data_15782 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C and 15N chemical shifts of the sylvatic Dengue 1 Envelope Protein Domain III, strain P72-1244 ; _BMRB_accession_number 15782 _BMRB_flat_file_name bmr15782.str _Entry_type original _Submission_date 2008-05-27 _Accession_date 2008-05-27 _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 Volk David E. . 2 Anderson Kurtis . . 3 Gandham Sai H.A. . 4 May Fiona J. . 5 Beasley David W.C. . 6 Barrett Alan D.T. . 7 Gorenstein David G. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 624 "13C chemical shifts" 442 "15N chemical shifts" 102 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2009-08-14 update BMRB 'added PubMed ID' 2008-12-03 update BMRB 'complete entry citation' 2008-09-12 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'NMR assignments of the sylvatic dengue 1 virus envelope protein domain III' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 19636893 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Volk David E. . 2 Anderson Kurtis M. . 3 Gandham Sai H.A. . 4 May Fiona J. . 5 Li Li . . 6 Beasley David W.C. . 7 Barrett Alan D.T. . 8 Gorenstein David G. . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_name_full 'Biomolecular NMR Assignments' _Journal_volume 2 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 155 _Page_last 157 _Year 2008 _Details . loop_ _Keyword 'envelope protein domain III' 'strain P72-1244' 'sylvatic dengue 1 virus' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name DEN1ED3 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label subunit1 $DEN1ED3 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_DEN1ED3 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common DEN1ED3 _Molecular_mass . _Mol_thiol_state 'all disulfide bound' loop_ _Biological_function 'virus envelope protein' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 112 _Mol_residue_sequence ; MDKLTLKGMSYVMCTGSFKL EKEVAETQHGTVLVQVKYEG TDAPCKIPFSTQDEKGITQN GRLITANPIVTDKEKPVSIE AKPPFGESYIVVGAGEKALK LSWFKKGSSIGK ; loop_ _Residue_seq_code _Residue_label 1 MET 2 ASP 3 LYS 4 LEU 5 THR 6 LEU 7 LYS 8 GLY 9 MET 10 SER 11 TYR 12 VAL 13 MET 14 CYS 15 THR 16 GLY 17 SER 18 PHE 19 LYS 20 LEU 21 GLU 22 LYS 23 GLU 24 VAL 25 ALA 26 GLU 27 THR 28 GLN 29 HIS 30 GLY 31 THR 32 VAL 33 LEU 34 VAL 35 GLN 36 VAL 37 LYS 38 TYR 39 GLU 40 GLY 41 THR 42 ASP 43 ALA 44 PRO 45 CYS 46 LYS 47 ILE 48 PRO 49 PHE 50 SER 51 THR 52 GLN 53 ASP 54 GLU 55 LYS 56 GLY 57 ILE 58 THR 59 GLN 60 ASN 61 GLY 62 ARG 63 LEU 64 ILE 65 THR 66 ALA 67 ASN 68 PRO 69 ILE 70 VAL 71 THR 72 ASP 73 LYS 74 GLU 75 LYS 76 PRO 77 VAL 78 SER 79 ILE 80 GLU 81 ALA 82 LYS 83 PRO 84 PRO 85 PHE 86 GLY 87 GLU 88 SER 89 TYR 90 ILE 91 VAL 92 VAL 93 GLY 94 ALA 95 GLY 96 GLU 97 LYS 98 ALA 99 LEU 100 LYS 101 LEU 102 SER 103 TRP 104 PHE 105 LYS 106 LYS 107 GLY 108 SER 109 SER 110 ILE 111 GLY 112 LYS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-06-13 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 DBJ BAJ72472 "polyprotein, partial [Dengue virus 1]" 100.00 930 97.32 100.00 7.76e-67 EMBL CBL95104 "polyprotein, partial [Dengue virus 1]" 100.00 495 98.21 100.00 1.18e-69 GB AAF59976 "polyprotein precursor [Dengue virus 1]" 100.00 3392 97.32 99.11 5.28e-65 GB AAF59977 "polyprotein precursor [Dengue virus 1]" 100.00 3392 97.32 99.11 5.08e-65 GB AAF61125 "envelope protein, partial [Dengue virus 1]" 100.00 494 98.21 100.00 1.23e-69 GB AAN32773 "envelope protein, partial [Dengue virus 1]" 100.00 495 97.32 100.00 2.75e-69 GB AAN32776 "envelope protein, partial [Dengue virus 1]" 100.00 495 98.21 100.00 1.10e-69 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 $DEN1ED3 'Dengue virus' 12637 Viruses . Flavivirus 'Dengue virus' P72-1244 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 $DEN1ED3 'recombinant technology' . Escherichia coli . pET-15 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 $DEN1ED3 0.25 mM '[U-99% 13C; U-99% 15N]' 'sodium chloride' 25 mM 'natural abundance' TRIS 25 mM [U-2H] stop_ save_ ############################ # Computer software used # ############################ save_Felix _Saveframe_category software _Name FELIX _Version 2000 loop_ _Vendor _Address _Electronic_address 'Accelrys Software Inc.' . . stop_ loop_ _Task 'chemical shift assignment' processing stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 800 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _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_1 save_ save_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HNCO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCACO_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACO' _Sample_label $sample_1 save_ save_3D_C(CO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_1 save_ save_3D_H(CCO)NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.05 . M pH 6.5 . pH pressure 1 . atm temperature 298 . 