data_25689 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 15N and 13C resonance assignments of the C-terminal domain of the TolAIII domain of Vibrio cholerae. ; _BMRB_accession_number 25689 _BMRB_flat_file_name bmr25689.str _Entry_type original _Submission_date 2015-07-02 _Accession_date 2015-07-02 _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 Nouailler Matthieu . . 2 Navarro Romain . . 3 Bornet Olivier . . 4 Houot Laetitia . . 5 LLoubes Roland . . 6 Guerlesquin Francoise . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 652 "13C chemical shifts" 477 "15N chemical shifts" 123 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2016-11-01 original BMRB . stop_ _Original_release_date 2016-11-01 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; (1)H, (15)N and (13)C resonance assignments of the C-terminal domain of Vibrio cholerae TolA protein ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 27436120 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Navarro Romain . . 2 Bornet Olivier . . 3 Houot Laetitia . . 4 LLoubes Roland . . 5 Guerlesquin Francoise . . 6 Nouailler Matthieu . . stop_ _Journal_abbreviation 'Biomol. NMR Assign.' _Journal_volume 10 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 311 _Page_last 313 _Year 2016 _Details . loop_ _Keyword TolA Vibrio cholerae domain heteronuclear stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name TolAIII _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label TolAIII $TolAIII 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_TolAIII _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common TolAIII _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 128 _Mol_residue_sequence ; AEFAALNDIFGSLSEESQQN NAARQQFVTSEVGRYGAIYT QLIRQNLLVEDSFRGKQCRV NLKLIPTGTGALLGSLTVLD GDSRLCAATKRAVAQVNSFP LPKDQPDVVEKLKNINLTVA PEHHHHHH ; loop_ _Residue_seq_code _Residue_label 1 ALA 2 GLU 3 PHE 4 ALA 5 ALA 6 LEU 7 ASN 8 ASP 9 ILE 10 PHE 11 GLY 12 SER 13 LEU 14 SER 15 GLU 16 GLU 17 SER 18 GLN 19 GLN 20 ASN 21 ASN 22 ALA 23 ALA 24 ARG 25 GLN 26 GLN 27 PHE 28 VAL 29 THR 30 SER 31 GLU 32 VAL 33 GLY 34 ARG 35 TYR 36 GLY 37 ALA 38 ILE 39 TYR 40 THR 41 GLN 42 LEU 43 ILE 44 ARG 45 GLN 46 ASN 47 LEU 48 LEU 49 VAL 50 GLU 51 ASP 52 SER 53 PHE 54 ARG 55 GLY 56 LYS 57 GLN 58 CYS 59 ARG 60 VAL 61 ASN 62 LEU 63 LYS 64 LEU 65 ILE 66 PRO 67 THR 68 GLY 69 THR 70 GLY 71 ALA 72 LEU 73 LEU 74 GLY 75 SER 76 LEU 77 THR 78 VAL 79 LEU 80 ASP 81 GLY 82 ASP 83 SER 84 ARG 85 LEU 86 CYS 87 ALA 88 ALA 89 THR 90 LYS 91 ARG 92 ALA 93 VAL 94 ALA 95 GLN 96 VAL 97 ASN 98 SER 99 PHE 100 PRO 101 LEU 102 PRO 103 LYS 104 ASP 105 GLN 106 PRO 107 ASP 108 VAL 109 VAL 110 GLU 111 LYS 112 LEU 113 LYS 114 ASN 115 ILE 116 ASN 117 LEU 118 THR 119 VAL 120 ALA 121 PRO 122 GLU 123 HIS 124 HIS 125 HIS 126 HIS 127 HIS 128 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 $TolAIII g-proteobacteria 666 bacteria . vibrio cholerae 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 $TolAIII 'recombinant technology' . Escherichia coli BL21 pinTolAIII stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1_1H _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $TolAIII 1 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' NaCl 50 mM 'natural abundance' NaPo4 50 mM 'natural abundance' stop_ save_ save_sample_13C15N _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $TolAIII 0.6 mM '[U-100% 13C; U-100% 15N]' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version 2.1 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AMX _Field_strength 950 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AMX _Field_strength 600 _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_13C15N save_ save_2D_1H-1H_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_1_1H save_ save_3D_HNCO_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_13C15N save_ save_3D_HNCA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_13C15N save_ save_3D_HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_13C15N save_ save_3D_HN(CO)CA_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_13C15N save_ save_3D_HCCH-TOCSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_13C15N save_ save_3D_HNHA_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHA' _Sample_label $sample_13C15N save_ save_3D_1H-13C_NOESY_aromatic_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _Sample_label $sample_13C15N save_ save_3D_1H-13C_NOESY_aliphatic_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_13C15N save_ save_3D_1H-13C_NOESY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_13C15N save_ save_3D_1H-15N_NOESY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_13C15N save_ save_2D_1H-13C_HSQC_13 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_13C15N save_ save_2D_1H-13C_HSQC_aromatic_14 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aromatic' _Sample_label $sample_13C15N save_ save_2D_1H-1H_TOCSY_15 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _Sample_label $sample_1_1H save_ save_3D_CBCA(CO)NH_16 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_13C15N 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' 0.05 . M pH 6.9 . pH pressure 1 . atm temperature 300 . 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 water C 13 protons ppm 4.7 internal indirect . . . 0.251449530 water H 1 protons ppm 4.7 internal direct . . . 