data_27867 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; chemical shifts assignments of TGIF1-RD2a ; _BMRB_accession_number 27867 _BMRB_flat_file_name bmr27867.str _Entry_type original _Submission_date 2019-04-04 _Accession_date 2019-04-04 _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 Cai Cong . . 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" 594 "13C chemical shifts" 463 "15N chemical shifts" 104 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2020-02-21 update BMRB 'update entry citation' 2019-05-06 original author 'original release' stop_ _Original_release_date 2019-04-05 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Backbone and side chain resonance assignments of the C-terminal domain of human TGIF1 ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 31388821 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Cai Cong . . 2 Nie Yao . . 3 Yue Xiali . . 4 Zhu Jiang . . 5 Hu Rui . . 6 Liu Maili . . 7 Yang Yunhuang . . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_volume 13 _Journal_issue 2 _Journal_ISSN 1874-270X _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 357 _Page_last 360 _Year 2019 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'TGIF2-RD2a monomer' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'TGIF2-RD2a monomer' $TGIF1-TD2a 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_TGIF1-TD2a _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common TGIF1-TD2a _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 122 _Mol_residue_sequence ; GSMGIKNFMPALEETPFHSC TAGPNPTLGRPLSPKPSSPG SVLARPSVICHTTVTALKDV PFSLCQSVGVGQNTDIQQIA AKNFTDTSLMYPEDTCKSGP STNTQSGLFNTPPPTPPDLN QD ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 GLY 2 2 SER 3 3 MET 4 4 GLY 5 5 ILE 6 6 LYS 7 7 ASN 8 8 PHE 9 9 MET 10 10 PRO 11 11 ALA 12 12 LEU 13 13 GLU 14 14 GLU 15 15 THR 16 16 PRO 17 17 PHE 18 18 HIS 19 19 SER 20 20 CYS 21 21 THR 22 22 ALA 23 23 GLY 24 24 PRO 25 25 ASN 26 26 PRO 27 27 THR 28 28 LEU 29 29 GLY 30 30 ARG 31 31 PRO 32 32 LEU 33 33 SER 34 34 PRO 35 35 LYS 36 36 PRO 37 37 SER 38 38 SER 39 39 PRO 40 40 GLY 41 41 SER 42 42 VAL 43 43 LEU 44 44 ALA 45 45 ARG 46 46 PRO 47 47 SER 48 48 VAL 49 49 ILE 50 50 CYS 51 51 HIS 52 52 THR 53 53 THR 54 54 VAL 55 55 THR 56 56 ALA 57 57 LEU 58 58 LYS 59 59 ASP 60 60 VAL 61 61 PRO 62 62 PHE 63 63 SER 64 64 LEU 65 65 CYS 66 66 GLN 67 67 SER 68 68 VAL 69 69 GLY 70 70 VAL 71 71 GLY 72 72 GLN 73 73 ASN 74 74 THR 75 75 ASP 76 76 ILE 77 77 GLN 78 78 GLN 79 79 ILE 80 80 ALA 81 81 ALA 82 82 LYS 83 83 ASN 84 84 PHE 85 85 THR 86 86 ASP 87 87 THR 88 88 SER 89 89 LEU 90 90 MET 91 91 TYR 92 92 PRO 93 93 GLU 94 94 ASP 95 95 THR 96 96 CYS 97 97 LYS 98 98 SER 99 99 GLY 100 100 PRO 101 101 SER 102 102 THR 103 103 ASN 104 104 THR 105 105 GLN 106 106 SER 107 107 GLY 108 108 LEU 109 109 PHE 110 110 ASN 111 111 THR 112 112 PRO 113 113 PRO 114 114 PRO 115 115 THR 116 116 PRO 117 117 PRO 118 118 ASP 119 119 LEU 120 120 ASN 121 121 GLN 122 122 ASP 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 $TGIF1-TD2a Human 9606 Eukaryota Metazoa Homo sapiens 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 $TGIF1-TD2a 'recombinant technology' . Escherichia coli . pET32m stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '0.5 mM, U-13C,15N labeled,20 mM HEPES 80 mM NaCl 2 mM DTT 1 mM PMSF pH=6.4' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $TGIF1-TD2a 0.5 mM '[U-100% 13C; U-100% 15N]' HEPES 20 mM 'natural abundance' NaCl 80 mM 'natural abundance' DTT 2 mM 'natural abundance' PMSF 1 mM 'natural abundance' 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 700 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_aliphatic_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_aromatic_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aromatic' _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_HNCO_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCA_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCACB_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _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_HN(CO)CA_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_HCCH-COSY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-COSY' _Sample_label $sample_1 save_ save_3D_H(CCO)NH_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _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 6.4 . pH pressure 1 . atm temperature 293 . 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 internal direct . . . 