data_27442 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for residues 1-136 of yeast Rpn5. ; _BMRB_accession_number 27442 _BMRB_flat_file_name bmr27442.str _Entry_type original _Submission_date 2018-04-04 _Accession_date 2018-04-04 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Zhang Wenbo . . 2 Zhao Cong . . 3 Hu Yunfei . . 4 Jin Changwen . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 710 "13C chemical shifts" 557 "15N chemical shifts" 144 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2018-09-19 original BMRB . stop_ _Original_release_date 2018-04-04 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Solution structure of the N-terminal domain of proteasome lid subunit Rpn5 ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 30177392 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Zhang Wenbo . . 2 Zhao Cong . . 3 Hu Yunfei . . 4 Jin Changwen . . stop_ _Journal_abbreviation 'Biochem. Biophys. Res. Commun.' _Journal_volume 504 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 225 _Page_last 230 _Year 2018 _Details . loop_ _Keyword '26S proteasome' 'Rpn subunits' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name Rpn5 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label Rpn5 $Rpn5 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_Rpn5 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Rpn5 _Molecular_mass 15.6 _Mol_thiol_state 'all free' _Details '(residues 1-136)' ############################## # Polymer residue sequence # ############################## _Residue_count 136 _Mol_residue_sequence ; MSRDAPIKADKDYSQILKEE FPKIDSLAQNDCNSALDQLL VLEKKTRQASDLASSKEVLA KIVDLLASRNKWDDLNEQLT LLSKKHGQLKLSIQYMIQKV MEYLKSSKSLDLNTRISVIE TIRVVTENKIFVEVER ; loop_ _Residue_seq_code _Residue_label 1 MET 2 SER 3 ARG 4 ASP 5 ALA 6 PRO 7 ILE 8 LYS 9 ALA 10 ASP 11 LYS 12 ASP 13 TYR 14 SER 15 GLN 16 ILE 17 LEU 18 LYS 19 GLU 20 GLU 21 PHE 22 PRO 23 LYS 24 ILE 25 ASP 26 SER 27 LEU 28 ALA 29 GLN 30 ASN 31 ASP 32 CYS 33 ASN 34 SER 35 ALA 36 LEU 37 ASP 38 GLN 39 LEU 40 LEU 41 VAL 42 LEU 43 GLU 44 LYS 45 LYS 46 THR 47 ARG 48 GLN 49 ALA 50 SER 51 ASP 52 LEU 53 ALA 54 SER 55 SER 56 LYS 57 GLU 58 VAL 59 LEU 60 ALA 61 LYS 62 ILE 63 VAL 64 ASP 65 LEU 66 LEU 67 ALA 68 SER 69 ARG 70 ASN 71 LYS 72 TRP 73 ASP 74 ASP 75 LEU 76 ASN 77 GLU 78 GLN 79 LEU 80 THR 81 LEU 82 LEU 83 SER 84 LYS 85 LYS 86 HIS 87 GLY 88 GLN 89 LEU 90 LYS 91 LEU 92 SER 93 ILE 94 GLN 95 TYR 96 MET 97 ILE 98 GLN 99 LYS 100 VAL 101 MET 102 GLU 103 TYR 104 LEU 105 LYS 106 SER 107 SER 108 LYS 109 SER 110 LEU 111 ASP 112 LEU 113 ASN 114 THR 115 ARG 116 ILE 117 SER 118 VAL 119 ILE 120 GLU 121 THR 122 ILE 123 ARG 124 VAL 125 VAL 126 THR 127 GLU 128 ASN 129 LYS 130 ILE 131 PHE 132 VAL 133 GLU 134 VAL 135 GLU 136 ARG 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 _Strain _Gene_mnemonic $Rpn5 "baker's yeast" 4932 Eukaryota Fungi Saccharomyces cerevisiae S288c rpn5 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 $Rpn5 'recombinant technology' . Escherichia coli . 'pET-28a (+)' 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 $Rpn5 0.3 mM '[U-95% 13C; U-95% 15N]' D2O 10 '% v/v' '[U-99% 2H]' DSS 0.1 mg/mL 'natural abundance' DTT 1 mM 'natural abundance' 'sodium phosphate' 50 mM 'natural abundance' 'sodium sulfate' 50 mM 'natural abundance' trifluoroethanol 2 '% v/v' 'natural abundance' sucrose 5 '% w/v' 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ 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_NMRView _Saveframe_category software _Name NMRView _Version . loop_ _Vendor _Address _Electronic_address 'Johnson, One Moon Scientific' . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' 'peak picking' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 500 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 950 _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_3D_HNCA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_1H-15N_TOCSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _Sample_label $sample_1 save_ save_3D_HCCH-COSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-COSY' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C 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' 194 . mM pH 6.0 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 na indirect . 'insert at center of experimental sample tube' . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . 'insert at center of experimental sample tube' . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . 'insert at center of experimental sample tube' . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '3D HNCA' '3D HNCO' '3D HNCACB' '3D CBCA(CO)NH' '3D HN(CO)CA' '3D HBHA(CO)NH' '3D 1H-15N TOCSY' '3D HCCH-COSY' 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 Rpn5 _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 2 2 SER HA H 4.265 0.02 . 2 2 2 SER HB2 H 3.977 0.02 . 3 2 2 SER HB3 H 3.903 0.02 . 4 2 2 SER C C 175.479 0.3 . 5 2 2 SER CA C 61.193 0.3 . 6 2 2 SER CB C 62.328 0.3 . 7 3 3 ARG H H 8.563 0.02 . 8 3 3 ARG HA H 4.751 0.02 . 9 3 3 ARG HB2 H 2.03 0.02 . 10 3 3 ARG C C 176.1 0.3 . 11 3 3 ARG CA C 62.146 0.3 . 12 3 3 ARG CB C 34.247 0.3 . 13 3 3 ARG N N 119.034 0.3 . 14 4 4 ASP H H 8.398 0.02 . 15 4 4 ASP HA H 4.068 0.02 . 16 4 4 ASP HB2 H 1.848 0.02 . 17 4 4 ASP CA C 61.643 0.3 . 18 4 4 ASP CB C 38.483 0.3 . 19 4 4 ASP N N 121.994 0.3 . 20 6 6 PRO HA H 4.419 0.02 . 21 6 6 PRO HB2 H 2.273 0.02 . 22 6 6 PRO HB3 H 1.846 0.02 . 23 6 6 PRO HG2 H 2.01 0.02 . 24 6 6 PRO HD2 H 3.774 0.02 . 25 6 6 PRO HD3 H 3.627 0.02 . 26 6 6 PRO C C 176.671 0.3 . 27 6 6 PRO CA C 62.925 0.3 . 28 6 6 PRO CB C 32.019 0.3 . 29 6 6 PRO CG C 27.363 0.3 . 30 6 6 PRO CD C 50.485 0.3 . 31 7 7 ILE H H 8.193 0.02 . 32 7 7 ILE HA H 4.099 0.02 . 33 7 7 ILE HB H 1.808 0.02 . 34 7 7 ILE HG12 H 1.496 0.02 . 35 7 7 ILE HG13 H 1.189 0.02 . 36 7 7 ILE HG2 H 0.901 0.02 . 37 7 7 ILE HD1 H 0.867 0.02 . 38 7 7 ILE C C 176.039 0.3 . 39 7 7 ILE CA C 61.049 0.3 . 40 7 7 ILE CB C 38.815 0.3 . 41 7 7 ILE CG1 C 27.379 0.3 . 42 7 7 ILE CG2 C 17.323 0.03 . 43 7 7 ILE CD1 C 12.893 0.3 . 44 7 7 ILE N N 121.315 0.3 . 45 8 8 LYS H H 8.359 0.02 . 46 8 8 LYS HA H 4.338 0.02 . 47 8 8 LYS HB2 H 1.787 0.02 . 48 8 8 LYS HB3 H 1.702 0.02 . 49 8 8 LYS HG2 H 1.411 0.02 . 50 8 8 LYS HG3 H 1.364 0.02 . 51 8 8 LYS HD3 H 1.653 0.02 . 52 8 8 LYS HE2 H 2.946 0.02 . 