data_26022 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of translation initiation factor IF1 from wolbachia endosymbiont strain TRS of Brugia malayi ; _BMRB_accession_number 26022 _BMRB_flat_file_name bmr26022.str _Entry_type original _Submission_date 2016-03-31 _Accession_date 2016-03-31 _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 Kabra Ashish . . 2 Nag Jitendra . . 3 Arora Ashish . . 4 Bhattacharya Shailja Misra . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 509 "13C chemical shifts" 376 "15N chemical shifts" 83 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2017-03-30 original BMRB . stop_ _Original_release_date 2016-07-07 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Solution structure of translation initiation factor IF1 from wolbachia endosymbiont strain TRS of Brugia malayi ; _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Kabra Ashish . . 2 Nag Jitendra . . 3 Arora Ashish . . 4 Bhattacharya Shailja Misra . stop_ _Journal_abbreviation 'Not known' _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'translation initiation factor IF1' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'translation initiation factor IF1' $IF1 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_IF1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common IF1 _Molecular_mass 9956.837 _Mol_thiol_state . _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 87 _Mol_residue_sequence ; MVKDEKSKTLFEVEGAVTAL LPAAEFRVKLDNEHEIICHV SGKVRRSKIRIIIGDRVLVE MSIYDRNAKKGRIIRRLKGT SDRTISK ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 MET 2 2 VAL 3 3 LYS 4 4 ASP 5 5 GLU 6 6 LYS 7 7 SER 8 8 LYS 9 9 THR 10 10 LEU 11 11 PHE 12 12 GLU 13 13 VAL 14 14 GLU 15 15 GLY 16 16 ALA 17 17 VAL 18 18 THR 19 19 ALA 20 20 LEU 21 21 LEU 22 22 PRO 23 23 ALA 24 24 ALA 25 25 GLU 26 26 PHE 27 27 ARG 28 28 VAL 29 29 LYS 30 30 LEU 31 31 ASP 32 32 ASN 33 33 GLU 34 34 HIS 35 35 GLU 36 36 ILE 37 37 ILE 38 38 CYS 39 39 HIS 40 40 VAL 41 41 SER 42 42 GLY 43 43 LYS 44 44 VAL 45 45 ARG 46 46 ARG 47 47 SER 48 48 LYS 49 49 ILE 50 50 ARG 51 51 ILE 52 52 ILE 53 53 ILE 54 54 GLY 55 55 ASP 56 56 ARG 57 57 VAL 58 58 LEU 59 59 VAL 60 60 GLU 61 61 MET 62 62 SER 63 63 ILE 64 64 TYR 65 65 ASP 66 66 ARG 67 67 ASN 68 68 ALA 69 69 LYS 70 70 LYS 71 71 GLY 72 72 ARG 73 73 ILE 74 74 ILE 75 75 ARG 76 76 ARG 77 77 LEU 78 78 LYS 79 79 GLY 80 80 THR 81 81 SER 82 82 ASP 83 83 ARG 84 84 THR 85 85 ILE 86 86 SER 87 87 LYS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $IF1 a-proteobacteria 953 Bacteria . . . 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 $IF1 'recombinant technology' . Escherichia coli . pET-28 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $IF1 . mM 0.5 1.0 '[U-100% 15N]' 'sodium phosphate' 20 mM . . 'natural abundance' 'sodium chloride' 50 mM . . 'natural abundance' 'sodium azide' 0.1 % . . 'natural abundance' PMSF 2 mM . . 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $IF1 . mM 0.8 1.0 '[U-100% 13C; U-100% 15N]' 'sodium phosphate' 20 mM . . 'natural abundance' 'sodium chloride' 50 mM . . 'natural abundance' 'sodium azide' 0.1 % . . 'natural abundance' PMSF 2 mM . . 'natural abundance' stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $IF1 1.0 mM '[U-100% 13C; U-100% 15N]' 'sodium phosphate' 20 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' 'sodium azide' 0.1 % 'natural abundance' PMSF 2 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Saveframe_category software _Name CYANA _Version . loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_PSVS _Saveframe_category software _Name PSVS _Version . loop_ _Vendor _Address _Electronic_address 'Bhattacharya and Montelione' . . stop_ loop_ _Task Validation 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_ save_CNS _Saveframe_category software _Name CNS _Version . loop_ _Vendor _Address _Electronic_address 'Brunger, Adams, Clore, Gros, Nilges and Read' . . stop_ loop_ _Task refinement 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_3D_HNCO_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_2 save_ save_3D_CBCA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_2 save_ save_3D_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_2 save_ save_3D_HN(CA)CO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $sample_2 