data_34334 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR solution structure of the HVO_2922 protein from Haloferax volcanii ; _BMRB_accession_number 34334 _BMRB_flat_file_name bmr34334.str _Entry_type original _Submission_date 2018-12-03 _Accession_date 2018-12-03 _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 Kubatova N. . . 2 Jonker H. R.A. . 3 Saxena K. . . 4 Richter C. . . 5 Marchfelder A. . . 6 Schwalbe H. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 339 "13C chemical shifts" 235 "15N chemical shifts" 63 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2019-06-07 original BMRB . stop_ _Original_release_date 2018-12-07 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Solution structure and dynamics of HVO_2922 protein from Haloferax volcanii ; _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 Kubatova N. . . 2 Jonker H. R.A. . 3 Saxena K. . . 4 Richter C. . . 5 Marchfelder A. . . 6 Schwalbe H. . . stop_ _Journal_abbreviation 'to be published' _Journal_volume . _Journal_issue . _Journal_CSD 0353 _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'UPF0339 family protein' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'entity_1, 1' $entity_1 'entity_1, 2' $entity_1 stop_ _System_molecular_weight . _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity_1 _Molecular_mass 6686.416 _Mol_thiol_state 'not present' _Details 'conserved hypothetical protein HVO_2922 from Haloferax volcanii' ############################## # Polymer residue sequence # ############################## _Residue_count 60 _Mol_residue_sequence ; MNKAHFEVFVDAADKYRWRL VHDNGNILADSGEGYASKQK AKQGIESVKRNAPDADVIEA ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 101 MET 2 102 ASN 3 103 LYS 4 104 ALA 5 105 HIS 6 106 PHE 7 107 GLU 8 108 VAL 9 109 PHE 10 110 VAL 11 111 ASP 12 112 ALA 13 113 ALA 14 114 ASP 15 115 LYS 16 116 TYR 17 117 ARG 18 118 TRP 19 119 ARG 20 120 LEU 21 121 VAL 22 122 HIS 23 123 ASP 24 124 ASN 25 125 GLY 26 126 ASN 27 127 ILE 28 128 LEU 29 129 ALA 30 130 ASP 31 131 SER 32 132 GLY 33 133 GLU 34 134 GLY 35 135 TYR 36 136 ALA 37 137 SER 38 138 LYS 39 139 GLN 40 140 LYS 41 141 ALA 42 142 LYS 43 143 GLN 44 144 GLY 45 145 ILE 46 146 GLU 47 147 SER 48 148 VAL 49 149 LYS 50 150 ARG 51 151 ASN 52 152 ALA 53 153 PRO 54 154 ASP 55 155 ALA 56 156 ASP 57 157 VAL 58 158 ILE 59 159 GLU 60 160 ALA stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _ATCC_number _Gene_mnemonic _Details $entity_1 'Halobacterium volcanii' 309800 Archaea . Halobacterium volcanii 29605 HVO_2922 'Haloferax volcanii (strain ATCC 29605 / DSM 3757 / JCM 8879 / NBRC 14742 / NCIMB 2012 / VKM B-1768 / DS2)' stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Variant _Vector_type _Vector_name $entity_1 'recombinant technology' . Escherichia coli BL21 T7-Express plasmid pE-SUMO stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '5.0 mM [U-15N] HVO_2922, 50 mM sodium phosphate, 100 mM sodium chloride, 3 mM DTT, 95% H2O/5% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 5.0 mM [U-15N] 'sodium phosphate' 50 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' DTT 3 mM 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details '2.0 mM [U-13C; U-15N] HVO_2922, 50 mM sodium phosphate, 100 mM sodium chloride, 3 mM DTT, 95% H2O/5% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 2.0 mM '[U-13C; U-15N]' 'sodium phosphate' 50 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' DTT 3 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name TOPSPIN _Version 3.5 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection processing stop_ _Details . save_ save_software_2 _Saveframe_category software _Name SPARKY _Version 3.114 loop_ _Vendor _Address _Electronic_address 'Goddard and Kneller' . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' 'peak picking' stop_ _Details . save_ save_software_3 _Saveframe_category software _Name TALOS _Version N loop_ _Vendor _Address _Electronic_address 'Shen and Bax' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_software_4 _Saveframe_category software _Name TENSOR _Version 2 loop_ _Vendor _Address _Electronic_address 'Dosset, Marion, Blackledge' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_software_5 _Saveframe_category software _Name CYANA _Version 3.97 loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure calculation' stop_ _Details . save_ save_software_6 _Saveframe_category software _Name CNS _Version 1.1 loop_ _Vendor _Address _Electronic_address 'Brunger, Adams, Clore, Gros, Nilges and Read' . . stop_ loop_ _Task 'structure calculation' stop_ _Details . save_ save_software_7 _Saveframe_category software _Name ARIA _Version '1.2 HJ' loop_ _Vendor _Address _Electronic_address "Linge, O'Donoghue and Nilges" . . stop_ loop_ _Task refinement stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model 'Avance Bruker 600' _Field_strength 600 _Details cryoprobe save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model 'Avance Bruker 700' _Field_strength 700 _Details cryoprobe save_ save_NMR_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model 'Avance Bruker 800' _Field_strength 800 _Details cryoprobe save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_aliphatic_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic' _Sample_label $sample_1 save_ save_2D_1H-1H_NOESY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_1 save_ save_2D_1H-1H_TOCSY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-15N_TOCSY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _Sample_label $sample_1 save_ save_3D_HNHA_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHA' _Sample_label $sample_1 save_ save_2D_1H-15N_HETNOE_8 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HETNOE' _Sample_label $sample_1 save_ save_2D_1H-15N_T1_9 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N T1' _Sample_label $sample_1 save_ save_2D_1H-15N_T2_10 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N T2' _Sample_label $sample_1 save_ save_3D_HNCACB_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_2 save_ save_3D_HN(COCA)CB_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(COCA)CB' _Sample_label $sample_2 save_ save_3D_HNCO_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_2 save_ save_3D_(H)CC(CO)NH_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3D (H)CC(CO)NH' _Sample_label $sample_2 save_ save_3D_HCCH-TOCSY_15 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_2 save_ save_3D_1H-13C_NOESY_aliphatic_16 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_2 save_ save_3D_1H-13C_TOCSY_aromatic_17 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C TOCSY aromatic' _Sample_label $sample_2 save_ save_2D_(HB)CB(CGCD)HD_18 _Saveframe_category NMR_applied_experiment _Experiment_name '2D (HB)CB(CGCD)HD' _Sample_label $sample_2 save_ save_2D_(HB)CB(CGCDCE)HE_19 _Saveframe_category NMR_applied_experiment _Experiment_name '2D (HB)CB(CGCDCE)HE' _Sample_label $sample_2 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' 232 . mM pH 7.5 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.000 internal indirect . . . 