data_6275 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C and 15N resonance assignments for the six-zinc finger domain of the MTF-1 metalloregulatory protein in the free state ; _BMRB_accession_number 6275 _BMRB_flat_file_name bmr6275.str _Entry_type original _Submission_date 2004-07-26 _Accession_date 2004-07-27 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'All data recorded on a Varian Inova 600 MHz spectrometer' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Matskevich Viktor . . 2 Potter Belinda M. . 3 Laity John H. . 4 Andrews Glen K. . 5 Knudsen Nathan A. . 6 Feng Linda S. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 918 "13C chemical shifts" 748 "15N chemical shifts" 161 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2005-07-25 original author . stop_ loop_ _Related_BMRB_accession_number _Relationship 6276 'MTF-1 in the DNA bound state (17bp)' 6408 'Two Zinc MTF-1' 6409 'Four Zinc MTF-1' 6445 'MTF-1 in the DNA bound state (22bp)' stop_ _Original_release_date 2005-07-25 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'NMR assignment of the six zinc fingers of MTF-1 in the free and DNA bound states' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Potter Belinda M. . 2 Knudsen Nathan A. . 3 Feng Linda S. . 4 Matskevich Viktor . . 5 Wilson Jed A. . 6 Andrews Glen K. . 7 Laity John H. . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_volume 31 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 94 _Page_last 94 _Year 2005 _Details . loop_ _Keyword 'DNA binding' metal-sensing 'transcription factor' 'zinc affinities' 'zinc fingers' 'zinc homeostasis' stop_ save_ ####################################### # Cited references within the entry # ####################################### save_Original_cloning_of_MTF-1 _Saveframe_category citation _Citation_full ; Radtke, F., Heuchel, R., Georgiev, O., Hergersberg, M., Gariglio, M., Dembic, Z., and Schaffner, W. (1993). Cloned transcription factor MTF-1 activates the mouse metallothionein I promoter. EMBO J., 12, 1355-1362. ; _Citation_title 'Cloned transcription factor MTF-1 activates the mouse metallothionein I promoter.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 8467794 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Radtke F. . . 2 Heuchel R. . . 3 Georgiev O. . . 4 Hergersberg M. . . 5 Gariglio M. . . 6 Dembic Z. . . 7 Schaffner W. . . stop_ _Journal_abbreviation 'EMBO J.' _Journal_name_full 'The EMBO journal' _Journal_volume 12 _Journal_issue 4 _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 1355 _Page_last 1362 _Year 1993 _Details ; Metallothioneins (MTs) are small cysteine-rich proteins whose structure is conserved from fungi to man. MTs strongly bind heavy metals, notably zinc, copper and cadmium. Upon exposure of cells to heavy metal and other adverse treatments, MT gene transcription is strongly enhanced. Metal induction is mediated by several copies of a 15 bp consensus sequence (metal-responsive element, MRE) present in the promoter region of MT genes. We and others have demonstrated the presence of an MRE-binding factor in HeLa cell nuclear extracts. We found that this factor, termed MTF-1 (MRE-binding transcription factor) is inactivated/reactivated in vitro by zinc withdrawal/addition. Here we report that the amounts of MTF-1-DNA complexes are elevated several-fold in zinc-treated cells, as measured by bandshift assay. We have also cloned the cDNA of mouse MTF-1, a 72.5 kDa protein. MTF-1 contains six zinc fingers and separate transcriptional activation domains with high contents of acidic and proline residues. Ectopic expression of MTF-1 in primate or rodent cells strongly enhances transcription of a reporter gene that is driven by four consensus MREd sites, or by the complete mouse MT-I promoter, even at normal zinc levels. ; save_ ################################## # Molecular system description # ################################## save_system_MTF-1 _Saveframe_category molecular_system _Mol_system_name 'Metal-response element-binding transcription factor-1' _Abbreviation_common MTF-1 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'MTF-1 monomer' $MTF-1 'ZINC (II) ION 1' $ZN 'ZINC (II) ION 2' $ZN 'ZINC (II) ION 3' $ZN 'ZINC (II) ION 4' $ZN 'ZINC (II) ION 5' $ZN 'ZINC (II) ION 6' $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 'transcription factor' 'metalloregulatory protein' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_MTF-1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'metal-response element-binding transcription factor-1' _Abbreviation_common MTF-1 _Molecular_mass 20367 _Mol_thiol_state 'all other bound' _Details 'Six Cys2His2 zinc finger motifs' ############################## # Polymer residue sequence # ############################## _Residue_count 177 _Mol_residue_sequence ; VKRYQCTFEGCPRTYSTAGN LRTHQKTHRGEYTFVCNQEG CGKAFLTSYSLRIHVRVHTK EKPFECDVQGCEKAFNTLYR LKAHQRLHTGKTFNCESQGC SKYFTTLSDLRKHIRTHTGE KPFRCDHDGCGKAFAASHHL KTHVRTHTGERPFFCPSNGC EKTFSTQYSLKSHMKGH ; loop_ _Residue_seq_code _Residue_label 1 VAL 2 LYS 3 ARG 4 TYR 5 GLN 6 CYS 7 THR 8 PHE 9 GLU 10 GLY 11 CYS 12 PRO 13 ARG 14 THR 15 TYR 16 SER 17 THR 18 ALA 19 GLY 20 ASN 21 LEU 22 ARG 23 THR 24 HIS 25 GLN 26 LYS 27 THR 28 HIS 29 ARG 30 GLY 31 GLU 32 TYR 33 THR 34 PHE 35 VAL 36 CYS 37 ASN 38 GLN 39 GLU 40 GLY 41 CYS 42 GLY 43 LYS 44 ALA 45 PHE 46 LEU 47 THR 48 SER 49 TYR 50 SER 51 LEU 52 ARG 53 ILE 54 HIS 55 VAL 56 ARG 57 VAL 58 HIS 59 THR 60 LYS 61 GLU 62 LYS 63 PRO 64 PHE 65 GLU 66 CYS 67 ASP 68 VAL 69 GLN 70 GLY 71 CYS 72 GLU 73 LYS 74 ALA 75 PHE 76 ASN 77 THR 78 LEU 79 TYR 80 ARG 81 LEU 82 LYS 83 ALA 84 HIS 85 GLN 86 ARG 87 LEU 88 HIS 89 THR 90 GLY 91 LYS 92 THR 93 PHE 94 ASN 95 CYS 96 GLU 97 SER 98 GLN 99 GLY 100 CYS 101 SER 102 LYS 103 TYR 104 PHE 105 THR 106 THR 107 LEU 108 SER 109 ASP 110 LEU 111 ARG 112 LYS 113 HIS 114 ILE 115 ARG 116 THR 117 HIS 118 THR 119 GLY 120 GLU 121 LYS 122 PRO 123 PHE 124 ARG 125 CYS 126 ASP 127 HIS 128 ASP 129 GLY 130 CYS 131 GLY 132 LYS 133 ALA 134 PHE 135 ALA 136 ALA 137 SER 138 HIS 139 HIS 140 LEU 141 LYS 142 THR 143 HIS 144 VAL 145 ARG 146 THR 147 HIS 148 THR 149 GLY 150 GLU 151 ARG 152 PRO 153 PHE 154 PHE 155 CYS 156 PRO 157 SER 158 ASN 159 GLY 160 CYS 161 GLU 162 LYS 163 THR 164 PHE 165 SER 166 THR 167 GLN 168 TYR 169 SER 170 LEU 171 LYS 172 SER 173 HIS 174 MET 175 LYS 176 GLY 177 HIS 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 BMRB 6276 'metal-response element-binding transcription factor-1' 100.00 177 100.00 100.00 6.69e-99 BMRB 6445 'metal-response element-binding transcription factor-1' 100.00 177 100.00 100.00 6.69e-99 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 Aug 1 10:53:48 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 _Organ _Tissue _Fraction _Plasmid _Gene_mnemonic $MTF-1 mouse 10090 Eukaryota Metazoa Mus musculus ubiquitous ubiquitous 'cytoplasm and nucleus' 'I.M.A.G.E. Consortium Clone ID 1260636' MTF-1 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 $MTF-1 'recombinant technology' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_all_samples _Saveframe_category sample _Sample_type solution _Details 'Backbone spectra were recorded with 95% H2O/5% D2O and side chain spectra were recorded with 95% D2O/5% H2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $MTF-1 1.0 mM 0.8 1.2 '[U-98% 13C; U-98% 15N]' '2-Morpholinoethanesulfonic acid' 20 mM . . . H2O 95 % . . . D2O 5 % . . . stop_ save_ ############################ # Computer software used # ############################ save_NMRView _Saveframe_category software _Name NMRView _Version 5.0.4 loop_ _Task 'Data analysis' stop_ _Details ; Johnson, B.A. and Blevins, R.A.