53 8 8 LYS HZ H 7.492 0.02 . 54 8 8 LYS C C 175.565 0.3 . 55 8 8 LYS CA C 55.898 0.3 . 56 8 8 LYS CB C 33.321 0.3 . 57 8 8 LYS CG C 24.666 0.3 . 58 8 8 LYS CD C 29.16 0.3 . 59 8 8 LYS CE C 42.159 0.3 . 60 8 8 LYS N N 126.539 0.3 . 61 9 9 ALA H H 8.387 0.02 . 62 9 9 ALA HA H 4.375 0.02 . 63 9 9 ALA HB H 1.341 0.02 . 64 9 9 ALA C C 177.588 0.3 . 65 9 9 ALA CA C 52.205 0.3 . 66 9 9 ALA CB C 19.601 0.3 . 67 9 9 ALA N N 126.572 0.3 . 68 10 10 ASP H H 8.482 0.02 . 69 10 10 ASP HA H 4.512 0.02 . 70 10 10 ASP HB2 H 2.579 0.02 . 71 10 10 ASP HB3 H 2.647 0.02 . 72 10 10 ASP C C 176.033 0.3 . 73 10 10 ASP CA C 54.909 0.3 . 74 10 10 ASP CB C 41.429 0.3 . 75 10 10 ASP N N 120.361 0.3 . 76 11 11 LYS H H 7.813 0.02 . 77 11 11 LYS HA H 4.197 0.02 . 78 11 11 LYS HB2 H 1.63 0.02 . 79 11 11 LYS HG2 H 1.259 0.02 . 80 11 11 LYS HG3 H 1.074 0.02 . 81 11 11 LYS HD2 H 1.549 0.02 . 82 11 11 LYS HE2 H 2.822 0.02 . 83 11 11 LYS HE3 H 2.769 0.02 . 84 11 11 LYS C C 174.09 0.3 . 85 11 11 LYS CA C 55.886 0.3 . 86 11 11 LYS CB C 34.426 0.3 . 87 11 11 LYS CG C 24.836 0.3 . 88 11 11 LYS CD C 29.034 0.3 . 89 11 11 LYS CE C 42.022 0.3 . 90 11 11 LYS N N 118.944 0.3 . 91 12 12 ASP H H 7.875 0.02 . 92 12 12 ASP HA H 4.704 0.02 . 93 12 12 ASP HB2 H 2.731 0.02 . 94 12 12 ASP HB3 H 2.617 0.02 . 95 12 12 ASP C C 177.235 0.3 . 96 12 12 ASP CA C 52.527 0.3 . 97 12 12 ASP CB C 41.782 0.3 . 98 12 12 ASP N N 119.946 0.3 . 99 13 13 TYR H H 9.37 0.02 . 100 13 13 TYR HA H 4.201 0.02 . 101 13 13 TYR HB2 H 3.058 0.02 . 102 13 13 TYR HB3 H 2.812 0.02 . 103 13 13 TYR C C 176.497 0.3 . 104 13 13 TYR CA C 60.542 0.3 . 105 13 13 TYR CB C 38.278 0.3 . 106 13 13 TYR N N 124.997 0.3 . 107 14 14 SER H H 8.614 0.02 . 108 14 14 SER HA H 3.857 0.02 . 109 14 14 SER HB2 H 3.765 0.02 . 110 14 14 SER C C 177.105 0.3 . 111 14 14 SER CA C 62.661 0.3 . 112 14 14 SER N N 117.441 0.3 . 113 15 15 GLN H H 8.172 0.02 . 114 15 15 GLN HA H 4.023 0.02 . 115 15 15 GLN HB2 H 1.999 0.02 . 116 15 15 GLN HG2 H 2.316 0.02 . 117 15 15 GLN HE21 H 7.663 0.02 . 118 15 15 GLN HE22 H 6.797 0.02 . 119 15 15 GLN C C 178.36 0.3 . 120 15 15 GLN CA C 58.044 0.3 . 121 15 15 GLN CB C 27.996 0.3 . 122 15 15 GLN CG C 33.614 0.3 . 123 15 15 GLN N N 121.176 0.3 . 124 15 15 GLN NE2 N 112.857 0.3 . 125 16 16 ILE H H 7.42 0.02 . 126 16 16 ILE HA H 3.798 0.02 . 127 16 16 ILE HB H 1.918 0.02 . 128 16 16 ILE HG12 H 1.493 0.02 . 129 16 16 ILE HG13 H 1.208 0.02 . 130 16 16 ILE HG2 H 0.922 0.02 . 131 16 16 ILE HD1 H 0.678 0.02 . 132 16 16 ILE C C 178.647 0.3 . 133 16 16 ILE CA C 64.103 0.3 . 134 16 16 ILE CB C 37.774 0.3 . 135 16 16 ILE CG1 C 29.188 0.3 . 136 16 16 ILE CG2 C 17.305 0.3 . 137 16 16 ILE CD1 C 12.863 0.3 . 138 16 16 ILE N N 121.53 0.3 . 139 17 17 LEU H H 8.116 0.02 . 140 17 17 LEU HA H 3.276 0.02 . 141 17 17 LEU HB2 H 1.47 0.02 . 142 17 17 LEU HB3 H 0.477 0.02 . 143 17 17 LEU HG H 1.581 0.02 . 144 17 17 LEU HD1 H 0.587 0.02 . 145 17 17 LEU HD2 H 0.789 0.02 . 146 17 17 LEU C C 178.328 0.3 . 147 17 17 LEU CA C 58.797 0.3 . 148 17 17 LEU CB C 39.865 0.3 . 149 17 17 LEU CG C 27.046 0.3 . 150 17 17 LEU CD1 C 23.68 0.3 . 151 17 17 LEU CD2 C 25.133 0.3 . 152 17 17 LEU N N 118.964 0.3 . 153 18 18 LYS H H 7.027 0.02 . 154 18 18 LYS HA H 3.902 0.02 . 155 18 18 LYS HB2 H 1.856 0.02 . 156 18 18 LYS HG2 H 1.391 0.02 . 157 18 18 LYS HG3 H 1.57 0.02 . 158 18 18 LYS HE2 H 2.991 0.02 . 159 18 18 LYS C C 178.574 0.3 . 160 18 18 LYS CA C 59.011 0.3 . 161 18 18 LYS CB C 32.397 0.3 . 162 18 18 LYS CG C 25.159 0.3 . 163 18 18 LYS CD C 29.217 0.3 . 164 18 18 LYS CE C 42.131 0.3 . 165 18 18 LYS N N 115.178 0.3 . 166 19 19 GLU H H 7.329 0.02 . 167 19 19 GLU HA H 4.204 0.02 . 168 19 19 GLU HB2 H 2.164 0.02 . 169 19 19 GLU HB3 H 2.066 0.02 . 170 19 19 GLU HG2 H 2.24 0.02 . 171 19 19 GLU HG3 H 2.404 0.02 . 172 19 19 GLU C C 178.828 0.3 . 173 19 19 GLU CA C 57.825 0.3 . 174 19 19 GLU CB C 30.455 0.3 . 175 19 19 GLU CG C 36.117 0.3 . 176 19 19 GLU N N 116.133 0.3 . 177 20 20 GLU H H 8.58 0.02 . 178 20 20 GLU HA H 4.338 0.02 . 179 20 20 GLU HB2 H 1.758 0.02 . 180 20 20 GLU HB3 H 2.26 0.02 . 181 20 20 GLU HG2 H 2.516 0.02 . 182 20 20 GLU C C 179.347 0.3 . 183 20 20 GLU CA C 58.049 0.3 . 184 20 20 GLU CB C 30.673 0.3 . 185 20 20 GLU CG C 36.202 0.3 . 186 20 20 GLU N N 116.835 0.3 . 187 21 21 PHE H H 9.052 0.02 . 188 21 21 PHE HA H 4.685 0.02 . 189 21 21 PHE HB2 H 3.575 0.02 . 190 21 21 PHE HB3 H 3.24 0.02 . 191 21 21 PHE CA C 60.106 0.3 . 192 21 21 PHE CB C 34.279 0.3 . 193 21 21 PHE N N 119.56 0.3 . 194 22 22 PRO HA H 4.408 0.02 . 195 22 22 PRO HB2 H 2.402 0.02 . 196 22 22 PRO HB3 H 1.802 0.02 . 197 22 22 PRO HG2 H 2.153 0.02 . 198 22 22 PRO HG3 H 2.026 0.02 . 199 22 22 PRO HD2 H 3.54 0.02 . 200 22 22 PRO HD3 H 3.627 0.02 . 201 22 22 PRO C C 180.067 0.3 . 202 22 22 PRO CA C 66.244 0.3 . 203 22 22 PRO CB C 31.302 0.3 . 204 22 22 PRO CG C 28.742 0.3 . 205 22 22 PRO CD C 50.78 0.3 . 206 23 23 LYS H H 6.855 0.02 . 207 23 23 LYS HA H 4.114 0.02 . 208 23 23 LYS HB2 H 2.142 0.02 . 209 23 23 LYS HB3 H 1.963 0.02 . 210 23 23 LYS HG2 H 1.423 0.02 . 211 23 23 LYS HG3 H 1.65 0.02 . 212 23 23 LYS HD2 H 1.746 0.02 . 213 23 23 LYS HE2 H 2.955 0.02 . 214 23 23 LYS C C 179.872 0.3 . 215 23 23 LYS CA C 59.205 0.3 . 216 23 23 LYS CB C 32.273 0.3 . 217 23 23 LYS CG C 25.19 0.3 . 218 23 23 LYS CD C 29.695 0.3 . 219 23 23 LYS CE C 42.235 0.3 . 220 23 23 LYS N N 116.915 0.3 . 221 24 24 ILE H H 8.319 0.02 . 222 24 24 ILE HA H 3.534 0.02 . 223 24 24 ILE HB H 2.021 0.02 . 224 24 24 ILE HG12 H 1.038 0.02 . 225 24 24 ILE HG2 H 0.815 0.02 . 226 24 24 ILE HD1 H 0.882 0.02 . 227 24 24 ILE C C 177.398 0.3 . 228 24 24 ILE CA C 65.647 0.3 . 229 24 24 ILE CB C 38.154 0.3 . 230 24 24 ILE CG1 C 30.056 0.3 . 231 24 24 ILE CG2 C 17.253 0.3 . 232 24 24 ILE CD1 C 14.322 0.3 . 233 24 24 ILE N N 123.86 0.3 . 234 25 25 ASP H H 8.601 0.02 . 235 25 25 ASP HA H 4.233 0.02 . 236 25 25 ASP HB2 H 2.657 0.02 . 237 25 25 ASP HB3 H 2.538 0.02 . 238 25 25 ASP C C 179.169 0.3 . 239 25 25 ASP CA C 57.724 0.3 . 240 25 25 ASP CB C 40.09 0.3 . 241 25 25 ASP N N 120.311 0.3 . 242 26 26 SER H H 7.5 0.02 . 243 26 26 SER HA H 4.212 0.02 . 244 26 26 SER HB2 H 3.931 0.02 . 245 26 26 SER C C 177.588 0.3 . 246 26 26 SER CA C 61.64 0.3 . 247 26 26 SER CB C 62.758 0.3 . 248 26 26 SER N N 114.026 0.3 . 249 27 27 LEU H H 7.961 0.02 . 250 27 27 LEU HA H 4.163 0.02 . 