data_5335 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone and side chain 1H, 13C, and 15N chemical shift assignments for E.coli protein YacG ; _BMRB_accession_number 5335 _BMRB_flat_file_name bmr5335.str _Entry_type original _Submission_date 2002-03-27 _Accession_date 2002-03-28 _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 Ramelot Theresa A. . 2 Kennedy Michael A. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 341 "13C chemical shifts" 256 "15N chemical shifts" 61 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2009-07-27 update BMRB 'added time domain data' 2004-10-08 update author 'addition of PDB ID' 2002-09-09 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; NMR Structure of the Eschericia coli Protein YacG: A Novel Sequence Motif in the Zinc-finger Family of Proteins ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code 22199977 _PubMed_ID 12211008 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Ramelot Theresa A. . 2 Cort J. R. . 3 Yee A. A. . 4 Semesi A. . . 5 Edwards A. M. . 6 Arrowsmith C. H. . 7 Kennedy Michael A. . stop_ _Journal_abbreviation Proteins _Journal_volume 49 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 289 _Page_last 293 _Year 2002 _Details . save_ ####################################### # Cited references within the entry # ####################################### save_ref_1 _Saveframe_category citation _Citation_full ; Brunger AT. X-PLOR Version 3.1: a system for X-ray crystallography and NMR. New Haven, CY:Yale University Press; 1992.382 p. ; _Citation_title . _Citation_status . _Citation_type . _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? _Journal_abbreviation . _Journal_name_full . _Journal_volume . _Journal_issue . _Journal_CSD . _Book_title . _Book_chapter_title . _Book_volume . _Book_series . _Book_publisher . _Book_publisher_city . _Book_ISBN . _Conference_title . _Conference_site . _Conference_state_province . _Conference_country . _Conference_start_date . _Conference_end_date . _Conference_abstract_number . _Thesis_institution . _Thesis_institution_city . _Thesis_institution_country . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_system_YacG _Saveframe_category molecular_system _Mol_system_name YacG _Abbreviation_common YacG _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label YacG $YacG 'zinc ion' $ZN stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'all other bound' loop_ _Biological_function 'unknown function zinc finger protein' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_YacG _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common YacG _Abbreviation_common YacG _Molecular_mass 7306 _Mol_thiol_state 'all other bound' _Details ; Fusion protein contains N-terminal 6xHis tag and thrombin cleavage site: MGSSHHHHHHSSGLVPRGSH, before cleavage with thrombin. ; ############################## # Polymer residue sequence # ############################## _Residue_count 68 _Mol_residue_sequence ; GSHMSETITVNCPTCGKTVV WGEISPFRPFCSKRCQLIDL GEWAAEEKRIPSSGDLSESD DWSEEPKQ ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -3 GLY 2 -2 SER 3 -1 HIS 4 1 MET 5 2 SER 6 3 GLU 7 4 THR 8 5 ILE 9 6 THR 10 7 VAL 11 8 ASN 12 9 CYS 13 10 PRO 14 11 THR 15 12 CYS 16 13 GLY 17 14 LYS 18 15 THR 19 16 VAL 20 17 VAL 21 18 TRP 22 19 GLY 23 20 GLU 24 21 ILE 25 22 SER 26 23 PRO 27 24 PHE 28 25 ARG 29 26 PRO 30 27 PHE 31 28 CYS 32 29 SER 33 30 LYS 34 31 ARG 35 32 CYS 36 33 GLN 37 34 LEU 38 35 ILE 39 36 ASP 40 37 LEU 41 38 GLY 42 39 GLU 43 40 TRP 44 41 ALA 45 42 ALA 46 43 GLU 47 44 GLU 48 45 LYS 49 46 ARG 50 47 ILE 51 48 PRO 52 49 SER 53 50 SER 54 51 GLY 55 52 ASP 56 53 LEU 57 54 SER 58 55 GLU 59 56 SER 60 57 ASP 61 58 ASP 62 