data_27519 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution NMR chemical shift assignments of nanobody Nb11 specific for aflatoxin B1 ; _BMRB_accession_number 27519 _BMRB_flat_file_name bmr27519.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 Yang Yunhuang . . 2 Li Shuangli . . 3 Nie Yunhuang . . 4 He Ting . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 589 "13C chemical shifts" 448 "15N chemical shifts" 126 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2019-05-14 original BMRB . stop_ _Original_release_date 2018-06-13 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Solution NMR chemical shift assignments of nanobody Nb11 specific for aflatoxin B1 ; _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 yunhuang Yang . . 2 Shuangli Li . . 3 Ting He . . 4 yao Nie . . stop_ _Journal_abbreviation Structure _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name Nb11 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label Nb11 $Nb11 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_Nb11 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Nb11 _Molecular_mass . _Mol_thiol_state unknown _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 131 _Mol_residue_sequence ; MQLQLVESGGGLVQAGGSLR LSCVASGRTFRSNAMGWFRQ APGKEREFVAAIRWSGGSTY YADSVKGRFTISRDNAKNTV YLQMNSLKPEDTAVYLCAAG VWRSSGWDTPDYWGQGTQVT 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 VAL 25 ALA 26 SER 27 GLY 28 ARG 29 THR 30 PHE 31 ARG 32 SER 33 ASN 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 ALA 52 ILE 53 ARG 54 TRP 55 SER 56 GLY 57 GLY 58 SER 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 LEU 97 CYS 98 ALA 99 ALA 100 GLY 101 VAL 102 TRP 103 ARG 104 SER 105 SER 106 GLY 107 TRP 108 ASP 109 THR 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 $Nb11 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 $Nb11 '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 $Nb11 0.6 mM '[U-99% 13C; U-99% 15N]' D2O 10% v/v '[U-100% 13C; U-100% 15N]' 'sodium chloride' 100 mM '[U-100% 13C; U-100% 15N]' MES 20 mM '[U-100% 13C; U-100% 15N]' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version 3.1 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version 2008 loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_TALOS _Saveframe_category software _Name TALOS _Version . loop_ _Vendor _Address _Electronic_address 'Cornilescu, Delaglio and Bax' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version . loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_PSVS _Saveframe_category software _Name PSVS _Version . loop_ _Vendor _Address _Electronic_address 'Bhattacharya and Montelione' . . stop_ loop_ _Task refinement stop_ _Details . save_ save_PINE _Saveframe_category software _Name PINE _Version . loop_ _Vendor _Address _Electronic_address 'Bahrami, Markley, Assadi, and Eghbalnia' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_CNSSOLVE _Saveframe_category software _Name CNSSOLVE _Version . loop_ _Vendor _Address _Electronic_address 'Brunger, Adams, Clore, Gros, Nilges and Read' . . stop_ loop_ _Task refinement 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_2D_1H-13C_HSQC_aliphatic_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_aromatic_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aromatic' _Sample_label $sample_1 save_ save_3D_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _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_HN(CO)CA_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_C(CO)NH_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aliphatic_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aromatic_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.1 . 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 DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC aliphatic' '2D 1H-13C HSQC aromatic' '3D HNCO' '3D HNCA' '3D HNCACB' '3D HN(CO)CA' '3D CBCA(CO)NH' '3D HBHA(CO)NH' '3D HCCH-TOCSY' '3D C(CO)NH' '3D 1H-15N NOESY' '3D 1H-13C NOESY aliphatic' '3D 1H-13C NOESY aromatic' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name Nb11 _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 4.36 0.02 1 2 2 2 GLN HB2 H 2.05 0.02 1 3 2 2 GLN HB3 H 1.99 0.02 1 4 2 2 GLN HG2 H 2.35 0.02 1 5 2 2 GLN HG3 H 2.35 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 174.8 0.2 1 9 2 2 GLN CA C 55.8 0.2 1 10 2 2 GLN CB C 29.9 0.2 1 11 2 2 GLN CG C 33.8 0.2 1 12 2 2 GLN NE2 N 112.4 0.2 1 13 3 3 LEU H H 7.46 0.02 1 14 3 3 LEU HA H 4.34 0.02 1 15 3 3 LEU HB2 H 1.03 0.02 1 16 3 3 LEU HB3 H 1.03 0.02 1 17 3 3 LEU HG H 1.6 0.02 1 18 3 3 LEU HD1 H 0.56 0.02 1 19 3 3 LEU HD2 H 0.67 0.02 1 20 3 3 LEU C C 175.9 0.2 1 21 3 3 LEU CA C 55.1 0.2 1 22 3 3 LEU CB C 42.5 0.2 1 23 3 3 LEU CG C 27.2 0.2 1 24 3 3 LEU CD1 C 24.8 0.2 1 25 3 3 LEU CD2 C 24.8 0.2 1 26 3 3 LEU N N 124.3 0.2 1 27 4 4 GLN H H 8.53 0.02 1 28 4 4 GLN HA H 4.47 0.02 1 29 4 4 GLN HB2 H 2 0.02 1 30 4 4 GLN HB3 H 1.84 0.02 1 31 4 4 GLN HG2 H 2.24 0.02 1 32 4 4 GLN HG3 H 2.24 0.02 1 33 4 4 GLN HE21 H 