data_6725 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C and 15N resonance assignments for domain III of the Dengue Virus envelope protein ; _BMRB_accession_number 6725 _BMRB_flat_file_name bmr6725.str _Entry_type original _Submission_date 2005-07-05 _Accession_date 2005-07-05 _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 Wu Chih-wei . . 2 Cheng Jya-Wei . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 620 "13C chemical shifts" 420 "15N chemical shifts" 97 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2009-03-16 update BMRB 'correct residue number' 2005-10-27 original author 'original release' stop_ _Original_release_date 2005-07-05 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; 1H, 15N and 13C Resonance Assignments of the Domain III of the Dengue Virus Envelope Protein ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 16222568 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Wu Chih-wei . . 2 Lin Yi-Tang . . 3 Huang Kuo-Chun . . 4 Cheng Jya-Wei . . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_volume 33 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 76 _Page_last 76 _Year 2005 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Dengue envelope protein domain III' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Dengue envelop protein domain III' $Dengue_envelop_protein_domain_III stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state protein _System_paramagnetic no _System_thiol_state 'all disulfide bound' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_Dengue_envelop_protein_domain_III _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'DEN E-D3' _Molecular_mass . _Mol_thiol_state 'all disulfide bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 111 _Mol_residue_sequence ; MDKLQLKGMSYSMCTGKFKV VKEIAETQHGTIVIRVQYEG DGSPCKIPFEIMDLEKRHVL GRLITVNPIVTEKDSPVNIE AEPPFGDSYIIIGVEPGQLK LNWFKKGSSLE ; loop_ _Residue_seq_code _Residue_label 1 MET 2 ASP 3 LYS 4 LEU 5 GLN 6 LEU 7 LYS 8 GLY 9 MET 10 SER 11 TYR 12 SER 13 MET 14 CYS 15 THR 16 GLY 17 LYS 18 PHE 19 LYS 20 VAL 21 VAL 22 LYS 23 GLU 24 ILE 25 ALA 26 GLU 27 THR 28 GLN 29 HIS 30 GLY 31 THR 32 ILE 33 VAL 34 ILE 35 ARG 36 VAL 37 GLN 38 TYR 39 GLU 40 GLY 41 ASP 42 GLY 43 SER 44 PRO 45 CYS 46 LYS 47 ILE 48 PRO 49 PHE 50 GLU 51 ILE 52 MET 53 ASP 54 LEU 55 GLU 56 LYS 57 ARG 58 HIS 59 VAL 60 LEU 61 GLY 62 ARG 63 LEU 64 ILE 65 THR 66 VAL 67 ASN 68 PRO 69 ILE 70 VAL 71 THR 72 GLU 73 LYS 74 ASP 75 SER 76 PRO 77 VAL 78 ASN 79 ILE 80 GLU 81 ALA 82 GLU 83 PRO 84 PRO 85 PHE 86 GLY 87 ASP 88 SER 89 TYR 90 ILE 91 ILE 92 ILE 93 GLY 94 VAL 95 GLU 96 PRO 97 GLY 98 GLN 99 LEU 100 LYS 101 LEU 102 ASN 103 TRP 104 PHE 105 LYS 106 LYS 107 GLY 108 SER 109 SER 110 LEU 111 GLU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $Dengue_envelop_protein_domain_III 'Dengue virus' 11060 Viruses . Flavivirus 'Dengue virus type 2' 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 $Dengue_envelop_protein_domain_III 'recombinant technology' 'E. Coli' . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_DEN_E-D3 _Saveframe_category sample _Sample_type solution _Details '95 % H2O, 5% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Dengue_envelop_protein_domain_III 0.6 mM '[U-95% 13C; U-90% 15N]' H2O 95 % . D2O 5 % . Na2HPO4 50 mM . NaCL 100 mM . NaN3 10 mM . EDTA 0.1 mM . stop_ save_ ############################ # Computer software used # ############################ save_Xwinnmr _Saveframe_category software _Name Xwinnmr _Version 3.5 _Details . save_ save_Sparky _Saveframe_category software _Name SPARKY _Version . _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_600MHz_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_HNCA_1 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _Sample_label $DEN_E-D3 save_ save_HNCOCA_2 _Saveframe_category NMR_applied_experiment _Experiment_name HNCOCA _Sample_label $DEN_E-D3 save_ save_HNCO_3 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _Sample_label $DEN_E-D3 save_ save_HNCACO_4 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACO _Sample_label $DEN_E-D3 save_ save_CBCACONH_5 _Saveframe_category NMR_applied_experiment _Experiment_name CBCACONH _Sample_label $DEN_E-D3 save_ save_HNCACB_6 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _Sample_label $DEN_E-D3 save_ save_HNHA_7 _Saveframe_category NMR_applied_experiment _Experiment_name HNHA _Sample_label $DEN_E-D3 save_ save_HBHACONH_8 _Saveframe_category NMR_applied_experiment _Experiment_name HBHACONH _Sample_label $DEN_E-D3 save_ save_HBHANH_9 _Saveframe_category NMR_applied_experiment _Experiment_name HBHANH _Sample_label $DEN_E-D3 save_ save_HC(CO)NH_10 _Saveframe_category NMR_applied_experiment _Experiment_name HC(CO)NH _Sample_label $DEN_E-D3 save_ save_C(CO)NH_11 _Saveframe_category NMR_applied_experiment _Experiment_name C(CO)NH _Sample_label $DEN_E-D3 save_ save_HCCH-TOCSY_12 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-TOCSY _Sample_label $DEN_E-D3 save_ save_15N_TOCSY-HSQC_13 _Saveframe_category NMR_applied_experiment _Experiment_name '15N TOCSY-HSQC' _Sample_label $DEN_E-D3 save_ save_15N_NOESY-HSQC_14 _Saveframe_category NMR_applied_experiment _Experiment_name '15N NOESY-HSQC' _Sample_label $DEN_E-D3 save_ save_1H15N_HSQC_15 _Saveframe_category NMR_applied_experiment _Experiment_name '1H15N HSQC' _Sample_label $DEN_E-D3 save_ ####################### # Sample conditions # ####################### save_DEN_E-D3_NMR_buffer _Saveframe_category sample_conditions _Details ; Na2HPO4 50 mM NaCl 100mM NaN3 10 mM EDTA 0.1mM ; loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.5 0.1 pH temperature 293 0.1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _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 0.0 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 . 