data_27754 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; The cytoplasm-entry domain of antibacterial CdiA is a dynamic alpha-helical bundle with disulfide-dependent structural features ; _BMRB_accession_number 27754 _BMRB_flat_file_name bmr27754.str _Entry_type original _Submission_date 2019-01-16 _Accession_date 2019-01-16 _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 Bartelli Nicholas L. . 2 Sun Sheng . . 3 Gucinski Grant C. . 4 Zhou Hongjun . . 5 Song Kiho . . 6 Hayes Christopher S. . 7 Dahlquist Frederick . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 674 "13C chemical shifts" 424 "15N chemical shifts" 138 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2019-09-23 update BMRB 'update entry citation' 2019-01-18 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 27753 'CdiA-CT MHI813 cytoplasm entry domain monomer' 27755 'CdiA-CT MHI813 Cys49Ser Cys56Ser cytoplasm entry domain monomer' stop_ _Original_release_date 2019-01-16 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; The Cytoplasm-Entry Domain of Antibacterial CdiA Is a Dynamic alpha-Helical Bundle with Disulfide-Dependent Structural Features ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 31181288 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Bartelli Nicholas L. . 2 Sun Sheng . . 3 Gucinski Grant C. . 4 Zhou Hongjun . . 5 Song Kiho . . 6 Hayes Christopher S. . 7 Dahlquist Frederick W. . stop_ _Journal_abbreviation 'J. Mol. Biol.' _Journal_volume 431 _Journal_issue 17 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last 3203 _Year 3216 _Details 2019 loop_ _Keyword CdiA MetI T5SS antibacterial 'cytoplasm entry' stop_ save_ ################################## # Molecular system description # ################################## save_assembly_1 _Saveframe_category molecular_system _Mol_system_name 'CdiA-CT C21S C27S' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'CdiA-CT C21S C27S' $CdiA-CT_C21S_C27S stop_ _System_molecular_weight 15911 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . loop_ _Biological_function 'entry of nuclease toxin into bacterial cytoplasm' 'metI dependent bacterial cytoplasm entry' stop_ _Database_query_date . _Details 'CdiA-CT MHI813 Cys21Ser Cys27Ser cytoplasm entry domain monomer' save_ ######################## # Monomeric polymers # ######################## save_CdiA-CT_C21S_C27S _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common CdiA-CT_C21S_C27S _Molecular_mass 15911 _Mol_thiol_state 'all disulfide bound' loop_ _Biological_function 'Entry of nuclease toxin into bacterial cytoplasm' 'metI dependent bacterial cytoplasm entry' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 150 _Mol_residue_sequence ; VENNFLTADQIDSFAAKAKG SEVRGDSKQIVKEMEELSLK QQQEMIAVCATNPAACKEKF GDIPAKGMLVREAIDRVLGT DVPSAMKNDMSSLLAQQIEA EGVVTSTEFASQLQNRYGID KQQAEILAVAALGAVTGGMG KSGTSTVTKN ; loop_ _Residue_seq_code _Residue_label 1 VAL 2 GLU 3 ASN 4 ASN 5 PHE 6 LEU 7 THR 8 ALA 9 ASP 10 GLN 11 ILE 12 ASP 13 SER 14 PHE 15 ALA 16 ALA 17 LYS 18 ALA 19 LYS 20 GLY 21 SER 22 GLU 23 VAL 24 ARG 25 GLY 26 ASP 27 SER 28 LYS 29 GLN 30 ILE 31 VAL 32 LYS 33 GLU 34 MET 35 GLU 36 GLU 37 LEU 38 SER 39 LEU 40 LYS 41 GLN 42 GLN 43 GLN 44 GLU 45 MET 46 ILE 47 ALA 48 VAL 49 CYS 50 ALA 51 THR 52 ASN 53 PRO 54 ALA 55 ALA 56 CYS 57 LYS 58 GLU 59 LYS 60 PHE 61 GLY 62 ASP 63 ILE 64 PRO 65 ALA 66 LYS 67 GLY 68 MET 69 LEU 70 VAL 71 ARG 72 GLU 73 ALA 74 ILE 75 ASP 76 ARG 77 VAL 78 LEU 79 GLY 80 THR 81 ASP 82 VAL 83 PRO 84 SER 85 ALA 86 MET 87 LYS 88 ASN 89 ASP 90 MET 91 SER 92 SER 93 LEU 94 LEU 95 ALA 96 GLN 97 GLN 98 ILE 99 GLU 100 ALA 101 GLU 102 GLY 103 VAL 104 VAL 105 THR 106 SER 107 THR 108 GLU 109 PHE 110 ALA 111 SER 112 GLN 113 LEU 114 GLN 115 ASN 116 ARG 117 TYR 118 GLY 119 ILE 120 ASP 121 LYS 122 GLN 123 GLN 124 ALA 125 GLU 126 ILE 127 LEU 128 ALA 129 VAL 130 ALA 131 ALA 132 LEU 133 GLY 134 ALA 135 VAL 136 THR 137 GLY 138 GLY 139 MET 140 GLY 141 LYS 142 SER 143 GLY 144 THR 145 SER 146 THR 147 VAL 148 THR 149 LYS 150 ASN stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . 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 NCBI WP_001383049.1 . . . . . . stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Strain _Gene_mnemonic _Details $CdiA-CT_C21S_C27S 'E. coli' 562 Bacteria . Escherichia coli MHI813 cdiA 'antibacterial contact dependent inhibition toxin' 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 $CdiA-CT_C21S_C27S 'recombinant technology' . Escherichia coli . pET21d stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details 'CdiA-CT Cys21Ser Cys27Ser with cysteines oxidized as a disulfide' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $CdiA-CT_C21S_C27S 1.2 mM '[U-99% 13C; U-99% 15N]' 'sodium phosphate' 50 mM 'natural abundance' 'sodium azide' 3 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_ANSIG _Saveframe_category software _Name ANSIG _Version . loop_ _Vendor _Address _Electronic_address Kraulis . