data_27566 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone assignments of the N domain of bacterial tRNA-(N1G37) methyltransferase (TrmD) ; _BMRB_accession_number 27566 _BMRB_flat_file_name bmr27566.str _Entry_type original _Submission_date 2018-07-31 _Accession_date 2018-07-31 _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 Li Yan . . 2 Ng 'Hui Qi' . . 3 Kang CongBao . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 144 "13C chemical shifts" 446 "15N chemical shifts" 144 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2019-04-11 update BMRB 'update entry citation' 2018-11-15 original author 'original release' stop_ _Original_release_date 2018-08-01 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Backbone resonance assignment for the N-terminal region of bacterial tRNA-(N'1G37) methyltransferase ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 30298375 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Li Yan . . 2 Zhong Wenhe . . 3 Koay 'Ann Zhufang' Z. . 4 Ng 'Hui Qi' Q. . 5 Koh-Stenta Xiaoying . . 6 Nah Qianhui . . 7 Lim 'Siau Hoi' H. . 8 Larsson Andreas . . 9 Lescar Julien . . 10 Hill Jeffrey . . 11 Dedon Peter C. . 12 Kang CongBao . . stop_ _Journal_abbreviation 'Biomol. NMR Assign.' _Journal_name_full 'Biomolecular NMR assignments' _Journal_volume 13 _Journal_issue 1 _Journal_ISSN 1874-270X _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 49 _Page_last 53 _Year 2019 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'N domain of bacterial tRNA-(N1G37) methyltransferase (TrmD)' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'N domain of bacterial tRNA-(N1G37) methyltransferase (TrmD)' $N_domain_of_bacterial_tRNA-(N1G37)_methyltransferase_(TrmD) 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_N_domain_of_bacterial_tRNA-(N1G37)_methyltransferase_(TrmD) _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common N_domain_of_bacterial_tRNA-(N1G37)_methyltransferase_(TrmD) _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 172 _Mol_residue_sequence ; MDKRLWVGVVSIFPEMFRAI SDYGITSRAVKQGLLTLTCW NPRVYTEDRHQTVDDRPFGG GPGMVMKIKPLEGALADARQ AAGGRKAKVIYLSPQGRQLT QAGVRELAEEEALILIAGRY EGIDERFIEEHVDEEWSIGD YVLSGGELPAMVLVDAVTRL LPGALGHHHHHH ; loop_ _Residue_seq_code _Residue_label 1 MET 2 ASP 3 LYS 4 ARG 5 LEU 6 TRP 7 VAL 8 GLY 9 VAL 10 VAL 11 SER 12 ILE 13 PHE 14 PRO 15 GLU 16 MET 17 PHE 18 ARG 19 ALA 20 ILE 21 SER 22 ASP 23 TYR 24 GLY 25 ILE 26 THR 27 SER 28 ARG 29 ALA 30 VAL 31 LYS 32 GLN 33 GLY 34 LEU 35 LEU 36 THR 37 LEU 38 THR 39 CYS 40 TRP 41 ASN 42 PRO 43 ARG 44 VAL 45 TYR 46 THR 47 GLU 48 ASP 49 ARG 50 HIS 51 GLN 52 THR 53 VAL 54 ASP 55 ASP 56 ARG 57 PRO 58 PHE 59 GLY 60 GLY 61 GLY 62 PRO 63 GLY 64 MET 65 VAL 66 MET 67 LYS 68 ILE 69 LYS 70 PRO 71 LEU 72 GLU 73 GLY 74 ALA 75 LEU 76 ALA 77 ASP 78 ALA 79 ARG 80 GLN 81 ALA 82 ALA 83 GLY 84 GLY 85 ARG 86 LYS 87 ALA 88 LYS 89 VAL 90 ILE 91 TYR 92 LEU 93 SER 94 PRO 95 GLN 96 GLY 97 ARG 98 GLN 99 LEU 100 THR 101 GLN 102 ALA 103 GLY 104 VAL 105 ARG 106 GLU 107 LEU 108 ALA 109 GLU 110 GLU 111 GLU 112 ALA 113 LEU 114 ILE 115 LEU 116 ILE 117 ALA 118 GLY 119 ARG 120 TYR 121 GLU 122 GLY 123 ILE 124 ASP 125 GLU 126 ARG 127 PHE 128 ILE 129 GLU 130 GLU 131 HIS 132 VAL 133 ASP 134 GLU 135 GLU 136 TRP 137 SER 138 ILE 139 GLY 140 ASP 141 TYR 142 VAL 143 LEU 144 SER 145 GLY 146 GLY 147 GLU 148 LEU 149 PRO 150 ALA 151 MET 152 VAL 153 LEU 154 VAL 155 ASP 156 ALA 157 VAL 158 THR 159 ARG 160 LEU 161 LEU 162 PRO 163 GLY 164 ALA 165 LEU 166 GLY 167 HIS 168 HIS 169 HIS 170 HIS 171 HIS 172 HIS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ ############# # Ligands # ############# save_NIL _Saveframe_category ligand _Mol_type "non-polymer (NON-POLYMER)" _Name_common Nilotinib _BMRB_code NIL _PDB_code NIL _Molecular_mass 529.516 _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 O17 O17 O . 0 . ? C16 C16 C . 0 . ? N14 N14 N . 0 . ? C11 C11 C . 0 . ? C9 C9 C . 0 . ? C8 C8 C . 0 . ? N51 N51 N . 0 . ? C56 C56 C . 0 . ? C55 C55 C . 