0.25144953 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.0 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_ _Software_label $SPARKY stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '2D 1H-13C HSQC aliphatic' '2D 1H-13C HSQC aromatic' '3D HNCO' '3D HNCA' '3D HNCACB' '3D HBHA(CO)NH' '3D HN(CO)CA' '3D HCCH-TOCSY' '3D HCCH-COSY' '3D H(CCO)NH' 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 'TGIF2-RD2a monomer' _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 SER HA H 4.47 0.02 1 2 2 2 SER HB2 H 3.83 0.02 1 3 2 2 SER HB3 H 3.83 0.02 1 4 2 2 SER C C 174.7 0.2 1 5 2 2 SER CA C 58.3 0.2 1 6 2 2 SER CB C 64 0.2 1 7 3 3 MET H H 8.59 0.02 1 8 3 3 MET HA H 4.47 0.02 1 9 3 3 MET HB2 H 2.09 0.02 1 10 3 3 MET HB3 H 2 0.02 1 11 3 3 MET HG2 H 2.59 0.02 1 12 3 3 MET HG3 H 2.52 0.02 1 13 3 3 MET C C 176.6 0.2 1 14 3 3 MET CA C 55.6 0.2 1 15 3 3 MET CB C 32.7 0.2 1 16 3 3 MET CG C 31.9 0.2 1 17 3 3 MET N N 122.3 0.2 1 18 4 4 GLY H H 8.4 0.02 1 19 4 4 GLY HA2 H 3.96 0.02 1 20 4 4 GLY HA3 H 3.86 0.02 1 21 4 4 GLY C C 173.9 0.2 1 22 4 4 GLY CA C 45.3 0.2 1 23 4 4 GLY N N 110.1 0.2 1 24 5 5 ILE H H 7.99 0.02 1 25 5 5 ILE HA H 4.12 0.02 1 26 5 5 ILE HB H 1.81 0.02 1 27 5 5 ILE HG12 H 1.41 0.02 1 28 5 5 ILE HG13 H 1.14 0.02 1 29 5 5 ILE HG2 H 0.86 0.02 1 30 5 5 ILE HD1 H 0.81 0.02 1 31 5 5 ILE C C 176.3 0.2 1 32 5 5 ILE CA C 61.2 0.2 1 33 5 5 ILE CB C 38.7 0.2 1 34 5 5 ILE CG1 C 27.3 0.2 1 35 5 5 ILE CG2 C 17.4 0.2 1 36 5 5 ILE CD1 C 12.9 0.2 1 37 5 5 ILE N N 120.2 0.2 1 38 6 6 LYS H H 8.39 0.02 1 39 6 6 LYS HA H 4.32 0.02 1 40 6 6 LYS HB2 H 1.69 0.02 1 41 6 6 LYS HB3 H 1.66 0.02 1 42 6 6 LYS HG2 H 1.37 0.02 1 43 6 6 LYS HG3 H 1.37 0.02 1 44 6 6 LYS HD2 H 1.62 0.02 1 45 6 6 LYS HD3 H 1.62 0.02 1 46 6 6 LYS HE2 H 2.95 0.02 1 47 6 6 LYS HE3 H 2.95 0.02 1 48 6 6 LYS C C 175.9 0.2 1 49 6 6 LYS CA C 56.3 0.2 1 50 6 6 LYS CB C 32.9 0.2 1 51 6 6 LYS CG C 24.6 0.2 1 52 6 6 LYS CD C 29 0.2 1 53 6 6 LYS CE C 42.1 0.2 1 54 6 6 LYS N N 125.4 0.2 1 55 7 7 ASN H H 8.34 0.02 1 56 7 7 ASN HA H 4.62 0.02 1 57 7 7 ASN HB2 H 2.73 0.02 1 58 7 7 ASN HB3 H 2.62 0.02 1 59 7 7 ASN C C 174.4 0.2 1 60 7 7 ASN CA C 53.2 0.2 1 61 7 7 ASN CB C 38.9 0.2 1 62 7 7 ASN N N 119.8 0.2 1 63 8 8 PHE H H 8.15 0.02 1 64 8 8 PHE HA H 4.53 0.02 1 65 8 8 PHE HB2 H 3.01 0.02 1 66 8 8 PHE HB3 H 3.01 0.02 1 67 8 8 PHE C C 175 0.2 1 68 8 8 PHE CA C 57.9 0.2 1 69 8 8 PHE CB C 39.5 0.2 1 70 8 8 PHE N N 120.5 0.2 1 71 9 9 MET H H 8.11 0.02 1 72 9 9 MET HA H 4.34 0.02 1 73 9 9 MET HB2 H 1.97 0.02 1 74 9 9 MET HB3 H 1.84 0.02 1 75 9 9 MET HG2 H 2.51 0.02 1 76 9 9 MET HG3 H 2.43 0.02 1 77 9 9 MET C C 173.4 0.2 1 78 9 9 MET CA C 52.8 0.2 1 79 9 9 MET CB C 32.7 0.2 1 80 9 9 MET CG C 32 0.2 1 81 9 9 MET N N 124 0.2 1 82 10 10 PRO HA H 4.31 0.02 1 83 10 10 PRO HB2 H 2.25 0.02 1 84 10 10 PRO HB3 H 1.85 0.02 1 85 10 10 PRO HG2 H 1.97 0.02 1 86 10 10 PRO HG3 H 1.97 0.02 1 87 10 10 PRO HD2 H 3.77 0.02 1 88 10 10 PRO HD3 H 3.61 0.02 1 89 10 10 PRO C C 176.3 0.2 1 90 10 10 PRO CA C 63 0.2 1 91 10 10 PRO CB C 32.1 0.2 1 92 10 10 PRO CG C 27.3 0.2 1 93 10 10 PRO CD C 50.5 0.2 1 94 11 11 ALA H H 8.35 0.02 1 95 11 11 ALA HA H 4.25 0.02 1 96 11 11 ALA HB H 1.32 0.02 1 97 11 11 ALA C C 177.6 0.2 1 98 11 11 ALA CA C 52.3 0.2 1 99 11 11 ALA CB C 19.2 0.2 1 100 11 11 ALA N N 124.1 0.2 1 101 12 12 LEU H H 8.21 0.02 1 102 12 12 LEU HA H 4.27 0.02 1 103 12 12 LEU HB2 H 1.58 0.02 1 104 12 12 LEU HB3 H 1.54 0.02 1 105 12 12 LEU HG H 1.58 0.02 1 106 12 12 LEU HD1 H 0.88 0.02 1 107 12 12 LEU HD2 H 0.82 0.02 1 108 12 12 LEU C C 177.5 0.2 1 109 12 12 LEU CA C 55.2 0.2 1 110 12 12 LEU CB C 42.3 0.2 1 111 12 12 LEU CG C 26.8 0.2 1 112 12 12 LEU CD1 C 24.9 0.2 1 113 12 12 LEU CD2 C 23.5 0.2 1 114 12 12 LEU N N 121.8 0.2 1 115 13 13 GLU H H 8.38 0.02 1 116 13 13 GLU HA H 4.3 0.02 1 117 13 13 GLU HB2 H 2 0.02 1 118 13 13 GLU HB3 H 1.89 0.02 1 119 13 13 GLU HG2 H 2.23 0.02 1 120 13 13 GLU HG3 H 2.23 0.02 1 121 13 13 GLU C C 176.3 0.2 1 122 13 13 GLU CA C 56.4 0.2 1 123 13 13 GLU CB C 30.3 0.2 1 124 13 13 GLU CG C 36.3 0.2 1 125 13 13 GLU N N 121.6 0.2 1 126 14 14 GLU H H 8.4 0.02 1 127 14 14 GLU HA H 4.3 0.02 1 128 14 14 GLU HB2 H 2.01 0.02 1 129 14 14 GLU HB3 H 1.9 0.02 1 130 14 14 GLU HG2 H 2.26 0.02 1 131 14 14 GLU HG3 H 2.26 0.02 1 132 14 14 GLU C C 176.2 0.2 1 133 14 14 GLU CA C 56.4 0.2 1 134 14 14 GLU CB C 30.5 0.2 1 135 14 14 GLU CG C 36.2 0.2 1 136 14 14 GLU N N 122.3 0.2 1 137 15 15 THR H H 8.28 0.02 1 138 15 15 THR HA H 4.51 0.02 1 139 15 15 THR HB H 4.06 0.02 1 140 15 15 THR HG2 H 1.21 0.02 1 141 15 15 THR C C 172.6 0.2 1 142 15 15 THR CA C 59.6 0.2 1 143 15 15 THR CB C 70 0.2 1 144 15 15 THR CG2 C 21.2 0.2 1 145 15 15 THR N N 117.8 0.2 1 146 16 16 PRO HA H 4.34 0.02 1 147 16 16 PRO HB2 H 2.17 0.02 1 148 16 16 PRO HB3 H 1.65 0.02 1 149 16 16 PRO HG2 H 1.87 0.02 1 150 16 16 PRO HG3 H 1.87 0.02 1 151 16 16 PRO HD2 H 3.8 0.02 1 152 16 16 PRO HD3 H 3.63 0.02 1 153 16 16 PRO C C 176.6 0.2 1 154 16 16 PRO CA C 63.3 0.2 1 155 16 16 PRO CB C 31.9 0.2 1 156 16 16 PRO CG C 27.2 0.2 1 157 16 16 PRO CD C 50.6 0.2 1 158 17 17 PHE HA H 4.49 0.02 1 159 17 17 PHE HB2 H 3.02 0.02 1 160 17 17 PHE HB3 H 3.02 0.02 1 161 17 17 PHE C C 175.3 0.2 1 162 17 17 PHE CA C 58 0.2 1 163 17 17 PHE CB C 39.4 0.2 1 164 18 18 HIS HD2 H 7.08 0.02 1 165 18 18 HIS CD2 C 120 0.2 1 166 19 19 SER HA H 4.49 0.02 1 167 19 19 SER HB2 H 3.82 0.02 1 168 19 19 SER HB3 H 3.82 0.02 1 169 19 19 SER C C 174.5 0.2 1 170 19 19 SER CA C 58.2 0.2 1 171 19 19 SER CB C 63.9 0.2 1 172 20 20 CYS H H 8.55 0.02 1 173 20 20 CYS HA H 4.58 0.02 1 174 20 20 CYS HB2 H 2.93 0.02 1 175 20 20 CYS HB3 H 2.93 0.02 1 176 20 20 CYS C C 174.8 0.2 1 177 20 20 CYS CA C 58.7 0.2 1 178 20 20 CYS CB C 28 0.2 1 179 20 20 CYS N N 121.4 0.2 1 180 21 21 THR H H 8.23 