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_3D_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details 'These details applicable to all samples' loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.1 . M pH 6.5 . pH pressure 1 . atm temperature 273 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $ANSIG stop_ loop_ _Experiment_label '3D HNCACB' '3D CBCA(CO)NH' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'CdiA-CT C21S C27S' _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 1 1 VAL H H 8.09 0.02 1 2 1 1 VAL HA H 4.06 0.02 1 3 1 1 VAL HB H 2.06 0.02 1 4 1 1 VAL HG1 H 0.92 0.02 1 5 1 1 VAL HG2 H 0.92 0.02 1 6 1 1 VAL CA C 62.52 0.3 1 7 1 1 VAL CB C 32.63 0.3 1 8 1 1 VAL CG1 C 21.1 0.3 1 9 1 1 VAL CG2 C 20.22 0.3 1 10 1 1 VAL N N 124.64 0.15 1 11 2 2 GLU H H 8.57 0.02 1 12 2 2 GLU HA H 4.25 0.02 1 13 2 2 GLU HB2 H 2.02 0.02 2 14 2 2 GLU HB3 H 1.92 0.02 2 15 2 2 GLU HG2 H 2.23 0.02 1 16 2 2 GLU HG3 H 2.23 0.02 1 17 2 2 GLU CA C 56.73 0.3 1 18 2 2 GLU CB C 30.09 0.3 1 19 2 2 GLU CG C 36.28 0.3 1 20 2 2 GLU N N 123.59 0.15 1 21 3 3 ASN H H 8.34 0.02 1 22 3 3 ASN HA H 4.62 0.02 1 23 3 3 ASN HB2 H 2.68 0.02 1 24 3 3 ASN HB3 H 2.68 0.02 1 25 3 3 ASN CA C 53.23 0.3 1 26 3 3 ASN CB C 38.94 0.3 1 27 3 3 ASN N N 119.49 0.15 1 28 4 4 ASN H H 8.28 0.02 1 29 4 4 ASN HA H 4.63 0.02 1 30 4 4 ASN HB2 H 2.67 0.02 1 31 4 4 ASN HB3 H 2.67 0.02 1 32 4 4 ASN CA C 53.32 0.3 1 33 4 4 ASN CB C 38.79 0.3 1 34 4 4 ASN N N 119.08 0.15 1 35 5 5 PHE H H 8.11 0.02 1 36 5 5 PHE HA H 4.59 0.02 1 37 5 5 PHE HB2 H 3.03 0.02 2 38 5 5 PHE HB3 H 3.17 0.02 2 39 5 5 PHE CA C 57.81 0.3 1 40 5 5 PHE CB C 39.27 0.3 1 41 5 5 PHE N N 119.67 0.15 1 42 6 6 LEU H H 8.05 0.02 1 43 6 6 LEU HA H 4.44 0.02 1 44 6 6 LEU HB2 H 1.63 0.02 1 45 6 6 LEU HB3 H 1.63 0.02 1 46 6 6 LEU HG H 1.54 0.02 1 47 6 6 LEU HD1 H 0.85 0.02 1 48 6 6 LEU HD2 H 0.85 0.02 1 49 6 6 LEU CA C 55.04 0.3 1 50 6 6 LEU CB C 42.81 0.3 1 51 6 6 LEU CG C 27.01 0.3 1 52 6 6 LEU CD1 C 25.26 0.3 1 53 6 6 LEU CD2 C 23.65 0.3 1 54 6 6 LEU N N 122.55 0.15 1 55 7 7 THR H H 8.08 0.02 1 56 7 7 THR HA H 4.36 0.02 1 57 7 7 THR HB H 4.08 0.02 1 58 7 7 THR HG2 H 1.22 0.02 1 59 7 7 THR CA C 61.3 0.3 1 60 7 7 THR CB C 70.15 0.3 1 61 7 7 THR CG2 C 21.77 0.3 1 62 7 7 THR N N 113.58 0.15 1 63 8 8 ALA H H 8.41 0.02 1 64 8 8 ALA HA H 4.21 0.02 1 65 8 8 ALA HB H 1.41 0.02 1 66 8 8 ALA CA C 53.65 0.3 1 67 8 8 ALA CB C 18.99 0.3 1 68 8 8 ALA N N 124.98 0.15 1 69 9 9 ASP H H 8.27 0.02 1 70 9 9 ASP HA H 4.49 0.02 1 71 9 9 ASP HB2 H 2.62 0.02 1 72 9 9 ASP HB3 H 2.62 0.02 1 73 9 9 ASP CA C 55.08 0.3 1 74 9 9 ASP CB C 40.89 0.3 1 75 9 9 ASP N N 117.45 0.15 1 76 10 10 GLN H H 8.02 0.02 1 77 10 10 GLN HA H 4.26 0.02 1 78 10 10 GLN HB2 H 2.07 0.02 1 79 10 10 GLN HB3 H 2.07 0.02 1 80 10 10 GLN HG2 H 2.33 0.02 1 81 10 10 GLN HG3 H 2.33 0.02 1 82 10 10 GLN CA C 56.43 0.3 1 83 10 10 GLN CB C 29.5 0.3 1 84 10 10 GLN CG C 34.13 0.3 1 85 10 10 GLN N N 119.73 0.15 1 86 11 11 ILE H H 8.03 0.02 1 87 11 11 ILE HA H 4.01 0.02 1 88 11 11 ILE HB H 1.86 0.02 1 89 11 11 ILE HD1 H 0.82 0.02 1 90 11 11 ILE CA C 62.31 0.3 1 91 11 11 ILE CB C 38.69 0.3 1 92 11 11 ILE CG1 C 27.91 0.3 1 93 11 11 ILE CG2 C 17.54 0.3 1 94 11 11 ILE CD1 C 13.14 0.3 1 95 11 11 ILE N N 121.23 0.15 1 96 12 12 ASP H H 8.32 0.02 1 97 12 12 ASP HA H 4.58 0.02 1 98 12 12 ASP HB2 H 2.66 0.02 1 99 12 12 ASP HB3 H 2.66 0.02 1 100 12 12 ASP CA C 54.96 0.3 1 101 12 12 ASP CB C 41.1 0.3 1 102 12 12 ASP N N 122.87 0.15 1 103 13 13 SER H H 8.14 0.02 1 104 13 13 SER HA H 4.28 0.02 1 105 13 13 SER HB2 H 3.8 0.02 1 106 13 13 SER HB3 H 3.8 0.02 1 107 13 13 SER CA C 59.64 0.3 1 108 13 13 SER CB C 63.44 0.3 1 109 13 13 SER N N 116.45 0.15 1 110 14 14 PHE H H 8.18 0.02 1 111 14 14 PHE HA H 4.47 0.02 1 112 14 14 PHE HB2 H 3.16 0.02 1 113 14 14 PHE HB3 H 3.16 0.02 1 114 14 14 PHE CA C 58.99 0.3 1 115 14 14 PHE CB C 38.97 0.3 1 116 14 14 PHE N N 121.67 0.15 1 117 15 15 ALA H H 8.03 0.02 1 118 15 15 ALA HA H 4.18 0.02 1 119 15 15 ALA HB H 1.39 0.02 1 120 15 15 ALA CA C 53.3 0.3 1 121 15 15 ALA CB C 18.87 0.3 1 122 15 15 ALA N N 123.64 0.15 1 123 16 16 ALA H H 7.98 0.02 1 124 16 16 ALA HA H 4.19 0.02 1 125 16 16 ALA HB H 1.4 0.02 1 126 16 16 ALA CA C 53.17 0.3 1 127 16 16 ALA CB C 18.9 0.3 1 128 16 16 ALA N N 121.64 0.15 1 129 17 17 LYS H H 7.96 0.02 1 130 17 17 LYS HA H 4.22 0.02 1 131 17 17 LYS HB2 H 1.8 0.02 1 132 17 17 LYS HB3 H 1.8 0.02 1 133 17 17 LYS HG2 H 1.45 0.02 1 134 17 17 LYS HG3 H 1.45 0.02 1 135 17 17 LYS HD2 H 1.67 0.02 1 136 17 17 LYS HD3 H 1.67 0.02 1 137 17 17 LYS HE2 H 2.96 0.02 1 138 17 17 LYS HE3 H 2.96 0.02 1 139 17 17 LYS CA C 56.62 0.3 1 140 17 17 LYS CB C 32.91 0.3 1 141 17 17 LYS CG C 24.87 0.3 1 142 17 17 LYS CD C 29.18 0.3 1 143 17 17 LYS CE C 42.22 0.3 1 144 17 17 LYS N N 119.4 0.15 1 145 18 18 ALA H H 8.09 0.02 1 146 18 18 ALA HA H 4.23 0.02 1 147 18 18 ALA HB H 1.36 0.02 1 148 18 18 ALA CA C 52.77 0.3 1 149 18 18 ALA CB C 19.07 0.3 1 150 18 18 ALA N N 124.19 0.15 1 151 19 19 LYS H H 8.2 0.02 1 152 19 19 LYS HA H 4.27 0.02 1 153 19 19 LYS HB2 H 1.82 0.02 1 154 19 19 LYS HB3 H 1.82 0.02 1 155 19 19 LYS HG2 H 1.46 0.02 1 156 19 19 LYS HG3 H 1.46 0.02 1 157 19 19 LYS HD2 H 1.66 0.02 1 158 19 19 LYS HD3 H 1.66 0.02 1 159 19 19 LYS HE2 H 2.98 0.02 1 160 19 19 LYS HE3 H 2.98 0.02 1 161 19 19 LYS CA C 56.29 0.3 1 162 19 19 LYS CB C 32.91 0.3 1 163 19 19 LYS CG C 24.77 0.3 1 164 19 19 LYS CD C 29.15 0.3 1 165 19 19 LYS CE C 42.1 0.3 1 166 19 19 LYS N N 120.39 0.15 1 167 20 20 GLY H H 8.4 0.02 1 168 20 20 GLY HA2 H 4 0.02 1 169 20 20 GLY HA3 H 4 0.02 1 170 20 20 GLY CA C 45.48 0.3 1 171 20 20 GLY N N 109.93 0.15 1 172 21 21 SER H H 8.18 0.02 1 173 21 21 SER HA H 4.44 0.02 1 174 21 21 SER HB2 H 3.87 0.02 1 175 21 21 SER HB3 H 3.87 0.02 1 176 21 21 SER CA C 58.61 0.3 1 177 21 21 SER CB C 63.87 0.3 1 178 21 21 SER N N 115.51 0.15 1 179 22 22 GLU H H 8.54 0.02 1 180 22 22 GLU HA H 4.31 0.02 1 181 22 22 GLU HB2 H 2.04 0.02 2 182 22 22 GLU HB3 H 1.97 0.02 2 183 22 22 GLU HG2 H 2.25 0.02 1 184 22 22 GLU HG3 H 2.25 0.02 1 185 22 22 GLU CA C 56.81 0.3 1 186 22 22 GLU CB C 30.16 0.3 1 187 22 22 GLU CG C 36.34 0.3 1 188 22 22 GLU N N 122.84 0.15 1 189 23 23 VAL H H 8.13 0.02 1 190 23 23 VAL HA H 4.08 0.02 1 191 23 23 VAL HB H 2.06 0.02 1 192 23 23 VAL HG1 H 0.92 0.02 1 193 23 23 VAL HG2 H 0.92 0.02 1 194 23 23 