0 . ? C58 C58 C . 0 . ? N54 N54 N . 0 . ? C52 C52 C . 0 . ? C6 C6 C . 0 . ? C12 C12 C . 0 . ? C5 C5 C . 0 . ? C2 C2 C . 0 . ? F4 F4 F . 0 . ? F3 F3 F . 0 . ? F1 F1 F . 0 . ? C18 C18 C . 0 . ? C25 C25 C . 0 . ? C23 C23 C . 0 . ? C22 C22 C . 0 . ? C27 C27 C . 0 . ? C21 C21 C . 0 . ? C19 C19 C . 0 . ? N31 N31 N . 0 . ? C33 C33 C . 0 . ? N40 N40 N . 0 . ? C38 C38 C . 0 . ? C36 C36 C . 0 . ? C35 C35 C . 0 . ? N34 N34 N . 0 . ? C41 C41 C . 0 . ? C49 C49 C . 0 . ? C47 C47 C . 0 . ? C45 C45 C . 0 . ? N44 N44 N . 0 . ? C42 C42 C . 0 . ? HN14 HN14 H . 0 . ? H9 H9 H . 0 . ? H56 H56 H . 0 . ? H58 H58 H . 0 . ? H58A H58A H . 0 . ? H58B H58B H . 0 . ? H52 H52 H . 0 . ? H6 H6 H . 0 . ? H12 H12 H . 0 . ? H25 H25 H . 0 . ? H23 H23 H . 0 . ? H27 H27 H . 0 . ? H27A H27A H . 0 . ? H27B H27B H . 0 . ? H19 H19 H . 0 . ? HN31 HN31 H . 0 . ? H38 H38 H . 0 . ? H36 H36 H . 0 . ? H49 H49 H . 0 . ? H47 H47 H . 0 . ? H45 H45 H . 0 . ? H42 H42 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 DOUB O17 C16 ? ? SING C16 N14 ? ? SING C16 C18 ? ? SING N14 C11 ? ? DOUB C11 C9 ? ? SING C11 C12 ? ? SING C9 C8 ? ? SING C8 N51 ? ? DOUB C8 C6 ? ? SING N51 C56 ? ? SING N51 C52 ? ? DOUB C56 C55 ? ? SING C55 C58 ? ? SING C55 N54 ? ? DOUB N54 C52 ? ? SING C6 C5 ? ? DOUB C12 C5 ? ? SING C5 C2 ? ? SING C2 F4 ? ? SING C2 F3 ? ? SING C2 F1 ? ? DOUB C18 C25 ? ? SING C18 C19 ? ? SING C25 C23 ? ? DOUB C23 C22 ? ? SING C22 C27 ? ? SING C22 C21 ? ? DOUB C21 C19 ? ? SING C21 N31 ? ? SING N31 C33 ? ? DOUB C33 N40 ? ? SING C33 N34 ? ? SING N40 C38 ? ? DOUB C38 C36 ? ? SING C36 C35 ? ? DOUB C35 N34 ? ? SING C35 C41 ? ? DOUB C41 C49 ? ? SING C41 C42 ? ? SING C49 C47 ? ? DOUB C47 C45 ? ? SING C45 N44 ? ? DOUB N44 C42 ? ? SING N14 HN14 ? ? SING C9 H9 ? ? SING C56 H56 ? ? SING C58 H58 ? ? SING C58 H58A ? ? SING C58 H58B ? ? SING C52 H52 ? ? SING C6 H6 ? ? SING C12 H12 ? ? SING C25 H25 ? ? SING C23 H23 ? ? SING C27 H27 ? ? SING C27 H27A ? ? SING C27 H27B ? ? SING C19 H19 ? ? SING N31 HN31 ? ? SING C38 H38 ? ? SING C36 H36 ? ? SING C49 H49 ? ? SING C47 H47 ? ? SING C45 H45 ? ? SING C42 H42 ? ? 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 $N_domain_of_bacterial_tRNA-(N1G37)_methyltransferase_(TrmD) Human 9606 Eukaryota Metazoa Homo sapiens 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 $N_domain_of_bacterial_tRNA-(N1G37)_methyltransferase_(TrmD) 'recombinant technology' . Escherichia coli . pET29b stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '20 mM sodium phosphate, pH 6.5, 150 mM NaCl, 1 mM DTT.' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $N_domain_of_bacterial_tRNA-(N1G37)_methyltransferase_(TrmD) 0.5 mM '[U-13C; U-15N; U-2H]' 'sodium phosphate' 20 mM 'natural abundance' 'sodium chloride' 150 mM 'natural abundance' DTT 1 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 'Johnson, One Moon Scientific' . . 'Keller and Wuthrich' . . stop_ loop_ _Task 'chemical shift assignment' processing stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _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_HNCACB_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HN(CO)CACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CACB' _Sample_label $sample_1 save_ save_3D_HNCA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_HNCO_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HN(CA)CO_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _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' 170 . 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 internal indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal indirect . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 internal 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_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $NMRPipe stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCACB' '3D HNCA' '3D HNCO' 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 'N domain of bacterial tRNA-(N1G37) methyltransferase (TrmD)' _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 2 2 ASP C C 175.317 0.3 1 2 2 2 ASP CA C 54.196 0.3 1 3 2 2 ASP CB C 40.994 0.3 1 4 3 3 LYS H H 8.184 0.020 1 5 3 3 LYS C C 174.632 0.3 1 6 3 3 LYS CA C 56.075 0.3 1 7 3 3 LYS CB C 32.478 0.3 1 8 3 3 LYS N N 123.331 0.3 1 9 4 4 ARG H H 8.186 0.020 1 10 4 4 ARG C C 175.199 0.3 1 11 4 4 ARG CA C 54.291 0.3 1 12 4 4 ARG CB C 32.585 0.3 1 13 4 4 ARG N N 122.963 0.3 1 14 5 5 LEU H H 8.660 0.020 1 15 5 5 LEU C C 173.971 0.3 1 16 5 5 LEU CA C 54.291 0.3 1 17 5 5 LEU CB C 45.123 0.3 1 18 5 5 LEU N N 122.978 0.3 1 19 6 6 TRP H H 8.139 0.020 1 20 6 6 TRP C C 174.774 0.3 1 21 6 6 TRP CA C 57.371 0.3 1 22 6 6 TRP CB C 32.478 0.3 1 23 6 6 TRP N N 130.992 0.3 1 24 7 7 VAL H H 8.791 0.020 1 25 7 7 VAL C C 173.971 0.3 1 26 7 7 VAL CA C 60.245 0.3 1 27 7 7 VAL CB C 33.950 0.3 1 28 7 7 VAL N N 127.223 0.3 1 29 8 8 GLY H H 9.061 0.020 1 30 8 8 GLY C C 172.082 0.3 1 31 8 8 GLY CA C 43.570 0.3 1 32 8 8 GLY N N 117.783 0.3 1 33 9 9 VAL H H 9.178 0.020 1 34 9 9 VAL C C 174.611 0.3 1 35 9 9 VAL CA C 60.089 0.3 1 36 9 9 VAL CB C 33.094 0.3 1 37 9 9 VAL N N 124.243 0.3 1 38 10 10 VAL H H 9.222 0.020 1 39 10 10 VAL C C 176.545 0.3 1 40 10 10 VAL CA C 60.563 0.3 1 41 10 10 VAL CB C 31.176 0.3 1 42 10 10 VAL N N 129.181 0.3 1 43 11 11 SER H H 8.117 0.020 1 44 11 11 SER C C 173.912 0.3 1 45 11 11 SER CA C 56.547 0.3 1 46 11 11 SER CB C 65.798 0.3 1 47 11 11 SER N N 120.564 0.3 1 48 12 12 ILE H H 7.940 0.020 1 49 12 12 ILE C C 174.986 0.3 1 50 12 12 ILE CA C 61.204 0.3 1 51 12 12 ILE CB C 36.834 0.3 1 52 12 12 ILE N N 118.822 0.3 1 53 13 13 PHE H H 8.851 0.020 1 54 13 13 PHE C C 173.759 0.3 1 55 13 13 PHE CA C 53.909 0.3 1 56 13 13 PHE CB C 39.792 0.3 1 57 13 13 PHE N N 121.116 0.3 1 58 14 14 PRO C C 179.709 0.3 1 59 14 14 PRO CA C 65.244 0.3 1 60 14 14 PRO CB C 31.017 0.3 1 61 15 15 GLU H H 9.367 0.020 1 62 15 15 GLU C C 180.110 0.3 1 63 15 15 GLU CA C 58.970 0.3 1 64 15 15 GLU CB C 27.871 0.3 1 65 15 15 GLU N N 118.300 0.3 1 66 16 16 MET H H 7.826 0.020 1 67 16 16 MET C C 177.350 0.3 1 68 16 16 MET CA C 59.479 0.3 1 69 16 16 MET CB C 32.264 0.3 1 70 16 16 MET N N 118.487 0.3 1 71 17 17 PHE H H 7.535 0.020 1 72 17 17 PHE C C 176.545 0.3 1 73 17 17 PHE CA C 60.676 0.3 1 74 17 17 PHE CB C 36.811 0.3 1 75 17 17 PHE N N 112.767 0.3 1 76 18 18 ARG H H 7.481 0.020 1 77 18 18 ARG C C 177.654 0.3 1 78 18 18 ARG CA C 58.210 0.3 1 79 18 18 ARG CB C 28.986 0.3 1 80 18 18 ARG N N 123.233 0.3 1 81 19 19 ALA H H 7.502 0.020 1 82 19 19 ALA C C 177.277 0.3 1 83 19 19 ALA CA C 55.040 0.3 1 84 19 19 ALA CB C 17.583 0.3 1 85 19 19 ALA N N 117.973 0.3 1 86 20 20 ILE H H 6.903 0.020 1 87 20 20 ILE C C 177.548 0.3 1 88 20 20 ILE CA C 59.755 0.3 1 89 20 20 ILE CB C 38.907 0.3 1 90 20 20 ILE N N 102.469 0.3 1 91 21 21 SER H H 8.589 0.020 1 92 21 21 SER C C 176.190 0.3 1 93 21 21 SER CA C 61.136 0.3 1 94 21 21 SER CB C 63.018 0.3 1 95 21 21 SER N N 117.702 0.3 1 96 22 22 ASP H H 7.998 0.020 1 97 22 22 ASP C C 174.797 0.3 1 98 22 22 ASP CA C 54.444 0.3 1 99 22 22 ASP CB C 40.675 0.3 1 100 22 22 ASP N N 118.266 0.3 1 101 23 23 TYR H H 6.488 0.020 1 102 23 23 TYR C C 175.538 0.3 1 103 23 23 TYR CA C 56.341 0.3 1 104 23 23 TYR CB C 41.598 0.3 1 105 23 23 TYR N N 116.292 0.3 1 106 24 24 GLY H H 7.801 0.020 1 107 24 24 GLY C C 176.308 0.3 1 108 24 24 GLY CA C 44.629 0.3 1 109 24 24 GLY N N 104.417 0.3 1 110 25 25 ILE H H 8.652 0.020 1 111 25 25 ILE C C 178.812 0.3 1 112 25 25 ILE CA C 63.317 0.3 1 113 25 25 ILE CB C 36.352 0.3 1 114 25 25 ILE N N 122.217 0.3 1 115 26 26 THR H H 8.321 0.020 1 116 26 26 THR C C 176.309 0.3 1 117 26 26 THR CA C 64.893 0.3 1 118 26 26 THR CB C 66.032 0.3 1 119 26 26 THR N N 114.221 0.3 1 120 27 27 SER H H 6.657 0.020 1 121 27 27 SER C C 177.371 0.3 1 122 27 27 SER CA C 60.728 0.3 1 123 27 27 SER CB C 62.937 0.3 1 124 27 27 SER N N 116.716 0.3 1 125 28 28 ARG H H 7.398 0.020 1 126 28 28 ARG C C 178.292 0.3 1 127 28 28 ARG CA C 58.811 0.3 1 128 28 28 ARG CB C 28.728 0.3 1 129 28 28 ARG N N 122.713 0.3 1 130 29 29 ALA H H 8.142 0.020 1 131 