(1994) NMRView: A computer program for the visualization and analysis of NMR Data. J. Biomol. NMR 4, 603-614. ; save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version 97.027.12.56 loop_ _Task 'Raw spectral data processing' stop_ _Details ; Delaglio, F., Grzesiek, S., Vuister, G.W., Zhu, G., Pfeifer, J., & Bax, A. (1995). NMRPipe: a multidimensional spectral processing system based on UNIX pipes. J. Biomol. NMR 6, 277-293. ; save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_EXPERIMENTS:_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D EXPERIMENTS:' _Sample_label $all_samples save_ save_1H-15N_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N HSQC' _Sample_label $all_samples save_ save_3D_EXPERIMENTS:_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D EXPERIMENTS:' _Sample_label $all_samples save_ save_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _Sample_label $all_samples save_ save_HNCA_5 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _Sample_label $all_samples save_ save_CBCA(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name CBCA(CO)NH _Sample_label $all_samples save_ save_(HCA)CO(CA)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name (HCA)CO(CA)NH _Sample_label $all_samples save_ save_HNCO_8 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _Sample_label $all_samples save_ save_3J-HNHA_9 _Saveframe_category NMR_applied_experiment _Experiment_name 3J-HNHA _Sample_label $all_samples save_ save_HCCH-TOCSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-TOCSY _Sample_label $all_samples save_ save_HCCH-COSY_11 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-COSY _Sample_label $all_samples save_ save_1H-15N-HSQC-NOESY_12 _Saveframe_category NMR_applied_experiment _Experiment_name 1H-15N-HSQC-NOESY _Sample_label $all_samples save_ save_1H-13C-HSQC-NOESY_(two_data_sets_with_carbon-transmitter_centered_at_119_and_37_ppm)_13 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-13C-HSQC-NOESY (two data sets with carbon-transmitter centered at 119 and 37 ppm)' _Sample_label $all_samples save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D EXPERIMENTS:' _BMRB_pulse_sequence_accession_number . _Details 'Either an RT HCN Triax probe or a cryogenically cooled HCN Triax probe (cryoprobe) was used for all experiments' save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N HSQC' _BMRB_pulse_sequence_accession_number . _Details 'Either an RT HCN Triax probe or a cryogenically cooled HCN Triax probe (cryoprobe) was used for all experiments' save_ save_NMR_spec_expt__0_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D EXPERIMENTS:' _BMRB_pulse_sequence_accession_number . _Details 'Either an RT HCN Triax probe or a cryogenically cooled HCN Triax probe (cryoprobe) was used for all experiments' save_ save_NMR_spec_expt__0_4 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _BMRB_pulse_sequence_accession_number . _Details 'Either an RT HCN Triax probe or a cryogenically cooled HCN Triax probe (cryoprobe) was used for all experiments' save_ save_NMR_spec_expt__0_5 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _BMRB_pulse_sequence_accession_number . _Details 'Either an RT HCN Triax probe or a cryogenically cooled HCN Triax probe (cryoprobe) was used for all experiments' save_ save_NMR_spec_expt__0_6 _Saveframe_category NMR_applied_experiment _Experiment_name CBCA(CO)NH _BMRB_pulse_sequence_accession_number . _Details 'Either an RT HCN Triax probe or a cryogenically cooled HCN Triax probe (cryoprobe) was used for all experiments' save_ save_NMR_spec_expt__0_7 _Saveframe_category NMR_applied_experiment _Experiment_name (HCA)CO(CA)NH _BMRB_pulse_sequence_accession_number . _Details 'Either an RT HCN Triax probe or a cryogenically cooled HCN Triax probe (cryoprobe) was used for all experiments' save_ save_NMR_spec_expt__0_8 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _BMRB_pulse_sequence_accession_number . _Details 'Either an RT HCN Triax probe or a cryogenically cooled HCN Triax probe (cryoprobe) was used for all experiments' save_ save_NMR_spec_expt__0_9 _Saveframe_category NMR_applied_experiment _Experiment_name 3J-HNHA _BMRB_pulse_sequence_accession_number . _Details 'Either an RT HCN Triax probe or a cryogenically cooled HCN Triax probe (cryoprobe) was used for all experiments' save_ save_NMR_spec_expt__0_10 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-TOCSY _BMRB_pulse_sequence_accession_number . _Details 'Either an RT HCN Triax probe or a cryogenically cooled HCN Triax probe (cryoprobe) was used for all experiments' save_ save_NMR_spec_expt__0_11 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-COSY _BMRB_pulse_sequence_accession_number . _Details 'Either an RT HCN Triax probe or a cryogenically cooled HCN Triax probe (cryoprobe) was used for all experiments' save_ save_NMR_spec_expt__0_12 _Saveframe_category NMR_applied_experiment _Experiment_name 1H-15N-HSQC-NOESY _BMRB_pulse_sequence_accession_number . _Details 'Either an RT HCN Triax probe or a cryogenically cooled HCN Triax probe (cryoprobe) was used for all experiments' save_ save_NMR_spec_expt__0_13 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-13C-HSQC-NOESY (two data sets with carbon-transmitter centered at 119 and 37 ppm)' _BMRB_pulse_sequence_accession_number . _Details 'Either an RT HCN Triax probe or a cryogenically cooled HCN Triax probe (cryoprobe) was used for all experiments' save_ ####################### # Sample conditions # ####################### save_Cond_1 _Saveframe_category sample_conditions _Details ; Protein was produced in a reduced lyopholized form (free thiols). Protein was subsequently resuspended in degassed buffer under anaerobic conditions. ; loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.9 0.03 pH temperature 303 0.1 K 'ionic strength' 0.01 0.01 M 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 . . . 1.0 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_MTF-1_free _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $all_samples stop_ _Sample_conditions_label $Cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'MTF-1 monomer' _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 . 3 ARG CA C 55.0 0.31 1 2 . 3 ARG CB C 32.6 0.31 1 3 . 4 TYR H H 8.76 0.015 1 4 . 4 TYR HA H 4.48 0.015 1 5 . 4 TYR HB2 H 2.86 0.02 1 6 . 4 TYR HB3 H 2.70 0.02 1 7 . 4 TYR HD1 H 6.94 0.02 1 8 . 4 TYR HD2 H 6.94 0.02 1 9 . 4 TYR HE1 H 6.76 0.02 1 10 . 4 TYR HE2 H 6.76 0.02 1 11 . 4 TYR C C 174.9 0.08 1 12 . 4 TYR CA C 57.6 0.31 1 13 . 4 TYR CB C 38.6 0.31 1 14 . 4 TYR CD1 C 133.2 0.31 1 15 . 4 TYR CD2 C 133.2 0.31 1 16 . 4 TYR CE1 C 118.2 0.31 1 17 . 4 TYR CE2 C 118.2 0.31 1 18 . 4 TYR N N 121.2 0.14 1 19 . 5 GLN H H 8.50 0.015 1 20 . 5 GLN HA H 4.84 0.015 1 21 . 5 GLN HB2 H 1.97 0.02 4 22 . 5 GLN HB3 H 1.91 0.02 4 23 . 5 GLN HG2 H 2.49 0.02 1 24 . 5 GLN HG3 H 2.23 0.02 1 25 . 5 GLN C C 174.4 0.08 1 26 . 5 GLN CA C 54.8 0.31 1 27 . 5 GLN CB C 30.6 0.31 1 28 . 5 GLN CG C 36.5 0.31 1 29 . 5 GLN N N 124.7 0.14 1 30 . 6 CYS H H 8.47 0.015 1 31 . 6 CYS HA H 4.37 0.015 1 32 . 6 CYS HB2 H 3.17 0.02 1 33 . 6 CYS HB3 H 2.88 0.02 1 34 . 6 CYS C C 176.0 0.08 1 35 . 6 CYS CA C 62.4 0.31 1 36 . 6 CYS CB C 29.8 0.31 1 37 . 6 CYS N N 126.4 0.14 1 38 . 7 THR H H 7.65 0.015 1 39 . 7 THR HA H 4.37 0.015 1 40 . 7 THR HB H 4.48 0.02 1 41 . 7 THR HG2 H 1.25 0.02 1 42 . 7 THR C C 174.8 0.08 1 43 . 7 THR CA C 61.9 0.31 1 44 . 7 THR CB C 69.2 0.31 1 45 . 7 THR CG2 C 21.8 0.31 1 46 . 7 THR N N 116.4 0.14 1 47 . 8 PHE H H 8.93 0.015 1 48 . 8 PHE HA H 4.06 0.015 1 49 . 8 PHE HB2 H 2.52 0.02 1 50 . 8 PHE HB3 H 2.26 0.02 1 51 . 8 PHE HD1 H 6.74 0.02 1 52 . 8 PHE HD2 H 6.74 0.02 1 53 . 8 PHE HE1 H 6.68 0.02 1 54 . 8 PHE HE2 H 6.68 0.02 1 55 . 8 PHE HZ H 7.11 0.02 1 56 . 8 PHE C C 175.8 0.08 1 57 . 8 PHE CA C 59.1 0.31 1 58 . 8 PHE CB C 38.8 0.31 1 59 . 8 PHE CD1 C 132.2 0.31 1 60 . 8 PHE CD2 C 132.2 0.31 1 61 . 8 PHE CE1 C 131.6 0.31 1 62 . 8 PHE CE2 C 131.6 0.31 1 63 . 8 PHE CZ C 132.9 0.31 1 64 . 8 PHE N N 128.2 0.14 1 65 . 9 GLU H H 8.06 0.015 1 66 . 9 GLU HA H 3.82 0.015 1 67 . 9 GLU HB2 H 1.90 0.02 1 68 . 9 GLU HB3 H 1.80 0.02 1 69 . 9 GLU HG2 H 2.20 0.02 1 70 . 9 GLU HG3 H 2.13 0.02 1 71 . 9 GLU C C 176.8 0.08 1 72 . 9 GLU CA C 58.3 0.31 1 73 . 9 GLU CB C 29.4 0.31 1 74 . 9 GLU CG C 35.9 0.31 1 75 . 9 GLU N N 127.2 0.14 1 76 . 10 GLY H H 8.74 0.015 5 77 . 10 GLY HA2 H 4.13 0.02 4 78 . 10 GLY HA3 H 3.66 0.02 4 79 . 10 GLY C C 173.7 0.08 5 80 . 10 GLY CA C 45.4 0.31 5 81 . 10 GLY N N 113.5 0.14 5 82 . 11 CYS H H 8.16 0.015 1 83 . 11 CYS HA H 4.89 0.015 1 84 . 11 CYS HB2 H 3.33 0.02 1 85 . 11 CYS HB3 H 2.86 0.02 1 86 . 11 CYS C C 175.4 0.08 1 87 . 11 CYS CA C 57.2 0.31 1 88 . 11 CYS CB C 31.0 0.31 1 89 . 11 CYS N N 125.1 0.14 1 90 . 12 PRO C C 177.3 0.08 1 91 . 12 PRO CA C 63.0 0.31 1 92 . 12 PRO CB C 32.5 0.31 1 93 . 13 ARG H H 8.11 0.015 1 94 . 13 ARG HA H 3.96 0.015 1 95 . 13 ARG HB2 H 1.74 0.02 4 96 . 13 ARG HB3 H 1.74 0.02 4 97 . 13 ARG HG2 H 1.50 0.02 4 98 . 13 ARG HG3 H 1.50 0.02 4 99 . 13 ARG HD2 H 3.17 0.02 4 100 . 13 ARG HD3 H 3.17 0.02 4 101 . 13 ARG C C 175.1 0.08 1 102 . 13 ARG CA C 57.4 0.31 1 103 . 13 ARG CB C 30.5 0.31 1 104 . 13 ARG CG C 27.5 0.31 1 105 . 13 ARG CD C 43.7 0.31 1 106 . 13 ARG N N 122.4 0.14 1 107 . 14 THR H H 7.46 0.015 1 108 . 14 THR HA H 4.99 0.015 1 109 . 14 THR HB H 3.77 0.02 1 110 . 14 THR HG2 H 1.06 0.02 1 111 . 14 THR C C 172.4 0.08 1 112 . 14 THR CA C 59.9 0.31 1 113 . 14 THR CB C 71.9 0.31 1 114 . 14 THR CG2 C 20.8 0.31 1 115 . 14 THR N N 112.0 0.14 1 116 . 15 TYR H H 8.61 0.015 1 117 . 15 TYR HA H 4.74 0.015 1 118 . 15 TYR HB2 H 3.38 0.02 1 119 . 15 TYR HB3 H 2.63 0.02 1 120 . 15 TYR HD1 H 7.05 0.02 1 121 . 15 TYR HD2 H 7.05 0.02 1 122 . 15 TYR HE1 H 6.35 0.02 1 123 . 15 TYR HE2 H 6.35 0.02 1 124 . 15 TYR C C 175.4 0.08 1 125 . 15 TYR CA C 58.0 0.31 1 126 . 15 TYR CB C 44.2 0.31 1 127 . 15 TYR CD1 C 127.2 0.31 1 128 . 15 TYR CD2 C 127.2 0.31 1 129 . 15 TYR CE1 C 118.5 0.31 1 130 . 15 TYR CE2 C 118.5 0.31 1 131 . 15 TYR N N 119.0 0.14 1 132 . 16 SER C C 174.4 0.08 1 133 . 16 SER CA C 59.3 0.31 1 134 . 16 SER CB C 64.2 0.31 1 135 . 17 THR H H 7.26 0.015 1 136 . 17 THR HA H 4.58 0.015 1 137 . 17 THR HB H 4.34 0.02 1 138 . 