59 TRP 63 60 SER 64 61 GLU 65 62 GLU 66 63 PRO 67 64 LYS 68 65 GLN stop_ _Sequence_homology_query_date 2008-08-19 _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 SWISS-PROT P0A8H8 'UPF0243 zinc-binding protein yacG' 95.59 65 100.00 100.00 4.00e-30 SWISS-PROT P0A8H9 'UPF0243 zinc-binding protein yacG' 95.59 65 100.00 100.00 4.00e-30 SWISS-PROT A7ZW52 'UPF0243 zinc-binding protein yacG' 95.59 65 100.00 100.00 4.00e-30 SWISS-PROT B1IR78 'UPF0243 zinc-binding protein yacG' 95.59 65 100.00 100.00 4.00e-30 REF NP_706056 'zinc-binding protein [Shigella flexneri 2a str. 301]' 95.59 65 100.00 100.00 4.00e-30 SWISS-PROT A7ZHJ2 'UPF0243 zinc-binding protein yacG' 95.59 65 100.00 100.00 4.00e-30 REF NP_308132 'zinc-binding protein [Escherichia coli O157:H7 str. Sakai]' 95.59 65 100.00 100.00 4.00e-30 REF NP_414643 'conserved protein [Escherichia coli str. K-12 substr. MG1655]' 95.59 65 100.00 100.00 4.00e-30 REF AP_000763 'hypothetical protein [Escherichia coli W3110]' 95.59 65 100.00 100.00 4.00e-30 REF NP_285797 'zinc-binding protein [Escherichia coli O157:H7 EDL933]' 95.59 65 100.00 100.00 4.00e-30 GenBank AAN78619 'Hypothetical protein yacG [Escherichia coli CFT073]' 95.59 65 98.46 98.46 1.55e-29 GenBank AAP15644 'hypothetical protein S0100 [Shigella flexneri 2a str. 2457T]' 95.59 65 100.00 100.00 4.00e-30 GenBank AAG54405 'orf, hypothetical protein [Escherichia coli O157:H7 EDL933]' 95.59 65 100.00 100.00 4.00e-30 GenBank AAN41763 'orf, conserved hypothetical protein [Shigella flexneri 2a str. 301]' 95.59 65 100.00 100.00 4.00e-30 DBJ BAB96668 'conserved hypothetical protein [Escherichia coli W3110]' 95.59 65 100.00 100.00 4.00e-30 GenBank AAC73212 'conserved protein [Escherichia coli str. K-12 substr. MG1655]' 95.59 65 100.00 100.00 4.00e-30 PDB 1LV3 'Solution Nmr Structure Of Zinc Finger Protein Yacg From Escherichia Coli. Northeast Structural Genomics Consortium Target Et92' 100.00 68 100.00 100.00 3.36e-32 DBJ BAB33528 'hypothetical protein [Escherichia coli O157:H7 str. Sakai]' 95.59 65 100.00 100.00 4.00e-30 stop_ save_ ############# # Ligands # ############# save_ZN _Saveframe_category ligand _Mol_type non-polymer _Name_common "ZN (ZINC ION)" _BMRB_code . _PDB_code ZN _Molecular_mass 65.409 _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 Mon Jul 25 12:26:23 2011 ; loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons ZN ZN ZN . 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 _Strain _Plasmid _Gene_mnemonic $YacG 'E. coli' 562 Eubacteria . Eschericia coli K12 pET15b YacG 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 $YacG 'recombinant technology' 'E. coli' Eschericia coli 'BL21 DE3' . 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 $YacG 1 mM '[U-13C; U-15N]' 'phosphate buffer' 25 mM . NaCl 450 mM . stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $YacG . mM 1 3 [U-15N] 'phosphate buffer' 25 mM . . . NaCl 450 mM . . . stop_ save_ ############################ # Computer software used # ############################ save_Felix _Saveframe_category software _Name Felix _Version 98 loop_ _Task 'processing data' stop_ _Details MSI save_ save_XPLOR _Saveframe_category software _Name XPLOR _Version 3.84 loop_ _Task 'structure calculations' stop_ _Details . _Citation_label $ref_1 save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model Inova _Field_strength 600 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model Inova _Field_strength 750 _Details . save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model Inova _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N HSQC' _Sample_label . save_ save_1H-13C_HSQC_(aliph)_2 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-13C