29 29 ALA C C 180.677 0.3 1 132 29 29 ALA CA C 54.940 0.3 1 133 29 29 ALA CB C 17.872 0.3 1 134 29 29 ALA N N 122.068 0.3 1 135 30 30 VAL H H 8.210 0.020 1 136 30 30 VAL C C 181.136 0.3 1 137 30 30 VAL CA C 64.671 0.3 1 138 30 30 VAL CB C 31.098 0.3 1 139 30 30 VAL N N 121.832 0.3 1 140 31 31 LYS H H 8.240 0.020 1 141 31 31 LYS C C 178.909 0.3 1 142 31 31 LYS CA C 59.157 0.3 1 143 31 31 LYS CB C 31.346 0.3 1 144 31 31 LYS N N 122.882 0.3 1 145 32 32 GLN H H 8.056 0.020 1 146 32 32 GLN C C 176.356 0.3 1 147 32 32 GLN CA C 55.723 0.3 1 148 32 32 GLN CB C 29.416 0.3 1 149 32 32 GLN N N 114.828 0.3 1 150 33 33 GLY H H 7.863 0.020 1 151 33 33 GLY C C 174.500 0.3 1 152 33 33 GLY CA C 45.155 0.3 1 153 33 33 GLY N N 107.643 0.3 1 154 34 34 LEU H H 8.137 0.020 1 155 34 34 LEU C C 174.608 0.3 1 156 34 34 LEU CA C 56.222 0.3 1 157 34 34 LEU CB C 42.387 0.3 1 158 34 34 LEU N N 120.550 0.3 1 159 35 35 LEU H H 6.878 0.020 1 160 35 35 LEU C C 175.317 0.3 1 161 35 35 LEU CA C 52.234 0.3 1 162 35 35 LEU CB C 45.726 0.3 1 163 35 35 LEU N N 118.405 0.3 1 164 36 36 THR H H 8.278 0.020 1 165 36 36 THR C C 171.161 0.3 1 166 36 36 THR CA C 61.993 0.3 1 167 36 36 THR CB C 70.126 0.3 1 168 36 36 THR N N 123.435 0.3 1 169 37 37 LEU H H 8.670 0.020 1 170 37 37 LEU C C 175.011 0.3 1 171 37 37 LEU CA C 52.988 0.3 1 172 37 37 LEU CB C 43.925 0.3 1 173 37 37 LEU N N 129.415 0.3 1 174 38 38 THR C C 172.394 0.3 1 175 38 38 THR CA C 59.691 0.3 1 176 39 39 CYS H H 8.109 0.020 1 177 39 39 CYS C C 173.475 0.3 1 178 39 39 CYS CA C 56.525 0.3 1 179 39 39 CYS CB C 30.258 0.3 1 180 39 39 CYS N N 120.353 0.3 1 181 40 40 TRP H H 9.206 0.020 1 182 40 40 TRP C C 174.042 0.3 1 183 40 40 TRP CA C 56.766 0.3 1 184 40 40 TRP CB C 30.050 0.3 1 185 40 40 TRP N N 127.000 0.3 1 186 41 41 ASN H H 9.009 0.020 1 187 41 41 ASN C C 175.507 0.3 1 188 41 41 ASN CA C 49.171 0.3 1 189 41 41 ASN CB C 39.957 0.3 1 190 41 41 ASN N N 123.276 0.3 1 191 42 42 PRO C C 177.159 0.3 1 192 42 42 PRO CA C 64.384 0.3 1 193 42 42 PRO CB C 31.725 0.3 1 194 43 43 ARG H H 8.246 0.020 1 195 43 43 ARG C C 178.623 0.3 1 196 43 43 ARG CA C 58.250 0.3 1 197 43 43 ARG CB C 29.121 0.3 1 198 43 43 ARG N N 114.973 0.3 1 199 44 44 VAL H H 7.726 0.020 1 200 44 44 VAL C C 176.379 0.3 1 201 44 44 VAL CA C 62.678 0.3 1 202 44 44 VAL CB C 30.634 0.3 1 203 44 44 VAL N N 114.422 0.3 1 204 45 45 TYR H H 7.668 0.020 1 205 45 45 TYR C C 175.742 0.3 1 206 45 45 TYR CA C 58.103 0.3 1 207 45 45 TYR CB C 37.407 0.3 1 208 45 45 TYR N N 121.140 0.3 1 209 46 46 THR H H 7.542 0.020 1 210 46 46 THR C C 174.539 0.3 1 211 46 46 THR CA C 61.304 0.3 1 212 46 46 THR CB C 69.810 0.3 1 213 46 46 THR N N 112.942 0.3 1 214 47 47 GLU H H 8.509 0.020 1 215 47 47 GLU C C 176.332 0.3 1 216 47 47 GLU CA C 56.479 0.3 1 217 47 47 GLU CB C 29.715 0.3 1 218 47 47 GLU N N 122.990 0.3 1 219 48 48 ASP H H 8.378 0.020 1 220 48 48 ASP C C 176.497 0.3 1 221 48 48 ASP CA C 54.204 0.3 1 222 48 48 ASP CB C 40.707 0.3 1 223 48 48 ASP N N 121.534 0.3 1 224 49 49 ARG H H 8.227 0.020 1 225 49 49 ARG CA C 56.042 0.3 1 226 49 49 ARG CB C 29.419 0.3 1 227 49 49 ARG N N 121.349 0.3 1 228 51 51 GLN C C 175.978 0.3 1 229 51 51 GLN CA C 55.668 0.3 1 230 52 52 THR H H 8.308 0.020 1 231 52 52 THR C C 174.774 0.3 1 232 52 52 THR CA C 61.507 0.3 1 233 52 52 THR CB C 69.660 0.3 1 234 52 52 THR N N 115.973 0.3 1 235 53 53 VAL H H 8.213 0.020 1 236 53 53 VAL C C 175.813 0.3 1 237 53 53 VAL CA C 62.075 0.3 1 238 53 53 VAL CB C 31.980 0.3 1 239 53 53 VAL N N 121.608 0.3 1 240 54 54 ASP H H 8.293 0.020 1 241 54 54 ASP C C 175.742 0.3 1 242 54 54 ASP CA C 54.088 0.3 1 243 54 54 ASP CB C 40.943 0.3 1 244 54 54 ASP N N 123.546 0.3 1 245 55 55 ASP H H 8.243 0.020 1 246 55 55 ASP C C 176.051 0.3 1 247 55 55 ASP CA C 53.953 0.3 1 248 55 55 ASP CB C 40.569 0.3 1 249 55 55 ASP N N 120.900 0.3 1 250 56 56 ARG H H 8.090 0.020 1 251 56 56 ARG C C 174.595 0.3 1 252 56 56 ARG CA C 53.967 0.3 1 253 56 56 ARG CB C 29.165 0.3 1 254 56 56 ARG N N 121.757 0.3 1 255 57 57 PRO C C 176.993 