data_6223 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Sequential resonance assignment of yeast cytosine deaminase in complex with a transition state analogue ; _BMRB_accession_number 6223 _BMRB_flat_file_name bmr6223.str _Entry_type original _Submission_date 2004-06-02 _Accession_date 2004-06-03 _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 Yao Lishan . . 2 Liu Aizhuo . . 3 Li Yue . . 4 Felczak Krzysztof . . 5 Li Guangyu . . 6 Yan Honggao . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 308 "13C chemical shifts" 424 "15N chemical shifts" 145 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2007-03-22 original author . stop_ _Original_release_date 2007-03-22 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Simultaneous NMR assignment of backbone and side chain amides in large proteins with IS-TROSY ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 17091334 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Liu Aizhuo . . 2 Li Yue . . 3 Yao L. . . 4 Yan Honggao . . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_volume 36 _Journal_issue 4 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 205 _Page_last 214 _Year 2006 _Details . save_ ################################## # Molecular system description # ################################## save_system_YCD _Saveframe_category molecular_system _Mol_system_name 'YCD dimer' _Abbreviation_common YCD _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'YCD monomer 1' $YCD 'YCD monomer 2' $YCD '5-fluorine, 2-hydroxypyrimidine' $PYR1 'ZINC (II) ION' $ZN stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state dimer _System_paramagnetic no _System_thiol_state 'other bound and free' loop_ _Magnetic_equivalence_ID _Magnetically_equivalent_system_component 1 'YCD monomer 1' 1 'YCD monomer 2' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_YCD _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'Yeast cytosine deaminase' _Abbreviation_common YCD _Molecular_mass . _Mol_thiol_state 'other bound and free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 158 _Mol_residue_sequence ; MVTGGMASKWDQKGMDIAYE EAALGYKEGGVPIGGCLINN KDGSVLGRGHNMRFQKGSAT LHGEISTLENCGRLEGKVYK DTTLYTTLSPCDMCTGAIIM YGIPRCVVGENVNFKSKGEK YLQTRGHEVVVVDDERCKKI MKQFIDERPQDWFEDIGE ; loop_ _Residue_seq_code _Residue_label 1 MET 2 VAL 3 THR 4 GLY 5 GLY 6 MET 7 ALA 8 SER 9 LYS 10 TRP 11 ASP 12 GLN 13 LYS 14 GLY 15 MET 16 ASP 17 ILE 18 ALA 19 TYR 20 GLU 21 GLU 22 ALA 23 ALA 24 LEU 25 GLY 26 TYR 27 LYS 28 GLU 29 GLY 30 GLY 31 VAL 32 PRO 33 ILE 34 GLY 35 GLY 36 CYS 37 LEU 38 ILE 39 ASN 40 ASN 41 LYS 42 ASP 43 GLY 44 SER 45 VAL 46 LEU 47 GLY 48 ARG 49 GLY 50 HIS 51 ASN 52 MET 53 ARG 54 PHE 55 GLN 56 LYS 57 GLY 58 SER 59 ALA 60 THR 61 LEU 62 HIS 63 GLY 64 GLU 65 ILE 66 SER 67 THR 68 LEU 69 GLU 70 ASN 71 CYS 72 GLY 73 ARG 74 LEU 75 GLU 76 GLY 77 LYS 78 VAL 79 TYR 80 LYS 81 ASP 82 THR 83 THR 84 LEU 85 TYR 86 THR 87 THR 88 LEU 89 SER 90 PRO 91 CYS 92 ASP 93 MET 94 CYS 95 THR 96 GLY 97 ALA 98 ILE 99 ILE 100 MET 101 TYR 102 GLY 103 ILE 104 PRO 105 ARG 106 CYS 107 VAL 108 VAL 109 GLY 110 GLU 111 ASN 112 VAL 113 ASN 114 PHE 115 LYS 116 SER 117 LYS 118 GLY 119 GLU 120 LYS 121 TYR 122 LEU 123 GLN 124 THR 125 ARG 126 GLY 127 HIS 128 GLU 129 VAL 130 VAL 131 VAL 132 VAL 133 ASP 134 ASP 135 GLU 136 ARG 137 CYS 138 LYS 139 LYS 140 ILE 141 MET 142 LYS 143 GLN 144 PHE 145 ILE 146 ASP 147 GLU 148 ARG 149 PRO 150 GLN 151 ASP 152 TRP 153 PHE 154 GLU 155 ASP 156 ILE 157 GLY 158 GLU 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 REF NP_015387 'Cytosine deaminase, zinc metalloenzyme that catalyzes the hydrolytic deamination of cytosine to uracil; of biomedical interest because it also catalyzes the deamination of 5-fluorocytosine (5FC) to form anticancer drug 5-fluorouracil (5FU); Fcy1p [Saccharomyces