data_27518 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; chemical shifts assignments of Nb26 against aflatoxin B1 ; _BMRB_accession_number 27518 _BMRB_flat_file_name bmr27518.str _Entry_type original _Submission_date 2018-06-12 _Accession_date 2018-06-12 _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 Nie Yao . . 2 He Ting . . 3 Zhu Jiang . . 4 Yang Yunhuang . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 623 "13C chemical shifts" 482 "15N chemical shifts" 127 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2019-04-11 update BMRB 'update entry citation' 2018-07-19 original author 'original release' stop_ _Original_release_date 2018-06-12 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Chemical shift assignments of a camelid nanobody against aflatoxin B ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 30328057 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Nie Yao . . 2 Li Shuangli . . 3 Zhu Jiang . . 4 Hu Rui . . 5 Liu Maili . . 6 He Ting . . 7 Yang Yunhuang . . stop_ _Journal_abbreviation 'Biomol NMR Assign' _Journal_name_full 'Biomolecular NMR assignments' _Journal_volume 13 _Journal_issue 1 _Journal_ISSN 1874-270X _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 75 _Page_last 78 _Year 2019 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name Nb26 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label Nb26 $Nb26 stop_ _System_molecular_weight 14508.1 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_Nb26 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Nb26 _Molecular_mass . _Mol_thiol_state 'all disulfide bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 131 _Mol_residue_sequence ; MQLQLVESGGGLVQAGGSLR LSCAASGRTFSSYAMGWFRQ APGKEREFVAVVNWSGRRTY YADSVKGRFTISRDNAKNTV YLQMNSLKPEDTAVYNCAAG KWDGSYYGAPDYWGQGTQVT VSSLEHHHHHH ; loop_ _Residue_seq_code _Residue_label 1 MET 2 GLN 3 LEU 4 GLN 5 LEU 6 VAL 7 GLU 8 SER 9 GLY 10 GLY 11 GLY 12 LEU 13 VAL 14 GLN 15 ALA 16 GLY 17 GLY 18 SER 19 LEU 20 ARG 21 LEU 22 SER 23 CYS 24 ALA 25 ALA 26 SER 27 GLY 28 ARG 29 THR 30 PHE 31 SER 32 SER 33 TYR 34 ALA 35 MET 36 GLY 37 TRP 38 PHE 39 ARG 40 GLN 41 ALA 42 PRO 43 GLY 44 LYS 45 GLU 46 ARG 47 GLU 48 PHE 49 VAL 50 ALA 51 VAL 52 VAL 53 ASN 54 TRP 55 SER 56 GLY 57 ARG 58 ARG 59 THR 60 TYR 61 TYR 62 ALA 63 ASP 64 SER 65 VAL 66 LYS 67 GLY 68 ARG 69 PHE 70 THR 71 ILE 72 SER 73 ARG 74 ASP 75 ASN 76 ALA 77 LYS 78 ASN 79 THR 80 VAL 81 TYR 82 LEU 83 GLN 84 MET 85 ASN 86 SER 87 LEU 88 LYS 89 PRO 90 GLU 91 ASP 92 THR 93 ALA 94 VAL 95 TYR 96 ASN 97 CYS 98 ALA 99 ALA 100 GLY 101 LYS 102 TRP 103 ASP 104 GLY 105 SER 106 TYR 107 TYR 108 GLY 109 ALA 110 PRO 111 ASP 112 TYR 113 TRP 114 GLY 115 GLN 116 GLY 117 THR 118 GLN 119 VAL 120 THR 121 VAL 122 SER 123 SER 124 LEU 125 GLU 126 HIS 127 HIS 128 HIS 129 HIS 130 HIS 131 HIS 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 $Nb26 Alpaca 30538 Eukaryota Metazoa Vicugna pacos 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 $Nb26 'recombinant technology' . Escherichia coli . pET32m 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 $Nb26 0.75 mM '[U-99% 13C; U-99% 15N]' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Nb26 0.45 mM '[U-99% 13C; U-99% 15N]' stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Saveframe_category software _Name SPARKY _Version 3.115 loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 850 _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_3D_HNCO_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCACB_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_2 save_ save_3D_HCCH-COSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-COSY' _Sample_label $sample_2 save_ save_3D_1H-15N_NOESY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_2 save_ save_3D_1H-13C_NOESY_aliphatic_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_2 save_ save_3D_1H-13C_NOESY_aromatic_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _Sample_label $sample_2 save_ save_2D_1H-13C_HSQC_aliphatic_13 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_aromatic_14 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aromatic' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details 20mMMes,100mMNaCl,0.02%NaN3,10%CH3OH loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.1 . M pH 7.0 . 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 glucose C 13 'methyl carbons' ppm 0 na indirect . . . 0.2515 water H 1 protons ppm 0 na indirect . . . 1 '[15N] ammonium chloride' N 15 nitrogen ppm 0 na indirect . . . 0.1014 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' '3D HNCO' '3D HNCA' '3D HN(CO)CA' '3D CBCA(CO)NH' '3D HNCACB' '3D HBHA(CO)NH' '3D HCCH-TOCSY' '3D HCCH-COSY' '3D 1H-15N NOESY' '3D 1H-13C NOESY aliphatic' '3D 1H-13C NOESY aromatic' '2D 1H-13C HSQC aliphatic' '2D 1H-13C HSQC aromatic' stop_ loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name Nb26 _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 2 2 GLN HA H 4.12 0.02 1 2 2 2 GLN HB2 H 1.97 0.02 1 3 2 2 GLN HB3 H 1.91 0.02 1 4 2 2 GLN HG2 H 2.34 0.02 1 5 2 2 GLN HG3 H 2.34 0.02 1 6 2 2 GLN HE21 H 7.59 0.02 1 7 2 2 GLN HE22 H 6.93 0.02 1 8 2 2 GLN C C 175 0.2 1 9 2 2 GLN CA C 56.3 0.2 1 10 2 2 GLN CB C 29.7 0.2 1 11 2 2 GLN CG C 33.8 0.2 1 12 2 2 GLN NE2 N 112.1 0.2 1 13 3 3 LEU H H 6 0.02 1 14 3 3 LEU HA H 4.51 0.02 1 15 3 3 LEU HB2 H 0.62 0.02 1 16 3 3 LEU HB3 H 0.62 0.02 1 17 3 3 LEU HG H 1.01 