1 water N 15 protons ppm 4.7 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 HNCO' '3D HNCA' '3D HNCACB' '3D HN(CO)CA' '3D HCCH-TOCSY' '3D HNHA' '3D 1H-13C NOESY aromatic' '3D 1H-13C NOESY aliphatic' '3D 1H-15N NOESY' '2D 1H-1H TOCSY' '3D CBCA(CO)NH' stop_ loop_ _Sample_label $sample_13C15N $sample_1_1H stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name TolAIII _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 1 ALA H H 8.221 0.020 1 2 1 1 ALA HA H 4.094 0.020 1 3 1 1 ALA HB H 1.243 0.020 1 4 1 1 ALA C C 178.703 0.3 1 5 1 1 ALA CA C 52.535 0.3 1 6 1 1 ALA CB C 18.396 0.3 1 7 1 1 ALA N N 128.788 0.3 1 8 2 2 GLU H H 8.447 0.020 1 9 2 2 GLU HA H 3.995 0.020 1 10 2 2 GLU HB2 H 1.593 0.020 1 11 2 2 GLU HB3 H 1.593 0.020 1 12 2 2 GLU HG2 H 1.866 0.020 2 13 2 2 GLU HG3 H 1.983 0.020 2 14 2 2 GLU C C 176.644 0.3 1 15 2 2 GLU CA C 56.649 0.3 1 16 2 2 GLU CB C 29.102 0.3 1 17 2 2 GLU CG C 35.481 0.3 1 18 2 2 GLU N N 119.356 0.3 1 19 3 3 PHE H H 7.959 0.020 1 20 3 3 PHE HA H 4.435 0.020 1 21 3 3 PHE HB2 H 3.030 0.020 2 22 3 3 PHE HB3 H 2.886 0.020 2 23 3 3 PHE HD1 H 7.020 0.020 1 24 3 3 PHE HD2 H 7.020 0.020 1 25 3 3 PHE HE1 H 7.137 0.020 1 26 3 3 PHE HE2 H 7.137 0.020 1 27 3 3 PHE C C 175.831 0.3 1 28 3 3 PHE CA C 57.280 0.3 1 29 3 3 PHE CB C 38.622 0.3 1 30 3 3 PHE CD1 C 131.987 0.3 1 31 3 3 PHE CD2 C 131.987 0.3 1 32 3 3 PHE CE1 C 131.327 0.3 1 33 3 3 PHE CE2 C 131.327 0.3 1 34 3 3 PHE N N 120.515 0.3 1 35 4 4 ALA H H 7.960 0.020 1 36 4 4 ALA HA H 4.069 0.020 1 37 4 4 ALA HB H 1.262 0.020 1 38 4 4 ALA C C 177.403 0.3 1 39 4 4 ALA CA C 52.288 0.3 1 40 4 4 ALA CB C 18.410 0.3 1 41 4 4 ALA N N 124.881 0.3 1 42 5 5 ALA H H 7.981 0.020 1 43 5 5 ALA HA H 4.099 0.020 1 44 5 5 ALA HB H 1.253 0.020 1 45 5 5 ALA C C 177.972 0.3 1 46 5 5 ALA CA C 52.102 0.3 1 47 5 5 ALA CB C 18.396 0.3 1 48 5 5 ALA N N 122.422 0.3 1 49 6 6 LEU H H 7.924 0.020 1 50 6 6 LEU HA H 4.118 0.020 1 51 6 6 LEU HB2 H 1.527 0.020 2 52 6 6 LEU HB3 H 1.408 0.020 2 53 6 6 LEU HG H 1.261 0.020 1 54 6 6 LEU HD1 H 0.777 0.020 2 55 6 6 LEU HD2 H 0.702 0.020 2 56 6 6 LEU C C 177.240 0.3 1 57 6 6 LEU CA C 54.988 0.3 1 58 6 6 LEU CB C 41.568 0.3 1 59 6 6 LEU CG C 26.118 0.3 1 60 6 6 LEU CD1 C 22.711 0.3 1 61 6 6 LEU CD2 C 24.415 0.3 1 62 6 6 LEU N N 120.587 0.3 1 63 7 7 ASN H H 8.094 0.020 1 64 7 7 ASN HA H 4.528 0.020 1 65 7 7 ASN HB2 H 2.637 0.020 2 66 7 7 ASN HB3 H 2.519 0.020 2 67 7 7 ASN HD21 H 7.267 0.020 1 68 7 7 ASN HD22 H 6.423 0.020 1 69 7 7 ASN C C 174.801 0.3 1 70 7 7 ASN CA C 52.807 0.3 1 71 7 7 ASN CB C 38.503 0.3 1 72 7 7 ASN N N 118.479 0.3 1 73 7 7 ASN ND2 N 111.427 0.3 1 74 8 8 ASP H H 8.112 0.020 1 75 8 8 ASP HA H 4.447 0.020 1 76 8 8 ASP HB2 H 2.519 0.020 2 77 8 8 ASP HB3 H 2.472 0.020 2 78 8 8 ASP C C 176.373 0.3 1 79 8 8 ASP CA C 53.679 0.3 1 80 8 8 ASP CB C 40.423 0.3 1 81 8 8 ASP N N 120.817 0.3 1 82 9 9 ILE H H 7.788 0.020 1 83 9 9 ILE HA H 3.905 0.020 1 84 9 9 ILE HB H 1.588 0.020 1 85 9 9 ILE HG12 H 1.010 0.020 2 86 9 9 ILE HG13 H 0.877 0.020 2 87 9 9 ILE HG2 H 0.826 0.020 1 88 9 9 ILE HD1 H 0.594 0.020 1 89 9 9 ILE C C 176.373 0.3 1 90 9 9 ILE CA C 61.208 0.3 1 91 9 9 ILE CB C 37.722 0.3 1 92 9 9 ILE CG1 C 26.271 0.3 1 93 9 9 ILE CG2 C 16.685 0.3 1 94 9 9 ILE CD1 C 12.547 0.3 1 95 9 9 ILE N N 120.073 0.3 1 96 10 10 PHE H H 8.128 0.020 1 97 10 10 PHE HA H 4.516 0.020 1 98 10 10 PHE HB2 H 3.114 0.020 2 99 10 10 PHE HB3 H 2.881 0.020 2 100 10 10 PHE HD1 H 7.159 0.020 1 101 10 10 PHE HD2 H 7.159 0.020 1 102 10 10 PHE HE1 H 7.178 0.020 1 103 10 10 PHE HE2 H 7.178 0.020 1 104 10 10 PHE HZ H 7.115 0.020 1 105 10 10 PHE C C 176.427 0.3 1 106 10 10 PHE CA C 57.525 0.3 1 107 10 10 PHE CB C 38.459 0.3 1 108 10 10 PHE CD1 C 131.327 0.3 1 109 10 10 PHE CD2 C 131.327 0.3 1 110 10 10 PHE CE1 C 131.884 0.3 1 111 10 10 PHE CE2 C 131.884 0.3 1 112 10 10 PHE CZ C 130.376 0.3 1 113 10 10 PHE N N 122.433 0.3 1 114 11 11 GLY H H 8.118 0.020 1 115 11 11 GLY HA2 H 3.804 0.020 1 116 11 11 GLY HA3 H 3.804 0.020 1 117 11 11 GLY C C 174.178 0.3 1 118 11 11 GLY CA C 44.960 0.3 1 119 11 11 GLY N N 110.211 0.3 1 120 12 12 SER H H 8.100 0.020 1 121 12 12 SER HA H 4.336 0.020 1 122 12 12 SER HB2 H 3.778 0.020 1 123 12 12 SER HB3 H 3.778 0.020 1 124 12 12 SER C C 174.611 0.3 1 125 12 12 SER CA C 57.793 0.3 1 126 12 12 SER CB C 63.188 0.3 1 127 12 12 SER N N 115.850 0.3 1 128 13 13 LEU H H 8.217 0.020 1 129 13 13 LEU HA H 4.255 0.020 1 130 13 13 LEU HB2 H 1.452 0.020 1 131 13 13 LEU HB3 H 1.452 0.020 1 132 13 13 LEU HG H 1.531 0.020 1 133 13 13 LEU HD1 H 0.730 0.020 1 134 13 13 LEU HD2 H 0.730 0.020 1 135 13 13 LEU C C 177.457 0.3 1 136 13 13 LEU CA C 54.661 0.3 1 137 13 13 LEU CB C 41.568 0.3 1 138 13 13 LEU CG C 26.339 0.3 1 139 13 13 LEU CD1 C 24.469 0.3 1 140 13 13 LEU CD2 C 22.843 0.3 1 141 13 13 LEU N N 123.994 0.3 1 142 14 14 SER H H 8.203 0.020 1 143 14 14 SER HA H 4.293 0.020 1 144 14 14 SER HB2 H 3.828 0.020 2 145 14 14 SER HB3 H 3.745 0.020 2 146 14 14 SER C C 174.855 0.3 1 147 14 14 SER CA C 57.793 0.3 1 148 14 14 SER CB C 63.270 0.3 1 149 14 14 SER N N 116.833 0.3 1 150 15 15 GLU H H 8.454 0.020 1 151 15 15 GLU HA H 4.094 0.020 1 152 15 15 GLU HB2 H 1.945 0.020 2 153 15 15 GLU HB3 H 1.839 0.020 2 154 15 15 GLU HG2 H 2.141 0.020 2 155 15 15 GLU HG3 H 2.112 0.020 2 156 15 15 GLU C C 177.240 0.3 1 157 15 15 GLU CA C 57.116 0.3 1 158 15 15 GLU CB C 29.376 0.3 1 159 15 15 GLU CG C 35.609 0.3 1 160 15 15 GLU N N 123.307 0.3 1 161 16 16 GLU H H 8.404 0.020 1 162 16 16 GLU HA H 4.095 0.020 1 163 16 16 GLU HB2 H 1.918 0.020 2 164 16 16 GLU HB3 H 1.826 0.020 2 165 16 16 GLU HG2 H 2.148 0.020 1 166 16 16 GLU HG3 H 2.148 0.020 1 167 16 16 GLU C C 177.240 0.3 1 168 16 16 GLU CA C 57.012 0.3 1 169 16 16 GLU CB C 29.348 0.3 1 170 16 16 GLU CG C 35.528 0.3 1 171 16 16 GLU N N 121.348 0.3 1 172 17 17 SER H H 8.142 0.020 1 173 17 17 SER HA H 4.268 0.020 1 174 17 17 SER HB2 H 3.822 0.020 2 175 17 17 SER HB3 H 3.766 0.020 2 176 17 17 SER C C 175.316 0.3 1 177 17 17 SER CA C 58.693 0.3 1 178 17 17 SER CB C 62.780 0.3 1 179 17 17 SER N N 116.320 0.3 1 180 18 18 GLN H H 8.219 0.020 1 181 18 18 GLN HA H 4.129 0.020 1 182 18 18 GLN HB2 H 1.972 0.020 2 183 18 18 GLN HB3 H 1.901 0.020 2 184 18 18 GLN HG2 H 2.275 0.020 1 185 18 18 GLN HG3 H 2.275 0.020 1 186 18 18 GLN HE21 H 7.368 0.020 1 187 18 18 GLN HE22 H 6.763 0.020 1 188 18 18 GLN C C 176.888 0.3 1 189 18 18 GLN CA C 56.362 0.3 1 190 18 18 GLN CB C 28.233 0.3 1 191 18 18 GLN CG C 33.095 0.3 1 192 18 18 GLN N N 121.877 0.3 1 193 18 18 GLN NE2 N 112.763 0.3 1 194 19 19 GLN