data_5232 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C, and 15N resonance assignments of the DNA-binding domain of the essential protein Cdc13 complexed with single-stranded telomeric DNA ; _BMRB_accession_number 5232 _BMRB_flat_file_name bmr5232.str _Entry_type new _Submission_date 2001-12-13 _Accession_date 2001-12-13 _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 Mitton-Fry Rachel M. . 2 Wuttke Deborah S. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 1060 "13C chemical shifts" 823 "15N chemical shifts" 184 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-07-14 update BMRB 'update DNA residue label to two-letter code' 2002-08-22 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Letter to the Editor: 1H, 13C, and 15N resonance assignments of the DNA-binding domain of the essential protein Cdc13 complexed with single-stranded telomeric DNA ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code 22012551 _PubMed_ID 12018489 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Mitton-Fry Rachel M. . 2 Wuttke Deborah S. . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_volume 22 _Journal_issue 4 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 379 _Page_last 380 _Year 2002 _Details . loop_ _Keyword cdc13 'telomere-binding protein' 'single-stranded DNA binding protein' stop_ save_ ################################## # Molecular system description # ################################## save_system_Cdc13_DBD/ssDNA _Saveframe_category molecular_system _Mol_system_name 'Cdc13 DNA-binding domain /telomeric ssDNA complex' _Abbreviation_common 'Cdc13 DBD/ssDNA' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Cdc13 DNA-binding Domain' $Cdc13_DBD 'telomeric single-stranded DNA' $ssDNA stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state complex _System_paramagnetic no _System_thiol_state 'all free' loop_ _Biological_function ; Binds single-stranded telomeric overhang with high affinity and sequence specificity. ; stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_Cdc13_DBD _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'Cdc13 DNA-binding domain' _Abbreviation_common 'Cdc13 DBD' _Molecular_mass . _Mol_thiol_state 'all free' _Details ; DBD encompasses residues 497-694 of the full-length protein, with a N-terminal methionine, such that residue 2 of the DBD is residue 497 of full-length Cdc13. ; ############################## # Polymer residue sequence # ############################## _Residue_count 199 _Mol_residue_sequence ; MRMSKMARKDPTIEFCQLGL DTFETKYITMFGMLVSCSFD KPAFISFVFSDFTKNDIVQN YLYDRYLIDYENKLELNEGF KAIMYKNQFETFDSKLRKIF NNGLRDLQNGRDENLSQYGI VCKMNIKVKMYNGKLNAIVR ECEPVPHSQISSIASPSQCE HLRLFYQRAFKRIGESAISR YFEEYRRFFPIHRNGSHLA ; loop_ _Residue_seq_code _Residue_label 1 MET 2 ARG 3 MET 4 SER 5 LYS 6 MET 7 ALA 8 ARG 9 LYS 10 ASP 11 PRO 12 THR 13 ILE 14 GLU 15 PHE 16 CYS 17 GLN 18 LEU 19 GLY 20 LEU 21 ASP 22 THR 23 PHE 24 GLU 25 THR 26 LYS 27 TYR 28 ILE 29 THR 30 MET 31 PHE 32 GLY 33 MET 34 LEU 35 VAL 36 SER 37 CYS 38 SER 39 PHE 40 ASP 41 LYS 42 PRO 43 ALA 44 PHE 45 ILE 46 SER 47 PHE 48 VAL 49 PHE 50 SER 51 ASP 52 PHE 53 THR 54 LYS 55 ASN 56 ASP 57 ILE 58 VAL 59 GLN 60 ASN 61 TYR 62 LEU 63 TYR 64 ASP 65 ARG 66 TYR 67 LEU 68 ILE 69 ASP 70 TYR 71 GLU 72 ASN 73 LYS 74 LEU 75 GLU 76 LEU 77 ASN 78 GLU 79 GLY 80 PHE 81 LYS 82 ALA 83 ILE 84 MET 85 TYR 86 LYS 87 ASN 88 GLN 89 PHE 90 GLU 91 THR 92 PHE 93 ASP 94 SER 95 LYS 96 LEU 97 ARG 98 LYS 99 ILE 100 PHE 101 ASN 102 ASN 103 GLY 104 LEU 105 ARG 106 ASP 107 LEU 108 GLN 109 ASN 110 GLY 111 ARG 112 ASP 113 GLU 114 ASN 115 LEU 116 SER 117 GLN 118 TYR 119 GLY 120 ILE 121 VAL 122 CYS 123 LYS 124 MET 125 ASN 126 ILE 127 LYS 128 VAL 129 LYS 130 MET 131 TYR 132 ASN 133 GLY 134 LYS 135 LEU 136 ASN 137 ALA 138 ILE 139 VAL 140 ARG 141 GLU 142 CYS 143 GLU 144 PRO 145 VAL 146 PRO 147 HIS 148 SER 149 GLN 150 ILE 151 SER 152 SER 153 ILE 154 ALA 155 SER 156 PRO 157 SER 158 GLN 159 CYS 160 GLU 161 HIS 162 LEU 163 ARG 164 LEU 165 PHE 166 TYR 167 GLN 168 ARG 169 ALA 170 PHE 171 LYS 172 ARG 173 ILE 174 GLY 175 GLU 176 SER 177 ALA 178 ILE 179 SER 180 ARG 181 TYR 182 PHE 183 GLU 184 GLU 185 TYR 186 ARG 187 ARG 188 PHE 189 PHE 190 PRO 191 ILE 192 HIS 193 ARG 194 ASN 195 GLY 196 SER 197 HIS 198 LEU 199 ALA stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-28 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 1KXL "Solution Structure Of The Cdc13 Dna-Binding Domain In A Complex With Single-Stranded Telomeric Dna (Dna Structure Not Modeled)" 100.00 199 100.00 100.00 5.14e-145 PDB 1S40 "Solution Structure Of The Cdc13 Dna-Binding Domain Complexed With A Single-Stranded Telomeric Dna 11-Mer" 100.00 199 100.00 100.00 5.14e-145 DBJ GAA22033 "K7_Cdc13p [Saccharomyces cerevisiae Kyokai no. 7]" 99.50 924 99.49 100.00 2.47e-137 EMBL CAA98800 "CDC13 [Saccharomyces cerevisiae]" 99.50 924 100.00 100.00 1.61e-137 EMBL CAY79065 "Cdc13p [Saccharomyces cerevisiae EC1118]" 99.50 924 100.00 100.00 1.27e-137 GB AAA99990 "cell division cycle protein [Saccharomyces cerevisiae]" 99.50 924 100.00 100.00 1.27e-137 GB AHY74797 "Cdc13p [Saccharomyces cerevisiae YJM993]" 99.50 924 100.00 100.00 1.27e-137 GB EDN60143 "single-stranded TG1-3 telomere G-tails binding protein [Saccharomyces cerevisiae YJM789]" 99.50 924 100.00 100.00 1.51e-137 GB EDV08479 "single-stranded TG1-3 telomere G-tails binding protein [Saccharomyces cerevisiae RM11-1a]" 99.50 924 100.00 100.00 1.17e-137 GB EDZ73439 "YDL220Cp-like protein [Saccharomyces cerevisiae AWRI1631]" 99.50 482 100.00 100.00 6.35e-143 REF NP_010061 "Cdc13p [Saccharomyces cerevisiae S288c]" 99.50 924 100.00 100.00 1.61e-137 SP P32797 "RecName: Full=Cell division control protein 13 [Saccharomyces cerevisiae S288c]" 99.50 924 100.00 100.00 1.61e-137 TPG DAA11644 "TPA: telomere-binding protein CDC13 [Saccharomyces cerevisiae S288c]" 99.50 924 100.00 100.00 1.61e-137 stop_ save_ save_ssDNA _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class DNA _Name_common 'telomeric single-stranded DNA 11mer' _Abbreviation_common ssDNA _Molecular_mass . _Mol_thiol_state 'not present' _Details . _Residue_count 11 _Mol_residue_sequence GTGTGGGTGTG loop_ _Residue_seq_code _Residue_label 1 DG 2 DT 3 DG 4 DT 5 DG 6 DG 7 DG 8 DT 9 DG 10 DT 11 DG stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $Cdc13_DBD 'Baker's yeast' 4932 Eukaryota Fungi Saccharomyces cerevisiae $ssDNA 'Baker's yeast' 4932 Eukaryota Fungi Saccharomyces cerevisiae stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_type _Vector_name $Cdc13_DBD 'recombinant technology' 'E. coli' . . BL21(DE3) plasmid pET-21a $ssDNA 'chemical synthesis' . . . . . . 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 _Concentration_min_value _Concentration_max_value _Isotopic_labeling $Cdc13_DBD . mM 0.7 1.1 '[U-13C; U-15N]' $ssDNA . mM 0.8 1.2 . imidazole 50 mM . . [U-2H] 'sodium chloride' 150 mM . . . 'sodium sulfate' 100 mM . . . 'sodium azide' 0.02 % . . . DTT 2 mM . . [U-2H] stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Cdc13_DBD 1.5 mM [U-15N] $ssDNA 1.7 mM . imidazole 50 mM [U-2H] 'sodium chloride' 150 mM . 'sodium sulfate' 100 mM . 'sodium azide' 0.02 % . DTT 2 mM [U-2H] stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Cdc13_DBD 1.1 mM . $ssDNA 1.2 mM . imidazole 50 mM [U-2H] 'sodium chloride' 150 mM . 'sodium sulfate' 100 mM . 'sodium azide' 0.02 % . DTT 2 mM [U-2H] stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Task 'data processing' stop_ _Details 'Delaglio, F.' save_ save_Ansig _Saveframe_category software _Name Ansig _Version 3.3 loop_ _Task 'data analysis' stop_ _Details 'Kraulis, P.' save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model UnityInova _Field_strength 500 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model UnityInova _Field_strength 600 _Details . save_ save_NMR_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-1H_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label . save_ save_2D_1H-13C_CT-HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C CT-HSQC' _Sample_label . save_ save_2D_1H-15N_HSQC_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label . save_ save_2D_CBHD_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D CBHD' _Sample_label . save_ save_2D_CBHE_5 _Saveframe_category NMR_applied_experiment _Experiment_name '2D CBHE' _Sample_label . save_ save_3D_1H-13C-1H_HCCH-COSY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C-1H HCCH-COSY' _Sample_label . save_ save_3D_1H-1H-15N_NOESY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-1H-15N NOESY' _Sample_label . save_ save_3D_13C-1H-1H_NOESY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-1H-1H NOESY' _Sample_label . save_ save_3D_1H-13C-1H_HCCH-TOCSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C-1H HCCH-TOCSY' _Sample_label . save_ save_3D_CBCA(CO)NH_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label . save_ save_3D_HNCACB_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label . save_ save_3D_HCACO_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCACO' _Sample_label . save_ save_3D_HNCA_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label . save_ save_3D_HNCO_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label . save_ save_3D_HN(CO)CA_15 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label . save_ save_3D_HN(CA)CO_16 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label . save_ save_3D_C(CO)NH_17 