data_15471 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR Structure of Peptidyl-tRNA hydrolase domain protein from Pseudomonas syringae pv. tomato:Northeast Structural Genomics Consortium Target PsR211 ; _BMRB_accession_number 15471 _BMRB_flat_file_name bmr15471.str _Entry_type original _Submission_date 2007-09-14 _Accession_date 2007-09-14 _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 SINGARAPU 'KIRAN KUMAR' . . 2 SUKUMARAN DINESH . . 3 PARISH DAVID . . 4 ELETSKY ALEX . . 5 ZHANG QI . . 6 ZHAO LI . . 7 JIANG MEI . . 8 MAGLAQUI MELISSA . . 9 XIAO RONG . . 10 LIU JINFENG . . 11 BARAN MICHAEL C. . 12 SWAPNA G.V.T . . 13 HUANG YUANPENG J. . 14 ACTON THOMAS B. . 15 ROST BURKHARD . . 16 MONTELIONE GAETANO T. . 17 SZYPERSKI THOMAS . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 616 "13C chemical shifts" 446 "15N chemical shifts" 116 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-05-26 update BMRB 'update entity name' 2008-07-03 update BMRB 'complete entry citation' 2007-10-12 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'NMR structure of the peptidyl-tRNA hydrolase domain from Pseudomonas syringae expands the structural coverage of the hydrolysis domains of class 1 peptide chain release factors' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 18247350 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 SINGARAPU 'KIRAN KUMAR' . . 2 XIAO RONG . . 3 ACTON THOMAS B. . 4 ROST BURKHARD . . 5 MONTELIONE GAETANO . . 6 SZYPERSKI THOMAS . . stop_ _Journal_abbreviation Proteins _Journal_volume 71 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 1027 _Page_last 1031 _Year 2008 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Peptidyl-tRNA hydrolase domain protein' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Peptidyl-tRNA hydrolase domain protein' $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 'Peptidyl-tRNA hydrolase domain protein' _Molecular_mass 12100.852 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 108 _Mol_residue_sequence ; MLVISNNVHLPDAEIELTAI RAQGAGGQNVNKVSSAMHLR FDINASSLPPFYKERLLALN DSRITSDGVIVLKAQQYRTQ EQNRADALLRLSELIVNAAK LEHHHHHH ; loop_ _Residue_seq_code _Residue_label 1 MET 2 LEU 3 VAL 4 ILE 5 SER 6 ASN 7 ASN 8 VAL 9 HIS 10 LEU 11 PRO 12 ASP 13 ALA 14 GLU 15 ILE 16 GLU 17 LEU 18 THR 19 ALA 20 ILE 21 ARG 22 ALA 23 GLN 24 GLY 25 ALA 26 GLY 27 GLY 28 GLN 29 ASN 30 VAL 31 ASN 32 LYS 33 VAL 34 SER 35 SER 36 ALA 37 MET 38 HIS 39 LEU 40 ARG 41 PHE 42 ASP 43 ILE 44 ASN 45 ALA 46 SER 47 SER 48 LEU 49 PRO 50 PRO 51 PHE 52 TYR 53 LYS 54 GLU 55 ARG 56 LEU 57 LEU 58 ALA 59 LEU 60 ASN 61 ASP 62 SER 63 ARG 64 ILE 65 THR 66 SER 67 ASP 68 GLY 69 VAL 70 ILE 71 VAL 72 LEU 73 LYS 74 ALA 75 GLN 76 GLN 77 TYR 78 ARG 79 THR 80 GLN 81 GLU 82 GLN 83 ASN 84 ARG 85 ALA 86 ASP 87 ALA 88 LEU 89 LEU 90 ARG 91 LEU 92 SER 93 GLU 94 LEU 95 ILE 96 VAL 97 ASN 98 ALA 99 ALA 100 LYS 101 LEU 102 GLU 103 HIS 104 HIS 105 HIS 106 HIS 107 HIS 108 HIS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-10-28 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 2JVA "Nmr Solution Structure Of Peptidyl-Trna Hydrolase Domain Protein From Pseudomonas Syringae Pv. Tomato. Northeast Structural Gen" 100.00 108 100.00 100.00 7.52e-71 GB EPN16620 "hypothetical protein A259_13700 [Pseudomonas syringae pv. actinidiae ICMP 19070]" 91.67 124 98.99 100.00 5.28e-63 GB KPW06216 "Uncharacterized protein ALO42_04673, partial [Pseudomonas syringae pv. atrofaciens]" 91.67 119 97.98 100.00 8.94e-62 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity 'Pseudomonas Syringae pv.tomato' 317 Bacteria . Pseudomonas syringae 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 . pEt21 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity 1.28 mM '[U-100% 13C; U-100% 15N]' CaCl2 5 mM 'natural abundance' NaCl 100 mM 'natural abundance' NH4OAc 20 mM 'natural abundance' DTT 10 mM 'natural abundance' NaN3 0.02 % 'natural abundance' H2O 95 % 'natural abundance' D2O 5 % . stop_ save_ ############################ # Computer software used # ############################ save_VNMRJ _Saveframe_category software _Name VNMRJ _Version . loop_ _Vendor _Address _Electronic_address Varian . . stop_ loop_ _Task collection stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_XEASY _Saveframe_category software _Name XEASY _Version . loop_ _Vendor _Address _Electronic_address 'Bartels et al.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_TALOS _Saveframe_category software _Name TALOS _Version . loop_ _Vendor _Address _Electronic_address 'Cornilescu, Delaglio and Bax' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_DYANA _Saveframe_category software _Name DYANA _Version . loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version . loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_AutoAssign _Saveframe_category software _Name AutoAssign _Version . loop_ _Vendor _Address _Electronic_address 'Zimmerman, Moseley, Kulikowski and Montelione' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_AutoStructure _Saveframe_category software _Name AutoStruct _Version . loop_ _Vendor _Address _Electronic_address 'Huang, Tejero, Powers and Montelione' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_CNS _Saveframe_category software _Name CNS _Version . loop_ _Vendor _Address _Electronic_address 'Brunger, Adams, Clore, Gros, Nilges and Read' . . stop_ loop_ _Task refinement stop_ _Details . save_ save_Molmol _Saveframe_category software _Name Molmol _Version . loop_ _Vendor _Address _Electronic_address 'Koradi, Billeter and Wuthrich' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 750 _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_4,3D_GFT_CABCACONHN_3 _Saveframe_category NMR_applied_experiment _Experiment_name '4,3D GFT CABCACONHN' _Sample_label $sample_1 save_ save_4,3D_GFT_HNNCABCA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '4,3D GFT HNNCABCA' _Sample_label $sample_1 save_ save_4,3D_GFT_HCCH_COSY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '4,3D GFT HCCH COSY' _Sample_label $sample_1 save_ save_3D_HCCH_COSY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH COSY' _Sample_label $sample_1 save_ save_4,3D_GFT_HABCABCONHN_7 _Saveframe_category NMR_applied_experiment _Experiment_name '4,3D GFT HABCABCONHN' _Sample_label $sample_1 save_ save_3D_sim_NOESY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D sim NOESY' _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 5.5 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 . 