data_27755 ####################### # 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 27755 _BMRB_flat_file_name bmr27755.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" 695 "13C chemical shifts" 418 "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' 27754 'CdiA-CT MHI813 Cys21Ser Cys27Ser 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 C49S C56S' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'CdiA-CT C49S C56S' $CdiA-CT_C49S_C56S 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 Cys49Ser Cys56Ser cytoplasm entry domain monomer' save_ ######################## # Monomeric polymers # ######################## save_CdiA-CT_C49S_C56S _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common CdiA-CT_C49S_C56S _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 CEVRGDCKQIVKEMEELSLK QQQEMIAVSATNPAASKEKF 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 SER 50 ALA 51 THR 52 ASN 53 PRO 54 ALA 55 ALA 56 SER 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_C49S_C56S '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_C49S_C56S '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 Cys49Ser Cys56Ser with cysteines oxidized as a disulfide' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $CdiA-CT_C49S_C56S 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 C49S C56S' _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 8.075 0.02 1 2 1 1 VAL HA H 4.12 0.02 1 3 1 1 VAL HB H 2.05 0.02 1 4 1 1 VAL HG1 H 0.921 0.02 1 5 1 1 VAL HG2 H 0.921 0.02 1 6 1 1 VAL CA C 62.454 0.3 1 7 1 1 VAL CB C 32.803 0.3 1 8 1 1 VAL CG1 C 21.026 0.3 1 9 1 1 VAL CG2 C 21.026 0.3 1 10 1 1 VAL N N 124.641 0.15 1 11 2 2 GLU H H 8.619 0.02 1 12 2 2 GLU HA H 4.266 0.02 1 13 2 2 GLU HB2 H 2.042 0.02 2 14 2 2 GLU HB3 H 1.915 0.02 2 15 2 2 GLU HG2 H 2.235 0.02 1 16 2 2 GLU HG3 H 2.235 0.02 1 17 2 2 GLU CA C 56.62 0.3 1 18 2 2 GLU CB C 30.163 0.3 1 19 2 2 GLU CG C 36.197 0.3 1 20 2 2 GLU N N 124.824 0.15 1 21 3 3 ASN H H 8.315 0.02 1 22 3 3 ASN HA H 4.622 0.02 1 23 3 3 ASN HB2 H 2.685 0.02 1 24 3 3 ASN HB3 H 2.685 0.02 1 25 3 3 ASN CA C 53.172 0.3 1 26 3 3 ASN CB C 38.957 0.3 1 27 3 3 ASN N N 119.459 0.15 1 28 4 4 ASN H H 8.126 0.02 1 29 4 4 ASN HA H 4.549 0.02 1 30 4 4 ASN HB2 H 2.585 0.02 1 31 4 4 ASN HB3 H 2.585 0.02 1 32 4 4 ASN CA C 53.668 0.3 1 33 4 4 ASN CB C 38.92 0.3 1 34 4 4 ASN N N 117.94 0.15 1 35 5 5 PHE H H 8.25 0.02 1 36 5 5 PHE HA H 4.489 0.02 1 37 5 5 PHE HB2 H 3.313 0.02 1 38 5 5 PHE HB3 H 3.112 0.02 1 39 5 5 PHE CA C 58.289 0.3 1 40 5 5 PHE CB C 38.604 0.3 1 41 5 5 PHE N N 118.451 0.15 1 42 6 6 LEU H H 7.636 0.02 1 43 6 6 LEU HA H 4.629 0.02 1 44 6 6 LEU HB2 H 1.739 0.02 1 45 6 6 LEU HB3 H 1.729 0.02 1 46 6 6 LEU HG H 1.604 0.02 1 47 6 6 LEU HD1 H 0.863 0.02 2 48 6 6 LEU HD2 H 0.85 0.02 2 49 6 6 LEU CA C 54.031 0.3 1 50 6 6 LEU CB C 43.95 0.3 1 51 6 6 LEU CG C 26.378 0.3 1 52 6 6 LEU CD1 C 23.311 0.3 1 53 6 6 LEU CD2 C 23.311 0.3 1 54 6 6 LEU N N 119.581 0.15 1 55 7 7 THR H H 8.836 0.02 1 56 7 7 THR HA H 4.651 0.02 1 57 7 7 THR HB H 4.435 0.02 1 58 7 7 THR HG2 H 1.286 0.02 1 59 7 7 THR CA C 60.733 0.3 1 60 7 7 THR CB C 70.693 0.3 1 61 7 7 THR CG2 C 21.807 0.3 1 62 7 7 THR N N 112.834 0.15 1 63 8 8 ALA H H 8.822 0.02 1 64 8 8 ALA HA H 4.067 0.02 1 65 8 8 ALA HB H 1.477 0.02 1 66 8 8 ALA CA C 55.45 0.3 1 67 8 8 ALA CB C 18.302 0.3 1 68 8 8 ALA N N 123.768 0.15 1 69 9 9 ASP H H 8.309 0.02 1 70 9 9 ASP HA H 4.434 0.02 1 71 9 9 ASP HB2 H 2.646 0.02 1 72 9 9 ASP HB3 H 2.573 0.02 1 73 9 9 ASP CA C 56.665 0.3 1 74 9 9 ASP CB C 40.604 0.3 1 75 9 9 ASP N N 115.578 0.15 1 76 10 10 GLN H H 7.779 0.02 1 77 10 10 GLN HA H 4.092 0.02 1 78 10 10 GLN HB2 H 1.858 0.02 1 79 10 10 GLN HB3 H 1.858 0.02 1 80 10 10 GLN HG2 H 2.498 0.02 1 81 10 10 GLN HG3 H 2.444 0.02 1 82 10 10 GLN CA C 58.407 0.3 1 83 10 10 GLN CB C 28.868 0.3 1 84 10 10 GLN CG C 34.567 0.3 1 85 10 10 GLN N N 120.783 0.15 1 86 11 11 ILE H H 8.511 0.02 1 87 11 11 ILE HA H 3.755 0.02 1 88 11 11 ILE HB H 2.427 0.02 1 89 11 11 ILE HG12 H 1.995 0.02 1 90 11 11 ILE HG13 H 1.995 0.02 1 91 11 11 ILE HG2 H 0.941 0.02 1 92 11 11 ILE HD1 H 0.816 0.02 1 93 11 11 ILE CA C 65.431 0.3 1 94 11 11 ILE CB C 37.895 0.3 1 95 11 11 ILE CG1 C 29.255 0.3 1 96 11 11 ILE CG2 C 17.085 0.3 1 97 11 11 ILE CD1 C 12.984 0.3 1 98 11 11 ILE N N 121.632 0.15 1 99 12 12 ASP H H 8.21 0.02 1 100 12 12 ASP HA H 4.501 0.02 1 101 12 12 ASP HB2 H 2.702 0.02 1 102 12 12 ASP HB3 H 2.702 0.02 1 103 12 12 ASP CA C 57.133 0.3 1 104 12 12 ASP CB C 40.607 0.3 1 105 12 12 ASP N N 120.65 0.15 1 106 13 13 SER H H 8.114 0.02 1 107 13 13 SER HA H 4.259 0.02 1 108 13 13 SER HB2 H 3.866 0.02 1 109 13 13 SER HB3 H 3.866 0.02 1 110 13 13 SER CA C 61.376 0.3 1 111 13 13 SER CB C 62.717 0.3 1 112 13 13 SER N N 116.699 0.15 1 113 14 14 PHE H H 8.479 0.02 1 114 14 14 PHE HA H 3.884 0.02 1 115 14 14 PHE HB2 H 3.237 0.02 1 116 14 14 PHE HB3 H 3.086 0.02 1 117 14 14 PHE CA C 62.51 0.3 1 118 14 14 PHE CB C 38.736 0.3 1 119 14 14 PHE N N 121.204 0.15 1 120 15 15 ALA H H 8.405 0.02 1 121 15 15 ALA HA H 4.108 0.02 1 122 15 15 ALA HB H 1.546 0.02 1 123 15 15 ALA CA C 55.088 0.3 1 124 15 15 ALA CB C 17.815 0.3 1 125 15 15 ALA N N 123.373 0.15 1 126 16 16 ALA H H 7.762 0.02 1 127 16 16 ALA HA H 4.165 0.02 1 128 16 16 ALA HB H 1.511 0.02 1 129 16 16 ALA CA C 54.704 0.3 1 130 16 16 ALA CB C 18.088 0.3 1 131 16 16 ALA N N 