HSQC (aliph)' _Sample_label . save_ save_15N-edited_NOESY-HQSC_3 _Saveframe_category NMR_applied_experiment _Experiment_name '15N-edited NOESY-HQSC' _Sample_label . save_ save_HCC-TOCSY-NNH_4 _Saveframe_category NMR_applied_experiment _Experiment_name HCC-TOCSY-NNH _Sample_label . save_ save_HCCH-TOCSY_5 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-TOCSY _Sample_label . save_ save_CN-NOESY-HSQC_6 _Saveframe_category NMR_applied_experiment _Experiment_name CN-NOESY-HSQC _Sample_label . save_ save_HNCO_7 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _Sample_label . save_ save_HNCACB_8 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _Sample_label . save_ save_CBCA(CO)NH_9 _Saveframe_category NMR_applied_experiment _Experiment_name CBCA(CO)NH _Sample_label . save_ save_CCC-TOCSY-NNH_10 _Saveframe_category NMR_applied_experiment _Experiment_name CCC-TOCSY-NNH _Sample_label . save_ save_HNHA_11 _Saveframe_category NMR_applied_experiment _Experiment_name HNHA _Sample_label . save_ save_4D_CC-NOESY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '4D CC-NOESY' _Sample_label . save_ save_1H-13C_HSQC_(alpha)_13 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-13C HSQC (alpha)' _Sample_label . save_ save_1H-13C_HSQC_(arom)_14 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-13C HSQC (arom)' _Sample_label . save_ ####################### # Sample conditions # ####################### save_cond_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.5 0.1 na temperature 298 1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 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_YacG_shifts _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '1H-15N HSQC' '1H-13C HSQC (aliph)' '15N-edited NOESY-HQSC' HCC-TOCSY-NNH HCCH-TOCSY CN-NOESY-HSQC HNCO HNCACB CBCA(CO)NH CCC-TOCSY-NNH HNHA '4D CC-NOESY' '1H-13C HSQC (alpha)' '1H-13C HSQC (arom)' stop_ _Sample_conditions_label $cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name YacG _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 5 SER C C 174.5 0.1 1 2 2 5 SER CA C 58.5 0.1 1 3 2 5 SER CB C 63.6 0.1 1 4 3 6 GLU H H 8.49 0.01 1 5 3 6 GLU HA H 4.39 0.01 1 6 3 6 GLU HB2 H 1.96 0.01 1 7 3 6 GLU HB3 H 2.08 0.01 1 8 3 6 GLU HG2 H 2.28 0.01 1 9 3 6 GLU HG3 H 2.28 0.01 1 10 3 6 GLU C C 176.3 0.1 1 11 3 6 GLU CA C 56.53 0.1 1 12 3 6 GLU CB C 30.3 0.1 1 13 3 6 GLU N N 122.7 0.1 1 14 4 7 THR H H 8.26 0.01 1 15 4 7 THR HA H 4.33 0.01 1 16 4 7 THR HB H 4.05 0.01 1 17 4 7 THR HG2 H 1.18 0.01 1 18 4 7 THR C C 173.9 0.1 1 19 4 7 THR CA C 62.2 0.1 1 20 4 7 THR CB C 69.7 0.1 1 21 4 7 THR CG2 C 22.1 0.1 1 22 4 7 THR N N 117.4 0.1 1 23 5 8 ILE H H 8.69 0.01 1 24 5 8 ILE HA H 4.38 0.01 1 25 5 8 ILE HB H 2.02 0.01 1 26 5 8 ILE HG12 H 1.28 0.01 2 27 5 8 ILE HG13 H 1.61 0.01 2 28 5 8 ILE HG2 H 0.90 0.01 1 29 5 8 ILE HD1 H 0.84 0.01 1 30 5 8 ILE C C 175.6 0.1 1 31 5 8 ILE CA C 60.8 0.1 1 32 5 8 ILE CB C 39.0 0.1 1 33 5 8 ILE CG1 C 27.6 0.1 1 34 5 8 ILE CG2 C 17.6 0.1 1 35 5 8 ILE CD1 C 13.0 0.1 1 36 5 8 ILE N N 126.7 0.1 1 37 6 9 THR H H 8.23 0.01 1 38 6 9 THR HA H 5.26 0.01 1 39 6 9 THR HB H 4.11 0.01 1 40 6 9 THR HG2 H 1.08 0.01 1 41 6 9 THR C C 173.7 0.1 1 42 6 9 THR CA C 59.7 0.1 1 43 6 9 THR CB C 71.6 0.1 1 44 6 9 THR CG2 C 21.6 0.1 1 45 6 9 THR N N 115.9 0.1 1 46 7 10 VAL H H 9.09 0.01 1 47 7 10 VAL HA H 4.65 0.01 1 48 7 10 VAL HB H 2.32 0.01 1 49 7 10 VAL HG1 H 0.97 0.01 2 50 7 10 VAL HG2 H 0.85 0.01 2 51 7 10 VAL C C 173.6 0.1 1 52 7 10 VAL CA C 59.1 0.1 1 53 7 10 VAL CB C 35.1 0.1 1 54 7 10 VAL CG1 C 19.2 0.1 2 55 7 10 VAL CG2 C 22.2 0.1 2 56 7 10 VAL N N 115.6 0.1 1 57 8 11 ASN H H 8.17 0.01 1 58 8 11 ASN HA H 5.26 0.01 1 59 8 11 ASN HB2 H 2.28 0.01 1 60 8 