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_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '3D CBCA(CO)NH' '3D HNCACB' '3D HNCO' '3D HNCACO' '3D C(CO)NH' '3D H(CCO)NH' '3D HCCH-TOCSY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name subunit1 _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 1 MET HA H 3.87 0.01 1 2 1 1 MET HB2 H 2.20 0.01 2 3 1 1 MET HB3 H 2.12 0.01 2 4 1 1 MET HG2 H 2.65 0.01 1 5 1 1 MET HG3 H 2.65 0.01 1 6 1 1 MET CA C 56.8 0.2 1 7 1 1 MET CB C 32.4 0.2 1 8 1 1 MET CG C 31.5 0.2 1 9 2 2 ASP HA H 4.57 0.01 1 10 2 2 ASP HB2 H 2.69 0.01 1 11 2 2 ASP HB3 H 2.69 0.01 1 12 2 2 ASP C C 174.8 0.2 1 13 2 2 ASP CA C 54.3 0.2 1 14 2 2 ASP CB C 41.7 0.2 1 15 3 3 LYS H H 8.47 0.01 1 16 3 3 LYS HA H 4.27 0.01 1 17 3 3 LYS HB2 H 1.86 0.01 2 18 3 3 LYS HB3 H 1.74 0.01 2 19 3 3 LYS HG2 H 1.43 0.01 1 20 3 3 LYS HG3 H 1.43 0.01 1 21 3 3 LYS C C 174.1 0.2 1 22 3 3 LYS CA C 56.9 0.2 1 23 3 3 LYS CB C 33.0 0.2 1 24 3 3 LYS CD C 29.3 0.2 1 25 3 3 LYS CE C 42.4 0.2 1 26 3 3 LYS CG C 25.1 0.2 1 27 3 3 LYS N N 122.5 0.2 1 28 4 4 LEU H H 8.33 0.01 1 29 4 4 LEU HA H 4.39 0.01 1 30 4 4 LEU HB2 H 1.62 0.01 1 31 4 4 LEU HB3 H 1.62 0.01 1 32 4 4 LEU HD1 H 0.92 0.01 2 33 4 4 LEU HD2 H 0.88 0.01 2 34 4 4 LEU HG H 1.48 0.01 1 35 4 4 LEU C C 173.0 0.2 1 36 4 4 LEU CA C 55.7 0.2 1 37 4 4 LEU CB C 42.3 0.2 1 38 4 4 LEU CD1 C 25.1 0.2 2 39 4 4 LEU CD2 C 23.8 0.2 2 40 4 4 LEU CG C 27.5 0.2 1 41 4 4 LEU N N 123.3 0.1 1 42 5 5 THR H H 8.10 0.01 1 43 5 5 THR HA H 4.31 0.01 1 44 5 5 THR HB H 4.20 0.01 1 45 5 5 THR HG2 H 1.19 0.01 1 46 5 5 THR C C 176.1 0.2 1 47 5 5 THR CA C 62.3 0.2 1 48 5 5 THR CB C 69.6 0.2 1 49 5 5 THR CG2 C 21.9 0.2 1 50 5 5 THR N N 116.2 0.1 1 51 6 6 LEU H H 8.14 0.01 1 52 6 6 LEU HA H 4.34 0.01 1 53 6 6 LEU HB2 H 1.65 0.01 1 54 6 6 LEU HB3 H 1.65 0.01 1 55 6 6 LEU HD1 H 0.93 0.01 2 56 6 6 LEU HD2 H 0.88 0.01 2 57 6 6 LEU HG H 1.50 0.01 1 58 6 6 LEU C C 173.3 0.2 1 59 6 6 LEU CA C 55.5 0.2 1 60 6 6 LEU CB C 42.4 0.2 1 61 6 6 LEU CD1 C 25.2 0.2 2 62 6 6 LEU CD2 C 23.6 0.2 2 63 6 6 LEU CG C 27.4 0.2 1 64 6 6 LEU N N 125.0 0.1 1 65 7 7 LYS H H 8.23 0.01 1 66 7 7 LYS HA H 4.24 0.01 1 67 7 7 LYS HB2 H 1.83 0.01 2 68 7 7 LYS HB3 H 1.78 0.01 2 69 7 7 LYS HD2 H 1.71 0.01 1 70 7 7 LYS HD3 H 1.71 0.01 1 71 7 7 LYS HG2 H 1.44 0.01 1 72 7 7 LYS HG3 H 1.44 0.01 1 73 7 7 LYS C C 173.6 0.2 1 74 7 7 LYS CA C 56.8 0.2 1 75 7 7 LYS CB C 33.0 0.2 1 76 7 7 LYS CD C 29.2 0.2 1 77 7 7 LYS CG C 24.9 0.2 1 78 7 7 LYS N N 122.6 0.1 1 79 8 8 GLY H H 8.29 0.01 1 80 8 8 GLY HA2 H 3.87 0.02 2 81 8 8 GLY HA3 H 3.84 0.02 2 82 8 8 GLY C C 176.7 0.2 1 83 8 8 GLY CA C 45.5 0.2 1 84 8 8 GLY N N 110.2 0.1 1 85 9 9 MET H H 7.96 0.01 1 86 9 9 MET HA H 4.41 0.01 1 87 9 9 MET HB2 H 1.90 0.01 1 88 9 9 MET HB3 H 1.90 0.01 1 89 9 9 MET HG2 H 2.45 0.01 1 90 9 9 MET HG3 H 2.45 0.01 1 91 9 9 MET C C 174.9 0.2 1 92 9 9 MET CA C 55.5 0.2 1 93 9 9 MET CB C 33.1 0.2 1 94 9 9 MET CG C 32.2 0.2 1 95 9 9 MET N N 120.0 0.01 1 96 10 10 SER H H 8.07 0.01 1 97 10 10 SER HA H 4.46 0.01 1 98 10 10 SER HB2 H 3.74 0.01 2 99 10 10 SER HB3 H 3.71 0.01 2 100 10 10 SER C C 177.1 0.2 1 101 10 10 SER CA C 57.6 0.2 1 102 10 10 SER CB C 63.7 0.2 1 103 10 10 SER N N 117.3 0.1 1 104 11 11 TYR H H 7.84 0.01 1 105 11 11 TYR HA H 4.80 0.01 1 106 11 11 TYR HB2 H 3.09 0.01 2 107 11 11 TYR HB3 H 2.64 0.01 2 108 11 11 TYR HD1 H 7.02 0.01 1 109 11 11 TYR HD2 H 7.02 0.01 1 110 11 11 TYR HE1 H 6.78 0.01 1 111 11 11 TYR HE2 H 6.78 0.01 1 112 11 11 TYR C C 174.7 0.2 1 113 11 11 TYR CA C 56.9 0.2 1 114 11 11 TYR CB C 40.7 0.2 1 115 11 11 TYR N N 121.9 0.1 1 116 12 12 VAL H H 8.60 0.01 1 117 12 12 VAL HA H 4.44 0.01 1 118 12 12 VAL HB H 2.37 0.01 1 119 12 12 VAL HG1 H 1.09 0.01 2 120 12 12 VAL HG2 H 1.00 0.01 2 121 12 12 VAL C C 174.7 0.2 1 122 12 12 VAL CA C 60.5 0.2 1 123 12 12 VAL CB C 33.2 0.2 1 124 12 12 VAL CG1 C 21.6 0.2 2 125 12 12 VAL CG2 C 19.2 0.2 2 126 12 12 VAL N N 117.9 0.2 1 127 13 13 MET H H 8.35 0.01 1 128 13 13 MET HA H 4.89 0.01 1 129 13 13 MET HB2 H 2.11 0.01 2 130 13 13 MET HB3 H 1.95 0.01 2 131 13 13 MET HG2 H 2.81 0.01 2 132 13 13 MET HG3 H 2.71 0.01 2 133 13 13 MET C C 173.1 0.1 1 134 13 13 MET CA C 54.8 0.01 1 135 13 13 MET CB C 31.8 0.01 1 136 13 13 MET CG C 32.1 0.01 1 137 13 13 MET N N 120.8 0.1 1 138 14 14 CYS H H 9.62 0.01 1 139 14 14 CYS HA H 4.71 0.01 1 140 14 14 CYS HB2 H 3.72 0.01 2 141 14 14 CYS HB3 H 2.43 0.01 2 142 14 14 CYS C C 172.9 0.2 1 143 14 14 CYS CA C 55.2 0.2 1 144 14 14 CYS CB C 39.3 0.2 1 145 14 14 CYS N N 123.4 0.1 1 146 15 15 THR H H 9.41 0.01 1 147 15 15 THR HA H 4.56 0.01 1 148 15 15 THR HB H 4.45 0.01 1 149 15 15 THR HG2 H 1.40 0.01 1 150 15 15 THR C C 174.2 0.2 1 151 15 15 THR CA C 62.7 0.2 1 152 15 15 THR CB C 71.0 0.2 1 153 15 15 THR CG2 C 22.1 0.2 1 154 15 15 THR N N 117.6 0.1 1 155 16 16 GLY H H 9.52 0.01 1 156 16 16 GLY HA2 H 4.44 0.01 2 157 16 16 GLY HA3 H 3.48 0.01 2 158 16 16 GLY C C 178.0 0.2 1 159 16 16 GLY CA C 44.4 0.2 1 160 16 16 GLY N N 114.1 0.1 1 161 17 17 SER H H 8.02 0.01 1 162 17 17 SER HA H 4.83 0.01 1 163 17 17 SER HB2 H 3.99 0.01 2 164 17 17 SER HB3 H 3.75 0.01 2 165 17 17 SER C C 179.0 0.2 1 166 17 17 SER CA C 57.4 0.2 1 167 17 17 SER CB C 65.9 0.2 1 168 17 17 SER N N 114.0 0.1 1 169 18 18 PHE H H 9.09 0.01 1 170 18 18 PHE HA H 5.30 0.01 1 171 18 18 PHE HB2 H 2.83 0.01 2 172 18 18 PHE HB3 H 2.73 0.01 2 173 18 18 PHE HD1 H 7.22 0.01 1 174 18 18 PHE HD2 H 7.22 0.01 1 175 18 18 PHE HE1 H 7.14 0.01 1 176 18 18 PHE HE2 H 7.14 0.01 1 177 18 18 PHE HZ H 6.78 0.01 1 