data_17263 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the small archaeal modifier protein 1 (SAMP1) from Methanosarcina acetivorans. ; _BMRB_accession_number 17263 _BMRB_flat_file_name bmr17263.str _Entry_type original _Submission_date 2010-10-24 _Accession_date 2010-10-24 _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 Damberger Fred F. . 2 Ranjan Namit . . 3 Sutter Markus . . 4 Allain Frederic . . 5 Weber-Ban Eilika . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count H_exchange_protection_factors 1 H_exch_rates 1 assigned_chemical_shifts 1 heteronucl_NOE 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 588 "13C chemical shifts" 443 "15N chemical shifts" 101 "H exchange rates" 41 "H exchange protection factors" 41 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2013-07-29 update author 'update protection factors' 2011-02-03 update author 'update H Exchange table' 2011-01-18 original author 'original release' stop_ _Original_release_date 2015-11-03 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Solution structure and activation mechanism of ubiquitin-like small archaeal modifier proteins. ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 21112336 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Ranjan Namit . . 2 Damberger Fred F. . 3 Sutter Markus . . 4 Allain 'Frederic H-T' . . 5 Weber-Ban Eilika . . stop_ _Journal_abbreviation 'J. Mol. Biol.' _Journal_name_full 'Journal of molecular biology' _Journal_volume 405 _Journal_issue 4 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 1040 _Page_last 1055 _Year 2011 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Small archaeal modifier protein 1 from Methanosarcina acetivorans' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Small archaeal modifier protein 1 from Methanosarcina acetivorans' $SAMP1 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_SAMP1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'Small archaeal modifier protein 1 from Methanosarcina acetivorans' _Molecular_mass 10708.505 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 99 _Mol_residue_sequence ; GHMAEVKVKLFANLREAAGT PELPLSGEKVIDVLLSLTDK YPALKYVIFEKGDEKSEILI LCGSINILINGNNIRHLEGL ETLLKDSDEIGILPPVSGG ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -2 GLY 2 -1 HIS 3 1 MET 4 2 ALA 5 3 GLU 6 4 VAL 7 5 LYS 8 6 VAL 9 7 LYS 10 8 LEU 11 9 PHE 12 10 ALA 13 11 ASN 14 12 LEU 15 13 ARG 16 14 GLU 17 15 ALA 18 16 ALA 19 17 GLY 20 18 THR 21 19 PRO 22 20 GLU 23 21 LEU 24 22 PRO 25 23 LEU 26 24 SER 27 25 GLY 28 26 GLU 29 27 LYS 30 28 VAL 31 29 ILE 32 30 ASP 33 31 VAL 34 32 LEU 35 33 LEU 36 34 SER 37 35 LEU 38 36 THR 39 37 ASP 40 38 LYS 41 39 TYR 42 40 PRO 43 41 ALA 44 42 LEU 45 43 LYS 46 44 TYR 47 45 VAL 48 46 ILE 49 47 PHE 50 48 GLU 51 49 LYS 52 50 GLY 53 51 ASP 54 52 GLU 55 53 LYS 56 54 SER 57 55 GLU 58 56 ILE 59 57 LEU 60 58 ILE 61 59 LEU 62 60 CYS 63 61 GLY 64 62 SER 65 63 ILE 66 64 ASN 67 65 ILE 68 66 LEU 69 67 ILE 70 68 ASN 71 69 GLY 72 70 ASN 73 71 ASN 74 72 ILE 75 73 ARG 76 74 HIS 77 75 LEU 78 76 GLU 79 77 GLY 80 78 LEU 81 79 GLU 82 80 THR 83 81 LEU 84 82 LEU 85 83 LYS 86 84 ASP 87 85 SER 88 86 ASP 89 87 GLU 90 88 ILE 91 89 GLY 92 90 ILE 93 91 LEU 94 92 PRO 95 93 PRO 96 94 VAL 97 95 SER 98 96 GLY 99 97 GLY 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 $SAMP1 'Methanosarcina acetivorans' 2214 Archaea . Methanosarcina acetivorans 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 _Details $SAMP1 'recombinant technology' . Escherichia coli BL21(DE3) 'pROEX (Invitrogen)' 'modified to replace Ehe1 restriction site by an Nde1 site.' stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $SAMP1 1 mM '[U-99% 13C; U-99% 15N]' 'sodium chloride' 150 mM 'natural abundance' 'sodium phosphate' 20 mM 'natural abundance' EDTA 0.1 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $SAMP1 1 mM '[U-99% 15N]' 'sodium chloride' 150 mM 'natural abundance' 'sodium phosphate' 20 mM 'natural abundance' EDTA 0.1 mM 'natural abundance' D2O 100 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_AMBER _Saveframe_category software _Name AMBER _Version 8 loop_ _Vendor _Address _Electronic_address 'Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollm' . . stop_ loop_ _Task refinement stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version 3 loop_ _Vendor _Address _Electronic_address 'CYANA (Peter Guntert)' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_UNIO _Saveframe_category software _Name UNIO _Version 10 loop_ _Vendor _Address _Electronic_address '(Torsten Herrmann)' . . stop_ loop_ _Task 'peak picking' 'structure solution' stop_ _Details . save_ save_CARA _Saveframe_category software _Name CARA _Version 1.8 loop_ _Vendor _Address _Electronic_address 'Keller and Wuthrich' . www.nmr.ch stop_ loop_ _Task 'chemical shift assignment' 'data analysis' stop_ _Details . save_ save_GAPRO _Saveframe_category software _Name GAPRO _Version 0.9.8 loop_ _Vendor _Address _Electronic_address 'Sebastian Hiller & Gerhard Wider' . www.apsy.ch stop_ loop_ _Task 'chemical shift assignment' 'peak picking' stop_ _Details 'ALASCA within GAPRO was used for the analysis of a 5D APSY-HC(CC TOCSY)CONH.' save_ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version 2.1 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task processing stop_ _Details . save_ save_Molmol _Saveframe_category software _Name Molmol _Version 2.2K loop_ _Vendor _Address _Electronic_address 'Koradi, Billeter and Wuthrich' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_MATCH _Saveframe_category software _Name MATCH _Version . loop_ _Vendor _Address _Electronic_address 'Herrmann and Wuthrich' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 900 _Details 'equipped with a triple-channel probehead and actively shielded gradients.' save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details 'equipped with a triple-channel probehead and actively shielded gradients.' save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 500 _Details 'equipped with a triple-channel probehead and actively shielded gradients.' save_ save_spectrometer_4 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _Details 'equipped with a triple-channel