data_34460 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Cytochrome C from Thioalkalivibrio paradoxus ; _BMRB_accession_number 34460 _BMRB_flat_file_name bmr34460.str _Entry_type original _Submission_date 2019-11-27 _Accession_date 2019-11-27 _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 Bocharov E. V. . 2 Altukhov D. A. . 3 Timofeev V. I. . 4 Dergousova N. I. . 5 Rakitina T. V. . 6 Tikhonova T. V. . 7 Popov V. O. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 272 "13C chemical shifts" 287 "15N chemical shifts" 106 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2020-12-14 original BMRB . stop_ _Original_release_date 2019-12-09 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Cytochrome C from Thioalkalivibrio paradoxus ; _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 Bocharov E. V. . 2 Altukhov D. A. . 3 Timofeev V. I. . 4 Dergousova N. I. . 5 Rakitina T. V. . 6 Tikhonova T. V. . 7 Popov V. O. . stop_ _Journal_abbreviation . _Journal_volume . _Journal_issue . _Journal_CSD 0353 _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 'Cytochrome c, mono-and diheme variants family' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label entity_1 $entity_1 entity_2 $entity_HEC stop_ _System_molecular_weight . _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity_1 _Molecular_mass 16737.066 _Mol_thiol_state 'all other bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 153 _Mol_residue_sequence ; MDIGINSDPHPPHHHDHHGH GSGWEVPEAEIHRENPIPPD ARSLDQGGVLYAEHCVRCHG ETLRGDGPDAHDLDPPVADL VEHAPHHSDGDLAYRVRIGR GPMPGFGDALDERDIWDLVN FMRDRAQGAALAGTNGHSPD HAAGDHHHGDHHH ; loop_ _Residue_seq_code _Residue_label 1 MET 2 ASP 3 ILE 4 GLY 5 ILE 6 ASN 7 SER 8 ASP 9 PRO 10 HIS 11 PRO 12 PRO 13 HIS 14 HIS 15 HIS 16 ASP 17 HIS 18 HIS 19 GLY 20 HIS 21 GLY 22 SER 23 GLY 24 TRP 25 GLU 26 VAL 27 PRO 28 GLU 29 ALA 30 GLU 31 ILE 32 HIS 33 ARG 34 GLU 35 ASN 36 PRO 37 ILE 38 PRO 39 PRO 40 ASP 41 ALA 42 ARG 43 SER 44 LEU 45 ASP 46 GLN 47 GLY 48 GLY 49 VAL 50 LEU 51 TYR 52 ALA 53 GLU 54 HIS 55 CYS 56 VAL 57 ARG 58 CYS 59 HIS 60 GLY 61 GLU 62 THR 63 LEU 64 ARG 65 GLY 66 ASP 67 GLY 68 PRO 69 ASP 70 ALA 71 HIS 72 ASP 73 LEU 74 ASP 75 PRO 76 PRO 77 VAL 78 ALA 79 ASP 80 LEU 81 VAL 82 GLU 83 HIS 84 ALA 85 PRO 86 HIS 87 HIS 88 SER 89 ASP 90 GLY 91 ASP 92 LEU 93 ALA 94 TYR 95 ARG 96 VAL 97 ARG 98 ILE 99 GLY 100 ARG 101 GLY 102 PRO 103 MET 104 PRO 105 GLY 106 PHE 107 GLY 108 ASP 109 ALA 110 LEU 111 ASP 112 GLU 113 ARG 114 ASP 115 ILE 116 TRP 117 ASP 118 LEU 119 VAL 120 ASN 121 PHE 122 MET 123 ARG 124 ASP 125 ARG 126 ALA 127 GLN 128 GLY 129 ALA 130 ALA 131 LEU 132 ALA 133 GLY 134 THR 135 ASN 136 GLY 137 HIS 138 SER 139 PRO 140 ASP 141 HIS 142 ALA 143 ALA 144 GLY 145 ASP 146 HIS 147 HIS 148 HIS 149 GLY 150 ASP 151 HIS 152 HIS 153 HIS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ ############# # Ligands # ############# save_HEC _Saveframe_category ligand _Mol_type "non-polymer (NON-POLYMER)" _Name_common "entity_HEC (HEME C)" _BMRB_code HEC _PDB_code HEC _Molecular_mass 618.503 _Mol_charge 0 _Mol_paramagnetic . _Mol_aromatic yes _Details . loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons FE FE FE . 0 . ? CHA CHA C . 0 . ? CHB CHB C . 0 . ? CHC CHC C . 0 . ? CHD CHD C . 0 . ? NA NA N . 0 . ? C1A C1A C . 0 . ? C2A C2A C . 0 . ? C3A C3A C . 0 . ? C4A C4A C . 0 . ? CMA CMA C . 0 . ? CAA CAA C . 0 . ? CBA CBA C . 0 . ? CGA CGA C . 0 . ? O1A O1A O . 0 . ? O2A O2A O . 0 . ? NB NB N . 0 . ? C1B C1B C . 0 . ? C2B C2B C . 0 . ? C3B C3B C . 0 . ? C4B C4B C . 0 . ? CMB CMB C . 0 . ? CAB CAB C . 0 . ? CBB CBB C . 0 . ? NC NC N . 0 . ? C1C C1C C . 0 . ? C2C C2C C . 0 . ? C3C C3C C . 0 . ? C4C C4C C . 0 . ? CMC CMC C . 0 . ? CAC CAC C . 0 . ? CBC CBC C . 0 . ? ND ND N . 0 . ? C1D C1D C . 0 . ? C2D C2D C . 0 . ? C3D C3D C . 0 . ? C4D C4D C . 