119.829 0.15 1 132 17 17 LYS H H 7.89 0.02 1 133 17 17 LYS HA H 4.071 0.02 1 134 17 17 LYS HB2 H 1.902 0.02 1 135 17 17 LYS HB3 H 1.902 0.02 1 136 17 17 LYS HG2 H 0.953 0.02 1 137 17 17 LYS HG3 H 0.953 0.02 1 138 17 17 LYS HD2 H 1.544 0.02 1 139 17 17 LYS HD3 H 1.544 0.02 1 140 17 17 LYS HE2 H 2.842 0.02 1 141 17 17 LYS HE3 H 2.842 0.02 1 142 17 17 LYS CA C 58.699 0.3 1 143 17 17 LYS CB C 33.175 0.3 1 144 17 17 LYS CG C 25.468 0.3 1 145 17 17 LYS CD C 29.835 0.3 1 146 17 17 LYS CE C 41.922 0.3 1 147 17 17 LYS N N 119.049 0.15 1 148 18 18 ALA H H 8.226 0.02 1 149 18 18 ALA HA H 3.871 0.02 1 150 18 18 ALA HB H 1.49 0.02 1 151 18 18 ALA CA C 53.705 0.3 1 152 18 18 ALA CB C 18.739 0.3 1 153 18 18 ALA N N 118.559 0.15 1 154 19 19 LYS H H 7.323 0.02 1 155 19 19 LYS HB2 H 1.912 0.02 1 156 19 19 LYS HB3 H 1.912 0.02 1 157 19 19 LYS HG2 H 1.488 0.02 1 158 19 19 LYS HG3 H 1.488 0.02 1 159 19 19 LYS HD2 H 1.721 0.02 1 160 19 19 LYS HD3 H 1.721 0.02 1 161 19 19 LYS HE2 H 2.997 0.02 1 162 19 19 LYS HE3 H 2.997 0.02 1 163 19 19 LYS CA C 58.285 0.3 1 164 19 19 LYS CB C 31.693 0.3 1 165 19 19 LYS CG C 24.656 0.3 1 166 19 19 LYS CE C 42.171 0.3 1 167 19 19 LYS N N 120.676 0.15 1 168 20 20 GLY H H 9.294 0.02 1 169 20 20 GLY HA2 H 4.183 0.02 1 170 20 20 GLY HA3 H 4.066 0.02 1 171 20 20 GLY CA C 45.952 0.3 1 172 20 20 GLY N N 114.489 0.15 1 173 21 21 CYS H H 8.503 0.02 1 174 21 21 CYS CA C 58.627 0.3 1 175 21 21 CYS CB C 41.108 0.3 1 176 21 21 CYS N N 119.74 0.15 1 177 22 22 GLU HA H 4.209 0.02 1 178 22 22 GLU HB2 H 2.132 0.02 1 179 22 22 GLU HB3 H 2.132 0.02 1 180 22 22 GLU HG2 H 2.471 0.02 1 181 22 22 GLU HG3 H 2.471 0.02 1 182 22 22 GLU CA C 60.331 0.3 1 183 22 22 GLU CB C 28.071 0.3 1 184 22 22 GLU CG C 36.291 0.3 1 185 23 23 VAL H H 7.482 0.02 1 186 23 23 VAL HA H 3.926 0.02 1 187 23 23 VAL HB H 2.161 0.02 1 188 23 23 VAL HG1 H 1.007 0.02 1 189 23 23 VAL HG2 H 1.007 0.02 1 190 23 23 VAL CA C 64.57 0.3 1 191 23 23 VAL CB C 32.165 0.3 1 192 23 23 VAL CG1 C 21.902 0.3 1 193 23 23 VAL CG2 C 21.236 0.3 1 194 23 23 VAL N N 119.484 0.15 1 195 24 24 ARG H H 7.309 0.02 1 196 24 24 ARG HA H 4.196 0.02 1 197 24 24 ARG HB2 H 1.949 0.02 2 198 24 24 ARG HB3 H 1.782 0.02 2 199 24 24 ARG HG2 H 1.411 0.02 1 200 24 24 ARG HG3 H 1.411 0.02 1 201 24 24 ARG HD2 H 3.473 0.02 1 202 24 24 ARG HD3 H 3.091 0.02 1 203 24 24 ARG CA C 58.198 0.3 1 204 24 24 ARG CB C 31.607 0.3 1 205 24 24 ARG CG C 27.755 0.3 1 206 24 24 ARG CD C 43.222 0.3 1 207 24 24 ARG N N 117.212 0.15 1 208 25 25 GLY H H 8.318 0.02 1 209 25 25 GLY HA2 H 4.004 0.02 1 210 25 25 GLY HA3 H 4.004 0.02 1 211 25 25 GLY CA C 45.685 0.3 1 212 25 25 GLY N N 105.98 0.15 1 213 26 26 ASP H H 8.205 0.02 1 214 26 26 ASP HA H 5.122 0.02 1 215 26 26 ASP HB2 H 3.18 0.02 1 216 26 26 ASP HB3 H 2.374 0.02 1 217 26 26 ASP CA C 52.752 0.3 1 218 26 26 ASP CB C 41.119 0.3 1 219 26 26 ASP N N 117.566 0.15 1 220 27 27 CYS H H 8.097 0.02 1 221 27 27 CYS HA H 4.333 0.02 1 222 27 27 CYS HB2 H 3.273 0.02 1 223 27 27 CYS HB3 H 2.85 0.02 1 224 27 27 CYS CA C 57.844 0.3 1 225 27 27 CYS CB C 39.456 0.3 1 226 27 27 CYS N N 116.971 0.15 1 227 28 28 LYS H H 8.698 0.02 1 228 28 28 LYS HA H 4.014 0.02 1 229 28 28 LYS HB2 H 1.815 0.02 1 230 28 28 LYS HB3 H 1.815 0.02 1 231 28 28 LYS HG2 H 1.537 0.02 2 232 28 28 LYS HG3 H 1.395 0.02 2 233 28 28 LYS HD2 H 1.678 0.02 1 234 28 28 LYS HD3 H 1.678 0.02 1 235 28 28 LYS HE2 H 2.986 0.02 1 236 28 28 LYS HE3 H 2.986 0.02 1 237 28 28 LYS CA C 59.226 0.3 1 238 28 28 LYS CB C 31.786 0.3 1 239 28 28 LYS CG C 25.212 0.3 1 240 28 28 LYS CD C 29.111 0.3 1 241 28 28 LYS CE C 41.965 0.3 1 242 28 28 LYS N N 117.43 0.15 1 243 29 29 GLN H H 7.8 0.02 1 244 29 29 GLN HA H 4.07 0.02 1 245 29 29 GLN HB2 H 2.209 0.02 1 246 29 29 GLN HB3 H 2.209 0.02 1 247 29 29 GLN HG2 H 2.461 0.02 1 248 29 29 GLN HG3 H 2.461 0.02 1 249 29 29 GLN CA C 58.526 0.3 1 250 29 29 GLN CB C 28.23 0.3 1 251 29 29 GLN CG C 33.799 0.3 1 252 29 29 GLN N N 120.467 0.15 1 253 30 30 ILE H H 7.747 0.02 1 254 30 30 ILE HA H 3.917 0.02 1 255 30 30 ILE HB H 2.01 0.02 1 256 30 30 ILE HG12 H 1.015 0.02 1 257 30 30 ILE HG13 H 1.015 0.02 1 258 30 30 ILE HG2 H 0.765 0.02 1 259 30 30 ILE HD1 H 0.765 0.02 1 260 30 30 ILE CA C 64.502 0.3 1 261 30 30 ILE CB C 38.048 0.3 1 262 30 30 ILE CG1 C 28.854 0.3 1 263 30 30 ILE CG2 C 17.914 0.3 1 264 30 30 ILE CD1 C 13.856 0.3 1 265 30 30 ILE N N 120.929 0.15 1 266 31 31 VAL H H 7.736 0.02 1 267 31 31 VAL HA H 3.594 0.02 1 268 31 31 VAL HB H 2.07 0.02 1 269 31 31 VAL HG1 H 1.043 0.02 1 270 31 31 VAL HG2 H 0.92 0.02 1 271 31 31 VAL CA C 66.544 0.3 1 272 31 31 VAL CB C 31.799 0.3 1 273 31 31 VAL CG1 C 22.679 0.3 1 274 31 31 VAL CG2 C 21.36 0.3 1 275 31 31 VAL N N 119.857 0.15 1 276 32 32 LYS H H 7.811 0.02 1 277 32 32 LYS HA H 4.128 0.02 1 278 32 32 LYS HB2 H 1.921 0.02 1 279 32 32 LYS HB3 H 1.921 0.02 1 280 32 32 LYS HG2 H 1.461 0.02 1 281 32 32 LYS HG3 H 1.461 0.02 1 282 32 32 LYS HD2 H 1.69 0.02 1 283 32 32 LYS HD3 H 1.69 0.02 1 284 32 32 LYS HE2 H 2.98 0.02 1 285 32 32 LYS HE3 H 2.98 0.02 1 286 32 32 LYS CA C 58.864 0.3 1 287 32 32 LYS CB C 32.079 0.3 1 288 32 32 LYS CG C 24.514 0.3 1 289 32 32 LYS CD C 29.049 0.3 1 290 32 32 LYS CE C 42.045 0.3 1 291 32 32 LYS N N 120.449 0.15 1 292 33 33 GLU H H 8.053 0.02 1 293 33 33 GLU HA H 4.056 0.02 1 294 33 33 GLU HB2 H 2.289 0.02 1 295 33 33 GLU HB3 H 2.289 0.02 1 296 33 33 