251 27 27 LEU HB2 H 1.779 0.02 . 252 27 27 LEU HB3 H 1.716 0.02 . 253 27 27 LEU HG H 1.663 0.02 . 254 27 27 LEU HD1 H 0.786 0.02 . 255 27 27 LEU HD2 H 0.928 0.02 . 256 27 27 LEU C C 178.718 0.3 . 257 27 27 LEU CA C 57.59 0.3 . 258 27 27 LEU CB C 42.587 0.3 . 259 27 27 LEU CG C 26.754 0.3 . 260 27 27 LEU CD1 C 25.159 0.3 . 261 27 27 LEU CD2 C 23.75 0.3 . 262 27 27 LEU N N 124.085 0.3 . 263 28 28 ALA H H 8.575 0.02 . 264 28 28 ALA HA H 3.57 0.02 . 265 28 28 ALA HB H 1.264 0.02 . 266 28 28 ALA C C 177.334 0.3 . 267 28 28 ALA CA C 54.247 0.3 . 268 28 28 ALA CB C 18.655 0.3 . 269 28 28 ALA N N 119.154 0.3 . 270 29 29 GLN H H 7.111 0.02 . 271 29 29 GLN HA H 3.952 0.02 . 272 29 29 GLN HB2 H 2.078 0.02 . 273 29 29 GLN HG2 H 2.539 0.02 . 274 29 29 GLN HG3 H 2.45 0.02 . 275 29 29 GLN HE21 H 7.48 0.02 . 276 29 29 GLN C C 176.718 0.3 . 277 29 29 GLN CA C 58.028 0.3 . 278 29 29 GLN CB C 28.584 0.3 . 279 29 29 GLN CG C 33.787 0.3 . 280 29 29 GLN N N 113.04 0.3 . 281 29 29 GLN NE2 N 112.98 0.3 . 282 30 30 ASN H H 7.479 0.02 . 283 30 30 ASN HA H 4.917 0.02 . 284 30 30 ASN HB2 H 2.791 0.02 . 285 30 30 ASN HB3 H 2.689 0.02 . 286 30 30 ASN HD21 H 6.901 0.02 . 287 30 30 ASN HD22 H 7.575 0.02 . 288 30 30 ASN C C 174.917 0.3 . 289 30 30 ASN CA C 53.801 0.3 . 290 30 30 ASN CB C 41.165 0.3 . 291 30 30 ASN N N 112.905 0.3 . 292 30 30 ASN ND2 N 113.807 0.3 . 293 31 31 ASP H H 8.492 0.02 . 294 31 31 ASP HA H 4.707 0.02 . 295 31 31 ASP HB2 H 2.812 0.02 . 296 31 31 ASP HB3 H 2.516 0.02 . 297 31 31 ASP C C 174.393 0.3 . 298 31 31 ASP CA C 53.475 0.3 . 299 31 31 ASP CB C 40.549 0.3 . 300 31 31 ASP N N 120.058 0.3 . 301 32 32 CYS H H 8.867 0.02 . 302 32 32 CYS HA H 3.904 0.02 . 303 32 32 CYS HB2 H 2.91 0.02 . 304 32 32 CYS HB3 H 2.817 0.02 . 305 32 32 CYS C C 175.858 0.3 . 306 32 32 CYS CA C 62.678 0.3 . 307 32 32 CYS CB C 26.321 0.3 . 308 32 32 CYS N N 125.237 0.3 . 309 33 33 ASN H H 8.42 0.02 . 310 33 33 ASN HA H 4.309 0.02 . 311 33 33 ASN HB2 H 2.832 0.02 . 312 33 33 ASN HB3 H 2.692 0.02 . 313 33 33 ASN HD21 H 6.88 0.02 . 314 33 33 ASN HD22 H 7.712 0.02 . 315 33 33 ASN C C 177.674 0.3 . 316 33 33 ASN CA C 56.862 0.3 . 317 33 33 ASN CB C 37.736 0.3 . 318 33 33 ASN N N 117.778 0.3 . 319 33 33 ASN ND2 N 112.975 0.3 . 320 34 34 SER H H 7.9 0.02 . 321 34 34 SER HA H 4.28 0.02 . 322 34 34 SER HB2 H 3.691 0.02 . 323 34 34 SER HB3 H 3.814 0.02 . 324 34 34 SER C C 176.727 0.3 . 325 34 34 SER CA C 61.643 0.3 . 326 34 34 SER CB C 62.385 0.3 . 327 34 34 SER N N 116.438 0.3 . 328 35 35 ALA H H 7.473 0.02 . 329 35 35 ALA HA H 3.917 0.02 . 330 35 35 ALA HB H 1.393 0.02 . 331 35 35 ALA C C 178.404 0.3 . 332 35 35 ALA CA C 55.61 0.3 . 333 35 35 ALA CB C 18.441 0.3 . 334 35 35 ALA N N 123.61 0.3 . 335 36 36 LEU H H 8.285 0.02 . 336 36 36 LEU HA H 3.853 0.02 . 337 36 36 LEU HB2 H 2.116 0.02 . 338 36 36 LEU HB3 H 1.293 0.02 . 339 36 36 LEU HG H 1.55 0.02 . 340 36 36 LEU C C 178.07 0.3 . 341 36 36 LEU CA C 58.215 0.3 . 342 36 36 LEU CB C 40.785 0.3 . 343 36 36 LEU N N 118.946 0.3 . 344 37 37 ASP H H 8.033 0.02 . 345 37 37 ASP HA H 4.288 0.02 . 346 37 37 ASP HB2 H 2.831 0.02 . 347 37 37 ASP HB3 H 2.648 0.02 . 348 37 37 ASP C C 179.38 0.3 . 349 37 37 ASP CA C 57.899 0.3 . 350 37 37 ASP CB C 40.483 0.3 . 351 37 37 ASP N N 118.36 0.3 . 352 38 38 GLN H H 7.702 0.02 . 353 38 38 GLN HA H 4.026 0.02 . 354 38 38 GLN HB2 H 2.086 0.02 . 355 38 38 GLN HG2 H 2.461 0.02 . 356 38 38 GLN C C 180.109 0.3 . 357 38 38 GLN CA C 59.108 0.3 . 358 38 38 GLN CB C 28.133 0.3 . 359 38 38 GLN CG C 33.802 0.3 . 360 38 38 GLN N N 117.344 0.3 . 361 39 39 LEU H H 8.216 0.02 . 362 39 39 LEU HA H 4.069 0.02 . 363 39 39 LEU HB2 H 1.259 0.02 . 364 39 39 LEU HB3 H 2.153 0.02 . 365 39 39 LEU HG H 1.852 0.02 . 366 39 39 LEU C C 178.881 0.3 . 367 39 39 LEU CA C 58.3 0.3 . 368 39 39 LEU CB C 41.717 0.3 . 369 39 39 LEU N N 121.898 0.3 . 370 40 40 LEU H H 8.71 0.02 . 371 40 40 LEU HA H 4.17 0.02 . 372 40 40 LEU HB2 H 1.384 0.02 . 373 40 40 LEU HB3 H 2.049 0.02 . 374 40 40 LEU HG H 1.769 0.02 . 375 40 40 LEU HD1 H 0.849 0.02 . 376 40 40 LEU HD2 H 0.65 0.02 . 377 40 40 LEU C C 181.323 0.3 . 378 40 40 LEU CA C 57.629 0.3 . 379 40 40 LEU CB C 40.584 0.3 . 380 40 40 LEU CG C 26.708 0.3 . 381 40 40 LEU CD1 C 25.506 0.3 . 382 40 40 LEU CD2 C 21.755 0.3 . 383 40 40 LEU N N 120.202 0.3 . 384 41 41 VAL H H 7.775 0.02 . 385 41 41 VAL HA H 3.737 0.02 . 386 41 41 VAL HB H 2.265 0.02 . 387 41 41 VAL HG1 H 0.902 0.02 . 388 41 41 VAL HG2 H 1.071 0.02 . 389 41 41 VAL C C 178.738 0.3 . 390 41 41 VAL CA C 67.017 0.3 . 391 41 41 VAL CB C 31.828 0.3 . 392 41 41 VAL CG1 C 21.242 0.3 . 393 41 41 VAL CG2 C 22.624 0.3 . 394 41 41 VAL N N 123.804 0.3 . 395 42 42 LEU H H 7.293 0.02 . 396 42 42 LEU HA H 3.879 0.02 . 397 42 42 LEU HB2 H 2.12 0.02 . 398 42 42 LEU HB3 H 1.251 0.02 . 399 42 42 LEU HG H 1.89 0.02 . 400 42 42 LEU HD1 H 0.889 0.02 . 401 42 42 LEU HD2 H 0.738 0.02 . 402 42 42 LEU C C 179.255 0.3 . 403 42 42 LEU CA C 57.756 0.3 . 404 42 42 LEU CB C 42.285 0.3 . 405 42 42 LEU CG C 26.684 0.3 . 406 42 42 LEU CD1 C 25.704 0.3 . 407 42 42 LEU CD2 C 22.44 0.3 . 408 42 42 LEU N N 118.902 0.3 . 409 43 43 GLU H H 9.13 0.02 . 410 43 43 GLU HA H 3.561 0.02 . 411 43 43 GLU HB2 H 1.754 0.02 . 412 43 43 GLU HB3 H 2.5 0.02 . 413 43 43 GLU HG2 H 2.251 0.02 . 414 43 43 GLU HG3 H 2.2 0.02 . 415 43 43 GLU C C 177.065 0.3 . 416 43 43 GLU CA C 61.278 0.3 . 417 43 43 GLU CB C 28.734 0.3 . 418 43 43 GLU CG C 37.73 0.3 . 419 43 43 GLU N N 123.434 0.3 . 420 44 44 LYS H H 7.245 0.02 . 421 44 44 LYS HA H 3.835 0.02 . 422 44 44 LYS HB2 H 1.97 0.02 . 423 44 44 LYS HE2 H 2.988 0.02 . 424 44 44 LYS C C 178.477 0.3 . 425 44 44 LYS CA C 59.863 0.3 . 426 44 44 LYS CB C 32.166 0.3 . 427 44 44 LYS N N 119.316 0.3 . 428 45 45 LYS H H 7.687 0.02 . 429 45 45 LYS HA H 3.935 0.02 . 430 45 45 LYS HB2 H 1.579 0.02 . 431 45 45 LYS HB3 H 1.427 0.02 . 432 45 45 LYS C C 180.101 0.3 . 433 45 45 LYS CA C 59.822 0.3 . 434 45 45 LYS CB C 32.148 0.3 . 435 45 45 LYS CG C 25.093 0.3 . 436 45 45 LYS N N 117.313 0.3 . 437 46 46 THR H H 8.105 0.02 . 438 46 46 THR HA H 3.635 0.02 . 439 46 46 THR HB H 4.026 0.02 . 440 46 46 THR HG2 H 0.911 0.02 . 441 46 46 THR C C 176.44 0.3 . 442 46 46 THR CA C 65.775 0.3 . 443 46 46 THR CB C 68.587 0.3 . 444 46 46 THR CG2 C 23.277 0.3 . 445 46 46 THR N N 109.606 0.3 . 446 47 47 ARG H H 8.024 0.02 . 