data_27753 ####################### # 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 27753 _BMRB_flat_file_name bmr27753.str _Entry_type original _Submission_date 2019-01-15 _Accession_date 2019-01-15 _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" 695 "13C chemical shifts" 421 "15N chemical shifts" 136 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 27754 'CdiA-CT MHI813 Cys21Ser Cys27Ser 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 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label CdiA-CT $CdiA-CT stop_ _System_molecular_weight 15943 _System_physical_state 'partially disordered' _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 cytoplasm entry domain monomer' save_ ######################## # Monomeric polymers # ######################## save_CdiA-CT _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common CdiA-CT _Molecular_mass 15943 _Mol_thiol_state 'all free' 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 CEVRGDCKQIVKEMEELSLK 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 CYS 22 GLU 23 VAL 24 ARG 25 GLY 26 ASP 27 CYS 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 CdiA . . . . . 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 '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 '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 reduced by the presence of 10 mM dithiothreitol' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $CdiA-CT 1.4 mM '[U-99% 13C; U-99% 15N]' 'sodium phosphate' 50 mM 'natural abundance' 'sodium azide' 3 mM 'natural abundance' Dithiothrietol 10 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 _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 8.08 0.02 1 2 1 1 VAL HA H 4.14 0.02 1 3 1 1 VAL HB H 2.05 0.02 1 4 1 1 VAL HG1 H 0.93 0.02 1 5 1 1 VAL HG2 H 0.93 0.02 1 6 1 1 VAL CA C 62.49 0.3 1 7 1 1 VAL CB C 32.81 0.3 1 8 1 1 VAL CG1 C 20.93 0.3 1 9 1 1 VAL CG2 C 20.93 0.3 1 10 1 1 VAL N N 124.63 0.15 1 11 2 2 GLU H H 8.58 0.02 1 12 2 2 GLU HA H 4.35 0.02 1 13 2 2 GLU HB2 H 2.03 0.02 2 14 2 2 GLU HB3 H 1.91 0.02 2 15 2 2 GLU HG2 H 2.25 0.02 1 16 2 2 GLU HG3 H 2.25 0.02 1 17 2 2 GLU CA C 56.35 0.3 1 18 2 2 GLU CB C 30.44 0.3 1 19 2 2 GLU CG C 36.21 0.3 1 20 2 2 GLU N N 125 0.15 1 21 3 3 ASN H H 8.54 0.02 1 22 3 3 ASN HA H 4.62 0.02 1 23 3 3 ASN HB2 H 2.67 0.02 1 24 3 3 ASN HB3 H 2.67 0.02 1 25 3 3 ASN CA C 53.22 0.3 1 26 3 3 ASN CB C 39.01 0.3 1 27 3 3 ASN N N 120.18 0.15 1 28 4 4 ASN H H 8.36 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 38.78 0.3 1 34 4 4 ASN N N 119.21 0.15 1 35 5 5 PHE H H 8.09 0.02 1 36 5 5 PHE HA H 4.61 0.02 1 37 5 5 PHE HB2 H 3.16 0.02 1 38 5 5 PHE HB3 H 3.02 0.02 1 39 5 5 PHE CA C 57.75 0.3 1 40 5 5 PHE CB C 39.22 0.3 1 41 5 5 PHE N N 119.73 0.15 1 42 6 6 LEU H H 8.03 0.02 1 43 6 6 LEU HA H 4.43 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 0.86 0.02 1 48 6 6 LEU HD2 H 0.86 0.02 1 49 6 6 LEU CA C 55.03 0.3 1 50 6 6 LEU CB C 42.8 0.3 1 51 6 6 LEU CG C 26.91 0.3 1 52 6 6 LEU CD1 C 25.18 0.3 1 53 6 6 LEU CD2 C 23.52 0.3 1 54 6 6 LEU N N 122.62 0.15 1 55 7 7 THR H H 8.06 0.02 1 56 7 7 THR HA H 4.36 0.02 1 57 7 7 THR HB H 4.36 0.02 1 58 7 7 THR HG2 H 1.22 0.02 1 59 7 7 THR CA C 61.31 0.3 1 60 7 7 THR CB C 70.14 0.3 1 61 7 7 THR CG2 C 21.71 0.3 1 62 7 7 THR N N 113.6 0.15 1 63 8 8 ALA H H 8.39 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 53.58 0.3 1 67 8 8 ALA CB C 19.02 0.3 1 68 8 8 ALA N N 125.01 0.15 1 69 9 9 ASP H H 8.26 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 55.01 0.3 1 74 9 9 ASP CB C 40.92 0.3 1 75 9 9 ASP N N 117.47 0.15 1 76 10 10 GLN H H 8.01 0.02 1 77 10 10 GLN HA H 4.26 0.02 1 78 10 10 GLN HB2 H 2.08 0.02 1 79 10 10 GLN HB3 H 2.08 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 56.37 0.3 1 83 10 10 GLN CB C 29.56 0.3 1 84 10 10 GLN CG C 34.01 0.3 1 85 10 10 GLN N N 119.68 0.15 1 86 11 11 ILE H H 8.01 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 HG12 H 1.49 0.02 2 90 11 11 ILE HG13 H 1.14 0.02 2 91 11 11 ILE CA C 62.19 0.3 1 92 11 11 ILE CB C 38.72 0.3 1 93 11 11 ILE CG1 C 27.74 0.3 1 94 11 11 ILE CG2 C 17.43 0.3 1 95 11 11 ILE CD1 C 13.06 0.3 1 96 11 11 ILE N N 121.18 0.15 1 97 12 12 ASP H H 8.3 0.02 1 98 12 12 ASP HA H 4.58 0.02 1 99 12 12 ASP HB2 H 2.66 0.02 1 100 12 12 ASP HB3 H 2.66 0.02 1 101 12 12 ASP CA C 54.9 0.3 1 102 12 12 ASP CB C 41.13 0.3 1 103 12 12 ASP N N 122.91 0.15 1 104 13 13 SER H H 8.13 0.02 1 105 13 13 SER HA H 4.29 0.02 1 106 13 13 SER HB2 H 3.81 0.02 1 107 13 13 SER HB3 H 3.81 0.02 1 108 13 13 SER CA C 59.63 0.3 1 109 13 13 SER CB C 63.46 0.3 1 110 13 13 SER N N 116.46 0.15 1 111 14 14 PHE H H 8.17 0.02 1 112 14 14 PHE HA H 4.47 0.02 1 113 14 14 PHE HB2 H 3.15 0.02 1 114 14 14 PHE HB3 H 3.15 0.02 1 115 14 14 PHE CA C 59 0.3 1 116 14 14 PHE CB C 38.95 0.3 1 117 14 14 PHE N N 121.63 0.15 1 118 15 15 ALA H H 8.01 0.02 1 119 15 15 ALA HA H 4.19 0.02 1 120 15 15 ALA HB H 1.39 0.02 1 121 15 15 ALA CA C 53.32 0.3 1 122 15 15 ALA CB C 18.87 0.3 1 123 15 15 ALA N N 123.68 0.15 1 124 16 16 ALA H H 7.98 0.02 1 125 16 16 ALA HA H 4.19 0.02 1 126 16 16 ALA HB H 1.4 0.02 1 127 16 16 ALA CA C 53.17 0.3 1 128 16 16 ALA CB C 18.88 0.3 1 129 16 16 ALA N N 121.65 0.15 1 130 17 17 