data_25384 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; The Beclin 1 N-terminal Domain (BecN-150CSY) ; _BMRB_accession_number 25384 _BMRB_flat_file_name bmr25384.str _Entry_type original _Submission_date 2014-12-08 _Accession_date 2014-12-08 _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 Yao Shenggen . . 2 Lee Erinna F. . 3 Fairlie Walter D. . 4 Keizer David W. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 293 "13C chemical shifts" 438 "15N chemical shifts" 142 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2016-06-30 original BMRB . stop_ _Original_release_date 2016-06-30 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Characterisation of the conformational preference and dynamics of the intrinsically disordered N-terminal region of Beclin 1 by NMR spectroscopy ; _Citation_status published _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 Yao Shenggen . . 2 Lee Erinna F. . 3 Pettikiriarachchi Anne . . 4 Evangelista Marco . . 5 Keizer David W. . 6 Fairlie Walter D. . stop_ _Journal_abbreviation 'Biochim. Biophys. Acta' _Journal_volume 1864 _Journal_issue 9 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 1128 _Page_last 1137 _Year 2016 _Details . loop_ _Keyword Autophagy 'BH3 domain' 'Beclin 1' NMR 'intrinsically disordered protein' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'BecN-150CSY monomer' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label entity $entity 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_entity _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common BecN-150CSY _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 165 _Mol_residue_sequence ; MGSSHHHHHHSQDPMEGSKT SNNSTMQVSFVSQRSSQPLK LDTSFKILDRVTIQELTAPL LTTAQAKPGETQEEETNSGE EPFIETPRQDGVSRRFIPPA RMMSTESANSFTLIGEASDG GTMENLSRRLKVTGDLFDIM SGQTDVDHPLSEESTDTLLD QLDTY ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -14 MET 2 -13 GLY 3 -12 SER 4 -11 SER 5 -10 HIS 6 -9 HIS 7 -8 HIS 8 -7 HIS 9 -6 HIS 10 -5 HIS 11 -4 SER 12 -3 GLN 13 -2 ASP 14 -1 PRO 15 1 MET 16 2 GLU 17 3 GLY 18 4 SER 19 5 LYS 20 6 THR 21 7 SER 22 8 ASN 23 9 ASN 24 10 SER 25 11 THR 26 12 MET 27 13 GLN 28 14 VAL 29 15 SER 30 16 PHE 31 17 VAL 32 18 SER 33 19 GLN 34 20 ARG 35 21 SER 36 22 SER 37 23 GLN 38 24 PRO 39 25 LEU 40 26 LYS 41 27 LEU 42 28 ASP 43 29 THR 44 30 SER 45 31 PHE 46 32 LYS 47 33 ILE 48 34 LEU 49 35 ASP 50 36 ARG 51 37 VAL 52 38 THR 53 39 ILE 54 40 GLN 55 41 GLU 56 42 LEU 57 43 THR 58 44 ALA 59 45 PRO 60 46 LEU 61 47 LEU 62 48 THR 63 49 THR 64 50 ALA 65 51 GLN 66 52 ALA 67 53 LYS 68 54 PRO 69 55 GLY 70 56 GLU 71 57 THR 72 58 GLN 73 59 GLU 74 60 GLU 75 61 GLU 76 62 THR 77 63 ASN 78 64 SER 79 65 GLY 80 66 GLU 81 67 GLU 82 68 PRO 83 69 PHE 84 70 ILE 85 71 GLU 86 72 THR 87 73 PRO 88 74 ARG 89 75 GLN 90 76 ASP 91 77 GLY 92 78 VAL 93 79 SER 94 80 ARG 95 81 ARG 96 82 PHE 97 83 ILE 98 84 PRO 99 85 PRO 100 86 ALA 101 87 ARG 102 88 MET 103 89 MET 104 90 SER 105 91 THR 106 92 GLU 107 93 SER 108 94 ALA 109 95 ASN 110 96 SER 111 97 PHE 112 98 THR 113 99 LEU 114 100 ILE 115 101 GLY 116 102 GLU 117 103 ALA 118 104 SER 119 105 ASP 120 106 GLY 121 107 GLY 122 108 THR 123 109 MET 124 110 GLU 125 111 ASN 126 112 LEU 127 113 SER 128 114 ARG 129 115 ARG 130 116 LEU 131 117 LYS 132 118 VAL 133 119 THR 134 120 GLY 135 121 ASP 136 122 LEU 137 123 PHE 138 124 ASP 139 125 ILE 140 126 MET 141 127 SER 142 128 GLY 143 129 GLN 144 130 THR 145 131 ASP 146 132 VAL 147 133 ASP 148 134 HIS 149 135 PRO 150 136 LEU 151 137 SER 152 138 GLU 153 139 GLU 154 140 SER 155 141 THR 156 142 ASP 157 143 THR 158 144 LEU 159 145 LEU 160 146 ASP 161 147 GLN 162 148 LEU 163 149 ASP 164 150 THR 165 151 TYR 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 $entity 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 $entity 'recombinant technology' . Escherichia coli . 