save_ save_2D_1H-13C_HSQC_aliphatic_6 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic' _Sample_label $sample_3 save_ save_2D_1H-13C_HSQC_aromatic_7 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aromatic' _Sample_label $sample_3 save_ save_3D_1H-15N_NOESY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aliphatic_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_3 save_ save_3D_1H-13C_NOESY_aromatic_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _Sample_label $sample_3 save_ save_3D_1H-15N_TOCSY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _Sample_label $sample_1 save_ save_3D_C(CO)NH_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_2 save_ save_3D_H(CCO)NH_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_2 save_ save_3D_HCCH-TOCSY_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_3 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 50 . mM pH 6.5 . pH pressure 1 . atm temperature 298 . 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_Chemical_shifts _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCO' '3D CBCA(CO)NH' '3D HNCACB' '3D HN(CA)CO' '3D C(CO)NH' '3D H(CCO)NH' stop_ loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'translation initiation factor IF1' _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 MET HA H 4.465 . . 2 1 1 MET HB2 H 2.010 . . 3 1 1 MET HB3 H 2.010 . . 4 1 1 MET HG2 H 2.534 . . 5 1 1 MET HG3 H 2.534 . . 6 1 1 MET H H 8.346 . . 7 1 1 MET C C 175.921 . . 8 1 1 MET CA C 55.535 . . 9 1 1 MET CB C 32.035 . . 10 1 1 MET CG C 29.116 . . 11 1 1 MET N N 122.118 . . 12 2 2 VAL H H 8.154 . . 13 2 2 VAL HA H 4.091 . . 14 2 2 VAL HB H 2.034 . . 15 2 2 VAL HG1 H 0.905 . . 16 2 2 VAL HG2 H 0.905 . . 17 2 2 VAL C C 175.921 . . 18 2 2 VAL CA C 62.057 . . 19 2 2 VAL CB C 32.848 . . 20 2 2 VAL CG1 C 20.793 . . 21 2 2 VAL CG2 C 20.793 . . 22 2 2 VAL N N 122.187 . . 23 3 3 LYS H H 8.396 . . 24 3 3 LYS HA H 4.289 . . 25 3 3 LYS HB2 H 2.240 . . 26 3 3 LYS HB3 H 2.240 . . 27 3 3 LYS HG2 H 1.374 . . 28 3 3 LYS HG3 H 1.374 . . 29 3 3 LYS HD2 H 1.732 . . 30 3 3 LYS HD3 H 1.732 . . 31 3 3 LYS HE2 H 2.963 . . 32 3 3 LYS HE3 H 2.963 . . 33 3 3 LYS C C 176.155 . . 34 3 3 LYS CA C 56.323 . . 35 3 3 LYS CB C 33.320 . . 36 3 3 LYS CG C 24.627 . . 37 3 3 LYS CD C 30.211 . . 38 3 3 LYS CE C 42.125 . . 39 3 3 LYS N N 125.437 . . 40 4 4 ASP H H 8.325 . . 41 4 4 ASP HA H 4.289 . . 42 4 4 ASP HB2 H 2.264 . . 43 4 4 ASP HB3 H 1.930 . . 44 4 4 ASP C C 176.319 . . 45 4 4 ASP CA C 54.029 . . 46 4 4 ASP CB C 41.280 . . 47 4 4 ASP N N 121.937 . . 48 5 5 GLU H H 8.464 . . 49 5 5 GLU HA H 4.250 . . 50 5 5 GLU HB2 H 1.945 . . 51 5 5 GLU HB3 H 1.946 . . 52 5 5 GLU HG2 H 2.248 . . 53 5 5 GLU HG3 H 2.248 . . 54 5 5 GLU C C 177.045 . . 55 5 5 GLU CA C 56.930 . . 56 5 5 GLU CB C 30.554 . . 57 5 5 GLU CG C 36.166 . . 58 5 5 GLU N N 122.369 . . 59 6 6 LYS H H 8.390 . . 60 6 6 LYS HA H 4.282 . . 61 6 6 LYS HB2 H 1.906 . . 62 6 6 LYS HB3 H 1.906 . . 63 6 6 LYS HG2 H 1.450 . . 64 6 6 LYS HG3 H 1.450 . . 65 6 6 LYS HD2 H 1.671 . . 66 6 6 LYS HD3 H 1.671 . . 67 6 6 LYS HE2 H 2.985 . . 68 6 6 LYS HE3 H 2.985 . . 69 6 6 LYS C C 177.185 . . 70 6 6 LYS CA C 56.930 . . 71 6 6 LYS CB C 32.713 . . 72 6 6 LYS CG C 24.780 . . 73 6 6 LYS CD C 29.050 . . 74 6 6 LYS CE C 42.800 . . 75 6 6 LYS N N 121.437 . . 76 7 7 SER H H 8.205 . . 77 7 7 SER HA H 4.396 . . 78 7 7 SER HB2 H 3.888 . . 79 7 7 SER HB3 H 3.888 . . 80 7 7 SER C C 174.609 . . 81 7 7 SER CA C 58.684 . . 82 7 7 SER CB C 63.608 . . 83 7 7 SER N N 115.822 . . 84 8 8 LYS H H 8.201 . . 85 8 8 LYS HA H 4.407 . . 86 8 8 LYS HB2 H 1.919 . . 87 8 8 LYS HB3 H 1.919 . . 88 8 8 LYS HG2 H 1.450 . . 89 8 8 LYS HG3 H 1.450 . . 90 8 8 LYS HD2 H 1.671 . . 91 8 8 LYS HD3 H 1.671 . . 92 8 8 LYS HE2 H 2.973 . . 93 8 8 LYS HE3 H 2.973 . . 94 8 8 LYS C C 176.694 . . 95 8 8 LYS CA C 56.390 . . 96 8 8 LYS CB C 33.185 . . 97 8 8 LYS CG C 24.788 . . 98 8 8 LYS CD C 29.123 . . 99 8 8 LYS CE C 42.193 . . 100 8 8 LYS N N 122.643 . . 101 9 9 THR H H 8.117 . . 102 9 9 THR HA H 4.341 . . 103 9 9 THR HB H 4.237 . . 104 9 9 THR HG2 H 1.134 . . 105 9 9 THR C C 173.438 . . 106 9 9 THR CA C 62.529 . . 107 9 9 THR CB C 69.342 . . 108 9 9 THR CG2 C 22.079 . . 109 9 9 THR N N 113.900 . . 110 10 10 LEU H H 7.786 . . 