0.02 1 18 3 3 LEU HD1 H 0.4 0.02 1 19 3 3 LEU HD2 H 0.5 0.02 1 20 3 3 LEU C C 174.7 0.2 1 21 3 3 LEU CA C 54 0.2 1 22 3 3 LEU CB C 43.7 0.2 1 23 3 3 LEU CG C 26.7 0.2 1 24 3 3 LEU CD1 C 25.3 0.2 1 25 3 3 LEU CD2 C 25 0.2 1 26 3 3 LEU N N 120.8 0.2 1 27 4 4 GLN H H 8.14 0.02 1 28 4 4 GLN HA H 4.4 0.02 1 29 4 4 GLN HB2 H 1.97 0.02 1 30 4 4 GLN HB3 H 1.85 0.02 1 31 4 4 GLN HG2 H 2.22 0.02 1 32 4 4 GLN HG3 H 2.22 0.02 1 33 4 4 GLN HE21 H 7.39 0.02 1 34 4 4 GLN HE22 H 6.78 0.02 1 35 4 4 GLN C C 174.4 0.2 1 36 4 4 GLN CA C 55 0.2 1 37 4 4 GLN CB C 30.9 0.2 1 38 4 4 GLN CG C 34 0.2 1 39 4 4 GLN N N 122 0.2 1 40 4 4 GLN NE2 N 111.3 0.2 1 41 5 5 LEU H H 8.57 0.02 1 42 5 5 LEU HA H 4.7 0.02 1 43 5 5 LEU HB2 H 1.33 0.02 1 44 5 5 LEU HB3 H 0.96 0.02 1 45 5 5 LEU HG H 1.22 0.02 1 46 5 5 LEU HD2 H 0.58 0.02 1 47 5 5 LEU C C 175.4 0.2 1 48 5 5 LEU CA C 54.1 0.2 1 49 5 5 LEU CB C 44 0.2 1 50 5 5 LEU CG C 27.3 0.2 1 51 5 5 LEU CD1 C 25.6 0.2 1 52 5 5 LEU CD2 C 24.5 0.2 1 53 5 5 LEU N N 125.4 0.2 1 54 6 6 VAL H H 8.24 0.02 1 55 6 6 VAL HA H 4.35 0.02 1 56 6 6 VAL HB H 2.06 0.02 1 57 6 6 VAL HG1 H 1 0.02 1 58 6 6 VAL HG2 H 0.99 0.02 1 59 6 6 VAL C C 175.7 0.2 1 60 6 6 VAL CA C 62.5 0.2 1 61 6 6 VAL CB C 35 0.2 1 62 6 6 VAL CG1 C 20.9 0.2 1 63 6 6 VAL CG2 C 20.9 0.2 1 64 6 6 VAL N N 121.4 0.2 1 65 7 7 GLU H H 10.32 0.02 1 66 7 7 GLU HA H 5.38 0.02 1 67 7 7 GLU HB2 H 2.22 0.02 1 68 7 7 GLU HB3 H 2.22 0.02 1 69 7 7 GLU HG2 H 2.7 0.02 1 70 7 7 GLU HG3 H 2.7 0.02 1 71 7 7 GLU C C 176.3 0.2 1 72 7 7 GLU CA C 57.1 0.2 1 73 7 7 GLU CB C 30.8 0.2 1 74 7 7 GLU CG C 37.5 0.2 1 75 7 7 GLU N N 132.4 0.2 1 76 8 8 SER H H 9.57 0.02 1 77 8 8 SER HA H 4.8 0.02 1 78 8 8 SER HB2 H 3.9 0.02 1 79 8 8 SER HB3 H 3.9 0.02 1 80 8 8 SER C C 173.1 0.2 1 81 8 8 SER CA C 58.1 0.2 1 82 8 8 SER CB C 66 0.2 1 83 8 8 SER N N 114.9 0.2 1 84 9 9 GLY H H 8.59 0.02 1 85 9 9 GLY HA2 H 4.66 0.02 1 86 9 9 GLY HA3 H 3.73 0.02 1 87 9 9 GLY C C 174.4 0.2 1 88 9 9 GLY CA C 44.9 0.2 1 89 9 9 GLY N N 106.9 0.2 1 90 10 10 GLY H H 7.71 0.02 1 91 10 10 GLY HA2 H 4.02 0.02 1 92 10 10 GLY HA3 H 3.56 0.02 1 93 10 10 GLY C C 172.9 0.2 1 94 10 10 GLY CA C 45.6 0.2 1 95 10 10 GLY N N 105.8 0.2 1 96 11 11 GLY H H 7.44 0.02 1 97 11 11 GLY HA2 H 4.16 0.02 1 98 11 11 GLY HA3 H 3.91 0.02 1 99 11 11 GLY C C 170.4 0.2 1 100 11 11 GLY CA C 44.9 0.2 1 101 11 11 GLY N N 107.1 0.2 1 102 12 12 LEU H H 8.1 0.02 1 103 12 12 LEU HA H 5.28 0.02 1 104 12 12 LEU HB2 H 1.65 0.02 1 105 12 12 LEU HB3 H 1.47 0.02 1 106 12 12 LEU HG H 1.42 0.02 1 107 12 12 LEU HD1 H 0.84 0.02 1 108 12 12 LEU HD2 H 0.84 0.02 1 109 12 12 LEU C C 176.4 0.2 1 110 12 12 LEU CA C 54.1 0.2 1 111 12 12 LEU CB C 43.4 0.2 1 112 12 12 LEU CG C 27.7 0.2 1 113 12 12 LEU CD1 C 25.2 0.2 1 114 12 12 LEU CD2 C 24.6 0.2 1 115 12 12 LEU N N 122.7 0.2 1 116 13 13 VAL H H 9 0.02 1 117 13 13 VAL HA H 4.48 0.02 1 118 13 13 VAL HB H 1.9 0.02 1 119 13 13 VAL HG1 H 0.32 0.02 1 120 13 13 VAL HG2 H 0.32 0.02 1 121 13 13 VAL C C 173 0.2 1 122 13 13 VAL CA C 59.5 0.2 1 123 13 13 VAL CB C 35.7 0.2 1 124 13 13 VAL CG1 C 21.2 0.2 1 125 13 13 VAL CG2 C 21.2 0.2 1 126 13 13 VAL N N 124.5 0.2 1 127 14 14 GLN H H 8.28 0.02 1 128 14 14 GLN HA H 4.54 0.02 1 129 14 14 GLN HB2 H 2 0.02 1 130 14 14 GLN HB3 H 1.93 0.02 1 131 14 14 GLN HG2 H 2.38 0.02 1 132 14 14 GLN HG3 H 2.38 0.02 1 133 14 14 GLN HE21 H 7.51 0.02 1 134 14 14 GLN HE22 H 6.82 0.02 1 135 14 14 GLN C C 175.7 0.2 1 136 14 14 GLN CA C 55.2 0.2 1 137 14 14 GLN CB C 30 0.2 1 138 14 14 GLN CG C 34.1 0.2 1 139 14 14 GLN N N 123.2 0.2 1 140 14 14 GLN NE2 N 111.7 0.2 1 141 15 15 ALA H H 8.1 0.02 1 142 15 15 ALA HA H 3.62 0.02 1 143 15 15 ALA HB H 1.35 0.02 1 144 15 15 ALA C C 177.8 0.2 1 145 15 15 ALA CA C 53.9 0.2 1 146 15 15 ALA CB C 17.9 0.2 1 147 15 15 ALA N N 124.2 0.2 1 148 16 16 GLY H H 9.65 0.02 1 149 16 16 GLY HA2 H 4.41 0.02 1 150 16 16 GLY HA3 H 3.55 0.02 1 151 16 16 GLY C C 175.4 0.2 1 152 16 16 GLY CA C 44.9 0.2 1 153 16 16 GLY N N 112.6 0.2 1 154 17 17 GLY H H 8.47 0.02 1 155 17 17 GLY HA2 H 4.3 0.02 1 156 17 17 GLY HA3 H 3.75 0.02 1 157 17 17 GLY C C 170.5 0.2 1 158 17 17 GLY CA C 44.5 0.2 1 159 17 17 GLY N N 109.2 0.2 1 160 18 18 SER H H 7.85 0.02 1 161 18 18 SER HA H 5.55 0.02 1 162 18 18 SER HB2 H 3.78 0.02 1 163 18 18 SER HB3 H 3.65 0.02 1 164 18 18 SER C C 172.7 0.2 1 165 18 18 SER CA C 56.5 0.2 1 166 18 18 SER CB C 67.3 0.2 1 167 18 18 SER N N 109.8 0.2 1 168 19 19 LEU H H 8.59 0.02 1 169 19 19 LEU HA H 4.34 0.02 1 170 19 19 LEU HB2 H 1.27 0.02 1 171 19 19 LEU HB3 H 1.27 0.02 1 172 19 19 LEU HG H 1.24 0.02 1 173 19 19 LEU HD1 H 0.72 0.02 1 174 19 19 LEU HD2 H 0.72 0.02 1 175 19 19 LEU C C 173.2 0.2 1 176 19 19 LEU CA C 54.6 0.2 1 177 19 19 LEU CB C 47.8 0.2 1 178 19 19 LEU CG C 26.9 0.2 1 179 19 19 LEU CD1 C 25.4 0.2 1 180 19 19 LEU CD2 C 24.8 0.2 1 181 19 19 LEU N N 121.9 0.2 1 182 20 20 ARG H H 8.18 0.02 1 183 20 20 ARG HA H 4.91 0.02 1 184 20 20 ARG HB2 H 1.62 0.02 1 185 20 20 ARG HB3 H 1.31 0.02 1 186 20 20 ARG HG2 H 1.53 0.02 1 187 20 20 ARG HG3 H 1.46 0.02 1 188 20 20 ARG HD2 H 2.83 0.02 1 189 20 20 ARG HD3 H 2.83 0.02 1 190 20 20 ARG C C 175.6 0.2 1 191 20 20 ARG CA C 54.4 0.2 1 192 20 20 ARG CB C 32.8 0.2 1 193 20 20 ARG CG C 27.1 0.2 1 194 20 20 ARG CD C 43.4 0.2 1 195 20 20 ARG N N 123.3 0.2 1 196 21 21 LEU H H 8.7 0.02 1 197 21 21 LEU HA H 4.81 0.02 1 198 21 21 LEU HB2 H 1.16 0.02 1 199 21 21 LEU HB3 H 0.9 0.02 1 200 21 21 LEU HG H 1.22 0.02 1 201 21 21 