GLU HG2 H 2.584 0.02 1 297 33 33 GLU HG3 H 2.584 0.02 1 298 33 33 GLU CA C 59.37 0.3 1 299 33 33 GLU CB C 29.797 0.3 1 300 33 33 GLU CG C 36.583 0.3 1 301 33 33 GLU N N 119.994 0.15 1 302 34 34 MET H H 7.996 0.02 1 303 34 34 MET HA H 3.508 0.02 1 304 34 34 MET HB2 H 2.009 0.02 1 305 34 34 MET HB3 H 2.009 0.02 1 306 34 34 MET HG2 H 2.264 0.02 1 307 34 34 MET HG3 H 2.264 0.02 1 308 34 34 MET HE H 1.466 0.02 1 309 34 34 MET CA C 59.159 0.3 1 310 34 34 MET CB C 32.901 0.3 1 311 34 34 MET CG C 31.393 0.3 1 312 34 34 MET N N 119.922 0.15 1 313 35 35 GLU H H 8.371 0.02 1 314 35 35 GLU HA H 3.975 0.02 1 315 35 35 GLU HB2 H 2.186 0.02 1 316 35 35 GLU HB3 H 2.186 0.02 1 317 35 35 GLU HG2 H 2.462 0.02 1 318 35 35 GLU HG3 H 2.462 0.02 1 319 35 35 GLU CA C 59.34 0.3 1 320 35 35 GLU CB C 29.743 0.3 1 321 35 35 GLU CG C 36.553 0.3 1 322 35 35 GLU N N 120.675 0.15 1 323 36 36 GLU H H 8.412 0.02 1 324 36 36 GLU HA H 4.03 0.02 1 325 36 36 GLU HB2 H 2.266 0.02 1 326 36 36 GLU HB3 H 2.266 0.02 1 327 36 36 GLU HG2 H 2.506 0.02 1 328 36 36 GLU HG3 H 2.506 0.02 1 329 36 36 GLU CA C 59.349 0.3 1 330 36 36 GLU CB C 29.574 0.3 1 331 36 36 GLU CG C 36.757 0.3 1 332 36 36 GLU N N 119.496 0.15 1 333 37 37 LEU H H 7.992 0.02 1 334 37 37 LEU HA H 4.274 0.02 1 335 37 37 LEU HB2 H 1.786 0.02 1 336 37 37 LEU HB3 H 1.785 0.02 1 337 37 37 LEU HG H 1.621 0.02 1 338 37 37 LEU HD1 H 1.021 0.02 1 339 37 37 LEU HD2 H 1.021 0.02 1 340 37 37 LEU CA C 57.521 0.3 1 341 37 37 LEU CB C 41.931 0.3 1 342 37 37 LEU CG C 26.877 0.3 1 343 37 37 LEU CD1 C 25.21 0.3 1 344 37 37 LEU CD2 C 23.62 0.3 1 345 37 37 LEU N N 121.883 0.15 1 346 38 38 SER H H 8.211 0.02 1 347 38 38 SER HA H 4.109 0.02 1 348 38 38 SER HB2 H 3.944 0.02 1 349 38 38 SER HB3 H 3.944 0.02 1 350 38 38 SER CA C 61.573 0.3 1 351 38 38 SER CB C 63.5 0.3 1 352 38 38 SER N N 114.367 0.15 1 353 39 39 LEU H H 7.978 0.02 1 354 39 39 LEU HA H 4.125 0.02 1 355 39 39 LEU HB2 H 1.757 0.02 1 356 39 39 LEU HB3 H 1.757 0.02 1 357 39 39 LEU HG H 1.688 0.02 1 358 39 39 LEU HD1 H 0.898 0.02 1 359 39 39 LEU HD2 H 0.898 0.02 1 360 39 39 LEU CA C 57.699 0.3 1 361 39 39 LEU CB C 41.929 0.3 1 362 39 39 LEU CG C 26.965 0.3 1 363 39 39 LEU CD1 C 24.277 0.3 1 364 39 39 LEU CD2 C 24.277 0.3 1 365 39 39 LEU N N 120.404 0.15 1 366 40 40 LYS H H 7.94 0.02 1 367 40 40 LYS HA H 4.079 0.02 1 368 40 40 LYS HB2 H 2.004 0.02 1 369 40 40 LYS HB3 H 2.004 0.02 1 370 40 40 LYS HG2 H 1.442 0.02 1 371 40 40 LYS HG3 H 1.442 0.02 1 372 40 40 LYS HD2 H 1.569 0.02 1 373 40 40 LYS HD3 H 1.569 0.02 1 374 40 40 LYS HE2 H 2.999 0.02 1 375 40 40 LYS HE3 H 2.999 0.02 1 376 40 40 LYS CA C 59.12 0.3 1 377 40 40 LYS CB C 32.77 0.3 1 378 40 40 LYS CG C 24.838 0.3 1 379 40 40 LYS CD C 29.625 0.3 1 380 40 40 LYS CE C 42.091 0.3 1 381 40 40 LYS N N 120.022 0.15 1 382 41 41 GLN H H 8.32 0.02 1 383 41 41 GLN HA H 4.175 0.02 1 384 41 41 GLN HB2 H 1.983 0.02 1 385 41 41 GLN HB3 H 1.983 0.02 1 386 41 41 GLN HG2 H 2.423 0.02 1 387 41 41 GLN HG3 H 2.423 0.02 1 388 41 41 GLN CA C 58.582 0.3 1 389 41 41 GLN CB C 28.084 0.3 1 390 41 41 GLN CG C 36.264 0.3 1 391 41 41 GLN N N 117.972 0.15 1 392 42 42 GLN H H 8.401 0.02 1 393 42 42 GLN HA H 3.583 0.02 1 394 42 42 GLN HB2 H 1.847 0.02 1 395 42 42 GLN HB3 H 1.764 0.02 1 396 42 42 GLN HG2 H 2.015 0.02 1 397 42 42 GLN HG3 H 2.015 0.02 1 398 42 42 GLN CA C 58.679 0.3 1 399 42 42 GLN CB C 28.419 0.3 1 400 42 42 GLN CG C 33.345 0.3 1 401 42 42 GLN N N 121.33 0.15 1 402 43 43 GLN H H 7.962 0.02 1 403 43 43 GLN CA C 57.898 0.3 1 404 43 43 GLN CB C 28.53 0.3 1 405 43 43 GLN N N 117.529 0.15 1 406 44 44 GLU HA H 4.166 0.02 1 407 44 44 GLU HB2 H 2.093 0.02 1 408 44 44 GLU HB3 H 2.093 0.02 1 409 44 44 GLU HG2 H 2.436 0.02 2 410 44 44 GLU HG3 H 2.279 0.02 2 411 44 44 GLU CA C 58.053 0.3 1 412 44 44 GLU CB C 29.947 0.3 1 413 44 44 GLU CG C 36.374 0.3 1 414 45 45 MET H H 7.906 0.02 1 415 45 45 MET HA H 4.36 0.02 1 416 45 45 MET HB2 H 2.155 0.02 1 417 45 45 MET HB3 H 2.155 0.02 1 418 45 45 MET HG2 H 2.741 0.02 2 419 45 45 MET HG3 H 2.621 0.02 2 420 45 45 MET CA C 57.063 0.3 1 421 45 45 MET CB C 32.542 0.3 1 422 45 45 MET CG C 32.041 0.3 1 423 45 45 MET N N 118.789 0.15 1 424 46 46 ILE H H 7.912 0.02 1 425 46 46 ILE HA H 4.022 0.02 1 426 46 46 ILE HB H 1.901 0.02 1 427 46 46 ILE HG12 H 1.543 0.02 1 428 46 46 ILE HG13 H 1.543 0.02 1 429 46 46 ILE HG2 H 1.194 0.02 1 430 46 46 ILE HD1 H 0.904 0.02 1 431 46 46 ILE CA C 62.507 0.3 1 432 46 46 ILE CB C 38.464 0.3 1 433 46 46 ILE CG1 C 27.793 0.3 1 434 46 46 ILE CG2 C 17.371 0.3 1 435 46 46 ILE CD1 C 13.16 0.3 1 436 46 46 ILE N N 120.359 0.15 1 437 47 47 ALA H H 8.006 0.02 1 438 47 47 ALA HA H 4.31 0.02 1 439 47 47 ALA HB H 1.442 0.02 1 440 47 47 ALA CA C 53.322 0.3 1 441 47 47 ALA CB C 19.022 0.3 1 442 47 47 ALA N N 125.325 0.15 1 443 48 48 VAL H H 7.944 0.02 1 444 48 48 VAL HA H 4.115 0.02 1 445 48 48 VAL HB H 2.166 0.02 1 446 48 48 VAL HG1 H 0.999 0.02 1 447 48 48 VAL HG2 H 0.999 0.02 1 448 48 48 VAL CA C 62.972 0.3 1 449 48 48 VAL CB C 32.506 0.3 1 450 48 48 VAL CG1 C 21.055 0.3 1 451 48 48 VAL CG2 C 21.055 0.3 1 452 48 48 VAL N N 117.704 0.15 1 453 49 49 SER H H 8.137 0.02 1 454 49 49 SER HA H 4.439 0.02 1 455 49 49 SER HB2 H 3.918 0.02 1 456 49 49 SER HB3 H 3.918 0.02 1 457 49 49 SER CA C 58.794 0.3 1 458 49 49 SER CB C 63.825 0.3 1 459 49 49 SER N N 117.956 0.15 1 460 50 50 ALA H H 8.201 0.02 1 