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label . save_ save_3D_HC(CO)NH_18 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HC(CO)NH' _Sample_label . save_ save_4D_1H-15N-1H-13C_NOESY_19 _Saveframe_category NMR_applied_experiment _Experiment_name '4D 1H-15N-1H-13C NOESY' _Sample_label . save_ save_4D_1H-13C-13C-1H_NOESY_20 _Saveframe_category NMR_applied_experiment _Experiment_name '4D 1H-13C-13C-1H NOESY' _Sample_label . save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C CT-HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D CBHD' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_5 _Saveframe_category NMR_applied_experiment _Experiment_name '2D CBHE' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C-1H HCCH-COSY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-1H-15N NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-1H-1H NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C-1H HCCH-TOCSY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCACO' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_15 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_16 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_17 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_18 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HC(CO)NH' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_19 _Saveframe_category NMR_applied_experiment _Experiment_name '4D 1H-15N-1H-13C NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_20 _Saveframe_category NMR_applied_experiment _Experiment_name '4D 1H-13C-13C-1H NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_Ex-cond_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 7.0 0.1 n/a temperature 303 1.5 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 H2O H 1 protons ppm 4.72 internal direct . internal . 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_shift_set_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 $sample_2 $sample_3 stop_ _Sample_conditions_label $Ex-cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'Cdc13 DNA-binding Domain' _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 . 5 LYS H H 8.34 0.02 1 2 . 5 LYS HA H 4.17 0.02 1 3 . 5 LYS HB2 H 1.80 0.02 2 4 . 5 LYS HB3 H 1.73 0.02 2 5 . 5 LYS HG2 H 1.40 0.02 2 6 . 5 LYS HG3 H 1.37 0.02 2 7 . 5 LYS HD2 H 1.65 0.02 1 8 . 5 LYS HD3 H 1.65 0.02 1 9 . 5 LYS C C 177.1 0.2 1 10 . 5 LYS CA C 57.2 0.2 1 11 . 5 LYS CB C 32.9 0.2 1 12 . 5 LYS CG C 25.0 0.2 1 13 . 5 LYS CD C 29.2 0.2 1 14 . 5 LYS CE C 42.2 0.2 1 15 . 5 LYS N N 123.0 0.2 1 16 . 6 MET H H 8.14 0.02 1 17 . 6 MET HA H 4.26 0.02 1 18 . 6 MET HB2 H 1.86 0.02 1 19 . 6 MET HB3 H 1.86 0.02 1 20 . 6 MET HG2 H 2.44 0.02 2 21 . 6 MET HG3 H 2.37 0.02 2 22 . 6 MET HE H 1.92 0.02 1 23 . 6 MET C C 176.3 0.2 1 24 . 6 MET CA C 56.2 0.2 1 25 . 6 MET CB C 32.8 0.2 1 26 . 6 MET CG C 32.2 0.2 1 27 . 6 MET CE C 17.0 0.2 1 28 . 6 MET N N 119.9 0.2 1 29 . 7 ALA H H 8.02 0.02 1 30 . 7 ALA HA H 4.26 0.02 1 31 . 7 ALA HB H 1.30 0.02 1 32 . 7 ALA C C 178.3 0.2 1 33 . 7 ALA CA C 52.9 0.2 1 34 . 7 ALA CB C 19.1 0.2 1 35 . 7 ALA N N 124.0 0.2 1 36 . 8 ARG H H 7.99 0.02 1 37 . 8 ARG HA H 4.18 0.02 1 38 . 8 ARG HB2 H 1.76 0.02 1 39 . 8 ARG HB3 H 1.76 0.02 1 40 . 8 ARG HG2 H 1.55 0.02 1 41 . 8 ARG HG3 H 1.55 0.02 1 42 . 8 ARG HD2 H 3.04 0.02 1 43 . 8 ARG HD3 H 3.04 0.02 1 44 . 8 ARG C C 176.2 0.2 1 45 . 8 ARG CA C 56.6 0.2 1 46 . 8 ARG CB C 30.9 0.2 1 47 . 8 ARG CG C 27.1 0.2 1 48 . 8 ARG CD C 43.5 0.2 1 49 . 8 ARG N N 119.0 0.2 1 50 . 9 LYS H H 8.15 0.02 1 51 . 9 LYS HA H 4.38 0.02 1 52 . 9 LYS HB2 H 1.85 0.02 2 53 . 9 LYS HB3 H 1.73 0.02 2 54 . 9 LYS HG2 H 1.41 0.02 2 55 . 9 LYS HG3 H 1.35 0.02 2 56 . 9 LYS HD2 H 1.66 0.02 1 57 . 9 LYS HD3 H 1.66 0.02 1 58 . 9 LYS C C 176.0 0.2 1 59 . 9 LYS CA C 55.5 0.2 1 60 . 9 LYS CB C 33.1 0.2 1 61 . 9 LYS CG C 24.8 0.2 1 62 . 9 LYS CD C 29.1 0.2 1 63 . 9 LYS CE C 42.2 0.2 1 64 . 9 LYS N N 121.4 0.2 1 65 . 10 ASP H H 8.00 0.02 1 66 . 10 ASP HA H 4.87 0.02 1 67 . 10 ASP HB2 H 2.59 0.02 2 68 . 10 ASP HB3 H 2.30 0.02 2 69 . 10 ASP C C 174.1 0.2 1 70 . 10 ASP CA C 53.0 0.2 1 71 . 10 ASP CB C 39.5 0.2 1 72 . 10 ASP N N 124.4 0.2 1 73 . 11 PRO HA H 4.45 0.02 1 74 . 11 PRO HB2 H 2.30 0.02 2 75 . 11 PRO HB3 H 1.84 0.02 2 76 . 11 PRO HG2 H 2.17 0.02 1 77 . 11 PRO HG3 H 2.17 0.02 1 78 . 11 PRO HD2 H 4.24 0.02 2 79 . 11 PRO HD3 H 3.95 0.02 2 80 . 11 PRO C C 175.5 0.2 1 81 . 11 PRO CA C 63.3 0.2 1 82 . 11 PRO CB C 32.5 0.2 1 83 . 11 PRO CG C 27.5 0.2 1 84 . 11 PRO CD C 50.7 0.2 1 85 . 12 THR H H 8.30 0.02 1 86 . 12 THR HA H 5.08 0.02 1 87 . 12 THR HB H 3.85 0.02 1 88 . 12 THR HG2 H 0.60 0.02 1 89 . 12 THR C C 175.1 0.2 1 90 . 12 THR CA C 62.0 0.2 1 91 . 12 THR CB C 68.9 0.2 1 92 . 12 THR CG2 C 20.3 0.2 1 93 . 12 THR N N 118.9 0.2 1 94 . 13 ILE H H 8.40 0.02 1 95 . 13 ILE HA H 4.96 0.02 1 96 . 13 ILE HB H 2.07 0.02 1 97 . 13 ILE HG12 H 1.14 0.02 1 98 . 13 ILE HG13 H 1.14 0.02 1 99 . 13 ILE HG2 H 0.79 0.02 1 100 . 13 ILE HD1 H 0.68 0.02 1 101 . 13 ILE C C 176.3 0.2 1 102 . 13 ILE CA C 59.0 0.2 1 103 . 13 ILE CB C 42.9 0.2 1 104 . 13 ILE CG1 C 25.6 0.2 1 105 . 13 ILE CG2 C 17.4 0.2 1 106 . 13 ILE CD1 C 14.8 0.2 1 107 . 13 ILE N N 119.3 0.2 1 108 . 14 GLU H H 8.22 0.02 1 109 . 14 GLU HA H 4.78 0.02 1 110 . 14 GLU C C 178.8 0.2 1 111 . 14 GLU CA C 55.5 0.2 1 112 . 14 GLU CB C 32.8 0.2 1 113 . 14 GLU N N 119.8 0.2 1 114 . 15 PHE H H 11.35 0.02 1 115 . 15 PHE HA H 4.18 0.02 1 116 . 15 PHE HB2 H 3.09 0.02 1 117 . 15 PHE HB3 H 3.09 0.02 1 118 . 15 PHE C C 179.1 0.2 1 119 . 15 PHE CA C 60.4 0.2 1 120 . 15 PHE CB C 38.3 0.2 1 121 . 15 PHE N N 127.2 0.2 1 122 . 16 CYS H H 8.47 0.02 1 123 . 16 CYS HA H 4.25 0.02 1 124 . 16 CYS HB2 H 3.19 0.02 1 125 . 16 CYS HB3 H 3.19 0.02 1 126 . 16 CYS C C 174.9 0.2 1 127 . 16 CYS CA C 59.4 0.2 1 128 . 16 CYS CB C 29.2 0.2 1 129 . 16 CYS N N 114.4 0.2 1 130 . 17 GLN H H 8.19 0.02 1 131 . 17 GLN HA H 4.29 0.02 1 132 . 17 GLN HB2 H 2.45 0.02 2 133 . 17 GLN HB3 H 2.23 0.02 2 134 . 17 GLN HG2 H 2.55 0.02 2 135 . 17 GLN HG3 H 2.46 0.02 2 136 . 17 GLN C C 176.7 0.2 1 137 . 17 GLN CA C 56.1 0.2 1 138 . 17 GLN CB C 30.0 0.2 1 139 . 17 GLN CG C 35.7 0.2 1 140 . 17 GLN N N 120.7 0.2 1 141 . 18 LEU H H 7.44 0.02 1 142 . 18 LEU HA H 3.95 0.02 1 143 . 18 LEU HB2 H 1.60 0.02 2 144 . 18 LEU HB3 H 1.10 0.02 2 145 . 18 LEU HG H 1.12 0.02 1 146 . 18 LEU HD1 H 0.71 0.02 2 147 . 18 LEU HD2 H 0.68 0.02 2 148 . 18 LEU C C 175.0 0.2 1 149 . 18 LEU CA C 56.3 0.2 1 150 . 18 LEU CB C 41.7 0.2 1 151 . 18 LEU CG C 27.3 0.2 1 152 . 18 LEU CD1 C 23.3 0.2 2 153 . 18 LEU CD2 C 25.9 0.2 2 154 . 18 LEU N N 122.1 0.2 1 155 . 19 GLY H H 7.90 0.02 1 156 . 19 GLY HA2 H 4.31 0.02 2 157 . 19 GLY HA3 H 3.54 0.02 2 158 . 19 GLY C C 171.6 0.2 1 159 . 19 GLY CA C 44.9 0.2 1 160 . 19 GLY N N 116.5 0.2 1 161 . 20 LEU H H 8.21 0.02 1 162 . 20 LEU HA H 4.68 0.02 1 163 . 20 LEU HB2 H 1.58 0.02 2 164 . 20 LEU HB3 H 1.20 0.02 2 165 . 20 LEU HG H 1.33 0.02 1 166 . 20 LEU HD1 H 0.63 0.02 2 167 . 20 LEU HD2 H 0.64 0.02 2 168 . 20 LEU C C 175.5 0.2 1 169 . 20 LEU CA C 54.0 0.2 1 170 . 20 LEU CB C 47.0 0.2 1 171 . 20 LEU CG C 26.8 0.2 1 172 . 20 LEU CD1 C 25.9 0.2 2 173 . 20 LEU CD2 C 25.2 0.2 2 174 . 20 LEU N N 123.8 0.2 1 175 . 21 ASP H H 9.11 0.02 1 176 . 21 ASP HA H 4.80 0.02 1 177 . 21 ASP HB2 H 2.61 0.02 1 178 . 21 ASP HB3 H 2.61 0.02 1 179 . 21 ASP C C 177.0 0.2 1 180 . 21 ASP CA C 52.7 0.2 1 181 . 21 ASP CB C 42.2 0.2 1 182 . 21 ASP N N 124.8 0.2 1 183 . 22 THR H H 8.29 0.02 1 184 . 22 THR HA H 3.58 0.02 1 185 . 22 THR HB H 3.65 0.02 1 186 . 22 THR HG2 H 0.69 0.02 1 187 . 22 THR C C 175.0 0.2 1 188 . 22 THR CA C 65.6 0.2 1 189 . 22 THR CB C 69.2 0.2 1 190 . 22 THR CG2 C 21.8 0.2 1 191 . 22 THR N N 113.0 0.2 1 192 . 23 PHE H H 8.29 0.02 1 193 . 23 PHE HA H 4.81 0.02 1 194 . 23 PHE HB2 H 3.40 0.02 2 195 . 23 PHE HB3 H 3.04 0.02 2 196 . 23 PHE HD1 H 7.27 0.02 1 197 . 23 PHE HD2 H 7.27 0.02 1 198 . 23 PHE HE1 H 7.35 0.02 1 199 . 23 PHE HE2 H 7.35 0.02 1 200 . 23 PHE C C 175.7 0.2 1 201 . 23 PHE CA C 57.5 0.2 1 202 . 23 PHE CB C 38.9 0.2 1 203 . 23 PHE CD1 C 132.0 0.2 1 204 . 23 PHE CD2 C 132.0 0.2 1 205 . 23 PHE CE1 C 131.7 0.2 1 206 . 23 PHE CE2 C 131.7 0.2 1 207 . 23 PHE N N 117.8 0.2 1 208 . 24 GLU H H 7.65 0.02 1 209 . 24 GLU HA H 4.47 0.02 1 210 . 24 GLU HB2 H 1.97 0.02 1 211 . 24 GLU HB3 H 1.97 0.02 1 212 . 24 GLU HG2 H 2.19 0.02 2 213 . 24 GLU HG3 H 2.08 0.02 2 214 . 24 GLU C C 175.4 0.2 1 215 . 24 GLU CA C 56.8 0.2 1 216 . 24 GLU CB C 33.0 0.2 1 217 . 24 GLU CG C 37.0 0.2 1 218 . 24 GLU N N 121.9 0.2 1 219 . 25 THR H H 8.20 0.02 1 220 . 25 THR HA H 5.10 0.02 1 221 . 25 THR HB H 3.78 0.02 1 222 . 25 THR HG2 H 0.81 0.02 1 223 . 25 THR C C 174.4 0.2 1 224 . 25 THR CA C 61.6 0.2 1 225 . 25 THR CB C 71.1 0.2 1 226 . 25 THR CG2 C 22.0 0.2 1 227 . 25 THR N N 119.1 0.2 1 228 . 26 LYS H H 8.75 0.02 1 229 . 26 LYS HA H 4.63 0.02 1 230 . 26 LYS HB2 H 1.65 0.02 2 231 . 26 LYS HB3 H 1.27 0.02 2 232 . 26 LYS HG2 H 1.31 0.02 2 233 . 26 LYS HG3 H 1.12 0.02 2 234 . 26 LYS HD2 H 1.52 0.02 2 235 . 26 LYS HD3 H 1.44 0.02 2 236 . 26 LYS HE2 H 2.95 0.02 1 237 . 26 LYS HE3 H 2.95 0.02 1 238 . 26 LYS C C 172.5 0.2 1 239 . 26 LYS CA C 55.0 0.2 1 240 . 26 LYS CB C 37.8 0.2 1 241 . 26 LYS CG C 26.5 0.2 1 242 . 26 LYS CD C 29.7 0.2 1 243 . 26 LYS CE C 42.2 0.2 1 244 . 26 LYS N N 124.4 0.2 1 245 . 27 TYR H H 7.91 0.02 1 246 . 27 TYR HA H 5.26 0.02 1 247 . 27 TYR HB2 H 2.87 0.02 2 248 . 27 TYR HB3 H 2.57 0.02 2 249 . 27 TYR HD1 H 6.70 0.02 1 250 . 