LEU HD1 H 0.3 0.02 1 202 21 21 LEU HD2 H 0.3 0.02 1 203 21 21 LEU C C 176.7 0.2 1 204 21 21 LEU CA C 53.2 0.2 1 205 21 21 LEU CB C 43.3 0.2 1 206 21 21 LEU CG C 26.2 0.2 1 207 21 21 LEU CD1 C 21.3 0.2 1 208 21 21 LEU CD2 C 21.3 0.2 1 209 21 21 LEU N N 126.9 0.2 1 210 22 22 SER H H 8.72 0.02 1 211 22 22 SER HA H 5.63 0.02 1 212 22 22 SER HB2 H 3.76 0.02 1 213 22 22 SER HB3 H 3.63 0.02 1 214 22 22 SER C C 173.2 0.2 1 215 22 22 SER CA C 56.8 0.2 1 216 22 22 SER CB C 67 0.2 1 217 22 22 SER N N 113.4 0.2 1 218 23 23 CYS H H 9.23 0.02 1 219 23 23 CYS HA H 5.14 0.02 1 220 23 23 CYS HB2 H 2.68 0.02 1 221 23 23 CYS HB3 H 2.48 0.02 1 222 23 23 CYS C C 172.2 0.2 1 223 23 23 CYS CA C 57.5 0.2 1 224 23 23 CYS CB C 29.4 0.2 1 225 23 23 CYS N N 121.6 0.2 1 226 24 24 ALA H H 8.35 0.02 1 227 24 24 ALA HA H 4.91 0.02 1 228 24 24 ALA HB H 1.34 0.02 1 229 24 24 ALA C C 176.2 0.2 1 230 24 24 ALA CA C 50.7 0.2 1 231 24 24 ALA CB C 20.8 0.2 1 232 24 24 ALA N N 132 0.2 1 233 25 25 ALA H H 8.43 0.02 1 234 25 25 ALA HA H 5.47 0.02 1 235 25 25 ALA HB H 1.06 0.02 1 236 25 25 ALA C C 177 0.2 1 237 25 25 ALA CA C 49.6 0.2 1 238 25 25 ALA CB C 23.3 0.2 1 239 25 25 ALA N N 125.4 0.2 1 240 26 26 SER H H 8.74 0.02 1 241 26 26 SER C C 173.8 0.2 1 242 26 26 SER CA C 57.7 0.2 1 243 26 26 SER CB C 64.6 0.2 1 244 26 26 SER N N 117 0.2 1 245 27 27 GLY H H 8.45 0.02 1 246 27 27 GLY CA C 44.7 0.2 1 247 27 27 GLY N N 112.1 0.2 1 248 29 29 THR HA H 4.52 0.02 1 249 29 29 THR C C 175 0.2 1 250 29 29 THR CA C 61.8 0.2 1 251 29 29 THR CB C 68.7 0.2 1 252 30 30 PHE H H 7.74 0.02 1 253 30 30 PHE HA H 4.03 0.02 1 254 30 30 PHE HB2 H 3.1 0.02 1 255 30 30 PHE HB3 H 3.1 0.02 1 256 30 30 PHE C C 176.2 0.2 1 257 30 30 PHE CA C 62.3 0.2 1 258 30 30 PHE CB C 40.2 0.2 1 259 30 30 PHE N N 123 0.2 1 260 31 31 SER H H 8.51 0.02 1 261 31 31 SER HA H 4.12 0.02 1 262 31 31 SER HB2 H 4.07 0.02 1 263 31 31 SER HB3 H 4.07 0.02 1 264 31 31 SER C C 173.1 0.2 1 265 31 31 SER CA C 60.3 0.2 1 266 31 31 SER CB C 63.1 0.2 1 267 31 31 SER N N 109.7 0.2 1 268 32 32 SER H H 8 0.02 1 269 32 32 SER HA H 4.39 0.02 1 270 32 32 SER HB2 H 3.66 0.02 1 271 32 32 SER HB3 H 3.57 0.02 1 272 32 32 SER C C 174 0.2 1 273 32 32 SER CA C 58.8 0.2 1 274 32 32 SER CB C 63.9 0.2 1 275 32 32 SER N N 113.4 0.2 1 276 33 33 TYR H H 7.64 0.02 1 277 33 33 TYR HA H 4.64 0.02 1 278 33 33 TYR HB2 H 3.33 0.02 1 279 33 33 TYR HB3 H 2.57 0.02 1 280 33 33 TYR HD1 H 7.01 0.02 1 281 33 33 TYR HD2 H 7.01 0.02 1 282 33 33 TYR HE1 H 6.8 0.02 1 283 33 33 TYR HE2 H 6.8 0.02 1 284 33 33 TYR C C 176.9 0.2 1 285 33 33 TYR CA C 58.7 0.2 1 286 33 33 TYR CB C 41.4 0.2 1 287 33 33 TYR CD1 C 133.6 0.2 1 288 33 33 TYR CD2 C 133.6 0.2 1 289 33 33 TYR CE1 C 118 0.2 1 290 33 33 TYR CE2 C 118 0.2 1 291 33 33 TYR N N 119.7 0.2 1 292 34 34 ALA H H 8.84 0.02 1 293 34 34 ALA HA H 4.41 0.02 1 294 34 34 ALA HB H 1.78 0.02 1 295 34 34 ALA C C 175.8 0.2 1 296 34 34 ALA CA C 52.9 0.2 1 297 34 34 ALA CB C 20.9 0.2 1 298 34 34 ALA N N 125.3 0.2 1 299 35 35 MET H H 8.32 0.02 1 300 35 35 MET HA H 5.75 0.02 1 301 35 35 MET HB2 H 1.65 0.02 1 302 35 35 MET HB3 H 1.65 0.02 1 303 35 35 MET HG2 H 2.29 0.02 1 304 35 35 MET HG3 H 2.29 0.02 1 305 35 35 MET C C 174.6 0.2 1 306 35 35 MET CA C 52.3 0.2 1 307 35 35 MET CB C 35.1 0.2 1 308 35 35 MET N N 118.2 0.2 1 309 36 36 GLY H H 9.44 0.02 1 310 36 36 GLY HA2 H 5.31 0.02 1 311 36 36 GLY HA3 H 3.56 0.02 1 312 36 36 GLY C C 171.3 0.2 1 313 36 36 GLY CA C 44.3 0.2 1 314 36 36 GLY N N 109.6 0.2 1 315 37 37 TRP H H 9.21 0.02 1 316 37 37 TRP HA H 5.74 0.02 1 317 37 37 TRP HB2 H 3.12 0.02 1 318 37 37 TRP HB3 H 2.65 0.02 1 319 37 37 TRP HD1 H 6.94 0.02 1 320 37 37 TRP HE1 H 7.61 0.02 1 321 37 37 TRP HE3 H 7.16 0.02 1 322 37 37 TRP HZ2 H 6.85 0.02 1 323 37 37 TRP HZ3 H 6.86 0.02 1 324 37 37 TRP HH2 H 6.95 0.02 1 325 37 37 TRP C C 174.4 0.2 1 326 37 37 TRP CA C 55.8 0.2 1 327 37 37 TRP CB C 32.3 0.2 1 328 37 37 TRP CD1 C 125.7 0.2 1 329 37 37 TRP CE3 C 120.5 0.2 1 330 37 37 TRP CZ2 C 113.8 0.2 1 331 37 37 TRP CZ3 C 122.7 0.2 1 332 37 37 TRP CH2 C 125.1 0.2 1 333 37 37 TRP N N 117.7 0.2 1 334 37 37 TRP NE1 N 121.9 0.2 1 335 38 38 PHE H H 9.84 0.02 1 336 38 38 PHE HA H 5.16 0.02 1 337 38 38 PHE HB2 H 3.09 0.02 1 338 38 38 PHE HB3 H 2.85 0.02 1 339 38 38 PHE HD1 H 7.08 0.02 1 340 38 38 PHE HD2 H 7.08 0.02 1 341 38 38 PHE HE1 H 7.35 0.02 1 342 38 38 PHE HE2 H 7.35 0.02 1 343 38 38 PHE C C 173.9 0.2 1 344 38 38 PHE CA C 56.1 0.2 1 345 38 38 PHE CB C 43.7 0.2 1 346 38 38 PHE CD1 C 132.4 0.2 1 347 38 38 PHE CD2 C 132.4 0.2 1 348 38 38 PHE CE1 C 131.7 0.2 1 349 38 38 PHE CE2 C 131.7 0.2 1 350 38 38 PHE N N 121.9 0.2 1 351 39 39 ARG H H 9.5 0.02 1 352 39 39 ARG HA H 5.69 0.02 1 353 39 39 ARG HB2 H 0.65 0.02 1 354 39 39 ARG HB3 H 0.65 0.02 1 355 39 39 ARG HG2 H 1.29 0.02 1 356 39 39 ARG HG3 H 1.29 0.02 1 357 39 39 ARG HD2 H 2.58 0.02 1 358 39 39 ARG HD3 H 2.58 0.02 1 359 39 39 ARG HE H 7.44 0.02 1 360 39 39 ARG C C 173.4 0.2 1 361 39 39 ARG CA C 53.4 0.2 1 362 39 39 ARG CB C 32.3 0.2 1 363 39 39 ARG CG C 24.5 0.2 1 364 39 39 ARG CD C 45.1 0.2 1 365 39 39 ARG N N 115.9 0.2 1 366 39 39 ARG NE N 83.8 0.2 1 367 40 40 GLN H H 8.74 0.02 1 368 40 40 GLN HA H 4.78 0.02 1 369 40 40 GLN HB2 H 2 0.02 1 370 40 40 GLN HB3 H 1.59 0.02 1 371 40 40 GLN HG2 H 2 0.02 1 372 40 40 GLN HG3 H 2 0.02 1 373 40 40 GLN HE21 H 7.71 0.02 1 374 40 40 GLN HE22 H 6.71 0.02 1 375 40 40 GLN C C 174.3 0.2 1 376 40 40 GLN CA C 55 0.2 1 377 40 