'pET DUET' stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details 'containing 50 mM sodium phosphate containing 50 mM sodium chloride and 0.02 % (w/v) sodium azide at pH 6.8' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity 0.18 mM [U-15N] H2O 95 % 'natural abundance' D2O 5 % 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details 'Containing 50 mM sodium phosphate containing 50 mM sodium chloride and 0.02 % (w/v) sodium azide at pH 6.8' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity 0.12 mM '[U-100% 13C; U-100% 15N]' H2O 95 % 'natural abundance' D2O 5 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version 3.2 loop_ _Vendor _Address _Electronic_address Bruker . . stop_ loop_ _Task processing stop_ _Details . save_ save_XEASY _Saveframe_category software _Name XEASY _Version 1.3 loop_ _Vendor _Address _Electronic_address 'Bartels et al.' . . 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 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_HNCA_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_2 save_ save_3D_HNCO_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_2 save_ save_3D_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_2 save_ save_3D_HN(CO)CA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_2 save_ save_3D_CBCA(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_2 save_ save_3D_HN(CA)CO_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $sample_2 save_ save_3D_1H-15N_NOESY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-15N_TOCSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 100 . mM pH 6.8 . pH pressure 1 . atm temperature 288 . 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 na C 13 protons ppm 4.885 internal indirect . . . 0.251449453 water H 1 protons ppm 4.885 internal indirect . . . 1 na N 15 protons ppm 4.885 internal 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' '3D HNCA' '3D HNCO' '3D HNCACB' '3D HN(CO)CA' '3D CBCA(CO)NH' '3D HN(CA)CO' '3D 1H-15N NOESY' '3D 1H-15N TOCSY' stop_ loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name entity _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 15 MET H H 8.58 0.01 1 2 1 15 MET HA H 4.42 0.01 1 3 1 15 MET C C 177.1 0.2 1 4 1 15 MET CA C 55.9 0.2 1 5 1 15 MET CB C 32.4 0.2 1 6 1 15 MET N N 119.2 0.2 1 7 2 16 GLU H H 8.25 0.01 1 8 2 16 GLU HA H 4.14 0.01 1 9 2 16 GLU C C 176.8 0.2 1 10 2 16 GLU CA C 57.6 0.2 1 11 2 16 GLU CB C 30.2 0.2 1 12 2 16 GLU N N 122 0.2 1 13 3 17 GLY H H 8.51 0.01 1 14 3 17 GLY HA2 H 3.97 0.01 2 15 3 17 GLY HA3 H 3.97 0.01 2 16 3 17 GLY C C 174.7 0.2 1 17 3 17 GLY CA C 45.8 0.2 1 18 3 17 GLY N N 110.3 0.2 1 19 4 18 SER H H 8.23 0.01 1 20 4 18 SER HA H 4.41 0.01 1 21 4 18 SER C C 175.3 0.2 1 22 4 18 SER CA C 59.1 0.2 1 23 4 18 SER CB C 64.2 0.2 1 24 4 18 SER N N 115.6 0.2 1 25 5 19 LYS H H 8.45 0.01 1 26 5 19 LYS HA H 4.41 0.01 1 27 5 19 LYS C C 177.3 0.2 1 28 5 19 LYS CA C 56.4 0.2 1 29 5 19 LYS CB C 33.2 0.2 1 30 5 19 LYS N N 123.6 0.2 1 31 6 20 THR H H 8.21 0.01 1 32 6 20 THR HA H 4.38 0.01 1 33 6 20 THR C C 175 0.2 1 34 6 20 THR CA C 62.1 0.2 1 35 6 20 THR CB C 70.1 0.2 1 36 6 20 THR N N 114.5 0.2 1 37 7 21 SER H H 8.27 0.01 1 38 7 21 SER HA H 4.49 0.01 1 39 7 21 SER C C 174.7 0.2 1 40 7 21 SER CA C 58.7 0.2 1 41 7 21 SER CB C 64.2 0.2 1 42 7 21 SER N N 117.9 0.2 1 43 8 22 ASN H H 8.55 0.01 1 44 8 22 ASN HA H 4.73 0.01 1 45 8 22 ASN C C 175.4 0.2 1 46 8 22 ASN CA C 53.7 0.2 1 47 8 22 ASN CB C 39.1 0.2 1 48 8 22 ASN N N 121 0.2 1 49 9 23 ASN H H 8.46 0.01 1 50 9 23 ASN HA H 4.71 0.01 1 51 9 23 ASN C C 175.9 0.2 1 52 9 23 ASN CA C 53.8 0.2 1 53 9 23 ASN CB C 39 0.2 1 54 9 23 ASN N N 119.4 0.2 1 55 10 24 SER H H 8.39 0.01 1 56 10 24 SER HA H 4.45 0.01 1 57 10 24 SER C C 175.4 0.2 1 58 10 24 SER CA C 59.3 0.2 1 59 10 24 SER CB C 64 0.2 1 60 10 24 SER N N 116.3 0.2 1 61 11 25 THR H H 8.35 0.01 1 62 11 25 THR HA H 4.33 0.01 1 63 11 25 THR C C 175 0.2 1 64 11 25 THR CA C 62.7 0.2 1 65 11 25 THR CB C 70 0.2 1 66 11 25 THR N N 115.7 0.2 1 67 12 26 MET H H 8.29 0.01 1 68 12 26 MET HA H 4.26 0.01 1 69 12 26 MET C C 176.3 0.2 1 70 12 26 MET CA C 56.3 0.2 1 71 12 26 MET CB C 32.9 0.2 1 72 12 26 MET N N 122.5 0.2 1 73 13 27 GLN H H 8.4 0.01 1 74 13 27 GLN HA H 4.3 0.01 1 75 13 27 GLN C C 176.2 0.2 1 76 13 27 GLN CA C 56.2 0.2 1 77 13 27 GLN CB C 29.6 0.2 1 78 13 27 GLN N N 122.3 0.2 1 79 14 28 VAL H H 8.26 0.01 