probehead and actively shielded gradients.' save_ ############################# # NMR applied experiments # ############################# save_3D_1H-15N_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ save_4D_APSY-HACANH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '4D APSY-HACANH' _Sample_label $sample_1 save_ save_5D_APSY-CBCACONH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '5D APSY-CBCACONH' _Sample_label $sample_1 save_ save_5D_APSY-HACACONH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '5D APSY-HACACONH' _Sample_label $sample_1 save_ save_5D_APSY-HC(CC-TOCSY)CONH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '5D APSY-HC(CC-TOCSY)CONH' _Sample_label $sample_1 save_ save_4D_APSY-HCCH-COSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '4D APSY-HCCH-COSY' _Sample_label $sample_1 save_ save_4D_aromatic_APSY-HCCH-COSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '4D aromatic APSY-HCCH-COSY' _Sample_label $sample_1 save_ save_4D_APSY-HBCB(CG)CDHD_10 _Saveframe_category NMR_applied_experiment _Experiment_name '4D APSY-HBCB(CG)CDHD' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_11 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_2 save_ save_2D_15N{1H}-NOE-[15N,1H]-HSQC_12 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 15N{1H}-NOE-[15N,1H]-HSQC' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.1 0.02 M pH 6.8 0.1 pH pressure 1 . atm temperature 298 0.1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $CARA $GAPRO stop_ loop_ _Experiment_label '3D 1H-15N NOESY' '3D 1H-13C NOESY' '4D APSY-HACANH' '5D APSY-CBCACONH' '5D APSY-HACACONH' '5D APSY-HC(CC-TOCSY)CONH' '4D APSY-HCCH-COSY' '4D aromatic APSY-HCCH-COSY' '4D APSY-HBCB(CG)CDHD' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'Small archaeal modifier protein 1 from Methanosarcina acetivorans' _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 -1 2 HIS HA H 4.638 0.020 1 2 -1 2 HIS HB2 H 3.130 0.020 1 3 -1 2 HIS HB3 H 3.130 0.020 1 4 -1 2 HIS HD2 H 7.084 0.020 1 5 -1 2 HIS HE1 H 8.227 0.020 1 6 -1 2 HIS C C 174.178 0.3 1 7 -1 2 HIS CA C 56.059 0.3 1 8 -1 2 HIS CB C 30.446 0.3 1 9 -1 2 HIS CD2 C 119.842 0.3 1 10 -1 2 HIS CE1 C 137.721 0.3 1 11 -1 2 HIS ND1 N 202.300 0.3 1 12 -1 2 HIS NE2 N 177.036 0.3 1 13 1 3 MET H H 8.244 0.020 1 14 1 3 MET HA H 4.075 0.020 1 15 1 3 MET HB2 H 1.880 0.020 1 16 1 3 MET HB3 H 1.621 0.020 1 17 1 3 MET HE H 2.029 0.020 1 18 1 3 MET HG2 H 2.456 0.020 1 19 1 3 MET HG3 H 2.373 0.020 1 20 1 3 MET C C 173.917 0.3 1 21 1 3 MET CA C 54.882 0.3 1 22 1 3 MET CB C 33.300 0.3 1 23 1 3 MET CE C 17.195 0.3 1 24 1 3 MET CG C 31.958 0.3 1 25 1 3 MET N N 123.248 0.3 1 26 2 4 ALA H H 7.761 0.020 1 27 2 4 ALA HA H 4.353 0.020 1 28 2 4 ALA HB H 1.112 0.020 1 29 2 4 ALA C C 176.019 0.3 1 30 2 4 ALA CA C 51.676 0.3 1 31 2 4 ALA CB C 19.801 0.3 1 32 2 4 ALA N N 128.115 0.3 1 33 3 5 GLU H H 8.584 0.020 1 34 3 5 GLU HA H 4.637 0.020 1 35 3 5 GLU HB2 H 1.931 0.020 1 36 3 5 GLU HB3 H 2.066 0.020 1 37 3 5 GLU HG2 H 2.139 0.020 1 38 3 5 GLU HG3 H 2.304 0.020 1 39 3 5 GLU C C 175.949 0.3 1 40 3 5 GLU CA C 56.075 0.3 1 41 3 5 GLU CB C 29.856 0.3 1 42 3 5 GLU CG C 36.268 0.3 1 43 3 5 GLU N N 121.680 0.3 1 44 4 6 VAL H H 8.821 0.020 1 45 4 6 VAL HA H 4.979 0.020 1 46 4 6 VAL HB H 2.355 0.020 1 47 4 6 VAL HG1 H 0.926 0.020 1 48 4 6 VAL HG2 H 0.588 0.020 1 49 4 6 VAL C C 174.599 0.3 1 50 4 6 VAL CA C 59.010 0.3 1 51 4 6 VAL CB C 34.420 0.3 1 52 4 6 VAL CG1 C 18.750 0.3 1 53 4 6 VAL CG2 C 23.369 0.3 1 54 4 6 VAL N N 118.405 0.3 1 55 5 7 LYS H H 8.358 0.020 1 56 5 7 LYS HA H 4.781 0.020 1 57 5 7 LYS HB2 H 1.624 0.020 1 58 5 7 LYS HB3 H 1.723 0.020 1 59 5 7 LYS HD2 H 1.529 0.020 1 60 5 7 LYS HD3 H 1.605 0.020 1 61 5 7 LYS HE2 H 2.857 0.020 1 62 5 7 LYS HE3 H 2.912 0.020 1 63 5 7 LYS HG2 H 1.326 0.020 1 64 5 7 LYS HG3 H 1.245 0.020 1 65 5 7 LYS C C 174.714 0.3 1 66 5 7 LYS CA C 54.991 0.3 1 67 5 7 LYS CB C 34.863 0.3 1 68 5 7 LYS CD C 28.957 0.3 1 69 5 7 LYS CE C 41.657 0.3 1 70 5 7 LYS CG C 24.578 0.3 1 71 5 7 LYS N N 120.618 0.3 1 72 6 8 VAL H H 8.967 0.020 1 73 6 8 VAL HA H 4.868 0.020 1 74 6 8 VAL HB H 2.083 0.020 1 75 6 8 VAL HG1 H 0.737 0.020 1 76 6 8 VAL HG2 H 0.831 0.020 1 77 6 8 VAL C C 174.263 0.3 1 78 6 8 VAL CA C 61.101 0.3 1 79 6 8 VAL CB C 32.395 0.3 1 80 6 8 VAL CG1 C 21.755 0.3 1 81 6 8 VAL CG2 C 22.969 0.3 1 82 6 8 VAL N N 125.158 0.3 1 83 7 9 LYS H H 9.457 0.020 1 84 7 9 LYS HA H 4.822 0.020 1 85 7 9 LYS HB2 H 1.618 0.020 1 86 7 9 LYS HB3 H 1.618 0.020 1 87 7 9 LYS HD2 H 1.575 0.020 1 88 7 9 LYS HD3 H 1.575 0.020 1 89 7 9 LYS HE2 H 2.737 0.020 1 90 7 9 LYS HE3 H 2.780 0.020 1 91 7 9 LYS HG2 H 1.104 0.020 1 92 7 9 LYS HG3 H 1.257 0.020 1 93 7 9 LYS C C 174.000 0.3 1 94 7 9 LYS CA C 54.820 0.3 1 95 7 9 LYS CB C 34.781 0.3 1 96 7 9 LYS CD C 29.382 0.3 1 97 7 9 LYS CE C 42.100 0.3 1 98 7 9 LYS CG C 25.446 0.3 1 99 7 9 LYS N N 127.107 0.3 1 100 8 10 LEU H H 7.978 0.020 1 101 8 10 LEU HA H 4.618 0.020 1 102 8 10 LEU HB2 H 0.937 0.020 1 103 8 10 LEU HB3 H 1.618 0.020 1 104 8 10 LEU HD1 H 0.589 0.020 2 105 8 10 LEU HD2 H 0.637 0.020 2 106 8 10 LEU HG H 1.320 0.020 1 107 8 10 LEU C C 175.655 0.3 1 108 8 10 LEU CA C 53.057 0.3 1 109 8 10 LEU CB C 42.989 0.3 1 110 8 10 LEU CD1 C 25.700 0.3 1 111 8 10 LEU CD2 C 24.390 0.3 1 112 8 10 LEU CG C 26.849 0.3 1 113 8 10 LEU N N 122.202 0.3 1 114 9 11 PHE H H 7.297 0.020 1 115 9 11 PHE HA H 4.706 0.020 1 116 9 11 PHE HB2 H 3.074 0.020 1 117 9 11 PHE HB3 H 3.278 0.020 1 118 9 11 PHE HD1 H 7.347 0.020 1 119 9 11 PHE HD2 H 7.347 0.020 1 120 9 11 PHE HE1 H 7.217 0.020 1 121 9 11 PHE HE2 H 7.217 0.020 1 122 9 11 PHE HZ H 7.251 0.020 1 123 9 11 PHE C C 175.159 0.3 1 124 9 11 PHE CA C 57.392 0.3 1 125 9 11 PHE CB C 42.013 0.3 1 126 9 11 PHE CD1 C 132.297 0.3 1 127 9 11 PHE CD2 C 132.297 0.3 1 128 9 11 PHE CE1 C 131.029 0.3 1 129 9 11 PHE CE2 C 131.029 0.3 1 130 9 11 PHE CZ C 129.679 0.3 1 131 9 11 PHE N N 118.463 0.3 1 132 10 12 ALA H H 9.297 0.020 1 133 10 12 ALA HA H 4.064 0.020 1 134 10 12 ALA HB H 1.609 0.020 1 135 10 12 ALA C C 177.768 0.3 1 136 10 12 ALA CA C 53.332 0.3 1 137 10 12 ALA CB C 17.796 0.3 1 138 10 12 ALA N N 123.374 0.3 1 139 11 13 ASN H H 8.756 0.020 1 140 11 13 ASN HA H 4.524 0.020 1 141 11 13 ASN HB2 H 