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_DEN_E-D3_chemical_shift_referencing _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $Xwinnmr $Sparky stop_ loop_ _Experiment_label '1H15N HSQC' stop_ loop_ _Sample_label $DEN_E-D3 stop_ _Sample_conditions_label $DEN_E-D3_NMR_buffer _Chem_shift_reference_set_label $chemical_shift_referencing _Mol_system_component_name 'Dengue envelop protein domain III' _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 4.30 0.02 1 2 1 1 MET HB2 H 1.56 0.02 1 3 1 1 MET HB3 H 2.15 0.02 1 4 1 1 MET HG2 H 2.85 0.02 1 5 1 1 MET HG3 H 2.85 0.02 1 6 1 1 MET C C 173.50 0.1 1 7 1 1 MET CA C 59.69 0.1 1 8 1 1 MET CB C 27.59 0.1 1 9 1 1 MET CG C 30.63 0.1 1 10 2 2 ASP H H 8.00 0.02 1 11 2 2 ASP HA H 4.96 0.02 1 12 2 2 ASP HB2 H 2.41 0.02 2 13 2 2 ASP HB3 H 2.79 0.02 2 14 2 2 ASP C C 171.25 0.1 1 15 2 2 ASP CA C 55.19 0.1 1 16 2 2 ASP CB C 40.24 0.1 1 17 2 2 ASP N N 128.14 0.1 1 18 3 3 LYS H H 8.24 0.02 1 19 3 3 LYS HA H 4.04 0.02 1 20 3 3 LYS HB2 H 1.55 0.02 2 21 3 3 LYS HB3 H 1.75 0.02 2 22 3 3 LYS HG2 H 1.40 0.02 1 23 3 3 LYS HG3 H 1.40 0.02 1 24 3 3 LYS HD2 H 1.63 0.02 1 25 3 3 LYS HD3 H 1.63 0.02 1 26 3 3 LYS HE2 H 2.84 0.02 1 27 3 3 LYS HE3 H 2.84 0.02 1 28 3 3 LYS C C 170.70 0.1 1 29 3 3 LYS CA C 52.35 0.1 1 30 3 3 LYS CB C 32.24 0.1 1 31 3 3 LYS CG C 21.86 0.1 1 32 3 3 LYS CD C 24.27 0.1 1 33 3 3 LYS CE C 39.69 0.1 1 34 3 3 LYS N N 127.09 0.1 1 35 4 4 LEU H H 8.251 0.02 1 36 4 4 LEU HA H 4.246 0.02 1 37 4 4 LEU HB2 H 1.507 0.02 1 38 4 4 LEU HB3 H 1.507 0.02 1 39 4 4 LEU HG H 1.453 0.02 1 40 4 4 LEU HD1 H 0.79 0.02 2 41 4 4 LEU HD2 H 0.74 0.02 2 42 4 4 LEU C C 175.4 0.1 1 43 4 4 LEU CA C 52.58 0.1 1 44 4 4 LEU CB C 39.62 0.1 1 45 4 4 LEU CG C 27.9 0.1 1 46 4 4 LEU CD1 C 22.87 0.1 1 47 4 4 LEU CD2 C 22.87 0.1 1 48 4 4 LEU N N 122.3 0.1 1 49 5 5 GLN H H 7.75 0.02 1 50 5 5 GLN HA H 3.976 0.02 1 51 5 5 GLN HB2 H 1.915 0.02 2 52 5 5 GLN HB3 H 1.743 0.02 2 53 5 5 GLN HG2 H 2.053 0.02 1 54 5 5 GLN HG3 H 2.053 0.02 1 55 5 5 GLN C C 172.30 0.1 1 56 5 5 GLN CA C 55.75 0.1 1 57 5 5 GLN CB C 27.72 0.1 1 58 5 5 GLN N N 125.65 0.1 1 59 6 6 LEU H H 8.11 0.02 1 60 6 6 LEU HA H 4.16 0.02 1 61 6 6 LEU HB2 H 1.44 0.02 1 62 6 6 LEU HB3 H 1.44 0.02 1 63 6 6 LEU HG H 1.28 0.02 1 64 6 6 LEU HD1 H 0.78 0.02 2 65 6 6 LEU HD2 H 0.73 0.02 2 66 6 6 LEU C C 175.00 0.1 1 67 6 6 LEU CA C 52.72 0.1 1 68 6 6 LEU CB C 39.52 0.1 1 69 6 6 LEU CG C 24.34 0.1 1 70 6 6 LEU CD1 C 21.98 0.1 1 71 6 6 LEU CD2 C 20.54 0.1 1 72 6 6 LEU N N 123.17 0.1 1 73 7 7 LYS H H 8.02 0.02 1 74 7 7 LYS HA H 4.06 0.02 1 75 7 7 LYS HB2 H 1.72 0.02 2 76 7 7 LYS HB3 H 1.98 0.02 2 77 7 7 LYS HG2 H 1.44 0.02 1 78 7 7 LYS HG3 H 1.44 0.02 1 79 7 7 LYS HD2 H 1.48 0.02 1 80 7 7 LYS HD3 H 1.48 0.02 1 81 7 7 LYS HE2 H 3.06 0.02 1 82 7 7 LYS HE3 H 3.06 0.02 1 83 7 7 LYS C C 173.58 0.1 1 84 7 7 LYS CA C 53.75 0.1 1 85 7 7 LYS CB C 27.74 0.1 1 86 7 7 LYS CE C 42.70 0.1 1 87 7 7 LYS N N 120.36 0.1 1 88 8 8 GLY H H 8.09 0.02 1 89 8 8 GLY HA2 H 4.10 0.02 2 90 8 8 GLY HA3 H 4.08 0.02 2 91 8 8 GLY C C 169.40 0.1 1 92 8 8 GLY CA C 42.55 0.1 1 93 8 8 GLY N N 120.00 0.1 1 94 9 9 MET H H 8.42 0.02 1 95 9 9 MET HA H 4.94 0.02 1 96 9 9 MET HB2 H 2.62 0.02 2 97 9 9 MET HB3 H 2.44 0.02 2 98 9 9 MET HG2 H 2.43 0.02 1 99 9 9 MET HG3 H 2.43 0.02 1 100 9 9 MET C C 176.56 0.1 1 101 9 9 MET CA C 50.59 0.1 1 102 9 9 MET CB C 40.78 0.1 1 103 9 9 MET N N 117.60 0.1 1 104 10 10 SER HA H 4.32 0.02 1 105 10 10 SER HB2 H 3.60 0.02 2 106 10 10 SER HB3 H 3.56 0.02 2 107 10 10 SER C C 171.47 0.1 1 108 10 10 SER CA C 54.71 0.1 1 109 10 10 SER CB C 61.23 0.1 1 110 11 11 TYR H H 7.88 0.02 1 111 11 11 TYR HA H 4.61 0.02 1 112 11 11 TYR HB2 H 3.01 0.02 2 113 11 11 TYR HB3 H 2.48 0.02 2 114 11 11 TYR C C 173.66 0.1 1 115 11 11 TYR CA C 54.45 0.1 1 116 11 11 TYR CB C 37.83 0.1 1 117 11 11 TYR N N 121.02 0.1 1 118 12 12 SER H H 8.94 0.02 1 119 12 12 SER HA H 4.48 0.02 1 120 12 12 SER HB2 H 3.88 0.02 2 121 12 12 SER HB3 H 3.77 0.02 2 122 12 12 SER C C 172.00 0.1 1 123 12 12 SER CA C 54.92 0.1 1 124 12 12 SER CB C 61.73 0.1 1 125 12 12 SER N N 117.27 0.1 1 126 13 13 MET H H 8.60 0.02 1 127 13 13 MET HA H 4.61 0.02 1 128 13 13 MET HB2 H 1.99 0.02 1 129 13 13 MET HB3 H 1.99 0.02 1 130 13 13 MET HG2 H 2.52 0.02 2 131 13 13 MET HG3 H 3.67 0.02 2 132 13 13 MET C C 175.68 0.1 1 133 13 13 MET CA C 52.49 0.1 1 134 13 13 MET CB C 28.88 0.1 1 135 13 13 MET CG C 33.52 0.1 1 136 13 13 MET CE C 22.52 0.1 1 137 13 13 MET N N 120.13 0.1 1 138 14 14 CYS H H 9.72 0.02 1 139 14 14 CYS HA H 4.70 0.02 1 140 14 14 CYS HB2 H 2.38 0.02 2 141 14 14 CYS HB3 H 2.96 0.02 2 142 14 14 CYS C C 175.25 0.1 1 143 14 14 CYS CA C 52.02 0.1 1 144 14 14 CYS CB C 37.39 0.1 1 145 14 14 CYS N N 123.23 0.1 1 146 15 15 THR H H 8.95 