461 50 50 ALA HA H 4.391 0.02 1 462 50 50 ALA HB H 1.442 0.02 1 463 50 50 ALA CA C 52.955 0.3 1 464 50 50 ALA CB C 19.259 0.3 1 465 50 50 ALA N N 125.288 0.15 1 466 51 51 THR H H 7.966 0.02 1 467 51 51 THR HA H 4.296 0.02 1 468 51 51 THR HB H 4.213 0.02 1 469 51 51 THR HG2 H 1.199 0.02 1 470 51 51 THR CA C 61.938 0.3 1 471 51 51 THR CB C 69.815 0.3 1 472 51 51 THR CG2 C 21.652 0.3 1 473 51 51 THR N N 111.699 0.15 1 474 52 52 ASN H H 8.271 0.02 1 475 52 52 ASN CA C 51.236 0.3 1 476 52 52 ASN CB C 38.988 0.3 1 477 52 52 ASN N N 121.507 0.15 1 478 53 53 PRO HA H 4.406 0.02 1 479 53 53 PRO HB2 H 2.316 0.02 1 480 53 53 PRO HB3 H 2.316 0.02 1 481 53 53 PRO HG2 H 2.007 0.02 1 482 53 53 PRO HG3 H 2.007 0.02 1 483 53 53 PRO HD2 H 3.789 0.02 1 484 53 53 PRO HD3 H 3.789 0.02 1 485 53 53 PRO CA C 63.828 0.3 1 486 53 53 PRO CB C 32.076 0.3 1 487 53 53 PRO CG C 27.186 0.3 1 488 53 53 PRO CD C 50.68 0.3 1 489 54 54 ALA H H 8.173 0.02 1 490 54 54 ALA HA H 4.282 0.02 1 491 54 54 ALA HB H 1.394 0.02 1 492 54 54 ALA CA C 52.72 0.3 1 493 54 54 ALA CB C 18.921 0.3 1 494 54 54 ALA N N 122.383 0.15 1 495 55 55 ALA H H 7.989 0.02 1 496 55 55 ALA HA H 4.303 0.02 1 497 55 55 ALA HB H 1.419 0.02 1 498 55 55 ALA CA C 52.733 0.3 1 499 55 55 ALA CB C 19.241 0.3 1 500 55 55 ALA N N 122.337 0.15 1 501 56 56 SER H H 8.109 0.02 1 502 56 56 SER HA H 4.408 0.02 1 503 56 56 SER HB2 H 3.895 0.02 1 504 56 56 SER HB3 H 3.895 0.02 1 505 56 56 SER CA C 58.552 0.3 1 506 56 56 SER CB C 63.78 0.3 1 507 56 56 SER N N 114.532 0.15 1 508 57 57 LYS H H 8.277 0.02 1 509 57 57 LYS HA H 4.294 0.02 1 510 57 57 LYS HB2 H 1.851 0.02 1 511 57 57 LYS HB3 H 1.851 0.02 1 512 57 57 LYS HG2 H 1.445 0.02 1 513 57 57 LYS HG3 H 1.445 0.02 1 514 57 57 LYS HD2 H 1.694 0.02 1 515 57 57 LYS HD3 H 1.694 0.02 1 516 57 57 LYS HE2 H 2.995 0.02 1 517 57 57 LYS HE3 H 2.995 0.02 1 518 57 57 LYS CA C 56.722 0.3 1 519 57 57 LYS CB C 32.888 0.3 1 520 57 57 LYS CG C 24.636 0.3 1 521 57 57 LYS CD C 29.042 0.3 1 522 57 57 LYS CE C 42.085 0.3 1 523 57 57 LYS N N 123.044 0.15 1 524 58 58 GLU H H 8.285 0.02 1 525 58 58 GLU HA H 4.192 0.02 1 526 58 58 GLU HB2 H 1.918 0.02 1 527 58 58 GLU HB3 H 1.918 0.02 1 528 58 58 GLU HG2 H 2.214 0.02 1 529 58 58 GLU HG3 H 2.214 0.02 1 530 58 58 GLU CA C 56.933 0.3 1 531 58 58 GLU CB C 30.145 0.3 1 532 58 58 GLU CG C 36.202 0.3 1 533 58 58 GLU N N 121.063 0.15 1 534 59 59 LYS H H 8.164 0.02 1 535 59 59 LYS HA H 4.236 0.02 1 536 59 59 LYS HB2 H 1.676 0.02 1 537 59 59 LYS HB3 H 1.676 0.02 1 538 59 59 LYS HG2 H 1.277 0.02 1 539 59 59 LYS HG3 H 1.277 0.02 1 540 59 59 LYS HD2 H 1.632 0.02 1 541 59 59 LYS HD3 H 1.632 0.02 1 542 59 59 LYS HE2 H 2.944 0.02 1 543 59 59 LYS HE3 H 2.944 0.02 1 544 59 59 LYS CA C 56.353 0.3 1 545 59 59 LYS CB C 33.052 0.3 1 546 59 59 LYS CG C 24.53 0.3 1 547 59 59 LYS CD C 29.022 0.3 1 548 59 59 LYS CE C 41.919 0.3 1 549 59 59 LYS N N 121.443 0.15 1 550 60 60 PHE H H 8.234 0.02 1 551 60 60 PHE HA H 4.632 0.02 1 552 60 60 PHE HB2 H 3.191 0.02 1 553 60 60 PHE HB3 H 3.024 0.02 1 554 60 60 PHE CA C 57.896 0.3 1 555 60 60 PHE CB C 39.577 0.3 1 556 60 60 PHE N N 120.629 0.15 1 557 61 61 GLY H H 8.249 0.02 1 558 61 61 GLY HA2 H 3.927 0.02 1 559 61 61 GLY HA3 H 3.927 0.02 1 560 61 61 GLY CA C 45.435 0.3 1 561 61 61 GLY N N 109.805 0.15 1 562 62 62 ASP H H 8.178 0.02 1 563 62 62 ASP HA H 4.625 0.02 1 564 62 62 ASP HB2 H 2.687 0.02 1 565 62 62 ASP HB3 H 2.575 0.02 1 566 62 62 ASP CA C 54.247 0.3 1 567 62 62 ASP CB C 41.302 0.3 1 568 62 62 ASP N N 120.402 0.15 1 569 63 63 ILE H H 8.074 0.02 1 570 63 63 ILE CA C 59.655 0.3 1 571 63 63 ILE CB C 38.305 0.3 1 572 63 63 ILE N N 121.734 0.15 1 573 64 64 PRO HA H 4.38 0.02 1 574 64 64 PRO HB2 H 2.315 0.02 1 575 64 64 PRO HB3 H 2.315 0.02 1 576 64 64 PRO HG2 H 2.001 0.02 2 577 64 64 PRO HG3 H 1.92 0.02 2 578 64 64 PRO HD2 H 3.663 0.02 1 579 64 64 PRO HD3 H 3.663 0.02 1 580 64 64 PRO CA C 63.539 0.3 1 581 64 64 PRO CB C 32.001 0.3 1 582 64 64 PRO CG C 27.57 0.3 1 583 64 64 PRO CD C 50.877 0.3 1 584 65 65 ALA H H 8.284 0.02 1 585 65 65 ALA HA H 4.368 0.02 1 586 65 65 ALA HB H 1.439 0.02 1 587 65 65 ALA CA C 53.401 0.3 1 588 65 65 ALA CB C 18.981 0.3 1 589 65 65 ALA N N 123.561 0.15 1 590 66 66 LYS H H 8.439 0.02 1 591 66 66 LYS HA H 4.117 0.02 1 592 66 66 LYS HB2 H 1.829 0.02 1 593 66 66 LYS HB3 H 1.829 0.02 1 594 66 66 LYS HG2 H 1.575 0.02 2 595 66 66 LYS HG3 H 1.448 0.02 2 596 66 66 LYS HD2 H 1.679 0.02 1 597 66 66 LYS HD3 H 1.679 0.02 1 598 66 66 LYS HE2 H 2.99 0.02 1 599 66 66 LYS HE3 H 2.99 0.02 1 600 66 66 LYS CA C 58.477 0.3 1 601 66 66 LYS CB C 32.564 0.3 1 602 66 66 LYS CG C 25.366 0.3 1 603 66 66 LYS CD C 29.221 0.3 1 604 66 66 LYS CE C 41.872 0.3 1 605 66 66 LYS N N 119.199 0.15 1 606 67 67 GLY H H 8.43 0.02 1 607 67 67 GLY HA2 H 3.776 0.02 1 608 67 67 GLY HA3 H 3.776 0.02 1 609 67 67 GLY CA C 46.641 0.3 1 610 67 67 GLY N N 107.085 0.15 1 611 68 68 MET H H 7.881 0.02 1 612 68 68 MET HA H 4.241 0.02 1 613 68 68 MET HB2 H 1.899 0.02 1 614 68 68 MET HB3 H 1.899 0.02 1 615 68 68 MET HG2 H 2.233 0.02 1 616 68 68 MET HG3 H 2.233 0.02 1 617 68 68 MET CA C 56.824 0.3 1 618 68 68 MET CB C 29.877 0.3 1 619 68 68 MET CE C 19.133 0.3 1 620 68 68 MET N N 120.281 0.15 1 621 69 69 LEU H H 8.233 0.02 1 622 69 69 LEU CA C 53.09 0.3 1 623 69 69 LEU CB C 38.95 0.3 1 624 69 69 LEU N N 119.04 0.15 1 625 70 70 VAL HA H 4.012 0.02 1 