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_ _Software_label $VNMRJ stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '4,3D GFT CABCACONHN' '4,3D GFT HNNCABCA' '4,3D GFT HCCH COSY' '3D HCCH COSY' '4,3D GFT HABCABCONHN' '3D sim NOESY' 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 'Peptidyl-tRNA hydrolase domain protein' _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 MET HA H 4.169 0.02 1 2 1 1 MET HB2 H 1.985 0.02 2 3 1 1 MET HB3 H 1.994 0.02 2 4 1 1 MET HE H 1.884 0.02 1 5 1 1 MET HG2 H 2.234 0.02 2 6 1 1 MET HG3 H 2.365 0.02 2 7 1 1 MET C C 171.449 0.02 1 8 1 1 MET CA C 55.517 0.02 1 9 1 1 MET CB C 34.615 0.02 1 10 1 1 MET CE C 17.700 0.02 1 11 1 1 MET CG C 31.364 0.02 1 12 2 2 LEU H H 9.313 0.02 1 13 2 2 LEU HA H 4.648 0.02 1 14 2 2 LEU HB2 H 1.691 0.02 2 15 2 2 LEU HB3 H 1.318 0.02 2 16 2 2 LEU HD1 H 0.867 0.02 2 17 2 2 LEU HD2 H 0.678 0.02 2 18 2 2 LEU HG H 1.271 0.02 1 19 2 2 LEU C C 175.185 0.02 1 20 2 2 LEU CA C 54.827 0.02 1 21 2 2 LEU CB C 44.262 0.02 1 22 2 2 LEU CD1 C 24.948 0.02 1 23 2 2 LEU CD2 C 26.800 0.02 1 24 2 2 LEU CG C 28.152 0.02 1 25 2 2 LEU N N 127.251 0.02 1 26 3 3 VAL H H 8.989 0.02 1 27 3 3 VAL HA H 3.850 0.02 1 28 3 3 VAL HB H 1.958 0.02 1 29 3 3 VAL HG1 H 0.718 0.02 2 30 3 3 VAL HG2 H 0.656 0.02 2 31 3 3 VAL C C 174.909 0.02 1 32 3 3 VAL CA C 64.330 0.02 1 33 3 3 VAL CB C 32.339 0.02 1 34 3 3 VAL CG1 C 21.680 0.02 1 35 3 3 VAL CG2 C 21.844 0.02 1 36 3 3 VAL N N 129.952 0.02 1 37 4 4 ILE H H 8.170 0.02 1 38 4 4 ILE HA H 4.047 0.02 1 39 4 4 ILE HB H 1.798 0.02 1 40 4 4 ILE HD1 H 0.588 0.02 1 41 4 4 ILE HG12 H 1.276 0.02 2 42 4 4 ILE HG13 H 1.074 0.02 2 43 4 4 ILE HG2 H 0.742 0.02 1 44 4 4 ILE C C 175.163 0.02 1 45 4 4 ILE CA C 61.490 0.02 1 46 4 4 ILE CB C 37.983 0.02 1 47 4 4 ILE CD1 C 12.147 0.02 1 48 4 4 ILE CG1 C 28.430 0.02 1 49 4 4 ILE CG2 C 18.054 0.02 1 50 4 4 ILE N N 129.758 0.02 1 51 5 5 SER H H 8.471 0.02 1 52 5 5 SER HA H 4.600 0.02 1 53 5 5 SER HB2 H 4.174 0.02 2 54 5 5 SER HB3 H 3.865 0.02 2 55 5 5 SER C C 173.635 0.02 1 56 5 5 SER CA C 57.403 0.02 1 57 5 5 SER CB C 66.095 0.02 1 58 5 5 SER N N 114.822 0.02 1 59 6 6 ASN H H 8.759 0.02 1 60 6 6 ASN HA H 4.491 0.02 1 61 6 6 ASN HB2 H 2.813 0.02 2 62 6 6 ASN HB3 H 2.815 0.02 2 63 6 6 ASN HD21 H 7.616 0.02 2 64 6 6 ASN HD22 H 6.930 0.02 2 65 6 6 ASN C C 175.482 0.02 1 66 6 6 ASN CA C 56.694 0.02 1 67 6 6 ASN CB C 38.520 0.02 1 68 6 6 ASN N N 117.331 0.02 1 69 6 6 ASN ND2 N 113.615 0.02 1 70 7 7 ASN H H 8.089 0.02 1 71 7 7 ASN HA H 4.763 0.02 1 72 7 7 ASN HB2 H 2.837 0.02 2 73 7 7 ASN HB3 H 2.727 0.02 2 74 7 7 ASN HD21 H 7.561 0.02 2 75 7 7 ASN HD22 H 6.917 0.02 2 76 7 7 ASN C C 174.166 0.02 1 77 7 7 ASN CA C 53.821 0.02 1 78 7 7 ASN CB C 40.564 0.02 1 79 7 7 ASN N N 114.124 0.02 1 80 7 7 ASN ND2 N 113.316 0.02 1 81 8 8 VAL H H 7.378 0.02 1 82 8 8 VAL HA H 4.169 0.02 1 83 8 8 VAL HB H 1.843 0.02 1 84 8 8 VAL HG1 H 0.602 0.02 2 85 8 8 VAL HG2 H 0.486 0.02 2 86 8 8 VAL C C 173.338 0.02 1 87 8 8 VAL CA C 63.064 0.02 1 88 8 8 VAL CB C 33.763 0.02 1 89 8 8 VAL CG1 C 21.659 0.02 1 90 8 8 VAL CG2 C 21.935 0.02 1 91 8 8 VAL N N 121.109 0.02 1 92 9 9 HIS H H 8.736 0.02 1 93 9 9 HIS HA H 5.324 0.02 1 94 9 9 HIS HB2 H 3.100 0.02 2 95 9 9 HIS HB3 H 3.157 0.02 2 96 9 9 HIS HD2 H 7.203 0.02 1 97 9 9 HIS C C 173.253 0.02 1 98 9 9 HIS CA C 53.293 0.02 1 99 9 9 HIS CB C 32.381 0.02 1 100 9 9 HIS CD2 C 119.284 0.02 1 101 9 9 HIS N N 127.256 0.02 1 102 10 10 LEU H H 9.100 0.02 1 103 10 10 LEU HA H 4.998 0.02 1 104 10 10 LEU HB2 H 1.591 0.02 2 105 10 10 LEU HB3 H 1.466 0.02 2 106 10 10 LEU HD1 H 0.708 0.02 2 107 10 10 LEU HD2 H 0.901 0.02 2 108 10 10 LEU HG H 1.454 0.02 1 109 10 10 LEU CA C 52.071 0.02 1 110 10 10 LEU CB C 44.508 0.02 1 111 10 10 LEU CD1 C 26.857 0.02 1 112 10 10 LEU CD2 C 24.268 0.02 1 113 10 10 LEU CG C 27.541 0.02 1 114 10 10 LEU N N 123.627 0.02 1 115 11 11 PRO HA H 4.537 0.02 1 116 11 11 PRO HB2 H 1.942 0.02 2 117 11 11 PRO HB3 H 2.450 0.02 2 118 11 11 PRO HD2 H 3.927 0.02 2 119 11 11 PRO HD3 H 3.692 0.02 2 120 11 11 PRO HG2 H 2.032 0.02 2 121 11 11 PRO HG3 H 2.126 0.02 2 122 11 11 PRO C C 176.479 0.02 1 123 11 11 PRO CA C 63.291 0.02 1 124 11 11 PRO CB C 33.374 0.02 1 125 11 11 PRO CD C 51.750 0.02 1 126 11 11 PRO CG C 28.800 0.02 1 127 12 12 ASP H H 8.519 0.02 1 128 12 12 ASP HA H 4.152 0.02 1 129 12 12 ASP HB2 H 2.520 0.02 2 130 12 12 ASP HB3 H 2.714 0.02 2 131 12 12 ASP C C 178.198 0.02 1 132 12 12 ASP CA C 58.258 0.02 1 133 12 12 ASP CB C 40.925 0.02 1 134 12 12 ASP N N 122.860 0.02 1 135 13 13 ALA H H 8.288 0.02 1 136 13 13 ALA HA H 4.187 0.02 1 137 13 13 ALA HB H 1.446 0.02 1 138 13 13 ALA C C 178.496 0.02 1 139 13 13 ALA CA C 54.618 0.02 1 140 13 13 ALA CB C 19.513 0.02 1 141 13 13 ALA N N 117.432 0.02 1 142 14 14 GLU H H 7.651 0.02 1 143 14 14 GLU HA H 4.177 0.02 1 144 14 14 GLU HB2 H 2.039 0.02 2 145 14 14 GLU HB3 H 2.570 0.02 2 146 14 14 GLU HG2 H 2.341 0.02 2 147 14 14 GLU HG3 H 