27 TYR HD2 H 6.70 0.02 1 251 . 27 TYR HE1 H 6.24 0.02 1 252 . 27 TYR HE2 H 6.24 0.02 1 253 . 27 TYR C C 175.9 0.2 1 254 . 27 TYR CA C 57.3 0.2 1 255 . 27 TYR CB C 39.5 0.2 1 256 . 27 TYR CD1 C 132.8 0.2 1 257 . 27 TYR CD2 C 132.8 0.2 1 258 . 27 TYR CE1 C 116.1 0.2 1 259 . 27 TYR CE2 C 116.1 0.2 1 260 . 27 TYR N N 119.8 0.2 1 261 . 28 ILE H H 8.68 0.02 1 262 . 28 ILE HA H 4.93 0.02 1 263 . 28 ILE HB H 1.89 0.02 1 264 . 28 ILE HG12 H 1.15 0.02 2 265 . 28 ILE HG13 H 1.01 0.02 2 266 . 28 ILE HG2 H 0.74 0.02 1 267 . 28 ILE HD1 H 0.61 0.02 1 268 . 28 ILE C C 173.8 0.2 1 269 . 28 ILE CA C 59.4 0.2 1 270 . 28 ILE CB C 42.8 0.2 1 271 . 28 ILE CG1 C 25.4 0.2 1 272 . 28 ILE CG2 C 18.3 0.2 1 273 . 28 ILE CD1 C 14.4 0.2 1 274 . 28 ILE N N 115.2 0.2 1 275 . 29 THR H H 8.97 0.02 1 276 . 29 THR HA H 5.51 0.02 1 277 . 29 THR HB H 3.74 0.02 1 278 . 29 THR HG2 H 0.73 0.02 1 279 . 29 THR C C 173.2 0.2 1 280 . 29 THR CA C 61.0 0.2 1 281 . 29 THR CB C 69.9 0.2 1 282 . 29 THR CG2 C 22.5 0.2 1 283 . 29 THR N N 121.5 0.2 1 284 . 30 MET H H 8.70 0.02 1 285 . 30 MET HA H 4.77 0.02 1 286 . 30 MET HB2 H 2.17 0.02 1 287 . 30 MET HB3 H 2.17 0.02 1 288 . 30 MET HG2 H 2.68 0.02 2 289 . 30 MET HG3 H 1.89 0.02 2 290 . 30 MET HE H 1.20 0.02 1 291 . 30 MET C C 173.7 0.2 1 292 . 30 MET CA C 54.6 0.2 1 293 . 30 MET CB C 40.4 0.2 1 294 . 30 MET CG C 32.4 0.2 1 295 . 30 MET CE C 16.7 0.2 1 296 . 30 MET N N 121.9 0.2 1 297 . 31 PHE H H 8.85 0.02 1 298 . 31 PHE HA H 5.40 0.02 1 299 . 31 PHE HB2 H 2.43 0.02 2 300 . 31 PHE HB3 H 2.24 0.02 2 301 . 31 PHE HD1 H 6.84 0.02 1 302 . 31 PHE HD2 H 6.84 0.02 1 303 . 31 PHE HE1 H 6.92 0.02 1 304 . 31 PHE HE2 H 6.92 0.02 1 305 . 31 PHE C C 174.4 0.2 1 306 . 31 PHE CA C 55.8 0.2 1 307 . 31 PHE CB C 42.6 0.2 1 308 . 31 PHE CD1 C 132.1 0.2 1 309 . 31 PHE CD2 C 132.1 0.2 1 310 . 31 PHE CE1 C 129.8 0.2 1 311 . 31 PHE CE2 C 129.8 0.2 1 312 . 31 PHE N N 117.9 0.2 1 313 . 32 GLY H H 7.81 0.02 1 314 . 32 GLY HA2 H 3.90 0.02 2 315 . 32 GLY HA3 H 3.24 0.02 2 316 . 32 GLY C C 170.6 0.2 1 317 . 32 GLY CA C 45.4 0.2 1 318 . 32 GLY N N 100.3 0.2 1 319 . 33 MET H H 9.29 0.02 1 320 . 33 MET HA H 5.48 0.02 1 321 . 33 MET HB3 H 2.25 0.02 2 322 . 33 MET HG2 H 2.64 0.02 2 323 . 33 MET HG3 H 2.34 0.02 2 324 . 33 MET HE H 2.24 0.02 1 325 . 33 MET C C 175.3 0.2 1 326 . 33 MET CA C 53.9 0.2 1 327 . 33 MET CB C 37.8 0.2 1 328 . 33 MET CG C 33.1 0.2 1 329 . 33 MET CE C 19.1 0.2 1 330 . 33 MET N N 120.9 0.2 1 331 . 34 LEU H H 8.93 0.02 1 332 . 34 LEU HA H 3.85 0.02 1 333 . 34 LEU HB2 H 1.87 0.02 1 334 . 34 LEU HB3 H 1.87 0.02 1 335 . 34 LEU HG H 1.24 0.02 1 336 . 34 LEU HD1 H 0.76 0.02 2 337 . 34 LEU HD2 H 0.69 0.02 2 338 . 34 LEU C C 174.6 0.2 1 339 . 34 LEU CA C 56.2 0.2 1 340 . 34 LEU CB C 42.9 0.2 1 341 . 34 LEU CG C 28.5 0.2 1 342 . 34 LEU CD1 C 26.4 0.2 2 343 . 34 LEU CD2 C 25.8 0.2 2 344 . 34 LEU N N 129.8 0.2 1 345 . 35 VAL H H 8.91 0.02 1 346 . 35 VAL HA H 3.73 0.02 1 347 . 35 VAL HB H 1.54 0.02 1 348 . 35 VAL HG1 H 0.70 0.02 2 349 . 35 VAL HG2 H 0.66 0.02 2 350 . 35 VAL C C 174.7 0.2 1 351 . 35 VAL CA C 65.5 0.2 1 352 . 35 VAL CB C 33.1 0.2 1 353 . 35 VAL CG1 C 21.3 0.2 2 354 . 35 VAL CG2 C 21.8 0.2 2 355 . 35 VAL N N 127.9 0.2 1 356 . 36 SER H H 7.64 0.02 1 357 . 36 SER HA H 4.99 0.02 1 358 . 36 SER HB2 H 3.97 0.02 2 359 . 36 SER HB3 H 3.68 0.02 2 360 . 36 SER C C 171.5 0.2 1 361 . 36 SER CA C 56.4 0.2 1 362 . 36 SER CB C 66.2 0.2 1 363 . 36 SER N N 112.0 0.2 1 364 . 37 CYS H H 8.78 0.02 1 365 . 37 CYS HA H 5.10 0.02 1 366 . 37 CYS HB2 H 2.31 0.02 1 367 . 37 CYS HB3 H 2.31 0.02 1 368 . 37 CYS C C 171.5 0.2 1 369 . 37 CYS CA C 57.4 0.2 1 370 . 37 CYS CB C 30.8 0.2 1 371 . 37 CYS N N 118.4 0.2 1 372 . 38 SER H H 8.52 0.02 1 373 . 38 SER HA H 4.81 0.02 1 374 . 38 SER HB2 H 3.94 0.02 2 375 . 38 SER HB3 H 3.84 0.02 2 376 . 38 SER C C 175.7 0.2 1 377 . 38 SER CA C 55.9 0.2 1 378 . 38 SER CB C 65.7 0.2 1 379 . 38 SER N N 115.8 0.2 1 380 . 39 PHE H H 9.14 0.02 1 381 . 39 PHE HA H 4.64 0.02 1 382 . 39 PHE HB2 H 3.36 0.02 2 383 . 39 PHE HB3 H 2.61 0.02 2 384 . 39 PHE HD1 H 7.05 0.02 1 385 . 39 PHE HD2 H 7.05 0.02 1 386 . 39 PHE C C 176.4 0.2 1 387 . 39 PHE CA C 57.8 0.2 1 388 . 39 PHE CB C 39.5 0.2 1 389 . 39 PHE CD1 C 132.3 0.2 1 390 . 39 PHE CD2 C 132.3 0.2 1 391 . 39 PHE N N 127.0 0.2 1 392 . 40 ASP H H 7.80 0.02 1 393 . 40 ASP HA H 4.25 0.02 1 394 . 40 ASP HB2 H 2.67 0.02 2 395 . 40 ASP HB3 H 2.42 0.02 2 396 . 40 ASP C C 177.0 0.2 1 397 . 40 ASP CA C 57.2 0.2 1 398 . 40 ASP CB C 41.9 0.2 1 399 . 40 ASP N N 119.1 0.2 1 400 . 41 LYS H H 8.86 0.02 1 401 . 41 LYS HA H 4.31 0.02 1 402 . 41 LYS HB2 H 1.04 0.02 2 403 . 41 LYS HB3 H 0.92 0.02 2 404 . 41 LYS HG2 H 0.67 0.02 2 405 . 41 LYS HG3 H 0.52 0.02 2 406 . 41 LYS HD2 H 1.01 0.02 1 407 . 41 LYS HD3 H 1.01 0.02 1 408 . 41 LYS HE2 H 2.05 0.02 1 409 . 41 LYS HE3 H 2.05 0.02 1 410 . 41 LYS C C 175.2 0.2 1 411 . 41 LYS CA C 52.5 0.2 1 412 . 41 LYS CB C 30.3 0.2 1 413 . 41 LYS CG C 24.1 0.2 1 414 . 41 LYS CD C 28.2 0.2 1 415 . 41 LYS CE C 41.5 0.2 1 416 . 41 LYS N N 121.7 0.2 1 417 . 42 PRO HA H 4.14 0.02 1 418 . 42 PRO HB2 H 2.21 0.02 2 419 . 42 PRO HB3 H 1.82 0.02 2 420 . 42 PRO HG2 H 1.94 0.02 1 421 . 42 PRO HG3 H 1.94 0.02 1 422 . 42 PRO HD2 H 3.65 0.02 2 423 . 42 PRO HD3 H 3.53 0.02 2 424 . 42 PRO C C 179.0 0.2 1 425 . 42 PRO CA C 64.8 0.2 1 426 . 42 PRO CB C 32.1 0.2 1 427 . 42 PRO CG C 27.5 0.2 1 428 . 42 PRO CD C 50.5 0.2 1 429 . 43 ALA H H 7.53 0.02 1 430 . 43 ALA HA H 4.33 0.02 1 431 . 43 ALA HB H 1.42 0.02 1 432 . 43 ALA C C 177.3 0.2 1 433 . 43 ALA CA C 53.5 0.2 1 434 . 43 ALA CB C 20.7 0.2 1 435 . 43 ALA N N 115.2 0.2 1 436 . 44 PHE H H 6.65 0.02 1 437 . 44 PHE HA H 4.57 0.02 1 438 . 44 PHE HB2 H 2.30 0.02 2 439 . 44 PHE HB3 H 2.19 0.02 2 440 . 44 PHE HD1 H 6.39 0.02 1 441 . 44 PHE HD2 H 6.39 0.02 1 442 . 44 PHE HE1 H 7.19 0.02 1 443 . 44 PHE HE2 H 7.19 0.02 1 444 . 44 PHE HZ H 6.87 0.02 1 445 . 44 PHE C C 171.4 0.2 1 446 . 44 PHE CA C 55.3 0.2 1 447 . 44 PHE CB C 39.5 0.2 1 448 . 44 PHE CD1 C 132.6 0.2 1 449 . 44 PHE CD2 C 132.6 0.2 1 450 . 44 PHE CE1 C 130.9 0.2 1 451 . 44 PHE CE2 C 130.9 0.2 1 452 . 44 PHE CZ C 129.3 0.2 1 453 . 44 PHE N N 110.6 0.2 1 454 . 45 ILE H H 8.97 0.02 1 455 . 45 ILE HA H 3.88 0.02 1 456 . 45 ILE HB H 1.30 0.02 1 457 . 45 ILE HG12 H 0.64 0.02 2 458 . 45 ILE HG13 H 0.41 0.02 2 459 . 45 ILE HG2 H -0.36 0.02 1 460 . 45 ILE HD1 H 0.34 0.02 1 461 . 45 ILE C C 175.1 0.2 1 462 . 45 ILE CA C 60.7 0.2 1 463 . 45 ILE CB C 40.0 0.2 1 464 . 45 ILE CG1 C 30.1 0.2 1 465 . 45 ILE CG2 C 20.3 0.2 1 466 . 45 ILE CD1 C 14.6 0.2 1 467 . 45 ILE N N 122.0 0.2 1 468 . 46 SER H H 7.71 0.02 1 469 . 46 SER HA H 5.31 0.02 1 470 . 46 SER HB2 H 3.84 0.02 2 471 . 46 SER HB3 H 3.81 0.02 2 472 . 46 SER C C 172.1 0.2 1 473 . 46 SER CA C 56.8 0.2 1 474 . 46 SER CB C 65.9 0.2 1 475 . 46 SER N N 119.9 0.2 1 476 . 47 PHE H H 9.28 0.02 1 477 . 47 PHE HA H 5.03 0.02 1 478 . 47 PHE HB2 H 2.39 0.02 2 479 . 47 PHE HB3 H 2.06 0.02 2 480 . 47 PHE HD1 H 6.88 0.02 1 481 . 47 PHE HD2 H 6.88 0.02 1 482 . 47 PHE HE1 H 7.21 0.02 1 483 . 47 PHE HE2 H 7.21 0.02 1 484 . 47 PHE C C 175.4 0.2 1 485 . 47 PHE CA C 56.3 0.2 1 486 . 47 PHE CB C 45.3 0.2 1 487 . 47 PHE CD1 C 132.0 0.2 1 488 . 47 PHE CD2 C 132.0 0.2 1 489 . 47 PHE CE1 C 130.7 0.2 1 490 . 47 PHE CE2 C 130.7 0.2 1 491 . 47 PHE N N 120.7 0.2 1 492 . 48 VAL H H 8.12 0.02 1 493 . 48 VAL HA H 4.35 0.02 1 494 . 48 VAL HB H 1.93 0.02 1 495 . 48 VAL HG1 H 0.79 0.02 2 496 . 48 VAL HG2 H 0.37 0.02 2 497 . 48 VAL C C 175.2 0.2 1 498 . 48 VAL CA C 62.4 0.2 1 499 . 48 VAL CB C 33.0 0.2 1 500 . 48 VAL CG1 C 23.1 0.2 2 501 . 48 VAL CG2 C 21.6 0.2 2 502 . 48 VAL N N 118.8 0.2 1 503 . 49 PHE H H 8.13 0.02 1 504 . 49 PHE HA H 5.37 0.02 1 505 . 49 PHE HB2 H 1.94 0.02 2 506 . 49 PHE HB3 H 1.31 0.02 2 507 . 49 PHE HD1 H 6.45 0.02 1 508 . 49 PHE HD2 H 6.45 0.02 1 509 . 49 PHE HE1 H 6.57 0.02 1 510 . 49 PHE HE2 H 6.57 0.02 1 511 . 49 PHE HZ H 5.98 0.02 1 512 . 49 PHE C C 175.2 0.2 1 513 . 49 PHE CA C 55.5 0.2 1 514 . 49 PHE CB C 45.4 0.2 1 515 . 49 PHE CD1 C 131.4 0.2 1 516 . 49 PHE CD2 C 131.4 0.2 1 517 . 49 PHE CE1 C 131.3 0.2 1 518 . 49 PHE CE2 C 131.3 0.2 1 519 . 49 PHE CZ C 129.0 0.2 1 520 . 49 PHE N N 124.4 0.2 1 521 . 50 SER H H 8.15 0.02 1 522 . 50 SER HA H 4.54 0.02 1 523 . 50 SER C C 174.9 0.2 1 524 . 50 SER CA C 58.3 0.2 1 525 . 50 SER CB C 66.0 0.2 1 526 . 50 SER N N 106.8 0.2 1 527 . 51 ASP H H 9.81 0.02 1 528 . 51 ASP HA H 5.32 0.02 1 529 . 51 ASP HB2 H 3.61 0.02 2 530 . 51 ASP HB3 H 3.39 0.02 2 531 . 51 ASP C C 177.2 0.2 1 532 . 51 ASP CA C 53.2 0.2 1 533 . 51 ASP CB C 41.0 0.2 1 534 . 51 ASP N N 128.7 0.2 1 535 . 52 PHE H H 9.44 0.02 1 536 . 52 PHE HA H 3.92 0.02 1 537 . 52 PHE C C 173.7 0.2 1 538 . 52 PHE CA C 61.2 0.2 1 539 . 52 PHE CB C 36.6 0.2 1 540 . 52 PHE N N 114.2 0.2 1 541 . 53 THR H H 8.37 0.02 1 542 . 53 THR HA H 4.92 0.02 1 543 . 53 THR HB H 4.29 0.02 1 544 . 53 THR HG2 H 1.25 0.02 1 545 . 53 THR C C 172.3 0.2 1 546 . 53 THR CA C 61.4 0.2 1 547 . 53 THR CB C 71.5 0.2 1 548 . 53 THR CG2 C 21.7 0.2 1 549 . 53 THR N N 111.8 0.2 1 550 . 54 LYS H H 8.21 0.02 1 551 . 54 LYS HA H 5.60 0.02 1 552 . 54 LYS HB2 H 1.55 0.02 1 553 . 54 LYS HB3 H 1.55 0.02 1 554 . 54 LYS C C 176.8 0.2 1 555 . 54 LYS CA C 55.1 0.2 1 556 . 54 LYS CB C 36.9 0.2 1 557 . 54 LYS N N 115.9 0.2 1 558 . 55 ASN H H 8.66 0.02 1 559 . 55 ASN HA H 4.35 0.02 1 560 . 55 ASN HB2 H 1.61 0.02 2 561 . 55 ASN HB3 H 1.03 0.02 2 562 . 55 ASN C C 174.8 0.2 1 563 . 55 ASN CA C 52.8 0.2 1 564 . 