data_17523 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone and side-chain 1H, 15N, and 13C resonance assignments of Norwalk virus protease ; _BMRB_accession_number 17523 _BMRB_flat_file_name bmr17523.str _Entry_type original _Submission_date 2011-03-11 _Accession_date 2011-03-11 _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 Takahashi Daisuke . . 2 Kim Yunjeong . . 3 Chang Kyeong-Ok . . 4 Anbanandam Asokan . . 5 Prakash Om . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 923 "13C chemical shifts" 683 "15N chemical shifts" 177 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2012-04-06 update BMRB 'update entry citation' 2011-06-08 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, (15)N, and (13)C resonance assignments of Norwalk virus protease.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 21647610 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Takahashi Daisuke . . 2 Kim Yunjeong . . 3 Chang Kyeong-Ok . . 4 Anbanandam Asokan . . 5 Prakash Om . . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_name_full 'Biomolecular NMR assignments' _Journal_volume 6 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 19 _Page_last 21 _Year 2012 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Norwalk virus protease' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Norwalk virus protease' $NVpro 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_NVpro _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common NVpro _Molecular_mass . _Mol_thiol_state 'all free' loop_ _Biological_function 'Proteolytic cleavage of a norovirus genome encoded poplyprotein into 6 mature nonstructural proteins' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 188 _Mol_residue_sequence ; MHHHHHHAPPTLWSRVTKFG SGWGFWVSPTVFITTTHVVP TGVKEFFGEPLSSIAIHQAG EFTQFRFSKKMRPDLTGMVL EEGCPEGTVCSVLIKRDSGE LLPLAVRMGAIASMRIQGRL VHGQSGMLLTGANAKGMDLG TIPGDCGAPYVHKRGNDWVV CGVHAAATKSGNTVVCAVQA GEGETALE ; loop_ _Residue_seq_code _Residue_label 1 MET 2 HIS 3 HIS 4 HIS 5 HIS 6 HIS 7 HIS 8 ALA 9 PRO 10 PRO 11 THR 12 LEU 13 TRP 14 SER 15 ARG 16 VAL 17 THR 18 LYS 19 PHE 20 GLY 21 SER 22 GLY 23 TRP 24 GLY 25 PHE 26 TRP 27 VAL 28 SER 29 PRO 30 THR 31 VAL 32 PHE 33 ILE 34 THR 35 THR 36 THR 37 HIS 38 VAL 39 VAL 40 PRO 41 THR 42 GLY 43 VAL 44 LYS 45 GLU 46 PHE 47 PHE 48 GLY 49 GLU 50 PRO 51 LEU 52 SER 53 SER 54 ILE 55 ALA 56 ILE 57 HIS 58 GLN 59 ALA 60 GLY 61 GLU 62 PHE 63 THR 64 GLN 65 PHE 66 ARG 67 PHE 68 SER 69 LYS 70 LYS 71 MET 72 ARG 73 PRO 74 ASP 75 LEU 76 THR 77 GLY 78 MET 79 VAL 80 LEU 81 GLU 82 GLU 83 GLY 84 CYS 85 PRO 86 GLU 87 GLY 88 THR 89 VAL 90 CYS 91 SER 92 VAL 93 LEU 94 ILE 95 LYS 96 ARG 97 ASP 98 SER 99 GLY 100 GLU 101 LEU 102 LEU 103 PRO 104 LEU 105 ALA 106 VAL 107 ARG 108 MET 109 GLY 110 ALA 111 ILE 112 ALA 113 SER 114 MET 115 ARG 116 ILE 117 GLN 118 GLY 119 ARG 120 LEU 121 VAL 122 HIS 123 GLY 124 GLN 125 SER 126 GLY 127 MET 128 LEU 129 LEU 130 THR 131 GLY 132 ALA 133 ASN 134 ALA 135 LYS 136 GLY 137 MET 138 ASP 139 LEU 140 GLY 141 THR 142 ILE 143 PRO 144 GLY 145 ASP 146 CYS 147 GLY 148 ALA 149 PRO 150 TYR 151 VAL 152 HIS 153 LYS 154 ARG 155 GLY 156 ASN 157 ASP 158 TRP 159 VAL 160 VAL 161 CYS 162 GLY 163 VAL 164 HIS 165 ALA 166 ALA 167 ALA 168 THR 169 LYS 170 SER 171 GLY 172 ASN 173 THR 174 VAL 175 VAL 176 CYS 177 ALA 178 VAL 179 GLN 180 ALA 181 GLY 182 GLU 183 GLY 184 GLU 185 THR 186 ALA 187 LEU 188 GLU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-04-24 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 2FYQ "Crystal Structure Of The Norwalk Virus Protease" 102.13 194 97.40 97.40 5.30e-131 PDB 2FYR "Crystal Structure Of Norwalk Virus Protease Grown In The Presence Of Aebsf" 102.13 194 97.40 97.40 5.30e-131 PDB 2LNC "Solution Nmr Structure Of Norwalk Virus Protease" 100.00 188 100.00 100.00 3.19e-134 PDB 3UR6 "1.5a Resolution Structure Of Apo Norwalk Virus Protease" 99.47 188 99.47 99.47 4.56e-132 PDB 3UR9 "1.65a Resolution Structure Of Norwalk Virus Protease Containing A Covalently Bound Dipeptidyl Inhibitor" 99.47 188 99.47 99.47 4.56e-132 PDB 4IMQ "Structural Basis Of Substrate Specificity And Protease Inhibition In Norwalk Virus" 96.28 183 100.00 100.00 4.75e-128 PDB 4IMZ "Structural Basis Of Substrate Specificity And Protease Inhibition In Norwalk Virus" 96.28 183 100.00 100.00 6.52e-128 PDB 4IN1 "Structural Basis Of Substrate Specificity And Protease Inhibition In Norwalk Virus" 96.28 182 98.34 98.34 6.42e-126 PDB 4INH "Structural Basis Of Substrate Specificity And Protease Inhibition In Norwalk Virus" 96.28 185 100.00 100.00 5.74e-128 PDB 4XBB "1.85a Resolution Structure Of Norovirus 3cl Protease Complex With A Covalently Bound Dipeptidyl Inhibitor Diethyl [(1r,2s)-2-[(" 99.47 188 99.47 99.47 4.56e-132 PDB 4XBC "1.60 A Resolution Structure Of Norovirus 3cl Protease Complex With A Covalently Bound Dipeptidyl Inhibitor (1r,2s)-2-({n-[(benz" 99.47 188 99.47 99.47 4.56e-132 PDB 4XBD "1.45a Resolution Structure Of Norovirus 3cl Protease Complex With A Covalently Bound Dipeptidyl Inhibitor (1r,2s)-2-({n-[(benzy" 99.47 188 99.47 99.47 4.56e-132 GB AAB50465 "nonstructural polyprotein [Norwalk virus]" 97.87 1789 98.37 98.91 4.49e-118 GB AFJ38515 "nonstructural polyprotein [Norovirus Hu/GI.1/8FIIa/1968/USA]" 97.87 1789 98.37 98.91 4.49e-118 GB AGM33207 "nonstructural polyprotein [Norovirus Hu/GI.1/CHA7A009/2010/USA]" 97.87 1789 98.37 98.91 4.49e-118 GB AGM33210 "nonstructural polyprotein [Norovirus Hu/GI.1/CHA6A003_20091031/2009/USA]" 97.87 1789 98.37 98.91 5.21e-118 GB AGM33213 "nonstructural polyprotein [Norovirus Hu/GI.1/CHA6A003_20091028/2009/USA]" 97.87 1789 98.37 98.91 5.21e-118 REF NP_056820 "nonstructural polyprotein [Norwalk virus]" 97.87 1789 98.37 98.91 4.49e-118 REF NP_786949 "Chymotrypsin-like cysteine proteinase [Norwalk virus]" 96.28 181 100.00 100.00 5.76e-128 SP Q83883 "RecName: Full=Genome polyprotein; Contains: RecName: Full=Protein p48; Contains: RecName: Full=NTPase; AltName: Full=p41; Conta" 97.87 1789 98.37 98.91 4.49e-118 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $NVpro 'Nowwalk virus' 11983 Viruses . Norovirus 'Nowwalk virus' stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $NVpro 'recombinant technology' . Escherichia coli BL21 pET28 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_NVpro_15N_labeled _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $NVpro 0.7-0.8 mM '[U-99% 15N]' 'sodium phosphate' 20 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' 'sodium azide' 3 mM 'natural abundance' D2O 5 mM 'natural abundance' stop_ save_ save_NVpro_13C15N_labeled _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $NVpro 0.7-0.8 mM '[U-99% 13C; U-99% 15N]' 'sodium phosphate' 20 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' 'sodium azide' 3 mM 'natural abundance' D2O 5 mM '[U-99% 2H]' stop_ save_ save_NVpro_13C15N_labeled_D2O _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $NVpro 0.7-0.8 mM '[U-99% 13C; U-99% 15N]' 'sodium phosphate' 20 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' 'sodium azide' 3 mM 'natural abundance' D2O 5 mM 'natural abundance' stop_ save_ save_NVpro_15N_Val _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $NVpro 0.7 mM [U-15N]-Val 'sodium phosphate' 20 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' 'sodium azide' 3 mM 'natural abundance' D2O 5 mM 'natural abundance' stop_ save_ save_NVpro_15N_Ala _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $NVpro 0.7 mM [U-15N]-Ala 'sodium phosphate' 20 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' 'sodium azide' 3 mM 'natural abundance' D2O 5 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_CARA _Saveframe_category software _Name CARA _Version . loop_ _Vendor _Address _Electronic_address 'Keller and Wuthrich' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_VNMRJ _Saveframe_category software _Name VNMRJ _Version . loop_ _Vendor _Address _Electronic_address Varian . . stop_ loop_ _Task collection stop_ _Details . save_ save_TALOS _Saveframe_category software _Name TALOS _Version . loop_ _Vendor _Address _Electronic_address 'Cornilescu, Delaglio and Bax' . . stop_ loop_ _Task 'Dihedral angle analysis' 'Secondary structure prediction' stop_ _Details . save_ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_Bruker800 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ save_Bruker700 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _Details . save_ save_Varian500 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model UnityPlus _Field_strength 500 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $NVpro_15N_labeled save_ save_2D_1H-15N_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $NVpro_13C15N_labeled save_ save_2D_1H-15N_HSQC_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $NVpro_13C15N_labeled save_ save_3D_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $NVpro_13C15N_labeled save_ save_3D_HNCO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $NVpro_13C15N_labeled save_ save_3D_HN(CA)CO_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $NVpro_13C15N_labeled