LYS H H 7.95 0.02 1 131 17 17 LYS HA H 4.22 0.02 1 132 17 17 LYS HB2 H 1.8 0.02 1 133 17 17 LYS HB3 H 1.8 0.02 1 134 17 17 LYS HG2 H 1.45 0.02 1 135 17 17 LYS HG3 H 1.45 0.02 1 136 17 17 LYS HD2 H 1.67 0.02 1 137 17 17 LYS HD3 H 1.67 0.02 1 138 17 17 LYS HE2 H 2.97 0.02 1 139 17 17 LYS HE3 H 2.97 0.02 1 140 17 17 LYS CA C 56.69 0.3 1 141 17 17 LYS CB C 32.94 0.3 1 142 17 17 LYS CG C 24.82 0.3 1 143 17 17 LYS CD C 29.11 0.3 1 144 17 17 LYS CE C 42.12 0.3 1 145 17 17 LYS N N 119.31 0.15 1 146 18 18 ALA H H 8.05 0.02 1 147 18 18 ALA HA H 4.2 0.02 1 148 18 18 ALA HB H 1.36 0.02 1 149 18 18 ALA CA C 52.81 0.3 1 150 18 18 ALA CB C 19.15 0.3 1 151 18 18 ALA N N 124.08 0.15 1 152 19 19 LYS H H 8.13 0.02 1 153 19 19 LYS HA H 4.27 0.02 1 154 19 19 LYS HB2 H 1.83 0.02 1 155 19 19 LYS HB3 H 1.83 0.02 1 156 19 19 LYS HG2 H 1.46 0.02 1 157 19 19 LYS HG3 H 1.46 0.02 1 158 19 19 LYS HD2 H 1.67 0.02 1 159 19 19 LYS HD3 H 1.67 0.02 1 160 19 19 LYS HE2 H 2.98 0.02 1 161 19 19 LYS HE3 H 2.98 0.02 1 162 19 19 LYS CA C 56.69 0.3 1 163 19 19 LYS CB C 33 0.3 1 164 19 19 LYS CG C 24.73 0.3 1 165 19 19 LYS CD C 29.08 0.3 1 166 19 19 LYS CE C 42.1 0.3 1 167 19 19 LYS N N 120.02 0.15 1 168 20 20 GLY H H 8.37 0.02 1 169 20 20 GLY HA2 H 3.99 0.02 1 170 20 20 GLY HA3 H 3.99 0.02 1 171 20 20 GLY CA C 45.47 0.3 1 172 20 20 GLY N N 109.67 0.15 1 173 21 21 CYS H H 8.16 0.02 1 174 21 21 CYS HA H 4.52 0.02 1 175 21 21 CYS HB2 H 2.93 0.02 1 176 21 21 CYS HB3 H 2.93 0.02 1 177 21 21 CYS CA C 58.45 0.3 1 178 21 21 CYS CB C 28.22 0.3 1 179 21 21 CYS N N 118.4 0.15 1 180 22 22 GLU H H 8.56 0.02 1 181 22 22 GLU HA H 4.29 0.02 1 182 22 22 GLU HB2 H 1.97 0.02 1 183 22 22 GLU HB3 H 1.97 0.02 1 184 22 22 GLU HG2 H 2.24 0.02 1 185 22 22 GLU HG3 H 2.24 0.02 1 186 22 22 GLU CA C 56.83 0.3 1 187 22 22 GLU CB C 30.23 0.3 1 188 22 22 GLU CG C 36.29 0.3 1 189 22 22 GLU N N 123.39 0.15 1 190 23 23 VAL H H 8.18 0.02 1 191 23 23 VAL HA H 4.1 0.02 1 192 23 23 VAL HB H 2.05 0.02 1 193 23 23 VAL HG1 H 0.91 0.02 1 194 23 23 VAL HG2 H 0.91 0.02 1 195 23 23 VAL CA C 62.38 0.3 1 196 23 23 VAL CB C 32.65 0.3 1 197 23 23 VAL CG1 C 21.12 0.3 1 198 23 23 VAL CG2 C 21.12 0.3 1 199 23 23 VAL N N 121.74 0.15 1 200 24 24 ARG H H 8.42 0.02 1 201 24 24 ARG HA H 4.38 0.02 1 202 24 24 ARG HB2 H 1.77 0.02 1 203 24 24 ARG HB3 H 1.77 0.02 1 204 24 24 ARG HG2 H 1.63 0.02 1 205 24 24 ARG HG3 H 1.63 0.02 1 206 24 24 ARG HD2 H 3.2 0.02 1 207 24 24 ARG HD3 H 3.2 0.02 1 208 24 24 ARG CA C 56.03 0.3 1 209 24 24 ARG CB C 31.14 0.3 1 210 24 24 ARG CG C 27.17 0.3 1 211 24 24 ARG CD C 43.32 0.3 1 212 24 24 ARG N N 125.09 0.15 1 213 25 25 GLY H H 8.4 0.02 1 214 25 25 GLY HA2 H 3.95 0.02 1 215 25 25 GLY HA3 H 3.95 0.02 1 216 25 25 GLY CA C 45.44 0.3 1 217 25 25 GLY N N 109.94 0.15 1 218 26 26 ASP H H 8.28 0.02 1 219 26 26 ASP HA H 4.62 0.02 1 220 26 26 ASP HB2 H 2.68 0.02 1 221 26 26 ASP HB3 H 2.68 0.02 1 222 26 26 ASP CA C 54.08 0.3 1 223 26 26 ASP CB C 41.22 0.3 1 224 26 26 ASP N N 120.12 0.15 1 225 27 27 CYS H H 8.31 0.02 1 226 27 27 CYS HA H 4.46 0.02 1 227 27 27 CYS HB2 H 2.95 0.02 1 228 27 27 CYS HB3 H 2.95 0.02 1 229 27 27 CYS CA C 58.88 0.3 1 230 27 27 CYS CB C 27.83 0.3 1 231 27 27 CYS N N 119.52 0.15 1 232 28 28 LYS H H 8.37 0.02 1 233 28 28 LYS CA C 56.9 0.3 1 234 28 28 LYS CB C 32.74 0.3 1 235 28 28 LYS N N 123.08 0.15 1 236 29 29 GLN HA H 4.33 0.02 1 237 29 29 GLN HB2 H 1.99 0.02 1 238 29 29 GLN HB3 H 1.99 0.02 1 239 29 29 GLN HG2 H 2.32 0.02 1 240 29 29 GLN HG3 H 2.32 0.02 1 241 29 29 GLN CA C 56.24 0.3 1 242 29 29 GLN CB C 29.34 0.3 1 243 29 29 GLN CG C 33.74 0.3 1 244 30 30 ILE H H 8.13 0.02 1 245 30 30 ILE HA H 4.11 0.02 1 246 30 30 ILE HB H 1.85 0.02 1 247 30 30 ILE HG12 H 1.48 0.02 2 248 30 30 ILE HG13 H 1.18 0.02 2 249 30 30 ILE CA C 61.61 0.3 1 250 30 30 ILE CB C 38.55 0.3 1 251 30 30 ILE CG1 C 27.57 0.3 1 252 30 30 ILE CG2 C 17.62 0.3 1 253 30 30 ILE CD1 C 12.93 0.3 1 254 30 30 ILE N N 122.29 0.15 1 255 31 31 VAL H H 8.11 0.02 1 256 31 31 VAL HA H 4.04 0.02 1 257 31 31 VAL HB H 2.06 0.02 1 258 31 31 VAL HG1 H 0.93 0.02 1 259 31 31 VAL HG2 H 0.93 0.02 1 260 31 31 VAL CA C 62.99 0.3 1 261 31 31 VAL CB C 32.58 0.3 1 262 31 31 VAL CG1 C 21.16 0.3 1 263 31 31 VAL CG2 C 21.16 0.3 1 264 31 31 VAL N N 124.17 0.15 1 265 32 32 LYS H H 8.26 0.02 1 266 32 32 LYS CA C 56.98 0.3 1 267 32 32 LYS CB C 32.95 0.3 1 268 32 32 LYS N N 124.86 0.15 1 269 36 36 GLU HA H 4.2 0.02 1 270 36 36 GLU HB2 H 2.01 0.02 1 271 36 36 GLU HB3 H 2.01 0.02 1 272 36 36 GLU HG2 H 2.22 0.02 1 273 36 36 GLU HG3 H 2.22 0.02 1 274 36 36 GLU CA C 57.6 0.3 1 275 36 36 GLU CB C 30 0.3 1 276 36 36 GLU CG C 36.36 0.3 1 277 37 37 LEU H H 8.14 0.02 1 278 37 37 LEU HA H 4.29 0.02 1 279 37 37 LEU HB2 H 1.71 0.02 1 280 37 37 LEU HB3 H 1.71 0.02 1 281 37 37 LEU HG H 1.62 0.02 1 282 37 37 LEU HD1 H 0.9 0.02 1 283 37 37 LEU HD2 H 0.9 0.02 1 284 37 37 LEU CA C 56.2 0.3 1 285 37 37 LEU CB C 42.31 0.3 1 286 37 37 LEU CG C 27.07 0.3 1 287 37 37 LEU CD1 C 24.92 0.3 1 288 37 37 LEU CD2 C 23.67 0.3 1 289 37 37 LEU N N 122.23 0.15 1 290 38 38 SER H H 8.28 0.02 1 291 38 38 SER HA H 4.37 0.02 1 292 38 38 SER HB2 H 3.97 0.02 1 293 38 38 SER HB3 H 3.97 0.02 1 294 38 38 SER CA C 59.27 0.3 1 295 38 38 SER CB C 63.61 0.3 