55 ASN CB C 41.4 0.2 1 565 . 55 ASN N N 118.6 0.2 1 566 . 56 ASP H H 8.73 0.02 1 567 . 56 ASP HA H 4.78 0.02 1 568 . 56 ASP HB2 H 2.95 0.02 2 569 . 56 ASP HB3 H 2.45 0.02 2 570 . 56 ASP C C 175.5 0.2 1 571 . 56 ASP CA C 55.8 0.2 1 572 . 56 ASP CB C 41.0 0.2 1 573 . 56 ASP N N 126.7 0.2 1 574 . 57 ILE H H 8.37 0.02 1 575 . 57 ILE HA H 3.90 0.02 1 576 . 57 ILE HB H 1.64 0.02 1 577 . 57 ILE HG12 H 1.66 0.02 2 578 . 57 ILE HG13 H 1.13 0.02 2 579 . 57 ILE HG2 H 0.67 0.02 1 580 . 57 ILE HD1 H 0.85 0.02 1 581 . 57 ILE C C 172.9 0.2 1 582 . 57 ILE CA C 61.9 0.2 1 583 . 57 ILE CB C 39.0 0.2 1 584 . 57 ILE CG1 C 29.3 0.2 1 585 . 57 ILE CG2 C 16.5 0.2 1 586 . 57 ILE CD1 C 15.8 0.2 1 587 . 57 ILE N N 124.9 0.2 1 588 . 58 VAL H H 8.00 0.02 1 589 . 58 VAL HA H 3.87 0.02 1 590 . 58 VAL HB H 2.13 0.02 1 591 . 58 VAL HG1 H 1.10 0.02 2 592 . 58 VAL HG2 H 1.03 0.02 2 593 . 58 VAL C C 175.8 0.2 1 594 . 58 VAL CA C 65.6 0.2 1 595 . 58 VAL CB C 30.7 0.2 1 596 . 58 VAL CG1 C 22.4 0.2 2 597 . 58 VAL CG2 C 22.6 0.2 2 598 . 58 VAL N N 128.5 0.2 1 599 . 59 GLN H H 8.68 0.02 1 600 . 59 GLN HA H 4.98 0.02 1 601 . 59 GLN HB2 H 2.54 0.02 2 602 . 59 GLN HB3 H 2.28 0.02 2 603 . 59 GLN HG2 H 2.79 0.02 2 604 . 59 GLN HG3 H 2.51 0.02 2 605 . 59 GLN C C 175.2 0.2 1 606 . 59 GLN CA C 54.9 0.2 1 607 . 59 GLN CB C 34.4 0.2 1 608 . 59 GLN CG C 33.4 0.2 1 609 . 59 GLN N N 123.0 0.2 1 610 . 60 ASN H H 9.01 0.02 1 611 . 60 ASN HA H 4.76 0.02 1 612 . 60 ASN HB2 H 3.19 0.02 2 613 . 60 ASN HB3 H 2.63 0.02 2 614 . 60 ASN C C 173.6 0.2 1 615 . 60 ASN CA C 54.2 0.2 1 616 . 60 ASN CB C 41.4 0.2 1 617 . 60 ASN N N 118.1 0.2 1 618 . 61 TYR H H 8.47 0.02 1 619 . 61 TYR HA H 4.02 0.02 1 620 . 61 TYR HB2 H 3.17 0.02 2 621 . 61 TYR HB3 H 2.43 0.02 2 622 . 61 TYR HD1 H 6.76 0.02 1 623 . 61 TYR HD2 H 6.76 0.02 1 624 . 61 TYR HE1 H 6.88 0.02 1 625 . 61 TYR HE2 H 6.88 0.02 1 626 . 61 TYR C C 174.0 0.2 1 627 . 61 TYR CA C 59.9 0.2 1 628 . 61 TYR CB C 40.2 0.2 1 629 . 61 TYR CD1 C 132.7 0.2 1 630 . 61 TYR CD2 C 132.7 0.2 1 631 . 61 TYR CE1 C 119.9 0.2 1 632 . 61 TYR CE2 C 119.9 0.2 1 633 . 61 TYR N N 119.4 0.2 1 634 . 62 LEU H H 4.97 0.02 1 635 . 62 LEU HA H 4.27 0.02 1 636 . 62 LEU HB2 H 1.57 0.02 1 637 . 62 LEU HB3 H 1.57 0.02 1 638 . 62 LEU HG H 1.78 0.02 1 639 . 62 LEU HD1 H 0.66 0.02 2 640 . 62 LEU HD2 H 0.62 0.02 2 641 . 62 LEU C C 172.1 0.2 1 642 . 62 LEU CA C 52.6 0.2 1 643 . 62 LEU CB C 41.0 0.2 1 644 . 62 LEU CG C 26.3 0.2 1 645 . 62 LEU CD1 C 25.0 0.2 2 646 . 62 LEU CD2 C 21.9 0.2 2 647 . 62 LEU N N 122.4 0.2 1 648 . 63 TYR H H 8.77 0.02 1 649 . 63 TYR HA H 4.00 0.02 1 650 . 63 TYR HB2 H 2.66 0.02 2 651 . 63 TYR HB3 H 2.02 0.02 2 652 . 63 TYR HD1 H 6.43 0.02 1 653 . 63 TYR HD2 H 6.43 0.02 1 654 . 63 TYR HE1 H 6.28 0.02 1 655 . 63 TYR HE2 H 6.28 0.02 1 656 . 63 TYR C C 174.6 0.2 1 657 . 63 TYR CA C 59.0 0.2 1 658 . 63 TYR CB C 41.5 0.2 1 659 . 63 TYR CD1 C 132.5 0.2 1 660 . 63 TYR CD2 C 132.5 0.2 1 661 . 63 TYR CE1 C 117.4 0.2 1 662 . 63 TYR CE2 C 117.4 0.2 1 663 . 63 TYR N N 130.2 0.2 1 664 . 64 ASP H H 9.46 0.02 1 665 . 64 ASP HA H 4.70 0.02 1 666 . 64 ASP C C 177.7 0.2 1 667 . 64 ASP CA C 55.2 0.2 1 668 . 64 ASP CB C 40.0 0.2 1 669 . 64 ASP N N 125.0 0.2 1 670 . 65 ARG H H 7.81 0.02 1 671 . 65 ARG HA H 3.99 0.02 1 672 . 65 ARG C C 173.8 0.2 1 673 . 65 ARG CA C 56.1 0.2 1 674 . 65 ARG CB C 29.2 0.2 1 675 . 65 ARG N N 116.3 0.2 1 676 . 66 TYR H H 6.51 0.02 1 677 . 66 TYR HA H 4.98 0.02 1 678 . 66 TYR HB2 H 3.47 0.02 2 679 . 66 TYR HB3 H 2.47 0.02 2 680 . 66 TYR C C 173.3 0.2 1 681 . 66 TYR CA C 56.1 0.2 1 682 . 66 TYR CB C 39.1 0.2 1 683 . 66 TYR N N 117.3 0.2 1 684 . 67 LEU H H 8.73 0.02 1 685 . 67 LEU HA H 4.54 0.02 1 686 . 67 LEU HB2 H 2.23 0.02 1 687 . 67 LEU HB3 H 2.23 0.02 1 688 . 67 LEU HG H 1.71 0.02 1 689 . 67 LEU HD1 H 0.90 0.02 2 690 . 67 LEU HD2 H 0.86 0.02 2 691 . 67 LEU C C 176.1 0.2 1 692 . 67 LEU CA C 52.6 0.2 1 693 . 67 LEU CB C 41.3 0.2 1 694 . 67 LEU CG C 26.2 0.2 1 695 . 67 LEU CD1 C 23.1 0.2 2 696 . 67 LEU CD2 C 25.7 0.2 2 697 . 67 LEU N N 120.4 0.2 1 698 . 68 ILE H H 9.09 0.02 1 699 . 68 ILE HA H 2.89 0.02 1 700 . 68 ILE HB H 2.32 0.02 1 701 . 68 ILE HG12 H 1.34 0.02 2 702 . 68 ILE HG13 H 0.44 0.02 2 703 . 68 ILE HG2 H 0.83 0.02 1 704 . 68 ILE HD1 H 0.54 0.02 1 705 . 68 ILE C C 175.5 0.2 1 706 . 68 ILE CA C 69.6 0.2 1 707 . 68 ILE CB C 35.9 0.2 1 708 . 68 ILE CG1 C 29.7 0.2 1 709 . 68 ILE CG2 C 18.3 0.2 1 710 . 68 ILE CD1 C 13.5 0.2 1 711 . 68 ILE N N 118.3 0.2 1 712 . 69 ASP H H 9.03 0.02 1 713 . 69 ASP HA H 4.62 0.02 1 714 . 69 ASP HB2 H 2.74 0.02 2 715 . 69 ASP HB3 H 2.31 0.02 2 716 . 69 ASP C C 176.5 0.2 1 717 . 69 ASP CA C 53.1 0.2 1 718 . 69 ASP CB C 43.1 0.2 1 719 . 69 ASP N N 123.8 0.2 1 720 . 70 TYR H H 7.37 0.02 1 721 . 70 TYR HA H 3.07 0.02 1 722 . 70 TYR HB2 H 2.19 0.02 1 723 . 70 TYR HB3 H 2.19 0.02 1 724 . 70 TYR HD1 H 5.90 0.02 1 725 . 70 TYR HD2 H 5.90 0.02 1 726 . 70 TYR HE1 H 6.43 0.02 1 727 . 70 TYR HE2 H 6.43 0.02 1 728 . 70 TYR C C 176.5 0.2 1 729 . 70 TYR CA C 59.4 0.2 1 730 . 70 TYR CB C 38.0 0.2 1 731 . 70 TYR CD1 C 131.9 0.2 1 732 . 70 TYR CD2 C 131.9 0.2 1 733 . 70 TYR CE1 C 117.8 0.2 1 734 . 70 TYR CE2 C 117.8 0.2 1 735 . 70 TYR N N 121.0 0.2 1 736 . 71 GLU H H 8.53 0.02 1 737 . 71 GLU HA H 4.02 0.02 1 738 . 71 GLU HB2 H 2.01 0.02 2 739 . 71 GLU HB3 H 1.88 0.02 2 740 . 71 GLU HG2 H 2.19 0.02 1 741 . 71 GLU HG3 H 2.19 0.02 1 742 . 71 GLU C C 176.5 0.2 1 743 . 71 GLU CA C 57.8 0.2 1 744 . 71 GLU CB C 29.3 0.2 1 745 . 71 GLU CG C 36.6 0.2 1 746 . 71 GLU N N 112.7 0.2 1 747 . 72 ASN H H 7.62 0.02 1 748 . 72 ASN HA H 5.04 0.02 1 749 . 72 ASN HB2 H 3.38 0.02 2 750 . 72 ASN HB3 H 2.68 0.02 2 751 . 72 ASN C C 173.7 0.2 1 752 . 72 ASN CA C 50.8 0.2 1 753 . 72 ASN CB C 37.5 0.2 1 754 . 72 ASN N N 119.2 0.2 1 755 . 73 LYS H H 8.11 0.02 1 756 . 73 LYS HA H 4.41 0.02 1 757 . 73 LYS HB2 H 1.64 0.02 1 758 . 73 LYS HB3 H 1.64 0.02 1 759 . 73 LYS HG2 H 1.59 0.02 2 760 . 73 LYS HG3 H 1.05 0.02 2 761 . 73 LYS HD2 H 1.56 0.02 1 762 . 73 LYS HD3 H 1.56 0.02 1 763 . 73 LYS HE2 H 3.11 0.02 2 764 . 73 LYS HE3 H 2.92 0.02 2 765 . 73 LYS C C 178.6 0.2 1 766 . 73 LYS CA C 56.2 0.2 1 767 . 73 LYS CB C 34.7 0.2 1 768 . 73 LYS CG C 27.0 0.2 1 769 . 73 LYS CD C 29.2 0.2 1 770 . 73 LYS CE C 42.9 0.2 1 771 . 73 LYS N N 120.5 0.2 1 772 . 74 LEU H H 7.68 0.02 1 773 . 74 LEU HA H 4.17 0.02 1 774 . 74 LEU HB2 H 1.65 0.02 2 775 . 74 LEU HB3 H 1.40 0.02 2 776 . 74 LEU HG H 1.81 0.02 1 777 . 74 LEU HD1 H 0.86 0.02 2 778 . 74 LEU HD2 H 0.67 0.02 2 779 . 74 LEU C C 177.9 0.2 1 780 . 74 LEU CA C 55.7 0.2 1 781 . 74 LEU CB C 43.7 0.2 1 782 . 74 LEU CG C 26.6 0.2 1 783 . 74 LEU CD1 C 24.1 0.2 2 784 . 74 LEU CD2 C 27.0 0.2 2 785 . 74 LEU N N 121.8 0.2 1 786 . 75 GLU H H 9.14 0.02 1 787 . 75 GLU HA H 4.54 0.02 1 788 . 75 GLU HB2 H 2.35 0.02 2 789 . 75 GLU HB3 H 2.04 0.02 2 790 . 75 GLU HG2 H 2.51 0.02 2 791 . 75 GLU HG3 H 2.39 0.02 2 792 . 75 GLU C C 178.6 0.2 1 793 . 75 GLU CA C 56.5 0.2 1 794 . 75 GLU CB C 30.6 0.2 1 795 . 75 GLU CG C 37.3 0.2 1 796 . 75 GLU N N 121.6 0.2 1 797 . 76 LEU H H 8.80 0.02 1 798 . 76 LEU HA H 3.90 0.02 1 799 . 76 LEU HB2 H 1.80 0.02 2 800 . 76 LEU HB3 H 1.68 0.02 2 801 . 76 LEU HG H 1.68 0.02 1 802 . 76 LEU HD1 H 1.18 0.02 2 803 . 76 LEU HD2 H 0.69 0.02 2 804 . 76 LEU C C 175.7 0.2 1 805 . 76 LEU CA C 57.6 0.2 1 806 . 76 LEU CB C 41.0 0.2 1 807 . 76 LEU CG C 28.5 0.2 1 808 . 76 LEU CD1 C 25.7 0.2 2 809 . 76 LEU CD2 C 23.9 0.2 2 810 . 76 LEU N N 120.1 0.2 1 811 . 77 ASN H H 7.77 0.02 1 812 . 77 ASN HA H 5.07 0.02 1 813 . 77 ASN HB2 H 3.57 0.02 2 814 . 77 ASN HB3 H 2.75 0.02 2 815 . 77 ASN C C 175.2 0.2 1 816 . 77 ASN CA C 51.1 0.2 1 817 . 77 ASN CB C 38.3 0.2 1 818 . 77 ASN N N 112.2 0.2 1 819 . 78 GLU H H 7.80 0.02 1 820 . 78 GLU HA H 4.79 0.02 1 821 . 78 GLU HB2 H 2.55 0.02 2 822 . 78 GLU HB3 H 1.64 0.02 2 823 . 78 GLU HG2 H 2.97 0.02 2 824 . 78 GLU HG3 H 2.10 0.02 2 825 . 78 GLU C C 176.2 0.2 1 826 . 78 GLU CA C 54.3 0.2 1 827 . 78 GLU CB C 35.2 0.2 1 828 . 78 GLU CG C 37.4 0.2 1 829 . 78 GLU N N 120.3 0.2 1 830 . 79 GLY H H 7.67 0.02 1 831 . 79 GLY HA2 H 4.42 0.02 2 832 . 79 GLY HA3 H 3.47 0.02 2 833 . 79 GLY C C 168.6 0.2 1 834 . 79 GLY CA C 43.7 0.2 1 835 . 79 GLY N N 108.0 0.2 1 836 . 80 PHE H H 8.41 0.02 1 837 . 80 PHE HA H 5.62 0.02 1 838 . 80 PHE HB2 H 2.25 0.02 2 839 . 80 PHE HB3 H 2.13 0.02 2 840 . 80 PHE HD1 H 6.08 0.02 1 841 . 80 PHE HD2 H 6.08 0.02 1 842 . 80 PHE HE1 H 6.59 0.02 1 843 . 80 PHE HE2 H 6.59 0.02 1 844 . 80 PHE HZ H 6.46 0.02 1 845 . 80 PHE C C 173.0 0.2 1 846 . 80 PHE CA C 54.7 0.2 1 847 . 80 PHE CB C 40.8 0.2 1 848 . 80 PHE CD1 C 132.6 0.2 1 849 . 80 PHE CD2 C 132.6 0.2 1 850 . 80 PHE CE1 C 129.4 0.2 1 851 . 80 PHE CE2 C 129.4 0.2 1 852 . 80 PHE CZ C 129.5 0.2 1 853 . 80 PHE N N 112.4 0.2 1 854 . 81 LYS H H 7.12 0.02 1 855 . 81 LYS HA H 5.46 0.02 1 856 . 81 LYS HB2 H 1.94 0.02 2 857 . 81 LYS HB3 H 1.56 0.02 2 858 . 81 LYS HG2 H 1.51 0.02 2 859 . 81 LYS HG3 H 1.32 0.02 2 860 . 81 LYS HD2 H 1.82 0.02 2 861 . 81 LYS HD3 H 1.74 0.02 2 862 . 81 LYS HE2 H 3.05 0.02 1 863 . 81 LYS HE3 H 3.05 0.02 1 864 . 81 LYS C C 176.4 0.2 1 865 . 81 LYS CA C 53.9 0.2 1 866 . 81 LYS CB C 34.2 0.2 1 867 . 81 LYS CG C 25.2 0.2 1 868 . 81 LYS CD C 30.2 0.2 1 869 . 81 LYS CE C 42.6 0.2 1 870 . 81 LYS N N 122.0 0.2 1 871 . 82 ALA H H 9.47 0.02 1 872 . 82 ALA HA H 5.33 0.02 1 873 . 82 ALA HB H 1.32 0.02 1 874 . 82 ALA C C 175.1 0.2 1 875 . 82 ALA CA C 50.6 0.2 1 876 . 82 ALA CB C 23.6 0.2 1 877 . 82 ALA N N 130.9 0.2 1 878 . 83 ILE H H 8.86 0.02 1 879 . 