626 70 70 VAL HB H 2.048 0.02 1 627 70 70 VAL HG1 H 0.915 0.02 1 628 70 70 VAL HG2 H 0.915 0.02 1 629 70 70 VAL CA C 62.565 0.3 1 630 70 70 VAL CB C 32.645 0.3 1 631 70 70 VAL CG1 C 20.867 0.3 1 632 70 70 VAL CG2 C 20.867 0.3 1 633 71 71 ARG H H 8.649 0.02 1 634 71 71 ARG HA H 4.011 0.02 1 635 71 71 ARG HB2 H 1.912 0.02 1 636 71 71 ARG HB3 H 1.912 0.02 1 637 71 71 ARG HG2 H 1.594 0.02 1 638 71 71 ARG HG3 H 1.594 0.02 1 639 71 71 ARG HD2 H 3.141 0.02 1 640 71 71 ARG HD3 H 3.141 0.02 1 641 71 71 ARG CA C 56.807 0.3 1 642 71 71 ARG CB C 29.872 0.3 1 643 71 71 ARG CG C 27.48 0.3 1 644 71 71 ARG CD C 42.591 0.3 1 645 71 71 ARG N N 123.51 0.15 1 646 72 72 GLU H H 7.981 0.02 1 647 72 72 GLU HA H 4.109 0.02 1 648 72 72 GLU HB2 H 2.275 0.02 1 649 72 72 GLU HB3 H 2.275 0.02 1 650 72 72 GLU HG2 H 2.435 0.02 1 651 72 72 GLU HG3 H 2.435 0.02 1 652 72 72 GLU CA C 59.11 0.3 1 653 72 72 GLU CB C 29.664 0.3 1 654 72 72 GLU CG C 36.516 0.3 1 655 72 72 GLU N N 118.235 0.15 1 656 73 73 ALA H H 7.666 0.02 1 657 73 73 ALA HA H 4.611 0.02 1 658 73 73 ALA HB H 1.437 0.02 1 659 73 73 ALA CA C 54.947 0.3 1 660 73 73 ALA CB C 18.524 0.3 1 661 73 73 ALA N N 121.961 0.15 1 662 74 74 ILE H H 8.182 0.02 1 663 74 74 ILE CA C 64.553 0.3 1 664 74 74 ILE CB C 37.599 0.3 1 665 74 74 ILE N N 117.184 0.15 1 666 75 75 ASP HA H 4.255 0.02 1 667 75 75 ASP HB2 H 2.807 0.02 1 668 75 75 ASP HB3 H 2.633 0.02 1 669 75 75 ASP CA C 57.452 0.3 1 670 75 75 ASP CB C 40.903 0.3 1 671 76 76 ARG H H 7.727 0.02 1 672 76 76 ARG HB2 H 1.968 0.02 2 673 76 76 ARG HB3 H 1.956 0.02 2 674 76 76 ARG HD2 H 3.23 0.02 1 675 76 76 ARG HD3 H 3.23 0.02 1 676 76 76 ARG CA C 58.514 0.3 1 677 76 76 ARG CB C 30.58 0.3 1 678 76 76 ARG CG C 27.66 0.3 1 679 76 76 ARG CD C 43.421 0.3 1 680 76 76 ARG N N 117.523 0.15 1 681 77 77 VAL H H 7.693 0.02 1 682 77 77 VAL CA C 64.15 0.3 1 683 77 77 VAL N N 115.977 0.15 1 684 78 78 LEU HA H 4.394 0.02 1 685 78 78 LEU HB2 H 1.763 0.02 1 686 78 78 LEU HB3 H 1.763 0.02 1 687 78 78 LEU HG H 1.435 0.02 1 688 78 78 LEU HD1 H 0.833 0.02 1 689 78 78 LEU HD2 H 0.833 0.02 1 690 78 78 LEU CA C 55.278 0.3 1 691 78 78 LEU CB C 42.578 0.3 1 692 78 78 LEU CG C 26.326 0.3 1 693 78 78 LEU CD1 C 22.761 0.3 1 694 78 78 LEU CD2 C 22.761 0.3 1 695 79 79 GLY H H 7.961 0.02 1 696 79 79 GLY HA2 H 4.063 0.02 1 697 79 79 GLY HA3 H 4.063 0.02 1 698 79 79 GLY CA C 45.699 0.3 1 699 79 79 GLY N N 107.194 0.15 1 700 80 80 THR H H 8.286 0.02 1 701 80 80 THR HA H 4.433 0.02 1 702 80 80 THR HB H 4.31 0.02 1 703 80 80 THR HG2 H 1.207 0.02 1 704 80 80 THR CA C 62.294 0.3 1 705 80 80 THR CB C 69.029 0.3 1 706 80 80 THR CG2 C 21.593 0.3 1 707 80 80 THR N N 111.732 0.15 1 708 81 81 ASP H H 8.524 0.02 1 709 81 81 ASP HA H 4.719 0.02 1 710 81 81 ASP HB2 H 2.727 0.02 1 711 81 81 ASP HB3 H 2.727 0.02 1 712 81 81 ASP CA C 55.113 0.3 1 713 81 81 ASP CB C 40.689 0.3 1 714 81 81 ASP N N 120.812 0.15 1 715 82 82 VAL H H 7.091 0.02 1 716 82 82 VAL CA C 59.119 0.3 1 717 82 82 VAL N N 118.449 0.15 1 718 87 87 LYS H H 8.517 0.02 1 719 87 87 LYS CB C 32.162 0.3 1 720 87 87 LYS N N 118.668 0.15 1 721 88 88 ASN H H 8.516 0.02 1 722 88 88 ASN HB2 H 2.877 0.02 1 723 88 88 ASN HB3 H 2.877 0.02 1 724 88 88 ASN CA C 55.84 0.3 1 725 88 88 ASN CB C 37.952 0.3 1 726 88 88 ASN N N 118.723 0.15 1 727 89 89 ASP H H 7.918 0.02 1 728 89 89 ASP HA H 4.44 0.02 1 729 89 89 ASP HB2 H 2.885 0.02 1 730 89 89 ASP HB3 H 2.885 0.02 1 731 89 89 ASP CA C 57.638 0.3 1 732 89 89 ASP CB C 41.919 0.3 1 733 89 89 ASP N N 122.252 0.15 1 734 90 90 MET H H 8.547 0.02 1 735 90 90 MET HA H 4.124 0.02 1 736 90 90 MET HB2 H 2.166 0.02 1 737 90 90 MET HB3 H 2.166 0.02 1 738 90 90 MET HG2 H 2.443 0.02 1 739 90 90 MET HG3 H 2.443 0.02 1 740 90 90 MET CA C 59.393 0.3 1 741 90 90 MET CB C 33.627 0.3 1 742 90 90 MET CG C 32.139 0.3 1 743 90 90 MET N N 118.712 0.15 1 744 91 91 SER H H 8.103 0.02 1 745 91 91 SER HA H 4.047 0.02 1 746 91 91 SER HB2 H 3.88 0.02 1 747 91 91 SER HB3 H 3.88 0.02 1 748 91 91 SER CA C 62.004 0.3 1 749 91 91 SER CB C 62.808 0.3 1 750 91 91 SER N N 114.303 0.15 1 751 92 92 SER H H 7.908 0.02 1 752 92 92 SER HA H 4.246 0.02 1 753 92 92 SER HB2 H 4.005 0.02 1 754 92 92 SER HB3 H 4.005 0.02 1 755 92 92 SER CA C 61.589 0.3 1 756 92 92 SER CB C 62.937 0.3 1 757 92 92 SER N N 117.72 0.15 1 758 93 93 LEU H H 8.075 0.02 1 759 93 93 LEU HA H 4.308 0.02 1 760 93 93 LEU HB2 H 1.859 0.02 1 761 93 93 LEU HB3 H 1.859 0.02 1 762 93 93 LEU CA C 58.09 0.3 1 763 93 93 LEU CB C 42.241 0.3 1 764 93 93 LEU CG C 27.337 0.3 1 765 93 93 LEU CD1 C 25.225 0.3 1 766 93 93 LEU CD2 C 23.908 0.3 1 767 93 93 LEU N N 123.296 0.15 1 768 94 94 LEU H H 8.168 0.02 1 769 94 94 LEU HA H 3.929 0.02 1 770 94 94 LEU HB2 H 1.611 0.02 1 771 94 94 LEU HB3 H 1.611 0.02 1 772 94 94 LEU HG H 1.48 0.02 1 773 94 94 LEU HD1 H 0.544 0.02 1 774 94 94 LEU HD2 H 0.544 0.02 1 775 94 94 LEU CA C 57.713 0.3 1 776 94 94 LEU CB C 41.484 0.3 1 777 94 94 LEU CG C 27.032 0.3 1 778 94 94 LEU CD1 C 24.202 0.3 1 779 94 94 LEU CD2 C 24.202 0.3 1 780 94 94 LEU N N 118.472 0.15 1 781 95 95 ALA H H 8.171 0.02 1 782 95 95 ALA HA H 3.948 0.02 1 783 95 95 ALA HB H 1.48 0.02 1 784 95 95 ALA CA C 55.428 0.3 1 785 95 95 ALA CB C 18.229 0.3 1 786 95 95 ALA N N 119.7 0.15 1 787 96 96 GLN H H 7.967 0.02 1 788 96 96 GLN HA H 4.038 0.02 1 789 96 96 GLN HB2 H 2.152 0.02 1 790 96 96 GLN HB3 H 2.152 0.02 1 791 96 