save_ save_3D_HNCA_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $NVpro_13C15N_labeled save_ save_3D_HN(CO)CA_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $NVpro_13C15N_labeled save_ save_3D_HNCA_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $NVpro_13C15N_labeled save_ save_3D_HNCACB_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $NVpro_13C15N_labeled save_ save_3D_CBCA(CO)NH_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $NVpro_13C15N_labeled save_ save_3D_HBHA(CO)NH_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $NVpro_13C15N_labeled save_ save_3D_H(CCO)NH_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $NVpro_13C15N_labeled save_ save_3D_C(CO)NH_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $NVpro_13C15N_labeled save_ save_3D_HNCACB_15 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $NVpro_13C15N_labeled save_ save_2D_1H-13C_HSQC_aliphatic_16 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic' _Sample_label $NVpro_13C15N_labeled_D2O save_ save_2D_1H-13C_HSQC_aliphatic_17 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic' _Sample_label $NVpro_13C15N_labeled save_ save_3D_1H-13C_NOESY_aliphatic_18 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $NVpro_13C15N_labeled save_ save_3D_1H-15N_NOESY_19 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $NVpro_15N_labeled save_ save_3D_hCCH-TOCSY_20 _Saveframe_category NMR_applied_experiment _Experiment_name '3D hCCH-TOCSY' _Sample_label $NVpro_13C15N_labeled_D2O save_ save_3D_HCCH-TOCSY_21 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $NVpro_13C15N_labeled_D2O save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.5 . pH pressure 1 . atm temperature 273 . 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 . 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_NVpro_BB_and_SC_assingnment _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCO' '3D HN(CA)CO' '3D HNCA' '3D HN(CO)CA' '3D HNCACB' '3D CBCA(CO)NH' '3D HBHA(CO)NH' '3D H(CCO)NH' '3D C(CO)NH' '2D 1H-13C HSQC aliphatic' '3D 1H-13C NOESY aliphatic' '3D 1H-15N NOESY' '3D hCCH-TOCSY' '3D HCCH-TOCSY' stop_ loop_ _Sample_label $NVpro_13C15N_labeled $NVpro_15N_labeled $NVpro_13C15N_labeled_D2O stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'Norwalk virus protease' _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 6 6 HIS H H 8.500 0.020 1 2 6 6 HIS HA H 4.683 0.020 1 3 6 6 HIS HB2 H 3.109 0.020 2 4 6 6 HIS HB3 H 3.099 0.020 2 5 6 6 HIS HD2 H 6.992 0.020 1 6 6 6 HIS C C 174.818 0.3 1 7 6 6 HIS CA C 55.679 0.3 1 8 6 6 HIS CB C 30.619 0.3 1 9 7 7 HIS H H 8.827 0.020 1 10 7 7 HIS HA H 4.765 0.020 1 11 7 7 HIS HB2 H 3.158 0.020 2 12 7 7 HIS HB3 H 3.114 0.020 2 13 7 7 HIS HD2 H 6.979 0.020 1 14 7 7 HIS C C 174.587 0.3 1 15 7 7 HIS CA C 55.675 0.3 1 16 7 7 HIS CB C 30.429 0.3 1 17 7 7 HIS N N 121.454 0.3 1 18 8 8 ALA H H 8.602 0.020 1 19 8 8 ALA HA H 3.919 0.020 1 20 8 8 ALA HB H 0.631 0.020 1 21 8 8 ALA C C 174.812 0.3 1 22 8 8 ALA CA C 49.642 0.3 1 23 8 8 ALA CB C 17.711 0.3 1 24 8 8 ALA N N 127.892 0.3 1 25 10 10 PRO HA H 4.455 0.020 1 26 10 10 PRO HB2 H 2.045 0.020 2 27 10 10 PRO HB3 H 1.890 0.020 2 28 10 10 PRO HG2 H 2.182 0.020 2 29 10 10 PRO HG3 H 2.085 0.020 2 30 10 10 PRO HD2 H 3.884 0.020 2 31 10 10 PRO HD3 H 3.850 0.020 2 32 10 10 PRO C C 178.825 0.3 1 33 10 10 PRO CA C 65.435 0.3 1 34 10 10 PRO CB C 32.172 0.3 1 35 10 10 PRO CG C 27.566 0.3 1 36 10 10 PRO CD C 50.579 0.3 1 37 11 11 THR H H 7.675 0.020 1 38 11 11 THR HA H 4.770 0.020 1 39 11 11 THR HB H 4.272 0.020 1 40 11 11 THR HG2 H 1.269 0.020 1 41 11 11 THR C C 176.607 0.3 1 42 11 11 THR CA C 63.643 0.3 1 43 11 11 THR CB C 68.132 0.3 1 44 11 11 THR CG2 C 22.091 0.3 1 45 11 11 THR N N 107.598 0.3 1 46 12 12 LEU H H 7.512 0.020 1 47 12 12 LEU HA H 4.094 0.020 1 48 12 12 LEU HB2 H 1.208 0.020 2 49 12 12 LEU HB3 H 1.137 0.020 2 50 12 12 LEU HG H 0.525 0.020 1 51 12 12 LEU HD1 H 0.226 0.020 1 52 12 12 LEU HD2 H 0.341 0.020 1 53 12 12 LEU C C 178.775 0.3 1 54 12 12 LEU CA C 57.603 0.3 1 55 12 12 LEU CB C 41.595 0.3 1 56 12 12 LEU CG C 27.784 0.3 1 57 12 12 LEU CD1 C 24.397 0.3 1 58 12 12 LEU CD2 C 24.673 0.3 1 59 12 12 LEU N N 122.671 0.3 1 60 13 13 TRP H H 7.052 0.020 1 61 13 13 TRP HA H 4.203 0.020 1 62 13 13 TRP HB2 H 3.122 0.020 2 63 13 13 TRP HB3 H 3.223 0.020 2 64 13 13 TRP HE1 H 10.004 0.020 1 65 13 13 TRP C C 179.376 0.3 1 66 13 13 TRP CA C 60.602 0.3 1 67 13 13 TRP CB C 29.445 0.3 1 68 13 13 TRP N N 117.186 0.3 1 69 13 13 TRP NE1 N 128.744 0.3 1 70 14 14 SER H H 8.060 0.020 1 71 14 14 SER HA H 4.478 0.020 1 72 14 14 SER HB2 H 4.067 0.020 2 73 14 14 SER HB3 H 3.965 0.020 2 74 14 14 SER C C 175.824 0.3 1 75 14 14 SER CA C 60.291 0.3 1 76 14 14 SER CB C 62.879 0.3 1 77 14 14 SER N N 113.621 0.3 1 78 15 15 ARG H H 7.480 0.020 1 79 15 15 ARG HA H 4.748 0.020 1 80 15 15 ARG HB2 H 1.755 0.020 1 81 15 15 ARG HB3 H 1.755 0.020 1 82 15 15 ARG HG2 H 1.277 0.020 1 83 15 15 ARG HG3 H 1.277 0.020 1 84 15 15 ARG HD2 H 3.010 0.020 1 85 15 15 ARG HD3 H 3.010 0.020 1 86 15 15 ARG C C 177.301 0.3 1 87 15 15 ARG CA C 57.501 0.3 1 88 15 15 ARG CB C 32.773 0.3 1 89 15 15 ARG CG C 24.990 0.3 1 90 15 15 ARG CD C 41.754 0.3 1 91 15 15 ARG N N 120.744 0.3 1 92 16 16 VAL H H 7.898 0.020 1 93 16 16 VAL HA H 4.824 0.020 1 94 16 16 VAL HB H 2.519 0.020 1 95 16 16 VAL HG1 H 1.272 0.020 1 96 16 16 VAL HG2 H 1.202 0.020 1 97 16 16 VAL C C 176.094 0.3 1 98 16 16 VAL CA C 63.549 0.3 1 99 16 16 VAL CB C 31.843 0.3 1 100 16 16 VAL CG1 C 21.963 0.3 1 101 16 16 VAL CG2 C 21.687 0.3 1 102 16 16 VAL N N 121.437 0.3 1 103 17 17 THR H H 9.432 0.020 1 104 17 17 THR HA H 5.107 0.020 1 105 17 17 THR HB H 4.120 0.020 1 106 17 17 THR HG2 H 1.672 0.020 1 107 17 17 THR C C 172.732 0.3 1 108 17 17 THR CA C 61.757 0.3 1 109 17 17 THR CB C 72.966 0.3 1 110 17 17 THR CG2 C 20.787 0.3 1 111 17 17 THR N N 125.250 0.3 1 112 18 18 LYS H H 9.201 0.020 1 113 18 18 LYS HA H 4.774 0.020 1 114 18 18 LYS HB2 H 1.687 0.020 1 115 18 18 LYS HB3 H 1.687 0.020 1 116 18 18 LYS HG2 H 1.139 0.020 2 117 18 18 LYS HG3 H 0.715 0.020 2 118 18 18 LYS HD2 H 1.455 0.020 1 119 18 18 LYS HD3 H 1.455 0.020 1 120 18 18 LYS HE2 H 2.696 0.020 1 121 18 18 LYS HE3 H 2.696 0.020 1 122 18 18 LYS C C 175.983 0.3 1 123 18 18 LYS CA C 57.637 0.3 1 124 18 18 LYS CB C 31.762 0.3 1 125 18 18 LYS CG C 24.931 0.3 1 126 18 18 LYS CD C 31.691 0.3 1 127 18 18 LYS CE C 41.314 0.3 1 128 18 18 LYS N N 131.669 0.3 1 129 19 19 PHE H H 8.283 0.020 1 130 19 19 PHE HA H 4.515 0.020 1 131 19 19 PHE HB2 H 3.125 0.020 2 132 19 19 PHE HB3 H 2.564 0.020 2 133 19 19 PHE HD1 H 7.049 0.020 1 134 19 19 PHE HD2 H 7.049 0.020 1 135 19 19 PHE C C 172.689 0.3 1 136 19 19 PHE CA C 58.067 0.3 1 137 19 19 PHE CB C 42.033 0.3 1 138 19 19 PHE N N 127.849 0.3 1 139 20 20 GLY H H 8.336 0.020 1 140 20 20 GLY HA2 H 4.007 0.020 2 141 20 20 GLY HA3 H 3.821 0.020 2 142 20 20 GLY C C 174.630 0.3 1 143 20 20 GLY CA C 45.724 0.3 1 144 20 20 GLY N N 114.330 0.3 1 145 21 21 SER H H 8.378 0.020 1 146 21 21 SER HA H 4.514 0.020 1 147 21 21 SER HB2 H 4.168 0.020 2 148 21 21 SER HB3 H 3.784 0.020 2 149 21 21 SER C C 174.006 0.3 1 150 21 21 SER CA C 57.978 0.3 1 151 21 21 SER CB C 62.888 0.3 1 152 21 21 SER N N 120.711 0.3 1 153 22 22 GLY H H 8.301 0.020 1 154 22 22 GLY HA2 H 4.528 0.020 2 155 22 22 GLY HA3 H 3.906 0.020 2 156 22 22 GLY C C 172.471 0.3 1 157 22 22 GLY CA C 46.791 0.3 1 158 22 22 GLY N N 113.082 0.3 1 159 23 23 TRP H H 8.818 0.020 1 160 23 23 TRP HA H 5.438 0.020 1 161 23 23 TRP HB2 H 3.458 0.020 2 162 23 23 TRP HB3 H 2.538 0.020 2 163 23 23 TRP HD1 H 7.426 0.020 1 164 23 23 TRP HE1 H 10.328 0.020 1 165 23 23 TRP C C 174.503 0.3 1 166 23 23 TRP CA C 55.938 0.3 1 167 23 23 TRP CB C 33.832 0.3 1 168 23 23 TRP N N 128.404 0.3 1 169 23 23 TRP NE1 N 134.502 0.3 1 170 24 24 GLY H H 9.268 0.020 1 171 24 24 GLY HA2 H 4.467 0.020 2 172 24 24 GLY HA3 H 3.432 0.020 2 173 24 24 GLY C C 171.626 0.3 1 174 24 24 GLY CA C 46.130 0.3 1 175 24 24 GLY N N 106.558 0.3 1 176 25 25 PHE H H 8.410 0.020 1 177 25 25 PHE HA H 5.476 0.020 1 178 25 25 PHE HB2 H 2.596 0.020 2 179 25 25 PHE HB3 H 2.548 0.020 2 180 25 25 PHE HD1 H 6.997 0.020 1 181 25 25 PHE HD2 H 6.997 0.020 1 182 25 25 PHE HE1 H 7.188 0.020 1 183 25 25 PHE HE2 H 7.188 0.020 1 184 25 25 PHE C C 174.114 0.3 1 185 25 25 PHE CA C 55.483 0.3 1 186 25 25 PHE CB C 43.738 0.3 1 187 25 25 PHE N N 120.396 0.3 1 188 26 26 TRP H H 7.936 0.020 1 189 26 26 TRP HA H 5.023 0.020 1 190 26 26 TRP HB2 H 3.031 0.020 2 191 26 26 TRP HB3 H 2.954 0.020 2 192 26 26 TRP HD1 H 7.200 0.020 1 193 26 26 TRP HE1 H 10.327 0.020 1 194 26 26 TRP C C 174.449 0.3 1 195 26 26 TRP CA C 55.571 0.3 1 196 26 26 TRP CB C 29.545 0.3 1 197 26 26 TRP N N 127.969 0.3 1 198 26 26 TRP NE1 N 134.433 0.3 1 199 27 27 VAL H H 8.734 0.020 1 200 27 27 VAL HA H 3.546 0.020 1 201 27 27 VAL HB H 1.954 0.020 1 202 27 27 VAL HG1 H 1.276 0.020 1 203 27 27 VAL HG2 H 1.165 0.020 1 204 27 27 VAL C C 174.854 0.3 1 205 27 27 VAL CA C 64.437 0.3 1 206 27 27 VAL CB C 33.640 0.3 1 207 27 27 VAL CG1 C 24.890 0.3 1 208 