111 10 10 LEU HA H 4.858 . . 112 10 10 LEU HB2 H 1.585 . . 113 10 10 LEU HB3 H 1.307 . . 114 10 10 LEU HG H 1.567 . . 115 10 10 LEU HD1 H 0.760 . . 116 10 10 LEU HD2 H 0.760 . . 117 10 10 LEU C C 175.804 . . 118 10 10 LEU CA C 53.759 . . 119 10 10 LEU CB C 44.653 . . 120 10 10 LEU CG C 26.629 . . 121 10 10 LEU CD1 C 25.301 . . 122 10 10 LEU CD2 C 23.637 . . 123 10 10 LEU N N 124.082 . . 124 11 11 PHE H H 8.889 . . 125 11 11 PHE HA H 4.862 . . 126 11 11 PHE HB2 H 3.026 . . 127 11 11 PHE HB3 H 2.964 . . 128 11 11 PHE HD1 H 7.122 . . 129 11 11 PHE HD2 H 7.095 . . 130 11 11 PHE HE1 H 7.125 . . 131 11 11 PHE HE2 H 7.125 . . 132 11 11 PHE C C 173.578 . . 133 11 11 PHE CA C 56.120 . . 134 11 11 PHE CB C 41.212 . . 135 11 11 PHE N N 120.942 . . 136 12 12 GLU H H 8.285 . . 137 12 12 GLU HA H 5.539 . . 138 12 12 GLU HB2 H 1.880 . . 139 12 12 GLU HB3 H 1.739 . . 140 12 12 GLU HG2 H 2.257 . . 141 12 12 GLU HG3 H 2.257 . . 142 12 12 GLU C C 176.295 . . 143 12 12 GLU CA C 54.501 . . 144 12 12 GLU CB C 31.768 . . 145 12 12 GLU CG C 36.233 . . 146 12 12 GLU N N 119.958 . . 147 13 13 VAL H H 9.192 . . 148 13 13 VAL HA H 4.570 . . 149 13 13 VAL HB H 2.042 . . 150 13 13 VAL HG1 H 0.942 . . 151 13 13 VAL HG2 H 0.864 . . 152 13 13 VAL C C 173.415 . . 153 13 13 VAL CA C 59.696 . . 154 13 13 VAL CB C 36.018 . . 155 13 13 VAL CG1 C 22.147 . . 156 13 13 VAL CG2 C 20.725 . . 157 13 13 VAL N N 120.742 . . 158 14 14 GLU H H 8.492 . . 159 14 14 GLU HA H 5.226 . . 160 14 14 GLU HB2 H 1.880 . . 161 14 14 GLU HB3 H 1.880 . . 162 14 14 GLU HG2 H 2.270 . . 163 14 14 GLU HG3 H 2.270 . . 164 14 14 GLU C C 176.295 . . 165 14 14 GLU CA C 55.243 . . 166 14 14 GLU CB C 32.173 . . 167 14 14 GLU CG C 37.182 . . 168 14 14 GLU N N 122.848 . . 169 15 15 GLY H H 8.454 . . 170 15 15 GLY HA2 H 4.451 . . 171 15 15 GLY HA3 H 3.572 . . 172 15 15 GLY C C 170.393 . . 173 15 15 GLY CA C 46.002 . . 174 15 15 GLY N N 105.005 . . 175 16 16 ALA H H 8.206 . . 176 16 16 ALA HA H 5.526 . . 177 16 16 ALA HB H 1.268 . . 178 16 16 ALA C C 176.834 . . 179 16 16 ALA CA C 49.644 . . 180 16 16 ALA CB C 22.054 . . 181 16 16 ALA N N 120.909 . . 182 17 17 VAL H H 8.868 . . 183 17 17 VAL HA H 4.380 . . 184 17 17 VAL HB H 2.257 . . 185 17 17 VAL HG1 H 0.949 . . 186 17 17 VAL HG2 H 0.747 . . 187 17 17 VAL C C 178.099 . . 188 17 17 VAL CA C 63.608 . . 189 17 17 VAL CB C 32.105 . . 190 17 17 VAL CG1 C 22.350 . . 191 17 17 VAL CG2 C 22.350 . . 192 17 17 VAL N N 122.567 . . 193 18 18 THR H H 9.545 . . 194 18 18 THR HA H 4.601 . . 195 18 18 THR HB H 4.341 . . 196 18 18 THR HG2 H 1.190 . . 197 18 18 THR C C 175.312 . . 198 18 18 THR CA C 61.517 . . 199 18 18 THR CB C 69.814 . . 200 18 18 THR CG2 C 23.366 . . 201 18 18 THR N N 120.937 . . 202 19 19 ALA H H 7.716 . . 203 19 19 ALA HA H 4.458 . . 204 19 19 ALA HB H 1.370 . . 205 19 19 ALA C C 174.703 . . 206 19 19 ALA CA C 53.017 . . 207 19 19 ALA CB C 22.054 . . 208 19 19 ALA N N 121.258 . . 209 20 20 LEU H H 8.711 . . 210 20 20 LEU HA H 4.393 . . 211 20 20 LEU HB2 H 1.658 . . 212 20 20 LEU HB3 H 1.658 . . 213 20 20 LEU HG H 1.658 . . 214 20 20 LEU HD1 H 0.962 . . 215 20 20 LEU HD2 H 0.962 . . 216 20 20 LEU C C 175.499 . . 217 20 20 LEU CA C 54.839 . . 218 20 20 LEU CB C 41.212 . . 219 20 20 LEU CG C 28.513 . . 220 20 20 LEU CD1 C 24.517 . . 221 20 20 LEU CD2 C 22.079 . . 222 20 20 LEU N N 123.420 . . 223 21 21 LEU H H 7.773 . . 224 21 21 LEU HA H 4.714 . . 225 21 21 LEU HB2 H 1.575 . . 226 21 21 LEU HB3 H 1.265 . . 227 21 21 LEU HG H 1.265 . . 228 21 21 LEU C C 174.328 . . 229 21 21 LEU CA C 52.680 . . 230 21 21 LEU CB C 41.684 . . 231 21 21 LEU N N 124.718 . . 232 22 22 PRO HA H 4.380 . . 233 22 22 PRO HB2 H 2.375 . . 234 22 22 PRO HB3 H 2.375 . . 235 22 22 PRO HG2 H 1.932 . . 236 22 22 PRO HG3 H 1.932 . . 237 22 22 PRO HD2 H 1.515 . . 238 22 22 PRO HD3 H 1.515 . . 239 22 22 PRO C C 175.616 . . 240 22 22 PRO CA C 62.529 . . 241 22 22 PRO CB C 32.240 . . 242 22 22 PRO CG C 27.700 . . 243 22 22 PRO CD C 42.176 . . 244 23 23 ALA H H 8.675 . . 245 23 23 ALA HA H 4.302 . . 246 23 23 ALA HB H 1.463 . . 247 23 23 ALA C C 176.178 . . 248 23 23 ALA CA C 52.882 . . 249 23 23 ALA CB C 17.336 . . 250 23 23 ALA N N 120.693 . . 251 24 24 ALA H H 8.381 . . 252 24 24 ALA HA H 3.820 . . 253 24 24 ALA HB H 1.449 . . 