data_16100 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution NMR Structure of the C-Terminal Domain of Protein DR_A0006 from Deinococcus radiodurans, Northeast Structural Genomics Consortium Target DrR147D ; _BMRB_accession_number 16100 _BMRB_flat_file_name bmr16100.str _Entry_type original _Submission_date 2008-12-31 _Accession_date 2008-12-31 _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 Mills Jeffrey L. . 2 Ghosh Arindam . . 3 Garcia Erwin . . 4 Wang Huang . . 5 Ciccosanti Colleen . . 6 Xiao Rong . . 7 Nair Rajesh . . 8 Everett John K. . 9 Swapna 'G. V. T.' . . 10 Acton Thomas B. . 11 Rost Burkhard . . 12 Montelione Gaetano T. . 13 Szyperski Thomas . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 729 "13C chemical shifts" 431 "15N chemical shifts" 118 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-06-02 update BMRB 'edit assembly name' 2009-02-19 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Solution NMR Structure of the C-Terminal Domain of Protein DR_A0006 from Deinococcus radiodurans, Northeast Structural Genomics Consortium Target DrR147D ; _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 Mills Jeffrey L. . 2 Ghosh Arindam . . 3 Garcia Erwin . . 4 Wang Huang . . 5 Ciccosanti Colleen . . 6 Xiao Rong . . 7 Nair Rajesh . . 8 Everett John K. . 9 Swapna 'G. V. T.' . . 10 Acton Thomas B. . 11 Rost Burkhard . . 12 Montelione Gaetano T. . 13 SZYPERSKI THOMAS . . 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 . loop_ _Keyword NESGC 'Protein structure' PSI stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name DR_A0006 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label DrR147D $DrR147D 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_DrR147D _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common DrR147D _Molecular_mass 17378.928 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 155 _Mol_residue_sequence ; MGETVVRDAVTIGKPAEQLY AVWRDLPGLPLLMTHLRSVE VLDDKRSRWTVEAPAPLGAV SWEAELTADEPGKRIAWRSL PGARIENSGEVLFRPAPGAR GTEVVVRLTYRPPGGSAGAV IARMFNQEPSQQLRDDLMRF KREQELGLEHHHHHH ; loop_ _Residue_seq_code _Residue_label 1 MET 2 GLY 3 GLU 4 THR 5 VAL 6 VAL 7 ARG 8 ASP 9 ALA 10 VAL 11 THR 12 ILE 13 GLY 14 LYS 15 PRO 16 ALA 17 GLU 18 GLN 19 LEU 20 TYR 21 ALA 22 VAL 23 TRP 24 ARG 25 ASP 26 LEU 27 PRO 28 GLY 29 LEU 30 PRO 31 LEU 32 LEU 33 MET 34 THR 35 HIS 36 LEU 37 ARG 38 SER 39 VAL 40 GLU 41 VAL 42 LEU 43 ASP 44 ASP 45 LYS 46 ARG 47 SER 48 ARG 49 TRP 50 THR 51 VAL 52 GLU 53 ALA 54 PRO 55 ALA 56 PRO 57 LEU 58 GLY 59 ALA 60 VAL 61 SER 62 TRP 63 GLU 64 ALA 65 GLU 66 LEU 67 THR 68 ALA 69 ASP 70 GLU 71 PRO 72 GLY 73 LYS 74 ARG 75 ILE 76 ALA 77 TRP 78 ARG 79 SER 80 LEU 81 PRO 82 GLY 83 ALA 84 ARG 85 ILE 86 GLU 87 ASN 88 SER 89 GLY 90 GLU 91 VAL 92 LEU 93 PHE 94 ARG 95 PRO 96 ALA 97 PRO 98 GLY 99 ALA 100 ARG 101 GLY 102 THR 103 GLU 104 VAL 105 VAL 106 VAL 107 ARG 108 LEU 109 THR 110 TYR 111 ARG 112 PRO 113 PRO 114 GLY 115 GLY 116 SER 117 ALA 118 GLY 119 ALA 120 VAL 121 ILE 122 ALA 123 ARG 124 MET 125 PHE 126 ASN 127 GLN 128 GLU 129 PRO 130 SER 131 GLN 132 GLN 133 LEU 134 ARG 135 ASP 136 ASP 137 LEU 138 MET 139 ARG 140 PHE 141 LYS 142 ARG 143 GLU 144 GLN 145 GLU 146 LEU 147 GLY 148 LEU 149 GLU 150 HIS 151 HIS 152 HIS 153 HIS 154 HIS 155 HIS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-30 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 2KCZ "Solution Nmr Structure Of The C-Terminal Domain Of Protein Dr_a0006 From Deinococcus Radiodurans. Northeast Structural Genomics" 100.00 155 100.00 100.00 1.68e-106 PDB 3GGN "Crystal Structure Of Dr_a0006 From Deinococcus Radiodurans. Northeast Structural Genomics Consortium Target Drr147d" 100.00 155 99.35 99.35 6.36e-106 GB AAF12292 "conserved hypothetical protein [Deinococcus radiodurans R1]" 94.19 268 99.32 99.32 1.77e-97 REF NP_285330 "hypothetical protein DR_A0006 [Deinococcus radiodurans R1]" 94.19 268 99.32 99.32 1.77e-97 REF WP_010889266 "cyclase [Deinococcus radiodurans]" 94.19 268 99.32 99.32 1.77e-97 REF WP_034349816 "cyclase [Deinococcus radiodurans]" 94.19 232 99.32 99.32 5.04e-98 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $DrR147D 'Deinococcus radiodurans' 1299 Bacteria . Deinococcus radiodurans 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 $DrR147D 'recombinant technology' . Escherichia coli . 'pET 21-23C' stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_NC _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $DrR147D 0.9 mM '[U-99% 13C; U-99% 15N]' D2O 10 % [U-2H] H2O 90 % 'natural abundance' DSS 50 uM 'natural abundance' DTT 10 mM 'natural abundance' 'sodium chloride' 200 mM 'natural abundance' 'sodium azide' 0.02 % 'natural abundance' 'calcium chloride' 5 mM 'natural abundance' 'ammonium acetate' 20 mM 'natural abundance' stop_ save_ save_NC5 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $DrR147D 0.9 mM '[U-5% 13C; U-99% 15N]' D2O 10 % [U-2H] H2O 90 % 'natural abundance' DSS 50 uM 'natural abundance' DTT 10 mM 'natural abundance' 'sodium chloride' 200 mM 'natural abundance' 'sodium azide' 0.02 % 'natural abundance' 'calcium chloride' 5 mM 'natural abundance' 'ammonium acetate' 20 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_VNMRJ _Saveframe_category software _Name VNMRJ _Version . loop_ _Vendor _Address _Electronic_address Varian . . stop_ loop_ _Task collection 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_NMRDraw _Saveframe_category software _Name NMRDraw _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_XEASY _Saveframe_category software _Name XEASY _Version . loop_ _Vendor _Address _Electronic_address 'Bartels et al.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_SPSCAN _Saveframe_category software _Name SPSCAN _Version . loop_ _Vendor _Address _Electronic_address Glaser . . stop_ loop_ _Task processing stop_ _Details . save_ save_AutoAssign _Saveframe_category software _Name AutoAssign _Version . loop_ _Vendor _Address _Electronic_address 'Zimmerman, Moseley, Kulikowski and Montelione' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_CSI _Saveframe_category software _Name CSI _Version . loop_ _Vendor _Address _Electronic_address 'Wishart and Sykes' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_TALOS _Saveframe_category software _Name TALOS _Version . loop_ _Vendor _Address _Electronic_address 'Cornilescu, Delaglio and Bax' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ 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_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_ save_Molmol _Saveframe_category software _Name Molmol _Version . loop_ _Vendor _Address _Electronic_address 'Koradi, Billeter and Wuthrich' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_PSVS _Saveframe_category software _Name PSVS _Version . loop_ _Vendor _Address _Electronic_address 'Bhattacharya and Montelione' . . 