0.02 1 147 15 15 THR HA H 4.37 0.02 1 148 15 15 THR HB H 4.12 0.02 1 149 15 15 THR HG1 H 4.38 0.02 1 150 15 15 THR HG2 H 1.21 0.02 1 151 15 15 THR C C 174.01 0.1 1 152 15 15 THR CA C 59.70 0.1 1 153 15 15 THR CB C 67.47 0.1 1 154 15 15 THR CG2 C 19.24 0.1 1 155 15 15 THR N N 113.28 0.1 1 156 16 16 GLY H H 8.19 0.02 1 157 16 16 GLY HA2 H 4.41 0.02 2 158 16 16 GLY HA3 H 3.47 0.02 2 159 16 16 GLY C C 171.02 0.1 1 160 16 16 GLY CA C 42.10 0.1 1 161 16 16 GLY N N 109.48 0.1 1 162 17 17 LYS H H 8.02 0.02 1 163 17 17 LYS HA H 4.42 0.02 1 164 17 17 LYS HB2 H 1.49 0.02 2 165 17 17 LYS HB3 H 1.67 0.02 2 166 17 17 LYS HG2 H 1.31 0.02 2 167 17 17 LYS HG3 H 1.27 0.02 2 168 17 17 LYS HD2 H 1.56 0.02 2 169 17 17 LYS HD3 H 1.57 0.02 2 170 17 17 LYS HE2 H 2.87 0.02 1 171 17 17 LYS HE3 H 2.87 0.02 1 172 17 17 LYS C C 171.97 0.1 1 173 17 17 LYS CA C 53.91 0.1 1 174 17 17 LYS CB C 32.12 0.1 1 175 17 17 LYS CG C 22.79 0.1 1 176 17 17 LYS CD C 26.46 0.1 1 177 17 17 LYS CE C 41.85 0.1 1 178 17 17 LYS N N 119.76 0.1 1 179 18 18 PHE H H 9.36 0.02 1 180 18 18 PHE HA H 5.05 0.02 1 181 18 18 PHE HB2 H 2.80 0.02 2 182 18 18 PHE HB3 H 2.59 0.02 2 183 18 18 PHE C C 172.09 0.1 1 184 18 18 PHE CA C 54.64 0.1 1 185 18 18 PHE CB C 40.73 0.1 1 186 18 18 PHE N N 118.43 0.1 1 187 19 19 LYS H H 8.80 0.02 1 188 19 19 LYS HA H 4.68 0.02 1 189 19 19 LYS HB2 H 1.47 0.02 2 190 19 19 LYS HB3 H 1.59 0.02 2 191 19 19 LYS HG2 H 1.16 0.02 1 192 19 19 LYS HG3 H 1.16 0.02 1 193 19 19 LYS HD2 H 1.22 0.02 1 194 19 19 LYS HD3 H 1.22 0.02 1 195 19 19 LYS HE2 H 2.70 0.02 1 196 19 19 LYS HE3 H 2.70 0.02 1 197 19 19 LYS C C 173.36 0.1 1 198 19 19 LYS CA C 51.79 0.1 1 199 19 19 LYS CB C 33.52 0.1 1 200 19 19 LYS CG C 21.40 0.1 1 201 19 19 LYS CD C 26.26 0.1 1 202 19 19 LYS CE C 39.42 0.1 1 203 19 19 LYS N N 116.54 0.1 1 204 20 20 VAL H H 8.84 0.02 1 205 20 20 VAL HA H 4.29 0.02 1 206 20 20 VAL HB H 1.93 0.02 1 207 20 20 VAL HG1 H 0.88 0.02 2 208 20 20 VAL HG2 H 0.93 0.02 2 209 20 20 VAL C C 175.08 0.1 1 210 20 20 VAL CA C 60.44 0.1 1 211 20 20 VAL CB C 29.51 0.1 1 212 20 20 VAL CG1 C 19.20 0.1 1 213 20 20 VAL CG2 C 19.20 0.1 1 214 20 20 VAL N N 124.03 0.1 1 215 21 21 VAL H H 8.35 0.02 1 216 21 21 VAL HA H 4.25 0.02 1 217 21 21 VAL HB H 2.09 0.02 1 218 21 21 VAL HG1 H 0.85 0.02 2 219 21 21 VAL HG2 H 0.90 0.02 2 220 21 21 VAL C C 172.82 0.1 1 221 21 21 VAL CA C 59.60 0.1 1 222 21 21 VAL CB C 29.64 0.1 1 223 21 21 VAL CG1 C 19.23 0.1 1 224 21 21 VAL CG2 C 17.30 0.1 1 225 21 21 VAL N N 120.90 0.1 1 226 22 22 LYS H H 7.54 0.02 1 227 22 22 LYS HA H 4.38 0.02 1 228 22 22 LYS HB2 H 1.74 0.02 2 229 22 22 LYS HB3 H 1.69 0.02 2 230 22 22 LYS HG2 H 1.39 0.02 1 231 22 22 LYS HG3 H 1.39 0.02 1 232 22 22 LYS HD2 H 1.57 0.02 1 233 22 22 LYS HD3 H 1.57 0.02 1 234 22 22 LYS HE2 H 2.87 0.02 1 235 22 22 LYS HE3 H 2.87 0.02 1 236 22 22 LYS C C 172.47 0.1 1 237 22 22 LYS CA C 52.99 0.1 1 238 22 22 LYS CB C 32.86 0.1 1 239 22 22 LYS CG C 21.81 0.1 1 240 22 22 LYS CD C 26.18 0.1 1 241 22 22 LYS CE C 38.93 0.1 1 242 22 22 LYS N N 119.42 0.1 1 243 23 23 GLU H H 8.58 0.02 1 244 23 23 GLU HA H 4.12 0.02 1 245 23 23 GLU HB2 H 2.01 0.02 2 246 23 23 GLU HB3 H 1.90 0.02 2 247 23 23 GLU HG2 H 2.30 0.02 2 248 23 23 GLU HG3 H 2.72 0.02 2 249 23 23 GLU C C 174.49 0.1 1 250 23 23 GLU CA C 54.42 0.1 1 251 23 23 GLU CB C 27.06 0.1 1 252 23 23 GLU CG C 33.59 0.1 1 253 23 23 GLU N N 122.41 0.1 1 254 24 24 ILE H H 8.65 0.02 1 255 24 24 ILE HA H 3.67 0.02 1 256 24 24 ILE HB H 1.64 0.02 1 257 24 24 ILE HG12 H 0.98 0.02 1 258 24 24 ILE HG13 H 0.98 0.02 1 259 24 24 ILE HG2 H 0.74 0.02 1 260 24 24 ILE HD1 H 0.71 0.02 1 261 24 24 ILE C C 172.70 0.1 1 262 24 24 ILE CA C 61.40 0.1 1 263 24 24 ILE CB C 35.41 0.1 1 264 24 24 ILE CG1 C 26.70 0.1 1 265 24 24 ILE CG2 C 15.66 0.1 1 266 24 24 ILE CD1 C 11.28 0.1 1 267 24 24 ILE N N 125.03 0.1 1 268 25 25 ALA H H 7.81 0.02 1 269 25 25 ALA HA H 4.67 0.02 1 270 25 25 ALA HB H 1.24 0.02 1 271 25 25 ALA C C 173.52 0.1 1 272 25 25 ALA CA C 47.79 0.1 1 273 25 25 ALA CB C 19.13 0.1 1 274 25 25 ALA N N 129.19 0.1 1 275 26 26 GLU H H 8.67 0.02 1 276 26 26 GLU HA H 4.88 0.02 1 277 26 26 GLU HB2 H 2.00 0.02 2 278 26 26 GLU HB3 H 2.15 0.02 2 279 26 26 GLU HG2 H 2.49 0.02 2 280 26 26 GLU HG3 H 2.35 0.02 2 281 26 26 GLU C C 175.35 0.1 1 282 26 26 GLU CA C 52.70 0.1 1 283 26 26 GLU CB C 29.38 0.1 1 284 26 26 GLU CG C 34.80 0.1 1 285 26 26 GLU N N 120.80 0.1 1 286 27 27 THR H H 8.45 0.02 1 287 27 27 THR HA H 4.39 0.02 1 288 27 27 THR HB H 4.17 0.02 1 289 27 27 THR HG1 H 4.40 0.02 1 290 27 27 THR HG2 H 0.80 0.02 1 291 27 27 THR C C 173.96 0.1 1 292 27 27 THR CA C 57.72 0.1 1 293 27 27 THR CB C 68.90 0.1 1 294 27 27 THR N N 114.96 0.1 1 295 28 28 GLN HA H 4.15 0.02 1 296 28 28 GLN HB2 H 1.88 0.02 2 297 28 28 GLN HB3 H 2.02 0.02 2 298 28 28 GLN HG2 H 2.14 0.02 1 299 28 28 GLN HG3 H 2.14 0.02 1 300 28 28 GLN C C 173.62 0.1 1 301 28 28 GLN CA C 54.46 0.1 1 302 28 28 GLN CB C 25.53 0.1 1 303 28 28 GLN CG C 31.22 0.1 1 304 29 29 HIS H H 7.48 0.02 1 305 29 29 HIS HA H 4.79 0.02 1 306 29 29 HIS HB2 H 2.94 0.02 2 307 29 29 HIS HB3 H 3.07 0.02 2 308 29 29 HIS C C 173.57 0.1 1 309 29 29 HIS CA C 52.46 0.1 1 310 29 29 HIS CB C 27.17 0.1 1 311 29 29 HIS N N 114.40 0.1 1 312 30 30 GLY H H 7.73 0.02 1 313 30 30 GLY HA2 H 3.97 0.02 2 314 30 30 GLY HA3 