254 24 24 ALA C C 175.546 . . 255 24 24 ALA CA C 52.613 . . 256 24 24 ALA CB C 16.590 . . 257 24 24 ALA N N 115.540 . . 258 25 25 GLU H H 6.378 . . 259 25 25 GLU HA H 5.148 . . 260 25 25 GLU HB2 H 1.854 . . 261 25 25 GLU HB3 H 1.854 . . 262 25 25 GLU HG2 H 2.427 . . 263 25 25 GLU HG3 H 2.427 . . 264 25 25 GLU C C 175.757 . . 265 25 25 GLU CA C 54.911 . . 266 25 25 GLU CB C 32.645 . . 267 25 25 GLU CG C 37.791 . . 268 25 25 GLU N N 114.082 . . 269 26 26 PHE H H 8.950 . . 270 26 26 PHE HA H 4.979 . . 271 26 26 PHE HB2 H 2.388 . . 272 26 26 PHE HB3 H 2.388 . . 273 26 26 PHE HD1 H 7.013 . . 274 26 26 PHE HD2 H 7.027 . . 275 26 26 PHE HE1 H 7.193 . . 276 26 26 PHE HE2 H 7.193 . . 277 26 26 PHE C C 174.960 . . 278 26 26 PHE CA C 56.862 . . 279 26 26 PHE CB C 43.371 . . 280 26 26 PHE N N 117.365 . . 281 27 27 ARG H H 8.799 . . 282 27 27 ARG HA H 4.992 . . 283 27 27 ARG HB2 H 1.910 . . 284 27 27 ARG HB3 H 1.910 . . 285 27 27 ARG HG2 H 1.462 . . 286 27 27 ARG HG3 H 1.462 . . 287 27 27 ARG HD2 H 3.182 . . 288 27 27 ARG HD3 H 3.182 . . 289 27 27 ARG C C 175.148 . . 290 27 27 ARG CA C 56.323 . . 291 27 27 ARG CB C 32.240 . . 292 27 27 ARG CG C 28.242 . . 293 27 27 ARG CD C 43.141 . . 294 27 27 ARG N N 125.082 . . 295 28 28 VAL H H 9.124 . . 296 28 28 VAL HA H 4.757 . . 297 28 28 VAL HB H 1.749 . . 298 28 28 VAL HG1 H 0.672 . . 299 28 28 VAL HG2 H 0.460 . . 300 28 28 VAL C C 173.602 . . 301 28 28 VAL CA C 60.303 . . 302 28 28 VAL CB C 35.681 . . 303 28 28 VAL CG1 C 22.621 . . 304 28 28 VAL CG2 C 20.928 . . 305 28 28 VAL N N 127.456 . . 306 29 29 LYS H H 9.268 . . 307 29 29 LYS HA H 4.354 . . 308 29 29 LYS HB2 H 1.763 . . 309 29 29 LYS HB3 H 1.763 . . 310 29 29 LYS HD2 H 1.710 . . 311 29 29 LYS HD3 H 1.671 . . 312 29 29 LYS HE2 H 3.000 . . 313 29 29 LYS HE3 H 3.000 . . 314 29 29 LYS C C 176.740 . . 315 29 29 LYS CA C 55.041 . . 316 29 29 LYS CB C 34.062 . . 317 29 29 LYS CG C 24.653 . . 318 29 29 LYS CD C 29.393 . . 319 29 29 LYS N N 128.096 . . 320 30 30 LEU H H 9.000 . . 321 30 30 LEU HA H 4.653 . . 322 30 30 LEU HB2 H 2.270 . . 323 30 30 LEU HB3 H 2.270 . . 324 30 30 LEU HG H 1.476 . . 325 30 30 LEU HD1 H 0.553 . . 326 30 30 LEU HD2 H 0.553 . . 327 30 30 LEU C C 178.193 . . 328 30 30 LEU CA C 54.771 . . 329 30 30 LEU CB C 42.224 . . 330 30 30 LEU CG C 25.536 . . 331 30 30 LEU CD1 C 21.944 . . 332 30 30 LEU CD2 C 21.944 . . 333 30 30 LEU N N 129.600 . . 334 31 31 ASP H H 8.698 . . 335 31 31 ASP HA H 4.458 . . 336 31 31 ASP HB2 H 2.817 . . 337 31 31 ASP HB3 H 2.661 . . 338 31 31 ASP C C 176.155 . . 339 31 31 ASP CA C 55.918 . . 340 31 31 ASP CB C 39.593 . . 341 31 31 ASP N N 120.478 . . 342 32 32 ASN H H 7.680 . . 343 32 32 ASN HA H 4.588 . . 344 32 32 ASN HB2 H 3.130 . . 345 32 32 ASN HB3 H 2.739 . . 346 32 32 ASN C C 175.335 . . 347 32 32 ASN CA C 53.152 . . 348 32 32 ASN CB C 37.367 . . 349 32 32 ASN N N 115.450 . . 350 33 33 GLU H H 8.097 . . 351 33 33 GLU HA H 3.898 . . 352 33 33 GLU HB2 H 2.160 . . 353 33 33 GLU HB3 H 2.160 . . 354 33 33 GLU HG2 H 2.244 . . 355 33 33 GLU HG3 H 1.971 . . 356 33 33 GLU C C 175.733 . . 357 33 33 GLU CA C 58.144 . . 358 33 33 GLU CB C 28.242 . . 359 33 33 GLU CG C 36.629 . . 360 33 33 GLU N N 111.790 . . 361 34 34 HIS H H 7.890 . . 362 34 34 HIS HA H 4.201 . . 363 34 34 HIS HB2 H 2.147 . . 364 34 34 HIS HB3 H 1.857 . . 365 34 34 HIS C C 173.789 . . 366 34 34 HIS CA C 56.053 . . 367 34 34 HIS CB C 30.487 . . 368 34 34 HIS N N 119.193 . . 369 35 35 GLU HA H 5.400 . . 370 35 35 GLU HB2 H 1.915 . . 371 35 35 GLU HB3 H 1.915 . . 372 35 35 GLU HG2 H 2.243 . . 373 35 35 GLU HG3 H 2.243 . . 374 35 35 GLU C C 175.944 . . 375 35 35 GLU CA C 55.109 . . 376 35 35 GLU CB C 32.308 . . 377 35 35 GLU CG C 37.696 . . 378 36 36 ILE H H 9.066 . . 379 36 36 ILE HA H 4.686 . . 380 36 36 ILE HB H 1.867 . . 381 36 36 ILE HG12 H 1.454 . . 382 36 36 ILE HG13 H 1.454 . . 383 36 36 ILE HG2 H 0.937 . . 384 36 36 ILE HD1 H 0.650 . . 385 36 36 ILE C C 173.790 . . 386 36 36 ILE CA C 59.156 . . 387 36 36 ILE CB C 42.696 . . 388 36 36 ILE CG1 C 26.146 . . 389 36 36 ILE CG2 C 17.874 . . 390 36 36 ILE CD1 C 15.611 . . 391 36 36 ILE N N 119.077 . . 392 37 37 ILE H H 8.261 . . 393 37 37 ILE HA H 4.778 . . 394 37 37 ILE HB H 1.940 . . 395 37 37 ILE HG12 H 1.606 . . 396 37 37 ILE HG13 H 1.212 . . 397 37 37 ILE HG2 H 0.832 . . 