1 80 14 28 VAL HA H 4.1 0.01 1 81 14 28 VAL C C 176.4 0.2 1 82 14 28 VAL CA C 62.9 0.2 1 83 14 28 VAL CB C 33 0.2 1 84 14 28 VAL N N 121.5 0.2 1 85 15 29 SER H H 8.36 0.01 1 86 15 29 SER HA H 4.42 0.01 1 87 15 29 SER C C 174.4 0.2 1 88 15 29 SER CA C 58.5 0.2 1 89 15 29 SER CB C 64.2 0.2 1 90 15 29 SER N N 119.3 0.2 1 91 16 30 PHE H H 8.36 0.01 1 92 16 30 PHE HA H 4.62 0.01 1 93 16 30 PHE C C 176 0.2 1 94 16 30 PHE CA C 58.3 0.2 1 95 16 30 PHE CB C 40 0.2 1 96 16 30 PHE N N 123.2 0.2 1 97 17 31 VAL H H 8.09 0.01 1 98 17 31 VAL HA H 4.02 0.01 1 99 17 31 VAL C C 176.3 0.2 1 100 17 31 VAL CA C 62.8 0.2 1 101 17 31 VAL CB C 33.2 0.2 1 102 17 31 VAL N N 122.4 0.2 1 103 18 32 SER H H 8.37 0.01 1 104 18 32 SER HA H 4.36 0.01 1 105 18 32 SER C C 175 0.2 1 106 18 32 SER CA C 58.9 0.2 1 107 18 32 SER CB C 64.1 0.2 1 108 18 32 SER N N 119.6 0.2 1 109 19 33 GLN H H 8.48 0.01 1 110 19 33 GLN HA H 4.57 0.01 1 111 19 33 GLN C C 176.4 0.2 1 112 19 33 GLN CA C 56.5 0.2 1 113 19 33 GLN CB C 29.7 0.2 1 114 19 33 GLN N N 122.6 0.2 1 115 20 34 ARG H H 8.42 0.01 1 116 20 34 ARG HA H 4.33 0.01 1 117 20 34 ARG C C 176.9 0.2 1 118 20 34 ARG CA C 56.6 0.2 1 119 20 34 ARG CB C 31.2 0.2 1 120 20 34 ARG N N 122.4 0.2 1 121 21 35 SER H H 8.44 0.01 1 122 21 35 SER HA H 4.53 0.01 1 123 21 35 SER C C 174.9 0.2 1 124 21 35 SER CA C 58.8 0.2 1 125 21 35 SER CB C 64.2 0.2 1 126 21 35 SER N N 117 0.2 1 127 22 36 SER H H 8.43 0.01 1 128 22 36 SER HA H 4.42 0.01 1 129 22 36 SER C C 174.4 0.2 1 130 22 36 SER CA C 58.7 0.2 1 131 22 36 SER CB C 64.1 0.2 1 132 22 36 SER N N 118 0.2 1 133 23 37 GLN H H 8.33 0.01 1 134 23 37 GLN HA H 4.61 0.01 1 135 23 37 GLN C C 174.2 0.2 1 136 23 37 GLN CA C 54.1 0.2 1 137 23 37 GLN CB C 29.3 0.2 1 138 23 37 GLN N N 122.9 0.2 1 139 24 38 PRO C C 177 0.2 1 140 24 38 PRO CA C 63.6 0.2 1 141 24 38 PRO CB C 32.4 0.2 1 142 25 39 LEU H H 8.39 0.01 1 143 25 39 LEU HA H 4.26 0.01 1 144 25 39 LEU C C 177.5 0.2 1 145 25 39 LEU CA C 55.7 0.2 1 146 25 39 LEU CB C 42.7 0.2 1 147 25 39 LEU N N 122.8 0.2 1 148 26 40 LYS H H 8.36 0.01 1 149 26 40 LYS HA H 4.29 0.01 1 150 26 40 LYS C C 176.4 0.2 1 151 26 40 LYS CA C 56.3 0.2 1 152 26 40 LYS CB C 33.4 0.2 1 153 26 40 LYS N N 123.1 0.2 1 154 27 41 LEU H H 8.36 0.01 1 155 27 41 LEU HA H 4.34 0.01 1 156 27 41 LEU C C 177.2 0.2 1 157 27 41 LEU CA C 55.3 0.2 1 158 27 41 LEU CB C 42.9 0.2 1 159 27 41 LEU N N 124.6 0.2 1 160 28 42 ASP H H 8.48 0.01 1 161 28 42 ASP HA H 4.66 0.01 1 162 28 42 ASP C C 177.1 0.2 1 163 28 42 ASP CA C 57 0.2 1 164 28 42 ASP CB C 41.5 0.2 1 165 28 42 ASP N N 122.1 0.2 1 166 29 43 THR H H 8.23 0.01 1 167 29 43 THR HA H 4.3 0.01 1 168 29 43 THR C C 175.2 0.2 1 169 29 43 THR CA C 62.1 0.2 1 170 29 43 THR CB C 69.7 0.2 1 171 29 43 THR N N 114.7 0.2 1 172 30 44 SER H H 8.4 0.01 1 173 30 44 SER HA H 4.34 0.01 1 174 30 44 SER C C 174.6 0.2 1 175 30 44 SER CA C 59.4 0.2 1 176 30 44 SER CB C 64 0.2 1 177 30 44 SER N N 118.3 0.2 1 178 31 45 PHE H H 8.1 0.01 1 179 31 45 PHE HA H 4.56 0.01 1 180 31 45 PHE C C 175.6 0.2 1 181 31 45 PHE CA C 58.3 0.2 1 182 31 45 PHE CB C 39.6 0.2 1 183 31 45 PHE N N 121.9 0.2 1 184 32 46 LYS H H 8.1 0.01 1 185 32 46 LYS HA H 4.25 0.01 1 186 32 46 LYS C C 176.2 0.2 1 187 32 46 LYS CA C 56.4 0.2 1 188 32 46 LYS CB C 33.6 0.2 1 189 32 46 LYS N N 123.6 0.2 1 190 33 47 ILE H H 8.2 0.01 1 191 33 47 ILE HA H 4.05 0.01 1 192 33 47 ILE C C 176.6 0.2 1 193 33 47 ILE CA C 61.7 0.2 1 194 33 47 ILE CB C 38.6 0.2 1 195 33 47 ILE N N 122.9 0.2 1 196 34 48 LEU H H 8.36 0.01 1 197 34 48 LEU HA H 4.32 0.01 1 198 34 48 LEU C C 177.2 0.2 1 199 34 48 LEU CA C 55.4 0.2 1 200 34 48 LEU CB C 42.7 0.2 1 201 34 48 LEU N N 126.6 0.2 1 202 35 49 ASP H H 8.27 0.01 1 203 35 49 ASP HA H 4.54 0.01 1 204 35 49 ASP C C 176.3 0.2 1 205 35 49 ASP CA C 54.8 0.2 1 206 35 49 ASP CB C 41.5 0.2 1 207 35 49 ASP N N 121.3 0.2 1 208 36 50 ARG H H 8.24 0.01 1 209 36 50 ARG HA H 4.29 0.01 1 210 36 50 ARG C C 176.6 0.2 1 211 36 50 ARG CA C 56.7 0.2 1 212 36 50 ARG CB C 31 0.2 1 213 36 50 ARG N N 120.9 0.2 1 214 37 51 VAL H H 8.27 0.01 1 215 37 51 VAL HA H 4.1 0.01 1 216 37 51 VAL C C 176.8 0.2 