H 3.72 0.02 2 315 30 30 GLY C C 172.63 0.1 1 316 30 30 GLY CA C 43.91 0.1 1 317 30 30 GLY N N 107.15 0.1 1 318 31 31 THR H H 6.85 0.02 1 319 31 31 THR HA H 4.68 0.02 1 320 31 31 THR HB H 4.27 0.02 1 321 31 31 THR HG1 H 4.86 0.02 1 322 31 31 THR HG2 H 0.86 0.02 1 323 31 31 THR C C 170.97 0.1 1 324 31 31 THR CA C 56.28 0.1 1 325 31 31 THR CB C 68.03 0.1 1 326 31 31 THR CG2 C 20.15 0.1 1 327 31 31 THR N N 108.19 0.1 1 328 32 32 ILE H H 8.84 0.02 1 329 32 32 ILE HA H 5.25 0.02 1 330 32 32 ILE HB H 1.05 0.02 1 331 32 32 ILE HG12 H 0.74 0.02 1 332 32 32 ILE HG13 H 0.74 0.02 1 333 32 32 ILE C C 172.17 0.1 1 334 32 32 ILE CA C 56.08 0.1 1 335 32 32 ILE CB C 38.61 0.1 1 336 32 32 ILE CG1 C 22.11 0.1 1 337 32 32 ILE CG2 C 15.75 0.1 1 338 32 32 ILE CD1 C 10.71 0.1 1 339 32 32 ILE N N 111.34 0.1 1 340 33 33 VAL H H 8.57 0.02 1 341 33 33 VAL HA H 4.76 0.02 1 342 33 33 VAL HB H 1.63 0.02 1 343 33 33 VAL HG1 H 0.52 0.02 2 344 33 33 VAL HG2 H 0.52 0.02 2 345 33 33 VAL C C 173.17 0.1 1 346 33 33 VAL CA C 58.19 0.1 1 347 33 33 VAL CB C 31.35 0.1 1 348 33 33 VAL CG1 C 18.06 0.1 1 349 33 33 VAL CG2 C 18.06 0.1 1 350 33 33 VAL N N 119.20 0.1 1 351 34 34 ILE H H 9.15 0.02 1 352 34 34 ILE HA H 4.29 0.02 1 353 34 34 ILE HB H 1.45 0.02 1 354 34 34 ILE HG12 H 1.33 0.02 2 355 34 34 ILE HG13 H 1.32 0.02 2 356 34 34 ILE HG2 H 0.79 0.02 1 357 34 34 ILE HD1 H 0.54 0.02 1 358 34 34 ILE C C 170.33 0.1 1 359 34 34 ILE CA C 56.94 0.1 1 360 34 34 ILE CB C 38.98 0.1 1 361 34 34 ILE CD1 C 12.83 0.1 1 362 34 34 ILE N N 129.70 0.1 1 363 35 35 ARG H H 8.91 0.02 1 364 35 35 ARG HA H 5.29 0.02 1 365 35 35 ARG HB2 H 1.59 0.02 2 366 35 35 ARG HB3 H 1.44 0.02 2 367 35 35 ARG HG2 H 1.01 0.02 1 368 35 35 ARG HG3 H 1.01 0.02 1 369 35 35 ARG HD2 H 2.44 0.02 1 370 35 35 ARG HD3 H 2.44 0.02 1 371 35 35 ARG C C 173.51 0.1 1 372 35 35 ARG CA C 52.25 0.1 1 373 35 35 ARG CB C 29.62 0.1 1 374 35 35 ARG CG C 24.66 0.1 1 375 35 35 ARG CD C 41.25 0.1 1 376 35 35 ARG N N 129.74 0.1 1 377 36 36 VAL H H 8.76 0.02 1 378 36 36 VAL HA H 5.49 0.02 1 379 36 36 VAL HB H 2.08 0.02 1 380 36 36 VAL HG1 H 0.71 0.02 2 381 36 36 VAL HG2 H 0.71 0.02 2 382 36 36 VAL C C 171.61 0.1 1 383 36 36 VAL CA C 55.50 0.1 1 384 36 36 VAL CB C 33.30 0.1 1 385 36 36 VAL CG1 C 19.20 0.1 1 386 36 36 VAL CG2 C 15.85 0.1 1 387 36 36 VAL N N 117.59 0.1 1 388 37 37 GLN H H 9.24 0.02 1 389 37 37 GLN HA H 4.74 0.02 1 390 37 37 GLN HB2 H 2.11 0.02 2 391 37 37 GLN HB3 H 1.69 0.02 2 392 37 37 GLN HG2 H 2.95 0.02 2 393 37 37 GLN HG3 H 2.46 0.02 2 394 37 37 GLN C C 171.61 0.1 1 395 37 37 GLN CA C 51.65 0.1 1 396 37 37 GLN CB C 30.57 0.1 1 397 37 37 GLN N N 119.98 0.1 1 398 38 38 TYR H H 9.45 0.02 1 399 38 38 TYR HA H 4.28 0.02 1 400 38 38 TYR HB2 H 2.59 0.02 2 401 38 38 TYR HB3 H 2.69 0.02 2 402 38 38 TYR C C 172.36 0.1 1 403 38 38 TYR CA C 53.32 0.1 1 404 38 38 TYR CB C 38.74 0.1 1 405 38 38 TYR N N 126.97 0.1 1 406 39 39 GLU H H 8.35 0.02 1 407 39 39 GLU HA H 4.17 0.02 1 408 39 39 GLU HB2 H 1.71 0.02 2 409 39 39 GLU HB3 H 1.68 0.02 2 410 39 39 GLU HG2 H 2.25 0.02 2 411 39 39 GLU HG3 H 2.12 0.02 2 412 39 39 GLU C C 174.78 0.1 1 413 39 39 GLU CA C 53.76 0.1 1 414 39 39 GLU CB C 30.17 0.1 1 415 39 39 GLU N N 122.80 0.1 1 416 40 40 GLY H H 8.38 0.02 1 417 40 40 GLY HA2 H 3.92 0.02 2 418 40 40 GLY HA3 H 3.80 0.02 2 419 40 40 GLY C C 171.00 0.1 1 420 40 40 GLY CA C 42.50 0.1 1 421 40 40 GLY N N 110.50 0.1 1 422 41 41 ASP H H 7.76 0.02 1 423 41 41 ASP HA H 4.18 0.02 1 424 41 41 ASP HB2 H 1.83 0.02 2 425 41 41 ASP HB3 H 1.99 0.02 2 426 41 41 ASP C C 173.50 0.1 1 427 41 41 ASP CA C 54.37 0.1 1 428 41 41 ASP CB C 37.05 0.1 1 429 41 41 ASP N N 124.67 0.1 1 430 42 42 GLY H H 7.70 0.02 1 431 42 42 GLY HA2 H 3.91 0.02 2 432 42 42 GLY HA3 H 3.73 0.02 2 433 42 42 GLY C C 173.00 0.1 1 434 42 42 GLY CA C 43.52 0.1 1 435 42 42 GLY N N 116.50 0.1 1 436 43 43 SER H H 7.98 0.02 1 437 43 43 SER HA H 3.91 0.02 1 438 43 43 SER HB2 H 3.42 0.02 2 439 43 43 SER HB3 H 3.59 0.02 2 440 43 43 SER C C 170.20 0.1 1 441 43 43 SER CA C 55.71 0.1 1 442 43 43 SER CB C 59.78 0.1 1 443 43 43 SER N N 114.74 0.1 1 444 44 44 PRO HA H 4.99 0.02 1 445 44 44 PRO HB2 H 2.07 0.02 1 446 44 44 PRO HB3 H 1.37 0.02 1 447 44 44 PRO HG2 H 2.00 0.02 1 448 44 44 PRO HG3 H 2.00 0.02 1 449 44 44 PRO HD2 H 4.16 0.02 1 450 44 44 PRO HD3 H 4.16 0.02 1 451 44 44 PRO C C 172.19 0.1 1 452 44 44 PRO CA C 58.91 0.1 1 453 44 44 PRO CB C 32.30 0.1 1 454 44 44 PRO CG C 22.24 0.1 1 455 44 44 PRO CD C 48.67 0.1 1 456 45 45 CYS H H 8.05 0.02 1 457 45 45 CYS HA H 4.83 0.02 1 458 45 45 CYS HB2 H 3.18 0.02 2 459 45 45 CYS HB3 H 3.03 0.02 2 460 45 45 CYS C C 169.21 0.1 1 461 45 45 CYS CA C 51.31 0.1 1 462 45 45 CYS CB C 41.26 0.1 1 463 45 45 CYS N N 115.31 0.1 1 464 46 46 LYS H H 8.96 0.02 1 465 46 46 LYS HA H 4.39 0.02 1 466 46 46 LYS HB2 H 1.69 0.02 1 467 46 46 LYS HB3 H 1.71 0.02 1 468 46 46 LYS HG2 H 1.32 0.02 1 469 46 46 LYS HG3 H 1.32 0.02 1 470 46 46 LYS HD2 H 1.55 0.02 1 471 46 46 LYS HD3 H 1.55 0.02 1 472 46 46 LYS HE2 H 2.86 0.02 1 473 46 46 LYS HE3 H 2.86 0.02 1 474 46 46 LYS C C 172.61 0.1 1 475 46 46 LYS CA C 53.59 0.1 1 476 46 46 LYS CB C 31.38 0.1 1 477 46 46 LYS CG C 22.41 0.1 1 478 46 46 LYS N N 120.11 0.1 1 479 47 47 ILE H H 8.13 0.02 1 480 47 47 ILE HA H 3.62 0.02 1 481 47 47 ILE HB H 1.40 0.02 1 482 47 47 ILE