0.3 1 256 57 57 PRO CA C 63.078 0.3 1 257 57 57 PRO CB C 31.000 0.3 1 258 58 58 PHE H H 8.316 0.020 1 259 58 58 PHE C C 176.556 0.3 1 260 58 58 PHE CA C 57.558 0.3 1 261 58 58 PHE CB C 38.649 0.3 1 262 58 58 PHE N N 120.241 0.3 1 263 59 59 GLY H H 8.342 0.020 1 264 59 59 GLY C C 174.278 0.3 1 265 59 59 GLY CA C 44.767 0.3 1 266 59 59 GLY N N 109.776 0.3 1 267 60 60 GLY H H 8.154 0.020 1 268 60 60 GLY C C 172.083 0.3 1 269 60 60 GLY CA C 44.292 0.3 1 270 60 60 GLY N N 109.405 0.3 1 271 63 63 GLY C C 174.254 0.3 1 272 63 63 GLY CA C 44.985 0.3 1 273 64 64 MET H H 8.110 0.020 1 274 64 64 MET C C 176.072 0.3 1 275 64 64 MET CA C 55.254 0.3 1 276 64 64 MET CB C 32.299 0.3 1 277 64 64 MET N N 120.395 0.3 1 278 65 65 VAL H H 8.086 0.020 1 279 65 65 VAL C C 176.049 0.3 1 280 65 65 VAL CA C 62.058 0.3 1 281 65 65 VAL CB C 31.983 0.3 1 282 65 65 VAL N N 121.312 0.3 1 283 66 66 MET H H 8.398 0.020 1 284 66 66 MET C C 175.767 0.3 1 285 66 66 MET CA C 54.914 0.3 1 286 66 66 MET CB C 32.264 0.3 1 287 66 66 MET N N 124.283 0.3 1 288 67 67 LYS H H 8.239 0.020 1 289 67 67 LYS C C 174.986 0.3 1 290 67 67 LYS CA C 55.958 0.3 1 291 67 67 LYS CB C 32.323 0.3 1 292 67 67 LYS N N 123.177 0.3 1 293 68 68 ILE H H 8.120 0.020 1 294 68 68 ILE C C 176.286 0.3 1 295 68 68 ILE CA C 61.230 0.3 1 296 68 68 ILE CB C 38.370 0.3 1 297 68 68 ILE N N 120.476 0.3 1 298 69 69 LYS H H 8.489 0.020 1 299 69 69 LYS CA C 54.645 0.3 1 300 69 69 LYS N N 124.420 0.3 1 301 72 72 GLU C C 179.874 0.3 1 302 72 72 GLU CA C 59.339 0.3 1 303 72 72 GLU CB C 28.803 0.3 1 304 73 73 GLY H H 8.241 0.020 1 305 73 73 GLY C C 175.152 0.3 1 306 73 73 GLY CA C 46.572 0.3 1 307 73 73 GLY N N 108.997 0.3 1 308 74 74 ALA H H 7.427 0.020 1 309 74 74 ALA C C 178.662 0.3 1 310 74 74 ALA CA C 54.033 0.3 1 311 74 74 ALA CB C 17.751 0.3 1 312 74 74 ALA N N 125.228 0.3 1 313 75 75 LEU H H 8.058 0.020 1 314 75 75 LEU C C 177.843 0.3 1 315 75 75 LEU CA C 57.127 0.3 1 316 75 75 LEU CB C 41.084 0.3 1 317 75 75 LEU N N 117.043 0.3 1 318 76 76 ALA H H 7.968 0.020 1 319 76 76 ALA C C 181.149 0.3 1 320 76 76 ALA CA C 54.659 0.3 1 321 76 76 ALA CB C 16.869 0.3 1 322 76 76 ALA N N 120.841 0.3 1 323 77 77 ASP H H 7.557 0.020 1 324 77 77 ASP C C 178.528 0.3 1 325 77 77 ASP CA C 56.395 0.3 1 326 77 77 ASP CB C 39.246 0.3 1 327 77 77 ASP N N 120.673 0.3 1 328 78 78 ALA H H 7.684 0.020 1 329 78 78 ALA C C 178.717 0.3 1 330 78 78 ALA CA C 54.406 0.3 1 331 78 78 ALA CB C 16.240 0.3 1 332 78 78 ALA N N 125.358 0.3 1 333 79 79 ARG H H 8.279 0.020 1 334 79 79 ARG C C 180.096 0.3 1 335 79 79 ARG CA C 59.349 0.3 1 336 79 79 ARG CB C 29.263 0.3 1 337 79 79 ARG N N 115.279 0.3 1 338 80 80 GLN H H 7.789 0.020 1 339 80 80 GLN C C 179.024 0.3 1 340 80 80 GLN CA C 58.191 0.3 1 341 80 80 GLN CB C 27.579 0.3 1 342 80 80 GLN N N 119.339 0.3 1 343 81 81 ALA H H 7.844 0.020 1 344 81 81 ALA C C 178.316 0.3 1 345 81 81 ALA CA C 53.850 0.3 1 346 81 81 ALA CB C 19.030 0.3 1 347 81 81 ALA N N 123.829 0.3 1 348 82 82 ALA H H 7.302 0.020 1 349 82 82 ALA C C 179.733 0.3 1 350 82 82 ALA CA C 52.416 0.3 1 351 82 82 ALA CB C 15.614 0.3 1 352 82 82 ALA N N 120.856 0.3 1 353 83 83 GLY H H 7.366 0.020 1 354 83 83 GLY C C 175.247 0.3 1 355 83 83 GLY CA C 46.540 0.3 1 356 83 83 GLY N N 106.802 0.3 1 357 84 84 GLY C C 174.679 0.3 1 358 84 84 GLY CA C 44.892 0.3 1 359 85 85 ARG H H 7.095 0.020 1 360 85 85 ARG C C 175.575 0.3 1 361 85 85 ARG CA C 55.281 0.3 1 362 85 85 ARG CB C 30.934 0.3 1 363 85 85 ARG N N 120.052 0.3 1 364 86 86 LYS H H 8.787 0.020 1 365 86 86 LYS C C 175.388 0.3 1 366 86 86 LYS CA C 55.755 0.3 1 367 86 86 LYS CB C 30.656 0.3 1 368 86 86 LYS N N 124.738 0.3 1 369 87 87 ALA H H 8.187 0.020 1 370 87 87 ALA C C 176.875 0.3 1 371 87 87 ALA CA C 50.174 0.3 1 372 87 87 ALA CB C 19.512 0.3 1 373 87 87 ALA N N 129.376 0.3 1 374 88 88 LYS H H 8.005 0.020 1 375 88 88 LYS C C 174.915 0.3 1 376 88 88 LYS CA C 55.014 0.3 1 377 88 88 LYS CB C 33.815 0.3 1 378 88 88 LYS N N 124.128 0.3 1 379 89 89 VAL H H 10.152 0.020 1 380 89 89 VAL