0.01 1 877 156 156 ILE C C 177.1 0.1 1 878 156 156 ILE CA C 62.7 0.1 1 879 156 156 ILE CB C 38.4 0.1 1 880 156 156 ILE CG1 C 28.4 0.1 1 881 156 156 ILE CG2 C 17.6 0.1 1 882 156 156 ILE CD1 C 13.2 0.1 1 883 156 156 ILE N N 131.8 0.1 1 884 157 157 GLY H H 7.70 0.01 1 885 157 157 GLY C C 170.3 0.1 1 886 157 157 GLY CA C 44.7 0.1 1 887 157 157 GLY N N 105.0 0.1 1 888 158 158 PHE H H 8.17 0.01 1 889 158 158 PHE C C 174.1 0.1 1 890 158 158 PHE CA C 55.9 0.1 1 891 158 158 PHE CB C 42.6 0.1 1 892 158 158 PHE N N 114.6 0.1 1 893 159 159 ASP H H 9.05 0.01 1 894 159 159 ASP C C 176.1 0.1 1 895 159 159 ASP CA C 53.3 0.1 1 896 159 159 ASP CB C 43.2 0.1 1 897 159 159 ASP N N 120.2 0.1 1 898 160 160 GLU H H 8.91 0.01 1 899 160 160 GLU C C 176.8 0.1 1 900 160 160 GLU CA C 56.2 0.1 1 901 160 160 GLU CB C 30.9 0.1 1 902 160 160 GLU CG C 36.7 0.1 1 903 160 160 GLU N N 124.0 0.1 1 904 161 161 THR H H 8.48 0.01 1 905 161 161 THR C C 174.9 0.1 1 906 161 161 THR CA C 62.5 0.1 1 907 161 161 THR CB C 69.8 0.1 1 908 161 161 THR CG2 C 21.4 0.1 9 909 161 161 THR N N 115.6 0.1 1 910 162 162 LYS H H 8.40 0.01 1 911 162 162 LYS C C 177.0 0.1 1 912 162 162 LYS CA C 57.0 0.1 1 913 162 162 LYS CB C 32.9 0.1 1 914 162 162 LYS CG C 25.1 0.1 1 915 162 162 LYS CD C 29.2 0.1 1 916 162 162 LYS CE C 42.2 0.1 1 917 162 162 LYS N N 124.0 0.1 1 918 163 163 GLU H H 8.40 0.01 1 919 163 163 GLU C C 177.2 0.1 1 920 163 163 GLU CA C 57.1 0.1 1 921 163 163 GLU CB C 29.9 0.1 1 922 163 163 GLU CG C 36.2 0.1 1 923 163 163 GLU N N 121.1 0.1 1 924 164 164 GLY H H 8.33 0.01 1 925 164 164 GLY C C 174.4 0.1 1 926 164 164 GLY CA C 45.5 0.1 1 927 164 164 GLY N N 109.9 0.1 1 928 165 165 LYS H H 7.97 0.01 1 929 165 165 LYS C C 176.5 0.1 1 930 165 165 LYS CA C 56.2 0.1 1 931 165 165 LYS CB C 33.1 0.1 1 932 165 165 LYS CG C 24.9 0.1 1 933 165 165 LYS CD C 29.3 0.1 1 934 165 165 LYS CE C 42.2 0.1 1 935 165 165 LYS N N 120.9 0.1 1 936 166 166 ALA H H 8.24 0.01 1 937 166 166 ALA C C 178.0 0.1 1 938 166 166 ALA CA C 52.6 0.1 1 939 166 166 ALA CB C 19.1 0.1 1 940 166 166 ALA N N 124.9 0.1 1 941 167 167 ARG H H 8.23 0.01 1 942 167 167 ARG C C 176.8 0.1 1 943 167 167 ARG CA C 56.5 0.1 1 944 167 167 ARG CB C 30.8 0.1 1 945 167 167 ARG CG C 27.7 0.1 1 946 167 167 ARG CD C 43.4 0.1 1 947 167 167 ARG N N 120.4 0.1 1 948 168 168 SER H H 8.33 0.01 1 949 168 168 SER C C 174.3 0.1 1 950 168 168 SER