447 47 47 ARG HA H 4.01 0.02 . 448 47 47 ARG HB2 H 2.083 0.02 . 449 47 47 ARG HB3 H 1.977 0.02 . 450 47 47 ARG C C 180.658 0.3 . 451 47 47 ARG CA C 59.645 0.3 . 452 47 47 ARG CB C 29.97 0.3 . 453 47 47 ARG N N 125.124 0.3 . 454 48 48 GLN H H 8.692 0.02 . 455 48 48 GLN HA H 4.047 0.02 . 456 48 48 GLN HB2 H 2.187 0.02 . 457 48 48 GLN HB3 H 2.055 0.02 . 458 48 48 GLN HG2 H 2.665 0.02 . 459 48 48 GLN HG3 H 2.397 0.02 . 460 48 48 GLN HE21 H 7.496 0.02 . 461 48 48 GLN HE22 H 6.84 0.02 . 462 48 48 GLN C C 177.545 0.3 . 463 48 48 GLN CA C 59.1 0.3 . 464 48 48 GLN CB C 28.258 0.3 . 465 48 48 GLN CG C 34.728 0.3 . 466 48 48 GLN N N 119.449 0.3 . 467 48 48 GLN NE2 N 111.549 0.3 . 468 49 49 ALA H H 7.321 0.02 . 469 49 49 ALA HA H 4.537 0.02 . 470 49 49 ALA HB H 1.72 0.02 . 471 49 49 ALA C C 176.153 0.3 . 472 49 49 ALA CA C 51.962 0.3 . 473 49 49 ALA CB C 20.112 0.3 . 474 49 49 ALA N N 118.674 0.3 . 475 50 50 SER H H 7.96 0.02 . 476 50 50 SER HA H 3.843 0.02 . 477 50 50 SER HB2 H 4.037 0.02 . 478 50 50 SER HB3 H 4.174 0.02 . 479 50 50 SER C C 173.537 0.3 . 480 50 50 SER CA C 59.111 0.3 . 481 50 50 SER CB C 62.001 0.3 . 482 50 50 SER N N 113.121 0.3 . 483 51 51 ASP H H 8.146 0.02 . 484 51 51 ASP HA H 4.797 0.02 . 485 51 51 ASP HB2 H 2.872 0.02 . 486 51 51 ASP C C 175.224 0.3 . 487 51 51 ASP CA C 51.774 0.3 . 488 51 51 ASP CB C 39.578 0.3 . 489 51 51 ASP N N 117.629 0.3 . 490 52 52 LEU H H 7.632 0.02 . 491 52 52 LEU HA H 3.903 0.02 . 492 52 52 LEU HB2 H 1.799 0.02 . 493 52 52 LEU HB3 H 1.563 0.02 . 494 52 52 LEU HG H 1.431 0.02 . 495 52 52 LEU HD1 H 0.934 0.02 . 496 52 52 LEU HD2 H 0.912 0.02 . 497 52 52 LEU C C 177.41 0.3 . 498 52 52 LEU CA C 58.406 0.3 . 499 52 52 LEU CB C 42.185 0.3 . 500 52 52 LEU CG C 27.257 0.3 . 501 52 52 LEU CD1 C 26.051 0.3 . 502 52 52 LEU CD2 C 24.674 0.3 . 503 52 52 LEU N N 125.711 0.3 . 504 53 53 ALA H H 8.446 0.02 . 505 53 53 ALA HA H 3.878 0.02 . 506 53 53 ALA HB H 1.43 0.02 . 507 53 53 ALA C C 181.141 0.3 . 508 53 53 ALA CA C 55.677 0.3 . 509 53 53 ALA CB C 18.213 0.3 . 510 53 53 ALA N N 119.163 0.3 . 511 54 54 SER H H 7.527 0.02 . 512 54 54 SER HA H 4.232 0.02 . 513 54 54 SER HB2 H 3.907 0.02 . 514 54 54 SER HB3 H 4.008 0.02 . 515 54 54 SER CA C 61.258 0.3 . 516 54 54 SER CB C 62.209 0.3 . 517 54 54 SER N N 113.07 0.3 . 518 55 55 SER H H 8.563 0.02 . 519 55 55 SER HA H 4.007 0.02 . 520 55 55 SER HB2 H 4.208 0.02 . 521 55 55 SER C C 176.842 0.3 . 522 55 55 SER CA C 62.114 0.3 . 523 55 55 SER N N 119.079 0.3 . 524 56 56 LYS H H 8.368 0.02 . 525 56 56 LYS HA H 3.847 0.02 . 526 56 56 LYS HB2 H 2.19 0.02 . 527 56 56 LYS HB3 H 1.748 0.02 . 528 56 56 LYS C C 178.437 0.3 . 529 56 56 LYS CA C 61.136 0.3 . 530 56 56 LYS CB C 32.582 0.3 . 531 56 56 LYS N N 116.931 0.3 . 532 57 57 GLU H H 7.027 0.02 . 533 57 57 GLU HA H 4.265 0.02 . 534 57 57 GLU HB2 H 2.289 0.02 . 535 57 57 GLU HG2 H 2.42 0.02 . 536 57 57 GLU HG3 H 2.503 0.02 . 537 57 57 GLU C C 180.466 0.3 . 538 57 57 GLU CA C 59.182 0.3 . 539 57 57 GLU CB C 30.071 0.3 . 540 57 57 GLU CG C 35.957 0.3 . 541 57 57 GLU N N 114.666 0.3 . 542 58 58 VAL H H 8.508 0.02 . 543 58 58 VAL HA H 3.658 0.02 . 544 58 58 VAL HB H 2.33 0.02 . 545 58 58 VAL HG1 H 0.91 0.02 . 546 58 58 VAL HG2 H 1.124 0.02 . 547 58 58 VAL C C 177.667 0.3 . 548 58 58 VAL CA C 67.707 0.3 . 549 58 58 VAL CB C 31.524 0.3 . 550 58 58 VAL CG1 C 22.549 0.3 . 551 58 58 VAL CG2 C 24.949 0.3 . 552 58 58 VAL N N 121.297 0.3 . 553 59 59 LEU H H 8.974 0.02 . 554 59 59 LEU HA H 3.928 0.02 . 555 59 59 LEU HB2 H 1.455 0.02 . 556 59 59 LEU HB3 H 1.894 0.02 . 557 59 59 LEU HG H 2.111 0.02 . 558 59 59 LEU HD1 H 0.827 0.02 . 559 59 59 LEU HD2 H 0.843 0.02 . 560 59 59 LEU C C 180.132 0.3 . 561 59 59 LEU CA C 59.011 0.3 . 562 59 59 LEU CB C 39.677 0.3 . 563 59 59 LEU CG C 26.805 0.3 . 564 59 59 LEU CD1 C 26.324 0.3 . 565 59 59 LEU CD2 C 24.122 0.3 . 566 59 59 LEU N N 118.928 0.3 . 567 60 60 ALA H H 8.511 0.02 . 568 60 60 ALA HA H 3.813 0.02 . 569 60 60 ALA HB H 1.659 0.02 . 570 60 60 ALA C C 179.159 0.3 . 571 60 60 ALA CA C 55.687 0.3 . 572 60 60 ALA CB C 18.974 0.3 . 573 60 60 ALA N N 119.366 0.3 . 574 61 61 LYS H H 7.84 0.02 . 575 61 61 LYS HA H 4.02 0.02 . 576 61 61 LYS HB2 H 1.823 0.02 . 577 61 61 LYS HB3 H 1.687 0.02 . 578 61 61 LYS HG2 H 0.735 0.02 . 579 61 61 LYS HG3 H 0.982 0.02 . 580 61 61 LYS HD2 H 1.088 0.02 . 581 61 61 LYS HD3 H 0.919 0.02 . 582 61 61 LYS HE2 H 2.211 0.02 . 583 61 61 LYS HE3 H 2.142 0.02 . 584 61 61 LYS C C 178.848 0.3 . 585 61 61 LYS CA C 58.123 0.3 . 586 61 61 LYS CB C 31.261 0.3 . 587 61 61 LYS CG C 24.924 0.3 . 588 61 61 LYS CD C 27.522 0.3 . 589 61 61 LYS CE C 41.265 0.3 . 590 61 61 LYS N N 119.838 0.3 . 591 62 62 ILE H H 8.077 0.02 . 592 62 62 ILE HA H 3.285 0.02 . 593 62 62 ILE HB H 2.047 0.02 . 594 62 62 ILE HG12 H 1.99 0.02 . 595 62 62 ILE HG2 H 0.54 0.02 . 596 62 62 ILE HD1 H 0.66 0.02 . 597 62 62 ILE C C 176.871 0.3 . 598 62 62 ILE CA C 66.716 0.3 . 599 62 62 ILE CB C 37.594 0.3 . 600 62 62 ILE CG1 C 31.175 0.3 . 601 62 62 ILE CG2 C 15.914 0.3 . 602 62 62 ILE CD1 C 13.768 0.3 . 603 62 62 ILE N N 120.941 0.3 . 604 63 63 VAL H H 7.536 0.02 . 605 63 63 VAL HA H 3.168 0.02 . 606 63 63 VAL HB H 2.167 0.02 . 607 63 63 VAL HG1 H 0.592 0.02 . 608 63 63 VAL HG2 H 1.028 0.02 . 609 63 63 VAL C C 176.853 0.3 . 610 63 63 VAL CA C 66.998 0.3 . 611 63 63 VAL CB C 31.096 0.3 . 612 63 63 VAL CG1 C 21.628 0.3 . 613 63 63 VAL CG2 C 24.297 0.3 . 614 63 63 VAL N N 117.465 0.3 . 615 64 64 ASP H H 8.172 0.02 . 616 64 64 ASP HA H 3.946 0.02 . 617 64 64 ASP HB2 H 2.694 0.02 . 618 64 64 ASP HB3 H 2.559 0.02 . 619 64 64 ASP C C 178.484 0.3 . 620 64 64 ASP CA C 57.864 0.3 . 621 64 64 ASP CB C 41.844 0.3 . 622 64 64 ASP N N 117.431 0.3 . 623 65 65 LEU H H 8.316 0.02 . 624 65 65 LEU HA H 3.63 0.02 . 625 65 65 LEU HB2 H 1.71 0.02 . 626 65 65 LEU HB3 H 1.436 0.02 . 627 65 65 LEU HG H 0.731 0.02 . 628 65 65 LEU HD1 H 0.725 0.02 . 629 65 65 LEU C C 177.876 0.3 . 630 65 65 LEU CA C 58.031 0.3 . 631 65 65 LEU CB C 42.583 0.3 . 632 65 65 LEU CG C 26.651 0.3 . 633 65 65 LEU CD1 C 24.638 0.3 . 634 65 65 LEU N N 120.02 0.3 . 635 66 66 LEU H H 7.367 0.02 . 636 66 66 LEU HA H 3.884 0.02 . 637 66 66 LEU HB2 H 1.254 0.02 . 638 66 66 LEU HB3 H 1.409 0.02 . 639 66 66 LEU HD1 H 0.536 0.02 . 640 66 66 LEU C C 179.068 0.3 . 641 66 66 LEU CA C 56.675 0.3 . 642 66 66 LEU CB C 42.194 0.3 . 