cerevisiae]' 100.00 158 100.00 100.00 1.40e-88 SWISS-PROT Q12178 'Cytosine deaminase (Cytosine aminohydrolase)' 100.00 158 100.00 100.00 1.40e-88 GenBank EDN61192 'cytosine deaminase [Saccharomyces cerevisiae YJM789]' 100.00 158 100.00 100.00 1.40e-88 GenBank EDV11264 'cytosine deaminase [Saccharomyces cerevisiae RM11-1a]' 100.00 158 100.00 100.00 1.40e-88 GenBank AAC13409 'cytosine deaminase [Saccharomyces cerevisiae]' 100.00 158 100.00 100.00 1.40e-88 GenBank AAG33626 'cytosine deaminase-uracil phosphoribosyltransferase fusion protein [synthetic construct]' 100.00 373 100.00 100.00 1.69e-89 EMBL CAA95006 'unknown [Saccharomyces cerevisiae]' 100.00 158 100.00 100.00 1.40e-88 GenBank AAB67713 'cytosine deaminase [Saccharomyces cerevisiae]' 100.00 158 100.00 100.00 1.40e-88 PDB 1YSD 'Yeast Cytosine Deaminase Double Mutant' 100.00 161 98.73 99.37 1.07e-87 EMBL CAA89179 'unknown [Saccharomyces cerevisiae]' 100.00 158 100.00 100.00 1.40e-88 PDB 1UAQ 'The Crystal Structure Of Yeast Cytosine Deaminase' 100.00 158 100.00 100.00 1.40e-88 PDB 1YSB 'Yeast Cytosine Deaminase Triple Mutant' 100.00 161 98.10 99.37 1.39e-87 PDB 1P6O 'The Crystal Structure Of Yeast Cytosine Deaminase Bound To 4(R)-Hydroxyl-3,4-Dihydropyrimidine At 1.14 Angstroms.' 100.00 161 100.00 100.00 1.04e-88 PDB 1RB7 'Yeast Cytosine Deaminase Crystal Form P212121 With Sodium Acetate' 100.00 161 100.00 100.00 1.04e-88 stop_ save_ ############# # Ligands # ############# save_PYR1 _Saveframe_category ligand _Mol_type non-polymer _Name_common '5-fluorine, 2-hydroxypyrimidine' _Abbreviation_common PYR1 _Molecular_mass . _Details . _Mol_thiol_state . _Sequence_homology_query_date . save_ 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 Thu Jun 2 09:48:05 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 $YCD '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_name $YCD 'recombinant technology' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $YCD 1.8 mM '[U-70% 2H, U-100% 13C, U-100% 15N]' stop_ 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__1 _Saveframe_category NMR_applied_experiment _Sample_label $sample_1 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 pH temperature 298 0.5 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 _Indirect_shift_ratio_citation_label _Correction_value_citation_label DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 $entry_citation $entry_citation DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 $entry_citation $entry_citation DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 $entry_citation $entry_citation 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 stop_ _Sample_conditions_label $Ex-cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'YCD monomer 1' _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 . 9 LYS C C 177.0 . 1 2 . 9 LYS CA C 57.9 . 1 3 . 9 LYS CB C 29.4 . 1 4 . 10 TRP N N 118.3 . 1 5 . 10 TRP C C 175.9 . 1 6 . 10 TRP CA C 54.6 . 1 7 . 10 TRP CB C 29.4 . 1 8 . 10 TRP H H 7.92 . 1 9 . 10 TRP HA H 5.23 . 1 10 . 11 ASP N N 118.3 . 1 11 . 11 ASP C C 176.1 . 1 12 . 11 ASP CA C 57.0 . 1 13 . 11 ASP CB C 38.9 . 1 14 . 11 ASP H H 7.58 . 1 15 . 11 ASP HA H 3.93 . 1 16 . 12 GLN N N 121.9 . 1 17 . 12 GLN C C 177.2 . 1 18 . 12 GLN CA C 58.6 . 1 19 . 12 GLN CB C 27.2 . 1 20 . 12 GLN H H 8.38 . 1 21 . 12 GLN HA H 4.05 . 1 22 . 13 LYS N N 121.1 . 1 23 . 13 LYS C C 178.9 . 1 24 . 13 LYS CA C 58.7 . 1 25 . 13 LYS CB C 31.8 . 1 26 . 13 LYS H H 8.09 . 1 27 . 13 LYS HA H 4.03 . 1 28 . 14 GLY N N 104.7 . 1 29 . 14 GLY C C 179.6 . 1 30 . 14 GLY CA C 46.1 . 1 31 . 14 GLY H H 8.50 . 1 32 . 14 GLY HA2 H 3.05 . 1 33 . 15 MET N N 119.0 . 1 34 . 15 MET C C 178.2 . 1 35 . 15 MET CA C 54.3 . 1 36 . 15 MET CB C 29.2 . 1 37 . 15 MET H H 7.47 . 1 38 . 15 MET HA H 4.72 . 1 39 . 16 ASP N N 120.4 . 1 40 . 