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_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 750 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label . save_ save_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label . save_ save_3D_HNCO_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label . save_ save_3D_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label . save_ save_3D_HNCA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label . save_ save_3D_CBCA(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label . save_ save_3D_HBHA(CO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label . save_ save_3D_HCCH-COSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-COSY' _Sample_label . save_ save_3D_simultaneous_NCaliCaro_HH_NOESY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D simultaneous NCaliCaro HH NOESY' _Sample_label . save_ save_2D_1H-13C_HSQC_10 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label . 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' 435 . mM pH 4.5 . pH pressure 1.0 . 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 _Indirect_shift_ratio_citation_label _Correction_value_citation_label DSS C 13 'methyl protons' ppm 0.00 . indirect . . . 0.251449530 $entry_citation $entry_citation DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 $entry_citation $entry_citation DSS N 15 'methyl protons' ppm 0.00 . indirect . . . 0.101329118 $entry_citation $entry_citation 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 $XEASY stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '3D simultaneous NCaliCaro HH NOESY' stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name DrR147D _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 GLY HA2 H 3.948 0.020 2 2 2 2 GLY HA3 H 3.940 0.020 2 3 2 2 GLY CA C 44.724 0.400 1 4 3 3 GLU H H 8.259 0.020 1 5 3 3 GLU HA H 4.392 0.020 1 6 3 3 GLU HB2 H 1.750 0.020 2 7 3 3 GLU HB3 H 1.702 0.020 2 8 3 3 GLU HG2 H 1.970 0.020 2 9 3 3 GLU HG3 H 1.967 0.020 2 10 3 3 GLU CA C 55.880 0.400 1 11 3 3 GLU CB C 30.626 0.400 1 12 3 3 GLU CG C 35.476 0.400 1 13 3 3 GLU N N 119.451 0.400 1 14 4 4 THR H H 8.819 0.020 1 15 4 4 THR HA H 4.225 0.020 1 16 4 4 THR HB H 2.929 0.020 1 17 4 4 THR HG2 H 0.975 0.020 1 18 4 4 THR CA C 62.626 0.400 1 19 4 4 THR CB C 69.978 0.400 1 20 4 4 THR CG2 C 20.820 0.400 1 21 4 4 THR N N 122.510 0.400 1 22 5 5 VAL H H 8.307 0.020 1 23 5 5 VAL HA H 4.797 0.020 1 24 5 5 VAL HB H 1.819 0.020 1 25 5 5 VAL HG1 H 0.818 0.020 2 26 5 5 VAL HG2 H 0.731 0.020 2 27 5 5 VAL CA C 60.724 0.400 1 28 5 5 VAL CB C 33.724 0.400 1 29 5 5 VAL CG1 C 20.691 0.400 1 30 5 5 VAL CG2 C 20.610 0.400 1 31 5 5 VAL N N 125.677 0.400 1 32 6 6 VAL H H 9.421 0.020 1 33 6 6 VAL HA H 4.383 0.020 1 34 6 6 VAL HB H 2.023 0.020 1 35 6 6 VAL HG1 H 0.943 0.020 2 36 6 6 VAL HG2 H 0.888 0.020 2 37 6 6 VAL CA C 60.511 0.400 1 38 6 6 VAL CB C 33.952 0.400 1 39 6 6 VAL CG1 C 20.899 0.400 1 40 6 6 VAL CG2 C 21.932 0.400 1 41 6 6 VAL N N 128.035 0.400 1 42 7 7 ARG H H 8.601 0.020 1 43 7 7 ARG HA H 5.674 0.020 1 44 7 7 ARG HB2 H 1.660 0.020 2 45 7 7 ARG HB3 H 1.576 0.020 2 46 7 7 ARG HD2 H 3.006 0.020 2 47 7 7 ARG HD3 H 2.992 0.020 2 48 7 7 ARG HE H 7.207 0.020 1 49 7 7 ARG HG2 H 1.440 0.020 2 50 7 7 ARG HG3 H 1.424 0.020 2 51 7 7 ARG CA C 54.064 0.400 1 52 7 7 ARG CB C 33.740 0.400 1 53 7 7 ARG CD C 43.355 0.400 1 54 7 7 ARG CG C 26.781 0.400 1 55 7 7 ARG N N 125.676 0.400 1 56 8 8 ASP H H 8.853 0.020 1 57 8 8 ASP HA H 4.858 0.020 1 58 8 8 ASP HB2 H 2.683 0.020 2 59 8 8 ASP HB3 H 2.436 0.020 2 60 8 8 ASP CA C 53.286 0.400 1 61 8 8 ASP CB C 43.686 0.400 1 62 8 8 ASP N N 122.072 0.400 1 63 9 9 ALA H H 8.579 0.020 1 64 9 9 ALA HA H 5.735 0.020 1 65 9 9 ALA HB H 1.270 0.020 1 66 9 9 ALA CA C 50.691 0.400 1 67 9 9 ALA CB C 24.053 0.400 1 68 9 9 ALA N N 121.421 0.400 1 69 10 10 VAL H H 8.758 0.020 1 70 10 10 VAL HA H 4.705 0.020 1 71 10 10 VAL HB H 2.129 0.020 1 72 10 10 VAL HG1 H 1.060 0.020 2 73 10 10 VAL HG2 H 1.069 0.020 2 74 10 10 VAL CA C 59.772 0.400 1 75 10 10 VAL CB C 35.989 0.400 1 76 10 10 VAL CG1 C 21.318 0.400 1 77 10 10 VAL CG2 C 20.616 0.400 1 78 10 10 VAL N N 116.077 0.400 1 79 11 11 THR H H 8.639 0.020 1 80 11 11 THR HA H 5.143 0.020 1 81 11 11 THR HB H 3.931 0.020 1 82 11 11 THR HG2 H 0.945 0.020 1 83 11 11 THR CA C 61.935 0.400 1 84 11 11 THR CB C 69.113 0.400 1 85 11 11 THR CG2 C 21.440 0.400 1 86 11 11 THR N N 120.359 0.400 1 87 12 12 ILE H H 9.318 0.020 1 88 12 12 ILE HA H 4.448 0.020 1 89 12 12 ILE HB H 1.723 0.020 1 90 12 12 ILE HD1 H 0.817 0.020 1 91 12 12 ILE HG12 H 1.150 0.020 2 92 12 12 ILE HG13 H 1.032 0.020 2 93 12 12 ILE HG2 H 0.901 0.020 1 94 12 12 ILE CA C 59.599 0.400 1 95 12 12 ILE CB C 41.091 0.400 1 96 12 12 ILE CD1 C 15.356 0.400 1 97 12 12 ILE CG1 C 27.650 0.400 1 98 12 12 ILE CG2 C 17.539 0.400 1 99 12 12 ILE N N 125.268 0.400 1 100 13 13 GLY H H 10.403 0.020 1 101 13 13 GLY HA2 H 4.579 0.020 2 102 13 13 GLY HA3 H 3.501 0.020 2 103 13 13 GLY CA C 47.837 0.400 1 104 13 13 GLY N N 120.402 0.400 1 105 14 14 LYS H H 8.610 0.020 1 106 14 14 LYS HA H 4.891 0.020 1 107 14 14 LYS HB2 H 1.704 0.020 2 108 14 14 LYS HB3 H 1.356 0.020 2 109 14 14 LYS HD2 H 1.951 0.020 2 110 14 14 LYS HD3 H 1.736 0.020 2 111 14 14 LYS HE2 H 3.064 0.020 2 112 14 14 LYS HE3 H 2.948 0.020 2 113 14 14 LYS HG2 H 1.534 0.020 2 114 14 14 LYS HG3 H 1.260 0.020 2 115 14 14 LYS CA C 52.508 0.400 1 116 14 14 LYS CB C 36.343 0.400 1 117 14 14 LYS CD C 28.422 0.400 1 118 14 14 LYS CE C 42.050 0.400 1 119 14 14 LYS CG C 24.765 0.400 1 120 14 14 LYS N N 122.883 0.400 1 121 15 15 PRO HA H 4.449 0.020 1 122 15 15 PRO HB2 H 2.567 0.020 2 123 15 15 PRO HB3 H 1.984 0.020 2 124 15 15 PRO HD2 H 3.874 0.020 2 125 15 15 PRO HD3 H 3.466 0.020 2 126 15 15 PRO HG2 H 2.081 0.020 2 127 15 15 PRO HG3 H 2.029 0.020 2 128 15 15 PRO CA C 62.280 0.400 1 129 15 15 PRO CB C 32.875 0.400 1 130 15 15 PRO CD C 51.232 0.400 1 131 15 15 PRO CG C 27.651 0.400 1 132 16 16 ALA H H 8.509 0.020 1 133 16 16 ALA HA H 3.801 0.020 1 134 16 16 ALA HB H 1.480 0.020 1 135 16 16 ALA CA C 56.053 0.400 1 136 16 16 ALA CB C 19.037 0.400 1 137 16 16 ALA N N 125.684 0.400 1 138 17 17 GLU H H 9.433 0.020 1 139 17 17 GLU HA H 3.706 0.020 1 140 17 17 GLU HB2 H 2.089 0.020 2 141 17 17 GLU HB3 H 2.017 0.020 2 142 17 17 GLU HG2 H 2.401 0.020 2 143 17 17 GLU HG3 H 2.301 0.020 2 144 17 17 GLU CA C 