0 . ? CMD CMD C . 0 . ? CAD CAD C . 0 . ? CBD CBD C . 0 . ? CGD CGD C . 0 . ? O1D O1D O . 0 . ? O2D O2D O . 0 . ? HHA HHA H . 0 . ? HHB HHB H . 0 . ? HHC HHC H . 0 . ? HHD HHD H . 0 . ? HMA1 HMA1 H . 0 . ? HMA2 HMA2 H . 0 . ? HMA3 HMA3 H . 0 . ? HAA1 HAA1 H . 0 . ? HAA2 HAA2 H . 0 . ? HBA1 HBA1 H . 0 . ? HBA2 HBA2 H . 0 . ? H2A H2A H . 0 . ? HMB1 HMB1 H . 0 . ? HMB2 HMB2 H . 0 . ? HMB3 HMB3 H . 0 . ? HAB HAB H . 0 . ? HBB1 HBB1 H . 0 . ? HBB2 HBB2 H . 0 . ? HBB3 HBB3 H . 0 . ? HMC1 HMC1 H . 0 . ? HMC2 HMC2 H . 0 . ? HMC3 HMC3 H . 0 . ? HAC HAC H . 0 . ? HBC1 HBC1 H . 0 . ? HBC2 HBC2 H . 0 . ? HBC3 HBC3 H . 0 . ? HMD1 HMD1 H . 0 . ? HMD2 HMD2 H . 0 . ? HMD3 HMD3 H . 0 . ? HAD1 HAD1 H . 0 . ? HAD2 HAD2 H . 0 . ? HBD1 HBD1 H . 0 . ? HBD2 HBD2 H . 0 . ? H2D H2D H . 0 . ? stop_ loop_ _Bond_order _Bond_atom_one_atom_name _Bond_atom_two_atom_name _PDB_bond_atom_one_atom_name _PDB_bond_atom_two_atom_name SING FE NA ? ? SING FE NB ? ? SING FE NC ? ? SING FE ND ? ? DOUB CHA C1A ? ? SING CHA C4D ? ? SING CHA HHA ? ? DOUB CHB C4A ? ? SING CHB C1B ? ? SING CHB HHB ? ? DOUB CHC C4B ? ? SING CHC C1C ? ? SING CHC HHC ? ? DOUB CHD C4C ? ? SING CHD C1D ? ? SING CHD HHD ? ? SING NA C1A ? ? SING NA C4A ? ? SING C1A C2A ? ? DOUB C2A C3A ? ? SING C2A CAA ? ? SING C3A C4A ? ? SING C3A CMA ? ? SING CMA HMA1 ? ? SING CMA HMA2 ? ? SING CMA HMA3 ? ? SING CAA CBA ? ? SING CAA HAA1 ? ? SING CAA HAA2 ? ? SING CBA CGA ? ? SING CBA HBA1 ? ? SING CBA HBA2 ? ? DOUB CGA O1A ? ? SING CGA O2A ? ? SING O2A H2A ? ? SING NB C1B ? ? SING NB C4B ? ? DOUB C1B C2B ? ? SING C2B C3B ? ? SING C2B CMB ? ? SING C3B C4B ? ? DOUB C3B CAB ? ? SING CMB HMB1 ? ? SING CMB HMB2 ? ? SING CMB HMB3 ? ? SING CAB CBB ? ? SING CAB HAB ? ? SING CBB HBB1 ? ? SING CBB HBB2 ? ? SING CBB HBB3 ? ? SING NC C1C ? ? SING NC C4C ? ? DOUB C1C C2C ? ? SING C2C C3C ? ? SING C2C CMC ? ? SING C3C C4C ? ? DOUB C3C CAC ? ? SING CMC HMC1 ? ? SING CMC HMC2 ? ? SING CMC HMC3 ? ? SING CAC CBC ? ? SING CAC HAC ? ? SING CBC HBC1 ? ? SING CBC HBC2 ? ? SING CBC HBC3 ? ? SING ND C1D ? ? SING ND C4D ? ? DOUB C1D C2D ? ? SING C2D C3D ? ? SING C2D CMD ? ? DOUB C3D C4D ? ? SING C3D CAD ? ? SING CMD HMD1 ? ? SING CMD HMD2 ? ? SING CMD HMD3 ? ? SING CAD CBD ? ? SING CAD HAD1 ? ? SING CAD HAD2 ? ? SING CBD CGD ? ? SING CBD HBD1 ? ? SING CBD HBD2 ? ? DOUB CGD O1D ? ? SING CGD O2D ? ? SING O2D H2D ? ? stop_ _Mol_thiol_state . _Sequence_homology_query_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Gene_mnemonic $entity_1 'Thioalkalivibrio nitratireducens DSM 14787' 1255043 Bacteria . Thioalkalivibrio nitratireducens TVNIR_2751 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 $entity_1 'recombinant technology' . Thioalkalivibrio paradoxus . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '5 % [U-2H] D2O, 95% H2O/5% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 . mM . D2O 5 % [U-2H] stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name GROMACS _Version . loop_ _Vendor _Address _Electronic_address "Herman Berendsen's group, department of Biophysical Chemistry of Groningen University" . . stop_ loop_ _Task refinement stop_ _Details . save_ save_software_2 _Saveframe_category software _Name TALOS+ _Version . loop_ _Vendor _Address _Electronic_address 'Cornilescu, Delaglio and Bax' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Agilent _Model 'Uniform NMR System' _Field_strength 700 _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-15N_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 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' 0.375 . M pH 6.7 . pH pressure 1 . atm temperature 303 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_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 0.000 internal indirect . . . 0.25144953 DSS N 15 'methyl protons' ppm 0.000 internal indirect . . . 