16 ASP C C 180.0 . 1 41 . 16 ASP CA C 57.7 . 1 42 . 16 ASP CB C 38.7 . 1 43 . 16 ASP H H 8.32 . 1 44 . 16 ASP HA H 4.49 . 1 45 . 17 ILE N N 122.1 . 1 46 . 17 ILE C C 177.3 . 1 47 . 17 ILE CA C 65.5 . 1 48 . 17 ILE CB C 37.2 . 1 49 . 17 ILE H H 8.09 . 1 50 . 17 ILE HA H 3.68 . 1 51 . 18 ALA N N 122.5 . 1 52 . 18 ALA C C 179.2 . 1 53 . 18 ALA CA C 55.7 . 1 54 . 18 ALA CB C 17.3 . 1 55 . 18 ALA H H 8.25 . 1 56 . 18 ALA HA H 3.77 . 1 57 . 19 TYR N N 117.6 . 1 58 . 19 TYR C C 176.2 . 1 59 . 19 TYR CA C 62.3 . 1 60 . 19 TYR CB C 36.9 . 1 61 . 19 TYR H H 8.91 . 1 62 . 19 TYR HA H 4.02 . 1 63 . 20 GLU N N 121.0 . 1 64 . 20 GLU C C 180.6 . 1 65 . 20 GLU CA C 59.6 . 1 66 . 20 GLU CB C 28.7 . 1 67 . 20 GLU H H 8.26 . 1 68 . 20 GLU HA H 3.64 . 1 69 . 21 GLU N N 118.2 . 1 70 . 21 GLU C C 177.8 . 1 71 . 21 GLU CA C 58.8 . 1 72 . 21 GLU CB C 29.3 . 1 73 . 21 GLU H H 8.23 . 1 74 . 21 GLU HA H 3.71 . 1 75 . 22 ALA N N 124.8 . 1 76 . 22 ALA C C 178.9 . 1 77 . 22 ALA CA C 55.6 . 1 78 . 22 ALA CB C 17.7 . 1 79 . 22 ALA H H 8.03 . 1 80 . 22 ALA HA H 3.52 . 1 81 . 23 ALA N N 119.4 . 1 82 . 23 ALA C C 180.9 . 1 83 . 23 ALA CA C 54.2 . 1 84 . 23 ALA CB C 16.4 . 1 85 . 23 ALA H H 8.43 . 1 86 . 23 ALA HA H 3.72 . 1 87 . 24 LEU N N 122.7 . 1 88 . 24 LEU C C 178.8 . 1 89 . 24 LEU CA C 57.0 . 1 90 . 24 LEU CB C 41.0 . 1 91 . 24 LEU H H 7.93 . 1 92 . 24 LEU HA H 3.95 . 1 93 . 25 GLY N N 106.5 . 1 94 . 25 GLY C C 176.5 . 1 95 . 25 GLY CA C 48.1 . 1 96 . 25 GLY H H 7.83 . 1 97 . 25 GLY HA2 H 3.75 . 1 98 . 25 GLY HA3 H 3.25 . 1 99 . 26 TYR N N 120.6 . 1 100 . 26 TYR C C 180.9 . 1 101 . 26 TYR CA C 60.5 . 1 102 . 26 TYR CB C 38.6 . 1 103 . 26 TYR H H 8.34 . 1 104 . 26 TYR HA H 3.95 . 1 105 . 27 LYS N N 122.7 . 1 106 . 27 LYS C C 178.3 . 1 107 . 27 LYS CA C 58.8 . 1 108 . 27 LYS CB C 31.6 . 1 109 . 27 LYS H H 7.93 . 1 110 . 27 LYS HA H 3.95 . 1 111 . 28 GLU N N 117.4 . 1 112 . 28 GLU C C 176.8 . 1 113 . 28 GLU CA C 56.3 . 1 114 . 28 GLU CB C 30.4 . 1 115 . 28 GLU H H 7.82 . 1 116 . 28 GLU HA H 4.12 . 1 117 . 29 GLY N N 106.1 . 1 118 . 29 GLY C C 176.0 . 1 119 . 29 GLY CA C 44.8 . 1 120 . 29 GLY H H 7.74 . 1 121 . 29 GLY HA2 H 4.26 . 1 122 . 29 GLY HA3 H 3.70 . 1 123 . 30 GLY N N 110.0 . 1 124 . 30 GLY C C 172.6 . 1 125 . 30 GLY CA C 43.0 . 1 126 . 30 GLY H H 8.42 . 1 127 . 30 GLY HA2 H 4.28 . 1 128 . 30 GLY HA3 H 3.95 . 1 129 . 31 VAL N N 119.1 . 1 130 . 31 VAL CA C 59.1 . 1 131 . 31 VAL CB C 32.2 . 1 132 . 31 VAL H H 8.51 . 1 133 . 31 VAL HA H 3.97 . 1 134 . 32 PRO C C 179.1 . 1 135 . 32 PRO CA C 61.4 . 1 136 . 32 PRO CB C 29.4 . 1 137 . 33 ILE N N 123.9 . 1 138 . 33 ILE C C 175.2 . 1 139 . 33 ILE CA C 61.2 . 1 140 . 33 ILE CB C 42.2 . 1 141 . 33 ILE H H 8.10 . 1 142 . 33 ILE HA H 4.02 . 1 143 . 34 GLY N N 113.9 . 1 144 . 34 GLY C C 173.0 . 1 145 . 34 GLY CA C 43.4 . 1 146 . 34 GLY H H 8.50 . 1 147 . 34 GLY HA2 H 4.32 . 1 148 . 34 GLY HA3 H 5.14 . 1 149 . 35 GLY N N 108.1 . 1 150 . 35 GLY C C 170.0 . 1 151 . 35 GLY CA C 45.5 . 1 152 . 35 GLY H H 9.18 . 1 153 . 35 GLY HA2 H 3.98 . 1 154 . 35 GLY HA3 H 3.22 . 1 155 . 36 CYS N N 110.2 . 1 156 . 36 CYS C C 171.3 . 1 157 . 36 CYS CA C 58.1 . 1 158 . 36 CYS CB C 30.9 . 1 159 . 36 CYS H H 8.70 . 1 160 . 36 CYS HA H 5.10 . 1 161 . 37 LEU N N 127.0 . 1 162 . 37 LEU C C 175.0 . 1 163 . 37 LEU CA C 53.6 . 1 164 . 37 LEU CB C 45.0 . 1 165 . 37 LEU H H 8.42 . 1 166 . 37 LEU HA H 5.60 . 1 167 . 38 ILE N N 128.5 . 1 168 . 38 ILE C C 174.9 . 1 169 . 38 ILE CA C 58.9 . 1 170 . 38 ILE CB C 42.4 . 1 171 . 38 ILE H H 8.88 . 1 172 . 38 ILE HA H 5.09 . 1 173 . 39 ASN N N 123.5 . 1 174 . 39 ASN C C 175.4 . 1 175 . 39 ASN CA C 53.0 . 1 176 . 39 ASN CB C 38.9 . 1 177 . 39 ASN H H 8.75 . 1 178 . 39 ASN HA H 4.54 . 1 179 . 40 ASN N N 125.6 . 1 180 . 40 ASN C C 177.7 . 1 181 . 40 ASN CA C 55.6 . 1 182 . 40 ASN CB C 37.3 . 1 183 . 40 ASN H H 8.86 . 