H H 8.200 0.020 1 195 19 19 GLN HA H 4.084 0.020 1 196 19 19 GLN HB2 H 1.932 0.020 1 197 19 19 GLN HB3 H 1.932 0.020 1 198 19 19 GLN HG2 H 2.271 0.020 1 199 19 19 GLN HG3 H 2.271 0.020 1 200 19 19 GLN HE21 H 7.523 0.020 1 201 19 19 GLN HE22 H 6.822 0.020 1 202 19 19 GLN C C 176.535 0.3 1 203 19 19 GLN CA C 56.770 0.3 1 204 19 19 GLN CB C 30.994 0.3 1 205 19 19 GLN CG C 33.897 0.3 1 206 19 19 GLN N N 120.152 0.3 1 207 19 19 GLN NE2 N 113.300 0.3 1 208 21 21 ASN C C 176.075 0.3 1 209 21 21 ASN CA C 53.846 0.3 1 210 21 21 ASN CB C 37.908 0.3 1 211 22 22 ALA H H 8.262 0.020 1 212 22 22 ALA HA H 4.279 0.020 1 213 22 22 ALA HB H 1.491 0.020 1 214 22 22 ALA C C 179.516 0.3 1 215 22 22 ALA CA C 54.444 0.3 1 216 22 22 ALA CB C 17.583 0.3 1 217 22 22 ALA N N 124.411 0.3 1 218 23 23 ALA H H 8.125 0.020 1 219 23 23 ALA HA H 4.518 0.020 1 220 23 23 ALA HB H 1.366 0.020 1 221 23 23 ALA C C 180.438 0.3 1 222 23 23 ALA CA C 53.843 0.3 1 223 23 23 ALA CB C 17.510 0.3 1 224 23 23 ALA N N 121.621 0.3 1 225 24 24 ARG H H 8.087 0.020 1 226 24 24 ARG HA H 4.160 0.020 1 227 24 24 ARG HB2 H 1.960 0.020 1 228 24 24 ARG HB3 H 1.960 0.020 1 229 24 24 ARG HG2 H 1.850 0.020 1 230 24 24 ARG HG3 H 1.850 0.020 1 231 24 24 ARG HD2 H 2.461 0.020 1 232 24 24 ARG HD3 H 2.461 0.020 1 233 24 24 ARG C C 177.999 0.3 1 234 24 24 ARG CA C 57.280 0.3 1 235 24 24 ARG CB C 28.803 0.3 1 236 24 24 ARG CG C 25.469 0.3 1 237 24 24 ARG CD C 41.298 0.3 1 238 24 24 ARG N N 120.543 0.3 1 239 25 25 GLN H H 8.158 0.020 1 240 25 25 GLN HA H 3.995 0.020 1 241 25 25 GLN HB2 H 2.078 0.020 1 242 25 25 GLN HB3 H 2.078 0.020 1 243 25 25 GLN HG2 H 2.386 0.020 2 244 25 25 GLN HG3 H 2.323 0.020 2 245 25 25 GLN HE21 H 7.397 0.020 1 246 25 25 GLN HE22 H 6.800 0.020 1 247 25 25 GLN C C 178.595 0.3 1 248 25 25 GLN CA C 58.232 0.3 1 249 25 25 GLN CB C 27.502 0.3 1 250 25 25 GLN CG C 33.319 0.3 1 251 25 25 GLN N N 118.694 0.3 1 252 25 25 GLN NE2 N 112.155 0.3 1 253 26 26 GLN H H 8.004 0.020 1 254 26 26 GLN HA H 4.001 0.020 1 255 26 26 GLN HB2 H 2.090 0.020 1 256 26 26 GLN HB3 H 2.090 0.020 1 257 26 26 GLN HG2 H 2.369 0.020 1 258 26 26 GLN HG3 H 2.369 0.020 1 259 26 26 GLN HE21 H 7.410 0.020 1 260 26 26 GLN HE22 H 6.726 0.020 1 261 26 26 GLN C C 178.161 0.3 1 262 26 26 GLN CA C 58.044 0.3 1 263 26 26 GLN CB C 27.908 0.3 1 264 26 26 GLN CG C 33.014 0.3 1 265 26 26 GLN N N 119.621 0.3 1 266 26 26 GLN NE2 N 113.316 0.3 1 267 27 27 PHE H H 7.884 0.020 1 268 27 27 PHE HA H 4.242 0.020 1 269 27 27 PHE HB2 H 3.196 0.020 2 270 27 27 PHE HB3 H 3.175 0.020 2 271 27 27 PHE HD1 H 7.098 0.020 1 272 27 27 PHE HD2 H 7.098 0.020 1 273 27 27 PHE HE1 H 7.300 0.020 1 274 27 27 PHE HE2 H 7.300 0.020 1 275 27 27 PHE HZ H 7.180 0.020 1 276 27 27 PHE C C 176.806 0.3 1 277 27 27 PHE CA C 60.559 0.3 1 278 27 27 PHE CB C 38.151 0.3 1 279 27 27 PHE CD1 C 131.333 0.3 1 280 27 27 PHE CD2 C 131.333 0.3 1 281 27 27 PHE CE1 C 131.642 0.3 1 282 27 27 PHE CE2 C 131.642 0.3 1 283 27 27 PHE CZ C 131.635 0.3 1 284 27 27 PHE N N 122.304 0.3 1 285 28 28 VAL H H 8.534 0.020 1 286 28 28 VAL HA H 3.166 0.020 1 287 28 28 VAL HB H 2.085 0.020 1 288 28 28 VAL HG1 H 1.006 0.020 2 289 28 28 VAL HG2 H 0.759 0.020 2 290 28 28 VAL C C 177.484 0.3 1 291 28 28 VAL CA C 66.376 0.3 1 292 28 28 VAL CB C 31.064 0.3 1 293 28 28 VAL CG1 C 22.88 0.3 1 294 28 28 VAL CG2 C 22.880 0.3 1 295 28 28 VAL N N 120.477 0.3 1 296 29 29 THR H H 8.123 0.020 1 297 29 29 THR HA H 3.686 0.020 1 298 29 29 THR HB H 4.150 0.020 1 299 29 29 THR HG2 H 1.151 0.020 1 300 29 29 THR C C 177.321 0.3 1 301 29 29 THR CA C 66.540 0.3 1 302 29 29 THR CB C 68.174 0.3 1 303 29 29 THR N N 114.839 0.3 1 304 30 30 SER H H 8.041 0.020 1 305 30 30 SER HA H 4.135 0.020 1 306 30 30 SER HB2 H 3.912 0.020 1 307 30 30 SER HB3 H 3.912 0.020 1 308 30 30 SER C C 177.240 0.3 1 309 30 30 SER CA C 60.736 0.3 1 310 30 30 SER CB C 62.126 0.3 1 311 30 30 SER N N 118.778 0.3 1 312 31 31 GLU H H 8.486 0.020 1 313 31 31 GLU HA H 4.275 0.020 1 314 31 31 GLU HB2 H 1.886 0.020 1 315 31 31 GLU HB3 H 1.886 0.020 1 316 31 31 GLU HG2 H 2.102 0.020 1 317 31 31 GLU HG3 H 2.102 0.020 1 318 31 31 GLU C C 179.029 0.3 1 319 31 31 GLU CA C 57.771 0.3 1 320 31 31 GLU CB C 30.112 0.3 1 321 31 31 GLU CG C 35.762 0.3 1 322 31 31 GLU N N 125.069 0.3 1 323 32 32 VAL H H 8.664 0.020 1 324 32 32 VAL HA H 3.452 0.020 1 325 32 32 VAL HB H 2.090 0.020 1 326 32 32 VAL HG1 H 0.962 0.020 2 327 32 32 VAL HG2 H 0.738 0.020 2 328 32 32 VAL C C 179.056 0.3 1 329 32 32 VAL CA C 66.363 0.3 1 330 32 32 VAL CB C 30.685 0.3 1 331 32 32 VAL CG1 C 24.391 0.3 1 332 32 32 VAL CG2 C 20.444 0.3 1 333 32 32 VAL N N 121.762 0.3 1 334 33 33 GLY H H 7.694 0.020 1 335 33 33 GLY HA2 H 3.776 0.020 2 336 33 33 GLY HA3 H 3.732 0.020 2 337 33 33 GLY C C 176.319 0.3 1 338 33 33 GLY CA C 46.431 0.3 1 339 33 33 GLY N N 106.787 0.3 1 340 34 34 ARG H H 8.088 0.020 1 341 34 34 ARG HA H 3.843 0.020 1 342 34 34 ARG HB2 H 1.855 0.020 1 343 34 34 ARG HB3 H 1.855 0.020 1 344 34 34 ARG HG2 H 1.706 0.020 1 345 34 34 ARG HG3 H 1.706 0.020 1 346 34 34 ARG HD2 H 3.104 0.020 1 347 34 34 ARG HD3 H 3.104 0.020 1 348 34 34 ARG HE H 7.798 0.020 1 349 34 34 ARG HH11 H 6.981 0.020 1 350 34 34 ARG HH12 H 6.981 0.020 1 351 34 34 ARG HH21 H 6.981 0.020 1 352 34 34 ARG HH22 H 6.981 0.020 1 353 34 34 ARG C C 179.543 0.3 1 354 34 34 ARG CA C 59.325 0.3 1 355 34 34 ARG CB C 30.439 0.3 1 356 34 34 ARG CG C 27.399 0.3 1 357 34 34 ARG CD C 42.623 0.3 1 358 34 34 ARG N N 125.134 0.3 1 359 35 35 TYR H H 8.476 0.020 1 360 35 35 TYR HA H 3.545 0.020 1 361 35 35 TYR HB2 H 2.601 0.020 2 362 35 35 TYR HB3 H 2.131 0.020 2 363 35 35 TYR HD1 H 7.010 0.020 1 364 35 35 TYR HD2 H 7.010 0.020 1 365 35 35 TYR HE1 H 6.520 0.020 1 366 35 35 TYR HE2 H 6.520 0.020 1 367 35 35 TYR C C 177.294 0.3 1 368 35 35 TYR CA C 62.616 0.3 1 369 35 35 TYR CB C 37.930 0.3 1 370 35 35 TYR CE1 C 116.765 0.3 1 371 35 35 TYR CE2 C 117.363 0.3 1 372 35 35 TYR N N 119.089 0.3 1 373 36 36 GLY H H 8.598 0.020 1 374 