0.02 1 181 21 21 THR HA H 4.26 0.02 1 182 21 21 THR HB H 4.23 0.02 1 183 21 21 THR HG2 H 1.16 0.02 1 184 21 21 THR C C 174.1 0.2 1 185 21 21 THR CA C 62 0.2 1 186 21 21 THR CB C 69.9 0.2 1 187 21 21 THR CG2 C 21.5 0.2 1 188 21 21 THR N N 116.3 0.2 1 189 22 22 ALA H H 8.26 0.02 1 190 22 22 ALA HA H 4.35 0.02 1 191 22 22 ALA HB H 1.35 0.02 1 192 22 22 ALA C C 177.6 0.2 1 193 22 22 ALA CA C 52.4 0.2 1 194 22 22 ALA CB C 19.5 0.2 1 195 22 22 ALA N N 126.5 0.2 1 196 23 23 GLY H H 8.15 0.02 1 197 23 23 GLY HA2 H 4.13 0.02 1 198 23 23 GLY HA3 H 4.08 0.02 1 199 23 23 GLY C C 171.5 0.2 1 200 23 23 GLY CA C 44.4 0.2 1 201 23 23 GLY N N 108.4 0.2 1 202 24 24 PRO HA H 4.37 0.02 1 203 24 24 PRO HB2 H 2.19 0.02 1 204 24 24 PRO HB3 H 1.86 0.02 1 205 24 24 PRO HG2 H 1.95 0.02 1 206 24 24 PRO HG3 H 1.95 0.02 1 207 24 24 PRO HD2 H 3.65 0.02 1 208 24 24 PRO HD3 H 3.65 0.02 1 209 24 24 PRO C C 176.7 0.2 1 210 24 24 PRO CA C 63 0.2 1 211 24 24 PRO CB C 32.2 0.2 1 212 24 24 PRO CG C 27.3 0.2 1 213 24 24 PRO CD C 50.4 0.2 1 214 25 25 ASN H H 8.54 0.02 1 215 25 25 ASN HA H 4.92 0.02 1 216 25 25 ASN HB2 H 2.81 0.02 1 217 25 25 ASN HB3 H 2.67 0.02 1 218 25 25 ASN HD21 H 7.67 0.02 1 219 25 25 ASN HD22 H 6.97 0.02 1 220 25 25 ASN C C 173.7 0.2 1 221 25 25 ASN CA C 51.4 0.2 1 222 25 25 ASN CB C 38.8 0.2 1 223 25 25 ASN N N 119.8 0.2 1 224 25 25 ASN ND2 N 112.7 0.2 1 225 26 26 PRO HA H 4.43 0.02 1 226 26 26 PRO HB2 H 2.25 0.02 1 227 26 26 PRO HB3 H 1.93 0.02 1 228 26 26 PRO HG2 H 1.98 0.02 1 229 26 26 PRO HG3 H 1.98 0.02 1 230 26 26 PRO HD2 H 3.65 0.02 1 231 26 26 PRO HD3 H 3.65 0.02 1 232 26 26 PRO C C 177.3 0.2 1 233 26 26 PRO CA C 63.7 0.2 1 234 26 26 PRO CB C 32.2 0.2 1 235 26 26 PRO CG C 27.6 0.2 1 236 26 26 PRO CD C 50.7 0.2 1 237 27 27 THR H H 8.21 0.02 1 238 27 27 THR HA H 4.26 0.02 1 239 27 27 THR HB H 4.14 0.02 1 240 27 27 THR C C 174.7 0.2 1 241 27 27 THR CA C 62.3 0.2 1 242 27 27 THR CB C 69.6 0.2 1 243 27 27 THR N N 113.7 0.2 1 244 28 28 LEU H H 8.02 0.02 1 245 28 28 LEU HA H 4.3 0.02 1 246 28 28 LEU HB2 H 1.68 0.02 1 247 28 28 LEU HB3 H 1.54 0.02 1 248 28 28 LEU HG H 1.52 0.02 1 249 28 28 LEU HD1 H 0.86 0.02 1 250 28 28 LEU HD2 H 0.83 0.02 1 251 28 28 LEU C C 177.6 0.2 1 252 28 28 LEU CA C 55.4 0.2 1 253 28 28 LEU CB C 42.3 0.2 1 254 28 28 LEU CG C 26.6 0.2 1 255 28 28 LEU CD1 C 24.9 0.2 1 256 28 28 LEU CD2 C 23.5 0.2 1 257 28 28 LEU N N 124.1 0.2 1 258 29 29 GLY H H 8.35 0.02 1 259 29 29 GLY HA2 H 3.98 0.02 1 260 29 29 GLY HA3 H 3.82 0.02 1 261 29 29 GLY C C 173.5 0.2 1 262 29 29 GLY CA C 45.1 0.2 1 263 29 29 GLY N N 109.5 0.2 1 264 30 30 ARG H H 8.04 0.02 1 265 30 30 ARG HA H 4.58 0.02 1 266 30 30 ARG HB2 H 1.81 0.02 1 267 30 30 ARG HB3 H 1.67 0.02 1 268 30 30 ARG HG2 H 1.57 0.02 1 269 30 30 ARG HG3 H 1.57 0.02 1 270 30 30 ARG HD2 H 2.66 0.02 1 271 30 30 ARG HD3 H 2.66 0.02 1 272 30 30 ARG C C 174.1 0.2 1 273 30 30 ARG CA C 53.9 0.2 1 274 30 30 ARG CB C 30.2 0.2 1 275 30 30 ARG CG C 26.7 0.2 1 276 30 30 ARG CD C 41 0.2 1 277 30 30 ARG N N 121.3 0.2 1 278 31 31 PRO HA H 4.32 0.02 1 279 31 31 PRO HB2 H 2.29 0.02 1 280 31 31 PRO HB3 H 2.18 0.02 1 281 31 31 PRO HG2 H 1.94 0.02 1 282 31 31 PRO HG3 H 1.94 0.02 1 283 31 31 PRO HD2 H 3.76 0.02 1 284 31 31 PRO HD3 H 3.76 0.02 1 285 31 31 PRO C C 176.8 0.2 1 286 31 31 PRO CA C 62.9 0.2 1 287 31 31 PRO CB C 32.1 0.2 1 288 31 31 PRO CG C 27.2 0.2 1 289 31 31 PRO CD C 50.6 0.2 1 290 32 32 LEU H H 8.41 0.02 1 291 32 32 LEU HA H 4.3 0.02 1 292 32 32 LEU HB2 H 1.63 0.02 1 293 32 32 LEU HB3 H 1.49 0.02 1 294 32 32 LEU HG H 1.53 0.02 1 295 32 32 LEU HD1 H 0.85 0.02 1 296 32 32 LEU HD2 H 0.83 0.02 1 297 32 32 LEU C C 177.4 0.2 1 298 32 32 LEU CA C 55.2 0.2 1 299 32 32 LEU CB C 42.4 0.2 1 300 32 32 LEU CG C 26.8 0.2 1 301 32 32 LEU CD1 C 25 0.2 1 302 32 32 LEU CD2 C 23.6 0.2 1 303 32 32 LEU N N 122.5 0.2 1 304 33 33 SER H H 8.29 0.02 1 305 33 33 SER HA H 4.7 0.02 1 306 33 33 SER HB2 H 3.83 0.02 1 307 33 33 SER HB3 H 3.83 0.02 1 308 33 33 SER C C 172.4 0.2 1 309 33 33 SER CA C 56.3 0.2 1 310 33 33 SER CB C 63.4 0.2 1 311 33 33 SER N N 117.9 0.2 1 312 34 34 PRO HA H 4.4 0.02 1 313 34 34 PRO HB2 H 2.26 0.02 1 314 34 34 PRO HB3 H 1.88 0.02 1 315 34 34 PRO HG2 H 1.97 0.02 1 316 34 34 PRO HG3 H 1.97 0.02 1 317 34 34 PRO HD2 H 3.66 0.02 1 318 34 34 PRO HD3 H 3.66 0.02 1 319 34 34 PRO C C 176.7 0.2 1 320 34 34 PRO CA C 63 0.2 1 321 34 34 PRO CB C 32.1 0.2 1 322 34 34 PRO CG C 27.5 0.2 1 323 34 34 PRO CD C 50.5 0.2 1 324 35 35 LYS H H 8.39 0.02 1 325 35 35 LYS C C 174.6 0.2 1 326 35 35 LYS CA C 54.2 0.2 1 327 35 35 LYS CB C 32.4 0.2 1 328 35 35 LYS N N 123.1 0.2 1 329 36 36 PRO HA H 4.42 0.02 1 330 36 36 PRO HB2 H 2.25 0.02 1 331 36 36 PRO HB3 H 1.86 0.02 1 332 36 36 PRO HG2 H 1.96 0.02 1 333 36 36 PRO HG3 H 1.96 0.02 1 334 36 36 PRO HD2 H 3.64 0.02 1 335 36 36 PRO HD3 H 3.64 0.02 1 336 36 36 PRO C C 177 0.2 1 337 36 36 PRO CA C 63.1 0.2 1 338 36 36 PRO CB C 32 0.2 1 339 36 36 PRO CG C 27.3 0.2 1 340 36 36 PRO CD C 50.4 0.2 1 341 37 37 SER H H 8.45 0.02 1 342 37 37 SER HA H 4.39 0.02 1 343 37 37 SER HB2 H 3.83 0.02 1 344 37 37 SER HB3 H 3.83 0.02 1 345 37 37 SER C C 174.1 0.2 1 346 37 37 SER CA C 58.3 