0.10132912 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_ _Experiment_label '2D 1H-15N HSQC' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chem_shift_reference_1 _Mol_system_component_name entity_1 _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 3 3 ILE H H 8.200 0.020 . 2 3 3 ILE HA H 4.223 0.020 . 3 3 3 ILE HB H 1.848 0.020 . 4 3 3 ILE C C 173.963 0.400 . 5 3 3 ILE CA C 59.641 0.400 . 6 3 3 ILE CB C 37.005 0.400 . 7 3 3 ILE N N 121.016 0.400 . 8 4 4 GLY H H 8.432 0.020 . 9 4 4 GLY HA2 H 3.992 0.020 . 10 4 4 GLY HA3 H 3.786 0.020 . 11 4 4 GLY C C 171.460 0.400 . 12 4 4 GLY CA C 43.667 0.400 . 13 4 4 GLY N N 112.321 0.400 . 14 5 5 ILE H H 7.884 0.020 . 15 5 5 ILE HA H 4.146 0.020 . 16 5 5 ILE HB H 1.784 0.020 . 17 5 5 ILE C C 173.319 0.400 . 18 5 5 ILE CA C 59.420 0.400 . 19 5 5 ILE CB C 37.005 0.400 . 20 5 5 ILE N N 119.504 0.400 . 21 6 6 ASN H H 8.468 0.020 . 22 6 6 ASN CB C 37.575 0.400 . 23 6 6 ASN N N 122.366 0.400 . 24 24 24 TRP H H 8.399 0.020 . 25 24 24 TRP HA H 4.480 0.020 . 26 24 24 TRP HB2 H 2.671 0.020 . 27 24 24 TRP HB3 H 2.671 0.020 . 28 24 24 TRP C C 173.246 0.400 . 29 24 24 TRP CA C 55.812 0.400 . 30 24 24 TRP CB C 27.689 0.400 . 31 24 24 TRP N N 122.515 0.400 . 32 25 25 GLU H H 8.952 0.020 . 33 25 25 GLU HA H 4.394 0.020 . 34 25 25 GLU C C 172.280 0.400 . 35 25 25 GLU CA C 54.160 0.400 . 36 25 25 GLU CB C 27.916 0.400 . 37 25 25 GLU N N 125.501 0.400 . 38 26 26 VAL H H 8.226 0.020 . 39 26 26 VAL HA H 4.124 0.020 . 40 26 26 VAL HB H 1.706 0.020 . 41 26 26 VAL HG1 H 0.845 0.020 . 42 26 26 VAL HG2 H 0.549 0.020 . 43 26 26 VAL C C 171.050 0.400 . 44 26 26 VAL CA C 58.043 0.400 . 45 26 26 VAL CB C 32.216 0.400 . 46 26 26 VAL N N 125.705 0.400 . 47 28 28 GLU H H 8.833 0.020 . 48 28 28 GLU C C 175.149 0.400 . 49 28 28 GLU CA C 58.429 0.400 . 50 28 28 GLU CB C 27.861 0.400 . 51 28 28 GLU N N 126.248 0.400 . 52 29 29 ALA H H 8.649 0.020 . 53 29 29 ALA HA H 4.124 0.020 . 54 29 29 ALA C C 177.624 0.400 . 55 29 29 ALA CA C 52.976 0.400 . 56 29 29 ALA CB C 16.834 0.400 . 57 29 29 ALA N N 117.450 0.400 . 58 30 30 GLU H H 7.221 0.020 . 59 30 30 GLU HA H 4.150 0.020 . 60 30 30 GLU C C 175.325 0.400 . 61 30 30 GLU CA C 55.124 0.400 . 62 30 30 GLU CB C 26.483 0.400 . 63 30 30 GLU N N 112.559 0.400 . 64 31 31 ILE H H 7.267 0.020 . 65 31 31 ILE HA H 3.134 0.020 . 66 31 31 ILE C C 176.159 0.400 . 67 31 31 ILE CA C 63.138 0.400 . 68 31 31 ILE CB C 36.020 0.400 . 69 31 31 ILE N N 117.790 0.400 . 70 32 32 HIS H H 7.207 0.020 . 71 32 32 HIS HA H 4.549 0.020 . 72 32 32 HIS C C 171.504 0.400 . 73 32 32 HIS CA C 53.885 0.400 . 74 32 32 HIS CB C 28.302 0.400 . 75 32 32 HIS N N 114.175 0.400 . 76 33 33 ARG H H 7.094 0.020 . 77 33 33 ARG HA H 4.021 0.020 . 78 33 33 ARG C C 172.895 0.400 . 79 33 33 ARG CA C 55.840 0.400 . 80 33 33 ARG CB C 28.964 0.400 . 81 33 33 ARG N N 123.694 0.400 . 82 34 34 GLU H H 8.506 0.020 . 83 34 34 GLU HA H 3.931 0.020 . 84 34 34 GLU C C 171.972 0.400 . 85 34 34 GLU CA C 54.270 0.400 . 86 34 34 GLU CB C 28.782 0.400 . 87 34 34 GLU N N 127.489 0.400 . 88 35 35 ASN H H 8.239 0.020 . 89 35 35 ASN HA H 2.388 0.020 . 90 35 35 ASN CA C 46.724 0.400 . 91 35 35 ASN CB C 37.874 0.400 . 92 35 35 ASN N N 122.193 0.400 . 93 40 40 ASP H H 8.188 0.020 . 94 40 40 ASP HA H 4.352 0.020 . 95 40 40 ASP C C 172.075 0.400 . 96 40 40 ASP CA C 50.056 0.400 . 97 40 40 ASP CB C 39.439 0.400 . 98 40 40 ASP N N 123.041 0.400 . 99 41 41 ALA H H 8.011 0.020 . 100 41 41 ALA HA H 3.850 0.020 . 101 41 41 ALA HB H 1.285 0.020 . 102 41 41 ALA C C 177.111 0.400 . 103 41 41 ALA CA C 53.802 0.400 . 104 41 41 ALA CB C 16.173 0.400 . 105 41 41 ALA N N 119.285 0.400 . 106 42 42 ARG H H 7.551 0.020 . 107 42 42 ARG HA H 3.760 0.020 . 108 42 42 ARG C C 175.764 0.400 . 109 42 42 ARG CA C 57.685 0.400 . 110 42 42 ARG CB C 25.821 0.400 . 111 42 42 ARG N N 116.873 0.400 . 