96 GLN HG2 H 2.427 0.02 1 792 96 96 GLN HG3 H 2.427 0.02 1 793 96 96 GLN CA C 57.972 0.3 1 794 96 96 GLN CB C 28.582 0.3 1 795 96 96 GLN CG C 34.026 0.3 1 796 96 96 GLN N N 116.036 0.15 1 797 97 97 GLN H H 7.981 0.02 1 798 97 97 GLN HA H 4.138 0.02 1 799 97 97 GLN HB2 H 2.082 0.02 1 800 97 97 GLN HB3 H 2.082 0.02 1 801 97 97 GLN HG2 H 2.352 0.02 1 802 97 97 GLN HG3 H 2.352 0.02 1 803 97 97 GLN CA C 58.462 0.3 1 804 97 97 GLN CB C 29.012 0.3 1 805 97 97 GLN CG C 33.966 0.3 1 806 97 97 GLN N N 119.361 0.15 1 807 98 98 ILE H H 8.164 0.02 1 808 98 98 ILE HA H 3.871 0.02 1 809 98 98 ILE HG2 H 0.851 0.02 1 810 98 98 ILE HD1 H 0.708 0.02 1 811 98 98 ILE CA C 63.973 0.3 1 812 98 98 ILE CB C 38.047 0.3 1 813 98 98 ILE CG2 C 17.325 0.3 1 814 98 98 ILE CD1 C 13.596 0.3 1 815 98 98 ILE N N 119.042 0.15 1 816 99 99 GLU H H 7.872 0.02 1 817 99 99 GLU HA H 4.116 0.02 1 818 99 99 GLU HB2 H 2.095 0.02 1 819 99 99 GLU HB3 H 2.095 0.02 1 820 99 99 GLU HG2 H 2.298 0.02 1 821 99 99 GLU HG3 H 2.298 0.02 1 822 99 99 GLU CA C 58.156 0.3 1 823 99 99 GLU CB C 29.884 0.3 1 824 99 99 GLU CG C 36.334 0.3 1 825 99 99 GLU N N 120.311 0.15 1 826 100 100 ALA H H 7.772 0.02 1 827 100 100 ALA HA H 4.315 0.02 1 828 100 100 ALA HB H 1.486 0.02 1 829 100 100 ALA CA C 53.374 0.3 1 830 100 100 ALA CB C 19.447 0.3 1 831 100 100 ALA N N 120.8 0.15 1 832 101 101 GLU H H 8.273 0.02 1 833 101 101 GLU HA H 4.319 0.02 1 834 101 101 GLU HB2 H 2 0.02 1 835 101 101 GLU HB3 H 2 0.02 1 836 101 101 GLU HG2 H 2.288 0.02 1 837 101 101 GLU HG3 H 2.288 0.02 1 838 101 101 GLU CA C 56.853 0.3 1 839 101 101 GLU CB C 30.25 0.3 1 840 101 101 GLU CG C 36.221 0.3 1 841 101 101 GLU N N 115.992 0.15 1 842 102 102 GLY H H 8.228 0.02 1 843 102 102 GLY HA2 H 3.876 0.02 1 844 102 102 GLY HA3 H 3.876 0.02 1 845 102 102 GLY CA C 45.678 0.3 1 846 102 102 GLY N N 109.759 0.15 1 847 103 103 VAL H H 7.842 0.02 1 848 103 103 VAL HA H 4.141 0.02 1 849 103 103 VAL HB H 2.002 0.02 1 850 103 103 VAL HG1 H 0.88 0.02 1 851 103 103 VAL HG2 H 0.88 0.02 1 852 103 103 VAL CA C 62.25 0.3 1 853 103 103 VAL CB C 33.2 0.3 1 854 103 103 VAL CG1 C 21.001 0.3 1 855 103 103 VAL CG2 C 21.001 0.3 1 856 103 103 VAL N N 119.366 0.15 1 857 104 104 VAL H H 7.946 0.02 1 858 104 104 VAL HA H 4.312 0.02 1 859 104 104 VAL HB H 1.942 0.02 1 860 104 104 VAL HG1 H 0.824 0.02 1 861 104 104 VAL HG2 H 0.824 0.02 1 862 104 104 VAL CA C 61.207 0.3 1 863 104 104 VAL CB C 33.593 0.3 1 864 104 104 VAL CG1 C 20.968 0.3 1 865 104 104 VAL CG2 C 20.968 0.3 1 866 104 104 VAL N N 123.514 0.15 1 867 105 105 THR H H 8.136 0.02 1 868 105 105 THR HA H 4.577 0.02 1 869 105 105 THR HG2 H 1.274 0.02 1 870 105 105 THR CA C 60.559 0.3 1 871 105 105 THR CB C 71.022 0.3 1 872 105 105 THR CG2 C 21.836 0.3 1 873 105 105 THR N N 114.049 0.15 1 874 106 106 SER H H 9.007 0.02 1 875 106 106 SER HA H 3.96 0.02 1 876 106 106 SER HB2 H 3.96 0.02 1 877 106 106 SER HB3 H 3.96 0.02 1 878 106 106 SER CB C 62.325 0.3 1 879 106 106 SER N N 117.625 0.15 1 880 107 107 THR H H 7.908 0.02 1 881 107 107 THR HA H 4.095 0.02 1 882 107 107 THR HB H 4.095 0.02 1 883 107 107 THR HG2 H 1.263 0.02 1 884 107 107 THR CA C 65.601 0.3 1 885 107 107 THR CB C 68.695 0.3 1 886 107 107 THR CG2 C 21.877 0.3 1 887 107 107 THR N N 116.841 0.15 1 888 108 108 GLU H H 7.814 0.02 1 889 108 108 GLU HA H 4.185 0.02 1 890 108 108 GLU HB2 H 2.151 0.02 1 891 108 108 GLU HB3 H 2.151 0.02 1 892 108 108 GLU HG2 H 2.709 0.02 1 893 108 108 GLU HG3 H 2.709 0.02 1 894 108 108 GLU CA C 59.039 0.3 1 895 108 108 GLU CB C 29.517 0.3 1 896 108 108 GLU CG C 36.399 0.3 1 897 108 108 GLU N N 122.814 0.15 1 898 109 109 PHE H H 8.407 0.02 1 899 109 109 PHE HA H 4.539 0.02 1 900 109 109 PHE HB2 H 3.244 0.02 1 901 109 109 PHE HB3 H 2.945 0.02 1 902 109 109 PHE CA C 60.005 0.3 1 903 109 109 PHE CB C 39.199 0.3 1 904 109 109 PHE N N 120.773 0.15 1 905 110 110 ALA H H 8.65 0.02 1 906 110 110 ALA HB H 1.449 0.02 1 907 110 110 ALA CA C 55.644 0.3 1 908 110 110 ALA CB C 17.881 0.3 1 909 110 110 ALA N N 120.482 0.15 1 910 111 111 SER H H 7.773 0.02 1 911 111 111 SER HA H 4.201 0.02 1 912 111 111 SER HB2 H 4.011 0.02 1 913 111 111 SER HB3 H 4.011 0.02 1 914 111 111 SER CA C 61.658 0.3 1 915 111 111 SER CB C 62.789 0.3 1 916 111 111 SER N N 113.399 0.15 1 917 112 112 GLN H H 7.834 0.02 1 918 112 112 GLN HA H 4.133 0.02 1 919 112 112 GLN HB2 H 2.175 0.02 1 920 112 112 GLN HB3 H 2.175 0.02 1 921 112 112 GLN HG2 H 2.576 0.02 1 922 112 112 GLN HG3 H 2.576 0.02 1 923 112 112 GLN CA C 58.902 0.3 1 924 112 112 GLN CB C 28.28 0.3 1 925 112 112 GLN CG C 33.922 0.3 1 926 112 112 GLN N N 121.302 0.15 1 927 113 113 LEU H H 8.151 0.02 1 928 113 113 LEU HA H 4.009 0.02 1 929 113 113 LEU HB2 H 2.043 0.02 1 930 113 113 LEU HB3 H 2.043 0.02 1 931 113 113 LEU HG H 1.253 0.02 1 932 113 113 LEU HD1 H 0.696 0.02 1 933 113 113 LEU HD2 H 0.696 0.02 1 934 113 113 LEU CA C 57.828 0.3 1 935 113 113 LEU CB C 42.279 0.3 1 936 113 113 LEU CG C 26.083 0.3 1 937 113 113 LEU CD1 C 22.778 0.3 1 938 113 113 LEU CD2 C 22.778 0.3 1 939 113 113 LEU N N 118.807 0.15 1 940 114 114 GLN H H 8.048 0.02 1 941 114 114 GLN HA H 4.07 0.02 1 942 114 114 GLN HB2 H 1.628 0.02 1 943 114 114 GLN HB3 H 1.628 0.02 1 944 114 114 GLN HG2 H 2.357 0.02 1 945 114 114 GLN HG3 H 2.357 0.02 1 946 114 114 GLN CA C 59.605 0.3 1 947 114 114 GLN CB C 30.052 0.3 1 948 114 114 GLN CG C 34.311 