0.2 1 347 37 37 SER CB C 64 0.2 1 348 37 37 SER N N 116.5 0.2 1 349 38 38 SER H H 8.33 0.02 1 350 38 38 SER HA H 4.71 0.02 1 351 38 38 SER HB2 H 3.81 0.02 1 352 38 38 SER HB3 H 3.81 0.02 1 353 38 38 SER C C 172.7 0.2 1 354 38 38 SER CA C 56.4 0.2 1 355 38 38 SER CB C 63.5 0.2 1 356 38 38 SER N N 118.4 0.2 1 357 39 39 PRO HA H 4.39 0.02 1 358 39 39 PRO HB2 H 2.27 0.02 1 359 39 39 PRO HB3 H 1.94 0.02 1 360 39 39 PRO HG2 H 1.99 0.02 1 361 39 39 PRO HG3 H 1.99 0.02 1 362 39 39 PRO HD2 H 3.81 0.02 1 363 39 39 PRO HD3 H 3.81 0.02 1 364 39 39 PRO C C 177.6 0.2 1 365 39 39 PRO CA C 63.8 0.2 1 366 39 39 PRO CB C 32 0.2 1 367 39 39 PRO CG C 27.4 0.2 1 368 39 39 PRO CD C 50.7 0.2 1 369 40 40 GLY H H 8.47 0.02 1 370 40 40 GLY HA2 H 3.92 0.02 1 371 40 40 GLY HA3 H 3.92 0.02 1 372 40 40 GLY C C 174.2 0.2 1 373 40 40 GLY CA C 45.3 0.2 1 374 40 40 GLY N N 109 0.2 1 375 41 41 SER H H 8.08 0.02 1 376 41 41 SER HA H 4.42 0.02 1 377 41 41 SER HB2 H 3.82 0.02 1 378 41 41 SER HB3 H 3.82 0.02 1 379 41 41 SER C C 174.7 0.2 1 380 41 41 SER CA C 58.4 0.2 1 381 41 41 SER CB C 64.1 0.2 1 382 41 41 SER N N 115.5 0.2 1 383 42 42 VAL H H 8.13 0.02 1 384 42 42 VAL HA H 4.1 0.02 1 385 42 42 VAL HB H 2.06 0.02 1 386 42 42 VAL HG1 H 0.9 0.02 1 387 42 42 VAL HG2 H 0.9 0.02 1 388 42 42 VAL C C 176.2 0.2 1 389 42 42 VAL CA C 62.4 0.2 1 390 42 42 VAL CB C 32.7 0.2 1 391 42 42 VAL CG1 C 20.6 0.2 1 392 42 42 VAL CG2 C 20.6 0.2 1 393 42 42 VAL N N 121.8 0.2 1 394 43 43 LEU H H 8.21 0.02 1 395 43 43 LEU HA H 4.29 0.02 1 396 43 43 LEU HB2 H 1.59 0.02 1 397 43 43 LEU HB3 H 1.48 0.02 1 398 43 43 LEU HD1 H 0.85 0.02 1 399 43 43 LEU HD2 H 0.8 0.02 1 400 43 43 LEU C C 176.7 0.2 1 401 43 43 LEU CA C 55 0.2 1 402 43 43 LEU CB C 42.4 0.2 1 403 43 43 LEU CG C 26.9 0.2 1 404 43 43 LEU CD1 C 24.9 0.2 1 405 43 43 LEU CD2 C 23.5 0.2 1 406 43 43 LEU N N 125.7 0.2 1 407 44 44 ALA H H 8.19 0.02 1 408 44 44 ALA HA H 4.25 0.02 1 409 44 44 ALA HB H 1.32 0.02 1 410 44 44 ALA C C 177.1 0.2 1 411 44 44 ALA CA C 52.3 0.2 1 412 44 44 ALA CB C 19.2 0.2 1 413 44 44 ALA N N 125.2 0.2 1 414 45 45 ARG H H 8.24 0.02 1 415 45 45 ARG HA H 4.6 0.02 1 416 45 45 ARG HB2 H 1.8 0.02 1 417 45 45 ARG HB3 H 1.68 0.02 1 418 45 45 ARG HG2 H 1.59 0.02 1 419 45 45 ARG HG3 H 1.59 0.02 1 420 45 45 ARG HD2 H 2.64 0.02 1 421 45 45 ARG HD3 H 2.64 0.02 1 422 45 45 ARG HE H 7.15 0.02 1 423 45 45 ARG C C 174.1 0.2 1 424 45 45 ARG CA C 53.8 0.2 1 425 45 45 ARG CB C 30.2 0.2 1 426 45 45 ARG CG C 26.7 0.2 1 427 45 45 ARG CD C 41.1 0.2 1 428 45 45 ARG N N 121.5 0.2 1 429 45 45 ARG NE N 84.6 0.2 1 430 46 46 PRO HA H 4.42 0.02 1 431 46 46 PRO HB2 H 2.28 0.02 1 432 46 46 PRO HB3 H 1.87 0.02 1 433 46 46 PRO HG2 H 1.95 0.02 1 434 46 46 PRO HG3 H 1.95 0.02 1 435 46 46 PRO HD2 H 3.64 0.02 1 436 46 46 PRO HD3 H 3.64 0.02 1 437 46 46 PRO C C 176.8 0.2 1 438 46 46 PRO CA C 63.1 0.2 1 439 46 46 PRO CB C 32.1 0.2 1 440 46 46 PRO CG C 27.2 0.2 1 441 46 46 PRO CD C 50.4 0.2 1 442 47 47 SER H H 8.42 0.02 1 443 47 47 SER HA H 4.45 0.02 1 444 47 47 SER HB2 H 3.83 0.02 1 445 47 47 SER HB3 H 3.83 0.02 1 446 47 47 SER C C 174.4 0.2 1 447 47 47 SER CA C 58.4 0.2 1 448 47 47 SER CB C 64 0.2 1 449 47 47 SER N N 116.4 0.2 1 450 48 48 VAL H H 8.12 0.02 1 451 48 48 VAL HA H 4.11 0.02 1 452 48 48 VAL HB H 2.01 0.02 1 453 48 48 VAL HG1 H 0.89 0.02 1 454 48 48 VAL HG2 H 0.89 0.02 1 455 48 48 VAL C C 176 0.2 1 456 48 48 VAL CA C 62.3 0.2 1 457 48 48 VAL CB C 32.7 0.2 1 458 48 48 VAL CG1 C 20.6 0.2 1 459 48 48 VAL CG2 C 20.6 0.2 1 460 48 48 VAL N N 122 0.2 1 461 49 49 ILE H H 8.23 0.02 1 462 49 49 ILE HA H 4.09 0.02 1 463 49 49 ILE HB H 1.75 0.02 1 464 49 49 ILE HG12 H 1.41 0.02 1 465 49 49 ILE HG13 H 1.14 0.02 1 466 49 49 ILE HG2 H 0.86 0.02 1 467 49 49 ILE HD1 H 0.8 0.02 1 468 49 49 ILE C C 175.9 0.2 1 469 49 49 ILE CA C 60.9 0.2 1 470 49 49 ILE CB C 38.5 0.2 1 471 49 49 ILE CG1 C 27.2 0.2 1 472 49 49 ILE CG2 C 17.4 0.2 1 473 49 49 ILE CD1 C 12.8 0.2 1 474 49 49 ILE N N 124.9 0.2 1 475 50 50 CYS H H 8.43 0.02 1 476 50 50 CYS HA H 4.47 0.02 1 477 50 50 CYS HB2 H 2.87 0.02 1 478 50 50 CYS HB3 H 2.87 0.02 1 479 50 50 CYS C C 174.1 0.2 1 480 50 50 CYS CA C 58.3 0.2 1 481 50 50 CYS CB C 28 0.2 1 482 50 50 CYS N N 124.4 0.2 1 483 51 51 HIS HD2 H 7.12 0.02 1 484 51 51 HIS CD2 C 120.1 0.2 1 485 52 52 THR HA H 4.16 0.02 1 486 52 52 THR HB H 3.06 0.02 1 487 52 52 THR HG2 H 1.13 0.02 1 488 52 52 THR C C 174.4 0.2 1 489 52 52 THR CA C 61.8 0.2 1 490 52 52 THR CB C 69.9 0.2 1 491 52 52 THR CG2 C 21.3 0.2 1 492 53 53 THR H H 8.24 0.02 1 493 53 53 THR HA H 4.29 0.02 1 494 53 53 THR HB H 4.14 0.02 1 495 53 53 THR HG2 H 1.13 0.02 1 496 53 53 THR C C 174.3 0.2 1 497 53 53 THR CA C 62.1 0.2 1 498 53 53 THR CB C 70 0.2 1 499 53 53 THR CG2 C 21.4 0.2 1 500 53 53 THR N N 117.3 0.2 1 501 54 54 VAL H H 8.26 0.02 1 502 54 54 VAL HA H 4.14 0.02 1 503 54 54 VAL HB H 2.04 0.02 1 504 54 54 VAL HG1 H 0.91 0.02 1 505 54 54 VAL HG2 H 0.91 0.02 1 506 54 54 VAL C C 176.3 0.2 1 507 54 54 VAL CA C 62.5 0.2 1 508 54 54 VAL CB C 32.7 0.2 1 509 54 54 VAL CG1 C 20.7 0.2 1 510 54 54 VAL CG2 C 20.7 0.2 1 511 54 54 VAL N N 123.2 0.2 1 512 55 55 THR H H 8.21 0.02 1 513 55 55 THR