40 GLN CB C 31.6 0.2 1 378 40 40 GLN CG C 33.4 0.2 1 379 40 40 GLN N N 120.7 0.2 1 380 40 40 GLN NE2 N 111.4 0.2 1 381 41 41 ALA H H 9.46 0.02 1 382 41 41 ALA HA H 4.83 0.02 1 383 41 41 ALA HB H 1.43 0.02 1 384 41 41 ALA C C 174.4 0.2 1 385 41 41 ALA CA C 49.7 0.2 1 386 41 41 ALA CB C 18.6 0.2 1 387 41 41 ALA N N 108.2 0.2 1 388 42 42 PRO HA H 4.3 0.02 1 389 42 42 PRO HB2 H 2.26 0.02 1 390 42 42 PRO HB3 H 2.26 0.02 1 391 42 42 PRO HG2 H 2.13 0.02 1 392 42 42 PRO HG3 H 2 0.02 1 393 42 42 PRO HD2 H 3.82 0.02 1 394 42 42 PRO HD3 H 3.64 0.02 1 395 42 42 PRO C C 178.2 0.2 1 396 42 42 PRO CA C 64.1 0.2 1 397 42 42 PRO CB C 31.6 0.2 1 398 42 42 PRO CG C 27.9 0.2 1 399 42 42 PRO CD C 50.3 0.2 1 400 43 43 GLY H H 8.71 0.02 1 401 43 43 GLY HA2 H 4.09 0.02 1 402 43 43 GLY HA3 H 3.72 0.02 1 403 43 43 GLY C C 173.7 0.2 1 404 43 43 GLY CA C 45.8 0.2 1 405 43 43 GLY N N 112.3 0.2 1 406 44 44 LYS H H 7.89 0.02 1 407 44 44 LYS HA H 4.76 0.02 1 408 44 44 LYS HB2 H 2.01 0.02 1 409 44 44 LYS HB3 H 1.9 0.02 1 410 44 44 LYS HG2 H 1.41 0.02 1 411 44 44 LYS HG3 H 1.41 0.02 1 412 44 44 LYS HD2 H 1.67 0.02 1 413 44 44 LYS HD3 H 1.67 0.02 1 414 44 44 LYS HE2 H 3 0.02 1 415 44 44 LYS HE3 H 3 0.02 1 416 44 44 LYS C C 175.9 0.2 1 417 44 44 LYS CA C 54.3 0.2 1 418 44 44 LYS CB C 35.5 0.2 1 419 44 44 LYS CG C 24.9 0.2 1 420 44 44 LYS CD C 28.9 0.2 1 421 44 44 LYS CE C 42.2 0.2 1 422 44 44 LYS N N 119.7 0.2 1 423 45 45 GLU H H 8.33 0.02 1 424 45 45 GLU HA H 4.33 0.02 1 425 45 45 GLU HB2 H 2.11 0.02 1 426 45 45 GLU HB3 H 1.93 0.02 1 427 45 45 GLU HG2 H 2.4 0.02 1 428 45 45 GLU HG3 H 2.33 0.02 1 429 45 45 GLU C C 176.9 0.2 1 430 45 45 GLU CA C 55.7 0.2 1 431 45 45 GLU CB C 30.7 0.2 1 432 45 45 GLU CG C 36.4 0.2 1 433 45 45 GLU N N 118.8 0.2 1 434 46 46 ARG H H 8.73 0.02 1 435 46 46 ARG HA H 4.36 0.02 1 436 46 46 ARG HB2 H 1.67 0.02 1 437 46 46 ARG HB3 H 1.67 0.02 1 438 46 46 ARG HG2 H 1.56 0.02 1 439 46 46 ARG HG3 H 1.56 0.02 1 440 46 46 ARG HD2 H 2.82 0.02 1 441 46 46 ARG HD3 H 2.82 0.02 1 442 46 46 ARG C C 175.5 0.2 1 443 46 46 ARG CA C 57.4 0.2 1 444 46 46 ARG CB C 30.7 0.2 1 445 46 46 ARG CG C 27.5 0.2 1 446 46 46 ARG CD C 43.5 0.2 1 447 46 46 ARG N N 123.3 0.2 1 448 47 47 GLU H H 9.61 0.02 1 449 47 47 GLU HA H 5.01 0.02 1 450 47 47 GLU HB2 H 2.04 0.02 1 451 47 47 GLU HB3 H 2.04 0.02 1 452 47 47 GLU HG2 H 2.32 0.02 1 453 47 47 GLU HG3 H 2.25 0.02 1 454 47 47 GLU C C 175.3 0.2 1 455 47 47 GLU CA C 54.1 0.2 1 456 47 47 GLU CB C 33.7 0.2 1 457 47 47 GLU CG C 35.7 0.2 1 458 47 47 GLU N N 125.2 0.2 1 459 48 48 PHE H H 8.85 0.02 1 460 48 48 PHE HA H 3.87 0.02 1 461 48 48 PHE HB2 H 3.03 0.02 1 462 48 48 PHE HB3 H 2.73 0.02 1 463 48 48 PHE HD1 H 6.61 0.02 1 464 48 48 PHE HD2 H 6.61 0.02 1 465 48 48 PHE HE1 H 6.58 0.02 1 466 48 48 PHE HE2 H 6.58 0.02 1 467 48 48 PHE C C 173.9 0.2 1 468 48 48 PHE CA C 58.9 0.2 1 469 48 48 PHE CB C 39.5 0.2 1 470 48 48 PHE CD1 C 131.4 0.2 1 471 48 48 PHE CD2 C 131.4 0.2 1 472 48 48 PHE CE1 C 130.8 0.2 1 473 48 48 PHE CE2 C 130.8 0.2 1 474 48 48 PHE N N 125.4 0.2 1 475 49 49 VAL H H 7.58 0.02 1 476 49 49 VAL HA H 3.84 0.02 1 477 49 49 VAL HB H 1.82 0.02 1 478 49 49 VAL HG1 H 0.98 0.02 1 479 49 49 VAL HG2 H 0.8 0.02 1 480 49 49 VAL C C 172.7 0.2 1 481 49 49 VAL CA C 63.7 0.2 1 482 49 49 VAL CB C 33.4 0.2 1 483 49 49 VAL CG1 C 22.8 0.2 1 484 49 49 VAL CG2 C 21.1 0.2 1 485 49 49 VAL N N 123.6 0.2 1 486 50 50 ALA H H 6.97 0.02 1 487 50 50 ALA HA H 4.79 0.02 1 488 50 50 ALA HB H 1.17 0.02 1 489 50 50 ALA C C 174.4 0.2 1 490 50 50 ALA CA C 51.5 0.2 1 491 50 50 ALA CB C 23.5 0.2 1 492 50 50 ALA N N 116.4 0.2 1 493 51 51 VAL H H 8.68 0.02 1 494 51 51 VAL HA H 5.14 0.02 1 495 51 51 VAL HB H 1.65 0.02 1 496 51 51 VAL HG1 H 0.32 0.02 1 497 51 51 VAL HG2 H 0.09 0.02 1 498 51 51 VAL C C 170.6 0.2 1 499 51 51 VAL CA C 60 0.2 1 500 51 51 VAL CB C 35.4 0.2 1 501 51 51 VAL CG1 C 21.2 0.2 1 502 51 51 VAL CG2 C 19.6 0.2 1 503 51 51 VAL N N 118.4 0.2 1 504 52 52 VAL H H 8.87 0.02 1 505 52 52 VAL HA H 5.44 0.02 1 506 52 52 VAL HB H 1.97 0.02 1 507 52 52 VAL HG1 H 1.3 0.02 1 508 52 52 VAL HG2 H 1.12 0.02 1 509 52 52 VAL C C 172.9 0.2 1 510 52 52 VAL CA C 57.6 0.2 1 511 52 52 VAL CB C 35.2 0.2 1 512 52 52 VAL CG1 C 22.5 0.2 1 513 52 52 VAL CG2 C 19.9 0.2 1 514 52 52 VAL N N 124.3 0.2 1 515 53 53 ASN H H 8.72 0.02 1 516 53 53 ASN HA H 4.86 0.02 1 517 53 53 ASN HB2 H 3.57 0.02 1 518 53 53 ASN HB3 H 2.86 0.02 1 519 53 53 ASN C C 176.9 0.2 1 520 53 53 ASN CA C 52.8 0.2 1 521 53 53 ASN CB C 38.9 0.2 1 522 53 53 ASN N N 125.8 0.2 1 523 54 54 TRP H H 9.07 0.02 1 524 54 54 TRP HA H 3.96 0.02 1 525 54 54 TRP HB2 H 3.85 0.02 1 526 54 54 TRP HB3 H 2.71 0.02 1 527 54 54 TRP HE1 H 10.22 0.02 1 528 54 54 TRP HZ2 H 7.51 0.02 1 529 54 54 TRP HH2 H 7.22 0.02 1 530 54 54 TRP C C 174.8 0.2 1 531 54 54 TRP CA C 59.8 0.2 1 532 54 54 TRP CB C 26.7 0.2 1 533 54 54 TRP CD1 C 127.8 0.2 1 534 54 54 TRP CZ2 C 114.8 0.2 1 535 54 54 TRP CH2 C 125 0.2 1 536 54 54 TRP N N 121.4 0.2 1 537 54 54 TRP NE1 N 129.7 0.2 1 538 55 55 SER H H 5.28 0.02 1 539 55 55 SER HA H 3.51 0.02 1 540 55 55 SER HB2 H 3.26 0.02 1 541 55 55 SER HB3 H 1.12 0.02 1 542 55 55 SER C C 176 0.2 1 543 55 55 SER CA C 57.7 0.2 1 544 55 55 SER CB C 63.5 0.2 1 545 55 55 SER N N 109.8 0.2 1 546 56 56 GLY H H 7.48 0.02 1 547 56 56 GLY HA2 H 4.36 0.02 1 548 56 56 GLY HA3 H 3.46 0.02 1 549 56 56 GLY C C 173.3 0.2 1 550 56 56 GLY CA C 44.8 0.2 1 551 56 56 GLY N N 109.7 0.2 1 552 57 57 ARG H