398 37 37 ILE HD1 H 0.878 . . 399 37 37 ILE C C 177.057 . . 400 37 37 ILE CA C 59.723 . . 401 37 37 ILE CB C 37.949 . . 402 37 37 ILE CG1 C 27.567 . . 403 37 37 ILE CG2 C 17.879 . . 404 37 37 ILE N N 122.787 . . 405 38 38 CYS H H 9.512 . . 406 38 38 CYS HA H 5.708 . . 407 38 38 CYS HB2 H 2.779 . . 408 38 38 CYS HB3 H 2.542 . . 409 38 38 CYS C C 174.258 . . 410 38 38 CYS CA C 56.930 . . 411 38 38 CYS CB C 33.252 . . 412 38 38 CYS N N 122.357 . . 413 39 39 HIS H H 7.597 . . 414 39 39 HIS HA H 5.526 . . 415 39 39 HIS HB2 H 3.533 . . 416 39 39 HIS HB3 H 3.416 . . 417 39 39 HIS HD1 H 10.280 . . 418 39 39 HIS C C 174.516 . . 419 39 39 HIS CA C 54.097 . . 420 39 39 HIS CB C 31.701 . . 421 39 39 HIS N N 117.101 . . 422 40 40 VAL H H 9.426 . . 423 40 40 VAL HA H 4.614 . . 424 40 40 VAL HB H 2.068 . . 425 40 40 VAL HG1 H 0.942 . . 426 40 40 VAL HG2 H 0.916 . . 427 40 40 VAL C C 175.804 . . 428 40 40 VAL CA C 61.382 . . 429 40 40 VAL CB C 33.396 . . 430 40 40 VAL CG1 C 22.418 . . 431 40 40 VAL CG2 C 20.657 . . 432 40 40 VAL N N 117.923 . . 433 41 41 SER H H 8.341 . . 434 41 41 SER HA H 4.550 . . 435 41 41 SER HB2 H 3.859 . . 436 41 41 SER HB3 H 3.859 . . 437 41 41 SER C C 174.656 . . 438 41 41 SER CA C 58.126 . . 439 41 41 SER CB C 63.470 . . 440 41 41 SER N N 119.242 . . 441 42 42 GLY H H 8.380 . . 442 42 42 GLY HA2 H 4.769 . . 443 42 42 GLY HA3 H 3.911 . . 444 42 42 GLY C C 173.829 . . 445 42 42 GLY CA C 45.257 . . 446 42 42 GLY N N 110.569 . . 447 43 43 LYS HA H 3.977 . . 448 43 43 LYS HB2 H 1.857 . . 449 43 43 LYS HB3 H 1.857 . . 450 43 43 LYS HG2 H 0.864 . . 451 43 43 LYS HG3 H 0.864 . . 452 43 43 LYS HD2 H 1.684 . . 453 43 43 LYS HD3 H 1.684 . . 454 43 43 LYS HE2 H 2.987 . . 455 43 43 LYS HE3 H 2.987 . . 456 43 43 LYS C C 179.363 . . 457 43 43 LYS CA C 59.628 . . 458 43 43 LYS CB C 32.510 . . 459 43 43 LYS CG C 25.262 . . 460 43 43 LYS CD C 29.326 . . 461 43 43 LYS CE C 42.058 . . 462 44 44 VAL H H 7.571 . . 463 44 44 VAL HA H 3.661 . . 464 44 44 VAL HB H 2.094 . . 465 44 44 VAL HG1 H 0.773 . . 466 44 44 VAL HG2 H 0.708 . . 467 44 44 VAL C C 179.785 . . 468 44 44 VAL CA C 65.425 . . 469 44 44 VAL CB C 31.500 . . 470 44 44 VAL CG1 C 23.095 . . 471 44 44 VAL CG2 C 21.605 . . 472 44 44 VAL N N 120.404 . . 473 45 45 ARG H H 8.608 . . 474 45 45 ARG HA H 4.054 . . 475 45 45 ARG HB2 H 1.963 . . 476 45 45 ARG HB3 H 1.963 . . 477 45 45 ARG HG2 H 1.633 . . 478 45 45 ARG HG3 H 1.633 . . 479 45 45 ARG HD2 H 3.293 . . 480 45 45 ARG HD3 H 3.293 . . 481 45 45 ARG C C 179.504 . . 482 45 45 ARG CA C 59.669 . . 483 45 45 ARG CB C 30.417 . . 484 45 45 ARG CG C 27.497 . . 485 45 45 ARG CD C 43.548 . . 486 45 45 ARG N N 123.687 . . 487 46 46 ARG H H 8.474 . . 488 46 46 ARG HA H 4.148 . . 489 46 46 ARG HB2 H 1.884 . . 490 46 46 ARG HB3 H 1.884 . . 491 46 46 ARG HG2 H 1.658 . . 492 46 46 ARG HG3 H 1.658 . . 493 46 46 ARG HD2 H 3.299 . . 494 46 46 ARG HD3 H 3.299 . . 495 46 46 ARG C C 177.396 . . 496 46 46 ARG CA C 58.481 . . 497 46 46 ARG CB C 30.554 . . 498 46 46 ARG CG C 28.174 . . 499 46 46 ARG CD C 43.277 . . 500 46 46 ARG N N 118.506 . . 501 47 47 SER H H 7.645 . . 502 47 47 SER HA H 4.393 . . 503 47 47 SER HB2 H 4.030 . . 504 47 47 SER HB3 H 4.030 . . 505 47 47 SER C C 174.070 . . 506 47 47 SER CA C 59.696 . . 507 47 47 SER CB C 64.013 . . 508 47 47 SER N N 114.263 . . 509 48 48 LYS H H 7.821 . . 510 48 48 LYS HA H 3.990 . . 511 48 48 LYS HB2 H 2.015 . . 512 48 48 LYS HB3 H 2.015 . . 513 48 48 LYS HG2 H 1.409 . . 514 48 48 LYS HG3 H 1.409 . . 515 48 48 LYS HD2 H 1.699 . . 516 48 48 LYS HD3 H 1.699 . . 517 48 48 LYS HE2 H 3.000 . . 518 48 48 LYS HE3 H 3.000 . . 519 48 48 LYS C C 175.804 . . 520 48 48 LYS CA C 57.537 . . 521 48 48 LYS CB C 29.947 . . 522 48 48 LYS CG C 24.924 . . 523 48 48 LYS CD C 29.116 . . 524 48 48 LYS CE C 42.261 . . 525 48 48 LYS N N 115.405 . . 526 49 49 ILE H H 7.324 . . 527 49 49 ILE HA H 4.041 . . 528 49 49 ILE HB H 1.712 . . 529 49 49 ILE HG12 H 1.317 . . 530 49 49 ILE HG13 H 1.317 . . 531 49 49 ILE HG2 H 0.812 . . 532 49 49 ILE HD1 H 0.760 . . 533 49 49 ILE C C 175.125 . . 534 49 49 ILE CA C 61.315 . . 535 49 49 ILE CB C 38.919 . . 536 49 49 ILE CG1 C 26.549 . . 537 49 49 ILE CG2 C 17.339 . . 538 49 49 ILE CD1 C 13.546 . . 539 49 49 ILE N N 117.265 . . 