HG12 H 1.36 0.02 1 483 47 47 ILE HG13 H 1.36 0.02 1 484 47 47 ILE HG2 H 0.73 0.02 1 485 47 47 ILE HD1 H 0.52 0.02 1 486 47 47 ILE C C 170.70 0.1 1 487 47 47 ILE CA C 58.26 0.1 1 488 47 47 ILE CB C 36.92 0.1 1 489 47 47 ILE N N 126.58 0.1 1 490 48 48 PRO HA H 4.283 0.02 1 491 48 48 PRO HB2 H 2.12 0.02 2 492 48 48 PRO HB3 H 1.763 0.02 2 493 48 48 PRO HG2 H 1.767 0.02 1 494 48 48 PRO HG3 H 1.767 0.02 1 495 48 48 PRO HD2 H 3.966 0.02 1 496 48 48 PRO HD3 H 3.966 0.02 1 497 48 48 PRO C C 174.33 0.1 1 498 48 48 PRO CA C 60.40 0.1 1 499 48 48 PRO CB C 29.42 0.1 1 500 48 48 PRO CG C 29.46 0.1 1 501 48 48 PRO CD C 53.67 0.1 1 502 49 49 PHE H H 8.09 0.02 1 503 49 49 PHE HA H 3.993 0.02 1 504 49 49 PHE C C 174.03 0.1 1 505 49 49 PHE CA C 58.61 0.1 1 506 49 49 PHE CB C 35.65 0.1 1 507 49 49 PHE N N 120.80 0.1 1 508 50 50 GLU H H 8.16 0.02 1 509 50 50 GLU HA H 4.282 0.02 1 510 50 50 GLU HB2 H 1.928 0.02 2 511 50 50 GLU HB3 H 1.878 0.02 2 512 50 50 GLU HG2 H 2.129 0.02 1 513 50 50 GLU HG3 H 2.129 0.02 1 514 50 50 GLU C C 173.90 0.1 1 515 50 50 GLU CA C 59.55 0.1 1 516 50 50 GLU CB C 30.09 0.1 1 517 50 50 GLU N N 125.13 0.1 1 518 51 51 ILE HA H 4.12 0.02 1 519 51 51 ILE HB H 1.886 0.02 1 520 51 51 ILE HG12 H 1.005 0.02 1 521 51 51 ILE HG13 H 1.005 0.02 1 522 51 51 ILE HG2 H 0.801 0.02 1 523 51 51 ILE HD1 H 0.741 0.02 1 524 51 51 ILE C C 174.20 0.1 1 525 51 51 ILE CA C 53.91 0.1 1 526 51 51 ILE CB C 39.77 0.1 1 527 52 52 MET H H 8.23 0.02 1 528 52 52 MET HA H 4.241 0.02 1 529 52 52 MET HB2 H 1.903 0.02 1 530 52 52 MET HB3 H 1.903 0.02 1 531 52 52 MET HG2 H 1.972 0.02 1 532 52 52 MET HG3 H 1.972 0.02 1 533 52 52 MET HE H 1.709 0.02 1 534 52 52 MET C C 173.80 0.1 1 535 52 52 MET CA C 52.49 0.1 1 536 52 52 MET CB C 30.14 0.1 1 537 52 52 MET CE C 21.83 0.1 1 538 52 52 MET N N 123.20 0.1 1 539 53 53 ASP H H 8.38 0.02 1 540 53 53 ASP HA H 4.622 0.02 1 541 53 53 ASP HB2 H 2.68 0.02 2 542 53 53 ASP HB3 H 2.589 0.02 2 543 53 53 ASP C C 172.70 0.1 1 544 53 53 ASP CA C 50.29 0.1 1 545 53 53 ASP CB C 36.34 0.1 1 546 53 53 ASP N N 122.40 0.1 1 547 54 54 LEU H H 8.11 0.02 1 548 54 54 LEU HA H 4.018 0.02 1 549 54 54 LEU HB2 H 1.73 0.02 1 550 54 54 LEU HB3 H 1.73 0.02 1 551 54 54 LEU HG H 1.062 0.02 1 552 54 54 LEU HD1 H 0.7848 0.02 2 553 54 54 LEU HD2 H 0.7458 0.02 2 554 54 54 LEU C C 173.90 0.1 1 555 54 54 LEU CA C 58.52 0.1 1 556 54 54 LEU CB C 39.74 0.1 1 557 54 54 LEU CG C 27.76 0.1 1 558 54 54 LEU CD1 C 24.29 0.1 1 559 54 54 LEU CD2 C 24.29 0.1 1 560 54 54 LEU N N 121.69 0.1 1 561 55 55 GLU H H 8.33 0.02 1 562 55 55 GLU HA H 4.140 0.02 1 563 55 55 GLU HB2 H 1.907 0.02 2 564 55 55 GLU HB3 H 1.793 0.02 2 565 55 55 GLU HG2 H 2.148 0.02 2 566 55 55 GLU HG3 H 2.059 0.02 2 567 55 55 GLU C C 173.60 0.1 1 568 55 55 GLU CA C 53.74 0.1 1 569 55 55 GLU CB C 27.50 0.1 1 570 55 55 GLU CG C 33.32 0.1 1 571 55 55 GLU N N 124.51 0.1 1 572 56 56 LYS HA H 4.223 0.02 1 573 56 56 LYS HB2 H 1.92 0.02 1 574 56 56 LYS HB3 H 1.92 0.02 1 575 56 56 LYS HG2 H 1.35 0.02 1 576 56 56 LYS HG3 H 1.35 0.02 1 577 56 56 LYS HD2 H 1.72 0.02 1 578 56 56 LYS HD3 H 1.72 0.02 1 579 56 56 LYS HE2 H 2.90 0.02 2 580 56 56 LYS HE3 H 2.93 0.02 2 581 56 56 LYS C C 175.40 0.1 1 582 56 56 LYS CA C 56.77 0.1 1 583 56 56 LYS CB C 36.21 0.1 1 584 57 57 ARG H H 8.24 0.02 1 585 57 57 ARG HA H 4.247 0.02 1 586 57 57 ARG HB2 H 1.722 0.02 1 587 57 57 ARG HB3 H 1.722 0.02 1 588 57 57 ARG HG2 H 1.478 0.02 2 589 57 57 ARG HG3 H 1.53 0.02 2 590 57 57 ARG HD2 H 3.07 0.02 1 591 57 57 ARG HD3 H 3.07 0.02 1 592 57 57 ARG C C 175.10 0.1 1 593 57 57 ARG CA C 52.40 0.1 1 594 57 57 ARG CB C 39.53 0.1 1 595 57 57 ARG N N 121.86 0.1 1 596 58 58 HIS H H 8.34 0.02 1 597 58 58 HIS HA H 4.167 0.02 1 598 58 58 HIS HB2 H 2.86 0.02 1 599 58 58 HIS HB3 H 2.86 0.02 1 600 58 58 HIS C C 174.20 0.1 1 601 58 58 HIS CA C 53.44 0.1 1 602 58 58 HIS CB C 28.38 0.1 1 603 58 58 HIS N N 122.67 0.1 1 604 59 59 VAL HA H 4.247 0.02 1 605 59 59 VAL HB H 1.857 0.02 1 606 59 59 VAL HG1 H 0.85 0.02 2 607 59 59 VAL HG2 H 0.85 0.02 2 608 59 59 VAL C C 174.50 0.1 1 609 59 59 VAL CA C 60.27 0.1 1 610 59 59 VAL CB C 28.17 0.1 1 611 59 59 VAL CG1 C 22.01 0.1 1 612 59 59 VAL CG2 C 22.01 0.1 1 613 60 60 LEU H H 7.938 0.02 1 614 60 60 LEU HA H 3.79 0.02 1 615 60 60 LEU HB2 H 1.373 0.02 1 616 60 60 LEU HB3 H 1.373 0.02 1 617 60 60 LEU HG H 1.05 0.02 1 618 60 60 LEU HD1 H 0.84 0.02 2 619 60 60 LEU HD2 H 0.84 0.02 2 620 60 60 LEU C C 173.60 0.1 1 621 60 60 LEU CA C 53.12 0.1 1 622 60 60 LEU CB C 39.78 0.1 1 623 60 60 LEU N N 121.9 0.1 1 624 61 61 GLY HA2 H 4.11 0.02 2 625 61 61 GLY HA3 H 3.64 0.02 2 626 61 61 GLY C C 170.49 0.1 1 627 61 61 GLY CA C 42.10 0.1 1 628 62 62 ARG H H 7.90 0.02 1 629 62 62 ARG HA H 4.67 0.02 1 630 62 62 ARG HB2 H 1.58 0.02 2 631 62 62 ARG HB3 H 1.77 0.02 2 632 62 62 ARG HG2 H 1.16 0.02 1 633 62 62 ARG HG3 H 1.16 0.02 1 634 62 62 ARG HD2 H 3.15 0.02 1 635 62 62 ARG HD3 H 3.15 0.02 1 636 62 62 ARG C C 172.63 0.1 1 637 62 62 ARG CA C 52.20 0.1 1 638 62 62 ARG CB C 30.65 0.1 1 639 62 62 ARG CG C 24.31 0.1 1 640 62 62 ARG CD C 40.56 0.1 1 641 62 62 ARG N N 115.95 0.1 1 642 63 63 LEU H H 8.75 0.02 1 643 63 63 LEU HA H 3.99 0.02 1 644 63 63 LEU HB2 H 1.48 0.02 1 645 63 63 LEU HB3 H 1.48 0.02 1 646 63 63 LEU HG H 1.47 0.02 1 647 63 63 LEU HD1 H 0.79 0.02 1 648 63 63 LEU HD2 