27 27 VAL CG2 C 22.460 0.3 1 209 27 27 VAL N N 129.390 0.3 1 210 28 28 SER H H 8.803 0.020 1 211 28 28 SER HA H 4.732 0.020 1 212 28 28 SER HB2 H 4.108 0.020 2 213 28 28 SER HB3 H 4.050 0.020 2 214 28 28 SER C C 170.646 0.3 1 215 28 28 SER CA C 55.511 0.3 1 216 28 28 SER CB C 64.192 0.3 1 217 28 28 SER N N 116.524 0.3 1 218 29 29 PRO HA H 4.204 0.020 1 219 29 29 PRO HB2 H 2.040 0.020 1 220 29 29 PRO HB3 H 2.040 0.020 1 221 29 29 PRO HG2 H 1.650 0.020 1 222 29 29 PRO HG3 H 1.650 0.020 1 223 29 29 PRO HD2 H 3.260 0.020 1 224 29 29 PRO HD3 H 3.260 0.020 1 225 29 29 PRO C C 176.458 0.3 1 226 29 29 PRO CA C 65.479 0.3 1 227 29 29 PRO CB C 33.850 0.3 1 228 29 29 PRO CG C 28.976 0.3 1 229 29 29 PRO CD C 50.626 0.3 1 230 30 30 THR H H 7.802 0.020 1 231 30 30 THR HA H 4.804 0.020 1 232 30 30 THR HB H 4.089 0.020 1 233 30 30 THR HG2 H 1.108 0.020 1 234 30 30 THR C C 174.021 0.3 1 235 30 30 THR CA C 60.673 0.3 1 236 30 30 THR CB C 73.250 0.3 1 237 30 30 THR CG2 C 22.575 0.3 1 238 30 30 THR N N 99.634 0.3 1 239 31 31 VAL H H 7.508 0.020 1 240 31 31 VAL HA H 5.516 0.020 1 241 31 31 VAL HB H 2.069 0.020 1 242 31 31 VAL HG1 H 1.025 0.020 1 243 31 31 VAL HG2 H 0.898 0.020 1 244 31 31 VAL C C 173.150 0.3 1 245 31 31 VAL CA C 62.608 0.3 1 246 31 31 VAL CB C 34.400 0.3 1 247 31 31 VAL CG1 C 22.007 0.3 1 248 31 31 VAL CG2 C 21.471 0.3 1 249 31 31 VAL N N 122.681 0.3 1 250 32 32 PHE H H 9.027 0.020 1 251 32 32 PHE HA H 4.762 0.020 1 252 32 32 PHE HB2 H 3.162 0.020 2 253 32 32 PHE HB3 H 3.071 0.020 2 254 32 32 PHE HD1 H 7.043 0.020 1 255 32 32 PHE HD2 H 7.043 0.020 1 256 32 32 PHE C C 173.882 0.3 1 257 32 32 PHE CA C 55.253 0.3 1 258 32 32 PHE CB C 43.783 0.3 1 259 32 32 PHE N N 131.193 0.3 1 260 33 33 ILE H H 8.244 0.020 1 261 33 33 ILE HA H 5.192 0.020 1 262 33 33 ILE HB H 1.443 0.020 1 263 33 33 ILE HG12 H 1.422 0.020 2 264 33 33 ILE HG13 H 1.261 0.020 2 265 33 33 ILE HG2 H 0.914 0.020 1 266 33 33 ILE HD1 H 0.776 0.020 1 267 33 33 ILE C C 172.638 0.3 1 268 33 33 ILE CA C 57.859 0.3 1 269 33 33 ILE CB C 40.817 0.3 1 270 33 33 ILE CG1 C 27.655 0.3 1 271 33 33 ILE CG2 C 17.656 0.3 1 272 33 33 ILE CD1 C 13.543 0.3 1 273 33 33 ILE N N 118.771 0.3 1 274 34 34 THR H H 8.293 0.020 1 275 34 34 THR HA H 4.211 0.020 1 276 34 34 THR HB H 3.761 0.020 1 277 34 34 THR HG2 H 1.158 0.020 1 278 34 34 THR C C 171.597 0.3 1 279 34 34 THR CA C 60.336 0.3 1 280 34 34 THR CB C 66.649 0.3 1 281 34 34 THR CG2 C 22.241 0.3 1 282 34 34 THR N N 114.300 0.3 1 283 35 35 THR H H 8.330 0.020 1 284 35 35 THR HA H 4.395 0.020 1 285 35 35 THR HB H 3.640 0.020 1 286 35 35 THR HG2 H 1.210 0.020 1 287 35 35 THR CA C 58.560 0.3 1 288 35 35 THR CB C 70.122 0.3 1 289 35 35 THR CG2 C 23.671 0.3 1 290 35 35 THR N N 119.629 0.3 1 291 36 36 THR HA H 4.717 0.020 1 292 36 36 THR HB H 3.806 0.020 1 293 36 36 THR HG2 H 0.520 0.020 1 294 36 36 THR C C 177.406 0.3 1 295 36 36 THR CA C 59.291 0.3 1 296 36 36 THR CB C 65.722 0.3 1 297 36 36 THR CG2 C 18.904 0.3 1 298 37 37 HIS H H 8.953 0.020 1 299 37 37 HIS HA H 4.558 0.020 1 300 37 37 HIS HB2 H 3.524 0.020 2 301 37 37 HIS HB3 H 3.221 0.020 2 302 37 37 HIS HD2 H 7.036 0.020 1 303 37 37 HIS C C 175.448 0.3 1 304 37 37 HIS CA C 59.355 0.3 1 305 37 37 HIS CB C 27.297 0.3 1 306 37 37 HIS CD2 C 128.147 0.3 1 307 37 37 HIS N N 115.544 0.3 1 308 38 38 VAL H H 7.516 0.020 1 309 38 38 VAL HA H 4.369 0.020 1 310 38 38 VAL HB H 2.338 0.020 1 311 38 38 VAL HG1 H 1.043 0.020 1 312 38 38 VAL HG2 H 0.603 0.020 1 313 38 38 VAL C C 176.066 0.3 1 314 38 38 VAL CA C 60.765 0.3 1 315 38 38 VAL CB C 32.016 0.3 1 316 38 38 VAL CG1 C 19.872 0.3 1 317 38 38 VAL CG2 C 21.955 0.3 1 318 38 38 VAL N N 114.915 0.3 1 319 39 39 VAL H H 7.355 0.020 1 320 39 39 VAL HA H 3.785 0.020 1 321 39 39 VAL HB H 2.303 0.020 1 322 39 39 VAL HG1 H 1.207 0.020 1 323 39 39 VAL HG2 H 1.207 0.020 1 324 39 39 VAL C C 174.895 0.3 1 325 39 39 VAL CA C 60.926 0.3 1 326 39 39 VAL CB C 32.472 0.3 1 327 39 39 VAL CG1 C 18.603 0.3 1 328 39 39 VAL CG2 C 18.567 0.3 1 329 39 39 VAL N N 122.780 0.3 1 330 40 40 PRO HA H 4.495 0.020 1 331 40 40 PRO HB2 H 2.224 0.020 2 332 40 40 PRO HB3 H 1.894 0.020 2 333 40 40 PRO HG2 H 1.977 0.020 2 334 40 40 PRO HG3 H 1.717 0.020 2 335 40 40 PRO HD2 H 3.301 0.020 2 336 40 40 PRO HD3 H 3.249 0.020 2 337 40 40 PRO C C 175.861 0.3 1 338 40 40 PRO CA C 63.025 0.3 1 339 40 40 PRO CB C 32.372 0.3 1 340 40 40 PRO CG C 27.032 0.3 1 341 40 40 PRO CD C 51.084 0.3 1 342 41 41 THR H H 8.184 0.020 1 343 41 41 THR HA H 4.525 0.020 1 344 41 41 THR HB H 4.233 0.020 1 345 41 41 THR HG2 H 1.243 0.020 1 346 41 41 THR C C 175.702 0.3 1 347 41 41 THR CA C 60.833 0.3 1 348 41 41 THR CB C 70.383 0.3 1 349 41 41 THR CG2 C 21.644 0.3 1 350 41 41 THR N N 112.977 0.3 1 351 42 42 GLY H H 8.793 0.020 1 352 42 42 GLY HA2 H 3.924 0.020 2 353 42 42 GLY HA3 H 3.830 0.020 2 354 42 42 GLY C C 174.435 0.3 1 355 42 42 GLY CA C 46.205 0.3 1 356 42 42 GLY N N 110.307 0.3 1 357 43 43 VAL H H 6.965 0.020 1 358 43 43 VAL HA H 4.377 0.020 1 359 43 43 VAL HB H 2.031 0.020 1 360 43 43 VAL HG1 H 0.735 0.020 1 361 43 43 VAL HG2 H 0.402 0.020 1 362 43 43 VAL C C 175.916 0.3 1 363 43 43 VAL CA C 60.079 0.3 1 364 43 43 VAL CB C 33.877 0.3 1 365 43 43 VAL CG1 C 21.777 0.3 1 366 43 43 VAL CG2 C 19.446 0.3 1 367 43 43 VAL N N 111.467 0.3 1 368 44 44 LYS H H 8.745 0.020 1 369 44 44 LYS HA H 4.317 0.020 1 370 44 44 LYS HB2 H 1.956 0.020 2 371 44 44 LYS HB3 H 1.617 0.020 2 372 44 44 LYS HG2 H 1.373 0.020 1 373 44 44 LYS HG3 H 1.373 0.020 1 374 44 44 LYS HD2 H 1.601 0.020 1 375 44 44 LYS HD3 H 1.601 0.020 1 376 44 44 LYS HE2 H 2.934 0.020 1 377 44 44 LYS HE3 H 2.934 0.020 1 378 44 44 LYS C C 175.660 0.3 1 379 44 44 LYS CA C 55.559 0.3 1 380 44 44 LYS CB C 33.534 0.3 1 381 44 44 LYS CG C 24.777 0.3 1 382 44 44 LYS CD C 28.794 0.3 1 383 44 44 LYS CE C 41.997 0.3 1 384 44 44 LYS N N 118.555 0.3 1 385 45 45 GLU H H 7.039 0.020 1 386 45 45 GLU HA H 4.768 0.020 1 387 45 45 GLU HB2 H 1.619 0.020 2 388 45 45 GLU HB3 H 1.478 0.020 2 389 45 45 GLU HG2 H 1.853 0.020 2 390 45 45 GLU HG3 H 1.769 0.020 2 391 45 45 GLU C C 173.700 0.3 1 392 45 45 GLU CA C 54.162 0.3 1 393 45 45 GLU CB C 32.408 0.3 1 394 45 45 GLU CG C 33.651 0.3 1 395 45 45 GLU N N 116.918 0.3 1 396 46 46 PHE H H 8.300 0.020 1 397 46 46 PHE HA H 4.757 0.020 1 398 46 46 PHE HB2 H 2.716 0.020 2 399 46 46 PHE HB3 H 2.699 0.020 2 400 46 46 PHE HD1 H 6.997 0.020 1 401 46 46 PHE HD2 H 6.997 0.020 1 402 46 46 PHE C C 175.574 0.3 1 403 46 46 PHE CA C 56.711 0.3 1 404 46 46 PHE CB C 41.507 0.3 1 405 46 46 PHE N N 115.943 0.3 1 406 47 47 PHE H H 9.281 0.020 1 407 47 47 PHE HA H 4.254 0.020 1 408 47 47 PHE HB2 H 3.285 0.020 2 409 47 47 PHE HB3 H 3.036 0.020 2 410 47 47 PHE HD1 H 7.099 0.020 1 411 47 47 PHE HD2 H 7.099 0.020 1 412 47 47 PHE HE1 H 6.906 0.020 1 413 47 47 PHE HE2 H 6.906 0.020 1 414 47 47 PHE HZ H 6.551 0.020 1 415 47 47 PHE C C 175.844 0.3 1 416 47 47 PHE CA C 58.435 0.3 1 417 47 47 PHE CB C 36.425 0.3 1 418 47 47 PHE N N 119.381 0.3 1 419 48 48 GLY H H 8.793 0.020 1 420 48 48 GLY HA2 H 4.181 0.020 2 421 48 48 GLY HA3 H 3.524 0.020 2 422 48 48 GLY C C 174.434 0.3 1 423 48 48 GLY CA C 45.377 0.3 1 424 48 48 GLY N N 104.250 0.3 1 425 49 49 GLU H H 8.322 0.020 1 426 49 49 GLU HA H 4.321 0.020 1 427 49 49 GLU HB2 H 2.191 0.020 1 428 49 49 GLU HB3 H 2.191 0.020 1 429 49 49 GLU HG2 H 2.403 0.020 1 430 49 49 GLU HG3 H 2.403 0.020 1 431 49 49 GLU CA C 56.248 0.3 1 432 49 49 GLU CB C 31.155 0.3 1 433 49 49 GLU CG C 31.875 0.3 1 434 49 49 GLU N N 115.625 0.3 1 435 50 50 PRO HA H 4.650 0.020 1 436 50 50 PRO HB2 H 2.071 0.020 1 437 50 50 PRO HB3 H 2.071 0.020 1 438 50 50 PRO HG2 H 2.042 0.020 1 439 50 50 PRO HG3 H 2.042 0.020 1 440 50 50 PRO C C 178.654 0.3 1 441 50 50 PRO CA C 62.021 0.3 1 442 50 50 PRO CB C 32.086 0.3 1 443 50 50 PRO CG C 27.262 0.3 1 444 51 51 LEU H H 7.656 0.020 1 445 51 51 LEU HA H 3.818 0.020 1 446 51 51 LEU HB2 H 1.565 0.020 2 447 51 51 LEU HB3 H 1.477 0.020 2 448 51 51 LEU HG H 1.421 0.020 1 449 51 51 LEU HD1 H 0.689 0.020 1 450 51 51 LEU HD2 H 0.569 0.020 1 451 51 51 LEU C C 178.336 0.3 1 452 51 51 LEU CA C 58.680 0.3 1 453 51 51 LEU CB C 41.316 0.3 1 454 51 51 LEU CG C 27.651 0.3 1 455 51 51 LEU CD1 C 24.619 0.3 1 456 51 51 LEU CD2 C 23.612 0.3 1 457 51 51 LEU N N 122.357 0.3 1 458 52 52 SER H H 8.261 0.020 1 459 52 52 SER HA H 4.214 0.020 1 460 52 52 SER HB2 H 4.046 0.020 2 461 52 52 SER HB3 H 3.886 0.020 2 462 52 52 SER C C 175.292 0.3 1 463 52 52 SER CA C 60.082 0.3 1 464 52 52 SER CB C 62.404 0.3 1 465 52 52 SER N N 109.930 0.3 1 466 53 53 SER H H 8.192 0.020 1 467 53 53 SER HA H 4.775 0.020 1 468 53 53 SER HB2 H 4.150 0.020 2 469 53 53 SER HB3 H 4.082 0.020 2 470 53 53 SER C C 172.836 0.3 1 471 53 53 SER CA C 58.227 0.3 1 472 53 53 SER CB C 65.045 0.3 1 473 53 53 SER N N 117.484 0.3 1 474 54 54 ILE H H 7.763 0.020 1 475 54 54 ILE HA H 4.213 0.020 1 476 54 54 ILE HB H 1.527 0.020 1 477 54 54 ILE HG12 H 0.871 0.020 2 478 54 54 ILE HG13 H 0.775 0.020 2 479 54 54 ILE HG2 H 0.559 0.020 1 480 54 54 ILE HD1 H 0.125 0.020 1 481 54 54 ILE C C 174.328 0.3 1 482 54 54 ILE CA C 60.440 0.3 