540 50 50 ARG H H 8.437 . . 541 50 50 ARG HA H 4.471 . . 542 50 50 ARG HB2 H 1.710 . . 543 50 50 ARG HB3 H 1.710 . . 544 50 50 ARG HG2 H 1.475 . . 545 50 50 ARG HG3 H 1.475 . . 546 50 50 ARG HD2 H 3.174 . . 547 50 50 ARG HD3 H 3.174 . . 548 50 50 ARG C C 175.007 . . 549 50 50 ARG CA C 55.176 . . 550 50 50 ARG CB C 31.026 . . 551 50 50 ARG CG C 27.159 . . 552 50 50 ARG CD C 43.344 . . 553 50 50 ARG N N 126.687 . . 554 51 51 ILE H H 8.157 . . 555 51 51 ILE HA H 4.276 . . 556 51 51 ILE HB H 2.427 . . 557 51 51 ILE HG12 H 2.010 . . 558 51 51 ILE HG13 H 2.010 . . 559 51 51 ILE HG2 H 0.395 . . 560 51 51 ILE HD1 H 1.307 . . 561 51 51 ILE C C 174.726 . . 562 51 51 ILE CA C 60.235 . . 563 51 51 ILE CB C 37.772 . . 564 51 51 ILE CG1 C 27.971 . . 565 51 51 ILE CG2 C 18.964 . . 566 51 51 ILE CD1 C 16.239 . . 567 51 51 ILE N N 127.722 . . 568 52 52 ILE H H 8.674 . . 569 52 52 ILE HA H 4.781 . . 570 52 52 ILE HB H 2.015 . . 571 52 52 ILE HG12 H 1.437 . . 572 52 52 ILE HG13 H 1.437 . . 573 52 52 ILE HG2 H 0.864 . . 574 52 52 ILE HD1 H 0.799 . . 575 52 52 ILE C C 175.733 . . 576 52 52 ILE CA C 59.021 . . 577 52 52 ILE CB C 42.089 . . 578 52 52 ILE CG1 C 25.195 . . 579 52 52 ILE CG2 C 17.610 . . 580 52 52 ILE CD1 C 13.973 . . 581 52 52 ILE N N 121.888 . . 582 53 53 ILE H H 7.891 . . 583 53 53 ILE HA H 3.338 . . 584 53 53 ILE HB H 1.697 . . 585 53 53 ILE HG2 H 0.877 . . 586 53 53 ILE HD1 H 0.838 . . 587 53 53 ILE C C 177.021 . . 588 53 53 ILE CA C 64.274 . . 589 53 53 ILE CB C 37.256 . . 590 53 53 ILE CG1 C 29.123 . . 591 53 53 ILE CG2 C 17.068 . . 592 53 53 ILE CD1 C 12.957 . . 593 53 53 ILE N N 119.363 . . 594 54 54 GLY H H 8.853 . . 595 54 54 GLY HA2 H 4.478 . . 596 54 54 GLY HA3 H 3.609 . . 597 54 54 GLY C C 174.844 . . 598 54 54 GLY CA C 45.188 . . 599 54 54 GLY N N 116.136 . . 600 55 55 ASP H H 8.054 . . 601 55 55 ASP HA H 4.588 . . 602 55 55 ASP HB2 H 2.843 . . 603 55 55 ASP HB3 H 2.226 . . 604 55 55 ASP C C 175.804 . . 605 55 55 ASP CA C 55.200 . . 606 55 55 ASP CB C 41.048 . . 607 55 55 ASP N N 121.946 . . 608 56 56 ARG H H 8.766 . . 609 56 56 ARG HA H 5.200 . . 610 56 56 ARG HB2 H 1.725 . . 611 56 56 ARG HB3 H 1.725 . . 612 56 56 ARG HD2 H 3.234 . . 613 56 56 ARG HD3 H 3.234 . . 614 56 56 ARG C C 176.483 . . 615 56 56 ARG CA C 54.097 . . 616 56 56 ARG CB C 30.689 . . 617 56 56 ARG CG C 26.549 . . 618 56 56 ARG CD C 42.125 . . 619 56 56 ARG N N 120.974 . . 620 57 57 VAL H H 8.985 . . 621 57 57 VAL HA H 4.965 . . 622 57 57 VAL HB H 1.990 . . 623 57 57 VAL HG1 H 0.669 . . 624 57 57 VAL HG2 H 0.447 . . 625 57 57 VAL C C 172.243 . . 626 57 57 VAL CA C 58.077 . . 627 57 57 VAL CB C 36.288 . . 628 57 57 VAL CG1 C 22.418 . . 629 57 57 VAL CG2 C 17.948 . . 630 57 57 VAL N N 114.943 . . 631 58 58 LEU H H 8.382 . . 632 58 58 LEU HA H 4.731 . . 633 58 58 LEU HB2 H 1.776 . . 634 58 58 LEU HB3 H 1.776 . . 635 58 58 LEU HG H 1.124 . . 636 58 58 LEU HD1 H 0.817 . . 637 58 58 LEU HD2 H 0.773 . . 638 58 58 LEU C C 174.773 . . 639 58 58 LEU CA C 53.085 . . 640 58 58 LEU CB C 45.788 . . 641 58 58 LEU CG C 25.940 . . 642 58 58 LEU CD1 C 23.298 . . 643 58 58 LEU CD2 C 23.298 . . 644 58 58 LEU N N 122.410 . . 645 59 59 VAL H H 9.305 . . 646 59 59 VAL HA H 4.744 . . 647 59 59 VAL HB H 1.919 . . 648 59 59 VAL HG1 H 0.656 . . 649 59 59 VAL HG2 H 0.656 . . 650 59 59 VAL C C 174.141 . . 651 59 59 VAL CA C 60.279 . . 652 59 59 VAL CB C 34.399 . . 653 59 59 VAL CG1 C 22.147 . . 654 59 59 VAL CG2 C 22.147 . . 655 59 59 VAL N N 127.937 . . 656 60 60 GLU H H 9.142 . . 657 60 60 GLU HA H 5.304 . . 658 60 60 GLU HB2 H 1.945 . . 659 60 60 GLU HB3 H 1.945 . . 660 60 60 GLU HG2 H 2.095 . . 661 60 60 GLU HG3 H 2.127 . . 662 60 60 GLU C C 176.155 . . 663 60 60 GLU CA C 54.164 . . 664 60 60 GLU CB C 33.803 . . 665 60 60 GLU CG C 37.791 . . 666 60 60 GLU N N 124.832 . . 667 61 61 MET H H 8.984 . . 668 61 61 MET HA H 4.899 . . 669 61 61 MET HB2 H 2.101 . . 670 61 61 MET HB3 H 2.101 . . 671 61 61 MET HG2 H 2.466 . . 672 61 61 MET HG3 H 2.466 . . 673 61 61 MET C C 173.953 . . 674 61 61 MET CA C 54.232 . . 675 61 61 MET CB C 37.256 . . 676 61 61 MET CG C 31.357 . . 677 61 61 MET N N 124.187 . . 678 62 62 SER H H 9.167 . . 679 62 62 SER HA H 4.263 . . 680 62 62 SER HB2 H 3.911 . . 681 62 62 SER HB3 H 3.872 . . 682 62 62 SER C C 176.413 . . 