112 43 43 SER H H 7.874 0.020 . 113 43 43 SER HA H 3.722 0.020 . 114 43 43 SER C C 174.754 0.400 . 115 43 43 SER CA C 59.365 0.400 . 116 43 43 SER CB C 63.366 0.400 . 117 43 43 SER N N 113.692 0.400 . 118 44 44 LEU H H 8.203 0.020 . 119 44 44 LEU HA H 3.863 0.020 . 120 44 44 LEU HB2 H 1.671 0.020 . 121 44 44 LEU HB3 H 1.671 0.020 . 122 44 44 LEU C C 178.180 0.400 . 123 44 44 LEU CA C 56.363 0.400 . 124 44 44 LEU CB C 39.108 0.400 . 125 44 44 LEU N N 114.863 0.400 . 126 45 45 ASP H H 8.275 0.020 . 127 45 45 ASP HA H 4.365 0.020 . 128 45 45 ASP HB2 H 2.642 0.020 . 129 45 45 ASP HB3 H 2.642 0.020 . 130 45 45 ASP C C 175.925 0.400 . 131 45 45 ASP CA C 55.454 0.400 . 132 45 45 ASP N N 120.986 0.400 . 133 46 46 GLN H H 8.491 0.020 . 134 46 46 GLN HA H 4.056 0.020 . 135 46 46 GLN C C 176.364 0.400 . 136 46 46 GLN CA C 56.336 0.400 . 137 46 46 GLN CB C 25.711 0.400 . 138 46 46 GLN N N 120.640 0.400 . 139 47 47 GLY H H 9.212 0.020 . 140 47 47 GLY HA2 H 3.362 0.020 . 141 47 47 GLY HA3 H 3.362 0.020 . 142 47 47 GLY C C 171.562 0.400 . 143 47 47 GLY CA C 45.016 0.400 . 144 47 47 GLY N N 107.615 0.400 . 145 48 48 GLY H H 7.557 0.020 . 146 48 48 GLY HA2 H 3.323 0.020 . 147 48 48 GLY HA3 H 2.263 0.020 . 148 48 48 GLY C C 174.227 0.400 . 149 48 48 GLY N N 108.210 0.400 . 150 49 49 VAL H H 7.660 0.020 . 151 49 49 VAL HA H 3.473 0.020 . 152 49 49 VAL HB H 1.967 0.020 . 153 49 49 VAL HG1 H 0.809 0.020 . 154 49 49 VAL HG2 H 0.809 0.020 . 155 49 49 VAL C C 176.525 0.400 . 156 49 49 VAL CA C 64.543 0.400 . 157 49 49 VAL CB C 29.956 0.400 . 158 49 49 VAL N N 125.391 0.400 . 159 50 50 LEU H H 8.172 0.020 . 160 50 50 LEU HA H 4.027 0.020 . 161 50 50 LEU C C 175.706 0.400 . 162 50 50 LEU CA C 55.386 0.400 . 163 50 50 LEU CB C 41.313 0.400 . 164 50 50 LEU N N 120.694 0.400 . 165 51 51 TYR H H 8.186 0.020 . 166 51 51 TYR HA H 4.072 0.020 . 167 51 51 TYR CA C 59.915 0.400 . 168 51 51 TYR CB C 37.289 0.400 . 169 51 51 TYR N N 120.849 0.400 . 170 52 52 ALA H H 7.671 0.020 . 171 52 52 ALA HA H 3.864 0.020 . 172 52 52 ALA HB H 1.420 0.020 . 173 52 52 ALA C C 175.545 0.400 . 174 52 52 ALA CA C 52.618 0.400 . 175 52 52 ALA CB C 16.118 0.400 . 176 52 52 ALA N N 122.821 0.400 . 177 53 53 GLU H H 7.352 0.020 . 178 53 53 GLU HA H 3.789 0.020 . 179 53 53 GLU C C 175.676 0.400 . 180 53 53 GLU CA C 56.666 0.400 . 181 53 53 GLU CB C 28.522 0.400 . 182 53 53 GLU N N 116.632 0.400 . 183 54 54 HIS H H 7.782 0.020 . 184 54 54 HIS HA H 4.497 0.020 . 185 54 54 HIS C C 174.578 0.400 . 186 54 54 HIS CA C 56.005 0.400 . 187 54 54 HIS CB C 32.492 0.400 . 188 54 54 HIS N N 111.439 0.400 . 189 55 55 CYS H H 7.471 0.020 . 190 55 55 CYS HA H 3.769 0.020 . 191 55 55 CYS C C 175.266 0.400 . 192 55 55 CYS CA C 52.563 0.400 . 193 55 55 CYS CB C 34.367 0.400 . 194 55 55 CYS N N 115.435 0.400 . 195 56 56 VAL H H 7.421 0.020 . 196 56 56 VAL HA H 3.869 0.020 . 197 56 56 VAL C C 173.934 0.400 . 198 56 56 VAL CA C 63.827 0.400 . 199 56 56 VAL CB C 30.287 0.400 . 200 56 56 VAL N N 124.244 0.400 . 201 57 57 ARG H H 8.488 0.020 . 202 57 57 ARG HA H 4.364 0.020 . 203 57 57 ARG C C 172.836 0.400 . 204 57 57 ARG CA C 56.721 0.400 . 205 57 57 ARG CB C 25.986 0.400 . 206 57 57 ARG N N 118.543 0.400 . 207 58 58 CYS H H 7.454 0.020 . 208 58 58 CYS HA H 5.656 0.020 . 209 58 58 CYS C C 173.290 0.400 . 210 58 58 CYS CA C 54.325 0.400 . 211 58 58 CYS CB C 41.699 0.400 . 212 58 58 CYS N N 113.819 0.400 . 213 59 59 HIS H H 10.307 0.020 . 214 59 59 HIS CA C 52.260 0.400 . 215 59 59 HIS N N 115.220 0.400 . 216 60 60 GLY H H 9.652 0.020 . 217 60 60 GLY HA2 H 5.489 0.020 . 218 60 60 GLY HA3 H 4.740 0.020 . 219 60 60 GLY C C 174.769 0.400 . 220 60 60 GLY CA C 43.997 0.400 . 221 60 60 GLY N N 109.043 0.400 . 222 61 61 GLU H H 10.001 0.020 . 223 61 61 GLU HA H 4.543 0.020 . 224 61 61 GLU CA C 58.515 0.400 . 