643 66 66 LEU N N 112.998 0.3 . 644 67 67 ALA H H 9.091 0.02 . 645 67 67 ALA HA H 2.443 0.02 . 646 67 67 ALA HB H 0.252 0.02 . 647 67 67 ALA C C 181.628 0.3 . 648 67 67 ALA CA C 55.161 0.3 . 649 67 67 ALA CB C 17.426 0.3 . 650 67 67 ALA N N 122.58 0.3 . 651 68 68 SER H H 7.396 0.02 . 652 68 68 SER HA H 4.107 0.02 . 653 68 68 SER C C 175.103 0.3 . 654 68 68 SER CA C 61.567 0.3 . 655 68 68 SER CB C 62.725 0.3 . 656 68 68 SER N N 111.168 0.3 . 657 69 69 ARG H H 6.367 0.02 . 658 69 69 ARG HA H 4.364 0.02 . 659 69 69 ARG HB2 H 2.102 0.02 . 660 69 69 ARG HB3 H 1.237 0.02 . 661 69 69 ARG HD2 H 3.905 0.02 . 662 69 69 ARG C C 174.66 0.3 . 663 69 69 ARG CA C 55.087 0.3 . 664 69 69 ARG CB C 30.551 0.3 . 665 69 69 ARG CD C 45.4 0.3 . 666 69 69 ARG N N 119.248 0.3 . 667 70 70 ASN H H 7.727 0.02 . 668 70 70 ASN HA H 3.815 0.02 . 669 70 70 ASN HB2 H 3.323 0.02 . 670 70 70 ASN HB3 H 2.928 0.02 . 671 70 70 ASN HD21 H 6.941 0.02 . 672 70 70 ASN HD22 H 7.674 0.02 . 673 70 70 ASN C C 175.068 0.3 . 674 70 70 ASN CA C 54.764 0.3 . 675 70 70 ASN CB C 37.442 0.3 . 676 70 70 ASN N N 114.729 0.3 . 677 70 70 ASN ND2 N 114.355 0.3 . 678 71 71 LYS H H 7.812 0.02 . 679 71 71 LYS HA H 4.631 0.02 . 680 71 71 LYS HB2 H 1.974 0.02 . 681 71 71 LYS HB3 H 1.438 0.02 . 682 71 71 LYS HG2 H 1.266 0.02 . 683 71 71 LYS HD2 H 1.56 0.02 . 684 71 71 LYS HE2 H 3.06 0.02 . 685 71 71 LYS C C 177.189 0.3 . 686 71 71 LYS CA C 54.243 0.3 . 687 71 71 LYS CB C 29.629 0.3 . 688 71 71 LYS CG C 24.029 0.3 . 689 71 71 LYS CD C 29.276 0.3 . 690 71 71 LYS CE C 42 0.3 . 691 71 71 LYS N N 120.991 0.3 . 692 72 72 TRP H H 7.048 0.02 . 693 72 72 TRP HA H 3.904 0.02 . 694 72 72 TRP HB2 H 3.012 0.02 . 695 72 72 TRP HB3 H 2.878 0.02 . 696 72 72 TRP HD1 H 7.209 0.02 . 697 72 72 TRP HE1 H 10.198 0.02 . 698 72 72 TRP C C 177.849 0.3 . 699 72 72 TRP CA C 60.216 0.3 . 700 72 72 TRP CB C 29.311 0.3 . 701 72 72 TRP N N 120.098 0.3 . 702 72 72 TRP NE1 N 129.26 0.3 . 703 73 73 ASP H H 8.454 0.02 . 704 73 73 ASP HA H 4.512 0.02 . 705 73 73 ASP HB2 H 2.686 0.02 . 706 73 73 ASP C C 179.519 0.3 . 707 73 73 ASP CA C 57.733 0.3 . 708 73 73 ASP CB C 39.75 0.3 . 709 73 73 ASP N N 118.418 0.3 . 710 74 74 ASP H H 8.067 0.02 . 711 74 74 ASP HA H 4.353 0.02 . 712 74 74 ASP HB2 H 2.588 0.02 . 713 74 74 ASP HB3 H 2.461 0.02 . 714 74 74 ASP C C 178.179 0.3 . 715 74 74 ASP CA C 57.249 0.3 . 716 74 74 ASP CB C 40.785 0.3 . 717 74 74 ASP N N 120.716 0.3 . 718 75 75 LEU H H 8.121 0.02 . 719 75 75 LEU HA H 3.78 0.02 . 720 75 75 LEU HB2 H 2.05 0.02 . 721 75 75 LEU HB3 H 1.108 0.02 . 722 75 75 LEU HG H 0.852 0.02 . 723 75 75 LEU HD1 H 0.793 0.02 . 724 75 75 LEU C C 177.498 0.3 . 725 75 75 LEU CA C 58.215 0.3 . 726 75 75 LEU CB C 40.915 0.3 . 727 75 75 LEU CG C 26.73 0.3 . 728 75 75 LEU CD1 C 24.073 0.3 . 729 75 75 LEU N N 122.004 0.3 . 730 76 76 ASN H H 8.672 0.02 . 731 76 76 ASN HA H 4.527 0.02 . 732 76 76 ASN HB2 H 2.996 0.02 . 733 76 76 ASN HB3 H 2.826 0.02 . 734 76 76 ASN C C 178.725 0.3 . 735 76 76 ASN CA C 56.126 0.3 . 736 76 76 ASN CB C 37.766 0.3 . 737 76 76 ASN N N 120.121 0.3 . 738 77 77 GLU H H 7.846 0.02 . 739 77 77 GLU HA H 4.04 0.02 . 740 77 77 GLU HB2 H 2.095 0.02 . 741 77 77 GLU HB3 H 2.202 0.02 . 742 77 77 GLU HG2 H 2.143 0.02 . 743 77 77 GLU HG3 H 2.235 0.02 . 744 77 77 GLU C C 178.69 0.3 . 745 77 77 GLU CA C 59.613 0.3 . 746 77 77 GLU CB C 29.306 0.3 . 747 77 77 GLU CG C 36.048 0.3 . 748 77 77 GLU N N 120.835 0.3 . 749 78 78 GLN H H 8.358 0.02 . 750 78 78 GLN HA H 4.005 0.02 . 751 78 78 GLN HB2 H 2.12 0.02 . 752 78 78 GLN HB3 H 1.765 0.02 . 753 78 78 GLN HG2 H 2.616 0.02 . 754 78 78 GLN HG3 H 1.85 0.02 . 755 78 78 GLN C C 178.444 0.3 . 756 78 78 GLN CA C 58.146 0.3 . 757 78 78 GLN CB C 26.986 0.3 . 758 78 78 GLN CG C 33.14 0.3 . 759 78 78 GLN N N 116.995 0.3 . 760 79 79 LEU H H 8.823 0.02 . 761 79 79 LEU HA H 3.89 0.02 . 762 79 79 LEU HB2 H 1.778 0.02 . 763 79 79 LEU HB3 H 1.578 0.02 . 764 79 79 LEU HG H 1.68 0.02 . 765 79 79 LEU HD1 H 0.934 0.02 . 766 79 79 LEU HD2 H 0.816 0.02 . 767 79 79 LEU C C 178.73 0.3 . 768 79 79 LEU CA C 59.082 0.3 . 769 79 79 LEU CB C 42.267 0.3 . 770 79 79 LEU CG C 27.476 0.3 . 771 79 79 LEU CD1 C 24.65 0.3 . 772 79 79 LEU CD2 C 24.919 0.3 . 773 79 79 LEU N N 120.091 0.3 . 774 80 80 THR H H 7.576 0.02 . 775 80 80 THR HA H 3.61 0.02 . 776 80 80 THR HB H 4.305 0.02 . 777 80 80 THR HG2 H 1.129 0.02 . 778 80 80 THR C C 176.916 0.3 . 779 80 80 THR CA C 67.091 0.3 . 780 80 80 THR CB C 68.519 0.3 . 781 80 80 THR CG2 C 21.252 0.3 . 782 80 80 THR N N 113.707 0.3 . 783 81 81 LEU H H 8.657 0.02 . 784 81 81 LEU HA H 3.909 0.02 . 785 81 81 LEU HB2 H 1.768 0.02 . 786 81 81 LEU HB3 H 1.333 0.02 . 787 81 81 LEU HG H 1.802 0.02 . 788 81 81 LEU HD1 H 0.78 0.02 . 789 81 81 LEU HD2 H 0.799 0.02 . 790 81 81 LEU C C 181.739 0.3 . 791 81 81 LEU CA C 58.128 0.3 . 792 81 81 LEU CB C 42.614 0.3 . 793 81 81 LEU CG C 26.257 0.3 . 794 81 81 LEU CD1 C 25.812 0.3 . 795 81 81 LEU CD2 C 22.439 0.3 . 796 81 81 LEU N N 121.017 0.3 . 797 82 82 LEU H H 9.385 0.02 . 798 82 82 LEU HA H 4.03 0.02 . 799 82 82 LEU HB2 H 1.888 0.02 . 800 82 82 LEU HB3 H 0.89 0.02 . 801 82 82 LEU HG H 2.01 0.02 . 802 82 82 LEU C C 181.077 0.3 . 803 82 82 LEU CA C 57.733 0.3 . 804 82 82 LEU CB C 40.836 0.3 . 805 82 82 LEU CG C 30.266 0.3 . 806 82 82 LEU N N 118.311 0.3 . 807 83 83 SER H H 7.786 0.02 . 808 83 83 SER HA H 4.008 0.02 . 809 83 83 SER HB2 H 3.959 0.02 . 810 83 83 SER C C 174.337 0.3 . 811 83 83 SER CA C 61.767 0.3 . 812 83 83 SER CB C 62.934 0.3 . 813 83 83 SER N N 114.055 0.3 . 814 84 84 LYS H H 6.881 0.02 . 815 84 84 LYS HA H 4.428 0.02 . 816 84 84 LYS HB2 H 2.05 0.02 . 817 84 84 LYS HB3 H 1.657 0.02 . 818 84 84 LYS HG2 H 1.426 0.02 . 819 84 84 LYS HG3 H 1.626 0.02 . 820 84 84 LYS HD2 H 1.641 0.02 . 821 84 84 LYS HE2 H 2.935 0.02 . 822 84 84 LYS C C 176.658 0.3 . 823 84 84 LYS CA C 55.886 0.3 . 824 84 84 LYS CB C 33.622 0.3 . 825 84 84 LYS CG C 25.025 0.3 . 826 84 84 LYS CD C 29.319 0.3 . 827 84 84 LYS CE C 42.165 0.3 . 828 84 84 LYS N N 118.235 0.3 . 829 85 85 LYS H H 6.88 0.02 . 830 85 85 LYS HA H 4.181 0.02 . 831 85 85 LYS HB2 H 1.789 0.02 . 832 85 85 LYS HB3 H 1.586 0.02 . 833 85 85 LYS C C 177.701 0.3 . 834 85 85 LYS CA C 54.98 0.3 . 835 85 85 LYS CB C 33.836 0.3 . 836 85 85 LYS N N 118.235 0.3 . 837 86 86 HIS H H 9.445 0.02 . 838 86 86 HIS HA H 4.384 0.02 . 