CA C 58.8 0.1 1 951 168 168 SER CB C 63.7 0.1 1 952 168 168 SER N N 116.6 0.1 1 953 169 169 ASP H H 8.27 0.01 1 954 169 169 ASP C C 176.1 0.1 1 955 169 169 ASP CA C 54.2 0.1 1 956 169 169 ASP CB C 40.9 0.1 1 957 169 169 ASP N N 121.7 0.1 1 958 170 170 MET H H 8.07 0.01 1 959 170 170 MET C C 176.4 0.1 1 960 170 170 MET CA C 55.7 0.1 1 961 170 170 MET CB C 33.0 0.1 1 962 170 170 MET CG C 32.0 0.1 1 963 170 170 MET N N 120.0 0.1 1 964 171 171 THR H H 8.24 0.01 1 965 171 171 THR C C 174.7 0.1 1 966 171 171 THR CA C 62.2 0.1 1 967 171 171 THR CB C 69.9 0.1 1 968 171 171 THR CG2 C 21.7 0.1 1 969 171 171 THR N N 115.8 0.1 1 970 172 172 VAL H H 8.13 0.01 1 971 172 172 VAL C C 176.2 0.1 1 972 172 172 VAL CA C 62.8 0.1 1 973 172 172 VAL CB C 32.7 0.1 1 974 172 172 VAL CG1 C 21.4 0.1 2 975 172 172 VAL CG2 C 21.1 0.1 2 976 172 172 VAL N N 122.4 0.1 1 977 173 173 GLU H H 8.41 0.01 1 978 173 173 GLU C C 176.6 0.1 1 979 173 173 GLU CA C 57.0 0.1 1 980 173 173 GLU CB C 30.1 0.1 1 981 173 173 GLU CG C 36.4 0.1 1 982 173 173 GLU N N 124.0 0.1 1 983 174 174 GLU H H 8.28 0.01 1 984 174 174 GLU C C 176.1 0.1 1 985 174 174 GLU CA C 56.7 0.1 1 986 174 174 GLU CB C 30.4 0.1 1 987 174 174 GLU CG C 36.4 0.1 1 988 174 174 GLU N N 122.4 0.1 1 989 175 175 ARG H H 8.28 0.01 1 990 175 175 ARG C C 176.3 0.1 1 991 175 175 ARG CA C 56.2 0.1 1 992 175 175 ARG CB C 30.7 0.1 1 993 175 175 ARG CG C 27.8 0.1 1 994 175 175 ARG CD C 43.4 0.1 1 995 175 175 ARG N N 122.1 0.1 1 996 176 176 ILE H H 8.17 0.01 1 997 176 176 ILE C C 177.0 0.1 1 998 176 176 ILE CA C 61.5 0.1 1 999 176 176 ILE CB C 38.5 0.1 1 1000 176 176 ILE CG1 C 27.0 0.1 1 1001 176 176 ILE CG2 C 17.5 0.1 1 1002 176 176 ILE CD1 C 12.9 0.1 1 1003 176 176 ILE N N 122.7 0.1 1 1004 177 177 GLY H H 8.43 0.01 1 1005 177 177 GLY C C 173.7 0.1 1 1006 177 177 GLY CA C 45.1 0.1 1 1007 177 177 GLY N N 113.3 0.1 1 1008 178 178 ALA H H 8.03 0.01 1 1009 178 178 ALA C C 177.3 0.1 1 1010 178 178 ALA CA C 52.3 0.1 1 1011 178 178 ALA CB C 19.5 0.1 1 1012 178 178 ALA N N 123.8 0.1 1 1013 179 179 ALA H H 8.26 0.01 1 1014 179 179 ALA C C 176.5 0.1 1 1015 179 179 ALA CA C 52.2 0.1 1 1016 179 179 ALA CB C 19.5 0.1 1 1017 179 179 ALA N N 124.0 0.1 1 1018 180 180 ASP H H 7.80 0.01 1 1019 180 180 ASP C C 180.9 0.1 1 1020 180 180 ASP CA C 55.8 0.1 1 1021 180 180 ASP CB C 42.1 0.1 1 1022 180 180 ASP N N 125.3 0.1 1 stop_ save_