11 ASN HB3 H 2.41 0.01 1 61 8 11 ASN HD21 H 6.79 0.01 2 62 8 11 ASN HD22 H 7.30 0.01 2 63 8 11 ASN C C 174.1 0.1 1 64 8 11 ASN CA C 52.0 0.1 1 65 8 11 ASN CB C 40.2 0.1 1 66 8 11 ASN N N 118.1 0.1 1 67 8 11 ASN ND2 N 111.3 0.1 1 68 9 12 CYS H H 9.45 0.01 1 69 9 12 CYS HA H 5.02 0.01 1 70 9 12 CYS HB2 H 2.93 0.01 1 71 9 12 CYS HB3 H 3.39 0.01 1 72 9 12 CYS CA C 56.7 0.1 1 73 9 12 CYS CB C 30.2 0.1 1 74 9 12 CYS N N 127.4 0.1 1 75 10 13 PRO HA H 4.18 0.01 1 76 10 13 PRO HB2 H 1.81 0.01 1 77 10 13 PRO HB3 H 2.28 0.01 1 78 10 13 PRO HD2 H 3.80 0.01 2 79 10 13 PRO HD3 H 2.73 0.01 2 80 10 13 PRO C C 176.9 0.1 1 81 10 13 PRO CA C 64.9 0.1 1 82 10 13 PRO CB C 32.9 0.1 1 83 10 13 PRO CG C 27.1 0.1 1 84 10 13 PRO CD C 51.3 0.1 1 85 11 14 THR H H 8.34 0.01 1 86 11 14 THR HA H 4.39 0.01 1 87 11 14 THR HB H 4.69 0.01 1 88 11 14 THR HG2 H 1.31 0.01 1 89 11 14 THR C C 175.0 0.1 1 90 11 14 THR CA C 64.5 0.1 1 91 11 14 THR CB C 68.8 0.1 1 92 11 14 THR CG2 C 24.8 0.1 1 93 11 14 THR N N 113.2 0.1 1 94 12 15 CYS H H 7.91 0.01 1 95 12 15 CYS HA H 5.07 0.01 1 96 12 15 CYS HB2 H 2.66 0.01 2 97 12 15 CYS HB3 H 3.26 0.01 2 98 12 15 CYS C C 177.1 0.1 1 99 12 15 CYS CA C 58.9 0.1 1 100 12 15 CYS CB C 33.3 0.1 1 101 12 15 CYS N N 118.8 0.1 1 102 13 16 GLY H H 8.60 0.01 1 103 13 16 GLY HA2 H 3.74 0.01 2 104 13 16 GLY HA3 H 4.33 0.01 2 105 13 16 GLY C C 173.7 0.1 1 106 13 16 GLY CA C 46.3 0.1 1 107 13 16 GLY N N 114.1 0.1 1 108 14 17 LYS H H 8.72 0.01 1 109 14 17 LYS HA H 4.25 0.01 1 110 14 17 LYS HB2 H 1.71 0.01 2 111 14 17 LYS HB3 H 2.02 0.01 2 112 14 17 LYS HG2 H 1.82 0.01 1 113 14 17 LYS HG3 H 1.82 0.01 1 114 14 17 LYS HD2 H 1.62 0.01 1 115 14 17 LYS HD3 H 1.62 0.01 1 116 14 17 LYS HE2 H 3.12 0.01 1 117 14 17 LYS HE3 H 3.12 0.01 1 118 14 17 LYS C C 175.9 0.1 1 119 14 17 LYS CA C 57.8 0.1 1 120 14 17 LYS CB C 33.9 0.1 1 121 14 17 LYS CG C 29.5 0.1 1 122 14 17 LYS CD C 25.6 0.1 1 123 14 17 LYS CE C 41.8 0.1 1 124 14 17 LYS N N 124.8 0.1 1 125 15 18 THR H H 8.49 0.01 1 126 15 18 THR HA H 4.31 0.01 1 127 15 18 THR HB H 4.01 0.01 1 128 15 18 THR HG2 H 1.21 0.01 1 129 15 18 THR C C 174.3 0.1 1 130 15 18 THR CA C 64.7 0.1 1 131 15 18 THR CB C 69.0 0.1 1 132 15 18 THR CG2 C 22.3 0.1 1 133 15 18 THR N N 119.4 0.1 1 134 16 19 VAL H H 9.37 0.01 1 135 16 19 VAL HA H 4.11 0.01 1 136 16 19 VAL HB H 1.89 0.01 1 137 16 19 VAL HG1 H 0.66 0.01 1 138 16 19 VAL HG2 H 0.82 0.01 1 139 16 19 VAL C C 175.4 0.1 1 140 16 19 VAL CA C 61.4 0.1 1 141 16 19 VAL CB C 35.2 0.1 1 142 16 19 VAL CG1 C 20.1 0.1 1 143 16 19 VAL CG2 C 20.8 0.1 1 144 16 19 VAL N N 129.9 0.1 1 145 17 20 VAL H H 8.59 0.01 1 146 17 20 VAL HA H 3.92 0.01 1 147 17 20 VAL HB H 1.77 0.01 1 148 17 20 VAL HG1 H 0.98 0.01 1 149 17 20 VAL HG2 H 0.84 0.01 1 150 17 20 VAL C C 176.4 0.1 1 151 17 20 VAL CA C 63.4 0.1 1 152 17 20 VAL CB C 32.1 0.1 1 153 17 20 VAL CG1 C 22.0 0.1 1 154 17 20 VAL CG2 C 21.0 0.1 1 155 17 20 VAL N N 126.9 0.1 1 156 18 21 TRP H H 9.21 0.01 1 157 18 21 TRP HA H 4.24 0.01 1 158 18 21 TRP HB2 H 2.76 0.01 2 159 18 21 TRP HB3 H 3.48 0.01 2 160 18 21 TRP HD1 H 7.20 0.01 1 161 18 21 TRP HE1 H 10.34 0.01 1 162 18 21 TRP HE3 H 7.33 0.01 1 163 18 21 TRP HZ2 H 7.62 0.01 1 164 18 21 TRP HZ3 H 6.74 0.01 1 165 18 21 TRP HH2 H 7.20 0.01 1 166 18 21 TRP C C 173.8 0.1 1 167 18 21 TRP CA C 57.5 0.1 1 168 18 21 TRP CB C 28.0 0.1 1 169 18 21 TRP CE3 C 119.4 0.1 1 170 18 21 TRP CZ2 C 115.9 0.1 1 171 18 21 TRP CZ3 C 121.0 0.1 1 172 18 21 TRP CH2 C 124.7 0.1 1 173 18 21 TRP N N 130.1 0.1 1 174 18 21 TRP NE1 N 131.0 0.1 1 175 19 22 GLY H H 6.92 0.01 1 176 19 22 GLY HA2 H 3.92 0.01 2 177 19 22 GLY HA3 H 4.13 0.01 2 178 19 22 GLY C C 174.6 0.1 1 179 19 22 GLY CA C 44.0 0.1 1 180 19 22 GLY N N 112.9 0.1 1 181 20 23 GLU