data_6513 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR Structure of the nonstructural Protein 7 (nsP7) from the SARS Corona Virus ; _BMRB_accession_number 6513 _BMRB_flat_file_name bmr6513.str _Entry_type original _Submission_date 2005-02-18 _Accession_date 2005-02-18 _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 Peti Wolfgang . . 2 Herrmann Torsten . . 3 Johnson Maggie . . 4 Wuthrich Kurt . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 386 "13C chemical shifts" 323 "15N chemical shifts" 75 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2007-03-19 original author . stop_ _Original_release_date 2007-03-19 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Structural genomics of the SARS coronavirus: NMR structure of the protein nsp7' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 16188992 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Peti Wolfgang . . 2 Johnson Maggie . . 3 Herrmann Torsten . . 4 Neuman B. W. . 5 Buchmeier M. J. . 6 Nelson M. . . 7 Joseph J. . . 8 Page R. . . 9 Stevens R. C. . 10 Kuhn P. . . 11 Wuthrich Kurt . . stop_ _Journal_abbreviation 'J. Virol.' _Journal_volume 79 _Journal_issue 20 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 12905 _Page_last 12913 _Year 2005 _Details . save_ ################################## # Molecular system description # ################################## save_system_nsp7 _Saveframe_category molecular_system _Mol_system_name 'non structural protein 7' _Abbreviation_common nsp7 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'nsp7, monomer' $nsp7 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'all free' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_nsp7 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'non structural protein 7' _Abbreviation_common nsp7 _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 85 _Mol_residue_sequence ; GHSKMSDVKCTSVVLLSVLQ QLRVESSSKLWAQCVQLHND ILLAKDTTEAFEKMVSLLSV LLSMQGAVDINRLCEEMLDN RATLQ ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 HIS 3 SER 4 LYS 5 MET 6 SER 7 ASP 8 VAL 9 LYS 10 CYS 11 THR 12 SER 13 VAL 14 VAL 15 LEU 16 LEU 17 SER 18 VAL 19 LEU 20 GLN 21 GLN 22 LEU 23 ARG 24 VAL 25 GLU 26 SER 27 SER 28 SER 29 LYS 30 LEU 31 TRP 32 ALA 33 GLN 34 CYS 35 VAL 36 GLN 37 LEU 38 HIS 39 ASN 40 ASP 41 ILE 42 LEU 43 LEU 44 ALA 45 LYS 46 ASP 47 THR 48 THR 49 GLU 50 ALA 51 PHE 52 GLU 53 LYS 54 MET 55 VAL 56 SER 57 LEU 58 LEU 59 SER 60 VAL 61 LEU 62 LEU 63 SER 64 MET 65 GLN 66 GLY 67 ALA 68 VAL 69 ASP 70 ILE 71 ASN 72 ARG 73 LEU 74 CYS 75 GLU 76 GLU 77 MET 78 LEU 79 ASP 80 ASN 81 ARG 82 ALA 83 THR 84 LEU 85 GLN stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-28 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 BMRB 16981 nsp7 100.00 85 100.00 100.00 6.85e-52 PDB 1YSY "Nmr Structure Of The Nonstructural Protein 7 (Nsp7) From The Sars Coronavirus" 100.00 85 100.00 100.00 6.85e-52 PDB 2AHM "Crystal Structure Of Sars-Cov Super Complex Of Non-Structural Proteins: The Hexadecamer" 100.00 88 98.82 98.82 1.37e-50 PDB 2KYS "Nmr Structure Of The Sars Coronavirus Nonstructural Protein Nsp7 In Solution At Ph 6.5" 100.00 85 100.00 100.00 6.85e-52 DBJ BAC81346 "polyprotein 1ab [SARS coronavirus TWH]" 98.82 7073 98.81 98.81 2.95e-45 DBJ BAC81347 "polyprotein 1a [SARS coronavirus TWH]" 98.82 4382 98.81 98.81 1.27e-44 DBJ BAC81360 "polyprotein 1ab [SARS coronavirus TWJ]" 98.82 7073 98.81 98.81 2.95e-45 DBJ BAC81361 "polyprotein 1a [SARS coronavirus TWJ]" 98.82 4382 98.81 98.81 1.27e-44 DBJ BAC81374 "polyprotein 1ab [SARS coronavirus TWK]" 98.82 7073 98.81 98.81 2.95e-45 GB AAP13439 "nonstructural polyprotein pp1a [SARS coronavirus Urbani]" 98.82 4382 98.81 98.81 1.27e-44 GB AAP13442 "nonstructural polyprotein pp1ab [SARS coronavirus Urbani]" 98.82 7073 98.81 98.81 2.95e-45 GB AAP13566 "putative orf1ab polyprotein [SARS coronavirus CUHK-W1]" 98.82 7073 98.81 98.81 2.95e-45 GB AAP13575 "orf1a polyprotein [SARS coronavirus CUHK-W1]" 98.82 4382 98.81 98.81 1.25e-44 GB AAP30028 "orf1ab [SARS coronavirus BJ01]" 98.82 7073 98.81 98.81 2.95e-45 REF NP_828849 "orf1ab polyprotein (pp1ab) [SARS coronavirus]" 98.82 7073 98.81 98.81 2.95e-45 REF NP_828850 "orf1a polyprotein (pp1a) [SARS coronavirus]" 98.82 4382 98.81 98.81 1.27e-44 REF NP_828865 "nsp7-pp1a/pp1ab [SARS coronavirus]" 97.65 83 100.00 100.00 1.27e-49 SP P0C6F5 "RecName: Full=Replicase polyprotein 1a; Short=pp1a; AltName: Full=ORF1a polyprotein; Contains: RecName: Full=Non-structural pro" 98.82 4388 97.62 98.81 3.85e-44 SP P0C6F8 "RecName: Full=Replicase polyprotein 1a; Short=pp1a; AltName: Full=ORF1a polyprotein; Contains: RecName: Full=Non-structural pro" 98.82 4376 97.62 98.81 2.88e-44 SP P0C6T7 "RecName: Full=Replicase polyprotein 1a; Short=pp1a; AltName: Full=ORF1a polyprotein; Contains: RecName: Full=Non-structural pro" 98.82 4380 97.62 98.81 3.78e-44 SP P0C6U8 "RecName: Full=Replicase polyprotein 1a; Short=pp1a; AltName: Full=ORF1a polyprotein; Contains: RecName: Full=Non-structural pro" 98.82 4382 98.81 98.81 1.27e-44 SP P0C6V9 "RecName: Full=Replicase polyprotein 1ab; Short=pp1ab; AltName: Full=ORF1ab polyprotein; Contains: RecName: Full=Host translatio" 98.82 7079 97.62 98.81 9.54e-45 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $nsp7 'corona virus' . Viruses . SARS 'corona virus' 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 $nsp7 'recombinant technology' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $nsp7 2.3 mM [U-15N] DTT 5 mM . stop_ save_ save_sample2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $nsp7 3.2 mM '[U-13C; U-15N]' DTT 5 mM . stop_ save_ save_sample3 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $nsp7 1 mM . DTT 5 mM . stop_ save_ ############################ # Computer software used # ############################ save_CARA _Saveframe_category software _Name CARA _Version 0.9 _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer BRUKER _Model AVANCE _Field_strength 600 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer BRUKER _Model AVANCE _Field_strength 900 _Details . save_ ############################# # NMR applied experiments # ############################# save_1h15nhsqc_1 _Saveframe_category NMR_applied_experiment _Experiment_name 1h15nhsqc _Sample_label . save_ save_HNCA_2 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _Sample_label . save_ save_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _Sample_label . save_ save_CBCACONH_4 _Saveframe_category NMR_applied_experiment _Experiment_name CBCACONH _Sample_label . save_ save_15N_NOESY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '15N NOESY' _Sample_label . save_ save_13C_NOESY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '13C NOESY' _Sample_label . save_ save_HCCH_TOCSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name 'HCCH TOCSY' _Sample_label . save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name 1h15nhsqc _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_3 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_4 _Saveframe_category NMR_applied_experiment _Experiment_name CBCACONH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_5 _Saveframe_category NMR_applied_experiment _Experiment_name '15N NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_6 _Saveframe_category NMR_applied_experiment _Experiment_name '13C NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_7 _Saveframe_category NMR_applied_experiment _Experiment_name 'HCCH TOCSY' _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_cond1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 7.8 0.2 pH temperature 298 0.2 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _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 H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chemical_shifts_set_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample1 $sample2 $sample3 stop_ _Sample_conditions_label $cond1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'nsp7, monomer' _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 . 4 LYS CA C 56.416 0.06 . 2 . 4 LYS HA H 4.280 0.02 . 3 . 4 LYS CB C 32.833 0.06 . 4 . 4 LYS HB2 H 1.792 0.02 . 5 . 4 LYS HB3 H 1.691 0.02 . 6 . 4 LYS CG C 24.747 0.06 . 