83 ILE HA H 5.36 0.02 1 880 . 83 ILE HB H 1.07 0.02 1 881 . 83 ILE HG12 H 0.79 0.02 2 882 . 83 ILE HG13 H 0.62 0.02 2 883 . 83 ILE HG2 H 0.26 0.02 1 884 . 83 ILE HD1 H -0.30 0.02 1 885 . 83 ILE C C 174.2 0.2 1 886 . 83 ILE CA C 59.5 0.2 1 887 . 83 ILE CB C 41.4 0.2 1 888 . 83 ILE CG1 C 25.9 0.2 1 889 . 83 ILE CG2 C 17.6 0.2 1 890 . 83 ILE CD1 C 13.1 0.2 1 891 . 83 ILE N N 114.1 0.2 1 892 . 84 MET H H 9.16 0.02 1 893 . 84 MET HA H 4.75 0.02 1 894 . 84 MET HB2 H 2.21 0.02 2 895 . 84 MET HB3 H 2.02 0.02 2 896 . 84 MET HG2 H 2.93 0.02 2 897 . 84 MET HG3 H 2.76 0.02 2 898 . 84 MET HE H 1.52 0.02 1 899 . 84 MET C C 174.7 0.2 1 900 . 84 MET CA C 55.0 0.2 1 901 . 84 MET CB C 39.6 0.2 1 902 . 84 MET CG C 32.5 0.2 1 903 . 84 MET CE C 17.4 0.2 1 904 . 84 MET N N 121.9 0.2 1 905 . 85 TYR H H 9.51 0.02 1 906 . 85 TYR HA H 4.47 0.02 1 907 . 85 TYR C C 177.4 0.2 1 908 . 85 TYR CA C 60.0 0.2 1 909 . 85 TYR CB C 39.1 0.2 1 910 . 85 TYR N N 126.3 0.2 1 911 . 86 LYS H H 8.32 0.02 1 912 . 86 LYS HA H 4.04 0.02 1 913 . 86 LYS HB2 H 2.05 0.02 2 914 . 86 LYS HB3 H 2.00 0.02 2 915 . 86 LYS HG2 H 1.59 0.02 2 916 . 86 LYS HG3 H 1.46 0.02 2 917 . 86 LYS HD2 H 1.80 0.02 2 918 . 86 LYS HD3 H 1.74 0.02 2 919 . 86 LYS HE2 H 2.94 0.02 1 920 . 86 LYS HE3 H 2.94 0.02 1 921 . 86 LYS C C 177.4 0.2 1 922 . 86 LYS CA C 61.5 0.2 1 923 . 86 LYS CB C 32.8 0.2 1 924 . 86 LYS CG C 25.7 0.2 1 925 . 86 LYS CD C 29.1 0.2 1 926 . 86 LYS CE C 42.5 0.2 1 927 . 86 LYS N N 118.6 0.2 1 928 . 87 ASN H H 9.18 0.02 1 929 . 87 ASN HA H 4.67 0.02 1 930 . 87 ASN HB2 H 3.03 0.02 2 931 . 87 ASN HB3 H 2.96 0.02 2 932 . 87 ASN HD21 H 7.87 0.02 2 933 . 87 ASN HD22 H 7.15 0.02 2 934 . 87 ASN C C 178.3 0.2 1 935 . 87 ASN CA C 56.8 0.2 1 936 . 87 ASN CB C 35.5 0.2 1 937 . 87 ASN N N 115.1 0.2 1 938 . 87 ASN ND2 N 112.9 0.2 1 939 . 88 GLN H H 7.38 0.02 1 940 . 88 GLN HA H 4.42 0.02 1 941 . 88 GLN HB2 H 2.71 0.02 2 942 . 88 GLN HB3 H 2.05 0.02 2 943 . 88 GLN HG2 H 2.95 0.02 2 944 . 88 GLN HG3 H 2.66 0.02 2 945 . 88 GLN HE21 H 7.99 0.02 2 946 . 88 GLN HE22 H 7.49 0.02 2 947 . 88 GLN C C 179.2 0.2 1 948 . 88 GLN CA C 61.3 0.2 1 949 . 88 GLN CB C 27.9 0.2 1 950 . 88 GLN CG C 37.3 0.2 1 951 . 88 GLN N N 121.4 0.2 1 952 . 88 GLN NE2 N 114.5 0.2 1 953 . 89 PHE H H 9.20 0.02 1 954 . 89 PHE HA H 4.84 0.02 1 955 . 89 PHE HB2 H 3.32 0.02 2 956 . 89 PHE HB3 H 3.14 0.02 2 957 . 89 PHE HD1 H 7.57 0.02 1 958 . 89 PHE HD2 H 7.57 0.02 1 959 . 89 PHE C C 176.5 0.2 1 960 . 89 PHE CA C 62.1 0.2 1 961 . 89 PHE CB C 39.5 0.2 1 962 . 89 PHE CD1 C 132.3 0.2 1 963 . 89 PHE CD2 C 132.3 0.2 1 964 . 89 PHE N N 122.0 0.2 1 965 . 90 GLU H H 8.50 0.02 1 966 . 90 GLU HA H 3.94 0.02 1 967 . 90 GLU HB2 H 2.27 0.02 2 968 . 90 GLU HB3 H 2.18 0.02 2 969 . 90 GLU HG2 H 2.67 0.02 2 970 . 90 GLU HG3 H 2.49 0.02 2 971 . 90 GLU C C 179.8 0.2 1 972 . 90 GLU CA C 60.0 0.2 1 973 . 90 GLU CB C 29.4 0.2 1 974 . 90 GLU CG C 36.7 0.2 1 975 . 90 GLU N N 119.4 0.2 1 976 . 91 THR H H 7.45 0.02 1 977 . 91 THR HA H 4.08 0.02 1 978 . 91 THR HB H 4.39 0.02 1 979 . 91 THR HG2 H 1.43 0.02 1 980 . 91 THR C C 176.6 0.2 1 981 . 91 THR CA C 66.4 0.2 1 982 . 91 THR CB C 68.9 0.2 1 983 . 91 THR CG2 C 22.4 0.2 1 984 . 91 THR N N 115.5 0.2 1 985 . 92 PHE H H 7.76 0.02 1 986 . 92 PHE HA H 4.60 0.02 1 987 . 92 PHE HB2 H 3.45 0.02 2 988 . 92 PHE HB3 H 3.11 0.02 2 989 . 92 PHE HD1 H 7.26 0.02 1 990 . 92 PHE HD2 H 7.26 0.02 1 991 . 92 PHE C C 176.8 0.2 1 992 . 92 PHE CA C 60.0 0.2 1 993 . 92 PHE CB C 39.4 0.2 1 994 . 92 PHE CD1 C 132.3 0.2 1 995 . 92 PHE CD2 C 132.3 0.2 1 996 . 92 PHE N N 124.4 0.2 1 997 . 93 ASP H H 9.24 0.02 1 998 . 93 ASP HA H 4.10 0.02 1 999 . 93 ASP HB2 H 2.21 0.02 2 1000 . 93 ASP HB3 H 1.70 0.02 2 1001 . 93 ASP C C 179.3 0.2 1 1002 . 93 ASP CA C 57.1 0.2 1 1003 . 93 ASP CB C 41.6 0.2 1 1004 . 93 ASP N N 121.3 0.2 1 1005 . 94 SER H H 7.75 0.02 1 1006 . 94 SER HA H 4.12 0.02 1 1007 . 94 SER HB2 H 4.07 0.02 1 1008 . 94 SER HB3 H 4.07 0.02 1 1009 . 94 SER C C 177.3 0.2 1 1010 . 94 SER CA C 62.1 0.2 1 1011 . 94 SER CB C 62.9 0.2 1 1012 . 94 SER N N 112.2 0.2 1 1013 . 95 LYS H H 7.50 0.02 1 1014 . 95 LYS HA H 4.15 0.02 1 1015 . 95 LYS HB2 H 2.20 0.02 2 1016 . 95 LYS HB3 H 1.93 0.02 2 1017 . 95 LYS HG2 H 1.90 0.02 2 1018 . 95 LYS HG3 H 1.64 0.02 2 1019 . 95 LYS HD2 H 2.03 0.02 2 1020 . 95 LYS HD3 H 1.85 0.02 2 1021 . 95 LYS HE2 H 3.07 0.02 1 1022 . 95 LYS HE3 H 3.07 0.02 1 1023 . 95 LYS C C 180.3 0.2 1 1024 . 95 LYS CA C 59.6 0.2 1 1025 . 95 LYS CB C 33.0 0.2 1 1026 . 95 LYS CG C 26.4 0.2 1 1027 . 95 LYS CD C 30.1 0.2 1 1028 . 95 LYS CE C 42.6 0.2 1 1029 . 95 LYS N N 121.8 0.2 1 1030 . 96 LEU H H 8.05 0.02 1 1031 . 96 LEU HA H 4.07 0.02 1 1032 . 96 LEU HB2 H 1.84 0.02 2 1033 . 96 LEU HB3 H 1.52 0.02 2 1034 . 96 LEU HG H 1.33 0.02 1 1035 . 96 LEU HD1 H 0.79 0.02 2 1036 . 96 LEU HD2 H 0.61 0.02 2 1037 . 96 LEU C C 179.9 0.2 1 1038 . 96 LEU CA C 58.1 0.2 1 1039 . 96 LEU CB C 41.4 0.2 1 1040 . 96 LEU CG C 26.7 0.2 1 1041 . 96 LEU CD1 C 24.0 0.2 2 1042 . 96 LEU CD2 C 26.7 0.2 2 1043 . 96 LEU N N 120.9 0.2 1 1044 . 97 ARG H H 8.72 0.02 1 1045 . 97 ARG HA H 4.16 0.02 1 1046 . 97 ARG HB2 H 1.78 0.02 1 1047 . 97 ARG HB3 H 1.78 0.02 1 1048 . 97 ARG HG2 H 1.51 0.02 2 1049 . 97 ARG HG3 H 1.33 0.02 2 1050 . 97 ARG HD2 H 3.19 0.02 2 1051 . 97 ARG HD3 H 2.99 0.02 2 1052 . 97 ARG C C 179.1 0.2 1 1053 . 97 ARG CA C 59.4 0.2 1 1054 . 97 ARG CB C 30.1 0.2 1 1055 . 97 ARG CG C 28.7 0.2 1 1056 . 97 ARG CD C 43.4 0.2 1 1057 . 97 ARG N N 121.0 0.2 1 1058 . 98 LYS H H 7.17 0.02 1 1059 . 98 LYS HA H 4.12 0.02 1 1060 . 98 LYS HB2 H 1.95 0.02 1 1061 . 98 LYS HB3 H 1.95 0.02 1 1062 . 98 LYS HG2 H 1.71 0.02 2 1063 . 98 LYS HG3 H 1.55 0.02 2 1064 . 98 LYS HD2 H 1.74 0.02 1 1065 . 98 LYS HD3 H 1.74 0.02 1 1066 . 98 LYS HE2 H 3.02 0.02 1 1067 . 98 LYS HE3 H 3.02 0.02 1 1068 . 98 LYS C C 177.4 0.2 1 1069 . 98 LYS CA C 58.5 0.2 1 1070 . 98 LYS CB C 32.5 0.2 1 1071 . 98 LYS CG C 25.3 0.2 1 1072 . 98 LYS CD C 29.0 0.2 1 1073 . 98 LYS CE C 42.1 0.2 1 1074 . 98 LYS N N 117.2 0.2 1 1075 . 99 ILE H H 7.38 0.02 1 1076 . 99 ILE HA H 3.82 0.02 1 1077 . 99 ILE HB H 1.77 0.02 1 1078 . 99 ILE HG12 H 1.71 0.02 2 1079 . 99 ILE HG13 H 0.97 0.02 2 1080 . 99 ILE HG2 H 0.21 0.02 1 1081 . 99 ILE HD1 H 0.92 0.02 1 1082 . 99 ILE C C 176.9 0.2 1 1083 . 99 ILE CA C 63.6 0.2 1 1084 . 99 ILE CB C 39.9 0.2 1 1085 . 99 ILE CG1 C 28.0 0.2 1 1086 . 99 ILE CG2 C 16.8 0.2 1 1087 . 99 ILE CD1 C 14.9 0.2 1 1088 . 99 ILE N N 117.3 0.2 1 1089 . 100 PHE H H 8.32 0.02 1 1090 . 100 PHE HA H 4.43 0.02 1 1091 . 100 PHE HB2 H 3.21 0.02 2 1092 . 100 PHE HB3 H 2.93 0.02 2 1093 . 100 PHE HD1 H 7.39 0.02 1 1094 . 100 PHE HD2 H 7.39 0.02 1 1095 . 100 PHE C C 176.5 0.2 1 1096 . 100 PHE CA C 59.8 0.2 1 1097 . 100 PHE CB C 41.3 0.2 1 1098 . 100 PHE CD1 C 131.8 0.2 1 1099 . 100 PHE CD2 C 131.8 0.2 1 1100 . 100 PHE N N 114.7 0.2 1 1101 . 101 ASN H H 8.70 0.02 1 1102 . 101 ASN HA H 4.53 0.02 1 1103 . 101 ASN HB2 H 3.12 0.02 2 1104 . 101 ASN HB3 H 2.95 0.02 2 1105 . 101 ASN HD21 H 7.53 0.02 2 1106 . 101 ASN HD22 H 6.84 0.02 2 1107 . 101 ASN C C 173.5 0.2 1 1108 . 101 ASN CA C 55.3 0.2 1 1109 . 101 ASN CB C 37.8 0.2 1 1110 . 101 ASN N N 116.9 0.2 1 1111 . 101 ASN ND2 N 112.6 0.2 1 1112 . 102 ASN H H 7.56 0.02 1 1113 . 102 ASN HA H 4.73 0.02 1 1114 . 102 ASN HB2 H 2.71 0.02 2 1115 . 102 ASN HB3 H 2.33 0.02 2 1116 . 102 ASN HD21 H 7.40 0.02 2 1117 . 102 ASN HD22 H 6.54 0.02 2 1118 . 102 ASN C C 173.3 0.2 1 1119 . 102 ASN CA C 52.5 0.2 1 1120 . 102 ASN CB C 43.6 0.2 1 1121 . 102 ASN N N 114.6 0.2 1 1122 . 102 ASN ND2 N 110.8 0.2 1 1123 . 103 GLY H H 8.53 0.02 1 1124 . 103 GLY HA2 H 4.25 0.02 2 1125 . 103 GLY HA3 H 3.84 0.02 2 1126 . 103 GLY C C 174.8 0.2 1 1127 . 103 GLY CA C 43.6 0.2 1 1128 . 103 GLY N N 105.6 0.2 1 1129 . 104 LEU H H 10.53 0.02 1 1130 . 104 LEU HA H 3.69 0.02 1 1131 . 104 LEU HB2 H 1.93 0.02 2 1132 . 104 LEU HB3 H 1.76 0.02 2 1133 . 104 LEU HG H 1.83 0.02 1 1134 . 104 LEU HD1 H 1.20 0.02 2 1135 . 104 LEU HD2 H 0.93 0.02 2 1136 . 104 LEU C C 179.6 0.2 1 1137 . 104 LEU CA C 58.5 0.2 1 1138 . 104 LEU CB C 42.9 0.2 1 1139 . 104 LEU CG C 26.9 0.2 1 1140 . 104 LEU CD1 C 27.9 0.2 2 1141 . 104 LEU CD2 C 24.9 0.2 2 1142 . 104 LEU N N 122.6 0.2 1 1143 . 105 ARG H H 9.16 0.02 1 1144 . 105 ARG HA H 3.54 0.02 1 1145 . 105 ARG HB2 H 1.39 0.02 2 1146 . 105 ARG HB3 H 1.16 0.02 2 1147 . 105 ARG HG2 H 0.89 0.02 1 1148 . 105 ARG HG3 H 0.89 0.02 1 1149 . 105 ARG HD2 H 2.54 0.02 1 1150 . 105 ARG HD3 H 2.54 0.02 1 1151 . 105 ARG C C 179.2 0.2 1 1152 . 105 ARG CA C 59.1 0.2 1 1153 . 105 ARG CB C 30.0 0.2 1 1154 . 105 ARG CG C 27.9 0.2 1 1155 . 105 ARG CD C 43.2 0.2 1 1156 . 105 ARG N N 115.2 0.2 1 1157 . 106 ASP H H 7.29 0.02 1 1158 . 106 ASP HA H 4.44 0.02 1 1159 . 106 ASP HB2 H 2.70 0.02 2 1160 . 106 ASP HB3 H 2.64 0.02 2 1161 . 106 ASP C C 176.6 0.2 1 1162 . 106 ASP CA C 55.8 0.2 1 1163 . 106 ASP CB C 41.8 0.2 1 1164 . 106 ASP N N 115.3 0.2 1 1165 . 107 LEU H H 7.50 0.02 1 1166 . 107 LEU HA H 4.08 0.02 1 1167 . 107 LEU HB2 H 1.56 0.02 2 1168 . 107 LEU HB3 H 1.08 0.02 2 1169 . 107 LEU HG H 1.29 0.02 1 1170 . 107 LEU HD1 H 0.05 0.02 2 1171 . 107 LEU HD2 H -0.40 0.02 2 1172 . 107 LEU C C 177.9 0.2 1 1173 . 107 LEU CA C 54.9 0.2 1 1174 . 107 LEU CB C 41.3 0.2 1 1175 . 107 LEU CG C 25.5 0.2 1 1176 . 107 LEU CD1 C 21.0 0.2 2 1177 . 107 LEU CD2 C 23.7 0.2 2 1178 . 107 LEU N N 117.8 0.2 1 1179 . 108 GLN H H 7.01 0.02 1 1180 . 108 GLN HA H 4.40 0.02 1 1181 . 108 GLN HB2 H 2.45 0.02 2 1182 . 108 GLN HB3 H 2.23 0.02 2 1183 . 