60.551 0.400 1 145 17 17 GLU CB C 27.859 0.400 1 146 17 17 GLU CG C 35.472 0.400 1 147 17 17 GLU N N 115.647 0.400 1 148 18 18 GLN H H 7.020 0.020 1 149 18 18 GLN HA H 4.171 0.020 1 150 18 18 GLN HB2 H 2.086 0.020 2 151 18 18 GLN HB3 H 2.075 0.020 2 152 18 18 GLN HG2 H 2.438 0.020 2 153 18 18 GLN HG3 H 2.430 0.020 2 154 18 18 GLN CA C 58.216 0.400 1 155 18 18 GLN CB C 28.551 0.400 1 156 18 18 GLN CG C 33.720 0.400 1 157 18 18 GLN N N 116.713 0.400 1 158 19 19 LEU H H 7.206 0.020 1 159 19 19 LEU HA H 4.263 0.020 1 160 19 19 LEU HB2 H 1.966 0.020 2 161 19 19 LEU HB3 H 1.588 0.020 2 162 19 19 LEU HD1 H 0.931 0.020 2 163 19 19 LEU HD2 H 0.826 0.020 2 164 19 19 LEU HG H 1.821 0.020 1 165 19 19 LEU CA C 57.178 0.400 1 166 19 19 LEU CB C 42.129 0.400 1 167 19 19 LEU CD1 C 27.252 0.400 1 168 19 19 LEU CD2 C 22.784 0.400 1 169 19 19 LEU CG C 26.770 0.400 1 170 19 19 LEU N N 118.756 0.400 1 171 20 20 TYR H H 8.287 0.020 1 172 20 20 TYR HA H 3.544 0.020 1 173 20 20 TYR HB2 H 2.712 0.020 2 174 20 20 TYR HB3 H 1.907 0.020 2 175 20 20 TYR HD1 H 6.930 0.020 1 176 20 20 TYR HD2 H 6.930 0.020 1 177 20 20 TYR HE1 H 7.503 0.020 1 178 20 20 TYR HE2 H 7.503 0.020 1 179 20 20 TYR CA C 60.683 0.400 1 180 20 20 TYR CB C 37.218 0.400 1 181 20 20 TYR CD1 C 132.339 0.400 1 182 20 20 TYR CE1 C 118.306 0.400 1 183 20 20 TYR N N 120.392 0.400 1 184 21 21 ALA H H 7.465 0.020 1 185 21 21 ALA HA H 3.670 0.020 1 186 21 21 ALA HB H 1.519 0.020 1 187 21 21 ALA CA C 54.670 0.400 1 188 21 21 ALA CB C 17.826 0.400 1 189 21 21 ALA N N 119.301 0.400 1 190 22 22 VAL H H 7.129 0.020 1 191 22 22 VAL HA H 3.670 0.020 1 192 22 22 VAL HB H 2.311 0.020 1 193 22 22 VAL HG1 H 1.217 0.020 2 194 22 22 VAL HG2 H 0.846 0.020 2 195 22 22 VAL CA C 65.653 0.400 1 196 22 22 VAL CB C 31.924 0.400 1 197 22 22 VAL CG1 C 22.042 0.400 1 198 22 22 VAL CG2 C 22.042 0.400 1 199 22 22 VAL N N 115.785 0.400 1 200 23 23 TRP H H 7.153 0.020 1 201 23 23 TRP HA H 3.622 0.020 1 202 23 23 TRP HB2 H 3.244 0.020 2 203 23 23 TRP HB3 H 2.922 0.020 2 204 23 23 TRP HD1 H 7.467 0.020 1 205 23 23 TRP HH2 H 7.060 0.020 1 206 23 23 TRP HZ2 H 7.373 0.020 1 207 23 23 TRP CA C 60.464 0.400 1 208 23 23 TRP CB C 29.076 0.400 1 209 23 23 TRP CD1 C 124.304 0.400 1 210 23 23 TRP N N 119.845 0.400 1 211 24 24 ARG H H 7.922 0.020 1 212 24 24 ARG HA H 3.988 0.020 1 213 24 24 ARG HB2 H 1.388 0.020 2 214 24 24 ARG HB3 H 0.791 0.020 2 215 24 24 ARG HD2 H 3.130 0.020 2 216 24 24 ARG HD3 H 3.130 0.020 2 217 24 24 ARG HG2 H 0.938 0.020 2 218 24 24 ARG HG3 H 0.933 0.020 2 219 24 24 ARG CA C 52.767 0.400 1 220 24 24 ARG CB C 29.243 0.400 1 221 24 24 ARG CD C 43.100 0.400 1 222 24 24 ARG CG C 27.178 0.400 1 223 24 24 ARG N N 111.929 0.400 1 224 25 25 ASP H H 6.740 0.020 1 225 25 25 ASP HA H 4.655 0.020 1 226 25 25 ASP HB2 H 2.971 0.020 2 227 25 25 ASP HB3 H 2.476 0.020 2 228 25 25 ASP CA C 51.470 0.400 1 229 25 25 ASP CB C 37.891 0.400 1 230 25 25 ASP N N 117.196 0.400 1 231 26 26 LEU H H 7.945 0.020 1 232 26 26 LEU HA H 3.820 0.020 1 233 26 26 LEU HB2 H 1.485 0.020 2 234 26 26 LEU HB3 H 0.966 0.020 2 235 26 26 LEU HD1 H 0.792 0.020 2 236 26 26 LEU HD2 H 0.317 0.020 2 237 26 26 LEU HG H 1.522 0.020 1 238 26 26 LEU CA C 58.697 0.400 1 239 26 26 LEU CB C 38.929 0.400 1 240 26 26 LEU CD1 C 21.273 0.400 1 241 26 26 LEU CD2 C 25.428 0.400 1 242 26 26 LEU CG C 26.770 0.400 1 243 26 26 LEU N N 125.403 0.400 1 244 27 27 PRO HA H 4.584 0.020 1 245 27 27 PRO HB2 H 2.456 0.020 2 246 27 27 PRO HB3 H 2.016 0.020 2 247 27 27 PRO HD2 H 3.639 0.020 2 248 27 27 PRO HD3 H 3.481 0.020 2 249 27 27 PRO HG2 H 1.930 0.020 2 250 27 27 PRO HG3 H 1.921 0.020 2 251 27 27 PRO CA C 62.453 0.400 1 252 27 27 PRO CB C 31.946 0.400 1 253 27 27 PRO CD C 50.212 0.400 1 254 27 27 PRO CG C 27.140 0.400 1 255 28 28 GLY H H 8.344 0.020 1 256 28 28 GLY HA2 H 4.049 0.020 2 257 28 28 GLY HA3 H 3.553 0.020 2 258 28 28 GLY CA C 44.205 0.400 1 259 28 28 GLY N N 106.650 0.400 1 260 29 29 LEU H H 8.000 0.020 1 261 29 29 LEU HA H 3.755 0.020 1 262 29 29 LEU HB2 H 1.399 0.020 2 263 29 29 LEU HB3 H 0.700 0.020 2 264 29 29 LEU HD1 H 0.456 0.020 2 265 29 29 LEU HD2 H 0.325 0.020 2 266 29 29 LEU HG H 1.510 0.020 1 267 29 29 LEU CA C 58.648 0.400 1 268 29 29 LEU CB C 39.708 0.400 1 269 29 29 LEU CD1 C 23.224 0.400 1 270 29 29 LEU CD2 C 25.634 0.400 1 271 29 29 LEU CG C 26.770 0.400 1 272 29 29 LEU N N 124.915 0.400 1 273 30 30 PRO HA H 4.251 0.020 1 274 30 30 PRO HB2 H 1.897 0.020 2 275 30 30 PRO HB3 H 1.891 0.020 2 276 30 30 PRO CA C 64.962 0.400 1 277 30 30 PRO CB C 30.540 0.400 1 278 31 31 LEU H H 7.438 0.020 1 279 31 31 LEU HA H 4.047 0.020 1 280 31 31 LEU HB2 H 1.418 0.020 2 281 31 31 LEU HB3 H 1.408 0.020 2 282 31 31 LEU HD1 H 0.762 0.020 2 283 31 31 LEU HD2 H 0.707 0.020 2 284 31 31 LEU HG H 1.540 0.020 1 285 31 31 LEU CA C 55.448 0.400 1 286 31 31 LEU CB C 40.486 0.400 1 287 31 31 LEU CD1 C 24.936 0.400 1 288 31 31 LEU CD2 C 22.349 0.400 1 289 31 31 LEU CG C 27.154 0.400 1 290 31 31 LEU N N 112.987 0.400 1 291 32 32 LEU H H 7.536 0.020 1 292 32 32 LEU HA H 4.103 0.020 1 293 32 32 LEU HB2 H 1.145 0.020 2 294 32 32 LEU HB3 H 0.663 0.020 2 295 32 32 LEU HD1 H -0.085 0.020 2 296 32 32 LEU HD2 H -0.680 0.020 2 297 32 32 LEU HG H 1.540 0.020 1 298 32 32 LEU CA C 55.448 0.400 1 299 32 32 LEU CB C 43.487 0.400 1 300 32 32 LEU CD1 C 22.788 0.400 1 301 32 32 LEU CD2 C 23.666 0.400 1 302 32 32 LEU CG C 26.770 0.400 1 303 32 32 LEU N N 119.514 0.400 1 304 33 33 MET H H 7.605 0.020 1 305 33 33 MET CA C 54.237 0.400 1 306 33 33 MET N N 117.077 0.400 1 307 37 37 ARG HA H 4.350 0.020 1 308 37 37 ARG HB2 H 1.543 0.020 2 309 37 37 ARG HB3 H 1.510 0.020 2 310 37 37 ARG CA C 56.790 0.400 1 311 37 37 ARG CB C 31.145 0.400 1 312 38 38 SER H H 7.395 0.020 1 313 38 38 SER HA H 4.447 0.020 1 314 38 38 SER HB2 H 3.665 0.020 2 315 38 38 SER HB3 H 3.604 0.020 2 316 38 38 SER CA C 57.264 0.400 1 317 38 38 SER CB C 64.875 0.400 1 318 38 38 SER N N 107.358 0.400 1 319 39 39 VAL H H 8.415 0.020 1 320 39 39 VAL HA H 4.169 0.020 1 321 39 39 VAL HB H 1.406 0.020 1 322 39 39 VAL HG1 H -0.363 0.020 2 323 39 39 VAL HG2 H -0.367 0.020 2 324 39 39 VAL CA C 62.280 0.400 1 325 39 39 VAL CB C 33.653 0.400 1 326 39 39 VAL CG1 C 21.056 0.400 1 327 39 39 VAL CG2 C 21.056 0.400 1 328 39 39 VAL N N 121.496 0.400 1 329 40 40 GLU H H 8.765 0.020 1 330 40 40 GLU HA H 4.517 0.020 1 331 40 40 GLU HB2 H 1.927 0.020 2 332 40 40 GLU HB3 H 1.739 0.020 2 333 40 40 GLU HG2 H 2.086 0.020 2 334 40 40 GLU HG3 H 2.064 0.020 2 335 40 40 GLU CA C 53.113 0.400 1 336 40 40 GLU CB C 32.702 0.400 1 337 40 40 GLU CG C 35.076 0.400 1 338 40 40 GLU N N 124.906 0.400 1 339 41 41 