7 . 4 LYS HG2 H 1.363 0.02 . 8 . 4 LYS CD C 29.014 0.06 . 9 . 4 LYS HD2 H 1.605 0.02 . 10 . 4 LYS CE C 42.042 0.06 . 11 . 4 LYS HE2 H 2.923 0.02 . 12 . 5 MET CA C 55.743 0.06 . 13 . 5 MET HA H 4.395 0.02 . 14 . 5 MET CB C 32.833 0.06 . 15 . 5 MET HB2 H 2.033 0.02 . 16 . 5 MET HB3 H 1.934 0.02 . 17 . 5 MET CG C 31.934 0.06 . 18 . 5 MET HG2 H 2.543 0.02 . 19 . 5 MET HG3 H 2.470 0.02 . 20 . 6 SER N N 121.424 0.03 . 21 . 6 SER H H 8.466 0.02 . 22 . 6 SER CA C 58.438 0.06 . 23 . 6 SER HA H 4.342 0.02 . 24 . 6 SER CB C 63.828 0.06 . 25 . 6 SER HB2 H 3.835 0.02 . 26 . 6 SER HB3 H 3.757 0.02 . 27 . 6 SER C C 174.086 0.06 . 28 . 7 ASP N N 122.449 0.03 . 29 . 7 ASP H H 8.227 0.02 . 30 . 7 ASP CA C 54.170 0.06 . 31 . 7 ASP HA H 4.573 0.02 . 32 . 7 ASP CB C 41.143 0.06 . 33 . 7 ASP HB2 H 2.649 0.02 . 34 . 7 ASP HB3 H 2.548 0.02 . 35 . 7 ASP C C 176.007 0.06 . 36 . 8 VAL N N 120.243 0.03 . 37 . 8 VAL H H 7.939 0.02 . 38 . 8 VAL CA C 62.481 0.06 . 39 . 8 VAL HA H 4.015 0.02 . 40 . 8 VAL CB C 32.383 0.06 . 41 . 8 VAL HB H 2.043 0.02 . 42 . 8 VAL HG1 H 0.885 0.02 . 43 . 8 VAL HG2 H 0.882 0.02 . 44 . 8 VAL CG1 C 20.704 0.06 . 45 . 8 VAL CG2 C 21.378 0.06 . 46 . 8 VAL C C 175.778 0.06 . 47 . 9 LYS N N 125.038 0.03 . 48 . 9 LYS H H 8.335 0.02 . 49 . 9 LYS CA C 55.743 0.06 . 50 . 9 LYS HA H 4.347 0.02 . 51 . 9 LYS CB C 33.057 0.06 . 52 . 9 LYS HB2 H 1.717 0.02 . 53 . 9 LYS CG C 24.747 0.06 . 54 . 9 LYS HG2 H 1.374 0.02 . 55 . 9 LYS HG3 H 1.319 0.02 . 56 . 9 LYS CD C 28.790 0.06 . 57 . 9 LYS HD2 H 1.596 0.02 . 58 . 9 LYS CE C 42.042 0.06 . 59 . 9 LYS HE2 H 2.913 0.02 . 60 . 10 CYS CA C 58.213 0.06 . 61 . 10 CYS HA H 4.508 0.02 . 62 . 10 CYS CB C 28.116 0.06 . 63 . 10 CYS HB2 H 2.829 0.02 . 64 . 10 CYS HB3 H 2.726 0.02 . 65 . 11 THR N N 118.760 0.03 . 66 . 11 THR H H 8.572 0.02 . 67 . 11 THR CA C 62.705 0.06 . 68 . 11 THR HA H 4.187 0.02 . 69 . 11 THR CB C 68.994 0.06 . 70 . 11 THR HB H 4.227 0.02 . 71 . 11 THR HG2 H 1.098 0.02 . 72 . 11 THR CG2 C 21.827 0.06 . 73 . 11 THR C C 174.287 0.06 . 74 . 12 SER N N 117.635 0.03 . 75 . 12 SER H H 7.717 0.02 . 76 . 12 SER CA C 56.416 0.06 . 77 . 12 SER HA H 4.618 0.02 . 78 . 12 SER HB2 H 3.062 0.02 . 79 . 12 SER HB3 H 2.997 0.02 . 80 . 13 VAL N N 126.864 0.03 . 81 . 13 VAL H H 8.420 0.02 . 82 . 13 VAL CA C 64.951 0.06 . 83 . 13 VAL HA H 3.211 0.02 . 84 . 13 VAL CB C 31.485 0.06 . 85 . 13 VAL HB H 2.089 0.02 . 86 . 13 VAL HG1 H 0.980 0.02 . 87 . 13 VAL HG2 H 0.934 0.02 . 88 . 13 VAL CG1 C 20.929 0.06 . 89 . 13 VAL CG2 C 21.153 0.06 . 90 . 13 VAL C C 178.396 0.06 . 91 . 14 VAL N N 122.670 0.03 . 92 . 14 VAL H H 8.046 0.02 . 93 . 14 VAL CA C 65.625 0.06 . 94 . 14 VAL HA H 3.722 0.02 . 95 . 14 VAL CB C 31.036 0.06 . 96 . 14 VAL HB H 1.829 0.02 . 97 . 14 VAL HG1 H 0.863 0.02 . 98 . 14 VAL HG2 H 0.732 0.02 . 99 . 14 VAL CG1 C 22.725 0.06 . 100 . 14 VAL CG2 C 22.052 0.06 . 101 . 14 VAL C C 177.775 0.06 . 102 . 15 LEU N N 121.870 0.03 . 103 . 15 LEU H H 7.953 0.02 . 104 . 15 LEU CA C 57.989 0.06 . 105 . 15 LEU HA H 3.665 0.02 . 106 . 15 LEU CB C 40.020 0.06 . 107 . 15 LEU HB2 H 1.447 0.02 . 108 . 15 LEU HB3 H 0.773 0.02 . 109 . 15 LEU CG C 26.319 0.06 . 110 . 15 LEU HG H 1.090 0.02 . 111 . 15 LEU HD1 H 0.518 0.02 . 112 . 15 LEU HD2 H 0.373 0.02 . 113 . 15 LEU CD1 C 22.501 0.06 . 114 . 15 LEU CD2 C 25.870 0.06 . 115 . 15 LEU C C 177.708 0.06 . 116 . 16 LEU N N 116.288 0.03 . 117 . 16 LEU H H 7.500 0.02 . 118 . 16 LEU CA C 58.213 0.06 . 119 . 16 LEU HA H 3.703 0.02 . 120 . 16 LEU CB C 40.918 0.06 . 121 . 16 LEU HB2 H 1.778 0.02 . 122 . 16 LEU HB3 H 1.580 0.02 . 123 . 16 LEU CG C 26.993 0.06 . 124 . 16 LEU HG H 1.768 0.02 . 125 . 16 LEU HD1 H 0.931 0.02 . 126 . 16 LEU HD2 H 0.853 0.02 . 127 . 16 LEU CD1 C 24.747 0.06 . 128 . 16 LEU CD2 C 23.624 0.06 . 129 . 16 LEU C C 179.571 0.06 . 130 . 17 SER N N 114.928 0.03 . 131 . 17 SER H H 7.765 0.02 . 132 . 17 SER CA C 61.807 0.06 . 133 . 17 SER HA H 4.205 0.02 . 134 . 17 SER CB C 62.256 0.06 . 135 . 17 SER HB2 H 3.996 0.02 . 136 . 17 SER C C 176.265 0.06 . 137 . 18 VAL N N 122.744 0.03 . 138 . 18 VAL H H 8.030 0.02 . 139 . 18 VAL CA C 66.524 0.06 . 140 . 