data_16144 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone and side chain 1H, 13C, and 15N NMR assignments for the organic hydroperoxide resistance protein (Ohr) from Burkholderia pseudomallei, Seattle Structural Genomics Center for Infectious Disease (SSGCID) target BupsA.00074 ; _BMRB_accession_number 16144 _BMRB_flat_file_name bmr16144.str _Entry_type original _Submission_date 2009-01-28 _Accession_date 2009-01-28 _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 Buchko Garry W. . 2 Hewitt Stephen N. . 3 Napuli Alberto J. . 4 'Van Voorhis' Wesley C. . 5 Myler Peter J. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 608 "13C chemical shifts" 517 "15N chemical shifts" 139 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2009-11-12 update BMRB 'complete entry citation' 2009-07-17 update author 'update entry title' 2009-07-16 update BMRB 'updated entry citation' 2009-01-30 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Backbone and side chain (1)H, (13)C, and (15)N NMR assignments for the organic hydroperoxide resistance protein (Ohr) from Burkholderia pseudomallei.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 19888681 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Buchko Garry W. . 2 Hewitt Stephen N. . 3 Napuli Alberto J. . 4 'Van Voorhis' Wesley C. . 5 Myler Peter J. . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_name_full 'Biomolecular NMR assignments' _Journal_volume 3 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 163 _Page_last 166 _Year 2009 _Details . loop_ _Keyword 'host-pathogen interactions' melioidosis 'Seattle Structural Genomics Center for Infectious Disease' SSGCID 'structural biology' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name Bp-Ohr _Enzyme_commission_number YP_336021.1 loop_ _Mol_system_component_name _Mol_label 'Bp-Ohr, chain 1' $organic_hydroperoxide_resistance_protein_(Ohr) 'Bp-Ohr, chain 2' $organic_hydroperoxide_resistance_protein_(Ohr) stop_ _System_molecular_weight 14400 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . loop_ _Biological_function 'organic hydroperoxide reductase' stop_ _Database_query_date . _Details 'Protein is a homodimer' save_ ######################## # Monomeric polymers # ######################## save_organic_hydroperoxide_resistance_protein_(Ohr) _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common organic_hydroperoxide_resistance_protein_(Ohr) _Molecular_mass . _Mol_thiol_state 'all free' loop_ _Biological_function 'putative organic hydroperoxide resistance protein' stop_ _Details 'the solution contains 1 mM DTT and it is suspected that the disulfide bonds are all free, but this was not confirmed.' ############################## # Polymer residue sequence # ############################## _Residue_count 160 _Mol_residue_sequence ; MAHHHHHHMGTLEAQTQGPG SMNILYKTAATSTGGRDGRA TSHDQKLDVKLSAPRELGGA GAEGTNPEQLFAAGYSACFL SAMKFVAGQNKQTLPADTTV TAEVGIGPNEEGGFALDVEL RVALPGLDAAAAKTLVDRAH HVCPYSNATRNNVAVRLVVA ; loop_ _Residue_seq_code _Residue_label 1 MET 2 ALA 3 HIS 4 HIS 5 HIS 6 HIS 7 HIS 8 HIS 9 MET 10 GLY 11 THR 12 LEU 13 GLU 14 ALA 15 GLN 16 THR 17 GLN 18 GLY 19 PRO 20 GLY 21 SER 22 MET 23 ASN 24 ILE 25 LEU 26 TYR 27 LYS 28 THR 29 ALA 30 ALA 31 THR 32 SER 33 THR 34 GLY 35 GLY 36 ARG 37 ASP 38 GLY 39 ARG 40 ALA 41 THR 42 SER 43 HIS 44 ASP 45 GLN 46 LYS 47 LEU 48 ASP 49 VAL 50 LYS 51 LEU 52 SER 53 ALA 54 PRO 55 ARG 56 GLU 57 LEU 58 GLY 59 GLY 60 ALA 61 GLY 62 ALA 63 GLU 64 GLY 65 THR 66 ASN 67 PRO 68 GLU 69 GLN 70 LEU 71 PHE 72 ALA 73 ALA 74 GLY 75 TYR 76 SER 77 ALA 78 CYS 79 PHE 80 LEU 81 SER 82 ALA 83 MET 84 LYS 85 PHE 86 VAL 87 ALA 88 GLY 89 GLN 90 ASN 91 LYS 92 GLN 93 THR 94 LEU 95 PRO 96 ALA 97 ASP 98 THR 99 THR 100 VAL 101 THR 102 ALA 103 GLU 104 VAL 105 GLY 106 ILE 107 GLY 108 PRO 109 ASN 110 GLU 111 GLU 112 GLY 113 GLY 114 PHE 115 ALA 116 LEU 117 ASP 118 VAL 119 GLU 120 LEU 121 ARG 122 VAL 123 ALA 124 LEU 125 PRO 126 GLY 127 LEU 128 ASP 129 ALA 130 ALA 131 ALA 132 ALA 133 LYS 134 THR 135 LEU 136 VAL 137 ASP 138 ARG 139 ALA 140 HIS 141 HIS 142 VAL 143 CYS 144 PRO 145 TYR 146 SER 147 ASN 148 ALA 149 THR 150 ARG 151 ASN 152 ASN 153 VAL 154 ALA 155 VAL 156 ARG 157 LEU 158 VAL 159 VAL 160 ALA stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-04-25 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 EMBL CAH39258 "organic hydroperoxide resistance protein [Burkholderia pseudomallei K96243]" 86.88 139 100.00 100.00 5.15e-95 EMBL CDU31823 "organic hydroperoxide resistance protein [Burkholderia pseudomallei]" 86.88 139 100.00 100.00 5.15e-95 EMBL CFB51471 "organic hydroperoxide resistance protein [Burkholderia pseudomallei]" 86.88 139 100.00 100.00 5.15e-95 EMBL CFD89896 "organic hydroperoxide resistance protein [Burkholderia pseudomallei]" 86.88 139 100.00 100.00 5.15e-95 EMBL CFD92517 "organic hydroperoxide resistance protein [Burkholderia pseudomallei]" 86.88 139 100.00 100.00 5.15e-95 GB AAU46184 "organic hydroperoxide resistance protein [Burkholderia mallei ATCC 23344]" 86.88 139 99.28 100.00 2.11e-94 GB ABA51242 "organic hydroperoxide resistance protein [Burkholderia pseudomallei 1710b]" 86.88 139 100.00 100.00 5.15e-95 GB ABM49396 "organic hydroperoxide resistance protein [Burkholderia mallei SAVP1]" 86.88 139 99.28 100.00 2.11e-94 GB ABM99747 "organic hydroperoxide resistance protein [Burkholderia mallei NCTC 10229]" 86.88 139 98.56 99.28 7.81e-94 GB ABN87360 "conserved hypothetical protein [Burkholderia pseudomallei 668]" 86.88 139 100.00 100.00 5.15e-95 REF WP_004190960 "organic hydroperoxide resistance protein [Burkholderia mallei]" 86.88 139 99.28 100.00 2.11e-94 REF WP_004529046 "MULTISPECIES: organic hydroperoxide resistance protein [Burkholderia]" 86.88 139 100.00 100.00 5.15e-95 REF WP_004540142 "organic hydroperoxide resistance protein [Burkholderia pseudomallei]" 86.88 139 99.28 100.00 9.59e-95 REF WP_011832128 "organic hydroperoxide resistance protein [Burkholderia mallei]" 86.88 139 98.56 99.28 7.81e-94 REF WP_038742729 "organic hydroperoxide resistance protein [Burkholderia pseudomallei]" 86.88 139 98.56 99.28 4.88e-94 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Strain $organic_hydroperoxide_resistance_protein_(Ohr) 'Burkholderia pseudomallei' 28450 Bacteria . Burkholderia pseudomallei 1710b 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 $organic_hydroperoxide_resistance_protein_(Ohr) 'recombinant technology' . Escherichia coli BL21 AVA0421 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 $organic_hydroperoxide_resistance_protein_(Ohr) 1.20 mM '[U-99% 13C; U-99% 15N]' 'sodium chloride' 100 mM 'natural abundance' DTT 1 mM 'natural abundance' TRIS 20 mM 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $organic_hydroperoxide_resistance_protein_(Ohr) 1.20 mM '[U-99% 13C; U-100% 15N; U-50% 2H]' 'sodium chloride' 100 mM 'natural abundance' DTT 1 mM 'natural abundance' TRIS 20 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_Felix _Saveframe_category software _Name FELIX _Version 2007 loop_ _Vendor _Address _Electronic_address 'Accelrys Software Inc.' . . stop_ loop_ _Task processing stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version 3.115 loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_VNMR _Saveframe_category software _Name VNMR _Version . loop_ _Vendor _Address _Electronic_address Varian . . stop_ loop_ _Task collection stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 750 _Details . save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_2 save_ save_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_2 save_ save_3D_HNCO_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_2 save_ save_3D_CBCA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_2 save_ save_3D_C(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_2 save_ save_3D_HBHA(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_2 save_ save_3D_H(CCO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_2 save_ save_3D_1H-15N_NOESY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ save_3D_HN(COCA)CB_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(COCA)CB' _Sample_label $sample_2 save_ save_3D_H(CCO)NH_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_2 save_ save_3D_HNCACB_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _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' 0.1 0.15 M pH 7.1 0.1 pH pressure 1 . atm temperature 298 0.2 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details 'The protein was ~50% deuterated but no corrections were made to the carbon chemical shifts.' 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 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 . 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 $Felix $SPARKY stop_ loop_ _Experiment_label '3D HNCO' '3D H(CCO)NH' '3D 1H-15N NOESY' '3D 1H-13C NOESY' stop_ loop_ _Sample_label $sample_2 $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'Bp-Ohr, chain 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 9 9 MET CA C 55.6 0.2 1 2 9 9 MET CB C 32.5 0.2 1 3 10 10 GLY C C 174.2 0.1 1 4 10 10 GLY CA C 45.2 0.2 1 5 11 11 THR H H 8.03 0.2 1 6 11 11 THR C C 174.6 0.1 1 7 11 11 THR CA C 61.8 0.2 1 8 11 11 THR CB C 69.6 0.2 1 9 11 11 THR CG2 C 21.5 0.2 1 10 11 11 THR N N 113.8 0.2 1 11 12 12 LEU H H 8.32 0.02 1 12 12 12 LEU CA C 55.3 0.2 1 13 12 12 LEU CB C 41.9 0.2 1 14 12 12 LEU N N 124.3 0.2 1 15 13 13 GLU H H 8.38 0.02 1 16 13 13 GLU HA H 4.20 0.02 1 17 13 13 GLU HB2 H 2.01 0.02 2 18 13 13 GLU HB3 H 1.91 0.02 2 19 13 13 GLU HG2 H 2.26 0.02 2 20 13 13 GLU HG3 H 2.26 0.02 2 21 13 13 GLU C C 176.2 0.1 1 22 13 13 GLU CA C 56.9 0.2 1 23 13 13 GLU CB C 30.7 0.2 1 24 13 13 GLU CG C 36.3 0.2 1 25 13 13 GLU N N 121.7 0.1 1 26 14 14 ALA H H 8.24 0.02 1 27 14 14 ALA HA H 4.24 0.02 1 28 14 14 ALA HB H 1.39 0.02 1 29 14 14 ALA C C 177.5 0.1 1 30 14 14 ALA CA C 52.7 0.2 1 31 14 14 ALA CB C 19.1 0.2 1 32 14 14 ALA N N 124.5 0.2 1 33 15 15 GLN H H 8.34 0.02 1 34 15 15 GLN HA H 4.37 0.02 1 35 15 15 GLN HB2 H 2.14 0.02 2 36 15 15 GLN HB3 H 2.02 0.02 2 37 15 15 GLN HG2 H 2.39 0.02 2 38 15 15 GLN HG3 H 2.39 0.02 2 39 15 15 GLN C C 176.2 0.1 1 40 15 15 GLN CA C 56.1 0.2 1 41 15 15 GLN CB C 29.6 0.2 1 42 15 15 GLN CG C 33.8 0.2 1 43 15 15 GLN N N 119.5 0.2 1 44 16 16 THR H H 8.16 0.02 1 45 16 16 THR HA H 4.32 0.02 1 46 16 16 THR HB H 4.21 0.02 1 47 16 16 THR HG2 H 1.19 0.02 1 48 16 16 THR C C 174.4 0.1 1 49 16 16 THR CA C 61.9 0.2 1 50 16 16 THR CB C 69.8 0.2 1 51 16 16 THR CG2 C 21.5 0.2 1 52 16 16 THR N N 115.2 0.2 1 53 17 17 GLN H H 8.40 0.02 1 54 17 17 GLN HA H 4.34 0.02 1 55 17 17 GLN HB2 H 2.14 0.02 2 56 17 17 GLN HB3 H 2.00 0.02 2 57 17 17 GLN HG2 H 2.38 0.02 2 58 17 17 GLN HG3 H 2.38 0.02 2 59 17 17 GLN C C 175.8 0.1 1 60 17 17 GLN CA C 55.6 0.2 1 61 17 17 GLN CB C 29.7 0.2 1 62 17 17 GLN CG C 33.4 0.2 1 63 17 17 GLN N N 122.6 0.2 1 64 18 18 GLY H H 8.31 0.02 1 65 18 18 GLY HA2 H 4.17 0.02 2 66 18 18 GLY HA3 H 4.06 0.02 2 67 18 18 GLY CA C 44.5 0.2 1 68 18 18 GLY N N 110.4 0.2 1 69 19 19 PRO HA H 4.42 0.02 1 70 19 19 PRO HB2 H 2.26 0.02 2 71 19 19 PRO HB3 H 1.99 0.02 2 72 19 19 PRO HD2 H 3.62 0.02 2 73 19 19 PRO HD3 H 3.62 0.02 2 74 19 19 PRO HG2 H 2.00 0.02 2 75 19 19 PRO HG3 H 2.00 0.02 2 76 19 19 PRO C C 177.6 0.1 1 77 19 19 PRO CA C 63.5 0.2 1 78 19 19 PRO CB C 32.1 0.2 1 79 19 19 PRO CD C 49.4 0.2 1 80 19 19 PRO CG C 27.2 0.2 1 81 20 20 GLY H H 8.55 0.02 1 82 20 20 GLY HA2 H 3.96 0.02 2 83 20 20 GLY HA3 H 3.96 0.02 2 84 20 20 GLY C C 174.2 0.2 1 85 20 20 GLY CA C 45.2 0.2 1 86 20 20 GLY N N 109.7 0.2 1 87 21 21 SER H H 8.14 0.02 1 88 21 21 SER HA H 4.40 0.02 1 89 21 21 SER HB2 H 3.80 0.02 2 90 21 21 SER HB3 H 3.80 0.02 2 91 21 21 SER C C 174.1 0.1 1 92 21 21 SER CA C 58.3 0.2 1 93 21 21 SER CB C 64.0 0.2 1 94 21 21 SER N N 115.5 0.2 1 95 22 22 MET H H 8.27 0.02 1 96 22 22 MET HA H 4.44 0.02 1 97 22 22 MET HB2 H 1.92 0.02 2 98 22 22 MET HB3 H 1.92 0.02 2 99 22 22 MET HE H 1.84 0.02 1 100 22 22 MET HG2 H 2.42 0.02 2 101 22 22 MET HG3 H 2.34 0.02 2 102 22 22 MET C C 175.1 0.1 1 103 22 22 MET CA C 55.3 0.2 1 104 22 22 MET CB C 33.7 0.2 1 105 22 22 MET CE C 16.9 0.2 1 106 22 22 MET CG C 31.6 0.2 1 107 22 22 MET N N 121.6 0.2 1 108 23 23 ASN H H 8.54 0.02 1 109 23 23 ASN HA H 4.67 0.02 1 110 23 23 ASN HB2 H 2.75 0.02 2 111 23 23 ASN HB3 H 2.64 0.02 2 