H 7.56 0.02 1 553 57 57 ARG HA H 4.2 0.02 1 554 57 57 ARG HB2 H 1.88 0.02 1 555 57 57 ARG HB3 H 1.48 0.02 1 556 57 57 ARG HG2 H 1.53 0.02 1 557 57 57 ARG HG3 H 1.46 0.02 1 558 57 57 ARG HD2 H 3.09 0.02 1 559 57 57 ARG HD3 H 3.09 0.02 1 560 57 57 ARG C C 175.7 0.2 1 561 57 57 ARG CA C 57.2 0.2 1 562 57 57 ARG CB C 31.7 0.2 1 563 57 57 ARG CG C 27.6 0.2 1 564 57 57 ARG CD C 42.9 0.2 1 565 57 57 ARG N N 118 0.2 1 566 58 58 ARG H H 7.78 0.02 1 567 58 58 ARG HA H 4.83 0.02 1 568 58 58 ARG HB2 H 1.62 0.02 1 569 58 58 ARG HB3 H 1.31 0.02 1 570 58 58 ARG HG2 H 1.46 0.02 1 571 58 58 ARG HG3 H 1.46 0.02 1 572 58 58 ARG HD2 H 2.84 0.02 1 573 58 58 ARG HD3 H 2.84 0.02 1 574 58 58 ARG C C 174.4 0.2 1 575 58 58 ARG CA C 54.8 0.2 1 576 58 58 ARG CB C 32.9 0.2 1 577 58 58 ARG CG C 27.1 0.2 1 578 58 58 ARG CD C 43.3 0.2 1 579 58 58 ARG N N 118.3 0.2 1 580 59 59 THR H H 8.27 0.02 1 581 59 59 THR HA H 4.78 0.02 1 582 59 59 THR HB H 3.8 0.02 1 583 59 59 THR HG2 H 1.16 0.02 1 584 59 59 THR C C 173.6 0.2 1 585 59 59 THR CA C 58.9 0.2 1 586 59 59 THR CB C 73.5 0.2 1 587 59 59 THR CG2 C 22.9 0.2 1 588 59 59 THR N N 112.7 0.2 1 589 60 60 TYR H H 8.1 0.02 1 590 60 60 TYR HA H 4.76 0.02 1 591 60 60 TYR HB2 H 2.47 0.02 1 592 60 60 TYR HB3 H 2.47 0.02 1 593 60 60 TYR HD1 H 6.94 0.02 1 594 60 60 TYR HD2 H 6.94 0.02 1 595 60 60 TYR HE1 H 6.66 0.02 1 596 60 60 TYR HE2 H 6.66 0.02 1 597 60 60 TYR C C 172.7 0.2 1 598 60 60 TYR CA C 58 0.2 1 599 60 60 TYR CB C 41.8 0.2 1 600 60 60 TYR CD1 C 133.3 0.2 1 601 60 60 TYR CD2 C 133.3 0.2 1 602 60 60 TYR CE1 C 118.4 0.2 1 603 60 60 TYR CE2 C 118.4 0.2 1 604 60 60 TYR N N 119.9 0.2 1 605 61 61 TYR H H 7.91 0.02 1 606 61 61 TYR HA H 4.73 0.02 1 607 61 61 TYR HB2 H 2.86 0.02 1 608 61 61 TYR HB3 H 2.39 0.02 1 609 61 61 TYR HD1 H 6.99 0.02 1 610 61 61 TYR HD2 H 6.99 0.02 1 611 61 61 TYR HE1 H 6.67 0.02 1 612 61 61 TYR HE2 H 6.67 0.02 1 613 61 61 TYR C C 174.4 0.2 1 614 61 61 TYR CA C 57 0.2 1 615 61 61 TYR CB C 42.7 0.2 1 616 61 61 TYR CD1 C 133.2 0.2 1 617 61 61 TYR CD2 C 133.2 0.2 1 618 61 61 TYR CE1 C 117.9 0.2 1 619 61 61 TYR CE2 C 117.9 0.2 1 620 61 61 TYR N N 121.8 0.2 1 621 62 62 ALA H H 7.94 0.02 1 622 62 62 ALA HA H 4.34 0.02 1 623 62 62 ALA HB H 1.5 0.02 1 624 62 62 ALA C C 179.1 0.2 1 625 62 62 ALA CA C 52 0.2 1 626 62 62 ALA CB C 19.6 0.2 1 627 62 62 ALA N N 123.3 0.2 1 628 63 63 ASP H H 8.94 0.02 1 629 63 63 ASP HA H 4.25 0.02 1 630 63 63 ASP HB2 H 2.67 0.02 1 631 63 63 ASP HB3 H 2.37 0.02 1 632 63 63 ASP C C 178.3 0.2 1 633 63 63 ASP CA C 58 0.2 1 634 63 63 ASP CB C 40.5 0.2 1 635 63 63 ASP N N 122.6 0.2 1 636 64 64 SER HA H 4.14 0.02 1 637 64 64 SER HB2 H 3.86 0.02 1 638 64 64 SER HB3 H 3.77 0.02 1 639 64 64 SER C C 175.7 0.2 1 640 64 64 SER CA C 59.8 0.2 1 641 64 64 SER CB C 62.8 0.2 1 642 65 65 VAL H H 7.2 0.02 1 643 65 65 VAL HA H 4.06 0.02 1 644 65 65 VAL HB H 1.03 0.02 1 645 65 65 VAL HG1 H 0.19 0.02 1 646 65 65 VAL HG2 H 0.84 0.02 1 647 65 65 VAL C C 175.1 0.2 1 648 65 65 VAL CA C 60.4 0.2 1 649 65 65 VAL CB C 31.8 0.2 1 650 65 65 VAL CG1 C 20.4 0.2 1 651 65 65 VAL CG2 C 19.2 0.2 1 652 65 65 VAL N N 111.4 0.2 1 653 66 66 LYS H H 7.29 0.02 1 654 66 66 LYS HA H 3.62 0.02 1 655 66 66 LYS HB2 H 1.76 0.02 1 656 66 66 LYS HB3 H 1.76 0.02 1 657 66 66 LYS HG2 H 1.37 0.02 1 658 66 66 LYS HG3 H 1.37 0.02 1 659 66 66 LYS HD2 H 1.74 0.02 1 660 66 66 LYS HD3 H 1.74 0.02 1 661 66 66 LYS HE2 H 3.01 0.02 1 662 66 66 LYS HE3 H 3.01 0.02 1 663 66 66 LYS C C 177.2 0.2 1 664 66 66 LYS CA C 58.4 0.2 1 665 66 66 LYS CB C 32.5 0.2 1 666 66 66 LYS CG C 24.9 0.2 1 667 66 66 LYS CD C 29.7 0.2 1 668 66 66 LYS CE C 42.2 0.2 1 669 66 66 LYS N N 125.5 0.2 1 670 67 67 GLY H H 9.13 0.02 1 671 67 67 GLY HA2 H 4.25 0.02 1 672 67 67 GLY HA3 H 3.5 0.02 1 673 67 67 GLY C C 173.9 0.2 1 674 67 67 GLY CA C 45.3 0.2 1 675 67 67 GLY N N 115.9 0.2 1 676 68 68 ARG H H 7.7 0.02 1 677 68 68 ARG HA H 4.57 0.02 1 678 68 68 ARG HB2 H 2.11 0.02 1 679 68 68 ARG HB3 H 1.63 0.02 1 680 68 68 ARG HG2 H 1.45 0.02 1 681 68 68 ARG HG3 H 1.35 0.02 1 682 68 68 ARG HD2 H 3.26 0.02 1 683 68 68 ARG HD3 H 3.26 0.02 1 684 68 68 ARG HE H 6.75 0.02 1 685 68 68 ARG C C 175.5 0.2 1 686 68 68 ARG CA C 57.3 0.2 1 687 68 68 ARG CB C 31 0.2 1 688 68 68 ARG CG C 28.5 0.2 1 689 68 68 ARG CD C 43.3 0.2 1 690 68 68 ARG N N 116.9 0.2 1 691 68 68 ARG NE N 81.7 0.2 1 692 69 69 PHE H H 7.48 0.02 1 693 69 69 PHE HA H 6.06 0.02 1 694 69 69 PHE HB2 H 2.84 0.02 1 695 69 69 PHE HB3 H 2.84 0.02 1 696 69 69 PHE HD1 H 6.95 0.02 1 697 69 69 PHE HD2 H 6.95 0.02 1 698 69 69 PHE HE1 H 7.24 0.02 1 699 69 69 PHE HE2 H 7.24 0.02 1 700 69 69 PHE HZ H 7.04 0.02 1 701 69 69 PHE C C 174.6 0.2 1 702 69 69 PHE CA C 52.5 0.2 1 703 69 69 PHE CB C 39.6 0.2 1 704 69 69 PHE CD1 C 129.1 0.2 1 705 69 69 PHE CD2 C 129.1 0.2 1 706 69 69 PHE CE1 C 131.9 0.2 1 707 69 69 PHE CE2 C 131.9 0.2 1 708 69 69 PHE CZ C 130.4 0.2 1 709 69 69 PHE N N 119.5 0.2 1 710 70 70 THR H H 8.87 0.02 1 711 70 70 THR HA H 5.08 0.02 1 712 70 70 THR HB H 3.82 0.02 1 713 70 70 THR HG2 H 1.15 0.02 1 714 70 70 THR C C 173.9 0.2 1 715 70 70 THR CA C 61.2 0.2 1 716 70 70 THR CB C 72.1 0.2 1 717 70 70 THR CG2 C 21.7 0.2 1 718 70 70 THR N N 112.4 0.2 1 719 71 71 ILE H H 9.39 0.02 1 720 71 71 ILE HA H 5.5 0.02 1 721 71 71 ILE HB H 1.51 0.02 1 722 71 71 ILE HG12 H 2.23 0.02 1 723 71 71 ILE HG13 H 1.17 0.02 1 724 71 71 ILE HG2 H 0.98 0.02 1 725 71 71 ILE HD1 H 0.88 0.02 1 726 71 71 ILE C C 171.4 0.2 1 727 71 