VAL H H 9.012 0.020 1 340 41 41 VAL HA H 3.631 0.020 1 341 41 41 VAL HB H 1.993 0.020 1 342 41 41 VAL HG1 H 0.986 0.020 2 343 41 41 VAL HG2 H 0.970 0.020 2 344 41 41 VAL CA C 64.529 0.400 1 345 41 41 VAL CB C 31.974 0.400 1 346 41 41 VAL CG1 C 21.313 0.400 1 347 41 41 VAL CG2 C 21.282 0.400 1 348 41 41 VAL N N 126.387 0.400 1 349 42 42 LEU H H 8.785 0.020 1 350 42 42 LEU HA H 4.488 0.020 1 351 42 42 LEU HB2 H 1.497 0.020 2 352 42 42 LEU HB3 H 1.455 0.020 2 353 42 42 LEU HD1 H 0.726 0.020 2 354 42 42 LEU HD2 H 0.721 0.020 2 355 42 42 LEU HG H 1.540 0.020 1 356 42 42 LEU CA C 55.794 0.400 1 357 42 42 LEU CB C 42.129 0.400 1 358 42 42 LEU CD1 C 20.606 0.400 1 359 42 42 LEU CD2 C 20.633 0.400 1 360 42 42 LEU CG C 26.770 0.400 1 361 42 42 LEU N N 129.060 0.400 1 362 43 43 ASP H H 8.362 0.020 1 363 43 43 ASP HA H 4.502 0.020 1 364 43 43 ASP HB2 H 3.125 0.020 2 365 43 43 ASP HB3 H 3.114 0.020 2 366 43 43 ASP CA C 53.545 0.400 1 367 43 43 ASP CB C 39.880 0.400 1 368 43 43 ASP N N 117.113 0.400 1 369 44 44 ASP H H 8.427 0.020 1 370 44 44 ASP HA H 4.399 0.020 1 371 44 44 ASP HB2 H 2.779 0.020 2 372 44 44 ASP HB3 H 2.774 0.020 2 373 44 44 ASP CA C 57.091 0.400 1 374 44 44 ASP CB C 39.967 0.400 1 375 44 44 ASP N N 112.996 0.400 1 376 45 45 LYS H H 8.663 0.020 1 377 45 45 LYS HA H 4.754 0.020 1 378 45 45 LYS HB2 H 2.075 0.020 2 379 45 45 LYS HB3 H 2.000 0.020 2 380 45 45 LYS HD2 H 1.763 0.020 2 381 45 45 LYS HD3 H 1.832 0.020 2 382 45 45 LYS HE2 H 3.076 0.020 2 383 45 45 LYS HE3 H 3.072 0.020 2 384 45 45 LYS HG2 H 1.526 0.020 2 385 45 45 LYS HG3 H 1.526 0.020 2 386 45 45 LYS CA C 56.832 0.400 1 387 45 45 LYS CB C 35.383 0.400 1 388 45 45 LYS CD C 28.780 0.400 1 389 45 45 LYS CE C 42.045 0.400 1 390 45 45 LYS CG C 24.979 0.400 1 391 45 45 LYS N N 116.697 0.400 1 392 46 46 ARG H H 8.890 0.020 1 393 46 46 ARG HA H 5.697 0.020 1 394 46 46 ARG HB2 H 1.988 0.020 2 395 46 46 ARG HB3 H 1.804 0.020 2 396 46 46 ARG HD2 H 3.345 0.020 2 397 46 46 ARG HD3 H 3.284 0.020 2 398 46 46 ARG HG2 H 1.890 0.020 2 399 46 46 ARG HG3 H 1.670 0.020 2 400 46 46 ARG CA C 55.794 0.400 1 401 46 46 ARG CB C 33.653 0.400 1 402 46 46 ARG CD C 43.340 0.400 1 403 46 46 ARG CG C 28.471 0.400 1 404 46 46 ARG N N 121.899 0.400 1 405 47 47 SER H H 9.185 0.020 1 406 47 47 SER HA H 5.173 0.020 1 407 47 47 SER HB2 H 3.900 0.020 2 408 47 47 SER HB3 H 3.478 0.020 2 409 47 47 SER CA C 56.399 0.400 1 410 47 47 SER CB C 64.889 0.400 1 411 47 47 SER N N 114.066 0.400 1 412 48 48 ARG H H 9.609 0.020 1 413 48 48 ARG CA C 54.583 0.400 1 414 48 48 ARG CB C 32.962 0.400 1 415 48 48 ARG N N 120.458 0.400 1 416 51 51 VAL HA H 4.165 0.020 1 417 51 51 VAL HB H 1.990 0.020 1 418 51 51 VAL HG1 H 0.840 0.020 2 419 51 51 VAL HG2 H 0.830 0.020 2 420 51 51 VAL CA C 62.480 0.400 1 421 51 51 VAL CB C 32.660 0.400 1 422 51 51 VAL CG1 C 21.380 0.400 1 423 51 51 VAL CG2 C 21.310 0.400 1 424 52 52 GLU H H 8.320 0.020 1 425 52 52 GLU HA H 4.591 0.020 1 426 52 52 GLU HB2 H 1.950 0.020 2 427 52 52 GLU HB3 H 1.785 0.020 2 428 52 52 GLU HG2 H 2.168 0.020 2 429 52 52 GLU HG3 H 2.163 0.020 2 430 52 52 GLU CA C 55.189 0.400 1 431 52 52 GLU CB C 29.762 0.400 1 432 52 52 GLU CG C 34.982 0.400 1 433 52 52 GLU N N 120.516 0.400 1 434 53 53 ALA H H 7.907 0.020 1 435 53 53 ALA HA H 4.799 0.020 1 436 53 53 ALA HB H 1.375 0.020 1 437 53 53 ALA CA C 49.221 0.400 1 438 53 53 ALA CB C 19.989 0.400 1 439 53 53 ALA N N 128.355 0.400 1 440 54 54 PRO HA H 4.419 0.020 1 441 54 54 PRO HB2 H 2.393 0.020 2 442 54 54 PRO HB3 H 1.832 0.020 2 443 54 54 PRO HD2 H 3.743 0.020 2 444 54 54 PRO HD3 H 3.308 0.020 2 445 54 54 PRO HG2 H 1.937 0.020 2 446 54 54 PRO HG3 H 1.936 0.020 2 447 54 54 PRO CA C 62.021 0.400 1 448 54 54 PRO CB C 31.973 0.400 1 449 54 54 PRO CD C 50.280 0.400 1 450 54 54 PRO CG C 27.140 0.400 1 451 55 55 ALA H H 8.619 0.020 1 452 55 55 ALA HA H 4.180 0.020 1 453 55 55 ALA HB H 1.343 0.020 1 454 55 55 ALA CA C 51.729 0.400 1 455 55 55 ALA CB C 16.962 0.400 1 456 55 55 ALA N N 125.990 0.400 1 457 56 56 PRO HA H 4.579 0.020 1 458 56 56 PRO HB2 H 2.364 0.020 2 459 56 56 PRO HB3 H 2.213 0.020 2 460 56 56 PRO HD2 H 3.505 0.020 2 461 56 56 PRO HD3 H 3.482 0.020 2 462 56 56 PRO HG2 H 2.003 0.020 2 463 56 56 PRO HG3 H 2.000 0.020 2 464 56 56 PRO CA C 63.318 0.400 1 465 56 56 PRO CB C 33.653 0.400 1 466 56 56 PRO CD C 49.913 0.400 1 467 56 56 PRO CG C 27.140 0.400 1 468 57 57 LEU H H 8.288 0.020 1 469 57 57 LEU HA H 4.239 0.020 1 470 57 57 LEU HB2 H 1.654 0.020 2 471 57 57 LEU HB3 H 1.626 0.020 2 472 57 57 LEU HD1 H 0.872 0.020 2 473 57 57 LEU HD2 H 0.807 0.020 2 474 57 57 LEU HG H 1.449 0.020 1 475 57 57 LEU CA C 57.351 0.400 1 476 57 57 LEU CB C 42.216 0.400 1 477 57 57 LEU CD1 C 24.100 0.400 1 478 57 57 LEU CD2 C 24.100 0.400 1 479 57 57 LEU CG C 26.770 0.400 1 480 57 57 LEU N N 126.767 0.400 1 481 58 58 GLY H H 6.968 0.020 1 482 58 58 GLY HA2 H 3.909 0.020 2 483 58 58 GLY HA3 H 3.699 0.020 2 484 58 58 GLY CA C 45.685 0.400 1 485 58 58 GLY N N 105.312 0.400 1 486 59 59 ALA H H 8.111 0.020 1 487 59 59 ALA HA H 4.819 0.020 1 488 59 59 ALA HB H 1.259 0.020 1 489 59 59 ALA CA C 52.162 0.400 1 490 59 59 ALA CB C 19.003 0.400 1 491 59 59 ALA N N 123.443 0.400 1 492 60 60 VAL H H 8.911 0.020 1 493 60 60 VAL HA H 4.424 0.020 1 494 60 60 VAL HB H 2.066 0.020 1 495 60 60 VAL HG1 H 0.987 0.020 2 496 60 60 VAL HG2 H 0.977 0.020 2 497 60 60 VAL CA C 61.416 0.400 1 498 60 60 VAL CB C 26.992 0.400 1 499 60 60 VAL CG1 C 21.056 0.400 1 500 60 60 VAL CG2 C 21.056 0.400 1 501 60 60 VAL N N 123.358 0.400 1 502 62 62 TRP HA H 5.112 0.020 1 503 62 62 TRP HB2 H 3.560 0.020 2 504 62 62 TRP HB3 H 3.434 0.020 2 505 62 62 TRP CA C 57.178 0.400 1 506 62 62 TRP CB C 31.664 0.400 1 507 62 62 TRP CD1 C 126.160 0.400 1 508 63 63 GLU H H 8.846 0.020 1 509 63 63 GLU HA H 5.573 0.020 1 510 63 63 GLU HB2 H 2.067 0.020 2 511 63 63 GLU HB3 H 2.066 0.020 2 512 63 63 GLU HG2 H 2.453 0.020 2 513 63 63 GLU HG3 H 2.190 0.020 2 514 63 63 GLU CA C 54.670 0.400 1 515 63 63 GLU CB C 31.924 0.400 1 516 63 63 GLU CG C 36.010 0.400 1 517 63 63 GLU N N 118.496 0.400 1 518 64 64 ALA H H 9.517 0.020 1 519 64 64 ALA HA H 5.157 0.020 1 520 64 64 ALA HB H 0.922 0.020 1 521 64 64 ALA CA C 50.518 0.400 1 522 64 64 ALA CB C 23.102 0.400 1 523 64 64 ALA N N 126.372 0.400 1 524 65 65 GLU H H 8.930 0.020 1 525 65 65 GLU HA H 5.687 0.020 1 526 65 65 GLU HB2 H 2.037 0.020 2 527 65 65 GLU HB3 H 1.943 0.020 2 528 65 65 GLU HG2 H 2.119 0.020 2 529 65 65 GLU HG3 H 2.117 0.020 2 530 65 65 GLU CA C 52.424 0.400 1 531 65 65 GLU CB C 32.962 0.400 1 532 65 65 GLU CG C 35.076 0.400 1 533 65 65 GLU N N 114.620 0.400 1 534 66 66 LEU H