0.25144953 DSS H 1 'methyl protons' ppm 0.000 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.000 internal indirect . . . 0.10132912 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Saveframe_category assigned_chemical_shifts _Details 'backbone and sidechain resonance assignment of the HVO_2922 protein from Haloferax volcanii' loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC aliphatic' '2D 1H-1H NOESY' '2D 1H-1H TOCSY' '3D 1H-15N NOESY' '3D 1H-15N TOCSY' '3D HNHA' '2D 1H-15N HETNOE' '2D 1H-15N T1' '2D 1H-15N T2' '3D HNCACB' '3D HN(COCA)CB' '3D HNCO' '3D (H)CC(CO)NH' '3D HCCH-TOCSY' '3D 1H-13C NOESY aliphatic' '3D 1H-13C TOCSY aromatic' '2D (HB)CB(CGCD)HD' '2D (HB)CB(CGCDCE)HE' stop_ loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chem_shift_reference_1 _Mol_system_component_name 'entity_1, 1' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 101 1 MET HA H 3.86 0.02 1 2 101 1 MET HB2 H 2.19 0.02 2 3 101 1 MET HB3 H 2.12 0.02 2 4 101 1 MET HG2 H 2.64 0.02 2 5 101 1 MET HG3 H 2.64 0.02 2 6 101 1 MET HE H 2.11 0.02 1 7 101 1 MET CA C 56.81 0.10 1 8 101 1 MET CG C 31.58 0.10 1 9 101 1 MET CE C 16.92 0.10 1 10 102 2 ASN HA H 4.82 0.02 1 11 102 2 ASN HB2 H 2.92 0.02 2 12 102 2 ASN HB3 H 2.83 0.02 2 13 102 2 ASN HD21 H 7.10 0.02 2 14 102 2 ASN HD22 H 7.71 0.02 2 15 102 2 ASN C C 174.71 0.10 1 16 102 2 ASN CA C 53.48 0.10 1 17 102 2 ASN CB C 39.17 0.10 1 18 102 2 ASN ND2 N 113.25 0.10 1 19 103 3 LYS H H 8.19 0.02 1 20 103 3 LYS HA H 4.41 0.02 1 21 103 3 LYS HB2 H 1.60 0.02 2 22 103 3 LYS HB3 H 1.77 0.02 2 23 103 3 LYS HG2 H 1.46 0.02 2 24 103 3 LYS HG3 H 1.38 0.02 2 25 103 3 LYS HD2 H 1.73 0.02 2 26 103 3 LYS HD3 H 1.73 0.02 2 27 103 3 LYS HE2 H 3.05 0.02 2 28 103 3 LYS HE3 H 3.05 0.02 2 29 103 3 LYS C C 173.96 0.10 1 30 103 3 LYS CA C 55.61 0.10 1 31 103 3 LYS CB C 33.73 0.10 1 32 103 3 LYS CG C 24.69 0.10 1 33 103 3 LYS CD C 29.08 0.10 1 34 103 3 LYS CE C 42.19 0.10 1 35 103 3 LYS N N 120.98 0.10 1 36 104 4 ALA H H 7.99 0.02 1 37 104 4 ALA HA H 4.89 0.02 1 38 104 4 ALA HB H 0.93 0.02 1 39 104 4 ALA C C 175.46 0.10 1 40 104 4 ALA CA C 50.74 0.10 1 41 104 4 ALA CB C 22.35 0.10 1 42 104 4 ALA N N 120.22 0.10 1 43 105 5 HIS H H 8.53 0.02 1 44 105 5 HIS HA H 5.20 0.02 1 45 105 5 HIS HB2 H 3.21 0.02 2 46 105 5 HIS HB3 H 3.10 0.02 2 47 105 5 HIS HD2 H 6.89 0.02 1 48 105 5 HIS HE1 H 6.89 0.02 1 49 105 5 HIS C C 173.49 0.10 1 50 105 5 HIS CA C 55.45 0.10 1 51 105 5 HIS CB C 31.57 0.20 1 52 105 5 HIS N N 112.35 0.20 1 53 106 6 PHE H H 9.92 0.04 1 54 106 6 PHE HA H 5.58 0.02 1 55 106 6 PHE HB2 H 3.22 0.02 2 56 106 6 PHE HB3 H 2.86 0.02 2 57 106 6 PHE HD1 H 6.96 0.02 3 58 106 6 PHE HD2 H 6.96 0.02 3 59 106 6 PHE C C 176.06 0.10 1 60 106 6 PHE CA C 58.04 0.10 1 61 106 6 PHE CB C 42.53 0.20 1 62 106 6 PHE N N 121.37 0.20 1 63 107 7 GLU H H 9.76 0.02 1 64 107 7 GLU HA H 5.61 0.02 1 65 107 7 GLU HB2 H 2.18 0.02 2 66 107 7 GLU HB3 H 2.18 0.02 2 67 107 7 GLU HG2 H 2.40 0.02 2 68 107 7 GLU HG3 H 2.37 0.02 2 69 107 7 GLU C C 176.35 0.10 1 70 107 7 GLU CA C 54.73 0.10 1 71 107 7 GLU CB C 32.71 0.10 1 72 107 7 GLU CG C 36.94 0.10 1 73 107 7 GLU N N 120.92 0.10 1 74 108 8 VAL H H 9.07 0.02 1 75 108 8 VAL HA H 5.31 0.02 1 76 108 8 VAL HB H 2.10 0.02 1 77 108 8 VAL HG1 H 0.97 0.02 2 78 108 8 VAL HG2 H 1.15 0.02 2 79 108 8 VAL C C 174.99 0.10 1 80 108 8 VAL CA C 61.50 0.10 1 81 108 8 VAL CB C 33.62 0.10 1 82 108 8 VAL CG1 C 22.73 0.10 1 83 108 8 VAL CG2 C 21.59 0.10 1 84 108 8 VAL N N 124.37 0.10 1 85 109 9 PHE H H 8.87 0.02 1 86 109 9 PHE HA H 5.35 0.02 1 87 109 9 PHE HB2 H 3.19 0.02 2 88 109 9 PHE HB3 H 2.97 0.02 2 89 109 9 PHE HD1 H 7.02 0.02 3 90 109 9 PHE HD2 H 7.02 0.02 3 91 109 