178 18 18 PHE C C 176.5 0.2 1 179 18 18 PHE CA C 56.9 0.2 1 180 18 18 PHE CB C 43.3 0.2 1 181 18 18 PHE N N 118.3 0.1 1 182 19 19 LYS H H 9.05 0.01 1 183 19 19 LYS HA H 4.80 0.01 1 184 19 19 LYS HB2 H 1.77 0.01 1 185 19 19 LYS HB3 H 1.77 0.01 1 186 19 19 LYS HD2 H 1.68 0.01 1 187 19 19 LYS HG2 H 1.38 0.01 1 188 19 19 LYS HG3 H 1.38 0.01 1 189 19 19 LYS C C 175.0 0.2 1 190 19 19 LYS CA C 54.1 0.2 1 191 19 19 LYS CB C 36.2 0.2 1 192 19 19 LYS CD C 29.5 0.2 1 193 19 19 LYS CE C 42.2 0.2 1 194 19 19 LYS CG C 24.6 0.2 1 195 19 19 LYS N N 119.3 0.2 1 196 20 20 LEU H H 8.95 0.01 1 197 20 20 LEU HA H 4.53 0.01 1 198 20 20 LEU HB2 H 1.89 0.01 2 199 20 20 LEU HB3 H 1.51 0.01 2 200 20 20 LEU HD1 H 1.09 0.01 2 201 20 20 LEU HD2 H 0.98 0.01 2 202 20 20 LEU HG H 1.06 0.01 1 203 20 20 LEU C C 173.2 0.2 1 204 20 20 LEU CA C 55.7 0.2 1 205 20 20 LEU CB C 42.9 0.2 1 206 20 20 LEU CG C 25.0 0.2 1 207 20 20 LEU N N 124.9 0.1 1 208 21 21 GLU H H 9.03 0.01 1 209 21 21 GLU HA H 4.47 0.01 1 210 21 21 GLU HB2 H 1.77 0.01 1 211 21 21 GLU HB3 H 1.77 0.01 1 212 21 21 GLU HG2 H 2.12 0.01 1 213 21 21 GLU HG3 H 2.12 0.01 1 214 21 21 GLU C C 175.2 0.2 1 215 21 21 GLU CA C 57.2 0.2 1 216 21 21 GLU CB C 31.8 0.2 1 217 21 21 GLU CG C 36.0 0.2 1 218 21 21 GLU N N 128.0 0.1 1 219 22 22 LYS H H 7.45 0.01 1 220 22 22 LYS HA H 4.55 0.01 1 221 22 22 LYS HB2 H 1.97 0.01 2 222 22 22 LYS HB3 H 1.72 0.01 2 223 22 22 LYS HD2 H 1.68 0.01 1 224 22 22 LYS HD3 H 1.68 0.01 1 225 22 22 LYS HE2 H 2.97 0.01 1 226 22 22 LYS HE3 H 2.97 0.01 1 227 22 22 LYS HG2 H 1.40 0.01 1 228 22 22 LYS HG3 H 1.40 0.01 1 229 22 22 LYS C C 176.0 0.2 1 230 22 22 LYS CA C 54.4 0.2 1 231 22 22 LYS CB C 35.7 0.2 1 232 22 22 LYS CD C 29.2 0.2 1 233 22 22 LYS CE C 42.0 0.2 1 234 22 22 LYS CG C 24.0 0.2 1 235 22 22 LYS N N 115.2 0.1 1 236 23 23 GLU H H 8.56 0.01 1 237 23 23 GLU HA H 4.30 0.01 1 238 23 23 GLU HB2 H 2.17 0.01 2 239 23 23 GLU HB3 H 2.03 0.01 2 240 23 23 GLU HG2 H 2.45 0.01 1 241 23 23 GLU HG3 H 2.45 0.01 1 242 23 23 GLU C C 173.7 0.2 1 243 23 23 GLU CA C 57.1 0.2 1 244 23 23 GLU CB C 30.1 0.2 1 245 23 23 GLU CG C 36.5 0.2 1 246 23 23 GLU N N 120.7 0.2 1 247 24 24 VAL H H 8.81 0.01 1 248 24 24 VAL HA H 3.97 0.01 1 249 24 24 VAL HB H 2.11 0.01 1 250 24 24 VAL HG1 H 1.18 0.01 2 251 24 24 VAL HG2 H 0.54 0.01 2 252 24 24 VAL C C 175.9 0.2 1 253 24 24 VAL CA C 64.5 0.2 1 254 24 24 VAL CB C 32.0 0.2 1 255 24 24 VAL CG1 C 23.5 0.2 2 256 24 24 VAL CG2 C 22.4 0.2 2 257 24 24 VAL N N 125.6 0.2 1 258 25 25 ALA H H 7.72 0.01 1 259 25 25 ALA HA H 4.95 0.01 1 260 25 25 ALA HB H 1.44 0.01 1 261 25 25 ALA C C 175.3 0.2 1 262 25 25 ALA CA C 50.8 0.2 1 263 25 25 ALA CB C 23.2 0.2 1 264 25 25 ALA N N 128.5 0.1 1 265 26 26 GLU H H 8.79 0.01 1 266 26 26 GLU HA H 5.00 0.01 1 267 26 26 GLU HB2 H 2.23 0.01 2 268 26 26 GLU HB3 H 2.15 0.01 2 269 26 26 GLU HG2 H 2.58 0.01 2 270 26 26 GLU HG3 H 2.43 0.01 2 271 26 26 GLU C C 173.1 0.2 1 272 26 26 GLU CA C 55.6 0.2 1 273 26 26 GLU CB C 32.1 0.2 1 274 26 26 GLU CG C 37.4 0.2 1 275 26 26 GLU N N 121.4 0.1 1 276 27 27 THR H H 8.65 0.01 1 277 27 27 THR HA H 4.53 0.01 1 278 27 27 THR HB H 4.33 0.01 1 279 27 27 THR HG2 H 1.01 0.01 1 280 27 27 THR C C 174.6 0.2 1 281 27 27 THR CA C 60.4 0.2 1 282 27 27 THR CB C 71.6 0.2 1 283 27 27 THR N N 115.8 0.1 1 284 28 28 GLN HA H 4.29 0.01 1 285 28 28 GLN HB2 H 2.18 0.01 2 286 28 28 GLN HB3 H 2.02 0.01 2 287 28 28 GLN HG2 H 2.31 0.01 1 288 28 28 GLN HG3 H 2.31 0.01 1 289 28 28 GLN C C 174.8 0.2 1 290 28 28 GLN CA C 57.0 0.2 1 291 28 28 GLN CB C 28.5 0.2 1 292 29 29 HIS H H 7.60 0.01 1 293 29 29 HIS HA H 4.94 0.01 1 294 29 29 HIS HB2 H 3.19 0.02 2 295 29 29 HIS HB3 H 3.09 0.02 2 296 29 29 HIS HD2 H 6.84 0.02 1 297 29 29 HIS C C 174.9 0.2 1 298 29 29 HIS CA C 55.2 0.2 1 299 29 29 HIS CB C 30.1 0.2 1 300 29 29 HIS N N 115.2 0.1 1 301 30 30 GLY H H 7.60 0.01 1 302 30 30 GLY HA2 H 4.09 0.01 2 303 30 30 GLY HA3 H 3.91 0.01 2 304 30 30 GLY C C 176.0 0.2 1 305 30 30 GLY CA C 46.7 0.2 1 306 30 30 GLY N N 108.7 0.1 1 307 31 31 THR H H 7.00 0.01 1 308 31 31 THR HA H 4.77 0.01 1 309 31 31 THR HB H 4.37 0.01 1 310 31 31 THR HG2 H 1.01 0.01 1 311 31 31 THR C C 177.7 0.2 1 312 31 31 THR CA C 59.0 0.2 1 313 31 31 THR CB C 70.9 0.2 1 314 31 31 THR CG2 C 23.1 0.2 1 315 31 31 THR N N 109.4 0.1 1 316 32 32 VAL H H 8.96 0.01 1 317 32 32 VAL HA H 4.91 0.01 1 318 32 32 VAL HB H 1.35 0.01 1 319 32 32 VAL HG1 H 0.01 0.01 2 320 32 32 VAL HG2 H 0.18 0.01 2 321 32 32 VAL C C 177.1 0.2 1 322 32 32 VAL CA C 59.7 0.2 1 323 32 32 VAL CB C 34.2 0.2 1 324 32 32 VAL CG1 C 21.2 0.2 2 325 32 32 VAL CG2 C 19.2 0.2 2 326 32 32 VAL N N 114.6 0.1 1 327 33 33 LEU H H 8.69 0.01 1 328 33 33 LEU HA H 5.06 0.01 1 329 33 33 LEU HB2 H 1.51 0.01 2 330 33 33 LEU HB3 H 1.32 0.01 2 331 33 33 LEU HD1 H 0.77 0.01 2 332 33 33 LEU HD2 H 0.74 0.01 2 333 33 33 LEU HG H 1.34 0.01 1 334 33 33 LEU C C 174.8 0.2 1 335 33 33 LEU CA C 53.6 0.2 1 336 33 33 LEU CB C 44.9 0.2 1 337 33 33 LEU CD1 C 24.6 0.2 1 338 33 33 LEU CD2 C 24.6 0.2 1 339 33 33 LEU CG C 27.6 0.2 1 340 33 33 LEU N N 124.5 0.1 1 341 34 34 VAL H H 9.27 0.01 1 342 34 34 VAL HA H 4.40 0.01 1 343 34 34 VAL HB H 2.00 0.01 1 344 34 34 VAL HG1 H 0.81 0.01 2 345 34 34 VAL HG2 H 0.79 0.01 2 346 34 