0.3 1 949 114 114 GLN N N 118.255 0.15 1 950 115 115 ASN H H 8.026 0.02 1 951 115 115 ASN HA H 4.399 0.02 1 952 115 115 ASN HB2 H 2.76 0.02 1 953 115 115 ASN HB3 H 2.76 0.02 1 954 115 115 ASN CA C 55.86 0.3 1 955 115 115 ASN CB C 39.022 0.3 1 956 115 115 ASN N N 116.396 0.15 1 957 116 116 ARG H H 8.317 0.02 1 958 116 116 ARG HA H 3.98 0.02 1 959 116 116 ARG HD2 H 2.802 0.02 1 960 116 116 ARG HD3 H 2.802 0.02 1 961 116 116 ARG CA C 58.231 0.3 1 962 116 116 ARG CB C 30.797 0.3 1 963 116 116 ARG CD C 43.333 0.3 1 964 116 116 ARG N N 117.675 0.15 1 965 117 117 TYR H H 7.519 0.02 1 966 117 117 TYR HA H 4.851 0.02 1 967 117 117 TYR HB2 H 3.408 0.02 1 968 117 117 TYR HB3 H 2.724 0.02 1 969 117 117 TYR CA C 57.287 0.3 1 970 117 117 TYR CB C 40.114 0.3 1 971 117 117 TYR N N 112.535 0.15 1 972 118 118 GLY H H 7.796 0.02 1 973 118 118 GLY HA2 H 3.985 0.02 1 974 118 118 GLY HA3 H 3.985 0.02 1 975 118 118 GLY CA C 46.61 0.3 1 976 118 118 GLY N N 108.78 0.15 1 977 119 119 ILE HA H 4.306 0.02 1 978 119 119 ILE HB H 1.825 0.02 1 979 119 119 ILE HG2 H 0.907 0.02 1 980 119 119 ILE HD1 H 0.7 0.02 1 981 119 119 ILE CA C 60.121 0.3 1 982 119 119 ILE CB C 39.015 0.3 1 983 119 119 ILE CG1 C 26.318 0.3 1 984 119 119 ILE CG2 C 17.491 0.3 1 985 119 119 ILE CD1 C 13.413 0.3 1 986 120 120 ASP H H 8.376 0.02 1 987 120 120 ASP HA H 4.489 0.02 1 988 120 120 ASP HB2 H 2.907 0.02 1 989 120 120 ASP HB3 H 2.668 0.02 1 990 120 120 ASP CA C 54.168 0.3 1 991 120 120 ASP CB C 42.505 0.3 1 992 120 120 ASP N N 122.09 0.15 1 993 121 121 LYS H H 8.419 0.02 1 994 121 121 LYS HA H 3.697 0.02 1 995 121 121 LYS HB2 H 1.855 0.02 1 996 121 121 LYS HB3 H 1.855 0.02 1 997 121 121 LYS HD2 H 1.714 0.02 1 998 121 121 LYS HD3 H 1.714 0.02 1 999 121 121 LYS HE2 H 2.991 0.02 1 1000 121 121 LYS HE3 H 2.991 0.02 1 1001 121 121 LYS CA C 60.18 0.3 1 1002 121 121 LYS CB C 33.022 0.3 1 1003 121 121 LYS CG C 24.397 0.3 1 1004 121 121 LYS CD C 29.493 0.3 1 1005 121 121 LYS CE C 42.039 0.3 1 1006 121 121 LYS N N 121.379 0.15 1 1007 122 122 GLN H H 8.287 0.02 1 1008 122 122 GLN HA H 4.123 0.02 1 1009 122 122 GLN HB2 H 2.149 0.02 1 1010 122 122 GLN HB3 H 2.149 0.02 1 1011 122 122 GLN HG2 H 2.41 0.02 1 1012 122 122 GLN HG3 H 2.41 0.02 1 1013 122 122 GLN CA C 59.26 0.3 1 1014 122 122 GLN CB C 28.351 0.3 1 1015 122 122 GLN CG C 34.462 0.3 1 1016 122 122 GLN N N 117.616 0.15 1 1017 123 123 GLN H H 8.046 0.02 1 1018 123 123 GLN HA H 4.021 0.02 1 1019 123 123 GLN HB2 H 2.282 0.02 1 1020 123 123 GLN HB3 H 2.282 0.02 1 1021 123 123 GLN HG2 H 2.465 0.02 1 1022 123 123 GLN HG3 H 2.465 0.02 1 1023 123 123 GLN CA C 58.528 0.3 1 1024 123 123 GLN CB C 29.124 0.3 1 1025 123 123 GLN CG C 34.412 0.3 1 1026 123 123 GLN N N 119.234 0.15 1 1027 124 124 ALA H H 8.627 0.02 1 1028 124 124 ALA HA H 3.859 0.02 1 1029 124 124 ALA HB H 1.499 0.02 1 1030 124 124 ALA CA C 55.45 0.3 1 1031 124 124 ALA CB C 18.948 0.3 1 1032 124 124 ALA N N 121.078 0.15 1 1033 125 125 GLU H H 8.076 0.02 1 1034 125 125 GLU HA H 3.947 0.02 1 1035 125 125 GLU HB2 H 2.16 0.02 1 1036 125 125 GLU HB3 H 2.16 0.02 1 1037 125 125 GLU HG2 H 2.47 0.02 1 1038 125 125 GLU HG3 H 2.47 0.02 1 1039 125 125 GLU CA C 59.958 0.3 1 1040 125 125 GLU CB C 29.537 0.3 1 1041 125 125 GLU CG C 36.682 0.3 1 1042 125 125 GLU N N 117.272 0.15 1 1043 126 126 ILE H H 7.593 0.02 1 1044 126 126 ILE HA H 3.887 0.02 1 1045 126 126 ILE HB H 1.781 0.02 1 1046 126 126 ILE HG12 H 1.439 0.02 1 1047 126 126 ILE HG13 H 1.439 0.02 1 1048 126 126 ILE HG2 H 0.919 0.02 1 1049 126 126 ILE HD1 H 0.919 0.02 1 1050 126 126 ILE CA C 64.724 0.3 1 1051 126 126 ILE CB C 38.244 0.3 1 1052 126 126 ILE CG2 C 17.559 0.3 1 1053 126 126 ILE CD1 C 13.429 0.3 1 1054 126 126 ILE N N 119.233 0.15 1 1055 127 127 LEU H H 8.285 0.02 1 1056 127 127 LEU HA H 3.975 0.02 1 1057 127 127 LEU HB2 H 1.765 0.02 1 1058 127 127 LEU HB3 H 1.765 0.02 1 1059 127 127 LEU HG H 1.39 0.02 1 1060 127 127 LEU HD1 H 0.832 0.02 1 1061 127 127 LEU HD2 H 0.832 0.02 1 1062 127 127 LEU CA C 57.79 0.3 1 1063 127 127 LEU CB C 42.514 0.3 1 1064 127 127 LEU CG C 26.977 0.3 1 1065 127 127 LEU CD1 C 25.482 0.3 1 1066 127 127 LEU CD2 C 24.361 0.3 1 1067 127 127 LEU N N 120.487 0.15 1 1068 128 128 ALA H H 8.489 0.02 1 1069 128 128 ALA HA H 4.075 0.02 1 1070 128 128 ALA HB H 1.624 0.02 1 1071 128 128 ALA CA C 55.671 0.3 1 1072 128 128 ALA CB C 19.797 0.3 1 1073 128 128 ALA N N 120.487 0.15 1 1074 129 129 VAL H H 8.021 0.02 1 1075 129 129 VAL HA H 3.664 0.02 1 1076 129 129 VAL HB H 2.141 0.02 1 1077 129 129 VAL HG1 H 0.881 0.02 1 1078 129 129 VAL HG2 H 0.881 0.02 1 1079 129 129 VAL CA C 66.378 0.3 1 1080 129 129 VAL CB C 32.091 0.3 1 1081 129 129 VAL CG1 C 23.091 0.3 1 1082 129 129 VAL CG2 C 23.091 0.3 1 1083 129 129 VAL N N 116.382 0.15 1 1084 130 130 ALA H H 7.935 0.02 1 1085 130 130 ALA HB H 1.458 0.02 1 1086 130 130 ALA CA C 54.739 0.3 1 1087 130 130 ALA CB C 18.42 0.3 1 1088 130 130 ALA N N 123.128 0.15 1 1089 131 131 ALA H H 8.687 0.02 1 1090 131 131 ALA HB H 1.438 0.02 1 1091 131 131 ALA CA C 55.121 0.3 1 1092 131 131 ALA CB C 18.937 0.3 1 1093 131 131 ALA N N 120.15 0.15 1 1094 132 132 LEU H H 8.225 0.02 1 1095 132 132 LEU HA H 4.022 0.02 1 1096 132 132 LEU HB2 H 1.811 0.02 1 1097 132 132 LEU HB3 H 1.811 0.02 1 1098 132 132 LEU HG H 1.613 0.02 1 1099 132 132 LEU HD1 H 0.738 0.02 1 1100 132 132 LEU HD2 H 0.738 0.02 1 1101 132 132 