1 217 37 51 VAL CA C 63.1 0.2 1 218 37 51 VAL CB C 33 0.2 1 219 37 51 VAL N N 121.5 0.2 1 220 38 52 THR H H 8.34 0.01 1 221 38 52 THR HA H 4.53 0.01 1 222 38 52 THR C C 174.9 0.2 1 223 38 52 THR CA C 62.7 0.2 1 224 38 52 THR CB C 70.1 0.2 1 225 38 52 THR N N 119.1 0.2 1 226 39 53 ILE H H 8.26 0.01 1 227 39 53 ILE HA H 4.12 0.01 1 228 39 53 ILE C C 176.7 0.2 1 229 39 53 ILE CA C 61.9 0.2 1 230 39 53 ILE CB C 38.9 0.2 1 231 39 53 ILE N N 123.9 0.2 1 232 40 54 GLN H H 8.47 0.01 1 233 40 54 GLN HA H 4.26 0.01 1 234 40 54 GLN C C 176.2 0.2 1 235 40 54 GLN CA C 56.5 0.2 1 236 40 54 GLN CB C 29.7 0.2 1 237 40 54 GLN N N 124.6 0.2 1 238 41 55 GLU H H 8.47 0.01 1 239 41 55 GLU HA H 4.24 0.01 1 240 41 55 GLU C C 176.9 0.2 1 241 41 55 GLU CA C 57 0.2 1 242 41 55 GLU CB C 30.4 0.2 1 243 41 55 GLU N N 122.7 0.2 1 244 42 56 LEU H H 8.38 0.01 1 245 42 56 LEU HA H 4.38 0.01 1 246 42 56 LEU C C 177.9 0.2 1 247 42 56 LEU CA C 55.8 0.2 1 248 42 56 LEU CB C 42.7 0.2 1 249 42 56 LEU N N 123.4 0.2 1 250 43 57 THR H H 8.11 0.01 1 251 43 57 THR HA H 4.28 0.01 1 252 43 57 THR C C 174.2 0.2 1 253 43 57 THR CA C 62 0.2 1 254 43 57 THR CB C 70.2 0.2 1 255 43 57 THR N N 114.8 0.2 1 256 44 58 ALA H H 8.27 0.01 1 257 44 58 ALA HA H 4.57 0.01 1 258 44 58 ALA C C 175.7 0.2 1 259 44 58 ALA CA C 51.1 0.2 1 260 44 58 ALA CB C 18.5 0.2 1 261 44 58 ALA N N 128 0.2 1 262 45 59 PRO C C 177.1 0.2 1 263 45 59 PRO CA C 63.5 0.2 1 264 45 59 PRO CB C 32.5 0.2 1 265 46 60 LEU H H 8.36 0.01 1 266 46 60 LEU HA H 4.3 0.01 1 267 46 60 LEU C C 177.8 0.2 1 268 46 60 LEU CA C 55.5 0.2 1 269 46 60 LEU CB C 42.6 0.2 1 270 46 60 LEU N N 122.3 0.2 1 271 47 61 LEU H H 8.35 0.01 1 272 47 61 LEU HA H 4.45 0.01 1 273 47 61 LEU C C 177.9 0.2 1 274 47 61 LEU CA C 55.4 0.2 1 275 47 61 LEU CB C 42.7 0.2 1 276 47 61 LEU N N 123.6 0.2 1 277 48 62 THR H H 8.21 0.01 1 278 48 62 THR HA H 4.4 0.01 1 279 48 62 THR C C 175 0.2 1 280 48 62 THR CA C 62 0.2 1 281 48 62 THR CB C 70.1 0.2 1 282 48 62 THR N N 114.9 0.2 1 283 49 63 THR H H 8.15 0.01 1 284 49 63 THR HA H 4.29 0.01 1 285 49 63 THR C C 174.7 0.2 1 286 49 63 THR CA C 62.2 0.2 1 287 49 63 THR CB C 70.1 0.2 1 288 49 63 THR N N 116.1 0.2 1 289 50 64 ALA H H 8.36 0.01 1 290 50 64 ALA HA H 4.32 0.01 1 291 50 64 ALA C C 177.9 0.2 1 292 50 64 ALA CA C 53 0.2 1 293 50 64 ALA CB C 19.4 0.2 1 294 50 64 ALA N N 126.5 0.2 1 295 51 65 GLN H H 8.33 0.01 1 296 51 65 GLN HA H 4.28 0.01 1 297 51 65 GLN C C 175.9 0.2 1 298 51 65 GLN CA C 55.9 0.2 1 299 51 65 GLN CB C 29.9 0.2 1 300 51 65 GLN N N 119.9 0.2 1 301 52 66 ALA H H 8.38 0.01 1 302 52 66 ALA HA H 4.26 0.01 1 303 52 66 ALA C C 177.8 0.2 1 304 52 66 ALA CA C 52.9 0.2 1 305 52 66 ALA CB C 19.6 0.2 1 306 52 66 ALA N N 126.1 0.2 1 307 53 67 LYS H H 8.47 0.01 1 308 53 67 LYS HA H 4.25 0.01 1 309 53 67 LYS C C 174.9 0.2 1 310 53 67 LYS CA C 54.6 0.2 1 311 53 67 LYS CB C 32.7 0.2 1 312 53 67 LYS N N 122.6 0.2 1 313 54 68 PRO C C 178 0.2 1 314 54 68 PRO CA C 63.9 0.2 1 315 54 68 PRO CB C 32.3 0.2 1 316 55 69 GLY H H 8.63 0.01 1 317 55 69 GLY HA2 H 3.95 0.01 2 318 55 69 GLY HA3 H 3.95 0.01 2 319 55 69 GLY C C 174.6 0.2 1 320 55 69 GLY CA C 45.6 0.2 1 321 55 69 GLY N N 110 0.2 1 322 56 70 GLU H H 8.21 0.01 1 323 56 70 GLU HA H 4.38 0.01 1 324 56 70 GLU C C 177.1 0.2 1 325 56 70 GLU CA C 57 0.2 1 326 56 70 GLU CB C 30.8 0.2 1 327 56 70 GLU N N 120.5 0.2 1 328 57 71 THR H H 8.33 0.01 1 329 57 71 THR HA H 4.42 0.01 1 330 57 71 THR C C 174.7 0.2 1 331 57 71 THR CA C 62.2 0.2 1 332 57 71 THR CB C 70.1 0.2 1 333 57 71 THR N N 115.9 0.2 1 334 58 72 GLN H H 8.59 0.01 1 335 58 72 GLN HA H 4.37 0.01 1 336 58 72 GLN C C 176.1 0.2 1 337 58 72 GLN CA C 56.1 0.2 1 338 58 72 GLN CB C 29.9 0.2 1 339 58 72 GLN N N 123.4 0.2 1 340 59 73 GLU H H 8.59 0.01 1 341 59 73 GLU HA H 4.33 0.01 1 342 59 73 GLU C C 176.2 0.2 1 343 59 73 GLU CA C 57 0.2 1 344 59 73 GLU CB C 30.6 0.2 1 345 59 73 GLU N N 123 0.2 1 346 60 74 GLU H H 8.59 0.01 1 347 60 74 GLU HA H 4.33 0.01 1 348 60 74 GLU C C 176.8 0.2 1 349 60 74 GLU CA C 57 0.2 1 350 60 74 GLU CB C 30.7 0.2 1 351 60 74 GLU N N 123.1 0.2 1 352 61 75 GLU H H 8.59 0.01 1 353 61 75 