1 296 38 38 SER N N 116.18 0.15 1 297 39 39 LEU H H 8.12 0.02 1 298 39 39 LEU HA H 4.23 0.02 1 299 39 39 LEU HB2 H 1.65 0.02 1 300 39 39 LEU HB3 H 1.65 0.02 1 301 39 39 LEU HD1 H 0.9 0.02 1 302 39 39 LEU HD2 H 0.9 0.02 1 303 39 39 LEU CA C 56.72 0.3 1 304 39 39 LEU CB C 41.99 0.3 1 305 39 39 LEU CG C 27.03 0.3 1 306 39 39 LEU CD1 C 24.79 0.3 1 307 39 39 LEU CD2 C 23.59 0.3 1 308 39 39 LEU N N 123.07 0.15 1 309 40 40 LYS H H 8.06 0.02 1 310 40 40 LYS HA H 4.19 0.02 1 311 40 40 LYS HB2 H 1.84 0.02 1 312 40 40 LYS HB3 H 1.84 0.02 1 313 40 40 LYS HG2 H 1.52 0.02 1 314 40 40 LYS HG3 H 1.52 0.02 1 315 40 40 LYS HD2 H 1.67 0.02 1 316 40 40 LYS HD3 H 1.67 0.02 1 317 40 40 LYS HE2 H 2.98 0.02 1 318 40 40 LYS HE3 H 2.98 0.02 1 319 40 40 LYS CA C 57.81 0.3 1 320 40 40 LYS CB C 32.68 0.3 1 321 40 40 LYS CG C 24.83 0.3 1 322 40 40 LYS CD C 29.18 0.3 1 323 40 40 LYS CE C 42.11 0.3 1 324 40 40 LYS N N 120.29 0.15 1 325 41 41 GLN H H 8.13 0.02 1 326 41 41 GLN HA H 4.2 0.02 1 327 41 41 GLN HB2 H 2.09 0.02 1 328 41 41 GLN HB3 H 2.09 0.02 1 329 41 41 GLN HG2 H 2.4 0.02 1 330 41 41 GLN HG3 H 2.4 0.02 1 331 41 41 GLN CA C 57.37 0.3 1 332 41 41 GLN CB C 29.21 0.3 1 333 41 41 GLN CG C 34.1 0.3 1 334 41 41 GLN N N 119.48 0.15 1 335 42 42 GLN H H 8.28 0.02 1 336 42 42 GLN CA C 57.32 0.3 1 337 42 42 GLN CB C 29.22 0.3 1 338 42 42 GLN N N 120.07 0.15 1 339 44 44 GLU HA H 4.2 0.02 1 340 44 44 GLU HB2 H 2.02 0.02 1 341 44 44 GLU HB3 H 2.02 0.02 1 342 44 44 GLU HG2 H 2.29 0.02 1 343 44 44 GLU HG3 H 2.29 0.02 1 344 44 44 GLU CB C 29.85 0.3 1 345 44 44 GLU CG C 36.37 0.3 1 346 45 45 MET H H 8.29 0.02 1 347 45 45 MET HA H 4.39 0.02 1 348 45 45 MET HB2 H 2.08 0.02 1 349 45 45 MET HB3 H 2.08 0.02 1 350 45 45 MET HG2 H 2.58 0.02 1 351 45 45 MET HG3 H 2.58 0.02 1 352 45 45 MET CA C 56.4 0.3 1 353 45 45 MET CB C 32.92 0.3 1 354 45 45 MET CG C 32.12 0.3 1 355 45 45 MET N N 120.03 0.15 1 356 46 46 ILE H H 7.93 0.02 1 357 46 46 ILE HA H 4.05 0.02 1 358 46 46 ILE HB H 1.87 0.02 1 359 46 46 ILE HG12 H 1.52 0.02 2 360 46 46 ILE HG13 H 1.18 0.02 2 361 46 46 ILE CA C 61.95 0.3 1 362 46 46 ILE CB C 38.64 0.3 1 363 46 46 ILE CG1 C 27.69 0.3 1 364 46 46 ILE CG2 C 17.5 0.3 1 365 46 46 ILE CD1 C 13.05 0.3 1 366 46 46 ILE N N 120.94 0.15 1 367 47 47 ALA H H 8.11 0.02 1 368 47 47 ALA HA H 4.33 0.02 1 369 47 47 ALA HB H 1.4 0.02 1 370 47 47 ALA CA C 52.94 0.3 1 371 47 47 ALA CB C 19.21 0.3 1 372 47 47 ALA N N 126.37 0.15 1 373 48 48 VAL H H 8 0.02 1 374 48 48 VAL HA H 4.08 0.02 1 375 48 48 VAL HB H 2.12 0.02 1 376 48 48 VAL HG1 H 0.96 0.02 1 377 48 48 VAL HG2 H 0.96 0.02 1 378 48 48 VAL CA C 62.86 0.3 1 379 48 48 VAL CB C 32.63 0.3 1 380 48 48 VAL CG1 C 21.2 0.3 1 381 48 48 VAL CG2 C 21.2 0.3 1 382 48 48 VAL N N 118.61 0.15 1 383 49 49 CYS H H 8.27 0.02 1 384 49 49 CYS HA H 4.46 0.02 1 385 49 49 CYS HB2 H 2.93 0.02 1 386 49 49 CYS HB3 H 2.93 0.02 1 387 49 49 CYS CA C 58.95 0.3 1 388 49 49 CYS CB C 27.92 0.3 1 389 49 49 CYS N N 121.97 0.15 1 390 50 50 ALA H H 8.33 0.02 1 391 50 50 ALA HA H 4.34 0.02 1 392 50 50 ALA HB H 1.42 0.02 1 393 50 50 ALA CA C 52.97 0.3 1 394 50 50 ALA CB C 19.33 0.3 1 395 50 50 ALA N N 125.86 0.15 1 396 51 51 THR H H 7.97 0.02 1 397 51 51 THR HA H 4.25 0.02 1 398 51 51 THR HB H 4.25 0.02 1 399 51 51 THR HG2 H 1.18 0.02 1 400 51 51 THR CA C 61.93 0.3 1 401 51 51 THR CB C 69.76 0.3 1 402 51 51 THR CG2 C 21.81 0.3 1 403 51 51 THR N N 112.12 0.15 1 404 52 52 ASN H H 8.28 0.02 1 405 52 52 ASN CA C 51.17 0.3 1 406 52 52 ASN CB C 39.01 0.3 1 407 52 52 ASN N N 121.38 0.15 1 408 53 53 PRO HA H 4.38 0.02 1 409 53 53 PRO HB2 H 2.24 0.02 1 410 53 53 PRO HB3 H 2.24 0.02 1 411 53 53 PRO HG2 H 2.01 0.02 2 412 53 53 PRO CA C 63.97 0.3 1 413 53 53 PRO CB C 32.07 0.3 1 414 53 53 PRO CG C 27.24 0.3 1 415 53 53 PRO CD C 50.69 0.3 1 416 54 54 ALA H H 8.13 0.02 1 417 54 54 ALA HA H 4.25 0.02 1 418 54 54 ALA HB H 1.39 0.02 1 419 54 54 ALA CA C 52.83 0.3 1 420 54 54 ALA CB C 18.96 0.3 1 421 54 54 ALA N N 121.97 0.15 1 422 55 55 ALA H H 7.95 0.02 1 423 55 55 ALA HA H 4.28 0.02 1 424 55 55 ALA HB H 1.42 0.02 1 425 55 55 ALA CA C 52.79 0.3 1 426 55 55 ALA CB C 19.22 0.3 1 427 55 55 ALA N N 122.03 0.15 1 428 56 56 CYS H H 8.09 0.02 1 429 56 56 CYS HA H 4.46 0.02 1 430 56 56 CYS HB2 H 2.95 0.02 1 431 56 56 CYS HB3 H 2.95 0.02 1 432 56 56 CYS CA C 58.85 0.3 1 433 56 56 CYS CB C 27.88 0.3 1 434 56 56 CYS N N 117.89 0.15 1 435 57 57 LYS H H 8.3 0.02 1 436 57 57 LYS HA H 4.25 0.02 1 437 57 57 LYS HB2 H 1.8 0.02 1 438 57 57 LYS HB3 H 1.8 0.02 1 439 57 57 LYS HG2 H 1.43 0.02 1 440 57 57 LYS HG3 H 1.43 0.02 1 441 57 57 LYS HD2 H 1.67 0.02 1 442 57 57 LYS HD3 H 1.67 0.02 1 443 57 57 LYS HE2 H 2.98 0.02 1 444 57 57 LYS HE3 H 2.98 0.02 1 445 57 57 LYS CA C 57 0.3 1 446 57 57 LYS CB C 33 0.3 1 447 57 57 LYS CG C 24.64 0.3 1 448 57 57 LYS CD C 29.19 0.3 1 449 57 57 LYS CE C 42.1 0.3 1 450 57 57 LYS N N 123.42 0.15 1 451 58 58 GLU H H 8.44 0.02 1 452 58 58 GLU HA H 4.19 0.02 1 453 58 58 GLU HB2 H 1.92 0.02 1 454 58 58 GLU HB3 H 1.92 0.02 1 455 58 58 GLU HG2 H 2.22 0.02 1 456 58 58 GLU HG3 H 2.22 0.02 1 457 58 58 GLU CA C 57.02 0.3 1 458 58 58 GLU CB C 30.16 0.3 1 459 58 58 GLU CG C 36.27 0.3 1 460 58 58 GLU N N 121.34 0.15 1 461 59 59 LYS H H 8.14 0.02 