225 61 61 GLU N N 125.680 0.400 . 226 62 62 THR H H 9.063 0.020 . 227 62 62 THR HA H 4.574 0.020 . 228 62 62 THR C C 171.943 0.400 . 229 62 62 THR CA C 59.420 0.400 . 230 62 62 THR CB C 67.391 0.400 . 231 62 62 THR N N 106.723 0.400 . 232 63 63 LEU H H 8.099 0.020 . 233 63 63 LEU HA H 5.323 0.020 . 234 63 63 LEU C C 175.609 0.400 . 235 63 63 LEU CA C 59.861 0.400 . 236 63 63 LEU CB C 36.131 0.400 . 237 63 63 LEU N N 114.608 0.400 . 238 64 64 ARG H H 9.209 0.020 . 239 64 64 ARG HA H 5.439 0.020 . 240 64 64 ARG HB2 H 2.527 0.020 . 241 64 64 ARG HB3 H 2.527 0.020 . 242 64 64 ARG HG2 H 2.168 0.020 . 243 64 64 ARG HG3 H 2.168 0.020 . 244 64 64 ARG HD2 H 4.288 0.020 . 245 64 64 ARG HD3 H 4.288 0.020 . 246 64 64 ARG C C 175.340 0.400 . 247 64 64 ARG CA C 55.454 0.400 . 248 64 64 ARG CB C 28.192 0.400 . 249 64 64 ARG N N 116.871 0.400 . 250 65 65 GLY H H 10.450 0.020 . 251 65 65 GLY HA2 H 4.973 0.020 . 252 65 65 GLY HA3 H 4.973 0.020 . 253 65 65 GLY C C 170.933 0.400 . 254 65 65 GLY CA C 45.843 0.400 . 255 65 65 GLY N N 108.463 0.400 . 256 66 66 ASP H H 8.620 0.020 . 257 66 66 ASP HA H 4.840 0.020 . 258 66 66 ASP C C 174.783 0.400 . 259 66 66 ASP CA C 50.938 0.400 . 260 66 66 ASP CB C 38.336 0.400 . 261 66 66 ASP N N 117.584 0.400 . 262 67 67 GLY H H 7.678 0.020 . 263 67 67 GLY HA2 H 4.491 0.020 . 264 67 67 GLY HA3 H 3.742 0.020 . 265 67 67 GLY C C 170.098 0.400 . 266 67 67 GLY CA C 43.171 0.400 . 267 67 67 GLY N N 104.676 0.400 . 268 69 69 ASP H H 8.567 0.020 . 269 69 69 ASP HA H 4.639 0.020 . 270 69 69 ASP HB2 H 2.607 0.020 . 271 69 69 ASP HB3 H 2.169 0.020 . 272 69 69 ASP C C 173.100 0.400 . 273 69 69 ASP CA C 52.425 0.400 . 274 69 69 ASP CB C 39.282 0.400 . 275 69 69 ASP N N 116.090 0.400 . 276 70 70 ALA H H 7.660 0.020 . 277 70 70 ALA HA H 3.340 0.020 . 278 70 70 ALA HB H 1.256 0.020 . 279 70 70 ALA C C 175.621 0.400 . 280 70 70 ALA CA C 51.406 0.400 . 281 70 70 ALA CB C 17.800 0.400 . 282 70 70 ALA N N 120.464 0.400 . 283 71 71 HIS H H 7.099 0.020 . 284 71 71 HIS C C 171.612 0.400 . 285 71 71 HIS CA C 55.518 0.400 . 286 71 71 HIS CB C 27.541 0.400 . 287 71 71 HIS N N 114.862 0.400 . 288 72 72 ASP H H 8.203 0.020 . 289 72 72 ASP HA H 4.034 0.020 . 290 72 72 ASP HB2 H 2.440 0.020 . 291 72 72 ASP HB3 H 2.440 0.020 . 292 72 72 ASP C C 172.075 0.400 . 293 72 72 ASP CA C 53.224 0.400 . 294 72 72 ASP CB C 37.950 0.400 . 295 72 72 ASP N N 116.202 0.400 . 296 73 73 LEU H H 6.666 0.020 . 297 73 73 LEU HA H 3.658 0.020 . 298 73 73 LEU C C 171.972 0.400 . 299 73 73 LEU CA C 52.866 0.400 . 300 73 73 LEU CB C 39.439 0.400 . 301 73 73 LEU N N 118.921 0.400 . 302 74 74 ASP H H 7.212 0.020 . 303 74 74 ASP HA H 3.824 0.020 . 304 74 74 ASP HB2 H 2.157 0.020 . 305 74 74 ASP HB3 H 1.912 0.020 . 306 74 74 ASP C C 170.303 0.400 . 307 74 74 ASP CA C 49.010 0.400 . 308 74 74 ASP CB C 42.085 0.400 . 309 74 74 ASP N N 120.864 0.400 . 310 79 79 ASP H H 9.305 0.020 . 311 79 79 ASP HA H 5.535 0.020 . 312 79 79 ASP HB2 H 4.664 0.020 . 313 79 79 ASP HB3 H 4.664 0.020 . 314 79 79 ASP C C 175.398 0.400 . 315 79 79 ASP CA C 53.224 0.400 . 316 79 79 ASP CB C 39.659 0.400 . 317 79 79 ASP N N 123.238 0.400 . 318 80 80 LEU H H 10.188 0.020 . 319 80 80 LEU HA H 5.072 0.020 . 320 80 80 LEU C C 176.833 0.400 . 321 80 80 LEU CA C 56.529 0.400 . 322 80 80 LEU CB C 42.306 0.400 . 323 80 80 LEU N N 126.792 0.400 . 324 81 81 VAL H H 8.781 0.020 . 325 81 81 VAL HA H 3.696 0.020 . 326 81 81 VAL HB H 2.607 0.020 . 327 81 81 VAL HG1 H 1.256 0.020 . 328 81 81 VAL HG2 H 1.063 0.020 . 329 81 81 VAL C C 175.032 0.400 . 330 81 81 VAL CA C 65.176 0.400 . 331 81 81 VAL CB C 29.901 0.400 . 332 81 81 VAL N N 121.265 0.400 . 333 82 82 GLU H H 7.832 0.020 . 334 82 82 GLU HA H 4.197 0.020 . 335 82 82 GLU C C 176.072 0.400 . 336 82 82 GLU CA C 56.281 0.400 . 337 82 82 GLU CB C 28.467 0.400 . 338 82 82 GLU N N 117.866 0.400 . 