H 0.73 0.02 1 649 63 63 LEU C C 173.56 0.1 1 650 63 63 LEU CA C 53.10 0.1 1 651 63 63 LEU CB C 39.79 0.1 1 652 63 63 LEU CG C 30.39 0.1 1 653 63 63 LEU CD1 C 21.71 0.1 1 654 63 63 LEU CD2 C 21.71 0.1 1 655 63 63 LEU N N 125.29 0.1 1 656 64 64 ILE H H 8.26 0.02 1 657 64 64 ILE HA H 3.90 0.02 1 658 64 64 ILE HB H 1.34 0.02 1 659 64 64 ILE HG12 H 1.15 0.02 2 660 64 64 ILE HG13 H 1.09 0.02 2 661 64 64 ILE HG2 H 0.66 0.02 1 662 64 64 ILE HD1 H 0.55 0.02 1 663 64 64 ILE C C 175.20 0.1 1 664 64 64 ILE CA C 58.55 0.1 1 665 64 64 ILE CB C 34.38 0.1 1 666 64 64 ILE CG1 C 23.67 0.1 1 667 64 64 ILE CG2 C 14.46 0.1 1 668 64 64 ILE CD1 C 8.06 0.1 1 669 64 64 ILE N N 124.37 0.1 1 670 65 65 THR H H 7.39 0.02 1 671 65 65 THR HA H 3.96 0.02 1 672 65 65 THR HB H 3.73 0.02 1 673 65 65 THR HG1 H 3.96 0.02 1 674 65 65 THR HG2 H 1.07 0.02 1 675 65 65 THR C C 171.29 0.1 1 676 65 65 THR CA C 59.65 0.1 1 677 65 65 THR CB C 66.94 0.1 1 678 65 65 THR CG2 C 19.16 0.1 1 679 65 65 THR N N 115.86 0.1 1 680 66 66 VAL H H 7.82 0.02 1 681 66 66 VAL HA H 3.56 0.02 1 682 66 66 VAL HB H 1.85 0.02 1 683 66 66 VAL HG1 H 0.80 0.02 2 684 66 66 VAL HG2 H 0.85 0.02 2 685 66 66 VAL C C 173.57 0.1 1 686 66 66 VAL CA C 60.85 0.1 1 687 66 66 VAL CB C 29.27 0.1 1 688 66 66 VAL N N 124.42 0.1 1 689 67 67 ASN H H 8.66 0.02 1 690 67 67 ASN HA H 4.49 0.02 1 691 67 67 ASN HB2 H 2.72 0.02 2 692 67 67 ASN HB3 H 2.50 0.02 2 693 67 67 ASN C C 168.74 0.1 1 694 67 67 ASN CA C 49.95 0.1 1 695 67 67 ASN CB C 36.15 0.1 1 696 67 67 ASN N N 119.28 0.1 1 697 68 68 PRO HA H 4.26 0.02 1 698 68 68 PRO HB2 H 2.19 0.02 2 699 68 68 PRO HB3 H 1.97 0.02 2 700 68 68 PRO HG2 H 2.10 0.02 2 701 68 68 PRO HG3 H 2.09 0.02 2 702 68 68 PRO HD2 H 4.02 0.02 2 703 68 68 PRO HD3 H 3.61 0.02 2 704 68 68 PRO C C 173.67 0.1 1 705 68 68 PRO CA C 60.25 0.1 1 706 68 68 PRO CB C 28.20 0.1 1 707 68 68 PRO CG C 28.20 0.1 1 708 68 68 PRO CD C 50.22 0.1 1 709 69 69 ILE H H 7.92 0.02 1 710 69 69 ILE HA H 4.63 0.02 1 711 69 69 ILE HB H 1.36 0.02 1 712 69 69 ILE HG12 H 1.05 0.02 1 713 69 69 ILE HG13 H 1.05 0.02 1 714 69 69 ILE HG2 H 0.83 0.02 1 715 69 69 ILE HD1 H 0.40 0.02 1 716 69 69 ILE C C 173.00 0.1 1 717 69 69 ILE CA C 56.33 0.1 1 718 69 69 ILE CB C 39.77 0.1 1 719 69 69 ILE CG2 C 14.20 0.1 1 720 69 69 ILE CD1 C 14.20 0.1 1 721 69 69 ILE N N 121.94 0.1 1 722 70 70 VAL H H 8.49 0.02 1 723 70 70 VAL HA H 4.11 0.02 1 724 70 70 VAL HB H 1.86 0.02 1 725 70 70 VAL HG1 H 0.76 0.02 2 726 70 70 VAL HG2 H 0.81 0.02 2 727 70 70 VAL C C 173.27 0.1 1 728 70 70 VAL CA C 58.35 0.1 1 729 70 70 VAL CB C 30.57 0.1 1 730 70 70 VAL CG1 C 18.92 0.1 1 731 70 70 VAL CG2 C 18.92 0.1 1 732 70 70 VAL N N 121.45 0.1 1 733 71 71 THR H H 8.45 0.02 1 734 71 71 THR HA H 4.03 0.02 1 735 71 71 THR HB H 4.08 0.02 1 736 71 71 THR HG1 H 4.24 0.02 2 737 71 71 THR HG2 H 1.05 0.02 1 738 71 71 THR C C 172.48 0.1 1 739 71 71 THR CA C 60.63 0.1 1 740 71 71 THR CB C 66.27 0.1 1 741 71 71 THR CG2 C 19.53 0.1 1 742 71 71 THR N N 118.06 0.1 1 743 72 72 GLU H H 7.97 0.02 1 744 72 72 GLU HA H 4.43 0.02 1 745 72 72 GLU HB2 H 2.00 0.02 2 746 72 72 GLU HB3 H 1.81 0.02 2 747 72 72 GLU HG2 H 2.10 0.02 1 748 72 72 GLU HG3 H 2.10 0.02 1 749 72 72 GLU C C 173.64 0.1 1 750 72 72 GLU CA C 52.52 0.1 1 751 72 72 GLU CB C 29.57 0.1 1 752 72 72 GLU CG C 33.20 0.1 1 753 72 72 GLU N N 120.48 0.1 1 754 73 73 LYS H H 8.64 0.02 1 755 73 73 LYS HA H 3.85 0.02 1 756 73 73 LYS HB2 H 1.61 0.02 2 757 73 73 LYS HB3 H 1.57 0.02 2 758 73 73 LYS HG2 H 1.24 0.02 2 759 73 73 LYS HG3 H 1.29 0.02 2 760 73 73 LYS HD2 H 1.53 0.02 2 761 73 73 LYS HD3 H 1.49 0.02 2 762 73 73 LYS HE2 H 2.71 0.02 1 763 73 73 LYS HE3 H 2.71 0.02 1 764 73 73 LYS C C 174.67 0.1 1 765 73 73 LYS CA C 56.77 0.1 1 766 73 73 LYS CB C 29.82 0.1 1 767 73 73 LYS CE C 34.81 0.1 1 768 73 73 LYS N N 123.77 0.1 1 769 74 74 ASP H H 8.44 0.02 1 770 74 74 ASP HA H 4.36 0.02 1 771 74 74 ASP HB2 H 2.71 0.02 2 772 74 74 ASP HB3 H 2.54 0.02 2 773 74 74 ASP C C 173.94 0.1 1 774 74 74 ASP CA C 52.71 0.1 1 775 74 74 ASP CB C 37.55 0.1 1 776 74 74 ASP N N 114.72 0.1 1 777 75 75 SER H H 7.69 0.02 1 778 75 75 SER HA H 4.93 0.02 1 779 75 75 SER HB2 H 3.72 0.02 1 780 75 75 SER HB3 H 3.72 0.02 1 781 75 75 SER C C 170.39 0.1 1 782 75 75 SER CB C 61.48 0.1 1 783 75 75 SER N N 114.72 0.1 1 784 76 76 PRO HA H 4.78 0.02 1 785 76 76 PRO HB2 H 1.95 0.02 2 786 76 76 PRO HB3 H 1.48 0.02 2 787 76 76 PRO HG2 H 1.90 0.02 2 788 76 76 PRO HG3 H 1.91 0.02 2 789 76 76 PRO HD2 H 4.10 0.02 2 790 76 76 PRO HD3 H 3.91 0.02 2 791 76 76 PRO C C 173.19 0.1 1 792 76 76 PRO CA C 59.92 0.1 1 793 76 76 PRO CB C 30.51 0.1 1 794 76 76 PRO CG C 24.73 0.1 1 795 76 76 PRO CD C 48.86 0.1 1 796 77 77 VAL H H 9.08 0.02 1 797 77 77 VAL HA H 4.18 0.02 1 798 77 77 VAL HB H 1.67 0.02 1 799 77 77 VAL HG1 H 0.75 0.02 2 800 77 77 VAL HG2 H 0.95 0.02 2 801 77 77 VAL C C 172.07 0.1 1 802 77 77 VAL CA C 58.26 0.1 1 803 77 77 VAL CB C 33.09 0.1 1 804 77 77 VAL N N 120.20 0.1 1 805 78 78 ASN H H 8.43 0.02 1 806 78 78 ASN HA H 5.11 0.02 1 807 78 78 ASN HB2 H 2.57 0.02 2 808 78 78 ASN HB3 H 2.14 0.02 2 809 78 78 ASN C C 172.40 0.1 1 810 78 78 ASN CA C 49.49 0.1 1 811 78 78 ASN CB C 36.95 0.1 1 812 78 78 ASN N N 123.08 0.1 1 813 79 79 ILE H H 9.13 0.02 1 814 79 79 ILE HA H 3.96 0.02 1 815 79 79 ILE HB H 1.26 0.02 1 816 79 79 ILE