1 462 59 59 LYS HA H 4.2 0.02 1 463 59 59 LYS HB2 H 1.9 0.02 1 464 59 59 LYS HB3 H 1.9 0.02 1 465 59 59 LYS HG2 H 1.26 0.02 1 466 59 59 LYS HG3 H 1.26 0.02 1 467 59 59 LYS HD2 H 1.62 0.02 1 468 59 59 LYS HD3 H 1.62 0.02 1 469 59 59 LYS HE2 H 2.93 0.02 1 470 59 59 LYS HE3 H 2.93 0.02 1 471 59 59 LYS CA C 56.47 0.3 1 472 59 59 LYS CB C 33.11 0.3 1 473 59 59 LYS CG C 24.6 0.3 1 474 59 59 LYS CD C 29.05 0.3 1 475 59 59 LYS CE C 42.07 0.3 1 476 59 59 LYS N N 121.24 0.15 1 477 60 60 PHE H H 8.24 0.02 1 478 60 60 PHE HA H 4.63 0.02 1 479 60 60 PHE HB2 H 3.19 0.02 1 480 60 60 PHE HB3 H 3.02 0.02 1 481 60 60 PHE CA C 57.83 0.3 1 482 60 60 PHE CB C 39.64 0.3 1 483 60 60 PHE N N 120.36 0.15 1 484 61 61 GLY H H 8.25 0.02 1 485 61 61 GLY HA2 H 3.92 0.02 1 486 61 61 GLY HA3 H 3.92 0.02 1 487 61 61 GLY CA C 45.44 0.3 1 488 61 61 GLY N N 109.85 0.15 1 489 62 62 ASP H H 8.17 0.02 1 490 62 62 ASP HA H 4.62 0.02 1 491 62 62 ASP HB2 H 2.68 0.02 2 492 62 62 ASP HB3 H 2.57 0.02 2 493 62 62 ASP CA C 54.28 0.3 1 494 62 62 ASP CB C 41.29 0.3 1 495 62 62 ASP N N 120.35 0.15 1 496 63 63 ILE H H 8.07 0.02 1 497 63 63 ILE CA C 59.71 0.3 1 498 63 63 ILE CB C 38.3 0.3 1 499 63 63 ILE N N 121.57 0.15 1 500 64 64 PRO HA H 4.39 0.02 1 501 64 64 PRO HB2 H 2.29 0.02 1 502 64 64 PRO HB3 H 2.29 0.02 1 503 64 64 PRO HG2 H 1.88 0.02 1 504 64 64 PRO HG3 H 1.88 0.02 1 505 64 64 PRO HD2 H 3.85 0.02 2 506 64 64 PRO HD3 H 3.68 0.02 2 507 64 64 PRO CA C 63.58 0.3 1 508 64 64 PRO CB C 31.98 0.3 1 509 64 64 PRO CG C 27.61 0.3 1 510 64 64 PRO CD C 50.77 0.3 1 511 65 65 ALA H H 8.27 0.02 1 512 65 65 ALA HA H 4.24 0.02 1 513 65 65 ALA HB H 1.43 0.02 1 514 65 65 ALA CA C 53.48 0.3 1 515 65 65 ALA CB C 18.9 0.3 1 516 65 65 ALA N N 123.54 0.15 1 517 66 66 LYS H H 8.44 0.02 1 518 66 66 LYS HA H 4.11 0.02 1 519 66 66 LYS HB2 H 1.83 0.02 1 520 66 66 LYS HB3 H 1.83 0.02 1 521 66 66 LYS HG2 H 1.43 0.02 1 522 66 66 LYS HG3 H 1.43 0.02 1 523 66 66 LYS HD2 H 1.68 0.02 1 524 66 66 LYS HD3 H 1.57 0.02 1 525 66 66 LYS HE2 H 2.98 0.02 1 526 66 66 LYS HE3 H 2.98 0.02 1 527 66 66 LYS CA C 58.57 0.3 1 528 66 66 LYS CB C 32.55 0.3 1 529 66 66 LYS CG C 25.34 0.3 1 530 66 66 LYS CD C 29.25 0.3 1 531 66 66 LYS CE C 42.04 0.3 1 532 66 66 LYS N N 119.12 0.15 1 533 67 67 GLY H H 8.43 0.02 1 534 67 67 GLY HA2 H 3.85 0.02 1 535 67 67 GLY HA3 H 3.85 0.02 1 536 67 67 GLY CA C 46.75 0.3 1 537 67 67 GLY N N 106.96 0.15 1 538 68 68 MET HA H 4.28 0.02 1 539 68 68 MET HB2 H 2.13 0.02 1 540 68 68 MET HB3 H 2.13 0.02 1 541 68 68 MET HG2 H 2.64 0.02 2 542 68 68 MET HG3 H 2.52 0.02 2 543 68 68 MET CA C 57.66 0.3 1 544 68 68 MET CB C 32.26 0.3 1 545 68 68 MET CG C 31.95 0.3 1 546 69 69 LEU H H 7.87 0.02 1 547 69 69 LEU HA H 4.19 0.02 1 548 69 69 LEU HB2 H 1.86 0.02 2 549 69 69 LEU HB3 H 1.75 0.02 2 550 69 69 LEU HG H 1.57 0.02 1 551 69 69 LEU HD1 H 0.91 0.02 1 552 69 69 LEU HD2 H 0.91 0.02 1 553 69 69 LEU CA C 57.32 0.3 1 554 69 69 LEU CB C 41.8 0.3 1 555 69 69 LEU CG C 26.99 0.3 1 556 69 69 LEU CD1 C 25.45 0.3 1 557 69 69 LEU CD2 C 23.28 0.3 1 558 69 69 LEU N N 120.65 0.15 1 559 70 70 VAL H H 7.96 0.02 1 560 70 70 VAL HA H 3.59 0.02 1 561 70 70 VAL HB H 2.17 0.02 1 562 70 70 VAL HG1 H 0.99 0.02 1 563 70 70 VAL HG2 H 0.99 0.02 1 564 70 70 VAL CA C 66.27 0.3 1 565 70 70 VAL CB C 31.76 0.3 1 566 70 70 VAL CG1 C 22.76 0.3 1 567 70 70 VAL CG2 C 22.76 0.3 1 568 70 70 VAL N N 119.68 0.15 1 569 71 71 ARG H H 8.05 0.02 1 570 71 71 ARG HA H 4.04 0.02 1 571 71 71 ARG HB2 H 1.94 0.02 1 572 71 71 ARG HB3 H 1.94 0.02 1 573 71 71 ARG HG2 H 1.76 0.02 1 574 71 71 ARG HG3 H 1.76 0.02 1 575 71 71 ARG HD2 H 3.13 0.02 1 576 71 71 ARG HD3 H 3.13 0.02 1 577 71 71 ARG CA C 58.79 0.3 1 578 71 71 ARG CB C 29.39 0.3 1 579 71 71 ARG CG C 27.4 0.3 1 580 71 71 ARG CD C 42.68 0.3 1 581 71 71 ARG N N 120.26 0.15 1 582 72 72 GLU H H 7.98 0.02 1 583 72 72 GLU HA H 4.07 0.02 1 584 72 72 GLU HB2 H 2.08 0.02 1 585 72 72 GLU HB3 H 2.08 0.02 1 586 72 72 GLU HG2 H 2.43 0.02 2 587 72 72 GLU HG3 H 2.27 0.02 2 588 72 72 GLU CA C 59.18 0.3 1 589 72 72 GLU CB C 29.64 0.3 1 590 72 72 GLU CG C 36.54 0.3 1 591 72 72 GLU N N 118.21 0.15 1 592 73 73 ALA H H 7.65 0.02 1 593 73 73 ALA HA H 4.1 0.02 1 594 73 73 ALA HB H 1.44 0.02 1 595 73 73 ALA CA C 54.94 0.3 1 596 73 73 ALA CB C 18.45 0.3 1 597 73 73 ALA N N 121.87 0.15 1 598 74 74 ILE H H 8.19 0.02 1 599 74 74 ILE HA H 3.67 0.02 1 600 74 74 ILE HB H 1.82 0.02 1 601 74 74 ILE HG12 H 1.56 0.02 1 602 74 74 ILE HG13 H 1.56 0.02 1 603 74 74 ILE HG2 H 0.89 0.02 1 604 74 74 ILE HD1 H 0.79 0.02 1 605 74 74 ILE CA C 64.46 0.3 1 606 74 74 ILE CB C 37.47 0.3 1 607 74 74 ILE CG1 C 26.91 0.3 1 608 74 74 ILE CG2 C 17.79 0.3 1 609 74 74 ILE CD1 C 13.46 0.3 1 610 74 74 ILE N N 117.06 0.15 1 611 75 75 ASP H H 8.26 0.02 1 612 75 75 ASP HA H 4.25 0.02 1 613 75 75 ASP HB2 H 2.81 0.02 2 614 75 75 ASP HB3 H 2.64 0.02 2 615 75 75 ASP CA C 57.59 0.3 1 616 75 75 ASP CB C 41 0.3 1 617 75 75 ASP N N 120.9 0.15 1 618 76 76 ARG H H 7.71 0.02 1 619 76 76 ARG HA H 4.1 0.02 1 620 76 76 ARG HB2 H 1.95 0.02 2 621 76 76 ARG HB3 H 1.8 0.02 2 622 76 76 ARG HG2 H 1.64 0.02 1 623 76 76 ARG HG3 H 1.64 0.02 1 624 76 76 ARG HD2 H 3.22 0.02 1 625 76 76 ARG HD3 H 3.22 0.02 1 626 76 76 ARG CA C 58.56 0.3 1 