H 8.722 0.020 1 535 66 66 LEU HA H 5.281 0.020 1 536 66 66 LEU HB2 H 1.961 0.020 2 537 66 66 LEU HB3 H 1.730 0.020 2 538 66 66 LEU HD1 H 1.199 0.020 2 539 66 66 LEU HD2 H 1.170 0.020 2 540 66 66 LEU HG H 1.604 0.020 1 541 66 66 LEU CA C 54.843 0.400 1 542 66 66 LEU CB C 42.475 0.400 1 543 66 66 LEU CD1 C 23.662 0.400 1 544 66 66 LEU CD2 C 25.408 0.400 1 545 66 66 LEU CG C 26.770 0.400 1 546 66 66 LEU N N 122.494 0.400 1 547 67 67 THR H H 9.274 0.020 1 548 67 67 THR HA H 4.373 0.020 1 549 67 67 THR HB H 4.279 0.020 1 550 67 67 THR HG2 H 1.163 0.020 1 551 67 67 THR CA C 61.589 0.400 1 552 67 67 THR CB C 68.421 0.400 1 553 67 67 THR CG2 C 22.639 0.400 1 554 67 67 THR N N 117.223 0.400 1 555 68 68 ALA H H 7.874 0.020 1 556 68 68 ALA HA H 4.511 0.020 1 557 68 68 ALA HB H 1.357 0.020 1 558 68 68 ALA CA C 52.680 0.400 1 559 68 68 ALA CB C 22.064 0.400 1 560 68 68 ALA N N 123.002 0.400 1 561 69 69 ASP H H 8.704 0.020 1 562 69 69 ASP HA H 5.298 0.020 1 563 69 69 ASP HB2 H 2.863 0.020 2 564 69 69 ASP HB3 H 2.793 0.020 2 565 69 69 ASP CA C 54.246 0.400 1 566 69 69 ASP CB C 40.524 0.400 1 567 69 69 ASP N N 119.482 0.400 1 568 70 70 GLU H H 9.509 0.020 1 569 70 70 GLU HA H 4.993 0.020 1 570 70 70 GLU HB2 H 2.152 0.020 2 571 70 70 GLU HB3 H 2.003 0.020 2 572 70 70 GLU HG2 H 2.316 0.020 2 573 70 70 GLU HG3 H 2.228 0.020 2 574 70 70 GLU CA C 51.809 0.400 1 575 70 70 GLU CB C 31.232 0.400 1 576 70 70 GLU CG C 35.241 0.400 1 577 70 70 GLU N N 125.712 0.400 1 578 71 71 PRO HA H 4.703 0.020 1 579 71 71 PRO HB2 H 1.926 0.020 2 580 71 71 PRO HB3 H 1.932 0.020 2 581 71 71 PRO HD2 H 3.956 0.020 2 582 71 71 PRO HD3 H 3.724 0.020 2 583 71 71 PRO HG2 H 2.102 0.020 2 584 71 71 PRO HG3 H 2.087 0.020 2 585 71 71 PRO CA C 63.300 0.400 1 586 71 71 PRO CB C 31.634 0.400 1 587 71 71 PRO CD C 50.355 0.400 1 588 71 71 PRO CG C 27.813 0.400 1 589 72 72 GLY HA2 H 3.950 0.020 2 590 72 72 GLY HA3 H 2.762 0.020 2 591 72 72 GLY CA C 45.502 0.400 1 592 73 73 LYS H H 8.345 0.020 1 593 73 73 LYS HA H 5.188 0.020 1 594 73 73 LYS HB2 H 1.843 0.020 2 595 73 73 LYS HB3 H 1.614 0.020 2 596 73 73 LYS HD2 H 1.704 0.020 2 597 73 73 LYS HD3 H 1.656 0.020 2 598 73 73 LYS HE2 H 2.994 0.020 2 599 73 73 LYS HE3 H 2.999 0.020 2 600 73 73 LYS HG2 H 1.399 0.020 2 601 73 73 LYS HG3 H 1.388 0.020 2 602 73 73 LYS CA C 58.562 0.400 1 603 73 73 LYS CB C 36.594 0.400 1 604 73 73 LYS CD C 28.918 0.400 1 605 73 73 LYS CE C 42.037 0.400 1 606 73 73 LYS CG C 24.910 0.400 1 607 73 73 LYS N N 115.647 0.400 1 608 74 74 ARG H H 8.953 0.020 1 609 74 74 ARG HA H 5.692 0.020 1 610 74 74 ARG HB2 H 1.779 0.020 2 611 74 74 ARG HB3 H 1.769 0.020 2 612 74 74 ARG HD2 H 3.049 0.020 2 613 74 74 ARG HD3 H 3.051 0.020 2 614 74 74 ARG HG2 H 1.497 0.020 2 615 74 74 ARG HG3 H 1.177 0.020 2 616 74 74 ARG CA C 56.745 0.400 1 617 74 74 ARG CB C 33.913 0.400 1 618 74 74 ARG CD C 43.350 0.400 1 619 74 74 ARG CG C 28.035 0.400 1 620 74 74 ARG N N 120.448 0.400 1 621 75 75 ILE H H 9.045 0.020 1 622 75 75 ILE HA H 4.852 0.020 1 623 75 75 ILE HB H 1.867 0.020 1 624 75 75 ILE HD1 H 0.912 0.020 1 625 75 75 ILE HG12 H 1.360 0.020 2 626 75 75 ILE HG13 H 1.357 0.020 2 627 75 75 ILE HG2 H 1.341 0.020 1 628 75 75 ILE CA C 60.724 0.400 1 629 75 75 ILE CB C 42.821 0.400 1 630 75 75 ILE CD1 C 15.093 0.400 1 631 75 75 ILE CG1 C 28.473 0.400 1 632 75 75 ILE CG2 C 17.944 0.400 1 633 75 75 ILE N N 124.647 0.400 1 634 76 76 ALA H H 9.074 0.020 1 635 76 76 ALA HA H 5.158 0.020 1 636 76 76 ALA HB H 1.363 0.020 1 637 76 76 ALA CA C 51.556 0.400 1 638 76 76 ALA CB C 23.189 0.400 1 639 76 76 ALA N N 127.321 0.400 1 640 77 77 TRP H H 8.568 0.020 1 641 77 77 TRP HA H 6.085 0.020 1 642 77 77 TRP HB2 H 3.415 0.020 2 643 77 77 TRP HB3 H 2.935 0.020 2 644 77 77 TRP CA C 56.477 0.400 1 645 77 77 TRP CB C 32.957 0.400 1 646 77 77 TRP N N 118.030 0.400 1 647 78 78 ARG H H 9.054 0.020 1 648 78 78 ARG HA H 4.944 0.020 1 649 78 78 ARG HB2 H 2.026 0.020 2 650 78 78 ARG HB3 H 1.927 0.020 2 651 78 78 ARG HD2 H 3.188 0.020 2 652 78 78 ARG HD3 H 3.107 0.020 2 653 78 78 ARG HG2 H 1.644 0.020 2 654 78 78 ARG HG3 H 1.636 0.020 2 655 78 78 ARG CA C 55.275 0.400 1 656 78 78 ARG CB C 33.567 0.400 1 657 78 78 ARG CD C 43.100 0.400 1 658 78 78 ARG CG C 26.118 0.400 1 659 78 78 ARG N N 116.175 0.400 1 660 79 79 SER H H 9.048 0.020 1 661 79 79 SER HA H 4.651 0.020 1 662 79 79 SER HB2 H 4.036 0.020 2 663 79 79 SER HB3 H 3.732 0.020 2 664 79 79 SER CA C 58.338 0.400 1 665 79 79 SER CB C 63.658 0.400 1 666 79 79 SER N N 118.030 0.400 1 667 80 80 LEU H H 8.678 0.020 1 668 80 80 LEU HA H 4.641 0.020 1 669 80 80 LEU HB2 H 1.725 0.020 2 670 80 80 LEU HB3 H 1.645 0.020 2 671 80 80 LEU HD1 H 0.944 0.020 2 672 80 80 LEU HD2 H 0.955 0.020 2 673 80 80 LEU HG H 1.584 0.020 1 674 80 80 LEU CA C 53.718 0.400 1 675 80 80 LEU CB C 39.800 0.400 1 676 80 80 LEU CD1 C 25.403 0.400 1 677 80 80 LEU CD2 C 22.845 0.400 1 678 80 80 LEU CG C 26.770 0.400 1 679 80 80 LEU N N 123.071 0.400 1 680 81 81 PRO HA H 4.341 0.020 1 681 81 81 PRO HB2 H 2.365 0.020 2 682 81 81 PRO HB3 H 1.843 0.020 2 683 81 81 PRO HD2 H 3.948 0.020 2 684 81 81 PRO HD3 H 3.767 0.020 2 685 81 81 PRO HG2 H 2.177 0.020 2 686 81 81 PRO HG3 H 2.042 0.020 2 687 81 81 PRO CA C 64.529 0.400 1 688 81 81 PRO CB C 31.544 0.400 1 689 81 81 PRO CD C 50.355 0.400 1 690 81 81 PRO CG C 27.606 0.400 1 691 82 82 GLY H H 8.911 0.020 1 692 82 82 GLY HA2 H 4.339 0.020 2 693 82 82 GLY HA3 H 3.646 0.020 2 694 82 82 GLY CA C 44.464 0.400 1 695 82 82 GLY N N 112.023 0.400 1 696 83 83 ALA H H 7.393 0.020 1 697 83 83 ALA HA H 4.476 0.020 1 698 83 83 ALA HB H 1.431 0.020 1 699 83 83 ALA CA C 52.421 0.400 1 700 83 83 ALA CB C 20.421 0.400 1 701 83 83 ALA N N 122.556 0.400 1 702 84 84 ARG H H 9.189 0.020 1 703 84 84 ARG HA H 4.043 0.020 1 704 84 84 ARG HB2 H 1.985 0.020 2 705 84 84 ARG HB3 H 1.767 0.020 2 706 84 84 ARG HD2 H 3.439 0.020 2 707 84 84 ARG HD3 H 3.434 0.020 2 708 84 84 ARG HG2 H 1.582 0.020 2 709 84 84 ARG HG3 H 1.580 0.020 2 710 84 84 ARG CA C 58.129 0.400 1 711 84 84 ARG CB C 30.886 0.400 1 712 84 84 ARG CD C 43.100 0.400 1 713 84 84 ARG CG C 27.310 0.400 1 714 84 84 ARG N N 121.487 0.400 1 715 86 86 GLU HA H 3.959 0.020 1 716 86 86 GLU HB2 H 2.110 0.020 2 717 86 86 GLU HB3 H 1.927 0.020 2 718 86 86 GLU HG2 H 2.255 0.020 2 719 86 86 GLU HG3 H 2.254 0.020 2 720 86 86 GLU CA C 56.399 0.400 1 721 86 86 GLU CB C 28.967 0.400 1 722 86 86 GLU CG C 35.433 0.400 1 723 87 87 ASN H H 8.987 0.020 1 724 87 87 ASN HA H 5.455 0.020 1 725 87 87 ASN HB2 H 2.699 0.020 2 726 87 87 ASN HB3 H 2.510 0.020 2 727 87 87 ASN CA C 53.459 0.400 1 728 87 87 ASN CB C 43.354 0.400 1 729 87 87 ASN N N 