HG12 H 0.80 0.02 1 817 79 79 ILE HG13 H 0.80 0.02 1 818 79 79 ILE HG2 H 0.75 0.02 1 819 79 79 ILE HD1 H 0.40 0.02 1 820 79 79 ILE C C 171.04 0.1 1 821 79 79 ILE CA C 58.03 0.1 1 822 79 79 ILE CB C 37.54 0.1 1 823 79 79 ILE CG1 C 24.66 0.1 1 824 79 79 ILE CG2 C 15.16 0.1 1 825 79 79 ILE CD1 C 11.83 0.1 1 826 79 79 ILE N N 123.54 0.1 1 827 80 80 GLU H H 8.82 0.02 1 828 80 80 GLU HA H 5.48 0.02 1 829 80 80 GLU HB2 H 1.67 0.02 2 830 80 80 GLU HB3 H 1.53 0.02 2 831 80 80 GLU HG2 H 2.09 0.02 2 832 80 80 GLU HG3 H 2.14 0.02 2 833 80 80 GLU C C 173.17 0.1 1 834 80 80 GLU CA C 50.84 0.1 1 835 80 80 GLU CB C 28.95 0.1 1 836 80 80 GLU CG C 33.29 0.1 1 837 80 80 GLU N N 127.28 0.1 1 838 81 81 ALA H H 8.94 0.02 1 839 81 81 ALA HA H 4.71 0.02 1 840 81 81 ALA HB H 1.07 0.02 1 841 81 81 ALA C C 171.11 0.1 1 842 81 81 ALA CA C 48.07 0.1 1 843 81 81 ALA CB C 21.43 0.1 1 844 81 81 ALA N N 127.62 0.1 1 845 82 82 GLU H H 9.32 0.02 1 846 82 82 GLU HA H 4.72 0.02 1 847 82 82 GLU HB2 H 1.48 0.02 2 848 82 82 GLU HB3 H 1.52 0.02 2 849 82 82 GLU HG2 H 2.16 0.02 2 850 82 82 GLU HG3 H 1.95 0.02 2 851 82 82 GLU C C 170.67 0.1 1 852 82 82 GLU CA C 49.84 0.1 1 853 82 82 GLU CB C 29.76 0.1 1 854 82 82 GLU N N 122.51 0.1 1 855 84 84 PRO HA H 4.325 0.02 1 856 84 84 PRO HB2 H 2.143 0.02 2 857 84 84 PRO HB3 H 1.705 0.02 2 858 84 84 PRO HG2 H 1.88 0.02 1 859 84 84 PRO HG3 H 1.88 0.02 1 860 84 84 PRO HD2 H 3.601 0.02 2 861 84 84 PRO HD3 H 3.67 0.02 2 862 84 84 PRO C C 174.50 0.1 1 863 84 84 PRO CA C 60.44 0.1 1 864 84 84 PRO CB C 29.33 0.1 1 865 84 84 PRO CG C 27.6 0.1 1 866 84 84 PRO CD C 53.78 0.1 1 867 85 85 PHE H H 8.09 0.02 1 868 85 85 PHE HA H 4.256 0.02 1 869 85 85 PHE HB2 H 2.973 0.02 2 870 85 85 PHE HB3 H 2.853 0.02 2 871 85 85 PHE C C 173.50 0.1 1 872 85 85 PHE CA C 53.98 0.1 1 873 85 85 PHE N N 119.63 0.1 1 874 86 86 GLY H H 8.30 0.02 1 875 86 86 GLY HA2 H 3.81 0.02 1 876 86 86 GLY HA3 H 3.81 0.02 1 877 86 86 GLY C C 171.50 0.1 1 878 86 86 GLY CA C 42.23 0.1 1 879 86 86 GLY N N 108.51 0.1 1 880 87 87 ASP H H 7.84 0.02 1 881 87 87 ASP HA H 4.02 0.02 1 882 87 87 ASP HB2 H 2.36 0.02 2 883 87 87 ASP HB3 H 2.20 0.02 2 884 87 87 ASP C C 173.70 0.1 1 885 87 87 ASP CA C 59.20 0.1 1 886 87 87 ASP CB C 30.27 0.1 1 887 87 87 ASP N N 118.88 0.1 1 888 88 88 SER H H 8.22 0.02 1 889 88 88 SER HA H 4.25 0.02 1 890 88 88 SER HB2 H 4.08 0.02 2 891 88 88 SER HB3 H 3.97 0.02 2 892 88 88 SER C C 171.40 0.1 1 893 88 88 SER CA C 59.12 0.1 1 894 88 88 SER CB C 67.15 0.1 1 895 88 88 SER N N 118.60 0.1 1 896 89 89 TYR H H 8.33 0.02 1 897 89 89 TYR HA H 4.20 0.02 1 898 89 89 TYR HB2 H 1.89 0.02 2 899 89 89 TYR HB3 H 2.35 0.02 2 900 89 89 TYR C C 173.10 0.1 1 901 89 89 TYR CA C 53.82 0.1 1 902 89 89 TYR CB C 36.26 0.1 1 903 89 89 TYR N N 124.16 0.1 1 904 90 90 ILE H H 8.24 0.02 1 905 90 90 ILE HB H 1.49 0.02 1 906 90 90 ILE HG12 H 1.15 0.02 2 907 90 90 ILE HG13 H 1.19 0.02 2 908 90 90 ILE HG2 H 0.97 0.02 1 909 90 90 ILE HD1 H 0.52 0.02 1 910 90 90 ILE C C 175.1 0.1 1 911 90 90 ILE CA C 56.81 0.1 1 912 90 90 ILE CB C 39.67 0.1 1 913 90 90 ILE N N 122.13 0.1 1 914 91 91 ILE H H 8.227 0.02 1 915 91 91 ILE HA H 4.84 0.02 1 916 91 91 ILE HB H 1.583 0.02 1 917 91 91 ILE HG12 H 1.122 0.02 1 918 91 91 ILE HG13 H 1.122 0.02 1 919 91 91 ILE HD1 H 0.5015 0.02 1 920 91 91 ILE C C 173.8 0.1 1 921 91 91 ILE CA C 56.16 0.1 1 922 91 91 ILE CB C 40.12 0.1 1 923 91 91 ILE CG1 C 23.98 0.1 1 924 91 91 ILE CG2 C 15.54 0.1 1 925 91 91 ILE CD1 C 15.55 0.1 1 926 91 91 ILE N N 122.3 0.1 1 927 92 92 ILE H H 8.46 0.02 1 928 92 92 ILE HA H 4.51 0.02 1 929 92 92 ILE HB H 1.42 0.02 1 930 92 92 ILE HG12 H 1.19 0.02 2 931 92 92 ILE HG13 H 1.16 0.02 2 932 92 92 ILE HG2 H 1.42 0.02 1 933 92 92 ILE HD1 H 0.54 0.02 1 934 92 92 ILE C C 172.98 0.1 1 935 92 92 ILE CA C 57.29 0.1 1 936 92 92 ILE CB C 38.04 0.1 1 937 92 92 ILE CG1 C 25.32 0.1 1 938 92 92 ILE CG2 C 14.14 0.1 1 939 92 92 ILE CD1 C 11.46 0.1 1 940 92 92 ILE N N 126.30 0.1 1 941 93 93 GLY H H 8.41 0.02 1 942 93 93 GLY HA2 H 4.98 0.02 2 943 93 93 GLY HA3 H 3.94 0.02 2 944 93 93 GLY C C 172.13 0.1 1 945 93 93 GLY CA C 41.04 0.1 1 946 93 93 GLY N N 112.00 0.1 1 947 94 94 VAL H H 8.35 0.02 1 948 94 94 VAL HA H 4.51 0.02 1 949 94 94 VAL HB H 2.24 0.02 1 950 94 94 VAL HG1 H 0.84 0.02 2 951 94 94 VAL HG2 H 0.84 0.02 2 952 94 94 VAL C C 173.92 0.1 1 953 94 94 VAL CA C 57.36 0.1 1 954 94 94 VAL CB C 31.69 0.1 1 955 94 94 VAL CG1 C 19.12 0.1 2 956 94 94 VAL CG2 C 15.53 0.1 2 957 94 94 VAL N N 113.10 0.1 1 958 95 95 GLU H H 8.45 0.02 1 959 95 95 GLU HA H 4.34 0.02 1 960 95 95 GLU HB2 H 1.66 0.02 2 961 95 95 GLU HB3 H 1.85 0.02 2 962 95 95 GLU HG2 H 2.15 0.02 1 963 95 95 GLU C C 173.46 0.1 1 964 95 95 GLU CA C 52.71 0.1 1 965 95 95 GLU CB C 26.40 0.1 1 966 95 95 GLU N N 119.62 0.1 1 967 96 96 PRO HA H 4.74 0.02 1 968 96 96 PRO HB2 H 2.03 0.02 2 969 96 96 PRO HB3 H 2.24 0.02 2 970 96 96 PRO HG2 H 2.13 0.02 2 971 96 96 PRO HG3 H 2.18 0.02 2 972 96 96 PRO HD2 H 4.12 0.02 2 973 96 96 PRO HD3 H 4.18 0.02 2 974 96 96 PRO C C 173.66 0.1 1 975 96 96 PRO CA C 59.77 0.1 1 976 96 96 PRO CB C 31.60 0.1 1 977 96 96 PRO CG C 25.65 0.1 1 978 96 96 PRO CD C 54.34 0.1 1 979 97 97 GLY H H 8.28 0.02 1 980 97 97 GLY HA2 H 3.88 0.02 2 981 97 97 GLY HA3 H 3.76 0.02 2 982 97 97 GLY C C 172.13 0.1 1 983 97 97 GLY CA C 43.24 