627 76 76 ARG CB C 30.6 0.3 1 628 76 76 ARG CG C 27.67 0.3 1 629 76 76 ARG CD C 43.42 0.3 1 630 76 76 ARG N N 117.29 0.15 1 631 77 77 VAL H H 7.66 0.02 1 632 77 77 VAL HA H 4.06 0.02 1 633 77 77 VAL HB H 2.06 0.02 1 634 77 77 VAL HG1 H 0.96 0.02 1 635 77 77 VAL HG2 H 0.96 0.02 1 636 77 77 VAL CA C 64.07 0.3 1 637 77 77 VAL CB C 32.87 0.3 1 638 77 77 VAL CG1 C 21.56 0.3 1 639 77 77 VAL CG2 C 21.56 0.3 1 640 77 77 VAL N N 115.67 0.15 1 641 78 78 LEU H H 8.21 0.02 1 642 78 78 LEU HA H 4.39 0.02 1 643 78 78 LEU HB2 H 1.76 0.02 1 644 78 78 LEU HB3 H 1.76 0.02 1 645 78 78 LEU HG H 1.41 0.02 1 646 78 78 LEU HD1 H 0.83 0.02 1 647 78 78 LEU HD2 H 0.83 0.02 1 648 78 78 LEU CA C 55.32 0.3 1 649 78 78 LEU CB C 42.56 0.3 1 650 78 78 LEU CG C 26.39 0.3 1 651 78 78 LEU CD1 C 22.91 0.3 1 652 78 78 LEU CD2 C 22.91 0.3 1 653 78 78 LEU N N 118.79 0.15 1 654 79 79 GLY H H 7.95 0.02 1 655 79 79 GLY HA2 H 4.06 0.02 1 656 79 79 GLY HA3 H 4.06 0.02 1 657 79 79 GLY CA C 45.72 0.3 1 658 79 79 GLY N N 107.04 0.15 1 659 80 80 THR H H 8.29 0.02 1 660 80 80 THR HA H 4.41 0.02 1 661 80 80 THR HB H 4.3 0.02 1 662 80 80 THR HG2 H 1.2 0.02 1 663 80 80 THR CA C 62.37 0.3 1 664 80 80 THR CB C 69.03 0.3 1 665 80 80 THR CG2 C 21.62 0.3 1 666 80 80 THR N N 111.71 0.15 1 667 81 81 ASP H H 8.52 0.02 1 668 81 81 ASP HA H 4.55 0.02 1 669 81 81 ASP HB2 H 2.71 0.02 1 670 81 81 ASP HB3 H 2.71 0.02 1 671 81 81 ASP CA C 55.24 0.3 1 672 81 81 ASP CB C 40.67 0.3 1 673 81 81 ASP N N 120.68 0.15 1 674 82 82 VAL H H 7.05 0.02 1 675 82 82 VAL CA C 59.18 0.3 1 676 82 82 VAL CB C 33.37 0.3 1 677 82 82 VAL N N 118.37 0.15 1 678 85 85 ALA HA H 4.15 0.02 1 679 85 85 ALA HB H 1.44 0.02 1 680 85 85 ALA CA C 55.33 0.3 1 681 85 85 ALA CB C 18.3 0.3 1 682 86 86 MET H H 7.03 0.02 1 683 86 86 MET HA H 4.13 0.02 1 684 86 86 MET HB2 H 2.07 0.02 1 685 86 86 MET HB3 H 2.07 0.02 1 686 86 86 MET HG2 H 2.26 0.02 1 687 86 86 MET HG3 H 2.26 0.02 1 688 86 86 MET CA C 58.31 0.3 1 689 86 86 MET CB C 33 0.3 1 690 86 86 MET CG C 32.09 0.3 1 691 86 86 MET N N 116.88 0.15 1 692 87 87 LYS H H 7.76 0.02 1 693 87 87 LYS HA H 3.78 0.02 1 694 87 87 LYS HB2 H 1.91 0.02 1 695 87 87 LYS HB3 H 1.91 0.02 1 696 87 87 LYS HG2 H 1.47 0.02 1 697 87 87 LYS HG3 H 1.47 0.02 1 698 87 87 LYS HD2 H 1.65 0.02 1 699 87 87 LYS HD3 H 1.65 0.02 1 700 87 87 LYS HE2 H 2.84 0.02 1 701 87 87 LYS HE3 H 2.84 0.02 1 702 87 87 LYS CA C 60.54 0.3 1 703 87 87 LYS CB C 32.07 0.3 1 704 87 87 LYS CG C 26.33 0.3 1 705 87 87 LYS CD C 29.84 0.3 1 706 87 87 LYS CE C 41.98 0.3 1 707 87 87 LYS N N 119.04 0.15 1 708 88 88 ASN H H 8.53 0.02 1 709 88 88 ASN HA H 4.41 0.02 1 710 88 88 ASN HB2 H 2.88 0.02 1 711 88 88 ASN HB3 H 2.88 0.02 1 712 88 88 ASN CA C 55.92 0.3 1 713 88 88 ASN CB C 37.86 0.3 1 714 88 88 ASN N N 118.71 0.15 1 715 89 89 ASP H H 7.89 0.02 1 716 89 89 ASP HA H 4.43 0.02 1 717 89 89 ASP HB2 H 2.88 0.02 1 718 89 89 ASP HB3 H 2.88 0.02 1 719 89 89 ASP CA C 57.79 0.3 1 720 89 89 ASP CB C 42.07 0.3 1 721 89 89 ASP N N 122.29 0.15 1 722 90 90 MET H H 8.57 0.02 1 723 90 90 MET HA H 4.11 0.02 1 724 90 90 MET HB2 H 2.1 0.02 1 725 90 90 MET HB3 H 1.9 0.02 1 726 90 90 MET HG2 H 2.51 0.02 2 727 90 90 MET HG3 H 2.24 0.02 2 728 90 90 MET CA C 59.58 0.3 1 729 90 90 MET CB C 33.7 0.3 1 730 90 90 MET CG C 32.31 0.3 1 731 90 90 MET N N 118.56 0.15 1 732 91 91 SER H H 8.09 0.02 1 733 91 91 SER HA H 4.05 0.02 1 734 91 91 SER HB2 H 3.87 0.02 1 735 91 91 SER HB3 H 3.87 0.02 1 736 91 91 SER CA C 62.46 0.3 1 737 91 91 SER CB C 62.78 0.3 1 738 91 91 SER N N 114.24 0.15 1 739 92 92 SER H H 7.89 0.02 1 740 92 92 SER HA H 4.22 0.02 1 741 92 92 SER HB2 H 4.04 0.02 1 742 92 92 SER HB3 H 4.04 0.02 1 743 92 92 SER CA C 61.5 0.3 1 744 92 92 SER CB C 62.79 0.3 1 745 92 92 SER N N 117.71 0.15 1 746 93 93 LEU H H 8.08 0.02 1 747 93 93 LEU HA H 4.15 0.02 1 748 93 93 LEU HB2 H 1.96 0.02 2 749 93 93 LEU HB3 H 1.85 0.02 2 750 93 93 LEU HG H 1.72 0.02 1 751 93 93 LEU HD1 H 0.91 0.02 1 752 93 93 LEU HD2 H 0.91 0.02 1 753 93 93 LEU CA C 58.17 0.3 1 754 93 93 LEU CB C 42.24 0.3 1 755 93 93 LEU CG C 27.22 0.3 1 756 93 93 LEU CD1 C 24.83 0.3 1 757 93 93 LEU CD2 C 24.06 0.3 1 758 93 93 LEU N N 123.22 0.15 1 759 94 94 LEU H H 8.18 0.02 1 760 94 94 LEU HA H 3.92 0.02 1 761 94 94 LEU HB2 H 1.88 0.02 1 762 94 94 LEU HB3 H 1.88 0.02 1 763 94 94 LEU HG H 1.61 0.02 1 764 94 94 LEU HD1 H 0.49 0.02 1 765 94 94 LEU HD2 H 0.49 0.02 1 766 94 94 LEU CA C 57.71 0.3 1 767 94 94 LEU CB C 41.47 0.3 1 768 94 94 LEU CG C 27.1 0.3 1 769 94 94 LEU CD1 C 24.56 0.3 2 770 94 94 LEU CD2 C 23.87 0.3 2 771 94 94 LEU N N 118.44 0.15 1 772 95 95 ALA H H 8.2 0.02 1 773 95 95 ALA HA H 3.92 0.02 1 774 95 95 ALA HB H 1.47 0.02 1 775 95 95 ALA CA C 55.46 0.3 1 776 95 95 ALA CB C 18.23 0.3 1 777 95 95 ALA N N 119.62 0.15 1 778 96 96 GLN H H 7.96 0.02 1 779 96 96 GLN HA H 4.1 0.02 1 780 96 96 GLN HB2 H 2.23 0.02 1 781 96 96 GLN HB3 H 2.23 0.02 1 782 96 96 GLN HG2 H 2.56 0.02 2 783 96 96 GLN HG3 H 2.41 0.02 2 784 96 96 GLN CA C 58.54 0.3 1 785 96 96 GLN CB C 28.75 0.3 1 786 96 96 GLN CG C 34.22 0.3 1 787 96 96 GLN N N 115.92 0.15 1 788 97 97 GLN H H 7.96 0.02 1 789 97 97 GLN HA H 4.12 0.02 1 790 97 97 GLN HB2 H 2.09 0.02 1 791 97 97 GLN HB3 H 2.09 0.02 1 792 97 97 GLN HG2 H 