120.046 0.400 1 730 88 88 SER H H 9.326 0.020 1 731 88 88 SER HA H 4.685 0.020 1 732 88 88 SER HB2 H 3.868 0.020 2 733 88 88 SER HB3 H 3.853 0.020 2 734 88 88 SER CA C 57.264 0.400 1 735 88 88 SER CB C 66.259 0.400 1 736 88 88 SER N N 114.038 0.400 1 737 89 89 GLY H H 7.746 0.020 1 738 89 89 GLY HA2 H 3.930 0.020 2 739 89 89 GLY HA3 H 3.950 0.020 2 740 89 89 GLY CA C 45.194 0.400 1 741 89 89 GLY N N 108.734 0.400 1 742 90 90 GLU HA H 4.783 0.020 1 743 90 90 GLU HB2 H 1.799 0.020 2 744 90 90 GLU HB3 H 1.787 0.020 2 745 90 90 GLU HG2 H 1.941 0.020 2 746 90 90 GLU HG3 H 1.938 0.020 2 747 90 90 GLU CA C 54.843 0.400 1 748 90 90 GLU CB C 33.669 0.400 1 749 90 90 GLU CG C 36.335 0.400 1 750 91 91 VAL H H 9.261 0.020 1 751 91 91 VAL HA H 4.800 0.020 1 752 91 91 VAL HB H 1.403 0.020 1 753 91 91 VAL HG1 H 0.090 0.020 2 754 91 91 VAL HG2 H -0.054 0.020 2 755 91 91 VAL CA C 59.599 0.400 1 756 91 91 VAL CB C 33.653 0.400 1 757 91 91 VAL CG1 C 20.616 0.400 1 758 91 91 VAL CG2 C 20.616 0.400 1 759 91 91 VAL N N 125.403 0.400 1 760 92 92 LEU H H 8.737 0.020 1 761 92 92 LEU HA H 4.939 0.020 1 762 92 92 LEU HB2 H 1.406 0.020 2 763 92 92 LEU HB3 H 1.399 0.020 2 764 92 92 LEU HD1 H 0.802 0.020 2 765 92 92 LEU HD2 H 0.732 0.020 2 766 92 92 LEU HG H 1.452 0.020 1 767 92 92 LEU CA C 52.248 0.400 1 768 92 92 LEU CB C 45.243 0.400 1 769 92 92 LEU CD1 C 23.617 0.400 1 770 92 92 LEU CD2 C 24.750 0.400 1 771 92 92 LEU CG C 26.770 0.400 1 772 92 92 LEU N N 125.079 0.400 1 773 93 93 PHE H H 8.005 0.020 1 774 93 93 PHE HA H 5.131 0.020 1 775 93 93 PHE HB2 H 3.076 0.020 2 776 93 93 PHE HB3 H 2.639 0.020 2 777 93 93 PHE HD1 H 6.945 0.020 1 778 93 93 PHE HD2 H 6.945 0.020 1 779 93 93 PHE CA C 55.708 0.400 1 780 93 93 PHE CB C 40.313 0.400 1 781 93 93 PHE CD1 C 132.170 0.400 1 782 93 93 PHE N N 117.732 0.400 1 783 94 94 ARG H H 9.122 0.020 1 784 94 94 ARG HA H 5.180 0.020 1 785 94 94 ARG HB2 H 1.923 0.020 2 786 94 94 ARG HB3 H 1.917 0.020 2 787 94 94 ARG HD2 H 3.088 0.020 2 788 94 94 ARG HD3 H 3.101 0.020 2 789 94 94 ARG HG2 H 1.644 0.020 2 790 94 94 ARG HG3 H 1.552 0.020 2 791 94 94 ARG CA C 53.014 0.400 1 792 94 94 ARG CB C 31.491 0.400 1 793 94 94 ARG CD C 43.813 0.400 1 794 94 94 ARG CG C 25.953 0.400 1 795 94 94 ARG N N 122.292 0.400 1 796 95 95 PRO HA H 4.691 0.020 1 797 95 95 PRO HB2 H 2.419 0.020 2 798 95 95 PRO HB3 H 1.926 0.020 2 799 95 95 PRO HD2 H 3.949 0.020 2 800 95 95 PRO HD3 H 3.721 0.020 2 801 95 95 PRO HG2 H 2.201 0.020 2 802 95 95 PRO HG3 H 2.092 0.020 2 803 95 95 PRO CA C 63.578 0.400 1 804 95 95 PRO CB C 31.664 0.400 1 805 95 95 PRO CD C 50.357 0.400 1 806 95 95 PRO CG C 27.632 0.400 1 807 96 96 ALA H H 8.414 0.020 1 808 96 96 ALA HA H 4.578 0.020 1 809 96 96 ALA HB H 1.141 0.020 1 810 96 96 ALA CA C 49.826 0.400 1 811 96 96 ALA CB C 18.518 0.400 1 812 96 96 ALA N N 127.369 0.400 1 813 97 97 PRO HA H 4.409 0.020 1 814 97 97 PRO HB2 H 2.304 0.020 2 815 97 97 PRO HB3 H 1.875 0.020 2 816 97 97 PRO HD2 H 3.791 0.020 2 817 97 97 PRO HD3 H 3.591 0.020 2 818 97 97 PRO HG2 H 2.053 0.020 2 819 97 97 PRO HG3 H 2.012 0.020 2 820 97 97 PRO CA C 63.491 0.400 1 821 97 97 PRO CB C 31.491 0.400 1 822 97 97 PRO CD C 50.355 0.400 1 823 97 97 PRO CG C 27.606 0.400 1 824 98 98 GLY H H 8.747 0.020 1 825 98 98 GLY HA2 H 3.878 0.020 2 826 98 98 GLY HA3 H 3.827 0.020 2 827 98 98 GLY CA C 46.194 0.400 1 828 98 98 GLY N N 110.703 0.400 1 829 99 99 ALA H H 8.250 0.020 1 830 99 99 ALA HA H 4.384 0.020 1 831 99 99 ALA HB H 1.380 0.020 1 832 99 99 ALA CA C 52.075 0.400 1 833 99 99 ALA CB C 18.345 0.400 1 834 99 99 ALA N N 120.934 0.400 1 835 100 100 ARG H H 7.482 0.020 1 836 100 100 ARG HA H 4.270 0.020 1 837 100 100 ARG HB2 H 1.860 0.020 2 838 100 100 ARG HB3 H 1.647 0.020 2 839 100 100 ARG HD2 H 3.187 0.020 2 840 100 100 ARG HD3 H 3.182 0.020 2 841 100 100 ARG HG2 H 1.570 0.020 2 842 100 100 ARG HG3 H 1.570 0.020 2 843 100 100 ARG CA C 56.226 0.400 1 844 100 100 ARG CB C 30.000 0.400 1 845 100 100 ARG CD C 43.100 0.400 1 846 100 100 ARG CG C 27.310 0.400 1 847 100 100 ARG N N 117.048 0.400 1 848 101 101 GLY H H 7.927 0.020 1 849 101 101 GLY HA2 H 4.400 0.020 2 850 101 101 GLY HA3 H 3.865 0.020 2 851 101 101 GLY CA C 44.724 0.400 1 852 101 101 GLY N N 106.784 0.400 1 853 102 102 THR H H 9.221 0.020 1 854 102 102 THR HA H 4.754 0.020 1 855 102 102 THR HB H 4.010 0.020 1 856 102 102 THR HG2 H 1.294 0.020 1 857 102 102 THR CA C 62.021 0.400 1 858 102 102 THR CB C 71.362 0.400 1 859 102 102 THR CG2 C 22.570 0.400 1 860 102 102 THR N N 120.469 0.400 1 861 103 103 GLU H H 9.856 0.020 1 862 103 103 GLU HA H 4.876 0.020 1 863 103 103 GLU HB2 H 2.032 0.020 2 864 103 103 GLU HB3 H 1.699 0.020 2 865 103 103 GLU HG2 H 2.034 0.020 2 866 103 103 GLU HG3 H 1.950 0.020 2 867 103 103 GLU CA C 55.275 0.400 1 868 103 103 GLU CB C 30.713 0.400 1 869 103 103 GLU CG C 36.010 0.400 1 870 103 103 GLU N N 129.111 0.400 1 871 104 104 VAL H H 9.321 0.020 1 872 104 104 VAL HA H 4.635 0.020 1 873 104 104 VAL HB H 2.129 0.020 1 874 104 104 VAL HG1 H 1.164 0.020 2 875 104 104 VAL HG2 H 0.420 0.020 2 876 104 104 VAL CA C 60.810 0.400 1 877 104 104 VAL CB C 32.443 0.400 1 878 104 104 VAL CG1 C 22.658 0.400 1 879 104 104 VAL CG2 C 20.340 0.400 1 880 104 104 VAL N N 129.427 0.400 1 881 105 105 VAL H H 8.521 0.020 1 882 105 105 VAL HA H 4.516 0.020 1 883 105 105 VAL HB H 1.773 0.020 1 884 105 105 VAL HG1 H 0.714 0.020 2 885 105 105 VAL HG2 H 0.710 0.020 2 886 105 105 VAL CA C 60.551 0.400 1 887 105 105 VAL CB C 33.913 0.400 1 888 105 105 VAL CG1 C 21.380 0.400 1 889 105 105 VAL CG2 C 21.342 0.400 1 890 105 105 VAL N N 126.061 0.400 1 891 106 106 VAL H H 8.786 0.020 1 892 106 106 VAL HA H 4.637 0.020 1 893 106 106 VAL HB H 1.859 0.020 1 894 106 106 VAL HG1 H 0.885 0.020 2 895 106 106 VAL HG2 H 0.662 0.020 2 896 106 106 VAL CA C 60.897 0.400 1 897 106 106 VAL CB C 33.999 0.400 1 898 106 106 VAL CG1 C 23.207 0.400 1 899 106 106 VAL CG2 C 22.570 0.400 1 900 106 106 VAL N N 126.294 0.400 1 901 107 107 ARG H H 8.681 0.020 1 902 107 107 ARG HA H 5.208 0.020 1 903 107 107 ARG HB2 H 1.734 0.020 2 904 107 107 ARG HB3 H 1.727 0.020 2 905 107 107 ARG HD2 H 3.095 0.020 2 906 107 107 ARG HD3 H 3.091 0.020 2 907 107 107 ARG HG2 H 1.389 0.020 2 908 107 107 ARG HG3 H 1.387 0.020 2 909 107 107 ARG CA C 54.324 0.400 1 910 107 107 ARG CB C 32.875 0.400 1 911 107 107 ARG CD C 43.100 0.400 1 912 107 107 ARG CG C 27.133 0.400 1 913 107 107 ARG N N 126.718 0.400 1 914 108 108 LEU H H 9.515 0.020 1 915 108 108 LEU HA H 5.230 0.020 1 916 108 108 LEU HB2 H 1.894 0.020 2 917 108 108 LEU HB3 H 1.606 0.020 2 918 108 108 LEU HD1 H 0.957 0.020 2 919 108 108 LEU HD2 H 