71 ILE CA C 58.4 0.2 1 728 71 71 ILE CB C 41.8 0.2 1 729 71 71 ILE CG1 C 28.6 0.2 1 730 71 71 ILE CG2 C 16.7 0.2 1 731 71 71 ILE CD1 C 15 0.2 1 732 71 71 ILE N N 131.4 0.2 1 733 72 72 SER H H 8.53 0.02 1 734 72 72 SER HA H 4.76 0.02 1 735 72 72 SER HB2 H 4.03 0.02 1 736 72 72 SER HB3 H 3.95 0.02 1 737 72 72 SER C C 171.8 0.2 1 738 72 72 SER CA C 57.7 0.2 1 739 72 72 SER CB C 65.6 0.2 1 740 72 72 SER N N 117.8 0.2 1 741 73 73 ARG H H 9.36 0.02 1 742 73 73 ARG HA H 5.46 0.02 1 743 73 73 ARG HB2 H 2.28 0.02 1 744 73 73 ARG HB3 H 1.5 0.02 1 745 73 73 ARG HG2 H 1.74 0.02 1 746 73 73 ARG HG3 H 1.48 0.02 1 747 73 73 ARG HD2 H 3.22 0.02 1 748 73 73 ARG HD3 H 2.93 0.02 1 749 73 73 ARG HE H 8.3 0.02 1 750 73 73 ARG C C 172.8 0.2 1 751 73 73 ARG CA C 54.4 0.2 1 752 73 73 ARG CB C 35.6 0.2 1 753 73 73 ARG CG C 24.2 0.2 1 754 73 73 ARG CD C 44.8 0.2 1 755 73 73 ARG N N 116.4 0.2 1 756 74 74 ASP H H 9.05 0.02 1 757 74 74 ASP HA H 5.02 0.02 1 758 74 74 ASP HB2 H 3.12 0.02 1 759 74 74 ASP HB3 H 2.57 0.02 1 760 74 74 ASP C C 177.2 0.2 1 761 74 74 ASP CA C 52.6 0.2 1 762 74 74 ASP CB C 42.6 0.2 1 763 74 74 ASP N N 120.3 0.2 1 764 75 75 ASN HA H 5.06 0.02 1 765 75 75 ASN HB2 H 3.27 0.02 1 766 75 75 ASN HB3 H 3.02 0.02 1 767 75 75 ASN HD21 H 7.93 0.02 1 768 75 75 ASN HD22 H 7.51 0.02 1 769 75 75 ASN C C 176.8 0.2 1 770 75 75 ASN CA C 55.2 0.2 1 771 75 75 ASN CB C 37.3 0.2 1 772 75 75 ASN ND2 N 108.5 0.2 1 773 76 76 ALA H H 8.62 0.02 1 774 76 76 ALA HA H 4.48 0.02 1 775 76 76 ALA HB H 1.58 0.02 1 776 76 76 ALA C C 179 0.2 1 777 76 76 ALA CA C 54.2 0.2 1 778 76 76 ALA CB C 18.7 0.2 1 779 76 76 ALA N N 122.5 0.2 1 780 77 77 LYS H H 7.29 0.02 1 781 77 77 LYS HA H 4.4 0.02 1 782 77 77 LYS HB2 H 2.03 0.02 1 783 77 77 LYS HB3 H 1.44 0.02 1 784 77 77 LYS HG2 H 1.45 0.02 1 785 77 77 LYS HG3 H 1.33 0.02 1 786 77 77 LYS HD2 H 1.66 0.02 1 787 77 77 LYS HD3 H 1.66 0.02 1 788 77 77 LYS HE2 H 3 0.02 1 789 77 77 LYS HE3 H 3 0.02 1 790 77 77 LYS C C 175.9 0.2 1 791 77 77 LYS CA C 55 0.2 1 792 77 77 LYS CB C 33.8 0.2 1 793 77 77 LYS CG C 25.4 0.2 1 794 77 77 LYS CD C 29.1 0.2 1 795 77 77 LYS CE C 42.1 0.2 1 796 77 77 LYS N N 114.9 0.2 1 797 78 78 ASN H H 7.82 0.02 1 798 78 78 ASN HA H 3.18 0.02 1 799 78 78 ASN HB2 H 2.91 0.02 1 800 78 78 ASN HB3 H 2.66 0.02 1 801 78 78 ASN HD21 H 7 0.02 1 802 78 78 ASN HD22 H 6.56 0.02 1 803 78 78 ASN C C 172.5 0.2 1 804 78 78 ASN CA C 53.7 0.2 1 805 78 78 ASN CB C 36.7 0.2 1 806 78 78 ASN N N 120.3 0.2 1 807 78 78 ASN ND2 N 109.9 0.2 1 808 79 79 THR H H 7.35 0.02 1 809 79 79 THR HA H 5.39 0.02 1 810 79 79 THR HB H 3.44 0.02 1 811 79 79 THR HG2 H 0.66 0.02 1 812 79 79 THR C C 172.5 0.2 1 813 79 79 THR CA C 60.6 0.2 1 814 79 79 THR CB C 73.2 0.2 1 815 79 79 THR CG2 C 21.8 0.2 1 816 79 79 THR N N 107.6 0.2 1 817 80 80 VAL H H 8.71 0.02 1 818 80 80 VAL HA H 4.77 0.02 1 819 80 80 VAL HB H 1.95 0.02 1 820 80 80 VAL HG1 H 1.17 0.02 1 821 80 80 VAL HG2 H 1.1 0.02 1 822 80 80 VAL C C 172.9 0.2 1 823 80 80 VAL CA C 59.6 0.2 1 824 80 80 VAL CB C 35.3 0.2 1 825 80 80 VAL CG1 C 23 0.2 1 826 80 80 VAL CG2 C 22.7 0.2 1 827 80 80 VAL N N 123.2 0.2 1 828 81 81 TYR H H 9.15 0.02 1 829 81 81 TYR HA H 5.61 0.02 1 830 81 81 TYR HB2 H 2.88 0.02 1 831 81 81 TYR HB3 H 2.79 0.02 1 832 81 81 TYR HD1 H 6.94 0.02 1 833 81 81 TYR HD2 H 6.94 0.02 1 834 81 81 TYR HE1 H 6.63 0.02 1 835 81 81 TYR HE2 H 6.63 0.02 1 836 81 81 TYR C C 175.3 0.2 1 837 81 81 TYR CA C 56.6 0.2 1 838 81 81 TYR CB C 42.2 0.2 1 839 81 81 TYR CD1 C 133.4 0.2 1 840 81 81 TYR CD2 C 133.4 0.2 1 841 81 81 TYR CE1 C 118.2 0.2 1 842 81 81 TYR CE2 C 118.2 0.2 1 843 81 81 TYR N N 123.6 0.2 1 844 82 82 LEU H H 8.56 0.02 1 845 82 82 LEU HA H 4.67 0.02 1 846 82 82 LEU HB2 H 0.7 0.02 1 847 82 82 LEU HB3 H 0.7 0.02 1 848 82 82 LEU HG H 1.16 0.02 1 849 82 82 LEU HD1 H 0.56 0.02 1 850 82 82 LEU HD2 H 0.56 0.02 1 851 82 82 LEU C C 174 0.2 1 852 82 82 LEU CA C 53.6 0.2 1 853 82 82 LEU CB C 43 0.2 1 854 82 82 LEU CG C 25.5 0.2 1 855 82 82 LEU CD1 C 22.5 0.2 1 856 82 82 LEU CD2 C 22.5 0.2 1 857 82 82 LEU N N 122.1 0.2 1 858 83 83 GLN H H 9.04 0.02 1 859 83 83 GLN HA H 4.18 0.02 1 860 83 83 GLN HB2 H 1.99 0.02 1 861 83 83 GLN HB3 H 1.89 0.02 1 862 83 83 GLN HG2 H 2.34 0.02 1 863 83 83 GLN HG3 H 2.34 0.02 1 864 83 83 GLN HE21 H 7.02 0.02 1 865 83 83 GLN HE22 H 6.9 0.02 1 866 83 83 GLN C C 174.2 0.2 1 867 83 83 GLN CA C 55 0.2 1 868 83 83 GLN CB C 29.1 0.2 1 869 83 83 GLN CG C 33.5 0.2 1 870 83 83 GLN N N 128.6 0.2 1 871 83 83 GLN NE2 N 113 0.2 1 872 84 84 MET H H 8.81 0.02 1 873 84 84 MET HA H 3.97 0.02 1 874 84 84 MET HB2 H 1.74 0.02 1 875 84 84 MET HB3 H 0.99 0.02 1 876 84 84 MET HG2 H 1.49 0.02 1 877 84 84 MET HG3 H 1.49 0.02 1 878 84 84 MET C C 172.9 0.2 1 879 84 84 MET CA C 54.8 0.2 1 880 84 84 MET CB C 35.1 0.2 1 881 84 84 MET CG C 29.8 0.2 1 882 84 84 MET N N 127.3 0.2 1 883 85 85 ASN H H 7.64 0.02 1 884 85 85 ASN HA H 5.14 0.02 1 885 85 85 ASN HB2 H 3.11 0.02 1 886 85 85 ASN HB3 H 2.76 0.02 1 887 85 85 ASN HD21 H 7.37 0.02 1 888 85 85 ASN HD22 H 6.79 0.02 1 889 85 85 ASN C C 173.1 0.2 1 890 85 85 ASN CA C 51.1 0.2 1 891 85 85 ASN CB C 41 0.2 1 892 85 85 ASN N N 119.7 0.2 1 893 85 85 ASN ND2 N 113.2 0.2 1 894 86 86 SER H H 8.55 0.02 1 895 86 86 SER HA H 3.62 0.02 1 896 86 86 SER HB2 H 4.03 0.02 1 897 86 86 SER HB3 H 3.69 0.02 1 898 86 86 SER C C 176 0.2 1 899 86 86 SER CA C 57.7 0.2 1 900 86 86 SER CB C 61.9 0.2 1 901 86 86 SER N N 111.1 0.2 1 902 87 87 LEU H H 