HA H 3.82 0.01 1 182 20 23 GLU HB2 H 1.93 0.01 2 183 20 23 GLU HB3 H 2.02 0.01 2 184 20 23 GLU HG2 H 2.26 0.01 1 185 20 23 GLU HG3 H 2.26 0.01 1 186 20 23 GLU C C 176.6 0.1 1 187 20 23 GLU CA C 56.7 0.1 1 188 20 23 GLU CB C 30.2 0.1 1 189 21 24 ILE H H 7.58 0.01 1 190 21 24 ILE HA H 4.13 0.01 1 191 21 24 ILE HB H 1.95 0.01 1 192 21 24 ILE HG12 H 1.46 0.01 2 193 21 24 ILE HG13 H 1.26 0.01 2 194 21 24 ILE HG2 H 0.88 0.01 1 195 21 24 ILE HD1 H 0.90 0.01 1 196 21 24 ILE C C 174.6 0.1 1 197 21 24 ILE CA C 61.5 0.1 1 198 21 24 ILE CB C 38.3 0.1 1 199 21 24 ILE CG1 C 27.6 0.1 1 200 21 24 ILE CG2 C 17.6 0.1 1 201 21 24 ILE CD1 C 14.4 0.1 1 202 21 24 ILE N N 115.2 0.1 1 203 22 25 SER H H 7.79 0.01 1 204 22 25 SER HA H 4.99 0.01 1 205 22 25 SER HB2 H 3.83 0.01 2 206 22 25 SER HB3 H 3.95 0.01 2 207 22 25 SER CA C 54.1 0.1 1 208 22 25 SER CB C 63.9 0.1 1 209 22 25 SER N N 120.3 0.1 1 210 23 26 PRO HA H 4.01 0.01 1 211 23 26 PRO HB2 H 2.04 0.01 2 212 23 26 PRO HB3 H 0.84 0.01 2 213 23 26 PRO HG2 H 1.66 0.01 2 214 23 26 PRO HG3 H 1.77 0.01 2 215 23 26 PRO HD2 H 3.61 0.01 2 216 23 26 PRO HD3 H 3.81 0.01 2 217 23 26 PRO CA C 64.4 0.1 1 218 23 26 PRO CB C 31.9 0.1 1 219 23 26 PRO CG C 26.9 0.1 1 220 23 26 PRO CD C 51.1 0.1 1 221 24 27 PHE H H 8.35 0.01 1 222 24 27 PHE HA H 4.63 0.01 1 223 24 27 PHE HB2 H 2.44 0.01 2 224 24 27 PHE HB3 H 3.26 0.01 2 225 24 27 PHE HD1 H 7.15 0.01 1 226 24 27 PHE HD2 H 7.15 0.01 1 227 24 27 PHE HE1 H 7.40 0.01 1 228 24 27 PHE HE2 H 7.40 0.01 1 229 24 27 PHE C C 175.1 0.1 1 230 24 27 PHE CA C 55.9 0.1 1 231 24 27 PHE CB C 38.3 0.1 1 232 24 27 PHE CD1 C 131.8 0.1 1 233 24 27 PHE CD2 C 131.8 0.1 1 234 24 27 PHE CE1 C 131.8 0.1 1 235 24 27 PHE CE2 C 131.8 0.1 1 236 24 27 PHE N N 115.5 0.1 1 237 25 28 ARG H H 6.98 0.01 1 238 25 28 ARG HA H 4.17 0.01 1 239 25 28 ARG HB2 H 1.22 0.01 2 240 25 28 ARG HB3 H 1.41 0.01 2 241 25 28 ARG HG2 H 1.47 0.01 2 242 25 28 ARG HG3 H 0.56 0.01 2 243 25 28 ARG HD2 H 2.79 0.01 1 244 25 28 ARG HD3 H 2.79 0.01 1 245 25 28 ARG CA C 54.2 0.1 1 246 25 28 ARG CB C 27.1 0.1 1 247 25 28 ARG CG C 24.3 0.1 1 248 25 28 ARG CD C 43.3 0.1 1 249 25 28 ARG N N 119.2 0.1 1 250 26 29 PRO HA H 4.02 0.01 1 251 26 29 PRO HB2 H 2.08 0.01 2 252 26 29 PRO HB3 H 2.33 0.01 2 253 26 29 PRO HD2 H 3.88 0.01 2 254 26 29 PRO C C 172.7 0.1 1 255 26 29 PRO CA C 64.0 0.1 1 256 26 29 PRO CB C 35.2 0.1 1 257 27 30 PHE H H 8.50 0.01 1 258 27 30 PHE HA H 5.40 0.01 1 259 27 30 PHE HB2 H 3.21 0.01 1 260 27 30 PHE HB3 H 3.21 0.01 1 261 27 30 PHE HD1 H 7.52 0.01 1 262 27 30 PHE HD2 H 7.52 0.01 1 263 27 30 PHE HE1 H 7.42 0.01 1 264 27 30 PHE HE2 H 7.42 0.01 1 265 27 30 PHE C C 176.9 0.1 1 266 27 30 PHE CA C 57.5 0.1 1 267 27 30 PHE CB C 39.9 0.1 1 268 27 30 PHE CD1 C 132.0 0.1 1 269 27 30 PHE CD2 C 132.0 0.1 1 270 27 30 PHE N N 122.3 0.1 1 271 28 31 CYS H H 9.19 0.01 1 272 28 31 CYS HA H 4.49 0.01 1 273 28 31 CYS HB2 H 2.58 0.01 2 274 28 31 CYS HB3 H 3.25 0.01 2 275 28 31 CYS C C 176.1 0.1 1 276 28 31 CYS CA C 59.0 0.1 1 277 28 31 CYS CB C 31.6 0.1 1 278 28 31 CYS N N 117.8 0.1 1 279 29 32 SER H H 7.40 0.01 1 280 29 32 SER HA H 4.45 0.01 1 281 29 32 SER HB2 H 3.87 0.01 2 282 29 32 SER HB3 H 4.29 0.01 2 283 29 32 SER C C 172.3 0.1 1 284 29 32 SER CA C 57.1 0.1 1 285 29 32 SER CB C 64.0 0.1 1 286 29 32 SER N N 112.6 0.1 1 287 30 33 LYS H H 8.04 0.01 1 288 30 33 LYS HA H 3.08 0.01 1 289 30 33 LYS HB2 H 1.11 0.01 2 290 30 33 LYS HB3 H 1.48 0.01 2 291 30 33 LYS HG2 H 1.26 0.01 2 292 30 33 LYS HG3 H 1.15 0.01 2 293 30 33 LYS HD2 H 1.66 0.01 1 294 30 33 LYS HD3 H 1.66 0.01 1 295 30 33 LYS HE2 H 2.92 0.01 1 296 30 33 LYS HE3 H 2.92 0.01 1 297 30 33 LYS C C 177.9 0.1 1 298 30 33 LYS CA C 58.1 0.1 1 299 30 33 LYS CB C 31.4 0.1 1 300 30 