0.1 1 984 97 97 GLY N N 108.05 0.1 1 985 98 98 GLN H H 7.30 0.02 1 986 98 98 GLN HA H 3.87 0.02 1 987 98 98 GLN HB2 H 1.25 0.02 2 988 98 98 GLN HB3 H 1.58 0.02 2 989 98 98 GLN HG2 H 1.85 0.02 2 990 98 98 GLN HG3 H 1.67 0.02 2 991 98 98 GLN C C 172.97 0.1 1 992 98 98 GLN CA C 54.28 0.1 1 993 98 98 GLN CB C 29.43 0.1 1 994 98 98 GLN CG C 31.83 0.1 1 995 98 98 GLN N N 120.74 0.1 1 996 99 99 LEU H H 8.92 0.02 1 997 99 99 LEU HA H 4.38 0.02 1 998 99 99 LEU HB2 H 1.39 0.02 2 999 99 99 LEU HB3 H 1.72 0.02 2 1000 99 99 LEU HG H 1.22 0.02 1 1001 99 99 LEU HD1 H 0.73 0.02 2 1002 99 99 LEU HD2 H 0.86 0.02 2 1003 99 99 LEU C C 171.11 0.1 1 1004 99 99 LEU CA C 51.70 0.1 1 1005 99 99 LEU CB C 40.35 0.1 1 1006 99 99 LEU CG C 27.93 0.1 1 1007 99 99 LEU CD1 C 20.60 0.1 1 1008 99 99 LEU CD2 C 20.60 0.1 1 1009 99 99 LEU N N 127.83 0.1 1 1010 100 100 LYS H H 8.22 0.02 1 1011 100 100 LYS HA H 4.77 0.02 1 1012 100 100 LYS HB2 H 1.45 0.02 2 1013 100 100 LYS HB3 H 1.48 0.02 2 1014 100 100 LYS HG2 H 0.94 0.02 2 1015 100 100 LYS HG3 H 0.97 0.02 2 1016 100 100 LYS HD2 H 1.20 0.02 2 1017 100 100 LYS HD3 H 1.15 0.02 2 1018 100 100 LYS HE2 H 2.81 0.02 1 1019 100 100 LYS HE3 H 2.81 0.02 1 1020 100 100 LYS C C 172.84 0.1 1 1021 100 100 LYS CA C 52.43 0.1 1 1022 100 100 LYS CB C 30.55 0.1 1 1023 100 100 LYS CG C 21.86 0.1 1 1024 100 100 LYS CD C 26.19 0.1 1 1025 100 100 LYS CE C 39.04 0.1 1 1026 100 100 LYS N N 122.70 0.1 1 1027 101 101 LEU H H 9.24 0.02 1 1028 101 101 LEU HA H 4.73 0.02 1 1029 101 101 LEU HB2 H 2.12 0.02 2 1030 101 101 LEU HB3 H 1.70 0.02 2 1031 101 101 LEU HG H 1.32 0.02 1 1032 101 101 LEU HD1 H 0.85 0.02 2 1033 101 101 LEU HD2 H 0.81 0.02 2 1034 101 101 LEU C C 173.60 0.1 1 1035 101 101 LEU CA C 50.85 0.1 1 1036 101 101 LEU CB C 40.89 0.1 1 1037 101 101 LEU N N 125.70 0.1 1 1038 102 102 ASN H H 7.85 0.02 1 1039 102 102 ASN HA H 4.282 0.02 1 1040 102 102 ASN HB2 H 2.848 0.02 2 1041 102 102 ASN HB3 H 2.807 0.02 2 1042 102 102 ASN C C 177.12 0.1 1 1043 102 102 ASN CA C 51.81 0.1 1 1044 102 102 ASN CB C 37.61 0.1 1 1045 102 102 ASN N N 123.77 0.1 1 1046 103 103 TRP H H 8.77 0.02 1 1047 103 103 TRP HA H 4.65 0.02 1 1048 103 103 TRP HB2 H 2.90 0.02 2 1049 103 103 TRP HB3 H 3.03 0.02 2 1050 103 103 TRP HE1 H 10.21 0.02 1 1051 103 103 TRP HE3 H 7.94 0.02 1 1052 103 103 TRP HZ2 H 7.27 0.02 1 1053 103 103 TRP HZ3 H 6.92 0.02 1 1054 103 103 TRP C C 172.00 0.1 1 1055 103 103 TRP CA C 53.96 0.1 1 1056 103 103 TRP CB C 30.16 0.1 1 1057 103 103 TRP N N 122.93 0.1 1 1058 103 103 TRP NE1 N 128.80 0.1 1 1059 104 104 PHE H H 7.83 0.02 9 1060 104 104 PHE HA H 4.261 0.02 9 1061 104 104 PHE HB2 H 2.855 0.02 9 1062 104 104 PHE HB3 H 2.979 0.02 9 1063 104 104 PHE C C 177.24 0.1 9 1064 104 104 PHE CA C 54.94 0.1 9 1065 104 104 PHE CB C 39.94 0.1 9 1066 104 104 PHE N N 125.49 0.1 9 1067 105 105 LYS H H 7.82 0.02 1 1068 105 105 LYS HA H 4.032 0.02 1 1069 105 105 LYS HB2 H 1.558 0.02 1 1070 105 105 LYS HB3 H 1.558 0.02 1 1071 105 105 LYS HG2 H 0.7847 0.02 2 1072 105 105 LYS HG3 H 0.736 0.02 2 1073 105 105 LYS HD2 H 1.262 0.02 1 1074 105 105 LYS HD3 H 1.262 0.02 1 1075 105 105 LYS HE2 H 2.848 0.02 1 1076 105 105 LYS HE3 H 2.848 0.02 1 1077 105 105 LYS CA C 55.00 0.1 1 1078 105 105 LYS CB C 31.15 0.1 1 1079 105 105 LYS N N 126.76 0.1 1 1080 106 106 LYS HA H 3.61 0.02 1 1081 106 106 LYS HB2 H 1.78 0.02 1 1082 106 106 LYS HB3 H 1.78 0.02 1 1083 106 106 LYS HG2 H 0.85 0.02 2 1084 106 106 LYS HG3 H 0.79 0.02 2 1085 106 106 LYS HD2 H 1.38 0.02 1 1086 106 106 LYS HD3 H 1.38 0.02 1 1087 106 106 LYS HE2 H 2.23 0.02 1 1088 106 106 LYS HE3 H 2.23 0.02 1 1089 106 106 LYS C C 174.50 0.1 1 1090 106 106 LYS CA C 58.25 0.1 1 1091 106 106 LYS CB C 36.59 0.1 1 1092 106 106 LYS CD C 28.59 0.1 1 1093 107 107 GLY H H 8.81 0.02 1 1094 107 107 GLY HA2 H 3.96 0.02 2 1095 107 107 GLY HA3 H 3.78 0.02 2 1096 107 107 GLY C C 171.50 0.1 1 1097 107 107 GLY CA C 42.06 0.1 1 1098 107 107 GLY N N 110.50 0.1 1 1099 108 108 SER H H 7.92 0.02 1 1100 108 108 SER HA H 4.07 0.02 1 1101 108 108 SER HB2 H 3.58 0.02 2 1102 108 108 SER HB3 H 3.61 0.02 2 1103 108 108 SER C C 171.80 0.1 1 1104 108 108 SER CA C 54.98 0.1 1 1105 108 108 SER CB C 61.62 0.1 1 1106 108 108 SER N N 114.00 0.1 1 1107 109 109 SER H H 8.23 0.02 1 1108 109 109 SER HA H 4.23 0.02 1 1109 109 109 SER HB2 H 3.72 0.02 2 1110 109 109 SER HB3 H 3.71 0.02 2 1111 109 109 SER C C 172.16 0.1 1 1112 109 109 SER CA C 55.70 0.1 1 1113 109 109 SER CB C 61.11 0.1 1 1114 109 109 SER N N 117.30 0.1 1 1115 110 110 LEU H H 8.20 0.02 1 1116 110 110 LEU HA H 4.24 0.02 1 1117 110 110 LEU HB2 H 1.50 0.02 1 1118 110 110 LEU HB3 H 1.50 0.02 1 1119 110 110 LEU HG H 1.46 0.02 1 1120 110 110 LEU HD1 H 0.79 0.02 2 1121 110 110 LEU HD2 H 0.73 0.02 2 1122 110 110 LEU C C 174.24 0.1 1 1123 110 110 LEU CA C 52.61 0.1 1 1124 110 110 LEU CB C 39.63 0.1 1 1125 110 110 LEU CG C 27.93 0.1 1 1126 110 110 LEU CD1 C 24.28 0.1 1 1127 110 110 LEU CD2 C 22.03 0.1 1 1128 110 110 LEU N N 123.99 0.1 1 1129 111 111 GLU H H 7.71 0.02 1 1130 111 111 GLU HA H 3.95 0.02 1 1131 111 111 GLU HB2 H 1.74 0.02 2 1132 111 111 GLU HB3 H 1.90 0.02 2 1133 111 111 GLU HG2 H 2.04 0.02 1 1134 111 111 GLU C C 178.77 0.1 1 1135 111 111 GLU CA C 55.36 0.1 1 1136 111 111 GLU CB C 28.56 0.1 1 1137 111 111 GLU N N 125.58 0.1 1 stop_ save_