17 THR HG2 H 1.17 0.02 1 139 . 17 THR C C 173.4 0.08 1 140 . 17 THR CA C 58.9 0.31 1 141 . 17 THR CB C 72.4 0.31 1 142 . 17 THR CG2 C 20.6 0.31 1 143 . 17 THR N N 108.3 0.14 1 144 . 18 ALA H H 8.28 0.015 1 145 . 18 ALA HA H 3.23 0.015 1 146 . 18 ALA HB H 1.08 0.02 1 147 . 18 ALA C C 180.8 0.08 1 148 . 18 ALA CA C 54.2 0.31 1 149 . 18 ALA CB C 17.9 0.31 1 150 . 18 ALA N N 125.0 0.14 1 151 . 19 GLY H H 8.60 0.015 1 152 . 19 GLY HA2 H 3.78 0.02 4 153 . 19 GLY HA3 H 3.62 0.02 4 154 . 19 GLY C C 176.2 0.08 1 155 . 19 GLY CA C 46.9 0.31 1 156 . 19 GLY N N 106.3 0.31 1 157 . 20 ASN H H 7.63 0.015 1 158 . 20 ASN HA H 4.37 0.015 1 159 . 20 ASN HB2 H 2.73 0.02 1 160 . 20 ASN HB3 H 2.65 0.02 1 161 . 20 ASN C C 177.8 0.08 1 162 . 20 ASN CA C 55.0 0.31 1 163 . 20 ASN CB C 37.4 0.31 1 164 . 20 ASN N N 120.2 0.14 1 165 . 21 LEU H H 7.16 0.015 1 166 . 21 LEU HA H 3.67 0.015 1 167 . 21 LEU HB2 H 1.97 0.02 1 168 . 21 LEU HB3 H 1.42 0.02 1 169 . 21 LEU HG H 1.50 0.02 1 170 . 21 LEU HD1 H 1.14 0.02 2 171 . 21 LEU HD2 H 1.01 0.02 2 172 . 21 LEU C C 177.6 0.08 1 173 . 21 LEU CA C 58.1 0.31 1 174 . 21 LEU CB C 40.3 0.31 1 175 . 21 LEU CG C 27.5 0.31 1 176 . 21 LEU CD1 C 22.8 0.31 1 177 . 21 LEU CD2 C 22.8 0.31 1 178 . 21 LEU N N 121.6 0.14 1 179 . 22 ARG H H 8.21 0.015 1 180 . 22 ARG HA H 4.06 0.015 1 181 . 22 ARG HB2 H 1.86 0.02 1 182 . 22 ARG HB3 H 1.86 0.02 1 183 . 22 ARG HG2 H 1.53 0.02 1 184 . 22 ARG HG3 H 1.53 0.02 1 185 . 22 ARG HD2 H 3.18 0.02 1 186 . 22 ARG HD3 H 3.18 0.02 1 187 . 22 ARG C C 179.4 0.08 1 188 . 22 ARG CA C 59.7 0.31 1 189 . 22 ARG CB C 29.9 0.31 1 190 . 22 ARG CG C 27.5 0.31 1 191 . 22 ARG CD C 43.7 0.31 1 192 . 22 ARG N N 120.3 0.14 1 193 . 23 THR H H 7.86 0.015 1 194 . 23 THR HA H 3.72 0.015 1 195 . 23 THR HB H 4.03 0.02 1 196 . 23 THR HG2 H 1.14 0.02 1 197 . 23 THR C C 176.5 0.08 1 198 . 23 THR CA C 66.4 0.31 1 199 . 23 THR CB C 68.4 0.31 1 200 . 23 THR CG2 C 22.1 0.31 1 201 . 23 THR N N 115.7 0.14 1 202 . 24 HIS H H 7.37 0.015 1 203 . 24 HIS HA H 4.27 0.015 1 204 . 24 HIS HB2 H 3.10 0.02 1 205 . 24 HIS HB3 H 2.92 0.02 1 206 . 24 HIS HE1 H 7.70 0.02 1 207 . 24 HIS C C 178.2 0.08 1 208 . 24 HIS CA C 59.0 0.31 1 209 . 24 HIS CB C 28.0 0.31 1 210 . 24 HIS CE1 C 139.4 0.31 1 211 . 24 HIS N N 120.7 0.14 1 212 . 25 GLN H H 8.89 0.015 1 213 . 25 GLN HA H 3.49 0.015 1 214 . 25 GLN HB2 H 2.34 0.02 1 215 . 25 GLN HB3 H 2.05 0.02 1 216 . 25 GLN HG2 H 2.82 0.02 1 217 . 25 GLN HG3 H 2.64 0.02 1 218 . 25 GLN C C 177.8 0.08 1 219 . 25 GLN CA C 60.0 0.31 1 220 . 25 GLN CB C 28.4 0.31 1 221 . 25 GLN CG C 36.18 0.31 1 222 . 25 GLN N N 120.0 0.14 1 223 . 26 LYS H H 7.16 0.015 1 224 . 26 LYS HA H 4.01 0.015 1 225 . 26 LYS HB2 H 1.85 0.02 1 226 . 26 LYS HB3 H 1.85 0.02 1 227 . 26 LYS HG2 H 1.45 0.02 1 228 . 26 LYS HG3 H 1.64 0.02 4 229 . 26 LYS HD2 H 1.64 0.02 1 230 . 26 LYS HD3 H 1.64 0.02 1 231 . 26 LYS HE2 H 2.91 0.02 1 232 . 26 LYS HE3 H 2.91 0.02 1 233 . 26 LYS C C 178.1 0.08 1 234 . 26 LYS CA C 58.7 0.31 1 235 . 26 LYS CB C 32.5 0.31 1 236 . 26 LYS CG C 25.3 0.31 1 237 . 26 LYS CD C 29.0 0.31 1 238 . 26 LYS CE C 42.0 0.31 1 239 . 26 LYS N N 117.3 0.14 1 240 . 27 THR H H 7.66 0.015 1 241 . 27 THR HA H 4.03 0.015 1 242 . 27 THR HB H 3.92 0.02 1 243 . 27 THR HG2 H 1.14 0.02 1 244 . 27 THR C C 175.5 0.08 1 245 . 27 THR CA C 63.6 0.31 1 246 . 27 THR CB C 69.3 0.31 1 247 . 27 THR CG2 C 20.9 0.31 1 248 . 27 THR N N 109.1 0.14 1 249 . 28 HIS H H 6.87 0.015 1 250 . 28 HIS HA H 4.40 0.015 1 251 . 28 HIS HB2 H 2.32 0.02 1 252 . 28 HIS HB3 H 2.47 0.02 1 253 . 28 HIS HD2 H 6.00 0.02 1 254 . 28 HIS HE1 H 7.92 0.02 1 255 . 28 HIS C C 174.9 0.08 1 256 . 28 HIS CA C 55.7 0.31 1 257 . 28 HIS CB C 28.7 0.31 1 258 . 28 HIS CD2 C 127.2 0.31 1 259 . 28 HIS CE1 C 139.4 0.31 1 260 . 28 HIS N N 118.9 0.14 1 261 . 29 ARG H H 7.66 0.015 1 262 . 29 ARG HA H 4.27 0.015 1 263 . 29 ARG HB2 H 1.77 0.02 1 264 . 29 ARG HB3 H 1.77 0.02 1 265 . 29 ARG HG2 H 1.61 0.02 1 266 . 29 ARG HG3 H 1.61 0.02 1 267 . 29 ARG HD2 H 3.17 0.02 1 268 . 29 ARG HD3 H 3.17 0.02 1 269 . 29 ARG C C 176.5 0.08 1 270 . 29 ARG CA C 56.5 0.31 1 271 . 29 ARG CB C 30.7 0.31 1 272 . 29 ARG CG C 27.5 0.31 1 273 . 29 ARG CD C 43.7 0.31 1 274 . 29 ARG N N 120.2 0.14 1 275 . 30 GLY H H 8.31 0.015 5 276 . 30 GLY HA2 H 4.14 0.02 2 277 . 30 GLY HA3 H 3.93 0.02 2 278 . 30 GLY C C 173.6 0.08 5 279 . 30 GLY CA C 45.4 0.31 5 280 . 30 GLY N N 109.6 0.14 5 281 . 31 GLU H H 8.12 0.015 1 282 . 31 GLU HA H 4.27 0.015 1 283 . 31 GLU HB2 H 1.95 0.02 1 284 . 31 GLU HB3 H 1.77 0.02 1 285 . 31 GLU HG2 H 2.16 0.02 1 286 . 31 GLU HG3 H 2.16 0.02 1 287 . 31 GLU C C 175.9 0.08 1 288 . 31 GLU CA C 56.3 0.31 1 289 . 31 GLU CB C 30.5 0.31 1 290 . 31 GLU CG C 36.5 0.31 1 291 . 31 GLU N N 119.6 0.14 1 292 . 32 TYR H H 8.19 0.015 1 293 . 32 TYR HA H 4.45 0.015 1 294 . 32 TYR HB2 H 2.78 0.02 2 295 . 32 TYR HB3 H 2.70 0.02 2 296 . 32 TYR HD1 H 6.90 0.02 1 297 . 32 TYR HD2 H 6.90 0.02 1 298 . 32 TYR HE1 H 6.76 0.02 1 299 . 32 TYR HE2 H 6.76 0.02 1 300 . 32 TYR C C 175.6 0.08 1 301 . 32 TYR CA C 57.3 0.31 1 302 . 32 TYR CB C 37.6 0.31 1 303 . 32 TYR CD1 C 133.2 0.31 1 304 . 32 TYR CD2 C 133.2 0.31 1 305 . 32 TYR CE1 C 118.2 0.31 1 306 . 32 TYR CE2 C 118.2 0.31 1 307 . 32 TYR N N 122.0 0.14 1 308 . 33 THR H H 7.75 0.015 1 309 . 33 THR HA H 4.16 0.015 1 310 . 33 THR HB H 3.89 0.02 1 311 . 33 THR HG2 H 0.91 0.02 1 312 . 33 THR C C 174.0 0.08 1 313 . 33 THR CA C 62.0 0.31 1 314 . 33 THR CB C 69.7 0.31 1 315 . 33 THR CG2 C 21.8 0.31 1 316 . 33 THR N N 111.7 0.14 1 317 . 34 PHE H H 8.20 0.015 1 318 . 34 PHE HA H 4.59 0.015 1 319 . 34 PHE HB2 H 2.88 0.02 1 320 . 34 PHE HB3 H 2.70 0.02 1 321 . 34 PHE HD1 H 6.81 0.02 1 322 . 34 PHE HD2 H 6.81 0.02 1 323 . 34 PHE HE1 H 6.93 0.02 1 324 . 34 PHE HE2 H 6.93 0.02 1 325 . 34 PHE C C 174.4 0.08 1 326 . 34 PHE CA C 57.6 0.31 1 327 . 34 PHE CB C 39.1 0.31 1 328 . 34 PHE CD1 C 130.7 0.31 1 329 . 34 PHE CD2 C 130.7 0.31 1 330 . 34 PHE CE1 C 127.9 0.31 1 331 . 34 PHE CE2 C 127.9 0.31 1 332 . 34 PHE N N 122.6 0.14 1 333 . 35 VAL H H 8.26 0.015 1 334 . 35 VAL HA H 4.60 0.015 1 335 . 35 VAL HB H 1.84 0.02 1 336 . 35 VAL HG1 H 0.77 0.02 1 337 . 35 VAL HG2 H 0.77 0.02 1 338 . 35 VAL C C 174.9 0.08 1 339 . 35 VAL CA C 61.3 0.31 1 340 . 35 VAL CB C 34.5 0.31 1 341 . 35 VAL CG1 C 21.2 0.31 1 342 . 35 VAL CG2 C 21.2 0.31 1 343 . 35 VAL N N 124.4 0.14 1 344 . 36 CYS H H 9.01 0.015 1 345 . 36 CYS HA H 4.60 0.015 1 346 . 36 CYS HB2 H 3.30 0.02 1 347 . 36 CYS HB3 H 2.83 0.02 1 348 . 36 CYS C C 175.7 0.08 1 349 . 36 CYS CA C 61.0 0.31 1 350 . 36 CYS CB C 30.0 0.31 1 351 . 36 CYS N N 128.9 0.14 1 352 . 37 ASN H H 8.52 0.015 1 353 . 37 ASN HA H 4.79 0.015 1 354 . 37 ASN HB2 H 2.92 0.02 1 355 . 37 ASN HB3 H 2.87 0.02 1 356 . 37 ASN C C 175.4 0.08 1 357 . 37 ASN CA C 53.1 0.31 1 358 . 37 ASN CB C 38.8 0.31 1 359 . 37 ASN N N 127.1 0.14 1 360 . 38 GLN H H 8.50 0.015 1 361 . 38 GLN HA H 3.96 0.015 1 362 . 38 GLN HB2 H 1.97 0.02 1 363 . 38 GLN HB3 H 1.97 0.02 1 364 . 38 GLN HG2 H 2.31 0.02 1 365 . 38 GLN HG3 H 2.31 0.02 1 366 . 38 GLN C C 176.7 0.08 1 367 . 38 GLN CA C 56.6 0.31 1 368 . 38 GLN CB C 27.9 0.31 1 369 . 38 GLN CG C 33.7 0.31 1 370 . 38 GLN N N 123.4 0.14 1 371 . 39 GLU H H 8.88 0.015 1 372 . 39 GLU HA H 3.96 0.015 1 373 . 39 GLU HB2 H 1.87 0.02 1 374 . 39 GLU HB3 H 1.87 0.02 1 375 . 39 GLU HG2 H 2.22 0.02 1 376 . 39 GLU HG3 H 2.18 0.02 1 377 . 39 GLU C C 177.5 0.08 1 378 . 39 GLU CA C 58.4 0.31 1 379 . 39 GLU CB C 29.1 0.31 1 380 . 39 GLU CG C 35.9 0.31 1 381 . 39 GLU N N 129.5 0.14 1 382 . 40 GLY H H 8.87 0.015 5 383 . 40 GLY HA2 H 4.10 0.02 2 384 . 40 GLY HA3 H 3.71 0.02 2 385 . 40 GLY C C 173.4 0.08 5 386 . 40 GLY CA C 45.4 0.31 5 387 . 40 GLY N N 113.4 0.14 5 388 . 41 CYS H H 7.80 0.015 1 389 . 41 CYS HA H 4.58 0.015 1 390 . 41 CYS HB2 H 3.05 0.02 1 391 . 41 CYS HB3 H 2.68 0.02 1 392 . 41 CYS C C 175.7 0.08 1 393 . 41 CYS CA C 60.4 0.31 1 394 . 41 CYS CB C 28.9 0.31 1 395 . 41 CYS N N 122.6 0.14 1 396 . 42 GLY H H 8.05 0.015 1 397 . 42 GLY HA2 H 3.92 0.015 1 398 . 42 GLY C C 174.4 0.08 1 399 . 42 GLY CA C 46.0 0.31 1 400 . 42 GLY N N 105.6 0.14 1 401 . 43 LYS H H 7.94 0.015 1 402 . 43 LYS HA H 3.91 0.015 1 403 . 43 LYS HB2 H 1.27 0.02 1 404 . 43 LYS HB3 H 1.27 0.02 1 405 . 43 LYS HG2 H 1.45 0.02 1 406 . 43 LYS HG3 H 1.51 0.02 1 407 . 43 LYS HD2 H 1.45 0.02 1 408 . 43 LYS HD3 H 1.45 0.02 1 409 . 43 LYS HE2 H 2.96 0.02 1 410 . 43 LYS HE3 H 2.96 0.02 1 411 . 43 LYS C C 173.3 0.08 1 412 . 43 LYS CA C 57.8 0.31 1 413 . 43 LYS CB C 33.6 0.31 1 414 . 43 LYS CG C 25.6 0.31 1 415 . 43 LYS CD C 29.0 0.31 1 416 . 43 LYS CE C 42.0 0.31 1 417 . 43 LYS N N 121.9 0.14 1 418 . 44 ALA H H 7.49 0.015 1 419 . 44 ALA HA H 5.05 0.015 1 420 . 44 ALA HB H 1.08 0.02 1 421 . 44 ALA C C 176.1 0.08 1 422 . 44 ALA CA C 50.3 0.31 1 423 . 44 ALA CB C 22.9 0.31 1 424 . 44 ALA N N 122.2 0.14 1 425 . 45 PHE H H 8.87 0.015 1 426 . 45 PHE HA H 4.79 0.015 1 427 . 45 PHE HB2 H 3.38 0.02 1 428 . 45 PHE HB3 H 2.71 0.02 1 429 . 45 PHE HD1 H 6.78 0.02 1 430 . 45 PHE HD2 H 6.78 0.02 1 431 . 