GLU HA H 4.3 0.01 1 354 61 75 GLU C C 177.1 0.2 1 355 61 75 GLU CA C 57 0.2 1 356 61 75 GLU CB C 30.6 0.2 1 357 61 75 GLU N N 122.9 0.2 1 358 62 76 THR H H 8.33 0.01 1 359 62 76 THR HA H 4.34 0.01 1 360 62 76 THR C C 174.6 0.2 1 361 62 76 THR CA C 62.3 0.2 1 362 62 76 THR CB C 70.1 0.2 1 363 62 76 THR N N 115.8 0.2 1 364 63 77 ASN H H 8.64 0.01 1 365 63 77 ASN HA H 4.77 0.01 1 366 63 77 ASN C C 175.7 0.2 1 367 63 77 ASN CA C 53.6 0.2 1 368 63 77 ASN CB C 39.4 0.2 1 369 63 77 ASN N N 121.9 0.2 1 370 64 78 SER H H 8.56 0.01 1 371 64 78 SER HA H 4.41 0.01 1 372 64 78 SER C C 175.5 0.2 1 373 64 78 SER CA C 59.2 0.2 1 374 64 78 SER CB C 64.1 0.2 1 375 64 78 SER N N 117.2 0.2 1 376 65 79 GLY H H 8.54 0.01 1 377 65 79 GLY HA2 H 3.98 0.01 2 378 65 79 GLY HA3 H 3.98 0.01 2 379 65 79 GLY C C 174.3 0.2 1 380 65 79 GLY CA C 45.7 0.2 1 381 65 79 GLY N N 111 0.2 1 382 66 80 GLU H H 8.23 0.01 1 383 66 80 GLU HA H 4.3 0.01 1 384 66 80 GLU C C 176.7 0.2 1 385 66 80 GLU CA C 56.4 0.2 1 386 66 80 GLU CB C 30.8 0.2 1 387 66 80 GLU N N 120.3 0.2 1 388 67 81 GLU H H 8.59 0.01 1 389 67 81 GLU HA H 4.52 0.01 1 390 67 81 GLU C C 174.9 0.2 1 391 67 81 GLU CA C 55 0.2 1 392 67 81 GLU CB C 30.1 0.2 1 393 67 81 GLU N N 123.8 0.2 1 394 68 82 PRO C C 176.7 0.2 1 395 68 82 PRO CA C 63.5 0.2 1 396 68 82 PRO CB C 32.4 0.2 1 397 69 83 PHE H H 8.38 0.01 1 398 69 83 PHE HA H 4.58 0.01 1 399 69 83 PHE C C 175.6 0.2 1 400 69 83 PHE CA C 58.1 0.2 1 401 69 83 PHE CB C 39.7 0.2 1 402 69 83 PHE N N 121.1 0.2 1 403 70 84 ILE H H 7.99 0.01 1 404 70 84 ILE HA H 4.06 0.01 1 405 70 84 ILE C C 175.6 0.2 1 406 70 84 ILE CA C 60.7 0.2 1 407 70 84 ILE CB C 39.5 0.2 1 408 70 84 ILE N N 124.9 0.2 1 409 71 85 GLU H H 8.42 0.01 1 410 71 85 GLU HA H 4.22 0.01 1 411 71 85 GLU C C 176.5 0.2 1 412 71 85 GLU CA C 56.7 0.2 1 413 71 85 GLU CB C 30.7 0.2 1 414 71 85 GLU N N 125.7 0.2 1 415 72 86 THR H H 8.34 0.01 1 416 72 86 THR HA H 4.52 0.01 1 417 72 86 THR C C 173 0.2 1 418 72 86 THR CA C 62.7 0.2 1 419 72 86 THR CB C 70.1 0.2 1 420 72 86 THR N N 119.4 0.2 1 421 73 87 PRO C C 177.2 0.2 1 422 73 87 PRO CA C 63.5 0.2 1 423 73 87 PRO CB C 32.7 0.2 1 424 74 88 ARG H H 8.57 0.01 1 425 74 88 ARG HA H 4.45 0.01 1 426 74 88 ARG C C 177 0.2 1 427 74 88 ARG CA C 56.4 0.2 1 428 74 88 ARG CB C 31.5 0.2 1 429 74 88 ARG N N 122.2 0.2 1 430 75 89 GLN H H 8.64 0.01 1 431 75 89 GLN HA H 4.36 0.01 1 432 75 89 GLN C C 175.9 0.2 1 433 75 89 GLN CA C 56.3 0.2 1 434 75 89 GLN CB C 29.8 0.2 1 435 75 89 GLN N N 122.2 0.2 1 436 76 90 ASP H H 8.46 0.01 1 437 76 90 ASP HA H 4.57 0.01 1 438 76 90 ASP C C 177.1 0.2 1 439 76 90 ASP CA C 54.7 0.2 1 440 76 90 ASP CB C 41.4 0.2 1 441 76 90 ASP N N 121.4 0.2 1 442 77 91 GLY H H 8.41 0.01 1 443 77 91 GLY HA2 H 3.98 0.01 2 444 77 91 GLY HA3 H 3.98 0.01 2 445 77 91 GLY C C 174.7 0.2 1 446 77 91 GLY CA C 45.9 0.2 1 447 77 91 GLY N N 109.1 0.2 1 448 78 92 VAL H H 8.01 0.01 1 449 78 92 VAL HA H 4.1 0.01 1 450 78 92 VAL C C 176.8 0.2 1 451 78 92 VAL CA C 63 0.2 1 452 78 92 VAL CB C 32.9 0.2 1 453 78 92 VAL N N 119.7 0.2 1 454 79 93 SER H H 8.52 0.01 1 455 79 93 SER HA H 4.42 0.01 1 456 79 93 SER C C 174.9 0.2 1 457 79 93 SER CA C 59 0.2 1 458 79 93 SER CB C 64 0.2 1 459 79 93 SER N N 119.7 0.2 1 460 80 94 ARG H H 8.45 0.01 1 461 80 94 ARG HA H 4.41 0.01 1 462 80 94 ARG C C 176.3 0.2 1 463 80 94 ARG CA C 56.8 0.2 1 464 80 94 ARG CB C 33.3 0.2 1 465 80 94 ARG N N 123.3 0.2 1 466 81 95 ARG H H 8.15 0.01 1 467 81 95 ARG HA H 4.33 0.01 1 468 81 95 ARG C C 176.2 0.2 1 469 81 95 ARG CA C 56.2 0.2 1 470 81 95 ARG CB C 31.1 0.2 1 471 81 95 ARG N N 122.3 0.2 1 472 82 96 PHE H H 8.43 0.01 1 473 82 96 PHE HA H 4.62 0.01 1 474 82 96 PHE C C 175 0.2 1 475 82 96 PHE CA C 58 0.2 1 476 82 96 PHE CB C 39.9 0.2 1 477 82 96 PHE N N 122.6 0.2 1 478 83 97 ILE H H 8.06 0.01 1 479 83 97 ILE HA H 4.33 0.01 1 480 83 97 ILE C C 173.6 0.2 1 481 83 97 ILE CA C 58 0.2 1 482 83 97 ILE CB C 39.2 0.2 1 483 83 97 ILE N N 127.3 0.2 1 484 85 99 PRO C C 177.1 0.2 1 485 85 99 PRO CA C 63.4 0.2 1 486 85 99 PRO CB C 32.5 0.2 1 487 86 100 ALA H H 8.41 0.01 1 488 86 100 ALA HA H 4.24 0.01 1 489 86 100 