VAL CA C 62.49 0.3 1 195 23 23 VAL CB C 32.55 0.3 1 196 23 23 VAL CG1 C 20.9 0.3 1 197 23 23 VAL CG2 C 20.9 0.3 1 198 23 23 VAL N N 121.48 0.15 1 199 24 24 ARG H H 8.41 0.02 1 200 24 24 ARG HA H 4.38 0.02 1 201 24 24 ARG HB2 H 1.82 0.02 1 202 24 24 ARG HB3 H 1.82 0.02 1 203 24 24 ARG HG2 H 1.46 0.02 1 204 24 24 ARG HG3 H 1.46 0.02 1 205 24 24 ARG HD2 H 3.19 0.02 1 206 24 24 ARG HD3 H 3.19 0.02 1 207 24 24 ARG CA C 55.83 0.3 1 208 24 24 ARG CB C 31.1 0.3 1 209 24 24 ARG CG C 27.21 0.3 1 210 24 24 ARG CD C 43.37 0.3 1 211 24 24 ARG N N 124.97 0.15 1 212 25 25 GLY H H 8.4 0.02 1 213 25 25 GLY HA2 H 3.96 0.02 1 214 25 25 GLY HA3 H 3.96 0.02 1 215 25 25 GLY CA C 45.42 0.3 1 216 25 25 GLY N N 109.97 0.15 1 217 26 26 ASP H H 8.25 0.02 1 218 26 26 ASP HA H 4.64 0.02 1 219 26 26 ASP HB2 H 2.68 0.02 1 220 26 26 ASP HB3 H 2.68 0.02 1 221 26 26 ASP CA C 54.05 0.3 1 222 26 26 ASP CB C 41.4 0.3 1 223 26 26 ASP N N 120.25 0.15 1 224 27 27 SER H H 8.3 0.02 1 225 27 27 SER HA H 4.37 0.02 1 226 27 27 SER HB2 H 3.9 0.02 1 227 27 27 SER HB3 H 3.9 0.02 1 228 27 27 SER CA C 59.11 0.3 1 229 27 27 SER CB C 63.66 0.3 1 230 27 27 SER N N 116.67 0.15 1 231 28 28 LYS H H 8.33 0.02 1 232 28 28 LYS HA H 4.25 0.02 1 233 28 28 LYS HB2 H 1.82 0.02 1 234 28 28 LYS HB3 H 1.82 0.02 1 235 28 28 LYS HG2 H 1.44 0.02 1 236 28 28 LYS HG3 H 1.44 0.02 1 237 28 28 LYS HD2 H 1.68 0.02 1 238 28 28 LYS HD3 H 1.68 0.02 1 239 28 28 LYS HE2 H 2.99 0.02 1 240 28 28 LYS HE3 H 2.99 0.02 1 241 28 28 LYS CA C 56.96 0.3 1 242 28 28 LYS CB C 32.61 0.3 1 243 28 28 LYS CG C 24.92 0.3 1 244 28 28 LYS CD C 29.07 0.3 1 245 28 28 LYS CE C 42.15 0.3 1 246 28 28 LYS N N 122.41 0.15 1 247 29 29 GLN H H 8.23 0.02 1 248 29 29 GLN HA H 4.26 0.02 1 249 29 29 GLN HB2 H 2.03 0.02 1 250 29 29 GLN HB3 H 2.03 0.02 1 251 29 29 GLN HG2 H 2.34 0.02 1 252 29 29 GLN HG3 H 2.34 0.02 1 253 29 29 GLN CA C 56.37 0.3 1 254 29 29 GLN CB C 29.16 0.3 1 255 29 29 GLN CG C 33.78 0.3 1 256 29 29 GLN N N 120.82 0.15 1 257 30 30 ILE H H 8.1 0.02 1 258 30 30 ILE HA H 4.08 0.02 1 259 30 30 ILE HB H 1.86 0.02 1 260 30 30 ILE HG12 H 1.2 0.02 1 261 30 30 ILE HG13 H 1.2 0.02 1 262 30 30 ILE CA C 61.84 0.3 1 263 30 30 ILE CB C 38.5 0.3 1 264 30 30 ILE CG1 C 27.86 0.3 1 265 30 30 ILE CG2 C 17.73 0.3 1 266 30 30 ILE CD1 C 13 0.3 1 267 30 30 ILE N N 121.92 0.15 1 268 31 31 VAL H H 8.06 0.02 1 269 31 31 VAL HA H 4.01 0.02 1 270 31 31 VAL HB H 2.06 0.02 1 271 31 31 VAL HG1 H 0.93 0.02 1 272 31 31 VAL HG2 H 0.93 0.02 1 273 31 31 VAL CA C 63.31 0.3 1 274 31 31 VAL CB C 32.5 0.3 1 275 31 31 VAL CG1 C 21.34 0.3 1 276 31 31 VAL CG2 C 21.34 0.3 1 277 31 31 VAL N N 123.46 0.15 1 278 32 32 LYS H H 8.22 0.02 1 279 32 32 LYS HA H 4.24 0.02 1 280 32 32 LYS HB2 H 1.82 0.02 1 281 32 32 LYS HB3 H 1.82 0.02 1 282 32 32 LYS HG2 H 1.43 0.02 1 283 32 32 LYS HG3 H 1.43 0.02 1 284 32 32 LYS HD2 H 1.68 0.02 1 285 32 32 LYS HD3 H 1.68 0.02 1 286 32 32 LYS HE2 H 2.98 0.02 1 287 32 32 LYS HE3 H 2.98 0.02 1 288 32 32 LYS CA C 57.32 0.3 1 289 32 32 LYS CB C 32.85 0.3 1 290 32 32 LYS CG C 24.71 0.3 1 291 32 32 LYS CD C 29.17 0.3 1 292 32 32 LYS CE C 42.21 0.3 1 293 32 32 LYS N N 124.46 0.15 1 294 33 33 GLU H H 8.46 0.02 1 295 33 33 GLU HA H 4.19 0.02 1 296 33 33 GLU HB2 H 2.05 0.02 1 297 33 33 GLU HB3 H 2.05 0.02 1 298 33 33 GLU HG2 H 2.3 0.02 1 299 33 33 GLU HG3 H 2.3 0.02 1 300 33 33 GLU CA C 57.85 0.3 1 301 33 33 GLU CB C 29.91 0.3 1 302 33 33 GLU CG C 36.51 0.3 1 303 33 33 GLU N N 120.82 0.15 1 304 34 34 MET H H 8.28 0.02 1 305 34 34 MET HA H 4.34 0.02 1 306 34 34 MET HB2 H 2.53 0.02 1 307 34 34 MET HB3 H 2.53 0.02 1 308 34 34 MET HG2 H 2.61 0.02 1 309 34 34 MET HG3 H 2.61 0.02 1 310 34 34 MET CA C 56.81 0.3 1 311 34 34 MET CB C 32.72 0.3 1 312 34 34 MET CG C 32.15 0.3 1 313 34 34 MET CE C 17.58 0.3 1 314 34 34 MET N N 119.69 0.15 1 315 35 35 GLU H H 8.29 0.02 1 316 35 35 GLU HA H 4.16 0.02 1 317 35 35 GLU HB2 H 2.07 0.02 1 318 35 35 GLU HB3 H 2.07 0.02 1 319 35 35 GLU HG2 H 2.29 0.02 1 320 35 35 GLU HG3 H 2.29 0.02 1 321 35 35 GLU CA C 57.9 0.3 1 322 35 35 GLU CB C 30.05 0.3 1 323 35 35 GLU CG C 36.57 0.3 1 324 35 35 GLU N N 120.99 0.15 1 325 36 36 GLU H H 8.25 0.02 1 326 36 36 GLU HA H 4.18 0.02 1 327 36 36 GLU HB2 H 2.04 0.02 1 328 36 36 GLU HB3 H 2.04 0.02 1 329 36 36 GLU HG2 H 2.23 0.02 1 330 36 36 GLU HG3 H 2.23 0.02 1 331 36 36 GLU CA C 57.56 0.3 1 332 36 36 GLU CB C 30.14 0.3 1 333 36 36 GLU CG C 36.5 0.3 1 334 36 36 GLU N N 120.27 0.15 1 335 37 37 LEU H H 8.04 0.02 1 336 37 37 LEU HA H 4.35 0.02 1 337 37 37 LEU HB2 H 1.76 0.02 1 338 37 37 LEU HB3 H 1.76 0.02 1 339 37 37 LEU HG H 1.63 0.02 1 340 37 37 LEU HD1 H 0.88 0.02 1 341 37 37 LEU HD2 H 0.88 0.02 1 342 37 37 LEU CA C 56.06 0.3 1 343 37 37 LEU CB C 42.46 0.3 1 344 37 37 LEU CG C 27.04 0.3 1 345 37 37 LEU CD1 C 25.06 0.3 2 346 37 37 LEU CD2 C 23.77 0.3 2 347 37 37 LEU N N 121.73 0.15 1 348 38 38 SER H H 8.42 0.02 1 349 38 38 SER HA H 4.37 0.02 1 350 38 38 SER HB2 H 3.88 0.02 1 351 38 38 SER HB3 H 3.88 0.02 1 352 38 38 SER CA C 59.21 0.3 1 353 38 38 SER CB C 63.87 0.3 1 354 38 38 SER N N 116.8 0.15 1 355 39 39 LEU H H 8.3 0.02 1 356 39 39 LEU HA H 4.14 0.02 1 357 39 39 LEU HB2 H 1.66 0.02 1 358 39 39 LEU HB3 H 1.66 0.02 1 359 39 39 LEU HD1 H 0.9 0.02 1 360 39 39 LEU HD2 H 0.9 0.02 1 361 39 39 LEU CA C 57.81 0.3 1 362 39 39 LEU CB C 41.58 0.3 1 363 39 39 LEU CG C 27.19 0.3 1 364 39 39 LEU CD1 C 24.38 0.3 1 365 39 39 LEU CD2 C 24.38 0.3 1 366 39 39 LEU N N 123 0.15 1 367 40 40 LYS H H 8.11 0.02 1 368 40 40 LYS HA H 4.12 0.02 1 369 40 40 LYS HB2 H 1.86 0.02 1 370 40 40 LYS HB3 H 1.86 0.02 1 371 40 40 LYS HG2 H 1.42 0.02 1 372 40 40 LYS HG3 H 1.42 0.02 1 373 40 40 LYS HD2 H 