45 PHE HE1 H 7.06 0.02 1 432 . 45 PHE HE2 H 7.06 0.02 1 433 . 45 PHE C C 175.4 0.08 1 434 . 45 PHE CA C 57.7 0.31 1 435 . 45 PHE CB C 43.5 0.31 1 436 . 45 PHE CD1 C 131.3 0.31 1 437 . 45 PHE CD2 C 131.3 0.31 1 438 . 45 PHE CE1 C 132.9 0.31 1 439 . 45 PHE CE2 C 132.9 0.31 1 440 . 45 PHE N N 117.2 0.14 1 441 . 46 LEU H H 9.21 0.015 1 442 . 46 LEU HA H 4.45 0.015 1 443 . 46 LEU HB2 H 1.77 0.02 1 444 . 46 LEU HB3 H 1.66 0.02 1 445 . 46 LEU HG H 1.56 0.02 1 446 . 46 LEU HD1 H 0.86 0.02 1 447 . 46 LEU HD2 H 0.56 0.02 1 448 . 46 LEU C C 178.0 0.08 1 449 . 46 LEU CA C 56.5 0.31 1 450 . 46 LEU CB C 43.8 0.31 1 451 . 46 LEU CG C 27.5 0.31 1 452 . 46 LEU CD1 C 23.4 0.31 1 453 . 46 LEU CD2 C 23.7 0.31 1 454 . 46 LEU N N 119.5 0.14 1 455 . 47 THR H H 7.20 0.015 1 456 . 47 THR HA H 4.49 0.015 1 457 . 47 THR HB H 4.37 0.02 1 458 . 47 THR HG2 H 1.19 0.02 1 459 . 47 THR C C 173.4 0.08 1 460 . 47 THR CA C 58.4 0.31 1 461 . 47 THR CB C 73.2 0.31 1 462 . 47 THR CG2 C 21.5 0.31 1 463 . 47 THR N N 103.4 0.14 1 464 . 48 SER H H 7.97 0.015 1 465 . 48 SER HA H 4.69 0.015 1 466 . 48 SER HB2 H 3.81 0.02 1 467 . 48 SER HB3 H 3.81 0.02 1 468 . 48 SER C C 177.2 0.08 1 469 . 48 SER CA C 60.1 0.31 1 470 . 48 SER CB C 62.0 0.31 1 471 . 48 SER N N 116.4 0.14 1 472 . 49 TYR H H 7.76 0.015 1 473 . 49 TYR HA H 4.01 0.015 1 474 . 49 TYR HB2 H 3.05 0.02 1 475 . 49 TYR HB3 H 2.86 0.02 1 476 . 49 TYR HD1 H 6.99 0.02 1 477 . 49 TYR HD2 H 6.99 0.02 1 478 . 49 TYR HE1 H 6.72 0.02 1 479 . 49 TYR HE2 H 6.72 0.02 1 480 . 49 TYR C C 178.1 0.08 1 481 . 49 TYR CA C 61.1 0.31 1 482 . 49 TYR CB C 37.7 0.31 1 483 . 49 TYR CD1 C 133.2 0.31 1 484 . 49 TYR CD2 C 133.2 0.31 1 485 . 49 TYR CE1 C 118.2 0.31 1 486 . 49 TYR CE2 C 118.2 0.31 1 487 . 49 TYR N N 121.9 0.14 1 488 . 50 SER H H 7.85 0.015 1 489 . 50 SER HA H 3.96 0.015 1 490 . 50 SER HB2 H 3.70 0.02 2 491 . 50 SER HB3 H 3.65 0.02 2 492 . 50 SER C C 176.8 0.08 1 493 . 50 SER CA C 61.7 0.31 1 494 . 50 SER CB C 62.0 0.31 1 495 . 50 SER N N 116.8 0.14 1 496 . 51 LEU H H 7.07 0.015 1 497 . 51 LEU HA H 3.20 0.015 1 498 . 51 LEU HB2 H 1.87 0.02 1 499 . 51 LEU HB3 H 1.32 0.02 1 500 . 51 LEU HG H 1.52 0.02 1 501 . 51 LEU HD1 H 0.94 0.02 1 502 . 51 LEU HD2 H 0.94 0.02 1 503 . 51 LEU C C 176.6 0.08 1 504 . 51 LEU CA C 57.9 0.31 1 505 . 51 LEU CB C 40.8 0.31 1 506 . 51 LEU CG C 27.8 0.31 1 507 . 51 LEU CD1 C 23.1 0.31 1 508 . 51 LEU CD2 C 23.1 0.31 1 509 . 51 LEU N N 123.3 0.14 1 510 . 52 ARG H H 7.98 0.015 1 511 . 52 ARG HA H 3.81 0.015 1 512 . 52 ARG HB2 H 1.86 0.02 1 513 . 52 ARG HB3 H 1.79 0.02 1 514 . 52 ARG HG2 H 1.45 0.02 1 515 . 52 ARG HG3 H 1.45 0.02 1 516 . 52 ARG HD2 H 3.07 0.02 1 517 . 52 ARG HD3 H 3.07 0.02 1 518 . 52 ARG C C 178.9 0.08 1 519 . 52 ARG CA C 59.4 0.31 1 520 . 52 ARG CB C 29.6 0.31 1 521 . 52 ARG CG C 27.4 0.31 1 522 . 52 ARG CD C 43.7 0.31 1 523 . 52 ARG N N 118.6 0.14 1 524 . 53 ILE H H 7.40 0.015 1 525 . 53 ILE HA H 3.54 0.015 1 526 . 53 ILE HB H 1.65 0.02 1 527 . 53 ILE HG12 H 1.13 0.02 1 528 . 53 ILE HG13 H 0.92 0.02 1 529 . 53 ILE HG2 H 0.72 0.02 1 530 . 53 ILE HD1 H 0.50 0.02 1 531 . 53 ILE C C 178.4 0.08 1 532 . 53 ILE CA C 63.2 0.31 1 533 . 53 ILE CB C 37.2 0.31 1 534 . 53 ILE CG1 C 27.8 0.31 1 535 . 53 ILE CG2 C 17.4 0.31 1 536 . 53 ILE CD1 C 11.2 0.31 1 537 . 53 ILE N N 117.2 0.14 1 538 . 54 HIS H H 7.34 0.015 1 539 . 54 HIS HA H 4.14 0.015 1 540 . 54 HIS HB2 H 2.99 0.02 1 541 . 54 HIS HB3 H 2.68 0.02 1 542 . 54 HIS HE1 H 7.88 0.02 1 543 . 54 HIS C C 176.8 0.08 1 544 . 54 HIS CA C 59.3 0.31 1 545 . 54 HIS CB C 28.5 0.31 1 546 . 54 HIS CE1 C 139.7 0.31 1 547 . 54 HIS N N 120.2 0.14 1 548 . 55 VAL H H 8.21 0.015 1 549 . 55 VAL HA H 3.43 0.015 1 550 . 55 VAL HB H 2.29 0.02 1 551 . 55 VAL HG1 H 1.23 0.02 1 552 . 55 VAL HG2 H 1.17 0.02 1 553 . 55 VAL C C 177.4 0.08 1 554 . 55 VAL CA C 65.9 0.31 1 555 . 55 VAL CB C 31.6 0.31 1 556 . 55 VAL CG1 C 22.1 0.31 1 557 . 55 VAL CG2 C 22.1 0.31 1 558 . 55 VAL N N 113.2 0.14 1 559 . 56 ARG H H 6.94 0.015 1 560 . 56 ARG HA H 4.02 0.015 1 561 . 56 ARG HB2 H 1.77 0.02 1 562 . 56 ARG HB3 H 1.77 0.02 1 563 . 56 ARG HG2 H 1.60 0.02 1 564 . 56 ARG HG3 H 1.60 0.02 1 565 . 56 ARG HD2 H 3.14 0.02 1 566 . 56 ARG HD3 H 3.14 0.02 1 567 . 56 ARG C C 178.5 0.08 1 568 . 56 ARG CA C 58.3 0.31 1 569 . 56 ARG CB C 30.1 0.31 1 570 . 56 ARG CG C 27.5 0.31 1 571 . 56 ARG CD C 43.7 0.31 1 572 . 56 ARG N N 119.0 0.14 1 573 . 57 VAL H H 7.96 0.015 1 574 . 57 VAL HA H 3.83 0.015 1 575 . 57 VAL HB H 1.93 0.02 1 576 . 57 VAL HG1 H 0.61 0.02 1 577 . 57 VAL HG2 H 0.46 0.02 1 578 . 57 VAL C C 177.3 0.08 1 579 . 57 VAL CA C 64.0 0.31 1 580 . 57 VAL CB C 31.1 0.31 1 581 . 57 VAL CG1 C 20.0 0.31 1 582 . 57 VAL CG2 C 19.9 0.31 1 583 . 57 VAL N N 116.1 0.14 1 584 . 58 HIS H H 7.27 0.015 1 585 . 58 HIS HA H 4.72 0.015 1 586 . 58 HIS HB2 H 3.22 0.02 1 587 . 58 HIS HB3 H 3.19 0.02 1 588 . 58 HIS HD2 H 6.64 0.02 1 589 . 58 HIS HE1 H 8.03 0.02 1 590 . 58 HIS C C 175.6 0.08 1 591 . 58 HIS CA C 55.3 0.31 1 592 . 58 HIS CB C 28.5 0.31 1 593 . 58 HIS CD2 C 128.2 0.31 1 594 . 58 HIS CE1 C 140.1 0.31 1 595 . 58 HIS N N 116.9 0.14 1 596 . 59 THR H H 7.65 0.015 1 597 . 59 THR HA H 4.28 0.015 1 598 . 59 THR HB H 4.14 0.02 1 599 . 59 THR HG2 H 1.16 0.02 1 600 . 59 THR C C 174.4 0.08 1 601 . 59 THR CA C 62.4 0.31 1 602 . 59 THR CB C 69.5 0.31 1 603 . 59 THR CG2 C 21.8 0.31 1 604 . 59 THR N N 113.2 0.14 1 605 . 60 LYS H H 8.01 0.015 1 606 . 60 LYS HA H 4.22 0.015 1 607 . 60 LYS HB2 H 1.79 0.02 1 608 . 60 LYS HB3 H 1.72 0.02 1 609 . 60 LYS HG2 H 1.39 0.02 1 610 . 60 LYS HG3 H 1.35 0.02 1 611 . 60 LYS HD2 H 1.62 0.02 1 612 . 60 LYS HD3 H 1.62 0.02 1 613 . 60 LYS HE2 H 2.93 0.02 1 614 . 60 LYS HE3 H 2.93 0.02 1 615 . 60 LYS C C 176.4 0.08 1 616 . 60 LYS CA C 56.6 0.31 1 617 . 60 LYS CB C 32.8 0.31 1 618 . 60 LYS CG C 25.2 0.31 1 619 . 60 LYS CD C 29.0 0.31 1 620 . 60 LYS CE C 42.0 0.31 1 621 . 60 LYS N N 122.5 0.14 1 622 . 61 GLU H H 8.15 0.015 5 623 . 61 GLU HA H 4.22 0.015 5 624 . 61 GLU HB2 H 1.92 0.02 1 625 . 61 GLU HB3 H 1.92 0.02 1 626 . 61 GLU HG2 H 2.21 0.02 1 627 . 61 GLU HG3 H 2.21 0.02 1 628 . 61 GLU C C 176.4 0.08 5 629 . 61 GLU CA C 56.9 0.31 5 630 . 61 GLU CB C 30.5 0.31 5 631 . 61 GLU CG C 36.5 0.31 1 632 . 61 GLU N N 120.9 0.14 5 633 . 62 LYS H H 8.17 0.015 5 634 . 62 LYS HA H 4.52 0.015 5 635 . 62 LYS HB2 H 1.81 0.02 1 636 . 62 LYS HB3 H 1.68 0.02 1 637 . 62 LYS HG2 H 1.42 0.02 1 638 . 62 LYS HG3 H 1.42 0.02 1 639 . 62 LYS HD2 H 1.61 0.02 1 640 . 62 LYS HD3 H 1.61 0.02 1 641 . 62 LYS HE2 H 2.92 0.02 1 642 . 62 LYS HE3 H 2.92 0.02 1 643 . 62 LYS C C 176.2 0.08 5 644 . 62 LYS CA C 53.6 0.31 5 645 . 62 LYS CB C 30.5 0.31 5 646 . 62 LYS CG C 24.9 0.31 1 647 . 62 LYS CD C 29.0 0.31 1 648 . 62 LYS CE C 42.0 0.31 1 649 . 62 LYS N N 120.9 0.14 5 650 . 63 PRO C C 176.2 0.08 1 651 . 63 PRO CA C 63.3 0.31 1 652 . 63 PRO CB C 32.5 0.31 1 653 . 64 PHE H H 8.04 0.015 1 654 . 64 PHE HA H 4.58 0.015 1 655 . 64 PHE HB2 H 2.95 0.02 1 656 . 64 PHE HB3 H 2.88 0.02 1 657 . 64 PHE HD1 H 7.07 0.02 1 658 . 64 PHE HD2 H 7.07 0.02 1 659 . 64 PHE HE1 H 7.20 0.02 1 660 . 64 PHE HE2 H 7.20 0.02 1 661 . 64 PHE C C 174.8 0.08 1 662 . 64 PHE CA C 57.3 0.31 1 663 . 64 PHE CB C 38.8 0.31 1 664 . 64 PHE CD1 C 127.2 0.31 1 665 . 64 PHE CD2 C 127.2 0.31 1 666 . 64 PHE CE1 C 121.3 0.31 1 667 . 64 PHE CE2 C 121.3 0.31 1 668 . 64 PHE N N 118.5 0.14 1 669 . 65 GLU H H 8.44 0.015 1 670 . 65 GLU HA H 4.58 0.015 1 671 . 65 GLU HB2 H 1.97 0.02 1 672 . 65 GLU HB3 H 1.85 0.02 1 673 . 65 GLU HG2 H 2.08 0.02 1 674 . 65 GLU HG3 H 2.08 0.02 1 675 . 65 GLU C C 175.2 0.08 1 676 . 65 GLU CA C 55.4 0.31 1 677 . 65 GLU CB C 31.8 0.31 1 678 . 65 GLU CG C 36.8 0.31 1 679 . 65 GLU N N 124.7 0.14 1 680 . 66 CYS H H 8.64 0.015 1 681 . 66 CYS HA H 4.22 0.015 1 682 . 66 CYS HB2 H 3.18 0.02 1 683 . 66 CYS HB3 H 2.78 0.02 1 684 . 66 CYS C C 175.2 0.08 1 685 . 66 CYS CA C 61.7 0.31 1 686 . 66 CYS CB C 29.8 0.31 1 687 . 66 CYS N N 125.7 0.14 1 688 . 67 ASP H H 8.36 0.015 1 689 . 67 ASP HA H 4.63 0.015 1 690 . 67 ASP HB2 H 2.78 0.02 1 691 . 67 ASP HB3 H 2.63 0.02 1 692 . 67 ASP C C 176.4 0.08 1 693 . 67 ASP CA C 53.7 0.31 1 694 . 67 ASP CB C 40.6 0.31 1 695 . 67 ASP N N 127.2 0.14 1 696 . 68 VAL H H 8.51 0.015 1 697 . 68 VAL HA H 3.63 0.015 1 698 . 68 VAL HB H 1.61 0.02 1 699 . 68 VAL HG1 H 0.47 0.02 1 700 . 68 VAL HG2 H 0.47 0.02 1 701 . 68 VAL C C 176.7 0.08 1 702 . 68 VAL CA C 64.1 0.31 1 703 . 68 VAL CB C 31.5 0.31 1 704 . 68 VAL CG1 C 20.9 0.31 1 705 . 68 VAL CG2 C 20.9 0.31 1 706 . 68 VAL N N 125.7 0.14 1 707 . 69 GLN H H 8.65 0.015 1 708 . 69 GLN HA H 3.95 0.015 1 709 . 69 GLN HB2 H 1.97 0.02 1 710 . 69 GLN HB3 H 1.90 0.02 1 711 . 69 GLN HG2 H 2.31 0.02 1 712 . 69 GLN HG3 H 2.21 0.02 1 713 . 69 GLN C C 176.9 0.08 1 714 . 69 GLN CA C 57.9 0.31 1 715 . 69 GLN CB C 28.1 0.31 1 716 . 69 GLN CG C 36.5 0.31 1 717 . 69 GLN N N 130.1 0.14 1 718 . 70 GLY H H 9.05 0.015 5 719 . 70 GLY HA2 H 3.66 0.02 1 720 . 70 GLY C C 173.3 0.08 5 721 . 70 GLY CA C 45.2 0.31 5 722 . 70 GLY N N 114.4 0.14 5 723 . 71 CYS H H 8.10 0.015 1 724 . 