2.342 0.02 2 148 14 14 GLU C C 174.930 0.02 1 149 14 14 GLU CA C 58.242 0.02 1 150 14 14 GLU CB C 30.280 0.02 1 151 14 14 GLU CG C 38.150 0.02 1 152 14 14 GLU N N 115.870 0.02 1 153 15 15 ILE H H 7.867 0.02 1 154 15 15 ILE HA H 4.397 0.02 1 155 15 15 ILE HB H 1.873 0.02 1 156 15 15 ILE HD1 H 0.715 0.02 1 157 15 15 ILE HG12 H 0.761 0.02 2 158 15 15 ILE HG13 H 1.482 0.02 2 159 15 15 ILE HG2 H 0.768 0.02 1 160 15 15 ILE C C 173.975 0.02 1 161 15 15 ILE CA C 62.063 0.02 1 162 15 15 ILE CB C 40.864 0.02 1 163 15 15 ILE CD1 C 16.365 0.02 1 164 15 15 ILE CG1 C 29.190 0.02 1 165 15 15 ILE CG2 C 20.366 0.02 1 166 15 15 ILE N N 121.261 0.02 1 167 16 16 GLU H H 8.570 0.02 1 168 16 16 GLU HA H 4.633 0.02 1 169 16 16 GLU HB2 H 2.160 0.02 2 170 16 16 GLU HB3 H 2.143 0.02 2 171 16 16 GLU HG2 H 2.241 0.02 2 172 16 16 GLU HG3 H 2.115 0.02 2 173 16 16 GLU C C 175.248 0.02 1 174 16 16 GLU CA C 56.301 0.02 1 175 16 16 GLU CB C 31.817 0.02 1 176 16 16 GLU CG C 36.864 0.02 1 177 16 16 GLU N N 127.368 0.02 1 178 17 17 LEU H H 8.965 0.02 1 179 17 17 LEU HA H 5.482 0.02 1 180 17 17 LEU HB2 H 1.702 0.02 2 181 17 17 LEU HB3 H 1.423 0.02 2 182 17 17 LEU HD1 H 0.866 0.02 2 183 17 17 LEU HD2 H 0.872 0.02 2 184 17 17 LEU HG H 1.552 0.02 1 185 17 17 LEU C C 176.118 0.02 1 186 17 17 LEU CA C 54.612 0.02 1 187 17 17 LEU CB C 45.256 0.02 1 188 17 17 LEU CD1 C 26.200 0.02 1 189 17 17 LEU CD2 C 26.403 0.02 1 190 17 17 LEU CG C 28.738 0.02 1 191 17 17 LEU N N 132.148 0.02 1 192 18 18 THR H H 9.082 0.02 1 193 18 18 THR HA H 4.637 0.02 1 194 18 18 THR HB H 4.071 0.02 1 195 18 18 THR HG2 H 1.211 0.02 1 196 18 18 THR C C 172.404 0.02 1 197 18 18 THR CA C 60.881 0.02 1 198 18 18 THR CB C 72.932 0.02 1 199 18 18 THR CG2 C 22.768 0.02 1 200 18 18 THR N N 117.637 0.02 1 201 19 19 ALA H H 8.633 0.02 1 202 19 19 ALA HA H 5.015 0.02 1 203 19 19 ALA HB H 1.372 0.02 1 204 19 19 ALA C C 177.986 0.02 1 205 19 19 ALA CA C 53.022 0.02 1 206 19 19 ALA CB C 20.169 0.02 1 207 19 19 ALA N N 128.333 0.02 1 208 20 20 ILE H H 8.063 0.02 1 209 20 20 ILE HA H 4.061 0.02 1 210 20 20 ILE HB H 1.624 0.02 1 211 20 20 ILE HD1 H 0.639 0.02 1 212 20 20 ILE HG12 H 1.300 0.02 2 213 20 20 ILE HG13 H 0.916 0.02 2 214 20 20 ILE HG2 H 0.800 0.02 1 215 20 20 ILE C C 175.673 0.02 1 216 20 20 ILE CA C 61.840 0.02 1 217 20 20 ILE CB C 39.351 0.02 1 218 20 20 ILE CD1 C 13.555 0.02 1 219 20 20 ILE CG1 C 28.420 0.02 1 220 20 20 ILE CG2 C 17.947 0.02 1 221 20 20 ILE N N 123.059 0.02 1 222 21 21 ARG H H 8.539 0.02 1 223 21 21 ARG HA H 4.396 0.02 1 224 21 21 ARG HB2 H 1.739 0.02 2 225 21 21 ARG HB3 H 1.827 0.02 2 226 21 21 ARG HD2 H 3.194 0.02 2 227 21 21 ARG HD3 H 3.193 0.02 2 228 21 21 ARG HG2 H 1.647 0.02 2 229 21 21 ARG HG3 H 1.623 0.02 2 230 21 21 ARG C C 175.567 0.02 1 231 21 21 ARG CA C 56.718 0.02 1 232 21 21 ARG CB C 31.688 0.02 1 233 21 21 ARG CD C 44.160 0.02 1 234 21 21 ARG CG C 28.028 0.02 1 235 21 21 ARG N N 127.728 0.02 1 236 22 22 ALA H H 8.451 0.02 1 237 22 22 ALA HA H 4.305 0.02 1 238 22 22 ALA HB H 1.348 0.02 1 239 22 22 ALA C C 177.031 0.02 1 240 22 22 ALA CA C 52.958 0.02 1 241 22 22 ALA CB C 20.318 0.02 1 242 22 22 ALA N N 127.212 0.02 1 243 23 23 GLN H H 8.461 0.02 1 244 23 23 GLN HA H 4.369 0.02 1 245 23 23 GLN HB2 H 1.978 0.02 2 246 23 23 GLN HB3 H 2.088 0.02 2 247 23 23 GLN HE21 H 7.531 0.02 2 248 23 23 GLN HE22 H 6.856 0.02 2 249 23 23 GLN HG2 H 2.367 0.02 2 250 23 23 GLN HG3 H 2.371 0.02 2 251 23 23 GLN C C 176.309 0.02 1 252 23 23 GLN CA C 56.650 0.02 1 253 23 23 GLN CB C 30.643 0.02 1 254 23 23 GLN CG C 34.620 0.02 1 255 23 23 GLN N N 121.099 0.02 1 256 24 24 GLY H H 8.477 0.02 1 257 24 24 GLY HA2 H 3.964 0.02 2 258 24 24 GLY HA3 H 3.974 0.02 2 259 24 24 GLY C C 173.720 0.02 1 260 24 24 GLY CA C 46.024 0.02 1 261 24 24 GLY N N 111.339 0.02 1 262 25 25 ALA H H 8.296 0.02 1 263 25 25 ALA HA H 4.351 0.02 1 264 25 25 ALA HB H 1.384 0.02 1 265 25 25 ALA C C 178.262 0.02 1 266 25 25 ALA CA C 53.511 0.02 1 267 25 25 ALA CB C 20.065 0.02 1 268 25 25 ALA N N 124.782 0.02 1 269 26 26 GLY H H 8.512 0.02 1 270 26 26 GLY HA2 H 3.953 0.02 2 271 26 26 GLY HA3 H 3.979 0.02 2 272 26 26 GLY C C 174.739 0.02 1 273 26 26 GLY CA C 46.361 0.02 1 274 26 26 GLY N N 109.266 0.02 1 275 27 27 GLY H H 8.286 0.02 1 276 27 27 GLY HA2 H 3.926 0.02 2 277 27 27 GLY HA3 H 3.962 0.02 2 278 27 27 GLY C C 174.314 0.02 1 279 27 27 GLY CA C 46.253 0.02 1 280 27 27 GLY N N 109.398 0.02 1 281 28 28 GLN H H 8.283 0.02 1 282 28 28 GLN HA H 4.307 0.02 1 283 28 28 GLN HB2 H 1.998 0.02 2 284 28 28 GLN HB3 H 2.117 0.02 2 285 28 28 GLN HE21 H 7.528 0.02 2 286 28 28 GLN HE22 H 7.070 0.02 2 287 28 28 GLN HG2 H 2.349 0.02 2 288 28 28 GLN HG3 H 2.377 0.02 2 289 28 28 GLN C C 175.758 0.02 1 290 28 28 GLN CA C 57.000 0.02 1 291 28 28 GLN CB C 30.123 0.02 1 292 28 28 GLN CG C 34.566 0.02 1 293 28 28 GLN N N 120.332 0.02 1 294 29 29 ASN H H 8.486 0.02 1 295 29 29 ASN HA H 4.702 0.02 1 296 29 29 ASN HB2 H 2.767 0.02 2 297 29 29 ASN HB3 H 2.858 0.02 2 298 29 29 ASN HD21 H 7.595 0.02 2 299 29 29 ASN HD22 H 6.932 0.02 2 300 29 29 ASN C C 175.269 0.02 1 301 29 29 ASN CA C 54.353 0.02 1 302 29 29 ASN CB C 39.458 0.02 1 303 29 29 ASN N N 119.846 0.02 1 304 29 29 ASN ND2 N 113.862 0.02 1 305 30 30 VAL H H 7.982 0.02 1 306 30 30 VAL HA H 4.082 0.02 1 307 30 30 VAL HB H 2.106 0.02 1 308 30 30 VAL HG1 H 0.918 0.02 2 309 30 30 VAL HG2 H 0.896 0.02 2 310 30 30 VAL C C 175.694 0.02 1 311 30 30 VAL CA C 63.453 0.02 1 312 30 30 VAL CB C 33.273 0.02 1 313 30 30 VAL CG1 C 21.795 0.02 1 314 30 30 VAL CG2 C 20.973 0.02 1 315 30 30 VAL N N 119.956 0.02 1 316 31 31 ASN H H 8.449 0.02 1 317 31 31 ASN HA H 4.708 0.02 1 318 31 31 ASN HB2 H 2.757 0.02 2 319 31 31 ASN HB3 H 2.854 0.02 2 320 31 31 ASN HD21 H 7.617 0.02 2 321 31 