ALA C C 178.2 0.2 1 490 86 100 ALA CA C 53 0.2 1 491 86 100 ALA CB C 19.5 0.2 1 492 86 100 ALA N N 124.2 0.2 1 493 87 101 ARG H H 8.34 0.01 1 494 87 101 ARG HA H 4.28 0.01 1 495 87 101 ARG C C 176.5 0.2 1 496 87 101 ARG CA C 56.3 0.2 1 497 87 101 ARG CB C 31.1 0.2 1 498 87 101 ARG N N 119.8 0.2 1 499 88 102 MET H H 8.43 0.01 1 500 88 102 MET HA H 4.48 0.01 1 501 88 102 MET C C 176.4 0.2 1 502 88 102 MET CA C 56 0.2 1 503 88 102 MET CB C 33.1 0.2 1 504 88 102 MET N N 122 0.2 1 505 89 103 MET H H 8.5 0.01 1 506 89 103 MET HA H 4.52 0.01 1 507 89 103 MET C C 176.5 0.2 1 508 89 103 MET CA C 55.8 0.2 1 509 89 103 MET CB C 33.3 0.2 1 510 89 103 MET N N 122.1 0.2 1 511 90 104 SER H H 8.46 0.01 1 512 90 104 SER HA H 4.53 0.01 1 513 90 104 SER C C 175.3 0.2 1 514 90 104 SER CA C 58.7 0.2 1 515 90 104 SER CB C 64.2 0.2 1 516 90 104 SER N N 117.2 0.2 1 517 91 105 THR H H 8.33 0.01 1 518 91 105 THR HA H 4.34 0.01 1 519 91 105 THR C C 175.3 0.2 1 520 91 105 THR CA C 62.4 0.2 1 521 91 105 THR CB C 70.2 0.2 1 522 91 105 THR N N 115.8 0.2 1 523 92 106 GLU H H 8.46 0.01 1 524 92 106 GLU HA H 4.32 0.01 1 525 92 106 GLU C C 177.1 0.2 1 526 92 106 GLU CA C 57.4 0.2 1 527 92 106 GLU CB C 30.4 0.2 1 528 92 106 GLU N N 122.8 0.2 1 529 93 107 SER H H 8.35 0.01 1 530 93 107 SER HA H 4.41 0.01 1 531 93 107 SER C C 174.9 0.2 1 532 93 107 SER CA C 59 0.2 1 533 93 107 SER CB C 64.2 0.2 1 534 93 107 SER N N 116.7 0.2 1 535 94 108 ALA H H 8.39 0.01 1 536 94 108 ALA HA H 4.26 0.01 1 537 94 108 ALA C C 178 0.2 1 538 94 108 ALA CA C 53.3 0.2 1 539 94 108 ALA CB C 19.3 0.2 1 540 94 108 ALA N N 125.8 0.2 1 541 95 109 ASN H H 8.35 0.01 1 542 95 109 ASN HA H 4.66 0.01 1 543 95 109 ASN C C 175.6 0.2 1 544 95 109 ASN CA C 53.6 0.2 1 545 95 109 ASN CB C 39.2 0.2 1 546 95 109 ASN N N 117.2 0.2 1 547 96 110 SER H H 8.16 0.01 1 548 96 110 SER HA H 4.34 0.01 1 549 96 110 SER C C 174.6 0.2 1 550 96 110 SER CA C 59.1 0.2 1 551 96 110 SER CB C 63.9 0.2 1 552 96 110 SER N N 115.9 0.2 1 553 97 111 PHE H H 8.24 0.01 1 554 97 111 PHE HA H 4.65 0.01 1 555 97 111 PHE C C 176.1 0.2 1 556 97 111 PHE CA C 58.3 0.2 1 557 97 111 PHE CB C 39.8 0.2 1 558 97 111 PHE N N 121.8 0.2 1 559 98 112 THR H H 8.08 0.01 1 560 98 112 THR HA H 4.25 0.01 1 561 98 112 THR C C 174.3 0.2 1 562 98 112 THR CA C 62.3 0.2 1 563 98 112 THR CB C 70.5 0.2 1 564 98 112 THR N N 116.3 0.2 1 565 99 113 LEU H H 8.29 0.01 1 566 99 113 LEU HA H 4.34 0.01 1 567 99 113 LEU C C 177.4 0.2 1 568 99 113 LEU CA C 55.6 0.2 1 569 99 113 LEU CB C 42.6 0.2 1 570 99 113 LEU N N 125.1 0.2 1 571 100 114 ILE H H 8.19 0.01 1 572 100 114 ILE HA H 4.16 0.01 1 573 100 114 ILE C C 177 0.2 1 574 100 114 ILE CA C 61.7 0.2 1 575 100 114 ILE CB C 39 0.2 1 576 100 114 ILE N N 122.2 0.2 1 577 101 115 GLY H H 8.46 0.01 1 578 101 115 GLY HA2 H 3.93 0.01 2 579 101 115 GLY HA3 H 3.93 0.01 2 580 101 115 GLY C C 174.3 0.2 1 581 101 115 GLY CA C 45.5 0.2 1 582 101 115 GLY N N 112.9 0.2 1 583 102 116 GLU H H 8.3 0.01 1 584 102 116 GLU HA H 4.28 0.01 1 585 102 116 GLU C C 176.7 0.2 1 586 102 116 GLU CA C 56.7 0.2 1 587 102 116 GLU CB C 30.8 0.2 1 588 102 116 GLU N N 120.7 0.2 1 589 103 117 ALA H H 8.5 0.01 1 590 103 117 ALA HA H 4.34 0.01 1 591 103 117 ALA C C 178.3 0.2 1 592 103 117 ALA CA C 52.9 0.2 1 593 103 117 ALA CB C 19.5 0.2 1 594 103 117 ALA N N 125.3 0.2 1 595 104 118 SER H H 8.41 0.01 1 596 104 118 SER HA H 4.42 0.01 1 597 104 118 SER C C 174.8 0.2 1 598 104 118 SER CA C 58.8 0.2 1 599 104 118 SER CB C 64.2 0.2 1 600 104 118 SER N N 115.4 0.2 1 601 105 119 ASP H H 8.39 0.01 1 602 105 119 ASP HA H 4.62 0.01 1 603 105 119 ASP C C 177.2 0.2 1 604 105 119 ASP CA C 54.7 0.2 1 605 105 119 ASP CB C 41.4 0.2 1 606 105 119 ASP N N 122.3 0.2 1 607 106 120 GLY H H 8.45 0.01 1 608 106 120 GLY HA2 H 3.96 0.01 2 609 106 120 GLY HA3 H 3.96 0.01 2 610 106 120 GLY C C 175.4 0.2 1 611 106 120 GLY CA C 46.1 0.2 1 612 106 120 GLY N N 109.4 0.2 1 613 107 121 GLY H H 8.4 0.01 1 614 107 121 GLY HA2 H 3.98 0.01 2 615 107 121 GLY HA3 H 3.98 0.01 2 616 107 121 GLY C C 174.9 0.2 1 617 107 121 GLY CA C 45.8 0.2 1 618 107 121 GLY N N 109 0.2 1 619 108 