71 CYS HA H 4.43 0.015 1 725 . 71 CYS HB2 H 3.22 0.02 1 726 . 71 CYS HB3 H 2.65 0.02 1 727 . 71 CYS C C 175.3 0.08 1 728 . 71 CYS CA C 60.9 0.31 1 729 . 71 CYS CB C 29.6 0.31 1 730 . 71 CYS N N 124.1 0.14 1 731 . 72 GLU C C 176.0 0.08 1 732 . 72 GLU CA C 56.3 0.31 1 733 . 72 GLU CB C 28.8 0.31 1 734 . 73 LYS H H 7.91 0.015 1 735 . 73 LYS HA H 4.01 0.015 1 736 . 73 LYS HB2 H 1.40 0.02 1 737 . 73 LYS HB3 H 1.51 0.02 1 738 . 73 LYS HG2 H 1.39 0.02 1 739 . 73 LYS HG3 H 1.39 0.02 1 740 . 73 LYS HD2 H 1.47 0.02 1 741 . 73 LYS HD3 H 1.47 0.02 1 742 . 73 LYS HE2 H 2.96 0.02 1 743 . 73 LYS HE3 H 2.96 0.02 1 744 . 73 LYS C C 174.1 0.08 1 745 . 73 LYS CA C 56.7 0.31 1 746 . 73 LYS CB C 33.4 0.31 1 747 . 73 LYS CG C 25.2 0.31 1 748 . 73 LYS CD C 29.0 0.31 1 749 . 73 LYS CE C 42.0 0.31 1 750 . 73 LYS N N 121.2 0.14 1 751 . 74 ALA H H 7.42 0.015 1 752 . 74 ALA HA H 4.89 0.015 1 753 . 74 ALA HB H 1.17 0.02 1 754 . 74 ALA C C 175.5 0.08 1 755 . 74 ALA CA C 50.5 0.31 1 756 . 74 ALA CB C 23.1 0.31 1 757 . 74 ALA N N 121.9 0.14 1 758 . 75 PHE H H 8.59 0.015 1 759 . 75 PHE HA H 4.79 0.015 1 760 . 75 PHE HB2 H 3.46 0.02 1 761 . 75 PHE HB3 H 2.61 0.02 1 762 . 75 PHE HD1 H 6.80 0.02 1 763 . 75 PHE HD2 H 6.80 0.02 1 764 . 75 PHE HE1 H 7.07 0.02 1 765 . 75 PHE HE2 H 7.07 0.02 1 766 . 75 PHE C C 175.2 0.08 1 767 . 75 PHE CA C 57.0 0.31 1 768 . 75 PHE CB C 45.0 0.31 1 769 . 75 PHE CD1 C 131.0 0.31 1 770 . 75 PHE CD2 C 131.0 0.31 1 771 . 75 PHE CE1 C 132.2 0.31 1 772 . 75 PHE CE2 C 132.2 0.31 1 773 . 75 PHE N N 115.7 0.14 1 774 . 76 ASN C C 175.2 0.08 1 775 . 76 ASN CA C 54.3 0.31 1 776 . 76 ASN CB C 39.1 0.31 1 777 . 77 THR H H 7.22 0.015 1 778 . 77 THR HA H 4.53 0.015 1 779 . 77 THR HB H 4.37 0.02 1 780 . 77 THR HG2 H 1.19 0.02 1 781 . 77 THR C C 173.4 0.08 1 782 . 77 THR CA C 58.9 0.31 1 783 . 77 THR CB C 73.0 0.31 1 784 . 77 THR CG2 C 21.5 0.31 1 785 . 77 THR N N 106.2 0.14 1 786 . 78 LEU H H 8.03 0.015 1 787 . 78 LEU HA H 3.28 0.015 1 788 . 78 LEU HB2 H 1.29 0.02 1 789 . 78 LEU HB3 H 0.91 0.02 1 790 . 78 LEU HG H 1.13 0.02 1 791 . 78 LEU HD1 H 0.80 0.02 1 792 . 78 LEU HD2 H 0.80 0.02 1 793 . 78 LEU C C 178.5 0.08 1 794 . 78 LEU CA C 56.8 0.31 1 795 . 78 LEU CB C 41.2 0.31 1 796 . 78 LEU CG C 27.1 0.31 1 797 . 78 LEU CD1 C 25.3 0.31 1 798 . 78 LEU CD2 C 25.3 0.31 1 799 . 78 LEU N N 124.0 0.14 1 800 . 79 TYR H H 7.85 0.015 1 801 . 79 TYR HA H 3.96 0.015 1 802 . 79 TYR HB2 H 3.02 0.02 1 803 . 79 TYR HB3 H 2.85 0.02 1 804 . 79 TYR HD1 H 6.99 0.02 1 805 . 79 TYR HD2 H 6.99 0.02 1 806 . 79 TYR HE1 H 6.76 0.02 1 807 . 79 TYR HE2 H 6.76 0.02 1 808 . 79 TYR C C 178.4 0.08 1 809 . 79 TYR CA C 60.9 0.31 1 810 . 79 TYR CB C 37.7 0.31 1 811 . 79 TYR CD1 C 133.5 0.31 1 812 . 79 TYR CD2 C 133.5 0.31 1 813 . 79 TYR CE1 C 118.5 0.31 1 814 . 79 TYR CE2 C 118.5 0.31 1 815 . 79 TYR N N 116.8 0.14 1 816 . 80 ARG H H 7.38 0.015 1 817 . 80 ARG HA H 4.01 0.015 1 818 . 80 ARG HB2 H 1.77 0.02 1 819 . 80 ARG HB3 H 1.77 0.02 1 820 . 80 ARG HG2 H 1.63 0.02 1 821 . 80 ARG HG3 H 1.63 0.02 1 822 . 80 ARG HD2 H 3.15 0.02 1 823 . 80 ARG HD3 H 3.15 0.02 1 824 . 80 ARG C C 178.6 0.08 1 825 . 80 ARG CA C 58.7 0.31 1 826 . 80 ARG CB C 29.8 0.31 1 827 . 80 ARG CG C 27.5 0.31 1 828 . 80 ARG N N 118.9 0.14 1 829 . 81 LEU H H 7.21 0.015 1 830 . 81 LEU HA H 3.48 0.015 1 831 . 81 LEU HB2 H 2.01 0.02 1 832 . 81 LEU HB3 H 1.45 0.02 1 833 . 81 LEU HG H 1.64 0.02 1 834 . 81 LEU HD1 H 1.22 0.02 1 835 . 81 LEU HD2 H 1.01 0.02 1 836 . 81 LEU C C 178.0 0.08 1 837 . 81 LEU CA C 58.2 0.31 1 838 . 81 LEU CB C 40.2 0.31 1 839 . 81 LEU CG C 27.5 0.31 1 840 . 81 LEU CD1 C 21.8 0.31 2 841 . 81 LEU CD2 C 21.5 0.31 2 842 . 81 LEU N N 121.6 0.14 1 843 . 82 LYS H H 8.53 0.015 1 844 . 82 LYS HA H 3.97 0.015 1 845 . 82 LYS HB2 H 1.72 0.02 1 846 . 82 LYS HB3 H 1.67 0.02 1 847 . 82 LYS HG2 H 1.45 0.02 1 848 . 82 LYS HG3 H 1.45 0.02 1 849 . 82 LYS HD2 H 1.56 0.02 1 850 . 82 LYS HD3 H 1.56 0.02 1 851 . 82 LYS HE2 H 2.86 0.02 1 852 . 82 LYS HE3 H 2.86 0.02 1 853 . 82 LYS C C 179.5 0.08 1 854 . 82 LYS CA C 59.0 0.31 1 855 . 82 LYS CB C 31.5 0.31 1 856 . 82 LYS CG C 25.2 0.31 1 857 . 82 LYS CD C 29.0 0.31 1 858 . 82 LYS CE C 42.0 0.31 1 859 . 82 LYS N N 118.9 0.14 1 860 . 83 ALA H H 7.58 0.015 1 861 . 83 ALA HA H 3.88 0.015 1 862 . 83 ALA HB H 1.22 0.02 1 863 . 83 ALA C C 180.1 0.08 1 864 . 83 ALA CA C 54.8 0.31 1 865 . 83 ALA CB C 17.9 0.31 1 866 . 83 ALA N N 120.9 0.14 1 867 . 84 HIS H H 7.22 0.015 1 868 . 84 HIS HA H 4.11 0.015 1 869 . 84 HIS HB2 H 3.09 0.02 1 870 . 84 HIS HB3 H 2.70 0.02 1 871 . 84 HIS HE1 H 7.89 0.02 1 872 . 84 HIS C C 176.7 0.08 1 873 . 84 HIS CA C 58.8 0.31 1 874 . 84 HIS CB C 28.8 0.31 1 875 . 84 HIS N N 118.2 0.14 1 876 . 85 GLN H H 8.49 0.015 1 877 . 85 GLN HA H 3.66 0.015 1 878 . 85 GLN HB2 H 2.24 0.02 1 879 . 85 GLN HB3 H 2.06 0.02 1 880 . 85 GLN HG2 H 2.86 0.02 1 881 . 85 GLN HG3 H 2.65 0.02 1 882 . 85 GLN C C 178.3 0.08 1 883 . 85 GLN CA C 59.5 0.31 1 884 . 85 GLN CB C 28.4 0.31 1 885 . 85 GLN CG C 36.2 0.31 1 886 . 85 GLN N N 116.9 0.14 1 887 . 86 ARG H H 7.20 0.015 1 888 . 86 ARG HA H 4.06 0.015 1 889 . 86 ARG HB2 H 1.77 0.02 1 890 . 86 ARG HB3 H 1.77 0.02 1 891 . 86 ARG HG2 H 1.58 0.02 1 892 . 86 ARG HG3 H 1.58 0.02 1 893 . 86 ARG HD2 H 3.10 0.02 1 894 . 86 ARG HD3 H 3.10 0.02 1 895 . 86 ARG C C 178.3 0.08 1 896 . 86 ARG CA C 59.5 0.31 1 897 . 86 ARG CB C 30.0 0.31 1 898 . 86 ARG CG C 27.5 0.31 1 899 . 86 ARG CD C 43.7 0.31 1 900 . 86 ARG N N 117.8 0.14 1 901 . 87 LEU H H 7.61 0.015 1 902 . 87 LEU HA H 4.04 0.015 1 903 . 87 LEU HB2 H 1.43 0.02 1 904 . 87 LEU HB3 H 1.25 0.02 1 905 . 87 LEU HG H 1.59 0.02 1 906 . 87 LEU HD1 H 0.80 0.02 1 907 . 87 LEU HD2 H 0.72 0.02 1 908 . 87 LEU C C 178.7 0.08 1 909 . 87 LEU CA C 56.2 0.31 1 910 . 87 LEU CB C 41.1 0.31 1 911 . 87 LEU CG C 27.1 0.31 1 912 . 87 LEU CD1 C 23.4 0.31 1 913 . 87 LEU CD2 C 22.8 0.31 1 914 . 87 LEU N N 117.8 0.14 1 915 . 88 HIS H H 7.23 0.015 1 916 . 88 HIS HA H 4.63 0.015 1 917 . 88 HIS HB2 H 3.23 0.02 1 918 . 88 HIS HB3 H 3.20 0.02 1 919 . 88 HIS HD2 H 6.52 0.02 1 920 . 88 HIS HE1 H 8.02 0.02 1 921 . 88 HIS C C 175.5 0.08 1 922 . 88 HIS CA C 56.2 0.31 1 923 . 88 HIS CB C 28.9 0.31 1 924 . 88 HIS CD2 C 128.2 0.31 1 925 . 88 HIS CE1 C 140.0 0.31 1 926 . 88 HIS N N 115.8 0.14 1 927 . 89 THR H H 7.75 0.015 5 928 . 89 THR HA H 4.27 0.015 5 929 . 89 THR HB H 4.20 0.02 1 930 . 89 THR HG2 H 1.16 0.02 1 931 . 89 THR C C 175.2 0.08 5 932 . 89 THR CA C 62.7 0.31 5 933 . 89 THR CB C 69.6 0.31 5 934 . 89 THR CG2 C 21.8 0.31 1 935 . 89 THR N N 113.0 0.14 5 936 . 90 GLY H H 8.29 0.015 5 937 . 90 GLY HA2 H 3.94 0.02 1 938 . 90 GLY C C 173.8 0.08 5 939 . 90 GLY CA C 45.4 0.31 5 940 . 90 GLY N N 111.6 0.14 5 941 . 91 LYS H H 8.04 0.015 1 942 . 91 LYS HA H 4.25 0.015 1 943 . 91 LYS HB2 H 1.79 0.02 1 944 . 91 LYS HB3 H 1.71 0.02 1 945 . 91 LYS HG2 H 1.38 0.02 1 946 . 91 LYS HG3 H 1.38 0.02 1 947 . 91 LYS HD2 H 1.62 0.02 1 948 . 91 LYS HD3 H 1.62 0.02 1 949 . 91 LYS HE2 H 2.94 0.02 1 950 . 91 LYS HE3 H 2.94 0.02 1 951 . 91 LYS C C 175.9 0.08 1 952 . 91 LYS CA C 55.9 0.31 1 953 . 91 LYS CB C 33.2 0.31 1 954 . 91 LYS CG C 24.9 0.31 1 955 . 91 LYS CD C 29.0 0.31 1 956 . 91 LYS CE C 42.1 0.31 1 957 . 91 LYS N N 120.5 0.14 1 958 . 92 THR H H 7.57 0.015 1 959 . 92 THR HA H 4.49 0.015 1 960 . 92 THR HB H 4.03 0.02 1 961 . 92 THR HG2 H 0.93 0.02 1 962 . 92 THR C C 173.0 0.08 1 963 . 92 THR CA C 60.5 0.31 1 964 . 92 THR CB C 71.0 0.31 1 965 . 92 THR CG2 C 21.8 0.31 1 966 . 92 THR N N 112.3 0.14 1 967 . 93 PHE H H 8.84 0.015 1 968 . 93 PHE HA H 4.66 0.015 1 969 . 93 PHE HB2 H 3.07 0.02 1 970 . 93 PHE HB3 H 2.75 0.02 1 971 . 93 PHE HD1 H 7.03 0.02 1 972 . 93 PHE HD2 H 7.03 0.02 1 973 . 93 PHE HE1 H 6.86 0.02 1 974 . 93 PHE HE2 H 6.86 0.02 1 975 . 93 PHE C C 175.1 0.08 1 976 . 93 PHE CA C 57.0 0.31 1 977 . 93 PHE CB C 40.4 0.31 1 978 . 93 PHE CD1 C 127.2 0.31 1 979 . 93 PHE CD2 C 127.2 0.31 1 980 . 93 PHE CE1 C 133.9 0.31 1 981 . 93 PHE CE2 C 133.9 0.31 1 982 . 93 PHE N N 121.1 0.14 1 983 . 94 ASN H H 8.80 0.015 1 984 . 94 ASN HA H 5.00 0.015 1 985 . 94 ASN HB2 H 2.67 0.02 1 986 . 94 ASN HB3 H 2.62 0.02 1 987 . 94 ASN C C 173.9 0.08 1 988 . 94 ASN CA C 53.1 0.31 1 989 . 94 ASN CB C 39.7 0.31 1 990 . 94 ASN N N 123.1 0.14 1 991 . 95 CYS H H 8.37 0.015 1 992 . 95 CYS HA H 4.35 0.015 1 993 . 95 CYS HB2 H 3.17 0.02 1 994 . 95 CYS HB3 H 2.75 0.02 1 995 . 95 CYS C C 176.1 0.08 1 996 . 95 CYS CA C 61.4 0.31 1 997 . 95 CYS CB C 30.3 0.31 1 998 . 95 CYS N N 123.9 0.14 1 999 . 96 GLU H H 8.52 0.015 1 1000 . 96 GLU HA H 4.50 0.015 1 1001 . 96 GLU HB2 H 1.87 0.02 1 1002 . 96 GLU HB3 H 1.87 0.02 1 1003 . 96 GLU HG2 H 2.32 0.02 1 1004 . 96 GLU HG3 H 2.32 0.02 1 1005 . 96 GLU C C 176.7 0.08 1 1006 . 96 GLU CA C 56.1 0.31 1 1007 . 96 GLU CB C 30.5 0.31 1 1008 . 96 GLU CG C 36.8 0.31 1 1009 . 96 GLU N N 127.1 0.14 1 1010 . 97 SER H H 8.84 0.015 1 1011 . 97 SER HA H 4.08 0.015 1 1012 . 97 SER HB2 H 3.25 0.02 1 1013 . 97 SER HB3 H 3.20 0.02 1 1014 . 97 SER C C 175.5 0.08 1 1015 . 97 SER CA C 60.1 0.31 1 1016 . 