7.37 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 55.2 0.2 1 37 4 4 GLN CB C 31.3 0.2 1 38 4 4 GLN CG C 34.1 0.2 1 39 4 4 GLN N N 122.8 0.2 1 40 4 4 GLN NE2 N 111.9 0.2 1 41 5 5 LEU H H 8.34 0.02 1 42 5 5 LEU HA H 4.84 0.02 1 43 5 5 LEU HB2 H 1.48 0.02 1 44 5 5 LEU HB3 H 1.01 0.02 1 45 5 5 LEU HG H 1.39 0.02 1 46 5 5 LEU HD1 H 0.62 0.02 1 47 5 5 LEU HD2 H 0.62 0.02 1 48 5 5 LEU C C 175.6 0.2 1 49 5 5 LEU CA C 54.3 0.2 1 50 5 5 LEU CB C 44.3 0.2 1 51 5 5 LEU CG C 27.5 0.2 1 52 5 5 LEU CD1 C 25.8 0.2 1 53 5 5 LEU CD2 C 25.8 0.2 1 54 5 5 LEU N N 124.2 0.2 1 55 6 6 VAL H H 8.06 0.02 1 56 6 6 VAL HA H 4.34 0.02 1 57 6 6 VAL HB H 2.05 0.02 1 58 6 6 VAL HG1 H 0.95 0.02 1 59 6 6 VAL HG2 H 0.95 0.02 1 60 6 6 VAL C C 175.8 0.2 1 61 6 6 VAL CA C 62.6 0.2 1 62 6 6 VAL CB C 34.6 0.2 1 63 6 6 VAL CG1 C 21.3 0.2 1 64 6 6 VAL CG2 C 21.3 0.2 1 65 6 6 VAL N N 120.8 0.2 1 66 7 7 GLU H H 10.25 0.02 1 67 7 7 GLU HA H 5.5 0.02 1 68 7 7 GLU HB2 H 2.24 0.02 1 69 7 7 GLU HB3 H 2.24 0.02 1 70 7 7 GLU HG2 H 2.14 0.02 1 71 7 7 GLU HG3 H 2.14 0.02 1 72 7 7 GLU C C 176.8 0.2 1 73 7 7 GLU CA C 57 0.2 1 74 7 7 GLU CB C 30.9 0.2 1 75 7 7 GLU CG C 37.5 0.2 1 76 7 7 GLU N N 132.2 0.2 1 77 8 8 SER H H 9.58 0.02 1 78 8 8 SER HA H 4.83 0.02 1 79 8 8 SER HB2 H 3.94 0.02 1 80 8 8 SER HB3 H 3.94 0.02 1 81 8 8 SER C C 173.5 0.2 1 82 8 8 SER CA C 58.1 0.2 1 83 8 8 SER CB C 66 0.2 1 84 8 8 SER N N 115.2 0.2 1 85 9 9 GLY H H 8.63 0.02 1 86 9 9 GLY HA2 H 4.69 0.02 1 87 9 9 GLY HA3 H 3.78 0.02 1 88 9 9 GLY C C 174.5 0.2 1 89 9 9 GLY CA C 45 0.2 1 90 9 9 GLY N N 107.3 0.2 1 91 10 10 GLY H H 7.75 0.02 1 92 10 10 GLY HA2 H 4.05 0.02 1 93 10 10 GLY HA3 H 3.58 0.02 1 94 10 10 GLY C C 173.1 0.2 1 95 10 10 GLY CA C 45.6 0.2 1 96 10 10 GLY N N 106.4 0.2 1 97 11 11 GLY H H 7.43 0.02 1 98 11 11 GLY HA2 H 4.17 0.02 1 99 11 11 GLY HA3 H 3.98 0.02 1 100 11 11 GLY C C 170.4 0.2 1 101 11 11 GLY CA C 45.1 0.2 1 102 11 11 GLY N N 107.5 0.2 1 103 12 12 LEU H H 8.14 0.02 1 104 12 12 LEU HA H 5.3 0.02 1 105 12 12 LEU HB2 H 1.67 0.02 1 106 12 12 LEU HB3 H 1.49 0.02 1 107 12 12 LEU HG H 1.45 0.02 1 108 12 12 LEU HD1 H 0.84 0.02 1 109 12 12 LEU HD2 H 0.86 0.02 1 110 12 12 LEU C C 176.8 0.2 1 111 12 12 LEU CA C 54.4 0.2 1 112 12 12 LEU CB C 43.3 0.2 1 113 12 12 LEU CG C 27.7 0.2 1 114 12 12 LEU CD1 C 25.5 0.2 1 115 12 12 LEU CD2 C 24.4 0.2 1 116 12 12 LEU N N 122.8 0.2 1 117 13 13 VAL H H 9.02 0.02 1 118 13 13 VAL HA H 4.5 0.02 1 119 13 13 VAL HB H 1.91 0.02 1 120 13 13 VAL HG1 H 0.8 0.02 1 121 13 13 VAL HG2 H 0.8 0.02 1 122 13 13 VAL C C 173.2 0.2 1 123 13 13 VAL CA C 59.6 0.2 1 124 13 13 VAL CB C 35.6 0.2 1 125 13 13 VAL CG1 C 21.4 0.2 1 126 13 13 VAL CG2 C 21.4 0.2 1 127 13 13 VAL N N 124.5 0.2 1 128 14 14 GLN H H 8.27 0.02 1 129 14 14 GLN HA H 4.57 0.02 1 130 14 14 GLN HB2 H 2.03 0.02 1 131 14 14 GLN HB3 H 1.95 0.02 1 132 14 14 GLN HG2 H 2.38 0.02 1 133 14 14 GLN HG3 H 2.38 0.02 1 134 14 14 GLN HE21 H 7.53 0.02 1 135 14 14 GLN HE22 H 6.83 0.02 1 136 14 14 GLN C C 175.9 0.2 1 137 14 14 GLN CA C 55.2 0.2 1 138 14 14 GLN CB C 29.9 0.2 1 139 14 14 GLN CG C 34.3 0.2 1 140 14 14 GLN N N 123 0.2 1 141 14 14 GLN NE2 N 112 0.2 1 142 15 15 ALA H H 8.15 0.02 1 143 15 15 ALA HA H 3.65 0.02 1 144 15 15 ALA HB H 1.38 0.02 1 145 15 15 ALA C C 177.9 0.2 1 146 15 15 ALA CA C 53.9 0.2 1 147 15 15 ALA CB C 17.9 0.2 1 148 15 15 ALA N N 124.1 0.2 1 149 16 16 GLY H H 9.66 0.02 1 150 16 16 GLY HA2 H 4.44 0.02 1 151 16 16 GLY HA3 H 3.59 0.02 1 152 16 16 GLY C C 175.5 0.2 1 153 16 16 GLY CA C 44.9 0.2 1 154 16 16 GLY N N 112.9 0.2 1 155 17 17 GLY H H 8.49 0.02 1 156 17 17 GLY HA2 H 4.34 0.02 1 157 17 17 GLY HA3 H 3.78 0.02 1 158 17 17 GLY C C 170.7 0.2 1 159 17 17 GLY CA C 44.6 0.2 1 160 17 17 GLY N N 109.4 0.2 1 161 18 18 SER H H 7.87 0.02 1 162 18 18 SER HA H 5.57 0.02 1 163 18 18 SER HB2 H 3.79 0.02 1 164 18 18 SER HB3 H 3.69 0.02 1 165 18 18 SER C C 173 0.2 1 166 18 18 SER CA C 56.6 0.2 1 167 18 18 SER CB C 67.5 0.2 1 168 18 18 SER N N 109.8 0.2 1 169 19 19 LEU H H 8.52 0.02 1 170 19 19 LEU HA H 4.37 0.02 1 171 19 19 LEU HB2 H 1.29 0.02 1 172 19 19 LEU HB3 H 1.29 0.02 1 173 19 19 LEU HG H 1.26 0.02 1 174 19 19 LEU HD1 H 0.74 0.02 1 175 19 19 LEU HD2 H 0.74 0.02 1 176 19 19 LEU C C 173.4 0.2 1 177 19 19 LEU CA C 54.8 0.2 1 178 19 19 LEU CB C 47.9 0.2 1 179 19 19 LEU CG C 27.1 0.2 1 180 19 19 LEU CD1 C 25.4 0.2 1 181 19 19 LEU CD2 C 25.4 0.2 1 182 19 19 LEU N N 121.9 0.2 1 183 20 20 ARG H H 8.15 0.02 1 184 20 20 ARG HA H 4.98 0.02 1 185 20 20 ARG HB2 H 1.76 0.02 1 186 20 20 ARG HB3 H 1.63 0.02 1 187 20 20 ARG HG2 H 1.34 0.02 1 188 20 20 ARG HG3 H 1.24 0.02 1 189 20 20 ARG HD2 H 2.95 0.02 1 190 20 20 ARG HD3 H 2.95 0.02 1 191 20 20 ARG C C 175.6 0.2 1 192 20 20 ARG CA C 54.6 0.2 1 193 20 20 ARG CB C 32.4 0.2 1 194 20 20 ARG CG C 27.8 0.2 1 195 20 20 ARG CD C 43.4 0.2 1 196 20 20 ARG N N 123.1 0.2 1 197 21 21 LEU H H 8.75 0.02 1 198 21 21 LEU HA H 4.96 0.02 1 199 21 21 LEU HB2 H 1.27 0.02 1 200 21 21 LEU HB3 H 0.94 0.02 1 201 21 21 LEU HG H 0.03 0.02 1 202 21 21 LEU HD1 H 0.33 0.02 1 203 21 