2.889 0.020 1 142 11 13 ASN HB3 H 2.889 0.020 1 143 11 13 ASN HD21 H 6.881 0.020 1 144 11 13 ASN HD22 H 7.786 0.020 1 145 11 13 ASN C C 177.258 0.3 1 146 11 13 ASN CA C 55.900 0.3 1 147 11 13 ASN CB C 36.844 0.3 1 148 11 13 ASN N N 118.349 0.3 1 149 11 13 ASN ND2 N 113.284 0.3 1 150 12 14 LEU H H 8.088 0.020 1 151 12 14 LEU HA H 4.089 0.020 1 152 12 14 LEU HB2 H 1.407 0.020 1 153 12 14 LEU HB3 H 2.056 0.020 1 154 12 14 LEU HD1 H 0.888 0.020 2 155 12 14 LEU HD2 H 0.814 0.020 2 156 12 14 LEU HG H 1.711 0.020 1 157 12 14 LEU C C 177.473 0.3 1 158 12 14 LEU CA C 57.971 0.3 1 159 12 14 LEU CB C 41.261 0.3 1 160 12 14 LEU CD1 C 26.350 0.3 1 161 12 14 LEU CD2 C 24.238 0.3 1 162 12 14 LEU CG C 28.169 0.3 1 163 12 14 LEU N N 119.749 0.3 1 164 13 15 ARG H H 6.752 0.020 1 165 13 15 ARG HA H 3.869 0.020 1 166 13 15 ARG HB2 H 1.566 0.020 1 167 13 15 ARG HB3 H 1.780 0.020 1 168 13 15 ARG HD2 H 3.132 0.020 1 169 13 15 ARG HD3 H 3.087 0.020 1 170 13 15 ARG HG2 H 1.285 0.020 1 171 13 15 ARG HG3 H 1.392 0.020 1 172 13 15 ARG C C 178.600 0.3 1 173 13 15 ARG CA C 58.076 0.3 1 174 13 15 ARG CB C 29.301 0.3 1 175 13 15 ARG CD C 43.651 0.3 1 176 13 15 ARG CG C 26.197 0.3 1 177 13 15 ARG N N 118.209 0.3 1 178 14 16 GLU H H 7.432 0.020 1 179 14 16 GLU HA H 3.938 0.020 1 180 14 16 GLU HB2 H 1.989 0.020 1 181 14 16 GLU HB3 H 2.040 0.020 1 182 14 16 GLU HG2 H 2.251 0.020 1 183 14 16 GLU HG3 H 2.221 0.020 1 184 14 16 GLU C C 178.114 0.3 1 185 14 16 GLU CA C 58.487 0.3 1 186 14 16 GLU CB C 29.386 0.3 1 187 14 16 GLU CG C 36.204 0.3 1 188 14 16 GLU N N 118.029 0.3 1 189 15 17 ALA H H 7.538 0.020 1 190 15 17 ALA HA H 4.099 0.020 1 191 15 17 ALA HB H 1.360 0.020 1 192 15 17 ALA C C 178.650 0.3 1 193 15 17 ALA CA C 54.228 0.3 1 194 15 17 ALA CB C 18.578 0.3 1 195 15 17 ALA N N 119.933 0.3 1 196 16 18 ALA H H 7.414 0.020 1 197 16 18 ALA HA H 3.828 0.020 1 198 16 18 ALA HB H 0.787 0.020 1 199 16 18 ALA C C 177.399 0.3 1 200 16 18 ALA CA C 52.683 0.3 1 201 16 18 ALA CB C 19.801 0.3 1 202 16 18 ALA N N 116.544 0.3 1 203 17 19 GLY H H 7.833 0.020 1 204 17 19 GLY HA2 H 4.032 0.020 1 205 17 19 GLY HA3 H 3.722 0.020 1 206 17 19 GLY C C 173.304 0.3 1 207 17 19 GLY CA C 45.369 0.3 1 208 17 19 GLY N N 105.080 0.3 1 209 18 20 THR H H 7.123 0.020 1 210 18 20 THR HA H 4.956 0.020 1 211 18 20 THR HB H 4.183 0.020 1 212 18 20 THR HG2 H 0.893 0.020 1 213 18 20 THR CA C 57.022 0.3 1 214 18 20 THR CB C 70.398 0.3 1 215 18 20 THR CG2 C 19.465 0.3 1 216 18 20 THR N N 113.456 0.3 1 217 19 21 PRO HA H 4.455 0.020 1 218 19 21 PRO HB2 H 2.014 0.020 1 219 19 21 PRO HB3 H 2.014 0.020 1 220 19 21 PRO HD2 H 4.070 0.020 1 221 19 21 PRO HD3 H 3.648 0.020 1 222 19 21 PRO HG2 H 1.976 0.020 1 223 19 21 PRO HG3 H 1.976 0.020 1 224 19 21 PRO C C 176.313 0.3 1 225 19 21 PRO CA C 63.071 0.3 1 226 19 21 PRO CB C 32.555 0.3 1 227 19 21 PRO CD C 51.190 0.3 1 228 19 21 PRO CG C 26.662 0.3 1 229 20 22 GLU H H 7.424 0.020 1 230 20 22 GLU HA H 5.510 0.020 1 231 20 22 GLU HB2 H 1.924 0.020 1 232 20 22 GLU HB3 H 1.804 0.020 1 233 20 22 GLU HG2 H 1.962 0.020 1 234 20 22 GLU HG3 H 1.926 0.020 1 235 20 22 GLU C C 174.000 0.3 1 236 20 22 GLU CA C 54.731 0.3 1 237 20 22 GLU CB C 33.204 0.3 1 238 20 22 GLU CG C 35.921 0.3 1 239 20 22 GLU N N 116.808 0.3 1 240 21 23 LEU H H 9.023 0.020 1 241 21 23 LEU HA H 4.977 0.020 1 242 21 23 LEU HB2 H 1.651 0.020 1 243 21 23 LEU HB3 H 1.705 0.020 1 244 21 23 LEU HD1 H 0.808 0.020 2 245 21 23 LEU HD2 H 0.906 0.020 2 246 21 23 LEU HG H 1.590 0.020 1 247 21 23 LEU CA C 53.714 0.3 1 248 21 23 LEU CB C 42.819 0.3 1 249 21 23 LEU CD1 C 25.673 0.3 1 250 21 23 LEU CD2 C 27.191 0.3 1 251 21 23 LEU CG C 26.884 0.3 1 252 21 23 LEU N N 122.659 0.3 1 253 22 24 PRO HA H 5.380 0.020 1 254 22 24 PRO HB2 H 2.049 0.020 1 255 22 24 PRO HB3 H 2.129 0.020 1 256 22 24 PRO HD2 H 3.796 0.020 1 257 22 24 PRO HD3 H 3.796 0.020 1 258 22 24 PRO HG2 H 2.081 0.020 1 259 22 24 PRO HG3 H 2.270 0.020 1 260 22 24 PRO C C 176.787 0.3 1 261 22 24 PRO CA C 61.413 0.3 1 262 22 24 PRO CB C 31.733 0.3 1 263 22 24 PRO CD C 50.348 0.3 1 264 22 24 PRO CG C 26.849 0.3 1 265 23 25 LEU H H 8.386 0.020 1 266 23 25 LEU HA H 4.732 0.020 1 267 23 25 LEU HB2 H 1.327 0.020 1 268 23 25 LEU HB3 H 1.538 0.020 1 269 23 25 LEU HD1 H 0.899 0.020 1 270 23 25 LEU HD2 H 1.043 0.020 1 271 23 25 LEU HG H 1.645 0.020 1 272 23 25 LEU C C 174.479 0.3 1 273 23 25 LEU CA C 54.070 0.3 1 274 23 25 LEU CB C 48.794 0.3 1 275 23 25 LEU CD1 C 27.076 0.3 1 276 23 25 LEU CD2 C 23.661 0.3 1 277 23 25 LEU CG C 27.647 0.3 1 278 23 25 LEU N N 123.382 0.3 1 279 24 26 SER H H 8.019 0.020 1 280 24 26 SER HA H 5.926 0.020 1 281 24 26 SER HB2 H 3.527 0.020 1 282 24 26 SER HB3 H 3.642 0.020 1 283 24 26 SER C C 174.088 0.3 1 284 24 26 SER CA C 56.250 0.3 1 285 24 26 SER CB C 66.217 0.3 1 286 24 26 SER N N 112.539 0.3 1 287 25 27 GLY H H 8.593 0.020 1 288 25 27 GLY HA2 H 4.144 0.020 1 289 25 27 GLY HA3 H 3.817 0.020 1 290 25 27 GLY C C 170.456 0.3 1 291 25 27 GLY CA C 46.102 0.3 1 292 25 27 GLY N N 107.624 0.3 1 293 26 28 GLU H H 8.869 0.020 1 294 26 28 GLU HA H 4.629 0.020 1 295 26 28 GLU HB2 H 2.042 0.020 1 296 26 28 GLU HB3 H 2.157 0.020 1 297 26 28 GLU HG2 H 2.384 0.020 1 298 26 28 GLU HG3 H 2.172 0.020 1 299 26 28 GLU C C 176.816 0.3 1 300 26 28 GLU CA C 58.294 0.3 1 301 26 28 GLU CB C 31.636 0.3 1 302 26 28 GLU CG C 36.995 0.3 1 303 26 28 GLU N N 121.726 0.3 1 304 27 29 LYS H H 8.587 0.020 1 305 27 29 LYS HA H 5.320 0.020 1 306 27 29 LYS HB2 H 1.659 0.020 1 307 27 29 LYS HB3 H 1.929 0.020 1 308 27 29 LYS HD2 H 1.696 0.020 1 309 27 29 LYS HD3 H 1.657 0.020 1 310 27 29 LYS HE2 H 2.931 0.020 1 311 27 29 LYS HE3 H 2.967 0.020 1 312 27 29 LYS HG2 H 1.410 0.020 1 313 27 29 LYS HG3 H 1.273 0.020 1 314 27 29 LYS C C 177.929 0.3 1 315 27 29 LYS CA C 53.891 0.3 1 316 27 29 LYS CB C 37.747 0.3 1 317 27 29 LYS CD C 29.870 0.3 1 318 27 29 LYS CE C 41.971 0.3 1 319 27 29 LYS CG C 25.736 0.3 1 320 27 29 LYS N N 117.191 0.3 1 321 28 30 VAL H H 8.225 0.020 1 322 28 30 VAL HA H 3.498 0.020 1 323 28 30 VAL HB H 2.208 0.020 1 324 28 30 VAL HG1 H 0.949 0.020 1 325 28 30 VAL HG2 H 1.082 0.020 1 326 28 30 VAL C C 177.920 0.3 1 327 28 30 VAL CA C 67.871 0.3 1 328 28 30 VAL CB C 31.417 0.3 1 329 28 30 VAL CG1 C 25.027 0.3 1 330 28 