112 23 23 ASN HD21 H 7.42 0.02 2 113 23 23 ASN HD22 H 6.84 0.02 2 114 23 23 ASN C C 173.5 0.1 1 115 23 23 ASN CA C 52.7 0.2 1 116 23 23 ASN CB C 38.8 0.2 1 117 23 23 ASN N N 122.2 0.2 1 118 23 23 ASN ND2 N 112.0 0.2 1 119 24 24 ILE H H 8.06 0.02 1 120 24 24 ILE HA H 3.89 0.02 1 121 24 24 ILE HB H 1.87 0.02 1 122 24 24 ILE HD1 H 0.63 0.02 1 123 24 24 ILE HG12 H 1.39 0.02 2 124 24 24 ILE HG13 H 1.15 0.02 2 125 24 24 ILE HG2 H 0.74 0.02 1 126 24 24 ILE C C 176.4 0.2 1 127 24 24 ILE CA C 60.1 0.2 1 128 24 24 ILE CB C 37.2 0.2 1 129 24 24 ILE CD1 C 11.4 0.2 1 130 24 24 ILE CG1 C 27.1 0.2 1 131 24 24 ILE CG2 C 18.4 0.2 1 132 24 24 ILE N N 122.4 0.2 1 133 25 25 LEU H H 9.09 0.02 1 134 25 25 LEU HA H 4.41 0.02 1 135 25 25 LEU HB2 H 1.71 0.02 2 136 25 25 LEU HB3 H 1.52 0.02 2 137 25 25 LEU HD2 H 0.71 0.02 2 138 25 25 LEU HG H 1.03 0.02 1 139 25 25 LEU C C 176.5 0.1 1 140 25 25 LEU CA C 55.9 0.2 1 141 25 25 LEU CB C 44.2 0.2 1 142 25 25 LEU CD1 C 22.0 0.2 2 143 25 25 LEU CD2 C 22.0 0.2 2 144 25 25 LEU CG C 25.6 0.2 1 145 25 25 LEU N N 127.7 0.2 1 146 26 26 TYR H H 7.36 0.02 1 147 26 26 TYR HB2 H 2.89 0.02 2 148 26 26 TYR HB3 H 2.36 0.02 2 149 26 26 TYR HD1 H 6.91 0.02 3 150 26 26 TYR HD2 H 6.91 0.02 3 151 26 26 TYR C C 171.6 0.1 1 152 26 26 TYR CA C 54.3 0.2 1 153 26 26 TYR CB C 41.9 0.2 1 154 26 26 TYR CD1 C 132.7 0.2 3 155 26 26 TYR CD2 C 132.7 0.2 3 156 26 26 TYR N N 116.9 0.2 1 157 27 27 LYS H H 7.63 0.02 1 158 27 27 LYS HA H 4.96 0.02 1 159 27 27 LYS HB2 H 1.47 0.02 2 160 27 27 LYS HB3 H 1.34 0.02 2 161 27 27 LYS HD2 H 1.43 0.02 2 162 27 27 LYS HD3 H 1.43 0.02 2 163 27 27 LYS HE2 H 2.74 0.02 2 164 27 27 LYS HE3 H 2.74 0.02 2 165 27 27 LYS HG2 H 1.14 0.02 2 166 27 27 LYS HG3 H 1.08 0.02 2 167 27 27 LYS C C 172.6 0.1 1 168 27 27 LYS CA C 54.5 0.2 1 169 27 27 LYS CB C 36.2 0.2 1 170 27 27 LYS CD C 29.6 0.2 1 171 27 27 LYS CE C 41.9 0.2 1 172 27 27 LYS CG C 24.3 0.2 1 173 27 27 LYS N N 126.4 0.2 1 174 28 28 THR H H 8.34 0.02 1 175 28 28 THR HA H 4.45 0.02 1 176 28 28 THR HB H 4.10 0.02 1 177 28 28 THR HG2 H 1.10 0.02 1 178 28 28 THR C C 170.4 0.1 1 179 28 28 THR CA C 59.5 0.2 1 180 28 28 THR CB C 69.3 0.2 1 181 28 28 THR CG2 C 18.2 0.2 1 182 28 28 THR N N 117.8 0.2 1 183 29 29 ALA H H 7.85 0.02 1 184 29 29 ALA HA H 5.69 0.02 1 185 29 29 ALA HB H 0.80 0.02 1 186 29 29 ALA CA C 50.1 0.2 1 187 29 29 ALA CB C 22.7 0.2 1 188 29 29 ALA N N 123.7 0.2 1 189 30 30 ALA H H 8.42 0.2 1 190 30 30 ALA HA H 5.01 0.02 1 191 30 30 ALA HB H 0.98 0.02 1 192 30 30 ALA C C 174.4 0.1 1 193 30 30 ALA CA C 51.2 0.2 1 194 30 30 ALA CB C 21.4 0.2 1 195 30 30 ALA N N 119.1 0.2 1 196 31 31 THR H H 8.40 0.02 1 197 31 31 THR HA H 5.37 0.2 1 198 31 31 THR HB H 3.96 0.02 1 199 31 31 THR HG2 H 1.17 0.2 1 200 31 31 THR C C 174.1 0.1 1 201 31 31 THR CA C 62.4 0.2 1 202 31 31 THR CB C 72.0 0.2 1 203 31 31 THR CG2 C 21.6 0.2 1 204 31 31 THR N N 116.7 0.2 1 205 32 32 SER H H 9.28 0.02 1 206 32 32 SER HA H 5.61 0.02 1 207 32 32 SER C C 173.4 0.1 1 208 32 32 SER CA C 57.9 0.2 1 209 32 32 SER CB C 65.2 0.2 1 210 32 32 SER N N 124.2 0.2 1 211 33 33 THR H H 8.37 0.02 1 212 33 33 THR HA H 4.55 0.02 1 213 33 33 THR HB H 4.13 0.02 1 214 33 33 THR HG2 H 1.25 0.02 1 215 33 33 THR C C 175.9 0.1 1 216 33 33 THR CA C 60.1 0.2 1 217 33 33 THR CB C 70.7 0.2 1 218 33 33 THR CG2 C 21.0 0.2 1 219 33 33 THR N N 115.6 0.2 1 220 34 34 GLY H H 9.33 0.02 1 221 34 34 GLY HA2 H 3.59 0.02 2 222 34 34 GLY HA3 H 3.59 0.02 2 223 34 34 GLY C C 175.1 0.1 1 224 34 34 GLY CA C 47.3 0.2 1 225 34 34 GLY N N 116.2 0.2 1 226 35 35 GLY H H 7.78 0.02 1 227 35 35 GLY HA2 H 4.13 0.02 2 228 35 35 GLY HA3 H 4.13 0.02 2 229 35 35 GLY C C 173.3 0.2 1 230 35 35 GLY CA C 45.2 0.2 1 231 35 35 GLY N N 110.7 0.2 1 232 36 36 ARG H H 8.95 0.2 1 233 36 36 ARG C C 175.8 0.1 1 234 36 36 ARG CA C 58.9 0.2 1 235 36 36 ARG CB C 28.9 0.2 1 236 36 36 ARG N N 122.9 0.2 1 237 37 37 ASP H H 7.15 0.02 1 238 37 37 ASP HA H 5.25 0.02 1 239 37 37 ASP HB2 H 2.59 0.02 2 240 37 37 ASP HB3 H 2.43 0.02 2 241 37 37 ASP C C 175.3 0.1 1 242 37 37 ASP CA C 53.8 0.2 1 243 37 37 ASP CB C 42.4 0.2 1 244 37 37 ASP N N 116.3 0.2 1 245 38 38 GLY H H 8.29 0.02 1 246 38 38 GLY HA2 H 4.13 0.2 2 247 38 38 GLY HA3 H 4.13 0.2 2 248 38 38 GLY C C 172.5 0.1 1 249 38 38 GLY CA C 46.8 0.2 1 250 38 38 GLY N N 110.3 0.2 1 251 39 39 ARG H H 8.66 0.02 1 252 39 39 ARG HA H 5.17 0.02 1 253 39 39 ARG HB2 H 1.69 0.02 2 254 39 39 ARG HB3 H 1.69 0.02 2 255 39 39 ARG HD2 H 3.16 0.02 2 256 39 39 ARG HD3 H 3.01 0.02 2 257 39 39 ARG HG2 H 1.59 0.02 2 258 39 39 ARG HG3 H 1.47 0.02 2 259 39 39 ARG C C 173.6 0.1 1 260 39 39 ARG CA C 55.3 0.2 1 261 39 39 ARG CB C 34.6 0.2 1 262 39 39 ARG CD C 43.7 0.2 1 263 39 39 ARG CG C 26.7 0.2 1 264 39 39 ARG N N 127.3 0.2 1 265 40 40 ALA H H 8.73 0.02 1 266 40 40 ALA HA H 5.44 0.02 1 267 40 40 ALA HB H 1.17 0.02 1 268 40 40 ALA C C 176.0 0.1 1 269 40 40 ALA CA C 51.4 0.2 1 270 40 40 ALA CB C 22.7 0.2 1 271 40 40 ALA N N 127.1 0.2 1 272 41 41 THR H H 8.09 0.02 1 273 41 41 THR HA H 5.45 0.02 1 274 41 41 THR HB H 3.79 0.02 1 275 41 41 THR HG2 H 1.51 0.02 1 276 41 41 THR C C 175.9 0.1 1 277 41 41 THR CA C 60.6 0.2 1 278 41 41 THR CB C 72.5 0.2 1 279 41 41 THR CG2 C 21.7 0.2 1 280 41 41 THR N N 114.4 0.2 1 281 42 42 SER H H 10.01 0.02 1 282 42 42 SER HA H 5.20 0.02 1 283 42 42 SER C C 177.0 0.1 1 284 42 42 SER CA C 58.6 0.2 1 285 42 42 SER CB C 64.1 0.2 1 286 42 42 SER N N 124.0 0.2 1 287 43 43 HIS H H 8.70 0.02 1 288 43 43 HIS HA H 4.54 0.02 1 289 43 43 HIS HB2 H 3.23 0.02 2 290 43 43 HIS HB3 H 3.23 0.02 2 291 43 43 HIS C C 175.3 0.1 1 292 43 43 HIS CA C 58.6 0.2 1 293 43 43 HIS CB C 29.6 0.2 1 294 43 43 HIS N N 122.7 0.2 1 295 44 44 ASP H H 7.78 0.02 1 296 44 44 ASP HA H 4.58 0.02 1 297 44 44 ASP HB2 H 3.21 0.02 2 298 44 44 ASP HB3 H 2.53 0.02 2 299 44 44 ASP C C 176.1 0.1 1 300 44 44 ASP CA C 52.5 0.2 1 301 44 44 ASP CB C 40.9 0.2 1 302 44 44 ASP N N 116.6 0.2 1 303 45 45 GLN H H 8.00 0.02 1 304 45 45 GLN HA H 3.59 0.02 1 305 45 45 GLN HB2 H 2.39 0.02 2 306 45 45 GLN HB3 H 2.31 0.02 2 307 45 45 GLN HE21 H 7.42 0.02 2 308 45 45 GLN HE22 H 6.71 0.02 2 309 45 45 GLN HG2 H 2.29 0.02 2 310 45 45 GLN HG3 H 2.29 0.02 2 311 45 45 GLN C