9 PHE HE1 H 7.06 0.02 3 92 109 9 PHE HE2 H 7.06 0.02 3 93 109 9 PHE C C 171.42 0.10 1 94 109 9 PHE CA C 55.44 0.10 1 95 109 9 PHE CB C 42.25 0.10 1 96 109 9 PHE N N 125.76 0.10 1 97 110 10 VAL H H 8.59 0.02 1 98 110 10 VAL HA H 4.39 0.02 1 99 110 10 VAL HB H 1.69 0.02 1 100 110 10 VAL HG1 H 0.45 0.02 2 101 110 10 VAL HG2 H 0.77 0.02 2 102 110 10 VAL C C 176.31 0.10 1 103 110 10 VAL CA C 60.61 0.10 1 104 110 10 VAL CB C 33.05 0.10 1 105 110 10 VAL CG1 C 21.72 0.10 1 106 110 10 VAL CG2 C 20.94 0.10 1 107 110 10 VAL N N 120.24 0.10 1 108 111 11 ASP H H 9.13 0.02 1 109 111 11 ASP HA H 4.79 0.02 1 110 111 11 ASP HB2 H 3.41 0.02 2 111 111 11 ASP HB3 H 2.31 0.02 2 112 111 11 ASP C C 177.77 0.10 1 113 111 11 ASP CA C 52.47 0.10 1 114 111 11 ASP CB C 42.38 0.10 1 115 111 11 ASP N N 129.66 0.10 1 116 112 12 ALA H H 8.14 0.02 1 117 112 12 ALA HA H 4.20 0.02 1 118 112 12 ALA HB H 1.45 0.02 1 119 112 12 ALA C C 177.73 0.10 1 120 112 12 ALA CA C 53.99 0.10 1 121 112 12 ALA CB C 18.53 0.10 1 122 112 12 ALA N N 118.82 0.10 1 123 113 13 ALA H H 8.42 0.02 1 124 113 13 ALA HA H 4.48 0.02 1 125 113 13 ALA HB H 1.35 0.02 1 126 113 13 ALA C C 176.22 0.10 1 127 113 13 ALA CA C 51.05 0.10 1 128 113 13 ALA CB C 18.78 0.10 1 129 113 13 ALA N N 122.79 0.10 1 130 114 14 ASP H H 8.00 0.02 1 131 114 14 ASP HA H 4.08 0.02 1 132 114 14 ASP HB2 H 2.92 0.02 2 133 114 14 ASP HB3 H 2.83 0.02 2 134 114 14 ASP C C 175.01 0.10 1 135 114 14 ASP CA C 56.18 0.10 1 136 114 14 ASP CB C 39.22 0.10 1 137 114 14 ASP N N 114.00 0.10 1 138 115 15 LYS H H 8.30 0.02 1 139 115 15 LYS HA H 4.52 0.02 1 140 115 15 LYS HB2 H 2.02 0.02 2 141 115 15 LYS HB3 H 1.40 0.02 2 142 115 15 LYS HG2 H 1.34 0.02 2 143 115 15 LYS HG3 H 1.20 0.02 2 144 115 15 LYS HD2 H 1.47 0.02 2 145 115 15 LYS HD3 H 1.36 0.02 2 146 115 15 LYS HE2 H 2.91 0.02 2 147 115 15 LYS HE3 H 2.91 0.02 2 148 115 15 LYS C C 175.43 0.10 1 149 115 15 LYS CA C 53.88 0.10 1 150 115 15 LYS CB C 32.63 0.10 1 151 115 15 LYS CG C 24.75 0.10 1 152 115 15 LYS CD C 28.43 0.10 1 153 115 15 LYS CE C 42.40 0.10 1 154 115 15 LYS N N 118.33 0.10 1 155 116 16 TYR H H 8.98 0.02 1 156 116 16 TYR HA H 4.82 0.02 1 157 116 16 TYR HB2 H 2.62 0.02 2 158 116 16 TYR HB3 H 2.48 0.02 2 159 116 16 TYR HE1 H 6.81 0.02 3 160 116 16 TYR HE2 H 6.81 0.02 3 161 116 16 TYR C C 176.04 0.10 1 162 116 16 TYR CA C 58.55 0.10 1 163 116 16 TYR CB C 40.63 0.10 1 164 116 16 TYR CE1 C 117.69 0.10 3 165 116 16 TYR CE2 C 117.69 0.10 3 166 116 16 TYR N N 118.08 0.10 1 167 117 17 ARG H H 9.02 0.02 1 168 117 17 ARG HA H 4.69 0.02 1 169 117 17 ARG HB2 H 1.46 0.02 2 170 117 17 ARG HB3 H 0.35 0.02 2 171 117 17 ARG HG2 H 1.37 0.02 2 172 117 17 ARG HG3 H 1.21 0.02 2 173 117 17 ARG HD2 H 3.20 0.02 2 174 117 17 ARG HD3 H 3.20 0.02 2 175 117 17 ARG C C 173.96 0.10 1 176 117 17 ARG CA C 53.96 0.10 1 177 117 17 ARG CB C 36.18 0.10 1 178 117 17 ARG CG C 30.04 0.10 1 179 117 17 ARG CD C 43.25 0.10 1 180 117 17 ARG N N 122.08 0.10 1 181 118 18 TRP H H 7.32 0.02 1 182 118 18 TRP HA H 6.57 0.02 1 183 118 18 TRP HB2 H 3.66 0.02 2 184 118 18 TRP HB3 H 3.22 0.02 2 185 118 18 TRP HD1 H 7.05 0.02 1 186 118 18 TRP HE1 H 10.50 0.02 1 187 118 18 TRP C C 176.23 0.10 1 188 118 18 TRP CA C 54.50 0.10 1 189 118 18 TRP CB C 35.36 0.10 1 190 118 18 TRP N N 109.29 0.10 1 191 118 18 TRP NE1 N 130.09 0.10 1 192 119 19 ARG H H 9.72 0.02 1 193 119 19 ARG HA H 5.68 0.02 1 194 119 19 ARG HB2 H 2.38 0.02 2 195 119 19 ARG HB3 H 2.00 0.02 2 196 119 19 ARG HG2 H 1.73 0.02 2 197 119 19 ARG HG3 H 1.73 0.02 2 198 119 19 ARG HD2 H 2.93 0.02 2 199 119 19 ARG HD3 H 2.93 0.02 2 200 119 19 ARG C C 173.97 0.10 1 201 