108 GLN HG2 H 2.64 0.02 2 1184 . 108 GLN HG3 H 2.46 0.02 2 1185 . 108 GLN C C 177.1 0.2 1 1186 . 108 GLN CA C 57.6 0.2 1 1187 . 108 GLN CB C 29.9 0.2 1 1188 . 108 GLN CG C 35.6 0.2 1 1189 . 108 GLN N N 117.4 0.2 1 1190 . 109 ASN H H 9.37 0.02 1 1191 . 109 ASN HA H 4.59 0.02 1 1192 . 109 ASN HB2 H 3.23 0.02 2 1193 . 109 ASN HB3 H 3.18 0.02 2 1194 . 109 ASN C C 177.4 0.2 1 1195 . 109 ASN CA C 54.2 0.2 1 1196 . 109 ASN CB C 39.1 0.2 1 1197 . 109 ASN N N 119.2 0.2 1 1198 . 110 GLY H H 8.50 0.02 1 1199 . 110 GLY HA2 H 4.29 0.02 2 1200 . 110 GLY HA3 H 3.80 0.02 2 1201 . 110 GLY C C 174.1 0.2 1 1202 . 110 GLY CA C 46.3 0.2 1 1203 . 110 GLY N N 110.2 0.2 1 1204 . 111 ARG H H 9.28 0.02 1 1205 . 111 ARG HA H 4.60 0.02 1 1206 . 111 ARG HB2 H 1.86 0.02 2 1207 . 111 ARG HB3 H 1.72 0.02 2 1208 . 111 ARG HG2 H 1.59 0.02 1 1209 . 111 ARG HG3 H 1.59 0.02 1 1210 . 111 ARG HD2 H 3.30 0.02 2 1211 . 111 ARG HD3 H 3.22 0.02 2 1212 . 111 ARG C C 175.9 0.2 1 1213 . 111 ARG CA C 57.0 0.2 1 1214 . 111 ARG CB C 33.1 0.2 1 1215 . 111 ARG CG C 27.6 0.2 1 1216 . 111 ARG CD C 43.4 0.2 1 1217 . 111 ARG N N 120.9 0.2 1 1218 . 112 ASP H H 9.49 0.02 1 1219 . 112 ASP HA H 5.05 0.02 1 1220 . 112 ASP HB2 H 3.61 0.02 2 1221 . 112 ASP HB3 H 2.97 0.02 2 1222 . 112 ASP C C 177.0 0.2 1 1223 . 112 ASP CA C 53.9 0.2 1 1224 . 112 ASP CB C 42.3 0.2 1 1225 . 112 ASP N N 121.7 0.2 1 1226 . 113 GLU H H 9.44 0.02 1 1227 . 113 GLU HA H 4.69 0.02 1 1228 . 113 GLU C C 177.7 0.2 1 1229 . 113 GLU CA C 57.3 0.2 1 1230 . 113 GLU CB C 29.2 0.2 1 1231 . 113 GLU N N 118.4 0.2 1 1232 . 114 ASN H H 9.15 0.02 1 1233 . 114 ASN HA H 4.39 0.02 1 1234 . 114 ASN HB2 H 3.22 0.02 2 1235 . 114 ASN HB3 H 2.17 0.02 2 1236 . 114 ASN C C 175.4 0.2 1 1237 . 114 ASN CA C 56.0 0.2 1 1238 . 114 ASN CB C 42.5 0.2 1 1239 . 114 ASN N N 122.1 0.2 1 1240 . 115 LEU H H 8.98 0.02 1 1241 . 115 LEU HA H 4.94 0.02 1 1242 . 115 LEU HB2 H 2.00 0.02 2 1243 . 115 LEU HB3 H 1.08 0.02 2 1244 . 115 LEU HG H 1.67 0.02 1 1245 . 115 LEU HD1 H 0.90 0.02 2 1246 . 115 LEU HD2 H 0.86 0.02 2 1247 . 115 LEU C C 178.2 0.2 1 1248 . 115 LEU CA C 54.5 0.2 1 1249 . 115 LEU CB C 45.5 0.2 1 1250 . 115 LEU CG C 27.0 0.2 1 1251 . 115 LEU CD1 C 25.3 0.2 2 1252 . 115 LEU CD2 C 28.3 0.2 2 1253 . 115 LEU N N 127.7 0.2 1 1254 . 116 SER H H 8.41 0.02 1 1255 . 116 SER HA H 4.11 0.02 1 1256 . 116 SER HB2 H 4.27 0.02 2 1257 . 116 SER HB3 H 3.89 0.02 2 1258 . 116 SER C C 175.2 0.2 1 1259 . 116 SER CA C 62.7 0.2 1 1260 . 116 SER CB C 62.9 0.2 1 1261 . 116 SER N N 119.7 0.2 1 1262 . 117 GLN H H 9.46 0.02 1 1263 . 117 GLN HA H 3.70 0.02 1 1264 . 117 GLN HB2 H 1.20 0.02 2 1265 . 117 GLN HB3 H 0.77 0.02 2 1266 . 117 GLN HG2 H 1.21 0.02 1 1267 . 117 GLN HG3 H 1.21 0.02 1 1268 . 117 GLN HE21 H 7.11 0.02 2 1269 . 117 GLN HE22 H 6.99 0.02 2 1270 . 117 GLN C C 172.6 0.2 1 1271 . 117 GLN CA C 58.5 0.2 1 1272 . 117 GLN CB C 26.1 0.2 1 1273 . 117 GLN CG C 33.0 0.2 1 1274 . 117 GLN N N 125.6 0.2 1 1275 . 117 GLN NE2 N 111.7 0.2 1 1276 . 118 TYR H H 7.15 0.02 1 1277 . 118 TYR HA H 4.43 0.02 1 1278 . 118 TYR HB2 H 3.31 0.02 2 1279 . 118 TYR HB3 H 2.58 0.02 2 1280 . 118 TYR HE1 H 6.41 0.02 1 1281 . 118 TYR HE2 H 6.41 0.02 1 1282 . 118 TYR C C 175.6 0.2 1 1283 . 118 TYR CA C 60.0 0.2 1 1284 . 118 TYR CB C 40.2 0.2 1 1285 . 118 TYR CE1 C 118.7 0.2 1 1286 . 118 TYR CE2 C 118.7 0.2 1 1287 . 118 TYR N N 112.2 0.2 1 1288 . 119 GLY H H 6.98 0.02 1 1289 . 119 GLY HA2 H 3.59 0.02 2 1290 . 119 GLY HA3 H 2.48 0.02 2 1291 . 119 GLY C C 171.7 0.2 1 1292 . 119 GLY CA C 47.7 0.2 1 1293 . 119 GLY N N 106.4 0.2 1 1294 . 120 ILE H H 8.64 0.02 1 1295 . 120 ILE HA H 1.70 0.02 1 1296 . 120 ILE HB H 1.67 0.02 1 1297 . 120 ILE HG12 H 1.72 0.02 2 1298 . 120 ILE HG13 H 0.79 0.02 2 1299 . 120 ILE HG2 H 0.55 0.02 1 1300 . 120 ILE HD1 H 0.61 0.02 1 1301 . 120 ILE C C 175.6 0.2 1 1302 . 120 ILE CA C 63.3 0.2 1 1303 . 120 ILE CB C 38.2 0.2 1 1304 . 120 ILE CG1 C 29.4 0.2 1 1305 . 120 ILE CG2 C 17.7 0.2 1 1306 . 120 ILE CD1 C 13.6 0.2 1 1307 . 120 ILE N N 113.4 0.2 1 1308 . 121 VAL H H 5.52 0.02 1 1309 . 121 VAL HA H 4.51 0.02 1 1310 . 121 VAL HB H 2.05 0.02 1 1311 . 121 VAL HG1 H 1.03 0.02 2 1312 . 121 VAL HG2 H 0.80 0.02 2 1313 . 121 VAL C C 175.8 0.2 1 1314 . 121 VAL CA C 61.7 0.2 1 1315 . 121 VAL CB C 34.5 0.2 1 1316 . 121 VAL CG1 C 24.0 0.2 2 1317 . 121 VAL CG2 C 21.0 0.2 2 1318 . 121 VAL N N 129.9 0.2 1 1319 . 122 CYS H H 8.94 0.02 1 1320 . 122 CYS HA H 5.36 0.02 1 1321 . 122 CYS HB2 H 2.42 0.02 2 1322 . 122 CYS HB3 H 2.31 0.02 2 1323 . 122 CYS C C 172.2 0.2 1 1324 . 122 CYS CA C 57.3 0.2 1 1325 . 122 CYS CB C 32.8 0.2 1 1326 . 122 CYS N N 121.9 0.2 1 1327 . 123 LYS H H 8.68 0.02 1 1328 . 123 LYS HA H 3.94 0.02 1 1329 . 123 LYS HB2 H 1.54 0.02 2 1330 . 123 LYS HB3 H 1.20 0.02 2 1331 . 123 LYS HG2 H 0.72 0.02 2 1332 . 123 LYS HG3 H 0.12 0.02 2 1333 . 123 LYS HD2 H 1.43 0.02 1 1334 . 123 LYS HD3 H 1.43 0.02 1 1335 . 123 LYS HE2 H 2.78 0.02 1 1336 . 123 LYS HE3 H 2.78 0.02 1 1337 . 123 LYS C C 175.6 0.2 1 1338 . 123 LYS CA C 55.0 0.2 1 1339 . 123 LYS CB C 34.7 0.2 1 1340 . 123 LYS CG C 24.6 0.2 1 1341 . 123 LYS CD C 30.1 0.2 1 1342 . 123 LYS CE C 41.8 0.2 1 1343 . 123 LYS N N 123.0 0.2 1 1344 . 124 MET H H 8.84 0.02 1 1345 . 124 MET HA H 4.92 0.02 1 1346 . 124 MET HB2 H 1.51 0.02 2 1347 . 124 MET HB3 H 1.41 0.02 2 1348 . 124 MET HG2 H 1.73 0.02 2 1349 . 124 MET HG3 H 1.54 0.02 2 1350 . 124 MET HE H 0.78 0.02 1 1351 . 124 MET C C 172.7 0.2 1 1352 . 124 MET CA C 54.2 0.2 1 1353 . 124 MET CB C 37.5 0.2 1 1354 . 124 MET CG C 32.2 0.2 1 1355 . 124 MET CE C 17.1 0.2 1 1356 . 124 MET N N 126.2 0.2 1 1357 . 125 ASN H H 8.55 0.02 1 1358 . 125 ASN HA H 5.43 0.02 1 1359 . 125 ASN HB2 H 2.72 0.02 2 1360 . 125 ASN HB3 H 2.57 0.02 2 1361 . 125 ASN C C 174.5 0.2 1 1362 . 125 ASN CA C 53.2 0.2 1 1363 . 125 ASN CB C 42.5 0.2 1 1364 . 125 ASN N N 122.4 0.2 1 1365 . 126 ILE H H 9.49 0.02 1 1366 . 126 ILE HA H 4.99 0.02 1 1367 . 126 ILE HB H 1.38 0.02 1 1368 . 126 ILE HG12 H 1.32 0.02 2 1369 . 126 ILE HG13 H 0.53 0.02 2 1370 . 126 ILE HG2 H 0.57 0.02 1 1371 . 126 ILE HD1 H 0.48 0.02 1 1372 . 126 ILE C C 173.9 0.2 1 1373 . 126 ILE CA C 60.1 0.2 1 1374 . 126 ILE CB C 42.3 0.2 1 1375 . 126 ILE CG1 C 28.4 0.2 1 1376 . 126 ILE CG2 C 19.4 0.2 1 1377 . 126 ILE CD1 C 14.3 0.2 1 1378 . 126 ILE N N 126.3 0.2 1 1379 . 127 LYS H H 9.14 0.02 1 1380 . 127 LYS HA H 4.54 0.02 1 1381 . 127 LYS C C 176.1 0.2 1 1382 . 127 LYS CA C 54.8 0.2 1 1383 . 127 LYS CB C 35.4 0.2 1 1384 . 127 LYS N N 128.0 0.2 1 1385 . 128 VAL H H 9.12 0.02 1 1386 . 128 VAL HA H 5.69 0.02 1 1387 . 128 VAL HB H 1.89 0.02 1 1388 . 128 VAL HG1 H 0.74 0.02 2 1389 . 128 VAL HG2 H 0.70 0.02 2 1390 . 128 VAL C C 173.0 0.2 1 1391 . 128 VAL CA C 58.5 0.2 1 1392 . 128 VAL CB C 34.8 0.2 1 1393 . 128 VAL CG1 C 20.5 0.2 2 1394 . 128 VAL CG2 C 22.9 0.2 2 1395 . 128 VAL N N 121.6 0.2 1 1396 . 129 LYS H H 8.35 0.02 1 1397 . 129 LYS HA H 4.80 0.02 1 1398 . 129 LYS HB2 H 2.14 0.02 2 1399 . 129 LYS HB3 H 1.88 0.02 2 1400 . 129 LYS HG2 H 1.78 0.02 2 1401 . 129 LYS HG3 H 1.01 0.02 2 1402 . 129 LYS HD2 H 1.67 0.02 1 1403 . 129 LYS HD3 H 1.67 0.02 1 1404 . 129 LYS HE2 H 3.22 0.02 2 1405 . 129 LYS HE3 H 2.99 0.02 2 1406 . 129 LYS C C 174.1 0.2 1 1407 . 129 LYS CA C 55.5 0.2 1 1408 . 129 LYS CB C 35.8 0.2 1 1409 . 129 LYS CG C 23.5 0.2 1 1410 . 129 LYS CD C 30.0 0.2 1 1411 . 129 LYS CE C 43.1 0.2 1 1412 . 129 LYS N N 117.0 0.2 1 1413 . 130 MET H H 9.30 0.02 1 1414 . 130 MET HA H 5.15 0.02 1 1415 . 130 MET HB2 H 1.99 0.02 2 1416 . 130 MET HB3 H 1.62 0.02 2 1417 . 130 MET HG2 H 2.42 0.02 2 1418 . 130 MET HG3 H 2.31 0.02 2 1419 . 130 MET HE H 1.83 0.02 1 1420 . 130 MET C C 176.9 0.2 1 1421 . 130 MET CA C 53.2 0.2 1 1422 . 130 MET CB C 31.3 0.2 1 1423 . 130 MET CG C 31.9 0.2 1 1424 . 130 MET CE C 16.2 0.2 1 1425 . 130 MET N N 118.2 0.2 1 1426 . 131 TYR H H 9.35 0.02 1 1427 . 131 TYR HA H 4.55 0.02 1 1428 . 131 TYR HB2 H 2.68 0.02 2 1429 . 131 TYR HB3 H 2.61 0.02 2 1430 . 131 TYR HD1 H 6.68 0.02 1 1431 . 131 TYR HD2 H 6.68 0.02 1 1432 . 131 TYR HE1 H 6.37 0.02 1 1433 . 131 TYR HE2 H 6.37 0.02 1 1434 . 131 TYR C C 175.3 0.2 1 1435 . 131 TYR CA C 57.7 0.2 1 1436 . 131 TYR CB C 41.9 0.2 1 1437 . 131 TYR CD1 C 132.2 0.2 1 1438 . 131 TYR CD2 C 132.2 0.2 1 1439 . 131 TYR CE1 C 117.3 0.2 1 1440 . 131 TYR CE2 C 117.3 0.2 1 1441 . 131 TYR N N 124.1 0.2 1 1442 . 132 ASN HA H 4.01 0.02 1 1443 . 132 ASN HB2 H 2.87 0.02 2 1444 . 132 ASN HB3 H 2.09 0.02 2 1445 . 132 ASN HD21 H 7.07 0.02 2 1446 . 132 ASN HD22 H 6.50 0.02 2 1447 . 132 ASN C C 175.2 0.2 1 1448 . 132 ASN CA C 53.5 0.2 1 1449 . 132 ASN CB C 36.9 0.2 1 1450 . 132 ASN CG C 177.3 0.2 1 1451 . 132 ASN ND2 N 111.1 0.2 1 1452 . 133 GLY H H 8.49 0.02 1 1453 . 133 GLY HA2 H 4.01 0.02 2 1454 . 133 GLY HA3 H 3.46 0.02 2 1455 . 133 GLY C C 173.7 0.2 1 1456 . 133 GLY CA C 45.4 0.2 1 1457 . 133 GLY N N 102.0 0.2 1 1458 . 134 LYS H H 7.58 0.02 1 1459 . 134 LYS HA H 4.69 0.02 1 1460 . 134 LYS HB2 H 1.82 0.02 2 1461 . 134 LYS HB3 H 1.65 0.02 2 1462 . 134 LYS HG2 H 1.37 0.02 2 1463 . 134 LYS HG3 H 1.29 0.02 2 1464 . 134 LYS HD2 H 1.57 0.02 1 1465 . 134 LYS HD3 H 1.57 0.02 1 1466 . 134 LYS HE2 H 2.99 0.02 1 1467 . 134 LYS HE3 H 2.99 0.02 1 1468 . 134 LYS C C 175.8 0.2 1 1469 . 134 LYS CA C 54.3 0.2 1 1470 . 134 LYS CB C 37.4 0.2 1 1471 . 134 LYS CG C 25.4 0.2 1 1472 . 134 LYS CD C 29.8 0.2 1 1473 . 134 LYS CE C 42.2 0.2 1 1474 . 134 LYS N N 117.7 0.2 1 1475 . 135 LEU H H 8.94 0.02 1 1476 . 135 LEU HA H 4.49 0.02 1 1477 . 135 LEU HB2 H 2.09 0.02 2 1478 . 