122 THR H H 8.15 0.01 1 620 108 122 THR HA H 4.33 0.01 1 621 108 122 THR C C 175.4 0.2 1 622 108 122 THR CA C 62.7 0.2 1 623 108 122 THR CB C 70.1 0.2 1 624 108 122 THR N N 113.8 0.2 1 625 109 123 MET H H 8.57 0.01 1 626 109 123 MET HA H 4.28 0.01 1 627 109 123 MET C C 177.2 0.2 1 628 109 123 MET CA C 56.4 0.2 1 629 109 123 MET CB C 32.6 0.2 1 630 109 123 MET N N 122.2 0.2 1 631 110 124 GLU H H 8.49 0.01 1 632 110 124 GLU HA H 4.18 0.01 1 633 110 124 GLU C C 176.9 0.2 1 634 110 124 GLU CA C 57.7 0.2 1 635 110 124 GLU CB C 30.3 0.2 1 636 110 124 GLU N N 121.9 0.2 1 637 111 125 ASN H H 8.44 0.01 1 638 111 125 ASN HA H 4.61 0.01 1 639 111 125 ASN C C 176.3 0.2 1 640 111 125 ASN CA C 54.1 0.2 1 641 111 125 ASN CB C 38.8 0.2 1 642 111 125 ASN N N 119.2 0.2 1 643 112 126 LEU H H 8.28 0.01 1 644 112 126 LEU HA H 4.25 0.01 1 645 112 126 LEU C C 178.4 0.2 1 646 112 126 LEU CA C 56.4 0.2 1 647 112 126 LEU CB C 42.6 0.2 1 648 112 126 LEU N N 122.6 0.2 1 649 113 127 SER H H 8.29 0.01 1 650 113 127 SER HA H 4.32 0.01 1 651 113 127 SER C C 175.4 0.2 1 652 113 127 SER CA C 59.8 0.2 1 653 113 127 SER CB C 63.7 0.2 1 654 113 127 SER N N 115.4 0.2 1 655 114 128 ARG H H 8.11 0.01 1 656 114 128 ARG HA H 4.27 0.01 1 657 114 128 ARG C C 176.8 0.2 1 658 114 128 ARG CA C 57 0.2 1 659 114 128 ARG CB C 30.9 0.2 1 660 114 128 ARG N N 122.2 0.2 1 661 115 129 ARG H H 8.15 0.01 1 662 115 129 ARG HA H 4.28 0.01 1 663 115 129 ARG C C 176.7 0.2 1 664 115 129 ARG CA C 56.9 0.2 1 665 115 129 ARG CB C 30.9 0.2 1 666 115 129 ARG N N 121.1 0.2 1 667 116 130 LEU H H 8.21 0.01 1 668 116 130 LEU HA H 4.32 0.01 1 669 116 130 LEU C C 177.6 0.2 1 670 116 130 LEU CA C 55.8 0.2 1 671 116 130 LEU CB C 42.7 0.2 1 672 116 130 LEU N N 123 0.2 1 673 117 131 LYS H H 8.28 0.01 1 674 117 131 LYS HA H 4.32 0.01 1 675 117 131 LYS C C 176.8 0.2 1 676 117 131 LYS CA C 56.5 0.2 1 677 117 131 LYS CB C 33.2 0.2 1 678 117 131 LYS N N 122.5 0.2 1 679 118 132 VAL H H 8.28 0.01 1 680 118 132 VAL HA H 4.12 0.01 1 681 118 132 VAL C C 176.7 0.2 1 682 118 132 VAL CA C 62.8 0.2 1 683 118 132 VAL CB C 33.2 0.2 1 684 118 132 VAL N N 121.5 0.2 1 685 119 133 THR H H 8.21 0.01 1 686 119 133 THR HA H 4.32 0.01 1 687 119 133 THR C C 175.4 0.2 1 688 119 133 THR CA C 62.5 0.2 1 689 119 133 THR CB C 70.2 0.2 1 690 119 133 THR N N 117.1 0.2 1 691 120 134 GLY H H 8.46 0.01 1 692 120 134 GLY HA2 H 3.96 0.01 2 693 120 134 GLY HA3 H 3.96 0.01 2 694 120 134 GLY C C 174.1 0.2 1 695 120 134 GLY CA C 45.7 0.2 1 696 120 134 GLY N N 111.2 0.2 1 697 121 135 ASP H H 8.29 0.01 1 698 121 135 ASP HA H 4.53 0.01 1 699 121 135 ASP C C 176.7 0.2 1 700 121 135 ASP CA C 54.9 0.2 1 701 121 135 ASP CB C 41.6 0.2 1 702 121 135 ASP N N 120.9 0.2 1 703 122 136 LEU H H 8.2 0.01 1 704 122 136 LEU HA H 4.18 0.01 1 705 122 136 LEU C C 177.5 0.2 1 706 122 136 LEU CA C 56.1 0.2 1 707 122 136 LEU CB C 42.3 0.2 1 708 122 136 LEU N N 122 0.2 1 709 123 137 PHE H H 8.15 0.01 1 710 123 137 PHE HA H 4.52 0.01 1 711 123 137 PHE C C 175.9 0.2 1 712 123 137 PHE CA C 58.4 0.2 1 713 123 137 PHE CB C 39.8 0.2 1 714 123 137 PHE N N 119.9 0.2 1 715 124 138 ASP H H 8.24 0.01 1 716 124 138 ASP HA H 4.57 0.01 1 717 124 138 ASP C C 176.9 0.2 1 718 124 138 ASP CA C 54.8 0.2 1 719 124 138 ASP CB C 41.5 0.2 1 720 124 138 ASP N N 122 0.2 1 721 125 139 ILE H H 8.14 0.01 1 722 125 139 ILE HA H 4.08 0.01 1 723 125 139 ILE C C 177.2 0.2 1 724 125 139 ILE CA C 62.3 0.2 1 725 125 139 ILE CB C 38.9 0.2 1 726 125 139 ILE N N 121.4 0.2 1 727 126 140 MET H H 8.43 0.01 1 728 126 140 MET HA H 4.48 0.01 1 729 126 140 MET C C 177.2 0.2 1 730 126 140 MET CA C 56 0.2 1 731 126 140 MET CB C 32.5 0.2 1 732 126 140 MET N N 122.3 0.2 1 733 127 141 SER H H 8.19 0.01 1 734 127 141 SER HA H 4.37 0.01 1 735 127 141 SER C C 175.6 0.2 1 736 127 141 SER CA C 59.4 0.2 1 737 127 141 SER CB C 64.1 0.2 1 738 127 141 SER N N 116.5 0.2 1 739 128 142 GLY H H 8.43 0.01 1 740 128 142 GLY HA2 H 3.96 0.01 2 741 128 142 GLY HA3 H 3.96 0.01 2 742 128 142 GLY C C 174.5 0.2 1 743 128 142 GLY CA C 45.8 0.2 1 744 128 142 GLY N N 110.7 0.2 1 745 129 143 GLN H H 8.22 0.01 1 746 129 143 GLN