1 483 54 54 ILE CB C 40.953 0.3 1 484 54 54 ILE CG1 C 24.946 0.3 1 485 54 54 ILE CG2 C 18.108 0.3 1 486 54 54 ILE CD1 C 17.634 0.3 1 487 54 54 ILE N N 124.554 0.3 1 488 55 55 ALA H H 8.547 0.020 1 489 55 55 ALA HA H 4.680 0.020 1 490 55 55 ALA HB H 1.410 0.020 1 491 55 55 ALA C C 176.479 0.3 1 492 55 55 ALA CA C 50.798 0.3 1 493 55 55 ALA CB C 19.158 0.3 1 494 55 55 ALA N N 129.672 0.3 1 495 56 56 ILE H H 8.863 0.020 1 496 56 56 ILE HA H 4.715 0.020 1 497 56 56 ILE HB H 1.663 0.020 1 498 56 56 ILE HG12 H 1.429 0.020 2 499 56 56 ILE HG13 H 1.414 0.020 2 500 56 56 ILE HG2 H 0.788 0.020 1 501 56 56 ILE HD1 H 0.682 0.020 1 502 56 56 ILE C C 175.300 0.3 1 503 56 56 ILE CA C 61.232 0.3 1 504 56 56 ILE CB C 39.404 0.3 1 505 56 56 ILE CG1 C 27.833 0.3 1 506 56 56 ILE CG2 C 20.183 0.3 1 507 56 56 ILE CD1 C 16.481 0.3 1 508 56 56 ILE N N 127.118 0.3 1 509 57 57 HIS H H 9.186 0.020 1 510 57 57 HIS HA H 5.024 0.020 1 511 57 57 HIS HB2 H 3.134 0.020 2 512 57 57 HIS HB3 H 3.039 0.020 2 513 57 57 HIS HD2 H 7.009 0.020 1 514 57 57 HIS C C 172.848 0.3 1 515 57 57 HIS CA C 54.934 0.3 1 516 57 57 HIS CB C 31.981 0.3 1 517 57 57 HIS N N 128.375 0.3 1 518 58 58 GLN HA H 4.778 0.020 1 519 58 58 GLN HB2 H 1.338 0.020 1 520 58 58 GLN HB3 H 1.338 0.020 1 521 58 58 GLN CA C 59.620 0.3 1 522 58 58 GLN CB C 27.555 0.3 1 523 59 59 ALA H H 9.432 0.020 1 524 59 59 ALA HA H 4.153 0.020 1 525 59 59 ALA HB H 1.122 0.020 1 526 59 59 ALA C C 177.140 0.3 1 527 59 59 ALA CA C 51.842 0.3 1 528 59 59 ALA CB C 19.675 0.3 1 529 59 59 ALA N N 128.703 0.3 1 530 60 60 GLY H H 8.092 0.020 1 531 60 60 GLY HA2 H 3.799 0.020 1 532 60 60 GLY HA3 H 3.799 0.020 1 533 60 60 GLY C C 174.090 0.3 1 534 60 60 GLY CA C 45.213 0.3 1 535 60 60 GLY N N 107.526 0.3 1 536 61 61 GLU H H 8.223 0.020 1 537 61 61 GLU HA H 4.319 0.020 1 538 61 61 GLU HB2 H 2.020 0.020 2 539 61 61 GLU HB3 H 1.895 0.020 2 540 61 61 GLU HG2 H 2.165 0.020 1 541 61 61 GLU HG3 H 2.165 0.020 1 542 61 61 GLU C C 173.757 0.3 1 543 61 61 GLU CA C 56.615 0.3 1 544 61 61 GLU CB C 30.469 0.3 1 545 61 61 GLU CG C 36.163 0.3 1 546 61 61 GLU N N 119.784 0.3 1 547 62 62 PHE H H 8.363 0.020 1 548 62 62 PHE HA H 4.550 0.020 1 549 62 62 PHE HB2 H 3.398 0.020 2 550 62 62 PHE HB3 H 2.560 0.020 2 551 62 62 PHE HD1 H 6.903 0.020 1 552 62 62 PHE HD2 H 6.903 0.020 1 553 62 62 PHE C C 174.357 0.3 1 554 62 62 PHE CA C 57.860 0.3 1 555 62 62 PHE CB C 42.364 0.3 1 556 62 62 PHE N N 124.344 0.3 1 557 63 63 THR H H 8.112 0.020 1 558 63 63 THR HA H 4.771 0.020 1 559 63 63 THR HB H 3.217 0.020 1 560 63 63 THR HG2 H 0.485 0.020 1 561 63 63 THR C C 169.929 0.3 1 562 63 63 THR CA C 62.958 0.3 1 563 63 63 THR CB C 72.052 0.3 1 564 63 63 THR CG2 C 22.095 0.3 1 565 63 63 THR N N 124.522 0.3 1 566 64 64 GLN H H 8.808 0.020 1 567 64 64 GLN HA H 4.984 0.020 1 568 64 64 GLN HB2 H 2.178 0.020 1 569 64 64 GLN HB3 H 2.178 0.020 1 570 64 64 GLN HG2 H 2.571 0.020 1 571 64 64 GLN HG3 H 2.571 0.020 1 572 64 64 GLN HE21 H 7.158 0.020 1 573 64 64 GLN HE22 H 7.480 0.020 1 574 64 64 GLN C C 173.341 0.3 1 575 64 64 GLN CA C 53.665 0.3 1 576 64 64 GLN CB C 34.281 0.3 1 577 64 64 GLN CG C 36.019 0.3 1 578 64 64 GLN N N 124.907 0.3 1 579 64 64 GLN NE2 N 112.581 0.3 1 580 65 65 PHE H H 9.612 0.020 1 581 65 65 PHE HA H 5.136 0.020 1 582 65 65 PHE HB2 H 3.127 0.020 2 583 65 65 PHE HB3 H 2.398 0.020 2 584 65 65 PHE HD1 H 6.852 0.020 1 585 65 65 PHE HD2 H 6.852 0.020 1 586 65 65 PHE C C 174.694 0.3 1 587 65 65 PHE CA C 54.109 0.3 1 588 65 65 PHE CB C 41.642 0.3 1 589 65 65 PHE N N 125.307 0.3 1 590 66 66 ARG H H 8.927 0.020 1 591 66 66 ARG HA H 5.564 0.020 1 592 66 66 ARG HB2 H 1.743 0.020 1 593 66 66 ARG HB3 H 1.743 0.020 1 594 66 66 ARG HG2 H 1.620 0.020 1 595 66 66 ARG HG3 H 1.620 0.020 1 596 66 66 ARG HD2 H 3.155 0.020 1 597 66 66 ARG HD3 H 3.155 0.020 1 598 66 66 ARG C C 176.232 0.3 1 599 66 66 ARG CA C 54.738 0.3 1 600 66 66 ARG CB C 32.285 0.3 1 601 66 66 ARG CG C 27.620 0.3 1 602 66 66 ARG CD C 43.377 0.3 1 603 66 66 ARG N N 121.961 0.3 1 604 67 67 PHE H H 9.918 0.020 1 605 67 67 PHE HA H 4.606 0.020 1 606 67 67 PHE HB2 H 3.617 0.020 2 607 67 67 PHE HB3 H 3.224 0.020 2 608 67 67 PHE HD1 H 7.689 0.020 1 609 67 67 PHE HD2 H 7.689 0.020 1 610 67 67 PHE HE1 H 7.290 0.020 1 611 67 67 PHE HE2 H 7.290 0.020 1 612 67 67 PHE C C 175.558 0.3 1 613 67 67 PHE CA C 58.850 0.3 1 614 67 67 PHE CB C 41.357 0.3 1 615 67 67 PHE N N 128.761 0.3 1 616 68 68 SER H H 9.344 0.020 1 617 68 68 SER HA H 4.445 0.020 1 618 68 68 SER HB2 H 4.108 0.020 1 619 68 68 SER HB3 H 4.108 0.020 1 620 68 68 SER C C 173.237 0.3 1 621 68 68 SER CA C 59.578 0.3 1 622 68 68 SER CB C 63.656 0.3 1 623 68 68 SER N N 116.089 0.3 1 624 69 69 LYS H H 7.645 0.020 1 625 69 69 LYS HA H 4.449 0.020 1 626 69 69 LYS HB2 H 1.716 0.020 2 627 69 69 LYS HB3 H 1.657 0.020 2 628 69 69 LYS HG2 H 1.128 0.020 1 629 69 69 LYS HG3 H 1.128 0.020 1 630 69 69 LYS HD2 H 1.656 0.020 1 631 69 69 LYS HD3 H 1.656 0.020 1 632 69 69 LYS HE2 H 2.926 0.020 1 633 69 69 LYS HE3 H 2.926 0.020 1 634 69 69 LYS C C 174.124 0.3 1 635 69 69 LYS CA C 54.072 0.3 1 636 69 69 LYS CB C 34.815 0.3 1 637 69 69 LYS CG C 23.694 0.3 1 638 69 69 LYS CD C 29.250 0.3 1 639 69 69 LYS CE C 41.831 0.3 1 640 69 69 LYS N N 119.653 0.3 1 641 70 70 LYS H H 8.324 0.020 1 642 70 70 LYS HA H 3.684 0.020 1 643 70 70 LYS HB2 H 1.821 0.020 1 644 70 70 LYS HB3 H 1.821 0.020 1 645 70 70 LYS HG2 H 1.181 0.020 1 646 70 70 LYS HG3 H 1.181 0.020 1 647 70 70 LYS HD2 H 1.643 0.020 1 648 70 70 LYS HD3 H 1.643 0.020 1 649 70 70 LYS HE2 H 2.977 0.020 1 650 70 70 LYS HE3 H 2.977 0.020 1 651 70 70 LYS C C 174.649 0.3 1 652 70 70 LYS CA C 56.989 0.3 1 653 70 70 LYS CB C 31.738 0.3 1 654 70 70 LYS CG C 25.206 0.3 1 655 70 70 LYS CD C 29.372 0.3 1 656 70 70 LYS CE C 41.678 0.3 1 657 70 70 LYS N N 117.305 0.3 1 658 71 71 MET H H 7.589 0.020 1 659 71 71 MET HA H 4.206 0.020 1 660 71 71 MET HB2 H 2.430 0.020 1 661 71 71 MET HB3 H 2.430 0.020 1 662 71 71 MET HG2 H 2.565 0.020 1 663 71 71 MET HG3 H 2.565 0.020 1 664 71 71 MET C C 177.850 0.3 1 665 71 71 MET CA C 54.295 0.3 1 666 71 71 MET CB C 31.805 0.3 1 667 71 71 MET CG C 31.418 0.3 1 668 71 71 MET N N 127.359 0.3 1 669 72 72 ARG H H 7.163 0.020 1 670 72 72 ARG HA H 4.475 0.020 1 671 72 72 ARG HB2 H 1.892 0.020 1 672 72 72 ARG HB3 H 1.892 0.020 1 673 72 72 ARG HG2 H 1.642 0.020 1 674 72 72 ARG HG3 H 1.642 0.020 1 675 72 72 ARG HD2 H 3.005 0.020 1 676 72 72 ARG HD3 H 3.005 0.020 1 677 72 72 ARG C C 173.500 0.3 1 678 72 72 ARG CA C 49.527 0.3 1 679 72 72 ARG CB C 29.299 0.3 1 680 72 72 ARG N N 116.579 0.3 1 681 73 73 PRO HA H 4.109 0.020 1 682 73 73 PRO HB2 H 2.020 0.020 2 683 73 73 PRO HB3 H 1.871 0.020 2 684 73 73 PRO HG2 H 1.853 0.020 1 685 73 73 PRO HG3 H 1.853 0.020 1 686 73 73 PRO HD2 H 3.581 0.020 2 687 73 73 PRO HD3 H 3.017 0.020 2 688 73 73 PRO C C 174.711 0.3 1 689 73 73 PRO CA C 63.844 0.3 1 690 73 73 PRO CB C 32.161 0.3 1 691 73 73 PRO CG C 26.592 0.3 1 692 73 73 PRO CD C 50.293 0.3 1 693 74 74 ASP H H 9.140 0.020 1 694 74 74 ASP HA H 4.255 0.020 1 695 74 74 ASP HB2 H 2.504 0.020 1 696 74 74 ASP HB3 H 2.504 0.020 1 697 74 74 ASP C C 175.132 0.3 1 698 74 74 ASP CA C 54.032 0.3 1 699 74 74 ASP CB C 39.559 0.3 1 700 74 74 ASP N N 115.053 0.3 1 701 75 75 LEU H H 7.276 0.020 1 702 75 75 LEU HA H 4.453 0.020 1 703 75 75 LEU HB2 H 1.458 0.020 2 704 75 75 LEU HB3 H 1.142 0.020 2 705 75 75 LEU HG H 0.530 0.020 1 706 75 75 LEU HD1 H 0.542 0.020 1 707 75 75 LEU HD2 H 0.528 0.020 1 708 75 75 LEU C C 176.551 0.3 1 709 75 75 LEU CA C 53.634 0.3 1 710 75 75 LEU CB C 43.547 0.3 1 711 75 75 LEU CG C 27.712 0.3 1 712 75 75 LEU CD1 C 22.505 0.3 1 713 75 75 LEU CD2 C 22.388 0.3 1 714 75 75 LEU N N 118.999 0.3 1 715 76 76 THR H H 7.349 0.020 1 716 76 76 THR HA H 4.736 0.020 1 717 76 76 THR HB H 4.308 0.020 1 718 76 76 THR HG2 H 1.268 0.020 1 719 76 76 THR C C 176.455 0.3 1 720 76 76 THR CA C 60.318 0.3 1 721 76 76 THR CB C 70.444 0.3 1 722 76 76 THR CG2 C 21.798 0.3 1 723 76 76 THR N N 109.411 0.3 1 724 77 77 GLY H H 9.053 0.020 1 725 77 77 GLY HA2 H 3.905 0.020 2 726 77 77 GLY HA3 H 3.829 0.020 2 727 77 77 GLY C C 173.560 0.3 1 728 77 77 GLY CA C 46.006 0.3 1 729 77 77 GLY N N 110.557 0.3 1 730 78 78 MET H H 8.329 0.020 1 731 78 78 MET HA H 4.848 0.020 1 732 78 78 MET HB2 H 2.231 0.020 1 733 78 78 MET HB3 H 2.231 0.020 1 734 78 78 MET HG2 H 2.450 0.020 1 735 78 78 MET HG3 H 2.450 0.020 1 736 78 78 MET HE H 1.173 0.020 1 737 78 78 MET C C 174.322 0.3 1 738 78 78 MET CA C 54.413 0.3 1 739 78 78 MET CB C 37.030 0.3 1 740 78 78 MET CG C 31.568 0.3 1 741 78 78 MET N N 123.889 0.3 1 742 79 79 VAL H H 8.650 0.020 1 743 79 79 VAL HA H 3.788 0.020 1 744 79 79 VAL HB H 2.042 0.020 1 745 79 79 VAL HG1 H 1.012 0.020 1 746 79 79 VAL HG2 H 1.002 0.020 1 747 79 79 VAL C C 173.273 0.3 1 748 79 79 VAL CA C 64.002 0.3 1 749 79 79 VAL CB C 32.730 0.3 1 750 79 79 VAL CG1 C 24.221 0.3 1 751 79 79 VAL CG2 C 21.981 0.3 1 752 79 79 VAL N N 122.212 0.3 1 753 80 80 LEU H H 7.932 0.020 1 754 80 80 LEU HA H 5.428 0.020 1 755 80 80 LEU HB2 H 1.872 0.020 2 756 80 80 LEU HB3 H 1.270 0.020 2 757 80 80 LEU HG