18 VAL HA H 3.579 0.02 . 141 . 18 VAL CB C 31.485 0.06 . 142 . 18 VAL HB H 2.099 0.02 . 143 . 18 VAL HG1 H 0.776 0.02 . 144 . 18 VAL HG2 H 0.642 0.02 . 145 . 18 VAL CG1 C 23.848 0.06 . 146 . 18 VAL CG2 C 21.153 0.06 . 147 . 18 VAL C C 177.479 0.06 . 148 . 19 LEU N N 117.505 0.03 . 149 . 19 LEU H H 8.273 0.02 . 150 . 19 LEU CA C 58.438 0.06 . 151 . 19 LEU HA H 3.707 0.02 . 152 . 19 LEU CB C 40.694 0.06 . 153 . 19 LEU HB2 H 1.776 0.02 . 154 . 19 LEU HB3 H 1.581 0.02 . 155 . 19 LEU CG C 26.768 0.06 . 156 . 19 LEU HG H 1.771 0.02 . 157 . 19 LEU HD1 H 0.931 0.02 . 158 . 19 LEU HD2 H 0.855 0.02 . 159 . 19 LEU CD1 C 24.971 0.06 . 160 . 19 LEU CD2 C 23.624 0.06 . 161 . 19 LEU C C 179.017 0.06 . 162 . 20 GLN N N 117.955 0.03 . 163 . 20 GLN H H 8.003 0.02 . 164 . 20 GLN CA C 59.336 0.06 . 165 . 20 GLN HA H 4.238 0.02 . 166 . 20 GLN CB C 28.565 0.06 . 167 . 20 GLN HB2 H 2.312 0.02 . 168 . 20 GLN HB3 H 2.198 0.02 . 169 . 20 GLN CG C 34.180 0.06 . 170 . 20 GLN HG2 H 2.659 0.02 . 171 . 20 GLN HG3 H 2.444 0.02 . 172 . 20 GLN C C 181.454 0.06 . 173 . 21 GLN N N 123.386 0.03 . 174 . 21 GLN H H 8.791 0.02 . 175 . 21 GLN CA C 59.112 0.06 . 176 . 21 GLN HA H 3.940 0.02 . 177 . 21 GLN CB C 28.341 0.06 . 178 . 21 GLN HB2 H 2.129 0.02 . 179 . 21 GLN CG C 33.731 0.06 . 180 . 21 GLN HG2 H 2.332 0.02 . 181 . 21 GLN C C 178.329 0.06 . 182 . 22 LEU N N 116.874 0.03 . 183 . 22 LEU H H 7.559 0.02 . 184 . 22 LEU CA C 54.170 0.06 . 185 . 22 LEU HA H 4.288 0.02 . 186 . 22 LEU CB C 41.817 0.06 . 187 . 22 LEU HB2 H 1.685 0.02 . 188 . 22 LEU CG C 26.993 0.06 . 189 . 22 LEU HG H 1.632 0.02 . 190 . 22 LEU HD1 H 0.677 0.02 . 191 . 22 LEU HD2 H 0.735 0.02 . 192 . 22 LEU CD1 C 22.052 0.06 . 193 . 22 LEU CD2 C 28.341 0.06 . 194 . 22 LEU C C 174.717 0.06 . 195 . 23 ARG N N 114.354 0.03 . 196 . 23 ARG H H 7.902 0.02 . 197 . 23 ARG CA C 56.866 0.06 . 198 . 23 ARG HA H 3.821 0.02 . 199 . 23 ARG CB C 25.870 0.06 . 200 . 23 ARG HB2 H 2.122 0.02 . 201 . 23 ARG HB3 H 1.941 0.02 . 202 . 23 ARG CG C 27.667 0.06 . 203 . 23 ARG HG2 H 1.551 0.02 . 204 . 23 ARG CD C 43.389 0.06 . 205 . 23 ARG HD2 H 3.267 0.02 . 206 . 23 ARG HD3 H 3.201 0.02 . 207 . 23 ARG C C 175.625 0.06 . 208 . 24 VAL N N 120.876 0.03 . 209 . 24 VAL H H 8.256 0.02 . 210 . 24 VAL CA C 62.705 0.06 . 211 . 24 VAL HA H 3.900 0.02 . 212 . 24 VAL CB C 29.015 0.06 . 213 . 24 VAL HB H 2.053 0.02 . 214 . 24 VAL HG1 H 0.979 0.02 . 215 . 24 VAL HG2 H 0.872 0.02 . 216 . 24 VAL CG1 C 21.602 0.06 . 217 . 24 VAL CG2 C 21.602 0.06 . 218 . 24 VAL C C 175.921 0.06 . 219 . 25 GLU N N 127.937 0.03 . 220 . 25 GLU H H 8.763 0.02 . 221 . 25 GLU CA C 56.641 0.06 . 222 . 25 GLU HA H 4.093 0.02 . 223 . 25 GLU CB C 30.137 0.06 . 224 . 25 GLU HB2 H 2.062 0.02 . 225 . 25 GLU HB3 H 1.868 0.02 . 226 . 25 GLU CG C 34.180 0.06 . 227 . 25 GLU HG2 H 2.251 0.02 . 228 . 29 LYS CA C 59.112 0.06 . 229 . 29 LYS HA H 4.147 0.02 . 230 . 29 LYS CB C 31.710 0.06 . 231 . 29 LYS HB2 H 1.854 0.02 . 232 . 29 LYS CG C 24.971 0.06 . 233 . 29 LYS HG2 H 1.569 0.02 . 234 . 29 LYS HG3 H 1.462 0.02 . 235 . 29 LYS CD C 29.014 0.06 . 236 . 29 LYS HD2 H 1.678 0.02 . 237 . 29 LYS CE C 42.042 0.06 . 238 . 29 LYS HE2 H 2.971 0.02 . 239 . 30 LEU N N 119.947 0.03 . 240 . 30 LEU H H 8.193 0.02 . 241 . 30 LEU CA C 57.539 0.06 . 242 . 30 LEU HA H 4.222 0.02 . 243 . 30 LEU CB C 41.592 0.06 . 244 . 30 LEU HB2 H 1.660 0.02 . 245 . 30 LEU CG C 27.442 0.06 . 246 . 30 LEU HG H 1.495 0.02 . 247 . 30 LEU HD1 H 0.919 0.02 . 248 . 30 LEU HD2 H 0.855 0.02 . 249 . 30 LEU CD1 C 25.870 0.06 . 250 . 30 LEU CD2 C 24.298 0.06 . 251 . 30 LEU C C 178.358 0.06 . 252 . 31 TRP N N 121.108 0.03 . 253 . 31 TRP H H 7.690 0.02 . 254 . 31 TRP CA C 62.256 0.06 . 255 . 31 TRP HA H 3.618 0.02 . 256 . 31 TRP CB C 29.239 0.06 . 257 . 31 TRP HB2 H 3.340 0.02 . 258 . 31 TRP HB3 H 3.153 0.02 . 259 . 31 TRP NE1 N 129.057 0.03 . 260 . 31 TRP HD1 H 6.870 0.02 . 261 . 31 TRP HE3 H 7.135 0.02 . 262 . 31 TRP HE1 H 9.894 0.02 . 263 . 31 TRP HZ3 H 6.975 0.02 . 264 . 31 TRP HZ2 H 7.277 0.02 . 265 . 31 TRP HH2 H 7.070 0.02 . 266 . 31 TRP C C 177.125 0.06 . 267 . 32 ALA N N 118.352 0.03 . 268 . 32 ALA H H 7.401 0.02 . 269 . 