1 184 . 40 ASN HA H 4.50 . 1 185 . 41 LYS N N 117.9 . 1 186 . 41 LYS C C 178.3 . 1 187 . 41 LYS CA C 58.9 . 1 188 . 41 LYS CB C 31.9 . 1 189 . 41 LYS H H 8.73 . 1 190 . 41 LYS HA H 4.33 . 1 191 . 42 ASP N N 113.3 . 1 192 . 42 ASP C C 176.5 . 1 193 . 42 ASP CA C 52.3 . 1 194 . 42 ASP CB C 41.6 . 1 195 . 42 ASP H H 7.10 . 1 196 . 42 ASP HA H 4.84 . 1 197 . 43 GLY N N 112.1 . 1 198 . 43 GLY C C 173.6 . 1 199 . 43 GLY CA C 44.0 . 1 200 . 43 GLY H H 7.81 . 1 201 . 43 GLY HA2 H 3.29 . 1 202 . 43 GLY HA3 H 2.96 . 1 203 . 44 SER N N 116.6 . 1 204 . 44 SER C C 173.2 . 1 205 . 44 SER CA C 58.8 . 1 206 . 44 SER CB C 63.3 . 1 207 . 44 SER H H 8.00 . 1 208 . 44 SER HA H 3.93 . 1 209 . 45 VAL N N 123.4 . 1 210 . 45 VAL C C 176.9 . 1 211 . 45 VAL CA C 61.8 . 1 212 . 45 VAL CB C 30.9 . 1 213 . 45 VAL H H 8.57 . 1 214 . 45 VAL HA H 4.11 . 1 215 . 46 LEU N N 131.9 . 1 216 . 46 LEU C C 176.9 . 1 217 . 46 LEU CA C 56.6 . 1 218 . 46 LEU CB C 41.3 . 1 219 . 46 LEU H H 9.15 . 1 220 . 46 LEU HA H 4.20 . 1 221 . 47 GLY N N 104.7 . 1 222 . 47 GLY C C 170.5 . 1 223 . 47 GLY CA C 44.9 . 1 224 . 47 GLY H H 7.35 . 1 225 . 47 GLY HA2 H 4.38 . 1 226 . 47 GLY HA3 H 4.15 . 1 227 . 48 ARG N N 116.1 . 1 228 . 48 ARG C C 173.7 . 1 229 . 48 ARG CA C 54.6 . 1 230 . 48 ARG CB C 33.5 . 1 231 . 48 ARG H H 8.47 . 1 232 . 48 ARG HA H 5.18 . 1 233 . 49 GLY N N 109.3 . 1 234 . 49 GLY C C 172.9 . 1 235 . 49 GLY CA C 45.2 . 1 236 . 49 GLY H H 8.26 . 1 237 . 49 GLY HA2 H 4.21 . 1 238 . 49 GLY HA3 H 3.56 . 1 239 . 50 HIS N N 110.4 . 1 240 . 50 HIS C C 172.9 . 1 241 . 50 HIS CA C 53.7 . 1 242 . 50 HIS CB C 32.3 . 1 243 . 50 HIS H H 8.70 . 1 244 . 50 HIS HA H 5.39 . 1 245 . 51 ASN N N 118.3 . 1 246 . 51 ASN C C 176.1 . 1 247 . 51 ASN CA C 54.1 . 1 248 . 51 ASN CB C 39.2 . 1 249 . 51 ASN H H 7.70 . 1 250 . 51 ASN HA H 4.55 . 1 251 . 52 MET N N 122.3 . 1 252 . 52 MET C C 177.3 . 1 253 . 52 MET CA C 52.4 . 1 254 . 52 MET CB C 32.3 . 1 255 . 52 MET H H 8.99 . 1 256 . 52 MET HA H 5.61 . 1 257 . 53 ARG N N 124.5 . 1 258 . 53 ARG C C 179.0 . 1 259 . 53 ARG CA C 59.6 . 1 260 . 53 ARG CB C 30.2 . 1 261 . 53 ARG H H 9.05 . 1 262 . 53 ARG HA H 4.55 . 1 263 . 54 PHE N N 115.3 . 1 264 . 54 PHE C C 178.4 . 1 265 . 54 PHE CA C 61.9 . 1 266 . 54 PHE CB C 38.1 . 1 267 . 54 PHE H H 8.61 . 1 268 . 54 PHE HA H 3.99 . 1 269 . 55 GLN N N 123.7 . 1 270 . 55 GLN C C 178.4 . 1 271 . 55 GLN CA C 60.0 . 1 272 . 55 GLN CB C 28.3 . 1 273 . 55 GLN H H 10.68 . 1 274 . 55 GLN HA H 4.00 . 1 275 . 56 LYS N N 112.5 . 1 276 . 56 LYS C C 176.7 . 1 277 . 56 LYS CA C 54.4 . 1 278 . 56 LYS CB C 33.0 . 1 279 . 56 LYS H H 8.21 . 1 280 . 56 LYS HA H 4.64 . 1 281 . 57 GLY N N 113.5 . 1 282 . 57 GLY C C 175.7 . 1 283 . 57 GLY CA C 47.2 . 1 284 . 57 GLY H H 7.48 . 1 285 . 57 GLY HA2 H 4.04 . 1 286 . 57 GLY HA3 H 3.85 . 1 287 . 58 SER N N 112.8 . 1 288 . 58 SER C C 174.7 . 1 289 . 58 SER CA C 56.1 . 1 290 . 58 SER CB C 64.7 . 1 291 . 58 SER H H 7.44 . 1 292 . 58 SER HA H 4.71 . 1 293 . 59 ALA N N 129.6 . 1 294 . 59 ALA C C 178.2 . 1 295 . 59 ALA CA C 51.4 . 1 296 . 59 ALA CB C 19.6 . 1 297 . 59 ALA H H 8.95 . 1 298 . 59 ALA HA H 4.40 . 1 299 . 60 THR N N 107.7 . 1 300 . 60 THR C C 175.5 . 1 301 . 60 THR CA C 62.1 . 1 302 . 60 THR CB C 70.4 . 1 303 . 60 THR H H 8.39 . 1 304 . 60 THR HA H 4.54 . 1 305 . 61 LEU N N 122.7 . 1 306 . 61 LEU C C 179.5 . 1 307 . 61 LEU CA C 53.7 . 1 308 . 61 LEU CB C 39.6 . 1 309 . 61 LEU H H 7.97 . 1 310 . 61 LEU HA H 4.32 . 1 311 . 62 HIS N N 123.6 . 1 312 . 62 HIS C C 176.9 . 1 313 . 62 HIS CA C 55.3 . 1 314 . 62 HIS CB C 34.4 . 1 315 . 62 HIS H H 7.97 . 1 316 . 62 HIS HA H 4.96 . 1 317 . 63 GLY N N 109.8 . 1 318 . 63 GLY C C 177.7 . 1 319 . 63 GLY CA C 48.8 . 1 320 . 63 GLY H H 9.97 . 1 321 . 63 GLY HA2 H 3.80 . 1 322 . 63 GLY HA3 H 3.24 . 1 323 . 64 GLU N N 124.3 . 1 324 . 64 GLU C C 177.6 . 1 325 . 