119 19 ARG CA C 55.79 0.10 1 202 119 19 ARG CB C 34.24 0.10 1 203 119 19 ARG CG C 27.68 0.10 1 204 119 19 ARG CD C 43.43 0.10 1 205 119 19 ARG N N 118.49 0.10 1 206 120 20 LEU H H 9.64 0.02 1 207 120 20 LEU HA H 4.85 0.02 1 208 120 20 LEU HB2 H 1.99 0.02 2 209 120 20 LEU HB3 H 1.13 0.02 2 210 120 20 LEU HG H 1.10 0.02 1 211 120 20 LEU HD1 H -0.54 0.02 2 212 120 20 LEU HD2 H 0.57 0.02 2 213 120 20 LEU C C 173.87 0.10 1 214 120 20 LEU CA C 54.02 0.10 1 215 120 20 LEU CB C 43.61 0.10 1 216 120 20 LEU CG C 26.94 0.10 1 217 120 20 LEU CD1 C 20.10 0.10 1 218 120 20 LEU CD2 C 26.72 0.10 1 219 120 20 LEU N N 126.63 0.10 1 220 121 21 VAL H H 9.13 0.02 1 221 121 21 VAL HA H 4.62 0.02 1 222 121 21 VAL HB H 1.42 0.02 1 223 121 21 VAL HG1 H 0.86 0.08 2 224 121 21 VAL HG2 H 0.86 0.08 2 225 121 21 VAL C C 174.59 0.10 1 226 121 21 VAL CA C 61.02 0.10 1 227 121 21 VAL CB C 34.59 0.10 1 228 121 21 VAL CG1 C 20.72 0.10 1 229 121 21 VAL CG2 C 20.70 0.10 1 230 121 21 VAL N N 128.60 0.10 1 231 122 22 HIS H H 9.05 0.02 1 232 122 22 HIS HA H 4.56 0.02 1 233 122 22 HIS HB2 H 3.33 0.02 2 234 122 22 HIS HB3 H 2.82 0.02 2 235 122 22 HIS HD2 H 6.80 0.02 1 236 122 22 HIS C C 176.80 0.10 1 237 122 22 HIS CA C 57.29 0.10 1 238 122 22 HIS CB C 32.35 0.10 1 239 122 22 HIS N N 126.55 0.10 1 240 123 23 ASP H H 8.48 0.02 1 241 123 23 ASP HA H 4.38 0.02 1 242 123 23 ASP HB2 H 2.61 0.02 2 243 123 23 ASP HB3 H 2.49 0.02 2 244 123 23 ASP CA C 57.78 0.10 1 245 123 23 ASP CB C 41.28 0.10 1 246 123 23 ASP N N 129.56 0.20 1 247 124 24 ASN H H 7.63 0.02 1 248 124 24 ASN HA H 4.54 0.02 1 249 124 24 ASN HB2 H 3.19 0.02 2 250 124 24 ASN HB3 H 2.92 0.02 2 251 124 24 ASN HD21 H 6.20 0.02 2 252 124 24 ASN HD22 H 7.21 0.02 2 253 124 24 ASN C C 177.09 0.10 1 254 124 24 ASN CA C 53.64 0.10 1 255 124 24 ASN CB C 37.43 0.10 1 256 124 24 ASN N N 114.32 0.10 1 257 124 24 ASN ND2 N 107.90 0.10 1 258 125 25 GLY H H 8.59 0.02 1 259 125 25 GLY HA2 H 4.43 0.02 2 260 125 25 GLY HA3 H 3.55 0.02 2 261 125 25 GLY C C 174.51 0.10 1 262 125 25 GLY CA C 44.85 0.10 1 263 125 25 GLY N N 108.85 0.10 1 264 126 26 ASN H H 8.55 0.02 1 265 126 26 ASN HA H 4.58 0.02 1 266 126 26 ASN HB2 H 2.78 0.02 2 267 126 26 ASN HB3 H 2.67 0.02 2 268 126 26 ASN HD21 H 6.84 0.02 2 269 126 26 ASN HD22 H 7.39 0.02 2 270 126 26 ASN C C 174.45 0.10 1 271 126 26 ASN CA C 53.52 0.10 1 272 126 26 ASN CB C 38.42 0.10 1 273 126 26 ASN N N 119.28 0.10 1 274 126 26 ASN ND2 N 111.99 0.10 1 275 127 27 ILE H H 8.88 0.02 1 276 127 27 ILE HA H 4.28 0.02 1 277 127 27 ILE HB H 1.00 0.02 1 278 127 27 ILE HG12 H 1.68 0.02 2 279 127 27 ILE HG13 H 1.26 0.02 2 280 127 27 ILE HG2 H 0.92 0.02 1 281 127 27 ILE HD1 H 0.90 0.02 1 282 127 27 ILE C C 176.87 0.10 1 283 127 27 ILE CA C 61.29 0.10 1 284 127 27 ILE CB C 36.85 0.10 1 285 127 27 ILE CG1 C 28.15 0.10 1 286 127 27 ILE CG2 C 18.80 0.10 1 287 127 27 ILE CD1 C 12.78 0.10 1 288 127 27 ILE N N 122.89 0.10 1 289 128 28 LEU H H 9.16 0.02 1 290 128 28 LEU HA H 4.44 0.02 1 291 128 28 LEU HB2 H 1.55 0.02 2 292 128 28 LEU HB3 H 1.55 0.02 2 293 128 28 LEU HG H 1.78 0.02 1 294 128 28 LEU HD1 H 0.76 0.02 2 295 128 28 LEU HD2 H 0.95 0.02 2 296 128 28 LEU C C 178.28 0.10 1 297 128 28 LEU CA C 56.23 0.10 1 298 128 28 LEU CB C 43.38 0.10 1 299 128 28 LEU CG C 27.34 0.10 1 300 128 28 LEU CD1 C 24.86 0.10 1 301 128 28 LEU CD2 C 22.34 0.10 1 302 128 28 LEU N N 127.66 0.10 1 303 129 29 ALA H H 7.85 0.02 1 304 129 29 ALA HA H 5.07 0.02 1 305 129 29 ALA HB H 1.85 0.02 1 306 129 29 ALA C C 173.22 0.10 1 307 129 29 ALA CA C 51.46 0.10 1 308 129 29 ALA CB C 23.07 0.10 1 309 129 29 ALA N N 116.68 0.10 1 310 130 