97 SER CB C 62.9 0.31 1 1017 . 97 SER N N 121.1 0.14 1 1018 . 98 GLN H H 8.62 0.015 1 1019 . 98 GLN HA H 3.95 0.015 1 1020 . 98 GLN HB2 H 1.97 0.02 1 1021 . 98 GLN HB3 H 1.90 0.02 1 1022 . 98 GLN HG2 H 2.31 0.02 1 1023 . 98 GLN HG3 H 2.21 0.02 1 1024 . 98 GLN C C 177.5 0.08 1 1025 . 98 GLN CA C 58.1 0.31 1 1026 . 98 GLN CB C 28.2 0.31 1 1027 . 98 GLN CG C 36.5 0.31 1 1028 . 98 GLN N N 127.7 0.14 1 1029 . 99 GLY H H 8.95 0.015 5 1030 . 99 GLY HA2 H 4.12 0.02 2 1031 . 99 GLY HA3 H 3.67 0.02 2 1032 . 99 GLY C C 173.1 0.08 5 1033 . 99 GLY CA C 45.6 0.31 5 1034 . 99 GLY N N 114.4 0.14 5 1035 . 100 CYS H H 7.92 0.015 1 1036 . 100 CYS HA H 4.53 0.015 1 1037 . 100 CYS HB2 H 3.12 0.02 1 1038 . 100 CYS HB3 H 2.71 0.02 1 1039 . 100 CYS C C 175.2 0.08 1 1040 . 100 CYS CA C 60.0 0.31 1 1041 . 100 CYS CB C 30.7 0.31 1 1042 . 100 CYS N N 123.9 0.14 1 1043 . 101 SER H H 8.61 0.015 1 1044 . 101 SER HA H 4.76 0.015 1 1045 . 101 SER C C 174.7 0.08 1 1046 . 101 SER CA C 57.9 0.31 1 1047 . 101 SER CB C 63.5 0.31 1 1048 . 101 SER N N 119.0 0.14 1 1049 . 102 LYS H H 8.18 0.015 1 1050 . 102 LYS HA H 4.02 0.015 1 1051 . 102 LYS HB2 H 1.37 0.02 1 1052 . 102 LYS HB3 H 1.16 0.02 1 1053 . 102 LYS HG2 H 1.37 0.02 1 1054 . 102 LYS HG3 H 1.37 0.02 1 1055 . 102 LYS HD2 H 1.47 0.02 1 1056 . 102 LYS HD3 H 1.47 0.02 1 1057 . 102 LYS HE2 H 2.96 0.02 1 1058 . 102 LYS HE3 H 2.96 0.02 1 1059 . 102 LYS C C 174.8 0.08 1 1060 . 102 LYS CA C 56.6 0.31 1 1061 . 102 LYS CB C 33.3 0.31 1 1062 . 102 LYS CG C 26.2 0.31 1 1063 . 102 LYS CD C 28.7 0.31 1 1064 . 102 LYS CE C 42.0 0.31 1 1065 . 102 LYS N N 122.6 0.14 1 1066 . 103 TYR H H 7.26 0.015 1 1067 . 103 TYR HA H 4.69 0.015 1 1068 . 103 TYR HB2 H 3.12 0.02 1 1069 . 103 TYR HB3 H 2.94 0.02 1 1070 . 103 TYR HD1 H 6.88 0.02 1 1071 . 103 TYR HD2 H 6.88 0.02 1 1072 . 103 TYR HE1 H 6.69 0.02 1 1073 . 103 TYR HE2 H 6.69 0.02 1 1074 . 103 TYR C C 173.4 0.08 1 1075 . 103 TYR CA C 55.5 0.31 1 1076 . 103 TYR CB C 41.2 0.31 1 1077 . 103 TYR CD1 C 133.8 0.31 1 1078 . 103 TYR CD2 C 133.8 0.31 1 1079 . 103 TYR CE1 C 118.2 0.31 1 1080 . 103 TYR CE2 C 118.2 0.31 1 1081 . 103 TYR N N 116.9 0.14 1 1082 . 104 PHE H H 8.71 0.015 1 1083 . 104 PHE HA H 4.89 0.015 1 1084 . 104 PHE HB2 H 3.63 0.02 1 1085 . 104 PHE HB3 H 2.83 0.02 1 1086 . 104 PHE HD1 H 7.27 0.02 1 1087 . 104 PHE HD2 H 7.27 0.02 1 1088 . 104 PHE HE1 H 6.86 0.02 1 1089 . 104 PHE HE2 H 6.86 0.02 1 1090 . 104 PHE C C 175.8 0.08 1 1091 . 104 PHE CA C 57.3 0.31 1 1092 . 104 PHE CB C 44.2 0.31 1 1093 . 104 PHE CD1 C 132.6 0.31 1 1094 . 104 PHE CD2 C 132.6 0.31 1 1095 . 104 PHE CE1 C 130.7 0.31 1 1096 . 104 PHE CE2 C 130.7 0.31 1 1097 . 104 PHE N N 116.5 0.14 1 1098 . 105 THR H H 9.46 0.015 1 1099 . 105 THR HA H 4.78 0.015 1 1100 . 105 THR HB H 4.58 0.02 1 1101 . 105 THR HG2 H 1.33 0.02 1 1102 . 105 THR C C 174.9 0.08 1 1103 . 105 THR CA C 62.8 0.31 1 1104 . 105 THR CB C 69.7 0.31 1 1105 . 105 THR N N 111.0 0.14 1 1106 . 106 THR H H 7.39 0.015 1 1107 . 106 THR HA H 4.58 0.015 1 1108 . 106 THR HB H 4.32 0.02 1 1109 . 106 THR HG2 H 1.24 0.02 1 1110 . 106 THR C C 173.6 0.08 1 1111 . 106 THR CA C 59.4 0.31 1 1112 . 106 THR CB C 72.7 0.31 1 1113 . 106 THR CG2 C 20.6 0.31 1 1114 . 106 THR N N 108.6 0.14 1 1115 . 107 LEU H H 8.14 0.015 1 1116 . 107 LEU HA H 3.39 0.015 1 1117 . 107 LEU HB2 H 1.35 0.02 1 1118 . 107 LEU HB3 H 1.01 0.02 1 1119 . 107 LEU HG H 1.11 0.02 1 1120 . 107 LEU HD1 H 0.83 0.02 1 1121 . 107 LEU HD2 H 0.70 0.02 1 1122 . 107 LEU C C 178.9 0.08 1 1123 . 107 LEU CA C 57.0 0.31 1 1124 . 107 LEU CB C 41.2 0.31 1 1125 . 107 LEU CG C 27.1 0.31 1 1126 . 107 LEU CD1 C 23.1 0.31 1 1127 . 107 LEU CD2 C 24.9 0.31 1 1128 . 107 LEU N N 124.3 0.14 1 1129 . 108 SER HA H 3.81 0.02 1 1130 . 108 SER HB2 H 3.68 0.02 1 1131 . 108 SER HB3 H 3.68 0.02 1 1132 . 108 SER C C 177.3 0.08 4 1133 . 108 SER CA C 62.0 0.31 4 1134 . 108 SER CB C 62.0 0.31 4 1135 . 109 ASP H H 7.67 0.015 1 1136 . 109 ASP HA H 4.27 0.015 1 1137 . 109 ASP HB2 H 2.76 0.02 1 1138 . 109 ASP HB3 H 2.58 0.02 1 1139 . 109 ASP C C 178.6 0.08 1 1140 . 109 ASP CA C 57.0 0.31 1 1141 . 109 ASP CB C 40.1 0.31 1 1142 . 109 ASP N N 120.9 0.14 1 1143 . 110 LEU H H 7.20 0.015 1 1144 . 110 LEU HA H 3.33 0.015 1 1145 . 110 LEU HB2 H 2.03 0.02 1 1146 . 110 LEU HB3 H 1.42 0.02 1 1147 . 110 LEU HG H 1.54 0.02 1 1148 . 110 LEU HD1 H 1.02 0.02 1 1149 . 110 LEU HD2 H 0.86 0.02 1 1150 . 110 LEU C C 177.8 0.08 1 1151 . 110 LEU CA C 58.2 0.31 1 1152 . 110 LEU CB C 40.4 0.31 1 1153 . 110 LEU CG C 27.1 0.31 1 1154 . 110 LEU CD1 C 22.8 0.31 1 1155 . 110 LEU CD2 C 23.1 0.31 1 1156 . 110 LEU N N 122.3 0.14 1 1157 . 111 ARG H H 8.56 0.015 1 1158 . 111 ARG HA H 3.75 0.015 1 1159 . 111 ARG HB2 H 1.81 0.02 1 1160 . 111 ARG HB3 H 1.81 0.02 1 1161 . 111 ARG HG2 H 1.61 0.02 1 1162 . 111 ARG HG3 H 1.61 0.02 1 1163 . 111 ARG HD2 H 3.17 0.02 1 1164 . 111 ARG HD3 H 3.17 0.02 1 1165 . 111 ARG C C 179.0 0.08 1 1166 . 111 ARG CA C 59.9 0.31 1 1167 . 111 ARG CB C 29.6 0.31 1 1168 . 111 ARG CG C 27.5 0.31 1 1169 . 111 ARG CD C 43.4 0.31 1 1170 . 111 ARG N N 118.5 0.14 1 1171 . 112 LYS H H 7.54 0.015 1 1172 . 112 LYS HA H 3.85 0.015 1 1173 . 112 LYS HB2 H 1.77 0.02 1 1174 . 112 LYS HB3 H 1.70 0.02 1 1175 . 112 LYS HG2 H 1.31 0.02 1 1176 . 112 LYS HG3 H 1.31 0.02 1 1177 . 112 LYS HD2 H 1.60 0.02 1 1178 . 112 LYS HD3 H 1.60 0.02 1 1179 . 112 LYS HE2 H 2.89 0.02 1 1180 . 112 LYS HE3 H 2.89 0.02 1 1181 . 112 LYS C C 178.6 0.08 1 1182 . 112 LYS CA C 59.5 0.31 1 1183 . 112 LYS CB C 32.6 0.31 1 1184 . 112 LYS CG C 25.2 0.31 1 1185 . 112 LYS CD C 29.0 0.31 1 1186 . 112 LYS CE C 42.0 0.31 1 1187 . 112 LYS N N 118.2 0.14 1 1188 . 113 HIS H H 7.47 0.015 1 1189 . 113 HIS HA H 4.22 0.015 1 1190 . 113 HIS HB2 H 3.04 0.02 1 1191 . 113 HIS HB3 H 2.78 0.02 1 1192 . 113 HIS HD2 H 7.14 0.02 1 1193 . 113 HIS HE1 H 7.78 0.02 1 1194 . 113 HIS C C 178.6 0.08 1 1195 . 113 HIS CA C 59.1 0.31 1 1196 . 113 HIS CB C 28.9 0.31 1 1197 . 113 HIS N N 118.6 0.14 1 1198 . 114 ILE H H 8.80 0.015 1 1199 . 114 ILE HA H 3.54 0.015 1 1200 . 114 ILE HB H 1.96 0.02 1 1201 . 114 ILE HG12 H 1.79 0.02 1 1202 . 114 ILE HG13 H 1.44 0.02 1 1203 . 114 ILE HG2 H 1.06 0.02 1 1204 . 114 ILE HD1 H 0.93 0.02 1 1205 . 114 ILE C C 177.8 0.08 1 1206 . 114 ILE CA C 65.9 0.31 1 1207 . 114 ILE CB C 38.2 0.31 1 1208 . 114 ILE CG1 C 26.8 0.31 1 1209 . 114 ILE CG2 C 17.7 0.31 1 1210 . 114 ILE CD1 C 14.3 0.31 1 1211 . 114 ILE N N 121.2 0.14 1 1212 . 115 ARG H H 6.98 0.015 1 1213 . 115 ARG HA H 4.11 0.015 1 1214 . 115 ARG HB2 H 1.87 0.02 1 1215 . 115 ARG HB3 H 1.81 0.02 1 1216 . 115 ARG HG2 H 1.64 0.02 1 1217 . 115 ARG HG3 H 1.64 0.02 1 1218 . 115 ARG HD2 H 3.14 0.02 1 1219 . 115 ARG HD3 H 3.14 0.02 1 1220 . 115 ARG C C 178.0 0.08 1 1221 . 115 ARG CA C 58.3 0.31 1 1222 . 115 ARG CB C 30.0 0.31 1 1223 . 115 ARG CG C 27.5 0.31 1 1224 . 115 ARG CD C 43.7 0.31 1 1225 . 115 ARG N N 117.8 0.14 1 1226 . 116 THR H H 7.76 0.015 5 1227 . 116 THR HA H 4.09 0.015 5 1228 . 116 THR HG2 H 1.17 0.02 1 1229 . 116 THR C C 175.7 0.08 5 1230 . 116 THR CA C 63.9 0.31 5 1231 . 116 THR CB C 69.2 0.31 5 1232 . 116 THR CG2 C 20.9 0.31 5 1233 . 116 THR N N 110.0 0.14 5 1234 . 117 HIS H H 7.32 0.015 1 1235 . 117 HIS HA H 4.71 0.015 1 1236 . 117 HIS HB2 H 3.20 0.02 1 1237 . 117 HIS HB3 H 3.14 0.02 1 1238 . 117 HIS HD2 H 6.47 0.02 1 1239 . 117 HIS HE1 H 7.97 0.02 1 1240 . 117 HIS C C 175.9 0.08 1 1241 . 117 HIS CA C 56.3 0.31 1 1242 . 117 HIS CB C 28.7 0.31 1 1243 . 117 HIS CD2 C 127.2 0.31 1 1244 . 117 HIS CE1 C 139.7 0.31 1 1245 . 117 HIS N N 119.5 0.14 1 1246 . 118 THR H H 7.77 0.015 5 1247 . 118 THR HA H 4.27 0.015 5 1248 . 118 THR HB H 4.14 0.02 1 1249 . 118 THR HG2 H 1.16 0.02 1 1250 . 118 THR C C 175.2 0.08 5 1251 . 118 THR CA C 62.7 0.31 5 1252 . 118 THR CB C 69.6 0.31 5 1253 . 118 THR CG2 C 21.8 0.31 1 1254 . 118 THR N N 113.1 0.14 5 1255 . 119 GLY H H 8.29 0.015 5 1256 . 119 GLY HA2 H 3.94 0.02 1 1257 . 119 GLY C C 174.1 0.08 5 1258 . 119 GLY CA C 45.5 0.31 5 1259 . 119 GLY N N 111.5 0.14 5 1260 . 120 GLU H H 8.05 0.015 1 1261 . 120 GLU HA H 4.22 0.015 1 1262 . 120 GLU HB2 H 1.97 0.02 1 1263 . 120 GLU HB3 H 1.97 0.02 1 1264 . 120 GLU HG2 H 2.42 0.02 1 1265 . 120 GLU HG3 H 2.42 0.02 1 1266 . 120 GLU C C 176.2 0.02 1 1267 . 120 GLU CA C 56.3 0.31 1 1268 . 120 GLU CB C 30.7 0.31 1 1269 . 120 GLU CG C 36.5 0.31 1 1270 . 120 GLU N N 120.4 0.14 1 1271 . 121 LYS H H 8.31 0.015 1 1272 . 121 LYS HA H 4.53 0.015 1 1273 . 121 LYS HB2 H 1.79 0.02 1 1274 . 121 LYS HB3 H 1.68 0.02 1 1275 . 121 LYS HG2 H 1.36 0.02 1 1276 . 121 LYS HG3 H 1.43 0.02 1 1277 . 121 LYS HD2 H 1.61 0.02 1 1278 . 121 LYS HD3 H 1.61 0.02 1 1279 . 121 LYS HE2 H 2.92 0.02 1 1280 . 121 LYS HE3 H 2.92 0.02 1 1281 . 121 LYS C C 174.1 0.08 1 1282 . 121 LYS CA C 54.0 0.31 1 1283 . 121 LYS CB C 32.4 0.31 1 1284 . 121 LYS CG C 25.0 0.31 1 1285 . 121 LYS CD C 29.0 0.31 1 1286 . 121 LYS CE C 42.0 0.31 1 1287 . 121 LYS N N 123.0 0.14 1 1288 . 122 PRO C C 176.4 0.08 1 1289 . 122 PRO CA C 63.5 0.31 1 1290 . 122 PRO CB C 32.3 0.31 1 1291 . 123 PHE H H 7.85 0.015 1 1292 . 