1.68 0.02 1 374 40 40 LYS HD3 H 1.68 0.02 1 375 40 40 LYS HE2 H 2.98 0.02 1 376 40 40 LYS HE3 H 2.98 0.02 1 377 40 40 LYS CA C 58.94 0.3 1 378 40 40 LYS CB C 32.54 0.3 1 379 40 40 LYS CG C 24.94 0.3 1 380 40 40 LYS CD C 29.32 0.3 1 381 40 40 LYS CE C 42.38 0.3 1 382 40 40 LYS N N 119.48 0.15 1 383 41 41 GLN H H 8.02 0.02 1 384 41 41 GLN HA H 4.16 0.02 1 385 41 41 GLN HB2 H 2.09 0.02 1 386 41 41 GLN HB3 H 2.09 0.02 1 387 41 41 GLN HG2 H 2.44 0.02 1 388 41 41 GLN HG3 H 2.44 0.02 1 389 41 41 GLN CA C 58.39 0.3 1 390 41 41 GLN CB C 29.05 0.3 1 391 41 41 GLN CG C 34.6 0.3 1 392 41 41 GLN N N 118.79 0.15 1 393 42 42 GLN H H 8.38 0.02 1 394 42 42 GLN HA H 4.01 0.02 1 395 42 42 GLN HB2 H 2.17 0.02 1 396 42 42 GLN HB3 H 2.17 0.02 1 397 42 42 GLN HG2 H 2.46 0.02 2 398 42 42 GLN HG3 H 2.29 0.02 2 399 42 42 GLN CA C 58.94 0.3 1 400 42 42 GLN CB C 28.82 0.3 1 401 42 42 GLN CG C 34.37 0.3 1 402 42 42 GLN N N 120.09 0.15 1 403 43 43 GLN H H 8.27 0.02 1 404 43 43 GLN HA H 3.98 0.02 1 405 43 43 GLN HB2 H 2.1 0.02 1 406 43 43 GLN HB3 H 2.1 0.02 1 407 43 43 GLN HG2 H 2.52 0.02 2 408 43 43 GLN HG3 H 2.4 0.02 2 409 43 43 GLN CA C 58.57 0.3 1 410 43 43 GLN CB C 28.38 0.3 1 411 43 43 GLN CG C 34.17 0.3 1 412 43 43 GLN N N 118.3 0.15 1 413 44 44 GLU H H 8.14 0.02 1 414 44 44 GLU CA C 58.79 0.3 1 415 44 44 GLU CB C 29.71 0.3 1 416 44 44 GLU N N 120.34 0.15 1 417 45 45 MET HA H 4.08 0.02 1 418 45 45 MET HB2 H 2.02 0.02 1 419 45 45 MET HB3 H 2.02 0.02 1 420 45 45 MET HG2 H 2.42 0.02 2 421 45 45 MET HG3 H 2.33 0.02 2 422 45 45 MET CA C 58.23 0.3 1 423 45 45 MET CB C 32.48 0.3 1 424 45 45 MET CG C 31.73 0.3 1 425 46 46 ILE H H 7.99 0.02 1 426 46 46 ILE HA H 3.65 0.02 1 427 46 46 ILE HB H 1.87 0.02 1 428 46 46 ILE HG12 H 1.26 0.02 1 429 46 46 ILE HG13 H 1.26 0.02 1 430 46 46 ILE HG2 H 0.87 0.02 1 431 46 46 ILE HD1 H 0.8 0.02 1 432 46 46 ILE CA C 64.49 0.3 1 433 46 46 ILE CB C 38.01 0.3 1 434 46 46 ILE CG1 C 29.06 0.3 1 435 46 46 ILE CG2 C 17.5 0.3 1 436 46 46 ILE CD1 C 13.35 0.3 1 437 46 46 ILE N N 119.53 0.15 1 438 47 47 ALA H H 7.8 0.02 1 439 47 47 ALA HA H 4.13 0.02 1 440 47 47 ALA HB H 1.49 0.02 1 441 47 47 ALA CA C 54.89 0.3 1 442 47 47 ALA CB C 18.35 0.3 1 443 47 47 ALA N N 122.76 0.15 1 444 48 48 VAL H H 8.15 0.02 1 445 48 48 VAL CA C 65.48 0.3 1 446 48 48 VAL CB C 32.14 0.3 1 447 48 48 VAL N N 118.6 0.15 1 448 49 49 CYS HA H 4.36 0.02 1 449 49 49 CYS HB2 H 3.24 0.02 1 450 49 49 CYS HB3 H 3.24 0.02 1 451 49 49 CYS CA C 58.72 0.3 1 452 49 49 CYS CB C 42.9 0.3 1 453 50 50 ALA H H 7.93 0.02 1 454 50 50 ALA HB H 1.45 0.02 1 455 50 50 ALA CA C 54.4 0.3 1 456 50 50 ALA CB C 18.71 0.3 1 457 50 50 ALA N N 118.92 0.15 1 458 51 51 THR H H 7.5 0.02 1 459 51 51 THR CA C 63.37 0.3 1 460 51 51 THR CB C 70.04 0.3 1 461 51 51 THR N N 107.86 0.15 1 462 53 53 PRO HA H 4.43 0.02 1 463 53 53 PRO HB2 H 2.04 0.02 1 464 53 53 PRO HB3 H 2.04 0.02 1 465 53 53 PRO HG2 H 1.5 0.02 1 466 53 53 PRO HG3 H 1.5 0.02 1 467 53 53 PRO HD2 H 3.89 0.02 1 468 53 53 PRO HD3 H 3.89 0.02 1 469 53 53 PRO CA C 65.35 0.3 1 470 53 53 PRO CB C 32.22 0.3 1 471 53 53 PRO CG C 27.56 0.3 1 472 53 53 PRO CD C 50.33 0.3 1 473 54 54 ALA H H 8.13 0.02 1 474 54 54 ALA HA H 4.12 0.02 1 475 54 54 ALA HB H 1.46 0.02 1 476 54 54 ALA CA C 55.12 0.3 1 477 54 54 ALA CB C 18.19 0.3 1 478 54 54 ALA N N 119.94 0.15 1 479 55 55 ALA H H 7.59 0.02 1 480 55 55 ALA HB H 1.39 0.02 1 481 55 55 ALA CA C 53.66 0.3 1 482 55 55 ALA CB C 18.55 0.3 1 483 55 55 ALA N N 120.49 0.15 1 484 56 56 CYS H H 7.89 0.02 1 485 56 56 CYS HA H 4.41 0.02 1 486 56 56 CYS HB2 H 3.51 0.02 1 487 56 56 CYS HB3 H 3.51 0.02 1 488 56 56 CYS CA C 58.04 0.3 1 489 56 56 CYS CB C 42.85 0.3 1 490 56 56 CYS N N 117.35 0.15 1 491 57 57 LYS H H 8.07 0.02 1 492 57 57 LYS HA H 4.06 0.02 1 493 57 57 LYS HB2 H 1.89 0.02 1 494 57 57 LYS HB3 H 1.89 0.02 1 495 57 57 LYS HG2 H 1.47 0.02 1 496 57 57 LYS HG3 H 1.47 0.02 1 497 57 57 LYS HD2 H 1.69 0.02 1 498 57 57 LYS HD3 H 1.69 0.02 1 499 57 57 LYS HE2 H 2.92 0.02 1 500 57 57 LYS HE3 H 2.92 0.02 1 501 57 57 LYS CA C 58.5 0.3 1 502 57 57 LYS CB C 32.54 0.3 1 503 57 57 LYS CG C 25.36 0.3 1 504 57 57 LYS CD C 32.16 0.3 1 505 57 57 LYS CE C 41.9 0.3 1 506 57 57 LYS N N 119.95 0.15 1 507 58 58 GLU H H 7.89 0.02 1 508 58 58 GLU HA H 4.03 0.02 1 509 58 58 GLU HB2 H 2 0.02 1 510 58 58 GLU HB3 H 2 0.02 1 511 58 58 GLU HG2 H 2.29 0.02 1 512 58 58 GLU HG3 H 2.19 0.02 1 513 58 58 GLU CA C 58.43 0.3 1 514 58 58 GLU CB C 29.92 0.3 1 515 58 58 GLU CG C 36.25 0.3 1 516 58 58 GLU N N 119.4 0.15 1 517 59 59 LYS H H 7.86 0.02 1 518 59 59 LYS HA H 4.04 0.02 1 519 59 59 LYS HB2 H 1.46 0.02 1 520 59 59 LYS HB3 H 1.46 0.02 1 521 59 59 LYS HG2 H 1.11 0.02 1 522 59 59 LYS HG3 H 1.11 0.02 1 523 59 59 LYS HD2 H 1.3 0.02 1 524 59 59 LYS HD3 H 1.3 0.02 1 525 59 59 LYS HE2 H 2.81 0.02 1 526 59 59 LYS HE3 H 2.81 0.02 1 527 59 59 LYS CA C 57.76 0.3 1 528 59 59 LYS CB C 33.21 0.3 1 529 59 59 LYS CG C 24.61 0.3 1 530 59 59 LYS CD C 28.95 0.3 1 531 59 59 LYS CE C 42.12 0.3 1 532 59 59 LYS N N 118.03 0.15 1 533 60 60 PHE H H 8.18 0.02 1 534 60 60 PHE HA H 4.72 0.02 1 535 60 60 PHE HB2 H 3.27 0.02 1 536 60 60 PHE HB3 H 2.9 0.02 1 537 60 60 PHE CA C 58.02 0.3 1 538 60 60 PHE CB C 40.15 0.3 1 539 60 60 PHE N N 115.85 0.15 1 540 61 61 GLY H H 7.9 0.02 1 541 61 61 GLY HA2 H 4.19 0.02 1 542 61 61 GLY HA3 H 4.19 0.02 1 543 61 61 GLY CA C 45.08 0.3 1 544 61 61 GLY N N 109.06 0.15 1 545 62 62 ASP H H 8.29 0.02 1 546 62 62 ASP CA C 56.43 0.3 1 547 62 62 ASP CB C 42.52 0.3 1 548 62 62 ASP N N 120.3 0.15 1 549 65 65 ALA HA H 4.4 0.02 1 550 65 65 ALA HB H 1.44 0.02 1 551 65 65 ALA CA C 54.44 0.3 1 552 65 65 ALA CB C 19.39 0.3 1 553 66 66 LYS H H 