683 62 62 SER CA C 56.893 . . 684 62 62 SER CB C 65.362 . . 685 62 62 SER N N 116.623 . . 686 63 63 ILE H H 8.604 . . 687 63 63 ILE HA H 3.989 . . 688 63 63 ILE HB H 1.725 . . 689 63 63 ILE HG12 H 1.067 . . 690 63 63 ILE HG13 H 1.067 . . 691 63 63 ILE HG2 H 0.698 . . 692 63 63 ILE HD1 H 0.760 . . 693 63 63 ILE C C 176.623 . . 694 63 63 ILE CA C 63.878 . . 695 63 63 ILE CB C 38.244 . . 696 63 63 ILE CG1 C 27.411 . . 697 63 63 ILE CG2 C 17.203 . . 698 63 63 ILE CD1 C 13.343 . . 699 63 63 ILE N N 121.187 . . 700 64 64 TYR H H 7.762 . . 701 64 64 TYR HA H 4.432 . . 702 64 64 TYR HB2 H 3.174 . . 703 64 64 TYR HB3 H 2.791 . . 704 64 64 TYR HD1 H 7.123 . . 705 64 64 TYR HD2 H 7.123 . . 706 64 64 TYR HE1 H 7.163 . . 707 64 64 TYR HE2 H 7.163 . . 708 64 64 TYR C C 177.092 . . 709 64 64 TYR CA C 59.156 . . 710 64 64 TYR CB C 38.109 . . 711 64 64 TYR N N 120.214 . . 712 65 65 ASP H H 7.798 . . 713 65 65 ASP HA H 4.495 . . 714 65 65 ASP HB2 H 2.810 . . 715 65 65 ASP HB3 H 2.810 . . 716 65 65 ASP C C 177.349 . . 717 65 65 ASP CA C 55.243 . . 718 65 65 ASP CB C 40.538 . . 719 65 65 ASP N N 121.338 . . 720 66 66 ARG H H 8.382 . . 721 66 66 ARG HA H 4.069 . . 722 66 66 ARG HB2 H 1.923 . . 723 66 66 ARG HB3 H 1.923 . . 724 66 66 ARG HG2 H 1.633 . . 725 66 66 ARG HG3 H 1.633 . . 726 66 66 ARG HD2 H 3.016 . . 727 66 66 ARG HD3 H 3.016 . . 728 66 66 ARG C C 178.448 . . 729 66 66 ARG CA C 58.401 . . 730 66 66 ARG CB C 30.184 . . 731 66 66 ARG CG C 27.020 . . 732 66 66 ARG CD C 43.426 . . 733 66 66 ARG N N 121.118 . . 734 67 67 ASN H H 8.194 . . 735 67 67 ASN HA H 4.601 . . 736 67 67 ASN HB2 H 2.882 . . 737 67 67 ASN HB3 H 2.882 . . 738 67 67 ASN C C 175.288 . . 739 67 67 ASN CA C 54.097 . . 740 67 67 ASN CB C 38.514 . . 741 67 67 ASN N N 117.334 . . 742 68 68 ALA H H 7.658 . . 743 68 68 ALA HA H 4.575 . . 744 68 68 ALA HB H 1.449 . . 745 68 68 ALA C C 176.272 . . 746 68 68 ALA CA C 52.478 . . 747 68 68 ALA CB C 19.086 . . 748 68 68 ALA N N 122.187 . . 749 69 69 LYS H H 8.255 . . 750 69 69 LYS HA H 4.197 . . 751 69 69 LYS HB2 H 2.088 . . 752 69 69 LYS HB3 H 2.088 . . 753 69 69 LYS HG2 H 1.423 . . 754 69 69 LYS HG3 H 1.423 . . 755 69 69 LYS HD2 H 1.725 . . 756 69 69 LYS HD3 H 1.684 . . 757 69 69 LYS HE2 H 2.973 . . 758 69 69 LYS HE3 H 2.973 . . 759 69 69 LYS C C 176.085 . . 760 69 69 LYS CA C 56.728 . . 761 69 69 LYS CB C 31.566 . . 762 69 69 LYS CG C 25.145 . . 763 69 69 LYS CD C 29.364 . . 764 69 69 LYS CE C 41.004 . . 765 69 69 LYS N N 116.931 . . 766 70 70 LYS H H 8.182 . . 767 70 70 LYS HA H 5.526 . . 768 70 70 LYS HB2 H 1.975 . . 769 70 70 LYS HB3 H 1.975 . . 770 70 70 LYS HG2 H 1.423 . . 771 70 70 LYS HG3 H 1.423 . . 772 70 70 LYS HD2 H 1.725 . . 773 70 70 LYS HD3 H 1.671 . . 774 70 70 LYS C C 175.171 . . 775 70 70 LYS CA C 54.704 . . 776 70 70 LYS CB C 36.850 . . 777 70 70 LYS CG C 24.832 . . 778 70 70 LYS CD C 29.286 . . 779 70 70 LYS N N 119.854 . . 780 71 71 GLY H H 7.780 . . 781 71 71 GLY HA2 H 4.451 . . 782 71 71 GLY HA3 H 3.559 . . 783 71 71 GLY C C 171.541 . . 784 71 71 GLY CA C 45.462 . . 785 71 71 GLY N N 103.604 . . 786 72 72 ARG H H 8.007 . . 787 72 72 ARG HA H 4.861 . . 788 72 72 ARG HB2 H 1.515 . . 789 72 72 ARG HB3 H 1.515 . . 790 72 72 ARG HG2 H 1.199 . . 791 72 72 ARG HG3 H 1.199 . . 792 72 72 ARG HD2 H 3.174 . . 793 72 72 ARG HD3 H 3.174 . . 794 72 72 ARG C C 175.570 . . 795 72 72 ARG CA C 53.624 . . 796 72 72 ARG CB C 34.129 . . 797 72 72 ARG CG C 27.364 . . 798 72 72 ARG CD C 43.679 . . 799 72 72 ARG N N 119.187 . . 800 73 73 ILE H H 9.094 . . 801 73 73 ILE HA H 4.263 . . 802 73 73 ILE HB H 1.528 . . 803 73 73 ILE HG2 H 0.646 . . 804 73 73 ILE HD1 H 0.760 . . 805 73 73 ILE C C 175.312 . . 806 73 73 ILE CA C 62.259 . . 807 73 73 ILE CB C 39.423 . . 808 73 73 ILE CG1 C 28.739 . . 809 73 73 ILE CG2 C 16.473 . . 810 73 73 ILE CD1 C 13.973 . . 811 73 73 ILE N N 125.721 . . 812 74 74 ILE H H 8.740 . . 813 74 74 ILE HA H 4.596 . . 814 74 74 ILE HB H 1.976 . . 815 74 74 ILE HG12 H 1.107 . . 816 74 74 ILE HG13 H 1.107 . . 817 74 74 ILE HG2 H 0.870 . . 818 74 74 ILE HD1 H 0.799 . . 819 74 74 ILE C C 176.249 . . 820 74 74 ILE CA C 60.910 . . 821 74 74 ILE CB C 39.863 . . 822 74 74 ILE CG1 C 26.161 . . 823 74 74 ILE CG2 C 18.582 . . 824 74 74 ILE CD1 C 14.051 . . 825 74 74 ILE N N 120.540 . . 