H 1.445 0.020 1 758 80 80 LEU HD1 H 1.008 0.020 1 759 80 80 LEU HD2 H 0.796 0.020 1 760 80 80 LEU C C 176.153 0.3 1 761 80 80 LEU CA C 52.973 0.3 1 762 80 80 LEU CB C 44.052 0.3 1 763 80 80 LEU CG C 27.708 0.3 1 764 80 80 LEU CD1 C 24.361 0.3 1 765 80 80 LEU CD2 C 23.633 0.3 1 766 80 80 LEU N N 129.105 0.3 1 767 81 81 GLU H H 8.674 0.020 1 768 81 81 GLU HA H 4.558 0.020 1 769 81 81 GLU HB2 H 2.199 0.020 1 770 81 81 GLU HB3 H 2.199 0.020 1 771 81 81 GLU HG2 H 2.242 0.020 1 772 81 81 GLU HG3 H 2.242 0.020 1 773 81 81 GLU C C 175.334 0.3 1 774 81 81 GLU CA C 54.078 0.3 1 775 81 81 GLU CB C 30.762 0.3 1 776 81 81 GLU CG C 36.789 0.3 1 777 81 81 GLU N N 126.487 0.3 1 778 82 82 GLU H H 8.530 0.020 1 779 82 82 GLU HA H 4.121 0.020 1 780 82 82 GLU HB2 H 1.967 0.020 1 781 82 82 GLU HB3 H 1.967 0.020 1 782 82 82 GLU HG2 H 2.039 0.020 1 783 82 82 GLU HG3 H 2.039 0.020 1 784 82 82 GLU C C 175.019 0.3 1 785 82 82 GLU CA C 54.497 0.3 1 786 82 82 GLU CB C 27.682 0.3 1 787 82 82 GLU CG C 35.626 0.3 1 788 82 82 GLU N N 122.367 0.3 1 789 83 83 GLY H H 7.682 0.020 1 790 83 83 GLY HA2 H 4.138 0.020 2 791 83 83 GLY HA3 H 3.810 0.020 2 792 83 83 GLY C C 171.654 0.3 1 793 83 83 GLY CA C 45.307 0.3 1 794 83 83 GLY N N 112.874 0.3 1 795 84 84 CYS H H 9.081 0.020 1 796 84 84 CYS HA H 5.141 0.020 1 797 84 84 CYS HB2 H 2.995 0.020 1 798 84 84 CYS HB3 H 2.995 0.020 1 799 84 84 CYS C C 172.395 0.3 1 800 84 84 CYS CA C 54.636 0.3 1 801 84 84 CYS CB C 28.933 0.3 1 802 84 84 CYS N N 116.071 0.3 1 803 85 85 PRO HA H 4.305 0.020 1 804 85 85 PRO HB2 H 1.856 0.020 2 805 85 85 PRO HB3 H 1.767 0.020 2 806 85 85 PRO HG2 H 1.540 0.020 2 807 85 85 PRO HG3 H 1.418 0.020 2 808 85 85 PRO HD2 H 3.754 0.020 2 809 85 85 PRO HD3 H 3.578 0.020 2 810 85 85 PRO C C 177.600 0.3 1 811 85 85 PRO CA C 62.998 0.3 1 812 85 85 PRO CB C 31.510 0.3 1 813 85 85 PRO CG C 27.557 0.3 1 814 85 85 PRO CD C 50.497 0.3 1 815 86 86 GLU H H 8.978 0.020 1 816 86 86 GLU HA H 3.666 0.020 1 817 86 86 GLU HB2 H 1.880 0.020 1 818 86 86 GLU HB3 H 1.880 0.020 1 819 86 86 GLU HG2 H 2.271 0.020 2 820 86 86 GLU HG3 H 2.189 0.020 2 821 86 86 GLU C C 176.979 0.3 1 822 86 86 GLU CA C 58.635 0.3 1 823 86 86 GLU CB C 29.068 0.3 1 824 86 86 GLU CG C 35.614 0.3 1 825 86 86 GLU N N 127.210 0.3 1 826 87 87 GLY H H 9.049 0.020 1 827 87 87 GLY HA2 H 4.377 0.020 2 828 87 87 GLY HA3 H 3.391 0.020 2 829 87 87 GLY C C 173.963 0.3 1 830 87 87 GLY CA C 44.732 0.3 1 831 87 87 GLY N N 113.919 0.3 1 832 88 88 THR H H 7.552 0.020 1 833 88 88 THR HA H 4.759 0.020 1 834 88 88 THR HB H 3.899 0.020 1 835 88 88 THR HG2 H 0.517 0.020 1 836 88 88 THR C C 173.022 0.3 1 837 88 88 THR CA C 64.774 0.3 1 838 88 88 THR CB C 69.675 0.3 1 839 88 88 THR CG2 C 20.788 0.3 1 840 88 88 THR N N 117.895 0.3 1 841 89 89 VAL H H 8.626 0.020 1 842 89 89 VAL HA H 4.836 0.020 1 843 89 89 VAL HB H 1.925 0.020 1 844 89 89 VAL HG1 H 0.846 0.020 1 845 89 89 VAL HG2 H 0.663 0.020 1 846 89 89 VAL C C 176.614 0.3 1 847 89 89 VAL CA C 61.742 0.3 1 848 89 89 VAL CB C 31.269 0.3 1 849 89 89 VAL CG1 C 21.579 0.3 1 850 89 89 VAL CG2 C 21.166 0.3 1 851 89 89 VAL N N 127.598 0.3 1 852 90 90 CYS H H 8.917 0.020 1 853 90 90 CYS HA H 5.109 0.020 1 854 90 90 CYS HB2 H 2.773 0.020 2 855 90 90 CYS HB3 H 2.578 0.020 2 856 90 90 CYS C C 174.662 0.3 1 857 90 90 CYS CA C 58.204 0.3 1 858 90 90 CYS CB C 31.312 0.3 1 859 90 90 CYS N N 125.134 0.3 1 860 91 91 SER H H 9.285 0.020 1 861 91 91 SER HA H 5.306 0.020 1 862 91 91 SER HB2 H 3.417 0.020 2 863 91 91 SER HB3 H 3.328 0.020 2 864 91 91 SER C C 172.373 0.3 1 865 91 91 SER CA C 57.800 0.3 1 866 91 91 SER CB C 64.724 0.3 1 867 91 91 SER N N 115.722 0.3 1 868 92 92 VAL H H 8.916 0.020 1 869 92 92 VAL HA H 4.498 0.020 1 870 92 92 VAL HB H 1.654 0.020 1 871 92 92 VAL HG1 H 0.280 0.020 1 872 92 92 VAL HG2 H -0.246 0.020 1 873 92 92 VAL C C 176.438 0.3 1 874 92 92 VAL CA C 59.544 0.3 1 875 92 92 VAL CB C 32.087 0.3 1 876 92 92 VAL CG1 C 20.474 0.3 1 877 92 92 VAL CG2 C 19.722 0.3 1 878 92 92 VAL N N 126.233 0.3 1 879 93 93 LEU H H 7.521 0.020 1 880 93 93 LEU HA H 3.761 0.020 1 881 93 93 LEU HB2 H 1.312 0.020 1 882 93 93 LEU HB3 H 1.312 0.020 1 883 93 93 LEU HG H 0.891 0.020 1 884 93 93 LEU HD1 H -0.391 0.020 1 885 93 93 LEU HD2 H -0.391 0.020 1 886 93 93 LEU C C 172.815 0.3 1 887 93 93 LEU CA C 52.818 0.3 1 888 93 93 LEU CB C 37.032 0.3 1 889 93 93 LEU CG C 25.751 0.3 1 890 93 93 LEU CD1 C 20.639 0.3 1 891 93 93 LEU N N 124.670 0.3 1 892 94 94 ILE H H 7.122 0.020 1 893 94 94 ILE HA H 3.748 0.020 1 894 94 94 ILE HB H 2.226 0.020 1 895 94 94 ILE HG12 H 1.176 0.020 2 896 94 94 ILE HG13 H 0.858 0.020 2 897 94 94 ILE HG2 H 0.871 0.020 1 898 94 94 ILE HD1 H 0.481 0.020 1 899 94 94 ILE C C 175.048 0.3 1 900 94 94 ILE CA C 60.822 0.3 1 901 94 94 ILE CB C 37.559 0.3 1 902 94 94 ILE CG1 C 28.058 0.3 1 903 94 94 ILE CG2 C 17.459 0.3 1 904 94 94 ILE CD1 C 13.304 0.3 1 905 94 94 ILE N N 123.738 0.3 1 906 95 95 LYS H H 7.474 0.020 1 907 95 95 LYS HA H 4.555 0.020 1 908 95 95 LYS HB2 H 1.031 0.020 2 909 95 95 LYS HB3 H 0.196 0.020 2 910 95 95 LYS C C 175.233 0.3 1 911 95 95 LYS CA C 54.758 0.3 1 912 95 95 LYS CB C 35.302 0.3 1 913 95 95 LYS CG C 26.37 0.3 1 914 95 95 LYS CD C 30.062 0.3 1 915 95 95 LYS CE C 42.940 0.3 1 916 95 95 LYS N N 126.524 0.3 1 917 96 96 ARG H H 7.778 0.020 1 918 96 96 ARG HA H 4.780 0.020 1 919 96 96 ARG HB2 H 1.854 0.020 1 920 96 96 ARG HB3 H 1.854 0.020 1 921 96 96 ARG HG2 H 1.729 0.020 1 922 96 96 ARG HG3 H 1.729 0.020 1 923 96 96 ARG HD2 H 3.253 0.020 1 924 96 96 ARG HD3 H 3.253 0.020 1 925 96 96 ARG C C 178.417 0.3 1 926 96 96 ARG CA C 52.558 0.3 1 927 96 96 ARG CB C 32.228 0.3 1 928 96 96 ARG CG C 28.486 0.3 1 929 96 96 ARG CD C 43.383 0.3 1 930 96 96 ARG N N 117.822 0.3 1 931 97 97 ASP H H 9.304 0.020 1 932 97 97 ASP HA H 4.580 0.020 1 933 97 97 ASP HB2 H 2.790 0.020 2 934 97 97 ASP HB3 H 2.703 0.020 2 935 97 97 ASP C C 176.670 0.3 1 936 97 97 ASP CA C 57.052 0.3 1 937 97 97 ASP CB C 40.374 0.3 1 938 97 97 ASP N N 123.530 0.3 1 939 98 98 SER H H 7.970 0.020 1 940 98 98 SER HA H 4.258 0.020 1 941 98 98 SER HB2 H 3.939 0.020 1 942 98 98 SER HB3 H 3.939 0.020 1 943 98 98 SER C C 175.440 0.3 1 944 98 98 SER CA C 58.538 0.3 1 945 98 98 SER CB C 63.239 0.3 1 946 98 98 SER N N 111.768 0.3 1 947 99 99 GLY H H 8.213 0.020 1 948 99 99 GLY HA2 H 4.320 0.020 2 949 99 99 GLY HA3 H 3.614 0.020 2 950 99 99 GLY C C 173.883 0.3 1 951 99 99 GLY CA C 44.799 0.3 1 952 99 99 GLY N N 109.749 0.3 1 953 100 100 GLU H H 7.870 0.020 1 954 100 100 GLU HA H 3.913 0.020 1 955 100 100 GLU HB2 H 1.671 0.020 1 956 100 100 GLU HB3 H 1.671 0.020 1 957 100 100 GLU HG2 H 2.155 0.020 2 958 100 100 GLU HG3 H 2.041 0.020 2 959 100 100 GLU C C 174.054 0.3 1 960 100 100 GLU CA C 57.211 0.3 1 961 100 100 GLU CB C 30.387 0.3 1 962 100 100 GLU CG C 36.331 0.3 1 963 100 100 GLU N N 121.222 0.3 1 964 101 101 LEU H H 7.880 0.020 1 965 101 101 LEU HA H 4.200 0.020 1 966 101 101 LEU HB2 H 1.037 0.020 2 967 101 101 LEU HB3 H -0.353 0.020 2 968 101 101 LEU HG H 0.712 0.020 1 969 101 101 LEU HD1 H -0.096 0.020 1 970 101 101 LEU HD2 H -0.016 0.020 1 971 101 101 LEU C C 175.841 0.3 1 972 101 101 LEU CA C 53.550 0.3 1 973 101 101 LEU CB C 40.473 0.3 1 974 101 101 LEU CG C 24.474 0.3 1 975 101 101 LEU CD1 C 23.769 0.3 1 976 101 101 LEU CD2 C 22.673 0.3 1 977 101 101 LEU N N 122.716 0.3 1 978 102 102 LEU H H 9.259 0.020 1 979 102 102 LEU HA H 4.729 0.020 1 980 102 102 LEU HB2 H 1.529 0.020 2 981 102 102 LEU HB3 H 1.133 0.020 2 982 102 102 LEU HG H 1.274 0.020 1 983 102 102 LEU HD1 H 0.661 0.020 1 984 102 102 LEU HD2 H 0.513 0.020 1 985 102 102 LEU C C 177.322 0.3 1 986 102 102 LEU CA C 51.558 0.3 1 987 102 102 LEU CB C 43.831 0.3 1 988 102 102 LEU CG C 24.755 0.3 1 989 102 102 LEU CD1 C 21.321 0.3 1 990 102 102 LEU CD2 C 21.127 0.3 1 991 102 102 LEU N N 127.241 0.3 1 992 103 103 PRO HA H 5.264 0.020 1 993 103 103 PRO HB2 H 2.276 0.020 1 994 103 103 PRO HB3 H 2.276 0.020 1 995 103 103 PRO HD2 H 3.755 0.020 2 996 103 103 PRO HD3 H 3.579 0.020 2 997 103 103 PRO C C 176.739 0.3 1 998 103 103 PRO CA C 60.926 0.3 1 999 103 103 PRO CB C 26.999 0.3 1 1000 103 103 PRO CD C 48.913 0.3 1 1001 104 104 LEU H H 8.284 0.020 1 1002 104 104 LEU HA H 4.454 0.020 1 1003 104 104 LEU HB2 H 1.318 0.020 2 1004 104 104 LEU HB3 H 1.219 0.020 2 1005 104 104 LEU HG H 1.257 0.020 1 1006 104 104 LEU HD1 H 0.746 0.020 1 1007 104 104 LEU HD2 H 0.746 0.020 1 1008 104 104 LEU C C 175.415 0.3 1 1009 104 104 LEU CA C 54.177 0.3 1 1010 104 104 LEU CB C 43.369 0.3 1 1011 104 104 LEU CD1 C 25.923 0.3 1 1012 104 104 LEU CD2 C 25.834 0.3 1 1013 104 104 LEU N N 126.408 0.3 1 1014 105 105 ALA H H 8.437 0.020 1 1015 105 105 ALA HA H 5.031 0.020 1 1016 105 105 ALA HB H 1.126 0.020 1 1017 105 105 ALA C C 176.859 0.3 1 1018 105 105 ALA CA C 51.220 0.3 1 1019 105 105 ALA CB C 20.126 0.3 1 1020 105 105 ALA N N 126.257 0.3 1 1021 106 106 VAL H H 8.745 0.020 1 1022 106 106 VAL HA H 4.652 0.020 1 1023 106 106 VAL HB H 1.599 0.020 1 1024 106 106 VAL HG1 H 0.636 0.020 1 1025 106 106 VAL HG2 H 0.603 0.020 1 1026 106 106 VAL C C 173.562 0.3 1 1027 106 106 