8.39 0.02 1 554 66 66 LYS HD2 H 1.65 0.02 1 555 66 66 LYS HD3 H 1.65 0.02 1 556 66 66 LYS CA C 59.59 0.3 1 557 66 66 LYS CB C 32.58 0.3 1 558 66 66 LYS CD C 29.51 0.3 1 559 66 66 LYS CE C 41.88 0.3 1 560 66 66 LYS N N 118.27 0.15 1 561 67 67 GLY H H 8.3 0.02 1 562 67 67 GLY HA2 H 3.83 0.02 1 563 67 67 GLY HA3 H 3.83 0.02 1 564 67 67 GLY CA C 46.99 0.3 1 565 67 67 GLY N N 105.99 0.15 1 566 68 68 MET H H 7.83 0.02 1 567 68 68 MET HA H 4.35 0.02 1 568 68 68 MET HB2 H 2.08 0.02 1 569 68 68 MET HB3 H 2.08 0.02 1 570 68 68 MET HG2 H 2.25 0.02 1 571 68 68 MET HG3 H 2.25 0.02 1 572 68 68 MET CA C 56.35 0.3 1 573 68 68 MET CB C 30.41 0.3 1 574 68 68 MET N N 120.82 0.15 1 575 69 69 LEU H H 8.55 0.02 1 576 69 69 LEU CA C 53.27 0.3 1 577 69 69 LEU CB C 39.02 0.3 1 578 69 69 LEU N N 120.22 0.15 1 579 70 70 VAL HA H 4.14 0.02 1 580 70 70 VAL HB H 2.05 0.02 1 581 70 70 VAL HG1 H 0.93 0.02 1 582 70 70 VAL HG2 H 0.93 0.02 1 583 70 70 VAL CA C 62.46 0.3 1 584 70 70 VAL CB C 32.78 0.3 1 585 70 70 VAL CG1 C 20.96 0.3 1 586 70 70 VAL CG2 C 20.96 0.3 1 587 71 71 ARG H H 8.59 0.02 1 588 71 71 ARG CA C 56.53 0.3 1 589 71 71 ARG CB C 30.51 0.3 1 590 71 71 ARG N N 125.02 0.15 1 591 72 72 GLU CA C 59.56 0.3 1 592 72 72 GLU CB C 29.13 0.3 1 593 72 72 GLU CG C 36.33 0.3 1 594 73 73 ALA H H 7.57 0.02 1 595 73 73 ALA HA H 4.21 0.02 1 596 73 73 ALA HB H 1.41 0.02 1 597 73 73 ALA CA C 54.86 0.3 1 598 73 73 ALA CB C 18.26 0.3 1 599 73 73 ALA N N 121.27 0.15 1 600 74 74 ILE H H 8.25 0.02 1 601 74 74 ILE HA H 4.35 0.02 1 602 74 74 ILE HD1 H 0.76 0.02 1 603 74 74 ILE CA C 64.69 0.3 1 604 74 74 ILE CB C 37.43 0.3 1 605 74 74 ILE CG1 C 28.87 0.3 1 606 74 74 ILE CG2 C 17.88 0.3 1 607 74 74 ILE CD1 C 13.82 0.3 1 608 74 74 ILE N N 116.91 0.15 1 609 75 75 ASP H H 8.29 0.02 1 610 75 75 ASP HA H 4.22 0.02 1 611 75 75 ASP HB2 H 2.82 0.02 2 612 75 75 ASP HB3 H 2.62 0.02 2 613 75 75 ASP CA C 57.61 0.3 1 614 75 75 ASP CB C 40.87 0.3 1 615 75 75 ASP N N 121 0.15 1 616 76 76 ARG H H 7.74 0.02 1 617 76 76 ARG HB2 H 1.93 0.02 1 618 76 76 ARG HB3 H 1.93 0.02 1 619 76 76 ARG HG2 H 1.39 0.02 1 620 76 76 ARG HG3 H 1.39 0.02 1 621 76 76 ARG HD2 H 3.22 0.02 1 622 76 76 ARG HD3 H 3.22 0.02 1 623 76 76 ARG CA C 58.6 0.3 1 624 76 76 ARG CB C 30.61 0.3 1 625 76 76 ARG CG C 27.73 0.3 1 626 76 76 ARG CD C 43.51 0.3 1 627 76 76 ARG N N 117.49 0.15 1 628 77 77 VAL H H 7.71 0.02 1 629 77 77 VAL HA H 3.99 0.02 1 630 77 77 VAL HB H 2.02 0.02 1 631 77 77 VAL HG1 H 0.93 0.02 1 632 77 77 VAL HG2 H 0.93 0.02 1 633 77 77 VAL CA C 64.24 0.3 1 634 77 77 VAL CB C 32.87 0.3 1 635 77 77 VAL CG1 C 21.7 0.3 1 636 77 77 VAL CG2 C 21.7 0.3 1 637 77 77 VAL N N 115.79 0.15 1 638 78 78 LEU H H 8.25 0.02 1 639 78 78 LEU HA H 4.38 0.02 1 640 78 78 LEU HB2 H 1.75 0.02 1 641 78 78 LEU HB3 H 1.75 0.02 1 642 78 78 LEU HG H 1.41 0.02 1 643 78 78 LEU HD1 H 0.81 0.02 1 644 78 78 LEU HD2 H 0.81 0.02 1 645 78 78 LEU CA C 55.29 0.3 1 646 78 78 LEU CB C 42.59 0.3 1 647 78 78 LEU CG C 26.49 0.3 1 648 78 78 LEU CD1 C 22.85 0.3 1 649 78 78 LEU CD2 C 22.85 0.3 1 650 78 78 LEU N N 118.46 0.15 1 651 79 79 GLY H H 7.93 0.02 1 652 79 79 GLY HA2 H 4.05 0.02 1 653 79 79 GLY HA3 H 4.05 0.02 1 654 79 79 GLY CA C 45.7 0.3 1 655 79 79 GLY N N 107.04 0.15 1 656 80 80 THR H H 8.31 0.02 1 657 80 80 THR HA H 4.43 0.02 1 658 80 80 THR HB H 4.3 0.02 1 659 80 80 THR HG2 H 1.2 0.02 1 660 80 80 THR CA C 62.31 0.3 1 661 80 80 THR CB C 68.96 0.3 1 662 80 80 THR CG2 C 21.69 0.3 1 663 80 80 THR N N 111.68 0.15 1 664 81 81 ASP H H 8.53 0.02 1 665 81 81 ASP HA H 4.54 0.02 1 666 81 81 ASP HB2 H 2.72 0.02 1 667 81 81 ASP HB3 H 2.72 0.02 1 668 81 81 ASP CA C 55.28 0.3 1 669 81 81 ASP CB C 40.64 0.3 1 670 81 81 ASP N N 120.71 0.15 1 671 82 82 VAL H H 7.01 0.02 1 672 82 82 VAL CA C 59.22 0.3 1 673 82 82 VAL CB C 33.35 0.3 1 674 82 82 VAL N N 118.22 0.15 1 675 84 84 SER HB2 H 3.92 0.02 1 676 84 84 SER HB3 H 3.92 0.02 1 677 84 84 SER CB C 62.63 0.3 1 678 85 85 ALA H H 8.9 0.02 1 679 85 85 ALA HB H 1.44 0.02 1 680 85 85 ALA CA C 55.35 0.3 1 681 85 85 ALA CB C 18.35 0.3 1 682 85 85 ALA N N 121.92 0.15 1 683 86 86 MET H H 7.01 0.02 1 684 86 86 MET HA H 4.16 0.02 1 685 86 86 MET HB2 H 2.09 0.02 1 686 86 86 MET HB3 H 2.09 0.02 1 687 86 86 MET HG2 H 2.34 0.02 1 688 86 86 MET HG3 H 2.34 0.02 1 689 86 86 MET HE H 1.42 0.02 1 690 86 86 MET CA C 58.34 0.3 1 691 86 86 MET CB C 33.02 0.3 1 692 86 86 MET CG C 32.17 0.3 1 693 86 86 MET CE C 18.78 0.3 1 694 86 86 MET N N 116.85 0.15 1 695 87 87 LYS H H 7.74 0.02 1 696 87 87 LYS CA C 60.51 0.3 1 697 87 87 LYS CB C 32.04 0.3 1 698 87 87 LYS CG C 26.63 0.3 1 699 87 87 LYS CD C 30.13 0.3 1 700 87 87 LYS CE C 42.05 0.3 1 701 87 87 LYS N N 118.94 0.15 1 702 88 88 ASN H H 8.55 0.02 1 703 88 88 ASN HA H 4.4 0.02 1 704 88 88 ASN HB2 H 2.86 0.02 1 705 88 88 ASN HB3 H 2.86 0.02 1 706 88 88 ASN CA C 55.93 0.3 1 707 88 88 ASN CB C 37.83 0.3 1 708 88 88 ASN N N 118.84 0.15 1 709 89 89 ASP H H 7.87 0.02 1 710 89 89 ASP HB2 H 2.88 0.02 1 711 89 89 ASP HB3 H 2.88 0.02 1 712 89 89 ASP CA C 57.83 0.3 1 713 89 89 ASP CB C 42.1 0.3 1 714 89 89 ASP N N 122.4 0.15 1 715 90 90 MET H H 8.55 0.02 1 716 90 90 MET HA H 4.1 0.02 1 717 90 90 MET HB2 H 2.11 0.02 1 718 90 90 MET HB3 H 2.11 0.02 1 719 90 90 MET HG2 H 2.39 0.02 1 720 90 90 MET HG3 H 2.39 0.02 1 721 90 90 MET CA C 59.5 0.3 1 722 90 90 MET CB C 33.76 0.3 1 723 90 90 MET CG C 32.19 0.3 1 724 90 90 MET CE C 19.59 0.3 1 725 90 90 MET N N 118.46 0.15 1 726 91 91 SER H H 8.1 0.02 1 727 91 91 SER HA H 4.04 0.02 1 728 91 91 SER CA C 62.66 0.3 1 729 91 91 SER CB C 62.73 0.3 1 730 91 91 SER N N 114.27 0.15 1 731 92 92 SER H H 7.85 0.02 1 732 92 92 SER HA H 4.2 0.02 1 733 92 92 SER HB2 