0.908 0.020 2 920 108 108 LEU HG H 1.540 0.020 1 921 108 108 LEU CA C 53.199 0.400 1 922 108 108 LEU CB C 44.983 0.400 1 923 108 108 LEU CD1 C 23.053 0.400 1 924 108 108 LEU CD2 C 23.010 0.400 1 925 108 108 LEU CG C 26.770 0.400 1 926 108 108 LEU N N 126.868 0.400 1 927 109 109 THR H H 8.871 0.020 1 928 109 109 THR HA H 5.549 0.020 1 929 109 109 THR HB H 3.841 0.020 1 930 109 109 THR HG2 H 0.953 0.020 1 931 109 109 THR CA C 60.118 0.400 1 932 109 109 THR CB C 70.670 0.400 1 933 109 109 THR CG2 C 20.912 0.400 1 934 109 109 THR N N 116.088 0.400 1 935 110 110 TYR H H 8.753 0.020 1 936 110 110 TYR HA H 5.373 0.020 1 937 110 110 TYR HB2 H 2.941 0.020 2 938 110 110 TYR HB3 H 2.647 0.020 2 939 110 110 TYR HD1 H 6.534 0.020 1 940 110 110 TYR HD2 H 6.534 0.020 1 941 110 110 TYR HE1 H 6.498 0.020 1 942 110 110 TYR HE2 H 6.498 0.020 1 943 110 110 TYR CA C 56.140 0.400 1 944 110 110 TYR CB C 40.745 0.400 1 945 110 110 TYR CD1 C 132.540 0.400 1 946 110 110 TYR CE1 C 117.266 0.400 1 947 110 110 TYR N N 118.245 0.400 1 948 111 111 ARG H H 7.953 0.020 1 949 111 111 ARG HA H 4.963 0.020 1 950 111 111 ARG HB2 H 1.845 0.020 2 951 111 111 ARG HB3 H 1.613 0.020 2 952 111 111 ARG HD2 H 3.100 0.020 2 953 111 111 ARG HD3 H 3.105 0.020 2 954 111 111 ARG HG2 H 1.500 0.020 2 955 111 111 ARG HG3 H 1.495 0.020 2 956 111 111 ARG CA C 52.075 0.400 1 957 111 111 ARG CB C 32.010 0.400 1 958 111 111 ARG CD C 43.100 0.400 1 959 111 111 ARG CG C 27.163 0.400 1 960 111 111 ARG N N 120.511 0.400 1 961 113 113 PRO HA H 4.545 0.020 1 962 113 113 PRO HB2 H 2.376 0.020 2 963 113 113 PRO HB3 H 1.575 0.020 2 964 113 113 PRO HD2 H 3.640 0.020 2 965 113 113 PRO HD3 H 3.467 0.020 2 966 113 113 PRO HG2 H 2.022 0.020 2 967 113 113 PRO HG3 H 1.702 0.020 2 968 113 113 PRO CA C 64.529 0.400 1 969 113 113 PRO CB C 31.098 0.400 1 970 113 113 PRO CD C 50.280 0.400 1 971 113 113 PRO CG C 28.640 0.400 1 972 114 114 GLY H H 7.733 0.020 1 973 114 114 GLY HA2 H 4.160 0.020 2 974 114 114 GLY HA3 H 3.909 0.020 2 975 114 114 GLY CA C 44.291 0.400 1 976 114 114 GLY N N 101.846 0.400 1 977 115 115 GLY H H 8.448 0.020 1 978 115 115 GLY HA2 H 4.142 0.020 2 979 115 115 GLY HA3 H 3.927 0.020 2 980 115 115 GLY CA C 45.416 0.400 1 981 115 115 GLY N N 107.054 0.400 1 982 116 116 SER H H 8.779 0.020 1 983 116 116 SER HA H 4.264 0.020 1 984 116 116 SER HB2 H 3.938 0.020 2 985 116 116 SER HB3 H 3.932 0.020 2 986 116 116 SER CA C 60.378 0.400 1 987 116 116 SER CB C 62.540 0.400 1 988 116 116 SER N N 118.860 0.400 1 989 117 117 ALA H H 8.515 0.020 1 990 117 117 ALA HA H 4.138 0.020 1 991 117 117 ALA HB H 1.444 0.020 1 992 117 117 ALA CA C 54.410 0.400 1 993 117 117 ALA CB C 18.605 0.400 1 994 117 117 ALA N N 123.565 0.400 1 995 118 118 GLY H H 7.631 0.020 1 996 118 118 GLY HA2 H 3.998 0.020 2 997 118 118 GLY HA3 H 3.693 0.020 2 998 118 118 GLY CA C 46.886 0.400 1 999 118 118 GLY N N 104.514 0.400 1 1000 119 119 ALA H H 7.808 0.020 1 1001 119 119 ALA HA H 4.250 0.020 1 1002 119 119 ALA HB H 1.503 0.020 1 1003 119 119 ALA CA C 54.237 0.400 1 1004 119 119 ALA CB C 18.345 0.400 1 1005 119 119 ALA N N 123.654 0.400 1 1006 120 120 VAL H H 7.704 0.020 1 1007 120 120 VAL HA H 3.722 0.020 1 1008 120 120 VAL HB H 2.196 0.020 1 1009 120 120 VAL HG1 H 1.070 0.020 2 1010 120 120 VAL HG2 H 0.963 0.020 2 1011 120 120 VAL CA C 65.394 0.400 1 1012 120 120 VAL CB C 31.578 0.400 1 1013 120 120 VAL CG1 C 22.174 0.400 1 1014 120 120 VAL CG2 C 22.042 0.400 1 1015 120 120 VAL N N 117.229 0.400 1 1016 121 121 ILE HA H 4.200 0.020 1 1017 121 121 ILE HB H 1.800 0.020 1 1018 121 121 ILE CA C 63.578 0.400 1 1019 121 121 ILE CB C 37.402 0.400 1 1020 122 122 ALA H H 7.890 0.020 1 1021 122 122 ALA HA H 4.162 0.020 1 1022 122 122 ALA HB H 1.515 0.020 1 1023 122 122 ALA CA C 54.843 0.400 1 1024 122 122 ALA CB C 18.345 0.400 1 1025 122 122 ALA N N 120.452 0.400 1 1026 123 123 ARG H H 7.660 0.020 1 1027 123 123 ARG HA H 4.265 0.020 1 1028 123 123 ARG HB2 H 1.954 0.020 2 1029 123 123 ARG HB3 H 1.952 0.020 2 1030 123 123 ARG HD2 H 3.208 0.020 2 1031 123 123 ARG HD3 H 3.206 0.020 2 1032 123 123 ARG HG2 H 1.694 0.020 2 1033 123 123 ARG HG3 H 1.698 0.020 2 1034 123 123 ARG CA C 57.417 0.400 1 1035 123 123 ARG CB C 30.210 0.400 1 1036 123 123 ARG CD C 43.100 0.400 1 1037 123 123 ARG CG C 27.321 0.400 1 1038 123 123 ARG N N 115.622 0.400 1 1039 134 134 ARG HA H 4.270 0.020 1 1040 134 134 ARG HB2 H 1.790 0.020 2 1041 134 134 ARG HB3 H 1.780 0.020 2 1042 134 134 ARG CA C 57.524 0.400 1 1043 135 135 ASP H H 7.812 0.020 1 1044 135 135 ASP HA H 4.023 0.020 1 1045 135 135 ASP HB2 H 2.045 0.020 2 1046 135 135 ASP HB3 H 2.034 0.020 2 1047 135 135 ASP CA C 59.772 0.400 1 1048 135 135 ASP CB C 42.302 0.400 1 1049 135 135 ASP N N 119.323 0.400 1 1050 136 136 ASP H H 8.399 0.020 1 1051 136 136 ASP HA H 4.422 0.020 1 1052 136 136 ASP HB2 H 2.764 0.020 2 1053 136 136 ASP HB3 H 2.757 0.020 2 1054 136 136 ASP CA C 57.351 0.400 1 1055 136 136 ASP CB C 39.448 0.400 1 1056 136 136 ASP N N 119.422 0.400 1 1057 137 137 LEU H H 9.158 0.020 1 1058 137 137 LEU HA H 4.440 0.020 1 1059 137 137 LEU HB2 H 2.116 0.020 2 1060 137 137 LEU HB3 H 1.580 0.020 2 1061 137 137 LEU HD1 H 0.984 0.020 2 1062 137 137 LEU HD2 H 0.876 0.020 2 1063 137 137 LEU HG H 1.546 0.020 1 1064 137 137 LEU CA C 58.129 0.400 1 1065 137 137 LEU CB C 40.832 0.400 1 1066 137 137 LEU CD1 C 21.443 0.400 1 1067 137 137 LEU CD2 C 25.290 0.400 1 1068 137 137 LEU CG C 26.770 0.400 1 1069 137 137 LEU N N 123.358 0.400 1 1070 138 138 MET H H 8.814 0.020 1 1071 138 138 MET HA H 4.516 0.020 1 1072 138 138 MET HB2 H 2.177 0.020 2 1073 138 138 MET HB3 H 2.170 0.020 2 1074 138 138 MET HE H 2.170 0.020 1 1075 138 138 MET HG2 H 2.411 0.020 2 1076 138 138 MET HG3 H 2.385 0.020 2 1077 138 138 MET CA C 57.610 0.400 1 1078 138 138 MET CB C 30.972 0.400 1 1079 138 138 MET CE C 16.659 0.400 1 1080 138 138 MET CG C 31.167 0.400 1 1081 138 138 MET N N 118.998 0.400 1 1082 139 139 ARG H H 8.277 0.020 1 1083 139 139 ARG HA H 4.121 0.020 1 1084 139 139 ARG HB2 H 2.161 0.020 2 1085 139 139 ARG HB3 H 2.042 0.020 2 1086 139 139 ARG HD2 H 3.255 0.020 2 1087 139 139 ARG HD3 H 3.255 0.020 2 1088 139 139 ARG HG2 H 1.684 0.020 2 1089 139 139 ARG HG3 H 1.684 0.020 2 1090 139 139 ARG CA C 59.533 0.400 1 1091 139 139 ARG CB C 30.000 0.400 1 1092 139 139 ARG CD C 43.348 0.400 1 1093 139 139 ARG CG C 27.602 0.400 1 1094 139 139 ARG N N 122.510 0.400 1 1095 140 140 PHE H H 8.114 0.020 1 1096 140 140 PHE HA H 4.663 0.020 1 1097 140 140 PHE HB2 H 3.538 0.020 2 1098 140 140 PHE HB3 H 3.503 0.020 2 1099 140 140 PHE HD1 H 7.497 0.020 1 1100 140 140 PHE HD2 H 7.497 0.020 1 1101 