36 36 GLY HA2 H 3.770 0.020 2 375 36 36 GLY HA3 H 3.293 0.020 2 376 36 36 GLY C C 176.644 0.3 1 377 36 36 GLY CA C 47.085 0.3 1 378 36 36 GLY N N 107.193 0.3 1 379 37 37 ALA H H 7.617 0.020 1 380 37 37 ALA HA H 4.118 0.020 1 381 37 37 ALA HB H 1.386 0.020 1 382 37 37 ALA C C 180.654 0.3 1 383 37 37 ALA CA C 54.661 0.3 1 384 37 37 ALA CB C 17.019 0.3 1 385 37 37 ALA N N 125.060 0.3 1 386 38 38 ILE H H 7.559 0.020 1 387 38 38 ILE HA H 3.590 0.020 1 388 38 38 ILE HB H 1.850 0.020 1 389 38 38 ILE HG12 H 1.526 0.020 2 390 38 38 ILE HG13 H 0.916 0.020 2 391 38 38 ILE HG2 H 0.778 0.020 1 392 38 38 ILE HD1 H 0.216 0.020 1 393 38 38 ILE C C 178.866 0.3 1 394 38 38 ILE CA C 64.972 0.3 1 395 38 38 ILE CB C 37.149 0.3 1 396 38 38 ILE CG1 C 28.150 0.3 1 397 38 38 ILE CG2 C 16.177 0.3 1 398 38 38 ILE CD1 C 11.868 0.3 1 399 38 38 ILE N N 122.873 0.3 1 400 39 39 TYR H H 9.151 0.020 1 401 39 39 TYR HA H 4.463 0.020 1 402 39 39 TYR HB2 H 3.383 0.020 2 403 39 39 TYR HB3 H 3.005 0.020 2 404 39 39 TYR HD1 H 6.995 0.020 1 405 39 39 TYR HD2 H 6.995 0.020 1 406 39 39 TYR HE1 H 6.796 0.020 1 407 39 39 TYR HE2 H 6.796 0.020 1 408 39 39 TYR C C 178.405 0.3 1 409 39 39 TYR CA C 57.525 0.3 1 410 39 39 TYR CB C 35.758 0.3 1 411 39 39 TYR CE1 C 119.750 0.3 1 412 39 39 TYR CE2 C 119.750 0.3 1 413 39 39 TYR N N 120.413 0.3 1 414 40 40 THR H H 8.389 0.020 1 415 40 40 THR HA H 3.687 0.020 1 416 40 40 THR HB H 4.333 0.020 1 417 40 40 THR HG2 H 1.251 0.020 1 418 40 40 THR C C 175.912 0.3 1 419 40 40 THR CA C 67.030 0.3 1 420 40 40 THR CB C 68.256 0.3 1 421 40 40 THR N N 114.445 0.3 1 422 41 41 GLN H H 7.947 0.020 1 423 41 41 GLN HA H 3.940 0.020 1 424 41 41 GLN HB2 H 2.177 0.020 1 425 41 41 GLN HB3 H 2.177 0.020 1 426 41 41 GLN HG2 H 2.300 0.020 1 427 41 41 GLN HG3 H 2.300 0.020 1 428 41 41 GLN HE21 H 7.350 0.020 1 429 41 41 GLN HE22 H 6.753 0.020 1 430 41 41 GLN C C 178.026 0.3 1 431 41 41 GLN CA C 58.650 0.3 1 432 41 41 GLN CB C 27.095 0.3 1 433 41 41 GLN CG C 32.932 0.3 1 434 41 41 GLN N N 122.996 0.3 1 435 41 41 GLN NE2 N 112.432 0.3 1 436 42 42 LEU H H 8.345 0.020 1 437 42 42 LEU HA H 3.935 0.020 1 438 42 42 LEU HB2 H 1.485 0.020 2 439 42 42 LEU HB3 H 1.408 0.020 2 440 42 42 LEU HG H 1.525 0.020 1 441 42 42 LEU HD1 H 1.103 0.020 1 442 42 42 LEU HD2 H 1.103 0.020 1 443 42 42 LEU C C 179.272 0.3 1 444 42 42 LEU CA C 57.385 0.3 1 445 42 42 LEU CB C 41.200 0.3 1 446 42 42 LEU CG C 29.120 0.3 1 447 42 42 LEU CD1 C 24.634 0.3 1 448 42 42 LEU N N 120.684 0.3 1 449 43 43 ILE H H 7.865 0.020 1 450 43 43 ILE HA H 3.201 0.020 1 451 43 43 ILE HB H 1.827 0.020 1 452 43 43 ILE HG12 H 1.248 0.020 1 453 43 43 ILE HG13 H 1.248 0.020 1 454 43 43 ILE HG2 H 0.714 0.020 1 455 43 43 ILE HD1 H 0.645 0.020 1 456 43 43 ILE C C 178.080 0.3 1 457 43 43 ILE CA C 65.372 0.3 1 458 43 43 ILE CB C 37.873 0.3 1 459 43 43 ILE CG1 C 28.808 0.3 1 460 43 43 ILE CD1 C 17.531 0.3 1 461 43 43 ILE N N 118.092 0.3 1 462 44 44 ARG H H 8.629 0.020 1 463 44 44 ARG HA H 3.677 0.020 1 464 44 44 ARG HB2 H 1.709 0.020 2 465 44 44 ARG HB3 H 1.469 0.020 2 466 44 44 ARG HG2 H 1.880 0.020 1 467 44 44 ARG HG3 H 1.880 0.020 1 468 44 44 ARG HD2 H 3.163 0.020 1 469 44 44 ARG HD3 H 3.163 0.020 1 470 44 44 ARG C C 179.110 0.3 1 471 44 44 ARG CA C 59.183 0.3 1 472 44 44 ARG CB C 29.511 0.3 1 473 44 44 ARG CG C 27.587 0.3 1 474 44 44 ARG CD C 42.811 0.3 1 475 44 44 ARG N N 119.135 0.3 1 476 45 45 GLN H H 8.162 0.020 1 477 45 45 GLN HA H 4.012 0.020 1 478 45 45 GLN HB2 H 1.969 0.020 2 479 45 45 GLN HB3 H 1.736 0.020 2 480 45 45 GLN HG2 H 2.421 0.020 1 481 45 45 GLN HG3 H 2.421 0.020 1 482 45 45 GLN C C 176.264 0.3 1 483 45 45 GLN CA C 57.385 0.3 1 484 45 45 GLN CB C 27.549 0.3 1 485 45 45 GLN CG C 33.176 0.3 1 486 45 45 GLN N N 117.363 0.3 1 487 46 46 ASN H H 7.344 0.020 1 488 46 46 ASN HA H 4.712 0.020 1 489 46 46 ASN HB2 H 2.870 0.020 2 490 46 46 ASN HB3 H 2.435 0.020 2 491 46 46 ASN HD21 H 7.397 0.020 1 492 46 46 ASN HD22 H 6.751 0.020 1 493 46 46 ASN C C 173.284 0.3 1 494 46 46 ASN CA C 52.644 0.3 1 495 46 46 ASN CB C 40.546 0.3 1 496 46 46 ASN N N 115.368 0.3 1 497 46 46 ASN ND2 N 111.427 0.3 1 498 47 47 LEU H H 7.316 0.020 1 499 47 47 LEU HA H 4.052 0.020 1 500 47 47 LEU HB2 H 1.669 0.020 2 501 47 47 LEU HB3 H 1.623 0.020 2 502 47 47 LEU HG H 1.430 0.020 1 503 47 47 LEU HD1 H 0.582 0.020 2 504 47 47 LEU HD2 H 0.536 0.020 2 505 47 47 LEU C C 175.533 0.3 1 506 47 47 LEU CA C 54.743 0.3 1 507 47 47 LEU CB C 43.778 0.3 1 508 47 47 LEU CG C 26.967 0.3 1 509 47 47 LEU CD1 C 26.177 0.3 1 510 47 47 LEU CD2 C 24.673 0.3 1 511 47 47 LEU N N 123.074 0.3 1 512 48 48 LEU H H 8.123 0.020 1 513 48 48 LEU HA H 4.423 0.020 1 514 48 48 LEU HB2 H 1.548 0.020 2 515 48 48 LEU HB3 H 1.466 0.020 2 516 48 48 LEU HG H 1.430 0.020 1 517 48 48 LEU HD1 H 0.784 0.020 2 518 48 48 LEU HD2 H 0.741 0.020 2 519 48 48 LEU C C 175.750 0.3 1 520 48 48 LEU CA C 54.006 0.3 1 521 48 48 LEU CB C 39.932 0.3 1 522 48 48 LEU CG C 26.362 0.3 1 523 48 48 LEU CD1 C 23.604 0.3 1 524 48 48 LEU N N 128.887 0.3 1 525 49 49 VAL H H 8.311 0.020 1 526 49 49 VAL HA H 3.712 0.020 1 527 49 49 VAL HB H 1.904 0.020 1 528 49 49 VAL HG1 H 0.874 0.020 2 529 49 49 VAL HG2 H 0.729 0.020 2 530 49 49 VAL C C 174.910 0.3 1 531 49 49 VAL CA C 63.090 0.3 1 532 49 49 VAL CB C 31.667 0.3 1 533 49 49 VAL CG1 C 21.384 0.3 1 534 49 49 VAL N N 124.612 0.3 1 535 50 50 GLU H H 5.776 0.020 1 536 50 50 GLU HA H 4.204 0.020 1 537 50 50 GLU HB2 H 1.581 0.020 1 538 50 50 GLU HB3 H 1.581 0.020 1 539 50 50 GLU HG2 H 1.489 0.020 1 540 50 50 GLU HG3 H 1.489 0.020 1 541 50 50 GLU C C 176.940 0.3 1 542 50 50 GLU CA C 53.530 0.3 1 543 50 50 GLU CB C 30.736 0.3 1 544 50 50 GLU CG C 35.238 0.3 1 545 50 50 GLU N N 124.790 0.3 1 546 52 52 SER C C 175.313 0.3 1 547 52 52 SER CA C 59.814 0.3 1 548 52 52 SER CB C 62.092 0.3 1 549 53 53 PHE H H 7.654 0.020 1 550 53 53 PHE HA H 4.523 0.020 1 551 53 53 PHE HB2 H 3.215 0.020 2 552 53 53 PHE HB3 H 3.173 0.020 2 553 53 53 PHE HD1 H 6.963 0.020 1 554 