839 86 86 HIS HB2 H 3.234 0.02 . 840 86 86 HIS HB3 H 3.163 0.02 . 841 86 86 HIS C C 176.976 0.3 . 842 86 86 HIS CA C 57.548 0.3 . 843 86 86 HIS CB C 28.703 0.3 . 844 86 86 HIS N N 123.188 0.3 . 845 87 87 GLY H H 9.11 0.02 . 846 87 87 GLY HA2 H 3.843 0.02 . 847 87 87 GLY HA3 H 3.586 0.02 . 848 87 87 GLY C C 174.088 0.3 . 849 87 87 GLY CA C 45.252 0.3 . 850 87 87 GLY N N 115.322 0.3 . 851 88 88 GLN H H 7.25 0.02 . 852 88 88 GLN HA H 3.932 0.02 . 853 88 88 GLN HB2 H 1.995 0.02 . 854 88 88 GLN C C 175.054 0.3 . 855 88 88 GLN CA C 55.558 0.3 . 856 88 88 GLN CB C 30.355 0.3 . 857 88 88 GLN CG C 36.202 0.3 . 858 88 88 GLN N N 117.502 0.3 . 859 89 89 LEU H H 9.124 0.02 . 860 89 89 LEU HA H 4.457 0.02 . 861 89 89 LEU HB2 H 2.015 0.02 . 862 89 89 LEU HB3 H 1.536 0.02 . 863 89 89 LEU HG H 1.871 0.02 . 864 89 89 LEU HD1 H 0.976 0.02 . 865 89 89 LEU HD2 H 0.943 0.02 . 866 89 89 LEU C C 177.607 0.3 . 867 89 89 LEU CA C 54.255 0.3 . 868 89 89 LEU CB C 41.163 0.3 . 869 89 89 LEU CG C 27.25 0.3 . 870 89 89 LEU CD1 C 25.794 0.3 . 871 89 89 LEU CD2 C 24.004 0.3 . 872 89 89 LEU N N 129.983 0.3 . 873 90 90 LYS H H 8.859 0.02 . 874 90 90 LYS HA H 3.718 0.02 . 875 90 90 LYS HB2 H 1.831 0.02 . 876 90 90 LYS HB3 H 1.747 0.02 . 877 90 90 LYS HG2 H 1.398 0.02 . 878 90 90 LYS HG3 H 1.283 0.02 . 879 90 90 LYS HD2 H 1.642 0.02 . 880 90 90 LYS HD3 H 1.554 0.02 . 881 90 90 LYS HE2 H 2.903 0.02 . 882 90 90 LYS C C 179.008 0.3 . 883 90 90 LYS CA C 60.322 0.3 . 884 90 90 LYS CB C 32.122 0.3 . 885 90 90 LYS CG C 25.119 0.3 . 886 90 90 LYS CD C 29.266 0.3 . 887 90 90 LYS CE C 42.159 0.3 . 888 90 90 LYS N N 128.061 0.3 . 889 91 91 LEU H H 8.768 0.02 . 890 91 91 LEU HA H 4.092 0.02 . 891 91 91 LEU HB2 H 1.738 0.02 . 892 91 91 LEU HB3 H 1.48 0.02 . 893 91 91 LEU HG H 1.738 0.02 . 894 91 91 LEU HD1 H 0.887 0.02 . 895 91 91 LEU HD2 H 0.939 0.02 . 896 91 91 LEU C C 179.995 0.3 . 897 91 91 LEU CA C 57.649 0.3 . 898 91 91 LEU CB C 41.936 0.3 . 899 91 91 LEU CG C 27.966 0.3 . 900 91 91 LEU CD1 C 22.851 0.3 . 901 91 91 LEU CD2 C 25.123 0.3 . 902 91 91 LEU N N 115.881 0.3 . 903 92 92 SER H H 7.215 0.02 . 904 92 92 SER HA H 4.197 0.02 . 905 92 92 SER HB2 H 3.858 0.02 . 906 92 92 SER C C 176.413 0.3 . 907 92 92 SER CA C 61.624 0.3 . 908 92 92 SER CB C 62.638 0.3 . 909 92 92 SER N N 116.912 0.3 . 910 93 93 ILE H H 7.278 0.02 . 911 93 93 ILE HA H 3.687 0.02 . 912 93 93 ILE HB H 2.05 0.02 . 913 93 93 ILE HG12 H 1.357 0.02 . 914 93 93 ILE HG13 H 1.294 0.02 . 915 93 93 ILE HG2 H 0.77 0.02 . 916 93 93 ILE HD1 H 0.547 0.02 . 917 93 93 ILE C C 177.987 0.3 . 918 93 93 ILE CA C 61.735 0.3 . 919 93 93 ILE CB C 35.6 0.3 . 920 93 93 ILE CG1 C 27.825 0.3 . 921 93 93 ILE CG2 C 16.988 0.3 . 922 93 93 ILE CD1 C 8.83 0.3 . 923 93 93 ILE N N 121.101 0.3 . 924 94 94 GLN H H 8.345 0.02 . 925 94 94 GLN HA H 3.84 0.02 . 926 94 94 GLN HB2 H 2.113 0.02 . 927 94 94 GLN HG2 H 2.462 0.02 . 928 94 94 GLN HG3 H 2.296 0.02 . 929 94 94 GLN HE21 H 6.734 0.02 . 930 94 94 GLN HE22 H 7.384 0.02 . 931 94 94 GLN C C 178.097 0.3 . 932 94 94 GLN CA C 59.896 0.3 . 933 94 94 GLN CB C 28.613 0.3 . 934 94 94 GLN CG C 34.389 0.3 . 935 94 94 GLN N N 118.48 0.3 . 936 94 94 GLN NE2 N 110.442 0.3 . 937 95 95 TYR H H 7.58 0.02 . 938 95 95 TYR HA H 4.363 0.02 . 939 95 95 TYR HB2 H 3.276 0.02 . 940 95 95 TYR HB3 H 3.217 0.02 . 941 95 95 TYR C C 176.81 0.3 . 942 95 95 TYR CA C 61.222 0.3 . 943 95 95 TYR CB C 38.95 0.3 . 944 95 95 TYR N N 120.915 0.3 . 945 96 96 MET H H 8.503 0.02 . 946 96 96 MET HA H 3.482 0.02 . 947 96 96 MET HB2 H 2.256 0.02 . 948 96 96 MET HB3 H 2.075 0.02 . 949 96 96 MET C C 178.032 0.3 . 950 96 96 MET CA C 60.742 0.3 . 951 96 96 MET CB C 32.294 0.3 . 952 96 96 MET N N 119.88 0.3 . 953 97 97 ILE H H 8.43 0.02 . 954 97 97 ILE HA H 3.366 0.02 . 955 97 97 ILE HB H 1.956 0.02 . 956 97 97 ILE HG12 H 1.783 0.02 . 957 97 97 ILE HG2 H 0.844 0.02 . 958 97 97 ILE HD1 H 0.742 0.02 . 959 97 97 ILE C C 177.347 0.3 . 960 97 97 ILE CA C 65.948 0.3 . 961 97 97 ILE CB C 37.754 0.3 . 962 97 97 ILE CG1 C 30.458 0.3 . 963 97 97 ILE CG2 C 18.05 0.3 . 964 97 97 ILE CD1 C 13.941 0.3 . 965 97 97 ILE N N 117.679 0.3 . 966 98 98 GLN H H 7.966 0.02 . 967 98 98 GLN HA H 3.926 0.02 . 968 98 98 GLN HB2 H 2.126 0.02 . 969 98 98 GLN HB3 H 2.268 0.02 . 970 98 98 GLN HG2 H 2.474 0.02 . 971 98 98 GLN HG3 H 2.284 0.02 . 972 98 98 GLN HE21 H 6.82 0.02 . 973 98 98 GLN HE22 H 7.521 0.02 . 974 98 98 GLN C C 179.34 0.3 . 975 98 98 GLN CA C 59.616 0.3 . 976 98 98 GLN CB C 27.989 0.3 . 977 98 98 GLN CG C 33.832 0.3 . 978 98 98 GLN N N 120.429 0.3 . 979 98 98 GLN NE2 N 111.232 0.3 . 980 99 99 LYS H H 8 0.02 . 981 99 99 LYS HA H 4.039 0.02 . 982 99 99 LYS HB2 H 1.787 0.02 . 983 99 99 LYS HB3 H 1.998 0.02 . 984 99 99 LYS HG2 H 1.148 0.02 . 985 99 99 LYS HG3 H 1.05 0.02 . 986 99 99 LYS HD2 H 1.5 0.02 . 987 99 99 LYS HD3 H 1.563 0.02 . 988 99 99 LYS HE2 H 2.779 0.02 . 989 99 99 LYS HE3 H 2.644 0.02 . 990 99 99 LYS C C 179.23 0.3 . 991 99 99 LYS CA C 57.439 0.3 . 992 99 99 LYS CB C 30.314 0.3 . 993 99 99 LYS CG C 23.64 0.3 . 994 99 99 LYS CD C 26.641 0.3 . 995 99 99 LYS CE C 41.928 0.3 . 996 99 99 LYS N N 118.495 0.3 . 997 100 100 VAL H H 8.527 0.02 . 998 100 100 VAL HA H 3.497 0.02 . 999 100 100 VAL HB H 2.412 0.02 . 1000 100 100 VAL HG1 H 1.026 0.02 . 1001 100 100 VAL HG2 H 1.174 0.02 . 1002 100 100 VAL C C 178.196 0.3 . 1003 100 100 VAL CA C 67.995 0.3 . 1004 100 100 VAL CB C 31.47 0.3 . 1005 100 100 VAL CG1 C 22.792 0.3 . 1006 100 100 VAL CG2 C 24.482 0.3 . 1007 100 100 VAL N N 121.176 0.3 . 1008 101 101 MET H H 8.511 0.02 . 1009 101 101 MET HA H 4.164 0.02 . 1010 101 101 MET HB2 H 2.264 0.02 . 1011 101 101 MET HB3 H 2.031 0.02 . 1012 101 101 MET HG2 H 2.503 0.02 . 1013 101 101 MET HG3 H 2.744 0.02 . 1014 101 101 MET C C 178.98 0.3 . 1015 101 101 MET CA C 58.159 0.3 . 1016 101 101 MET CB C 30.864 0.3 . 1017 101 101 MET CG C 32.403 0.3 . 1018 101 101 MET N N 116.772 0.3 . 1019 102 102 GLU H H 7.998 0.02 . 1020 102 102 GLU HA H 3.937 0.02 . 1021 102 102 GLU HB2 H 2.206 0.02 . 1022 102 102 GLU HB3 H 2 0.02 . 1023 102 102 GLU HG2 H 2.129 0.02 . 1024 102 102 GLU HG3 H 2.455 0.02 . 1025 102 102 GLU C C 179.948 0.3 . 1026 102 102 GLU CA C 59.686 0.3 . 1027 102 102 GLU CB C 29.41 0.3 . 1028 102 102 GLU CG C 36.176 0.3 . 1029 102 102 GLU N N 120.325 0.3 . 1030 103 103 TYR H H 7.975 0.02 . 1031 103 103 TYR HA H 4.21 0.02 . 