VAL CA C 59.407 0.3 1 1028 106 106 VAL CB C 35.834 0.3 1 1029 106 106 VAL CG1 C 23.117 0.3 1 1030 106 106 VAL CG2 C 21.611 0.3 1 1031 106 106 VAL N N 120.249 0.3 1 1032 107 107 ARG H H 8.812 0.020 1 1033 107 107 ARG HA H 4.567 0.020 1 1034 107 107 ARG HB2 H 1.599 0.020 1 1035 107 107 ARG HB3 H 1.599 0.020 1 1036 107 107 ARG HG2 H 1.360 0.020 1 1037 107 107 ARG HG3 H 1.360 0.020 1 1038 107 107 ARG HD2 H 3.157 0.020 1 1039 107 107 ARG HD3 H 3.157 0.020 1 1040 107 107 ARG C C 176.543 0.3 1 1041 107 107 ARG CA C 54.988 0.3 1 1042 107 107 ARG CB C 28.859 0.3 1 1043 107 107 ARG CG C 27.238 0.3 1 1044 107 107 ARG CD C 43.447 0.3 1 1045 107 107 ARG N N 126.126 0.3 1 1046 108 108 MET H H 8.888 0.020 1 1047 108 108 MET HA H 4.927 0.020 1 1048 108 108 MET HB2 H 1.926 0.020 1 1049 108 108 MET HB3 H 1.926 0.020 1 1050 108 108 MET HG2 H 2.570 0.020 1 1051 108 108 MET HG3 H 2.570 0.020 1 1052 108 108 MET C C 177.572 0.3 1 1053 108 108 MET CA C 54.922 0.3 1 1054 108 108 MET CB C 35.780 0.3 1 1055 108 108 MET CG C 31.656 0.3 1 1056 108 108 MET N N 128.493 0.3 1 1057 109 109 GLY H H 9.664 0.020 1 1058 109 109 GLY HA2 H 3.556 0.020 1 1059 109 109 GLY HA3 H 3.556 0.020 1 1060 109 109 GLY C C 172.359 0.3 1 1061 109 109 GLY CA C 44.030 0.3 1 1062 109 109 GLY N N 114.976 0.3 1 1063 110 110 ALA H H 8.260 0.020 1 1064 110 110 ALA HA H 4.436 0.020 1 1065 110 110 ALA HB H 1.354 0.020 1 1066 110 110 ALA C C 178.739 0.3 1 1067 110 110 ALA CA C 51.759 0.3 1 1068 110 110 ALA CB C 20.082 0.3 1 1069 110 110 ALA N N 125.243 0.3 1 1070 111 111 ILE H H 8.588 0.020 1 1071 111 111 ILE HA H 4.411 0.020 1 1072 111 111 ILE HB H 1.613 0.020 1 1073 111 111 ILE HG12 H 1.289 0.020 1 1074 111 111 ILE HG13 H 1.289 0.020 1 1075 111 111 ILE HG2 H 0.734 0.020 1 1076 111 111 ILE HD1 H 0.588 0.020 1 1077 111 111 ILE C C 175.672 0.3 1 1078 111 111 ILE CA C 61.550 0.3 1 1079 111 111 ILE CB C 37.642 0.3 1 1080 111 111 ILE CG1 C 27.774 0.3 1 1081 111 111 ILE CG2 C 17.099 0.3 1 1082 111 111 ILE CD1 C 16.976 0.3 1 1083 111 111 ILE N N 122.994 0.3 1 1084 112 112 ALA H H 9.112 0.020 1 1085 112 112 ALA HA H 4.601 0.020 1 1086 112 112 ALA HB H 1.314 0.020 1 1087 112 112 ALA C C 175.522 0.3 1 1088 112 112 ALA CA C 51.404 0.3 1 1089 112 112 ALA CB C 22.670 0.3 1 1090 112 112 ALA N N 130.505 0.3 1 1091 113 113 SER H H 8.326 0.020 1 1092 113 113 SER HA H 5.197 0.020 1 1093 113 113 SER HB2 H 3.795 0.020 1 1094 113 113 SER HB3 H 3.795 0.020 1 1095 113 113 SER C C 173.981 0.3 1 1096 113 113 SER CA C 57.990 0.3 1 1097 113 113 SER CB C 63.614 0.3 1 1098 113 113 SER N N 114.820 0.3 1 1099 114 114 MET H H 9.006 0.020 1 1100 114 114 MET HA H 4.639 0.020 1 1101 114 114 MET HB2 H 1.906 0.020 2 1102 114 114 MET HB3 H 1.739 0.020 2 1103 114 114 MET HG2 H 2.408 0.020 2 1104 114 114 MET HG3 H 2.206 0.020 2 1105 114 114 MET C C 173.569 0.3 1 1106 114 114 MET CA C 54.183 0.3 1 1107 114 114 MET CB C 36.039 0.3 1 1108 114 114 MET CG C 31.117 0.3 1 1109 114 114 MET N N 124.057 0.3 1 1110 115 115 ARG H H 8.643 0.020 1 1111 115 115 ARG HA H 4.864 0.020 1 1112 115 115 ARG HB2 H 1.576 0.020 1 1113 115 115 ARG HB3 H 1.576 0.020 1 1114 115 115 ARG HG2 H 1.335 0.020 2 1115 115 115 ARG HG3 H 1.292 0.020 2 1116 115 115 ARG HD2 H 3.002 0.020 1 1117 115 115 ARG HD3 H 3.002 0.020 1 1118 115 115 ARG C C 175.645 0.3 1 1119 115 115 ARG CA C 54.738 0.3 1 1120 115 115 ARG CB C 30.303 0.3 1 1121 115 115 ARG CG C 27.475 0.3 1 1122 115 115 ARG CD C 42.738 0.3 1 1123 115 115 ARG N N 122.928 0.3 1 1124 116 116 ILE H H 8.858 0.020 1 1125 116 116 ILE HA H 4.217 0.020 1 1126 116 116 ILE HB H 1.579 0.020 1 1127 116 116 ILE HG12 H 1.228 0.020 2 1128 116 116 ILE HG13 H 0.943 0.020 2 1129 116 116 ILE HG2 H 0.741 0.020 1 1130 116 116 ILE HD1 H 0.593 0.020 1 1131 116 116 ILE C C 175.242 0.3 1 1132 116 116 ILE CA C 59.994 0.3 1 1133 116 116 ILE CB C 39.959 0.3 1 1134 116 116 ILE CG1 C 26.741 0.3 1 1135 116 116 ILE CG2 C 17.393 0.3 1 1136 116 116 ILE CD1 C 12.926 0.3 1 1137 116 116 ILE N N 126.318 0.3 1 1138 117 117 GLN H H 9.494 0.020 1 1139 117 117 GLN HA H 3.800 0.020 1 1140 117 117 GLN HB2 H 2.268 0.020 2 1141 117 117 GLN HB3 H 1.977 0.020 2 1142 117 117 GLN HG2 H 2.281 0.020 1 1143 117 117 GLN HG3 H 2.281 0.020 1 1144 117 117 GLN HE21 H 6.782 0.020 1 1145 117 117 GLN HE22 H 7.520 0.020 1 1146 117 117 GLN C C 175.870 0.3 1 1147 117 117 GLN CA C 56.630 0.3 1 1148 117 117 GLN CB C 26.637 0.3 1 1149 117 117 GLN CG C 34.344 0.3 1 1150 117 117 GLN N N 126.910 0.3 1 1151 117 117 GLN NE2 N 111.874 0.3 1 1152 118 118 GLY H H 8.510 0.020 1 1153 118 118 GLY HA2 H 4.119 0.020 2 1154 118 118 GLY HA3 H 3.515 0.020 2 1155 118 118 GLY C C 173.725 0.3 1 1156 118 118 GLY CA C 45.317 0.3 1 1157 118 118 GLY N N 102.989 0.3 1 1158 119 119 ARG H H 7.780 0.020 1 1159 119 119 ARG HA H 4.588 0.020 1 1160 119 119 ARG HB2 H 1.640 0.020 1 1161 119 119 ARG HB3 H 1.640 0.020 1 1162 119 119 ARG HG2 H 1.456 0.020 1 1163 119 119 ARG HG3 H 1.456 0.020 1 1164 119 119 ARG HD2 H 3.072 0.020 1 1165 119 119 ARG HD3 H 3.072 0.020 1 1166 119 119 ARG C C 174.208 0.3 1 1167 119 119 ARG CA C 54.374 0.3 1 1168 119 119 ARG CB C 32.411 0.3 1 1169 119 119 ARG CG C 27.036 0.3 1 1170 119 119 ARG CD C 43.270 0.3 1 1171 119 119 ARG N N 120.849 0.3 1 1172 120 120 LEU H H 8.531 0.020 1 1173 120 120 LEU HA H 4.553 0.020 1 1174 120 120 LEU HB2 H 1.640 0.020 1 1175 120 120 LEU HB3 H 1.640 0.020 1 1176 120 120 LEU HG H 1.364 0.020 1 1177 120 120 LEU HD1 H 0.760 0.020 1 1178 120 120 LEU HD2 H 0.736 0.020 1 1179 120 120 LEU C C 176.031 0.3 1 1180 120 120 LEU CA C 54.595 0.3 1 1181 120 120 LEU CB C 42.493 0.3 1 1182 120 120 LEU CG C 27.305 0.3 1 1183 120 120 LEU CD1 C 24.510 0.3 1 1184 120 120 LEU CD2 C 23.864 0.3 1 1185 120 120 LEU N N 124.608 0.3 1 1186 121 121 VAL H H 9.161 0.020 1 1187 121 121 VAL C C 173.017 0.3 1 1188 121 121 VAL CA C 60.423 0.3 1 1189 121 121 VAL CB C 34.545 0.3 1 1190 121 121 VAL N N 125.392 0.3 1 1191 122 122 HIS H H 8.612 0.020 1 1192 122 122 HIS HD2 H 6.994 0.020 1 1193 122 122 HIS C C 179.782 0.3 1 1194 122 122 HIS CA C 56.797 0.3 1 1195 122 122 HIS CB C 33.981 0.3 1 1196 122 122 HIS N N 124.908 0.3 1 1197 123 123 GLY H H 8.387 0.020 1 1198 123 123 GLY HA2 H 3.830 0.020 1 1199 123 123 GLY HA3 H 3.830 0.020 1 1200 123 123 GLY C C 169.469 0.3 1 1201 123 123 GLY CA C 45.627 0.3 1 1202 123 123 GLY N N 113.281 0.3 1 1203 124 124 GLN H H 9.022 0.020 1 1204 124 124 GLN HA H 4.555 0.020 1 1205 124 124 GLN HB2 H 1.593 0.020 1 1206 124 124 GLN HB3 H 1.593 0.020 1 1207 124 124 GLN HG2 H 1.949 0.020 1 1208 124 124 GLN HG3 H 1.949 0.020 1 1209 124 124 GLN N N 121.182 0.3 1 1210 125 125 SER HA H 5.209 0.020 1 1211 125 125 SER HB2 H 3.864 0.020 2 1212 125 125 SER HB3 H 3.819 0.020 2 1213 125 125 SER C C 173.331 0.3 1 1214 125 125 SER CA C 57.523 0.3 1 1215 125 125 SER CB C 64.916 0.3 1 1216 126 126 GLY H H 8.909 0.020 1 1217 126 126 GLY HA2 H 4.751 0.020 1 1218 126 126 GLY HA3 H 4.751 0.020 1 1219 126 126 GLY C C 171.214 0.3 1 1220 126 126 GLY CA C 45.620 0.3 1 1221 126 126 GLY N N 107.968 0.3 1 1222 127 127 MET H H 8.416 0.020 1 1223 127 127 MET HA H 5.206 0.020 1 1224 127 127 MET HB2 H 1.935 0.020 1 1225 127 127 MET HB3 H 1.935 0.020 1 1226 127 127 MET HG2 H 2.574 0.020 1 1227 127 127 MET HG3 H 2.574 0.020 1 1228 127 127 MET C C 175.385 0.3 1 1229 127 127 MET CA C 53.546 0.3 1 1230 127 127 MET CB C 35.550 0.3 1 1231 127 127 MET CG C 31.344 0.3 1 1232 127 127 MET N N 119.810 0.3 1 1233 128 128 LEU H H 8.588 0.020 1 1234 128 128 LEU HA H 4.318 0.020 1 1235 128 128 LEU HB2 H 1.618 0.020 1 1236 128 128 LEU HB3 H 1.618 0.020 1 1237 128 128 LEU HG H 1.620 0.020 1 1238 128 128 LEU HD1 H 0.890 0.020 1 1239 128 128 LEU HD2 H 0.770 0.020 1 1240 128 128 LEU C C 177.020 0.3 1 1241 128 128 LEU CA C 56.166 0.3 1 1242 128 128 LEU CB C 42.272 0.3 1 1243 128 128 LEU CG C 27.376 0.3 1 1244 128 128 LEU CD1 C 25.833 0.3 1 1245 128 128 LEU CD2 C 24.736 0.3 1 1246 128 128 LEU N N 125.871 0.3 1 1247 129 129 LEU H H 8.384 0.020 1 1248 129 129 LEU HA H 4.453 0.020 1 1249 129 129 LEU HB2 H 1.440 0.020 1 1250 129 129 LEU HB3 H 1.440 0.020 1 1251 129 129 LEU HG H 1.151 0.020 1 1252 129 129 LEU HD1 H 0.744 0.020 1 1253 129 129 LEU HD2 H 0.636 0.020 1 1254 129 129 LEU C C 177.205 0.3 1 1255 129 129 LEU CA C 54.355 0.3 1 1256 129 129 LEU CB C 41.555 0.3 1 1257 129 129 LEU CG C 27.047 0.3 1 1258 129 129 LEU CD1 C 23.453 0.3 1 1259 129 129 LEU CD2 C 22.850 0.3 1 1260 129 129 LEU N N 124.647 0.3 1 1261 130 130 THR H H 7.994 0.020 1 1262 130 130 THR HA H 4.775 0.020 1 1263 130 130 THR HB H 4.198 0.020 1 1264 130 130 THR HG2 H 1.206 0.020 1 1265 130 130 THR C C 174.940 0.3 1 1266 130 130 THR CA C 61.640 0.3 1 1267 130 130 THR CB C 69.872 0.3 1 1268 130 130 THR CG2 C 21.453 0.3 1 1269 130 130 THR N N 114.848 0.3 1 1270 131 131 GLY H H 8.530 0.020 1 1271 131 131 GLY HA2 H 4.017 0.020 2 1272 131 131 GLY HA3 H 3.902 0.020 2 1273 131 131 GLY C C 173.984 0.3 1 1274 131 131 GLY CA C 45.200 0.3 1 1275 131 131 GLY N N 110.907 0.3 1 1276 132 132 ALA H H 8.251 0.020 1 1277 132 132 ALA HA H 4.298 0.020 1 1278 132 132 ALA HB H 1.358 0.020 1 1279 132 132 