123 PHE HA H 4.61 0.015 1 1293 . 123 PHE HB2 H 2.88 0.02 1 1294 . 123 PHE HB3 H 2.71 0.02 1 1295 . 123 PHE HD1 H 6.96 0.02 1 1296 . 123 PHE HD2 H 6.96 0.02 1 1297 . 123 PHE HE1 H 6.83 0.02 1 1298 . 123 PHE HE2 H 6.83 0.02 1 1299 . 123 PHE C C 174.5 0.08 1 1300 . 123 PHE CA C 57.3 0.31 1 1301 . 123 PHE CB C 38.6 0.31 1 1302 . 123 PHE CD1 C 127.9 0.31 1 1303 . 123 PHE CD2 C 127.9 0.31 1 1304 . 123 PHE CE1 C 130.7 0.31 1 1305 . 123 PHE CE2 C 130.7 0.31 1 1306 . 123 PHE N N 118.3 0.14 1 1307 . 124 ARG H H 8.52 0.015 1 1308 . 124 ARG HA H 4.84 0.015 1 1309 . 124 ARG HB2 H 1.74 0.02 1 1310 . 124 ARG HB3 H 1.64 0.02 1 1311 . 124 ARG HG2 H 1.48 0.02 1 1312 . 124 ARG HG3 H 1.48 0.02 1 1313 . 124 ARG HD2 H 3.11 0.02 1 1314 . 124 ARG HD3 H 3.11 0.02 1 1315 . 124 ARG C C 174.7 0.08 1 1316 . 124 ARG CA C 55.1 0.31 1 1317 . 124 ARG CB C 32.7 0.31 1 1318 . 124 ARG CG C 27.5 0.31 1 1319 . 124 ARG CD C 43.7 0.31 1 1320 . 124 ARG N N 125.0 0.14 1 1321 . 125 CYS H H 8.83 0.015 1 1322 . 125 CYS HA H 4.37 0.015 1 1323 . 125 CYS HB2 H 3.28 0.02 1 1324 . 125 CYS HB3 H 2.80 0.02 1 1325 . 125 CYS C C 175.9 0.08 1 1326 . 125 CYS CA C 60.9 0.31 1 1327 . 125 CYS CB C 30.6 0.31 1 1328 . 125 CYS N N 126.5 0.14 1 1329 . 126 ASP H H 8.71 0.015 1 1330 . 126 ASP HA H 4.77 0.015 1 1331 . 126 ASP HB2 H 2.81 0.02 1 1332 . 126 ASP HB3 H 2.73 0.02 1 1333 . 126 ASP C C 176.2 0.08 1 1334 . 126 ASP CA C 53.8 0.31 1 1335 . 126 ASP CB C 41.1 0.31 1 1336 . 126 ASP N N 129.1 0.14 1 1337 . 127 HIS H H 9.01 0.015 1 1338 . 127 HIS HA H 4.06 0.015 1 1339 . 127 HIS HB2 H 2.60 0.02 1 1340 . 127 HIS HB3 H 2.50 0.02 1 1341 . 127 HIS C C 176.3 0.08 1 1342 . 127 HIS CA C 58.4 0.31 1 1343 . 127 HIS CB C 30.4 0.31 1 1344 . 127 HIS N N 124.7 0.14 1 1345 . 128 ASP H H 8.37 0.015 1 1346 . 128 ASP HA H 4.20 0.015 1 1347 . 128 ASP HB2 H 2.43 0.02 1 1348 . 128 ASP HB3 H 2.43 0.02 1 1349 . 128 ASP C C 177.0 0.08 1 1350 . 128 ASP CA C 56.3 0.31 1 1351 . 128 ASP CB C 40.7 0.31 1 1352 . 128 ASP N N 128.4 0.14 1 1353 . 129 GLY H H 8.71 0.015 5 1354 . 129 GLY HA2 H 4.08 0.02 2 1355 . 129 GLY HA3 H 3.67 0.02 2 1356 . 129 GLY C C 173.8 0.08 5 1357 . 129 GLY CA C 45.7 0.31 5 1358 . 129 GLY N N 112.4 0.14 5 1359 . 130 CYS H H 7.86 0.015 1 1360 . 130 CYS HA H 4.53 0.015 1 1361 . 130 CYS HB2 H 3.20 0.02 1 1362 . 130 CYS HB3 H 2.78 0.02 1 1363 . 130 CYS C C 176.0 0.08 1 1364 . 130 CYS CA C 60.8 0.31 1 1365 . 130 CYS CB C 29.5 0.31 1 1366 . 130 CYS N N 122.6 0.14 1 1367 . 131 GLY H H 8.45 0.015 5 1368 . 131 GLY HA2 H 3.96 0.015 5 1369 . 131 GLY C C 174.5 0.08 5 1370 . 131 GLY CA C 45.8 0.31 5 1371 . 131 GLY N N 105.9 0.14 5 1372 . 132 LYS H H 8.02 0.015 1 1373 . 132 LYS HA H 3.91 0.015 1 1374 . 132 LYS HB2 H 1.27 0.02 1 1375 . 132 LYS HB3 H 1.17 0.02 1 1376 . 132 LYS HG2 H 1.45 0.02 1 1377 . 132 LYS HG3 H 1.45 0.02 1 1378 . 132 LYS HD2 H 1.46 0.02 1 1379 . 132 LYS HD3 H 1.46 0.02 1 1380 . 132 LYS HE2 H 2.96 0.02 1 1381 . 132 LYS HE3 H 2.96 0.02 1 1382 . 132 LYS C C 174.0 0.08 1 1383 . 132 LYS CA C 57.6 0.31 1 1384 . 132 LYS CB C 33.5 0.31 1 1385 . 132 LYS CG C 25.6 0.31 1 1386 . 132 LYS CD C 29.0 0.31 1 1387 . 132 LYS CE C 42.0 0.31 1 1388 . 132 LYS N N 121.9 0.14 1 1389 . 133 ALA H H 7.55 0.015 1 1390 . 133 ALA HA H 5.00 0.015 1 1391 . 133 ALA HB H 1.17 0.02 1 1392 . 133 ALA C C 175.6 0.08 1 1393 . 133 ALA CA C 50.4 0.31 1 1394 . 133 ALA CB C 22.6 0.31 1 1395 . 133 ALA N N 122.3 0.14 1 1396 . 134 PHE H H 8.69 0.015 1 1397 . 134 PHE HA H 4.72 0.015 1 1398 . 134 PHE HB2 H 3.46 0.02 1 1399 . 134 PHE HB3 H 2.73 0.02 1 1400 . 134 PHE HD1 H 7.18 0.02 1 1401 . 134 PHE HD2 H 7.18 0.02 1 1402 . 134 PHE HE1 H 7.06 0.02 1 1403 . 134 PHE HE2 H 7.06 0.02 1 1404 . 134 PHE C C 174.8 0.08 1 1405 . 134 PHE CA C 57.2 0.31 1 1406 . 134 PHE CB C 44.2 0.31 1 1407 . 134 PHE CD1 C 132.9 0.31 1 1408 . 134 PHE CE1 C 132.9 0.31 1 1409 . 134 PHE N N 115.9 0.14 1 1410 . 135 ALA H H 9.39 0.015 1 1411 . 135 ALA C C 176.5 0.08 1 1412 . 135 ALA CA C 53.3 0.31 1 1413 . 135 ALA CB C 20.2 0.31 1 1414 . 135 ALA N N 122.4 0.14 1 1415 . 136 ALA H H 7.39 0.015 1 1416 . 136 ALA HA H 4.58 0.015 1 1417 . 136 ALA HB H 0.93 0.02 1 1418 . 136 ALA C C 177.3 0.08 1 1419 . 136 ALA CA C 50.4 0.31 1 1420 . 136 ALA CB C 21.8 0.31 1 1421 . 136 ALA N N 116.8 0.14 1 1422 . 137 SER C C 173.2 0.08 1 1423 . 137 SER CA C 58.3 0.31 1 1424 . 137 SER CB C 63.7 0.31 1 1425 . 138 HIS H H 8.09 0.015 1 1426 . 138 HIS HA H 4.43 0.015 1 1427 . 138 HIS HB2 H 3.20 0.02 1 1428 . 138 HIS HB3 H 2.67 0.02 1 1429 . 138 HIS HE1 H 7.47 0.02 1 1430 . 138 HIS C C 177.5 0.08 1 1431 . 138 HIS CA C 59.0 0.31 1 1432 . 138 HIS CB C 29.5 0.31 1 1433 . 138 HIS CE1 C 139.4 0.31 1 1434 . 138 HIS N N 124.0 0.14 1 1435 . 139 HIS H H 6.22 0.015 1 1436 . 139 HIS HA H 4.32 0.015 1 1437 . 139 HIS HB2 H 3.05 0.02 1 1438 . 139 HIS HB3 H 2.99 0.02 1 1439 . 139 HIS HE1 H 7.79 0.02 1 1440 . 139 HIS C C 178.2 0.08 1 1441 . 139 HIS CA C 57.1 0.31 1 1442 . 139 HIS CB C 31.5 0.31 1 1443 . 139 HIS CE1 C 139.4 0.02 1 1444 . 139 HIS N N 118.90 0.14 1 1445 . 140 LEU H H 6.83 0.015 1 1446 . 140 LEU HA H 3.40 0.015 1 1447 . 140 LEU HB2 H 1.98 0.02 1 1448 . 140 LEU HB3 H 1.50 0.02 1 1449 . 140 LEU HG H 1.61 0.02 1 1450 . 140 LEU HD1 H 1.14 0.02 1 1451 . 140 LEU HD2 H 1.0 0.02 1 1452 . 140 LEU C C 177.1 0.08 1 1453 . 140 LEU CA C 57.8 0.31 1 1454 . 140 LEU CB C 40.6 0.31 1 1455 . 140 LEU CG C 27.1 0.31 1 1456 . 140 LEU CD1 C 22.8 0.31 1 1457 . 140 LEU CD2 C 22.8 0.31 1 1458 . 140 LEU N N 120.5 0.14 1 1459 . 141 LYS H H 7.96 0.015 1 1460 . 141 LYS HA H 3.85 0.015 1 1461 . 141 LYS HB2 H 1.77 0.02 1 1462 . 141 LYS HB3 H 1.55 0.02 1 1463 . 141 LYS HG2 H 1.29 0.02 1 1464 . 141 LYS HG3 H 1.44 0.02 1 1465 . 141 LYS HD2 H 1.61 0.02 1 1466 . 141 LYS HD3 H 1.61 0.02 1 1467 . 141 LYS HE2 H 2.88 0.02 1 1468 . 141 LYS HE3 H 2.88 0.02 1 1469 . 141 LYS C C 179.0 0.08 1 1470 . 141 LYS CA C 59.8 0.31 1 1471 . 141 LYS CB C 32.2 0.31 1 1472 . 141 LYS CG C 25.2 0.31 1 1473 . 141 LYS CD C 29.0 0.31 1 1474 . 141 LYS CE C 42.0 0.31 1 1475 . 141 LYS N N 118.6 0.14 1 1476 . 142 THR H H 7.60 0.015 1 1477 . 142 THR HA H 3.78 0.015 1 1478 . 142 THR HB H 4.03 0.02 1 1479 . 142 THR HG2 H 1.15 0.02 1 1480 . 142 THR C C 176.1 0.08 1 1481 . 142 THR CA C 66.0 0.31 1 1482 . 142 THR CB C 68.6 0.31 1 1483 . 142 THR CG2 C 21.4 0.31 1 1484 . 142 THR N N 113.7 0.14 1 1485 . 143 HIS H H 7.51 0.015 1 1486 . 143 HIS HA H 4.19 0.015 1 1487 . 143 HIS HB2 H 3.05 0.02 1 1488 . 143 HIS HB3 H 2.79 0.02 1 1489 . 143 HIS HD2 H 6.32 0.02 1 1490 . 143 HIS C C 178.3 0.08 1 1491 . 143 HIS CA C 59.4 0.31 1 1492 . 143 HIS CB C 28.9 0.31 1 1493 . 143 HIS CD2 C 127.2 0.31 1 1494 . 143 HIS N N 121.0 0.14 1 1495 . 144 VAL H H 8.80 0.015 1 1496 . 144 VAL HA H 3.46 0.02 1 1497 . 144 VAL HB H 2.28 0.02 1 1498 . 144 VAL HG1 H 1.25 0.02 1 1499 . 144 VAL HG2 H 1.25 0.02 1 1500 . 144 VAL C C 177.7 0.08 1 1501 . 144 VAL CA C 66.6 0.31 1 1502 . 144 VAL CB C 31.6 0.31 1 1503 . 144 VAL CG1 C 22.1 0.31 1 1504 . 144 VAL N N 119.1 0.14 1 1505 . 145 ARG H H 6.95 0.015 1 1506 . 145 ARG HA H 4.11 0.015 1 1507 . 145 ARG HB2 H 1.87 0.02 1 1508 . 145 ARG HB3 H 1.79 0.02 1 1509 . 145 ARG HG2 H 1.63 0.02 1 1510 . 145 ARG HG3 H 1.63 0.02 1 1511 . 145 ARG HD2 H 3.15 0.02 1 1512 . 145 ARG HD3 H 3.15 0.02 1 1513 . 145 ARG C C 178.1 0.08 1 1514 . 145 ARG CA C 58.2 0.31 1 1515 . 145 ARG CB C 30.0 0.31 1 1516 . 145 ARG CG C 27.5 0.31 1 1517 . 145 ARG CD C 43.7 0.31 1 1518 . 145 ARG N N 118.3 0.14 1 1519 . 146 THR H H 7.76 0.015 5 1520 . 146 THR HA H 4.06 0.015 5 1521 . 146 THR HB H 3.93 0.02 1 1522 . 146 THR HG2 H 1.07 0.02 1 1523 . 146 THR C C 175.7 0.08 5 1524 . 146 THR CA C 63.9 0.31 5 1525 . 146 THR CB C 69.2 0.31 5 1526 . 146 THR CG2 C 20.9 0.31 1 1527 . 146 THR N N 110.0 0.14 5 1528 . 147 HIS H H 7.16 0.015 1 1529 . 147 HIS HA H 4.58 0.015 1 1530 . 147 HIS HB2 H 3.07 0.02 1 1531 . 147 HIS HB3 H 2.88 0.02 1 1532 . 147 HIS HD2 H 6.32 0.02 1 1533 . 147 HIS C C 175.6 0.08 1 1534 . 147 HIS CA C 55.8 0.31 1 1535 . 147 HIS CB C 28.4 0.31 1 1536 . 147 HIS CD2 C 127.2 0.31 1 1537 . 147 HIS N N 118.5 0.14 1 1538 . 148 THR H H 7.64 0.015 1 1539 . 148 THR HA H 4.32 0.015 1 1540 . 148 THR HB H 4.22 0.02 1 1541 . 148 THR HG2 H 1.17 0.02 1 1542 . 148 THR C C 175.2 0.08 1 1543 . 148 THR CA C 62.3 0.31 1 1544 . 148 THR CB C 69.6 0.31 1 1545 . 148 THR CG2 C 21.5 0.31 1 1546 . 148 THR N N 112.5 0.14 1 1547 . 149 GLY H H 8.28 0.015 5 1548 . 149 GLY HA2 H 3.90 0.02 1 1549 . 149 GLY C C 174.1 0.08 5 1550 . 149 GLY CA C 45.4 0.31 5 1551 . 149 GLY N N 110.8 0.14 5 1552 . 150 GLU H H 8.08 0.015 1 1553 . 150 GLU HA H 4.17 0.015 1 1554 . 150 GLU HB2 H 1.96 0.02 1 1555 . 150 GLU HB3 H 1.76 0.02 1 1556 . 150 GLU HG2 H 2.24 0.02 1 1557 . 150 GLU HG3 H 2.24 0.02 1 1558 . 150 GLU C C 176.4 0.08 1 1559 . 150 GLU CA C 57.0 0.31 1 1560 . 150 GLU CB C 30.5 0.31 1 1561 . 150 GLU CG C 36.5 0.31 1 1562 . 150 GLU N N 119.9 0.14 1 1563 . 151 ARG H H 8.25 0.015 1 1564 . 151 ARG HA H 4.48 0.015 1 1565 . 151 ARG HB2 H 1.53 0.02 1 1566 . 151 ARG HB3 H 1.35 0.02 1 1567 . 