HA H 4.2 0.02 1 514 55 55 THR HB H 4.24 0.02 1 515 55 55 THR HG2 H 1.16 0.02 1 516 55 55 THR C C 173.9 0.2 1 517 55 55 THR CA C 62.1 0.2 1 518 55 55 THR CB C 70 0.2 1 519 55 55 THR CG2 C 21.6 0.2 1 520 55 55 THR N N 118.9 0.2 1 521 56 56 ALA H H 8.31 0.02 1 522 56 56 ALA HA H 4.26 0.02 1 523 56 56 ALA HB H 1.32 0.02 1 524 56 56 ALA C C 177.5 0.2 1 525 56 56 ALA CA C 52.4 0.2 1 526 56 56 ALA CB C 19.3 0.2 1 527 56 56 ALA N N 126.9 0.2 1 528 57 57 LEU H H 8.19 0.02 1 529 57 57 LEU HA H 4.26 0.02 1 530 57 57 LEU HB2 H 1.57 0.02 1 531 57 57 LEU HB3 H 1.33 0.02 1 532 57 57 LEU HG H 1.58 0.02 1 533 57 57 LEU HD1 H 0.87 0.02 1 534 57 57 LEU HD2 H 0.82 0.02 1 535 57 57 LEU C C 177.6 0.2 1 536 57 57 LEU CA C 55.2 0.2 1 537 57 57 LEU CB C 42.3 0.2 1 538 57 57 LEU CG C 26.7 0.2 1 539 57 57 LEU CD1 C 24.8 0.2 1 540 57 57 LEU CD2 C 23.4 0.2 1 541 57 57 LEU N N 121.8 0.2 1 542 58 58 LYS H H 8.21 0.02 1 543 58 58 LYS HA H 4.33 0.02 1 544 58 58 LYS HB2 H 1.71 0.02 1 545 58 58 LYS HB3 H 1.71 0.02 1 546 58 58 LYS HG2 H 1.64 0.02 1 547 58 58 LYS HG3 H 1.64 0.02 1 548 58 58 LYS HD2 H 1.39 0.02 1 549 58 58 LYS HD3 H 1.39 0.02 1 550 58 58 LYS C C 176 0.2 1 551 58 58 LYS CA C 56.3 0.2 1 552 58 58 LYS CB C 33.1 0.2 1 553 58 58 LYS CG C 24.7 0.2 1 554 58 58 LYS CD C 28.9 0.2 1 555 58 58 LYS CE C 42.2 0.2 1 556 58 58 LYS N N 121.3 0.2 1 557 59 59 ASP H H 8.25 0.02 1 558 59 59 ASP HA H 4.56 0.02 1 559 59 59 ASP HB2 H 2.68 0.02 1 560 59 59 ASP HB3 H 2.5 0.02 1 561 59 59 ASP C C 175.7 0.2 1 562 59 59 ASP CA C 54.3 0.2 1 563 59 59 ASP CB C 41.1 0.2 1 564 59 59 ASP N N 120.8 0.2 1 565 60 60 VAL H H 7.97 0.02 1 566 60 60 VAL HA H 4.34 0.02 1 567 60 60 VAL HB H 2 0.02 1 568 60 60 VAL HG1 H 0.9 0.02 1 569 60 60 VAL HG2 H 0.9 0.02 1 570 60 60 VAL C C 174.4 0.2 1 571 60 60 VAL CA C 60 0.2 1 572 60 60 VAL CB C 32.6 0.2 1 573 60 60 VAL CG1 C 20.8 0.2 1 574 60 60 VAL CG2 C 20.8 0.2 1 575 60 60 VAL N N 121.4 0.2 1 576 61 61 PRO HA H 4.33 0.02 1 577 61 61 PRO HB2 H 2.18 0.02 1 578 61 61 PRO HB3 H 1.78 0.02 1 579 61 61 PRO HG2 H 1.99 0.02 1 580 61 61 PRO HG3 H 1.99 0.02 1 581 61 61 PRO HD2 H 3.77 0.02 1 582 61 61 PRO HD3 H 3.77 0.02 1 583 61 61 PRO C C 176.7 0.2 1 584 61 61 PRO CA C 63.2 0.2 1 585 61 61 PRO CB C 32 0.2 1 586 61 61 PRO CG C 27.1 0.2 1 587 61 61 PRO CD C 50.9 0.2 1 588 62 62 PHE H H 8.26 0.02 1 589 62 62 PHE HA H 4.54 0.02 1 590 62 62 PHE HB2 H 3.12 0.02 1 591 62 62 PHE HB3 H 3.02 0.02 1 592 62 62 PHE C C 175.8 0.2 1 593 62 62 PHE CA C 58.3 0.2 1 594 62 62 PHE CB C 39.5 0.2 1 595 62 62 PHE N N 120.7 0.2 1 596 63 63 SER H H 8.04 0.02 1 597 63 63 SER HA H 4.32 0.02 1 598 63 63 SER HB2 H 3.74 0.02 1 599 63 63 SER HB3 H 3.74 0.02 1 600 63 63 SER C C 174.1 0.2 1 601 63 63 SER CA C 57.9 0.2 1 602 63 63 SER CB C 64.1 0.2 1 603 63 63 SER N N 116.9 0.2 1 604 64 64 LEU H H 8.2 0.02 1 605 64 64 LEU HA H 4.31 0.02 1 606 64 64 LEU HB2 H 1.6 0.02 1 607 64 64 LEU HB3 H 1.6 0.02 1 608 64 64 LEU HG H 1.52 0.02 1 609 64 64 LEU HD1 H 0.88 0.02 1 610 64 64 LEU HD2 H 0.83 0.02 1 611 64 64 LEU C C 177.4 0.2 1 612 64 64 LEU CA C 55.4 0.2 1 613 64 64 LEU CB C 42.4 0.2 1 614 64 64 LEU CG C 26.7 0.2 1 615 64 64 LEU CD1 C 24.8 0.2 1 616 64 64 LEU CD2 C 23.4 0.2 1 617 64 64 LEU N N 124 0.2 1 618 65 65 CYS H H 8.23 0.02 1 619 65 65 CYS HA H 4.29 0.02 1 620 65 65 CYS HB2 H 2.92 0.02 1 621 65 65 CYS HB3 H 2.92 0.02 1 622 65 65 CYS C C 175.8 0.2 1 623 65 65 CYS CA C 58.9 0.2 1 624 65 65 CYS CB C 27.8 0.2 1 625 65 65 CYS N N 119.4 0.2 1 626 66 66 GLN H H 8.39 0.02 1 627 66 66 GLN HA H 4.33 0.02 1 628 66 66 GLN HB2 H 2.1 0.02 1 629 66 66 GLN HB3 H 1.93 0.02 1 630 66 66 GLN HG2 H 2.34 0.02 1 631 66 66 GLN HG3 H 2.34 0.02 1 632 66 66 GLN HE21 H 7.49 0.02 1 633 66 66 GLN HE22 H 6.83 0.02 1 634 66 66 GLN C C 175.9 0.2 1 635 66 66 GLN CA C 56.2 0.2 1 636 66 66 GLN CB C 29.4 0.2 1 637 66 66 GLN CG C 33.7 0.2 1 638 66 66 GLN N N 122.6 0.2 1 639 66 66 GLN NE2 N 111.9 0.2 1 640 67 67 SER H H 8.31 0.02 1 641 67 67 SER HA H 4.43 0.02 1 642 67 67 SER HB2 H 3.81 0.02 1 643 67 67 SER HB3 H 3.81 0.02 1 644 67 67 SER C C 174.3 0.2 1 645 67 67 SER CA C 58.5 0.2 1 646 67 67 SER CB C 64 0.2 1 647 67 67 SER N N 117.2 0.2 1 648 68 68 VAL H H 8.15 0.02 1 649 68 68 VAL HA H 4.14 0.02 1 650 68 68 VAL HB H 2.07 0.02 1 651 68 68 VAL HG1 H 0.89 0.02 1 652 68 68 VAL HG2 H 0.89 0.02 1 653 68 68 VAL C C 176.4 0.2 1 654 68 68 VAL CA C 62.5 0.2 1 655 68 68 VAL CB C 32.8 0.2 1 656 68 68 VAL CG1 C 20.9 0.2 1 657 68 68 VAL CG2 C 20.9 0.2 1 658 68 68 VAL N N 121.4 0.2 1 659 69 69 GLY H H 8.43 0.02 1 660 69 69 GLY HA2 H 4.01 0.02 1 661 69 69 GLY HA3 H 3.88 0.02 1 662 69 69 GLY C C 174.1 0.2 1 663 69 69 GLY CA C 45.2 0.2 1 664 69 69 GLY N N 112.3 0.2 1 665 70 70 VAL H H 8.03 0.02 1 666 70 70 VAL HA H 4.12 0.02 1 667 70 70 VAL HB H 2.06 0.02 1 668 70 70 VAL HG1 H 0.9 0.02 1 669 70 70 VAL HG2 H 0.9 0.02 1 670 70 70 VAL C C 176.9 0.2 1 671 70 70 VAL CA C 62.5 0.2 1 672 70 70 VAL CB C 32.6 0.2 1 673 70 70 VAL CG1 C 20.8 0.2 1 674 70 70 VAL CG2 C 20.8 0.2 1 675 70 70 VAL N N 119 0.2 1 676 71 71 GLY H H 8.54 0.02 1 677 71 71 GLY HA2 H 4.3 0.02 1 678 71 71 GLY HA3 H 3.92 0.02 1 679 71 71 GLY C C 174.1 0.2 1 680 71 71 