C 174.9 0.1 1 312 45 45 GLN CA C 58.1 0.2 1 313 45 45 GLN CB C 27.0 0.2 1 314 45 45 GLN CG C 35.1 0.2 1 315 45 45 GLN N N 112.4 0.2 1 316 45 45 GLN NE2 N 112.1 0.2 1 317 46 46 LYS H H 7.81 0.02 1 318 46 46 LYS HA H 4.02 0.02 1 319 46 46 LYS HE2 H 3.03 0.02 2 320 46 46 LYS HE3 H 3.03 0.02 2 321 46 46 LYS HG2 H 1.32 0.02 2 322 46 46 LYS HG3 H 1.32 0.02 2 323 46 46 LYS C C 175.8 0.1 1 324 46 46 LYS CA C 59.0 0.2 1 325 46 46 LYS CB C 32.0 0.2 1 326 46 46 LYS CD C 28.1 0.2 1 327 46 46 LYS CE C 42.6 0.2 1 328 46 46 LYS CG C 26.8 0.2 1 329 46 46 LYS N N 118.6 0.2 1 330 47 47 LEU H H 7.91 0.02 1 331 47 47 LEU HA H 4.59 0.02 1 332 47 47 LEU HD1 H 0.93 0.02 2 333 47 47 LEU HD2 H 0.79 0.02 2 334 47 47 LEU HG H 1.02 0.02 1 335 47 47 LEU C C 174.4 0.1 1 336 47 47 LEU CA C 53.5 0.2 1 337 47 47 LEU CB C 44.2 0.2 1 338 47 47 LEU CD1 C 23.7 0.2 2 339 47 47 LEU CG C 25.6 0.2 1 340 47 47 LEU N N 120.1 0.2 1 341 48 48 ASP H H 8.73 0.02 1 342 48 48 ASP HA H 5.29 0.02 1 343 48 48 ASP HB2 H 2.84 0.02 2 344 48 48 ASP HB3 H 2.49 0.02 2 345 48 48 ASP C C 175.1 0.1 1 346 48 48 ASP CA C 54.3 0.2 1 347 48 48 ASP CB C 41.7 0.2 1 348 48 48 ASP N N 128.3 0.2 1 349 49 49 VAL H H 8.96 0.02 1 350 49 49 VAL HA H 4.85 0.02 1 351 49 49 VAL HB H 2.08 0.02 1 352 49 49 VAL HG1 H 0.88 0.02 2 353 49 49 VAL HG2 H 0.79 0.02 2 354 49 49 VAL CA C 58.4 0.2 1 355 49 49 VAL CB C 35.3 0.2 1 356 49 49 VAL CG1 C 22.7 0.2 2 357 49 49 VAL CG2 C 18.3 0.2 2 358 49 49 VAL N N 115.7 0.2 1 359 50 50 LYS H H 8.51 0.02 1 360 50 50 LYS HA H 5.17 0.02 1 361 50 50 LYS HB2 H 1.87 0.02 2 362 50 50 LYS HB3 H 1.76 0.02 2 363 50 50 LYS HD2 H 1.36 0.02 2 364 50 50 LYS HD3 H 1.53 0.02 2 365 50 50 LYS HG2 H 0.80 0.02 2 366 50 50 LYS HG3 H 0.80 0.02 2 367 50 50 LYS C C 175.1 0.1 1 368 50 50 LYS CA C 55.3 0.2 1 369 50 50 LYS CB C 33.7 0.2 1 370 50 50 LYS CD C 25.4 0.2 1 371 50 50 LYS CE C 43.3 0.2 1 372 50 50 LYS CG C 25.0 0.2 1 373 50 50 LYS N N 123.1 0.2 1 374 51 51 LEU H H 8.72 0.02 1 375 51 51 LEU HB2 H 1.16 0.02 2 376 51 51 LEU HB3 H 1.16 0.02 2 377 51 51 LEU HD1 H 0.67 0.02 2 378 51 51 LEU HD2 H 0.50 0.02 2 379 51 51 LEU C C 176.3 0.1 1 380 51 51 LEU CA C 53.8 0.2 1 381 51 51 LEU CB C 42.4 0.2 1 382 51 51 LEU CD1 C 27.1 0.2 2 383 51 51 LEU CD2 C 26.2 0.2 2 384 51 51 LEU N N 126.8 0.2 1 385 52 52 SER H H 8.81 0.02 1 386 52 52 SER HA H 5.12 0.2 1 387 52 52 SER HB2 H 3.66 0.2 2 388 52 52 SER HB3 H 3.27 0.2 2 389 52 52 SER C C 174.1 0.1 1 390 52 52 SER CA C 57.1 0.2 1 391 52 52 SER CB C 66.2 0.2 1 392 52 52 SER N N 116.9 0.2 1 393 53 53 ALA H H 8.93 0.02 1 394 53 53 ALA HA H 4.71 0.02 1 395 53 53 ALA HB H 1.17 0.02 1 396 53 53 ALA CA C 49.9 0.2 1 397 53 53 ALA CB C 17.8 0.2 1 398 53 53 ALA N N 132.8 0.2 1 399 54 54 PRO C C 177.9 0.1 1 400 54 54 PRO CA C 61.8 0.2 1 401 54 54 PRO CB C 32.5 0.2 1 402 54 54 PRO CG C 26.4 0.2 1 403 55 55 ARG H H 9.23 0.02 1 404 55 55 ARG CA C 58.7 0.2 1 405 55 55 ARG CB C 29.2 0.2 1 406 55 55 ARG N N 125.3 0.2 1 407 56 56 GLU HA H 4.08 0.02 1 408 56 56 GLU HB2 H 2.35 0.02 2 409 56 56 GLU HB3 H 1.84 0.02 2 410 56 56 GLU HG2 H 3.07 0.02 2 411 56 56 GLU HG3 H 2.58 0.02 2 412 56 56 GLU C C 177.1 0.1 1 413 56 56 GLU CA C 60.7 0.2 1 414 56 56 GLU CB C 30.3 0.2 1 415 56 56 GLU CG C 38.3 0.2 1 416 57 57 LEU H H 7.14 0.02 1 417 57 57 LEU HA H 4.58 0.02 1 418 57 57 LEU HB2 H 1.85 0.02 2 419 57 57 LEU HB3 H 1.21 0.02 2 420 57 57 LEU HD1 H 0.72 0.02 2 421 57 57 LEU HD2 H 0.72 0.02 2 422 57 57 LEU HG H 0.67 0.02 1 423 57 57 LEU C C 176.4 0.1 1 424 57 57 LEU CA C 52.7 0.2 1 425 57 57 LEU CB C 41.7 0.2 1 426 57 57 LEU CD1 C 23.1 0.2 2 427 57 57 LEU CD2 C 23.1 0.2 2 428 57 57 LEU CG C 25.5 0.2 1 429 57 57 LEU N N 114.9 0.2 1 430 58 58 GLY H H 7.95 0.02 1 431 58 58 GLY HA2 H 4.23 0.02 2 432 58 58 GLY HA3 H 3.78 0.02 2 433 58 58 GLY C C 174.8 0.1 1 434 58 58 GLY CA C 45.4 0.2 1 435 58 58 GLY N N 107.8 0.2 1 436 59 59 GLY H H 7.62 0.02 1 437 59 59 GLY HA2 H 4.37 0.02 2 438 59 59 GLY HA3 H 3.62 0.02 2 439 59 59 GLY CA C 44.1 0.2 1 440 59 59 GLY N N 107.0 0.2 1 441 60 60 ALA H H 8.46 0.02 1 442 60 60 ALA HA H 4.37 0.02 1 443 60 60 ALA HB H 1.43 0.02 1 444 60 60 ALA C C 178.9 0.1 1 445 60 60 ALA CA C 52.3 0.2 1 446 60 60 ALA CB C 19.1 0.2 1 447 60 60 ALA N N 120.3 0.2 1 448 61 61 GLY H H 8.32 0.02 1 449 61 61 GLY HA2 H 3.96 0.02 2 450 61 61 GLY HA3 H 3.86 0.02 2 451 61 61 GLY C C 174.6 0.1 1 452 61 61 GLY CA C 46.5 0.2 1 453 61 61 GLY N N 106.8 0.2 1 454 62 62 ALA H H 8.18 0.02 1 455 62 62 ALA HA H 4.40 0.02 1 456 62 62 ALA HB H 1.48 0.02 1 457 62 62 ALA C C 176.8 0.1 1 458 62 62 ALA CA C 51.9 0.2 1 459 62 62 ALA CB C 18.6 0.2 1 460 62 62 ALA N N 123.0 0.2 1 461 63 63 GLU H H 8.55 0.02 1 462 63 63 GLU HA H 4.17 0.02 1 463 63 63 GLU HB2 H 2.04 0.02 2 464 63 63 GLU HB3 H 2.04 0.02 2 465 63 63 GLU HG2 H 2.35 0.02 2 466 63 63 GLU HG3 H 2.25 0.02 2 467 63 63 GLU C C 176.1 0.1 1 468 63 63 GLU CA C 57.9 0.2 1 469 63 63 GLU CB C 29.9 0.2 1 470 63 63 GLU CG C 36.0 0.2 1 471 63 63 GLU N N 118.7 0.2 1 472 64 64 GLY H H 8.06 0.02 1 473 64 64 GLY HA2 H 3.98 0.02 2 474 64 64 GLY HA3 H 3.98 0.02 2 475 64 64 GLY C C 173.5 0.1 1 476 64 64 GLY CA C 44.4 0.2 1 477 64 64 GLY N N 110.0 0.2 1 478 65 65 THR H H 8.34 0.02 1 479 65 65 THR HA H 3.78 0.02 1 480 65 65 THR HB H 4.12 0.02 1 481 65 65 THR HG2 H 1.18 0.02 1 482 65 65 THR C C 172.5 0.1 1 483 65 65 THR CA C 58.6 0.2 1 484 65 65 THR CB C 69.4 0.2 1 485 65 65 THR CG2 C 18.7 0.2 1 486 65 65 THR N N 113.4 0.2 1 487 66 66 ASN H H 9.42 0.02 1 488 66 66 ASN CA C 52.5 0.2 1 489 66 66 ASN CB C 39.8 0.2 1 490 66 66 ASN N N 115.0 0.2 1 491 67 67 PRO C C 175.2 0.1 1 492 67 67 PRO CA C 65.9 0.2 1 493 67 67 PRO CB C 29.4 0.2 1 494 68 68 GLU H H 7.61 0.02 1 495 68 68 GLU HA H 4.39 0.02 1 496 68 68 GLU HB2 H 2.13 0.02 2 497 68 68 GLU HB3 H 1.99 0.02 2 498 68 68 GLU C C 178.0 0.1 1 499 68 68 GLU CA C 61.5 0.2 1 500 68 68 GLU CB C 29.6 0.2 1 501 68 68 GLU N N 117.2 0.2 1 502 69 69 GLN H H 8.16 0.02 1 503 69 69 GLN HA H 3.76 0.02 1 504 69 69 GLN CA C 60.3 0.2 1 505 69 69 GLN CB C 28.1 0.2 1 506 69 69 GLN N N 120.5 0.2 1 507 70 70 LEU HD1 H 0.99 0.02 2 508 70 70 LEU HD2 H 1.02 0.02 2 509 70 70 LEU C C 178.0 0.1 1 510 71 71 PHE H H 8.63 0.02 1 511 71 71 PHE HA H 