H 3.99 0.02 1 734 92 92 SER HB3 H 3.99 0.02 1 735 92 92 SER CA C 61.42 0.3 1 736 92 92 SER CB C 62.83 0.3 1 737 92 92 SER N N 117.5 0.15 1 738 93 93 LEU H H 8.04 0.02 1 739 93 93 LEU HA H 4.16 0.02 1 740 93 93 LEU HB2 H 1.84 0.02 1 741 93 93 LEU HB3 H 1.84 0.02 1 742 93 93 LEU HG H 1.69 0.02 1 743 93 93 LEU HD1 H 0.93 0.02 1 744 93 93 LEU HD2 H 0.93 0.02 1 745 93 93 LEU CA C 58.2 0.3 1 746 93 93 LEU CB C 42.24 0.3 1 747 93 93 LEU CG C 27.41 0.3 1 748 93 93 LEU CD1 C 25.32 0.3 1 749 93 93 LEU CD2 C 25.32 0.3 1 750 93 93 LEU N N 123.14 0.15 1 751 94 94 LEU H H 8.2 0.02 1 752 94 94 LEU HA H 4.15 0.02 1 753 94 94 LEU HB2 H 1.67 0.02 1 754 94 94 LEU HB3 H 1.67 0.02 1 755 94 94 LEU HG H 1.54 0.02 1 756 94 94 LEU HD1 H 0.52 0.02 1 757 94 94 LEU HD2 H 0.52 0.02 1 758 94 94 LEU CA C 57.81 0.3 1 759 94 94 LEU CB C 41.5 0.3 1 760 94 94 LEU CG C 27.34 0.3 1 761 94 94 LEU CD1 C 24.36 0.3 1 762 94 94 LEU CD2 C 24.36 0.3 1 763 94 94 LEU N N 118.29 0.15 1 764 95 95 ALA H H 8.22 0.02 1 765 95 95 ALA HA H 3.88 0.02 1 766 95 95 ALA HB H 1.46 0.02 1 767 95 95 ALA CA C 55.5 0.3 1 768 95 95 ALA CB C 18.19 0.3 1 769 95 95 ALA N N 119.59 0.15 1 770 96 96 GLN H H 7.89 0.02 1 771 96 96 GLN HA H 4.12 0.02 1 772 96 96 GLN HB2 H 2.11 0.02 1 773 96 96 GLN HB3 H 2.11 0.02 1 774 96 96 GLN HG2 H 2.43 0.02 2 775 96 96 GLN HG3 H 2.27 0.02 2 776 96 96 GLN CA C 58.82 0.3 1 777 96 96 GLN CB C 29.64 0.3 1 778 96 96 GLN CG C 36.47 0.3 1 779 96 96 GLN N N 115.35 0.15 1 780 97 97 GLN H H 7.96 0.02 1 781 97 97 GLN HA H 4.16 0.02 1 782 97 97 GLN HB2 H 1.66 0.02 1 783 97 97 GLN HB3 H 1.66 0.02 1 784 97 97 GLN HG2 H 2.37 0.02 2 785 97 97 GLN HG3 H 2.3 0.02 2 786 97 97 GLN CA C 58.12 0.3 1 787 97 97 GLN CB C 29.26 0.3 1 788 97 97 GLN CG C 34.25 0.3 1 789 97 97 GLN N N 119.06 0.15 1 790 98 98 ILE H H 8.11 0.02 1 791 98 98 ILE HA H 3.78 0.02 1 792 98 98 ILE HB H 1.86 0.02 1 793 98 98 ILE HG12 H 1.25 0.02 1 794 98 98 ILE HG13 H 1.25 0.02 1 795 98 98 ILE HG2 H 0.84 0.02 1 796 98 98 ILE HD1 H 0.69 0.02 1 797 98 98 ILE CA C 63.85 0.3 1 798 98 98 ILE CB C 38.09 0.3 1 799 98 98 ILE CG2 C 17.56 0.3 1 800 98 98 ILE CD1 C 13.82 0.3 1 801 98 98 ILE N N 118.91 0.15 1 802 99 99 GLU H H 7.86 0.02 1 803 99 99 GLU HA H 4.13 0.02 1 804 99 99 GLU HB2 H 2.11 0.02 1 805 99 99 GLU HB3 H 2.11 0.02 1 806 99 99 GLU HG2 H 2.29 0.02 1 807 99 99 GLU HG3 H 2.29 0.02 1 808 99 99 GLU CA C 57.86 0.3 1 809 99 99 GLU CB C 29.96 0.3 1 810 99 99 GLU CG C 36.4 0.3 1 811 99 99 GLU N N 120.39 0.15 1 812 100 100 ALA H H 7.8 0.02 1 813 100 100 ALA HA H 4.3 0.02 1 814 100 100 ALA HB H 1.46 0.02 1 815 100 100 ALA CA C 53.44 0.3 1 816 100 100 ALA CB C 19.32 0.3 1 817 100 100 ALA N N 121.1 0.15 1 818 101 101 GLU H H 8.28 0.02 1 819 101 101 GLU HA H 4.3 0.02 1 820 101 101 GLU HB2 H 2 0.02 1 821 101 101 GLU HB3 H 2 0.02 1 822 101 101 GLU HG2 H 2.27 0.02 1 823 101 101 GLU HG3 H 2.27 0.02 1 824 101 101 GLU CA C 56.88 0.3 1 825 101 101 GLU CB C 30.16 0.3 1 826 101 101 GLU CG C 36.33 0.3 1 827 101 101 GLU N N 116.25 0.15 1 828 102 102 GLY H H 8.23 0.02 1 829 102 102 GLY HA2 H 4.07 0.02 1 830 102 102 GLY HA3 H 3.88 0.02 1 831 102 102 GLY CA C 45.65 0.3 1 832 102 102 GLY N N 109.7 0.15 1 833 103 103 VAL H H 7.85 0.02 1 834 103 103 VAL HA H 4.13 0.02 1 835 103 103 VAL HB H 2 0.02 1 836 103 103 VAL HG1 H 0.87 0.02 1 837 103 103 VAL HG2 H 0.87 0.02 1 838 103 103 VAL CA C 62.32 0.3 1 839 103 103 VAL CB C 33.15 0.3 1 840 103 103 VAL CG1 C 21.13 0.3 1 841 103 103 VAL CG2 C 21.13 0.3 1 842 103 103 VAL N N 119.23 0.15 1 843 104 104 VAL H H 7.94 0.02 1 844 104 104 VAL HA H 4.27 0.02 1 845 104 104 VAL HB H 1.95 0.02 1 846 104 104 VAL HG1 H 0.81 0.02 1 847 104 104 VAL HG2 H 0.81 0.02 1 848 104 104 VAL CA C 61.37 0.3 1 849 104 104 VAL CB C 33.4 0.3 1 850 104 104 VAL CG1 C 21.12 0.3 1 851 104 104 VAL CG2 C 21.12 0.3 1 852 104 104 VAL N N 123.21 0.15 1 853 105 105 THR H H 8.08 0.02 1 854 105 105 THR HA H 4.57 0.02 1 855 105 105 THR HG2 H 1.27 0.02 1 856 105 105 THR CA C 61.29 0.3 1 857 105 105 THR CB C 70.06 0.3 1 858 105 105 THR CG2 C 21.97 0.3 1 859 105 105 THR N N 113.62 0.15 1 860 106 106 SER H H 8.96 0.02 1 861 106 106 SER HA H 3.97 0.02 1 862 106 106 SER CA C 61.6 0.3 1 863 106 106 SER CB C 62.46 0.3 1 864 106 106 SER N N 117.56 0.15 1 865 107 107 THR H H 7.95 0.02 1 866 107 107 THR HA H 4.08 0.02 1 867 107 107 THR HG2 H 1.26 0.02 1 868 107 107 THR CA C 65.64 0.3 1 869 107 107 THR CB C 68.65 0.3 1 870 107 107 THR CG2 C 21.99 0.3 1 871 107 107 THR N N 117.07 0.15 1 872 108 108 GLU H H 7.84 0.02 1 873 108 108 GLU HA H 4.18 0.02 1 874 108 108 GLU HB2 H 2.24 0.02 1 875 108 108 GLU HB3 H 2.24 0.02 1 876 108 108 GLU HG2 H 2.31 0.02 1 877 108 108 GLU HG3 H 2.31 0.02 1 878 108 108 GLU CA C 59.04 0.3 1 879 108 108 GLU CB C 29.55 0.3 1 880 108 108 GLU CG C 36.59 0.3 1 881 108 108 GLU N N 122.83 0.15 1 882 109 109 PHE H H 8.39 0.02 1 883 109 109 PHE HA H 3.23 0.02 1 884 109 109 PHE HB2 H 2.94 0.02 1 885 109 109 PHE HB3 H 2.94 0.02 1 886 109 109 PHE CA C 60.1 0.3 1 887 109 109 PHE CB C 39.2 0.3 1 888 109 109 PHE N N 120.77 0.15 1 889 110 110 ALA H H 8.63 0.02 1 890 110 110 ALA HA H 3.79 0.02 1 891 110 110 ALA HB H 1.45 0.02 1 892 110 110 ALA CA C 55.7 0.3 1 893 110 110 ALA CB C 17.81 0.3 1 894 110 110 ALA N N 120.43 0.15 1 895 111 111 SER H H 7.79 0.02 1 896 111 111 SER HA H 4.18 0.02 1 897 111 111 SER HB2 H 4.02 0.02 1 898 111 111 SER HB3 H 4.02 0.02 1 899 111 111 SER CA C 61.72 0.3 1 900 111 111 SER CB C 62.65 0.3 1 901 111 111 SER N N 113.41 0.15 1 902 112 112 GLN H H 7.83 0.02 1 903 112 112 GLN HA H 4.13 0.02 1 904 112 112 GLN HB2 H 2.34 0.02 1 905 112 112 GLN HB3 H 2.34 0.02 1 906 112 112 GLN HG2 H 2.57 0.02 1 907 112 