GLY CA C 45.3 0.2 1 681 71 71 GLY N N 112.5 0.2 1 682 72 72 GLN H H 8.23 0.02 1 683 72 72 GLN HA H 4.31 0.02 1 684 72 72 GLN HB2 H 2.06 0.02 1 685 72 72 GLN HB3 H 1.94 0.02 1 686 72 72 GLN HG2 H 2.29 0.02 1 687 72 72 GLN HG3 H 2.29 0.02 1 688 72 72 GLN C C 175.8 0.2 1 689 72 72 GLN CA C 55.7 0.2 1 690 72 72 GLN CB C 29.6 0.2 1 691 72 72 GLN CG C 33.8 0.2 1 692 72 72 GLN N N 119.5 0.2 1 693 73 73 ASN H H 8.56 0.02 1 694 73 73 ASN HA H 4.77 0.02 1 695 73 73 ASN HB2 H 2.88 0.02 1 696 73 73 ASN HB3 H 2.71 0.02 1 697 73 73 ASN HD21 H 7.64 0.02 1 698 73 73 ASN HD22 H 6.88 0.02 1 699 73 73 ASN C C 175.5 0.2 1 700 73 73 ASN CA C 53.5 0.2 1 701 73 73 ASN CB C 38.8 0.2 1 702 73 73 ASN N N 120 0.2 1 703 73 73 ASN ND2 N 113.1 0.2 1 704 74 74 THR H H 8.16 0.02 1 705 74 74 THR HA H 4.28 0.02 1 706 74 74 THR HB H 4.22 0.02 1 707 74 74 THR HG2 H 1.16 0.02 1 708 74 74 THR C C 174.7 0.2 1 709 74 74 THR CA C 62.1 0.2 1 710 74 74 THR CB C 69.7 0.2 1 711 74 74 THR CG2 C 21.5 0.2 1 712 74 74 THR N N 114.5 0.2 1 713 75 75 ASP H H 8.37 0.02 1 714 75 75 ASP HA H 4.58 0.02 1 715 75 75 ASP HB2 H 2.71 0.02 1 716 75 75 ASP HB3 H 2.58 0.02 1 717 75 75 ASP C C 176.5 0.2 1 718 75 75 ASP CA C 54.6 0.2 1 719 75 75 ASP CB C 41 0.2 1 720 75 75 ASP N N 122.8 0.2 1 721 76 76 ILE H H 8.02 0.02 1 722 76 76 ILE HA H 4.07 0.02 1 723 76 76 ILE HB H 1.85 0.02 1 724 76 76 ILE HG12 H 1.42 0.02 1 725 76 76 ILE HG13 H 1.13 0.02 1 726 76 76 ILE HG2 H 0.87 0.02 1 727 76 76 ILE HD1 H 0.82 0.02 1 728 76 76 ILE C C 176.6 0.2 1 729 76 76 ILE CA C 61.8 0.2 1 730 76 76 ILE CB C 38.6 0.2 1 731 76 76 ILE CG1 C 27.4 0.2 1 732 76 76 ILE CG2 C 17.6 0.2 1 733 76 76 ILE CD1 C 13.1 0.2 1 734 76 76 ILE N N 120.7 0.2 1 735 77 77 GLN H H 8.35 0.02 1 736 77 77 GLN HA H 4.24 0.02 1 737 77 77 GLN HB2 H 2.1 0.02 1 738 77 77 GLN HB3 H 1.96 0.02 1 739 77 77 GLN HG2 H 2.34 0.02 1 740 77 77 GLN HG3 H 2.34 0.02 1 741 77 77 GLN C C 176.3 0.2 1 742 77 77 GLN CA C 56.3 0.2 1 743 77 77 GLN CB C 29.2 0.2 1 744 77 77 GLN CG C 33.8 0.2 1 745 77 77 GLN N N 123.2 0.2 1 746 78 78 GLN H H 8.3 0.02 1 747 78 78 GLN HA H 4.26 0.02 1 748 78 78 GLN HB2 H 2.05 0.02 1 749 78 78 GLN HB3 H 1.96 0.02 1 750 78 78 GLN HG2 H 2.33 0.02 1 751 78 78 GLN HG3 H 2.33 0.02 1 752 78 78 GLN C C 176.2 0.2 1 753 78 78 GLN CA C 56.2 0.2 1 754 78 78 GLN CB C 29.2 0.2 1 755 78 78 GLN CG C 33.7 0.2 1 756 78 78 GLN N N 121.2 0.2 1 757 79 79 ILE H H 8.1 0.02 1 758 79 79 ILE HA H 4.05 0.02 1 759 79 79 ILE HB H 1.81 0.02 1 760 79 79 ILE HG12 H 1.41 0.02 1 761 79 79 ILE HG13 H 1.13 0.02 1 762 79 79 ILE HG2 H 0.86 0.02 1 763 79 79 ILE HD1 H 0.81 0.02 1 764 79 79 ILE C C 176.2 0.2 1 765 79 79 ILE CA C 61.6 0.2 1 766 79 79 ILE CB C 38.6 0.2 1 767 79 79 ILE CG1 C 27.4 0.2 1 768 79 79 ILE CG2 C 17.5 0.2 1 769 79 79 ILE CD1 C 13 0.2 1 770 79 79 ILE N N 121.9 0.2 1 771 80 80 ALA H H 8.28 0.02 1 772 80 80 ALA HA H 4.23 0.02 1 773 80 80 ALA HB H 1.34 0.02 1 774 80 80 ALA C C 177.5 0.2 1 775 80 80 ALA CA C 52.6 0.2 1 776 80 80 ALA CB C 19.1 0.2 1 777 80 80 ALA N N 127.5 0.2 1 778 81 81 ALA H H 8.14 0.02 1 779 81 81 ALA HA H 4.21 0.02 1 780 81 81 ALA HB H 1.35 0.02 1 781 81 81 ALA C C 177.6 0.2 1 782 81 81 ALA CA C 52.8 0.2 1 783 81 81 ALA CB C 19.2 0.2 1 784 81 81 ALA N N 123 0.2 1 785 82 82 LYS H H 8.15 0.02 1 786 82 82 LYS HA H 4.19 0.02 1 787 82 82 LYS HB2 H 1.67 0.02 1 788 82 82 LYS HB3 H 1.67 0.02 1 789 82 82 LYS HG2 H 1.3 0.02 1 790 82 82 LYS HG3 H 1.3 0.02 1 791 82 82 LYS HD2 H 1.63 0.02 1 792 82 82 LYS HD3 H 1.63 0.02 1 793 82 82 LYS HE2 H 2.94 0.02 1 794 82 82 LYS HE3 H 2.94 0.02 1 795 82 82 LYS C C 176.1 0.2 1 796 82 82 LYS CA C 56.4 0.2 1 797 82 82 LYS CB C 32.9 0.2 1 798 82 82 LYS CG C 24.6 0.2 1 799 82 82 LYS CD C 29 0.2 1 800 82 82 LYS CE C 42.1 0.2 1 801 82 82 LYS N N 120 0.2 1 802 83 83 ASN H H 8.26 0.02 1 803 83 83 ASN HA H 4.63 0.02 1 804 83 83 ASN HB2 H 2.72 0.02 1 805 83 83 ASN HB3 H 2.63 0.02 1 806 83 83 ASN HD21 H 7.54 0.02 1 807 83 83 ASN HD22 H 6.85 0.02 1 808 83 83 ASN C C 174.8 0.2 1 809 83 83 ASN CA C 53.2 0.2 1 810 83 83 ASN CB C 39 0.2 1 811 83 83 ASN N N 119.1 0.2 1 812 83 83 ASN ND2 N 112.2 0.2 1 813 84 84 PHE H H 8.18 0.02 1 814 84 84 PHE HA H 4.63 0.02 1 815 84 84 PHE HB2 H 3.13 0.02 1 816 84 84 PHE HB3 H 3 0.02 1 817 84 84 PHE C C 175.8 0.2 1 818 84 84 PHE CA C 58 0.2 1 819 84 84 PHE CB C 39.6 0.2 1 820 84 84 PHE N N 120.7 0.2 1 821 85 85 THR H H 8.07 0.02 1 822 85 85 THR HA H 4.25 0.02 1 823 85 85 THR HB H 4.16 0.02 1 824 85 85 THR HG2 H 1.16 0.02 1 825 85 85 THR C C 173.8 0.2 1 826 85 85 THR CA C 62 0.2 1 827 85 85 THR CB C 70 0.2 1 828 85 85 THR CG2 C 21.6 0.2 1 829 85 85 THR N N 115.6 0.2 1 830 86 86 ASP H H 8.27 0.02 1 831 86 86 ASP HA H 4.61 0.02 1 832 86 86 ASP HB2 H 2.76 0.02 1 833 86 86 ASP HB3 H 2.6 0.02 1 834 86 86 ASP C C 176.9 0.2 1 835 86 86 ASP CA C 54.3 0.2 1 836 86 86 ASP CB C 41.1 0.2 1 837 86 86 ASP N N 123.1 0.2 1 838 87 87 THR H H 8.23 0.02 1 839 87 87 THR HA H 4.3 0.02 1 840 87 87 THR HB H 4.33 0.02 1 841 87 87 THR HG2 H 1.15 0.02 1 842 87 87 THR C C 175.2 0.2 1 843 87 87 THR CA C 62.6 0.2 1 844 87 87 THR CB C 69.4 0.2 1 845 87 87 THR CG2 C 21.6 0.2 1 846 87 87 THR N N 115.3 0.2 1 