4.31 0.02 1 512 71 71 PHE HB2 H 3.54 0.02 2 513 71 71 PHE HB3 H 3.22 0.02 2 514 71 71 PHE HD1 H 7.28 0.02 3 515 71 71 PHE HD2 H 7.28 0.02 3 516 71 71 PHE C C 176.4 0.1 1 517 71 71 PHE CA C 60.1 0.2 1 518 71 71 PHE CB C 39.7 0.2 1 519 71 71 PHE CD1 C 132.1 0.2 3 520 71 71 PHE CD2 C 132.1 0.2 3 521 71 71 PHE N N 118.3 0.2 1 522 72 72 ALA H H 8.66 0.02 1 523 72 72 ALA HA H 3.56 0.02 1 524 72 72 ALA HB H 1.54 0.02 1 525 72 72 ALA C C 180.2 0.1 1 526 72 72 ALA CA C 55.1 0.2 1 527 72 72 ALA CB C 18.1 0.2 1 528 72 72 ALA N N 120.6 0.2 1 529 73 73 ALA H H 8.47 0.02 1 530 73 73 ALA HA H 3.45 0.02 1 531 73 73 ALA HB H 1.20 0.02 1 532 73 73 ALA C C 176.7 0.1 1 533 73 73 ALA CA C 54.9 0.2 1 534 73 73 ALA CB C 18.8 0.2 1 535 73 73 ALA N N 121.3 0.2 1 536 74 74 GLY H H 8.06 0.02 1 537 74 74 GLY C C 173.9 0.1 1 538 74 74 GLY CA C 47.8 0.2 1 539 74 74 GLY N N 103.2 0.2 1 540 75 75 TYR H H 8.79 0.02 1 541 75 75 TYR HA H 3.89 0.02 1 542 75 75 TYR HB2 H 2.38 0.02 2 543 75 75 TYR HB3 H 2.09 0.02 2 544 75 75 TYR HD1 H 6.93 0.02 3 545 75 75 TYR HD2 H 6.93 0.02 3 546 75 75 TYR HE1 H 6.87 0.02 3 547 75 75 TYR HE2 H 6.87 0.02 3 548 75 75 TYR C C 178.8 0.1 1 549 75 75 TYR CA C 57.4 0.2 1 550 75 75 TYR CB C 36.9 0.2 1 551 75 75 TYR CD1 C 131.0 0.2 3 552 75 75 TYR CD2 C 131.0 0.2 3 553 75 75 TYR CE1 C 117.3 0.2 3 554 75 75 TYR CE2 C 117.3 0.2 3 555 75 75 TYR N N 120.9 0.2 1 556 76 76 SER H H 7.82 0.02 1 557 76 76 SER HA H 3.53 0.02 1 558 76 76 SER C C 175.6 0.1 1 559 76 76 SER CA C 62.5 0.2 1 560 76 76 SER CB C 68.8 0.2 1 561 76 76 SER N N 112.1 0.2 1 562 77 77 ALA H H 7.30 0.02 1 563 77 77 ALA HA H 3.83 0.03 1 564 77 77 ALA HB H 1.19 0.02 1 565 77 77 ALA CA C 54.8 0.2 1 566 77 77 ALA CB C 20.2 0.2 1 567 77 77 ALA N N 124.7 0.2 1 568 81 81 SER C C 176.4 0.1 1 569 82 82 ALA H H 9.45 0.02 1 570 82 82 ALA HA H 4.29 0.02 1 571 82 82 ALA HB H 1.52 0.02 1 572 82 82 ALA C C 179.3 0.1 1 573 82 82 ALA CA C 55.1 0.2 1 574 82 82 ALA CB C 17.5 0.2 1 575 82 82 ALA N N 129.9 0.02 1 576 83 83 MET H H 8.27 0.02 1 577 83 83 MET HA H 3.88 0.02 1 578 83 83 MET HE H 1.99 0.02 1 579 83 83 MET CA C 60.1 0.2 1 580 83 83 MET CB C 33.6 0.2 1 581 83 83 MET CE C 16.7 0.2 1 582 83 83 MET N N 118.4 0.2 1 583 84 84 LYS CA C 58.3 0.2 1 584 84 84 LYS CB C 35.1 0.2 1 585 85 85 PHE H H 8.52 0.02 1 586 85 85 PHE HA H 4.38 0.02 1 587 85 85 PHE HB2 H 3.50 0.02 2 588 85 85 PHE HB3 H 3.36 0.02 2 589 85 85 PHE HD1 H 7.29 0.02 3 590 85 85 PHE HD2 H 7.29 0.02 3 591 85 85 PHE HE1 H 7.40 0.02 3 592 85 85 PHE HE2 H 7.40 0.02 3 593 85 85 PHE CA C 60.8 0.2 1 594 85 85 PHE CB C 39.3 0.2 1 595 85 85 PHE CD1 C 132.1 0.2 3 596 85 85 PHE CD2 C 132.1 0.2 3 597 85 85 PHE CE1 C 131.8 0.2 3 598 85 85 PHE CE2 C 131.8 0.2 3 599 85 85 PHE N N 123.1 0.2 1 600 86 86 VAL H H 8.40 0.02 1 601 86 86 VAL HA H 3.58 0.02 1 602 86 86 VAL HB H 2.16 0.02 1 603 86 86 VAL HG1 H 1.19 0.02 2 604 86 86 VAL HG2 H 0.99 0.02 2 605 86 86 VAL C C 179.0 0.1 1 606 86 86 VAL CA C 66.1 0.2 1 607 86 86 VAL CB C 31.8 0.2 1 608 86 86 VAL CG1 C 21.7 0.2 2 609 86 86 VAL CG2 C 21.7 0.2 2 610 86 86 VAL N N 120.5 0.2 1 611 87 87 ALA H H 8.77 0.02 1 612 87 87 ALA HA H 4.14 0.02 1 613 87 87 ALA HB H 1.34 0.02 1 614 87 87 ALA C C 180.0 0.1 1 615 87 87 ALA CA C 55.1 0.2 1 616 87 87 ALA CB C 17.4 0.2 1 617 87 87 ALA N N 123.4 0.2 1 618 88 88 GLY H H 8.29 0.02 1 619 88 88 GLY HA2 H 3.98 0.02 2 620 88 88 GLY HA3 H 3.98 0.02 2 621 88 88 GLY C C 177.8 0.1 1 622 88 88 GLY CA C 46.8 0.2 1 623 88 88 GLY N N 105.9 0.2 1 624 89 89 GLN H H 7.65 0.02 1 625 89 89 GLN HA H 4.03 0.02 1 626 89 89 GLN HB2 H 2.15 0.02 2 627 89 89 GLN HB3 H 2.01 0.02 2 628 89 89 GLN HE21 H 6.80 0.02 2 629 89 89 GLN HE22 H 6.77 0.02 2 630 89 89 GLN HG2 H 2.15 0.02 2 631 89 89 GLN HG3 H 2.01 0.02 2 632 89 89 GLN C C 176.8 0.1 1 633 89 89 GLN CA C 58.4 0.2 1 634 89 89 GLN CB C 28.5 0.2 1 635 89 89 GLN CG C 34.1 0.2 1 636 89 89 GLN N N 121.8 0.2 1 637 89 89 GLN NE2 N 112.3 0.2 1 638 90 90 ASN H H 7.50 0.02 1 639 90 90 ASN HA H 4.89 0.02 1 640 90 90 ASN HB2 H 3.00 0.02 2 641 90 90 ASN HB3 H 2.59 0.02 2 642 90 90 ASN HD21 H 7.46 0.02 2 643 90 90 ASN HD22 H 6.91 0.02 2 644 90 90 ASN C C 173.6 0.1 1 645 90 90 ASN CA C 52.8 0.2 1 646 90 90 ASN CB C 39.7 0.2 1 647 90 90 ASN N N 116.2 0.2 1 648 90 90 ASN ND2 N 113.1 0.2 1 649 91 91 LYS H H 7.88 0.02 1 650 91 91 LYS HA H 3.94 0.02 1 651 91 91 LYS HB2 H 2.00 0.02 2 652 91 91 LYS HB3 H 2.00 0.02 2 653 91 91 LYS HE2 H 3.01 0.02 2 654 91 91 LYS HE3 H 3.01 0.02 2 655 91 91 LYS HG2 H 1.34 0.02 2 656 91 91 LYS HG3 H 1.34 0.02 2 657 91 91 LYS C C 175.1 0.1 1 658 91 91 LYS CA C 57.4 0.2 1 659 91 91 LYS CB C 29.1 0.2 1 660 91 91 LYS CE C 42.1 0.2 1 661 91 91 LYS CG C 25.0 0.2 1 662 91 91 LYS N N 114.8 0.2 1 663 92 92 GLN H H 8.13 0.02 1 664 92 92 GLN HA H 4.67 0.02 1 665 92 92 GLN HB2 H 2.00 0.02 2 666 92 92 GLN HB3 H 1.87 0.02 2 667 92 92 GLN HE21 H 7.49 0.02 2 668 92 92 GLN HE22 H 6.54 0.02 2 669 92 92 GLN HG2 H 2.27 0.02 2 670 92 92 GLN HG3 H 2.27 0.02 2 671 92 92 GLN C C 175.2 0.1 1 672 92 92 GLN CA C 54.0 0.2 1 673 92 92 GLN CB C 31.7 0.2 1 674 92 92 GLN CG C 33.9 0.2 1 675 92 92 GLN N N 118.0 0.2 1 676 92 92 GLN NE2 N 110.3 0.2 1 677 93 93 THR H H 8.43 0.02 1 678 93 93 THR HA H 4.41 0.02 1 679 93 93 THR HB H 4.03 0.02 1 680 93 93 THR HG2 H 1.19 0.02 1 681 93 93 THR C C 174.0 0.1 1 682 93 93 THR CA C 60.5 0.2 1 683 93 93 THR CB C 70.7 0.2 1 684 93 93 THR CG2 C 21.3 0.2 1 685 93 93 THR N N 116.9 0.2 1 686 94 94 LEU H H 9.03 0.2 1 687 94 94 LEU HA H 4.56 0.02 1 688 94 94 LEU HB2 H 1.56 0.02 2 689 94 94 LEU HB3 H 1.56 0.02 2 690 94 94 LEU HD1 H 0.86 0.02 2 691 94 94 LEU HD2 H 0.77 0.02 2 692 94 94 LEU CA C 52.2 0.2 1 693 94 94 LEU CB C 40.7 0.2 1 694 94 94 LEU N N 125.1 0.2 1 695 95 95 PRO HA H 4.58 0.02 1 696 95 95 PRO HB2 H 2.00 0.02 2 697 95 95 PRO HB3 H 2.00 0.02 2 698 95 95 PRO HD2 H 3.76 0.02 2 699 95 95 PRO HD3 H 3.50 0.02 2 700 95 95 PRO CD C 50.0 0.2 1 701 96 96 ALA HA H 4.17 0.02 1 702 96 96 ALA HB H 1.48 0.02 1 703 96 96 ALA C C 178.0 0.1 1 704 96 96 ALA CA C 54.7 0.2 1 705 96 96 ALA CB C 18.3 0.2 1 706 97 97 ASP H H 8.86 0.02 1 707 97 97 ASP HA H 4.63 0.02 1 708 97 97 ASP HB2 H 2.73 0.02 2 709 97 97 ASP HB3 H 2.73 0.02 2 710 97 