2.39 0.02 1 793 97 97 GLN HG3 H 2.39 0.02 1 794 97 97 GLN CA C 58.36 0.3 1 795 97 97 GLN CB C 29.05 0.3 1 796 97 97 GLN CG C 34.39 0.3 1 797 97 97 GLN N N 119.24 0.15 1 798 98 98 ILE H H 8.16 0.02 1 799 98 98 ILE HA H 3.73 0.02 1 800 98 98 ILE HB H 1.84 0.02 1 801 98 98 ILE HG12 H 1.05 0.02 1 802 98 98 ILE HG13 H 1.05 0.02 1 803 98 98 ILE HG2 H 0.84 0.02 1 804 98 98 ILE HD1 H 0.69 0.02 1 805 98 98 ILE CA C 64.06 0.3 1 806 98 98 ILE CB C 38.09 0.3 1 807 98 98 ILE CG1 C 28.77 0.3 1 808 98 98 ILE CG2 C 17.37 0.3 1 809 98 98 ILE CD1 C 13.65 0.3 1 810 98 98 ILE N N 118.91 0.15 1 811 99 99 GLU H H 7.84 0.02 1 812 99 99 GLU HA H 4.1 0.02 1 813 99 99 GLU HB2 H 2.08 0.02 1 814 99 99 GLU HB3 H 2.08 0.02 1 815 99 99 GLU HG2 H 2.3 0.02 1 816 99 99 GLU HG3 H 2.3 0.02 1 817 99 99 GLU CA C 58.21 0.3 1 818 99 99 GLU CB C 29.84 0.3 1 819 99 99 GLU CG C 36.36 0.3 1 820 99 99 GLU N N 120.11 0.15 1 821 100 100 ALA H H 7.75 0.02 1 822 100 100 ALA HA H 4.27 0.02 1 823 100 100 ALA HB H 1.48 0.02 1 824 100 100 ALA CA C 53.42 0.3 1 825 100 100 ALA CB C 19.34 0.3 1 826 100 100 ALA N N 120.66 0.15 1 827 101 101 GLU H H 8.26 0.02 1 828 101 101 GLU HA H 4.32 0.02 1 829 101 101 GLU HB2 H 2.01 0.02 1 830 101 101 GLU HB3 H 2.01 0.02 1 831 101 101 GLU HG2 H 2.28 0.02 1 832 101 101 GLU HG3 H 2.28 0.02 1 833 101 101 GLU CA C 56.84 0.3 1 834 101 101 GLU CB C 30.24 0.3 1 835 101 101 GLU CG C 36.26 0.3 1 836 101 101 GLU N N 115.75 0.15 1 837 102 102 GLY H H 8.22 0.02 1 838 102 102 GLY HA2 H 4.08 0.02 1 839 102 102 GLY HA3 H 3.88 0.02 1 840 102 102 GLY CA C 45.73 0.3 1 841 102 102 GLY N N 109.72 0.15 1 842 103 103 VAL H H 7.82 0.02 1 843 103 103 VAL HA H 4.17 0.02 1 844 103 103 VAL HB H 1.99 0.02 1 845 103 103 VAL HG1 H 0.87 0.02 1 846 103 103 VAL HG2 H 0.87 0.02 1 847 103 103 VAL CA C 62.12 0.3 1 848 103 103 VAL CB C 33.23 0.3 1 849 103 103 VAL CG1 C 21.05 0.3 1 850 103 103 VAL CG2 C 21.05 0.3 1 851 103 103 VAL N N 119.31 0.15 1 852 104 104 VAL H H 7.93 0.02 1 853 104 104 VAL HA H 4.33 0.02 1 854 104 104 VAL HB H 1.93 0.02 1 855 104 104 VAL HG1 H 0.81 0.02 1 856 104 104 VAL HG2 H 0.81 0.02 1 857 104 104 VAL CA C 61.11 0.3 1 858 104 104 VAL CB C 33.63 0.3 1 859 104 104 VAL CG1 C 21.01 0.3 1 860 104 104 VAL CG2 C 21.01 0.3 1 861 104 104 VAL N N 123.53 0.15 1 862 105 105 THR H H 8.14 0.02 1 863 105 105 THR HG2 H 1.27 0.02 1 864 105 105 THR CA C 60.47 0.3 1 865 105 105 THR CB C 71.07 0.3 1 866 105 105 THR CG2 C 21.93 0.3 1 867 105 105 THR N N 113.96 0.15 1 868 106 106 SER H H 9.02 0.02 1 869 106 106 SER HA H 4.05 0.02 1 870 106 106 SER HB2 H 3.93 0.02 1 871 106 106 SER HB3 H 3.93 0.02 1 872 106 106 SER CA C 62.15 0.3 1 873 106 106 SER N N 117.63 0.15 1 874 107 107 THR H H 7.88 0.02 1 875 107 107 THR HA H 4.07 0.02 1 876 107 107 THR HG2 H 1.26 0.02 1 877 107 107 THR CA C 65.68 0.3 1 878 107 107 THR CB C 68.68 0.3 1 879 107 107 THR CG2 C 21.95 0.3 1 880 107 107 THR N N 116.84 0.15 1 881 108 108 GLU H H 7.78 0.02 1 882 108 108 GLU HA H 4.2 0.02 1 883 108 108 GLU HB2 H 2.12 0.02 1 884 108 108 GLU HB3 H 2.12 0.02 1 885 108 108 GLU HG2 H 2.31 0.02 1 886 108 108 GLU HG3 H 2.31 0.02 1 887 108 108 GLU CA C 59.03 0.3 1 888 108 108 GLU CB C 29.6 0.3 1 889 108 108 GLU CG C 36.51 0.3 1 890 108 108 GLU N N 122.78 0.15 1 891 109 109 PHE H H 8.43 0.02 1 892 109 109 PHE HA H 4.56 0.02 1 893 109 109 PHE HB2 H 3.25 0.02 1 894 109 109 PHE HB3 H 2.94 0.02 1 895 109 109 PHE CA C 60.05 0.3 1 896 109 109 PHE CB C 39.21 0.3 1 897 109 109 PHE N N 120.79 0.15 1 898 110 110 ALA H H 8.66 0.02 1 899 110 110 ALA HA H 3.8 0.02 1 900 110 110 ALA HB H 1.44 0.02 1 901 110 110 ALA CA C 55.72 0.3 1 902 110 110 ALA CB C 17.84 0.3 1 903 110 110 ALA N N 120.35 0.15 1 904 111 111 SER H H 7.74 0.02 1 905 111 111 SER HA H 4.19 0.02 1 906 111 111 SER HB2 H 4.01 0.02 1 907 111 111 SER HB3 H 4.01 0.02 1 908 111 111 SER CA C 61.64 0.3 1 909 111 111 SER CB C 62.66 0.3 1 910 111 111 SER N N 113.37 0.15 1 911 112 112 GLN H H 7.82 0.02 1 912 112 112 GLN HA H 4.16 0.02 1 913 112 112 GLN HB2 H 2.36 0.02 1 914 112 112 GLN HB3 H 2.36 0.02 1 915 112 112 GLN HG2 H 2.57 0.02 1 916 112 112 GLN HG3 H 2.57 0.02 1 917 112 112 GLN CA C 59.08 0.3 1 918 112 112 GLN CB C 28.26 0.3 1 919 112 112 GLN CG C 33.88 0.3 1 920 112 112 GLN N N 121.26 0.15 1 921 113 113 LEU H H 8.15 0.02 1 922 113 113 LEU HA H 3.94 0.02 1 923 113 113 LEU HB2 H 2.02 0.02 1 924 113 113 LEU HB3 H 2.02 0.02 1 925 113 113 LEU HG H 1.23 0.02 1 926 113 113 LEU HD1 H 0.65 0.02 1 927 113 113 LEU HD2 H 0.65 0.02 1 928 113 113 LEU CA C 57.8 0.3 1 929 113 113 LEU CB C 42.2 0.3 1 930 113 113 LEU CG C 26 0.3 1 931 113 113 LEU CD1 C 22.69 0.3 1 932 113 113 LEU CD2 C 22.69 0.3 1 933 113 113 LEU N N 118.78 0.15 1 934 114 114 GLN H H 8.05 0.02 1 935 114 114 GLN HA H 4.03 0.02 1 936 114 114 GLN HB2 H 2.15 0.02 1 937 114 114 GLN HB3 H 2.15 0.02 1 938 114 114 GLN HG2 H 2.35 0.02 1 939 114 114 GLN HG3 H 2.29 0.02 1 940 114 114 GLN CA C 59.68 0.3 1 941 114 114 GLN CB C 30.09 0.3 1 942 114 114 GLN CG C 34.36 0.3 1 943 114 114 GLN N N 118.23 0.15 1 944 115 115 ASN H H 7.98 0.02 1 945 115 115 ASN HA H 4.39 0.02 1 946 115 115 ASN HB2 H 2.75 0.02 1 947 115 115 ASN HB3 H 2.75 0.02 1 948 115 115 ASN CA C 55.88 0.3 1 949 115 115 ASN CB C 39.09 