21 LEU HD2 H 0.33 0.02 1 204 21 21 LEU C C 177 0.2 1 205 21 21 LEU CA C 53.1 0.2 1 206 21 21 LEU CB C 43.7 0.2 1 207 21 21 LEU CG C 26.7 0.2 1 208 21 21 LEU CD1 C 21.2 0.2 1 209 21 21 LEU CD2 C 21.2 0.2 1 210 21 21 LEU N N 127.1 0.2 1 211 22 22 SER H H 8.83 0.02 1 212 22 22 SER HA H 5.64 0.02 1 213 22 22 SER HB2 H 3.78 0.02 1 214 22 22 SER HB3 H 3.62 0.02 1 215 22 22 SER C C 173.8 0.2 1 216 22 22 SER CA C 56.9 0.2 1 217 22 22 SER CB C 67.4 0.2 1 218 22 22 SER N N 113.2 0.2 1 219 23 23 CYS H H 9.11 0.02 1 220 23 23 CYS HA H 5.23 0.02 1 221 23 23 CYS HB2 H 2.61 0.02 1 222 23 23 CYS HB3 H 2.61 0.02 1 223 23 23 CYS C C 172.7 0.2 1 224 23 23 CYS CA C 57.9 0.2 1 225 23 23 CYS CB C 30 0.2 1 226 23 23 CYS N N 121 0.2 1 227 24 24 VAL H H 8.19 0.02 1 228 24 24 VAL HA H 4.65 0.02 1 229 24 24 VAL HB H 1.97 0.02 1 230 24 24 VAL HG1 H 1.06 0.02 1 231 24 24 VAL HG2 H 1.06 0.02 1 232 24 24 VAL C C 175.1 0.2 1 233 24 24 VAL CA C 61.1 0.2 1 234 24 24 VAL CB C 33.7 0.2 1 235 24 24 VAL CG1 C 21.4 0.2 1 236 24 24 VAL CG2 C 21.4 0.2 1 237 24 24 VAL N N 129.4 0.2 1 238 25 25 ALA H H 8.73 0.02 1 239 25 25 ALA HA H 5.26 0.02 1 240 25 25 ALA HB H 1.24 0.02 1 241 25 25 ALA C C 176.7 0.2 1 242 25 25 ALA CA C 50.1 0.2 1 243 25 25 ALA CB C 20.8 0.2 1 244 25 25 ALA N N 131.6 0.2 1 245 26 26 SER H H 8.62 0.02 1 246 26 26 SER HA H 4.49 0.02 1 247 26 26 SER HB2 H 3.92 0.02 1 248 26 26 SER HB3 H 3.87 0.02 1 249 26 26 SER C C 174.1 0.2 1 250 26 26 SER CA C 58.3 0.2 1 251 26 26 SER CB C 64.3 0.2 1 252 26 26 SER N N 117.1 0.2 1 253 27 27 GLY H H 8.29 0.02 1 254 27 27 GLY HA2 H 4.11 0.02 1 255 27 27 GLY HA3 H 3.75 0.02 1 256 27 27 GLY C C 173.6 0.2 1 257 27 27 GLY CA C 45.3 0.2 1 258 27 27 GLY N N 110.4 0.2 1 259 28 28 ARG H H 8.01 0.02 1 260 28 28 ARG HA H 4.21 0.02 1 261 28 28 ARG HB2 H 1.65 0.02 1 262 28 28 ARG HB3 H 1.56 0.02 1 263 28 28 ARG HG2 H 1.41 0.02 1 264 28 28 ARG HG3 H 1.41 0.02 1 265 28 28 ARG HD2 H 2.79 0.02 1 266 28 28 ARG HD3 H 2.79 0.02 1 267 28 28 ARG C C 176.3 0.2 1 268 28 28 ARG CA C 56.5 0.2 1 269 28 28 ARG CB C 31.3 0.2 1 270 28 28 ARG CG C 27.1 0.2 1 271 28 28 ARG CD C 43.1 0.2 1 272 28 28 ARG N N 118.6 0.2 1 273 29 29 THR H H 7.97 0.02 1 274 29 29 THR HA H 4.76 0.02 1 275 29 29 THR HB H 4.16 0.02 1 276 29 29 THR HG2 H 1.03 0.02 1 277 29 29 THR C C 174.6 0.2 1 278 29 29 THR CA C 61 0.2 1 279 29 29 THR CB C 70.6 0.2 1 280 29 29 THR N N 113.2 0.2 1 281 30 30 PHE H H 8.26 0.02 1 282 30 30 PHE C C 173.4 0.2 1 283 30 30 PHE CA C 56.7 0.2 1 284 30 30 PHE CB C 42.5 0.2 1 285 31 31 ARG H H 8.29 0.02 1 286 31 31 ARG HA H 4.06 0.02 1 287 31 31 ARG HB2 H 1.63 0.02 1 288 31 31 ARG HB3 H 1.63 0.02 1 289 31 31 ARG HG2 H 1.36 0.02 1 290 31 31 ARG HG3 H 1.38 0.02 1 291 31 31 ARG HD2 H 3.07 0.02 1 292 31 31 ARG HD3 H 3.07 0.02 1 293 31 31 ARG C C 176.1 0.2 1 294 31 31 ARG CA C 57.2 0.2 1 295 31 31 ARG CB C 30.5 0.2 1 296 31 31 ARG N N 120.2 0.2 1 297 32 32 SER H H 7.15 0.02 1 298 32 32 SER HA H 4.35 0.02 1 299 32 32 SER HB2 H 4.06 0.02 1 300 32 32 SER HB3 H 3.74 0.02 1 301 32 32 SER C C 173.6 0.2 1 302 32 32 SER CA C 58.6 0.2 1 303 32 32 SER CB C 63.4 0.2 1 304 32 32 SER N N 114.1 0.2 1 305 33 33 ASN H H 8.27 0.02 1 306 33 33 ASN HA H 4.91 0.02 1 307 33 33 ASN HB2 H 3.34 0.02 1 308 33 33 ASN HB3 H 2.97 0.02 1 309 33 33 ASN HD21 H 7.69 0.02 1 310 33 33 ASN HD22 H 7.09 0.02 1 311 33 33 ASN C C 175.8 0.2 1 312 33 33 ASN CA C 53.5 0.2 1 313 33 33 ASN CB C 39.4 0.2 1 314 33 33 ASN N N 121.4 0.2 1 315 33 33 ASN ND2 N 109.2 0.2 1 316 34 34 ALA H H 8.62 0.02 1 317 34 34 ALA HA H 5.15 0.02 1 318 34 34 ALA HB H 1.5 0.02 1 319 34 34 ALA C C 175.4 0.2 1 320 34 34 ALA CA C 51.8 0.2 1 321 34 34 ALA CB C 23.9 0.2 1 322 34 34 ALA N N 123 0.2 1 323 35 35 MET H H 8.45 0.02 1 324 35 35 MET HA H 5.64 0.02 1 325 35 35 MET HB2 H 1.71 0.02 1 326 35 35 MET HB3 H 1.55 0.02 1 327 35 35 MET HG2 H 2.14 0.02 1 328 35 35 MET HG3 H 2.14 0.02 1 329 35 35 MET C C 174.6 0.2 1 330 35 35 MET CA C 53.6 0.2 1 331 35 35 MET CB C 37.1 0.2 1 332 35 35 MET CG C 32.3 0.2 1 333 35 35 MET N N 117.6 0.2 1 334 36 36 GLY H H 9.32 0.02 1 335 36 36 GLY HA2 H 4.89 0.02 1 336 36 36 GLY HA3 H 3.31 0.02 1 337 36 36 GLY C C 170.9 0.2 1 338 36 36 GLY CA C 44.8 0.2 1 339 36 36 GLY N N 109.1 0.2 1 340 37 37 TRP H H 9.4 0.02 1 341 37 37 TRP HA H 5.56 0.02 1 342 37 37 TRP HB2 H 3.12 0.02 1 343 37 37 TRP HB3 H 2.72 0.02 1 344 37 37 TRP C C 173.2 0.2 1 345 37 37 TRP CA C 56.1 0.2 1 346 37 37 TRP CB C 32.1 0.2 1 347 37 37 TRP N N 118.7 0.2 1 348 38 38 PHE H H 10.26 0.02 1 349 38 38 PHE HA H 5.29 0.02 1 350 38 38 PHE HB2 H 2.94 0.02 1 351 38 38 PHE HB3 H 3.07 0.02 1 352 38 38 PHE C C 174.2 0.2 1 353 38 38 PHE CA C 56 0.2 1 354 38 38 PHE CB C 44.1 0.2 1 355 38 38 PHE N N 122.3 0.2 1 356 39 39 ARG H H 9.57 0.02 1 357 39 39 ARG HA H 5.69 0.02 1 358 39 39 ARG HB2 H 0.75 0.02 1 359 39 39 ARG HB3 H 0.75 0.02 1 360 39 39 ARG HG2 H 1.32 0.02 1 361 39 39 ARG HG3 H 1.32 0.02 1 362 39 39 ARG HD2 H 2.65 0.02 1 363 39 39 ARG HD3 H 2.65 0.02 1 364 39 39 ARG C C 173.9 0.2 1 365 39 39 ARG CA C 53.6 0.2 1 366 39 39 ARG