64 GLU CA C 61.2 . 1 326 . 64 GLU CB C 25.8 . 1 327 . 64 GLU H H 11.96 . 1 328 . 64 GLU HA H 3.85 . 1 329 . 65 ILE N N 117.5 . 1 330 . 65 ILE C C 177.7 . 1 331 . 65 ILE CA C 61.2 . 1 332 . 65 ILE CB C 35.9 . 1 333 . 65 ILE H H 6.18 . 1 334 . 65 ILE HA H 3.72 . 1 335 . 66 SER N N 113.6 . 1 336 . 66 SER C C 177.1 . 1 337 . 66 SER CA C 59.7 . 1 338 . 66 SER CB C 64.2 . 1 339 . 66 SER H H 9.07 . 1 340 . 66 SER HA H 3.90 . 1 341 . 67 THR N N 115.5 . 1 342 . 67 THR C C 175.8 . 1 343 . 67 THR CA C 68.2 . 1 344 . 67 THR CB C 67.0 . 1 345 . 67 THR H H 8.09 . 1 346 . 67 THR HA H 4.34 . 1 347 . 68 LEU N N 119.7 . 1 348 . 68 LEU C C 180.1 . 1 349 . 68 LEU CA C 58.0 . 1 350 . 68 LEU CB C 40.7 . 1 351 . 68 LEU H H 7.42 . 1 352 . 68 LEU HA H 3.95 . 1 353 . 69 GLU N N 123.5 . 1 354 . 69 GLU C C 180.9 . 1 355 . 69 GLU CA C 57.9 . 1 356 . 69 GLU CB C 28.2 . 1 357 . 69 GLU H H 9.13 . 1 358 . 69 GLU HA H 4.20 . 1 359 . 70 ASN N N 119.6 . 1 360 . 70 ASN C C 177.3 . 1 361 . 70 ASN CA C 54.7 . 1 362 . 70 ASN CB C 37.5 . 1 363 . 70 ASN H H 8.62 . 1 364 . 70 ASN HA H 4.50 . 1 365 . 71 CYS N N 117.7 . 1 366 . 71 CYS C C 176.3 . 1 367 . 71 CYS CA C 60.6 . 1 368 . 71 CYS CB C 27.2 . 1 369 . 71 CYS H H 7.62 . 1 370 . 71 CYS HA H 4.49 . 1 371 . 72 GLY N N 104.1 . 1 372 . 72 GLY C C 175.9 . 1 373 . 72 GLY CA C 43.7 . 1 374 . 72 GLY H H 7.04 . 1 375 . 72 GLY HA2 H 4.20 . 1 376 . 72 GLY HA3 H 4.12 . 1 377 . 73 ARG N N 116.1 . 1 378 . 73 ARG C C 176.9 . 1 379 . 73 ARG CA C 57.4 . 1 380 . 73 ARG CB C 30.0 . 1 381 . 73 ARG H H 8.13 . 1 382 . 73 ARG HA H 3.79 . 1 383 . 74 LEU N N 126.3 . 1 384 . 74 LEU C C 176.3 . 1 385 . 74 LEU CA C 53.0 . 1 386 . 74 LEU CB C 44.6 . 1 387 . 74 LEU H H 8.44 . 1 388 . 74 LEU HA H 4.57 . 1 389 . 75 GLU N N 120.4 . 1 390 . 75 GLU C C 177.7 . 1 391 . 75 GLU CA C 57.0 . 1 392 . 75 GLU CB C 29.8 . 1 393 . 75 GLU H H 8.20 . 1 394 . 75 GLU HA H 4.24 . 1 395 . 76 GLY N N 112.5 . 1 396 . 76 GLY C C 178.1 . 1 397 . 76 GLY CA C 47.7 . 1 398 . 76 GLY H H 9.26 . 1 399 . 76 GLY HA2 H 4.09 . 1 400 . 76 GLY HA3 H 3.84 . 1 401 . 77 LYS N N 118.5 . 1 402 . 77 LYS C C 179.3 . 1 403 . 77 LYS CA C 58.0 . 1 404 . 77 LYS CB C 31.0 . 1 405 . 77 LYS H H 8.56 . 1 406 . 77 LYS HA H 4.20 . 1 407 . 78 VAL N N 121.8 . 1 408 . 78 VAL C C 178.6 . 1 409 . 78 VAL CA C 65.5 . 1 410 . 78 VAL CB C 30.7 . 1 411 . 78 VAL H H 8.08 . 1 412 . 78 VAL HA H 3.46 . 1 413 . 79 TYR N N 112.5 . 1 414 . 79 TYR C C 178.0 . 1 415 . 79 TYR CA C 60.4 . 1 416 . 79 TYR CB C 39.6 . 1 417 . 79 TYR H H 6.78 . 1 418 . 79 TYR HA H 3.84 . 1 419 . 80 LYS N N 110.5 . 1 420 . 80 LYS C C 175.9 . 1 421 . 80 LYS CA C 55.7 . 1 422 . 80 LYS CB C 30.2 . 1 423 . 80 LYS H H 7.21 . 1 424 . 80 LYS HA H 4.39 . 1 425 . 81 ASP N N 117.8 . 1 426 . 81 ASP C C 174.6 . 1 427 . 81 ASP CA C 53.2 . 1 428 . 81 ASP CB C 40.6 . 1 429 . 81 ASP H H 7.24 . 1 430 . 81 ASP HA H 5.39 . 1 431 . 82 THR N N 109.2 . 1 432 . 82 THR C C 174.6 . 1 433 . 82 THR CA C 60.2 . 1 434 . 82 THR CB C 73.3 . 1 435 . 82 THR H H 6.69 . 1 436 . 82 THR HA H 5.37 . 1 437 . 83 THR N N 112.2 . 1 438 . 83 THR C C 173.3 . 1 439 . 83 THR CA C 61.8 . 1 440 . 83 THR CB C 72.7 . 1 441 . 83 THR H H 8.53 . 1 442 . 83 THR HA H 4.88 . 1 443 . 84 LEU N N 126.6 . 1 444 . 84 LEU C C 173.7 . 1 445 . 84 LEU CA C 53.7 . 1 446 . 84 LEU CB C 42.7 . 1 447 . 84 LEU H H 8.04 . 1 448 . 84 LEU HA H 5.18 . 1 449 . 85 TYR N N 127.7 . 1 450 . 85 TYR C C 174.8 . 1 451 . 85 TYR CA C 56.6 . 1 452 . 85 TYR CB C 39.3 . 1 453 . 85 TYR H H 9.48 . 1 454 . 85 TYR HA H 5.21 . 1 455 . 86 THR N N 116.1 . 1 456 . 86 THR C C 174.5 . 1 457 . 86 THR CA C 56.8 . 1 458 . 86 THR CB C 69.8 . 1 459 . 86 THR H H 9.09 . 1 460 . 86 THR HA H 5.80 . 1 461 . 87 THR N N 119.5 . 1 462 . 87 THR C C 173.6 . 1 463 . 87 THR CA C 65.4 . 1 464 . 87 THR CB C 67.7 . 1 465 . 87 THR H H 8.99 . 1 466 . 87 THR HA H 4.13 . 