53 53 PHE HD2 H 6.963 0.020 1 555 53 53 PHE HE1 H 7.249 0.020 1 556 53 53 PHE HE2 H 7.249 0.020 1 557 53 53 PHE HZ H 7.126 0.020 1 558 53 53 PHE C C 175.858 0.3 1 559 53 53 PHE CA C 54.088 0.3 1 560 53 53 PHE CB C 37.313 0.3 1 561 53 53 PHE CD1 C 129.611 0.3 1 562 53 53 PHE CD2 C 129.611 0.3 1 563 53 53 PHE CE1 C 131.326 0.3 1 564 53 53 PHE CE2 C 131.326 0.3 1 565 53 53 PHE CZ C 131.407 0.3 1 566 53 53 PHE N N 118.556 0.3 1 567 54 54 ARG H H 7.301 0.020 1 568 54 54 ARG HA H 3.772 0.020 1 569 54 54 ARG HB2 H 1.693 0.020 2 570 54 54 ARG HB3 H 1.665 0.020 2 571 54 54 ARG HG2 H 1.537 0.020 2 572 54 54 ARG HG3 H 1.338 0.020 2 573 54 54 ARG HD2 H 2.989 0.020 1 574 54 54 ARG HD3 H 2.989 0.020 1 575 54 54 ARG HE H 7.977 0.020 1 576 54 54 ARG C C 177.321 0.3 1 577 54 54 ARG CA C 58.098 0.3 1 578 54 54 ARG CB C 28.639 0.3 1 579 54 54 ARG CG C 27.023 0.3 1 580 54 54 ARG CD C 42.623 0.3 1 581 54 54 ARG N N 119.265 0.3 1 582 55 55 GLY H H 8.811 0.020 1 583 55 55 GLY HA2 H 3.993 0.020 2 584 55 55 GLY HA3 H 3.596 0.020 2 585 55 55 GLY C C 173.988 0.3 1 586 55 55 GLY CA C 45.062 0.3 1 587 55 55 GLY N N 113.315 0.3 1 588 56 56 LYS H H 7.760 0.020 1 589 56 56 LYS HA H 4.578 0.020 1 590 56 56 LYS HB2 H 1.806 0.020 1 591 56 56 LYS HB3 H 1.806 0.020 1 592 56 56 LYS HG2 H 1.259 0.020 1 593 56 56 LYS HG3 H 1.259 0.020 1 594 56 56 LYS HD2 H 1.568 0.020 1 595 56 56 LYS HD3 H 1.568 0.020 1 596 56 56 LYS HE2 H 3.011 0.020 1 597 56 56 LYS HE3 H 3.011 0.020 1 598 56 56 LYS C C 174.503 0.3 1 599 56 56 LYS CA C 53.188 0.3 1 600 56 56 LYS CB C 33.713 0.3 1 601 56 56 LYS CG C 24.485 0.3 1 602 56 56 LYS CD C 29.096 0.3 1 603 56 56 LYS CE C 43.031 0.3 1 604 56 56 LYS N N 119.124 0.3 1 605 57 57 GLN H H 8.228 0.020 1 606 57 57 GLN HA H 5.081 0.020 1 607 57 57 GLN HB2 H 1.564 0.020 2 608 57 57 GLN HB3 H 1.798 0.020 2 609 57 57 GLN HG2 H 1.916 0.020 2 610 57 57 GLN HG3 H 2.099 0.020 2 611 57 57 GLN HE21 H 7.420 0.020 1 612 57 57 GLN HE22 H 6.582 0.020 1 613 57 57 GLN C C 174.259 0.3 1 614 57 57 GLN CA C 53.923 0.3 1 615 57 57 GLN CB C 32.298 0.3 1 616 57 57 GLN CG C 32.298 0.3 1 617 57 57 GLN N N 113.644 0.3 1 618 57 57 GLN NE2 N 111.372 0.3 1 619 58 58 CYS H H 8.723 0.020 1 620 58 58 CYS HA H 4.758 0.020 1 621 58 58 CYS HB2 H 3.052 0.020 1 622 58 58 CYS HB3 H 3.052 0.020 1 623 58 58 CYS C C 172.850 0.3 1 624 58 58 CYS CA C 56.813 0.3 1 625 58 58 CYS CB C 47.984 0.3 1 626 58 58 CYS N N 118.957 0.3 1 627 59 59 ARG H H 9.269 0.020 1 628 59 59 ARG HA H 5.210 0.020 1 629 59 59 ARG HB2 H 1.712 0.020 2 630 59 59 ARG HB3 H 1.658 0.020 2 631 59 59 ARG HG2 H 1.535 0.020 2 632 59 59 ARG HG3 H 1.424 0.020 2 633 59 59 ARG HD2 H 2.997 0.020 1 634 59 59 ARG HD3 H 2.997 0.020 1 635 59 59 ARG C C 175.126 0.3 1 636 59 59 ARG CA C 55.122 0.3 1 637 59 59 ARG CB C 31.176 0.3 1 638 59 59 ARG CG C 26.951 0.3 1 639 59 59 ARG CD C 42.905 0.3 1 640 59 59 ARG N N 131.343 0.3 1 641 60 60 VAL H H 8.942 0.020 1 642 60 60 VAL HA H 5.024 0.020 1 643 60 60 VAL HB H 1.796 0.020 1 644 60 60 VAL HG1 H 0.702 0.020 2 645 60 60 VAL HG2 H 0.542 0.020 2 646 60 60 VAL C C 172.742 0.3 1 647 60 60 VAL CA C 57.548 0.3 1 648 60 60 VAL CB C 34.661 0.3 1 649 60 60 VAL CG1 C 22.606 0.3 1 650 60 60 VAL CG2 C 17.470 0.3 1 651 60 60 VAL N N 115.785 0.3 1 652 61 61 ASN H H 9.168 0.020 1 653 61 61 ASN HA H 5.406 0.020 1 654 61 61 ASN HB2 H 2.768 0.020 2 655 61 61 ASN HB3 H 2.193 0.020 2 656 61 61 ASN C C 173.202 0.3 1 657 61 61 ASN CA C 51.961 0.3 1 658 61 61 ASN CB C 42.632 0.3 1 659 61 61 ASN N N 120.420 0.3 1 660 62 62 LEU H H 9.308 0.020 1 661 62 62 LEU HA H 4.736 0.020 1 662 62 62 LEU HB2 H 1.225 0.020 2 663 62 62 LEU HB3 H 1.182 0.020 2 664 62 62 LEU HG H 1.153 0.020 1 665 62 62 LEU HD1 H 0.351 0.020 1 666 62 62 LEU HD2 H 0.351 0.020 1 667 62 62 LEU C C 174.069 0.3 1 668 62 62 LEU CA C 53.316 0.3 1 669 62 62 LEU CB C 43.029 0.3 1 670 62 62 LEU CG C 26.773 0.3 1 671 62 62 LEU CD1 C 24.986 0.3 1 672 62 62 LEU N N 127.932 0.3 1 673 63 63 LYS H H 8.148 0.020 1 674 63 63 LYS HA H 5.208 0.020 1 675 63 63 LYS HB2 H 1.635 0.020 1 676 63 63 LYS HB3 H 1.635 0.020 1 677 63 63 LYS HG2 H 1.371 0.020 1 678 63 63 LYS HG3 H 1.371 0.020 1 679 63 63 LYS HD2 H 1.346 0.020 1 680 63 63 LYS HD3 H 1.346 0.020 1 681 63 63 LYS HE2 H 2.775 0.020 1 682 63 63 LYS HE3 H 2.775 0.020 1 683 63 63 LYS C C 176.698 0.3 1 684 63 63 LYS CA C 53.842 0.3 1 685 63 63 LYS CB C 32.786 0.3 1 686 63 63 LYS CG C 24.673 0.3 1 687 63 63 LYS CD C 28.150 0.3 1 688 63 63 LYS CE C 41.777 0.3 1 689 63 63 LYS N N 121.317 0.3 1 690 64 64 LEU H H 8.407 0.020 1 691 64 64 LEU HA H 4.734 0.020 1 692 64 64 LEU HB2 H 1.476 0.020 2 693 64 64 LEU HB3 H 1.509 0.020 2 694 64 64 LEU HG H 0.859 0.020 1 695 64 64 LEU HD1 H 0.278 0.020 2 696 64 64 LEU HD2 H -0.062 0.020 2 697 64 64 LEU C C 176.102 0.3 1 698 64 64 LEU CA C 52.452 0.3 1 699 64 64 LEU CB C 44.841 0.3 1 700 64 64 LEU CG C 26.676 0.3 1 701 64 64 LEU CD1 C 25.499 0.3 1 702 64 64 LEU CD2 C 23.412 0.3 1 703 64 64 LEU N N 124.209 0.3 1 704 65 65 ILE H H 9.150 0.020 1 705 65 65 ILE HA H 4.395 0.020 1 706 65 65 ILE HB H 1.647 0.020 1 707 65 65 ILE HG12 H 1.208 0.020 1 708 65 65 ILE HG2 H 0.889 0.020 1 709 65 65 ILE HD1 H 0.704 0.020 1 710 65 65 ILE C C 174.666 0.3 1 711 65 65 ILE CA C 57.116 0.3 1 712 65 65 ILE CB C 39.277 0.3 1 713 65 65 ILE CG1 C 25.770 0.3 1 714 65 65 ILE CD1 C 15.933 0.3 1 715 65 65 ILE N N 121.349 0.3 1 716 66 66 PRO C C 176.140 0.3 1 717 66 66 PRO CA C 63.125 0.3 1 718 66 66 PRO CB C 32.526 0.3 1 719 67 67 THR H H 8.335 0.020 1 720 67 67 THR HA H 4.574 0.020 1 721 67 67 THR HB H 4.201 0.020 1 722 67 67 THR HG2 H 1.106 0.020 1 723 67 67 THR C C 174.639 0.3 1 724 67 67 THR CA C 60.164 0.3 1 725 67 67 THR CB C 71.035 0.3 1 726 67 67 THR N N 117.899 0.3 1 727 68 68 GLY H H 8.651 0.020 1 728 68 68 GLY CA C 46.266 0.3 1 729 68 68 GLY N N 111.567 0.3 1 730 69 69 THR HA H 4.567 0.020 1 731 69 69 THR HB H 4.194 0.020 1 732 69 69 THR HG2 H 1.094 0.020 1 733 69 69 THR C C 174.119 0.3 1 734 69 