CB C 32.3 0.2 1 367 39 39 ARG CG C 24.4 0.2 1 368 39 39 ARG CD C 45.1 0.2 1 369 39 39 ARG N N 115.7 0.2 1 370 40 40 GLN H H 9.22 0.02 1 371 40 40 GLN HA H 4.78 0.02 1 372 40 40 GLN HB2 H 1.52 0.02 1 373 40 40 GLN HB3 H 1.97 0.02 1 374 40 40 GLN HG2 H 2.2 0.02 1 375 40 40 GLN HG3 H 2.2 0.02 1 376 40 40 GLN HE21 H 7.65 0.02 1 377 40 40 GLN HE22 H 6.78 0.02 1 378 40 40 GLN C C 174.3 0.2 1 379 40 40 GLN CA C 54.9 0.2 1 380 40 40 GLN CB C 31.8 0.2 1 381 40 40 GLN CG C 33.4 0.2 1 382 40 40 GLN N N 121.7 0.2 1 383 40 40 GLN NE2 N 112.3 0.2 1 384 41 41 ALA H H 9.44 0.02 1 385 41 41 ALA HA H 4.85 0.02 1 386 41 41 ALA HB H 1.45 0.02 1 387 41 41 ALA C C 174.5 0.2 1 388 41 41 ALA CA C 49.8 0.2 1 389 41 41 ALA CB C 18.5 0.2 1 390 41 41 ALA N N 108.1 0.2 1 391 42 42 PRO HA H 4.31 0.02 1 392 42 42 PRO HB2 H 1.92 0.02 1 393 42 42 PRO HB3 H 2.29 0.02 1 394 42 42 PRO HG2 H 2 0.02 1 395 42 42 PRO HG3 H 2.16 0.02 1 396 42 42 PRO HD2 H 3.65 0.02 1 397 42 42 PRO HD3 H 3.86 0.02 1 398 42 42 PRO C C 178.4 0.2 1 399 42 42 PRO CA C 64.4 0.2 1 400 42 42 PRO CB C 31.6 0.2 1 401 42 42 PRO CG C 28.3 0.2 1 402 42 42 PRO CD C 50.6 0.2 1 403 43 43 GLY H H 8.75 0.02 1 404 43 43 GLY HA2 H 3.75 0.02 1 405 43 43 GLY HA3 H 4.11 0.02 1 406 43 43 GLY C C 173.8 0.2 1 407 43 43 GLY CA C 45.8 0.2 1 408 43 43 GLY N N 112.5 0.2 1 409 44 44 LYS H H 7.86 0.02 1 410 44 44 LYS HA H 4.78 0.02 1 411 44 44 LYS HB2 H 1.9 0.02 1 412 44 44 LYS HB3 H 2.02 0.02 1 413 44 44 LYS HG2 H 1.33 0.02 1 414 44 44 LYS HG3 H 1.43 0.02 1 415 44 44 LYS HD2 H 1.69 0.02 1 416 44 44 LYS HD3 H 1.69 0.02 1 417 44 44 LYS HE2 H 3.03 0.02 1 418 44 44 LYS HE3 H 3.03 0.02 1 419 44 44 LYS C C 176.1 0.2 1 420 44 44 LYS CA C 54.4 0.2 1 421 44 44 LYS CB C 35.5 0.2 1 422 44 44 LYS CG C 24.8 0.2 1 423 44 44 LYS CD C 28.8 0.2 1 424 44 44 LYS CE C 42.2 0.2 1 425 44 44 LYS N N 119.7 0.2 1 426 45 45 GLU H H 8.35 0.02 1 427 45 45 GLU HA H 4.34 0.02 1 428 45 45 GLU HB2 H 1.96 0.02 1 429 45 45 GLU HB3 H 2.14 0.02 1 430 45 45 GLU HG2 H 2.37 0.02 1 431 45 45 GLU HG3 H 2.43 0.02 1 432 45 45 GLU C C 177.1 0.2 1 433 45 45 GLU CA C 55.8 0.2 1 434 45 45 GLU CB C 30.5 0.2 1 435 45 45 GLU CG C 36.4 0.2 1 436 45 45 GLU N N 119.1 0.2 1 437 46 46 ARG H H 8.76 0.02 1 438 46 46 ARG HA H 4.38 0.02 1 439 46 46 ARG HB2 H 1.72 0.02 1 440 46 46 ARG HB3 H 1.72 0.02 1 441 46 46 ARG HG2 H 1.6 0.02 1 442 46 46 ARG HG3 H 1.6 0.02 1 443 46 46 ARG HD2 H 2.6 0.02 1 444 46 46 ARG HD3 H 2.65 0.02 1 445 46 46 ARG C C 175.7 0.2 1 446 46 46 ARG CA C 57.6 0.2 1 447 46 46 ARG CB C 30.5 0.2 1 448 46 46 ARG CG C 27.4 0.2 1 449 46 46 ARG CD C 43.3 0.2 1 450 46 46 ARG N N 123.1 0.2 1 451 47 47 GLU H H 9.53 0.02 1 452 47 47 GLU HA H 5.02 0.02 1 453 47 47 GLU HB2 H 2.03 0.02 1 454 47 47 GLU HB3 H 2.12 0.02 1 455 47 47 GLU HG2 H 2.31 0.02 1 456 47 47 GLU HG3 H 2.31 0.02 1 457 47 47 GLU C C 175.4 0.2 1 458 47 47 GLU CA C 54.4 0.2 1 459 47 47 GLU CB C 33.6 0.2 1 460 47 47 GLU CG C 35.8 0.2 1 461 47 47 GLU N N 125.7 0.2 1 462 48 48 PHE H H 8.99 0.02 1 463 48 48 PHE HA H 3.71 0.02 1 464 48 48 PHE HB2 H 2.8 0.02 1 465 48 48 PHE HB3 H 3.02 0.02 1 466 48 48 PHE C C 174.2 0.2 1 467 48 48 PHE CA C 58.9 0.2 1 468 48 48 PHE CB C 39.3 0.2 1 469 48 48 PHE N N 126.4 0.2 1 470 49 49 VAL H H 7.76 0.02 1 471 49 49 VAL HA H 3.93 0.02 1 472 49 49 VAL HB H 1.8 0.02 1 473 49 49 VAL HG1 H 1.02 0.02 1 474 49 49 VAL HG2 H 0.82 0.02 1 475 49 49 VAL C C 172.9 0.2 1 476 49 49 VAL CA C 63.9 0.2 1 477 49 49 VAL CB C 33.7 0.2 1 478 49 49 VAL CG1 C 22.6 0.2 1 479 49 49 VAL CG2 C 21.1 0.2 1 480 49 49 VAL N N 124.7 0.2 1 481 50 50 ALA H H 6.99 0.02 1 482 50 50 ALA HA H 4.84 0.02 1 483 50 50 ALA HB H 1.22 0.02 1 484 50 50 ALA C C 174.8 0.2 1 485 50 50 ALA CA C 51.6 0.2 1 486 50 50 ALA CB C 23.2 0.2 1 487 50 50 ALA N N 116.3 0.2 1 488 51 51 ALA H H 9 0.02 1 489 51 51 ALA HA H 5.3 0.02 1 490 51 51 ALA HB H 1.18 0.02 1 491 51 51 ALA C C 174.5 0.2 1 492 51 51 ALA CA C 51.6 0.2 1 493 51 51 ALA CB C 23.9 0.2 1 494 51 51 ALA N N 120.1 0.2 1 495 52 52 ILE H H 9.08 0.02 1 496 52 52 ILE HA H 5.31 0.02 1 497 52 52 ILE HB H 1.48 0.02 1 498 52 52 ILE HG12 H 1.44 0.02 1 499 52 52 ILE HG13 H 1.44 0.02 1 500 52 52 ILE HG2 H 0.68 0.02 1 501 52 52 ILE HD1 H 0.68 0.02 1 502 52 52 ILE C C 172.8 0.2 1 503 52 52 ILE CA C 58.7 0.2 1 504 52 52 ILE CB C 42.2 0.2 1 505 52 52 ILE CG1 C 27.8 0.2 1 506 52 52 ILE CG2 C 14.8 0.2 1 507 52 52 ILE CD1 C 14.8 0.2 1 508 52 52 ILE N N 117.1 0.2 1 509 53 53 ARG H H 8.1 0.02 1 510 53 53 ARG HA H 4.33 0.02 1 511 53 53 ARG C C 177.1 0.2 1 512 53 53 ARG CA C 55.8 0.2 1 513 53 53 ARG CB C 30.4 0.2 1 514 53 53 ARG N N 125.8 0.2 1 515 54 54 TRP H H 8.71 0.02 1 516 54 54 TRP C C 175.7 0.2 1 517 54 54 TRP CA C 57.6 0.2 1 518 54 54 TRP N N 123.1 0.2 1 519 56 56 GLY HA2 H 3.8 0.02 1 520 56 56 GLY HA3 H 4.28 0.02 1 521 56 56 GLY C C 175.6 0.2 1 522 56 56 GLY CA C 45.5 0.2 1 523 57 57 GLY H H 7.58 0.02 1 524 57 57 GLY HA2 H 3.82 0.02 1 525 57 57 GLY HA3 H 3.91 0.02 1 526 57 57 GLY C C 174.2 0.2 1 527 57 57 GLY CA C 46.1 0.2 1 528 57 57 GLY N N 107.1 0.2 1 529 58 58 SER H H 