339 83 83 HIS H H 8.168 0.020 . 340 83 83 HIS HA H 4.635 0.020 . 341 83 83 HIS HB2 H 3.314 0.020 . 342 83 83 HIS HB3 H 3.314 0.020 . 343 83 83 HIS C C 174.622 0.400 . 344 83 83 HIS CA C 57.245 0.400 . 345 83 83 HIS CB C 30.176 0.400 . 346 83 83 HIS N N 112.544 0.400 . 347 84 84 ALA H H 8.730 0.020 . 348 84 84 ALA HA H 4.339 0.020 . 349 84 84 ALA HB H 1.462 0.020 . 350 84 84 ALA C C 173.509 0.400 . 351 84 84 ALA CA C 55.950 0.400 . 352 84 84 ALA CB C 13.637 0.400 . 353 84 84 ALA N N 122.366 0.400 . 354 86 86 HIS H H 7.395 0.020 . 355 86 86 HIS HA H 4.419 0.020 . 356 86 86 HIS C C 171.533 0.400 . 357 86 86 HIS CA C 53.554 0.400 . 358 86 86 HIS CB C 28.467 0.400 . 359 86 86 HIS N N 112.393 0.400 . 360 87 87 HIS H H 7.770 0.020 . 361 87 87 HIS HA H 5.174 0.020 . 362 87 87 HIS C C 171.972 0.400 . 363 87 87 HIS CA C 52.012 0.400 . 364 87 87 HIS CB C 31.500 0.400 . 365 87 87 HIS N N 116.721 0.400 . 366 88 88 SER H H 9.708 0.020 . 367 88 88 SER HA H 4.517 0.020 . 368 88 88 SER C C 171.884 0.400 . 369 88 88 SER CA C 55.702 0.400 . 370 88 88 SER N N 120.952 0.400 . 371 89 89 ASP H H 9.378 0.020 . 372 89 89 ASP HA H 4.207 0.020 . 373 89 89 ASP C C 175.354 0.400 . 374 89 89 ASP CA C 56.556 0.400 . 375 89 89 ASP CB C 38.446 0.400 . 376 89 89 ASP N N 121.415 0.400 . 377 90 90 GLY H H 9.028 0.020 . 378 90 90 GLY HA2 H 4.494 0.020 . 379 90 90 GLY HA3 H 3.799 0.020 . 380 90 90 GLY C C 173.817 0.400 . 381 90 90 GLY CA C 45.705 0.400 . 382 90 90 GLY N N 107.236 0.400 . 383 91 91 ASP H H 7.602 0.020 . 384 91 91 ASP HA H 3.988 0.020 . 385 91 91 ASP C C 174.388 0.400 . 386 91 91 ASP CA C 54.573 0.400 . 387 91 91 ASP CB C 41.038 0.400 . 388 91 91 ASP N N 122.554 0.400 . 389 92 92 LEU H H 7.914 0.020 . 390 92 92 LEU HA H 3.309 0.020 . 391 92 92 LEU C C 175.354 0.400 . 392 92 92 LEU CA C 56.529 0.400 . 393 92 92 LEU CB C 40.762 0.400 . 394 92 92 LEU N N 114.875 0.400 . 395 93 93 ALA H H 8.247 0.020 . 396 93 93 ALA HA H 2.576 0.020 . 397 93 93 ALA C C 175.779 0.400 . 398 93 93 ALA CA C 53.031 0.400 . 399 93 93 ALA CB C 16.173 0.400 . 400 93 93 ALA N N 118.320 0.400 . 401 94 94 TYR H H 7.631 0.020 . 402 94 94 TYR HA H 3.747 0.020 . 403 94 94 TYR C C 174.417 0.400 . 404 94 94 TYR CA C 60.412 0.400 . 405 94 94 TYR CB C 36.682 0.400 . 406 94 94 TYR N N 118.860 0.400 . 407 95 95 ARG H H 7.875 0.020 . 408 95 95 ARG HA H 4.351 0.020 . 409 95 95 ARG C C 176.145 0.400 . 410 95 95 ARG CA C 58.291 0.400 . 411 95 95 ARG CB C 27.640 0.400 . 412 95 95 ARG N N 117.408 0.400 . 413 96 96 VAL H H 6.847 0.020 . 414 96 96 VAL HA H 2.380 0.020 . 415 96 96 VAL C C 173.334 0.400 . 416 96 96 VAL CA C 63.662 0.400 . 417 96 96 VAL CB C 28.302 0.400 . 418 96 96 VAL N N 114.791 0.400 . 419 97 97 ARG H H 8.397 0.020 . 420 97 97 ARG HA H 4.411 0.020 . 421 97 97 ARG C C 175.296 0.400 . 422 97 97 ARG CA C 58.346 0.400 . 423 97 97 ARG CB C 30.066 0.400 . 424 97 97 ARG N N 119.881 0.400 . 425 98 98 ILE H H 8.869 0.020 . 426 98 98 ILE HA H 4.532 0.020 . 427 98 98 ILE HB H 1.964 0.020 . 428 98 98 ILE C C 176.072 0.400 . 429 98 98 ILE CA C 59.145 0.400 . 430 98 98 ILE CB C 36.627 0.400 . 431 98 98 ILE N N 117.250 0.400 . 432 99 99 GLY H H 8.781 0.020 . 433 99 99 GLY C C 170.406 0.400 . 434 99 99 GLY CA C 44.465 0.400 . 435 99 99 GLY N N 109.154 0.400 . 436 100 100 ARG H H 10.879 0.020 . 437 100 100 ARG C C 174.490 0.400 . 438 100 100 ARG CA C 57.134 0.400 . 439 100 100 ARG N N 116.692 0.400 . 440 105 105 GLY H H 9.259 0.020 . 441 105 105 GLY HA2 H 5.831 0.020 . 442 105 105 GLY HA3 H 4.146 0.020 . 443 105 105 GLY CA C 43.667 0.400 . 444 105 105 GLY N N 103.356 0.400 . 445 106 106 PHE H H 9.289 0.020 . 446 106 106 PHE HA H 4.673 0.020 . 447 106 106 PHE C C 173.934 0.400 . 448 106 106 PHE CA C 57.658 0.400 . 449 106 106 PHE CB C 37.178 0.400 . 450 106 106 PHE N N 120.037 0.400 . 451 107 107 GLY H H 9.459 0.020 . 