32 ALA CA C 55.293 0.06 . 270 . 32 ALA HA H 4.016 0.02 . 271 . 32 ALA HB H 1.610 0.02 . 272 . 32 ALA CB C 18.009 0.06 . 273 . 32 ALA C C 180.517 0.06 . 274 . 33 GLN N N 119.227 0.03 . 275 . 33 GLN H H 8.424 0.02 . 276 . 33 GLN CA C 58.887 0.06 . 277 . 33 GLN HA H 4.024 0.02 . 278 . 33 GLN CB C 28.341 0.06 . 279 . 33 GLN HB2 H 2.201 0.02 . 280 . 33 GLN CG C 33.506 0.06 . 281 . 33 GLN HG2 H 2.467 0.02 . 282 . 33 GLN C C 179.036 0.06 . 283 . 34 CYS N N 118.114 0.03 . 284 . 34 CYS H H 8.215 0.02 . 285 . 34 CYS CA C 64.951 0.06 . 286 . 34 CYS HA H 3.924 0.02 . 287 . 34 CYS CB C 26.993 0.06 . 288 . 34 CYS HB2 H 2.941 0.02 . 289 . 34 CYS HB3 H 2.111 0.02 . 290 . 34 CYS C C 176.198 0.06 . 291 . 35 VAL N N 120.111 0.03 . 292 . 35 VAL H H 7.996 0.02 . 293 . 35 VAL CA C 66.973 0.06 . 294 . 35 VAL HA H 3.254 0.02 . 295 . 35 VAL CB C 31.485 0.06 . 296 . 35 VAL HB H 1.763 0.02 . 297 . 35 VAL HG1 H 0.666 0.02 . 298 . 35 VAL HG2 H 0.155 0.02 . 299 . 35 VAL CG1 C 21.153 0.06 . 300 . 35 VAL CG2 C 21.602 0.06 . 301 . 35 VAL C C 178.157 0.06 . 302 . 36 GLN N N 119.697 0.03 . 303 . 36 GLN H H 7.946 0.02 . 304 . 36 GLN CA C 59.112 0.06 . 305 . 36 GLN HA H 3.865 0.02 . 306 . 36 GLN CB C 29.688 0.06 . 307 . 36 GLN HB2 H 1.995 0.02 . 308 . 36 GLN CG C 36.651 0.06 . 309 . 36 GLN HG2 H 2.339 0.02 . 310 . 36 GLN HG3 H 2.156 0.02 . 311 . 36 GLN C C 177.985 0.06 . 312 . 37 LEU N N 119.810 0.03 . 313 . 37 LEU H H 8.169 0.02 . 314 . 37 LEU CA C 58.213 0.06 . 315 . 37 LEU HA H 4.088 0.02 . 316 . 37 LEU CB C 43.165 0.06 . 317 . 37 LEU HB2 H 1.944 0.02 . 318 . 37 LEU HB3 H 1.272 0.02 . 319 . 37 LEU HD1 H 0.926 0.02 . 320 . 37 LEU HD2 H 0.780 0.02 . 321 . 37 LEU CD1 C 23.624 0.06 . 322 . 37 LEU CD2 C 24.971 0.06 . 323 . 37 LEU C C 178.520 0.06 . 324 . 38 HIS N N 117.995 0.03 . 325 . 38 HIS H H 8.172 0.02 . 326 . 38 HIS CA C 61.133 0.06 . 327 . 38 HIS HA H 3.952 0.02 . 328 . 38 HIS CB C 30.811 0.06 . 329 . 38 HIS HB2 H 3.203 0.02 . 330 . 38 HIS HB3 H 2.879 0.02 . 331 . 38 HIS HD2 H 6.802 0.02 . 332 . 38 HIS HE1 H 7.562 0.02 . 333 . 38 HIS C C 176.284 0.06 . 334 . 39 ASN N N 117.752 0.03 . 335 . 39 ASN H H 7.910 0.02 . 336 . 39 ASN CA C 56.641 0.06 . 337 . 39 ASN HA H 4.415 0.02 . 338 . 39 ASN CB C 37.325 0.06 . 339 . 39 ASN HB2 H 2.768 0.02 . 340 . 39 ASN C C 177.173 0.06 . 341 . 40 ASP N N 119.290 0.03 . 342 . 40 ASP H H 8.347 0.02 . 343 . 40 ASP CA C 57.090 0.06 . 344 . 40 ASP HA H 4.207 0.02 . 345 . 40 ASP CB C 40.245 0.06 . 346 . 40 ASP HB2 H 2.967 0.02 . 347 . 40 ASP HB3 H 2.392 0.02 . 348 . 40 ASP C C 175.577 0.06 . 349 . 41 ILE N N 122.404 0.03 . 350 . 41 ILE H H 8.173 0.02 . 351 . 41 ILE CA C 66.299 0.06 . 352 . 41 ILE HA H 3.278 0.02 . 353 . 41 ILE CB C 37.774 0.06 . 354 . 41 ILE HB H 1.862 0.02 . 355 . 41 ILE HG2 H 0.718 0.02 . 356 . 41 ILE CG2 C 18.009 0.06 . 357 . 41 ILE CG1 C 31.485 0.06 . 358 . 41 ILE HG12 H 1.780 0.02 . 359 . 41 ILE HD1 H 0.721 0.02 . 360 . 41 ILE CD1 C 18.009 0.06 . 361 . 41 ILE C C 178.042 0.06 . 362 . 42 LEU N N 118.757 0.03 . 363 . 42 LEU H H 7.382 0.02 . 364 . 42 LEU CA C 57.539 0.06 . 365 . 42 LEU HA H 3.806 0.02 . 366 . 42 LEU CB C 40.918 0.06 . 367 . 42 LEU HB2 H 1.700 0.02 . 368 . 42 LEU HB3 H 1.368 0.02 . 369 . 42 LEU CG C 26.993 0.06 . 370 . 42 LEU HG H 1.421 0.02 . 371 . 42 LEU HD1 H 0.641 0.02 . 372 . 42 LEU HD2 H 0.641 0.02 . 373 . 42 LEU CD1 C 24.971 0.06 . 374 . 42 LEU CD2 C 23.175 0.06 . 375 . 42 LEU C C 178.683 0.06 . 376 . 43 LEU N N 116.050 0.03 . 377 . 43 LEU H H 7.324 0.02 . 378 . 43 LEU CA C 54.170 0.06 . 379 . 43 LEU HA H 4.217 0.02 . 380 . 43 LEU CB C 42.042 0.06 . 381 . 43 LEU HB2 H 1.588 0.02 . 382 . 43 LEU CG C 27.217 0.06 . 383 . 43 LEU HG H 1.590 0.02 . 384 . 43 LEU HD1 H 0.790 0.02 . 385 . 43 LEU HD2 H 0.742 0.02 . 386 . 43 LEU CD1 C 25.196 0.06 . 387 . 43 LEU CD2 C 22.725 0.06 . 388 . 43 LEU C C 177.048 0.06 . 389 . 44 ALA N N 123.694 0.03 . 390 . 44 ALA H H 7.160 0.02 . 391 . 44 ALA CA C 52.823 0.06 . 392 . 44 ALA HA H 4.049 0.02 . 393 . 44 ALA HB H 1.337 0.02 . 394 . 44 ALA CB C 18.458 0.06 . 395 . 44 ALA C C 178.616 0.06 . 396 . 45 LYS N N 121.606 0.03 . 397 . 45 LYS H H 8.727 0.02 . 398 . 