33 LYS CG C 24.3 0.1 1 301 30 33 LYS CD C 28.9 0.1 1 302 30 33 LYS CE C 42.3 0.1 1 303 30 33 LYS N N 123.4 0.1 1 304 31 34 ARG H H 8.12 0.01 1 305 31 34 ARG HA H 3.45 0.01 1 306 31 34 ARG HB2 H 1.54 0.01 1 307 31 34 ARG HB3 H 1.54 0.01 1 308 31 34 ARG HG2 H 1.04 0.01 2 309 31 34 ARG HG3 H 0.53 0.01 2 310 31 34 ARG HD2 H 2.95 0.01 1 311 31 34 ARG HD3 H 2.95 0.01 1 312 31 34 ARG C C 177.4 0.1 1 313 31 34 ARG CA C 59.4 0.1 1 314 31 34 ARG CB C 29.5 0.1 1 315 31 34 ARG CG C 26.3 0.1 1 316 31 34 ARG CD C 43.1 0.1 1 317 31 34 ARG N N 117.8 0.1 1 318 32 35 CYS H H 7.55 0.01 1 319 32 35 CYS HA H 3.87 0.01 1 320 32 35 CYS HB2 H 2.92 0.01 1 321 32 35 CYS HB3 H 2.92 0.01 1 322 32 35 CYS C C 178.1 0.1 1 323 32 35 CYS CA C 66.3 0.1 1 324 32 35 CYS CB C 31.2 0.1 1 325 32 35 CYS N N 116.4 0.1 1 326 33 36 GLN H H 7.29 0.01 1 327 33 36 GLN HA H 2.11 0.01 1 328 33 36 GLN HB2 H 2.20 0.01 2 329 33 36 GLN HB3 H 1.57 0.01 2 330 33 36 GLN HG2 H 2.08 0.01 2 331 33 36 GLN HG3 H 1.78 0.01 2 332 33 36 GLN C C 177.0 0.1 1 333 33 36 GLN CA C 58.4 0.1 1 334 33 36 GLN CB C 29.0 0.1 1 335 33 36 GLN CG C 34.0 0.1 1 336 33 36 GLN N N 121.8 0.1 1 337 34 37 LEU H H 8.40 0.01 1 338 34 37 LEU HA H 3.93 0.01 1 339 34 37 LEU HB2 H 1.29 0.01 2 340 34 37 LEU HB3 H 1.96 0.01 2 341 34 37 LEU HG H 0.87 0.01 1 342 34 37 LEU HD1 H 0.82 0.01 2 343 34 37 LEU HD2 H 1.75 0.01 2 344 34 37 LEU C C 168.3 0.1 1 345 34 37 LEU CA C 57.6 0.1 1 346 34 37 LEU CB C 41.5 0.1 1 347 34 37 LEU CG C 25.9 0.1 1 348 34 37 LEU CD1 C 22.8 0.1 1 349 34 37 LEU CD2 C 22.8 0.1 1 350 34 37 LEU N N 119.1 0.1 1 351 35 38 ILE H H 8.25 0.01 1 352 35 38 ILE HA H 3.85 0.01 1 353 35 38 ILE HB H 1.69 0.01 1 354 35 38 ILE HG12 H 1.54 0.01 2 355 35 38 ILE HG13 H 0.90 0.01 2 356 35 38 ILE HG2 H 0.92 0.01 1 357 35 38 ILE HD1 H 0.57 0.01 1 358 35 38 ILE C C 179.2 0.1 1 359 35 38 ILE CA C 65.0 0.1 1 360 35 38 ILE CB C 38.1 0.1 1 361 35 38 ILE CG1 C 30.0 0.1 1 362 35 38 ILE CG2 C 17.3 0.1 1 363 35 38 ILE CD1 C 14.0 0.1 1 364 35 38 ILE N N 121.0 0.1 1 365 36 39 ASP H H 7.17 0.01 1 366 36 39 ASP HA H 4.38 0.01 1 367 36 39 ASP HB2 H 2.59 0.01 1 368 36 39 ASP HB3 H 2.59 0.01 1 369 36 39 ASP C C 177.4 0.1 1 370 36 39 ASP CA C 57.8 0.1 1 371 36 39 ASP CB C 43.9 0.1 1 372 36 39 ASP N N 121.6 0.1 1 373 37 40 LEU H H 7.63 0.01 1 374 37 40 LEU HA H 4.23 0.01 1 375 37 40 LEU HB2 H 1.81 0.01 2 376 37 40 LEU HB3 H 1.72 0.01 2 377 37 40 LEU HG H 0.87 0.01 1 378 37 40 LEU HD1 H 0.92 0.01 2 379 37 40 LEU HD2 H 1.84 0.01 2 380 37 40 LEU C C 178.1 0.1 1 381 37 40 LEU CA C 55.6 0.1 1 382 37 40 LEU CB C 43.2 0.1 1 383 37 40 LEU CG C 25.6 0.1 1 384 37 40 LEU CD1 C 23.5 0.1 1 385 37 40 LEU CD2 C 23.5 0.1 1 386 37 40 LEU N N 115.8 0.1 1 387 38 41 GLY H H 7.97 0.01 1 388 38 41 GLY HA2 H 4.14 0.01 2 389 38 41 GLY HA3 H 3.95 0.01 2 390 38 41 GLY C C 175.1 0.1 1 391 38 41 GLY CA C 45.7 0.1 1 392 38 41 GLY N N 107.6 0.1 1 393 39 42 GLU H H 8.07 0.01 1 394 39 42 GLU HA H 4.39 0.01 1 395 39 42 GLU HB2 H 1.71 0.01 2 396 39 42 GLU HB3 H 2.21 0.01 2 397 39 42 GLU HG2 H 2.13 0.01 1 398 39 42 GLU HG3 H 2.13 0.01 1 399 39 42 GLU C C 175.7 0.1 1 400 39 42 GLU CA C 56.0 0.1 1 401 39 42 GLU CB C 31.0 0.1 1 402 39 42 GLU CG C 36.2 0.1 1 403 39 42 GLU N N 119.1 0.1 1 404 40 43 TRP H H 7.79 0.01 1 405 40 43 TRP HA H 4.58 0.01 1 406 40 43 TRP HB2 H 2.95 0.01 2 407 40 43 TRP HB3 H 3.18 0.01 2 408 40 43 TRP HD1 H 7.18 0.01 1 409 40 43 TRP HE1 H 10.28 0.1 1 410 40 43 TRP HE3 H 7.57 0.01 1 411 40 43 TRP HZ2 H 7.64 0.01 1 412 40 43 TRP HZ3 H 7.07 0.01 1 413 40 43 TRP C C 175.3 0.1 1 414 40 43 TRP CA C 57.1 0.1 1 415 40 43 TRP CB C 30.8 0.1 1 416 40 43 TRP CD1 C 127.5 0.1 1 417 40 43 TRP CE3 C 120.9 0.1 1 418 40 43 TRP CZ2 C 114.9 0.1 1 419 40 43 TRP CZ3 C 