34 VAL C C 177.2 0.2 1 347 34 34 VAL CA C 60.4 0.2 1 348 34 34 VAL CB C 34.2 0.2 1 349 34 34 VAL CG1 C 21.1 0.2 1 350 34 34 VAL CG2 C 21.1 0.2 1 351 34 34 VAL N N 128.4 0.1 1 352 35 35 GLN H H 9.48 0.01 1 353 35 35 GLN HA H 5.51 0.01 1 354 35 35 GLN HB2 H 2.00 0.01 2 355 35 35 GLN HB3 H 1.82 0.01 2 356 35 35 GLN HG2 H 2.16 0.01 2 357 35 35 GLN HG3 H 2.05 0.01 2 358 35 35 GLN C C 175.2 0.2 1 359 35 35 GLN CA C 54.7 0.2 1 360 35 35 GLN CB C 31.1 0.2 1 361 35 35 GLN CG C 34.7 0.2 1 362 35 35 GLN N N 128.8 0.1 1 363 36 36 VAL H H 8.94 0.01 1 364 36 36 VAL HA H 5.51 0.01 1 365 36 36 VAL HB H 2.33 0.01 1 366 36 36 VAL HG1 H 0.86 0.01 2 367 36 36 VAL HG2 H 0.81 0.01 2 368 36 36 VAL C C 177.2 0.2 1 369 36 36 VAL CA C 58.3 0.2 1 370 36 36 VAL CB C 36.5 0.2 1 371 36 36 VAL CG1 C 22.5 0.2 1 372 36 36 VAL CG2 C 22.5 0.2 1 373 36 36 VAL N N 117.0 0.1 1 374 37 37 LYS H H 9.31 0.01 1 375 37 37 LYS HA H 4.90 0.01 1 376 37 37 LYS HB2 H 1.88 0.03 2 377 37 37 LYS HB3 H 1.71 0.03 2 378 37 37 LYS HD2 H 1.84 0.03 1 379 37 37 LYS HD3 H 1.84 0.03 1 380 37 37 LYS HG2 H 1.40 0.02 1 381 37 37 LYS HG3 H 1.40 0.02 1 382 37 37 LYS C C 175.7 0.2 1 383 37 37 LYS CA C 54.4 0.2 1 384 37 37 LYS CB C 36.1 0.2 1 385 37 37 LYS CD C 29.1 0.2 1 386 37 37 LYS CG C 25.5 0.2 1 387 37 37 LYS N N 122.3 0.1 1 388 38 38 TYR H H 9.58 0.01 1 389 38 38 TYR HA H 4.59 0.01 1 390 38 38 TYR HB2 H 2.76 0.01 1 391 38 38 TYR HB3 H 2.76 0.01 1 392 38 38 TYR HD1 H 6.56 0.01 3 393 38 38 TYR HD2 H 6.56 0.01 3 394 38 38 TYR HE1 H 5.83 0.01 3 395 38 38 TYR HE2 H 5.16 0.01 3 396 38 38 TYR C C 175.9 0.2 1 397 38 38 TYR CA C 56.2 0.2 1 398 38 38 TYR CB C 41.9 0.2 1 399 38 38 TYR N N 127.7 0.1 1 400 39 39 GLU H H 8.02 0.01 1 401 39 39 GLU HA H 4.28 0.01 1 402 39 39 GLU HB2 H 1.93 0.01 2 403 39 39 GLU HB3 H 1.61 0.01 2 404 39 39 GLU HG2 H 1.89 0.01 2 405 39 39 GLU HG3 H 1.83 0.01 2 406 39 39 GLU C C 175.7 0.2 1 407 39 39 GLU CA C 55.2 0.2 1 408 39 39 GLU CB C 30.8 0.2 1 409 39 39 GLU CG C 36.5 0.2 1 410 39 39 GLU N N 123.3 0.2 1 411 40 40 GLY HA2 H 4.17 0.02 2 412 40 40 GLY HA3 H 3.32 0.02 2 413 40 40 GLY C C 175.7 0.2 1 414 40 40 GLY CA C 45.1 0.2 1 415 41 41 THR H H 8.33 0.01 1 416 41 41 THR HA H 4.61 0.01 1 417 41 41 THR HB H 4.61 0.01 1 418 41 41 THR HG2 H 1.11 0.01 1 419 41 41 THR C C 175.7 0.01 1 420 41 41 THR CA C 61.8 0.2 1 421 41 41 THR CB C 69.5 0.2 1 422 41 41 THR CG2 C 21.7 0.2 1 423 41 41 THR N N 107.3 0.1 1 424 42 42 ASP H H 9.34 0.01 1 425 42 42 ASP HA H 4.66 0.01 1 426 42 42 ASP HB2 H 3.05 0.01 2 427 42 42 ASP HB3 H 2.51 0.01 2 428 42 42 ASP C C 175.6 0.2 1 429 42 42 ASP CA C 52.9 0.2 1 430 42 42 ASP CB C 39.6 0.2 1 431 42 42 ASP N N 122.1 0.1 1 432 43 43 ALA H H 8.21 0.01 1 433 43 43 ALA HA H 3.97 0.01 1 434 43 43 ALA HB H 1.21 0.01 1 435 43 43 ALA C C 174.8 0.2 1 436 43 43 ALA CA C 51.9 0.2 1 437 43 43 ALA CB C 17.1 0.2 1 438 43 43 ALA N N 122.7 0.1 1 439 44 44 PRO HA H 5.15 0.01 1 440 44 44 PRO HB2 H 2.26 0.01 2 441 44 44 PRO HB3 H 1.66 0.01 2 442 44 44 PRO HD2 H 3.67 0.01 2 443 44 44 PRO HD3 H 3.56 0.01 2 444 44 44 PRO HG2 H 2.04 0.01 2 445 44 44 PRO HG3 H 2.00 0.01 2 446 44 44 PRO C C 176.2 0.2 1 447 44 44 PRO CA C 61.6 0.2 1 448 44 44 PRO CB C 35.0 0.2 1 449 44 44 PRO CD C 50.6 0.2 1 450 44 44 PRO CG C 25.3 0.2 1 451 45 45 CYS H H 8.17 0.01 1 452 45 45 CYS HA H 5.12 0.01 1 453 45 45 CYS HB2 H 3.23 0.01 2 454 45 45 CYS HB3 H 3.08 0.01 2 455 45 45 CYS C C 179.2 0.2 1 456 45 45 CYS CA C 53.9 0.2 1 457 45 45 CYS CB C 45.0 0.2 1 458 45 45 CYS N N 116.1 0.1 1 459 46 46 LYS H H 9.22 0.01 1 460 46 46 LYS HA H 4.50 0.01 1 461 46 46 LYS HB2 H 1.63 0.01 1 462 46 46 LYS HB3 H 1.63 0.01 1 463 46 46 LYS HD2 H 1.93 0.01 1 464 46 46 LYS HD3 H 1.93 0.01 1 465 46 46 LYS HE2 H 2.94 0.01 1 466 46 46 LYS HE3 H 2.94 0.01 1 467 46 46 LYS HG2 H 1.32 0.01 1 468 46 46 LYS HG3 H 1.32 0.01 1 469 46 46 LYS C C 175.9 0.2 1 470 46 46 LYS CA C 56.2 0.2 1 471 46 46 LYS CB C 34.3 0.2 1 472 46 46 LYS CD C 29.6 0.2 1 473 46 46 LYS CE C 41.1 0.2 1 474 46 46 LYS CG C 25.6 0.2 1 475 46 46 LYS N N 121.5 0.2 1 476 47 47 ILE H H 8.26 0.01 1 477 47 47 ILE HA H 3.74 0.01 1 478 47 47 ILE HB H 1.55 0.01 1 479 47 47 ILE HD1 H 0.58 0.01 1 480 47 47 ILE HG12 H 0.94 0.01 2 481 47 47 ILE HG13 H 0.94 0.01 2 482 47 47 ILE HG2 H 0.30 0.01 1 483 47 47 ILE C C 177.4 0.2 1 484 47 47 ILE CA C 61.2 0.2 1 485 47 47 ILE CB C 39.9 0.2 1 486 47 47 ILE CD1 C 14.0 0.2 1 487 47 47 ILE CG1 C 28.5 0.2 1 488 47 47 ILE CG2 C 15.4 0.2 1 489 47 47 ILE N N 128.3 0.1 1 490 48 48 PRO HA H 4.50 0.01 1 491 48 48 PRO HB2 H 2.37 0.03 1 492 48 48 PRO HB3 H 2.37 0.03 1 493 48 48 PRO HG2 H 1.68 0.03 2 494 48 48 PRO HG3 H 2.14 0.03 2 495 48 48 PRO C C 175.8 0.1 1 496 48 48 PRO CA C 62.7 0.2 1 497 48 48 PRO CB C 30.9 0.2 1 498 48 48 PRO CG C 28.4 0.2 1 499 49 49 PHE H H 8.10 0.01 1 500 49 49 PHE HA H 5.32 0.01 1 501 49 49 PHE HB2 H 2.98 0.01 2 502 49 49 PHE HB3 H 2.64 0.01 2 503 49 49 PHE HD1 H 6.99 0.02 1 504 49 49 PHE HD2 H 6.99 0.02 1 505 49 49 PHE HE1 H 6.92 0.02 1 506 49 49 PHE HE2 H 6.92 0.02 1 507 49 49 PHE HZ H 6.73 0.02 1 508 49 49 PHE C C 176.8 0.2 1 509 49 49 PHE CA C 57.3 0.2 1 510 49 49 PHE CB C 43.3 0.2 1 511 49 49 PHE N N 127.7 0.1 1 512 50 50 SER H H 8.43 0.01 1 513 50 50 SER HA H 4.64 0.01 