ALA C C 177.554 0.3 1 1280 132 132 ALA CA C 52.547 0.3 1 1281 132 132 ALA CB C 19.232 0.3 1 1282 132 132 ALA N N 123.416 0.3 1 1283 133 133 ASN H H 8.314 0.020 1 1284 133 133 ASN HA H 4.698 0.020 1 1285 133 133 ASN HB2 H 2.845 0.020 2 1286 133 133 ASN HB3 H 2.803 0.020 2 1287 133 133 ASN HD21 H 7.676 0.020 1 1288 133 133 ASN HD22 H 7.019 0.020 1 1289 133 133 ASN C C 174.943 0.3 1 1290 133 133 ASN CA C 52.835 0.3 1 1291 133 133 ASN CB C 38.981 0.3 1 1292 133 133 ASN N N 116.454 0.3 1 1293 133 133 ASN ND2 N 113.243 0.3 1 1294 134 134 ALA H H 8.160 0.020 1 1295 134 134 ALA HA H 4.269 0.020 1 1296 134 134 ALA HB H 1.362 0.020 1 1297 134 134 ALA C C 177.632 0.3 1 1298 134 134 ALA CA C 52.817 0.3 1 1299 134 134 ALA CB C 19.096 0.3 1 1300 134 134 ALA N N 123.588 0.3 1 1301 135 135 LYS H H 8.252 0.020 1 1302 135 135 LYS HA H 4.236 0.020 1 1303 135 135 LYS HB2 H 1.851 0.020 2 1304 135 135 LYS HB3 H 1.759 0.020 2 1305 135 135 LYS HG2 H 1.437 0.020 2 1306 135 135 LYS HG3 H 1.377 0.020 2 1307 135 135 LYS HD2 H 1.713 0.020 1 1308 135 135 LYS HD3 H 1.713 0.020 1 1309 135 135 LYS HE2 H 2.991 0.020 1 1310 135 135 LYS HE3 H 2.991 0.020 1 1311 135 135 LYS C C 177.093 0.3 1 1312 135 135 LYS CA C 56.515 0.3 1 1313 135 135 LYS CB C 31.965 0.3 1 1314 135 135 LYS CG C 24.776 0.3 1 1315 135 135 LYS CD C 29.014 0.3 1 1316 135 135 LYS CE C 41.751 0.3 1 1317 135 135 LYS N N 119.054 0.3 1 1318 136 136 GLY H H 8.365 0.020 1 1319 136 136 GLY HA2 H 4.016 0.020 2 1320 136 136 GLY HA3 H 3.849 0.020 2 1321 136 136 GLY C C 174.130 0.3 1 1322 136 136 GLY CA C 45.492 0.3 1 1323 136 136 GLY N N 109.493 0.3 1 1324 137 137 MET H H 7.994 0.020 1 1325 137 137 MET HA H 4.470 0.020 1 1326 137 137 MET HB2 H 2.049 0.020 2 1327 137 137 MET HB3 H 1.944 0.020 2 1328 137 137 MET HG2 H 2.532 0.020 2 1329 137 137 MET HG3 H 2.447 0.020 2 1330 137 137 MET C C 175.481 0.3 1 1331 137 137 MET CA C 55.132 0.3 1 1332 137 137 MET CB C 33.080 0.3 1 1333 137 137 MET CG C 31.712 0.3 1 1334 137 137 MET N N 119.142 0.3 1 1335 138 138 ASP H H 8.430 0.020 1 1336 138 138 ASP HA H 4.564 0.020 1 1337 138 138 ASP HB2 H 2.699 0.020 2 1338 138 138 ASP HB3 H 2.571 0.020 2 1339 138 138 ASP C C 175.806 0.3 1 1340 138 138 ASP CA C 54.294 0.3 1 1341 138 138 ASP CB C 40.620 0.3 1 1342 138 138 ASP N N 121.297 0.3 1 1343 139 139 LEU H H 8.038 0.020 1 1344 139 139 LEU HA H 4.344 0.020 1 1345 139 139 LEU HB2 H 1.562 0.020 1 1346 139 139 LEU HB3 H 1.562 0.020 1 1347 139 139 LEU HG H 1.547 0.020 1 1348 139 139 LEU HD1 H 0.861 0.020 1 1349 139 139 LEU HD2 H 0.801 0.020 1 1350 139 139 LEU C C 176.379 0.3 1 1351 139 139 LEU CA C 54.925 0.3 1 1352 139 139 LEU CB C 42.417 0.3 1 1353 139 139 LEU CG C 27.039 0.3 1 1354 139 139 LEU CD1 C 25.464 0.3 1 1355 139 139 LEU CD2 C 23.429 0.3 1 1356 139 139 LEU N N 122.703 0.3 1 1357 140 140 GLY H H 7.948 0.020 1 1358 140 140 GLY HA2 H 3.961 0.020 2 1359 140 140 GLY HA3 H 3.830 0.020 2 1360 140 140 GLY C C 173.241 0.3 1 1361 140 140 GLY CA C 44.640 0.3 1 1362 140 140 GLY N N 107.562 0.3 1 1363 141 141 THR H H 8.003 0.020 1 1364 141 141 THR HA H 4.771 0.020 1 1365 141 141 THR HB H 4.312 0.020 1 1366 141 141 THR HG2 H 0.936 0.020 1 1367 141 141 THR C C 174.420 0.3 1 1368 141 141 THR CA C 60.726 0.3 1 1369 141 141 THR CB C 70.588 0.3 1 1370 141 141 THR CG2 C 22.408 0.3 1 1371 141 141 THR N N 109.606 0.3 1 1372 142 142 ILE H H 8.965 0.020 1 1373 142 142 ILE HA H 4.520 0.020 1 1374 142 142 ILE HB H 2.212 0.020 1 1375 142 142 ILE C C 177.392 0.3 1 1376 142 142 ILE CA C 59.397 0.3 1 1377 142 142 ILE CB C 38.590 0.3 1 1378 142 142 ILE N N 116.355 0.3 1 1379 143 143 PRO HA H 4.432 0.020 1 1380 143 143 PRO HB2 H 2.516 0.020 2 1381 143 143 PRO HB3 H 2.440 0.020 2 1382 143 143 PRO HG2 H 2.243 0.020 2 1383 143 143 PRO HG3 H 2.014 0.020 2 1384 143 143 PRO HD2 H 3.945 0.020 2 1385 143 143 PRO HD3 H 3.870 0.020 2 1386 143 143 PRO C C 179.208 0.3 1 1387 143 143 PRO CA C 66.370 0.3 1 1388 143 143 PRO CB C 32.040 0.3 1 1389 143 143 PRO CG C 27.909 0.3 1 1390 143 143 PRO CD C 50.804 0.3 1 1391 144 144 GLY H H 8.598 0.020 1 1392 144 144 GLY HA2 H 3.898 0.020 1 1393 144 144 GLY HA3 H 3.898 0.020 1 1394 144 144 GLY C C 172.783 0.3 1 1395 144 144 GLY CA C 45.453 0.3 1 1396 144 144 GLY N N 104.013 0.3 1 1397 145 145 ASP H H 7.981 0.020 1 1398 145 145 ASP HA H 4.787 0.020 1 1399 145 145 ASP HB2 H 2.705 0.020 2 1400 145 145 ASP HB3 H 2.675 0.020 2 1401 145 145 ASP C C 176.101 0.3 1 1402 145 145 ASP CA C 54.681 0.3 1 1403 145 145 ASP CB C 41.787 0.3 1 1404 145 145 ASP N N 118.112 0.3 1 1405 146 146 CYS H H 7.684 0.020 1 1406 146 146 CYS HA H 4.295 0.020 1 1407 146 146 CYS HB2 H 3.061 0.020 1 1408 146 146 CYS HB3 H 3.061 0.020 1 1409 146 146 CYS C C 173.263 0.3 1 1410 146 146 CYS CA C 63.137 0.3 1 1411 146 146 CYS CB C 28.013 0.3 1 1412 146 146 CYS N N 114.759 0.3 1 1413 147 147 GLY H H 9.357 0.020 1 1414 147 147 GLY HA2 H 4.120 0.020 2 1415 147 147 GLY HA3 H 3.510 0.020 2 1416 147 147 GLY C C 172.163 0.3 1 1417 147 147 GLY CA C 45.205 0.3 1 1418 147 147 GLY N N 112.539 0.3 1 1419 148 148 ALA H H 7.770 0.020 1 1420 148 148 ALA HA H 4.113 0.020 1 1421 148 148 ALA HB H 1.205 0.020 1 1422 148 148 ALA C C 175.764 0.3 1 1423 148 148 ALA CA C 50.452 0.3 1 1424 148 148 ALA CB C 18.398 0.3 1 1425 148 148 ALA N N 119.462 0.3 1 1426 149 149 PRO HA H 4.838 0.020 1 1427 149 149 PRO HD2 H 4.012 0.020 2 1428 149 149 PRO HD3 H 3.422 0.020 2 1429 149 149 PRO C C 174.091 0.3 1 1430 149 149 PRO CA C 62.042 0.3 1 1431 149 149 PRO CB C 31.586 0.3 1 1432 149 149 PRO CD C 48.532 0.3 1 1433 150 150 TYR H H 8.127 0.020 1 1434 150 150 TYR HA H 4.882 0.020 1 1435 150 150 TYR HB2 H 2.797 0.020 2 1436 150 150 TYR HB3 H 2.790 0.020 2 1437 150 150 TYR HD1 H 7.009 0.020 3 1438 150 150 TYR HD2 H 7.010 0.020 3 1439 150 150 TYR C C 175.125 0.3 1 1440 150 150 TYR CA C 56.719 0.3 1 1441 150 150 TYR CB C 38.603 0.3 1 1442 150 150 TYR N N 121.217 0.3 1 1443 151 151 VAL H H 8.960 0.020 1 1444 151 151 VAL HA H 5.915 0.020 1 1445 151 151 VAL HB H 2.307 0.020 1 1446 151 151 VAL HG1 H 0.672 0.020 1 1447 151 151 VAL HG2 H 0.675 0.020 1 1448 151 151 VAL C C 175.064 0.3 1 1449 151 151 VAL CA C 57.782 0.3 1 1450 151 151 VAL CB C 36.158 0.3 1 1451 151 151 VAL CG1 C 18.935 0.3 1 1452 151 151 VAL CG2 C 18.944 0.3 1 1453 151 151 VAL N N 113.180 0.3 1 1454 152 152 HIS H H 8.945 0.020 1 1455 152 152 HIS HA H 5.041 0.020 1 1456 152 152 HIS HB2 H 3.699 0.020 2 1457 152 152 HIS HB3 H 3.109 0.020 2 1458 152 152 HIS HD2 H 6.791 0.020 1 1459 152 152 HIS C C 171.510 0.3 1 1460 152 152 HIS CA C 55.109 0.3 1 1461 152 152 HIS CB C 32.623 0.3 1 1462 152 152 HIS N N 115.100 0.3 1 1463 153 153 LYS H H 8.378 0.020 1 1464 153 153 LYS HA H 3.908 0.020 1 1465 153 153 LYS HB2 H 0.937 0.020 2 1466 153 153 LYS HB3 H -0.347 0.020 2 1467 153 153 LYS HG2 H 0.178 0.020 2 1468 153 153 LYS HG3 H -0.331 0.020 2 1469 153 153 LYS HD2 H 0.739 0.020 2 1470 153 153 LYS HD3 H 0.665 0.020 2 1471 153 153 LYS HE2 H 2.549 0.020 2 1472 153 153 LYS HE3 H 2.273 0.020 2 1473 153 153 LYS C C 175.866 0.3 1 1474 153 153 LYS CA C 55.345 0.3 1 1475 153 153 LYS CB C 32.479 0.3 1 1476 153 153 LYS CG C 24.314 0.3 1 1477 153 153 LYS CD C 28.838 0.3 1 1478 153 153 LYS CE C 41.658 0.3 1 1479 153 153 LYS N N 122.651 0.3 1 1480 154 154 ARG H H 8.732 0.020 1 1481 154 154 ARG HA H 4.556 0.020 1 1482 154 154 ARG HB2 H 1.618 0.020 1 1483 154 154 ARG HB3 H 1.618 0.020 1 1484 154 154 ARG HG2 H 1.336 0.020 1 1485 154 154 ARG HG3 H 1.336 0.020 1 1486 154 154 ARG HD2 H 3.167 0.020 1 1487 154 154 ARG HD3 H 3.167 0.020 1 1488 154 154 ARG C C 175.435 0.3 1 1489 154 154 ARG CA C 54.897 0.3 1 1490 154 154 ARG CB C 32.435 0.3 1 1491 154 154 ARG CG C 27.401 0.3 1 1492 154 154 ARG CD C 43.592 0.3 1 1493 154 154 ARG N N 130.911 0.3 1 1494 155 155 GLY H H 8.887 0.020 1 1495 155 155 GLY HA2 H 3.896 0.020 2 1496 155 155 GLY HA3 H 3.511 0.020 2 1497 155 155 GLY C C 174.247 0.3 1 1498 155 155 GLY CA C 46.645 0.3 1 1499 155 155 GLY N N 118.048 0.3 1 1500 156 156 ASN H H 9.004 0.020 1 1501 156 156 ASN HA H 4.594 0.020 1 1502 156 156 ASN HB2 H 2.896 0.020 2 1503 156 156 ASN HB3 H 2.571 0.020 2 1504 156 156 ASN HD21 H 7.673 0.020 1 1505 156 156 ASN HD22 H 6.972 0.020 1 1506 156 156 ASN C C 174.393 0.3 1 1507 156 156 ASN CA C 53.318 0.3 1 1508 156 156 ASN CB C 39.399 0.3 1 1509 156 156 ASN N N 124.476 0.3 1 1510 156 156 ASN ND2 N 114.022 0.3 1 1511 157 157 ASP H H 7.716 0.020 1 1512 157 157 ASP HA H 4.950 0.020 1 1513 157 157 ASP HB2 H 2.606 0.020 2 1514 157 157 ASP HB3 H 2.552 0.020 2 1515 157 157 ASP C C 173.961 0.3 1 1516 157 157 ASP CA C 53.445 0.3 1 1517 157 157 ASP CB C 43.913 0.3 1 1518 157 157 ASP N N 118.959 0.3 1 1519 158 158 TRP H H 8.675 0.020 1 1520 158 158 TRP HA H 4.771 0.020 1 1521 158 158 TRP HB2 H 3.021 0.020 2 1522 158 158 TRP HB3 H 2.826 0.020 2 1523 158 158 TRP HD1 H 7.305 0.020 1 1524 158 158 TRP HE1 H 10.297 0.020 1 1525 158 158 TRP C C 174.774 0.3 1 1526 158 158 TRP CA C 55.840 0.3 1 1527 158 158 TRP CB C 30.419 0.3 1 1528 158 158 TRP N N 121.297 0.3 1 1529 158 158 TRP NE1 N 128.776 0.3 1 1530 159 159 VAL H H 8.942 0.020 1 1531 159 159 VAL