30 ASP H H 9.08 0.02 1 311 130 30 ASP HA H 5.10 0.02 1 312 130 30 ASP HB2 H 2.67 0.02 2 313 130 30 ASP HB3 H 2.19 0.02 2 314 130 30 ASP C C 175.24 0.10 1 315 130 30 ASP CA C 53.47 0.10 1 316 130 30 ASP CB C 45.90 0.10 1 317 130 30 ASP N N 121.40 0.10 1 318 131 31 SER H H 7.44 0.02 1 319 131 31 SER HA H 3.32 0.02 1 320 131 31 SER HB2 H 4.09 0.02 2 321 131 31 SER HB3 H 4.09 0.02 2 322 131 31 SER C C 175.55 0.10 1 323 131 31 SER CA C 59.73 0.10 1 324 131 31 SER CB C 63.01 0.10 1 325 131 31 SER N N 113.50 0.10 1 326 132 32 GLY H H 7.89 0.02 1 327 132 32 GLY HA2 H 3.73 0.02 2 328 132 32 GLY HA3 H 3.66 0.02 2 329 132 32 GLY C C 172.53 0.10 1 330 132 32 GLY CA C 45.89 0.10 1 331 132 32 GLY N N 108.99 0.10 1 332 133 33 GLU H H 7.21 0.02 1 333 133 33 GLU HA H 4.39 0.02 1 334 133 33 GLU HB2 H 1.83 0.02 2 335 133 33 GLU HB3 H 1.54 0.02 2 336 133 33 GLU HG2 H 1.92 0.02 2 337 133 33 GLU HG3 H 1.68 0.02 2 338 133 33 GLU C C 174.17 0.10 1 339 133 33 GLU CA C 53.95 0.10 1 340 133 33 GLU CB C 33.25 0.10 1 341 133 33 GLU CG C 35.10 0.10 1 342 133 33 GLU N N 114.84 0.10 1 343 134 34 GLY H H 8.14 0.02 1 344 134 34 GLY HA2 H 4.47 0.02 2 345 134 34 GLY HA3 H 2.99 0.02 2 346 134 34 GLY C C 173.16 0.10 1 347 134 34 GLY CA C 43.95 0.10 1 348 134 34 GLY N N 105.79 0.10 1 349 135 35 TYR H H 9.75 0.02 1 350 135 35 TYR HA H 4.85 0.02 1 351 135 35 TYR HB2 H 3.19 0.02 2 352 135 35 TYR HB3 H 2.90 0.02 2 353 135 35 TYR HD1 H 7.24 0.02 3 354 135 35 TYR HD2 H 7.24 0.02 3 355 135 35 TYR HE1 H 6.89 0.02 3 356 135 35 TYR HE2 H 6.89 0.02 3 357 135 35 TYR CA C 57.16 0.10 1 358 135 35 TYR CB C 42.37 0.10 1 359 135 35 TYR CD1 C 133.15 0.10 3 360 135 35 TYR CD2 C 133.15 0.10 3 361 135 35 TYR CE1 C 118.76 0.10 3 362 135 35 TYR CE2 C 118.76 0.10 3 363 135 35 TYR N N 120.52 0.10 1 364 136 36 ALA HA H 4.43 0.02 1 365 136 36 ALA HB H 1.58 0.02 1 366 136 36 ALA C C 177.22 0.10 1 367 136 36 ALA CA C 53.85 0.10 1 368 136 36 ALA CB C 19.65 0.10 1 369 137 37 SER H H 7.39 0.02 1 370 137 37 SER HA H 4.70 0.02 1 371 137 37 SER HB2 H 4.17 0.02 2 372 137 37 SER HB3 H 3.86 0.02 2 373 137 37 SER C C 173.61 0.10 1 374 137 37 SER CA C 55.66 0.10 1 375 137 37 SER CB C 66.90 0.10 1 376 137 37 SER N N 106.86 0.10 1 377 138 38 LYS H H 8.43 0.02 1 378 138 38 LYS HA H 3.07 0.02 1 379 138 38 LYS HB2 H 1.38 0.02 2 380 138 38 LYS HB3 H 1.15 0.02 2 381 138 38 LYS HG2 H 1.04 0.02 2 382 138 38 LYS HG3 H 0.96 0.02 2 383 138 38 LYS HD2 H 1.59 0.02 2 384 138 38 LYS HD3 H 1.59 0.02 2 385 138 38 LYS HE2 H 2.90 0.02 2 386 138 38 LYS HE3 H 2.90 0.02 2 387 138 38 LYS C C 178.28 0.10 1 388 138 38 LYS CA C 59.62 0.10 1 389 138 38 LYS CB C 31.79 0.10 1 390 138 38 LYS CG C 25.25 0.10 1 391 138 38 LYS CD C 29.39 0.10 1 392 138 38 LYS CE C 41.59 0.10 1 393 138 38 LYS N N 124.07 0.10 1 394 139 39 GLN H H 8.41 0.02 1 395 139 39 GLN HA H 3.83 0.02 1 396 139 39 GLN HB2 H 2.04 0.02 2 397 139 39 GLN HB3 H 1.88 0.02 2 398 139 39 GLN HG2 H 2.35 0.02 2 399 139 39 GLN HG3 H 2.35 0.02 2 400 139 39 GLN HE21 H 6.91 0.02 2 401 139 39 GLN HE22 H 7.50 0.02 2 402 139 39 GLN C C 178.95 0.10 1 403 139 39 GLN CA C 59.33 0.10 1 404 139 39 GLN CB C 27.88 0.10 1 405 139 39 GLN CG C 33.71 0.10 1 406 139 39 GLN N N 118.48 0.10 1 407 139 39 GLN NE2 N 112.30 0.10 1 408 140 40 LYS H H 7.70 0.02 1 409 140 40 LYS HA H 3.95 0.02 1 410 140 40 LYS HB2 H 1.90 0.02 2 411 140 40 LYS HB3 H 1.90 0.02 2 412 140 40 LYS HG2 H 1.52 0.02 2 413 140 40 LYS HG3 H 1.47 0.02 2 414 140 40 LYS HD2 H 1.82 0.02 2 415 140 40 LYS HD3 H 1.82 0.02 2 416 140 40 LYS HE2 H 3.01 0.02 2 417 140 40 LYS HE3 H 3.01 0.02 2 418 140 40 LYS C C 179.07 0.10 1 419 140 40 LYS CA