97 ASP C C 174.8 0.1 1 711 97 97 ASP CA C 53.3 0.2 1 712 97 97 ASP CB C 38.4 0.2 1 713 97 97 ASP N N 114.0 0.2 1 714 98 98 THR H H 7.15 0.02 1 715 98 98 THR HA H 4.64 0.02 1 716 98 98 THR HB H 3.96 0.02 1 717 98 98 THR HG2 H 1.26 0.02 1 718 98 98 THR C C 175.2 0.1 1 719 98 98 THR CA C 65.3 0.2 1 720 98 98 THR CB C 70.0 0.2 1 721 98 98 THR CG2 C 21.5 0.2 1 722 98 98 THR N N 117.1 0.2 1 723 99 99 THR H H 8.63 0.02 1 724 99 99 THR HA H 5.19 0.02 1 725 99 99 THR HB H 4.07 0.02 1 726 99 99 THR HG2 H 1.16 0.02 1 727 99 99 THR C C 173.5 0.1 1 728 99 99 THR CA C 60.2 0.2 1 729 99 99 THR CB C 73.2 0.2 1 730 99 99 THR CG2 C 21.5 0.2 1 731 99 99 THR N N 116.8 0.2 1 732 100 100 VAL H H 7.82 0.02 1 733 100 100 VAL HA H 4.64 0.02 1 734 100 100 VAL HG1 H 1.18 0.02 2 735 100 100 VAL HG2 H 1.05 0.02 2 736 100 100 VAL C C 174.1 0.1 1 737 100 100 VAL CA C 61.5 0.2 1 738 100 100 VAL CB C 34.9 0.2 1 739 100 100 VAL CG1 C 22.7 0.2 2 740 100 100 VAL CG2 C 22.7 0.2 2 741 100 100 VAL N N 117.7 0.2 1 742 101 101 THR H H 9.23 0.02 1 743 101 101 THR HA H 5.39 0.02 1 744 101 101 THR HB H 3.93 0.02 1 745 101 101 THR HG2 H 1.08 0.02 1 746 101 101 THR C C 172.9 0.1 1 747 101 101 THR CA C 60.8 0.2 1 748 101 101 THR CB C 71.3 0.2 1 749 101 101 THR N N 126.5 0.2 1 750 102 102 ALA H H 8.98 0.02 1 751 102 102 ALA HA H 5.22 0.02 1 752 102 102 ALA HB H 1.03 0.02 1 753 102 102 ALA C C 174.5 0.1 1 754 102 102 ALA CA C 50.2 0.2 1 755 102 102 ALA CB C 21.2 0.2 1 756 102 102 ALA N N 128.3 0.2 1 757 103 103 GLU H H 9.45 0.02 1 758 103 103 GLU HA H 5.08 0.02 1 759 103 103 GLU HB2 H 1.98 0.02 2 760 103 103 GLU HB3 H 1.59 0.02 2 761 103 103 GLU HG2 H 1.98 0.02 2 762 103 103 GLU HG3 H 1.90 0.02 2 763 103 103 GLU C C 175.4 0.1 1 764 103 103 GLU CA C 54.7 0.2 1 765 103 103 GLU CB C 32.1 0.2 1 766 103 103 GLU CG C 36.8 0.2 1 767 103 103 GLU N N 125.1 0.2 1 768 104 104 VAL H H 8.87 0.02 1 769 104 104 VAL HA H 5.08 0.02 1 770 104 104 VAL HB H 1.87 0.02 1 771 104 104 VAL HG1 H 1.14 0.02 2 772 104 104 VAL HG2 H 1.01 0.02 2 773 104 104 VAL C C 173.8 0.1 1 774 104 104 VAL CA C 60.8 0.2 1 775 104 104 VAL CB C 35.6 0.2 1 776 104 104 VAL CG1 C 22.0 0.2 2 777 104 104 VAL CG2 C 22.0 0.2 2 778 104 104 VAL N N 128.2 0.2 1 779 105 105 GLY H H 9.69 0.02 1 780 105 105 GLY HA2 H 5.61 0.02 2 781 105 105 GLY HA3 H 3.52 0.02 2 782 105 105 GLY C C 171.4 0.1 1 783 105 105 GLY CA C 43.5 0.2 1 784 105 105 GLY N N 114.4 0.2 1 785 106 106 ILE H H 8.58 0.02 1 786 106 106 ILE HA H 5.59 0.02 1 787 106 106 ILE HB H 1.63 0.02 1 788 106 106 ILE HD1 H 0.62 0.02 1 789 106 106 ILE HG12 H 1.58 0.02 2 790 106 106 ILE HG13 H 0.89 0.02 2 791 106 106 ILE HG2 H 1.10 0.02 1 792 106 106 ILE C C 174.1 0.1 1 793 106 106 ILE CA C 57.9 0.2 1 794 106 106 ILE CB C 42.1 0.2 1 795 106 106 ILE CD1 C 14.2 0.2 1 796 106 106 ILE CG1 C 28.6 0.2 1 797 106 106 ILE CG2 C 16.4 0.2 1 798 106 106 ILE N N 115.5 0.2 1 799 107 107 GLY H H 8.58 0.02 1 800 107 107 GLY CA C 44.9 0.2 1 801 107 107 GLY N N 113.0 0.2 1 802 108 108 PRO HA H 4.60 0.02 1 803 108 108 PRO C C 176.7 0.1 1 804 108 108 PRO CA C 62.4 0.2 1 805 108 108 PRO CB C 32.0 0.2 1 806 109 109 ASN H H 7.85 0.02 1 807 109 109 ASN HA H 4.93 0.02 1 808 109 109 ASN HB2 H 3.34 0.02 2 809 109 109 ASN HB3 H 2.42 0.02 2 810 109 109 ASN C C 176.3 0.1 1 811 109 109 ASN CA C 50.4 0.2 1 812 109 109 ASN CB C 39.4 0.2 1 813 109 109 ASN N N 119.3 0.2 1 814 110 110 GLU H H 8.56 0.02 1 815 110 110 GLU HA H 4.27 0.02 1 816 110 110 GLU HB2 H 2.22 0.02 2 817 110 110 GLU HB3 H 1.98 0.02 2 818 110 110 GLU HG2 H 2.30 0.02 2 819 110 110 GLU HG3 H 2.10 0.02 2 820 110 110 GLU C C 176.8 0.1 1 821 110 110 GLU CA C 57.8 0.2 1 822 110 110 GLU CB C 29.1 0.2 1 823 110 110 GLU CG C 36.6 0.2 1 824 110 110 GLU N N 117.3 0.2 1 825 111 111 GLU H H 7.92 0.02 1 826 111 111 GLU HA H 4.55 0.02 1 827 111 111 GLU HB2 H 2.23 0.02 2 828 111 111 GLU HB3 H 1.78 0.02 2 829 111 111 GLU HG2 H 2.12 0.02 2 830 111 111 GLU HG3 H 2.12 0.02 2 831 111 111 GLU C C 176.6 0.1 1 832 111 111 GLU CA C 55.3 0.2 1 833 111 111 GLU CB C 30.4 0.2 1 834 111 111 GLU CG C 36.3 0.2 1 835 111 111 GLU N N 117.8 0.2 1 836 112 112 GLY H H 8.05 0.02 1 837 112 112 GLY HA2 H 4.19 0.02 2 838 112 112 GLY HA3 H 3.65 0.02 2 839 112 112 GLY C C 174.1 0.1 1 840 112 112 GLY CA C 45.4 0.2 1 841 112 112 GLY N N 108.7 0.2 1 842 113 113 GLY H H 8.04 0.02 1 843 113 113 GLY HA2 H 4.34 0.02 2 844 113 113 GLY HA3 H 3.66 0.02 2 845 113 113 GLY C C 172.5 0.1 1 846 113 113 GLY CA C 44.5 0.2 1 847 113 113 GLY N N 108.3 0.2 1 848 114 114 PHE H H 7.84 0.02 1 849 114 114 PHE HA H 5.14 0.02 1 850 114 114 PHE HB2 H 2.82 0.02 2 851 114 114 PHE HB3 H 2.61 0.02 2 852 114 114 PHE HD1 H 6.78 0.02 3 853 114 114 PHE HD2 H 6.78 0.02 3 854 114 114 PHE C C 173.2 0.1 1 855 114 114 PHE CA C 56.4 0.2 1 856 114 114 PHE CB C 42.4 0.2 1 857 114 114 PHE CD1 C 130.8 0.2 3 858 114 114 PHE CD2 C 130.8 0.2 3 859 114 114 PHE N N 118.6 0.2 1 860 115 115 ALA H H 9.27 0.02 1 861 115 115 ALA HA H 4.97 0.02 1 862 115 115 ALA HB H 1.40 0.02 1 863 115 115 ALA C C 175.4 0.1 1 864 115 115 ALA CA C 50.1 0.2 1 865 115 115 ALA CB C 23.8 0.2 1 866 115 115 ALA N N 124.2 0.2 1 867 116 116 LEU H H 8.39 0.02 1 868 116 116 LEU HA H 5.30 0.02 1 869 116 116 LEU HB2 H 1.49 0.02 2 870 116 116 LEU HB3 H 1.49 0.02 2 871 116 116 LEU HD1 H 0.48 0.02 2 872 116 116 LEU HD2 H 0.05 0.02 2 873 116 116 LEU C C 175.3 0.1 1 874 116 116 LEU CA C 53.0 0.2 1 875 116 116 LEU CB C 45.5 0.2 1 876 116 116 LEU CD1 C 22.1 0.2 2 877 116 116 LEU CD2 C 25.2 0.2 2 878 116 116 LEU N N 117.6 0.2 1 879 117 117 ASP H H 8.54 0.02 1 880 117 117 ASP HA H 4.88 0.02 1 881 117 117 ASP HB2 H 2.53 0.02 2 882 117 117 ASP HB3 H 2.25 0.02 2 883 117 117 ASP C C 174.8 0.1 1 884 117 117 ASP CA C 53.0 0.2 1 885 117 117 ASP CB C 47.2 0.2 1 886 117 117 ASP N N 121.7 0.2 1 887 118 118 VAL H H 9.00 0.02 1 888 118 118 VAL HA H 5.17 0.02 1 889 118 118 VAL HB H 1.90 0.02 1 890 118 118 VAL HG1 H 0.78 0.02 2 891 118 118 VAL HG2 H 0.78 0.02 2 892 118 118 VAL C C 172.5 0.1 1 893 118 118 VAL CA C 61.2 0.2 1 894 118 118 VAL CB C 35.1 0.2 1 895 118 118 VAL CG1 C 21.7 0.2 2 896 118 118 VAL CG2 C 21.7 0.2 2 897 118 118 VAL N N 124.5 0.2 1 898 119 119 GLU H H 8.62 0.02 