31 ASN HD22 H 6.969 0.02 2 322 31 31 ASN C C 174.845 0.02 1 323 31 31 ASN CA C 54.250 0.02 1 324 31 31 ASN CB C 39.466 0.02 1 325 31 31 ASN N N 121.701 0.02 1 326 31 31 ASN ND2 N 113.862 0.02 1 327 32 32 LYS H H 8.084 0.02 1 328 32 32 LYS HA H 4.346 0.02 1 329 32 32 LYS HB2 H 1.852 0.02 2 330 32 32 LYS HB3 H 1.744 0.02 2 331 32 32 LYS HD2 H 1.680 0.02 2 332 32 32 LYS HD3 H 1.680 0.02 2 333 32 32 LYS HE2 H 2.990 0.02 2 334 32 32 LYS HE3 H 2.990 0.02 2 335 32 32 LYS HG2 H 1.446 0.02 2 336 32 32 LYS HG3 H 1.386 0.02 2 337 32 32 LYS C C 176.118 0.02 1 338 32 32 LYS CA C 57.129 0.02 1 339 32 32 LYS CB C 34.071 0.02 1 340 32 32 LYS CD C 30.228 0.02 1 341 32 32 LYS CE C 43.013 0.02 1 342 32 32 LYS CG C 25.645 0.02 1 343 32 32 LYS N N 121.944 0.02 1 344 33 33 VAL H H 8.147 0.02 1 345 33 33 VAL HA H 4.185 0.02 1 346 33 33 VAL HB H 2.097 0.02 1 347 33 33 VAL HG1 H 0.950 0.02 2 348 33 33 VAL HG2 H 0.953 0.02 2 349 33 33 VAL C C 175.991 0.02 1 350 33 33 VAL CA C 63.049 0.02 1 351 33 33 VAL CB C 33.617 0.02 1 352 33 33 VAL CG1 C 21.834 0.02 1 353 33 33 VAL CG2 C 21.311 0.02 1 354 33 33 VAL N N 121.320 0.02 1 355 34 34 SER H H 8.476 0.02 1 356 34 34 SER HA H 4.633 0.02 1 357 34 34 SER HB2 H 3.851 0.02 2 358 34 34 SER HB3 H 3.985 0.02 2 359 34 34 SER C C 173.996 0.02 1 360 34 34 SER CA C 58.737 0.02 1 361 34 34 SER CB C 65.013 0.02 1 362 34 34 SER N N 121.408 0.02 1 363 35 35 SER H H 8.445 0.02 1 364 35 35 SER HA H 4.451 0.02 1 365 35 35 SER HB2 H 3.713 0.02 2 366 35 35 SER HB3 H 3.631 0.02 2 367 35 35 SER C C 173.975 0.02 1 368 35 35 SER CA C 59.234 0.02 1 369 35 35 SER CB C 64.750 0.02 1 370 35 35 SER N N 117.704 0.02 1 371 36 36 ALA H H 8.017 0.02 1 372 36 36 ALA HA H 4.580 0.02 1 373 36 36 ALA HB H 1.374 0.02 1 374 36 36 ALA C C 176.713 0.02 1 375 36 36 ALA CA C 53.448 0.02 1 376 36 36 ALA CB C 21.659 0.02 1 377 36 36 ALA N N 126.279 0.02 1 378 37 37 MET H H 8.513 0.02 1 379 37 37 MET HA H 5.436 0.02 1 380 37 37 MET HB2 H 1.699 0.02 2 381 37 37 MET HB3 H 1.796 0.02 2 382 37 37 MET HE H 1.858 0.02 1 383 37 37 MET HG2 H 2.556 0.02 2 384 37 37 MET HG3 H 2.478 0.02 2 385 37 37 MET C C 173.911 0.02 1 386 37 37 MET CA C 53.414 0.02 1 387 37 37 MET CB C 35.962 0.02 1 388 37 37 MET CE C 17.500 0.02 1 389 37 37 MET CG C 32.902 0.02 1 390 37 37 MET N N 117.637 0.02 1 391 38 38 HIS H H 9.435 0.02 1 392 38 38 HIS HA H 5.064 0.02 1 393 38 38 HIS HB2 H 2.894 0.02 2 394 38 38 HIS HB3 H 3.231 0.02 2 395 38 38 HIS HD2 H 6.963 0.02 1 396 38 38 HIS C C 172.425 0.02 1 397 38 38 HIS CA C 55.802 0.02 1 398 38 38 HIS CB C 32.924 0.02 1 399 38 38 HIS CD2 C 120.666 0.02 1 400 38 38 HIS N N 123.104 0.02 1 401 39 39 LEU H H 8.993 0.02 1 402 39 39 LEU HA H 5.368 0.02 1 403 39 39 LEU HB2 H 1.343 0.02 2 404 39 39 LEU HB3 H 1.529 0.02 2 405 39 39 LEU HD1 H 0.714 0.02 2 406 39 39 LEU HD2 H 0.765 0.02 2 407 39 39 LEU HG H 1.540 0.02 1 408 39 39 LEU C C 173.869 0.02 1 409 39 39 LEU CA C 54.858 0.02 1 410 39 39 LEU CB C 46.259 0.02 1 411 39 39 LEU CD1 C 26.200 0.02 1 412 39 39 LEU CD2 C 29.031 0.02 1 413 39 39 LEU CG C 28.788 0.02 1 414 39 39 LEU N N 129.222 0.02 1 415 40 40 ARG H H 9.204 0.02 1 416 40 40 ARG HA H 5.427 0.02 1 417 40 40 ARG HB2 H 1.789 0.02 2 418 40 40 ARG HB3 H 1.644 0.02 2 419 40 40 ARG HD2 H 3.214 0.02 2 420 40 40 ARG HD3 H 3.212 0.02 2 421 40 40 ARG HE H 7.402 0.02 1 422 40 40 ARG HG2 H 1.455 0.02 2 423 40 40 ARG HG3 H 1.512 0.02 2 424 40 40 ARG C C 174.696 0.02 1 425 40 40 ARG CA C 55.973 0.02 1 426 40 40 ARG CB C 35.230 0.02 1 427 40 40 ARG CD C 44.058 0.02 1 428 40 40 ARG CG C 29.421 0.02 1 429 40 40 ARG N N 126.881 0.02 1 430 40 40 ARG NE N 85.489 0.02 1 431 41 41 PHE H H 9.303 0.02 1 432 41 41 PHE HA H 5.241 0.02 1 433 41 41 PHE HB2 H 2.784 0.02 2 434 41 41 PHE HB3 H 2.854 0.02 2 435 41 41 PHE HD1 H 7.265 0.02 1 436 41 41 PHE HD2 H 7.265 0.02 1 437 41 41 PHE HE1 H 7.117 0.02 1 438 41 41 PHE HE2 H 7.117 0.02 1 439 41 41 PHE HZ H 7.182 0.02 1 440 41 41 PHE C C 172.468 0.02 1 441 41 41 PHE CA C 56.734 0.02 1 442 41 41 PHE CB C 43.081 0.02 1 443 41 41 PHE CD1 C 133.145 0.02 1 444 41 41 PHE CE1 C 131.341 0.02 1 445 41 41 PHE CZ C 130.866 0.02 1 446 41 41 PHE N N 126.522 0.02 1 447 42 42 ASP H H 8.985 0.02 1 448 42 42 ASP HA H 4.374 0.02 1 449 42 42 ASP HB2 H 2.268 0.02 2 450 42 42 ASP HB3 H 2.829 0.02 2 451 42 42 ASP C C 175.461 0.02 1 452 42 42 ASP CA C 54.484 0.02 1 453 42 42 ASP CB C 41.452 0.02 1 454 42 42 ASP N N 130.345 0.02 1 455 43 43 ILE H H 8.201 0.02 1 456 43 43 ILE HA H 2.982 0.02 1 457 43 43 ILE HB H 1.792 0.02 1 458 43 43 ILE HD1 H 0.801 0.02 1 459 43 43 ILE HG12 H 1.895 0.02 2 460 43 43 ILE HG13 H 0.912 0.02 2 461 43 43 ILE HG2 H 0.836 0.02 1 462 43 43 ILE C C 179.238 0.02 1 463 43 43 ILE CA C 66.431 0.02 1 464 43 43 ILE CB C 40.204 0.02 1 465 43 43 ILE CD1 C 15.683 0.02 1 466 43 43 ILE CG1 C 29.769 0.02 1 467 43 43 ILE CG2 C 18.760 0.02 1 468 43 43 ILE N N 127.239 0.02 1 469 44 44 ASN H H 8.384 0.02 1 470 44 44 ASN HA H 4.323 0.02 1 471 44 44 ASN HB2 H 2.874 0.02 2 472 44 44 ASN HB3 H 2.679 0.02 2 473 44 44 ASN HD21 H 7.777 0.02 2 474 44 44 ASN HD22 H 6.858 0.02 2 475 44 44 ASN C C 176.607 0.02 1 476 44 44 ASN CA C 57.377 0.02 1 477 44 44 ASN CB C 39.062 0.02 1 478 44 44 ASN N N 118.107 0.02 1 479 44 44 ASN ND2 N 114.889 0.02 1 480 45 45 ALA H H 7.497 0.02 1 481 45 45 ALA HA H 4.214 0.02 1 482 45 45 ALA HB H 1.213 0.02 1 483 45 45 ALA C C 177.010 0.02 1 484 45 45 ALA CA C 52.887 0.02 1 485 45 45 ALA CB C 19.766 0.02 1 486 45 45 ALA N N 121.171 0.02 1 487 46 46 SER H H 6.989 0.02 1 488 46 46 SER HA H 4.258 0.02 1 489 46 46 SER HB2 H 4.001 0.02 2 490 46 46 SER HB3 H 4.307 0.02 2 491 46 46 SER HG H 5.273 0.02 1 492 46 46 SER C C 173.975 0.02 1 493 46 46 SER CA C 59.914 0.02 1 494 46 46 SER CB C 68.421 