69 THR CA C 60.564 0.3 1 735 69 69 THR CB C 68.507 0.3 1 736 70 70 GLY H H 7.502 0.020 1 737 70 70 GLY HA2 H 3.917 0.020 1 738 70 70 GLY HA3 H 3.917 0.020 1 739 70 70 GLY C C 171.685 0.3 1 740 70 70 GLY CA C 44.061 0.3 1 741 70 70 GLY N N 110.933 0.3 1 742 71 71 ALA H H 9.374 0.020 1 743 71 71 ALA HA H 5.110 0.020 1 744 71 71 ALA HB H 1.116 0.020 1 745 71 71 ALA C C 175.777 0.3 1 746 71 71 ALA CA C 49.726 0.3 1 747 71 71 ALA CB C 21.650 0.3 1 748 71 71 ALA N N 124.818 0.3 1 749 72 72 LEU H H 8.340 0.020 1 750 72 72 LEU HA H 4.728 0.020 1 751 72 72 LEU HB2 H 1.573 0.020 1 752 72 72 LEU HB3 H 1.573 0.020 1 753 72 72 LEU HG H 1.479 0.020 1 754 72 72 LEU HD1 H 0.776 0.020 2 755 72 72 LEU HD2 H 0.770 0.020 2 756 72 72 LEU C C 176.861 0.3 1 757 72 72 LEU CA C 51.745 0.3 1 758 72 72 LEU CB C 43.570 0.3 1 759 72 72 LEU CG C 26.083 0.3 1 760 72 72 LEU CD1 C 24.485 0.3 1 761 72 72 LEU CD2 C 22.230 0.3 1 762 72 72 LEU N N 121.083 0.3 1 763 73 73 LEU H H 8.636 0.020 1 764 73 73 LEU HA H 3.919 0.020 1 765 73 73 LEU HB2 H 1.807 0.020 2 766 73 73 LEU HB3 H 1.321 0.020 2 767 73 73 LEU HG H 1.101 0.020 1 768 73 73 LEU HD1 H 0.733 0.020 2 769 73 73 LEU HD2 H 0.577 0.020 2 770 73 73 LEU C C 176.021 0.3 1 771 73 73 LEU CA C 55.725 0.3 1 772 73 73 LEU CB C 41.814 0.3 1 773 73 73 LEU CG C 25.613 0.3 1 774 73 73 LEU CD1 C 23.916 0.3 1 775 73 73 LEU N N 121.615 0.3 1 776 74 74 GLY H H 9.218 0.020 1 777 74 74 GLY HA2 H 4.053 0.020 2 778 74 74 GLY HA3 H 3.430 0.020 2 779 74 74 GLY C C 173.798 0.3 1 780 74 74 GLY CA C 45.631 0.3 1 781 74 74 GLY N N 119.490 0.3 1 782 75 75 SER H H 7.848 0.020 1 783 75 75 SER HA H 4.331 0.020 1 784 75 75 SER HB2 H 3.696 0.020 2 785 75 75 SER HB3 H 3.608 0.020 2 786 75 75 SER C C 171.305 0.3 1 787 75 75 SER CA C 57.466 0.3 1 788 75 75 SER CB C 64.496 0.3 1 789 75 75 SER N N 112.555 0.3 1 790 76 76 LEU H H 8.564 0.020 1 791 76 76 LEU HA H 5.170 0.020 1 792 76 76 LEU HB2 H 1.677 0.020 2 793 76 76 LEU HB3 H 1.344 0.020 2 794 76 76 LEU HG H 1.330 0.020 1 795 76 76 LEU HD1 H 0.702 0.020 2 796 76 76 LEU HD2 H 0.676 0.020 2 797 76 76 LEU C C 175.587 0.3 1 798 76 76 LEU CA C 53.143 0.3 1 799 76 76 LEU CB C 44.388 0.3 1 800 76 76 LEU CG C 27.023 0.3 1 801 76 76 LEU CD1 C 25.425 0.3 1 802 76 76 LEU N N 125.458 0.3 1 803 77 77 THR H H 9.074 0.020 1 804 77 77 THR HA H 4.463 0.020 1 805 77 77 THR HB H 3.778 0.020 1 806 77 77 THR HG2 H 1.032 0.020 1 807 77 77 THR C C 173.500 0.3 1 808 77 77 THR CA C 60.880 0.3 1 809 77 77 THR CB C 70.700 0.3 1 810 77 77 THR CG2 C 25.650 0.3 1 811 77 77 THR N N 123.477 0.3 1 812 78 78 VAL H H 9.053 0.020 1 813 78 78 VAL HA H 3.713 0.020 1 814 78 78 VAL HB H 1.838 0.020 1 815 78 78 VAL HG1 H 0.714 0.020 2 816 78 78 VAL HG2 H 0.667 0.020 2 817 78 78 VAL C C 175.181 0.3 1 818 78 78 VAL CA C 63.614 0.3 1 819 78 78 VAL CB C 31.323 0.3 1 820 78 78 VAL CG1 C 21.290 0.3 1 821 78 78 VAL CG2 C 21.585 0.3 1 822 78 78 VAL N N 129.044 0.3 1 823 79 79 LEU H H 9.085 0.020 1 824 79 79 LEU HA H 4.238 0.020 1 825 79 79 LEU HB2 H 1.358 0.020 1 826 79 79 LEU HB3 H 1.358 0.020 1 827 79 79 LEU HG H 1.077 0.020 1 828 79 79 LEU HD1 H 0.561 0.020 1 829 79 79 LEU HD2 H 0.561 0.020 1 830 79 79 LEU C C 176.535 0.3 1 831 79 79 LEU CA C 55.549 0.3 1 832 79 79 LEU CB C 41.188 0.3 1 833 79 79 LEU CG C 25.932 0.3 1 834 79 79 LEU CD1 C 24.307 0.3 1 835 79 79 LEU CD2 C 24.307 0.3 1 836 79 79 LEU N N 129.788 0.3 1 837 80 80 ASP H H 7.795 0.020 1 838 80 80 ASP HA H 4.486 0.020 1 839 80 80 ASP HB2 H 2.743 0.020 2 840 80 80 ASP HB3 H 2.655 0.020 2 841 80 80 ASP C C 173.419 0.3 1 842 80 80 ASP CA C 52.971 0.3 1 843 80 80 ASP CB C 41.854 0.3 1 844 80 80 ASP N N 114.624 0.3 1 845 81 81 GLY H H 8.101 0.020 1 846 81 81 GLY HA2 H 5.002 0.020 2 847 81 81 GLY HA3 H 3.788 0.020 2 848 81 81 GLY C C 173.744 0.3 1 849 81 81 GLY CA C 43.979 0.3 1 850 81 81 GLY N N 105.114 0.3 1 851 82 82 ASP H H 7.586 0.020 1 852 82 82 ASP HA H 4.384 0.020 1 853 82 82 ASP HB2 H 2.742 0.020 2 854 82 82 ASP HB3 H 2.287 0.020 2 855 82 82 ASP C C 176.508 0.3 1 856 82 82 ASP CA C 54.170 0.3 1 857 82 82 ASP CB C 43.802 0.3 1 858 82 82 ASP N N 119.480 0.3 1 859 85 85 LEU H H 8.921 0.020 1 860 85 85 LEU HA H 4.061 0.020 1 861 85 85 LEU HB2 H 1.567 0.020 1 862 85 85 LEU HB3 H 1.567 0.020 1 863 85 85 LEU HG H 1.463 0.020 1 864 85 85 LEU HD1 H 0.882 0.020 1 865 85 85 LEU HD2 H 0.882 0.020 1 866 85 85 LEU C C 180.817 0.3 1 867 85 85 LEU CA C 56.543 0.3 1 868 85 85 LEU CB C 39.604 0.3 1 869 85 85 LEU CG C 29.338 0.3 1 870 85 85 LEU CD1 C 27.504 0.3 1 871 85 85 LEU N N 124.670 0.3 1 872 86 86 CYS H H 9.450 0.020 1 873 86 86 CYS HA H 4.450 0.020 1 874 86 86 CYS HB2 H 2.848 0.020 1 875 86 86 CYS HB3 H 2.848 0.020 1 876 86 86 CYS HG H 2.568 0.020 1 877 86 86 CYS C C 176.644 0.3 1 878 86 86 CYS CA C 55.586 0.3 1 879 86 86 CYS CB C 37.358 0.3 1 880 86 86 CYS N N 120.942 0.3 1 881 87 87 ALA H H 8.013 0.020 1 882 87 87 ALA HA H 4.001 0.020 1 883 87 87 ALA HB H 1.469 0.020 1 884 87 87 ALA C C 180.519 0.3 1 885 87 87 ALA CA C 55.070 0.3 1 886 87 87 ALA CB C 17.019 0.3 1 887 87 87 ALA N N 125.368 0.3 1 888 88 88 ALA H H 7.711 0.020 1 889 88 88 ALA HA H 4.150 0.020 1 890 88 88 ALA HB H 1.523 0.020 1 891 88 88 ALA C C 180.817 0.3 1 892 88 88 ALA CA C 54.416 0.3 1 893 88 88 ALA CB C 18.001 0.3 1 894 88 88 ALA N N 121.622 0.3 1 895 89 89 THR H H 8.559 0.020 1 896 89 89 THR HA H 3.490 0.020 1 897 89 89 THR HB H 4.410 0.020 1 898 89 89 THR HG2 H 0.928 0.020 1 899 89 89 THR C C 175.235 0.3 1 900 89 89 THR CA C 67.411 0.3 1 901 89 89 THR CB C 66.524 0.3 1 902 89 89 THR N N 120.686 0.3 1 903 90 90 LYS H H 7.958 0.020 1 904 90 90 LYS HA H 4.433 0.020 1 905 90 90 LYS HB2 H 1.799 0.020 1 906 90 90 LYS HB3 H 1.799 0.020 1 907 90 90 LYS HG2 H 1.489 0.020 1 908 90 90 LYS HG3 H 1.489 0.020 1 909 90 90 LYS HD2 H 1.728 0.020 1 910 90 90 LYS HD3 H 1.728 0.020 1 911 90 90 LYS HE2 H 2.89 0.020 1 912 90 90 LYS HE3 H 2.89 0.020 1 913 90 90 LYS C C 178.812 0.3 1 914 90 90 LYS CA C 60.081 0.3 1 915 90 90 