1032 103 103 TYR HB2 H 3.138 0.02 . 1033 103 103 TYR HB3 H 3.084 0.02 . 1034 103 103 TYR C C 179.548 0.3 . 1035 103 103 TYR CA C 62.521 0.3 . 1036 103 103 TYR CB C 38.695 0.3 . 1037 103 103 TYR N N 119.298 0.3 . 1038 104 104 LEU H H 8.801 0.02 . 1039 104 104 LEU HA H 3.899 0.02 . 1040 104 104 LEU HB2 H 1.835 0.02 . 1041 104 104 LEU HB3 H 1.509 0.02 . 1042 104 104 LEU HG H 1.641 0.02 . 1043 104 104 LEU HD1 H 0.587 0.02 . 1044 104 104 LEU HD2 H 0.495 0.02 . 1045 104 104 LEU C C 179.441 0.3 . 1046 104 104 LEU CA C 58.343 0.3 . 1047 104 104 LEU CB C 42.246 0.3 . 1048 104 104 LEU CG C 26.881 0.3 . 1049 104 104 LEU CD1 C 25.184 0.3 . 1050 104 104 LEU CD2 C 24.012 0.3 . 1051 104 104 LEU N N 121.538 0.3 . 1052 105 105 LYS H H 7.91 0.02 . 1053 105 105 LYS HA H 4.046 0.02 . 1054 105 105 LYS HB2 H 1.871 0.02 . 1055 105 105 LYS HG2 H 1.516 0.02 . 1056 105 105 LYS HG3 H 1.401 0.02 . 1057 105 105 LYS HD2 H 1.639 0.02 . 1058 105 105 LYS HE2 H 2.939 0.02 . 1059 105 105 LYS C C 178.007 0.3 . 1060 105 105 LYS CA C 58.617 0.3 . 1061 105 105 LYS CB C 32.671 0.3 . 1062 105 105 LYS CG C 25.16 0.3 . 1063 105 105 LYS CD C 29.149 0.3 . 1064 105 105 LYS CE C 42.199 0.3 . 1065 105 105 LYS N N 117.335 0.3 . 1066 106 106 SER H H 7.552 0.02 . 1067 106 106 SER HA H 4.41 0.02 . 1068 106 106 SER HB2 H 3.922 0.02 . 1069 106 106 SER HB3 H 3.845 0.02 . 1070 106 106 SER C C 174.972 0.3 . 1071 106 106 SER CA C 59.08 0.3 . 1072 106 106 SER CB C 64.26 0.3 . 1073 106 106 SER N N 111.696 0.3 . 1074 107 107 SER H H 7.622 0.02 . 1075 107 107 SER HA H 4.538 0.02 . 1076 107 107 SER HB2 H 4.154 0.02 . 1077 107 107 SER HB3 H 3.956 0.02 . 1078 107 107 SER C C 175.795 0.3 . 1079 107 107 SER CA C 58.584 0.3 . 1080 107 107 SER CB C 63.376 0.3 . 1081 107 107 SER N N 117.47 0.3 . 1082 108 108 LYS H H 8.66 0.02 . 1083 108 108 LYS HA H 4.348 0.02 . 1084 108 108 LYS HB2 H 1.965 0.02 . 1085 108 108 LYS HB3 H 1.776 0.02 . 1086 108 108 LYS HG2 H 1.54 0.02 . 1087 108 108 LYS HG3 H 1.471 0.02 . 1088 108 108 LYS HD2 H 1.688 0.02 . 1089 108 108 LYS HE2 H 3.017 0.02 . 1090 108 108 LYS C C 177.31 0.3 . 1091 108 108 LYS CA C 56.973 0.3 . 1092 108 108 LYS CB C 32.746 0.3 . 1093 108 108 LYS CG C 24.966 0.3 . 1094 108 108 LYS CD C 28.764 0.3 . 1095 108 108 LYS CE C 42.165 0.3 . 1096 108 108 LYS N N 125.453 0.3 . 1097 109 109 SER H H 8.307 0.02 . 1098 109 109 SER HA H 4.486 0.02 . 1099 109 109 SER HB2 H 3.948 0.02 . 1100 109 109 SER HB3 H 3.873 0.02 . 1101 109 109 SER C C 173.996 0.3 . 1102 109 109 SER CA C 58.019 0.3 . 1103 109 109 SER CB C 63.831 0.3 . 1104 109 109 SER N N 113.374 0.3 . 1105 110 110 LEU H H 7.289 0.02 . 1106 110 110 LEU HA H 4.204 0.02 . 1107 110 110 LEU HB2 H 1.355 0.02 . 1108 110 110 LEU HG H 1.371 0.02 . 1109 110 110 LEU HD1 H 0.108 0.02 . 1110 110 110 LEU HD2 H 0.333 0.02 . 1111 110 110 LEU C C 176.508 0.3 . 1112 110 110 LEU CA C 55.296 0.3 . 1113 110 110 LEU CB C 43.223 0.3 . 1114 110 110 LEU CG C 26.06 0.3 . 1115 110 110 LEU CD1 C 24.919 0.3 . 1116 110 110 LEU CD2 C 24.14 0.3 . 1117 110 110 LEU N N 123.876 0.3 . 1118 111 111 ASP H H 8.341 0.02 . 1119 111 111 ASP HA H 4.486 0.02 . 1120 111 111 ASP HB2 H 2.885 0.02 . 1121 111 111 ASP HB3 H 2.697 0.02 . 1122 111 111 ASP C C 175.977 0.3 . 1123 111 111 ASP CA C 53.632 0.3 . 1124 111 111 ASP CB C 42.024 0.3 . 1125 111 111 ASP N N 125.324 0.3 . 1126 112 112 LEU H H 8.477 0.02 . 1127 112 112 LEU HA H 3.941 0.02 . 1128 112 112 LEU HB2 H 1.586 0.02 . 1129 112 112 LEU HB3 H 1.633 0.02 . 1130 112 112 LEU HG H 1.58 0.02 . 1131 112 112 LEU HD1 H 0.862 0.02 . 1132 112 112 LEU HD2 H 0.887 0.02 . 1133 112 112 LEU C C 178.226 0.3 . 1134 112 112 LEU CA C 58.517 0.3 . 1135 112 112 LEU CB C 42.003 0.3 . 1136 112 112 LEU CG C 26.766 0.3 . 1137 112 112 LEU CD1 C 24.974 0.3 . 1138 112 112 LEU CD2 C 23.678 0.3 . 1139 112 112 LEU N N 123.482 0.3 . 1140 113 113 ASN H H 8.377 0.02 . 1141 113 113 ASN HA H 4.307 0.02 . 1142 113 113 ASN HB2 H 2.696 0.02 . 1143 113 113 ASN HB3 H 2.795 0.02 . 1144 113 113 ASN HD21 H 6.877 0.02 . 1145 113 113 ASN HD22 H 7.714 0.02 . 1146 113 113 ASN C C 178.727 0.3 . 1147 113 113 ASN CA C 56.605 0.3 . 1148 113 113 ASN CB C 37.649 0.3 . 1149 113 113 ASN N N 115.434 0.3 . 1150 113 113 ASN ND2 N 113.041 0.3 . 1151 114 114 THR H H 8.073 0.02 . 1152 114 114 THR HA H 3.785 0.02 . 1153 114 114 THR HB H 3.86 0.02 . 1154 114 114 THR HG2 H 0.839 0.02 . 1155 114 114 THR C C 176.387 0.3 . 1156 114 114 THR CA C 66.664 0.3 . 1157 114 114 THR CB C 67.401 0.3 . 1158 114 114 THR CG2 C 22.221 0.3 . 1159 114 114 THR N N 119.228 0.3 . 1160 115 115 ARG H H 8.068 0.02 . 1161 115 115 ARG HA H 3.36 0.02 . 1162 115 115 ARG HB2 H 1.848 0.02 . 1163 115 115 ARG HB3 H 1.651 0.02 . 1164 115 115 ARG HG2 H 1.318 0.02 . 1165 115 115 ARG HG3 H 1.394 0.02 . 1166 115 115 ARG HD2 H 2.97 0.02 . 1167 115 115 ARG HD3 H 3.203 0.02 . 1168 115 115 ARG HE H 7.381 0.02 . 1169 115 115 ARG HH21 H 6.67 0.02 . 1170 115 115 ARG C C 177.612 0.3 . 1171 115 115 ARG CA C 60.967 0.3 . 1172 115 115 ARG CB C 30.389 0.3 . 1173 115 115 ARG CG C 27.651 0.3 . 1174 115 115 ARG CD C 43.334 0.3 . 1175 115 115 ARG N N 122.976 0.3 . 1176 115 115 ARG NE N 86.58 0.3 . 1177 116 116 ILE H H 8.414 0.02 . 1178 116 116 ILE HA H 3.572 0.02 . 1179 116 116 ILE HB H 1.872 0.02 . 1180 116 116 ILE HG12 H 1.147 0.02 . 1181 116 116 ILE HG13 H 1.66 0.02 . 1182 116 116 ILE HG2 H 0.862 0.02 . 1183 116 116 ILE HD1 H 0.784 0.02 . 1184 116 116 ILE C C 177.914 0.3 . 1185 116 116 ILE CA C 64.983 0.3 . 1186 116 116 ILE CB C 37.707 0.3 . 1187 116 116 ILE CG1 C 29.145 0.3 . 1188 116 116 ILE CG2 C 17.305 0.3 . 1189 116 116 ILE CD1 C 12.811 0.3 . 1190 116 116 ILE N N 117.133 0.3 . 1191 117 117 SER H H 7.678 0.02 . 1192 117 117 SER HA H 4.248 0.02 . 1193 117 117 SER HB2 H 3.97 0.02 . 1194 117 117 SER HB3 H 3.996 0.02 . 1195 117 117 SER C C 176.976 0.3 . 1196 117 117 SER CA C 61.812 0.3 . 1197 117 117 SER CB C 62.782 0.3 . 1198 117 117 SER N N 116.011 0.3 . 1199 118 118 VAL H H 7.824 0.02 . 1200 118 118 VAL HA H 4.398 0.02 . 1201 118 118 VAL HB H 2.034 0.02 . 1202 118 118 VAL HG1 H 0.953 0.02 . 1203 118 118 VAL HG2 H 1.095 0.02 . 1204 118 118 VAL C C 178.134 0.3 . 1205 118 118 VAL CA C 65.156 0.3 . 1206 118 118 VAL CB C 32.091 0.3 . 1207 118 118 VAL CG1 C 22.127 0.3 . 1208 118 118 VAL CG2 C 21.615 0.3 . 1209 118 118 VAL N N 126.141 0.3 . 1210 119 119 ILE H H 8 0.02 . 