452 107 107 GLY HA2 H 3.876 0.020 . 453 107 107 GLY HA3 H 3.876 0.020 . 454 107 107 GLY C C 170.816 0.400 . 455 107 107 GLY CA C 45.512 0.400 . 456 107 107 GLY N N 110.314 0.400 . 457 108 108 ASP H H 8.312 0.020 . 458 108 108 ASP HA H 4.815 0.020 . 459 108 108 ASP HB2 H 2.671 0.020 . 460 108 108 ASP HB3 H 2.671 0.020 . 461 108 108 ASP C C 173.466 0.400 . 462 108 108 ASP CA C 53.141 0.400 . 463 108 108 ASP CB C 38.832 0.400 . 464 108 108 ASP N N 116.090 0.400 . 465 109 109 ALA H H 7.496 0.020 . 466 109 109 ALA HA H 4.390 0.020 . 467 109 109 ALA HB H 1.308 0.020 . 468 109 109 ALA C C 173.714 0.400 . 469 109 109 ALA CA C 51.186 0.400 . 470 109 109 ALA CB C 19.260 0.400 . 471 109 109 ALA N N 121.883 0.400 . 472 110 110 LEU H H 7.666 0.020 . 473 110 110 LEU HA H 4.493 0.020 . 474 110 110 LEU C C 173.187 0.400 . 475 110 110 LEU CB C 41.313 0.400 . 476 110 110 LEU N N 117.815 0.400 . 477 111 111 ASP H H 8.608 0.020 . 478 111 111 ASP HA H 4.506 0.020 . 479 111 111 ASP HB2 H 2.581 0.020 . 480 111 111 ASP HB3 H 2.581 0.020 . 481 111 111 ASP C C 173.773 0.400 . 482 111 111 ASP CB C 40.652 0.400 . 483 111 111 ASP N N 120.952 0.400 . 484 112 112 GLU H H 8.287 0.020 . 485 112 112 GLU HA H 4.530 0.020 . 486 112 112 GLU C C 175.574 0.400 . 487 112 112 GLU CA C 58.484 0.400 . 488 112 112 GLU CB C 27.806 0.400 . 489 112 112 GLU N N 120.075 0.400 . 490 113 113 ARG H H 8.350 0.020 . 491 113 113 ARG HA H 3.863 0.020 . 492 113 113 ARG C C 173.978 0.400 . 493 113 113 ARG CB C 28.412 0.400 . 494 113 113 ARG N N 117.963 0.400 . 495 114 114 ASP H H 7.128 0.020 . 496 114 114 ASP HA H 3.722 0.020 . 497 114 114 ASP HB2 H 2.967 0.020 . 498 114 114 ASP HB3 H 2.967 0.020 . 499 114 114 ASP C C 174.769 0.400 . 500 114 114 ASP CA C 55.096 0.400 . 501 114 114 ASP CB C 40.100 0.400 . 502 114 114 ASP N N 116.059 0.400 . 503 115 115 ILE H H 6.942 0.020 . 504 115 115 ILE HA H 2.731 0.020 . 505 115 115 ILE C C 174.593 0.400 . 506 115 115 ILE CA C 62.835 0.400 . 507 115 115 ILE CB C 33.705 0.400 . 508 115 115 ILE N N 116.892 0.400 . 509 116 116 TRP H H 7.367 0.020 . 510 116 116 TRP HA H 4.326 0.020 . 511 116 116 TRP C C 175.588 0.400 . 512 116 116 TRP CA C 57.823 0.400 . 513 116 116 TRP CB C 27.640 0.400 . 514 116 116 TRP N N 119.723 0.400 . 515 117 117 ASP H H 8.670 0.020 . 516 117 117 ASP HA H 4.146 0.020 . 517 117 117 ASP C C 176.525 0.400 . 518 117 117 ASP CA C 56.253 0.400 . 519 117 117 ASP CB C 37.730 0.400 . 520 117 117 ASP N N 120.483 0.400 . 521 118 118 LEU H H 7.514 0.020 . 522 118 118 LEU HA H 3.387 0.020 . 523 118 118 LEU C C 175.911 0.400 . 524 118 118 LEU CA C 56.584 0.400 . 525 118 118 LEU CB C 40.321 0.400 . 526 118 118 LEU N N 120.609 0.400 . 527 119 119 VAL H H 7.798 0.020 . 528 119 119 VAL HA H 2.757 0.020 . 529 119 119 VAL C C 173.890 0.400 . 530 119 119 VAL CA C 66.030 0.400 . 531 119 119 VAL CB C 29.129 0.400 . 532 119 119 VAL N N 121.047 0.400 . 533 120 120 ASN H H 8.582 0.020 . 534 120 120 ASN HA H 4.069 0.020 . 535 120 120 ASN C C 175.779 0.400 . 536 120 120 ASN CA C 53.995 0.400 . 537 120 120 ASN CB C 34.587 0.400 . 538 120 120 ASN N N 119.435 0.400 . 539 121 121 PHE H H 8.500 0.020 . 540 121 121 PHE HA H 3.992 0.020 . 541 121 121 PHE C C 173.173 0.400 . 542 121 121 PHE CA C 60.192 0.400 . 543 121 121 PHE CB C 37.895 0.400 . 544 121 121 PHE N N 122.130 0.400 . 545 122 122 MET H H 8.359 0.020 . 546 122 122 MET HA H 3.207 0.020 . 547 122 122 MET C C 175.222 0.400 . 548 122 122 MET CA C 58.511 0.400 . 549 122 122 MET CB C 32.437 0.400 . 550 122 122 MET N N 118.811 0.400 . 551 123 123 ARG H H 8.426 0.020 . 552 123 123 ARG HA H 3.696 0.020 . 553 123 123 ARG C C 175.837 0.400 . 554 123 123 ARG CA C 56.969 0.400 . 555 123 123 ARG CB C 27.034 0.400 . 556 123 123 ARG N N 117.272 0.400 . 557 124 124 ASP H H 7.703 0.020 . 558 124 124 ASP HA H 4.056 0.020 . 