0.3 1 950 115 115 ASN N N 116.3 0.15 1 951 116 116 ARG H H 8.31 0.02 1 952 116 116 ARG HA H 3.96 0.02 1 953 116 116 ARG HB2 H 1.3 0.02 1 954 116 116 ARG HB3 H 1.3 0.02 1 955 116 116 ARG HG2 H 1.03 0.02 2 956 116 116 ARG HG3 H 0.88 0.02 2 957 116 116 ARG HD2 H 2.92 0.02 2 958 116 116 ARG HD3 H 2.75 0.02 2 959 116 116 ARG CA C 58.25 0.3 1 960 116 116 ARG CB C 30.83 0.3 1 961 116 116 ARG CG C 27.45 0.3 1 962 116 116 ARG CD C 43.43 0.3 1 963 116 116 ARG N N 117.77 0.15 1 964 117 117 TYR H H 7.52 0.02 1 965 117 117 TYR HA H 4.85 0.02 1 966 117 117 TYR HB2 H 3.4 0.02 2 967 117 117 TYR HB3 H 2.7 0.02 2 968 117 117 TYR CA C 57.17 0.3 1 969 117 117 TYR CB C 40.16 0.3 1 970 117 117 TYR N N 112.25 0.15 1 971 118 118 GLY H H 7.79 0.02 1 972 118 118 GLY HA2 H 3.99 0.02 1 973 118 118 GLY HA3 H 3.99 0.02 1 974 118 118 GLY CA C 46.79 0.3 1 975 118 118 GLY N N 108.72 0.15 1 976 119 119 ILE H H 6.65 0.02 1 977 119 119 ILE HA H 4.22 0.02 1 978 119 119 ILE HB H 1.85 0.02 1 979 119 119 ILE HG12 H 1.05 0.02 1 980 119 119 ILE HG13 H 1.05 0.02 1 981 119 119 ILE HG2 H 0.9 0.02 1 982 119 119 ILE HD1 H 0.7 0.02 1 983 119 119 ILE CA C 60.11 0.3 1 984 119 119 ILE CB C 39.14 0.3 1 985 119 119 ILE CG1 C 26.28 0.3 1 986 119 119 ILE CG2 C 17.57 0.3 1 987 119 119 ILE CD1 C 13.58 0.3 1 988 119 119 ILE N N 113.17 0.15 1 989 120 120 ASP H H 8.34 0.02 1 990 120 120 ASP HA H 4.49 0.02 1 991 120 120 ASP HB2 H 2.93 0.02 2 992 120 120 ASP HB3 H 2.66 0.02 2 993 120 120 ASP CA C 54.06 0.3 1 994 120 120 ASP CB C 42.46 0.3 1 995 120 120 ASP N N 121.89 0.15 1 996 121 121 LYS H H 8.42 0.02 1 997 121 121 LYS HA H 3.68 0.02 1 998 121 121 LYS HB2 H 1.85 0.02 1 999 121 121 LYS HB3 H 1.85 0.02 1 1000 121 121 LYS HG2 H 1.33 0.02 1 1001 121 121 LYS HG3 H 1.33 0.02 1 1002 121 121 LYS HD2 H 1.7 0.02 1 1003 121 121 LYS HD3 H 1.7 0.02 1 1004 121 121 LYS HE2 H 2.98 0.02 1 1005 121 121 LYS HE3 H 2.98 0.02 1 1006 121 121 LYS CA C 60.2 0.3 1 1007 121 121 LYS CB C 33.06 0.3 1 1008 121 121 LYS CG C 24.38 0.3 1 1009 121 121 LYS CD C 29.52 0.3 1 1010 121 121 LYS CE C 42.05 0.3 1 1011 121 121 LYS N N 121.35 0.15 1 1012 122 122 GLN H H 8.29 0.02 1 1013 122 122 GLN HA H 4.12 0.02 1 1014 122 122 GLN HB2 H 2.12 0.02 1 1015 122 122 GLN HB3 H 2.12 0.02 1 1016 122 122 GLN HG2 H 2.4 0.02 1 1017 122 122 GLN HG3 H 2.4 0.02 1 1018 122 122 GLN CA C 59.25 0.3 1 1019 122 122 GLN CB C 28.32 0.3 1 1020 122 122 GLN CG C 34.46 0.3 1 1021 122 122 GLN N N 117.66 0.15 1 1022 123 123 GLN H H 8.03 0.02 1 1023 123 123 GLN HA H 4.02 0.02 1 1024 123 123 GLN HB2 H 2.29 0.02 1 1025 123 123 GLN HB3 H 2.29 0.02 1 1026 123 123 GLN HG2 H 2.47 0.02 1 1027 123 123 GLN HG3 H 2.47 0.02 1 1028 123 123 GLN CA C 58.57 0.3 1 1029 123 123 GLN CB C 29.11 0.3 1 1030 123 123 GLN CG C 34.42 0.3 1 1031 123 123 GLN N N 119.12 0.15 1 1032 124 124 ALA H H 8.61 0.02 1 1033 124 124 ALA HA H 3.83 0.02 1 1034 124 124 ALA HB H 1.49 0.02 1 1035 124 124 ALA CA C 55.46 0.3 1 1036 124 124 ALA CB C 18.94 0.3 1 1037 124 124 ALA N N 121.01 0.15 1 1038 125 125 GLU H H 8.09 0.02 1 1039 125 125 GLU HA H 3.92 0.02 1 1040 125 125 GLU HB2 H 2.15 0.02 1 1041 125 125 GLU HB3 H 2.15 0.02 1 1042 125 125 GLU HG2 H 2.46 0.02 1 1043 125 125 GLU HG3 H 2.46 0.02 1 1044 125 125 GLU CA C 60.06 0.3 1 1045 125 125 GLU CB C 29.56 0.3 1 1046 125 125 GLU CG C 36.75 0.3 1 1047 125 125 GLU N N 117.23 0.15 1 1048 126 126 ILE H H 7.59 0.02 1 1049 126 126 ILE HA H 4.22 0.02 1 1050 126 126 ILE HB H 1.62 0.02 1 1051 126 126 ILE HG12 H 1.26 0.02 2 1052 126 126 ILE HG13 H 0.9 0.02 2 1053 126 126 ILE CA C 64.9 0.3 1 1054 126 126 ILE CB C 38.31 0.3 1 1055 126 126 ILE CG2 C 17.4 0.3 1 1056 126 126 ILE CD1 C 13.36 0.3 1 1057 126 126 ILE N N 119.17 0.15 1 1058 127 127 LEU H H 8.26 0.02 1 1059 127 127 LEU HA H 3.97 0.02 1 1060 127 127 LEU HB2 H 1.76 0.02 1 1061 127 127 LEU HB3 H 1.76 0.02 1 1062 127 127 LEU HG H 1.37 0.02 1 1063 127 127 LEU HD1 H 0.82 0.02 1 1064 127 127 LEU HD2 H 0.82 0.02 1 1065 127 127 LEU CA C 57.81 0.3 1 1066 127 127 LEU CB C 42.57 0.3 1 1067 127 127 LEU CG C 27.1 0.3 1 1068 127 127 LEU CD1 C 25.38 0.3 2 1069 127 127 LEU CD2 C 24.44 0.3 2 1070 127 127 LEU N N 120.4 0.15 1 1071 128 128 ALA H H 8.5 0.02 1 1072 128 128 ALA HA H 4.04 0.02 1 1073 128 128 ALA HB H 1.62 0.02 1 1074 128 128 ALA CA C 55.78 0.3 1 1075 128 128 ALA CB C 19.88 0.3 1 1076 128 128 ALA N N 120.35 0.15 1 1077 129 129 VAL H H 8.05 0.02 1 1078 129 129 VAL HA H 3.66 0.02 1 1079 129 129 VAL HB H 2.13 0.02 1 1080 129 129 VAL HG1 H 1.15 0.02 1 1081 129 129 VAL HG2 H 1.15 0.02 1 1082 129 129 VAL CA C 66.43 0.3 1 1083 129 129 VAL CB C 32.08 0.3 1 1084 129 129 VAL CG1 C 23.31 0.3 1 1085 129 129 VAL CG2 C 23.31 0.3 1 1086 129 129 VAL N N 116.29 0.15 1 1087 130 130 ALA H H 7.92 0.02 1 1088 130 130 ALA HA H 4.14 0.02 1 1089 130 130 ALA HB H 1.46 0.02 1 1090 130 130 ALA CA C 54.82 0.3 1 1091 130 130 ALA CB C 18.4 0.3 1 1092 130 130 ALA N N 123.06 0.15 1 1093 131 131 ALA H H 8.7 0.02 1 1094 131 131 ALA HA H 3.93 0.02 1 1095 131 131 ALA HB H 1.43 0.02 1 1096 131 131 ALA CA C 55.14 0.3 1 1097 131 131 ALA CB C 18.88 0.3 1 1098 131 131 ALA N N 120.08 0.15 1 1099 132 132 LEU H H 8.27 0.02 1 1100 132 132 LEU HA H 4.01 0.02 1 1101 132 132 LEU HB2 H 1.81 0.02 2 1102 132 132 