30 VAL CG2 C 22.042 0.3 1 331 28 30 VAL N N 120.396 0.3 1 332 29 31 ILE H H 8.408 0.020 1 333 29 31 ILE HA H 4.157 0.020 1 334 29 31 ILE HB H 2.141 0.020 1 335 29 31 ILE HD1 H 1.127 0.020 1 336 29 31 ILE HG12 H 1.354 0.020 1 337 29 31 ILE HG13 H 1.586 0.020 1 338 29 31 ILE HG2 H 0.976 0.020 1 339 29 31 ILE C C 174.229 0.3 1 340 29 31 ILE CA C 62.451 0.3 1 341 29 31 ILE CB C 37.753 0.3 1 342 29 31 ILE CD1 C 14.845 0.3 1 343 29 31 ILE CG1 C 28.945 0.3 1 344 29 31 ILE CG2 C 17.492 0.3 1 345 29 31 ILE N N 115.758 0.3 1 346 30 32 ASP H H 7.034 0.020 1 347 30 32 ASP HA H 4.413 0.020 1 348 30 32 ASP HB2 H 2.955 0.020 1 349 30 32 ASP HB3 H 3.057 0.020 1 350 30 32 ASP C C 179.592 0.3 1 351 30 32 ASP CA C 57.769 0.3 1 352 30 32 ASP CB C 42.017 0.3 1 353 30 32 ASP N N 120.677 0.3 1 354 31 33 VAL H H 7.247 0.020 1 355 31 33 VAL HA H 3.712 0.020 1 356 31 33 VAL HB H 2.062 0.020 1 357 31 33 VAL HG1 H 0.737 0.020 1 358 31 33 VAL HG2 H 0.734 0.020 1 359 31 33 VAL C C 177.331 0.3 1 360 31 33 VAL CA C 65.740 0.3 1 361 31 33 VAL CB C 31.537 0.3 1 362 31 33 VAL CG1 C 21.976 0.3 1 363 31 33 VAL CG2 C 23.223 0.3 1 364 31 33 VAL N N 117.627 0.3 1 365 32 34 LEU H H 8.228 0.020 1 366 32 34 LEU HA H 4.046 0.020 1 367 32 34 LEU HB2 H 2.149 0.020 1 368 32 34 LEU HB3 H 1.413 0.020 1 369 32 34 LEU HD1 H 0.654 0.020 2 370 32 34 LEU HD2 H 0.625 0.020 2 371 32 34 LEU HG H 1.936 0.020 1 372 32 34 LEU C C 179.919 0.3 1 373 32 34 LEU CA C 57.803 0.3 1 374 32 34 LEU CB C 41.678 0.3 1 375 32 34 LEU CD1 C 26.421 0.3 1 376 32 34 LEU CD2 C 21.508 0.3 1 377 32 34 LEU CG C 26.217 0.3 1 378 32 34 LEU N N 118.751 0.3 1 379 33 35 LEU H H 8.682 0.020 1 380 33 35 LEU HA H 4.199 0.020 1 381 33 35 LEU HB2 H 1.929 0.020 1 382 33 35 LEU HB3 H 1.506 0.020 1 383 33 35 LEU HD1 H 0.649 0.020 2 384 33 35 LEU HD2 H 0.845 0.020 2 385 33 35 LEU HG H 1.815 0.020 1 386 33 35 LEU C C 178.809 0.3 1 387 33 35 LEU CA C 58.061 0.3 1 388 33 35 LEU CB C 40.917 0.3 1 389 33 35 LEU CD1 C 22.367 0.3 1 390 33 35 LEU CD2 C 25.499 0.3 1 391 33 35 LEU CG C 26.759 0.3 1 392 33 35 LEU N N 121.103 0.3 1 393 34 36 SER H H 7.817 0.020 1 394 34 36 SER HA H 4.318 0.020 1 395 34 36 SER HB2 H 4.052 0.020 1 396 34 36 SER HB3 H 4.142 0.020 1 397 34 36 SER C C 177.441 0.3 1 398 34 36 SER CA C 61.890 0.3 1 399 34 36 SER CB C 63.185 0.3 1 400 34 36 SER N N 115.179 0.3 1 401 35 37 LEU H H 8.659 0.020 1 402 35 37 LEU HA H 4.014 0.020 1 403 35 37 LEU HB2 H 1.557 0.020 1 404 35 37 LEU HB3 H 2.198 0.020 1 405 35 37 LEU HD1 H 0.732 0.020 1 406 35 37 LEU HD2 H 0.942 0.020 1 407 35 37 LEU HG H 1.553 0.020 1 408 35 37 LEU C C 177.804 0.3 1 409 35 37 LEU CA C 58.626 0.3 1 410 35 37 LEU CB C 42.497 0.3 1 411 35 37 LEU CD1 C 27.100 0.3 1 412 35 37 LEU CD2 C 24.698 0.3 1 413 35 37 LEU CG C 26.988 0.3 1 414 35 37 LEU N N 121.198 0.3 1 415 36 38 THR H H 8.092 0.020 1 416 36 38 THR HA H 4.059 0.020 1 417 36 38 THR HB H 4.078 0.020 1 418 36 38 THR HG2 H 1.294 0.020 1 419 36 38 THR C C 175.723 0.3 1 420 36 38 THR CA C 64.076 0.3 1 421 36 38 THR CB C 69.154 0.3 1 422 36 38 THR CG2 C 23.221 0.3 1 423 36 38 THR N N 106.941 0.3 1 424 37 39 ASP H H 7.919 0.020 1 425 37 39 ASP HA H 4.504 0.020 1 426 37 39 ASP HB2 H 2.872 0.020 1 427 37 39 ASP HB3 H 2.653 0.020 1 428 37 39 ASP C C 177.707 0.3 1 429 37 39 ASP CA C 56.609 0.3 1 430 37 39 ASP CB C 41.313 0.3 1 431 37 39 ASP N N 122.779 0.3 1 432 38 40 LYS H H 7.388 0.020 1 433 38 40 LYS HA H 3.847 0.020 1 434 38 40 LYS HB2 H 1.418 0.020 1 435 38 40 LYS HB3 H 1.672 0.020 1 436 38 40 LYS HD2 H 1.501 0.020 1 437 38 40 LYS HD3 H 1.501 0.020 1 438 38 40 LYS HE2 H 2.946 0.020 1 439 38 40 LYS HE3 H 2.946 0.020 1 440 38 40 LYS HG2 H 0.890 0.020 1 441 38 40 LYS HG3 H 1.239 0.020 1 442 38 40 LYS C C 176.633 0.3 1 443 38 40 LYS CA C 58.602 0.3 1 444 38 40 LYS CB C 33.324 0.3 1 445 38 40 LYS CD C 29.233 0.3 1 446 38 40 LYS CE C 41.971 0.3 1 447 38 40 LYS CG C 24.997 0.3 1 448 38 40 LYS N N 118.991 0.3 1 449 39 41 TYR H H 7.981 0.020 1 450 39 41 TYR HA H 5.041 0.020 1 451 39 41 TYR HB2 H 2.771 0.020 1 452 39 41 TYR HB3 H 2.909 0.020 1 453 39 41 TYR HD1 H 7.194 0.020 1 454 39 41 TYR HD2 H 7.194 0.020 1 455 39 41 TYR HE1 H 6.748 0.020 1 456 39 41 TYR HE2 H 6.748 0.020 1 457 39 41 TYR CA C 54.484 0.3 1 458 39 41 TYR CB C 38.092 0.3 1 459 39 41 TYR CD1 C 133.454 0.3 1 460 39 41 TYR CD2 C 133.454 0.3 1 461 39 41 TYR CE1 C 118.054 0.3 1 462 39 41 TYR CE2 C 118.054 0.3 1 463 39 41 TYR N N 115.334 0.3 1 464 40 42 PRO HA H 4.682 0.020 1 465 40 42 PRO HB2 H 2.006 0.020 1 466 40 42 PRO HB3 H 2.478 0.020 1 467 40 42 PRO HD2 H 3.708 0.020 1 468 40 42 PRO HD3 H 3.377 0.020 1 469 40 42 PRO HG2 H 2.048 0.020 1 470 40 42 PRO HG3 H 2.048 0.020 1 471 40 42 PRO C C 179.334 0.3 1 472 40 42 PRO CA C 64.997 0.3 1 473 40 42 PRO CB C 31.804 0.3 1 474 40 42 PRO CD C 50.397 0.3 1 475 40 42 PRO CG C 27.386 0.3 1 476 41 43 ALA H H 8.720 0.020 1 477 41 43 ALA HA H 4.274 0.020 1 478 41 43 ALA HB H 1.443 0.020 1 479 41 43 ALA C C 180.129 0.3 1 480 41 43 ALA CA C 54.626 0.3 1 481 41 43 ALA CB C 18.557 0.3 1 482 41 43 ALA N N 120.128 0.3 1 483 42 44 LEU H H 8.519 0.020 1 484 42 44 LEU HA H 4.286 0.020 1 485 42 44 LEU HB2 H 1.955 0.020 1 486 42 44 LEU HB3 H 1.477 0.020 1 487 42 44 LEU HD1 H 0.810 0.020 2 488 42 44 LEU HD2 H 0.798 0.020 2 489 42 44 LEU HG H 1.657 0.020 1 490 42 44 LEU C C 178.692 0.3 1 491 42 44 LEU CA C 54.837 0.3 1 492 42 44 LEU CB C 42.706 0.3 1 493 42 44 LEU CD1 C 23.470 0.3 1 494 42 44 LEU CD2 C 25.617 0.3 1 495 42 44 LEU CG C 27.259 0.3 1 496 42 44 LEU N N 114.136 0.3 1 497 43 45 LYS H H 7.929 0.020 1 498 43 45 LYS HA H 3.782 0.020 1 499 43 45 LYS HB2 H 1.595 0.020 1 500 43 45 LYS HB3 H 1.766 0.020 1 501 43 45 LYS HD2 H 1.385 0.020 1 502 43 45 LYS HD3 H 1.551 0.020 1 503 43 45 LYS HE2 H 2.613 0.020 1 504 43 45 LYS HE3 H 2.669 0.020 1 505 43 45 LYS HG2 H 0.600 0.020 1 506 43 45 LYS HG3 H 0.893 0.020 1 507 43 45 LYS C C 176.517 0.3 1 508 43 45 LYS CA C 62.119 0.3 1 509 43 45 LYS CB C 33.227 0.3 1 510 43 45 LYS CD C 29.658 0.3 1 511 43 45 LYS CE C 42.115 0.3 1 512 43 45 LYS CG C 25.122 0.3 1 513 43 45 LYS N N 121.842 0.3 1 514 44 46 TYR H H 8.410 0.020 1 515 44 46 TYR HA H 5.786 0.020 1 516 44 46 TYR HB2 H 2.694 0.020 1 517 44 46 TYR HB3 H 3.576 0.020 1 518 44 46 TYR HD1 H 