559 124 124 ASP HB2 H 2.452 0.020 . 560 124 124 ASP HB3 H 2.452 0.020 . 561 124 124 ASP CA C 56.088 0.400 . 562 124 124 ASP CB C 42.306 0.400 . 563 124 124 ASP N N 119.237 0.400 . 564 125 125 ARG H H 7.814 0.020 . 565 125 125 ARG HA H 3.902 0.020 . 566 125 125 ARG C C 176.145 0.400 . 567 125 125 ARG CA C 54.683 0.400 . 568 125 125 ARG CB C 28.357 0.400 . 569 125 125 ARG N N 115.932 0.400 . 570 126 126 ALA H H 8.174 0.020 . 571 126 126 ALA HA H 4.262 0.020 . 572 126 126 ALA C C 175.954 0.400 . 573 126 126 ALA CA C 52.452 0.400 . 574 126 126 ALA CB C 17.055 0.400 . 575 126 126 ALA N N 121.025 0.400 . 576 127 127 GLN H H 7.853 0.020 . 577 127 127 GLN HA H 4.210 0.020 . 578 127 127 GLN C C 174.886 0.400 . 579 127 127 GLN CA C 55.620 0.400 . 580 127 127 GLN CB C 27.420 0.400 . 581 127 127 GLN N N 117.001 0.400 . 582 128 128 GLY H H 8.082 0.020 . 583 128 128 GLY HA2 H 3.902 0.020 . 584 128 128 GLY HA3 H 3.902 0.020 . 585 128 128 GLY C C 172.236 0.400 . 586 128 128 GLY CA C 44.383 0.400 . 587 128 128 GLY N N 108.002 0.400 . 588 129 129 ALA H H 7.861 0.020 . 589 129 129 ALA HA H 4.288 0.020 . 590 129 129 ALA HB H 1.436 0.020 . 591 129 129 ALA C C 175.588 0.400 . 592 129 129 ALA CA C 51.516 0.400 . 593 129 129 ALA CB C 17.496 0.400 . 594 129 129 ALA N N 123.371 0.400 . 595 130 130 ALA H H 7.937 0.020 . 596 130 130 ALA HA H 4.197 0.020 . 597 130 130 ALA HB H 1.398 0.020 . 598 130 130 ALA C C 175.666 0.400 . 599 130 130 ALA CA C 51.268 0.400 . 600 130 130 ALA CB C 17.055 0.400 . 601 130 130 ALA N N 121.718 0.400 . 602 131 131 LEU H H 7.945 0.020 . 603 131 131 LEU HA H 4.262 0.020 . 604 131 131 LEU C C 174.783 0.400 . 605 131 131 LEU CA C 53.609 0.400 . 606 131 131 LEU CB C 40.486 0.400 . 607 131 131 LEU N N 120.063 0.400 . 608 132 132 ALA H H 8.031 0.020 . 609 132 132 ALA HA H 4.288 0.020 . 610 132 132 ALA HB H 1.398 0.020 . 611 132 132 ALA C C 175.603 0.400 . 612 132 132 ALA CA C 51.186 0.400 . 613 132 132 ALA CB C 17.441 0.400 . 614 132 132 ALA N N 123.929 0.400 . 615 133 133 GLY H H 8.235 0.020 . 616 133 133 GLY HA2 H 3.992 0.020 . 617 133 133 GLY HA3 H 3.992 0.020 . 618 133 133 GLY C C 171.665 0.400 . 619 133 133 GLY CA C 43.694 0.400 . 620 133 133 GLY N N 107.705 0.400 . 621 134 134 THR H H 7.979 0.020 . 622 134 134 THR HA H 4.416 0.020 . 623 134 134 THR HG2 H 1.141 0.020 . 624 134 134 THR C C 171.021 0.400 . 625 134 134 THR CA C 59.889 0.400 . 626 134 134 THR CB C 68.218 0.400 . 627 134 134 THR N N 112.737 0.400 . 628 135 135 ASN H H 8.091 0.020 . 629 135 135 ASN HA H 4.480 0.020 . 630 135 135 ASN HB2 H 2.722 0.020 . 631 135 135 ASN HB3 H 2.722 0.020 . 632 135 135 ASN C C 176.555 0.400 . 633 135 135 ASN CA C 53.224 0.400 . 634 135 135 ASN CB C 39.218 0.400 . 635 135 135 ASN N N 126.059 0.400 . 636 142 142 ALA H H 8.162 0.020 . 637 142 142 ALA HA H 4.197 0.020 . 638 142 142 ALA HB H 1.282 0.020 . 639 142 142 ALA C C 174.710 0.400 . 640 142 142 ALA CA C 50.745 0.400 . 641 142 142 ALA CB C 17.386 0.400 . 642 142 142 ALA N N 124.880 0.400 . 643 143 143 ALA H H 8.136 0.020 . 644 143 143 ALA HA H 4.159 0.020 . 645 143 143 ALA HB H 1.333 0.020 . 646 143 143 ALA C C 175.588 0.400 . 647 143 143 ALA CA C 50.993 0.400 . 648 143 143 ALA CB C 17.717 0.400 . 649 143 143 ALA N N 122.994 0.400 . 650 144 144 GLY H H 8.206 0.020 . 651 144 144 GLY HA2 H 3.902 0.020 . 652 144 144 GLY HA3 H 3.902 0.020 . 653 144 144 GLY C C 171.138 0.400 . 654 144 144 GLY CA C 43.529 0.400 . 655 144 144 GLY N N 107.549 0.400 . 656 145 145 ASP H H 8.100 0.020 . 657 145 145 ASP HA H 3.979 0.020 . 658 145 145 ASP C C 173.348 0.400 . 659 145 145 ASP CA C 52.480 0.400 . 660 145 145 ASP CB C 39.439 0.400 . 661 145 145 ASP N N 120.051 0.400 . 662 146 146 HIS H H 7.991 0.020 . 663 146 146 HIS C C 174.860 0.400 . 664 146 146 HIS CA C 51.010 0.400 . 665 146 146 HIS N N 123.925 0.400 . stop_ save_