1 467 . 88 LEU N N 122.4 . 1 468 . 88 LEU C C 173.7 . 1 469 . 88 LEU CA C 52.7 . 1 470 . 88 LEU CB C 46.5 . 1 471 . 88 LEU H H 7.40 . 1 472 . 88 LEU HA H 5.24 . 1 473 . 89 SER N N 118.4 . 1 474 . 89 SER CA C 56.7 . 1 475 . 89 SER CB C 64.7 . 1 476 . 89 SER H H 7.03 . 1 477 . 89 SER HA H 4.15 . 1 478 . 90 PRO C C 180.1 . 1 479 . 90 PRO CA C 62.3 . 1 480 . 90 PRO CB C 31.9 . 1 481 . 91 CYS N N 119.7 . 1 482 . 91 CYS C C 176.3 . 1 483 . 91 CYS CA C 58.4 . 1 484 . 91 CYS CB C 28.1 . 1 485 . 91 CYS H H 8.14 . 1 486 . 91 CYS HA H 4.70 . 1 487 . 92 ASP N N 118.2 . 1 488 . 92 ASP C C 177.9 . 1 489 . 92 ASP CA C 59.4 . 1 490 . 92 ASP CB C 42.7 . 1 491 . 92 ASP H H 9.22 . 1 492 . 92 ASP HA H 4.21 . 1 493 . 93 MET N N 124.5 . 1 494 . 93 MET C C 175.4 . 1 495 . 93 MET CA C 59.9 . 1 496 . 93 MET CB C 33.9 . 1 497 . 93 MET H H 8.60 . 1 498 . 93 MET HA H 3.86 . 1 499 . 94 CYS N N 126.8 . 1 500 . 94 CYS C C 178.3 . 1 501 . 94 CYS CA C 64.4 . 1 502 . 94 CYS CB C 31.2 . 1 503 . 94 CYS H H 8.10 . 1 504 . 94 CYS HA H 3.76 . 1 505 . 95 THR N N 116.2 . 1 506 . 95 THR C C 175.3 . 1 507 . 95 THR CA C 67.9 . 1 508 . 95 THR CB C 67.9 . 1 509 . 95 THR H H 8.57 . 1 510 . 95 THR HA H 4.15 . 1 511 . 96 GLY N N 107.2 . 1 512 . 96 GLY C C 174.9 . 1 513 . 96 GLY CA C 47.5 . 1 514 . 96 GLY H H 7.21 . 1 515 . 96 GLY HA2 H 3.98 . 1 516 . 96 GLY HA3 H 3.43 . 1 517 . 97 ALA N N 124.6 . 1 518 . 97 ALA C C 177.6 . 1 519 . 97 ALA CA C 55.5 . 1 520 . 97 ALA CB C 18.0 . 1 521 . 97 ALA H H 7.70 . 1 522 . 97 ALA HA H 3.91 . 1 523 . 98 ILE N N 117.7 . 1 524 . 98 ILE C C 177.6 . 1 525 . 98 ILE CA C 65.2 . 1 526 . 98 ILE CB C 38.1 . 1 527 . 98 ILE H H 7.42 . 1 528 . 98 ILE HA H 3.43 . 1 529 . 99 ILE N N 117.2 . 1 530 . 99 ILE C C 179.9 . 1 531 . 99 ILE CA C 63.7 . 1 532 . 99 ILE CB C 38.0 . 1 533 . 99 ILE H H 7.62 . 1 534 . 99 ILE HA H 3.64 . 1 535 . 100 MET N N 123.5 . 1 536 . 100 MET C C 178.3 . 1 537 . 100 MET CA C 60.4 . 1 538 . 100 MET CB C 31.7 . 1 539 . 100 MET H H 8.90 . 1 540 . 100 MET HA H 3.90 . 1 541 . 101 TYR N N 112.8 . 1 542 . 101 TYR C C 176.8 . 1 543 . 101 TYR CA C 60.7 . 1 544 . 101 TYR CB C 37.6 . 1 545 . 101 TYR H H 7.57 . 1 546 . 101 TYR HA H 4.23 . 1 547 . 102 GLY N N 111.3 . 1 548 . 102 GLY C C 174.5 . 1 549 . 102 GLY CA C 46.7 . 1 550 . 102 GLY H H 8.00 . 1 551 . 102 GLY HA2 H 4.20 . 1 552 . 102 GLY HA3 H 3.78 . 1 553 . 103 ILE N N 124.9 . 1 554 . 103 ILE H H 7.67 . 1 555 . 103 ILE HA H 4.39 . 1 556 . 104 PRO C C 176.1 . 1 557 . 104 PRO CA C 65.0 . 1 558 . 104 PRO CB C 33.1 . 1 559 . 105 ARG N N 118.9 . 1 560 . 105 ARG C C 172.7 . 1 561 . 105 ARG CA C 54.4 . 1 562 . 105 ARG CB C 33.0 . 1 563 . 105 ARG H H 7.07 . 1 564 . 105 ARG HA H 5.35 . 1 565 . 106 CYS N N 125.8 . 1 566 . 106 CYS C C 172.5 . 1 567 . 106 CYS CA C 56.0 . 1 568 . 106 CYS CB C 28.6 . 1 569 . 106 CYS H H 9.09 . 1 570 . 106 CYS HA H 5.43 . 1 571 . 107 VAL N N 130.7 . 1 572 . 107 VAL C C 173.6 . 1 573 . 107 VAL CA C 56.0 . 1 574 . 107 VAL CB C 31.5 . 1 575 . 107 VAL H H 8.69 . 1 576 . 107 VAL HA H 4.73 . 1 577 . 108 VAL N N 127.5 . 1 578 . 108 VAL C C 177.5 . 1 579 . 108 VAL CA C 60.1 . 1 580 . 108 VAL CB C 34.6 . 1 581 . 108 VAL H H 9.41 . 1 582 . 108 VAL HA H 4.80 . 1 583 . 109 GLY N N 115.4 . 1 584 . 109 GLY C C 173.3 . 1 585 . 109 GLY CA C 48.8 . 1 586 . 109 GLY H H 9.95 . 1 587 . 109 GLY HA2 H 4.36 . 1 588 . 109 GLY HA3 H 3.89 . 1 589 . 110 GLU N N 114.4 . 1 590 . 110 GLU C C 173.2 . 1 591 . 110 GLU CA C 55.0 . 1 592 . 110 GLU CB C 29.2 . 1 593 . 110 GLU H H 7.38 . 1 594 . 110 GLU HA H 4.85 . 1 595 . 111 ASN N N 119.1 . 1 596 . 111 ASN C C 175.3 . 1 597 . 111 ASN CA C 50.4 . 1 598 . 111 ASN CB C 39.2 . 1 599 . 111 ASN H H 8.43 . 1 600 . 111 ASN HA H 5.28 . 1 601 . 112 VAL N N 121.4 . 1 602 . 112 VAL C C 179.4 . 1 603 . 112 VAL CA C 64.2 . 1 604 . 112 VAL CB C 32.6 . 1 605 . 