7.194 0.020 1 519 44 46 TYR HD2 H 7.194 0.020 1 520 44 46 TYR HE1 H 6.841 0.020 1 521 44 46 TYR HE2 H 6.841 0.020 1 522 44 46 TYR C C 176.515 0.3 1 523 44 46 TYR CA C 57.550 0.3 1 524 44 46 TYR CB C 36.091 0.3 1 525 44 46 TYR CD1 C 133.027 0.3 1 526 44 46 TYR CD2 C 133.027 0.3 1 527 44 46 TYR CE1 C 118.072 0.3 1 528 44 46 TYR CE2 C 118.072 0.3 1 529 44 46 TYR N N 111.908 0.3 1 530 45 47 VAL H H 7.097 0.020 1 531 45 47 VAL HA H 4.026 0.020 1 532 45 47 VAL HB H 2.019 0.020 1 533 45 47 VAL HG1 H 0.894 0.020 2 534 45 47 VAL HG2 H 1.020 0.020 2 535 45 47 VAL C C 175.809 0.3 1 536 45 47 VAL CA C 64.011 0.3 1 537 45 47 VAL CB C 32.511 0.3 1 538 45 47 VAL CG1 C 21.513 0.3 1 539 45 47 VAL CG2 C 21.771 0.3 1 540 45 47 VAL N N 117.559 0.3 1 541 46 48 ILE H H 7.054 0.020 1 542 46 48 ILE HA H 3.618 0.020 1 543 46 48 ILE HB H 1.272 0.020 1 544 46 48 ILE HD1 H 0.581 0.020 1 545 46 48 ILE HG12 H 0.821 0.020 1 546 46 48 ILE HG13 H 1.434 0.020 1 547 46 48 ILE HG2 H -0.098 0.020 1 548 46 48 ILE C C 174.385 0.3 1 549 46 48 ILE CA C 63.237 0.3 1 550 46 48 ILE CB C 39.160 0.3 1 551 46 48 ILE CD1 C 13.468 0.3 1 552 46 48 ILE CG1 C 28.751 0.3 1 553 46 48 ILE CG2 C 17.201 0.3 1 554 46 48 ILE N N 116.095 0.3 1 555 47 49 PHE H H 8.185 0.020 1 556 47 49 PHE HA H 5.368 0.020 1 557 47 49 PHE HB2 H 2.855 0.020 1 558 47 49 PHE HB3 H 3.243 0.020 1 559 47 49 PHE HD1 H 7.203 0.020 1 560 47 49 PHE HD2 H 7.203 0.020 1 561 47 49 PHE HE1 H 6.966 0.020 1 562 47 49 PHE HE2 H 6.966 0.020 1 563 47 49 PHE HZ H 6.871 0.020 1 564 47 49 PHE C C 175.893 0.3 1 565 47 49 PHE CA C 56.674 0.3 1 566 47 49 PHE CB C 40.903 0.3 1 567 47 49 PHE CD1 C 132.392 0.3 1 568 47 49 PHE CD2 C 132.392 0.3 1 569 47 49 PHE CE1 C 130.267 0.3 1 570 47 49 PHE CE2 C 130.267 0.3 1 571 47 49 PHE CZ C 128.836 0.3 1 572 47 49 PHE N N 115.746 0.3 1 573 48 50 GLU H H 8.831 0.020 1 574 48 50 GLU HA H 4.370 0.020 1 575 48 50 GLU HB2 H 1.872 0.020 1 576 48 50 GLU HB3 H 2.018 0.020 1 577 48 50 GLU HG2 H 2.229 0.020 1 578 48 50 GLU HG3 H 2.229 0.020 1 579 48 50 GLU C C 177.046 0.3 1 580 48 50 GLU CA C 55.788 0.3 1 581 48 50 GLU CB C 31.405 0.3 1 582 48 50 GLU CG C 36.118 0.3 1 583 48 50 GLU N N 118.409 0.3 1 584 49 51 LYS H H 8.646 0.020 1 585 49 51 LYS HA H 4.122 0.020 1 586 49 51 LYS HB2 H 1.711 0.020 1 587 49 51 LYS HB3 H 1.420 0.020 1 588 49 51 LYS HD2 H 1.358 0.020 1 589 49 51 LYS HD3 H 1.358 0.020 1 590 49 51 LYS HE2 H 2.761 0.020 1 591 49 51 LYS HE3 H 2.761 0.020 1 592 49 51 LYS HG2 H 1.024 0.020 1 593 49 51 LYS HG3 H 1.151 0.020 1 594 49 51 LYS C C 177.096 0.3 1 595 49 51 LYS CA C 57.289 0.3 1 596 49 51 LYS CB C 32.813 0.3 1 597 49 51 LYS CD C 29.102 0.3 1 598 49 51 LYS CE C 41.939 0.3 1 599 49 51 LYS CG C 24.740 0.3 1 600 49 51 LYS N N 124.275 0.3 1 601 50 52 GLY H H 8.365 0.020 1 602 50 52 GLY HA2 H 3.834 0.020 1 603 50 52 GLY HA3 H 4.155 0.020 1 604 50 52 GLY C C 173.397 0.3 1 605 50 52 GLY CA C 45.178 0.3 1 606 50 52 GLY N N 112.422 0.3 1 607 51 53 ASP H H 8.399 0.020 1 608 51 53 ASP HA H 4.594 0.020 1 609 51 53 ASP HB2 H 2.713 0.020 1 610 51 53 ASP HB3 H 2.713 0.020 1 611 51 53 ASP C C 176.867 0.3 1 612 51 53 ASP CA C 53.975 0.3 1 613 51 53 ASP CB C 41.746 0.3 1 614 51 53 ASP N N 121.293 0.3 1 615 52 54 GLU H H 8.699 0.020 1 616 52 54 GLU HA H 4.151 0.020 1 617 52 54 GLU HB2 H 2.051 0.020 1 618 52 54 GLU HB3 H 2.107 0.020 1 619 52 54 GLU HG2 H 2.255 0.020 1 620 52 54 GLU HG3 H 2.288 0.020 1 621 52 54 GLU C C 176.989 0.3 1 622 52 54 GLU CA C 58.150 0.3 1 623 52 54 GLU CB C 29.538 0.3 1 624 52 54 GLU CG C 36.451 0.3 1 625 52 54 GLU N N 120.642 0.3 1 626 53 55 LYS H H 8.386 0.020 1 627 53 55 LYS HA H 4.312 0.020 1 628 53 55 LYS HB2 H 1.811 0.020 1 629 53 55 LYS HB3 H 1.900 0.020 1 630 53 55 LYS HD2 H 1.672 0.020 1 631 53 55 LYS HD3 H 1.672 0.020 1 632 53 55 LYS HE2 H 2.993 0.020 1 633 53 55 LYS HE3 H 2.993 0.020 1 634 53 55 LYS HG2 H 1.384 0.020 1 635 53 55 LYS HG3 H 1.439 0.020 1 636 53 55 LYS C C 176.717 0.3 1 637 53 55 LYS CA C 56.607 0.3 1 638 53 55 LYS CB C 32.300 0.3 1 639 53 55 LYS CD C 28.918 0.3 1 640 53 55 LYS CE C 42.068 0.3 1 641 53 55 LYS CG C 24.998 0.3 1 642 53 55 LYS N N 118.633 0.3 1 643 54 56 SER H H 7.923 0.020 1 644 54 56 SER HA H 4.415 0.020 1 645 54 56 SER HB2 H 3.861 0.020 1 646 54 56 SER HB3 H 3.894 0.020 1 647 54 56 SER C C 174.535 0.3 1 648 54 56 SER CA C 58.228 0.3 1 649 54 56 SER CB C 63.993 0.3 1 650 54 56 SER N N 114.940 0.3 1 651 55 57 GLU H H 8.720 0.020 1 652 55 57 GLU HA H 4.284 0.020 1 653 55 57 GLU HB2 H 1.907 0.020 1 654 55 57 GLU HB3 H 2.126 0.020 1 655 55 57 GLU HG2 H 2.168 0.020 1 656 55 57 GLU HG3 H 2.248 0.020 1 657 55 57 GLU C C 175.824 0.3 1 658 55 57 GLU CA C 56.706 0.3 1 659 55 57 GLU CB C 30.016 0.3 1 660 55 57 GLU CG C 36.423 0.3 1 661 55 57 GLU N N 122.852 0.3 1 662 56 58 ILE H H 7.796 0.020 1 663 56 58 ILE HA H 4.102 0.020 1 664 56 58 ILE HB H 1.753 0.020 1 665 56 58 ILE HD1 H 0.833 0.020 1 666 56 58 ILE HG12 H 1.123 0.020 1 667 56 58 ILE HG13 H 1.430 0.020 1 668 56 58 ILE HG2 H 0.839 0.020 1 669 56 58 ILE C C 175.346 0.3 1 670 56 58 ILE CA C 60.671 0.3 1 671 56 58 ILE CB C 38.968 0.3 1 672 56 58 ILE CD1 C 12.646 0.3 1 673 56 58 ILE CG1 C 27.271 0.3 1 674 56 58 ILE CG2 C 17.323 0.3 1 675 56 58 ILE N N 120.674 0.3 1 676 57 59 LEU H H 8.132 0.020 1 677 57 59 LEU HA H 4.473 0.020 1 678 57 59 LEU HB2 H 1.264 0.020 1 679 57 59 LEU HB3 H 0.818 0.020 1 680 57 59 LEU HD1 H 0.318 0.020 2 681 57 59 LEU HD2 H 0.405 0.020 2 682 57 59 LEU HG H 1.294 0.020 1 683 57 59 LEU C C 175.496 0.3 1 684 57 59 LEU CA C 54.198 0.3 1 685 57 59 LEU CB C 42.553 0.3 1 686 57 59 LEU CD1 C 25.326 0.3 1 687 57 59 LEU CD2 C 22.731 0.3 1 688 57 59 LEU CG C 26.433 0.3 1 689 57 59 LEU N N 128.126 0.3 1 690 58 60 ILE H H 8.822 0.020 1 691 58 60 ILE HA H 4.355 0.020 1 692 58 60 ILE HB H 1.807 0.020 1 693 58 60 ILE HD1 H 0.833 0.020 1 694 58 60 ILE HG12 H 1.084 0.020 1 695 58 60 ILE HG13 H 1.440 0.020 1 696 58 60 ILE HG2 H 0.950 0.020 1 697 58 60 ILE C C 175.695 0.3 1 698 58 60 ILE CA C 59.342 0.3 1 699 58 60 ILE CB C 40.880 0.3 1 700 58 60 ILE CD1 C 12.853 0.3 1 701 58 60 ILE CG1 C 26.990 0.3 1 702 58 60 ILE CG2 C 17.381 0.3 1 703 58 60 ILE N N 122.443 0.3 1 704 59 61 LEU H H 8.683 0.020 1 705 59 61 LEU HA H 4.414 0.020 1 706 59 61 LEU HB2 