112 GLN HG3 H 2.57 0.02 1 908 112 112 GLN CA C 59.03 0.3 1 909 112 112 GLN CB C 28.22 0.3 1 910 112 112 GLN CG C 33.95 0.3 1 911 112 112 GLN N N 121.34 0.15 1 912 113 113 LEU H H 8.15 0.02 1 913 113 113 LEU HA H 3.98 0.02 1 914 113 113 LEU HB2 H 2.05 0.02 1 915 113 113 LEU HB3 H 2.05 0.02 1 916 113 113 LEU HG H 1.48 0.02 1 917 113 113 LEU HD1 H 0.69 0.02 1 918 113 113 LEU HD2 H 0.69 0.02 1 919 113 113 LEU CA C 57.83 0.3 1 920 113 113 LEU CB C 42.29 0.3 1 921 113 113 LEU CG C 26.24 0.3 1 922 113 113 LEU CD1 C 22.94 0.3 1 923 113 113 LEU CD2 C 22.94 0.3 1 924 113 113 LEU N N 118.72 0.15 1 925 114 114 GLN H H 8.06 0.02 1 926 114 114 GLN HA H 4.06 0.02 1 927 114 114 GLN HB2 H 2.14 0.02 1 928 114 114 GLN HB3 H 2.14 0.02 1 929 114 114 GLN HG2 H 2.34 0.02 1 930 114 114 GLN HG3 H 2.34 0.02 1 931 114 114 GLN CA C 59.68 0.3 1 932 114 114 GLN CB C 30.09 0.3 1 933 114 114 GLN CG C 34.47 0.3 1 934 114 114 GLN N N 118.27 0.15 1 935 115 115 ASN H H 8.02 0.02 1 936 115 115 ASN HA H 4.39 0.02 1 937 115 115 ASN HB2 H 2.75 0.02 1 938 115 115 ASN HB3 H 2.75 0.02 1 939 115 115 ASN CA C 55.92 0.3 1 940 115 115 ASN CB C 39.02 0.3 1 941 115 115 ASN N N 116.29 0.15 1 942 116 116 ARG H H 8.3 0.02 1 943 116 116 ARG HA H 3.95 0.02 1 944 116 116 ARG HG2 H 1.29 0.02 1 945 116 116 ARG HG3 H 1.29 0.02 1 946 116 116 ARG HD2 H 2.92 0.02 1 947 116 116 ARG HD3 H 2.92 0.02 1 948 116 116 ARG CA C 58.29 0.3 1 949 116 116 ARG CB C 30.83 0.3 1 950 116 116 ARG CG C 27.46 0.3 1 951 116 116 ARG CD C 43.54 0.3 1 952 116 116 ARG N N 117.66 0.15 1 953 117 117 TYR H H 7.51 0.02 1 954 117 117 TYR HA H 3.39 0.02 1 955 117 117 TYR HB2 H 2.71 0.02 1 956 117 117 TYR HB3 H 2.71 0.02 1 957 117 117 TYR CA C 57.25 0.3 1 958 117 117 TYR CB C 40.14 0.3 1 959 117 117 TYR N N 112.24 0.15 1 960 118 118 GLY H H 7.8 0.02 1 961 118 118 GLY HA2 H 3.98 0.02 1 962 118 118 GLY HA3 H 3.98 0.02 1 963 118 118 GLY CA C 46.77 0.3 1 964 118 118 GLY N N 108.71 0.15 1 965 119 119 ILE H H 6.64 0.02 1 966 119 119 ILE HA H 4.31 0.02 1 967 119 119 ILE HB H 1.84 0.02 1 968 119 119 ILE HG12 H 1.02 0.02 1 969 119 119 ILE HG13 H 1.02 0.02 1 970 119 119 ILE HG2 H 0.89 0.02 1 971 119 119 ILE HD1 H 0.69 0.02 1 972 119 119 ILE CA C 60.08 0.3 1 973 119 119 ILE CB C 39 0.3 1 974 119 119 ILE CG1 C 26.2 0.3 1 975 119 119 ILE CG2 C 17.59 0.3 1 976 119 119 ILE CD1 C 13.51 0.3 1 977 119 119 ILE N N 113.16 0.15 1 978 120 120 ASP H H 8.39 0.02 1 979 120 120 ASP HA H 4.49 0.02 1 980 120 120 ASP HB2 H 2.91 0.02 2 981 120 120 ASP HB3 H 2.66 0.02 2 982 120 120 ASP CA C 54.09 0.3 1 983 120 120 ASP CB C 42.48 0.3 1 984 120 120 ASP N N 121.91 0.15 1 985 121 121 LYS H H 8.43 0.02 1 986 121 121 LYS HA H 3.68 0.02 1 987 121 121 LYS HB2 H 1.85 0.02 1 988 121 121 LYS HB3 H 1.85 0.02 1 989 121 121 LYS HG2 H 1.32 0.02 1 990 121 121 LYS HG3 H 1.32 0.02 1 991 121 121 LYS HD2 H 1.7 0.02 1 992 121 121 LYS HD3 H 1.7 0.02 1 993 121 121 LYS HE2 H 2.98 0.02 1 994 121 121 LYS HE3 H 2.98 0.02 1 995 121 121 LYS CA C 60.23 0.3 1 996 121 121 LYS CB C 33.06 0.3 1 997 121 121 LYS CG C 24.49 0.3 1 998 121 121 LYS CD C 29.62 0.3 1 999 121 121 LYS CE C 42.18 0.3 1 1000 121 121 LYS N N 121.29 0.15 1 1001 122 122 GLN H H 8.29 0.02 1 1002 122 122 GLN HA H 4.12 0.02 1 1003 122 122 GLN HB2 H 2.13 0.02 1 1004 122 122 GLN HB3 H 2.13 0.02 1 1005 122 122 GLN HG2 H 2.39 0.02 1 1006 122 122 GLN HG3 H 2.39 0.02 1 1007 122 122 GLN CA C 59.31 0.3 1 1008 122 122 GLN CB C 28.31 0.3 1 1009 122 122 GLN CG C 34.56 0.3 1 1010 122 122 GLN N N 117.61 0.15 1 1011 123 123 GLN H H 8.04 0.02 1 1012 123 123 GLN HA H 4.02 0.02 1 1013 123 123 GLN HB2 H 2.25 0.02 1 1014 123 123 GLN HB3 H 2.25 0.02 1 1015 123 123 GLN HG2 H 2.47 0.02 1 1016 123 123 GLN HG3 H 2.47 0.02 1 1017 123 123 GLN CA C 58.55 0.3 1 1018 123 123 GLN CB C 29.18 0.3 1 1019 123 123 GLN CG C 34.55 0.3 1 1020 123 123 GLN N N 119.13 0.15 1 1021 124 124 ALA H H 8.62 0.02 1 1022 124 124 ALA HA H 3.82 0.02 1 1023 124 124 ALA HB H 1.5 0.02 1 1024 124 124 ALA CA C 55.5 0.3 1 1025 124 124 ALA CB C 18.9 0.3 1 1026 124 124 ALA N N 120.94 0.15 1 1027 125 125 GLU H H 8.08 0.02 1 1028 125 125 GLU HA H 3.94 0.02 1 1029 125 125 GLU HB2 H 2.15 0.02 1 1030 125 125 GLU HB3 H 2.09 0.02 1 1031 125 125 GLU HG2 H 2.47 0.02 1 1032 125 125 GLU HG3 H 2.47 0.02 1 1033 125 125 GLU CA C 59.99 0.3 1 1034 125 125 GLU CB C 29.53 0.3 1 1035 125 125 GLU CG C 36.77 0.3 1 1036 125 125 GLU N N 117.23 0.15 1 1037 126 126 ILE H H 7.61 0.02 1 1038 126 126 ILE CA C 64.87 0.3 1 1039 126 126 ILE CB C 38.26 0.3 1 1040 126 126 ILE N N 119.17 0.15 1 1041 127 127 LEU HA H 3.97 0.02 1 1042 127 127 LEU HB2 H 1.79 0.02 2 1043 127 127 LEU HB3 H 1.7 0.02 2 1044 127 127 LEU HG H 1.41 0.02 1 1045 127 127 LEU HD1 H 0.82 0.02 1 1046 127 127 LEU HD2 H 0.82 0.02 1 1047 127 127 LEU CA C 57.87 0.3 1 1048 127 127 LEU CB C 42.55 0.3 1 1049 127 127 LEU CG C 27.11 0.3 1 1050 127 127 LEU CD1 C 25.43 0.3 1 1051 127 127 LEU CD2 C 24.62 0.3 1 1052 128 128 ALA H H 8.48 0.02 1 1053 128 128 ALA HA H 4.07 0.02 1 1054 128 128 ALA HB H 1.62 0.02 1 1055 128 128 ALA CA C 55.81 0.3 1 1056 128 128 ALA CB C 19.83 0.3 1 1057 128 128 ALA N N 120.39 0.15 1 1058 129 129 VAL H H 8.03 0.02 1 1059 129 129 VAL HA H 3.65 0.02 1 1060 129 129 VAL HB H 1.39 0.02 1 1061 129 129 VAL HG1 H 0.96 0.02 1 1062 129 129 VAL HG2 H 0.96 0.02 1 1063 129 129 VAL CA C 66.44 0.3 1 1064 129 129 VAL CB C 32.06 0.3 1 1065 129 129 VAL CG1 C 23.28 0.3 1 1066 129 129 VAL CG2 C 23.28 0.3 1 1067 129 129 VAL N N 116.25 0.15 1 1068 130 130 ALA H H 7.96 0.02 1 1069 130 130 ALA HB H 1.45 0.02 1 1070 130 130 ALA CA C 54.77 0.3 1 1071 130 130 ALA CB C 18.39 0.3 1 1072 130 130 ALA N N 123.16 0.15 1 1073 131 131 ALA H H 