121.6 0.1 1 420 40 43 TRP N N 121.4 0.1 1 421 40 43 TRP NE1 N 129.4 0.1 1 422 41 44 ALA H H 7.82 0.01 1 423 41 44 ALA HA H 4.14 0.01 1 424 41 44 ALA HB H 1.20 0.01 1 425 41 44 ALA C C 176.8 0.1 1 426 41 44 ALA CA C 52.1 0.1 1 427 41 44 ALA CB C 19.2 0.1 1 428 41 44 ALA N N 127.0 0.1 1 429 42 45 ALA H H 7.84 0.01 1 430 42 45 ALA HA H 4.13 0.01 1 431 42 45 ALA HB H 1.20 0.01 1 432 42 45 ALA C C 178.0 0.1 1 433 42 45 ALA CA C 52.6 0.1 1 434 42 45 ALA CB C 19.1 0.1 1 435 42 45 ALA N N 122.6 0.1 1 436 43 46 GLU H H 8.25 0.01 1 437 43 46 GLU HA H 4.18 0.01 1 438 43 46 GLU HB2 H 1.92 0.01 2 439 43 46 GLU HB3 H 2.01 0.01 2 440 43 46 GLU HG2 H 2.25 0.01 1 441 43 46 GLU HG3 H 2.25 0.01 1 442 43 46 GLU C C 176.7 0.1 1 443 43 46 GLU CA C 56.7 0.1 1 444 43 46 GLU CB C 30.2 0.1 1 445 43 46 GLU CG C 36.3 0.1 1 446 43 46 GLU N N 119.6 0.1 1 447 44 47 GLU H H 8.32 0.01 1 448 44 47 GLU HA H 4.23 0.01 1 449 44 47 GLU HB2 H 1.91 0.01 2 450 44 47 GLU HB3 H 2.02 0.01 2 451 44 47 GLU HG2 H 2.22 0.01 1 452 44 47 GLU HG3 H 2.22 0.01 1 453 44 47 GLU C C 176.4 0.1 1 454 44 47 GLU CA C 56.6 0.1 1 455 44 47 GLU CB C 30.2 0.1 1 456 44 47 GLU CG C 36.3 0.1 1 457 44 47 GLU N N 121.8 0.1 1 458 45 48 LYS H H 8.21 0.01 1 459 45 48 LYS HA H 4.30 0.01 1 460 45 48 LYS HB2 H 1.71 0.01 2 461 45 48 LYS HB3 H 1.81 0.01 2 462 45 48 LYS HG2 H 1.41 0.01 1 463 45 48 LYS HG3 H 1.41 0.01 1 464 45 48 LYS C C 176.8 0.1 1 465 45 48 LYS CA C 56.1 0.1 1 466 45 48 LYS CB C 32.8 0.1 1 467 45 48 LYS CG C 24.8 0.1 1 468 45 48 LYS CD C 29.1 0.1 1 469 45 48 LYS CE C 42.3 0.1 1 470 45 48 LYS N N 122.1 0.1 1 471 46 49 ARG H H 8.26 0.01 1 472 46 49 ARG HA H 4.33 0.01 1 473 46 49 ARG HB2 H 1.76 0.01 1 474 46 49 ARG HB3 H 1.76 0.01 1 475 46 49 ARG HG2 H 1.57 0.01 1 476 46 49 ARG HG3 H 1.57 0.01 1 477 46 49 ARG HD2 H 3.16 0.01 1 478 46 49 ARG HD3 H 3.16 0.01 1 479 46 49 ARG CA C 55.7 0.1 1 480 46 49 ARG CB C 30.8 0.1 1 481 46 49 ARG CG C 27.3 0.1 1 482 46 49 ARG CD C 43.3 0.1 1 483 46 49 ARG N N 122.6 0.1 1 484 47 50 ILE H H 8.25 0.01 1 485 47 50 ILE HA H 4.46 0.01 1 486 47 50 ILE HB H 1.88 0.01 1 487 47 50 ILE CA C 58.5 0.1 1 488 47 50 ILE CB C 38.5 0.1 1 489 47 50 ILE N N 124.1 0.1 1 490 48 51 PRO HA H 4.45 0.01 1 491 48 51 PRO HB2 H 2.05 0.01 2 492 48 51 PRO HB3 H 2.31 0.01 2 493 48 51 PRO HG2 H 1.96 0.01 1 494 48 51 PRO HG3 H 1.96 0.01 1 495 48 51 PRO HD2 H 3.70 0.01 1 496 48 51 PRO HD3 H 3.70 0.01 1 497 48 51 PRO C C 176.9 0.1 1 498 48 51 PRO CA C 63.5 0.1 1 499 48 51 PRO CB C 32.3 0.1 1 500 48 51 PRO CG C 27.5 0.1 1 501 48 51 PRO CD C 51.2 0.1 1 502 49 52 SER H H 8.50 0.01 1 503 49 52 SER HA H 4.45 0.01 1 504 49 52 SER HB2 H 3.94 0.01 1 505 49 52 SER HB3 H 3.94 0.01 1 506 49 52 SER C C 174.9 0.1 1 507 49 52 SER CA C 58.2 0.1 1 508 49 52 SER CB C 64.0 0.1 1 509 49 52 SER N N 116.5 0.1 1 510 50 53 SER H H 8.42 0.01 1 511 50 53 SER HA H 4.47 0.01 1 512 50 53 SER HB2 H 3.92 0.01 1 513 50 53 SER HB3 H 3.92 0.01 1 514 50 53 SER C C 175.1 0.1 1 515 50 53 SER CA C 58.5 0.1 1 516 50 53 SER CB C 63.8 0.1 1 517 50 53 SER N N 117.7 0.1 1 518 51 54 GLY H H 8.41 0.01 1 519 51 54 GLY HA2 H 3.98 0.01 1 520 51 54 GLY HA3 H 3.98 0.01 1 521 51 54 GLY C C 173.8 0.1 1 522 51 54 GLY CA C 45.3 0.1 1 523 51 54 GLY N N 110.7 0.1 1 524 52 55 ASP H H 8.19 0.01 1 525 52 55 ASP HA H 4.62 0.01 1 526 52 55 ASP HB2 H 2.62 0.01 2 527 52 55 ASP HB3 H 2.73 0.01 2 528 52 55 ASP C C 176.4 0.1 1 529 52 55 ASP CA C 54.3 0.1 1 530 52 55 ASP CB C 41.0 0.1 1 531 52 55 ASP N N 120.5 0.1 1 532 53 56 LEU H H 8.26 0.01 1 533 53 56 LEU HA H 4.38 0.01 1 534 53 56 LEU HB2 H 1.66 0.01 1 535 53 56 LEU HB3 H 1.66 0.01 1 536 53 56 LEU HG H 1.58 0.01 1 537 53 56 LEU C C 177.6 0.1 1 538 53 56 LEU CA C 55.2 0.1 1 539 53 56 LEU CB C 41.9 