C C 176.072 0.3 1 381 89 89 VAL CA C 61.864 0.3 1 382 89 89 VAL CB C 31.018 0.3 1 383 89 89 VAL N N 128.398 0.3 1 384 90 90 ILE H H 9.796 0.020 1 385 90 90 ILE C C 174.656 0.3 1 386 90 90 ILE CA C 58.062 0.3 1 387 90 90 ILE CB C 40.329 0.3 1 388 90 90 ILE N N 130.782 0.3 1 389 91 91 TYR H H 8.806 0.020 1 390 91 91 TYR C C 174.254 0.3 1 391 91 91 TYR CA C 54.544 0.3 1 392 91 91 TYR CB C 41.611 0.3 1 393 91 91 TYR N N 128.296 0.3 1 394 92 92 LEU H H 7.574 0.020 1 395 92 92 LEU C C 174.254 0.3 1 396 92 92 LEU CA C 52.632 0.3 1 397 92 92 LEU CB C 38.820 0.3 1 398 92 92 LEU N N 132.171 0.3 1 399 93 93 SER H H 8.248 0.020 1 400 93 93 SER CA C 54.644 0.3 1 401 93 93 SER CB C 65.378 0.3 1 402 93 93 SER N N 121.023 0.3 1 403 94 94 PRO C C 177.442 0.3 1 404 94 94 PRO CA C 63.544 0.3 1 405 94 94 PRO CB C 30.922 0.3 1 406 95 95 GLN H H 7.765 0.020 1 407 95 95 GLN C C 176.025 0.3 1 408 95 95 GLN CA C 55.080 0.3 1 409 95 95 GLN CB C 28.114 0.3 1 410 95 95 GLN N N 115.632 0.3 1 411 96 96 GLY H H 7.552 0.020 1 412 96 96 GLY C C 171.869 0.3 1 413 96 96 GLY CA C 44.146 0.3 1 414 96 96 GLY N N 106.285 0.3 1 415 97 97 ARG H H 7.633 0.020 1 416 97 97 ARG C C 176.096 0.3 1 417 97 97 ARG CA C 56.038 0.3 1 418 97 97 ARG CB C 29.472 0.3 1 419 97 97 ARG N N 122.278 0.3 1 420 98 98 GLN H H 8.567 0.020 1 421 98 98 GLN C C 177.182 0.3 1 422 98 98 GLN CA C 56.136 0.3 1 423 98 98 GLN CB C 28.085 0.3 1 424 98 98 GLN N N 126.122 0.3 1 425 99 99 LEU H H 9.253 0.020 1 426 99 99 LEU C C 174.467 0.3 1 427 99 99 LEU CA C 56.699 0.3 1 428 99 99 LEU CB C 41.908 0.3 1 429 99 99 LEU N N 130.123 0.3 1 430 100 100 THR H H 7.320 0.020 1 431 100 100 THR C C 175.789 0.3 1 432 100 100 THR CA C 59.072 0.3 1 433 100 100 THR CB C 73.515 0.3 1 434 100 100 THR N N 115.940 0.3 1 435 101 101 GLN H H 9.454 0.020 1 436 101 101 GLN C C 177.914 0.3 1 437 101 101 GLN CA C 58.700 0.3 1 438 101 101 GLN CB C 26.578 0.3 1 439 101 101 GLN N N 124.977 0.3 1 440 102 102 ALA H H 8.333 0.020 1 441 102 102 ALA C C 180.866 0.3 1 442 102 102 ALA CA C 54.989 0.3 1 443 102 102 ALA CB C 17.369 0.3 1 444 102 102 ALA N N 120.770 0.3 1 445 103 103 GLY H H 7.756 0.020 1 446 103 103 GLY C C 175.074 0.3 1 447 103 103 GLY CA C 46.796 0.3 1 448 103 103 GLY N N 108.444 0.3 1 449 104 104 VAL H H 8.182 0.020 1 450 104 104 VAL C C 177.513 0.3 1 451 104 104 VAL CA C 66.444 0.3 1 452 104 104 VAL CB C 30.528 0.3 1 453 104 104 VAL N N 122.987 0.3 1 454 105 105 ARG H H 7.962 0.020 1 455 105 105 ARG C C 179.048 0.3 1 456 105 105 ARG CA C 59.463 0.3 1 457 105 105 ARG CB C 29.337 0.3 1 458 105 105 ARG N N 116.797 0.3 1 459 106 106 GLU H H 7.493 0.020 1 460 106 106 GLU C C 180.724 0.3 1 461 106 106 GLU CA C 59.119 0.3 1 462 106 106 GLU CB C 29.156 0.3 1 463 106 106 GLU N N 118.776 0.3 1 464 107 107 LEU H H 8.295 0.020 1 465 107 107 LEU C C 178.316 0.3 1 466 107 107 LEU CA C 57.357 0.3 1 467 107 107 LEU CB C 41.197 0.3 1 468 107 107 LEU N N 123.104 0.3 1 469 108 108 ALA H H 8.025 0.020 1 470 108 108 ALA C C 177.631 0.3 1 471 108 108 ALA CA C 52.860 0.3 1 472 108 108 ALA CB C 17.921 0.3 1 473 108 108 ALA N N 117.789 0.3 1 474 109 109 GLU H H 7.307 0.020 1 475 109 109 GLU C C 178.174 0.3 1 476 109 109 GLU CA C 56.198 0.3 1 477 109 109 GLU CB C 29.341 0.3 1 478 109 109 GLU N N 115.022 0.3 1 479 110 110 GLU H H 7.571 0.020 1 480 110 110 GLU C C 176.002 0.3 1 481 110 110 GLU CA C 55.275 0.3 1 482 110 110 GLU CB C 28.586 0.3 1 483 110 110 GLU N N 118.927 0.3 1 484 111 111 GLU H H 9.005 0.020 1 485 111 111 GLU C C 177.725 0.3 1 486 111 111 GLU CA C 57.234 0.3 1 487 111 111 GLU CB C 30.352 0.3 1 488 111 111 GLU N N 118.678 0.3 1 489 112 112 ALA H H 7.955 0.020 1 490 112 112 ALA C C 175.057 0.3 1 491 112 112 ALA CA C 50.421 0.3 1 492 112 112 ALA CB C 21.422 0.3 1 493 112 112 ALA N N 120.853 0.3 1 494 113 113 LEU H H 9.047 0.020 1 495 113 113 LEU C C 175.789 0.3 1 496 113 113 LEU CA C 52.713 0.3 1 497 113 113 LEU CB C 45.966 0.3 1 498 113 113 LEU N N 120.411 0.3 1 499 114 114 ILE H H 9.114 0.020 1 500 114 114 ILE C C 