1 899 119 119 GLU HA H 5.17 0.02 1 900 119 119 GLU HG2 H 1.92 0.02 2 901 119 119 GLU HG3 H 1.96 0.02 2 902 119 119 GLU C C 173.5 0.1 1 903 119 119 GLU CA C 54.3 0.2 1 904 119 119 GLU CB C 34.1 0.2 1 905 119 119 GLU CG C 35.2 0.1 1 906 119 119 GLU N N 127.4 0.2 1 907 120 120 LEU H H 8.99 0.02 1 908 120 120 LEU HA H 4.93 0.02 1 909 120 120 LEU HB2 H 1.21 0.02 2 910 120 120 LEU HB3 H 0.26 0.02 2 911 120 120 LEU HD1 H -0.37 0.02 2 912 120 120 LEU HD2 H -0.55 0.02 2 913 120 120 LEU C C 174.5 0.1 1 914 120 120 LEU CA C 52.8 0.2 1 915 120 120 LEU CB C 42.3 0.2 1 916 120 120 LEU CD1 C 22.5 0.2 2 917 120 120 LEU CD2 C 24.3 0.2 2 918 120 120 LEU CG C 23.6 0.2 1 919 120 120 LEU N N 126.6 0.2 1 920 121 121 ARG H H 9.21 0.02 1 921 121 121 ARG HA H 5.19 0.02 1 922 121 121 ARG C C 176.0 0.1 1 923 121 121 ARG CA C 54.3 0.2 1 924 121 121 ARG CB C 31.6 0.2 1 925 121 121 ARG CG C 27.8 0.2 1 926 121 121 ARG N N 121.4 0.2 1 927 122 122 VAL H H 9.33 0.02 1 928 122 122 VAL HA H 4.49 0.02 1 929 122 122 VAL HB H 2.02 0.02 1 930 122 122 VAL HG1 H 1.04 0.02 2 931 122 122 VAL HG2 H 1.04 0.02 2 932 122 122 VAL C C 173.2 0.1 1 933 122 122 VAL CA C 61.8 0.2 1 934 122 122 VAL CB C 34.4 0.2 1 935 122 122 VAL CG1 C 21.3 0.2 2 936 122 122 VAL CG2 C 21.3 0.250 2 937 122 122 VAL N N 128.8 0.2 1 938 123 123 ALA H H 8.80 0.02 1 939 123 123 ALA HA H 4.86 0.02 1 940 123 123 ALA HB H 1.36 0.02 1 941 123 123 ALA C C 175.1 0.1 1 942 123 123 ALA CA C 51.25 0.2 1 943 123 123 ALA CB C 20.4 0.2 1 944 123 123 ALA N N 131.3 0.2 1 945 124 124 LEU H H 8.79 0.02 1 946 124 124 LEU HA H 4.87 0.02 1 947 124 124 LEU HB2 H 1.37 0.02 2 948 124 124 LEU HB3 H 1.37 0.02 2 949 124 124 LEU CA C 50.9 0.2 1 950 124 124 LEU CB C 44.1 0.2 1 951 124 124 LEU N N 125.7 0.2 1 952 125 125 PRO HA H 4.23 0.02 1 953 125 125 PRO HB2 H 2.20 0.02 2 954 125 125 PRO HB3 H 1.96 0.02 2 955 125 125 PRO HD2 H 3.53 0.02 2 956 125 125 PRO HD3 H 3.31 0.02 2 957 125 125 PRO C C 177.6 0.1 1 958 125 125 PRO CA C 64.24 0.2 1 959 125 125 PRO CB C 31.6 0.2 1 960 125 125 PRO CD C 50.5 0.2 1 961 125 125 PRO CG C 27.1 0.2 1 962 126 126 GLY H H 8.62 0.02 1 963 126 126 GLY HA2 H 4.20 0.02 2 964 126 126 GLY HA3 H 3.63 0.02 2 965 126 126 GLY C C 174.5 0.1 1 966 126 126 GLY CA C 45.4 0.2 1 967 126 126 GLY N N 110.4 0.2 1 968 127 127 LEU H H 7.56 0.02 1 969 127 127 LEU HA H 4.51 0.02 1 970 127 127 LEU HB2 H 1.74 0.02 2 971 127 127 LEU HB3 H 1.43 0.02 2 972 127 127 LEU HD1 H 0.85 0.02 2 973 127 127 LEU HD2 H 0.85 0.02 2 974 127 127 LEU HG H 1.74 0.02 1 975 127 127 LEU C C 176.8 0.1 1 976 127 127 LEU CA C 54.7 0.2 1 977 127 127 LEU CB C 43.2 0.2 1 978 127 127 LEU CD1 C 24.4 0.2 2 979 127 127 LEU CD2 C 24.4 0.2 2 980 127 127 LEU CG C 28.2 0.2 1 981 127 127 LEU N N 122.1 0.2 1 982 128 128 ASP H H 8.47 0.02 1 983 128 128 ASP HA H 4.48 0.02 1 984 128 128 ASP HB2 H 2.89 0.02 2 985 128 128 ASP HB3 H 2.68 0.02 2 986 128 128 ASP C C 175.7 0.1 1 987 128 128 ASP CA C 54.4 0.2 1 988 128 128 ASP CB C 42.5 0.2 1 989 128 128 ASP N N 123.6 0.02 1 990 129 129 ALA H H 8.60 0.02 1 991 129 129 ALA HA H 4.06 0.02 1 992 129 129 ALA HB H 1.49 0.02 1 993 129 129 ALA CA C 55.8 0.2 1 994 129 129 ALA CB C 18.8 0.2 1 995 129 129 ALA N N 124.8 0.2 1 996 130 130 ALA H H 8.32 0.02 1 997 130 130 ALA HA H 4.19 0.02 1 998 130 130 ALA HB H 1.47 0.02 1 999 130 130 ALA C C 180.2 0.1 1 1000 130 130 ALA CA C 55.1 0.2 1 1001 130 130 ALA CB C 18.0 0.2 1 1002 130 130 ALA N N 120.6 0.2 1 1003 131 131 ALA H H 7.89 0.02 1 1004 131 131 ALA HA H 4.13 0.02 1 1005 131 131 ALA HB H 1.52 0.02 1 1006 131 131 ALA C C 180.9 0.1 1 1007 131 131 ALA CA C 54.7 0.2 1 1008 131 131 ALA CB C 18.4 0.2 1 1009 131 131 ALA N N 122.9 0.2 1 1010 132 132 ALA H H 8.72 0.02 1 1011 132 132 ALA HA H 3.94 0.02 1 1012 132 132 ALA HB H 1.47 0.02 1 1013 132 132 ALA C C 178.1 0.1 1 1014 132 132 ALA CA C 55.1 0.2 1 1015 132 132 ALA CB C 19.5 0.2 1 1016 132 132 ALA N N 121.4 0.2 1 1017 133 133 LYS H H 8.05 0.02 1 1018 133 133 LYS HA H 3.85 0.02 1 1019 133 133 LYS HB2 H 1.99 0.02 2 1020 133 133 LYS HB3 H 1.99 0.02 2 1021 133 133 LYS HD2 H 1.76 0.02 2 1022 133 133 LYS HD3 H 1.65 0.02 2 1023 133 133 LYS HE2 H 3.03 0.2 2 1024 133 133 LYS HE3 H 3.03 0.2 2 1025 133 133 LYS HG2 H 1.54 0.02 2 1026 133 133 LYS HG3 H 1.45 0.02 2 1027 133 133 LYS C C 178.1 0.1 1 1028 133 133 LYS CA C 59.7 0.2 1 1029 133 133 LYS CB C 32.3 0.2 1 1030 133 133 LYS CD C 28.9 0.2 1 1031 133 133 LYS CE C 42.4 0.2 1 1032 133 133 LYS CG C 25.2 0.2 1 1033 133 133 LYS N N 117.4 0.2 1 1034 134 134 THR H H 7.83 0.02 1 1035 134 134 THR HA H 4.04 0.02 1 1036 134 134 THR HB H 4.19 0.02 1 1037 134 134 THR HG2 H 1.24 0.02 1 1038 134 134 THR C C 175.9 0.1 1 1039 134 134 THR CA C 66.6 0.2 1 1040 134 134 THR CB C 69.1 0.2 1 1041 134 134 THR CG2 C 21.6 0.2 1 1042 134 134 THR N N 114.8 0.2 1 1043 135 135 LEU H H 7.68 0.02 1 1044 135 135 LEU HA H 4.06 0.02 1 1045 135 135 LEU HB2 H 1.77 0.02 2 1046 135 135 LEU HB3 H 1.77 0.02 2 1047 135 135 LEU HD1 H 0.96 0.02 2 1048 135 135 LEU HD2 H 0.96 0.02 2 1049 135 135 LEU HG H 0.87 0.02 1 1050 135 135 LEU C C 178.2 0.1 1 1051 135 135 LEU CA C 58.8 0.2 1 1052 135 135 LEU CB C 42.5 0.2 1 1053 135 135 LEU CD1 C 24.2 0.2 2 1054 135 135 LEU CD2 C 24.2 0.2 2 1055 135 135 LEU CG C 26.5 0.2 1 1056 135 135 LEU N N 122.8 0.2 1 1057 136 136 VAL H H 8.25 0.02 1 1058 136 136 VAL HA H 3.70 0.02 1 1059 136 136 VAL HB H 2.25 0.02 1 1060 136 136 VAL HG1 H 1.21 0.02 2 1061 136 136 VAL HG2 H 1.09 0.02 2 1062 136 136 VAL CA C 67.1 0.2 1 1063 136 136 VAL CB C 32.0 0.2 1 1064 136 136 VAL CG1 C 24.1 0.2 2 1065 136 136 VAL CG2 C 22.8 0.2 2 1066 136 136 VAL N N 118.4 0.2 1 1067 137 137 ASP H H 8.46 0.02 1 1068 137 137 ASP HA H 4.51 0.02 1 1069 137 137 ASP HB2 H 2.90 0.02 2 1070 137 137 ASP HB3 H 2.71 0.02 2 1071 137 137 ASP C C 179.9 0.1 1 1072 137 137 ASP CA C 57.9 0.2 1 1073 137 137 ASP CB C 40.6 0.2 1 1074 137 137 ASP N N 120.3 0.2 1 1075 138 138 ARG H H 8.21 0.02 1 1076 138 138 ARG HA H 4.24 0.02 1 1077 138 138 ARG HD2 H 3.20 0.02 2 1078 138 138 ARG HD3 H 3.14 0.02 2 1079 138 138 ARG HG2 H 1.97 0.02 2 1080 138 138 ARG HG3 H 1.82 0.02 2 1081 138 138 ARG C C 180.1 0.1 1 1082 138 138 ARG CA C 59.0 0.2 1 1083 138 138 ARG CB C 