135 LEU HG H 1.55 0.02 1 1479 . 135 LEU HD1 H 0.93 0.02 2 1480 . 135 LEU HD2 H 0.82 0.02 2 1481 . 135 LEU C C 175.9 0.2 1 1482 . 135 LEU CA C 57.2 0.2 1 1483 . 135 LEU CB C 42.7 0.2 1 1484 . 135 LEU CG C 27.4 0.2 1 1485 . 135 LEU CD1 C 25.4 0.2 2 1486 . 135 LEU CD2 C 24.0 0.2 2 1487 . 135 LEU N N 124.6 0.2 1 1488 . 136 ASN H H 9.53 0.02 1 1489 . 136 ASN HA H 5.04 0.02 1 1490 . 136 ASN HB2 H 2.85 0.02 1 1491 . 136 ASN HB3 H 2.85 0.02 1 1492 . 136 ASN C C 171.5 0.2 1 1493 . 136 ASN CA C 53.9 0.2 1 1494 . 136 ASN CB C 43.5 0.2 1 1495 . 136 ASN N N 127.9 0.2 1 1496 . 137 ALA H H 8.95 0.02 1 1497 . 137 ALA HA H 5.28 0.02 1 1498 . 137 ALA HB H 1.29 0.02 1 1499 . 137 ALA C C 174.4 0.2 1 1500 . 137 ALA CA C 50.2 0.2 1 1501 . 137 ALA CB C 19.8 0.2 1 1502 . 137 ALA N N 130.5 0.2 1 1503 . 138 ILE H H 8.96 0.02 1 1504 . 138 ILE HA H 4.45 0.02 1 1505 . 138 ILE HB H 1.68 0.02 1 1506 . 138 ILE HG12 H 1.53 0.02 2 1507 . 138 ILE HG13 H 0.68 0.02 2 1508 . 138 ILE HG2 H 0.96 0.02 1 1509 . 138 ILE HD1 H 0.95 0.02 1 1510 . 138 ILE C C 175.6 0.2 1 1511 . 138 ILE CA C 60.3 0.2 1 1512 . 138 ILE CB C 42.1 0.2 1 1513 . 138 ILE CG1 C 27.3 0.2 1 1514 . 138 ILE CG2 C 18.2 0.2 1 1515 . 138 ILE CD1 C 14.6 0.2 1 1516 . 138 ILE N N 124.2 0.2 1 1517 . 139 VAL H H 9.58 0.02 1 1518 . 139 VAL HA H 4.01 0.02 1 1519 . 139 VAL HB H 1.97 0.02 1 1520 . 139 VAL HG1 H 0.71 0.02 2 1521 . 139 VAL HG2 H 0.63 0.02 2 1522 . 139 VAL C C 175.4 0.2 1 1523 . 139 VAL CA C 62.8 0.2 1 1524 . 139 VAL CB C 31.4 0.2 1 1525 . 139 VAL CG1 C 22.3 0.2 2 1526 . 139 VAL CG2 C 23.5 0.2 2 1527 . 139 VAL N N 127.7 0.2 1 1528 . 140 ARG H H 9.02 0.02 1 1529 . 140 ARG HA H 4.39 0.02 1 1530 . 140 ARG HB2 H 1.89 0.02 1 1531 . 140 ARG HB3 H 1.89 0.02 1 1532 . 140 ARG HG2 H 2.16 0.02 2 1533 . 140 ARG HG3 H 1.63 0.02 2 1534 . 140 ARG HD2 H 3.38 0.02 2 1535 . 140 ARG HD3 H 3.23 0.02 2 1536 . 140 ARG C C 176.0 0.2 1 1537 . 140 ARG CA C 57.2 0.2 1 1538 . 140 ARG CB C 31.5 0.2 1 1539 . 140 ARG CG C 28.7 0.2 1 1540 . 140 ARG CD C 43.3 0.2 1 1541 . 140 ARG N N 130.3 0.2 1 1542 . 141 GLU H H 7.77 0.02 1 1543 . 141 GLU HA H 4.42 0.02 1 1544 . 141 GLU HB2 H 1.99 0.02 2 1545 . 141 GLU HB3 H 1.89 0.02 2 1546 . 141 GLU HG2 H 2.27 0.02 2 1547 . 141 GLU HG3 H 2.21 0.02 2 1548 . 141 GLU C C 174.8 0.2 1 1549 . 141 GLU CA C 56.7 0.2 1 1550 . 141 GLU CB C 33.0 0.2 1 1551 . 141 GLU CG C 36.3 0.2 1 1552 . 141 GLU N N 117.1 0.2 1 1553 . 142 CYS H H 8.30 0.02 1 1554 . 142 CYS HA H 4.89 0.02 1 1555 . 142 CYS HB2 H 2.09 0.02 2 1556 . 142 CYS HB3 H 2.00 0.02 2 1557 . 142 CYS C C 172.2 0.2 1 1558 . 142 CYS CA C 58.1 0.2 1 1559 . 142 CYS CB C 29.1 0.2 1 1560 . 142 CYS N N 124.1 0.2 1 1561 . 143 GLU H H 8.85 0.02 1 1562 . 143 GLU HA H 5.28 0.02 1 1563 . 143 GLU HB2 H 2.10 0.02 1 1564 . 143 GLU HB3 H 2.10 0.02 1 1565 . 143 GLU HG2 H 2.22 0.02 1 1566 . 143 GLU HG3 H 2.22 0.02 1 1567 . 143 GLU C C 173.4 0.2 1 1568 . 143 GLU CA C 52.4 0.2 1 1569 . 143 GLU CB C 32.9 0.2 1 1570 . 143 GLU CG C 35.5 0.2 1 1571 . 143 GLU N N 127.3 0.2 1 1572 . 144 PRO HA H 5.38 0.02 1 1573 . 144 PRO HB2 H 2.29 0.02 2 1574 . 144 PRO HB3 H 2.12 0.02 2 1575 . 144 PRO HG2 H 2.25 0.02 2 1576 . 144 PRO HG3 H 1.91 0.02 2 1577 . 144 PRO HD2 H 4.21 0.02 2 1578 . 144 PRO HD3 H 3.89 0.02 2 1579 . 144 PRO C C 176.1 0.2 1 1580 . 144 PRO CA C 62.5 0.2 1 1581 . 144 PRO CB C 32.3 0.2 1 1582 . 144 PRO CG C 27.4 0.2 1 1583 . 144 PRO CD C 50.5 0.2 1 1584 . 145 VAL H H 9.03 0.02 1 1585 . 145 VAL HA H 4.62 0.02 1 1586 . 145 VAL HB H 2.25 0.02 1 1587 . 145 VAL HG1 H 1.03 0.02 2 1588 . 145 VAL HG2 H 0.89 0.02 2 1589 . 145 VAL C C 172.1 0.2 1 1590 . 145 VAL CA C 58.9 0.2 1 1591 . 145 VAL CB C 31.8 0.2 1 1592 . 145 VAL CG1 C 22.3 0.2 2 1593 . 145 VAL CG2 C 22.9 0.2 2 1594 . 145 VAL N N 119.7 0.2 1 1595 . 146 PRO HA H 4.25 0.02 1 1596 . 146 PRO HB2 H 1.89 0.02 2 1597 . 146 PRO HB3 H 1.69 0.02 2 1598 . 146 PRO HG2 H 2.03 0.02 2 1599 . 146 PRO HG3 H 1.66 0.02 2 1600 . 146 PRO HD2 H 3.55 0.02 2 1601 . 146 PRO HD3 H 3.45 0.02 2 1602 . 146 PRO C C 178.8 0.2 1 1603 . 146 PRO CA C 63.2 0.2 1 1604 . 146 PRO CB C 31.3 0.2 1 1605 . 146 PRO CG C 28.6 0.2 1 1606 . 146 PRO CD C 50.4 0.2 1 1607 . 147 HIS H H 8.62 0.02 1 1608 . 147 HIS HA H 4.01 0.02 1 1609 . 147 HIS HB2 H 2.75 0.02 1 1610 . 147 HIS HB3 H 2.75 0.02 1 1611 . 147 HIS HD2 H 7.15 0.02 2 1612 . 147 HIS C C 177.6 0.2 1 1613 . 147 HIS CA C 61.3 0.2 1 1614 . 147 HIS CB C 29.6 0.2 1 1615 . 147 HIS CD2 C 121.7 0.2 1 1616 . 147 HIS N N 125.3 0.2 1 1617 . 148 SER H H 8.57 0.02 1 1618 . 148 SER HA H 4.08 0.02 1 1619 . 148 SER HB2 H 3.97 0.02 2 1620 . 148 SER HB3 H 3.89 0.02 2 1621 . 148 SER C C 175.5 0.2 1 1622 . 148 SER CA C 60.3 0.2 1 1623 . 148 SER CB C 62.8 0.2 1 1624 . 148 SER N N 112.3 0.2 1 1625 . 149 GLN H H 7.62 0.02 1 1626 . 149 GLN HA H 4.72 0.02 1 1627 . 149 GLN HB2 H 2.54 0.02 2 1628 . 149 GLN HB3 H 1.67 0.02 2 1629 . 149 GLN HG2 H 2.28 0.02 1 1630 . 149 GLN HG3 H 2.28 0.02 1 1631 . 149 GLN HE21 H 7.34 0.02 2 1632 . 149 GLN HE22 H 6.77 0.02 2 1633 . 149 GLN C C 177.5 0.2 1 1634 . 149 GLN CA C 54.8 0.2 1 1635 . 149 GLN CB C 30.5 0.2 1 1636 . 149 GLN CG C 33.8 0.2 1 1637 . 149 GLN N N 118.7 0.2 1 1638 . 149 GLN NE2 N 111.0 0.2 1 1639 . 150 ILE H H 7.31 0.02 1 1640 . 150 ILE HA H 3.60 0.02 1 1641 . 150 ILE HB H 1.84 0.02 1 1642 . 150 ILE HG12 H 1.40 0.02 2 1643 . 150 ILE HG13 H 1.29 0.02 2 1644 . 150 ILE HG2 H 0.99 0.02 1 1645 . 150 ILE HD1 H 1.03 0.02 1 1646 . 150 ILE C C 176.2 0.2 1 1647 . 150 ILE CA C 67.0 0.2 1 1648 . 150 ILE CB C 38.0 0.2 1 1649 . 150 ILE CG1 C 27.2 0.2 1 1650 . 150 ILE CG2 C 17.9 0.2 1 1651 . 150 ILE CD1 C 14.4 0.2 1 1652 . 150 ILE N N 119.4 0.2 1 1653 . 151 SER H H 8.19 0.02 1 1654 . 151 SER HA H 4.33 0.02 1 1655 . 151 SER HB2 H 3.96 0.02 2 1656 . 151 SER HB3 H 3.87 0.02 2 1657 . 151 SER C C 175.4 0.2 1 1658 . 151 SER CA C 60.7 0.2 1 1659 . 151 SER CB C 63.0 0.2 1 1660 . 151 SER N N 113.4 0.2 1 1661 . 152 SER H H 7.78 0.02 1 1662 . 152 SER HA H 4.59 0.02 1 1663 . 152 SER HB2 H 3.97 0.02 2 1664 . 152 SER HB3 H 3.92 0.02 2 1665 . 152 SER C C 174.7 0.2 1 1666 . 152 SER CA C 59.4 0.2 1 1667 . 152 SER CB C 64.1 0.2 1 1668 . 152 SER N N 114.9 0.2 1 1669 . 153 ILE H H 7.47 0.02 1 1670 . 153 ILE HA H 4.09 0.02 1 1671 . 153 ILE HB H 1.55 0.02 1 1672 . 153 ILE HG12 H 1.70 0.02 2 1673 . 153 ILE HG13 H 1.14 0.02 2 1674 . 153 ILE HG2 H 0.95 0.02 1 1675 . 153 ILE HD1 H 1.02 0.02 1 1676 . 153 ILE C C 174.2 0.2 1 1677 . 153 ILE CA C 62.5 0.2 1 1678 . 153 ILE CB C 41.2 0.2 1 1679 . 153 ILE CG1 C 28.5 0.2 1 1680 . 153 ILE CG2 C 18.1 0.2 1 1681 . 153 ILE CD1 C 15.3 0.2 1 1682 . 153 ILE N N 120.8 0.2 1 1683 . 154 ALA H H 8.43 0.02 1 1684 . 154 ALA HA H 4.90 0.02 1 1685 . 154 ALA HB H 1.36 0.02 1 1686 . 154 ALA C C 176.2 0.2 1 1687 . 154 ALA CA C 50.3 0.2 1 1688 . 154 ALA CB C 21.6 0.2 1 1689 . 154 ALA N N 124.2 0.2 1 1690 . 155 SER H H 8.71 0.02 1 1691 . 155 SER HA H 4.71 0.02 1 1692 . 155 SER HB2 H 4.42 0.02 2 1693 . 155 SER HB3 H 3.90 0.02 2 1694 . 155 SER C C 173.7 0.2 1 1695 . 155 SER CA C 57.0 0.2 1 1696 . 155 SER CB C 62.8 0.2 1 1697 . 155 SER N N 119.4 0.2 1 1698 . 157 SER HA H 4.32 0.02 1 1699 . 157 SER HB2 H 3.95 0.02 1 1700 . 157 SER HB3 H 3.95 0.02 1 1701 . 157 SER C C 178.5 0.2 1 1702 . 157 SER CA C 61.3 0.2 1 1703 . 157 SER CB C 62.3 0.2 1 1704 . 158 GLN H H 7.82 0.02 1 1705 . 158 GLN HA H 4.06 0.02 1 1706 . 158 GLN HB2 H 1.91 0.02 1 1707 . 158 GLN HB3 H 1.91 0.02 1 1708 . 158 GLN HG2 H 2.72 0.02 1 1709 . 158 GLN HG3 H 2.72 0.02 1 1710 . 158 GLN C C 178.4 0.2 1 1711 . 158 GLN CA C 58.8 0.2 1 1712 . 158 GLN CB C 28.8 0.2 1 1713 . 158 GLN CG C 35.4 0.2 1 1714 . 158 GLN N N 124.1 0.2 1 1715 . 159 CYS H H 8.80 0.02 1 1716 . 159 CYS HA H 3.97 0.02 1 1717 . 159 CYS HB2 H 3.31 0.02 2 1718 . 159 CYS HB3 H 2.73 0.02 2 1719 . 159 CYS C C 177.1 0.2 1 1720 . 159 CYS CA C 64.9 0.2 1 1721 . 159 CYS CB C 26.4 0.2 1 1722 . 159 CYS N N 119.7 0.2 1 1723 . 160 GLU H H 7.41 0.02 1 1724 . 160 GLU HA H 4.31 0.02 1 1725 . 160 GLU HB2 H 2.14 0.02 2 1726 . 160 GLU HB3 H 2.11 0.02 2 1727 . 160 GLU HG2 H 2.34 0.02 1 1728 . 160 GLU HG3 H 2.34 0.02 1 1729 . 160 GLU C C 178.0 0.2 1 1730 . 160 GLU CA C 59.0 0.2 1 1731 . 160 GLU CB C 28.9 0.2 1 1732 . 160 GLU CG C 35.3 0.2 1 1733 . 160 GLU N N 121.0 0.2 1 1734 . 161 HIS H H 7.41 0.02 1 1735 . 161 HIS HA H 4.11 0.02 1 1736 . 161 HIS HB2 H 3.34 0.02 2 1737 . 161 HIS HB3 H 3.17 0.02 2 1738 . 161 HIS C C 179.6 0.2 1 1739 . 161 HIS CA C 60.0 0.2 1 1740 . 161 HIS CB C 30.4 0.2 1 1741 . 161 HIS N N 119.4 0.2 1 1742 . 162 LEU H H 8.15 0.02 1 1743 . 162 LEU HA H 3.55 0.02 1 1744 . 162 LEU HB2 H 1.48 0.02 2 1745 . 162 LEU HB3 H 1.08 0.02 2 1746 . 162 LEU HG H 0.46 0.02 1 1747 . 162 LEU HD1 H 0.48 0.02 2 1748 . 162 LEU HD2 H 0.37 0.02 2 1749 . 162 LEU C C 176.1 0.2 1 1750 . 162 LEU CA C 57.8 0.2 1 1751 . 162 LEU CB C 41.5 0.2 1 1752 . 162 LEU CG C 27.7 0.2 1 1753 . 162 LEU CD1 C 25.5 0.2 2 1754 . 162 LEU CD2 C 23.4 0.2 2 1755 . 162 LEU N N 121.1 0.2 1 1756 . 163 ARG H H 7.94 0.02 1 1757 . 163 ARG HA H 4.09 0.02 1 1758 . 163 ARG HB2 H 2.09 0.02 2 1759 . 163 ARG HB3 H 2.01 0.02 2 1760 . 163 ARG HG2 H 1.90 0.02 2 1761 . 163 ARG HG3 H 1.64 0.02 2 1762 . 163 ARG HD2 H 3.37 0.02 2 1763 . 163 ARG HD3 H 3.24 0.02 2 1764 . 163 ARG C C 179.7 0.2 1 1765 . 163 ARG CA C 60.5 0.2 1 1766 . 163 ARG CB C 30.4 0.2 1 1767 . 163 ARG CG C 28.3 0.2 1 1768 . 163 ARG CD C 43.4 0.2 1 1769 . 163 ARG N N 118.3 0.2 1 1770 . 164 LEU H H 7.49 0.02 1 1771 . 164 LEU HA H 4.10 0.02 1 1772 . 164 LEU HB2 H 1.89 0.02 2 1773 . 164 LEU HB3 H 1.46 0.02 2 1774 . 