LYS CB C 31.566 0.3 1 916 90 90 LYS CG C 27.222 0.3 1 917 90 90 LYS CD C 29.620 0.3 1 918 90 90 LYS CE C 42.016 0.3 1 919 90 90 LYS N N 121.881 0.3 1 920 91 91 ARG H H 7.021 0.020 1 921 91 91 ARG HA H 3.962 0.020 1 922 91 91 ARG HB2 H 1.812 0.020 2 923 91 91 ARG HB3 H 1.686 0.020 2 924 91 91 ARG HG2 H 1.523 0.020 1 925 91 91 ARG HG3 H 1.523 0.020 1 926 91 91 ARG HD2 H 3.127 0.020 1 927 91 91 ARG HD3 H 3.127 0.020 1 928 91 91 ARG C C 177.917 0.3 1 929 91 91 ARG CA C 58.529 0.3 1 930 91 91 ARG CB C 29.348 0.3 1 931 91 91 ARG CG C 27.211 0.3 1 932 91 91 ARG CD C 42.717 0.3 1 933 91 91 ARG N N 117.587 0.3 1 934 92 92 ALA H H 7.807 0.020 1 935 92 92 ALA HA H 3.917 0.020 1 936 92 92 ALA HB H 1.357 0.020 1 937 92 92 ALA C C 180.221 0.3 1 938 92 92 ALA CA C 54.574 0.3 1 939 92 92 ALA CB C 18.803 0.3 1 940 92 92 ALA N N 122.547 0.3 1 941 93 93 VAL H H 8.442 0.020 1 942 93 93 VAL HA H 3.493 0.020 1 943 93 93 VAL HB H 1.993 0.020 1 944 93 93 VAL HG1 H 0.946 0.020 2 945 93 93 VAL HG2 H 0.924 0.020 2 946 93 93 VAL C C 177.484 0.3 1 947 93 93 VAL CA C 65.559 0.3 1 948 93 93 VAL CB C 30.819 0.3 1 949 93 93 VAL CG1 C 23.455 0.3 1 950 93 93 VAL CG2 C 22.512 0.3 1 951 93 93 VAL N N 116.704 0.3 1 952 94 94 ALA H H 7.163 0.020 1 953 94 94 ALA HA H 4.041 0.020 1 954 94 94 ALA HB H 1.430 0.020 1 955 94 94 ALA C C 177.809 0.3 1 956 94 94 ALA CA C 53.270 0.3 1 957 94 94 ALA CB C 17.510 0.3 1 958 94 94 ALA N N 120.287 0.3 1 959 95 95 GLN H H 7.211 0.020 1 960 95 95 GLN HA H 4.093 0.020 1 961 95 95 GLN HB2 H 1.901 0.020 1 962 95 95 GLN HB3 H 1.901 0.020 1 963 95 95 GLN HG2 H 2.367 0.020 2 964 95 95 GLN HG3 H 2.116 0.020 2 965 95 95 GLN HE21 H 7.319 0.020 1 966 95 95 GLN HE22 H 7.035 0.020 1 967 95 95 GLN C C 175.993 0.3 1 968 95 95 GLN CA C 55.096 0.3 1 969 95 95 GLN CB C 29.021 0.3 1 970 95 95 GLN CG C 33.507 0.3 1 971 95 95 GLN N N 114.309 0.3 1 972 95 95 GLN NE2 N 115.168 0.3 1 973 96 96 VAL H H 7.265 0.020 1 974 96 96 VAL HA H 3.440 0.020 1 975 96 96 VAL HB H 1.716 0.020 1 976 96 96 VAL HG1 H 0.582 0.020 2 977 96 96 VAL HG2 H -0.353 0.020 2 978 96 96 VAL C C 175.993 0.3 1 979 96 96 VAL CA C 62.435 0.3 1 980 96 96 VAL CB C 30.685 0.3 1 981 96 96 VAL CG1 C 20.350 0.3 1 982 96 96 VAL CG2 C 20.350 0.3 1 983 96 96 VAL N N 121.754 0.3 1 984 97 97 ASN C C 175.132 0.3 1 985 97 97 ASN CA C 55.994 0.3 1 986 97 97 ASN CB C 38.155 0.3 1 987 98 98 SER H H 7.161 0.020 1 988 98 98 SER HA H 4.471 0.020 1 989 98 98 SER HB2 H 3.449 0.020 1 990 98 98 SER HB3 H 3.449 0.020 1 991 98 98 SER CA C 56.650 0.3 1 992 98 98 SER CB C 63.545 0.3 1 993 98 98 SER N N 111.162 0.3 1 994 99 99 PHE H H 9.204 0.020 1 995 99 99 PHE HA H 4.417 0.020 1 996 99 99 PHE HB2 H 2.296 0.020 2 997 99 99 PHE HB3 H 2.188 0.020 2 998 99 99 PHE HD1 H 6.507 0.020 1 999 99 99 PHE HD2 H 6.507 0.020 1 1000 99 99 PHE HE1 H 6.834 0.020 1 1001 99 99 PHE HE2 H 6.834 0.020 1 1002 99 99 PHE HZ H 7.161 0.020 1 1003 99 99 PHE C C 173.473 0.3 1 1004 99 99 PHE CA C 54.508 0.3 1 1005 99 99 PHE CB C 38.355 0.3 1 1006 99 99 PHE CD1 C 131.973 0.3 1 1007 99 99 PHE CD2 C 131.973 0.3 1 1008 99 99 PHE CE1 C 129.930 0.3 1 1009 99 99 PHE CE2 C 129.930 0.3 1 1010 99 99 PHE CZ C 131.310 0.3 1 1011 99 99 PHE N N 125.068 0.3 1 1012 100 100 PRO HA H 4.583 0.020 1 1013 100 100 PRO HB2 H 2.381 0.020 2 1014 100 100 PRO HB3 H 2.214 0.020 2 1015 100 100 PRO HG2 H 2.086 0.020 2 1016 100 100 PRO HG3 H 1.893 0.020 2 1017 100 100 PRO C C 174.966 0.3 1 1018 100 100 PRO CA C 62.919 0.3 1 1019 100 100 PRO CB C 30.833 0.3 1 1020 100 100 PRO N N 133.715 0.3 1 1021 101 101 LEU H H 8.146 0.020 1 1022 101 101 LEU HA H 4.443 0.020 1 1023 101 101 LEU HB2 H 1.337 0.020 1 1024 101 101 LEU HB3 H 1.337 0.020 1 1025 101 101 LEU HG H 1.086 0.020 1 1026 101 101 LEU HD1 H 0.677 0.020 1 1027 101 101 LEU HD2 H 0.677 0.020 1 1028 101 101 LEU C C 174.368 0.3 1 1029 101 101 LEU CA C 50.426 0.3 1 1030 101 101 LEU CB C 44.960 0.3 1 1031 101 101 LEU CG C 25.605 0.3 1 1032 101 101 LEU N N 118.558 0.3 1 1033 102 102 PRO HA H 4.481 0.020 1 1034 102 102 PRO HB2 H 2.163 0.020 1 1035 102 102 PRO HB3 H 2.163 0.020 1 1036 102 102 PRO HG2 H 1.637 0.020 1 1037 102 102 PRO HG3 H 1.637 0.020 1 1038 102 102 PRO HD2 H 3.753 0.020 1 1039 102 102 PRO HD3 H 3.753 0.020 1 1040 102 102 PRO C C 175.936 0.3 1 1041 102 102 PRO CA C 61.247 0.3 1 1042 102 102 PRO CB C 30.997 0.3 1 1043 102 102 PRO N N 133.309 0.3 1 1044 103 103 LYS H H 8.393 0.020 1 1045 103 103 LYS HA H 4.093 0.020 1 1046 103 103 LYS HB2 H 1.632 0.020 1 1047 103 103 LYS HB3 H 1.632 0.020 1 1048 103 103 LYS HG2 H 1.308 0.020 1 1049 103 103 LYS HG3 H 1.308 0.020 1 1050 103 103 LYS HD2 H 1.869 0.020 1 1051 103 103 LYS HD3 H 1.869 0.020 1 1052 103 103 LYS HE2 H 2.827 0.020 1 1053 103 103 LYS HE3 H 2.827 0.020 1 1054 103 103 LYS C C 176.048 0.3 1 1055 103 103 LYS CA C 55.725 0.3 1 1056 103 103 LYS CB C 32.649 0.3 1 1057 103 103 LYS CG C 24.015 0.3 1 1058 103 103 LYS CD C 28.620 0.3 1 1059 103 103 LYS CE C 42.717 0.3 1 1060 103 103 LYS N N 122.383 0.3 1 1061 104 104 ASP H H 8.606 0.020 1 1062 104 104 ASP HA H 4.294 0.020 1 1063 104 104 ASP HB2 H 2.680 0.020 1 1064 104 104 ASP HB3 H 2.680 0.020 1 1065 104 104 ASP C C 174.882 0.3 1 1066 104 104 ASP CA C 53.952 0.3 1 1067 104 104 ASP CB C 39.238 0.3 1 1068 104 104 ASP N N 120.433 0.3 1 1069 105 105 GLN H H 8.178 0.020 1 1070 105 105 GLN HA H 4.869 0.020 1 1071 105 105 GLN HB2 H 1.917 0.020 2 1072 105 105 GLN HB3 H 1.618 0.020 2 1073 105 105 GLN HG2 H 2.410 0.020 2 1074 105 105 GLN HG3 H 2.355 0.020 2 1075 105 105 GLN HE21 H 7.296 0.020 1 1076 105 105 GLN HE22 H 6.817 0.020 1 1077 105 105 GLN C C 173.473 0.3 1 1078 105 105 GLN CA C 51.990 0.3 1 1079 105 105 GLN CB C 29.102 0.3 1 1080 105 105 GLN CG C 31.628 0.3 1 1081 105 105 GLN N N 115.641 0.3 1 1082 105 105 GLN NE2 N 109.992 0.3 1 1083 106 106 PRO HA H 4.060 0.020 1 1084 106 106 PRO HB2 H 2.201 0.020 1 1085 106 106 PRO HB3 H 2.201 0.020 1 1086 106 106 PRO HG2 H 1.893 0.020 1 1087 106 106 PRO HG3 H 1.893 0.020 