30.2 0.2 1 1084 138 138 ARG CD C 43.3 0.2 1 1085 138 138 ARG CG C 27.7 0.2 1 1086 138 138 ARG N N 119.0 0.2 1 1087 139 139 ALA H H 8.80 0.02 1 1088 139 139 ALA HA H 3.81 0.02 1 1089 139 139 ALA HB H 0.96 0.02 1 1090 139 139 ALA C C 178.5 0.1 1 1091 139 139 ALA CA C 55.4 0.2 1 1092 139 139 ALA CB C 18.4 0.2 1 1093 139 139 ALA N N 124.0 0.2 1 1094 140 140 HIS H H 8.41 0.02 1 1095 140 140 HIS HA H 4.99 0.02 1 1096 140 140 HIS HB2 H 3.54 0.02 2 1097 140 140 HIS HB3 H 3.36 0.02 2 1098 140 140 HIS HD2 H 7.12 0.02 1 1099 140 140 HIS C C 175.9 0.1 1 1100 140 140 HIS CA C 56.3 0.2 1 1101 140 140 HIS CB C 31.5 0.2 1 1102 140 140 HIS CD2 C 118.4 0.2 1 1103 140 140 HIS N N 118.0 0.2 1 1104 141 141 HIS H H 7.64 0.02 1 1105 141 141 HIS HA H 4.44 0.02 1 1106 141 141 HIS HB2 H 3.48 0.02 2 1107 141 141 HIS HB3 H 3.16 0.02 2 1108 141 141 HIS HD2 H 7.18 0.02 1 1109 141 141 HIS C C 175.1 0.1 1 1110 141 141 HIS CA C 58.1 0.2 1 1111 141 141 HIS CB C 30.7 0.2 1 1112 141 141 HIS CD2 C 120.4 0.2 1 1113 141 141 HIS N N 115.1 0.2 1 1114 142 142 VAL H H 7.40 0.02 1 1115 142 142 VAL HA H 4.07 0.02 1 1116 142 142 VAL HB H 2.17 0.02 1 1117 142 142 VAL HG1 H 1.18 0.02 2 1118 142 142 VAL HG2 H 1.07 0.02 2 1119 142 142 VAL CA C 63.7 0.2 1 1120 142 142 VAL CB C 34.4 0.2 1 1121 142 142 VAL N N 117.0 0.2 1 1122 143 143 CYS H H 8.03 0.02 1 1123 143 143 CYS CA C 55.8 0.2 1 1124 143 143 CYS N N 120.2 0.2 1 1125 145 145 TYR HD1 H 6.73 0.02 3 1126 145 145 TYR HD2 H 6.73 0.02 3 1127 145 145 TYR HE1 H 6.14 0.02 3 1128 145 145 TYR HE2 H 6.14 0.02 3 1129 145 145 TYR CD1 C 132.3 0.2 3 1130 145 145 TYR CD2 C 132.3 0.2 3 1131 145 145 TYR CE1 C 118.5 0.2 3 1132 145 145 TYR CE2 C 118.5 0.2 3 1133 147 147 ASN H H 8.02 0.02 1 1134 147 147 ASN HA H 4.39 0.02 1 1135 147 147 ASN HB2 H 2.82 0.02 2 1136 147 147 ASN HB3 H 2.64 0.02 2 1137 147 147 ASN C C 177.0 0.1 1 1138 147 147 ASN CA C 56.3 0.2 1 1139 147 147 ASN CB C 37.6 0.2 1 1140 147 147 ASN N N 120.5 0.2 1 1141 148 148 ALA H H 8.08 0.02 1 1142 148 148 ALA HA H 4.02 0.02 1 1143 148 148 ALA HB H 1.33 0.02 1 1144 148 148 ALA C C 178.2 0.1 1 1145 148 148 ALA CA C 54.6 0.2 1 1146 148 148 ALA CB C 19.0 0.2 1 1147 148 148 ALA N N 118.9 0.2 1 1148 149 149 THR H H 6.91 0.02 1 1149 149 149 THR HA H 5.25 0.02 1 1150 149 149 THR HB H 4.55 0.02 1 1151 149 149 THR HG2 H 1.18 0.02 1 1152 149 149 THR C C 174.2 0.1 1 1153 149 149 THR CA C 60.5 0.2 1 1154 149 149 THR CB C 70.7 0.2 1 1155 149 149 THR CG2 C 20.7 0.2 1 1156 149 149 THR N N 102.1 0.1 1 1157 150 150 ARG H H 6.73 0.02 1 1158 150 150 ARG HA H 4.02 0.02 1 1159 150 150 ARG HB2 H 1.92 0.02 2 1160 150 150 ARG HB3 H 1.82 0.02 2 1161 150 150 ARG HD2 H 3.23 0.02 2 1162 150 150 ARG HD3 H 3.18 0.02 2 1163 150 150 ARG HG2 H 1.77 0.02 2 1164 150 150 ARG HG3 H 1.68 0.02 2 1165 150 150 ARG C C 177.8 0.1 1 1166 150 150 ARG CA C 57.5 0.2 1 1167 150 150 ARG CB C 27.3 0.2 1 1168 150 150 ARG CD C 42.5 0.2 1 1169 150 150 ARG CG C 25.8 0.2 1 1170 150 150 ARG N N 124.9 0.2 1 1171 151 151 ASN H H 9.11 0.02 1 1172 151 151 ASN HA H 4.22 0.02 1 1173 151 151 ASN HB2 H 3.61 0.02 2 1174 151 151 ASN HB3 H 2.80 0.02 2 1175 151 151 ASN HD21 H 8.18 0.02 2 1176 151 151 ASN HD22 H 7.10 0.02 2 1177 151 151 ASN C C 175.1 0.2 1 1178 151 151 ASN CA C 57.7 0.2 1 1179 151 151 ASN CB C 37.8 0.2 1 1180 151 151 ASN N N 118.6 0.2 1 1181 151 151 ASN ND2 N 116.9 0.2 1 1182 152 152 ASN H H 8.44 0.02 1 1183 152 152 ASN HA H 4.01 0.02 1 1184 152 152 ASN HB2 H 3.07 0.02 2 1185 152 152 ASN HB3 H 2.97 0.02 2 1186 152 152 ASN C C 175.3 0.1 1 1187 152 152 ASN CA C 54.6 0.2 1 1188 152 152 ASN CB C 40.2 0.2 1 1189 152 152 ASN N N 119.0 0.2 1 1190 153 153 VAL H H 8.03 0.02 1 1191 153 153 VAL HA H 4.31 0.02 1 1192 153 153 VAL HB H 2.15 0.02 1 1193 153 153 VAL HG1 H 1.03 0.02 2 1194 153 153 VAL HG2 H 1.03 0.02 2 1195 153 153 VAL C C 174.9 0.1 1 1196 153 153 VAL CA C 60.6 0.2 1 1197 153 153 VAL CB C 31.9 0.2 1 1198 153 153 VAL CG1 C 21.7 0.2 2 1199 153 153 VAL CG2 C 21.7 0.2 2 1200 153 153 VAL N N 119.0 0.2 1 1201 154 154 ALA H H 9.09 0.02 1 1202 154 154 ALA HA H 4.61 0.02 1 1203 154 154 ALA HB H 1.34 0.02 1 1204 154 154 ALA C C 176.6 0.1 1 1205 154 154 ALA CA C 50.7 0.2 1 1206 154 154 ALA CB C 16.3 0.2 1 1207 154 154 ALA N N 133.9 0.2 1 1208 155 155 VAL H H 7.78 0.02 1 1209 155 155 VAL HA H 4.01 0.02 1 1210 155 155 VAL HB H 1.99 0.02 1 1211 155 155 VAL HG1 H 1.17 0.02 2 1212 155 155 VAL HG2 H 0.64 0.02 2 1213 155 155 VAL C C 176.6 0.1 1 1214 155 155 VAL CA C 63.9 0.2 1 1215 155 155 VAL CB C 32.7 0.2 1 1216 155 155 VAL CG1 C 21.0 0.2 2 1217 155 155 VAL CG2 C 20.4 0.2 2 1218 155 155 VAL N N 125.4 0.2 1 1219 156 156 ARG H H 8.21 0.02 1 1220 156 156 ARG HA H 4.46 0.02 1 1221 156 156 ARG C C 174.0 0.1 1 1222 156 156 ARG CA C 55.7 0.2 1 1223 156 156 ARG CB C 31.6 0.2 1 1224 156 156 ARG CD C 44.9 0.2 1 1225 156 156 ARG CG C 27.1 0.2 1 1226 156 156 ARG N N 129.6 0.2 1 1227 157 157 LEU H H 8.31 0.02 1 1228 157 157 LEU HB2 H 1.57 0.02 2 1229 157 157 LEU HB3 H 0.95 0.02 2 1230 157 157 LEU HD1 H 0.48 0.02 2 1231 157 157 LEU HD2 H 0.16 0.02 2 1232 157 157 LEU C C 175.9 0.1 1 1233 157 157 LEU CA C 53.8 0.2 1 1234 157 157 LEU CB C 43.1 0.2 1 1235 157 157 LEU CD1 C 24.8 0.2 2 1236 157 157 LEU CD2 C 24.5 0.2 2 1237 157 157 LEU N N 123.3 0.2 1 1238 158 158 VAL H H 9.04 0.02 1 1239 158 158 VAL HA H 4.20 0.02 1 1240 158 158 VAL HB H 1.94 0.02 1 1241 158 158 VAL HG1 H 0.77 0.02 2 1242 158 158 VAL HG2 H 0.77 0.02 2 1243 158 158 VAL C C 174.2 0.1 1 1244 158 158 VAL CA C 61.5 0.2 1 1245 158 158 VAL CB C 35.2 0.2 1 1246 158 158 VAL CG1 C 20.6 0.2 2 1247 158 158 VAL CG2 C 20.6 0.2 2 1248 158 158 VAL N N 126.9 0.2 1 1249 159 159 VAL H H 8.52 0.02 1 1250 159 159 VAL HA H 4.55 0.02 1 1251 159 159 VAL HB H 2.02 0.02 1 1252 159 159 VAL HG1 H 0.98 0.02 2 1253 159 159 VAL HG2 H 0.83 0.02 2 1254 159 159 VAL C C 174.9 0.1 1 1255 159 159 VAL CA C 61.9 0.2 1 1256 159 159 VAL CB C 32.3 0.2 1 1257 159 159 VAL CG2 C 21.7 0.2 2 1258 159 159 VAL N N 128.9 0.2 1 1259 160 160 ALA H H 8.74 0.02 1 1260 160 160 ALA HA H 4.08 0.02 1 1261 160 160 ALA HB H 1.23 0.02 1 1262 160 160 ALA CA C 53.8 0.2 1 1263 160 160 ALA CB C 20.3 0.2 1 1264 160 160 ALA N N 137.9 0.2 1 stop_ save_