0.02 1 495 46 46 SER N N 114.644 0.02 1 496 47 47 SER H H 10.437 0.02 1 497 47 47 SER HA H 4.606 0.02 1 498 47 47 SER HB2 H 4.060 0.02 2 499 47 47 SER HB3 H 4.146 0.02 2 500 47 47 SER C C 175.227 0.02 1 501 47 47 SER CA C 59.008 0.02 1 502 47 47 SER CB C 63.142 0.02 1 503 47 47 SER N N 116.405 0.02 1 504 48 48 LEU H H 7.636 0.02 1 505 48 48 LEU HA H 4.232 0.02 1 506 48 48 LEU HB2 H 1.631 0.02 2 507 48 48 LEU HB3 H 1.358 0.02 2 508 48 48 LEU HD1 H 0.997 0.02 2 509 48 48 LEU HD2 H 0.722 0.02 2 510 48 48 LEU HG H 2.054 0.02 1 511 48 48 LEU CA C 54.251 0.02 1 512 48 48 LEU CB C 43.453 0.02 1 513 48 48 LEU CD1 C 27.862 0.02 1 514 48 48 LEU CD2 C 24.376 0.02 1 515 48 48 LEU CG C 27.831 0.02 1 516 48 48 LEU N N 122.126 0.02 1 517 49 49 PRO HA H 4.898 0.02 1 518 49 49 PRO HB2 H 1.943 0.02 2 519 49 49 PRO HB3 H 2.781 0.02 2 520 49 49 PRO HD2 H 4.015 0.02 2 521 49 49 PRO HD3 H 3.213 0.02 2 522 49 49 PRO HG2 H 2.138 0.02 2 523 49 49 PRO HG3 H 2.263 0.02 2 524 49 49 PRO CA C 62.260 0.02 1 525 49 49 PRO CB C 32.296 0.02 1 526 49 49 PRO CD C 51.163 0.02 1 527 49 49 PRO CG C 28.812 0.02 1 528 50 50 PRO HA H 4.163 0.02 1 529 50 50 PRO HB2 H 2.508 0.02 2 530 50 50 PRO HB3 H 2.105 0.02 2 531 50 50 PRO HD2 H 3.953 0.02 2 532 50 50 PRO HD3 H 4.031 0.02 2 533 50 50 PRO HG2 H 2.282 0.02 2 534 50 50 PRO HG3 H 2.156 0.02 2 535 50 50 PRO C C 177.456 0.02 1 536 50 50 PRO CA C 67.041 0.02 1 537 50 50 PRO CB C 32.909 0.02 1 538 50 50 PRO CD C 51.467 0.02 1 539 50 50 PRO CG C 28.357 0.02 1 540 51 51 PHE H H 8.640 0.02 1 541 51 51 PHE HA H 4.298 0.02 1 542 51 51 PHE HB2 H 2.727 0.02 2 543 51 51 PHE HB3 H 3.363 0.02 2 544 51 51 PHE HD1 H 6.856 0.02 1 545 51 51 PHE HD2 H 6.856 0.02 1 546 51 51 PHE HE1 H 6.866 0.02 1 547 51 51 PHE HE2 H 6.866 0.02 1 548 51 51 PHE HZ H 6.853 0.02 1 549 51 51 PHE C C 177.392 0.02 1 550 51 51 PHE CA C 61.675 0.02 1 551 51 51 PHE CB C 40.678 0.02 1 552 51 51 PHE CD1 C 132.664 0.02 1 553 51 51 PHE CE1 C 132.514 0.02 1 554 51 51 PHE CZ C 132.434 0.02 1 555 51 51 PHE N N 116.632 0.02 1 556 52 52 TYR H H 7.400 0.02 1 557 52 52 TYR HA H 3.789 0.02 1 558 52 52 TYR HB2 H 2.749 0.02 2 559 52 52 TYR HB3 H 3.162 0.02 2 560 52 52 TYR HD1 H 7.036 0.02 1 561 52 52 TYR HD2 H 7.036 0.02 1 562 52 52 TYR HE1 H 6.853 0.02 1 563 52 52 TYR HE2 H 6.853 0.02 1 564 52 52 TYR C C 178.029 0.02 1 565 52 52 TYR CA C 62.531 0.02 1 566 52 52 TYR CB C 41.060 0.02 1 567 52 52 TYR CD1 C 132.995 0.02 1 568 52 52 TYR CE1 C 119.262 0.02 1 569 52 52 TYR N N 115.914 0.02 1 570 53 53 LYS H H 7.627 0.02 1 571 53 53 LYS HA H 3.614 0.02 1 572 53 53 LYS HB2 H 2.005 0.02 2 573 53 53 LYS HB3 H 1.698 0.02 2 574 53 53 LYS HD2 H 1.628 0.02 2 575 53 53 LYS HD3 H 1.737 0.02 2 576 53 53 LYS HE2 H 3.322 0.02 2 577 53 53 LYS HE3 H 3.183 0.02 2 578 53 53 LYS HG2 H 1.451 0.02 2 579 53 53 LYS HG3 H 1.449 0.02 2 580 53 53 LYS C C 177.328 0.02 1 581 53 53 LYS CA C 62.168 0.02 1 582 53 53 LYS CB C 33.724 0.02 1 583 53 53 LYS CD C 31.278 0.02 1 584 53 53 LYS CE C 43.035 0.02 1 585 53 53 LYS CG C 27.854 0.02 1 586 53 53 LYS N N 118.481 0.02 1 587 54 54 GLU H H 8.346 0.02 1 588 54 54 GLU HA H 3.825 0.02 1 589 54 54 GLU HB2 H 1.958 0.02 2 590 54 54 GLU HB3 H 2.012 0.02 2 591 54 54 GLU HG2 H 2.342 0.02 2 592 54 54 GLU HG3 H 2.199 0.02 2 593 54 54 GLU C C 179.536 0.02 1 594 54 54 GLU CA C 60.016 0.02 1 595 54 54 GLU CB C 30.139 0.02 1 596 54 54 GLU CG C 36.717 0.02 1 597 54 54 GLU N N 116.362 0.02 1 598 55 55 ARG H H 7.234 0.02 1 599 55 55 ARG HA H 3.860 0.02 1 600 55 55 ARG HB2 H 1.473 0.02 2 601 55 55 ARG HB3 H 1.660 0.02 2 602 55 55 ARG HD2 H 2.977 0.02 2 603 55 55 ARG HD3 H 2.756 0.02 2 604 55 55 ARG HE H 7.105 0.02 1 605 55 55 ARG HG2 H 1.268 0.02 2 606 55 55 ARG HG3 H 1.098 0.02 2 607 55 55 ARG C C 179.005 0.02 1 608 55 55 ARG CA C 58.689 0.02 1 609 55 55 ARG CB C 30.657 0.02 1 610 55 55 ARG CD C 43.316 0.02 1 611 55 55 ARG CG C 27.623 0.02 1 612 55 55 ARG N N 117.505 0.02 1 613 55 55 ARG NE N 85.817 0.02 1 614 56 56 LEU H H 7.942 0.02 1 615 56 56 LEU HA H 3.952 0.02 1 616 56 56 LEU HB2 H 1.398 0.02 2 617 56 56 LEU HB3 H 2.015 0.02 2 618 56 56 LEU HD1 H 0.843 0.02 2 619 56 56 LEU HD2 H 0.938 0.02 2 620 56 56 LEU HG H 1.794 0.02 1 621 56 56 LEU C C 178.177 0.02 1 622 56 56 LEU CA C 58.630 0.02 1 623 56 56 LEU CB C 44.031 0.02 1 624 56 56 LEU CD1 C 25.345 0.02 1 625 56 56 LEU CD2 C 27.954 0.02 1 626 56 56 LEU CG C 28.161 0.02 1 627 56 56 LEU N N 120.040 0.02 1 628 57 57 LEU H H 8.013 0.02 1 629 57 57 LEU HA H 4.047 0.02 1 630 57 57 LEU HB2 H 1.510 0.02 2 631 57 57 LEU HB3 H 1.747 0.02 2 632 57 57 LEU HD1 H 0.837 0.02 2 633 57 57 LEU HD2 H 0.844 0.02 2 634 57 57 LEU HG H 1.853 0.02 1 635 57 57 LEU C C 177.392 0.02 1 636 57 57 LEU CA C 57.437 0.02 1 637 57 57 LEU CB C 42.007 0.02 1 638 57 57 LEU CD1 C 24.089 0.02 1 639 57 57 LEU CD2 C 26.264 0.02 1 640 57 57 LEU CG C 28.112 0.02 1 641 57 57 LEU N N 116.831 0.02 1 642 58 58 ALA H H 7.118 0.02 1 643 58 58 ALA HA H 4.376 0.02 1 644 58 58 ALA HB H 1.389 0.02 1 645 58 58 ALA C C 177.413 0.02 1 646 58 58 ALA CA C 52.581 0.02 1 647 58 58 ALA CB C 20.289 0.02 1 648 58 58 ALA N N 119.758 0.02 1 649 59 59 LEU H H 7.158 0.02 1 650 59 59 LEU HA H 4.088 0.02 1 651 59 59 LEU HB2 H 1.582 0.02 2 652 59 59 LEU HB3 H 1.842 0.02 2 653 59 59 LEU HD1 H 0.954 0.02 2 654 59 59 LEU HD2 H 0.888 0.02 2 655 59 59 LEU HG H 1.905 0.02 1 656 59 59 LEU C C 176.628 0.02 1 657 59 59 LEU CA C 56.567 0.02 1 658 59 59 LEU CB C 44.010 0.02 1 659 59 59 LEU CD1 C 25.914 0.02 1 660 59 59 LEU CD2 C 24.994 0.02 1 661 59 59 LEU CG C 27.117 0.02 1 662 59 59 LEU N N 120.674 0.02 1 663 60 60 ASN H H 8.637 0.02 1 664 60 60 ASN HA H 4.741 0.02 1 665 60 60 ASN HB2 H 2.708 0.02 2 666 60 60 ASN HB3 H 2.921 0.02 2 667 60 60 ASN HD21 H 7.551 0.02 2 668 60 