45 LYS CA C 57.764 0.06 . 399 . 45 LYS HA H 4.072 0.02 . 400 . 45 LYS CB C 32.608 0.06 . 401 . 45 LYS HB2 H 1.806 0.02 . 402 . 45 LYS CG C 24.522 0.06 . 403 . 45 LYS HG2 H 1.438 0.02 . 404 . 45 LYS CD C 29.014 0.06 . 405 . 45 LYS HD2 H 1.628 0.02 . 406 . 45 LYS CE C 41.817 0.06 . 407 . 45 LYS HE2 H 2.971 0.02 . 408 . 45 LYS C C 175.940 0.06 . 409 . 46 ASP N N 115.358 0.03 . 410 . 46 ASP H H 7.513 0.02 . 411 . 46 ASP CA C 52.598 0.06 . 412 . 46 ASP HA H 4.656 0.02 . 413 . 46 ASP CB C 42.940 0.06 . 414 . 46 ASP HB2 H 2.812 0.02 . 415 . 46 ASP HB3 H 2.909 0.02 . 416 . 46 ASP C C 175.634 0.06 . 417 . 47 THR N N 115.943 0.03 . 418 . 47 THR H H 8.488 0.02 . 419 . 47 THR CA C 66.074 0.06 . 420 . 47 THR HA H 3.641 0.02 . 421 . 47 THR CB C 68.770 0.06 . 422 . 47 THR HB H 4.056 0.02 . 423 . 47 THR HG2 H 1.130 0.02 . 424 . 47 THR CG2 C 22.725 0.06 . 425 . 47 THR C C 175.300 0.06 . 426 . 48 THR N N 118.493 0.03 . 427 . 48 THR H H 7.975 0.02 . 428 . 48 THR CA C 67.871 0.06 . 429 . 48 THR HA H 4.194 0.02 . 430 . 48 THR CB C 67.871 0.06 . 431 . 48 THR HB H 3.792 0.02 . 432 . 48 THR HG2 H 1.213 0.02 . 433 . 48 THR CG2 C 22.052 0.06 . 434 . 48 THR C C 175.338 0.06 . 435 . 49 GLU N N 122.099 0.03 . 436 . 49 GLU H H 8.194 0.02 . 437 . 49 GLU CA C 59.112 0.06 . 438 . 49 GLU HA H 4.029 0.02 . 439 . 49 GLU CB C 28.790 0.06 . 440 . 49 GLU HB2 H 2.202 0.02 . 441 . 49 GLU CG C 33.731 0.06 . 442 . 49 GLU HG2 H 2.457 0.02 . 443 . 49 GLU C C 178.167 0.06 . 444 . 50 ALA N N 120.229 0.03 . 445 . 50 ALA H H 7.752 0.02 . 446 . 50 ALA CA C 55.743 0.06 . 447 . 50 ALA HA H 3.684 0.02 . 448 . 50 ALA HB H 1.194 0.02 . 449 . 50 ALA CB C 17.335 0.06 . 450 . 50 ALA C C 179.294 0.06 . 451 . 51 PHE N N 115.853 0.03 . 452 . 51 PHE H H 8.173 0.02 . 453 . 51 PHE CA C 61.358 0.06 . 454 . 51 PHE HA H 4.174 0.02 . 455 . 51 PHE CB C 38.223 0.06 . 456 . 51 PHE HB2 H 2.660 0.02 . 457 . 51 PHE HB3 H 2.464 0.02 . 458 . 51 PHE HD1 H 7.145 0.02 . 459 . 51 PHE HE1 H 7.254 0.02 . 460 . 51 PHE HZ H 7.227 0.02 . 461 . 51 PHE C C 178.214 0.06 . 462 . 52 GLU N N 119.876 0.03 . 463 . 52 GLU H H 8.262 0.02 . 464 . 52 GLU CA C 60.235 0.06 . 465 . 52 GLU HA H 3.475 0.02 . 466 . 52 GLU CB C 29.464 0.06 . 467 . 52 GLU HB2 H 1.937 0.02 . 468 . 52 GLU CG C 36.651 0.06 . 469 . 52 GLU HG2 H 2.211 0.02 . 470 . 52 GLU HG3 H 1.940 0.02 . 471 . 52 GLU C C 180.317 0.06 . 472 . 53 LYS N N 118.729 0.03 . 473 . 53 LYS H H 8.081 0.02 . 474 . 53 LYS CA C 59.112 0.06 . 475 . 53 LYS HA H 3.989 0.02 . 476 . 53 LYS CB C 33.282 0.06 . 477 . 53 LYS HB2 H 1.829 0.02 . 478 . 53 LYS C C 178.683 0.06 . 479 . 54 MET N N 122.457 0.03 . 480 . 54 MET H H 8.534 0.02 . 481 . 54 MET CA C 59.561 0.06 . 482 . 54 MET HA H 4.049 0.02 . 483 . 54 MET CB C 33.282 0.06 . 484 . 54 MET HB2 H 2.266 0.02 . 485 . 54 MET HB3 H 2.121 0.02 . 486 . 54 MET CG C 32.833 0.06 . 487 . 54 MET HG2 H 2.553 0.02 . 488 . 54 MET C C 178.281 0.06 . 489 . 55 VAL N N 119.696 0.03 . 490 . 55 VAL H H 8.563 0.02 . 491 . 55 VAL CA C 67.647 0.06 . 492 . 55 VAL HA H 3.395 0.02 . 493 . 55 VAL CB C 31.260 0.06 . 494 . 55 VAL HB H 2.335 0.02 . 495 . 55 VAL HG1 H 1.139 0.02 . 496 . 55 VAL HG2 H 0.944 0.02 . 497 . 55 VAL CG1 C 24.747 0.06 . 498 . 55 VAL CG2 C 22.052 0.06 . 499 . 55 VAL C C 179.093 0.06 . 500 . 56 SER N N 117.526 0.03 . 501 . 56 SER H H 7.871 0.02 . 502 . 56 SER HA H 4.125 0.02 . 503 . 56 SER CB C 62.705 0.06 . 504 . 56 SER HB2 H 3.956 0.02 . 505 . 56 SER C C 175.577 0.06 . 506 . 57 LEU N N 122.510 0.03 . 507 . 57 LEU H H 8.155 0.02 . 508 . 57 LEU CA C 58.438 0.06 . 509 . 57 LEU HA H 3.951 0.02 . 510 . 57 LEU CB C 41.368 0.06 . 511 . 57 LEU HB2 H 2.045 0.02 . 512 . 57 LEU HB3 H 1.410 0.02 . 513 . 57 LEU CG C 27.667 0.06 . 514 . 57 LEU HG H 1.365 0.02 . 515 . 57 LEU HD1 H 0.891 0.02 . 516 . 57 LEU HD2 H 0.725 0.02 . 517 . 57 LEU CD1 C 23.848 0.06 . 518 . 57 LEU CD2 C 25.870 0.06 . 519 . 57 LEU C C 177.087 0.06 . 520 . 58 LEU N N 116.250 0.03 . 521 . 58 LEU H H 8.422 0.02 . 522 . 58 LEU CA C 58.213 0.06 . 523 . 58 LEU HA H 3.776 0.02 . 524 . 58 LEU CB C 41.368 0.06 . 525 . 58 LEU HB2 H 1.679 0.02 . 526 . 58 LEU CG C 26.319 0.06 . 527 . 