C 58.82 0.10 1 420 140 40 LYS CB C 32.36 0.10 1 421 140 40 LYS CG C 26.28 0.10 1 422 140 40 LYS CD C 28.96 0.10 1 423 140 40 LYS CE C 42.18 0.10 1 424 140 40 LYS N N 119.20 0.10 1 425 141 41 ALA H H 7.39 0.02 1 426 141 41 ALA HA H 3.05 0.02 1 427 141 41 ALA HB H 1.35 0.02 1 428 141 41 ALA C C 179.41 0.10 1 429 141 41 ALA CA C 54.91 0.10 1 430 141 41 ALA CB C 17.86 0.10 1 431 141 41 ALA N N 123.26 0.10 1 432 142 42 LYS H H 8.09 0.02 1 433 142 42 LYS HA H 3.62 0.02 1 434 142 42 LYS HB2 H 1.84 0.02 2 435 142 42 LYS HB3 H 1.78 0.02 2 436 142 42 LYS HG2 H 1.57 0.02 2 437 142 42 LYS HG3 H 1.10 0.02 2 438 142 42 LYS HD2 H 1.59 0.02 2 439 142 42 LYS HD3 H 1.59 0.02 2 440 142 42 LYS HE2 H 2.76 0.02 2 441 142 42 LYS HE3 H 2.63 0.02 2 442 142 42 LYS C C 179.22 0.10 1 443 142 42 LYS CA C 60.14 0.10 1 444 142 42 LYS CB C 31.56 0.10 1 445 142 42 LYS CG C 27.23 0.10 1 446 142 42 LYS CD C 29.35 0.10 1 447 142 42 LYS CE C 41.83 0.10 1 448 142 42 LYS N N 116.99 0.10 1 449 143 43 GLN H H 7.99 0.02 1 450 143 43 GLN HA H 3.97 0.02 1 451 143 43 GLN HB2 H 2.10 0.02 2 452 143 43 GLN HB3 H 2.10 0.02 2 453 143 43 GLN HG2 H 2.48 0.02 2 454 143 43 GLN HG3 H 2.35 0.02 2 455 143 43 GLN HE21 H 6.85 0.02 2 456 143 43 GLN HE22 H 7.47 0.02 2 457 143 43 GLN C C 179.31 0.10 1 458 143 43 GLN CA C 58.87 0.10 1 459 143 43 GLN CB C 28.04 0.10 1 460 143 43 GLN CG C 34.26 0.10 1 461 143 43 GLN N N 120.91 0.10 1 462 143 43 GLN NE2 N 111.79 0.10 1 463 144 44 GLY H H 7.70 0.02 1 464 144 44 GLY HA2 H 3.93 0.02 2 465 144 44 GLY HA3 H 3.93 0.02 2 466 144 44 GLY C C 176.04 0.10 1 467 144 44 GLY CA C 47.51 0.10 1 468 144 44 GLY N N 110.58 0.10 1 469 145 45 ILE H H 7.42 0.02 1 470 145 45 ILE HA H 2.29 0.02 1 471 145 45 ILE HB H 1.38 0.02 1 472 145 45 ILE HG12 H 0.72 0.02 2 473 145 45 ILE HG13 H 0.72 0.02 2 474 145 45 ILE HG2 H -0.78 0.02 1 475 145 45 ILE HD1 H 0.34 0.02 1 476 145 45 ILE C C 177.78 0.10 1 477 145 45 ILE CA C 65.54 0.10 1 478 145 45 ILE CB C 36.80 0.10 1 479 145 45 ILE CG1 C 27.65 0.10 1 480 145 45 ILE CG2 C 14.20 0.10 1 481 145 45 ILE CD1 C 15.26 0.10 1 482 145 45 ILE N N 123.26 0.10 1 483 146 46 GLU H H 7.79 0.02 1 484 146 46 GLU HA H 3.68 0.02 1 485 146 46 GLU HB2 H 2.00 0.02 2 486 146 46 GLU HB3 H 2.00 0.02 2 487 146 46 GLU HG2 H 2.28 0.02 2 488 146 46 GLU HG3 H 2.19 0.02 2 489 146 46 GLU C C 178.68 0.10 1 490 146 46 GLU CA C 59.43 0.10 1 491 146 46 GLU CB C 28.85 0.10 1 492 146 46 GLU CG C 35.95 0.10 1 493 146 46 GLU N N 118.97 0.10 1 494 147 47 SER H H 7.90 0.02 1 495 147 47 SER HA H 4.17 0.02 1 496 147 47 SER HB2 H 4.09 0.02 2 497 147 47 SER HB3 H 4.01 0.02 2 498 147 47 SER C C 178.20 0.10 1 499 147 47 SER CA C 61.88 0.10 1 500 147 47 SER CB C 63.12 0.10 1 501 147 47 SER N N 113.96 0.10 1 502 148 48 VAL H H 7.92 0.02 1 503 148 48 VAL HA H 3.35 0.02 1 504 148 48 VAL HB H 2.17 0.02 1 505 148 48 VAL HG1 H 1.26 0.02 2 506 148 48 VAL HG2 H 0.74 0.02 2 507 148 48 VAL C C 177.36 0.10 1 508 148 48 VAL CA C 67.86 0.10 1 509 148 48 VAL CB C 31.06 0.10 1 510 148 48 VAL CG1 C 24.97 0.10 1 511 148 48 VAL CG2 C 20.58 0.10 1 512 148 48 VAL N N 123.05 0.10 1 513 149 49 LYS H H 8.41 0.02 1 514 149 49 LYS HA H 3.40 0.02 1 515 149 49 LYS HB2 H 1.94 0.02 2 516 149 49 LYS HB3 H 1.74 0.02 2 517 149 49 LYS HG2 H 1.40 0.02 2 518 149 49 LYS HG3 H 1.40 0.02 2 519 149 49 LYS HD2 H 1.95 0.02 2 520 149 49 LYS HD3 H 1.95 0.02 2 521 149 49 LYS HE2 H 3.05 0.02 2 522 149 49 LYS HE3 H 3.05 0.02 2 523 149 49 LYS C C 177.77 0.10 1 524 149 49 LYS CA C 61.94 0.10 1 525 149 49 LYS CB C 33.23 0.10 1 526 149 49 LYS CG C 25.94 0.10 1 527 149 49 LYS CD C 30.38 0.10 1 528 149 49 LYS CE C 42.23 