LEU CA C 57.163 0.3 1 1102 132 132 LEU CB C 41.242 0.3 1 1103 132 132 LEU CG C 27.822 0.3 1 1104 132 132 LEU CD1 C 24.867 0.3 1 1105 132 132 LEU CD2 C 23.733 0.3 1 1106 132 132 LEU N N 116.32 0.15 1 1107 133 133 GLY H H 8.156 0.02 1 1108 133 133 GLY HA2 H 3.89 0.02 1 1109 133 133 GLY HA3 H 3.89 0.02 1 1110 133 133 GLY CA C 46.548 0.3 1 1111 133 133 GLY N N 107.567 0.15 1 1112 134 134 ALA H H 7.668 0.02 1 1113 134 134 ALA HB H 1.4 0.02 1 1114 134 134 ALA CA C 52.792 0.3 1 1115 134 134 ALA CB C 19.117 0.3 1 1116 134 134 ALA N N 122.333 0.15 1 1117 135 135 VAL H H 8.023 0.02 1 1118 135 135 VAL HA H 4.121 0.02 1 1119 135 135 VAL HB H 2.237 0.02 1 1120 135 135 VAL HG1 H 0.965 0.02 1 1121 135 135 VAL HG2 H 0.965 0.02 1 1122 135 135 VAL CA C 63.28 0.3 1 1123 135 135 VAL CB C 32.427 0.3 1 1124 135 135 VAL CG1 C 21.56 0.3 1 1125 135 135 VAL CG2 C 21.56 0.3 1 1126 135 135 VAL N N 118.745 0.15 1 1127 136 136 THR H H 7.967 0.02 1 1128 136 136 THR HA H 4.336 0.02 1 1129 136 136 THR HB H 4.336 0.02 1 1130 136 136 THR HG2 H 1.251 0.02 1 1131 136 136 THR CA C 62.808 0.3 1 1132 136 136 THR CB C 69.916 0.3 1 1133 136 136 THR CG2 C 21.592 0.3 1 1134 136 136 THR N N 113.285 0.15 1 1135 137 137 GLY H H 8.16 0.02 1 1136 137 137 GLY HA2 H 4.013 0.02 1 1137 137 137 GLY HA3 H 4.013 0.02 1 1138 137 137 GLY CA C 45.862 0.3 1 1139 137 137 GLY N N 110.436 0.15 1 1140 138 138 GLY H H 8.205 0.02 1 1141 138 138 GLY HA2 H 3.968 0.02 1 1142 138 138 GLY HA3 H 3.968 0.02 1 1143 138 138 GLY CA C 45.532 0.3 1 1144 138 138 GLY N N 108.354 0.15 1 1145 139 139 MET H H 8.184 0.02 1 1146 139 139 MET HA H 4.478 0.02 1 1147 139 139 MET HB2 H 2.131 0.02 1 1148 139 139 MET HB3 H 2.131 0.02 1 1149 139 139 MET HG2 H 2.576 0.02 1 1150 139 139 MET HG3 H 2.576 0.02 1 1151 139 139 MET CA C 55.809 0.3 1 1152 139 139 MET CB C 32.858 0.3 1 1153 139 139 MET CG C 32.195 0.3 1 1154 139 139 MET N N 119.315 0.15 1 1155 140 140 GLY H H 8.414 0.02 1 1156 140 140 GLY HA2 H 4.192 0.02 1 1157 140 140 GLY HA3 H 4.192 0.02 1 1158 140 140 GLY CA C 45.435 0.3 1 1159 140 140 GLY N N 109.505 0.15 1 1160 141 141 LYS H H 8.163 0.02 1 1161 141 141 LYS HA H 4.392 0.02 1 1162 141 141 LYS HB2 H 1.876 0.02 1 1163 141 141 LYS HB3 H 1.876 0.02 1 1164 141 141 LYS HG2 H 1.432 0.02 1 1165 141 141 LYS HG3 H 1.432 0.02 1 1166 141 141 LYS HD2 H 1.703 0.02 1 1167 141 141 LYS HD3 H 1.703 0.02 1 1168 141 141 LYS HE2 H 2.994 0.02 1 1169 141 141 LYS HE3 H 2.994 0.02 1 1170 141 141 LYS CA C 56.305 0.3 1 1171 141 141 LYS CB C 33.109 0.3 1 1172 141 141 LYS CG C 24.608 0.3 1 1173 141 141 LYS CD C 28.981 0.3 1 1174 141 141 LYS CE C 42.163 0.3 1 1175 141 141 LYS N N 120.62 0.15 1 1176 142 142 SER H H 8.386 0.02 1 1177 142 142 SER HA H 4.483 0.02 1 1178 142 142 SER HB2 H 3.894 0.02 1 1179 142 142 SER HB3 H 3.894 0.02 1 1180 142 142 SER CA C 58.578 0.3 1 1181 142 142 SER CB C 63.883 0.3 1 1182 142 142 SER N N 116.757 0.15 1 1183 143 143 GLY H H 8.447 0.02 1 1184 143 143 GLY HA2 H 4.038 0.02 1 1185 143 143 GLY HA3 H 4.038 0.02 1 1186 143 143 GLY CA C 45.531 0.3 1 1187 143 143 GLY N N 110.782 0.15 1 1188 144 144 THR H H 8.077 0.02 1 1189 144 144 THR HA H 4.403 0.02 1 1190 144 144 THR HB H 4.257 0.02 1 1191 144 144 THR HG2 H 1.204 0.02 1 1192 144 144 THR CA C 61.883 0.3 1 1193 144 144 THR CB C 69.902 0.3 1 1194 144 144 THR CG2 C 21.576 0.3 1 1195 144 144 THR N N 113.267 0.15 1 1196 145 145 SER H H 8.38 0.02 1 1197 145 145 SER HA H 4.563 0.02 1 1198 145 145 SER HB2 H 3.898 0.02 1 1199 145 145 SER HB3 H 3.898 0.02 1 1200 145 145 SER CA C 58.439 0.3 1 1201 145 145 SER CB C 63.891 0.3 1 1202 145 145 SER N N 118.131 0.15 1 1203 146 146 THR H H 8.236 0.02 1 1204 146 146 THR HA H 4.358 0.02 1 1205 146 146 THR HB H 4.22 0.02 1 1206 146 146 THR HG2 H 1.198 0.02 1 1207 146 146 THR CA C 62.165 0.3 1 1208 146 146 THR CB C 69.69 0.3 1 1209 146 146 THR CG2 C 21.684 0.3 1 1210 146 146 THR N N 116.471 0.15 1 1211 147 147 VAL H H 8.124 0.02 1 1212 147 147 VAL HA H 4.168 0.02 1 1213 147 147 VAL HB H 2.088 0.02 1 1214 147 147 VAL HG1 H 0.936 0.02 1 1215 147 147 VAL HG2 H 0.936 0.02 1 1216 147 147 VAL CA C 62.587 0.3 1 1217 147 147 VAL CB C 32.712 0.3 1 1218 147 147 VAL CG1 C 20.928 0.3 1 1219 147 147 VAL CG2 C 20.928 0.3 1 1220 147 147 VAL N N 122.334 0.15 1 1221 148 148 THR H H 8.172 0.02 1 1222 148 148 THR HA H 4.318 0.02 1 1223 148 148 THR HB H 4.176 0.02 1 1224 148 148 THR HG2 H 1.193 0.02 1 1225 148 148 THR CA C 62.064 0.3 1 1226 148 148 THR CB C 69.718 0.3 1 1227 148 148 THR CG2 C 21.703 0.3 1 1228 148 148 THR N N 118.238 0.15 1 1229 149 149 LYS H H 8.272 0.02 1 1230 149 149 LYS HA H 4.302 0.02 1 1231 149 149 LYS HB2 H 1.764 0.02 1 1232 149 149 LYS HB3 H 1.764 0.02 1 1233 149 149 LYS HG2 H 1.407 0.02 1 1234 149 149 LYS HG3 H 1.407 0.02 1 1235 149 149 LYS HD2 H 1.689 0.02 1 1236 149 149 LYS HD3 H 1.689 0.02 1 1237 149 149 LYS HE2 H 2.966 0.02 1 1238 149 149 LYS HE3 H 2.966 0.02 1 1239 149 149 LYS CA C 56.462 0.3 1 1240 149 149 LYS CB C 33.136 0.3 1 1241 149 149 LYS CG C 24.635 0.3 1 1242 149 149 LYS CD C 28.926 0.3 1 1243 149 149 LYS CE C 42.093 0.3 1 1244 149 149 LYS N N 123.708 0.15 1 1245 150 150 ASN H H 8.427 0.02 1 1246 150 150 ASN HA H 4.659 0.02 1 1247 150 150 ASN HB2 H 2.778 0.02 1 1248 150 150 ASN HB3 H 2.778 0.02 1 1249 150 150 ASN CA C 53.43 0.3 1 1250 150 150 ASN CB C 38.745 0.3 1 1251 150 150 ASN N N 119.734 0.15 1 stop_ save_