8.14 0.02 1 903 87 87 LEU HA H 3.98 0.02 1 904 87 87 LEU HB2 H 1.42 0.02 1 905 87 87 LEU HB3 H 1.27 0.02 1 906 87 87 LEU HG H 0.53 0.02 1 907 87 87 LEU HD1 H 0.88 0.02 1 908 87 87 LEU HD2 H 0.88 0.02 1 909 87 87 LEU C C 176.8 0.2 1 910 87 87 LEU CA C 56.5 0.2 1 911 87 87 LEU CB C 42.9 0.2 1 912 87 87 LEU CG C 27.1 0.2 1 913 87 87 LEU CD1 C 24.4 0.2 1 914 87 87 LEU CD2 C 24.4 0.2 1 915 87 87 LEU N N 118.9 0.2 1 916 88 88 LYS H H 9.69 0.02 1 917 88 88 LYS HA H 4.85 0.02 1 918 88 88 LYS HB2 H 2.12 0.02 1 919 88 88 LYS HB3 H 1.49 0.02 1 920 88 88 LYS HG2 H 1.56 0.02 1 921 88 88 LYS HG3 H 1.56 0.02 1 922 88 88 LYS HD2 H 1.66 0.02 1 923 88 88 LYS HD3 H 1.66 0.02 1 924 88 88 LYS HE2 H 2.87 0.02 1 925 88 88 LYS HE3 H 2.87 0.02 1 926 88 88 LYS C C 175 0.2 1 927 88 88 LYS CA C 53.3 0.2 1 928 88 88 LYS CB C 34.2 0.2 1 929 88 88 LYS CG C 24.7 0.2 1 930 88 88 LYS CD C 29.3 0.2 1 931 88 88 LYS CE C 42.2 0.2 1 932 88 88 LYS N N 122.2 0.2 1 933 89 89 PRO HA H 4.31 0.02 1 934 89 89 PRO HB2 H 2.44 0.02 1 935 89 89 PRO HB3 H 1.94 0.02 1 936 89 89 PRO HG2 H 2.3 0.02 1 937 89 89 PRO HG3 H 1.77 0.02 1 938 89 89 PRO HD2 H 3.86 0.02 1 939 89 89 PRO HD3 H 3.62 0.02 1 940 89 89 PRO CA C 66.3 0.2 1 941 89 89 PRO CB C 31.8 0.2 1 942 89 89 PRO CG C 28.5 0.2 1 943 89 89 PRO CD C 50.3 0.2 1 944 90 90 GLU H H 9.49 0.02 1 945 90 90 GLU HA H 4.31 0.02 1 946 90 90 GLU HB2 H 2.09 0.02 1 947 90 90 GLU HB3 H 2.03 0.02 1 948 90 90 GLU HG2 H 2.24 0.02 1 949 90 90 GLU HG3 H 2.24 0.02 1 950 90 90 GLU C C 176.1 0.2 1 951 90 90 GLU CA C 58.8 0.2 1 952 90 90 GLU CB C 28.3 0.2 1 953 90 90 GLU CG C 36.7 0.2 1 954 90 90 GLU N N 115.3 0.2 1 955 91 91 ASP H H 8.69 0.02 1 956 91 91 ASP HA H 4.77 0.02 1 957 91 91 ASP HB2 H 3.1 0.02 1 958 91 91 ASP HB3 H 2.81 0.02 1 959 91 91 ASP C C 176.5 0.2 1 960 91 91 ASP CA C 55.1 0.2 1 961 91 91 ASP CB C 42.1 0.2 1 962 91 91 ASP N N 118.3 0.2 1 963 92 92 THR H H 7.88 0.02 1 964 92 92 THR HA H 4.37 0.02 1 965 92 92 THR HB H 4.33 0.02 1 966 92 92 THR HG2 H 1.54 0.02 1 967 92 92 THR C C 174.3 0.2 1 968 92 92 THR CA C 65.2 0.2 1 969 92 92 THR CB C 70.2 0.2 1 970 92 92 THR CG2 C 21.5 0.2 1 971 92 92 THR N N 120.6 0.2 1 972 93 93 ALA H H 9.19 0.02 1 973 93 93 ALA HA H 4.48 0.02 1 974 93 93 ALA HB H 1.13 0.02 1 975 93 93 ALA C C 175.8 0.2 1 976 93 93 ALA CA C 52.9 0.2 1 977 93 93 ALA CB C 21.8 0.2 1 978 93 93 ALA N N 128 0.2 1 979 94 94 VAL H H 7.72 0.02 1 980 94 94 VAL HA H 4.52 0.02 1 981 94 94 VAL HB H 2.05 0.02 1 982 94 94 VAL HG1 H 1.04 0.02 1 983 94 94 VAL HG2 H 0.93 0.02 1 984 94 94 VAL C C 176.5 0.2 1 985 94 94 VAL CA C 63.1 0.2 1 986 94 94 VAL CB C 32.5 0.2 1 987 94 94 VAL CG1 C 22.4 0.2 1 988 94 94 VAL CG2 C 21.2 0.2 1 989 94 94 VAL N N 117.8 0.2 1 990 95 95 TYR H H 9.48 0.02 1 991 95 95 TYR HA H 5.39 0.02 1 992 95 95 TYR HB2 H 3.04 0.02 1 993 95 95 TYR HB3 H 2.85 0.02 1 994 95 95 TYR HD1 H 6.83 0.02 1 995 95 95 TYR HD2 H 6.83 0.02 1 996 95 95 TYR C C 174.9 0.2 1 997 95 95 TYR CA C 57.6 0.2 1 998 95 95 TYR CB C 41.1 0.2 1 999 95 95 TYR CD1 C 133.4 0.2 1 1000 95 95 TYR CD2 C 133.4 0.2 1 1001 95 95 TYR N N 130.4 0.2 1 1002 96 96 ASN H H 9.64 0.02 1 1003 96 96 ASN HA H 5.35 0.02 1 1004 96 96 ASN HB2 H 2.68 0.02 1 1005 96 96 ASN HB3 H 2.39 0.02 1 1006 96 96 ASN HD21 H 7.19 0.02 1 1007 96 96 ASN HD22 H 6.28 0.02 1 1008 96 96 ASN C C 171.4 0.2 1 1009 96 96 ASN CA C 51.8 0.2 1 1010 96 96 ASN CB C 43 0.2 1 1011 96 96 ASN N N 120.6 0.2 1 1012 96 96 ASN ND2 N 110.6 0.2 1 1013 97 97 CYS H H 10.81 0.02 1 1014 97 97 CYS HA H 4.85 0.02 1 1015 97 97 CYS HB2 H 2.25 0.02 1 1016 97 97 CYS HB3 H 0.69 0.02 1 1017 97 97 CYS C C 171.9 0.2 1 1018 97 97 CYS CA C 56.2 0.2 1 1019 97 97 CYS CB C 28.6 0.2 1 1020 97 97 CYS N N 127.4 0.2 1 1021 98 98 ALA H H 9.13 0.02 1 1022 98 98 ALA HA H 4.93 0.02 1 1023 98 98 ALA HB H 0.74 0.02 1 1024 98 98 ALA C C 175.1 0.2 1 1025 98 98 ALA CA C 50.7 0.2 1 1026 98 98 ALA CB C 23.3 0.2 1 1027 98 98 ALA N N 128.9 0.2 1 1028 99 99 ALA H H 8.55 0.02 1 1029 99 99 ALA HA H 5.62 0.02 1 1030 99 99 ALA HB H 0.97 0.02 1 1031 99 99 ALA C C 176.8 0.2 1 1032 99 99 ALA CA C 49.7 0.2 1 1033 99 99 ALA CB C 23.5 0.2 1 1034 99 99 ALA N N 123.9 0.2 1 1035 100 100 GLY H H 8.51 0.02 1 1036 100 100 GLY C C 171.2 0.2 1 1037 100 100 GLY CA C 45.2 0.2 1 1038 100 100 GLY N N 110 0.2 1 1039 101 101 LYS H H 8.58 0.02 1 1040 101 101 LYS C C 173.1 0.2 1 1041 101 101 LYS CA C 56.6 0.2 1 1042 101 101 LYS CB C 32.5 0.2 1 1043 101 101 LYS N N 121.7 0.2 1 1044 108 108 GLY HA2 H 3.93 0.02 1 1045 108 108 GLY HA3 H 3.65 0.02 1 1046 108 108 GLY C C 172.7 0.2 1 1047 108 108 GLY CA C 44.5 0.2 1 1048 109 109 ALA H H 8.3 0.02 1 1049 109 109 ALA HA H 4.4 0.02 1 1050 109 109 ALA HB H 1.3 0.02 1 1051 109 109 ALA CA C 50.5 0.2 1 1052 109 109 ALA CB C 18.1 0.2 1 1053 109 109 ALA N N 123.8 0.2 1 1054 110 110 PRO HA H 4.26 0.02 1 1055 110 110 PRO HB2 H 1.78 0.02 1 1056 110 110 PRO HB3 H 1.32 0.02 1 1057 110 110 PRO HG2 H 1.36 0.02 1 1058 110 110 PRO HG3 H 1.33 0.02 1 1059 110 110 PRO HD2 H 3.37 0.02 1 1060 110 110 PRO HD3 H 3.37 0.02 1 1061 110 110 PRO C C 175.2 0.2 1 1062 110 110 PRO CA C 62.9 0.2 1 1063 110 110 PRO CB C 32.7 0.2 1 1064 110 110 PRO CG C 27.1 0.2 1 1065 110 110 PRO CD C 50.3 0.2 1 1066 111 111 ASP H H 8.62 0.02 1 1067 111 111 ASP HA H 4.48 0.02 1 1068 111 111 ASP HB2 H 2.07 0.02 1 1069 111 111 ASP HB3 H 1.99 0.02 1 1070 111 111 ASP C C 175.4 0.2 1 1071 111 111 ASP CA C 56.2 0.2 1 1072 111 111 ASP CB C 44 0.2 1 1073 111 111 