58 LEU HG H 1.536 0.02 . 528 . 58 LEU HD1 H -0.169 0.02 . 529 . 58 LEU HD2 H 0.519 0.02 . 530 . 58 LEU CD1 C 24.298 0.06 . 531 . 58 LEU CD2 C 22.950 0.06 . 532 . 58 LEU C C 179.113 0.06 . 533 . 59 SER N N 114.205 0.03 . 534 . 59 SER H H 8.475 0.02 . 535 . 59 SER CA C 62.930 0.06 . 536 . 59 SER HA H 4.001 0.02 . 537 . 59 SER CB C 62.930 0.06 . 538 . 59 SER HB2 H 3.776 0.02 . 539 . 59 SER C C 176.485 0.06 . 540 . 60 VAL N N 123.772 0.03 . 541 . 60 VAL H H 8.197 0.02 . 542 . 60 VAL CA C 66.299 0.06 . 543 . 60 VAL HA H 3.779 0.02 . 544 . 60 VAL CB C 30.811 0.06 . 545 . 60 VAL HB H 2.167 0.02 . 546 . 60 VAL HG1 H 0.952 0.02 . 547 . 60 VAL HG2 H 0.835 0.02 . 548 . 60 VAL CG1 C 22.725 0.06 . 549 . 60 VAL CG2 C 21.378 0.06 . 550 . 60 VAL C C 179.313 0.06 . 551 . 61 LEU N N 119.943 0.03 . 552 . 61 LEU H H 7.440 0.02 . 553 . 61 LEU CA C 57.764 0.06 . 554 . 61 LEU HA H 3.931 0.02 . 555 . 61 LEU CB C 42.042 0.06 . 556 . 61 LEU HB2 H 1.898 0.02 . 557 . 61 LEU HB3 H 1.326 0.02 . 558 . 61 LEU CG C 27.667 0.06 . 559 . 61 LEU HG H 1.588 0.02 . 560 . 61 LEU HD1 H 0.885 0.02 . 561 . 61 LEU HD2 H 0.716 0.02 . 562 . 61 LEU CD1 C 25.870 0.06 . 563 . 61 LEU CD2 C 24.747 0.06 . 564 . 61 LEU C C 179.256 0.06 . 565 . 62 LEU N N 119.406 0.03 . 566 . 62 LEU H H 8.185 0.02 . 567 . 62 LEU CA C 57.764 0.06 . 568 . 62 LEU HA H 3.934 0.02 . 569 . 62 LEU C C 179.390 0.06 . 570 . 63 SER N N 117.369 0.03 . 571 . 63 SER H H 8.777 0.02 . 572 . 63 SER CA C 61.807 0.06 . 573 . 63 SER HA H 3.965 0.02 . 574 . 63 SER CB C 62.705 0.06 . 575 . 63 SER HB2 H 3.965 0.02 . 576 . 63 SER C C 178.128 0.06 . 577 . 64 MET N N 120.344 0.03 . 578 . 64 MET H H 7.435 0.02 . 579 . 64 MET CA C 57.315 0.06 . 580 . 64 MET HA H 4.267 0.02 . 581 . 64 MET CB C 31.485 0.06 . 582 . 64 MET HB2 H 2.201 0.02 . 583 . 64 MET CG C 31.710 0.06 . 584 . 64 MET HG2 H 2.724 0.02 . 585 . 64 MET HG3 H 2.602 0.02 . 586 . 64 MET C C 177.335 0.06 . 587 . 65 GLN N N 115.759 0.03 . 588 . 65 GLN H H 7.443 0.02 . 589 . 65 GLN CA C 55.069 0.06 . 590 . 65 GLN HA H 4.266 0.02 . 591 . 65 GLN CB C 28.790 0.06 . 592 . 65 GLN HB2 H 2.474 0.02 . 593 . 65 GLN HB3 H 2.010 0.02 . 594 . 65 GLN CG C 33.731 0.06 . 595 . 65 GLN HG2 H 2.640 0.02 . 596 . 65 GLN HG3 H 2.067 0.02 . 597 . 65 GLN C C 175.147 0.06 . 598 . 66 GLY N N 104.374 0.03 . 599 . 66 GLY H H 7.545 0.02 . 600 . 66 GLY CA C 43.838 0.06 . 601 . 66 GLY HA2 H 3.667 0.02 . 602 . 66 GLY C C 174.497 0.06 . 603 . 67 ALA N N 123.876 0.03 . 604 . 67 ALA H H 7.623 0.02 . 605 . 67 ALA CA C 50.127 0.06 . 606 . 67 ALA HA H 4.944 0.02 . 607 . 67 ALA HB H 1.120 0.02 . 608 . 67 ALA CB C 16.661 0.06 . 609 . 67 ALA C C 176.552 0.06 . 610 . 68 VAL N N 121.108 0.03 . 611 . 68 VAL H H 7.656 0.02 . 612 . 68 VAL CA C 64.278 0.06 . 613 . 68 VAL HA H 3.917 0.02 . 614 . 68 VAL CB C 31.934 0.06 . 615 . 68 VAL HB H 2.048 0.02 . 616 . 68 VAL HG1 H 0.886 0.02 . 617 . 68 VAL HG2 H 0.888 0.02 . 618 . 68 VAL CG1 C 20.255 0.06 . 619 . 68 VAL CG2 C 21.602 0.06 . 620 . 69 ASP CA C 55.293 0.06 . 621 . 69 ASP HA H 4.995 0.02 . 622 . 69 ASP CB C 40.918 0.06 . 623 . 69 ASP HB2 H 2.878 0.02 . 624 . 69 ASP HB3 H 2.347 0.02 . 625 . 70 ILE N N 120.133 0.03 . 626 . 70 ILE H H 7.802 0.02 . 627 . 70 ILE CA C 61.133 0.06 . 628 . 70 ILE HA H 3.927 0.02 . 629 . 70 ILE CB C 38.448 0.06 . 630 . 70 ILE HB H 1.901 0.02 . 631 . 70 ILE HG2 H 1.058 0.02 . 632 . 70 ILE CG2 C 20.030 0.06 . 633 . 70 ILE CG1 C 28.565 0.06 . 634 . 70 ILE HG12 H 1.348 0.02 . 635 . 70 ILE HD1 H 0.755 0.02 . 636 . 70 ILE CD1 C 14.640 0.06 . 637 . 70 ILE C C 175.854 0.06 . 638 . 71 ASN N N 121.796 0.03 . 639 . 71 ASN H H 8.130 0.02 . 640 . 71 ASN CA C 56.866 0.06 . 641 . 71 ASN HA H 4.420 0.02 . 642 . 71 ASN CB C 36.876 0.06 . 643 . 71 ASN HB2 H 2.764 0.02 . 644 . 71 ASN C C 177.488 0.06 . 645 . 72 ARG N N 120.489 0.03 . 646 . 72 ARG H H 7.697 0.02 . 647 . 72 ARG CA C 58.662 0.06 . 648 . 72 ARG HA H 4.028 0.02 . 649 . 72 ARG CB C 29.913 0.06 . 650 . 72 ARG HB2 H 1.804 0.02 . 651 . 72 ARG CG C 27.217 0.06 . 652 . 72 ARG HG2 H 1.700 0.02 . 653 . 72 ARG HG3 H 1.555 0.02 . 654 . 72 ARG CD C 43.389 0.06 . 655 . 72 ARG HD2 H 3.200 0.02 . 656 . 