60 ASN HD22 H 6.846 0.02 2 669 60 60 ASN C C 173.614 0.02 1 670 60 60 ASN CA C 53.370 0.02 1 671 60 60 ASN CB C 38.308 0.02 1 672 60 60 ASN N N 121.790 0.02 1 673 60 60 ASN ND2 N 112.604 0.02 1 674 61 61 ASP H H 7.891 0.02 1 675 61 61 ASP HA H 4.757 0.02 1 676 61 61 ASP HB2 H 2.422 0.02 2 677 61 61 ASP HB3 H 2.590 0.02 2 678 61 61 ASP C C 176.437 0.02 1 679 61 61 ASP CA C 54.532 0.02 1 680 61 61 ASP CB C 45.882 0.02 1 681 61 61 ASP N N 124.042 0.02 1 682 62 62 SER H H 8.876 0.02 1 683 62 62 SER HA H 4.284 0.02 1 684 62 62 SER HB2 H 3.967 0.02 2 685 62 62 SER HB3 H 4.061 0.02 2 686 62 62 SER C C 175.121 0.02 1 687 62 62 SER CA C 61.806 0.02 1 688 62 62 SER CB C 63.764 0.02 1 689 62 62 SER N N 123.617 0.02 1 690 63 63 ARG H H 9.269 0.02 1 691 63 63 ARG HA H 4.338 0.02 1 692 63 63 ARG HB2 H 2.230 0.02 2 693 63 63 ARG HB3 H 1.700 0.02 2 694 63 63 ARG HD2 H 2.930 0.02 2 695 63 63 ARG HD3 H 3.422 0.02 2 696 63 63 ARG HE H 8.603 0.02 1 697 63 63 ARG HG2 H 1.764 0.02 2 698 63 63 ARG HG3 H 1.945 0.02 2 699 63 63 ARG C C 174.378 0.02 1 700 63 63 ARG CA C 58.282 0.02 1 701 63 63 ARG CB C 30.476 0.02 1 702 63 63 ARG CD C 44.269 0.02 1 703 63 63 ARG CG C 27.310 0.02 1 704 63 63 ARG N N 123.037 0.02 1 705 63 63 ARG NE N 85.187 0.02 1 706 64 64 ILE H H 7.936 0.02 1 707 64 64 ILE HA H 4.816 0.02 1 708 64 64 ILE HB H 1.984 0.02 1 709 64 64 ILE HD1 H 0.968 0.02 1 710 64 64 ILE HG12 H 0.955 0.02 2 711 64 64 ILE HG13 H 1.583 0.02 2 712 64 64 ILE HG2 H 0.915 0.02 1 713 64 64 ILE C C 176.649 0.02 1 714 64 64 ILE CA C 61.290 0.02 1 715 64 64 ILE CB C 39.078 0.02 1 716 64 64 ILE CD1 C 15.425 0.02 1 717 64 64 ILE CG1 C 28.780 0.02 1 718 64 64 ILE CG2 C 18.065 0.02 1 719 64 64 ILE N N 119.492 0.02 1 720 65 65 THR H H 9.296 0.02 1 721 65 65 THR HA H 4.552 0.02 1 722 65 65 THR HB H 4.750 0.02 1 723 65 65 THR HG2 H 1.412 0.02 1 724 65 65 THR C C 177.456 0.02 1 725 65 65 THR CA C 62.185 0.02 1 726 65 65 THR CB C 72.215 0.02 1 727 65 65 THR CG2 C 22.708 0.02 1 728 65 65 THR N N 119.333 0.02 1 729 66 66 SER H H 9.140 0.02 1 730 66 66 SER HA H 4.276 0.02 1 731 66 66 SER HB2 H 3.975 0.02 2 732 66 66 SER HB3 H 4.024 0.02 2 733 66 66 SER C C 174.696 0.02 1 734 66 66 SER CA C 61.639 0.02 1 735 66 66 SER CB C 63.510 0.02 1 736 66 66 SER N N 117.615 0.02 1 737 67 67 ASP H H 7.998 0.02 1 738 67 67 ASP HA H 4.719 0.02 1 739 67 67 ASP HB2 H 2.680 0.02 2 740 67 67 ASP HB3 H 2.725 0.02 2 741 67 67 ASP C C 175.545 0.02 1 742 67 67 ASP CA C 54.165 0.02 1 743 67 67 ASP CB C 40.897 0.02 1 744 67 67 ASP N N 118.172 0.02 1 745 68 68 GLY H H 8.189 0.02 1 746 68 68 GLY HA2 H 3.893 0.02 2 747 68 68 GLY HA3 H 3.490 0.02 2 748 68 68 GLY C C 172.383 0.02 1 749 68 68 GLY CA C 48.003 0.02 1 750 68 68 GLY N N 109.061 0.02 1 751 69 69 VAL H H 7.532 0.02 1 752 69 69 VAL HA H 4.686 0.02 1 753 69 69 VAL HB H 2.038 0.02 1 754 69 69 VAL HG1 H 0.740 0.02 2 755 69 69 VAL HG2 H 0.652 0.02 2 756 69 69 VAL C C 175.100 0.02 1 757 69 69 VAL CA C 61.267 0.02 1 758 69 69 VAL CB C 34.217 0.02 1 759 69 69 VAL CG1 C 22.793 0.02 1 760 69 69 VAL CG2 C 22.012 0.02 1 761 69 69 VAL N N 121.005 0.02 1 762 70 70 ILE H H 9.261 0.02 1 763 70 70 ILE HA H 4.818 0.02 1 764 70 70 ILE HB H 2.002 0.02 1 765 70 70 ILE HD1 H 0.741 0.02 1 766 70 70 ILE HG12 H 1.968 0.02 2 767 70 70 ILE HG13 H 1.122 0.02 2 768 70 70 ILE HG2 H 0.939 0.02 1 769 70 70 ILE C C 174.824 0.02 1 770 70 70 ILE CA C 62.105 0.02 1 771 70 70 ILE CB C 39.745 0.02 1 772 70 70 ILE CD1 C 17.615 0.02 1 773 70 70 ILE CG1 C 29.016 0.02 1 774 70 70 ILE CG2 C 14.794 0.02 1 775 70 70 ILE N N 127.489 0.02 1 776 71 71 VAL H H 8.544 0.02 1 777 71 71 VAL HA H 5.217 0.02 1 778 71 71 VAL HB H 1.936 0.02 1 779 71 71 VAL HG1 H 0.936 0.02 2 780 71 71 VAL HG2 H 0.829 0.02 2 781 71 71 VAL C C 175.439 0.02 1 782 71 71 VAL CA C 61.078 0.02 1 783 71 71 VAL CB C 35.083 0.02 1 784 71 71 VAL CG1 C 21.585 0.02 1 785 71 71 VAL CG2 C 22.479 0.02 1 786 71 71 VAL N N 127.498 0.02 1 787 72 72 LEU H H 8.704 0.02 1 788 72 72 LEU HA H 4.833 0.02 1 789 72 72 LEU HB2 H 1.640 0.02 2 790 72 72 LEU HB3 H 1.496 0.02 2 791 72 72 LEU HD1 H 0.850 0.02 2 792 72 72 LEU HD2 H 0.786 0.02 2 793 72 72 LEU HG H 1.567 0.02 1 794 72 72 LEU C C 174.633 0.02 1 795 72 72 LEU CA C 54.078 0.02 1 796 72 72 LEU CB C 46.052 0.02 1 797 72 72 LEU CD1 C 25.482 0.02 1 798 72 72 LEU CD2 C 26.707 0.02 1 799 72 72 LEU CG C 27.112 0.02 1 800 72 72 LEU N N 123.352 0.02 1 801 73 73 LYS H H 8.631 0.02 1 802 73 73 LYS HA H 4.887 0.02 1 803 73 73 LYS HB2 H 1.696 0.02 2 804 73 73 LYS HB3 H 1.673 0.02 2 805 73 73 LYS HD2 H 1.602 0.02 2 806 73 73 LYS HD3 H 1.602 0.02 2 807 73 73 LYS HE2 H 2.836 0.02 2 808 73 73 LYS HE3 H 2.827 0.02 2 809 73 73 LYS HG2 H 1.119 0.02 2 810 73 73 LYS HG3 H 1.285 0.02 2 811 73 73 LYS C C 174.803 0.02 1 812 73 73 LYS CA C 56.117 0.02 1 813 73 73 LYS CB C 35.548 0.02 1 814 73 73 LYS CD C 30.250 0.02 1 815 73 73 LYS CE C 42.731 0.02 1 816 73 73 LYS CG C 26.088 0.02 1 817 73 73 LYS N N 121.944 0.02 1 818 74 74 ALA H H 8.998 0.02 1 819 74 74 ALA HA H 4.763 0.02 1 820 74 74 ALA HB H 1.405 0.02 1 821 74 74 ALA C C 174.887 0.02 1 822 74 74 ALA CA C 52.521 0.02 1 823 74 74 ALA CB C 22.599 0.02 1 824 74 74 ALA N N 130.065 0.02 1 825 75 75 GLN H H 8.990 0.02 1 826 75 75 GLN HA H 4.783 0.02 1 827 75 75 GLN HB2 H 2.192 0.02 2 828 75 75 GLN HB3 H 1.802 0.02 2 829 75 75 GLN HE21 H 7.484 0.02 2 830 75 75 GLN HE22 H 6.812 0.02 2 831 75 75 GLN HG2 H 2.130 0.02 2 832 75 75 GLN HG3 H 2.130 0.02 2 833 75 75 GLN C C 175.057 0.02 1 834 75 75 GLN CA C 54.617 0.02 1 835 75 75 GLN CB C 31.835 0.02 1 836 75 75 GLN CG C 33.479 0.02 1 837 75 75 GLN N N 121.800 0.02 1 838 75 75 GLN NE2 N 112.322 0.02 1 839 76 76 GLN H H 8.996 0.02 1 840 76 76 GLN HA H 3.927 0.02 1 841 76 76 GLN HB2 H 1.502 