174.136 0.3 1 501 114 114 ILE CA C 59.780 0.3 1 502 114 114 ILE CB C 38.720 0.3 1 503 114 114 ILE N N 122.891 0.3 1 504 115 115 LEU H H 9.359 0.020 1 505 115 115 LEU C C 175.411 0.3 1 506 115 115 LEU CA C 52.232 0.3 1 507 115 115 LEU CB C 41.909 0.3 1 508 115 115 LEU N N 126.340 0.3 1 509 116 116 ILE H H 9.602 0.020 1 510 116 116 ILE C C 174.656 0.3 1 511 116 116 ILE CA C 60.870 0.3 1 512 116 116 ILE CB C 37.206 0.3 1 513 116 116 ILE N N 123.996 0.3 1 514 117 117 ALA H H 8.429 0.020 1 515 117 117 ALA C C 175.624 0.3 1 516 117 117 ALA CA C 50.972 0.3 1 517 117 117 ALA CB C 18.440 0.3 1 518 117 117 ALA N N 130.867 0.3 1 519 118 118 GLY H H 8.270 0.020 1 520 118 118 GLY C C 172.530 0.3 1 521 118 118 GLY CA C 44.830 0.3 1 522 118 118 GLY N N 109.448 0.3 1 523 119 119 ARG H H 8.222 0.020 1 524 119 119 ARG CA C 55.323 0.3 1 525 119 119 ARG CB C 29.913 0.3 1 526 119 119 ARG N N 120.027 0.3 1 527 122 122 GLY C C 174.089 0.3 1 528 122 122 GLY CA C 44.824 0.3 1 529 123 123 ILE H H 7.654 0.020 1 530 123 123 ILE C C 174.349 0.3 1 531 123 123 ILE CA C 61.167 0.3 1 532 123 123 ILE CB C 37.356 0.3 1 533 123 123 ILE N N 120.034 0.3 1 534 124 124 ASP H H 7.639 0.020 1 535 124 124 ASP CA C 53.033 0.3 1 536 124 124 ASP CB C 41.693 0.3 1 537 124 124 ASP N N 126.254 0.3 1 538 125 125 GLU C C 178.670 0.3 1 539 125 125 GLU CA C 59.433 0.3 1 540 125 125 GLU CB C 28.590 0.3 1 541 126 126 ARG H H 8.245 0.020 1 542 126 126 ARG C C 178.292 0.3 1 543 126 126 ARG CA C 58.173 0.3 1 544 126 126 ARG CB C 28.491 0.3 1 545 126 126 ARG N N 120.459 0.3 1 546 127 127 PHE H H 8.122 0.020 1 547 127 127 PHE C C 177.560 0.3 1 548 127 127 PHE CA C 61.213 0.3 1 549 127 127 PHE CB C 38.849 0.3 1 550 127 127 PHE N N 121.138 0.3 1 551 128 128 ILE H H 7.732 0.020 1 552 128 128 ILE C C 178.245 0.3 1 553 128 128 ILE CA C 63.359 0.3 1 554 128 128 ILE CB C 36.680 0.3 1 555 128 128 ILE N N 119.150 0.3 1 556 129 129 GLU H H 7.991 0.020 1 557 129 129 GLU C C 178.717 0.3 1 558 129 129 GLU CA C 58.746 0.3 1 559 129 129 GLU CB C 29.049 0.3 1 560 129 129 GLU N N 118.836 0.3 1 561 130 130 GLU H H 7.800 0.020 1 562 130 130 GLU C C 178.221 0.3 1 563 130 130 GLU CA C 58.025 0.3 1 564 130 130 GLU CB C 29.776 0.3 1 565 130 130 GLU N N 116.041 0.3 1 566 131 131 HIS H H 7.770 0.020 1 567 131 131 HIS C C 175.482 0.3 1 568 131 131 HIS CA C 56.857 0.3 1 569 131 131 HIS CB C 32.775 0.3 1 570 131 131 HIS N N 113.050 0.3 1 571 132 132 VAL H H 7.635 0.020 1 572 132 132 VAL C C 175.199 0.3 1 573 132 132 VAL CA C 61.999 0.3 1 574 132 132 VAL CB C 32.157 0.3 1 575 132 132 VAL N N 118.591 0.3 1 576 133 133 ASP H H 8.840 0.020 1 577 133 133 ASP C C 176.497 0.3 1 578 133 133 ASP CA C 57.231 0.3 1 579 133 133 ASP CB C 42.167 0.3 1 580 133 133 ASP N N 126.032 0.3 1 581 134 134 GLU H H 7.902 0.020 1 582 134 134 GLU C C 173.876 0.3 1 583 134 134 GLU CA C 54.952 0.3 1 584 134 134 GLU CB C 34.752 0.3 1 585 134 134 GLU N N 116.587 0.3 1 586 135 135 GLU H H 8.464 0.020 1 587 135 135 GLU C C 176.167 0.3 1 588 135 135 GLU CA C 54.687 0.3 1 589 135 135 GLU CB C 32.314 0.3 1 590 135 135 GLU N N 123.132 0.3 1 591 136 136 TRP H H 8.502 0.020 1 592 136 136 TRP C C 173.900 0.3 1 593 136 136 TRP CA C 56.490 0.3 1 594 136 136 TRP CB C 33.526 0.3 1 595 136 136 TRP N N 123.477 0.3 1 596 137 137 SER H H 9.184 0.020 1 597 137 137 SER C C 175.883 0.3 1 598 137 137 SER CA C 55.090 0.3 1 599 137 137 SER CB C 65.976 0.3 1 600 137 137 SER N N 116.239 0.3 1 601 138 138 ILE H H 8.737 0.020 1 602 138 138 ILE C C 175.860 0.3 1 603 138 138 ILE CA C 62.520 0.3 1 604 138 138 ILE CB C 36.412 0.3 1 605 138 138 ILE N N 116.711 0.3 1 606 139 139 GLY H H 7.681 0.020 1 607 139 139 GLY C C 171.609 0.3 1 608 139 139 GLY CA C 45.203 0.3 1 609 139 139 GLY N N 108.853 0.3 1 610 140 140 ASP H H 8.712 0.020 1 611 140 140 ASP C C 174.939 0.3 1 612 140 140 ASP CA C 52.978 0.3 1 613 140 140 ASP CB C 39.962 0.3 1 614 140 140 ASP N N 121.263 0.3 1 615 141 141 TYR H H 6.873 0.020 1 616 141 141 TYR C C 174.892 0.3 1 617 141 141 TYR CA C 53.623 0.3 1 