0.1 1 540 53 56 LEU CG C 27.1 0.1 1 541 53 56 LEU CD1 C 23.5 0.1 2 542 53 56 LEU CD2 C 25.1 0.1 2 543 53 56 LEU N N 122.8 0.1 1 544 54 57 SER H H 8.36 0.01 1 545 54 57 SER HA H 4.40 0.01 1 546 54 57 SER HB2 H 3.87 0.01 1 547 54 57 SER HB3 H 3.87 0.01 1 548 54 57 SER C C 174.7 0.1 1 549 54 57 SER CA C 58.5 0.1 1 550 54 57 SER CB C 63.8 0.1 1 551 54 57 SER N N 116.6 0.1 1 552 55 58 GLU H H 8.39 0.01 1 553 55 58 GLU HA H 4.39 0.01 1 554 55 58 GLU HB2 H 1.95 0.01 2 555 55 58 GLU HB3 H 2.12 0.01 2 556 55 58 GLU HG2 H 2.29 0.01 1 557 55 58 GLU HG3 H 2.29 0.01 1 558 55 58 GLU C C 176.5 0.1 1 559 55 58 GLU CA C 56.5 0.1 1 560 55 58 GLU CB C 30.3 0.1 1 561 55 58 GLU CG C 36.4 0.1 1 562 55 58 GLU N N 122.6 0.1 1 563 56 59 SER H H 8.22 0.01 1 564 56 59 SER HA H 4.43 0.01 1 565 56 59 SER HB2 H 3.86 0.01 1 566 56 59 SER HB3 H 3.86 0.01 1 567 56 59 SER C C 174.4 0.1 1 568 56 59 SER CA C 58.2 0.1 1 569 56 59 SER CB C 63.9 0.1 1 570 56 59 SER N N 116.0 0.1 1 571 57 60 ASP H H 8.35 0.01 1 572 57 60 ASP HA H 4.60 0.01 1 573 57 60 ASP HB2 H 2.59 0.01 1 574 57 60 ASP HB3 H 2.59 0.01 1 575 57 60 ASP C C 175.9 0.1 1 576 57 60 ASP CA C 54.5 0.1 1 577 57 60 ASP CB C 41.1 0.1 1 578 57 60 ASP N N 122.7 0.1 1 579 58 61 ASP H H 8.21 0.01 1 580 58 61 ASP HA H 4.57 0.01 1 581 58 61 ASP HB2 H 2.61 0.01 1 582 58 61 ASP HB3 H 2.61 0.01 1 583 58 61 ASP C C 176.0 0.1 1 584 58 61 ASP CA C 54.2 0.1 1 585 58 61 ASP CB C 41.0 0.1 1 586 58 61 ASP N N 120.2 0.1 1 587 59 62 TRP H H 8.07 0.01 1 588 59 62 TRP HA H 4.67 0.01 1 589 59 62 TRP HB2 H 3.31 0.01 1 590 59 62 TRP HB3 H 3.31 0.01 1 591 59 62 TRP HD1 H 7.27 0.01 1 592 59 62 TRP HE1 H 10.14 0.01 1 593 59 62 TRP HE3 H 7.62 0.01 1 594 59 62 TRP HZ2 H 7.50 0.01 1 595 59 62 TRP HZ3 H 7.15 0.01 1 596 59 62 TRP HH2 H 7.24 0.01 1 597 59 62 TRP C C 176.2 0.1 1 598 59 62 TRP CA C 57.2 0.1 1 599 59 62 TRP CB C 29.5 0.1 1 600 59 62 TRP CD1 C 127.3 0.1 1 601 59 62 TRP CE3 C 121.0 0.1 1 602 59 62 TRP CZ2 C 114.7 0.1 1 603 59 62 TRP CZ3 C 122.0 0.1 1 604 59 62 TRP CH2 C 124.6 0.1 1 605 59 62 TRP N N 121.7 0.1 1 606 59 62 TRP NE1 N 129.5 0.1 1 607 60 63 SER H H 7.93 0.01 1 608 60 63 SER HA H 4.29 0.01 1 609 60 63 SER HB2 H 3.76 0.01 2 610 60 63 SER HB3 H 3.68 0.01 2 611 60 63 SER C C 173.9 0.1 1 612 60 63 SER CA C 58.2 0.1 1 613 60 63 SER CB C 63.9 0.1 1 614 60 63 SER N N 117.9 0.1 1 615 61 64 GLU H H 8.17 0.01 1 616 61 64 GLU HA H 4.22 0.01 1 617 61 64 GLU HB2 H 1.88 0.01 2 618 61 64 GLU HB3 H 2.04 0.01 2 619 61 64 GLU HG2 H 2.24 0.01 1 620 61 64 GLU HG3 H 2.24 0.01 1 621 61 64 GLU C C 176.1 0.1 1 622 61 64 GLU CA C 56.0 0.1 1 623 61 64 GLU CB C 30.4 0.1 1 624 61 64 GLU CG C 36.3 0.1 1 625 61 64 GLU N N 122.4 0.1 1 626 62 65 GLU H H 8.31 0.01 1 627 62 65 GLU HA H 4.52 0.01 1 628 62 65 GLU HB2 H 1.89 0.01 2 629 62 65 GLU HB3 H 2.03 0.01 2 630 62 65 GLU HG2 H 2.28 0.01 1 631 62 65 GLU HG3 H 2.28 0.01 1 632 62 65 GLU CA C 54.4 0.1 1 633 62 65 GLU CB C 29.8 0.1 1 634 62 65 GLU N N 123.4 0.1 1 635 63 66 PRO HA H 4.41 0.01 1 636 63 66 PRO HB2 H 2.28 0.01 2 637 63 66 PRO HB3 H 2.01 0.01 2 638 63 66 PRO HG2 H 1.88 0.01 1 639 63 66 PRO HG3 H 1.88 0.01 1 640 63 66 PRO C C 176.9 0.1 1 641 63 66 PRO CA C 63.3 0.1 1 642 63 66 PRO CB C 32.2 0.1 1 643 63 66 PRO CG C 27.6 0.1 1 644 63 66 PRO CD C 50.7 0.1 1 645 64 67 LYS H H 8.46 0.01 1 646 64 67 LYS HA H 4.31 0.01 1 647 64 67 LYS HB2 H 1.78 0.01 2 648 64 67 LYS HB3 H 1.87 0.01 2 649 64 67 LYS HG2 H 1.47 0.01 1 650 64 67 LYS HG3 H 1.47 0.01 1 651 64 67 LYS C C 176.3 0.1 1 652 64 67 LYS CA C 55.9 0.1 1 653 64 67 LYS CB C 32.8 0.1 1 654 64 67 LYS N N 122.2 0.1 1 655 65 68 GLN H H 8.51 0.01 1 656 65 68 GLN CA C 55.9 0.1 1 657 65 68 GLN CB C 29.5 0.1 1 658 65 68 GLN N N 122.1 0.1 1 stop_ save_