1 514 50 50 SER HB2 H 3.83 0.02 2 515 50 50 SER HB3 H 3.83 0.02 2 516 50 50 SER C C 178.9 0.2 1 517 50 50 SER CA C 57.2 0.2 1 518 50 50 SER CB C 65.8 0.2 1 519 50 50 SER N N 122.2 0.1 1 520 51 51 THR H H 8.30 0.01 1 521 51 51 THR HA H 5.22 0.01 1 522 51 51 THR HB H 4.13 0.01 1 523 51 51 THR HG2 H 1.09 0.01 1 524 51 51 THR C C 176.9 0.1 1 525 51 51 THR CA C 59.8 0.2 1 526 51 51 THR CB C 71.2 0.2 1 527 51 51 THR CG2 C 22.2 0.2 1 528 51 51 THR N N 111.6 0.1 1 529 52 52 GLN H H 8.94 0.01 1 530 52 52 GLN HA H 5.24 0.01 1 531 52 52 GLN HB2 H 2.16 0.01 2 532 52 52 GLN HB3 H 2.08 0.01 2 533 52 52 GLN HG2 H 1.92 0.01 9 534 52 52 GLN HG3 H 1.81 0.01 9 535 52 52 GLN C C 175.6 0.2 1 536 52 52 GLN CA C 54.0 0.2 1 537 52 52 GLN CB C 33.3 0.2 1 538 52 52 GLN N N 121.5 0.1 1 539 53 53 ASP H H 8.26 0.01 1 540 53 53 ASP HA H 4.88 0.02 1 541 53 53 ASP HB2 H 2.72 0.02 2 542 53 53 ASP HB3 H 2.72 0.02 2 543 53 53 ASP C C 173.3 0.1 1 544 53 53 ASP CA C 52.7 0.2 1 545 53 53 ASP CB C 41.9 0.2 1 546 53 53 ASP N N 121.7 0.1 1 547 54 54 GLU H H 8.98 0.01 1 548 54 54 GLU HA H 4.20 0.01 1 549 54 54 GLU HB2 H 2.20 0.01 2 550 54 54 GLU HB3 H 2.20 0.01 2 551 54 54 GLU HG2 H 2.35 0.01 2 552 54 54 GLU HG3 H 2.35 0.01 2 553 54 54 GLU C C 173.5 0.1 1 554 54 54 GLU CA C 58.6 0.2 1 555 54 54 GLU CB C 29.2 0.2 1 556 54 54 GLU CG C 35.9 0.2 1 557 54 54 GLU N N 118.1 0.1 1 558 55 55 LYS H H 8.19 0.01 1 559 55 55 LYS HA H 4.45 0.01 1 560 55 55 LYS HB2 H 2.02 0.01 1 561 55 55 LYS HB3 H 2.02 0.01 1 562 55 55 LYS HD2 H 1.71 0.01 1 563 55 55 LYS HD3 H 1.71 0.01 1 564 55 55 LYS HE2 H 3.02 0.01 1 565 55 55 LYS HE3 H 3.02 0.01 1 566 55 55 LYS HG2 H 1.47 0.01 1 567 55 55 LYS HG3 H 1.47 0.01 1 568 55 55 LYS C C 174.0 0.1 1 569 55 55 LYS CA C 55.6 0.2 1 570 55 55 LYS CB C 32.7 0.2 1 571 55 55 LYS CD C 29.1 0.2 1 572 55 55 LYS CE C 42.1 0.2 1 573 55 55 LYS CG C 25.5 0.2 1 574 55 55 LYS N N 120.1 0.1 1 575 56 56 GLY H H 8.14 0.01 1 576 56 56 GLY HA2 H 4.14 0.01 2 577 56 56 GLY HA3 H 3.69 0.01 2 578 56 56 GLY C C 177.0 0.1 1 579 56 56 GLY CA C 45.4 0.2 1 580 56 56 GLY N N 109.1 0.1 1 581 57 57 ILE H H 8.44 0.01 1 582 57 57 ILE HA H 4.14 0.01 1 583 57 57 ILE HB H 2.18 0.01 1 584 57 57 ILE HD1 H 0.82 0.01 1 585 57 57 ILE HG12 H 1.24 0.01 2 586 57 57 ILE HG13 H 1.24 0.01 2 587 57 57 ILE HG2 H 0.92 0.01 1 588 57 57 ILE C C 173.4 0.1 1 589 57 57 ILE CA C 60.4 0.2 1 590 57 57 ILE CB C 36.7 0.2 1 591 57 57 ILE CD1 C 11.1 0.2 1 592 57 57 ILE CG1 C 27.7 0.2 1 593 57 57 ILE CG2 C 17.4 0.2 1 594 57 57 ILE N N 124.1 0.2 1 595 58 58 THR H H 8.63 0.01 1 596 58 58 THR HA H 4.57 0.01 1 597 58 58 THR HB H 4.13 0.01 1 598 58 58 THR HG2 H 1.30 0.01 1 599 58 58 THR C C 176.7 0.1 1 600 58 58 THR CA C 63.5 0.2 1 601 58 58 THR CB C 69.8 0.2 1 602 58 58 THR CG2 C 22.1 0.2 1 603 58 58 THR N N 125.4 0.1 1 604 59 59 GLN H H 8.70 0.01 1 605 59 59 GLN HA H 4.62 0.01 1 606 59 59 GLN HB2 H 1.85 0.01 1 607 59 59 GLN HB3 H 1.85 0.01 1 608 59 59 GLN C C 175.2 0.1 1 609 59 59 GLN CA C 54.2 0.2 1 610 59 59 GLN CB C 30.5 0.2 1 611 59 59 GLN N N 125.7 0.1 1 612 60 60 ASN CA C 53.8 0.2 1 613 60 60 ASN CB C 39.1 0.2 1 614 61 61 GLY H H 8.44 0.01 1 615 61 61 GLY HA2 H 4.08 0.01 2 616 61 61 GLY HA3 H 3.88 0.01 2 617 61 61 GLY C C 176.6 0.1 1 618 61 61 GLY CA C 46.1 0.2 1 619 61 61 GLY N N 109.1 0.1 1 620 62 62 ARG H H 8.45 0.01 1 621 62 62 ARG HA H 4.43 0.01 1 622 62 62 ARG HB2 H 1.79 0.01 2 623 62 62 ARG HB3 H 1.79 0.01 2 624 62 62 ARG HD2 H 3.15 0.01 2 625 62 62 ARG HD3 H 3.15 0.01 2 626 62 62 ARG HG2 H 2.10 0.01 2 627 62 62 ARG HG3 H 1.57 0.01 2 628 62 62 ARG C C 175.4 0.2 1 629 62 62 ARG CA C 55.7 0.2 1 630 62 62 ARG CB C 30.5 0.2 1 631 62 62 ARG CD C 42.8 0.2 1 632 62 62 ARG CG C 27.5 0.2 1 633 62 62 ARG N N 119.3 0.1 1 634 63 63 LEU H H 8.09 0.01 1 635 63 63 LEU HA H 4.14 0.01 1 636 63 63 LEU HB2 H 1.56 0.01 1 637 63 63 LEU HB3 H 1.56 0.01 1 638 63 63 LEU HD1 H 0.51 0.01 2 639 63 63 LEU HD2 H 0.46 0.01 2 640 63 63 LEU HG H 1.45 0.01 1 641 63 63 LEU C C 174.2 0.2 1 642 63 63 LEU CA C 55.5 0.2 1 643 63 63 LEU CB C 42.6 0.2 1 644 63 63 LEU CD1 C 24.5 0.2 1 645 63 63 LEU CD2 C 24.5 0.2 1 646 63 63 LEU CG C 27.2 0.2 1 647 63 63 LEU N N 123.1 0.1 1 648 64 64 ILE H H 8.40 0.01 1 649 64 64 ILE HA H 4.07 0.01 1 650 64 64 ILE HB H 1.59 0.01 1 651 64 64 ILE HD1 H 0.68 0.01 1 652 64 64 ILE HG12 H 1.29 0.01 2 653 64 64 ILE HG13 H 1.26 0.01 2 654 64 64 ILE HG2 H 0.81 0.01 1 655 64 64 ILE C C 173.8 0.1 1 656 64 64 ILE CA C 61.4 0.2 1 657 64 64 ILE CB C 37.6 0.2 1 658 64 64 ILE CD1 C 11.4 0.2 1 659 64 64 ILE CG1 C 28.1 0.2 1 660 64 64 ILE CG2 C 17.4 0.2 1 661 64 64 ILE N N 125.5 0.1 1 662 65 65 THR H H 7.35 0.01 1 663 65 65 THR HA H 4.06 0.01 1 664 65 65 THR HB H 3.89 0.01 1 665 65 65 THR HG2 H 1.20 0.01 1 666 65 65 THR C C 177.2 0.1 1 667 65 65 THR CA C 62.3 0.2 1 668 65 65 THR CB C 70.0 0.2 1 669 65 65 THR CG2 C 21.8 0.2 1 670 65 65 THR N N 116.4 0.1 1 671 66 66 ALA H H 8.16 0.01 1 672 66 66 ALA HA H 4.07 0.01 1 673 66 66 ALA HB H 1.37 0.01 1 674 66 66 ALA C C 173.5 0.1 1 675 66 66 ALA CA C 53.3 0.2 1 676 66 66 ALA CB C 19.7 0.2 1 677 66 66 ALA N N 128.6 0.1 1 678 67 67 ASN H H 8.56 0.01 1 679 67 67 ASN HA H 4.68 0.01 1 680 67 67 ASN HB2 H 2.78 0.01 2 681 67 67 ASN HB3 H 2.60 0.01 2 