72 ARG HD3 H 3.129 0.02 . 657 . 72 ARG C C 178.663 0.06 . 658 . 73 LEU N N 120.293 0.03 . 659 . 73 LEU H H 7.779 0.02 . 660 . 73 LEU CA C 57.989 0.06 . 661 . 73 LEU HA H 3.933 0.02 . 662 . 73 LEU CB C 41.143 0.06 . 663 . 73 LEU HB2 H 2.147 0.02 . 664 . 73 LEU HB3 H 1.265 0.02 . 665 . 73 LEU CG C 27.442 0.06 . 666 . 73 LEU HG H 1.579 0.02 . 667 . 73 LEU HD1 H 0.721 0.02 . 668 . 73 LEU HD2 H 0.785 0.02 . 669 . 73 LEU CD1 C 25.870 0.06 . 670 . 73 LEU CD2 C 23.624 0.06 . 671 . 73 LEU C C 178.061 0.06 . 672 . 74 CYS N N 117.235 0.03 . 673 . 74 CYS H H 7.986 0.02 . 674 . 74 CYS CA C 64.727 0.06 . 675 . 74 CYS HA H 3.921 0.02 . 676 . 74 CYS CB C 26.319 0.06 . 677 . 74 CYS HB2 H 3.086 0.02 . 678 . 74 CYS HB3 H 2.720 0.02 . 679 . 74 CYS C C 176.322 0.06 . 680 . 75 GLU N N 118.403 0.03 . 681 . 75 GLU H H 8.029 0.02 . 682 . 75 GLU CA C 59.336 0.06 . 683 . 75 GLU HA H 3.866 0.02 . 684 . 75 GLU CB C 29.464 0.06 . 685 . 75 GLU HB2 H 2.000 0.02 . 686 . 75 GLU CG C 36.426 0.06 . 687 . 75 GLU HG2 H 2.338 0.02 . 688 . 75 GLU HG3 H 2.155 0.02 . 689 . 75 GLU C C 178.616 0.06 . 690 . 76 GLU N N 119.115 0.03 . 691 . 76 GLU H H 8.081 0.02 . 692 . 76 GLU CA C 59.336 0.06 . 693 . 76 GLU HA H 3.982 0.02 . 694 . 76 GLU CB C 29.913 0.06 . 695 . 76 GLU HB2 H 2.072 0.02 . 696 . 76 GLU CG C 36.876 0.06 . 697 . 76 GLU HG2 H 2.333 0.02 . 698 . 76 GLU HG3 H 2.156 0.02 . 699 . 76 GLU C C 178.941 0.06 . 700 . 77 MET N N 116.525 0.03 . 701 . 77 MET H H 8.042 0.02 . 702 . 77 MET CA C 59.336 0.06 . 703 . 77 MET HA H 3.946 0.02 . 704 . 77 MET C C 177.297 0.06 . 705 . 78 LEU N N 116.627 0.03 . 706 . 78 LEU H H 7.596 0.02 . 707 . 78 LEU CA C 56.416 0.06 . 708 . 78 LEU HA H 4.003 0.02 . 709 . 78 LEU CB C 41.592 0.06 . 710 . 78 LEU HB2 H 1.735 0.02 . 711 . 78 LEU HB3 H 1.419 0.02 . 712 . 78 LEU CG C 26.768 0.06 . 713 . 78 LEU HG H 1.586 0.02 . 714 . 78 LEU HD1 H 0.768 0.02 . 715 . 78 LEU HD2 H 0.648 0.02 . 716 . 78 LEU CD1 C 25.196 0.06 . 717 . 78 LEU CD2 C 22.501 0.06 . 718 . 78 LEU C C 178.950 0.06 . 719 . 79 ASP N N 120.758 0.03 . 720 . 79 ASP H H 8.013 0.02 . 721 . 79 ASP CA C 56.192 0.06 . 722 . 79 ASP HA H 4.427 0.02 . 723 . 79 ASP CB C 40.918 0.06 . 724 . 79 ASP HB2 H 2.651 0.02 . 725 . 79 ASP C C 177.479 0.06 . 726 . 80 ASN N N 117.619 0.03 . 727 . 80 ASN H H 8.251 0.02 . 728 . 80 ASN CA C 54.170 0.06 . 729 . 80 ASN HA H 4.547 0.02 . 730 . 80 ASN CB C 38.448 0.06 . 731 . 80 ASN HB2 H 2.754 0.02 . 732 . 80 ASN C C 176.169 0.06 . 733 . 81 ARG N N 119.263 0.03 . 734 . 81 ARG H H 7.791 0.02 . 735 . 81 ARG CA C 57.315 0.06 . 736 . 81 ARG HA H 4.141 0.02 . 737 . 81 ARG CB C 29.913 0.06 . 738 . 81 ARG HB2 H 1.816 0.02 . 739 . 81 ARG HB3 H 1.724 0.02 . 740 . 81 ARG CG C 26.993 0.06 . 741 . 81 ARG HG2 H 1.651 0.02 . 742 . 81 ARG CD C 42.940 0.06 . 743 . 81 ARG HD2 H 3.105 0.02 . 744 . 81 ARG HD3 H 2.918 0.02 . 745 . 81 ARG C C 176.848 0.06 . 746 . 82 ALA N N 122.982 0.03 . 747 . 82 ALA H H 7.977 0.02 . 748 . 82 ALA CA C 53.047 0.06 . 749 . 82 ALA HA H 4.245 0.02 . 750 . 82 ALA HB H 1.398 0.02 . 751 . 82 ALA CB C 18.682 0.06 . 752 . 82 ALA C C 178.272 0.06 . 753 . 83 THR N N 111.798 0.03 . 754 . 83 THR H H 7.901 0.02 . 755 . 83 THR CA C 62.031 0.06 . 756 . 83 THR HA H 4.253 0.02 . 757 . 83 THR CB C 69.893 0.06 . 758 . 83 THR HB H 4.203 0.02 . 759 . 83 THR HG2 H 1.169 0.02 . 760 . 83 THR CG2 C 21.602 0.06 . 761 . 83 THR C C 174.583 0.06 . 762 . 84 LEU N N 124.338 0.03 . 763 . 84 LEU H H 7.947 0.02 . 764 . 84 LEU CA C 55.293 0.06 . 765 . 84 LEU HA H 4.313 0.02 . 766 . 84 LEU CB C 42.266 0.06 . 767 . 84 LEU HB2 H 1.625 0.02 . 768 . 84 LEU HB3 H 1.564 0.02 . 769 . 84 LEU CG C 26.768 0.06 . 770 . 84 LEU HG H 1.598 0.02 . 771 . 84 LEU HD1 H 0.837 0.02 . 772 . 84 LEU HD2 H 0.793 0.02 . 773 . 84 LEU CD1 C 24.971 0.06 . 774 . 84 LEU CD2 C 23.399 0.06 . 775 . 84 LEU C C 176.418 0.06 . 776 . 85 GLN N N 125.512 0.03 . 777 . 85 GLN H H 7.740 0.02 . 778 . 85 GLN CA C 57.315 0.06 . 779 . 85 GLN HA H 4.087 0.02 . 780 . 85 GLN CB C 30.362 0.06 . 781 . 85 GLN HB2 H 2.061 0.02 . 782 . 85 GLN HB3 H 1.867 0.02 . 783 . 85 GLN CG C 34.180 0.06 . 784 . 85 GLN HG2 H 2.252 0.02 . stop_ save_