ASP N N 119.6 0.2 1 1074 112 112 TYR H H 7.44 0.02 1 1075 112 112 TYR HA H 4.78 0.02 1 1076 112 112 TYR HB2 H 3.01 0.02 1 1077 112 112 TYR HB3 H 2.2 0.02 1 1078 112 112 TYR HD1 H 6.75 0.02 1 1079 112 112 TYR HD2 H 6.75 0.02 1 1080 112 112 TYR HE1 H 6.79 0.02 1 1081 112 112 TYR HE2 H 6.79 0.02 1 1082 112 112 TYR C C 173.8 0.2 1 1083 112 112 TYR CA C 56.8 0.2 1 1084 112 112 TYR CB C 42.6 0.2 1 1085 112 112 TYR CD1 C 134.4 0.2 1 1086 112 112 TYR CD2 C 134.4 0.2 1 1087 112 112 TYR CE1 C 118.1 0.2 1 1088 112 112 TYR CE2 C 118.1 0.2 1 1089 112 112 TYR N N 113.7 0.2 1 1090 113 113 TRP H H 8.63 0.02 1 1091 113 113 TRP HA H 5.17 0.02 1 1092 113 113 TRP HB2 H 3.43 0.02 1 1093 113 113 TRP HB3 H 2.95 0.02 1 1094 113 113 TRP HD1 H 7.04 0.02 1 1095 113 113 TRP HE1 H 9.84 0.02 1 1096 113 113 TRP HE3 H 7.09 0.02 1 1097 113 113 TRP HZ2 H 7.07 0.02 1 1098 113 113 TRP HZ3 H 6.44 0.02 1 1099 113 113 TRP HH2 H 6.12 0.02 1 1100 113 113 TRP C C 176.9 0.2 1 1101 113 113 TRP CA C 57.2 0.2 1 1102 113 113 TRP CB C 32.7 0.2 1 1103 113 113 TRP CD1 C 127.2 0.2 1 1104 113 113 TRP CE3 C 120.1 0.2 1 1105 113 113 TRP CZ2 C 114.3 0.2 1 1106 113 113 TRP CZ3 C 121.9 0.2 1 1107 113 113 TRP CH2 C 124 0.2 1 1108 113 113 TRP N N 119.8 0.2 1 1109 113 113 TRP NE1 N 129.8 0.2 1 1110 114 114 GLY H H 8.74 0.02 1 1111 114 114 GLY HA2 H 4.76 0.02 1 1112 114 114 GLY HA3 H 4.52 0.02 1 1113 114 114 GLY C C 175.3 0.2 1 1114 114 114 GLY CA C 45 0.2 1 1115 114 114 GLY N N 110 0.2 1 1116 115 115 GLN H H 8.85 0.02 1 1117 115 115 GLN HA H 4.33 0.02 1 1118 115 115 GLN HB2 H 2.32 0.02 1 1119 115 115 GLN HB3 H 2.27 0.02 1 1120 115 115 GLN HG2 H 2.65 0.02 1 1121 115 115 GLN HG3 H 2.65 0.02 1 1122 115 115 GLN HE21 H 7.75 0.02 1 1123 115 115 GLN HE22 H 7.03 0.02 1 1124 115 115 GLN C C 177.8 0.2 1 1125 115 115 GLN CA C 57.5 0.2 1 1126 115 115 GLN CB C 29.7 0.2 1 1127 115 115 GLN CG C 34.2 0.2 1 1128 115 115 GLN N N 118.7 0.2 1 1129 115 115 GLN NE2 N 112.3 0.2 1 1130 116 116 GLY H H 9.51 0.02 1 1131 116 116 GLY HA2 H 4.18 0.02 1 1132 116 116 GLY HA3 H 4.05 0.02 1 1133 116 116 GLY C C 173 0.2 1 1134 116 116 GLY CA C 44.4 0.2 1 1135 116 116 GLY N N 111 0.2 1 1136 117 117 THR H H 8.91 0.02 1 1137 117 117 THR HA H 4.81 0.02 1 1138 117 117 THR HB H 3.89 0.02 1 1139 117 117 THR HG2 H 1.2 0.02 1 1140 117 117 THR C C 171.9 0.2 1 1141 117 117 THR CA C 60.5 0.2 1 1142 117 117 THR CB C 71 0.2 1 1143 117 117 THR CG2 C 20 0.2 1 1144 117 117 THR N N 128.3 0.2 1 1145 118 118 GLN H H 8.73 0.02 1 1146 118 118 GLN HA H 4.57 0.02 1 1147 118 118 GLN HB2 H 2.1 0.02 1 1148 118 118 GLN HB3 H 2.1 0.02 1 1149 118 118 GLN HE21 H 7.02 0.02 1 1150 118 118 GLN HE22 H 6.73 0.02 1 1151 118 118 GLN C C 174.9 0.2 1 1152 118 118 GLN CA C 56.8 0.2 1 1153 118 118 GLN CB C 29.6 0.2 1 1154 118 118 GLN CG C 33.5 0.2 1 1155 118 118 GLN N N 130.3 0.2 1 1156 118 118 GLN NE2 N 111.8 0.2 1 1157 119 119 VAL H H 8.91 0.02 1 1158 119 119 VAL HA H 4.46 0.02 1 1159 119 119 VAL HB H 2.39 0.02 1 1160 119 119 VAL HG1 H 0.65 0.02 1 1161 119 119 VAL HG2 H 0.63 0.02 1 1162 119 119 VAL C C 174.4 0.2 1 1163 119 119 VAL CA C 62.2 0.2 1 1164 119 119 VAL CB C 34.1 0.2 1 1165 119 119 VAL CG1 C 23.1 0.2 1 1166 119 119 VAL CG2 C 20 0.2 1 1167 119 119 VAL N N 128.3 0.2 1 1168 120 120 THR H H 8.54 0.02 1 1169 120 120 THR HA H 4.61 0.02 1 1170 120 120 THR HB H 3.87 0.02 1 1171 120 120 THR HG2 H 1.12 0.02 1 1172 120 120 THR C C 171.6 0.2 1 1173 120 120 THR CA C 62 0.2 1 1174 120 120 THR CB C 70.5 0.2 1 1175 120 120 THR CG2 C 22 0.2 1 1176 120 120 THR N N 125.1 0.2 1 1177 121 121 VAL H H 8.47 0.02 1 1178 121 121 VAL HA H 4.87 0.02 1 1179 121 121 VAL HB H 1.9 0.02 1 1180 121 121 VAL HG1 H 0.64 0.02 1 1181 121 121 VAL HG2 H 0.41 0.02 1 1182 121 121 VAL C C 175.8 0.2 1 1183 121 121 VAL CA C 59.7 0.2 1 1184 121 121 VAL CB C 32.1 0.2 1 1185 121 121 VAL CG1 C 20.8 0.2 1 1186 121 121 VAL CG2 C 20.1 0.2 1 1187 121 121 VAL N N 127.9 0.2 1 1188 122 122 SER H H 8.69 0.02 1 1189 122 122 SER HA H 4.56 0.02 1 1190 122 122 SER HB2 H 3.72 0.02 1 1191 122 122 SER HB3 H 3.72 0.02 1 1192 122 122 SER C C 173.9 0.2 1 1193 122 122 SER CA C 57.3 0.2 1 1194 122 122 SER CB C 65 0.2 1 1195 122 122 SER N N 121.6 0.2 1 1196 123 123 SER H H 8.6 0.02 1 1197 123 123 SER HA H 4.52 0.02 1 1198 123 123 SER HB2 H 3.88 0.02 1 1199 123 123 SER HB3 H 3.88 0.02 1 1200 123 123 SER C C 174.6 0.2 1 1201 123 123 SER CA C 58.2 0.2 1 1202 123 123 SER CB C 64.1 0.2 1 1203 123 123 SER N N 117.5 0.2 1 1204 124 124 LEU H H 8.5 0.02 1 1205 124 124 LEU HA H 4.3 0.02 1 1206 124 124 LEU HB2 H 1.55 0.02 1 1207 124 124 LEU HB3 H 1.55 0.02 1 1208 124 124 LEU C C 177.2 0.2 1 1209 124 124 LEU CA C 55.6 0.2 1 1210 124 124 LEU CB C 42.3 0.2 1 1211 124 124 LEU N N 123.8 0.2 1 1212 125 125 GLU H H 8.44 0.02 1 1213 125 125 GLU HA H 4.17 0.02 1 1214 125 125 GLU HB2 H 1.85 0.02 1 1215 125 125 GLU HB3 H 1.85 0.02 1 1216 125 125 GLU C C 176.1 0.2 1 1217 125 125 GLU CA C 56.8 0.2 1 1218 125 125 GLU CB C 30.3 0.2 1 1219 125 125 GLU N N 120.8 0.2 1 1220 126 126 HIS H H 8.11 0.02 1 1221 126 126 HIS HA H 4.57 0.02 1 1222 126 126 HIS HB2 H 3.06 0.02 1 1223 126 126 HIS HB3 H 2.97 0.02 1 1224 126 126 HIS C C 175.1 0.2 1 1225 126 126 HIS CA C 56.2 0.2 1 1226 126 126 HIS CB C 31.1 0.2 1 1227 126 126 HIS N N 119.8 0.2 1 1228 127 127 HIS H H 7.83 0.02 1 1229 127 127 HIS C C 179.5 0.2 1 1230 127 127 HIS CA C 57.6 0.2 1 1231 127 127 HIS CB C 30.6 0.2 1 1232 127 127 HIS N N 125.6 0.2 1 stop_ save_