0.02 2 842 76 76 GLN HB3 H 1.780 0.02 2 843 76 76 GLN HE21 H 7.343 0.02 2 844 76 76 GLN HE22 H 6.776 0.02 2 845 76 76 GLN HG2 H 1.822 0.02 2 846 76 76 GLN HG3 H 1.854 0.02 2 847 76 76 GLN C C 176.416 0.02 1 848 76 76 GLN CA C 59.058 0.02 1 849 76 76 GLN CB C 30.029 0.02 1 850 76 76 GLN CG C 34.242 0.02 1 851 76 76 GLN N N 122.872 0.02 1 852 76 76 GLN NE2 N 113.091 0.02 1 853 77 77 TYR H H 8.655 0.02 1 854 77 77 TYR HA H 4.821 0.02 1 855 77 77 TYR HB2 H 3.247 0.02 2 856 77 77 TYR HB3 H 2.474 0.02 2 857 77 77 TYR HD1 H 7.091 0.02 1 858 77 77 TYR HD2 H 7.091 0.02 1 859 77 77 TYR HE1 H 6.713 0.02 1 860 77 77 TYR HE2 H 6.713 0.02 1 861 77 77 TYR C C 176.501 0.02 1 862 77 77 TYR CA C 57.853 0.02 1 863 77 77 TYR CB C 41.152 0.02 1 864 77 77 TYR CD1 C 133.849 0.02 1 865 77 77 TYR CE1 C 118.800 0.02 1 866 77 77 TYR N N 117.344 0.02 1 867 78 78 ARG H H 8.920 0.02 1 868 78 78 ARG HA H 4.387 0.02 1 869 78 78 ARG HB2 H 1.935 0.02 2 870 78 78 ARG HB3 H 2.101 0.02 2 871 78 78 ARG HD2 H 3.267 0.02 2 872 78 78 ARG HD3 H 3.267 0.02 2 873 78 78 ARG HG2 H 1.786 0.02 2 874 78 78 ARG HG3 H 1.716 0.02 2 875 78 78 ARG C C 176.437 0.02 1 876 78 78 ARG CA C 57.971 0.02 1 877 78 78 ARG CB C 31.817 0.02 1 878 78 78 ARG CD C 44.006 0.02 1 879 78 78 ARG CG C 28.202 0.02 1 880 78 78 ARG N N 118.686 0.02 1 881 79 79 THR H H 7.227 0.02 1 882 79 79 THR HA H 4.911 0.02 1 883 79 79 THR HB H 4.614 0.02 1 884 79 79 THR HG2 H 1.223 0.02 1 885 79 79 THR C C 174.314 0.02 1 886 79 79 THR CA C 59.754 0.02 1 887 79 79 THR CB C 72.787 0.02 1 888 79 79 THR CG2 C 22.064 0.02 1 889 79 79 THR N N 105.648 0.02 1 890 80 80 GLN H H 9.290 0.02 1 891 80 80 GLN HA H 4.368 0.02 1 892 80 80 GLN HB2 H 2.092 0.02 2 893 80 80 GLN HB3 H 2.114 0.02 2 894 80 80 GLN HE21 H 7.756 0.02 2 895 80 80 GLN HE22 H 6.908 0.02 2 896 80 80 GLN HG2 H 2.381 0.02 2 897 80 80 GLN HG3 H 2.639 0.02 2 898 80 80 GLN C C 178.665 0.02 1 899 80 80 GLN CA C 60.126 0.02 1 900 80 80 GLN CB C 29.632 0.02 1 901 80 80 GLN CG C 35.792 0.02 1 902 80 80 GLN N N 124.247 0.02 1 903 80 80 GLN NE2 N 112.835 0.02 1 904 81 81 GLU H H 9.252 0.02 1 905 81 81 GLU HA H 3.971 0.02 1 906 81 81 GLU HB2 H 2.081 0.02 2 907 81 81 GLU HB3 H 1.928 0.02 2 908 81 81 GLU HG2 H 2.287 0.02 2 909 81 81 GLU HG3 H 2.420 0.02 2 910 81 81 GLU C C 179.599 0.02 1 911 81 81 GLU CA C 61.175 0.02 1 912 81 81 GLU CB C 29.595 0.02 1 913 81 81 GLU CG C 37.059 0.02 1 914 81 81 GLU N N 119.222 0.02 1 915 82 82 GLN H H 7.603 0.02 1 916 82 82 GLN HA H 3.961 0.02 1 917 82 82 GLN HB2 H 1.472 0.02 2 918 82 82 GLN HB3 H 1.951 0.02 2 919 82 82 GLN HE21 H 7.427 0.02 2 920 82 82 GLN HE22 H 6.906 0.02 2 921 82 82 GLN HG2 H 2.104 0.02 2 922 82 82 GLN HG3 H 2.110 0.02 2 923 82 82 GLN C C 179.238 0.02 1 924 82 82 GLN CA C 59.209 0.02 1 925 82 82 GLN CB C 30.246 0.02 1 926 82 82 GLN CG C 35.679 0.02 1 927 82 82 GLN N N 118.416 0.02 1 928 82 82 GLN NE2 N 113.862 0.02 1 929 83 83 ASN H H 7.949 0.02 1 930 83 83 ASN HA H 4.793 0.02 1 931 83 83 ASN HB2 H 2.859 0.02 2 932 83 83 ASN HB3 H 2.839 0.02 2 933 83 83 ASN HD21 H 7.353 0.02 2 934 83 83 ASN HD22 H 6.873 0.02 2 935 83 83 ASN C C 176.437 0.02 1 936 83 83 ASN CA C 57.522 0.02 1 937 83 83 ASN CB C 38.222 0.02 1 938 83 83 ASN N N 119.639 0.02 1 939 83 83 ASN ND2 N 117.199 0.02 1 940 84 84 ARG H H 9.170 0.02 1 941 84 84 ARG HA H 3.686 0.02 1 942 84 84 ARG HB2 H 1.923 0.02 2 943 84 84 ARG HB3 H 1.914 0.02 2 944 84 84 ARG HD2 H 3.212 0.02 2 945 84 84 ARG HD3 H 3.228 0.02 2 946 84 84 ARG HG2 H 1.540 0.02 2 947 84 84 ARG HG3 H 1.575 0.02 2 948 84 84 ARG C C 176.479 0.02 1 949 84 84 ARG CA C 61.110 0.02 1 950 84 84 ARG CB C 31.149 0.02 1 951 84 84 ARG CD C 43.877 0.02 1 952 84 84 ARG CG C 29.056 0.02 1 953 84 84 ARG N N 123.844 0.02 1 954 85 85 ALA H H 7.416 0.02 1 955 85 85 ALA HA H 4.023 0.02 1 956 85 85 ALA HB H 1.431 0.02 1 957 85 85 ALA C C 180.427 0.02 1 958 85 85 ALA CA C 55.793 0.02 1 959 85 85 ALA CB C 18.736 0.02 1 960 85 85 ALA N N 119.244 0.02 1 961 86 86 ASP H H 7.872 0.02 1 962 86 86 ASP HA H 4.539 0.02 1 963 86 86 ASP HB2 H 2.920 0.02 2 964 86 86 ASP HB3 H 2.944 0.02 2 965 86 86 ASP C C 177.095 0.02 1 966 86 86 ASP CA C 58.207 0.02 1 967 86 86 ASP CB C 44.314 0.02 1 968 86 86 ASP N N 118.731 0.02 1 969 87 87 ALA H H 8.334 0.02 1 970 87 87 ALA HA H 3.770 0.02 1 971 87 87 ALA HB H 1.361 0.02 1 972 87 87 ALA C C 178.559 0.02 1 973 87 87 ALA CA C 56.256 0.02 1 974 87 87 ALA CB C 18.285 0.02 1 975 87 87 ALA N N 121.276 0.02 1 976 88 88 LEU H H 7.676 0.02 1 977 88 88 LEU HA H 3.791 0.02 1 978 88 88 LEU HB2 H 1.829 0.02 2 979 88 88 LEU HB3 H 1.383 0.02 2 980 88 88 LEU HD1 H 0.879 0.02 2 981 88 88 LEU HD2 H 0.821 0.02 2 982 88 88 LEU HG H 1.741 0.02 1 983 88 88 LEU C C 179.260 0.02 1 984 88 88 LEU CA C 58.710 0.02 1 985 88 88 LEU CB C 42.466 0.02 1 986 88 88 LEU CD1 C 26.369 0.02 1 987 88 88 LEU CD2 C 24.100 0.02 1 988 88 88 LEU CG C 27.938 0.02 1 989 88 88 LEU N N 116.455 0.02 1 990 89 89 LEU H H 8.035 0.02 1 991 89 89 LEU HA H 4.090 0.02 1 992 89 89 LEU HB2 H 1.809 0.02 2 993 89 89 LEU HB3 H 1.898 0.02 2 994 89 89 LEU HD1 H 0.917 0.02 2 995 89 89 LEU HD2 H 0.822 0.02 2 996 89 89 LEU HG H 1.632 0.02 1 997 89 89 LEU C C 179.684 0.02 1 998 89 89 LEU CA C 58.898 0.02 1 999 89 89 LEU CB C 42.434 0.02 1 1000 89 89 LEU CD1 C 25.221 0.02 1 1001 89 89 LEU CD2 C 25.917 0.02 1 1002 89 89 LEU CG C 27.805 0.02 1 1003 89 89 LEU N N 123.082 0.02 1 1004 90 90 ARG H H 8.534 0.02 1 1005 90 90 ARG HA H 4.056 0.02 1 1006 90 90 ARG HB2 H 1.794 0.02 2 1007 90 90 ARG HB3 H 1.807 0.02 2 1008 90 90 ARG HD2 H 3.224 0.02 2 1009 90 90 ARG HD3 H 3.172 0.02 2 1010 90 90 ARG HE H 7.516 0.02 1 1011 90 90 ARG HG2 H 1.861 0.02 2 1012 90 90 ARG HG3 H 1.854 0.02 2 1013 90 90 ARG C C 179.875 0.02 1 1014 90 90 ARG CA C 