151 ARG HG2 H 1.46 0.02 1 1568 . 151 ARG HG3 H 1.46 0.02 1 1569 . 151 ARG HD2 H 3.10 0.02 1 1570 . 151 ARG HD3 H 3.10 0.02 1 1571 . 151 ARG C C 174.0 0.08 1 1572 . 151 ARG CA C 45.0 0.31 1 1573 . 151 ARG CB C 33.1 0.31 1 1574 . 151 ARG CG C 27.5 0.31 1 1575 . 151 ARG CD C 43.7 0.31 1 1576 . 151 ARG N N 121.2 0.14 1 1577 . 152 PRO C C 175.9 0.08 1 1578 . 152 PRO CA C 63.5 0.31 1 1579 . 152 PRO CB C 32.3 0.31 1 1580 . 153 PHE H H 7.98 0.015 1 1581 . 153 PHE HA H 4.68 0.015 1 1582 . 153 PHE HB2 H 2.98 0.02 1 1583 . 153 PHE HB3 H 2.85 0.02 1 1584 . 153 PHE HD1 H 7.06 0.02 1 1585 . 153 PHE HD2 H 7.06 0.02 1 1586 . 153 PHE HE1 H 7.17 0.02 1 1587 . 153 PHE HE2 H 7.17 0.02 1 1588 . 153 PHE C C 174.7 0.08 1 1589 . 153 PHE CA C 57.2 0.31 1 1590 . 153 PHE CB C 39.5 0.31 1 1591 . 153 PHE CD1 C 127.6 0.31 1 1592 . 153 PHE CD2 C 127.6 0.31 1 1593 . 153 PHE CE1 C 132.9 0.31 1 1594 . 153 PHE CE2 C 132.9 0.31 1 1595 . 153 PHE N N 117.5 0.14 1 1596 . 154 PHE H H 8.32 0.015 1 1597 . 154 PHE HA H 4.93 0.015 1 1598 . 154 PHE HB2 H 2.99 0.02 1 1599 . 154 PHE HB3 H 2.97 0.02 1 1600 . 154 PHE HD1 H 7.15 0.02 1 1601 . 154 PHE HD2 H 7.15 0.02 1 1602 . 154 PHE HE1 H 7.26 0.02 1 1603 . 154 PHE HE2 H 7.26 0.02 1 1604 . 154 PHE C C 174.0 0.08 1 1605 . 154 PHE CA C 55.8 0.31 1 1606 . 154 PHE CB C 40.8 0.31 1 1607 . 154 PHE CD1 C 128.5 0.31 1 1608 . 154 PHE CD2 C 128.5 0.31 1 1609 . 154 PHE CE1 C 131.7 0.31 1 1610 . 154 PHE CE2 C 131.7 0.31 1 1611 . 154 PHE N N 122.6 0.14 1 1612 . 155 CYS H H 8.41 0.015 1 1613 . 155 CYS HA H 4.73 0.015 1 1614 . 155 CYS HB2 H 3.15 0.02 1 1615 . 155 CYS HB3 H 2.86 0.02 1 1616 . 155 CYS CA C 57.6 0.08 1 1617 . 155 CYS CB C 30.7 0.31 1 1618 . 155 CYS N N 125.6 0.14 1 1619 . 156 PRO C C 177.1 0.08 1 1620 . 156 PRO CA C 63.2 0.31 1 1621 . 156 PRO CB C 32.4 0.31 1 1622 . 157 SER H H 8.76 0.015 1 1623 . 157 SER HA H 4.06 0.015 1 1624 . 157 SER HB2 H 3.35 0.02 2 1625 . 157 SER HB3 H 3.17 0.02 2 1626 . 157 SER C C 175.6 0.08 1 1627 . 157 SER CA C 60.0 0.31 1 1628 . 157 SER CB C 63.3 0.31 1 1629 . 157 SER N N 121.2 0.14 1 1630 . 158 ASN HA H 4.37 0.02 1 1631 . 158 ASN HB2 H 2.72 0.02 2 1632 . 158 ASN HB3 H 2.70 0.02 2 1633 . 158 ASN C C 176.9 0.08 1 1634 . 158 ASN CA C 55.5 0.31 1 1635 . 158 ASN CB C 38.6 0.31 1 1636 . 159 GLY H H 9.04 0.015 5 1637 . 159 GLY HA2 H 4.13 0.02 2 1638 . 159 GLY HA3 H 3.72 0.02 2 1639 . 159 GLY C C 173.1 0.08 5 1640 . 159 GLY CA C 45.4 0.31 5 1641 . 159 GLY N N 114.4 0.14 5 1642 . 160 CYS H H 7.88 0.015 1 1643 . 160 CYS HA H 4.48 0.015 1 1644 . 160 CYS HB2 H 3.15 0.02 1 1645 . 160 CYS HB3 H 2.76 0.02 1 1646 . 160 CYS C C 175.5 0.08 1 1647 . 160 CYS CA C 60.8 0.31 1 1648 . 160 CYS CB C 30.4 0.31 1 1649 . 160 CYS N N 123.7 0.14 1 1650 . 161 GLU C C 176.1 0.08 1 1651 . 161 GLU CA C 56.1 0.31 1 1652 . 161 GLU CB C 29.2 0.31 1 1653 . 162 LYS H H 8.01 0.015 1 1654 . 162 LYS HA H 4.07 0.015 1 1655 . 162 LYS HB2 H 1.49 0.02 1 1656 . 162 LYS HB3 H 1.30 0.02 2 1657 . 162 LYS HG2 H 1.35 0.02 1 1658 . 162 LYS HG3 H 1.35 0.02 1 1659 . 162 LYS HD2 H 1.52 0.02 1 1660 . 162 LYS HD3 H 1.52 0.02 1 1661 . 162 LYS HE2 H 2.99 0.02 1 1662 . 162 LYS HE3 H 2.99 0.02 1 1663 . 162 LYS C C 175.2 0.08 1 1664 . 162 LYS CA C 57.3 0.31 1 1665 . 162 LYS CB C 33.6 0.31 1 1666 . 162 LYS CG C 25.6 0.31 1 1667 . 162 LYS CD C 29.0 0.31 1 1668 . 162 LYS CE C 42.0 0.31 1 1669 . 162 LYS N N 121.3 0.14 1 1670 . 163 THR H H 7.33 0.015 1 1671 . 163 THR HA H 4.91 0.015 1 1672 . 163 THR HB H 4.06 0.02 1 1673 . 163 THR HG2 H 0.88 0.02 1 1674 . 163 THR C C 173.3 0.08 1 1675 . 163 THR CA C 59.2 0.31 1 1676 . 163 THR CB C 71.5 0.31 1 1677 . 163 THR CG2 C 20.8 0.31 1 1678 . 163 THR N N 110.0 0.14 1 1679 . 164 PHE H H 8.66 0.015 1 1680 . 164 PHE HA H 4.72 0.015 1 1681 . 164 PHE HB2 H 3.46 0.02 1 1682 . 164 PHE HB3 H 2.60 0.02 1 1683 . 164 PHE HD1 H 7.07 0.02 1 1684 . 164 PHE HD2 H 7.07 0.02 1 1685 . 164 PHE HE1 H 7.34 0.02 1 1686 . 164 PHE HE2 H 7.34 0.02 1 1687 . 164 PHE C C 175.5 0.08 1 1688 . 164 PHE CA C 57.6 0.31 1 1689 . 164 PHE CB C 44.4 0.31 1 1690 . 164 PHE CD1 C 131.9 0.31 1 1691 . 164 PHE CD2 C 131.9 0.31 1 1692 . 164 PHE CE1 C 131.9 0.31 1 1693 . 164 PHE CE2 C 131.9 0.31 1 1694 . 164 PHE N N 116.9 0.14 1 1695 . 165 SER C C 174.4 0.08 1 1696 . 165 SER CA C 60.0 0.31 1 1697 . 165 SER CB C 64.2 0.31 1 1698 . 166 THR H H 7.24 0.015 1 1699 . 166 THR HA H 4.74 0.015 1 1700 . 166 THR HB H 4.41 0.02 1 1701 . 166 THR HG2 H 1.27 0.02 1 1702 . 166 THR C C 173.5 0.08 1 1703 . 166 THR CA C 58.9 0.31 1 1704 . 166 THR CB C 73.2 0.31 1 1705 . 166 THR CG2 C 21.8 0.31 1 1706 . 166 THR N N 106.9 0.14 1 1707 . 167 GLN H H 8.54 0.015 1 1708 . 167 GLN C C 177.9 0.08 1 1709 . 167 GLN CA C 58.2 0.31 1 1710 . 167 GLN CB C 28.0 0.31 1 1711 . 167 GLN N N 122.0 0.14 1 1712 . 168 TYR H H 8.01 0.015 1 1713 . 168 TYR HA H 4.01 0.015 1 1714 . 168 TYR HB2 H 3.05 0.02 1 1715 . 168 TYR HB3 H 2.86 0.02 1 1716 . 168 TYR HD1 H 7.02 0.02 1 1717 . 168 TYR HD2 H 7.02 0.02 1 1718 . 168 TYR HE1 H 6.78 0.02 1 1719 . 168 TYR HE2 H 6.78 0.02 1 1720 . 168 TYR C C 178.1 0.08 1 1721 . 168 TYR CA C 61.0 0.31 1 1722 . 168 TYR CB C 37.9 0.31 1 1723 . 168 TYR CD1 C 133.5 0.31 1 1724 . 168 TYR CD2 C 133.5 0.31 1 1725 . 168 TYR CE1 C 118.8 0.31 1 1726 . 168 TYR CE2 C 118.8 0.31 1 1727 . 168 TYR N N 118.8 0.14 1 1728 . 169 SER H H 7.82 0.015 1 1729 . 169 SER C C 176.8 0.08 1 1730 . 169 SER CA C 61.3 0.31 1 1731 . 169 SER CB C 62.6 0.31 1 1732 . 169 SER N N 116.4 0.14 1 1733 . 170 LEU H H 7.10 0.015 1 1734 . 170 LEU HA H 2.97 0.015 1 1735 . 170 LEU HB2 H 1.77 0.02 1 1736 . 170 LEU HB3 H 1.14 0.02 1 1737 . 170 LEU HG H 1.37 0.02 1 1738 . 170 LEU HD1 H 0.90 0.02 1 1739 . 170 LEU HD2 H 0.90 0.02 1 1740 . 170 LEU C C 177.6 0.08 1 1741 . 170 LEU CA C 57.9 0.31 1 1742 . 170 LEU CB C 40.6 0.31 1 1743 . 170 LEU CG C 27.5 0.31 1 1744 . 170 LEU CD1 C 23.4 0.31 1 1745 . 170 LEU CD2 C 23.4 0.31 1 1746 . 170 LEU N N 124.1 0.14 1 1747 . 171 LYS H H 8.28 0.015 1 1748 . 171 LYS HA H 3.75 0.015 1 1749 . 171 LYS HB2 H 1.71 0.02 1 1750 . 171 LYS HB3 H 1.56 0.02 1 1751 . 171 LYS HG2 H 1.44 0.02 1 1752 . 171 LYS HG3 H 1.31 0.02 1 1753 . 171 LYS HD2 H 1.56 0.02 1 1754 . 171 LYS HD3 H 1.56 0.02 1 1755 . 171 LYS HE2 H 2.85 0.02 1 1756 . 171 LYS HE3 H 2.85 0.02 1 1757 . 171 LYS C C 179.5 0.08 1 1758 . 171 LYS CA C 59.8 0.31 1 1759 . 171 LYS CB C 31.9 0.31 1 1760 . 171 LYS CG C 24.9 0.31 1 1761 . 171 LYS CD C 29.0 0.31 1 1762 . 171 LYS CE C 42.0 0.31 1 1763 . 171 LYS N N 119.3 0.14 1 1764 . 172 SER H H 7.71 0.015 1 1765 . 172 SER HA H 3.96 0.015 1 1766 . 172 SER HB2 H 3.68 0.02 2 1767 . 172 SER HB3 H 3.52 0.02 2 1768 . 172 SER C C 176.8 0.08 1 1769 . 172 SER CA C 61.3 0.31 1 1770 . 172 SER CB C 62.5 0.31 1 1771 . 172 SER N N 113.4 0.14 1 1772 . 173 HIS H H 7.45 0.015 1 1773 . 173 HIS HA H 4.16 0.015 1 1774 . 173 HIS HB2 H 3.04 0.02 1 1775 . 173 HIS HB3 H 2.84 0.02 1 1776 . 173 HIS C C 177.7 0.08 1 1777 . 173 HIS CA C 58.8 0.31 1 1778 . 173 HIS CB C 28.5 0.31 1 1779 . 173 HIS N N 121.2 0.14 1 1780 . 174 MET H H 8.33 0.015 1 1781 . 174 MET HA H 3.82 0.015 1 1782 . 174 MET HB2 H 2.26 0.02 1 1783 . 174 MET HB3 H 2.07 0.02 1 1784 . 174 MET HG2 H 2.85 0.02 1 1785 . 174 MET HG3 H 2.83 0.02 1 1786 . 174 MET HE H 2.07 0.02 1 1787 . 174 MET C C 177.7 0.08 1 1788 . 174 MET CA C 58.5 0.31 1 1789 . 174 MET CB C 32.0 0.31 1 1790 . 174 MET CG C 32.4 0.31 1 1791 . 174 MET CE C 15.9 0.31 1 1792 . 174 MET N N 117.6 0.14 1 1793 . 175 LYS H H 7.11 0.015 1 1794 . 175 LYS HA H 4.11 0.015 1 1795 . 175 LYS HB2 H 1.84 0.02 1 1796 . 175 LYS HB3 H 1.81 0.02 1 1797 . 175 LYS HG2 H 1.60 0.02 1 1798 . 175 LYS HG3 H 1.46 0.02 1 1799 . 175 LYS HD2 H 1.65 0.02 1 1800 . 175 LYS HD3 H 1.65 0.02 1 1801 . 175 LYS HE2 H 2.92 0.02 1 1802 . 175 LYS HE3 H 2.92 0.02 1 1803 . 175 LYS C C 177.0 0.08 1 1804 . 175 LYS CA C 58.1 0.31 1 1805 . 175 LYS CB C 32.0 0.31 1 1806 . 175 LYS CG C 25.2 0.31 1 1807 . 175 LYS CD C 29.1 0.31 1 1808 . 175 LYS CE C 42.0 0.31 1 1809 . 175 LYS N N 117.8 0.14 1 1810 . 176 GLY H H 7.58 0.015 1 1811 . 176 GLY HA2 H 4.11 0.015 2 1812 . 176 GLY HA3 H 3.53 0.02 2 1813 . 176 GLY C C 174.2 0.08 1 1814 . 176 GLY CA C 45.1 0.31 1 1815 . 176 GLY N N 105.0 0.14 1 1816 . 177 HIS H H 7.08 0.015 1 1817 . 177 HIS HA H 4.48 0.015 1 1818 . 177 HIS HB2 H 3.15 0.02 1 1819 . 177 HIS HB3 H 2.94 0.02 1 1820 . 177 HIS HD2 H 6.94 0.02 1 1821 . 177 HIS HE1 H 7.95 0.02 1 1822 . 177 HIS C C 179.7 0.08 1 1823 . 177 HIS CA C 57.6 0.31 1 1824 . 177 HIS CB C 30.1 0.31 1 1825 . 177 HIS CD2 C 126.3 0.02 1 1826 . 177 HIS CE1 C 139.4 0.02 1 1827 . 177 HIS N N 124.1 0.14 1 stop_ loop_ _Atom_shift_assign_ID_ambiguity 78,77 98,97,96,95 100,99 153,152 1135,1134 1520,1247,1227,927,275,76 1640,1357,1033,938,720,385,278,79 1550,1524,1370,1258,1251,1230,931,643,628 1637,1548,1368,1354,1256,1030,936,718,633,622,382 1641,1551,1371,1358,1259,1034,939,721,386,279,80 1642,1552,1528,1372,1359,1260,1255,1234,1035,940,935,649,632,280,722,387,81 1521,1369,1248,1228,1228,1228,928,634,623 644,629 645,630 1526,1525,1253,1252,1232,1231,933,932 stop_ save_