847 88 88 SER H H 8.38 0.02 1 848 88 88 SER HA H 4.31 0.02 1 849 88 88 SER HB2 H 3.84 0.02 1 850 88 88 SER HB3 H 3.84 0.02 1 851 88 88 SER C C 174.6 0.2 1 852 88 88 SER CA C 59.5 0.2 1 853 88 88 SER CB C 63.7 0.2 1 854 88 88 SER N N 118.3 0.2 1 855 89 89 LEU H H 7.88 0.02 1 856 89 89 LEU HA H 4.3 0.02 1 857 89 89 LEU HB2 H 1.56 0.02 1 858 89 89 LEU HB3 H 1.41 0.02 1 859 89 89 LEU HG H 1.57 0.02 1 860 89 89 LEU HD1 H 0.88 0.02 1 861 89 89 LEU HD2 H 0.82 0.02 1 862 89 89 LEU C C 176.9 0.2 1 863 89 89 LEU CA C 55.1 0.2 1 864 89 89 LEU CB C 42.1 0.2 1 865 89 89 LEU CG C 26.8 0.2 1 866 89 89 LEU CD1 C 24.9 0.2 1 867 89 89 LEU CD2 C 23.4 0.2 1 868 89 89 LEU N N 122.7 0.2 1 869 90 90 MET H H 7.93 0.02 1 870 90 90 MET HA H 4.27 0.02 1 871 90 90 MET HB2 H 1.8 0.02 1 872 90 90 MET HB3 H 1.8 0.02 1 873 90 90 MET HG2 H 2.38 0.02 1 874 90 90 MET HG3 H 2.29 0.02 1 875 90 90 MET C C 175.3 0.2 1 876 90 90 MET CA C 55.6 0.2 1 877 90 90 MET CB C 33.2 0.2 1 878 90 90 MET CG C 31.9 0.2 1 879 90 90 MET N N 119.8 0.2 1 880 91 91 TYR H H 8.11 0.02 1 881 91 91 TYR HA H 4.84 0.02 1 882 91 91 TYR HB2 H 3.06 0.02 1 883 91 91 TYR HB3 H 2.79 0.02 1 884 91 91 TYR HD1 H 7.13 0.02 1 885 91 91 TYR HD2 H 7.13 0.02 1 886 91 91 TYR HE1 H 6.78 0.02 1 887 91 91 TYR HE2 H 6.78 0.02 1 888 91 91 TYR C C 173.9 0.2 1 889 91 91 TYR CA C 55.5 0.2 1 890 91 91 TYR CB C 38.2 0.2 1 891 91 91 TYR CD1 C 133.5 0.2 1 892 91 91 TYR CD2 C 133.5 0.2 1 893 91 91 TYR CE1 C 118.1 0.2 1 894 91 91 TYR CE2 C 118.1 0.2 1 895 91 91 TYR N N 120.9 0.2 1 896 92 92 PRO HA H 4.38 0.02 1 897 92 92 PRO HB2 H 2.24 0.02 1 898 92 92 PRO HB3 H 1.92 0.02 1 899 92 92 PRO C C 177.2 0.2 1 900 92 92 PRO CA C 63.3 0.2 1 901 92 92 PRO CB C 32 0.2 1 902 93 93 GLU H H 8.59 0.02 1 903 93 93 GLU HA H 4.27 0.02 1 904 93 93 GLU HB2 H 2.02 0.02 1 905 93 93 GLU HB3 H 1.92 0.02 1 906 93 93 GLU HG2 H 2.26 0.02 1 907 93 93 GLU HG3 H 2.26 0.02 1 908 93 93 GLU C C 176.4 0.2 1 909 93 93 GLU CA C 56.9 0.2 1 910 93 93 GLU CB C 30.2 0.2 1 911 93 93 GLU CG C 36.2 0.2 1 912 93 93 GLU N N 120.7 0.2 1 913 94 94 ASP H H 8.41 0.02 1 914 94 94 ASP HA H 4.63 0.02 1 915 94 94 ASP HB2 H 2.77 0.02 1 916 94 94 ASP HB3 H 2.64 0.02 1 917 94 94 ASP C C 176.8 0.2 1 918 94 94 ASP CA C 54.5 0.2 1 919 94 94 ASP CB C 41.2 0.2 1 920 94 94 ASP N N 121.4 0.2 1 921 95 95 THR H H 8.1 0.02 1 922 95 95 THR HA H 4.26 0.02 1 923 95 95 THR HB H 4.23 0.02 1 924 95 95 THR HG2 H 1.15 0.02 1 925 95 95 THR C C 175 0.2 1 926 95 95 THR CA C 62.4 0.2 1 927 95 95 THR CB C 69.7 0.2 1 928 95 95 THR CG2 C 21.5 0.2 1 929 95 95 THR N N 114.2 0.2 1 930 96 96 CYS H H 8.37 0.02 1 931 96 96 CYS HA H 4.42 0.02 1 932 96 96 CYS HB2 H 2.91 0.02 1 933 96 96 CYS HB3 H 2.91 0.02 1 934 96 96 CYS C C 174.9 0.2 1 935 96 96 CYS CA C 59.1 0.2 1 936 96 96 CYS CB C 27.5 0.2 1 937 96 96 CYS N N 121.2 0.2 1 938 97 97 LYS H H 8.32 0.02 1 939 97 97 LYS HA H 4.33 0.02 1 940 97 97 LYS HB2 H 1.84 0.02 1 941 97 97 LYS HB3 H 1.69 0.02 1 942 97 97 LYS HG2 H 1.36 0.02 1 943 97 97 LYS HG3 H 1.36 0.02 1 944 97 97 LYS HD2 H 1.62 0.02 1 945 97 97 LYS HD3 H 1.62 0.02 1 946 97 97 LYS HE2 H 2.95 0.02 1 947 97 97 LYS HE3 H 2.95 0.02 1 948 97 97 LYS C C 176.5 0.2 1 949 97 97 LYS CA C 56.4 0.2 1 950 97 97 LYS CB C 32.8 0.2 1 951 97 97 LYS CG C 24.6 0.2 1 952 97 97 LYS CD C 29.1 0.2 1 953 97 97 LYS CE C 42 0.2 1 954 97 97 LYS N N 123.6 0.2 1 955 98 98 SER H H 8.25 0.02 1 956 98 98 SER HA H 4.46 0.02 1 957 98 98 SER HB2 H 3.84 0.02 1 958 98 98 SER HB3 H 3.84 0.02 1 959 98 98 SER C C 174.4 0.2 1 960 98 98 SER CA C 58.3 0.2 1 961 98 98 SER CB C 64.1 0.2 1 962 98 98 SER N N 116.4 0.2 1 963 99 99 GLY H H 8.22 0.02 1 964 99 99 GLY HA2 H 4.13 0.02 1 965 99 99 GLY HA3 H 4.07 0.02 1 966 99 99 GLY C C 171.1 0.2 1 967 99 99 GLY CA C 44.7 0.2 1 968 99 99 GLY N N 110.6 0.2 1 969 100 100 PRO HA H 4.43 0.02 1 970 100 100 PRO HB2 H 2.26 0.02 1 971 100 100 PRO HB3 H 1.92 0.02 1 972 100 100 PRO HG2 H 1.97 0.02 1 973 100 100 PRO HG3 H 1.97 0.02 1 974 100 100 PRO HD2 H 3.58 0.02 1 975 100 100 PRO HD3 H 3.58 0.02 1 976 100 100 PRO C C 177.4 0.2 1 977 100 100 PRO CA C 63.2 0.2 1 978 100 100 PRO CB C 32.2 0.2 1 979 100 100 PRO CG C 27 0.2 1 980 100 100 PRO CD C 50.1 0.2 1 981 101 101 SER H H 8.5 0.02 1 982 101 101 SER HA H 4.47 0.02 1 983 101 101 SER HB2 H 3.86 0.02 1 984 101 101 SER HB3 H 3.86 0.02 1 985 101 101 SER C C 175 0.2 1 986 101 101 SER CA C 58.4 0.2 1 987 101 101 SER CB C 64 0.2 1 988 101 101 SER N N 116 0.2 1 989 102 102 THR H H 8.17 0.02 1 990 102 102 THR HA H 4.26 0.02 1 991 102 102 THR HB H 4.23 0.02 1 992 102 102 THR HG2 H 1.15 0.02 1 993 102 102 THR C C 174.3 0.2 1 994 102 102 THR CA C 62 0.2 1 995 102 102 THR CB C 69.9 0.2 1 996 102 102 THR CG2 C 21.5 0.2 1 997 102 102 THR N N 115.4 0.2 1 998 103 103 ASN H H 8.44 0.02 1 999 103 103 ASN HA H 4.73 0.02 1 1000 103 103 ASN HB2 H 2.82 0.02 1 1001 103 103 ASN HB3 H 2.72 0.02 1 1002 103 103 ASN HD21 H 7.58 0.02 1 1003 103 103 ASN HD22 H 6.9 0.02 1 1004 103 103 ASN C C 175.5 0.2 1 1005 103 103 ASN CA C 53.4 0.2 1 1006 103 103 ASN CB C 38.8 0.2 1 1007 103 103 ASN N N 120.9 0.2 1 1008 103 103 ASN ND2 N 112.1 0.2 1 1009 104 104 THR H H 8.15 0.02 1 1010 104 