LEU HB3 H 1.65 0.02 2 1103 132 132 LEU HG H 1.55 0.02 1 1104 132 132 LEU HD1 H 0.71 0.02 1 1105 132 132 LEU HD2 H 0.71 0.02 1 1106 132 132 LEU CA C 57.26 0.3 1 1107 132 132 LEU CB C 41.13 0.3 1 1108 132 132 LEU CG C 27.83 0.3 1 1109 132 132 LEU CD1 C 24.84 0.3 2 1110 132 132 LEU CD2 C 23.91 0.3 2 1111 132 132 LEU N N 116.17 0.15 1 1112 133 133 GLY H H 8.15 0.02 1 1113 133 133 GLY HA2 H 3.88 0.02 1 1114 133 133 GLY HA3 H 3.88 0.02 1 1115 133 133 GLY CA C 46.65 0.3 1 1116 133 133 GLY N N 107.55 0.15 1 1117 134 134 ALA H H 7.65 0.02 1 1118 134 134 ALA HA H 4.25 0.02 1 1119 134 134 ALA HB H 1.45 0.02 1 1120 134 134 ALA CA C 53.71 0.3 1 1121 134 134 ALA CB C 19.26 0.3 1 1122 134 134 ALA N N 122.32 0.15 1 1123 135 135 VAL H H 7.54 0.02 1 1124 135 135 VAL HA H 4.1 0.02 1 1125 135 135 VAL HB H 2.24 0.02 1 1126 135 135 VAL HG1 H 0.96 0.02 1 1127 135 135 VAL HG2 H 0.96 0.02 1 1128 135 135 VAL CA C 63.39 0.3 1 1129 135 135 VAL CB C 32.43 0.3 1 1130 135 135 VAL CG1 C 21.63 0.3 1 1131 135 135 VAL CG2 C 21.63 0.3 1 1132 135 135 VAL N N 112.99 0.15 1 1133 136 136 THR H H 7.94 0.02 1 1134 136 136 THR HA H 4.33 0.02 1 1135 136 136 THR HG2 H 1.25 0.02 1 1136 136 136 THR CA C 62.88 0.3 1 1137 136 136 THR CB C 69.95 0.3 1 1138 136 136 THR CG2 C 21.61 0.3 1 1139 136 136 THR N N 112.92 0.15 1 1140 137 137 GLY H H 8.13 0.02 1 1141 137 137 GLY HA2 H 4.01 0.02 1 1142 137 137 GLY HA3 H 4.01 0.02 1 1143 137 137 GLY CA C 45.88 0.3 1 1144 137 137 GLY N N 110.36 0.15 1 1145 138 138 GLY H H 8.2 0.02 1 1146 138 138 GLY HA2 H 3.96 0.02 1 1147 138 138 GLY HA3 H 3.96 0.02 1 1148 138 138 GLY CA C 45.52 0.3 1 1149 138 138 GLY N N 108.35 0.15 1 1150 139 139 MET H H 8.17 0.02 1 1151 139 139 MET HA H 4.47 0.02 1 1152 139 139 MET HB2 H 2.12 0.02 1 1153 139 139 MET HB3 H 2.12 0.02 1 1154 139 139 MET HG2 H 2.58 0.02 1 1155 139 139 MET HG3 H 2.58 0.02 1 1156 139 139 MET CA C 55.75 0.3 1 1157 139 139 MET CB C 32.98 0.3 1 1158 139 139 MET CG C 32.25 0.3 1 1159 139 139 MET N N 119.29 0.15 1 1160 140 140 GLY H H 8.4 0.02 1 1161 140 140 GLY CA C 45.51 0.3 1 1162 140 140 GLY N N 109.44 0.15 1 1163 141 141 LYS HA H 4.38 0.02 1 1164 141 141 LYS HB2 H 1.86 0.02 1 1165 141 141 LYS HB3 H 1.86 0.02 1 1166 141 141 LYS HG2 H 1.42 0.02 1 1167 141 141 LYS HG3 H 1.42 0.02 1 1168 141 141 LYS HD2 H 1.69 0.02 1 1169 141 141 LYS HD3 H 1.69 0.02 1 1170 141 141 LYS HE2 H 2.98 0.02 1 1171 141 141 LYS HE3 H 2.98 0.02 1 1172 141 141 LYS CA C 56.3 0.3 1 1173 141 141 LYS CB C 33.09 0.3 1 1174 141 141 LYS CG C 24.62 0.3 1 1175 141 141 LYS CD C 29.07 0.3 1 1176 141 141 LYS CE C 42.14 0.3 1 1177 142 142 SER H H 8.38 0.02 1 1178 142 142 SER HA H 4.47 0.02 1 1179 142 142 SER HB2 H 3.89 0.02 1 1180 142 142 SER HB3 H 3.89 0.02 1 1181 142 142 SER CA C 58.6 0.3 1 1182 142 142 SER CB C 63.9 0.3 1 1183 142 142 SER N N 116.76 0.15 1 1184 143 143 GLY H H 8.44 0.02 1 1185 143 143 GLY HA2 H 4.04 0.02 1 1186 143 143 GLY HA3 H 4.04 0.02 1 1187 143 143 GLY CA C 45.5 0.3 1 1188 143 143 GLY N N 110.76 0.15 1 1189 144 144 THR H H 8.07 0.02 1 1190 144 144 THR HA H 4.4 0.02 1 1191 144 144 THR HB H 4.25 0.02 1 1192 144 144 THR HG2 H 1.19 0.02 1 1193 144 144 THR CA C 61.88 0.3 1 1194 144 144 THR CB C 69.92 0.3 1 1195 144 144 THR CG2 C 21.57 0.3 1 1196 144 144 THR N N 113.26 0.15 1 1197 145 145 SER H H 8.37 0.02 1 1198 145 145 SER HA H 4.56 0.02 1 1199 145 145 SER HB2 H 3.88 0.02 1 1200 145 145 SER HB3 H 3.88 0.02 1 1201 145 145 SER CA C 58.39 0.3 1 1202 145 145 SER CB C 63.9 0.3 1 1203 145 145 SER N N 118.12 0.15 1 1204 146 146 THR H H 8.23 0.02 1 1205 146 146 THR HA H 4.36 0.02 1 1206 146 146 THR HB H 4.21 0.02 1 1207 146 146 THR HG2 H 1.19 0.02 1 1208 146 146 THR CA C 62.08 0.3 1 1209 146 146 THR CB C 69.67 0.3 1 1210 146 146 THR CG2 C 21.65 0.3 1 1211 146 146 THR N N 116.46 0.15 1 1212 147 147 VAL H H 8.12 0.02 1 1213 147 147 VAL HA H 4.17 0.02 1 1214 147 147 VAL HB H 2.08 0.02 1 1215 147 147 VAL HG1 H 0.92 0.02 1 1216 147 147 VAL HG2 H 0.92 0.02 1 1217 147 147 VAL CA C 62.54 0.3 1 1218 147 147 VAL CB C 32.73 0.3 1 1219 147 147 VAL CG1 C 20.96 0.3 1 1220 147 147 VAL CG2 C 20.96 0.3 1 1221 147 147 VAL N N 122.29 0.15 1 1222 148 148 THR H H 8.16 0.02 1 1223 148 148 THR HA H 4.31 0.02 1 1224 148 148 THR HB H 4.17 0.02 1 1225 148 148 THR HG2 H 1.18 0.02 1 1226 148 148 THR CA C 62.04 0.3 1 1227 148 148 THR CB C 69.7 0.3 1 1228 148 148 THR CG2 C 21.69 0.3 1 1229 148 148 THR N N 118.23 0.15 1 1230 149 149 LYS H H 8.26 0.02 1 1231 149 149 LYS HA H 4.28 0.02 1 1232 149 149 LYS HB2 H 2.22 0.02 1 1233 149 149 LYS HB3 H 2.22 0.02 1 1234 149 149 LYS HG2 H 1.68 0.02 1 1235 149 149 LYS HG3 H 1.68 0.02 1 1236 149 149 LYS HD2 H 1.76 0.02 1 1237 149 149 LYS HD3 H 1.76 0.02 1 1238 149 149 LYS HE2 H 2.96 0.02 1 1239 149 149 LYS HE3 H 2.96 0.02 1 1240 149 149 LYS CA C 56.47 0.3 1 1241 149 149 LYS CB C 33.12 0.3 1 1242 149 149 LYS CG C 24.64 0.3 1 1243 149 149 LYS CD C 29.1 0.3 1 1244 149 149 LYS CE C 42.06 0.3 1 1245 149 149 LYS N N 123.67 0.15 1 1246 150 150 ASN H H 8.42 0.02 1 1247 150 150 ASN HA H 4.65 0.02 1 1248 150 150 ASN HB2 H 2.77 0.02 1 1249 150 150 ASN HB3 H 2.77 0.02 1 1250 150 150 ASN CA C 53.44 0.3 1 1251 150 150 ASN CB C 38.75 0.3 1 1252 150 150 ASN N N 119.76 0.15 1 stop_ save_