7.84 0.02 1 530 58 58 SER HA H 4.42 0.02 1 531 58 58 SER HB2 H 3.51 0.02 1 532 58 58 SER HB3 H 3.86 0.02 1 533 58 58 SER C C 173.2 0.2 1 534 58 58 SER CA C 60 0.2 1 535 58 58 SER CB C 63.6 0.2 1 536 58 58 SER N N 115.5 0.2 1 537 59 59 THR H H 8.08 0.02 1 538 59 59 THR HA H 5.29 0.02 1 539 59 59 THR HB H 3.87 0.02 1 540 59 59 THR HG2 H 1.29 0.02 1 541 59 59 THR C C 174.2 0.2 1 542 59 59 THR CA C 59.8 0.2 1 543 59 59 THR CB C 73.3 0.2 1 544 59 59 THR CG2 C 23.1 0.2 1 545 59 59 THR N N 110.7 0.2 1 546 60 60 TYR H H 8.07 0.02 1 547 60 60 TYR HA H 4.78 0.02 1 548 60 60 TYR HB2 H 2.73 0.02 1 549 60 60 TYR HB3 H 2.82 0.02 1 550 60 60 TYR C C 173.5 0.2 1 551 60 60 TYR CA C 57.5 0.2 1 552 60 60 TYR CB C 42.3 0.2 1 553 60 60 TYR N N 119.9 0.2 1 554 61 61 TYR H H 7.79 0.02 1 555 61 61 TYR HB2 H 2.95 0.02 1 556 61 61 TYR HB3 H 2.95 0.02 1 557 61 61 TYR C C 175.4 0.2 1 558 61 61 TYR CA C 57.3 0.2 1 559 61 61 TYR CB C 43 0.2 1 560 62 62 ALA H H 8.09 0.02 1 561 62 62 ALA HA H 4.47 0.02 1 562 62 62 ALA HB H 1.61 0.02 1 563 62 62 ALA C C 179.2 0.2 1 564 62 62 ALA CA C 52.1 0.2 1 565 62 62 ALA CB C 19.7 0.2 1 566 62 62 ALA N N 124.1 0.2 1 567 63 63 ASP H H 9.02 0.02 1 568 63 63 ASP HA H 4.3 0.02 1 569 63 63 ASP HB2 H 2.71 0.02 1 570 63 63 ASP HB3 H 2.71 0.02 1 571 63 63 ASP C C 178.4 0.2 1 572 63 63 ASP CA C 58.1 0.2 1 573 63 63 ASP CB C 40.4 0.2 1 574 63 63 ASP N N 122.9 0.2 1 575 64 64 SER H H 8.17 0.02 1 576 64 64 SER HA H 4.17 0.02 1 577 64 64 SER HB2 H 3.82 0.02 1 578 64 64 SER HB3 H 3.91 0.02 1 579 64 64 SER C C 175.9 0.2 1 580 64 64 SER CA C 60 0.2 1 581 64 64 SER CB C 62.9 0.2 1 582 64 64 SER N N 110.6 0.2 1 583 65 65 VAL H H 7.19 0.02 1 584 65 65 VAL HA H 4.11 0.02 1 585 65 65 VAL HB H 1.16 0.02 1 586 65 65 VAL HG1 H 0.27 0.02 1 587 65 65 VAL HG2 H 0.9 0.02 1 588 65 65 VAL C C 175.4 0.2 1 589 65 65 VAL CA C 60.5 0.2 1 590 65 65 VAL CB C 31.8 0.2 1 591 65 65 VAL CG1 C 20.4 0.2 1 592 65 65 VAL CG2 C 19.2 0.2 1 593 65 65 VAL N N 111.4 0.2 1 594 66 66 LYS H H 7.28 0.02 1 595 66 66 LYS HA H 3.65 0.02 1 596 66 66 LYS HB2 H 1.8 0.02 1 597 66 66 LYS HB3 H 1.8 0.02 1 598 66 66 LYS HG2 H 1.4 0.02 1 599 66 66 LYS HG3 H 1.4 0.02 1 600 66 66 LYS HD2 H 1.77 0.02 1 601 66 66 LYS HD3 H 1.77 0.02 1 602 66 66 LYS HE2 H 3 0.02 1 603 66 66 LYS HE3 H 3 0.02 1 604 66 66 LYS C C 177.4 0.2 1 605 66 66 LYS CA C 58.5 0.2 1 606 66 66 LYS CB C 32.3 0.2 1 607 66 66 LYS CG C 25 0.2 1 608 66 66 LYS CD C 29.7 0.2 1 609 66 66 LYS CE C 42.3 0.2 1 610 66 66 LYS N N 125.3 0.2 1 611 67 67 GLY H H 9.11 0.02 1 612 67 67 GLY HA2 H 3.53 0.02 1 613 67 67 GLY HA3 H 4.28 0.02 1 614 67 67 GLY C C 174.1 0.2 1 615 67 67 GLY CA C 45.5 0.2 1 616 67 67 GLY N N 115.8 0.2 1 617 68 68 ARG H H 7.7 0.02 1 618 68 68 ARG HA H 4.59 0.02 1 619 68 68 ARG HB2 H 2.09 0.02 1 620 68 68 ARG HB3 H 2.09 0.02 1 621 68 68 ARG HG2 H 1.42 0.02 1 622 68 68 ARG HG3 H 1.48 0.02 1 623 68 68 ARG HD2 H 3.3 0.02 1 624 68 68 ARG HD3 H 3.3 0.02 1 625 68 68 ARG C C 175.6 0.2 1 626 68 68 ARG CA C 57.5 0.2 1 627 68 68 ARG CB C 31.1 0.2 1 628 68 68 ARG CG C 28.5 0.2 1 629 68 68 ARG CD C 43.3 0.2 1 630 68 68 ARG N N 117.4 0.2 1 631 69 69 PHE H H 7.57 0.02 1 632 69 69 PHE HA H 6.03 0.02 1 633 69 69 PHE HB2 H 2.88 0.02 1 634 69 69 PHE HB3 H 2.88 0.02 1 635 69 69 PHE C C 174.9 0.2 1 636 69 69 PHE CA C 52.5 0.2 1 637 69 69 PHE CB C 39.4 0.2 1 638 69 69 PHE N N 119.4 0.2 1 639 70 70 THR H H 8.9 0.02 1 640 70 70 THR HA H 5.12 0.02 1 641 70 70 THR HB H 3.83 0.02 1 642 70 70 THR HG2 H 1.15 0.02 1 643 70 70 THR C C 174.1 0.2 1 644 70 70 THR CA C 61.3 0.2 1 645 70 70 THR CB C 72.2 0.2 1 646 70 70 THR CG2 C 22 0.2 1 647 70 70 THR N N 112.7 0.2 1 648 71 71 ILE H H 9.42 0.02 1 649 71 71 ILE HA H 5.6 0.02 1 650 71 71 ILE HB H 1.5 0.02 1 651 71 71 ILE HG12 H 1.13 0.02 1 652 71 71 ILE HG13 H 2.2 0.02 1 653 71 71 ILE HG2 H 0.84 0.02 1 654 71 71 ILE HD1 H 0.94 0.02 1 655 71 71 ILE C C 171.6 0.2 1 656 71 71 ILE CA C 58.3 0.2 1 657 71 71 ILE CB C 42.1 0.2 1 658 71 71 ILE CG1 C 28.5 0.2 1 659 71 71 ILE CG2 C 15.9 0.2 1 660 71 71 ILE CD1 C 15.2 0.2 1 661 71 71 ILE N N 132 0.2 1 662 72 72 SER H H 8.61 0.02 1 663 72 72 SER HA H 4.63 0.02 1 664 72 72 SER HB2 H 3.86 0.02 1 665 72 72 SER HB3 H 4.03 0.02 1 666 72 72 SER C C 172.2 0.2 1 667 72 72 SER CA C 57.9 0.2 1 668 72 72 SER CB C 65.8 0.2 1 669 72 72 SER N N 118.8 0.2 1 670 73 73 ARG H H 9.21 0.02 1 671 73 73 ARG HA H 5.37 0.02 1 672 73 73 ARG HB2 H 1.58 0.02 1 673 73 73 ARG HB3 H 1.76 0.02 1 674 73 73 ARG HG2 H 1.33 0.02 1 675 73 73 ARG HG3 H 1.65 0.02 1 676 73 73 ARG HD2 H 2.7 0.02 1 677 73 73 ARG HD3 H 2.7 0.02 1 678 73 73 ARG C C 174.3 0.2 1 679 73 73 ARG CA C 54.4 0.2 1 680 73 73 ARG CB C 33.4 0.2 1 681 73 73 ARG CG C 26.8 0.2 1 682 73 73 ARG CD C 43 0.2 1 683 73 73 ARG N N 116.4 0.2 1 684 74 74 ASP H H 9.11 0.02 1 685 74 74 ASP HA H 5.04 0.02 1 686 74 74 ASP HB2 H 2.7 0.02 1 687 74 74 ASP HB3 H 3.01 0.02 1 688 74 74 ASP C C 176.7 0.2 1 689 74 74 ASP CA C 52.9 0.2 1 690 74 74 ASP CB C 42.9 0.2 1 691 74 74 ASP N N 122.3 0.2 1 692 75 75 ASN H H 9.2 0.02 1 693 75 75 ASN HA H 