140 140 PHE HE1 H 7.374 0.020 1 1102 140 140 PHE HE2 H 7.374 0.020 1 1103 140 140 PHE HZ H 7.285 0.020 1 1104 140 140 PHE CA C 59.859 0.400 1 1105 140 140 PHE CB C 38.843 0.400 1 1106 140 140 PHE CD1 C 132.911 0.400 1 1107 140 140 PHE CE1 C 130.480 0.400 1 1108 140 140 PHE CZ C 129.110 0.400 1 1109 140 140 PHE N N 120.507 0.400 1 1110 141 141 LYS H H 8.528 0.020 1 1111 141 141 LYS HA H 3.526 0.020 1 1112 141 141 LYS HB2 H 2.277 0.020 2 1113 141 141 LYS HB3 H 1.712 0.020 2 1114 141 141 LYS HD2 H 1.827 0.020 2 1115 141 141 LYS HD3 H 1.780 0.020 2 1116 141 141 LYS HE2 H 3.080 0.020 2 1117 141 141 LYS HE3 H 3.079 0.020 2 1118 141 141 LYS HG2 H 1.435 0.020 2 1119 141 141 LYS HG3 H 1.182 0.020 2 1120 141 141 LYS CA C 60.000 0.400 1 1121 141 141 LYS CB C 33.048 0.400 1 1122 141 141 LYS CD C 28.780 0.400 1 1123 141 141 LYS CE C 41.780 0.400 1 1124 141 141 LYS CG C 24.894 0.400 1 1125 141 141 LYS N N 119.546 0.400 1 1126 142 142 ARG H H 8.079 0.020 1 1127 142 142 ARG HA H 4.122 0.020 1 1128 142 142 ARG HB2 H 2.014 0.020 2 1129 142 142 ARG HB3 H 1.947 0.020 2 1130 142 142 ARG HD2 H 3.256 0.020 2 1131 142 142 ARG HD3 H 3.252 0.020 2 1132 142 142 ARG HG2 H 1.834 0.020 2 1133 142 142 ARG HG3 H 1.644 0.020 2 1134 142 142 ARG CA C 59.261 0.400 1 1135 142 142 ARG CB C 30.137 0.400 1 1136 142 142 ARG CD C 43.317 0.400 1 1137 142 142 ARG CG C 27.584 0.400 1 1138 142 142 ARG N N 117.223 0.400 1 1139 143 143 GLU H H 8.556 0.020 1 1140 143 143 GLU HA H 3.937 0.020 1 1141 143 143 GLU HB2 H 2.266 0.020 2 1142 143 143 GLU HB3 H 2.090 0.020 2 1143 143 143 GLU HG2 H 2.618 0.020 2 1144 143 143 GLU HG3 H 2.369 0.020 2 1145 143 143 GLU CA C 59.257 0.400 1 1146 143 143 GLU CB C 28.661 0.400 1 1147 143 143 GLU CG C 35.105 0.400 1 1148 143 143 GLU N N 117.594 0.400 1 1149 144 144 GLN H H 8.226 0.020 1 1150 144 144 GLN HA H 3.783 0.020 1 1151 144 144 GLN HB2 H 1.826 0.020 2 1152 144 144 GLN HB3 H 1.699 0.020 2 1153 144 144 GLN HE21 H 7.390 0.020 2 1154 144 144 GLN HE22 H 6.935 0.020 2 1155 144 144 GLN HG2 H 1.952 0.020 2 1156 144 144 GLN HG3 H 1.948 0.020 2 1157 144 144 GLN CA C 57.264 0.400 1 1158 144 144 GLN CB C 28.805 0.400 1 1159 144 144 GLN CG C 34.558 0.400 1 1160 144 144 GLN N N 116.169 0.400 1 1161 144 144 GLN NE2 N 114.620 0.400 1 1162 145 145 GLU H H 8.209 0.020 1 1163 145 145 GLU HA H 4.056 0.020 1 1164 145 145 GLU HB2 H 2.047 0.020 2 1165 145 145 GLU HB3 H 2.041 0.020 2 1166 145 145 GLU HG2 H 2.689 0.020 2 1167 145 145 GLU HG3 H 2.139 0.020 2 1168 145 145 GLU CA C 58.216 0.400 1 1169 145 145 GLU CB C 29.156 0.400 1 1170 145 145 GLU CG C 37.935 0.400 1 1171 145 145 GLU N N 116.426 0.400 1 1172 146 146 LEU H H 7.869 0.020 1 1173 146 146 LEU HA H 4.318 0.020 1 1174 146 146 LEU HB2 H 1.828 0.020 2 1175 146 146 LEU HB3 H 1.572 0.020 2 1176 146 146 LEU HD1 H 0.878 0.020 2 1177 146 146 LEU HD2 H 0.878 0.020 2 1178 146 146 LEU HG H 1.540 0.020 1 1179 146 146 LEU CA C 56.053 0.400 1 1180 146 146 LEU CB C 42.306 0.400 1 1181 146 146 LEU CD1 C 23.225 0.400 1 1182 146 146 LEU CD2 C 23.213 0.400 1 1183 146 146 LEU CG C 26.770 0.400 1 1184 146 146 LEU N N 119.872 0.400 1 1185 147 147 GLY H H 7.853 0.020 1 1186 147 147 GLY HA2 H 3.943 0.020 2 1187 147 147 GLY HA3 H 3.918 0.020 2 1188 147 147 GLY CA C 45.848 0.400 1 1189 147 147 GLY N N 107.656 0.400 1 1190 148 148 LEU H H 7.889 0.020 1 1191 148 148 LEU HA H 4.237 0.020 1 1192 148 148 LEU HB2 H 1.608 0.020 2 1193 148 148 LEU HB3 H 1.515 0.020 2 1194 148 148 LEU HD1 H 0.907 0.020 2 1195 148 148 LEU HD2 H 0.826 0.020 2 1196 148 148 LEU HG H 1.561 0.020 1 1197 148 148 LEU CA C 55.016 0.400 1 1198 148 148 LEU CB C 42.129 0.400 1 1199 148 148 LEU CD1 C 24.828 0.400 1 1200 148 148 LEU CD2 C 22.850 0.400 1 1201 148 148 LEU CG C 26.770 0.400 1 1202 148 148 LEU N N 119.967 0.400 1 1203 149 149 GLU H H 8.326 0.020 1 1204 149 149 GLU HA H 4.176 0.020 1 1205 149 149 GLU HB2 H 1.900 0.020 2 1206 149 149 GLU HB3 H 1.884 0.020 2 1207 149 149 GLU HG2 H 2.249 0.020 2 1208 149 149 GLU HG3 H 2.167 0.020 2 1209 149 149 GLU CA C 56.150 0.400 1 1210 149 149 GLU CB C 29.746 0.400 1 1211 149 149 GLU CG C 35.036 0.400 1 1212 149 149 GLU N N 120.319 0.400 1 1213 150 150 HIS H H 8.479 0.020 1 1214 150 150 HIS HA H 4.620 0.020 1 1215 150 150 HIS HB2 H 3.181 0.020 2 1216 150 150 HIS HB3 H 3.070 0.020 2 1217 150 150 HIS HD2 H 7.080 0.020 1 1218 150 150 HIS HE1 H 8.080 0.020 1 1219 150 150 HIS CA C 55.003 0.400 1 1220 150 150 HIS CB C 28.666 0.400 1 1221 150 150 HIS CD2 C 119.840 0.400 1 1222 150 150 HIS CE1 C 136.050 0.400 1 1223 150 150 HIS N N 119.009 0.400 1 1224 151 151 HIS H H 8.508 0.020 1 1225 151 151 HIS HA H 4.655 0.020 1 1226 151 151 HIS HB2 H 3.190 0.020 2 1227 151 151 HIS HB3 H 3.110 0.020 2 1228 151 151 HIS HD2 H 7.080 0.020 1 1229 151 151 HIS HE1 H 8.080 0.020 1 1230 151 151 HIS CA C 55.177 0.400 1 1231 151 151 HIS CB C 28.960 0.400 1 1232 151 151 HIS CD2 C 119.840 0.400 1 1233 151 151 HIS CE1 C 136.050 0.400 1 1234 151 151 HIS N N 118.712 0.400 1 1235 152 152 HIS H H 8.663 0.020 1 1236 152 152 HIS HA H 4.633 0.020 1 1237 152 152 HIS HB2 H 3.187 0.020 2 1238 152 152 HIS HB3 H 3.110 0.020 2 1239 152 152 HIS HD2 H 7.080 0.020 1 1240 152 152 HIS HE1 H 8.080 0.020 1 1241 152 152 HIS CA C 55.143 0.400 1 1242 152 152 HIS CB C 29.027 0.400 1 1243 152 152 HIS CD2 C 119.840 0.400 1 1244 152 152 HIS CE1 C 136.050 0.400 1 1245 152 152 HIS N N 120.118 0.400 1 1246 153 153 HIS H H 8.613 0.020 1 1247 153 153 HIS HA H 4.645 0.020 1 1248 153 153 HIS HB2 H 3.206 0.020 2 1249 153 153 HIS HB3 H 3.120 0.020 2 1250 153 153 HIS HD2 H 7.080 0.020 1 1251 153 153 HIS HE1 H 8.080 0.020 1 1252 153 153 HIS CA C 55.186 0.400 1 1253 153 153 HIS CB C 28.950 0.400 1 1254 153 153 HIS CD2 C 119.840 0.400 1 1255 153 153 HIS CE1 C 136.050 0.400 1 1256 153 153 HIS N N 119.388 0.400 1 1257 154 154 HIS H H 8.559 0.020 1 1258 154 154 HIS HA H 4.631 0.020 1 1259 154 154 HIS HB2 H 3.210 0.020 2 1260 154 154 HIS HB3 H 3.113 0.020 2 1261 154 154 HIS HD2 H 7.080 0.020 1 1262 154 154 HIS HE1 H 8.080 0.020 1 1263 154 154 HIS CA C 55.259 0.400 1 1264 154 154 HIS CB C 29.284 0.400 1 1265 154 154 HIS CD2 C 119.840 0.400 1 1266 154 154 HIS CE1 C 136.050 0.400 1 1267 154 154 HIS N N 120.543 0.400 1 1268 155 155 HIS H H 8.390 0.020 1 1269 155 155 HIS HA H 4.642 0.020 1 1270 155 155 HIS HB2 H 3.203 0.020 2 1271 155 155 HIS HB3 H 3.124 0.020 2 1272 155 155 HIS HD2 H 7.080 0.020 1 1273 155 155 HIS HE1 H 8.080 0.020 1 1274 155 155 HIS CA C 57.005 0.400 1 1275 155 155 HIS CB C 29.368 0.400 1 1276 155 155 HIS CD2 C 119.840 0.400 1 1277 155 155 HIS CE1 C 136.050 0.400 1 1278 155 155 HIS N N 125.573 0.400 1 stop_ save_