1 1088 106 106 PRO HD2 H 3.643 0.020 1 1089 106 106 PRO HD3 H 3.643 0.020 1 1090 106 106 PRO CA C 64.817 0.3 1 1091 106 106 PRO CB C 31.079 0.3 1 1092 106 106 PRO N N 133.626 0.3 1 1093 107 107 ASP H H 8.670 0.020 1 1094 107 107 ASP HA H 4.245 0.020 1 1095 107 107 ASP HB2 H 2.642 0.020 2 1096 107 107 ASP HB3 H 2.533 0.020 2 1097 107 107 ASP C C 178.270 0.3 1 1098 107 107 ASP CA C 55.341 0.3 1 1099 107 107 ASP CB C 38.094 0.3 1 1100 107 107 ASP N N 116.666 0.3 1 1101 108 108 VAL H H 7.379 0.020 1 1102 108 108 VAL HA H 3.466 0.020 1 1103 108 108 VAL HB H 2.136 0.020 1 1104 108 108 VAL HG1 H 0.946 0.020 2 1105 108 108 VAL HG2 H 0.625 0.020 2 1106 108 108 VAL C C 177.511 0.3 1 1107 108 108 VAL CA C 64.890 0.3 1 1108 108 108 VAL CB C 31.339 0.3 1 1109 108 108 VAL CG1 C 22.794 0.3 1 1110 108 108 VAL CG2 C 20.914 0.3 1 1111 108 108 VAL N N 121.792 0.3 1 1112 109 109 VAL H H 7.651 0.020 1 1113 109 109 VAL HA H 4.493 0.020 1 1114 109 109 VAL HB H 2.148 0.020 1 1115 109 109 VAL HG1 H 0.927 0.020 2 1116 109 109 VAL HG2 H 0.621 0.020 2 1117 109 109 VAL C C 176.698 0.3 1 1118 109 109 VAL CA C 67.345 0.3 1 1119 109 109 VAL CB C 30.930 0.3 1 1120 109 109 VAL CG1 C 22.8 0.3 1 1121 109 109 VAL N N 118.950 0.3 1 1122 110 110 GLU H H 7.571 0.020 1 1123 110 110 GLU HA H 3.772 0.020 1 1124 110 110 GLU HB2 H 1.960 0.020 2 1125 110 110 GLU HB3 H 1.865 0.020 2 1126 110 110 GLU HG2 H 2.256 0.020 2 1127 110 110 GLU HG3 H 2.151 0.020 2 1128 110 110 GLU C C 178.514 0.3 1 1129 110 110 GLU CA C 58.529 0.3 1 1130 110 110 GLU CB C 29.021 0.3 1 1131 110 110 GLU CG C 34.879 0.3 1 1132 110 110 GLU N N 114.978 0.3 1 1133 111 111 LYS H H 6.863 0.020 1 1134 111 111 LYS HA H 4.106 0.020 1 1135 111 111 LYS HB2 H 1.993 0.020 2 1136 111 111 LYS HB3 H 1.902 0.020 2 1137 111 111 LYS HG2 H 1.509 0.020 2 1138 111 111 LYS HG3 H 1.374 0.020 2 1139 111 111 LYS HD2 H 1.811 0.020 2 1140 111 111 LYS HD3 H 1.750 0.020 2 1141 111 111 LYS HE2 H 2.883 0.020 1 1142 111 111 LYS HE3 H 2.883 0.020 1 1143 111 111 LYS C C 177.619 0.3 1 1144 111 111 LYS CA C 56.322 0.3 1 1145 111 111 LYS CB C 32.533 0.3 1 1146 111 111 LYS CG C 28.471 0.3 1 1147 111 111 LYS CD C 29.870 0.3 1 1148 111 111 LYS CE C 43.031 0.3 1 1149 111 111 LYS N N 115.852 0.3 1 1150 112 112 LEU H H 7.607 0.020 1 1151 112 112 LEU HA H 3.980 0.020 1 1152 112 112 LEU HB2 H 1.613 0.020 2 1153 112 112 LEU HB3 H 1.505 0.020 2 1154 112 112 LEU HG H 0.919 0.020 1 1155 112 112 LEU HD1 H 0.756 0.020 2 1156 112 112 LEU HD2 H 0.300 0.020 2 1157 112 112 LEU C C 174.503 0.3 1 1158 112 112 LEU CA C 55.224 0.3 1 1159 112 112 LEU CB C 40.831 0.3 1 1160 112 112 LEU CD1 C 24.090 0.3 1 1161 112 112 LEU CD2 C 26.118 0.3 1 1162 112 112 LEU N N 119.654 0.3 1 1163 113 113 LYS H H 6.926 0.020 1 1164 113 113 LYS HA H 3.866 0.020 1 1165 113 113 LYS HB2 H 1.568 0.020 1 1166 113 113 LYS HB3 H 1.568 0.020 1 1167 113 113 LYS HG2 H 1.439 0.020 1 1168 113 113 LYS HG3 H 1.439 0.020 1 1169 113 113 LYS HD2 H 1.522 0.020 1 1170 113 113 LYS HD3 H 1.522 0.020 1 1171 113 113 LYS HE2 H 2.782 0.020 1 1172 113 113 LYS HE3 H 2.782 0.020 1 1173 113 113 LYS C C 176.427 0.3 1 1174 113 113 LYS CA C 57.712 0.3 1 1175 113 113 LYS CB C 32.290 0.3 1 1176 113 113 LYS CG C 24.297 0.3 1 1177 113 113 LYS CD C 28.309 0.3 1 1178 113 113 LYS CE C 41.213 0.3 1 1179 113 113 LYS N N 109.916 0.3 1 1180 114 114 ASN H H 6.904 0.020 1 1181 114 114 ASN HA H 5.233 0.020 1 1182 114 114 ASN HB2 H 2.751 0.020 2 1183 114 114 ASN HB3 H 2.465 0.020 2 1184 114 114 ASN HD21 H 7.430 0.020 1 1185 114 114 ASN HD22 H 6.704 0.020 1 1186 114 114 ASN C C 173.202 0.3 1 1187 114 114 ASN CA C 51.908 0.3 1 1188 114 114 ASN CB C 38.503 0.3 1 1189 114 114 ASN N N 117.901 0.3 1 1190 114 114 ASN ND2 N 111.171 0.3 1 1191 115 115 ILE H H 8.687 0.020 1 1192 115 115 ILE HA H 4.611 0.020 1 1193 115 115 ILE HB H 1.714 0.020 1 1194 115 115 ILE HG12 H 1.443 0.020 2 1195 115 115 ILE HG13 H 0.918 0.020 2 1196 115 115 ILE HG2 H 0.858 0.020 1 1197 115 115 ILE HD1 H 0.782 0.020 1 1198 115 115 ILE C C 172.118 0.3 1 1199 115 115 ILE CA C 58.834 0.3 1 1200 115 115 ILE CB C 41.896 0.3 1 1201 115 115 ILE CG1 C 27.774 0.3 1 1202 115 115 ILE CD1 C 15.127 0.3 1 1203 115 115 ILE N N 122.679 0.3 1 1204 116 116 ASN H H 8.286 0.020 1 1205 116 116 ASN HA H 5.747 0.020 1 1206 116 116 ASN HB2 H 2.611 0.020 2 1207 116 116 ASN HB3 H 2.364 0.020 2 1208 116 116 ASN C C 174.666 0.3 1 1209 116 116 ASN CA C 50.508 0.3 1 1210 116 116 ASN CB C 38.314 0.3 1 1211 116 116 ASN N N 124.934 0.3 1 1212 117 117 LEU H H 9.086 0.020 1 1213 117 117 LEU HA H 4.712 0.020 1 1214 117 117 LEU HB2 H 1.274 0.020 1 1215 117 117 LEU HB3 H 1.274 0.020 1 1216 117 117 LEU HG H 1.221 0.020 1 1217 117 117 LEU HD1 H 0.870 0.020 2 1218 117 117 LEU HD2 H 0.708 0.020 2 1219 117 117 LEU C C 175.668 0.3 1 1220 117 117 LEU CA C 52.779 0.3 1 1221 117 117 LEU CB C 44.923 0.3 1 1222 117 117 LEU CG C 26.929 0.3 1 1223 117 117 LEU CD2 C 24.673 0.3 1 1224 117 117 LEU N N 121.673 0.3 1 1225 118 118 THR H H 8.755 0.020 1 1226 118 118 THR HA H 4.574 0.020 1 1227 118 118 THR HB H 3.821 0.020 1 1228 118 118 THR HG2 H 0.843 0.020 1 1229 118 118 THR C C 173.229 0.3 1 1230 118 118 THR CA C 61.799 0.3 1 1231 118 118 THR CB C 68.910 0.3 1 1232 118 118 THR CG2 C 27.284 0.3 1 1233 118 118 THR N N 118.560 0.3 1 1234 119 119 VAL H H 9.071 0.020 1 1235 119 119 VAL HA H 3.778 0.020 1 1236 119 119 VAL HB H 1.847 0.020 1 1237 119 119 VAL HG1 H 0.748 0.020 2 1238 119 119 VAL HG2 H 0.574 0.020 2 1239 119 119 VAL C C 173.256 0.3 1 1240 119 119 VAL CA C 61.780 0.3 1 1241 119 119 VAL CB C 31.994 0.3 1 1242 119 119 VAL CG1 C 20.068 0.3 1 1243 119 119 VAL CG2 C 20.068 0.3 1 1244 119 119 VAL N N 128.606 0.3 1 1245 120 120 ALA H H 8.166 0.020 1 1246 120 120 ALA HA H 4.923 0.020 1 1247 120 120 ALA HB H 1.273 0.020 1 1248 120 120 ALA C C 174.178 0.3 1 1249 120 120 ALA CA C 48.687 0.3 1 1250 120 120 ALA CB C 20.211 0.3 1 1251 120 120 ALA N N 130.148 0.3 1 1252 121 121 PRO N N 133.341 0.3 1 stop_ save_