618 141 141 TYR CB C 38.821 0.3 1 619 141 141 TYR N N 116.549 0.3 1 620 142 142 VAL H H 8.776 0.020 1 621 142 142 VAL C C 175.199 0.3 1 622 142 142 VAL CA C 63.022 0.3 1 623 142 142 VAL CB C 32.034 0.3 1 624 142 142 VAL N N 123.025 0.3 1 625 143 143 LEU H H 7.924 0.020 1 626 143 143 LEU C C 178.415 0.3 1 627 143 143 LEU CA C 52.302 0.3 1 628 143 143 LEU CB C 43.801 0.3 1 629 143 143 LEU N N 126.320 0.3 1 630 144 144 SER H H 11.336 0.020 1 631 144 144 SER C C 174.868 0.3 1 632 144 144 SER CA C 60.156 0.3 1 633 144 144 SER CB C 62.696 0.3 1 634 144 144 SER N N 119.213 0.3 1 635 145 145 GLY H H 7.292 0.020 1 636 145 145 GLY C C 174.585 0.3 1 637 145 145 GLY CA C 44.818 0.3 1 638 145 145 GLY N N 106.843 0.3 1 639 146 146 GLY H H 8.696 0.020 1 640 146 146 GLY C C 174.396 0.3 1 641 146 146 GLY CA C 45.661 0.3 1 642 146 146 GLY N N 107.852 0.3 1 643 147 147 GLU H H 9.238 0.020 1 644 147 147 GLU C C 177.961 0.3 1 645 147 147 GLU CA C 63.151 0.3 1 646 147 147 GLU CB C 28.400 0.3 1 647 147 147 GLU N N 125.465 0.3 1 648 148 148 LEU H H 9.185 0.020 1 649 148 148 LEU C C 177.443 0.3 1 650 148 148 LEU CA C 58.890 0.3 1 651 148 148 LEU CB C 37.792 0.3 1 652 148 148 LEU N N 117.230 0.3 1 653 149 149 PRO C C 176.285 0.3 1 654 149 149 PRO CA C 66.323 0.3 1 655 149 149 PRO CB C 30.534 0.3 1 656 150 150 ALA H H 8.034 0.020 1 657 150 150 ALA C C 178.481 0.3 1 658 150 150 ALA CA C 55.102 0.3 1 659 150 150 ALA CB C 17.173 0.3 1 660 150 150 ALA N N 118.212 0.3 1 661 151 151 MET H H 8.122 0.020 1 662 151 151 MET C C 177.017 0.3 1 663 151 151 MET CA C 60.648 0.3 1 664 151 151 MET CB C 33.677 0.3 1 665 151 151 MET N N 116.661 0.3 1 666 152 152 VAL H H 8.311 0.020 1 667 152 152 VAL C C 176.167 0.3 1 668 152 152 VAL CA C 66.330 0.3 1 669 152 152 VAL CB C 30.871 0.3 1 670 152 152 VAL N N 120.049 0.3 1 671 153 153 LEU H H 7.849 0.020 1 672 153 153 LEU C C 178.150 0.3 1 673 153 153 LEU CA C 59.049 0.3 1 674 153 153 LEU CB C 41.186 0.3 1 675 153 153 LEU N N 119.060 0.3 1 676 154 154 VAL H H 8.062 0.020 1 677 154 154 VAL C C 178.812 0.3 1 678 154 154 VAL CA C 67.009 0.3 1 679 154 154 VAL CB C 30.626 0.3 1 680 154 154 VAL N N 116.515 0.3 1 681 155 155 ASP H H 8.636 0.020 1 682 155 155 ASP C C 176.970 0.3 1 683 155 155 ASP CA C 58.675 0.3 1 684 155 155 ASP CB C 42.583 0.3 1 685 155 155 ASP N N 124.396 0.3 1 686 156 156 ALA H H 8.236 0.020 1 687 156 156 ALA C C 180.701 0.3 1 688 156 156 ALA CA C 54.920 0.3 1 689 156 156 ALA CB C 17.320 0.3 1 690 156 156 ALA N N 118.478 0.3 1 691 157 157 VAL H H 8.204 0.020 1 692 157 157 VAL C C 178.316 0.3 1 693 157 157 VAL CA C 64.925 0.3 1 694 157 157 VAL CB C 31.213 0.3 1 695 157 157 VAL N N 113.559 0.3 1 696 158 158 THR H H 8.267 0.020 1 697 158 158 THR C C 176.450 0.3 1 698 158 158 THR CA C 67.308 0.3 1 699 158 158 THR CB C 66.454 0.3 1 700 158 158 THR N N 118.590 0.3 1 701 159 159 ARG H H 7.448 0.020 1 702 159 159 ARG C C 176.379 0.3 1 703 159 159 ARG CA C 58.106 0.3 1 704 159 159 ARG CB C 28.977 0.3 1 705 159 159 ARG N N 116.072 0.3 1 706 160 160 LEU H H 7.421 0.020 1 707 160 160 LEU C C 178.150 0.3 1 708 160 160 LEU CA C 54.275 0.3 1 709 160 160 LEU CB C 40.459 0.3 1 710 160 160 LEU N N 117.335 0.3 1 711 161 161 LEU H H 7.732 0.020 1 712 161 161 LEU CA C 53.558 0.3 1 713 161 161 LEU CB C 39.778 0.3 1 714 161 161 LEU N N 123.211 0.3 1 715 162 162 PRO C C 177.536 0.3 1 716 162 162 PRO CA C 63.972 0.3 1 717 162 162 PRO CB C 30.522 0.3 1 718 163 163 GLY H H 8.548 0.020 1 719 163 163 GLY C C 175.624 0.3 1 720 163 163 GLY CA C 45.052 0.3 1 721 163 163 GLY N N 110.110 0.3 1 722 164 164 ALA H H 8.047 0.020 1 723 164 164 ALA C C 178.056 0.3 1 724 164 164 ALA CA C 53.865 0.3 1 725 164 164 ALA CB C 18.747 0.3 1 726 164 164 ALA N N 123.933 0.3 1 727 165 165 LEU H H 8.067 0.020 1 728 165 165 LEU C C 177.914 0.3 1 729 165 165 LEU CA C 54.495 0.3 1 730 165 165 LEU CB C 41.158 0.3 1 731 165 165 LEU N N 117.146 0.3 1 732 166 166 GLY H H 7.975 0.020 1 733 166 166 GLY CA C 44.884 0.3 1 734 166 166 GLY N N 108.220 0.3 1 stop_ save_