4.55 0.02 1 694 75 75 ASN HB2 H 2.82 0.02 1 695 75 75 ASN HB3 H 2.82 0.02 1 696 75 75 ASN HD21 H 7.54 0.02 1 697 75 75 ASN HD22 H 6.84 0.02 1 698 75 75 ASN C C 177.5 0.2 1 699 75 75 ASN CA C 56.8 0.2 1 700 75 75 ASN CB C 38.6 0.2 1 701 75 75 ASN N N 124.1 0.2 1 702 75 75 ASN ND2 N 111.5 0.2 1 703 76 76 ALA H H 8.47 0.02 1 704 76 76 ALA HA H 4.22 0.02 1 705 76 76 ALA HB H 1.56 0.02 1 706 76 76 ALA C C 179.2 0.2 1 707 76 76 ALA CA C 54.6 0.2 1 708 76 76 ALA CB C 18.4 0.2 1 709 76 76 ALA N N 121.6 0.2 1 710 77 77 LYS H H 7.42 0.02 1 711 77 77 LYS HA H 4.47 0.02 1 712 77 77 LYS HB2 H 1.45 0.02 1 713 77 77 LYS HB3 H 2.14 0.02 1 714 77 77 LYS HG2 H 1.41 0.02 1 715 77 77 LYS HG3 H 1.41 0.02 1 716 77 77 LYS HD2 H 1.38 0.02 1 717 77 77 LYS HD3 H 1.52 0.02 1 718 77 77 LYS HE2 H 2.61 0.02 1 719 77 77 LYS HE3 H 3.11 0.02 1 720 77 77 LYS C C 177.4 0.2 1 721 77 77 LYS CA C 55.1 0.2 1 722 77 77 LYS CB C 33.1 0.2 1 723 77 77 LYS CG C 22.7 0.2 1 724 77 77 LYS CD C 25.5 0.2 1 725 77 77 LYS CE C 42 0.2 1 726 77 77 LYS N N 113.5 0.2 1 727 78 78 ASN H H 8.17 0.02 1 728 78 78 ASN HA H 4.16 0.02 1 729 78 78 ASN HB2 H 2.88 0.02 1 730 78 78 ASN HB3 H 3.19 0.02 1 731 78 78 ASN HD21 H 7.3 0.02 1 732 78 78 ASN HD22 H 6.61 0.02 1 733 78 78 ASN C C 173.1 0.2 1 734 78 78 ASN CA C 54.9 0.2 1 735 78 78 ASN CB C 37.9 0.2 1 736 78 78 ASN N N 121.7 0.2 1 737 78 78 ASN ND2 N 112.2 0.2 1 738 79 79 THR H H 7.71 0.02 1 739 79 79 THR HA H 5.54 0.02 1 740 79 79 THR HB H 3.53 0.02 1 741 79 79 THR HG2 H 0.59 0.02 1 742 79 79 THR C C 172.1 0.2 1 743 79 79 THR CA C 61.7 0.2 1 744 79 79 THR CB C 73.1 0.2 1 745 79 79 THR CG2 C 21 0.2 1 746 79 79 THR N N 109.4 0.2 1 747 80 80 VAL H H 8.83 0.02 1 748 80 80 VAL HA H 4.81 0.02 1 749 80 80 VAL HB H 1.92 0.02 1 750 80 80 VAL HG1 H 0.92 0.02 1 751 80 80 VAL HG2 H 0.92 0.02 1 752 80 80 VAL C C 172.8 0.2 1 753 80 80 VAL CA C 59.4 0.2 1 754 80 80 VAL CB C 35.2 0.2 1 755 80 80 VAL CG1 C 22.6 0.2 1 756 80 80 VAL CG2 C 22.6 0.2 1 757 80 80 VAL N N 123.4 0.2 1 758 81 81 TYR H H 8.95 0.02 1 759 81 81 TYR HA H 5.62 0.02 1 760 81 81 TYR HB2 H 2.71 0.02 1 761 81 81 TYR HB3 H 2.83 0.02 1 762 81 81 TYR C C 175.4 0.2 1 763 81 81 TYR CA C 56.5 0.2 1 764 81 81 TYR CB C 41.8 0.2 1 765 81 81 TYR N N 123.2 0.2 1 766 82 82 LEU H H 8.62 0.02 1 767 82 82 LEU HA H 4.65 0.02 1 768 82 82 LEU HB2 H -0.59 0.02 1 769 82 82 LEU HB3 H 0.75 0.02 1 770 82 82 LEU HG H 0.14 0.02 1 771 82 82 LEU HD1 H 0.55 0.02 1 772 82 82 LEU HD2 H 0.55 0.02 1 773 82 82 LEU C C 174.1 0.2 1 774 82 82 LEU CA C 53.4 0.2 1 775 82 82 LEU CB C 43.2 0.2 1 776 82 82 LEU CG C 25.4 0.2 1 777 82 82 LEU CD1 C 22.9 0.2 1 778 82 82 LEU CD2 C 22.9 0.2 1 779 82 82 LEU N N 122.3 0.2 1 780 83 83 GLN H H 9.03 0.02 1 781 83 83 GLN HA H 4.22 0.02 1 782 83 83 GLN HB2 H 1.91 0.02 1 783 83 83 GLN HB3 H 2.02 0.02 1 784 83 83 GLN HG2 H 1.91 0.02 1 785 83 83 GLN HG3 H 1.91 0.02 1 786 83 83 GLN HE21 H 6.98 0.02 1 787 83 83 GLN HE22 H 6.93 0.02 1 788 83 83 GLN C C 174.1 0.2 1 789 83 83 GLN CA C 55 0.2 1 790 83 83 GLN CB C 29.1 0.2 1 791 83 83 GLN CG C 33.6 0.2 1 792 83 83 GLN N N 128.7 0.2 1 793 83 83 GLN NE2 N 113.3 0.2 1 794 84 84 MET H H 8.86 0.02 1 795 84 84 MET HA H 3.98 0.02 1 796 84 84 MET HB2 H 1.01 0.02 1 797 84 84 MET HB3 H 1.73 0.02 1 798 84 84 MET HG2 H 0.05 0.02 1 799 84 84 MET HG3 H 1.51 0.02 1 800 84 84 MET C C 173.1 0.2 1 801 84 84 MET CA C 54.9 0.2 1 802 84 84 MET CB C 35 0.2 1 803 84 84 MET CG C 29.8 0.2 1 804 84 84 MET N N 127.6 0.2 1 805 85 85 ASN H H 7.6 0.02 1 806 85 85 ASN HA H 5.15 0.02 1 807 85 85 ASN HB2 H 2.79 0.02 1 808 85 85 ASN HB3 H 3.15 0.02 1 809 85 85 ASN HD21 H 7.4 0.02 1 810 85 85 ASN HD22 H 6.81 0.02 1 811 85 85 ASN C C 173.3 0.2 1 812 85 85 ASN CA C 51.2 0.2 1 813 85 85 ASN CB C 41 0.2 1 814 85 85 ASN N N 119.7 0.2 1 815 85 85 ASN ND2 N 113.5 0.2 1 816 86 86 SER H H 8.61 0.02 1 817 86 86 SER HA H 3.75 0.02 1 818 86 86 SER HB2 H 3.75 0.02 1 819 86 86 SER HB3 H 4.06 0.02 1 820 86 86 SER C C 176.2 0.2 1 821 86 86 SER CA C 57.7 0.2 1 822 86 86 SER CB C 61.9 0.2 1 823 86 86 SER N N 111.1 0.2 1 824 87 87 LEU H H 8.11 0.02 1 825 87 87 LEU HA H 4 0.02 1 826 87 87 LEU HB2 H 1.29 0.02 1 827 87 87 LEU HB3 H 1.44 0.02 1 828 87 87 LEU HG H 1.34 0.02 1 829 87 87 LEU HD1 H 0.55 0.02 1 830 87 87 LEU HD2 H 0.9 0.02 1 831 87 87 LEU C C 177 0.2 1 832 87 87 LEU CA C 56.6 0.2 1 833 87 87 LEU CB C 42.8 0.2 1 834 87 87 LEU CG C 28.3 0.2 1 835 87 87 LEU CD1 C 27 0.2 1 836 87 87 LEU CD2 C 24.4 0.2 1 837 87 87 LEU N N 118.9 0.2 1 838 88 88 LYS H H 9.72 0.02 1 839 88 88 LYS HA H 4.87 0.02 1 840 88 88 LYS HB2 H 1.53 0.02 1 841 88 88 LYS HB3 H 2.14 0.02 1 842 88 88 LYS C C 175.1 0.2 1 843 88 88 LYS CA C 53.4 0.2 1 844 88 88 LYS CB C 34.1 0.2 1 845 88 88 LYS N N 122.5 0.2 1 846 89 89 PRO HA H 4.33 0.02 1 847 89 89 PRO HB2 H 1.95 0.02 1 848 89 89 PRO HB3 H 2.43 0.02 1 849 89 89 PRO HG2 H 1.8 0.02 1 850 89 89 PRO HG3 H 2.33 0.02 1 851 89 89 PRO HD2 H 3.66 0.02 1 852 89 89 PRO HD3 H 3.88 0.02 1 853 89 89 PRO C C 179.1 0.2 1 854 89 89 PRO CA C 66.4 0.2 1 855 89 89 PRO CB C 31.8 0.2 1 856 