H 1.462 0.020 1 707 59 61 LEU HB3 H 1.659 0.020 1 708 59 61 LEU HD1 H 0.684 0.020 2 709 59 61 LEU HD2 H 0.743 0.020 2 710 59 61 LEU HG H 1.755 0.020 1 711 59 61 LEU C C 177.274 0.3 1 712 59 61 LEU CA C 55.399 0.3 1 713 59 61 LEU CB C 43.180 0.3 1 714 59 61 LEU CD1 C 25.433 0.3 1 715 59 61 LEU CD2 C 24.920 0.3 1 716 59 61 LEU CG C 26.370 0.3 1 717 59 61 LEU N N 127.015 0.3 1 718 60 62 CYS H H 8.974 0.020 1 719 60 62 CYS HA H 4.326 0.020 1 720 60 62 CYS HB2 H 2.617 0.020 1 721 60 62 CYS HB3 H 2.775 0.020 1 722 60 62 CYS C C 176.699 0.3 1 723 60 62 CYS CA C 59.791 0.3 1 724 60 62 CYS CB C 27.076 0.3 1 725 60 62 CYS N N 125.364 0.3 1 726 61 63 GLY H H 8.939 0.020 1 727 61 63 GLY HA2 H 3.952 0.020 1 728 61 63 GLY HA3 H 3.952 0.020 1 729 61 63 GLY C C 174.609 0.3 1 730 61 63 GLY CA C 46.980 0.3 1 731 61 63 GLY N N 113.252 0.3 1 732 62 64 SER H H 7.796 0.020 1 733 62 64 SER HA H 4.460 0.020 1 734 62 64 SER HB2 H 3.859 0.020 1 735 62 64 SER HB3 H 3.995 0.020 1 736 62 64 SER C C 173.575 0.3 1 737 62 64 SER CA C 57.779 0.3 1 738 62 64 SER CB C 63.483 0.3 1 739 62 64 SER N N 111.873 0.3 1 740 63 65 ILE H H 7.115 0.020 1 741 63 65 ILE HA H 4.375 0.020 1 742 63 65 ILE HB H 1.850 0.020 1 743 63 65 ILE HD1 H 0.754 0.020 1 744 63 65 ILE HG12 H 1.425 0.020 1 745 63 65 ILE HG13 H 1.213 0.020 1 746 63 65 ILE HG2 H 0.859 0.020 1 747 63 65 ILE C C 173.500 0.3 1 748 63 65 ILE CA C 58.058 0.3 1 749 63 65 ILE CB C 39.406 0.3 1 750 63 65 ILE CD1 C 12.684 0.3 1 751 63 65 ILE CG1 C 28.443 0.3 1 752 63 65 ILE CG2 C 18.440 0.3 1 753 63 65 ILE N N 121.172 0.3 1 754 64 66 ASN H H 8.090 0.020 1 755 64 66 ASN HA H 5.236 0.020 1 756 64 66 ASN HB2 H 2.681 0.020 1 757 64 66 ASN HB3 H 2.157 0.020 1 758 64 66 ASN HD21 H 7.427 0.020 1 759 64 66 ASN HD22 H 6.913 0.020 1 760 64 66 ASN C C 172.539 0.3 1 761 64 66 ASN CA C 52.384 0.3 1 762 64 66 ASN CB C 42.153 0.3 1 763 64 66 ASN N N 123.408 0.3 1 764 64 66 ASN ND2 N 114.356 0.3 1 765 65 67 ILE H H 9.192 0.020 1 766 65 67 ILE HA H 5.008 0.020 1 767 65 67 ILE HB H 1.756 0.020 1 768 65 67 ILE HD1 H 0.691 0.020 1 769 65 67 ILE HG12 H 1.151 0.020 1 770 65 67 ILE HG13 H 1.365 0.020 1 771 65 67 ILE HG2 H 0.715 0.020 1 772 65 67 ILE C C 174.011 0.3 1 773 65 67 ILE CA C 59.073 0.3 1 774 65 67 ILE CB C 37.840 0.3 1 775 65 67 ILE CD1 C 14.209 0.3 1 776 65 67 ILE CG1 C 27.872 0.3 1 777 65 67 ILE CG2 C 17.486 0.3 1 778 65 67 ILE N N 122.613 0.3 1 779 66 68 LEU H H 9.279 0.020 1 780 66 68 LEU HA H 5.047 0.020 1 781 66 68 LEU HB2 H 1.749 0.020 1 782 66 68 LEU HB3 H 0.917 0.020 1 783 66 68 LEU HD1 H 0.734 0.020 2 784 66 68 LEU HD2 H 0.634 0.020 2 785 66 68 LEU HG H 1.407 0.020 1 786 66 68 LEU C C 176.831 0.3 1 787 66 68 LEU CA C 52.517 0.3 1 788 66 68 LEU CB C 44.956 0.3 1 789 66 68 LEU CD1 C 25.347 0.3 1 790 66 68 LEU CD2 C 23.277 0.3 1 791 66 68 LEU CG C 27.888 0.3 1 792 66 68 LEU N N 127.036 0.3 1 793 67 69 ILE H H 9.232 0.020 1 794 67 69 ILE HA H 4.820 0.020 1 795 67 69 ILE HB H 1.609 0.020 1 796 67 69 ILE HD1 H 0.771 0.020 1 797 67 69 ILE HG12 H 1.382 0.020 1 798 67 69 ILE HG13 H 0.872 0.020 1 799 67 69 ILE HG2 H 0.817 0.020 1 800 67 69 ILE C C 176.820 0.3 1 801 67 69 ILE CA C 59.995 0.3 1 802 67 69 ILE CB C 38.908 0.3 1 803 67 69 ILE CD1 C 14.657 0.3 1 804 67 69 ILE CG1 C 27.248 0.3 1 805 67 69 ILE CG2 C 17.351 0.3 1 806 67 69 ILE N N 119.875 0.3 1 807 68 70 ASN H H 9.934 0.020 1 808 68 70 ASN HA H 4.543 0.020 1 809 68 70 ASN HB2 H 2.955 0.020 1 810 68 70 ASN HB3 H 3.097 0.020 1 811 68 70 ASN HD21 H 7.554 0.020 1 812 68 70 ASN HD22 H 7.711 0.020 1 813 68 70 ASN C C 175.555 0.3 1 814 68 70 ASN CA C 54.383 0.3 1 815 68 70 ASN CB C 37.417 0.3 1 816 68 70 ASN N N 129.418 0.3 1 817 68 70 ASN ND2 N 118.396 0.3 1 818 69 71 GLY H H 8.683 0.020 1 819 69 71 GLY HA2 H 3.497 0.020 1 820 69 71 GLY HA3 H 4.292 0.020 1 821 69 71 GLY C C 173.189 0.3 1 822 69 71 GLY CA C 45.514 0.3 1 823 69 71 GLY N N 101.434 0.3 1 824 70 72 ASN H H 8.100 0.020 1 825 70 72 ASN HA H 5.080 0.020 1 826 70 72 ASN HB2 H 2.697 0.020 1 827 70 72 ASN HB3 H 2.933 0.020 1 828 70 72 ASN HD21 H 7.077 0.020 1 829 70 72 ASN HD22 H 7.512 0.020 1 830 70 72 ASN C C 174.377 0.3 1 831 70 72 ASN CA C 51.646 0.3 1 832 70 72 ASN CB C 40.013 0.3 1 833 70 72 ASN N N 119.443 0.3 1 834 70 72 ASN ND2 N 113.591 0.3 1 835 71 73 ASN H H 9.208 0.020 1 836 71 73 ASN HA H 4.689 0.020 1 837 71 73 ASN HB2 H 2.599 0.020 1 838 71 73 ASN HB3 H 2.428 0.020 1 839 71 73 ASN HD21 H 7.991 0.020 1 840 71 73 ASN HD22 H 7.064 0.020 1 841 71 73 ASN C C 177.895 0.3 1 842 71 73 ASN CA C 54.623 0.3 1 843 71 73 ASN CB C 38.984 0.3 1 844 71 73 ASN N N 126.164 0.3 1 845 71 73 ASN ND2 N 114.904 0.3 1 846 72 74 ILE H H 8.686 0.020 1 847 72 74 ILE HA H 4.064 0.020 1 848 72 74 ILE HB H 2.051 0.020 1 849 72 74 ILE HD1 H 0.671 0.020 1 850 72 74 ILE HG12 H 1.702 0.020 1 851 72 74 ILE HG13 H 1.269 0.020 1 852 72 74 ILE HG2 H 1.015 0.020 1 853 72 74 ILE C C 178.779 0.3 1 854 72 74 ILE CA C 65.623 0.3 1 855 72 74 ILE CB C 37.118 0.3 1 856 72 74 ILE CD1 C 14.124 0.3 1 857 72 74 ILE CG1 C 24.569 0.3 1 858 72 74 ILE CG2 C 18.404 0.3 1 859 72 74 ILE N N 120.958 0.3 1 860 73 75 ARG H H 9.275 0.020 1 861 73 75 ARG HA H 4.100 0.020 1 862 73 75 ARG HB2 H 1.376 0.020 1 863 73 75 ARG HB3 H 1.655 0.020 1 864 73 75 ARG HD2 H 3.136 0.020 1 865 73 75 ARG HD3 H 3.188 0.020 1 866 73 75 ARG HG2 H 1.470 0.020 1 867 73 75 ARG HG3 H 1.524 0.020 1 868 73 75 ARG C C 177.558 0.3 1 869 73 75 ARG CA C 58.815 0.3 1 870 73 75 ARG CB C 29.435 0.3 1 871 73 75 ARG CD C 43.470 0.3 1 872 73 75 ARG CG C 28.643 0.3 1 873 73 75 ARG N N 123.466 0.3 1 874 74 76 HIS H H 7.871 0.020 1 875 74 76 HIS HA H 4.918 0.020 1 876 74 76 HIS HB2 H 3.465 0.020 1 877 74 76 HIS HB3 H 3.182 0.020 1 878 74 76 HIS HD2 H 6.986 0.020 1 879 74 76 HIS HE1 H 7.904 0.020 1 880 74 76 HIS C C 174.874 0.3 1 881 74 76 HIS CA C 54.926 0.3 1 882 74 76 HIS CB C 30.330 0.3 1 883 74 76 HIS CD2 C 119.995 0.3 1 884 74 76 HIS CE1 C 138.380 0.3 1 885 74 76 HIS N N 116.511 0.3 1 886 74 76 HIS ND1 N 212.329 0.3 1 887 74 76 HIS NE2 N 187.617 0.3 1 888 75 77 LEU H H 7.337 0.020 1 889 75 77 LEU HA H 4.753 0.020 1 890 75 77 LEU HB2 H 1.777 0.020 1 891 75 77 LEU HB3 H 1.826 0.020 1 892 75 77 LEU HD1 H 0.996 0.020 2 893 75 77 LEU HD2 H 0.936 0.020 2 894 75 