104 THR HA H 4.28 0.02 1 1011 104 104 THR HB H 4.24 0.02 1 1012 104 104 THR HG2 H 1.17 0.02 1 1013 104 104 THR C C 174.3 0.2 1 1014 104 104 THR CA C 62.2 0.2 1 1015 104 104 THR CB C 69.6 0.2 1 1016 104 104 THR CG2 C 21.6 0.2 1 1017 104 104 THR N N 114 0.2 1 1018 105 105 GLN HA H 4.32 0.02 1 1019 105 105 GLN HB2 H 2.11 0.02 1 1020 105 105 GLN HB3 H 1.96 0.02 1 1021 105 105 GLN HG2 H 2.33 0.02 1 1022 105 105 GLN HG3 H 2.33 0.02 1 1023 105 105 GLN C C 176.1 0.2 1 1024 105 105 GLN CA C 56 0.2 1 1025 105 105 GLN CB C 29.3 0.2 1 1026 105 105 GLN CG C 33.5 0.2 1 1027 106 106 SER H H 8.31 0.02 1 1028 106 106 SER HA H 4.4 0.02 1 1029 106 106 SER HB2 H 3.84 0.02 1 1030 106 106 SER HB3 H 3.84 0.02 1 1031 106 106 SER C C 175 0.2 1 1032 106 106 SER CA C 58.6 0.2 1 1033 106 106 SER CB C 64 0.2 1 1034 106 106 SER N N 116.8 0.2 1 1035 107 107 GLY H H 8.38 0.02 1 1036 107 107 GLY HA2 H 3.88 0.02 1 1037 107 107 GLY HA3 H 3.88 0.02 1 1038 107 107 GLY C C 173.9 0.2 1 1039 107 107 GLY CA C 45.4 0.2 1 1040 107 107 GLY N N 110.7 0.2 1 1041 108 108 LEU H H 7.91 0.02 1 1042 108 108 LEU HA H 4.21 0.02 1 1043 108 108 LEU HB2 H 1.44 0.02 1 1044 108 108 LEU HB3 H 1.32 0.02 1 1045 108 108 LEU HG H 1.42 0.02 1 1046 108 108 LEU HD1 H 0.88 0.02 1 1047 108 108 LEU HD2 H 0.83 0.02 1 1048 108 108 LEU C C 177.1 0.2 1 1049 108 108 LEU CA C 55.2 0.2 1 1050 108 108 LEU CB C 42.3 0.2 1 1051 108 108 LEU CG C 26.7 0.2 1 1052 108 108 LEU CD1 C 24.8 0.2 1 1053 108 108 LEU CD2 C 23.4 0.2 1 1054 108 108 LEU N N 121 0.2 1 1055 109 109 PHE H H 8.15 0.02 1 1056 109 109 PHE HA H 4.61 0.02 1 1057 109 109 PHE HB2 H 3.14 0.02 1 1058 109 109 PHE HB3 H 2.95 0.02 1 1059 109 109 PHE C C 175.2 0.2 1 1060 109 109 PHE CA C 57.4 0.2 1 1061 109 109 PHE CB C 39.5 0.2 1 1062 109 109 PHE N N 119.7 0.2 1 1063 110 110 ASN H H 8.31 0.02 1 1064 110 110 ASN HA H 4.64 0.02 1 1065 110 110 ASN HB2 H 2.79 0.02 1 1066 110 110 ASN HB3 H 2.64 0.02 1 1067 110 110 ASN C C 174.6 0.2 1 1068 110 110 ASN CA C 53.1 0.2 1 1069 110 110 ASN CB C 39.2 0.2 1 1070 110 110 ASN N N 120.1 0.2 1 1071 111 111 THR H H 8.06 0.02 1 1072 111 111 THR HA H 4.31 0.02 1 1073 111 111 THR HB H 3.83 0.02 1 1074 111 111 THR C C 172.2 0.2 1 1075 111 111 THR CA C 60 0.2 1 1076 111 111 THR CB C 69.9 0.2 1 1077 111 111 THR N N 117.1 0.2 1 1078 114 114 PRO HA H 4.43 0.02 1 1079 114 114 PRO HB2 H 2.23 0.02 1 1080 114 114 PRO HB3 H 1.87 0.02 1 1081 114 114 PRO HG2 H 1.97 0.02 1 1082 114 114 PRO HG3 H 1.97 0.02 1 1083 114 114 PRO HD2 H 3.64 0.02 1 1084 114 114 PRO C C 176.8 0.2 1 1085 114 114 PRO CA C 62.9 0.2 1 1086 114 114 PRO CB C 31.9 0.2 1 1087 114 114 PRO CG C 27.1 0.2 1 1088 114 114 PRO CD C 50.4 0.2 1 1089 115 115 THR H H 8.27 0.02 1 1090 115 115 THR HA H 4.5 0.02 1 1091 115 115 THR HB H 4.07 0.02 1 1092 115 115 THR HG2 H 1.21 0.02 1 1093 115 115 THR C C 172.5 0.2 1 1094 115 115 THR CA C 59.9 0.2 1 1095 115 115 THR CB C 70.2 0.2 1 1096 115 115 THR CG2 C 21.4 0.2 1 1097 115 115 THR N N 117.4 0.2 1 1098 117 117 PRO HA H 4.36 0.02 1 1099 117 117 PRO HB2 H 2.17 0.02 1 1100 117 117 PRO HB3 H 1.78 0.02 1 1101 117 117 PRO HG2 H 1.87 0.02 1 1102 117 117 PRO HG3 H 1.87 0.02 1 1103 117 117 PRO HD2 H 3.77 0.02 1 1104 117 117 PRO HD3 H 3.77 0.02 1 1105 117 117 PRO C C 176.4 0.2 1 1106 117 117 PRO CA C 63 0.2 1 1107 117 117 PRO CB C 32 0.2 1 1108 117 117 PRO CG C 27.3 0.2 1 1109 117 117 PRO CD C 51 0.2 1 1110 118 118 ASP H H 8.35 0.02 1 1111 118 118 ASP HA H 4.52 0.02 1 1112 118 118 ASP HB2 H 2.7 0.02 1 1113 118 118 ASP HB3 H 2.54 0.02 1 1114 118 118 ASP C C 176.3 0.2 1 1115 118 118 ASP CA C 54.1 0.2 1 1116 118 118 ASP CB C 41 0.2 1 1117 118 118 ASP N N 119.7 0.2 1 1118 119 119 LEU H H 8.15 0.02 1 1119 119 119 LEU HA H 4.3 0.02 1 1120 119 119 LEU HB2 H 1.57 0.02 1 1121 119 119 LEU HB3 H 1.54 0.02 1 1122 119 119 LEU HG H 1.58 0.02 1 1123 119 119 LEU HD1 H 0.89 0.02 1 1124 119 119 LEU HD2 H 0.82 0.02 1 1125 119 119 LEU C C 177.2 0.2 1 1126 119 119 LEU CA C 55.2 0.2 1 1127 119 119 LEU CB C 42.3 0.2 1 1128 119 119 LEU CG C 26.9 0.2 1 1129 119 119 LEU CD1 C 24.8 0.2 1 1130 119 119 LEU CD2 C 23.5 0.2 1 1131 119 119 LEU N N 122.6 0.2 1 1132 120 120 ASN H H 8.47 0.02 1 1133 120 120 ASN HA H 4.61 0.02 1 1134 120 120 ASN HB2 H 2.82 0.02 1 1135 120 120 ASN HB3 H 2.7 0.02 1 1136 120 120 ASN HD21 H 7.6 0.02 1 1137 120 120 ASN HD22 H 6.92 0.02 1 1138 120 120 ASN C C 174.9 0.2 1 1139 120 120 ASN CA C 53.7 0.2 1 1140 120 120 ASN CB C 38.9 0.2 1 1141 120 120 ASN N N 119.4 0.2 1 1142 120 120 ASN ND2 N 112.3 0.2 1 1143 121 121 GLN H H 8.28 0.02 1 1144 121 121 GLN HA H 4.34 0.02 1 1145 121 121 GLN HB2 H 2.12 0.02 1 1146 121 121 GLN HB3 H 1.89 0.02 1 1147 121 121 GLN HG2 H 2.29 0.02 1 1148 121 121 GLN HG3 H 2.29 0.02 1 1149 121 121 GLN C C 174.8 0.2 1 1150 121 121 GLN CA C 55.6 0.2 1 1151 121 121 GLN CB C 29.9 0.2 1 1152 121 121 GLN CG C 33.7 0.2 1 1153 121 121 GLN N N 120.9 0.2 1 1154 122 122 ASP H H 8.04 0.02 1 1155 122 122 ASP HA H 4.34 0.02 1 1156 122 122 ASP HB2 H 2.64 0.02 1 1157 122 122 ASP HB3 H 2.52 0.02 1 1158 122 122 ASP C C 174.7 0.2 1 1159 122 122 ASP CA C 56 0.2 1 1160 122 122 ASP CB C 42 0.2 1 1161 122 122 ASP N N 127.3 0.2 1 stop_ save_