112 VAL H H 9.32 . 1 606 . 112 VAL HA H 3.87 . 1 607 . 113 ASN N N 120.4 . 1 608 . 113 ASN C C 174.9 . 1 609 . 113 ASN CA C 56.2 . 1 610 . 113 ASN CB C 37.9 . 1 611 . 113 ASN H H 10.89 . 1 612 . 113 ASN HA H 4.43 . 1 613 . 114 PHE N N 115.8 . 1 614 . 114 PHE C C 171.1 . 1 615 . 114 PHE CA C 58.1 . 1 616 . 114 PHE CB C 42.5 . 1 617 . 114 PHE H H 6.87 . 1 618 . 114 PHE HA H 4.57 . 1 619 . 115 LYS N N 121.8 . 1 620 . 115 LYS C C 173.9 . 1 621 . 115 LYS CA C 55.2 . 1 622 . 115 LYS CB C 33.8 . 1 623 . 115 LYS H H 6.73 . 1 624 . 115 LYS HA H 3.90 . 1 625 . 116 SER N N 122.7 . 1 626 . 116 SER C C 176.3 . 1 627 . 116 SER CA C 56.0 . 1 628 . 116 SER CB C 67.2 . 1 629 . 116 SER H H 9.39 . 1 630 . 116 SER HA H 4.60 . 1 631 . 117 LYS N N 123.2 . 1 632 . 117 LYS C C 178.0 . 1 633 . 117 LYS CA C 58.5 . 1 634 . 117 LYS CB C 31.5 . 1 635 . 117 LYS H H 9.46 . 1 636 . 117 LYS HA H 4.13 . 1 637 . 118 GLY N N 109.6 . 1 638 . 118 GLY C C 175.0 . 1 639 . 118 GLY CA C 46.9 . 1 640 . 118 GLY H H 9.02 . 1 641 . 118 GLY HA2 H 4.24 . 1 642 . 118 GLY HA3 H 4.06 . 1 643 . 119 GLU N N 119.9 . 1 644 . 119 GLU C C 178.6 . 1 645 . 119 GLU CA C 61.5 . 1 646 . 119 GLU CB C 29.4 . 1 647 . 119 GLU H H 7.05 . 1 648 . 119 GLU HA H 3.69 . 1 649 . 120 LYS N N 115.8 . 1 650 . 120 LYS C C 179.1 . 1 651 . 120 LYS CA C 57.5 . 1 652 . 120 LYS CB C 32.0 . 1 653 . 120 LYS H H 7.74 . 1 654 . 120 LYS HA H 4.34 . 1 655 . 121 TYR N N 123.4 . 1 656 . 121 TYR C C 178.2 . 1 657 . 121 TYR CA C 60.5 . 1 658 . 121 TYR CB C 38.4 . 1 659 . 121 TYR H H 8.10 . 1 660 . 121 TYR HA H 4.54 . 1 661 . 122 LEU N N 117.8 . 1 662 . 122 LEU C C 178.8 . 1 663 . 122 LEU CA C 58.5 . 1 664 . 122 LEU CB C 41.8 . 1 665 . 122 LEU H H 8.84 . 1 666 . 122 LEU HA H 3.43 . 1 667 . 123 GLN N N 117.2 . 1 668 . 123 GLN C C 181.0 . 1 669 . 123 GLN CA C 58.6 . 1 670 . 123 GLN CB C 28.2 . 1 671 . 123 GLN H H 6.95 . 1 672 . 123 GLN HA H 4.51 . 1 673 . 124 THR N N 119.5 . 1 674 . 124 THR C C 176.3 . 1 675 . 124 THR CA C 65.8 . 1 676 . 124 THR CB C 68.5 . 1 677 . 124 THR H H 8.72 . 1 678 . 124 THR HA H 4.07 . 1 679 . 125 ARG N N 118.3 . 1 680 . 125 ARG C C 175.8 . 1 681 . 125 ARG CA C 53.9 . 1 682 . 125 ARG CB C 27.1 . 1 683 . 125 ARG H H 7.77 . 1 684 . 125 ARG HA H 4.32 . 1 685 . 126 GLY N N 107.3 . 1 686 . 126 GLY C C 174.1 . 1 687 . 126 GLY CA C 45.4 . 1 688 . 126 GLY H H 7.78 . 1 689 . 126 GLY HA2 H 4.18 . 1 690 . 126 GLY HA3 H 3.74 . 1 691 . 127 HIS N N 121.2 . 1 692 . 127 HIS C C 174.0 . 1 693 . 127 HIS CA C 55.1 . 1 694 . 127 HIS CB C 29.6 . 1 695 . 127 HIS H H 8.43 . 1 696 . 127 HIS HA H 4.37 . 1 697 . 128 GLU N N 123.8 . 1 698 . 128 GLU C C 174.6 . 1 699 . 128 GLU CA C 55.1 . 1 700 . 128 GLU CB C 30.6 . 1 701 . 128 GLU H H 8.50 . 1 702 . 128 GLU HA H 4.54 . 1 703 . 129 VAL N N 127.3 . 1 704 . 129 VAL C C 175.5 . 1 705 . 129 VAL CA C 60.4 . 1 706 . 129 VAL CB C 33.4 . 1 707 . 129 VAL H H 8.57 . 1 708 . 129 VAL HA H 5.07 . 1 709 . 130 VAL N N 130.4 . 1 710 . 130 VAL C C 173.9 . 1 711 . 130 VAL CA C 60.6 . 1 712 . 130 VAL CB C 34.2 . 1 713 . 130 VAL H H 8.71 . 1 714 . 130 VAL HA H 4.29 . 1 715 . 131 VAL N N 128.1 . 1 716 . 131 VAL C C 177.7 . 1 717 . 131 VAL CA C 60.8 . 1 718 . 131 VAL CB C 31.4 . 1 719 . 131 VAL H H 8.94 . 1 720 . 131 VAL HA H 4.76 . 1 721 . 132 VAL N N 123.5 . 1 722 . 132 VAL C C 176.4 . 1 723 . 132 VAL CA C 62.9 . 1 724 . 132 VAL CB C 31.6 . 1 725 . 132 VAL H H 8.94 . 1 726 . 132 VAL HA H 4.14 . 1 727 . 133 ASP N N 122.9 . 1 728 . 133 ASP C C 174.4 . 1 729 . 133 ASP CA C 55.1 . 1 730 . 133 ASP CB C 38.9 . 1 731 . 133 ASP H H 7.51 . 1 732 . 133 ASP HA H 4.52 . 1 733 . 134 ASP N N 120.1 . 1 734 . 134 ASP C C 177.4 . 1 735 . 134 ASP CA C 54.1 . 1 736 . 134 ASP CB C 43.0 . 1 737 . 134 ASP H H 9.03 . 1 738 . 134 ASP HA H 4.51 . 1 739 . 135 GLU N N 128.8 . 1 740 . 135 GLU C C 178.3 . 1 741 . 135 GLU CA C 58.7 . 