77 LEU HG H 1.670 0.020 1 895 75 77 LEU C C 175.751 0.3 1 896 75 77 LEU CA C 53.372 0.3 1 897 75 77 LEU CB C 40.692 0.3 1 898 75 77 LEU CD1 C 26.597 0.3 1 899 75 77 LEU CD2 C 22.534 0.3 1 900 75 77 LEU CG C 26.498 0.3 1 901 75 77 LEU N N 123.663 0.3 1 902 76 78 GLU H H 7.705 0.020 1 903 76 78 GLU HA H 4.735 0.020 1 904 76 78 GLU HB2 H 1.710 0.020 1 905 76 78 GLU HB3 H 2.309 0.020 1 906 76 78 GLU HG2 H 2.169 0.020 1 907 76 78 GLU HG3 H 2.314 0.020 1 908 76 78 GLU C C 177.014 0.3 1 909 76 78 GLU CA C 55.421 0.3 1 910 76 78 GLU CB C 29.296 0.3 1 911 76 78 GLU CG C 36.945 0.3 1 912 76 78 GLU N N 122.467 0.3 1 913 77 79 GLY H H 7.961 0.020 1 914 77 79 GLY HA2 H 3.189 0.020 1 915 77 79 GLY HA3 H 4.038 0.020 1 916 77 79 GLY CA C 46.445 0.3 1 917 77 79 GLY N N 106.912 0.3 1 918 78 80 LEU H H 9.453 0.020 1 919 78 80 LEU HA H 3.878 0.020 1 920 78 80 LEU HB2 H 2.081 0.020 1 921 78 80 LEU HB3 H 1.645 0.020 1 922 78 80 LEU HD1 H 0.860 0.020 2 923 78 80 LEU HD2 H 1.111 0.020 2 924 78 80 LEU HG H 1.876 0.020 1 925 78 80 LEU C C 175.710 0.3 1 926 78 80 LEU CA C 57.250 0.3 1 927 78 80 LEU CB C 42.328 0.3 1 928 78 80 LEU CD1 C 24.139 0.3 1 929 78 80 LEU CD2 C 25.789 0.3 1 930 78 80 LEU CG C 26.934 0.3 1 931 78 80 LEU N N 127.306 0.3 1 932 79 81 GLU H H 7.398 0.020 1 933 79 81 GLU HA H 4.306 0.020 1 934 79 81 GLU HB2 H 2.042 0.020 1 935 79 81 GLU HB3 H 2.453 0.020 1 936 79 81 GLU HG2 H 2.372 0.020 1 937 79 81 GLU HG3 H 2.216 0.020 1 938 79 81 GLU C C 175.250 0.3 1 939 79 81 GLU CA C 55.668 0.3 1 940 79 81 GLU CB C 29.708 0.3 1 941 79 81 GLU CG C 36.360 0.3 1 942 79 81 GLU N N 113.515 0.3 1 943 80 82 THR H H 7.200 0.020 1 944 80 82 THR HA H 3.969 0.020 1 945 80 82 THR HB H 3.916 0.020 1 946 80 82 THR HG1 H 5.986 0.020 1 947 80 82 THR HG2 H 1.389 0.020 1 948 80 82 THR C C 173.782 0.3 1 949 80 82 THR CA C 65.819 0.3 1 950 80 82 THR CB C 69.987 0.3 1 951 80 82 THR CG2 C 21.932 0.3 1 952 80 82 THR N N 116.499 0.3 1 953 81 83 LEU H H 8.653 0.020 1 954 81 83 LEU HA H 4.512 0.020 1 955 81 83 LEU HB2 H 1.788 0.020 1 956 81 83 LEU HB3 H 1.591 0.020 1 957 81 83 LEU HD1 H 1.028 0.020 2 958 81 83 LEU HD2 H 0.978 0.020 2 959 81 83 LEU HG H 1.881 0.020 1 960 81 83 LEU C C 177.273 0.3 1 961 81 83 LEU CA C 55.422 0.3 1 962 81 83 LEU CB C 42.767 0.3 1 963 81 83 LEU CD1 C 25.497 0.3 1 964 81 83 LEU CD2 C 23.936 0.3 1 965 81 83 LEU CG C 27.180 0.3 1 966 81 83 LEU N N 127.915 0.3 1 967 82 84 LEU H H 7.921 0.020 1 968 82 84 LEU HA H 4.467 0.020 1 969 82 84 LEU HB2 H 1.580 0.020 1 970 82 84 LEU HB3 H 1.159 0.020 1 971 82 84 LEU HD1 H 0.571 0.020 2 972 82 84 LEU HD2 H 0.783 0.020 2 973 82 84 LEU HG H 1.430 0.020 1 974 82 84 LEU C C 175.454 0.3 1 975 82 84 LEU CA C 53.406 0.3 1 976 82 84 LEU CB C 43.938 0.3 1 977 82 84 LEU CD1 C 27.040 0.3 1 978 82 84 LEU CD2 C 23.680 0.3 1 979 82 84 LEU CG C 27.393 0.3 1 980 82 84 LEU N N 121.223 0.3 1 981 83 85 LYS H H 8.780 0.020 1 982 83 85 LYS HA H 4.559 0.020 1 983 83 85 LYS HB2 H 1.794 0.020 1 984 83 85 LYS HB3 H 1.734 0.020 1 985 83 85 LYS HD2 H 1.698 0.020 1 986 83 85 LYS HD3 H 1.723 0.020 1 987 83 85 LYS HE2 H 3.034 0.020 1 988 83 85 LYS HE3 H 3.034 0.020 1 989 83 85 LYS HG2 H 1.374 0.020 1 990 83 85 LYS HG3 H 1.482 0.020 1 991 83 85 LYS C C 175.216 0.3 1 992 83 85 LYS CA C 54.002 0.3 1 993 83 85 LYS CB C 35.204 0.3 1 994 83 85 LYS CD C 28.849 0.3 1 995 83 85 LYS CE C 42.137 0.3 1 996 83 85 LYS CG C 24.150 0.3 1 997 83 85 LYS N N 121.147 0.3 1 998 84 86 ASP H H 8.475 0.020 1 999 84 86 ASP HA H 4.575 0.020 1 1000 84 86 ASP HB2 H 2.545 0.020 1 1001 84 86 ASP HB3 H 2.776 0.020 1 1002 84 86 ASP C C 177.992 0.3 1 1003 84 86 ASP CA C 56.243 0.3 1 1004 84 86 ASP CB C 41.251 0.3 1 1005 84 86 ASP N N 119.723 0.3 1 1006 85 87 SER H H 9.197 0.020 1 1007 85 87 SER HA H 4.099 0.020 1 1008 85 87 SER HB2 H 4.104 0.020 1 1009 85 87 SER HB3 H 4.310 0.020 1 1010 85 87 SER C C 174.262 0.3 1 1011 85 87 SER CA C 60.794 0.3 1 1012 85 87 SER CB C 61.996 0.3 1 1013 85 87 SER N N 112.880 0.3 1 1014 86 88 ASP H H 8.208 0.020 1 1015 86 88 ASP HA H 4.741 0.020 1 1016 86 88 ASP HB2 H 2.859 0.020 1 1017 86 88 ASP HB3 H 2.277 0.020 1 1018 86 88 ASP C C 174.636 0.3 1 1019 86 88 ASP CA C 56.578 0.3 1 1020 86 88 ASP CB C 42.024 0.3 1 1021 86 88 ASP N N 122.492 0.3 1 1022 87 89 GLU H H 8.474 0.020 1 1023 87 89 GLU HA H 5.115 0.020 1 1024 87 89 GLU HB2 H 2.010 0.020 1 1025 87 89 GLU HB3 H 2.048 0.020 1 1026 87 89 GLU HG2 H 2.249 0.020 1 1027 87 89 GLU HG3 H 1.917 0.020 1 1028 87 89 GLU C C 175.808 0.3 1 1029 87 89 GLU CA C 54.335 0.3 1 1030 87 89 GLU CB C 32.165 0.3 1 1031 87 89 GLU CG C 37.495 0.3 1 1032 87 89 GLU N N 119.301 0.3 1 1033 88 90 ILE H H 9.544 0.020 1 1034 88 90 ILE HA H 5.281 0.020 1 1035 88 90 ILE HB H 1.943 0.020 1 1036 88 90 ILE HD1 H 0.837 0.020 1 1037 88 90 ILE HG12 H 1.090 0.020 1 1038 88 90 ILE HG13 H 1.454 0.020 1 1039 88 90 ILE HG2 H 0.728 0.020 1 1040 88 90 ILE C C 174.820 0.3 1 1041 88 90 ILE CA C 58.927 0.3 1 1042 88 90 ILE CB C 38.919 0.3 1 1043 88 90 ILE CD1 C 14.697 0.3 1 1044 88 90 ILE CG1 C 27.986 0.3 1 1045 88 90 ILE CG2 C 17.118 0.3 1 1046 88 90 ILE N N 129.482 0.3 1 1047 89 91 GLY H H 9.560 0.020 1 1048 89 91 GLY HA2 H 5.258 0.020 1 1049 89 91 GLY HA3 H 3.679 0.020 1 1050 89 91 GLY C C 172.477 0.3 1 1051 89 91 GLY CA C 44.502 0.3 1 1052 89 91 GLY N N 115.630 0.3 1 1053 90 92 ILE H H 8.466 0.020 1 1054 90 92 ILE HA H 4.727 0.020 1 1055 90 92 ILE HB H 1.858 0.020 1 1056 90 92 ILE HD1 H 0.495 0.020 1 1057 90 92 ILE HG12 H 0.850 0.020 1 1058 90 92 ILE HG13 H 1.509 0.020 1 1059 90 92 ILE HG2 H 0.608 0.020 1 1060 90 92 ILE C C 173.446 0.3 1 1061 90 92 ILE CA C 61.260 0.3 1 1062 90 92 ILE CB C 37.881 0.3 1 1063 90 92 ILE CD1 C 14.076 0.3 1 1064 90 92 ILE CG1 C 26.745 0.3 1 1065 90 92 ILE CG2 C 17.967 0.3 1 1066 90 92 ILE N N 122.537 0.3 1 1067 91 93 LEU H H 8.912 0.020 1 1068 91 93 LEU HA H 5.030 0.020 1 1069 91 93 LEU HB2 H 1.649 0.020 1 1070 91 93 LEU HB3 H 1.458 0.020 1 1071 91 93 LEU HD1 H 0.540 0.020 1 1072 91 93 LEU HD2 H 0.440 0.020 1 1073 91 93 LEU HG H 1.307 0.020 1 1074 91 93 LEU CA C 52.904 0.3 1 1075 91 93 LEU CB C 43.563 0.3 1 1076 91 93 LEU CD1 C 25.508 0.3 1 1077 91 93 LEU CD2 C 25.222 0.3 1 1078 91 93 LEU CG C 27.972 0.3 1 1079 91 93 LEU N N 127.335 0.3 1 1080 92 94 PRO