682 67 67 ASN C C 179.4 0.1 1 683 67 67 ASN CA C 52.3 0.2 1 684 67 67 ASN CB C 39.4 0.2 1 685 67 67 ASN N N 116.0 0.1 1 686 68 68 PRO HA H 4.43 0.01 1 687 68 68 PRO HB2 H 2.15 0.02 2 688 68 68 PRO HB3 H 1.82 0.02 2 689 68 68 PRO HG2 H 1.77 0.02 1 690 68 68 PRO HG3 H 1.77 0.02 1 691 68 68 PRO C C 175.3 0.1 1 692 68 68 PRO CA C 63.0 0.2 1 693 68 68 PRO CB C 31.1 0.2 1 694 68 68 PRO CG C 27.5 0.2 1 695 69 69 ILE H H 8.02 0.01 1 696 69 69 ILE HA H 4.80 0.01 1 697 69 69 ILE HB H 1.50 0.01 1 698 69 69 ILE HD1 H 0.51 0.01 1 699 69 69 ILE HG12 H 1.19 0.01 2 700 69 69 ILE HG13 H 0.95 0.01 2 701 69 69 ILE HG2 H 0.43 0.01 1 702 69 69 ILE C C 175.3 0.1 1 703 69 69 ILE CA C 59.1 0.2 1 704 69 69 ILE CB C 42.8 0.2 1 705 69 69 ILE CD1 C 13.2 0.2 1 706 69 69 ILE CG1 C 26.4 0.2 1 707 69 69 ILE CG2 C 17.0 0.2 1 708 69 69 ILE N N 123.0 0.1 1 709 70 70 VAL H H 8.70 0.01 1 710 70 70 VAL HA H 4.17 0.01 1 711 70 70 VAL HB H 2.04 0.01 1 712 70 70 VAL HG1 H 0.77 0.01 2 713 70 70 VAL HG2 H 0.74 0.01 2 714 70 70 VAL C C 175.3 0.1 1 715 70 70 VAL CA C 61.3 0.2 1 716 70 70 VAL CB C 33.0 0.2 1 717 70 70 VAL CG1 C 21.3 0.2 2 718 70 70 VAL CG2 C 21.3 0.2 2 719 70 70 VAL N N 123.8 0.1 1 720 71 71 THR H H 8.23 0.01 1 721 71 71 THR HA H 4.24 0.01 1 722 71 71 THR HB H 4.18 0.01 1 723 71 71 THR HG2 H 1.18 0.01 1 724 71 71 THR C C 176.0 0.1 1 725 71 71 THR CA C 62.9 0.2 1 726 71 71 THR CB C 69.1 0.2 1 727 71 71 THR N N 118.7 0.1 1 728 72 72 ASP H H 8.02 0.01 1 729 72 72 ASP HA H 4.63 0.01 1 730 72 72 ASP HB2 H 2.62 0.01 1 731 72 72 ASP HB3 H 2.62 0.01 1 732 72 72 ASP C C 174.1 0.2 1 733 72 72 ASP CA C 53.3 0.2 1 734 72 72 ASP CB C 43.5 0.2 1 735 72 72 ASP N N 123.0 0.1 1 736 73 73 LYS H H 9.15 0.01 1 737 73 73 LYS HA H 4.18 0.01 1 738 73 73 LYS HB2 H 2.27 0.01 2 739 73 73 LYS HB3 H 1.76 0.01 2 740 73 73 LYS HD2 H 1.60 0.01 2 741 73 73 LYS HD3 H 1.60 0.01 2 742 73 73 LYS HG2 H 1.37 0.01 2 743 73 73 LYS HG3 H 1.37 0.01 2 744 73 73 LYS C C 173.4 0.1 1 745 73 73 LYS CA C 59.4 0.2 1 746 73 73 LYS CB C 31.6 0.2 1 747 73 73 LYS CD C 29.8 0.2 1 748 73 73 LYS CE C 42.0 0.2 1 749 73 73 LYS CG C 24.0 0.2 1 750 73 73 LYS N N 126.6 0.1 1 751 74 74 GLU H H 8.74 0.01 1 752 74 74 GLU HA H 4.28 0.01 1 753 74 74 GLU HB2 H 2.23 0.01 2 754 74 74 GLU HB3 H 1.92 0.01 2 755 74 74 GLU HG2 H 2.42 0.01 2 756 74 74 GLU HG3 H 2.27 0.01 2 757 74 74 GLU C C 174.2 0.1 1 758 74 74 GLU CA C 56.9 0.2 1 759 74 74 GLU CB C 29.8 0.2 1 760 74 74 GLU CG C 36.6 0.2 1 761 74 74 GLU N N 118.3 0.2 1 762 75 75 LYS H H 7.97 0.01 1 763 75 75 LYS HA H 4.95 0.01 1 764 75 75 LYS HB2 H 1.93 0.01 1 765 75 75 LYS HB3 H 1.93 0.01 1 766 75 75 LYS HD2 H 1.73 0.01 2 767 75 75 LYS HD3 H 1.65 0.01 2 768 75 75 LYS HE2 H 2.99 0.01 1 769 75 75 LYS HE3 H 2.99 0.01 1 770 75 75 LYS HG2 H 1.44 0.01 1 771 75 75 LYS HG3 H 1.44 0.01 1 772 75 75 LYS C C 176.7 0.1 1 773 75 75 LYS CA C 52.8 0.2 1 774 75 75 LYS CB C 33.9 0.2 1 775 75 75 LYS CE C 42.2 0.2 1 776 75 75 LYS CG C 22.8 0.2 1 777 75 75 LYS N N 121.3 0.1 1 778 76 76 PRO HA H 4.92 0.01 1 779 76 76 PRO HB2 H 2.02 0.01 2 780 76 76 PRO HB3 H 1.82 0.01 2 781 76 76 PRO HD2 H 3.97 0.01 2 782 76 76 PRO HD3 H 3.78 0.01 2 783 76 76 PRO HG2 H 2.03 0.01 2 784 76 76 PRO HG3 H 1.93 0.01 2 785 76 76 PRO C C 174.8 0.1 1 786 76 76 PRO CA C 62.6 0.2 1 787 76 76 PRO CB C 33.1 0.2 1 788 76 76 PRO CD C 51.0 0.2 1 789 76 76 PRO CG C 27.6 0.2 1 790 77 77 VAL H H 9.21 0.01 1 791 77 77 VAL HA H 4.37 0.01 1 792 77 77 VAL HB H 1.81 0.01 1 793 77 77 VAL HG1 H 1.13 0.01 2 794 77 77 VAL HG2 H 0.89 0.01 2 795 77 77 VAL C C 175.9 0.1 1 796 77 77 VAL CA C 61.6 0.2 1 797 77 77 VAL CB C 35.1 0.2 1 798 77 77 VAL CG1 C 22.3 0.2 2 799 77 77 VAL CG2 C 21.3 0.2 2 800 77 77 VAL N N 122.6 0.1 1 801 78 78 SER H H 8.53 0.01 1 802 78 78 SER HA H 5.12 0.01 1 803 78 78 SER HB2 H 3.73 0.01 2 804 78 78 SER HB3 H 3.66 0.01 2 805 78 78 SER C C 177.4 0.1 1 806 78 78 SER CA C 57.6 0.2 1 807 78 78 SER CB C 64.1 0.2 1 808 78 78 SER N N 122.5 0.1 1 809 79 79 ILE H H 9.24 0.01 1 810 79 79 ILE HA H 4.18 0.01 1 811 79 79 ILE HB H 1.50 0.01 1 812 79 79 ILE HD1 H 0.55 0.01 1 813 79 79 ILE HG12 H 1.42 0.01 2 814 79 79 ILE HG13 H 0.62 0.01 2 815 79 79 ILE HG2 H 0.20 0.01 1 816 79 79 ILE C C 177.4 0.1 1 817 79 79 ILE CA C 60.5 0.2 1 818 79 79 ILE CB C 41.0 0.2 1 819 79 79 ILE CD1 C 14.3 0.2 1 820 79 79 ILE CG1 C 27.6 0.2 1 821 79 79 ILE CG2 C 18.6 0.2 1 822 79 79 ILE N N 126.8 0.1 1 823 80 80 GLU H H 8.65 0.01 1 824 80 80 GLU HA H 5.52 0.01 1 825 80 80 GLU HB2 H 1.66 0.01 2 826 80 80 GLU HB3 H 1.66 0.01 2 827 80 80 GLU HG2 H 2.19 0.01 2 828 80 80 GLU HG3 H 1.89 0.01 2 829 80 80 GLU C C 175.6 0.1 1 830 80 80 GLU CA C 54.0 0.2 1 831 80 80 GLU CB C 32.7 0.2 1 832 80 80 GLU CG C 36.6 0.2 1 833 80 80 GLU N N 127.4 0.1 1 834 81 81 ALA H H 8.87 0.01 1 835 81 81 ALA HA H 4.96 0.01 1 836 81 81 ALA HB H 1.11 0.01 1 837 81 81 ALA C C 176.0 0.1 1 838 81 81 ALA CA C 50.5 0.2 1 839 81 81 ALA CB C 13.6 0.2 1 840 81 81 ALA N N 127.9 0.1 1 841 82 82 LYS H H 8.88 0.01 1 842 82 82 LYS HA H 4.86 0.01 1 843 82 82 LYS HB2 H 1.94 0.01 2 844 82 82 LYS HB3 H 1.94 0.01 2 845 82 82 LYS HD2 H 1.61 0.01 2 846 82 82 LYS HD3 H 1.61 0.01 2 847 82 82 LYS HG2 H 1.47 0.01 2 848 82 82 LYS HG3 H 1.33 0.01 2 849 82 82 LYS C C 177.8 