59.871 0.02 1 1015 90 90 ARG CB C 31.230 0.02 1 1016 90 90 ARG CD C 44.944 0.02 1 1017 90 90 ARG CG C 28.539 0.02 1 1018 90 90 ARG N N 120.204 0.02 1 1019 90 90 ARG NE N 87.014 0.02 1 1020 91 91 LEU H H 8.280 0.02 1 1021 91 91 LEU HA H 3.945 0.02 1 1022 91 91 LEU HB2 H 1.359 0.02 2 1023 91 91 LEU HB3 H 1.897 0.02 2 1024 91 91 LEU HD1 H 0.392 0.02 2 1025 91 91 LEU HD2 H 0.639 0.02 2 1026 91 91 LEU HG H 1.117 0.02 1 1027 91 91 LEU C C 177.286 0.02 1 1028 91 91 LEU CA C 59.064 0.02 1 1029 91 91 LEU CB C 41.861 0.02 1 1030 91 91 LEU CD1 C 26.752 0.02 1 1031 91 91 LEU CD2 C 23.735 0.02 1 1032 91 91 LEU CG C 27.653 0.02 1 1033 91 91 LEU N N 122.126 0.02 1 1034 92 92 SER H H 8.162 0.02 1 1035 92 92 SER HA H 3.788 0.02 1 1036 92 92 SER HB2 H 4.024 0.02 2 1037 92 92 SER HB3 H 3.958 0.02 2 1038 92 92 SER C C 175.163 0.02 1 1039 92 92 SER CA C 63.351 0.02 1 1040 92 92 SER CB C 63.421 0.02 1 1041 92 92 SER N N 114.489 0.02 1 1042 93 93 GLU H H 8.232 0.02 1 1043 93 93 GLU HA H 3.936 0.02 1 1044 93 93 GLU HB2 H 2.115 0.02 2 1045 93 93 GLU HB3 H 2.016 0.02 2 1046 93 93 GLU HG2 H 2.438 0.02 2 1047 93 93 GLU HG3 H 2.212 0.02 2 1048 93 93 GLU C C 177.965 0.02 1 1049 93 93 GLU CA C 60.171 0.02 1 1050 93 93 GLU CB C 30.695 0.02 1 1051 93 93 GLU CG C 37.195 0.02 1 1052 93 93 GLU N N 120.425 0.02 1 1053 94 94 LEU H H 7.621 0.02 1 1054 94 94 LEU HA H 4.078 0.02 1 1055 94 94 LEU HB2 H 1.833 0.02 2 1056 94 94 LEU HB3 H 1.777 0.02 2 1057 94 94 LEU HD1 H 0.919 0.02 2 1058 94 94 LEU HD2 H 0.828 0.02 2 1059 94 94 LEU HG H 1.633 0.02 1 1060 94 94 LEU C C 178.644 0.02 1 1061 94 94 LEU CA C 59.454 0.02 1 1062 94 94 LEU CB C 43.402 0.02 1 1063 94 94 LEU CD1 C 25.031 0.02 1 1064 94 94 LEU CD2 C 25.802 0.02 1 1065 94 94 LEU CG C 28.423 0.02 1 1066 94 94 LEU N N 121.614 0.02 1 1067 95 95 ILE H H 7.902 0.02 1 1068 95 95 ILE HA H 3.595 0.02 1 1069 95 95 ILE HB H 1.853 0.02 1 1070 95 95 ILE HD1 H 0.402 0.02 1 1071 95 95 ILE HG12 H 1.891 0.02 2 1072 95 95 ILE HG13 H 0.831 0.02 2 1073 95 95 ILE HG2 H 0.887 0.02 1 1074 95 95 ILE C C 177.286 0.02 1 1075 95 95 ILE CA C 67.222 0.02 1 1076 95 95 ILE CB C 38.943 0.02 1 1077 95 95 ILE CD1 C 14.488 0.02 1 1078 95 95 ILE CG1 C 29.801 0.02 1 1079 95 95 ILE CG2 C 19.400 0.02 1 1080 95 95 ILE N N 118.623 0.02 1 1081 96 96 VAL H H 8.543 0.02 1 1082 96 96 VAL HA H 3.712 0.02 1 1083 96 96 VAL HB H 2.116 0.02 1 1084 96 96 VAL HG1 H 0.990 0.02 2 1085 96 96 VAL HG2 H 1.147 0.02 2 1086 96 96 VAL C C 179.260 0.02 1 1087 96 96 VAL CA C 67.418 0.02 1 1088 96 96 VAL CB C 32.901 0.02 1 1089 96 96 VAL CG1 C 22.035 0.02 1 1090 96 96 VAL CG2 C 24.267 0.02 1 1091 96 96 VAL N N 118.664 0.02 1 1092 97 97 ASN H H 8.455 0.02 1 1093 97 97 ASN HA H 4.482 0.02 1 1094 97 97 ASN HB2 H 2.754 0.02 2 1095 97 97 ASN HB3 H 3.033 0.02 2 1096 97 97 ASN HD21 H 7.596 0.02 2 1097 97 97 ASN HD22 H 7.026 0.02 2 1098 97 97 ASN C C 177.944 0.02 1 1099 97 97 ASN CA C 56.565 0.02 1 1100 97 97 ASN CB C 38.710 0.02 1 1101 97 97 ASN N N 118.576 0.02 1 1102 97 97 ASN ND2 N 113.091 0.02 1 1103 98 98 ALA H H 8.139 0.02 1 1104 98 98 ALA HA H 4.087 0.02 1 1105 98 98 ALA HB H 1.444 0.02 1 1106 98 98 ALA C C 178.262 0.02 1 1107 98 98 ALA CA C 55.306 0.02 1 1108 98 98 ALA CB C 19.310 0.02 1 1109 98 98 ALA N N 123.015 0.02 1 1110 99 99 ALA H H 7.493 0.02 1 1111 99 99 ALA HA H 3.892 0.02 1 1112 99 99 ALA HB H 1.265 0.02 1 1113 99 99 ALA C C 176.861 0.02 1 1114 99 99 ALA CA C 53.734 0.02 1 1115 99 99 ALA CB C 19.766 0.02 1 1116 99 99 ALA N N 118.018 0.02 1 1117 100 100 LYS H H 7.443 0.02 1 1118 100 100 LYS HA H 4.211 0.02 1 1119 100 100 LYS HB2 H 1.892 0.02 2 1120 100 100 LYS HB3 H 1.879 0.02 2 1121 100 100 LYS HD2 H 1.713 0.02 2 1122 100 100 LYS HD3 H 1.711 0.02 2 1123 100 100 LYS HE2 H 2.991 0.02 2 1124 100 100 LYS HE3 H 2.992 0.02 2 1125 100 100 LYS HG2 H 1.598 0.02 2 1126 100 100 LYS HG3 H 1.457 0.02 2 1127 100 100 LYS C C 176.479 0.02 1 1128 100 100 LYS CA C 57.829 0.02 1 1129 100 100 LYS CB C 33.732 0.02 1 1130 100 100 LYS CD C 30.252 0.02 1 1131 100 100 LYS CE C 43.109 0.02 1 1132 100 100 LYS CG C 25.887 0.02 1 1133 100 100 LYS N N 117.836 0.02 1 1134 101 101 LEU H H 7.897 0.02 1 1135 101 101 LEU HA H 4.282 0.02 1 1136 101 101 LEU HB2 H 1.642 0.02 2 1137 101 101 LEU HB3 H 1.508 0.02 2 1138 101 101 LEU HD1 H 0.837 0.02 2 1139 101 101 LEU HD2 H 0.891 0.02 2 1140 101 101 LEU HG H 1.635 0.02 1 1141 101 101 LEU C C 176.861 0.02 1 1142 101 101 LEU CA C 56.097 0.02 1 1143 101 101 LEU CB C 43.083 0.02 1 1144 101 101 LEU CD1 C 24.341 0.02 1 1145 101 101 LEU CD2 C 25.842 0.02 1 1146 101 101 LEU CG C 26.770 0.02 1 1147 101 101 LEU N N 122.839 0.02 1 1148 102 102 GLU H H 8.347 0.02 1 1149 102 102 GLU HA H 4.214 0.02 1 1150 102 102 GLU HB2 H 1.855 0.02 2 1151 102 102 GLU HB3 H 1.892 0.02 2 1152 102 102 GLU HG2 H 2.139 0.02 2 1153 102 102 GLU HG3 H 2.199 0.02 2 1154 102 102 GLU C C 175.906 0.02 1 1155 102 102 GLU CA C 56.985 0.02 1 1156 102 102 GLU CB C 31.229 0.02 1 1157 102 102 GLU CG C 36.765 0.02 1 1158 102 102 GLU N N 122.590 0.02 1 1159 103 103 HIS H H 8.445 0.02 1 1160 103 103 HIS HA H 4.602 0.02 1 1161 103 103 HIS HB2 H 3.101 0.02 2 1162 103 103 HIS HB3 H 3.008 0.02 2 1163 103 103 HIS HD2 H 7.107 0.02 1 1164 103 103 HIS C C 173.487 0.02 1 1165 103 103 HIS CA C 56.424 0.02 1 1166 103 103 HIS CB C 30.528 0.02 1 1167 103 103 HIS CD2 C 120.434 0.02 1 1168 103 103 HIS N N 120.785 0.02 1 1169 104 104 HIS H H 8.307 0.02 1 1170 104 104 HIS HA H 4.773 0.02 1 1171 104 104 HIS HB2 H 3.121 0.02 2 1172 104 104 HIS HB3 H 3.121 0.02 2 1173 104 104 HIS HD2 H 7.080 0.02 1 1174 104 104 HIS CA C 57.986 0.02 1 1175 104 104 HIS CB C 30.446 0.02 1 1176 104 104 HIS CD2 C 119.840 0.02 1 1177 104 104 HIS N N 126.301 0.02 1 1178 105 105 HIS H H 8.250 0.02 1 stop_ save_