HA H 4.518 0.020 1 1532 159 159 VAL HB H 1.296 0.020 1 1533 159 159 VAL HG1 H 0.668 0.020 1 1534 159 159 VAL HG2 H 0.361 0.020 1 1535 159 159 VAL C C 174.674 0.3 1 1536 159 159 VAL CA C 60.316 0.3 1 1537 159 159 VAL CB C 34.267 0.3 1 1538 159 159 VAL CG1 C 21.023 0.3 1 1539 159 159 VAL CG2 C 19.665 0.3 1 1540 159 159 VAL N N 120.743 0.3 1 1541 160 160 VAL H H 8.669 0.020 1 1542 160 160 VAL HA H 5.299 0.020 1 1543 160 160 VAL HB H 1.860 0.020 1 1544 160 160 VAL HG1 H 1.206 0.020 1 1545 160 160 VAL HG2 H 0.899 0.020 1 1546 160 160 VAL C C 174.096 0.3 1 1547 160 160 VAL CA C 58.221 0.3 1 1548 160 160 VAL CB C 33.911 0.3 1 1549 160 160 VAL N N 121.401 0.3 1 1550 161 161 CYS H H 9.154 0.020 1 1551 161 161 CYS HA H 5.815 0.020 1 1552 161 161 CYS HB2 H 3.007 0.020 2 1553 161 161 CYS HB3 H 2.489 0.020 2 1554 161 161 CYS C C 173.995 0.3 1 1555 161 161 CYS CA C 56.044 0.3 1 1556 161 161 CYS CB C 30.940 0.3 1 1557 161 161 CYS N N 120.407 0.3 1 1558 162 162 GLY H H 7.417 0.020 1 1559 162 162 GLY HA2 H 4.547 0.020 2 1560 162 162 GLY HA3 H 4.292 0.020 2 1561 162 162 GLY C C 171.306 0.3 1 1562 162 162 GLY CA C 46.255 0.3 1 1563 162 162 GLY N N 107.378 0.3 1 1564 163 163 VAL H H 8.138 0.020 1 1565 163 163 VAL HA H 5.254 0.020 1 1566 163 163 VAL HB H 1.806 0.020 1 1567 163 163 VAL HG1 H 0.693 0.020 1 1568 163 163 VAL HG2 H 0.507 0.020 1 1569 163 163 VAL C C 176.101 0.3 1 1570 163 163 VAL CA C 58.455 0.3 1 1571 163 163 VAL CB C 35.931 0.3 1 1572 163 163 VAL CG1 C 18.461 0.3 1 1573 163 163 VAL CG2 C 22.011 0.3 1 1574 163 163 VAL N N 109.583 0.3 1 1575 164 164 HIS H H 10.177 0.020 1 1576 164 164 HIS HA H 4.522 0.020 1 1577 164 164 HIS HB2 H 3.431 0.020 2 1578 164 164 HIS HB3 H 3.329 0.020 2 1579 164 164 HIS HD2 H 6.478 0.020 1 1580 164 164 HIS C C 176.477 0.3 1 1581 164 164 HIS CA C 60.607 0.3 1 1582 164 164 HIS CB C 32.024 0.3 1 1583 164 164 HIS N N 121.799 0.3 1 1584 165 165 ALA H H 9.055 0.020 1 1585 165 165 ALA HA H 4.828 0.020 1 1586 165 165 ALA HB H 1.268 0.020 1 1587 165 165 ALA C C 175.609 0.3 1 1588 165 165 ALA CA C 53.117 0.3 1 1589 165 165 ALA CB C 21.870 0.3 1 1590 165 165 ALA N N 131.172 0.3 1 1591 166 166 ALA H H 7.285 0.020 1 1592 166 166 ALA HA H 4.312 0.020 1 1593 166 166 ALA HB H 1.221 0.020 1 1594 166 166 ALA C C 173.574 0.3 1 1595 166 166 ALA CA C 52.239 0.3 1 1596 166 166 ALA CB C 22.351 0.3 1 1597 166 166 ALA N N 116.048 0.3 1 1598 167 167 ALA H H 8.043 0.020 1 1599 167 167 ALA HA H 5.021 0.020 1 1600 167 167 ALA HB H 1.473 0.020 1 1601 167 167 ALA C C 176.619 0.3 1 1602 167 167 ALA CA C 51.296 0.3 1 1603 167 167 ALA CB C 23.163 0.3 1 1604 167 167 ALA N N 119.413 0.3 1 1605 168 168 THR H H 8.318 0.020 1 1606 168 168 THR HA H 4.759 0.020 1 1607 168 168 THR HB H 4.516 0.020 1 1608 168 168 THR HG2 H 1.165 0.020 1 1609 168 168 THR C C 175.511 0.3 1 1610 168 168 THR CA C 60.952 0.3 1 1611 168 168 THR CB C 70.115 0.3 1 1612 168 168 THR CG2 C 22.110 0.3 1 1613 168 168 THR N N 111.814 0.3 1 1614 169 169 LYS H H 8.866 0.020 1 1615 169 169 LYS HA H 4.094 0.020 1 1616 169 169 LYS HB2 H 1.898 0.020 1 1617 169 169 LYS HB3 H 1.898 0.020 1 1618 169 169 LYS HG2 H 1.524 0.020 2 1619 169 169 LYS HG3 H 1.479 0.020 2 1620 169 169 LYS HD2 H 1.717 0.020 1 1621 169 169 LYS HD3 H 1.717 0.020 1 1622 169 169 LYS HE2 H 3.022 0.020 1 1623 169 169 LYS HE3 H 3.022 0.020 1 1624 169 169 LYS C C 177.899 0.3 1 1625 169 169 LYS CA C 58.644 0.3 1 1626 169 169 LYS CB C 31.902 0.3 1 1627 169 169 LYS CG C 24.902 0.3 1 1628 169 169 LYS CD C 29.211 0.3 1 1629 169 169 LYS CE C 41.915 0.3 1 1630 169 169 LYS N N 123.207 0.3 1 1631 170 170 SER H H 8.373 0.020 1 1632 170 170 SER HA H 4.387 0.020 1 1633 170 170 SER HB2 H 3.932 0.020 1 1634 170 170 SER HB3 H 3.932 0.020 1 1635 170 170 SER C C 175.134 0.3 1 1636 170 170 SER CA C 58.724 0.3 1 1637 170 170 SER CB C 63.486 0.3 1 1638 170 170 SER N N 113.081 0.3 1 1639 171 171 GLY H H 8.166 0.020 1 1640 171 171 GLY HA2 H 4.188 0.020 1 1641 171 171 GLY HA3 H 4.188 0.020 1 1642 171 171 GLY C C 173.870 0.3 1 1643 171 171 GLY CA C 45.281 0.3 1 1644 171 171 GLY N N 110.259 0.3 1 1645 172 172 ASN H H 8.159 0.020 1 1646 172 172 ASN HA H 4.739 0.020 1 1647 172 172 ASN HB2 H 2.984 0.020 2 1648 172 172 ASN HB3 H 2.951 0.020 2 1649 172 172 ASN HD21 H 7.563 0.020 1 1650 172 172 ASN HD22 H 6.937 0.020 1 1651 172 172 ASN C C 174.329 0.3 1 1652 172 172 ASN CA C 53.937 0.3 1 1653 172 172 ASN CB C 38.534 0.3 1 1654 172 172 ASN N N 115.855 0.3 1 1655 172 172 ASN ND2 N 112.377 0.3 1 1656 173 173 THR H H 7.320 0.020 1 1657 173 173 THR HA H 5.232 0.020 1 1658 173 173 THR HB H 4.202 0.020 1 1659 173 173 THR HG2 H 1.209 0.020 1 1660 173 173 THR C C 173.944 0.3 1 1661 173 173 THR CA C 62.087 0.3 1 1662 173 173 THR CB C 70.405 0.3 1 1663 173 173 THR CG2 C 21.920 0.3 1 1664 173 173 THR N N 113.985 0.3 1 1665 174 174 VAL H H 8.803 0.020 1 1666 174 174 VAL HA H 5.052 0.020 1 1667 174 174 VAL HB H 2.558 0.020 1 1668 174 174 VAL HG1 H 0.779 0.020 1 1669 174 174 VAL HG2 H 0.795 0.020 1 1670 174 174 VAL C C 173.821 0.3 1 1671 174 174 VAL CA C 58.934 0.3 1 1672 174 174 VAL CB C 34.898 0.3 1 1673 174 174 VAL CG1 C 22.981 0.3 1 1674 174 174 VAL CG2 C 19.789 0.3 1 1675 174 174 VAL N N 118.224 0.3 1 1676 175 175 VAL H H 8.275 0.020 1 1677 175 175 VAL HA H 4.082 0.020 1 1678 175 175 VAL HB H 1.892 0.020 1 1679 175 175 VAL HG1 H 0.887 0.020 1 1680 175 175 VAL HG2 H 0.679 0.020 1 1681 175 175 VAL C C 174.121 0.3 1 1682 175 175 VAL CA C 61.056 0.3 1 1683 175 175 VAL CB C 35.921 0.3 1 1684 175 175 VAL CG1 C 21.502 0.3 1 1685 175 175 VAL CG2 C 16.881 0.3 1 1686 175 175 VAL N N 117.614 0.3 1 1687 176 176 CYS H H 7.968 0.020 1 1688 176 176 CYS CA C 57.253 0.3 1 1689 176 176 CYS CB C 30.783 0.3 1 1690 176 176 CYS N N 129.083 0.3 1 1691 178 178 VAL C C 176.841 0.3 1 1692 179 179 GLN H H 8.184 0.020 1 1693 179 179 GLN HA H 4.763 0.020 1 1694 179 179 GLN HE21 H 6.801 0.020 1 1695 179 179 GLN HE22 H 7.096 0.020 1 1696 179 179 GLN C C 173.269 0.3 1 1697 179 179 GLN CA C 55.423 0.3 1 1698 179 179 GLN CB C 29.292 0.3 1 1699 179 179 GLN CG C 37.056 0.3 1 1700 179 179 GLN N N 122.494 0.3 1 1701 179 179 GLN NE2 N 109.197 0.3 1 1702 180 180 ALA H H 7.744 0.020 1 1703 180 180 ALA HA H 4.156 0.020 1 1704 180 180 ALA HB H 1.135 0.020 1 1705 180 180 ALA C C 177.545 0.3 1 1706 180 180 ALA CA C 51.526 0.3 1 1707 180 180 ALA CB C 19.958 0.3 1 1708 180 180 ALA N N 124.822 0.3 1 1709 181 181 GLY H H 8.254 0.020 1 1710 181 181 GLY HA2 H 3.898 0.020 2 1711 181 181 GLY HA3 H 3.808 0.020 2 1712 181 181 GLY C C 173.952 0.3 1 1713 181 181 GLY CA C 45.013 0.3 1 1714 181 181 GLY N N 108.738 0.3 1 1715 182 182 GLU H H 8.446 0.020 1 1716 182 182 GLU HA H 4.211 0.020 1 1717 182 182 GLU HB2 H 1.992 0.020 2 1718 182 182 GLU HB3 H 1.839 0.020 2 1719 182 182 GLU HG2 H 2.165 0.020 1 1720 182 182 GLU HG3 H 2.165 0.020 1 1721 182 182 GLU C C 176.943 0.3 1 1722 182 182 GLU CA C 56.425 0.3 1 1723 182 182 GLU CB C 30.367 0.3 1 1724 182 182 GLU CG C 36.008 0.3 1 1725 182 182 GLU N N 120.508 0.3 1 1726 183 183 GLY H H 8.474 0.020 1 1727 183 183 GLY HA2 H 3.903 0.020 1 1728 183 183 GLY HA3 H 3.903 0.020 1 1729 183 183 GLY C C 174.007 0.3 1 1730 183 183 GLY CA C 45.109 0.3 1 1731 183 183 GLY N N 109.951 0.3 1 1732 184 184 GLU H H 8.302 0.020 1 1733 184 184 GLU HA H 4.323 0.020 1 1734 184 184 GLU HB2 H 2.020 0.020 2 1735 184 184 GLU HB3 H 1.891 0.020 2 1736 184 184 GLU HG2 H 2.198 0.020 1 1737 184 184 GLU HG3 H 2.198 0.020 1 1738 184 184 GLU C C 176.669 0.3 1 1739 184 184 GLU CA C 56.402 0.3 1 1740 184 184 GLU CB C 30.334 0.3 1 1741 184 184 GLU CG C 35.919 0.3 1 1742 184 184 GLU N N 120.598 0.3 1 1743 185 185 THR H H 8.218 0.020 1 1744 185 185 THR HA H 4.281 0.020 1 1745 185 185 THR HB H 4.129 0.020 1 1746 185 185 THR HG2 H 1.152 0.020 1 1747 185 185 THR C C 173.952 0.3 1 1748 185 185 THR CA C 61.832 0.3 1 1749 185 185 THR CB C 69.800 0.3 1 1750 185 185 THR CG2 C 21.401 0.3 1 1751 185 185 THR N N 115.733 0.3 1 1752 186 186 ALA H H 8.342 0.020 1 1753 186 186 ALA HA H 4.315 0.020 1 1754 186 186 ALA HB H 1.359 0.020 1 1755 186 186 ALA C C 177.236 0.3 1 1756 186 186 ALA CA C 51.988 0.3 1 1757 186 186 ALA CB C 19.306 0.3 1 1758 186 186 ALA N N 126.909 0.3 1 1759 187 187 LEU H H 8.261 0.020 1 1760 187 187 LEU HA H 4.303 0.020 1 1761 187 187 LEU HB2 H 1.598 0.020 2 1762 187 187 LEU HB3 H 1.578 0.020 2 1763 187 187 LEU HG H 1.604 0.020 1 1764 187 187 LEU HD1 H 0.870 0.020 1 1765 187 187 LEU HD2 H 0.810 0.020 1 1766 187 187 LEU C C 176.319 0.3 1 1767 187 187 LEU CA C 55.063 0.3 1 1768 187 187 LEU CB C 42.363 0.3 1 1769 187 187 LEU CG C 26.820 0.3 1 1770 187 187 LEU CD1 C 25.174 0.3 1 1771 187 187 LEU CD2 C 23.231 0.3 1 1772 187 187 LEU N N 122.202 0.3 1 1773 188 188 GLU H H 7.830 0.020 1 1774 188 188 GLU HA H 4.093 0.020 1 1775 188 188 GLU HB2 H 2.014 0.020 2 1776 188 188 GLU HB3 H 1.859 0.020 2 1777 188 188 GLU HG2 H 2.155 0.020 1 1778 188 188 GLU HG3 H 2.155 0.020 1 1779 188 188 GLU C C 180.807 0.3 1 1780 188 188 GLU CA C 57.736 0.3 1 1781 188 188 GLU CB C 31.298 0.3 1 1782 188 188 GLU CG C 36.421 0.3 1 1783 188 188 GLU N N 125.814 0.3 1 stop_ save_