826 75 75 ARG H H 7.397 . . 827 75 75 ARG HA H 4.289 . . 828 75 75 ARG HB2 H 1.697 . . 829 75 75 ARG HB3 H 1.515 . . 830 75 75 ARG HG2 H 1.190 . . 831 75 75 ARG HG3 H 1.190 . . 832 75 75 ARG HD2 H 3.091 . . 833 75 75 ARG HD3 H 3.091 . . 834 75 75 ARG C C 173.883 . . 835 75 75 ARG CA C 56.390 . . 836 75 75 ARG CB C 34.669 . . 837 75 75 ARG CG C 27.411 . . 838 75 75 ARG CD C 43.739 . . 839 75 75 ARG N N 118.582 . . 840 76 76 ARG H H 9.094 . . 841 76 76 ARG HA H 4.609 . . 842 76 76 ARG HB2 H 1.867 . . 843 76 76 ARG HB3 H 1.867 . . 844 76 76 ARG HG2 H 1.164 . . 845 76 76 ARG HG3 H 1.170 . . 846 76 76 ARG HD2 H 3.042 . . 847 76 76 ARG HD3 H 3.042 . . 848 76 76 ARG C C 175.312 . . 849 76 76 ARG CA C 55.810 . . 850 76 76 ARG CB C 31.094 . . 851 76 76 ARG CG C 27.489 . . 852 76 76 ARG CD C 43.504 . . 853 76 76 ARG N N 125.606 . . 854 77 77 LEU H H 8.742 . . 855 77 77 LEU HA H 4.372 . . 856 77 77 LEU HB2 H 1.554 . . 857 77 77 LEU HB3 H 1.515 . . 858 77 77 LEU HG H 1.411 . . 859 77 77 LEU HD1 H 0.773 . . 860 77 77 LEU HD2 H 0.747 . . 861 77 77 LEU C C 176.225 . . 862 77 77 LEU CA C 54.704 . . 863 77 77 LEU CB C 42.292 . . 864 77 77 LEU CG C 25.614 . . 865 77 77 LEU CD1 C 22.567 . . 866 77 77 LEU CD2 C 22.567 . . 867 77 77 LEU N N 128.575 . . 868 78 78 LYS H H 8.090 . . 869 78 78 LYS HA H 4.302 . . 870 78 78 LYS HB2 H 1.763 . . 871 78 78 LYS HB3 H 1.763 . . 872 78 78 LYS HD2 H 1.684 . . 873 78 78 LYS HD3 H 1.684 . . 874 78 78 LYS HE2 H 2.960 . . 875 78 78 LYS HE3 H 2.960 . . 876 78 78 LYS C C 176.296 . . 877 78 78 LYS CA C 56.390 . . 878 78 78 LYS CB C 33.994 . . 879 78 78 LYS CG C 24.520 . . 880 78 78 LYS CD C 29.129 . . 881 78 78 LYS CE C 40.692 . . 882 78 78 LYS N N 119.592 . . 883 79 79 GLY H H 8.520 . . 884 79 79 GLY HA2 H 4.289 . . 885 79 79 GLY HA3 H 3.937 . . 886 79 79 GLY C C 174.328 . . 887 79 79 GLY CA C 44.990 . . 888 79 79 GLY N N 110.854 . . 889 80 80 THR H H 8.348 . . 890 80 80 THR HA H 4.237 . . 891 80 80 THR HB H 4.237 . . 892 80 80 THR HG2 H 1.199 . . 893 80 80 THR C C 175.054 . . 894 80 80 THR CA C 62.242 . . 895 80 80 THR CB C 69.826 . . 896 80 80 THR CG2 C 21.473 . . 897 80 80 THR N N 114.187 . . 898 81 81 SER H H 8.474 . . 899 81 81 SER HA H 4.449 . . 900 81 81 SER HB2 H 3.874 . . 901 81 81 SER HB3 H 3.874 . . 902 81 81 SER C C 174.703 . . 903 81 81 SER CA C 58.481 . . 904 81 81 SER CB C 63.338 . . 905 81 81 SER N N 117.958 . . 906 82 82 ASP HA H 4.280 . . 907 82 82 ASP HB2 H 1.554 . . 908 82 82 ASP HB3 H 1.515 . . 909 82 82 ASP C C 177.115 . . 910 82 82 ASP CA C 55.176 . . 911 82 82 ASP CB C 42.359 . . 912 83 83 ARG H H 8.259 . . 913 83 83 ARG HA H 4.346 . . 914 83 83 ARG HB2 H 1.855 . . 915 83 83 ARG HB3 H 1.854 . . 916 83 83 ARG HG2 H 1.633 . . 917 83 83 ARG HG3 H 1.633 . . 918 83 83 ARG HD2 H 3.182 . . 919 83 83 ARG HD3 H 3.182 . . 920 83 83 ARG C C 176.342 . . 921 83 83 ARG CA C 56.053 . . 922 83 83 ARG CB C 30.891 . . 923 83 83 ARG CG C 27.098 . . 924 83 83 ARG CD C 43.270 . . 925 83 83 ARG N N 121.531 . . 926 84 84 THR H H 8.273 . . 927 84 84 THR HA H 4.333 . . 928 84 84 THR HB H 4.148 . . 929 84 84 THR HG2 H 1.172 . . 930 84 84 THR C C 174.445 . . 931 84 84 THR CA C 62.254 . . 932 84 84 THR CB C 69.833 . . 933 84 84 THR CG2 C 21.707 . . 934 84 84 THR N N 116.462 . . 935 85 85 ILE H H 8.225 . . 936 85 85 ILE HA H 4.188 . . 937 85 85 ILE HB H 1.857 . . 938 85 85 ILE HG12 H 1.449 . . 939 85 85 ILE HG13 H 1.449 . . 940 85 85 ILE HG2 H 0.825 . . 941 85 85 ILE HD1 H 0.825 . . 942 85 85 ILE C C 176.155 . . 943 85 85 ILE CA C 61.112 . . 944 85 85 ILE CB C 38.919 . . 945 85 85 ILE CG1 C 27.254 . . 946 85 85 ILE CG2 C 17.489 . . 947 85 85 ILE CD1 C 12.801 . . 948 85 85 ILE N N 123.762 . . 949 86 86 SER H H 8.377 . . 950 86 86 SER HA H 4.451 . . 951 86 86 SER HB2 H 3.846 . . 952 86 86 SER HB3 H 3.846 . . 953 86 86 SER C C 174.586 . . 954 86 86 SER CA C 58.212 . . 955 86 86 SER CB C 63.271 . . 956 86 86 SER N N 120.214 . . 957 87 87 LYS H H 8.358 . . 958 87 87 LYS HA H 4.279 . . 959 87 87 LYS HB2 H 1.724 . . 960 87 87 LYS HB3 H 1.724 . . 961 87 87 LYS HG2 H 1.383 . . 962 87 87 LYS HG3 H 1.383 . . 963 87 87 LYS HE2 H 2.959 . . 964 87 87 LYS HE3 H 2.959 . . 965 87 87 LYS C C 176.342 . . 966 87 87 LYS CA C 56.390 . . 967 87 87 LYS CB C 32.915 . . 968 87 87 LYS N N 123.707 . . stop_ save_