0.1 1 850 82 82 LYS CA C 53.4 0.2 1 851 82 82 LYS CB C 33.6 0.2 1 852 82 82 LYS N N 122.5 0.2 1 853 84 84 PRO HA H 4.46 0.01 1 854 84 84 PRO HB2 H 2.17 0.01 2 855 84 84 PRO HB3 H 2.08 0.01 2 856 84 84 PRO HG2 H 1.86 0.01 2 857 84 84 PRO C C 175.2 0.1 1 858 84 84 PRO CA C 62.1 0.2 1 859 84 84 PRO CB C 32.6 0.2 1 860 85 85 PHE H H 8.22 0.02 1 861 85 85 PHE HA H 4.24 0.02 1 862 85 85 PHE HB2 H 3.07 0.02 2 863 85 85 PHE HB3 H 2.95 0.02 2 864 85 85 PHE HD1 H 7.26 0.02 1 865 85 85 PHE HD2 H 7.26 0.02 1 866 85 85 PHE HE1 H 7.40 0.02 1 867 85 85 PHE HE2 H 7.40 0.02 1 868 85 85 PHE HZ H 7.34 0.02 1 869 85 85 PHE C C 174.3 0.1 1 870 85 85 PHE CA C 59.7 0.01 1 871 85 85 PHE CB C 39.8 0.01 1 872 85 85 PHE N N 118.5 0.1 1 873 86 86 GLY H H 8.55 0.01 1 874 86 86 GLY HA2 H 4.11 0.01 2 875 86 86 GLY HA3 H 3.34 0.01 2 876 86 86 GLY C C 177.0 0.1 1 877 86 86 GLY CA C 44.7 0.2 1 878 86 86 GLY N N 111.5 0.1 1 879 87 87 GLU H H 8.75 0.01 1 880 87 87 GLU HA H 4.59 0.01 1 881 87 87 GLU HB2 H 1.95 0.01 1 882 87 87 GLU HB3 H 1.95 0.01 1 883 87 87 GLU HG2 H 2.10 0.01 1 884 87 87 GLU HG3 H 2.10 0.01 1 885 87 87 GLU C C 175.0 0.1 1 886 87 87 GLU CA C 56.4 0.2 1 887 87 87 GLU CB C 30.4 0.2 1 888 87 87 GLU CG C 36.3 0.2 1 889 87 87 GLU N N 125.4 0.1 1 890 88 88 SER H H 8.56 0.01 1 891 88 88 SER HA H 4.66 0.01 1 892 88 88 SER HB2 H 3.83 0.01 2 893 88 88 SER HB3 H 3.74 0.01 2 894 88 88 SER C C 178.7 0.1 1 895 88 88 SER CA C 58.2 0.2 1 896 88 88 SER CB C 65.8 0.2 1 897 88 88 SER N N 119.4 0.1 1 898 89 89 TYR H H 8.72 0.01 1 899 89 89 TYR HA H 5.40 0.02 1 900 89 89 TYR HB2 H 2.63 0.02 2 901 89 89 TYR HB3 H 2.51 0.02 2 902 89 89 TYR HD1 H 6.88 0.02 3 903 89 89 TYR HD2 H 6.88 0.02 3 904 89 89 TYR HE1 H 6.76 0.02 3 905 89 89 TYR HE2 H 6.76 0.02 3 906 89 89 TYR C C 175.1 0.1 1 907 89 89 TYR CA C 55.6 0.2 1 908 89 89 TYR CB C 41.7 0.2 1 909 89 89 TYR N N 116.0 0.1 1 910 90 90 ILE H H 9.24 0.01 1 911 90 90 ILE HA H 4.23 0.01 1 912 90 90 ILE HB H 1.65 0.01 1 913 90 90 ILE HD1 H 0.55 0.01 1 914 90 90 ILE HG12 H 1.57 0.01 2 915 90 90 ILE HG13 H 0.82 0.01 2 916 90 90 ILE HG2 H 0.61 0.01 1 917 90 90 ILE C C 176.9 0.1 1 918 90 90 ILE CA C 61.0 0.2 1 919 90 90 ILE CB C 40.4 0.2 1 920 90 90 ILE CD1 C 13.9 0.2 1 921 90 90 ILE CG1 C 28.2 0.2 1 922 90 90 ILE CG2 C 18.3 0.2 1 923 90 90 ILE N N 124.7 0.1 1 924 91 91 VAL H H 8.62 0.01 1 925 91 91 VAL HA H 5.06 0.02 1 926 91 91 VAL HB H 1.82 0.02 1 927 91 91 VAL HG1 H 0.65 0.02 2 928 91 91 VAL HG2 H 0.61 0.02 2 929 91 91 VAL C C 175.3 0.1 1 930 91 91 VAL CA C 61.2 0.2 1 931 91 91 VAL CB C 32.8 0.2 1 932 91 91 VAL CG1 C 21.8 0.2 2 933 91 91 VAL CG2 C 20.8 0.2 2 934 91 91 VAL N N 128.4 0.1 1 935 92 92 VAL H H 8.90 0.01 1 936 92 92 VAL HA H 4.47 0.01 1 937 92 92 VAL HB H 1.83 0.01 1 938 92 92 VAL HG1 H 0.16 0.01 2 939 92 92 VAL HG2 H 0.67 0.01 2 940 92 92 VAL C C 175.4 0.1 1 941 92 92 VAL CA C 61.1 0.2 1 942 92 92 VAL CB C 33.6 0.2 1 943 92 92 VAL CG1 C 21.6 0.2 2 944 92 92 VAL CG2 C 20.6 0.2 2 945 92 92 VAL N N 128.5 0.1 1 946 93 93 GLY H H 8.52 0.01 1 947 93 93 GLY HA2 H 5.01 0.02 2 948 93 93 GLY HA3 H 3.75 0.02 2 949 93 93 GLY C C 179.0 0.1 1 950 93 93 GLY CA C 43.6 0.2 1 951 93 93 GLY N N 113.3 0.1 1 952 94 94 ALA H H 8.61 0.01 1 953 94 94 ALA HA H 4.75 0.02 1 954 94 94 ALA HB H 1.43 0.02 1 955 94 94 ALA C C 172.3 0.1 1 956 94 94 ALA CA C 50.9 0.2 1 957 94 94 ALA CB C 22.7 0.2 1 958 94 94 ALA N N 121.4 0.1 1 959 95 95 GLY H H 8.59 0.01 1 960 95 95 GLY HA2 H 4.19 0.02 2 961 95 95 GLY HA3 H 3.88 0.02 2 962 95 95 GLY C C 175.2 0.1 1 963 95 95 GLY CA C 45.3 0.2 1 964 95 95 GLY N N 108.9 0.1 1 965 96 96 GLU H H 8.88 0.01 1 966 96 96 GLU HA H 4.11 0.01 1 967 96 96 GLU HB2 H 2.09 0.01 1 968 96 96 GLU HB3 H 2.09 0.01 1 969 96 96 GLU HG2 H 2.34 0.01 1 970 96 96 GLU HG3 H 2.34 0.01 1 971 96 96 GLU C C 172.9 0.1 1 972 96 96 GLU CA C 58.8 0.2 1 973 96 96 GLU CB C 29.9 0.2 1 974 96 96 GLU CG C 36.5 0.2 1 975 96 96 GLU N N 121.8 0.1 1 976 97 97 LYS H H 8.32 0.01 1 977 97 97 LYS HA H 4.47 0.01 1 978 97 97 LYS HB2 H 2.13 0.01 2 979 97 97 LYS HB3 H 1.81 0.01 2 980 97 97 LYS HD2 H 1.69 0.01 2 981 97 97 LYS HD3 H 1.69 0.01 2 982 97 97 LYS HE2 H 3.01 0.01 2 983 97 97 LYS HE3 H 3.01 0.01 2 984 97 97 LYS HG2 H 1.51 0.01 2 985 97 97 LYS HG3 H 1.38 0.01 2 986 97 97 LYS C C 174.8 0.1 1 987 97 97 LYS CA C 55.2 0.2 1 988 97 97 LYS CB C 31.6 0.2 1 989 97 97 LYS CD C 29.0 0.2 1 990 97 97 LYS CE C 42.3 0.2 1 991 97 97 LYS CG C 25.4 0.2 1 992 97 97 LYS N N 117.6 0.1 1 993 98 98 ALA H H 7.07 0.01 1 994 98 98 ALA HA H 4.08 0.01 1 995 98 98 ALA HB H 0.99 0.01 1 996 98 98 ALA C C 174.0 0.1 1 997 98 98 ALA CA C 53.4 0.2 1 998 98 98 ALA CB C 19.0 0.2 1 999 98 98 ALA N N 123.6 0.1 1 1000 99 99 LEU H H 8.68 0.01 1 1001 99 99 LEU HA H 4.40 0.01 1 1002 99 99 LEU HB2 H 1.80 0.01 2 1003 99 99 LEU HB3 H 1.80 0.01 2 1004 99 99 LEU HD1 H 0.96 0.01 2 1005 99 99 LEU HD2 H 0.87 0.01 2 1006 99 99 LEU HG H 1.57 0.01 1 1007 99 99 LEU C C 176.4 0.01 1 1008 99 99 LEU CA C 54.7 0.2 1 1009 99 99 LEU CB C 42.9 0.2 1 1010 99 99 LEU CD1 C 24.7 0.2 1 1011 99 99 LEU CD2 C 24.7 0.2 1 1012 99 99 LEU CG C 27.3 0.2 1 1013 99 99 LEU N N 125.8 0.1 1 1014 100 100 LYS H H 8.42 0.01 1 1015 100 100 LYS HA H 5.00 0.02 1 1016 100 100 LYS HB2 H 1.61 0.02 