8.72 0.02 1 1074 131 131 ALA HA H 3.89 0.02 1 1075 131 131 ALA HB H 1.44 0.02 1 1076 131 131 ALA CA C 55.21 0.3 1 1077 131 131 ALA CB C 19.06 0.3 1 1078 131 131 ALA N N 120.16 0.15 1 1079 132 132 LEU H H 8.24 0.02 1 1080 132 132 LEU HA H 4.02 0.02 1 1081 132 132 LEU HB2 H 1.78 0.02 1 1082 132 132 LEU HB3 H 1.78 0.02 1 1083 132 132 LEU HG H 1.6 0.02 1 1084 132 132 LEU HD1 H 0.73 0.02 1 1085 132 132 LEU HD2 H 0.73 0.02 1 1086 132 132 LEU CA C 57.27 0.3 1 1087 132 132 LEU CB C 41.26 0.3 1 1088 132 132 LEU CG C 27.85 0.3 1 1089 132 132 LEU CD1 C 24.79 0.3 1 1090 132 132 LEU CD2 C 24.05 0.3 1 1091 132 132 LEU N N 116.22 0.15 1 1092 133 133 GLY H H 8.18 0.02 1 1093 133 133 GLY HA2 H 3.87 0.02 1 1094 133 133 GLY HA3 H 3.87 0.02 1 1095 133 133 GLY CA C 46.64 0.3 1 1096 133 133 GLY N N 107.56 0.15 1 1097 134 134 ALA H H 7.67 0.02 1 1098 134 134 ALA HA H 4.63 0.02 1 1099 134 134 ALA HB H 1.45 0.02 1 1100 134 134 ALA CA C 53.51 0.3 1 1101 134 134 ALA CB C 19.23 0.3 1 1102 134 134 ALA N N 122.35 0.15 1 1103 135 135 VAL H H 7.53 0.02 1 1104 135 135 VAL HA H 4.13 0.02 1 1105 135 135 VAL HB H 2.23 0.02 1 1106 135 135 VAL HG1 H 0.96 0.02 1 1107 135 135 VAL HG2 H 0.96 0.02 1 1108 135 135 VAL CA C 63.33 0.3 1 1109 135 135 VAL CB C 32.47 0.3 1 1110 135 135 VAL CG1 C 21.74 0.3 1 1111 135 135 VAL CG2 C 21.74 0.3 1 1112 135 135 VAL N N 112.23 0.15 1 1113 136 136 THR H H 7.94 0.02 1 1114 136 136 THR HB H 4.34 0.02 1 1115 136 136 THR HG2 H 1.25 0.02 1 1116 136 136 THR CA C 62.75 0.3 1 1117 136 136 THR CB C 70.01 0.3 1 1118 136 136 THR CG2 C 21.7 0.3 1 1119 136 136 THR N N 112.65 0.15 1 1120 137 137 GLY H H 8.13 0.02 1 1121 137 137 GLY HA2 H 4.01 0.02 1 1122 137 137 GLY HA3 H 4.01 0.02 1 1123 137 137 GLY CA C 45.9 0.3 1 1124 137 137 GLY N N 110.43 0.15 1 1125 138 138 GLY H H 8.24 0.02 1 1126 138 138 GLY HA2 H 3.96 0.02 1 1127 138 138 GLY HA3 H 3.96 0.02 1 1128 138 138 GLY CA C 45.55 0.3 1 1129 138 138 GLY N N 108.38 0.15 1 1130 139 139 MET H H 8.18 0.02 1 1131 139 139 MET HA H 4.47 0.02 1 1132 139 139 MET HB2 H 2.11 0.02 1 1133 139 139 MET HB3 H 2.11 0.02 1 1134 139 139 MET HG2 H 2.6 0.02 2 1135 139 139 MET HG3 H 2.54 0.02 2 1136 139 139 MET CA C 55.71 0.3 1 1137 139 139 MET CB C 32.8 0.3 1 1138 139 139 MET CG C 32.35 0.3 1 1139 139 139 MET N N 119.26 0.15 1 1140 140 140 GLY H H 8.42 0.02 1 1141 140 140 GLY HA2 H 3.96 0.02 1 1142 140 140 GLY HA3 H 3.96 0.02 1 1143 140 140 GLY CA C 45.47 0.3 1 1144 140 140 GLY N N 109.48 0.15 1 1145 141 141 LYS H H 8.17 0.02 1 1146 141 141 LYS HA H 4.38 0.02 1 1147 141 141 LYS HB2 H 1.86 0.02 1 1148 141 141 LYS HB3 H 1.86 0.02 1 1149 141 141 LYS HG2 H 1.43 0.02 1 1150 141 141 LYS HG3 H 1.43 0.02 1 1151 141 141 LYS HD2 H 1.71 0.02 1 1152 141 141 LYS HD3 H 1.71 0.02 1 1153 141 141 LYS HE2 H 2.99 0.02 1 1154 141 141 LYS HE3 H 2.99 0.02 1 1155 141 141 LYS CA C 56.25 0.3 1 1156 141 141 LYS CB C 33.11 0.3 1 1157 141 141 LYS CG C 24.82 0.3 1 1158 141 141 LYS CD C 29.16 0.3 1 1159 141 141 LYS CE C 42.11 0.3 1 1160 141 141 LYS N N 120.63 0.15 1 1161 142 142 SER H H 8.43 0.02 1 1162 142 142 SER HA H 4.47 0.02 1 1163 142 142 SER HB2 H 3.89 0.02 1 1164 142 142 SER HB3 H 3.89 0.02 1 1165 142 142 SER CA C 58.57 0.3 1 1166 142 142 SER CB C 63.88 0.3 1 1167 142 142 SER N N 116.81 0.15 1 1168 143 143 GLY H H 8.45 0.02 1 1169 143 143 GLY HA2 H 4.03 0.02 1 1170 143 143 GLY HA3 H 4.03 0.02 1 1171 143 143 GLY CA C 45.52 0.3 1 1172 143 143 GLY N N 110.77 0.15 1 1173 144 144 THR H H 8.08 0.02 1 1174 144 144 THR HA H 4.4 0.02 1 1175 144 144 THR HB H 4.26 0.02 1 1176 144 144 THR HG2 H 1.2 0.02 1 1177 144 144 THR CA C 61.87 0.3 1 1178 144 144 THR CB C 69.89 0.3 1 1179 144 144 THR CG2 C 21.67 0.3 1 1180 144 144 THR N N 113.28 0.15 1 1181 145 145 SER H H 8.39 0.02 1 1182 145 145 SER HA H 4.55 0.02 1 1183 145 145 SER HB2 H 3.89 0.02 1 1184 145 145 SER HB3 H 3.89 0.02 1 1185 145 145 SER CA C 58.42 0.3 1 1186 145 145 SER CB C 63.88 0.3 1 1187 145 145 SER N N 118.25 0.15 1 1188 146 146 THR H H 8.24 0.02 1 1189 146 146 THR HA H 4.35 0.02 1 1190 146 146 THR HB H 4.21 0.02 1 1191 146 146 THR HG2 H 1.19 0.02 1 1192 146 146 THR CA C 62.15 0.3 1 1193 146 146 THR CB C 69.68 0.3 1 1194 146 146 THR CG2 C 21.79 0.3 1 1195 146 146 THR N N 116.47 0.15 1 1196 147 147 VAL H H 8.13 0.02 1 1197 147 147 VAL HA H 4.17 0.02 1 1198 147 147 VAL HB H 2.07 0.02 1 1199 147 147 VAL HG1 H 0.93 0.02 1 1200 147 147 VAL HG2 H 0.93 0.02 1 1201 147 147 VAL CA C 62.55 0.3 1 1202 147 147 VAL CB C 32.75 0.3 1 1203 147 147 VAL CG1 C 21.01 0.3 1 1204 147 147 VAL CG2 C 21.01 0.3 1 1205 147 147 VAL N N 122.34 0.15 1 1206 148 148 THR H H 8.19 0.02 1 1207 148 148 THR HA H 4.3 0.02 1 1208 148 148 THR HB H 4.17 0.02 1 1209 148 148 THR HG2 H 1.18 0.02 1 1210 148 148 THR CA C 62.04 0.3 1 1211 148 148 THR CB C 69.7 0.3 1 1212 148 148 THR CG2 C 21.8 0.3 1 1213 148 148 THR N N 118.26 0.15 1 1214 149 149 LYS H H 8.27 0.02 1 1215 149 149 LYS HA H 4.29 0.02 1 1216 149 149 LYS HB2 H 1.76 0.02 1 1217 149 149 LYS HB3 H 1.76 0.02 1 1218 149 149 LYS HG2 H 1.39 0.02 1 1219 149 149 LYS HG3 H 1.39 0.02 1 1220 149 149 LYS HD2 H 1.69 0.02 1 1221 149 149 LYS HD3 H 1.69 0.02 1 1222 149 149 LYS HE2 H 2.96 0.02 1 1223 149 149 LYS HE3 H 2.96 0.02 1 1224 149 149 LYS CA C 56.49 0.3 1 1225 149 149 LYS CB C 33.13 0.3 1 1226 149 149 LYS CG C 24.75 0.3 1 1227 149 149 LYS CD C 29.13 0.3 1 1228 149 149 LYS CE C 42.2 0.3 1 1229 149 149 LYS N N 123.74 0.15 1 1230 150 150 ASN H H 8.43 0.02 1 1231 150 150 ASN HA H 4.65 0.02 1 1232 150 150 ASN HB2 H 2.77 0.02 1 1233 150 150 ASN HB3 H 2.77 0.02 1 1234 150 150 ASN CA C 53.42 0.3 1 1235 150 150 ASN CB C 38.74 0.3 1 1236 150 150 ASN N N 119.76 0.15 1 stop_ save_