1 742 . 135 GLU CB C 29.1 . 1 743 . 135 GLU H H 9.15 . 1 744 . 135 GLU HA H 3.80 . 1 745 . 136 ARG N N 117.8 . 1 746 . 136 ARG C C 181.1 . 1 747 . 136 ARG CA C 57.9 . 1 748 . 136 ARG CB C 29.0 . 1 749 . 136 ARG H H 8.07 . 1 750 . 136 ARG HA H 3.84 . 1 751 . 137 CYS N N 118.4 . 1 752 . 137 CYS C C 174.8 . 1 753 . 137 CYS CA C 62.2 . 1 754 . 137 CYS CB C 26.8 . 1 755 . 137 CYS H H 7.43 . 1 756 . 137 CYS HA H 4.24 . 1 757 . 138 LYS N N 116.9 . 1 758 . 138 LYS C C 178.9 . 1 759 . 138 LYS CA C 59.2 . 1 760 . 138 LYS CB C 31.3 . 1 761 . 138 LYS H H 7.42 . 1 762 . 138 LYS HA H 3.70 . 1 763 . 139 LYS N N 116.0 . 1 764 . 139 LYS C C 179.1 . 1 765 . 139 LYS CA C 59.2 . 1 766 . 139 LYS CB C 32.5 . 1 767 . 139 LYS H H 7.75 . 1 768 . 139 LYS HA H 3.96 . 1 769 . 140 ILE N N 120.2 . 1 770 . 140 ILE C C 176.1 . 1 771 . 140 ILE CA C 64.3 . 1 772 . 140 ILE CB C 37.9 . 1 773 . 140 ILE H H 7.48 . 1 774 . 140 ILE HA H 4.04 . 1 775 . 141 MET N N 122.3 . 1 776 . 141 MET C C 178.2 . 1 777 . 141 MET CA C 55.4 . 1 778 . 141 MET CB C 31.9 . 1 779 . 141 MET H H 7.60 . 1 780 . 141 MET HA H 4.55 . 1 781 . 142 LYS N N 119.8 . 1 782 . 142 LYS C C 177.8 . 1 783 . 142 LYS CA C 58.8 . 1 784 . 142 LYS CB C 31.8 . 1 785 . 142 LYS H H 7.72 . 1 786 . 142 LYS HA H 3.74 . 1 787 . 143 GLN N N 116.6 . 1 788 . 143 GLN C C 175.6 . 1 789 . 143 GLN CA C 58.7 . 1 790 . 143 GLN CB C 27.4 . 1 791 . 143 GLN H H 7.59 . 1 792 . 143 GLN HA H 4.05 . 1 793 . 144 PHE N N 119.1 . 1 794 . 144 PHE C C 180.1 . 1 795 . 144 PHE CA C 61.7 . 1 796 . 144 PHE CB C 40.0 . 1 797 . 144 PHE H H 7.51 . 1 798 . 144 PHE HA H 4.70 . 1 799 . 145 ILE N N 119.9 . 1 800 . 145 ILE C C 177.7 . 1 801 . 145 ILE CA C 65.8 . 1 802 . 145 ILE CB C 37.5 . 1 803 . 145 ILE H H 8.16 . 1 804 . 145 ILE HA H 3.08 . 1 805 . 146 ASP N N 116.8 . 1 806 . 146 ASP C C 178.7 . 1 807 . 146 ASP CA C 56.5 . 1 808 . 146 ASP CB C 40.0 . 1 809 . 146 ASP H H 8.30 . 1 810 . 146 ASP HA H 4.36 . 1 811 . 147 GLU N N 116.9 . 1 812 . 147 GLU C C 177.6 . 1 813 . 147 GLU CA C 57.4 . 1 814 . 147 GLU CB C 30.1 . 1 815 . 147 GLU H H 7.78 . 1 816 . 147 GLU HA H 4.27 . 1 817 . 148 ARG N N 120.8 . 1 818 . 148 ARG CA C 53.5 . 1 819 . 148 ARG CB C 30.5 . 1 820 . 148 ARG H H 8.48 . 1 821 . 148 ARG HA H 4.58 . 1 822 . 149 PRO C C 178.3 . 1 823 . 149 PRO CA C 65.6 . 1 824 . 149 PRO CB C 29.9 . 1 825 . 150 GLN N N 113.3 . 1 826 . 150 GLN C C 178.7 . 1 827 . 150 GLN CA C 58.7 . 1 828 . 150 GLN CB C 26.9 . 1 829 . 150 GLN H H 8.24 . 1 830 . 150 GLN HA H 4.24 . 1 831 . 151 ASP N N 122.6 . 1 832 . 151 ASP C C 177.0 . 1 833 . 151 ASP CA C 56.5 . 1 834 . 151 ASP CB C 41.3 . 1 835 . 151 ASP H H 7.29 . 1 836 . 151 ASP HA H 4.67 . 1 837 . 152 TRP N N 119.7 . 1 838 . 152 TRP C C 176.4 . 1 839 . 152 TRP CA C 58.1 . 1 840 . 152 TRP CB C 29.9 . 1 841 . 152 TRP H H 7.55 . 1 842 . 152 TRP HA H 5.10 . 1 843 . 153 PHE N N 114.1 . 1 844 . 153 PHE C C 178.7 . 1 845 . 153 PHE CA C 59.0 . 1 846 . 153 PHE CB C 36.0 . 1 847 . 153 PHE H H 8.41 . 1 848 . 153 PHE HA H 4.00 . 1 849 . 154 GLU N N 117.9 . 1 850 . 154 GLU C C 177.8 . 1 851 . 154 GLU CA C 59.1 . 1 852 . 154 GLU CB C 29.5 . 1 853 . 154 GLU H H 7.74 . 1 854 . 154 GLU HA H 4.42 . 1 855 . 155 ASP N N 118.8 . 1 856 . 155 ASP C C 176.3 . 1 857 . 155 ASP CA C 55.9 . 1 858 . 155 ASP CB C 42.8 . 1 859 . 155 ASP H H 7.52 . 1 860 . 155 ASP HA H 4.01 . 1 861 . 156 ILE N N 105.2 . 1 862 . 156 ILE C C 176.4 . 1 863 . 156 ILE CA C 59.7 . 1 864 . 156 ILE CB C 37.3 . 1 865 . 156 ILE H H 6.77 . 1 866 . 156 ILE HA H 4.64 . 1 867 . 157 GLY N N 108.9 . 1 868 . 157 GLY C C 174.2 . 1 869 . 157 GLY CA C 47.5 . 1 870 . 157 GLY H H 7.68 . 1 871 . 157 GLY HA2 H 4.29 . 1 872 . 157 GLY HA3 H 3.90 . 1 873 . 158 GLU N N 126.2 . 1 874 . 158 GLU CA C 57.1 . 1 875 . 158 GLU CB C 30.8 . 1 876 . 158 GLU H H 8.53 . 1 877 . 158 GLU HA H 4.29 . 1 stop_ save_