89 89 PRO CG C 28.6 0.2 1 857 89 89 PRO CD C 50.5 0.2 1 858 90 90 GLU H H 9.49 0.02 1 859 90 90 GLU HA H 4.34 0.02 1 860 90 90 GLU HB2 H 2.06 0.02 1 861 90 90 GLU HB3 H 2.13 0.02 1 862 90 90 GLU HG2 H 2.29 0.02 1 863 90 90 GLU HG3 H 2.29 0.02 1 864 90 90 GLU C C 176.3 0.2 1 865 90 90 GLU CA C 58.9 0.2 1 866 90 90 GLU CB C 28.3 0.2 1 867 90 90 GLU CG C 36.7 0.2 1 868 90 90 GLU N N 115.5 0.2 1 869 91 91 ASP H H 8.72 0.02 1 870 91 91 ASP HA H 4.7 0.02 1 871 91 91 ASP HB2 H 2.85 0.02 1 872 91 91 ASP HB3 H 3.13 0.02 1 873 91 91 ASP C C 176.7 0.2 1 874 91 91 ASP CA C 55.2 0.2 1 875 91 91 ASP CB C 42.1 0.2 1 876 91 91 ASP N N 118.5 0.2 1 877 92 92 THR H H 7.9 0.02 1 878 92 92 THR HA H 4.37 0.02 1 879 92 92 THR HB H 4.37 0.02 1 880 92 92 THR HG2 H 1.57 0.02 1 881 92 92 THR C C 174.4 0.2 1 882 92 92 THR CA C 65.3 0.2 1 883 92 92 THR CB C 70.3 0.2 1 884 92 92 THR CG2 C 21.6 0.2 1 885 92 92 THR N N 120.5 0.2 1 886 93 93 ALA H H 9.2 0.02 1 887 93 93 ALA HA H 4.5 0.02 1 888 93 93 ALA HB H 1.17 0.02 1 889 93 93 ALA C C 176 0.2 1 890 93 93 ALA CA C 52.8 0.2 1 891 93 93 ALA CB C 21.6 0.2 1 892 93 93 ALA N N 128.5 0.2 1 893 94 94 VAL H H 7.68 0.02 1 894 94 94 VAL HA H 4.41 0.02 1 895 94 94 VAL HB H 2.08 0.02 1 896 94 94 VAL HG1 H 1.07 0.02 1 897 94 94 VAL HG2 H 0.96 0.02 1 898 94 94 VAL C C 175.7 0.2 1 899 94 94 VAL CA C 63.3 0.2 1 900 94 94 VAL CB C 32.7 0.2 1 901 94 94 VAL CG1 C 22.5 0.2 1 902 94 94 VAL CG2 C 21.6 0.2 1 903 94 94 VAL N N 118.2 0.2 1 904 95 95 TYR H H 9.36 0.02 1 905 95 95 TYR HA H 5.27 0.02 1 906 95 95 TYR HB2 H 2.87 0.02 1 907 95 95 TYR HB3 H 3.06 0.02 1 908 95 95 TYR C C 174.8 0.2 1 909 95 95 TYR CA C 58.1 0.2 1 910 95 95 TYR CB C 40.6 0.2 1 911 95 95 TYR N N 128.9 0.2 1 912 96 96 LEU H H 9.43 0.02 1 913 96 96 LEU HA H 5.07 0.02 1 914 96 96 LEU HB2 H 1.6 0.02 1 915 96 96 LEU HB3 H 1.71 0.02 1 916 96 96 LEU HG H 0.68 0.02 1 917 96 96 LEU HD1 H 0.72 0.02 1 918 96 96 LEU HD2 H 0.72 0.02 1 919 96 96 LEU C C 173.7 0.2 1 920 96 96 LEU CA C 54.3 0.2 1 921 96 96 LEU CB C 46.6 0.2 1 922 96 96 LEU CG C 26.8 0.2 1 923 96 96 LEU CD1 C 25.4 0.2 1 924 96 96 LEU CD2 C 25.4 0.2 1 925 96 96 LEU N N 123.6 0.2 1 926 97 97 CYS HA H 5.06 0.02 1 927 97 97 CYS HB2 H 1.2 0.02 1 928 97 97 CYS HB3 H 2.3 0.02 1 929 97 97 CYS C C 171.8 0.2 1 930 97 97 CYS CA C 56.8 0.2 1 931 97 97 CYS CB C 29.8 0.2 1 932 98 98 ALA H H 8.87 0.02 1 933 98 98 ALA HA H 4.8 0.02 1 934 98 98 ALA HB H 0.29 0.02 1 935 98 98 ALA C C 176.1 0.2 1 936 98 98 ALA CA C 50.2 0.2 1 937 98 98 ALA CB C 22.6 0.2 1 938 98 98 ALA N N 125.6 0.2 1 939 99 99 ALA H H 8.17 0.02 1 940 99 99 ALA HA H 5.51 0.02 1 941 99 99 ALA HB H 1.41 0.02 1 942 99 99 ALA C C 177.4 0.2 1 943 99 99 ALA CA C 50.3 0.2 1 944 99 99 ALA CB C 22.6 0.2 1 945 99 99 ALA N N 121.5 0.2 1 946 100 100 GLY H H 8.49 0.02 1 947 100 100 GLY HA2 H 3.82 0.02 1 948 100 100 GLY HA3 H 4.4 0.02 1 949 100 100 GLY C C 170.7 0.2 1 950 100 100 GLY CA C 46.3 0.2 1 951 100 100 GLY N N 109.4 0.2 1 952 101 101 VAL H H 8.19 0.02 1 953 101 101 VAL C C 177.4 0.2 1 954 102 102 TRP H H 8.39 0.02 1 955 102 102 TRP C C 176 0.2 1 956 102 102 TRP N N 121.4 0.2 1 957 103 103 ARG H H 7.78 0.02 1 958 103 103 ARG C C 176.1 0.2 1 959 103 103 ARG CA C 55.1 0.2 1 960 103 103 ARG CB C 31.9 0.2 1 961 103 103 ARG N N 126.6 0.2 1 962 104 104 SER HA H 4.12 0.02 1 963 104 104 SER HB2 H 3.94 0.02 1 964 104 104 SER HB3 H 3.94 0.02 1 965 104 104 SER C C 175.2 0.2 1 966 104 104 SER CA C 60.9 0.2 1 967 104 104 SER CB C 62.5 0.2 1 968 105 105 SER H H 7.62 0.02 1 969 105 105 SER HA H 4.27 0.02 1 970 105 105 SER HB2 H 3.73 0.02 1 971 105 105 SER HB3 H 3.94 0.02 1 972 105 105 SER C C 173.9 0.2 1 973 105 105 SER CA C 57.9 0.2 1 974 105 105 SER CB C 63.5 0.2 1 975 105 105 SER N N 112.4 0.2 1 976 106 106 GLY H H 7.41 0.02 1 977 106 106 GLY HA2 H 2.86 0.02 1 978 106 106 GLY HA3 H 3.84 0.02 1 979 106 106 GLY C C 172.4 0.2 1 980 106 106 GLY CA C 43.9 0.2 1 981 106 106 GLY N N 109.8 0.2 1 982 107 107 TRP H H 7.52 0.02 1 983 107 107 TRP HA H 4.28 0.02 1 984 107 107 TRP HB2 H 2.51 0.02 1 985 107 107 TRP HB3 H 2.71 0.02 1 986 107 107 TRP HD1 H 6.67 0.02 1 987 107 107 TRP HE1 H 9.19 0.02 1 988 107 107 TRP C C 175.5 0.2 1 989 107 107 TRP CA C 57.4 0.2 1 990 107 107 TRP CB C 29.1 0.2 1 991 107 107 TRP CD1 C 127 0.2 1 992 107 107 TRP N N 121 0.2 1 993 107 107 TRP NE1 N 127.2 0.2 1 994 108 108 ASP H H 8.18 0.02 1 995 108 108 ASP HA H 4.63 0.02 1 996 108 108 ASP HB2 H 2.45 0.02 1 997 108 108 ASP HB3 H 2.59 0.02 1 998 108 108 ASP C C 175.3 0.2 1 999 108 108 ASP CA C 53.9 0.2 1 1000 108 108 ASP CB C 42.5 0.2 1 1001 108 108 ASP N N 124.6 0.2 1 1002 109 109 THR H H 7.76 0.02 1 1003 109 109 THR HA H 4.36 0.02 1 1004 109 109 THR HB H 3.96 0.02 1 1005 109 109 THR HG2 H 1.15 0.02 1 1006 109 109 THR C C 172.7 0.2 1 1007 109 109 THR CA C 60.1 0.2 1 1008 109 109 THR CB C 70.4 0.2 1 1009 109 109 THR N N 113.1 0.2 1 1010 110 110 PRO HA H 4.21 0.02 1 1011 110 110 PRO HB2 H 1.5 0.02 1 1012 110 110 PRO HB3 H 1.5 0.02 1 1013 110 110 PRO HG2 H 1.35 0.02 1 1014 110 110 PRO HG3 H 1.35 0.02 1 