0.10 1 529 149 49 LYS N N 118.72 0.10 1 530 150 50 ARG H H 7.93 0.02 1 531 150 50 ARG HA H 4.17 0.02 1 532 150 50 ARG HB2 H 1.85 0.02 2 533 150 50 ARG HB3 H 1.79 0.02 2 534 150 50 ARG HG2 H 1.73 0.02 2 535 150 50 ARG HG3 H 1.62 0.02 2 536 150 50 ARG HD2 H 3.19 0.02 2 537 150 50 ARG HD3 H 3.19 0.02 2 538 150 50 ARG C C 178.54 0.10 1 539 150 50 ARG CA C 57.98 0.10 1 540 150 50 ARG CB C 31.50 0.10 1 541 150 50 ARG CG C 27.59 0.10 1 542 150 50 ARG CD C 43.27 0.10 1 543 150 50 ARG N N 112.25 0.10 1 544 151 51 ASN H H 8.05 0.02 1 545 151 51 ASN HA H 4.88 0.02 1 546 151 51 ASN HB2 H 2.53 0.02 2 547 151 51 ASN HB3 H 2.35 0.02 2 548 151 51 ASN HD21 H 7.55 0.02 2 549 151 51 ASN HD22 H 7.63 0.02 2 550 151 51 ASN C C 175.71 0.10 1 551 151 51 ASN CA C 55.05 0.10 1 552 151 51 ASN CB C 40.98 0.10 1 553 151 51 ASN N N 113.08 0.10 1 554 151 51 ASN ND2 N 115.83 0.10 1 555 152 52 ALA H H 8.71 0.02 1 556 152 52 ALA HA H 4.14 0.02 1 557 152 52 ALA HB H 1.39 0.02 1 558 152 52 ALA CA C 56.53 0.10 1 559 152 52 ALA CB C 16.59 0.10 1 560 152 52 ALA N N 120.30 0.10 1 561 153 53 PRO HA H 4.01 0.02 1 562 153 53 PRO HB2 H 2.41 0.02 2 563 153 53 PRO HB3 H 2.41 0.02 2 564 153 53 PRO HG2 H 2.29 0.02 2 565 153 53 PRO HG3 H 1.86 0.02 2 566 153 53 PRO HD2 H 3.64 0.02 2 567 153 53 PRO HD3 H 3.40 0.02 2 568 153 53 PRO C C 177.17 0.10 1 569 153 53 PRO CA C 68.06 0.10 1 570 153 53 PRO CB C 31.24 0.10 1 571 153 53 PRO CG C 29.23 0.10 1 572 153 53 PRO CD C 51.25 0.10 1 573 154 54 ASP H H 7.86 0.02 1 574 154 54 ASP HA H 4.94 0.02 1 575 154 54 ASP HB2 H 2.89 0.02 2 576 154 54 ASP HB3 H 2.57 0.02 2 577 154 54 ASP C C 175.94 0.10 1 578 154 54 ASP CA C 53.40 0.10 1 579 154 54 ASP CB C 41.42 0.10 1 580 154 54 ASP N N 112.87 0.10 1 581 155 55 ALA H H 7.35 0.02 1 582 155 55 ALA HA H 4.36 0.02 1 583 155 55 ALA HB H 1.40 0.02 1 584 155 55 ALA C C 177.79 0.10 1 585 155 55 ALA CA C 53.30 0.10 1 586 155 55 ALA CB C 20.49 0.10 1 587 155 55 ALA N N 123.52 0.10 1 588 156 56 ASP H H 8.87 0.02 1 589 156 56 ASP HA H 4.75 0.02 1 590 156 56 ASP HB2 H 2.75 0.02 2 591 156 56 ASP HB3 H 2.75 0.02 2 592 156 56 ASP C C 174.64 0.10 1 593 156 56 ASP CA C 53.94 0.10 1 594 156 56 ASP CB C 41.76 0.10 1 595 156 56 ASP N N 123.30 0.10 1 596 157 57 VAL H H 8.59 0.02 1 597 157 57 VAL HA H 4.78 0.02 1 598 157 57 VAL HB H 2.05 0.02 1 599 157 57 VAL HG1 H 0.89 0.02 2 600 157 57 VAL HG2 H 0.79 0.02 2 601 157 57 VAL C C 175.49 0.10 1 602 157 57 VAL CA C 62.39 0.10 1 603 157 57 VAL CB C 33.19 0.10 1 604 157 57 VAL CG1 C 21.45 0.10 1 605 157 57 VAL CG2 C 21.67 0.10 1 606 157 57 VAL N N 120.07 0.10 1 607 158 58 ILE H H 9.16 0.02 1 608 158 58 ILE HA H 4.70 0.02 1 609 158 58 ILE HB H 2.11 0.02 1 610 158 58 ILE HG12 H 1.46 0.02 2 611 158 58 ILE HG13 H 1.30 0.02 2 612 158 58 ILE HG2 H 0.94 0.02 1 613 158 58 ILE HD1 H 0.75 0.02 1 614 158 58 ILE C C 175.00 0.10 1 615 158 58 ILE CA C 59.58 0.10 1 616 158 58 ILE CB C 40.97 0.10 1 617 158 58 ILE CG1 C 27.13 0.10 1 618 158 58 ILE CG2 C 17.60 0.10 1 619 158 58 ILE CD1 C 13.08 0.10 1 620 158 58 ILE N N 126.71 0.10 1 621 159 59 GLU H H 8.63 0.02 1 622 159 59 GLU HA H 4.88 0.02 1 623 159 59 GLU HB2 H 2.21 0.02 2 624 159 59 GLU HB3 H 2.00 0.02 2 625 159 59 GLU HG2 H 2.35 0.02 2 626 159 59 GLU HG3 H 2.13 0.02 2 627 159 59 GLU C C 175.17 0.10 1 628 159 59 GLU CA C 55.95 0.10 1 629 159 59 GLU CB C 30.73 0.10 1 630 159 59 GLU CG C 36.83 0.10 1 631 159 59 GLU N N 123.62 0.10 1 632 160 60 ALA H H 8.69 0.02 1 633 160 60 ALA HA H 4.34 0.02 1 634 160 60 ALA HB H 1.42 0.02 1 635 160 60 ALA CA C 53.48 0.10 1 636 160 60 ALA CB C 21.22 0.10 1 637 160 60 ALA N N 133.35 0.10 1 stop_ save_