164 LEU HG H 1.80 0.02 1 1775 . 164 LEU HD1 H 0.90 0.02 2 1776 . 164 LEU HD2 H 0.87 0.02 2 1777 . 164 LEU C C 179.6 0.2 1 1778 . 164 LEU CA C 57.8 0.2 1 1779 . 164 LEU CB C 41.7 0.2 1 1780 . 164 LEU CG C 27.1 0.2 1 1781 . 164 LEU CD1 C 25.6 0.2 2 1782 . 164 LEU CD2 C 22.7 0.2 2 1783 . 164 LEU N N 118.1 0.2 1 1784 . 165 PHE H H 7.69 0.02 1 1785 . 165 PHE HA H 4.19 0.02 1 1786 . 165 PHE HB2 H 3.29 0.02 1 1787 . 165 PHE HB3 H 3.29 0.02 1 1788 . 165 PHE HD1 H 7.21 0.02 1 1789 . 165 PHE HD2 H 7.21 0.02 1 1790 . 165 PHE HE1 H 7.59 0.02 1 1791 . 165 PHE HE2 H 7.59 0.02 1 1792 . 165 PHE HZ H 7.40 0.02 1 1793 . 165 PHE C C 176.6 0.2 1 1794 . 165 PHE CA C 61.5 0.2 1 1795 . 165 PHE CB C 38.0 0.2 1 1796 . 165 PHE CD1 C 132.5 0.2 1 1797 . 165 PHE CD2 C 132.5 0.2 1 1798 . 165 PHE CE1 C 131.4 0.2 1 1799 . 165 PHE CE2 C 131.4 0.2 1 1800 . 165 PHE CZ C 128.3 0.2 1 1801 . 165 PHE N N 122.5 0.2 1 1802 . 166 TYR H H 9.13 0.02 1 1803 . 166 TYR HA H 3.99 0.02 1 1804 . 166 TYR HB2 H 3.19 0.02 1 1805 . 166 TYR HB3 H 3.19 0.02 1 1806 . 166 TYR HD1 H 7.08 0.02 1 1807 . 166 TYR HD2 H 7.08 0.02 1 1808 . 166 TYR HE1 H 6.81 0.02 1 1809 . 166 TYR HE2 H 6.81 0.02 1 1810 . 166 TYR C C 177.9 0.2 1 1811 . 166 TYR CA C 59.4 0.2 1 1812 . 166 TYR CB C 37.4 0.2 1 1813 . 166 TYR CD1 C 133.0 0.2 1 1814 . 166 TYR CD2 C 133.0 0.2 1 1815 . 166 TYR CE1 C 117.8 0.2 1 1816 . 166 TYR CE2 C 117.8 0.2 1 1817 . 166 TYR N N 120.1 0.2 1 1818 . 167 GLN H H 7.23 0.02 1 1819 . 167 GLN HA H 4.00 0.02 1 1820 . 167 GLN HB2 H 2.27 0.02 2 1821 . 167 GLN HB3 H 2.22 0.02 2 1822 . 167 GLN HG2 H 2.69 0.02 2 1823 . 167 GLN HG3 H 2.52 0.02 2 1824 . 167 GLN C C 179.4 0.2 1 1825 . 167 GLN CA C 59.0 0.2 1 1826 . 167 GLN CB C 28.8 0.2 1 1827 . 167 GLN CG C 34.0 0.2 1 1828 . 167 GLN N N 114.0 0.2 1 1829 . 168 ARG H H 7.89 0.02 1 1830 . 168 ARG HA H 4.02 0.02 1 1831 . 168 ARG HB2 H 1.81 0.02 1 1832 . 168 ARG HB3 H 1.81 0.02 1 1833 . 168 ARG C C 179.2 0.2 1 1834 . 168 ARG CA C 59.9 0.2 1 1835 . 168 ARG CB C 32.6 0.2 1 1836 . 168 ARG N N 118.6 0.2 1 1837 . 169 ALA H H 8.46 0.02 1 1838 . 169 ALA HA H 2.50 0.02 1 1839 . 169 ALA HB H 0.98 0.02 1 1840 . 169 ALA C C 179.2 0.2 1 1841 . 169 ALA CA C 54.7 0.2 1 1842 . 169 ALA CB C 19.5 0.2 1 1843 . 169 ALA N N 121.9 0.2 1 1844 . 170 PHE H H 8.15 0.02 1 1845 . 170 PHE HA H 3.93 0.02 1 1846 . 170 PHE HB2 H 3.12 0.02 2 1847 . 170 PHE HB3 H 3.10 0.02 2 1848 . 170 PHE HD1 H 6.98 0.02 1 1849 . 170 PHE HD2 H 6.98 0.02 1 1850 . 170 PHE C C 178.6 0.2 1 1851 . 170 PHE CA C 59.6 0.2 1 1852 . 170 PHE CB C 38.5 0.2 1 1853 . 170 PHE CD1 C 131.1 0.2 1 1854 . 170 PHE CD2 C 131.1 0.2 1 1855 . 170 PHE N N 116.4 0.2 1 1856 . 171 LYS H H 7.20 0.02 1 1857 . 171 LYS HA H 4.04 0.02 1 1858 . 171 LYS HB2 H 1.88 0.02 1 1859 . 171 LYS HB3 H 1.88 0.02 1 1860 . 171 LYS HG2 H 1.60 0.02 2 1861 . 171 LYS HG3 H 1.50 0.02 2 1862 . 171 LYS HD2 H 1.73 0.02 1 1863 . 171 LYS HD3 H 1.73 0.02 1 1864 . 171 LYS HE2 H 3.02 0.02 1 1865 . 171 LYS HE3 H 3.02 0.02 1 1866 . 171 LYS C C 178.2 0.2 1 1867 . 171 LYS CA C 58.4 0.2 1 1868 . 171 LYS CB C 32.8 0.2 1 1869 . 171 LYS CG C 25.3 0.2 1 1870 . 171 LYS CD C 29.1 0.2 1 1871 . 171 LYS CE C 42.3 0.2 1 1872 . 171 LYS N N 115.8 0.2 1 1873 . 172 ARG H H 7.76 0.02 1 1874 . 172 ARG HA H 4.19 0.02 1 1875 . 172 ARG HB2 H 1.38 0.02 1 1876 . 172 ARG HB3 H 1.38 0.02 1 1877 . 172 ARG HG2 H 1.58 0.02 1 1878 . 172 ARG HG3 H 1.58 0.02 1 1879 . 172 ARG C C 177.7 0.2 1 1880 . 172 ARG CA C 56.4 0.2 1 1881 . 172 ARG CB C 30.3 0.2 1 1882 . 172 ARG CG C 28.3 0.2 1 1883 . 172 ARG N N 118.0 0.2 1 1884 . 173 ILE H H 8.46 0.02 1 1885 . 173 ILE HA H 3.43 0.02 1 1886 . 173 ILE HB H 1.43 0.02 1 1887 . 173 ILE HG12 H 1.59 0.02 2 1888 . 173 ILE HG13 H 0.71 0.02 2 1889 . 173 ILE HG2 H 0.72 0.02 1 1890 . 173 ILE HD1 H 0.93 0.02 1 1891 . 173 ILE C C 177.0 0.2 1 1892 . 173 ILE CA C 64.8 0.2 1 1893 . 173 ILE CB C 39.3 0.2 1 1894 . 173 ILE CG1 C 30.0 0.2 1 1895 . 173 ILE CG2 C 19.0 0.2 1 1896 . 173 ILE CD1 C 14.6 0.2 1 1897 . 173 ILE N N 119.4 0.2 1 1898 . 174 GLY H H 7.09 0.02 1 1899 . 174 GLY HA2 H 4.34 0.02 2 1900 . 174 GLY HA3 H 3.61 0.02 2 1901 . 174 GLY C C 173.3 0.2 1 1902 . 174 GLY CA C 44.7 0.2 1 1903 . 174 GLY N N 107.1 0.2 1 1904 . 175 GLU H H 8.38 0.02 1 1905 . 175 GLU HA H 3.61 0.02 1 1906 . 175 GLU HB2 H 1.96 0.02 1 1907 . 175 GLU HB3 H 1.96 0.02 1 1908 . 175 GLU HG2 H 2.24 0.02 2 1909 . 175 GLU HG3 H 2.16 0.02 2 1910 . 175 GLU C C 178.6 0.2 1 1911 . 175 GLU CA C 60.0 0.2 1 1912 . 175 GLU CB C 29.9 0.2 1 1913 . 175 GLU CG C 36.6 0.2 1 1914 . 175 GLU N N 122.9 0.2 1 1915 . 176 SER HA H 4.10 0.02 1 1916 . 176 SER HB2 H 3.90 0.02 2 1917 . 176 SER HB3 H 3.85 0.02 2 1918 . 176 SER C C 176.8 0.2 1 1919 . 176 SER CA C 61.4 0.2 1 1920 . 176 SER CB C 62.4 0.2 1 1921 . 177 ALA H H 7.84 0.02 1 1922 . 177 ALA HA H 4.12 0.02 1 1923 . 177 ALA HB H 1.33 0.02 1 1924 . 177 ALA C C 178.6 0.2 1 1925 . 177 ALA CA C 55.3 0.2 1 1926 . 177 ALA CB C 18.7 0.2 1 1927 . 177 ALA N N 125.6 0.2 1 1928 . 178 ILE H H 7.35 0.02 1 1929 . 178 ILE HA H 2.74 0.02 1 1930 . 178 ILE HB H 1.30 0.02 1 1931 . 178 ILE HG12 H 1.24 0.02 2 1932 . 178 ILE HG13 H -0.21 0.02 2 1933 . 178 ILE HG2 H 0.41 0.02 1 1934 . 178 ILE HD1 H 0.28 0.02 1 1935 . 178 ILE C C 178.0 0.2 1 1936 . 178 ILE CA C 65.5 0.2 1 1937 . 178 ILE CB C 37.6 0.2 1 1938 . 178 ILE CG1 C 29.5 0.2 1 1939 . 178 ILE CG2 C 16.9 0.2 1 1940 . 178 ILE CD1 C 13.9 0.2 1 1941 . 178 ILE N N 116.8 0.2 1 1942 . 179 SER H H 7.97 0.02 1 1943 . 179 SER HA H 4.01 0.02 1 1944 . 179 SER HB2 H 3.94 0.02 1 1945 . 179 SER HB3 H 3.94 0.02 1 1946 . 179 SER C C 176.9 0.2 1 1947 . 179 SER CA C 62.1 0.2 1 1948 . 179 SER CB C 63.0 0.2 1 1949 . 179 SER N N 112.1 0.2 1 1950 . 180 ARG H H 7.28 0.02 1 1951 . 180 ARG HA H 3.95 0.02 1 1952 . 180 ARG HB2 H 1.89 0.02 2 1953 . 180 ARG HB3 H 1.57 0.02 2 1954 . 180 ARG HG2 H 1.64 0.02 2 1955 . 180 ARG HG3 H 1.46 0.02 2 1956 . 180 ARG HD2 H 3.20 0.02 2 1957 . 180 ARG HD3 H 3.11 0.02 2 1958 . 180 ARG C C 176.3 0.2 1 1959 . 180 ARG CA C 58.9 0.2 1 1960 . 180 ARG CB C 30.9 0.2 1 1961 . 180 ARG CG C 28.1 0.2 1 1962 . 180 ARG CD C 44.0 0.2 1 1963 . 180 ARG N N 120.9 0.2 1 1964 . 181 TYR H H 7.58 0.02 1 1965 . 181 TYR HA H 4.88 0.02 1 1966 . 181 TYR HB2 H 4.02 0.02 2 1967 . 181 TYR HB3 H 2.40 0.02 2 1968 . 181 TYR HD1 H 7.12 0.02 1 1969 . 181 TYR HD2 H 7.12 0.02 1 1970 . 181 TYR HE1 H 6.63 0.02 1 1971 . 181 TYR HE2 H 6.63 0.02 1 1972 . 181 TYR C C 175.8 0.2 1 1973 . 181 TYR CA C 58.1 0.2 1 1974 . 181 TYR CB C 38.7 0.2 1 1975 . 181 TYR CD1 C 133.7 0.2 1 1976 . 181 TYR CD2 C 133.7 0.2 1 1977 . 181 TYR CE1 C 118.1 0.2 1 1978 . 181 TYR CE2 C 118.1 0.2 1 1979 . 181 TYR N N 120.2 0.2 1 1980 . 182 PHE H H 7.06 0.02 1 1981 . 182 PHE HA H 3.95 0.02 1 1982 . 182 PHE HB2 H 3.39 0.02 2 1983 . 182 PHE HB3 H 3.00 0.02 2 1984 . 182 PHE HD1 H 7.10 0.02 1 1985 . 182 PHE HD2 H 7.10 0.02 1 1986 . 182 PHE C C 176.9 0.2 1 1987 . 182 PHE CA C 62.7 0.2 1 1988 . 182 PHE CB C 40.7 0.2 1 1989 . 182 PHE CD1 C 132.2 0.2 1 1990 . 182 PHE CD2 C 132.2 0.2 1 1991 . 182 PHE N N 122.0 0.2 1 1992 . 183 GLU H H 8.81 0.02 1 1993 . 183 GLU HA H 3.79 0.02 1 1994 . 183 GLU HB2 H 2.08 0.02 1 1995 . 183 GLU HB3 H 2.08 0.02 1 1996 . 183 GLU HG2 H 2.46 0.02 1 1997 . 183 GLU HG3 H 2.46 0.02 1 1998 . 183 GLU C C 178.6 0.2 1 1999 . 183 GLU CA C 59.4 0.2 1 2000 . 183 GLU CB C 29.1 0.2 1 2001 . 183 GLU CG C 36.7 0.2 1 2002 . 183 GLU N N 116.4 0.2 1 2003 . 184 GLU H H 8.81 0.02 1 2004 . 184 GLU HA H 4.48 0.02 1 2005 . 184 GLU HB2 H 2.96 0.02 2 2006 . 184 GLU HB3 H 2.49 0.02 2 2007 . 184 GLU HG2 H 2.81 0.02 2 2008 . 184 GLU HG3 H 2.60 0.02 2 2009 . 184 GLU C C 180.7 0.2 1 2010 . 184 GLU CA C 60.1 0.2 1 2011 . 184 GLU CB C 29.6 0.2 1 2012 . 184 GLU CG C 37.7 0.2 1 2013 . 184 GLU N N 118.4 0.2 1 2014 . 185 TYR H H 9.26 0.02 1 2015 . 185 TYR HA H 4.29 0.02 1 2016 . 185 TYR HD1 H 6.76 0.02 1 2017 . 185 TYR HD2 H 6.76 0.02 1 2018 . 185 TYR C C 179.5 0.2 1 2019 . 185 TYR CA C 63.9 0.2 1 2020 . 185 TYR CB C 39.4 0.2 1 2021 . 185 TYR CD1 C 132.1 0.2 1 2022 . 185 TYR CD2 C 132.1 0.2 1 2023 . 185 TYR N N 120.8 0.2 1 2024 . 186 ARG H H 8.91 0.02 1 2025 . 186 ARG HA H 4.44 0.02 1 2026 . 186 ARG HB2 H 1.68 0.02 2 2027 . 186 ARG HB3 H 1.37 0.02 2 2028 . 186 ARG HG2 H 1.73 0.02 2 2029 . 186 ARG HG3 H 1.39 0.02 2 2030 . 186 ARG HD2 H 2.99 0.02 1 2031 . 186 ARG HD3 H 2.99 0.02 1 2032 . 186 ARG C C 176.5 0.2 1 2033 . 186 ARG CA C 57.7 0.2 1 2034 . 186 ARG CB C 28.7 0.2 1 2035 . 186 ARG CG C 26.5 0.2 1 2036 . 186 ARG CD C 43.9 0.2 1 2037 . 186 ARG N N 119.4 0.2 1 2038 . 187 ARG H H 7.36 0.02 1 2039 . 187 ARG HA H 3.98 0.02 1 2040 . 187 ARG HB2 H 1.86 0.02 2 2041 . 187 ARG HB3 H 1.18 0.02 2 2042 . 187 ARG HG2 H 1.81 0.02 2 2043 . 187 ARG HG3 H 1.19 0.02 2 2044 . 187 ARG HD2 H 3.11 0.02 2 2045 . 187 ARG HD3 H 2.73 0.02 2 2046 . 187 ARG C C 178.4 0.2 1 2047 . 187 ARG CA C 59.2 0.2 1 2048 . 187 ARG CB C 31.3 0.2 1 2049 . 187 ARG CG C 28.2 0.2 1 2050 . 187 ARG CD C 43.5 0.2 1 2051 . 187 ARG N N 115.5 0.2 1 2052 . 188 PHE H H 7.68 0.02 1 2053 . 188 PHE HA H 4.71 0.02 1 2054 . 188 PHE HB2 H 3.43 0.02 1 2055 . 188 PHE HB3 H 3.43 0.02 1 2056 . 188 PHE HD1 H 7.60 0.02 1 2057 . 188 PHE HD2 H 7.60 0.02 1 2058 . 188 PHE C C 173.0 0.2 1 2059 . 188 PHE CA C 60.3 0.2 1 2060 . 188 PHE CB C 44.6 0.2 1 2061 . 188 PHE N N 114.4 0.2 1 2062 . 189 PHE H H 8.82 0.02 1 2063 . 189 PHE HA H 4.95 0.02 1 2064 . 189 PHE C C 174.1 0.2 1 2065 . 189 PHE CA C 54.9 0.2 1 2066 . 189 PHE CB C 42.2 0.2 1 2067 . 189 PHE N N 118.4 0.2 1 stop_ save_