1015 110 110 PRO HD2 H 3.55 0.02 1 1016 110 110 PRO HD3 H 3.71 0.02 1 1017 110 110 PRO C C 175.3 0.2 1 1018 110 110 PRO CA C 62.9 0.2 1 1019 110 110 PRO CB C 32 0.2 1 1020 110 110 PRO CG C 27 0.2 1 1021 110 110 PRO CD C 50.7 0.2 1 1022 111 111 ASP H H 8.66 0.02 1 1023 111 111 ASP HA H 4.5 0.02 1 1024 111 111 ASP HB2 H 2.19 0.02 1 1025 111 111 ASP HB3 H 2.19 0.02 1 1026 111 111 ASP C C 175.6 0.2 1 1027 111 111 ASP CA C 55.9 0.2 1 1028 111 111 ASP CB C 43.5 0.2 1 1029 111 111 ASP N N 120.7 0.2 1 1030 112 112 TYR H H 7.46 0.02 1 1031 112 112 TYR HA H 4.81 0.02 1 1032 112 112 TYR HB2 H 2.61 0.02 1 1033 112 112 TYR HB3 H 3.11 0.02 1 1034 112 112 TYR C C 173.4 0.2 1 1035 112 112 TYR CA C 57.1 0.2 1 1036 112 112 TYR CB C 41.8 0.2 1 1037 112 112 TYR N N 115.1 0.2 1 1038 113 113 TRP H H 8.53 0.02 1 1039 113 113 TRP HA H 5.05 0.02 1 1040 113 113 TRP HB2 H 2.93 0.02 1 1041 113 113 TRP HB3 H 3.45 0.02 1 1042 113 113 TRP C C 178.3 0.2 1 1043 113 113 TRP CA C 56.8 0.2 1 1044 113 113 TRP CB C 33.8 0.2 1 1045 113 113 TRP N N 120.3 0.2 1 1046 114 114 GLY H H 8.9 0.02 1 1047 114 114 GLY HA2 H 4.49 0.02 1 1048 114 114 GLY HA3 H 4.8 0.02 1 1049 114 114 GLY C C 173.4 0.2 1 1050 114 114 GLY CA C 45 0.2 1 1051 114 114 GLY N N 110 0.2 1 1052 115 115 GLN H H 9.09 0.02 1 1053 115 115 GLN HA H 4.48 0.02 1 1054 115 115 GLN HB2 H 2.29 0.02 1 1055 115 115 GLN HB3 H 2.34 0.02 1 1056 115 115 GLN HG2 H 2.65 0.02 1 1057 115 115 GLN HG3 H 2.65 0.02 1 1058 115 115 GLN HE21 H 7.81 0.02 1 1059 115 115 GLN HE22 H 7.02 0.02 1 1060 115 115 GLN C C 178 0.2 1 1061 115 115 GLN CA C 56.8 0.2 1 1062 115 115 GLN CB C 30.9 0.2 1 1063 115 115 GLN CG C 34.5 0.2 1 1064 115 115 GLN N N 117.6 0.2 1 1065 115 115 GLN NE2 N 112.7 0.2 1 1066 116 116 GLY H H 9.43 0.02 1 1067 116 116 GLY HA2 H 4.21 0.02 1 1068 116 116 GLY HA3 H 4.28 0.02 1 1069 116 116 GLY C C 173.2 0.2 1 1070 116 116 GLY CA C 44.3 0.2 1 1071 116 116 GLY N N 110.7 0.2 1 1072 117 117 THR H H 9.17 0.02 1 1073 117 117 THR HA H 4.87 0.02 1 1074 117 117 THR HB H 3.94 0.02 1 1075 117 117 THR HG2 H 1.3 0.02 1 1076 117 117 THR C C 172.2 0.2 1 1077 117 117 THR CA C 60.5 0.2 1 1078 117 117 THR CB C 71.1 0.2 1 1079 117 117 THR CG2 C 20.1 0.2 1 1080 117 117 THR N N 117.1 0.2 1 1081 118 118 GLN H H 8.74 0.02 1 1082 118 118 GLN HA H 4.54 0.02 1 1083 118 118 GLN HB2 H 2.11 0.02 1 1084 118 118 GLN HB3 H 2.16 0.02 1 1085 118 118 GLN HG2 H 2.39 0.02 1 1086 118 118 GLN HG3 H 2.39 0.02 1 1087 118 118 GLN HE21 H 6.98 0.02 1 1088 118 118 GLN HE22 H 6.75 0.02 1 1089 118 118 GLN C C 175.2 0.2 1 1090 118 118 GLN CA C 57 0.2 1 1091 118 118 GLN CB C 29.3 0.2 1 1092 118 118 GLN CG C 33.5 0.2 1 1093 118 118 GLN N N 130.6 0.2 1 1094 118 118 GLN NE2 N 112.1 0.2 1 1095 119 119 VAL H H 8.96 0.02 1 1096 119 119 VAL HA H 4.51 0.02 1 1097 119 119 VAL HB H 2.44 0.02 1 1098 119 119 VAL HG1 H 0.7 0.02 1 1099 119 119 VAL HG2 H 0.65 0.02 1 1100 119 119 VAL C C 174.8 0.2 1 1101 119 119 VAL CA C 62.3 0.2 1 1102 119 119 VAL CB C 34 0.2 1 1103 119 119 VAL CG1 C 23 0.2 1 1104 119 119 VAL CG2 C 19.9 0.2 1 1105 119 119 VAL N N 128.7 0.2 1 1106 120 120 THR H H 8.56 0.02 1 1107 120 120 THR HA H 4.65 0.02 1 1108 120 120 THR HB H 3.92 0.02 1 1109 120 120 THR HG2 H 1.15 0.02 1 1110 120 120 THR C C 171.7 0.2 1 1111 120 120 THR CA C 62.2 0.2 1 1112 120 120 THR CB C 70.6 0.2 1 1113 120 120 THR CG2 C 22.1 0.2 1 1114 120 120 THR N N 125.3 0.2 1 1115 121 121 VAL H H 8.47 0.02 1 1116 121 121 VAL HA H 4.89 0.02 1 1117 121 121 VAL HB H 1.93 0.02 1 1118 121 121 VAL HG1 H 0.43 0.02 1 1119 121 121 VAL HG2 H 0.43 0.02 1 1120 121 121 VAL C C 175.9 0.2 1 1121 121 121 VAL CA C 59.8 0.2 1 1122 121 121 VAL CB C 32.1 0.2 1 1123 121 121 VAL CG1 C 20.1 0.2 1 1124 121 121 VAL CG2 C 20.1 0.2 1 1125 121 121 VAL N N 128 0.2 1 1126 122 122 SER H H 8.72 0.02 1 1127 122 122 SER HA H 4.55 0.02 1 1128 122 122 SER HB2 H 3.75 0.02 1 1129 122 122 SER HB3 H 3.84 0.02 1 1130 122 122 SER C C 174 0.2 1 1131 122 122 SER CA C 57.5 0.2 1 1132 122 122 SER CB C 65 0.2 1 1133 122 122 SER N N 122 0.2 1 1134 123 123 SER H H 8.59 0.02 1 1135 123 123 SER HA H 4.54 0.02 1 1136 123 123 SER HB2 H 3.87 0.02 1 1137 123 123 SER HB3 H 3.92 0.02 1 1138 123 123 SER C C 174.8 0.2 1 1139 123 123 SER CA C 58.2 0.2 1 1140 123 123 SER CB C 64.2 0.2 1 1141 123 123 SER N N 117.5 0.2 1 1142 124 124 LEU H H 8.51 0.02 1 1143 124 124 LEU HA H 4.31 0.02 1 1144 124 124 LEU HB2 H 1.58 0.02 1 1145 124 124 LEU HB3 H 1.58 0.02 1 1146 124 124 LEU HG H 1.41 0.02 1 1147 124 124 LEU HD1 H 0.85 0.02 1 1148 124 124 LEU HD2 H 0.89 0.02 1 1149 124 124 LEU C C 177.3 0.2 1 1150 124 124 LEU CA C 55.6 0.2 1 1151 124 124 LEU CB C 42.3 0.2 1 1152 124 124 LEU CG C 27.1 0.2 1 1153 124 124 LEU CD1 C 23.8 0.2 1 1154 124 124 LEU CD2 C 25 0.2 1 1155 124 124 LEU N N 124.1 0.2 1 1156 125 125 GLU H H 8.41 0.02 1 1157 125 125 GLU C C 176.1 0.2 1 1158 125 125 GLU CA C 56.7 0.2 1 1159 125 125 GLU CB C 30.3 0.2 1 1160 125 125 GLU N N 121.3 0.2 1 1161 126 126 HIS H H 8.26 0.02 1 1162 126 126 HIS C C 175 0.2 1 1163 126 126 HIS N N 120.1 0.2 1 stop_ save_