HA H 4.41 0.01 1 747 129 143 GLN C C 176.5 0.2 1 748 129 143 GLN CA C 56.2 0.2 1 749 129 143 GLN CB C 29.8 0.2 1 750 129 143 GLN N N 119.9 0.2 1 751 130 144 THR H H 8.31 0.01 1 752 130 144 THR HA H 4.36 0.01 1 753 130 144 THR C C 174.4 0.2 1 754 130 144 THR CA C 62.2 0.2 1 755 130 144 THR CB C 70.2 0.2 1 756 130 144 THR N N 115.3 0.2 1 757 131 145 ASP H H 8.46 0.01 1 758 131 145 ASP HA H 4.62 0.01 1 759 131 145 ASP C C 176.6 0.2 1 760 131 145 ASP CA C 54.5 0.2 1 761 131 145 ASP CB C 41.5 0.2 1 762 131 145 ASP N N 123 0.2 1 763 132 146 VAL H H 8.09 0.01 1 764 132 146 VAL HA H 4.06 0.01 1 765 132 146 VAL C C 176.1 0.2 1 766 132 146 VAL CA C 62.7 0.2 1 767 132 146 VAL CB C 33 0.2 1 768 132 146 VAL N N 119.3 0.2 1 769 133 147 ASP H H 8.3 0.01 1 770 133 147 ASP HA H 4.52 0.01 1 771 133 147 ASP C C 175.9 0.2 1 772 133 147 ASP CA C 54.8 0.2 1 773 133 147 ASP CB C 41.7 0.2 1 774 133 147 ASP N N 122.2 0.2 1 775 134 148 HIS H H 8.16 0.01 1 776 134 148 HIS HA H 4.91 0.01 1 777 134 148 HIS C C 172.5 0.2 1 778 134 148 HIS CA C 53.9 0.2 1 779 134 148 HIS CB C 29.3 0.2 1 780 134 148 HIS N N 119.2 0.2 1 781 135 149 PRO C C 177.4 0.2 1 782 135 149 PRO CA C 63.6 0.2 1 783 135 149 PRO CB C 32.8 0.2 1 784 136 150 LEU H H 8.58 0.01 1 785 136 150 LEU HA H 4.34 0.01 1 786 136 150 LEU C C 178 0.2 1 787 136 150 LEU CA C 55.8 0.2 1 788 136 150 LEU CB C 42.6 0.2 1 789 136 150 LEU N N 122.8 0.2 1 790 137 151 SER H H 8.38 0.01 1 791 137 151 SER HA H 4.44 0.01 1 792 137 151 SER C C 174.9 0.2 1 793 137 151 SER CA C 58.6 0.2 1 794 137 151 SER CB C 64.2 0.2 1 795 137 151 SER N N 116.6 0.2 1 796 138 152 GLU H H 8.57 0.01 1 797 138 152 GLU HA H 4.3 0.01 1 798 138 152 GLU C C 176.8 0.2 1 799 138 152 GLU CA C 57 0.2 1 800 138 152 GLU CB C 30.7 0.2 1 801 138 152 GLU N N 123.2 0.2 1 802 139 153 GLU H H 8.48 0.01 1 803 139 153 GLU HA H 4.3 0.01 1 804 139 153 GLU C C 177.1 0.2 1 805 139 153 GLU CA C 54.6 0.2 1 806 139 153 GLU CB C 30.5 0.2 1 807 139 153 GLU N N 122 0.2 1 808 140 154 SER H H 8.49 0.01 1 809 140 154 SER HA H 4.53 0.01 1 810 140 154 SER C C 175.3 0.2 1 811 140 154 SER CA C 58.7 0.2 1 812 140 154 SER CB C 64.2 0.2 1 813 140 154 SER N N 117.4 0.2 1 814 141 155 THR H H 8.4 0.01 1 815 141 155 THR HA H 4.37 0.01 1 816 141 155 THR C C 174.8 0.2 1 817 141 155 THR CA C 62.2 0.2 1 818 141 155 THR CB C 70 0.2 1 819 141 155 THR N N 116.3 0.2 1 820 142 156 ASP H H 8.42 0.01 1 821 142 156 ASP HA H 4.64 0.01 1 822 142 156 ASP C C 176.9 0.2 1 823 142 156 ASP CA C 55 0.2 1 824 142 156 ASP CB C 41.3 0.2 1 825 142 156 ASP N N 123 0.2 1 826 143 157 THR H H 8.16 0.01 1 827 143 157 THR HA H 4.25 0.01 1 828 143 157 THR C C 174.9 0.2 1 829 143 157 THR CA C 62.7 0.2 1 830 143 157 THR CB C 70 0.2 1 831 143 157 THR N N 115.1 0.2 1 832 144 158 LEU H H 8.31 0.01 1 833 144 158 LEU HA H 4.32 0.01 1 834 144 158 LEU C C 177.8 0.2 1 835 144 158 LEU CA C 55.8 0.2 1 836 144 158 LEU CB C 42.3 0.2 1 837 144 158 LEU N N 124.6 0.2 1 838 145 159 LEU H H 8.19 0.01 1 839 145 159 LEU HA H 4.29 0.01 1 840 145 159 LEU C C 177.6 0.2 1 841 145 159 LEU CA C 55.8 0.2 1 842 145 159 LEU CB C 42.6 0.2 1 843 145 159 LEU N N 122.7 0.2 1 844 146 160 ASP H H 8.28 0.01 1 845 146 160 ASP HA H 4.53 0.01 1 846 146 160 ASP C C 176.5 0.2 1 847 146 160 ASP CA C 55 0.2 1 848 146 160 ASP CB C 41.3 0.2 1 849 146 160 ASP N N 120.7 0.2 1 850 147 161 GLN H H 8.25 0.01 1 851 147 161 GLN HA H 4.3 0.01 1 852 147 161 GLN C C 176.2 0.2 1 853 147 161 GLN CA C 56.1 0.2 1 854 147 161 GLN CB C 29.7 0.2 1 855 147 161 GLN N N 120.3 0.2 1 856 148 162 LEU H H 8.28 0.01 1 857 148 162 LEU HA H 4.33 0.01 1 858 148 162 LEU C C 177.5 0.2 1 859 148 162 LEU CA C 55.7 0.2 1 860 148 162 LEU CB C 42.8 0.2 1 861 148 162 LEU N N 123.3 0.2 1 862 149 163 ASP H H 8.38 0.01 1 863 149 163 ASP HA H 4.61 0.01 1 864 149 163 ASP C C 176.3 0.2 1 865 149 163 ASP CA C 54.9 0.2 1 866 149 163 ASP CB C 41.4 0.2 1 867 149 163 ASP N N 120.9 0.2 1 868 150 164 THR H H 7.94 0.01 1 869 150 164 THR HA H 4.25 0.01 1 870 150 164 THR C C 173.6 0.2 1 871 150 164 THR CA C 61.9 0.2 1 872 150 164 THR CB C 70.2 0.2 1 873 150 164 THR N N 113.5 0.2 1 stop_ save_