2 1017 100 100 LYS HB3 H 1.55 0.02 2 1018 100 100 LYS HD2 H 1.35 0.02 2 1019 100 100 LYS HD3 H 1.35 0.02 2 1020 100 100 LYS HE2 H 2.39 0.02 2 1021 100 100 LYS HE3 H 2.32 0.02 2 1022 100 100 LYS HG2 H 1.13 0.02 2 1023 100 100 LYS HG3 H 1.08 0.02 2 1024 100 100 LYS C C 175.4 0.1 1 1025 100 100 LYS CA C 55.5 0.2 1 1026 100 100 LYS CB C 33.7 0.2 1 1027 100 100 LYS CD C 29.5 0.2 1 1028 100 100 LYS CE C 41.5 0.2 1 1029 100 100 LYS CG C 25.6 0.2 1 1030 100 100 LYS N N 127.1 0.1 1 1031 101 101 LEU H H 9.48 0.01 1 1032 101 101 LEU HA H 4.82 0.01 1 1033 101 101 LEU HB2 H 1.94 0.01 2 1034 101 101 LEU HB3 H 1.63 0.01 2 1035 101 101 LEU HD1 H 0.83 0.01 2 1036 101 101 LEU HD2 H 0.99 0.01 2 1037 101 101 LEU HG H 1.67 0.01 1 1038 101 101 LEU C C 174.7 0.1 1 1039 101 101 LEU CA C 53.5 0.2 1 1040 101 101 LEU CB C 43.6 0.2 1 1041 101 101 LEU CD1 C 26.6 0.2 2 1042 101 101 LEU CD2 C 24.5 0.2 2 1043 101 101 LEU CG C 26.6 0.2 1 1044 101 101 LEU N N 128.1 0.1 1 1045 102 102 SER H H 8.66 0.01 1 1046 102 102 SER HA H 4.66 0.01 1 1047 102 102 SER HB2 H 3.78 0.01 2 1048 102 102 SER HB3 H 3.78 0.01 2 1049 102 102 SER C C 177.2 0.1 1 1050 102 102 SER CA C 58.1 0.2 1 1051 102 102 SER CB C 64.4 0.2 1 1052 102 102 SER N N 119.1 0.2 1 1053 103 103 TRP H H 8.61 0.01 1 1054 103 103 TRP HA H 4.76 0.02 1 1055 103 103 TRP HB2 H 2.95 0.02 1 1056 103 103 TRP HB3 H 2.95 0.02 1 1057 103 103 TRP HD1 H 7.07 0.02 1 1058 103 103 TRP HE1 H 10.11 0.02 1 1059 103 103 TRP HE3 H 7.68 0.02 1 1060 103 103 TRP HH2 H 7.15 0.02 1 1061 103 103 TRP HZ2 H 7.41 0.02 1 1062 103 103 TRP HZ3 H 7.08 0.02 1 1063 103 103 TRP C C 177.6 0.1 1 1064 103 103 TRP CA C 56.8 0.2 1 1065 103 103 TRP CB C 32.3 0.2 1 1066 103 103 TRP N N 125.1 0.1 1 1067 103 103 TRP NE1 N 129.2 0.1 1 1068 104 104 PHE H H 6.82 0.01 1 1069 104 104 PHE HA H 4.71 0.02 1 1070 104 104 PHE HB2 H 2.75 0.02 2 1071 104 104 PHE HB3 H 2.66 0.02 2 1072 104 104 PHE HD1 H 6.95 0.02 3 1073 104 104 PHE HD2 H 6.95 0.02 3 1074 104 104 PHE HE1 H 7.23 0.02 3 1075 104 104 PHE HE2 H 7.23 0.02 3 1076 104 104 PHE HZ H 7.27 0.02 1 1077 104 104 PHE C C 177.3 0.1 1 1078 104 104 PHE CA C 56.3 0.2 1 1079 104 104 PHE CB C 40.8 0.2 1 1080 104 104 PHE N N 124.8 0.1 1 1081 105 105 LYS H H 7.82 0.01 1 1082 105 105 LYS HA H 4.29 0.01 1 1083 105 105 LYS HB2 H 1.94 0.02 2 1084 105 105 LYS HB3 H 1.47 0.02 2 1085 105 105 LYS HD2 H 2.24 0.02 2 1086 105 105 LYS HD3 H 1.94 0.02 2 1087 105 105 LYS HG2 H 1.34 0.02 2 1088 105 105 LYS HG3 H 1.34 0.02 2 1089 105 105 LYS C C 175.3 0.2 1 1090 105 105 LYS CA C 55.0 0.2 1 1091 105 105 LYS CB C 34.1 0.2 1 1092 105 105 LYS CD C 29.3 0.2 1 1093 105 105 LYS CG C 24.8 0.2 1 1094 105 105 LYS N N 127.5 0.1 1 1095 106 106 LYS H H 8.55 0.01 1 1096 106 106 LYS HA H 4.16 0.02 1 1097 106 106 LYS HB2 H 1.81 0.02 2 1098 106 106 LYS HB3 H 1.81 0.02 2 1099 106 106 LYS HD2 H 1.69 0.02 2 1100 106 106 LYS HD3 H 1.69 0.02 2 1101 106 106 LYS HE2 H 3.00 0.02 2 1102 106 106 LYS HE3 H 3.00 0.02 2 1103 106 106 LYS HG2 H 1.46 0.02 2 1104 106 106 LYS HG3 H 1.46 0.02 2 1105 106 106 LYS C C 174.2 0.1 1 1106 106 106 LYS CA C 56.8 0.2 1 1107 106 106 LYS CB C 33.5 0.2 1 1108 106 106 LYS CD C 29.4 0.2 1 1109 106 106 LYS CE C 42.3 0.2 1 1110 106 106 LYS CG C 24.9 0.2 1 1111 106 106 LYS N N 127.7 0.1 1 1112 107 107 GLY H H 8.44 0.01 1 1113 107 107 GLY HA2 H 4.01 0.03 2 1114 107 107 GLY HA3 H 3.94 0.03 2 1115 107 107 GLY C C 177.0 0.1 1 1116 107 107 GLY CA C 45.1 0.2 1 1117 107 107 GLY N N 110.4 0.1 1 1118 108 108 SER H H 8.07 0.01 1 1119 108 108 SER HA H 4.35 0.01 1 1120 108 108 SER HB2 H 3.83 0.01 2 1121 108 108 SER HB3 H 3.77 0.01 2 1122 108 108 SER C C 176.3 0.1 1 1123 108 108 SER CA C 58.1 0.2 1 1124 108 108 SER CB C 63.9 0.2 1 1125 108 108 SER N N 115.5 0.1 1 1126 109 109 SER H H 8.40 0.01 1 1127 109 109 SER HA H 4.44 0.01 1 1128 109 109 SER HB2 H 3.87 0.01 2 1129 109 109 SER HB3 H 3.85 0.01 2 1130 109 109 SER C C 176.3 0.1 1 1131 109 109 SER CA C 58.3 0.2 1 1132 109 109 SER CB C 63.6 0.2 1 1133 109 109 SER N N 118.6 0.1 1 1134 110 110 ILE H H 8.08 0.01 1 1135 110 110 ILE HA H 4.21 0.01 1 1136 110 110 ILE HB H 1.90 0.01 1 1137 110 110 ILE HD1 H 0.87 0.01 1 1138 110 110 ILE HG12 H 1.47 0.01 2 1139 110 110 ILE HG13 H 1.19 0.01 2 1140 110 110 ILE HG2 H 0.92 0.01 1 1141 110 110 ILE C C 174.1 0.1 1 1142 110 110 ILE CA C 61.6 0.2 1 1143 110 110 ILE CB C 38.8 0.2 1 1144 110 110 ILE CD1 C 13.1 0.2 1 1145 110 110 ILE CG1 C 27.5 0.2 1 1146 110 110 ILE CG2 C 17.6 0.2 1 1147 110 110 ILE N N 122.5 0.1 1 1148 111 111 GLY H H 8.41 0.01 1 1149 111 111 GLY HA2 H 3.95 0.01 2 1150 111 111 GLY HA3 H 3.95 0.01 2 1151 111 111 GLY C C 177.7 0.1 1 1152 111 111 GLY CA C 45.5 0.2 1 1153 111 111 GLY N N 113.9 0.1 1 1154 112 112 LYS H H 7.76 0.01 1 1155 112 112 LYS HA H 4.21 0.01 1 1156 112 112 LYS HB2 H 1.83 0.01 2 1157 112 112 LYS HB3 H 1.69 0.01 2 1158 112 112 LYS HD2 H 1.70 0.01 2 1159 112 112 LYS HD3 H 1.70 0.01 2 1160 112 112 LYS HE2 H 2.98 0.01 2 1161 112 112 LYS HE3 H 2.98 0.01 2 1162 112 112 LYS HG2 H 1.38 0.01 2 1163 112 112 LYS HG3 H 1.38 0.01 2 1164 112 112 LYS C C 169.4 0.1 1 1165 112 112 LYS CA C 57.7 0.2 1 1166 112 112 LYS CB C 33.9 0.2 1 1167 112 112 LYS CG C 24.6 0.2 1 1168 112 112 LYS N N 126.6 0.2 1 stop_ save_