HA H 4.850 0.020 1 1081 92 94 PRO HB2 H 2.155 0.020 1 1082 92 94 PRO HB3 H 2.209 0.020 1 1083 92 94 PRO HD2 H 3.780 0.020 1 1084 92 94 PRO HD3 H 3.865 0.020 1 1085 92 94 PRO HG2 H 2.123 0.020 1 1086 92 94 PRO HG3 H 2.123 0.020 1 1087 92 94 PRO CA C 61.171 0.3 1 1088 92 94 PRO CB C 30.843 0.3 1 1089 92 94 PRO CD C 50.447 0.3 1 1090 92 94 PRO CG C 27.255 0.3 1 1091 93 95 PRO HA H 4.442 0.020 1 1092 93 95 PRO HB2 H 1.892 0.020 1 1093 93 95 PRO HB3 H 2.263 0.020 1 1094 93 95 PRO HD2 H 3.608 0.020 1 1095 93 95 PRO HD3 H 3.575 0.020 1 1096 93 95 PRO HG2 H 1.940 0.020 1 1097 93 95 PRO HG3 H 2.023 0.020 1 1098 93 95 PRO C C 177.014 0.3 1 1099 93 95 PRO CA C 62.875 0.3 1 1100 93 95 PRO CB C 31.929 0.3 1 1101 93 95 PRO CD C 50.150 0.3 1 1102 93 95 PRO CG C 27.689 0.3 1 1103 94 96 VAL H H 8.235 0.020 1 1104 94 96 VAL HA H 4.117 0.020 1 1105 94 96 VAL HB H 2.078 0.020 1 1106 94 96 VAL HG1 H 0.947 0.020 2 1107 94 96 VAL HG2 H 0.947 0.020 2 1108 94 96 VAL C C 176.344 0.3 1 1109 94 96 VAL CA C 62.289 0.3 1 1110 94 96 VAL CB C 32.864 0.3 1 1111 94 96 VAL CG1 C 20.454 0.3 1 1112 94 96 VAL CG2 C 21.186 0.3 1 1113 94 96 VAL N N 120.425 0.3 1 1114 95 97 SER H H 8.399 0.020 1 1115 95 97 SER HA H 4.475 0.020 1 1116 95 97 SER HB2 H 3.854 0.020 1 1117 95 97 SER HB3 H 3.876 0.020 1 1118 95 97 SER C C 174.889 0.3 1 1119 95 97 SER CA C 58.295 0.3 1 1120 95 97 SER CB C 63.910 0.3 1 1121 95 97 SER N N 119.395 0.3 1 1122 96 98 GLY H H 8.455 0.020 1 1123 96 98 GLY HA2 H 3.977 0.020 1 1124 96 98 GLY HA3 H 3.993 0.020 1 1125 96 98 GLY C C 173.577 0.3 1 1126 96 98 GLY CA C 45.354 0.3 1 1127 96 98 GLY N N 111.822 0.3 1 1128 97 99 GLY H H 7.985 0.020 1 1129 97 99 GLY HA2 H 3.749 0.020 1 1130 97 99 GLY HA3 H 3.768 0.020 1 1131 97 99 GLY CA C 46.002 0.3 1 1132 97 99 GLY N N 115.140 0.3 1 stop_ save_ save_heteronucl_NOEs _Saveframe_category heteronuclear_NOE _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 600 _Mol_system_component_name 'Small archaeal modifier protein 1 from Methanosarcina acetivorans' _Atom_one_atom_name H _Atom_two_atom_name N _Heteronuclear_NOE_value_type 'peak height' _NOE_reference_value 110.234 _NOE_reference_description . _Text_data_format . _Text_data . loop_ _Residue_seq_code _Residue_label _Heteronuclear_NOE_value _Heteronuclear_NOE_value_error 3 MET -0.03 . 4 ALA 0.48 . 5 GLU 0.73 . 7 LYS 0.67 . 9 LYS 0.73 . 10 LEU 0.77 . 11 PHE 0.78 . 13 ASN 0.73 . 14 LEU 0.77 . 15 ARG 0.73 . 16 GLU 0.70 . 17 ALA 0.73 . 19 GLY 0.72 . 20 THR 0.75 . 23 LEU 0.75 . 25 LEU 0.78 . 26 SER 0.76 . 27 GLY 0.76 . 28 GLU 0.73 . 29 LYS 0.74 . 31 ILE 0.78 . 32 ASP 0.77 . 33 VAL 0.77 . 34 LEU 0.81 . 36 SER 0.76 . 38 THR 0.80 . 39 ASP 0.78 . 40 LYS 0.77 . 43 ALA 0.78 . 44 LEU 0.76 . 45 LYS 0.78 . 47 VAL 0.77 . 48 ILE 0.73 . 49 PHE 0.75 . 50 GLU 0.76 . 51 LYS 0.53 . 52 GLY 0.45 . 53 ASP 0.40 . 55 LYS 0.36 . 56 SER 0.38 . 57 GLU 0.31 . 58 ILE 0.32 . 59 LEU 0.41 . 60 ILE 0.66 . 61 LEU 0.72 . 63 GLY 0.77 . 64 SER 0.71 . 65 ILE 0.66 . 66 ASN 0.81 . 67 ILE 0.78 . 68 LEU 0.78 . 69 ILE 0.77 . 70 ASN 0.78 . 71 GLY 0.76 . 72 ASN 0.81 . 73 ASN 0.86 . 76 HIS 0.73 . 77 LEU 0.76 . 78 GLU 0.78 . 79 GLY 0.80 . 81 GLU 0.72 . 82 THR 0.79 . 83 LEU 0.75 . 84 LEU 0.77 . 85 LYS 0.74 . 86 ASP 0.78 . 87 SER 0.77 . 88 ASP 0.76 . 89 GLU 0.70 . 90 ILE 0.74 . 91 GLY 0.77 . 92 ILE 0.77 . 93 LEU 0.80 . 97 SER -0.38 . 98 GLY -1.01 . 99 GLY -2.01 . stop_ save_ save_H_exch_rates _Saveframe_category H_exchange_rates _Details . loop_ _Experiment_label $2D_1H-15N_HSQC_11 stop_ loop_ _Sample_label $sample_2 $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _H_exchange_rate_units s-1 _Mol_system_component_name 'Small archaeal modifier protein 1 from Methanosarcina acetivorans' _Text_data_format . _Text_data . loop_ _Residue_seq_code _Residue_label _Atom_name _H_exchange_rate_value _H_exchange_rate_min_value _H_exchange_rate_max_value _H_exchange_rate_value_error 5 GLU H 0.00183 . . . 7 LYS H 0.000622 . . . 8 VAL H 0.000308 . . . 9 LYS H 0.000663 . . . 10 LEU H 0.0026 . . . 11 PHE H 0.0018 . . . 25 LEU H 0.000226 . . . 27 GLY H 0.00201 . . . 29 LYS H 0.000243 . . . 30 VAL H 0.000149 . . . 31 ILE H 0.0000177 . . . 33 VAL H 0.0000131 . . . 34 LEU H 0.00000333 . . . 36 SER H 0.000991 . . . 38 THR H 0.000051 . . . 39 ASP H 0.000163 . . . 40 LYS H 0.00146 . . . 41 TYR H 0.0000151 . . . 44 LEU H 0.000163 . . . 45 LYS H 0.000493 . . . 47 VAL H 0.00158 . . . 48 ILE H 0.0000179 . . . 49 PHE H 0.00003 . . . 60 ILE H 0.00292 . . . 66 ASN H 0.00412 . . . 67 ILE H 0.00413 . . . 68 LEU H 0.00000925 . . . 69 ILE H 0.0000069 . . . 72 ASN H 0.000617 . . . 79 GLY H 0.00598 . . . 81 GLU H 0.00139 . . . 82 THR H 0.00042 . . . 83 LEU H 0.000475 . . . 84 LEU H 0.000028 . . . 85 LYS H 0.0000895 . . . 88 ASP H 0.000324 . . . 89 GLU H 0.0000895 . . . 90 ILE H 0.0000881 . . . 91 GLY H 0.000241 . . . 92 ILE H 0.000119 . . . 93 LEU H 0.000101 . . . stop_ save_ save_H_exch_protection_factors _Saveframe_category H_exchange_protection_factors _Details . _Sample_label $sample_1 _Sample_conditions_label $sample_conditions_1 _Standard_values_source_citation_label $entry_citation _Mol_system_component_name 'Small archaeal modifier protein 1 from Methanosarcina acetivorans' _Text_data_format . _Text_data . loop_ _Residue_seq_code _Residue_label _Atom_name _H_exchange_protection_factor_value _H_exchange_protection_factor_value_error 5 GLU H 4.750E+02 . 7 LYS H 2.891E+03 . 8 VAL H 2.314E+03 . 9 LYS H 2.712E+03 . 10 LEU H 3.660E+02 . 11 PHE H 5.420E+02 . 25 LEU H 1.838E+03 . 27 GLY H 4.993E+03 . 29 LYS H 7.363E+03 . 30 VAL H 4.782E+03 . 31 ILE H 2.074E+04 . 33 VAL H 2.763E+04 . 34 LEU H 1.571E+05 . 36 SER H 3.969E+03 . 38 THR H 2.825E+04 . 39 ASP H 1.357E+04 . 40 LYS H 1.138E+03 . 41 TYR H 1.276E+05 . 44 LEU H 4.429E+03 . 45 LYS H 3.104E+03 . 47 VAL H 3.840E+02 . 48 ILE H 2.051E+04 . 49 PHE H 3.103E+04 . 60 ILE H 1.070E+02 . 66 ASN H 1.202E+03 . 67 ILE H 2.560E+02 . 68 LEU H 4.596E+04 . 69 ILE H 4.528E+04 . 72 ASN H 2.016E+04 . 79 GLY H 6.070E+02 . 81 GLU H 3.860E+02 . 82 THR H 4.010E+03 . 83 LEU H 2.409E+03 . 84 LEU H 1.590E+04 . 85 LYS H 1.710E+04 . 88 ASP H 8.587E+03 . 89 GLU H 6.507E+03 . 90 ILE H 4.146E+03 . 91 GLY H 1.230E+04 . 92 ILE H 6.298E+03 . 93 LEU H 4.209E+03 . stop_ save_