1211 119 119 ILE HA H 3.5 0.02 . 1212 119 119 ILE HB H 1.936 0.02 . 1213 119 119 ILE HG12 H 1.073 0.02 . 1214 119 119 ILE HG13 H 1.551 0.02 . 1215 119 119 ILE HG2 H 0.835 0.02 . 1216 119 119 ILE HD1 H 0.672 0.02 . 1217 119 119 ILE C C 178.925 0.3 . 1218 119 119 ILE CA C 65.147 0.3 . 1219 119 119 ILE CB C 37.14 0.3 . 1220 119 119 ILE CG1 C 29.159 0.3 . 1221 119 119 ILE CG2 C 17.271 0.3 . 1222 119 119 ILE CD1 C 12.312 0.3 . 1223 119 119 ILE N N 120.623 0.3 . 1224 120 120 GLU H H 8.781 0.02 . 1225 120 120 GLU HA H 4.176 0.02 . 1226 120 120 GLU HB2 H 2.061 0.02 . 1227 120 120 GLU HB3 H 1.969 0.02 . 1228 120 120 GLU HG2 H 2.296 0.02 . 1229 120 120 GLU C C 178.776 0.3 . 1230 120 120 GLU CA C 59.039 0.3 . 1231 120 120 GLU CB C 29.051 0.3 . 1232 120 120 GLU CG C 36.159 0.3 . 1233 120 120 GLU N N 119.861 0.3 . 1234 121 121 THR H H 7.765 0.02 . 1235 121 121 THR HA H 3.839 0.02 . 1236 121 121 THR HB H 4.441 0.02 . 1237 121 121 THR HG2 H 1.169 0.02 . 1238 121 121 THR C C 176.263 0.3 . 1239 121 121 THR CA C 67.699 0.3 . 1240 121 121 THR CB C 68.251 0.3 . 1241 121 121 THR CG2 C 21.751 0.3 . 1242 121 121 THR N N 118.498 0.3 . 1243 122 122 ILE H H 8.291 0.02 . 1244 122 122 ILE HA H 3.351 0.02 . 1245 122 122 ILE HB H 1.971 0.02 . 1246 122 122 ILE HG12 H 1.916 0.02 . 1247 122 122 ILE HG2 H 0.815 0.02 . 1248 122 122 ILE HD1 H 0.883 0.02 . 1249 122 122 ILE C C 178.558 0.3 . 1250 122 122 ILE CA C 66.459 0.3 . 1251 122 122 ILE CB C 38.025 0.3 . 1252 122 122 ILE CG1 C 30.182 0.3 . 1253 122 122 ILE CG2 C 17.807 0.3 . 1254 122 122 ILE CD1 C 14.322 0.3 . 1255 122 122 ILE N N 121.072 0.3 . 1256 123 123 ARG H H 8.295 0.02 . 1257 123 123 ARG HA H 3.827 0.02 . 1258 123 123 ARG HB2 H 2.032 0.02 . 1259 123 123 ARG HB3 H 1.847 0.02 . 1260 123 123 ARG HG2 H 1.618 0.02 . 1261 123 123 ARG HG3 H 1.47 0.02 . 1262 123 123 ARG HD2 H 3.181 0.02 . 1263 123 123 ARG HD3 H 3.032 0.02 . 1264 123 123 ARG HE H 7.7 0.02 . 1265 123 123 ARG HH21 H 6.735 0.02 . 1266 123 123 ARG C C 178.267 0.3 . 1267 123 123 ARG CA C 60.377 0.3 . 1268 123 123 ARG CB C 29.731 0.3 . 1269 123 123 ARG CG C 27.338 0.3 . 1270 123 123 ARG CD C 42.937 0.3 . 1271 123 123 ARG N N 122.266 0.3 . 1272 123 123 ARG NE N 86.22 0.3 . 1273 124 124 VAL H H 7.98 0.02 . 1274 124 124 VAL HA H 3.647 0.02 . 1275 124 124 VAL HB H 2.225 0.02 . 1276 124 124 VAL HG1 H 0.931 0.02 . 1277 124 124 VAL HG2 H 1.048 0.02 . 1278 124 124 VAL C C 179.952 0.3 . 1279 124 124 VAL CA C 66.497 0.3 . 1280 124 124 VAL CB C 31.921 0.3 . 1281 124 124 VAL CG1 C 21.242 0.3 . 1282 124 124 VAL CG2 C 22.624 0.3 . 1283 124 124 VAL N N 118.405 0.3 . 1284 125 125 VAL H H 8.332 0.02 . 1285 125 125 VAL HA H 3.817 0.02 . 1286 125 125 VAL HB H 2.184 0.02 . 1287 125 125 VAL HG1 H 0.886 0.02 . 1288 125 125 VAL HG2 H 1.001 0.02 . 1289 125 125 VAL C C 177.933 0.3 . 1290 125 125 VAL CA C 65.931 0.3 . 1291 125 125 VAL CB C 31.861 0.3 . 1292 125 125 VAL CG1 C 21.854 0.3 . 1293 125 125 VAL CG2 C 22.441 0.3 . 1294 125 125 VAL N N 119.201 0.3 . 1295 126 126 THR H H 7.992 0.02 . 1296 126 126 THR HA H 4.047 0.02 . 1297 126 126 THR HB H 4.335 0.02 . 1298 126 126 THR HG2 H 1.146 0.02 . 1299 126 126 THR C C 175.404 0.3 . 1300 126 126 THR CA C 63.362 0.3 . 1301 126 126 THR CB C 69.831 0.3 . 1302 126 126 THR CG2 C 21.942 0.3 . 1303 126 126 THR N N 109.114 0.3 . 1304 127 127 GLU H H 7.9 0.02 . 1305 127 127 GLU HA H 4.082 0.02 . 1306 127 127 GLU HB2 H 2.087 0.02 . 1307 127 127 GLU HG2 H 2.329 0.02 . 1308 127 127 GLU HG3 H 2.22 0.02 . 1309 127 127 GLU C C 176.38 0.3 . 1310 127 127 GLU CA C 57.541 0.3 . 1311 127 127 GLU CB C 28.768 0.3 . 1312 127 127 GLU CG C 36.625 0.3 . 1313 127 127 GLU N N 120.753 0.3 . 1314 128 128 ASN H H 8.251 0.02 . 1315 128 128 ASN HA H 4.474 0.02 . 1316 128 128 ASN HB2 H 2.959 0.02 . 1317 128 128 ASN HB3 H 2.863 0.02 . 1318 128 128 ASN HD21 H 7.574 0.02 . 1319 128 128 ASN HD22 H 6.849 0.02 . 1320 128 128 ASN C C 175.492 0.3 . 1321 128 128 ASN CA C 54.216 0.3 . 1322 128 128 ASN CB C 38.844 0.3 . 1323 128 128 ASN N N 116.329 0.3 . 1324 128 128 ASN ND2 N 112.418 0.3 . 1325 129 129 LYS H H 8.12 0.02 . 1326 129 129 LYS HA H 4.245 0.02 . 1327 129 129 LYS HB2 H 1.774 0.02 . 1328 129 129 LYS HG2 H 1.403 0.02 . 1329 129 129 LYS HD2 H 1.642 0.02 . 1330 129 129 LYS HE2 H 2.956 0.02 . 1331 129 129 LYS C C 176.67 0.3 . 1332 129 129 LYS CA C 57.246 0.3 . 1333 129 129 LYS CB C 33.017 0.3 . 1334 129 129 LYS CG C 24.796 0.3 . 1335 129 129 LYS CD C 29.158 0.3 . 1336 129 129 LYS CE C 42.155 0.3 . 1337 129 129 LYS N N 120.172 0.3 . 1338 130 130 ILE H H 7.844 0.02 . 1339 130 130 ILE HA H 4.08 0.02 . 1340 130 130 ILE HB H 1.72 0.02 . 1341 130 130 ILE HG12 H 1.237 0.02 . 1342 130 130 ILE HG13 H 1.014 0.02 . 1343 130 130 ILE HG2 H 0.689 0.02 . 1344 130 130 ILE HD1 H 0.73 0.02 . 1345 130 130 ILE C C 175.414 0.3 . 1346 130 130 ILE CA C 61.409 0.3 . 1347 130 130 ILE CB C 38.642 0.3 . 1348 130 130 ILE CG1 C 27.222 0.3 . 1349 130 130 ILE CG2 C 17.385 0.3 . 1350 130 130 ILE CD1 C 12.958 0.3 . 1351 130 130 ILE N N 118.38 0.3 . 1352 131 131 PHE H H 8.149 0.02 . 1353 131 131 PHE HA H 4.572 0.02 . 1354 131 131 PHE HB2 H 3.115 0.02 . 1355 131 131 PHE HB3 H 2.945 0.02 . 1356 131 131 PHE C C 175.258 0.3 . 1357 131 131 PHE CA C 57.752 0.3 . 1358 131 131 PHE CB C 39.546 0.3 . 1359 131 131 PHE N N 122.722 0.3 . 1360 132 132 VAL H H 7.761 0.02 . 1361 132 132 VAL HA H 4.023 0.02 . 1362 132 132 VAL HB H 1.97 0.02 . 1363 132 132 VAL HG1 H 0.858 0.02 . 1364 132 132 VAL C C 175.258 0.3 . 1365 132 132 VAL CA C 62.129 0.3 . 1366 132 132 VAL CB C 33.173 0.3 . 1367 132 132 VAL CG1 C 21.235 0.3 . 1368 132 132 VAL N N 121.014 0.3 . 1369 133 133 GLU H H 8.318 0.02 . 1370 133 133 GLU HA H 4.259 0.02 . 1371 133 133 GLU HB2 H 1.984 0.02 . 1372 133 133 GLU HB3 H 1.885 0.02 . 1373 133 133 GLU HG2 H 2.211 0.02 . 1374 133 133 GLU HG3 H 2.248 0.02 . 1375 133 133 GLU C C 176.08 0.3 . 1376 133 133 GLU CA C 56.352 0.3 . 1377 133 133 GLU CB C 30.57 0.3 . 1378 133 133 GLU CG C 36.244 0.3 . 1379 133 133 GLU N N 124.412 0.3 . 1380 134 134 VAL H H 8.066 0.02 . 1381 134 134 VAL HA H 4.061 0.02 . 1382 134 134 VAL HB H 2.023 0.02 . 1383 134 134 VAL HG1 H 0.881 0.02 . 1384 134 134 VAL C C 175.727 0.3 . 1385 134 134 VAL CA C 62.125 0.3 . 1386 134 134 VAL CB C 32.993 0.3 . 1387 134 134 VAL CG1 C 21.057 0.3 . 1388 134 134 VAL N N 120.725 0.3 . 1389 135 135 GLU H H 8.42 0.02 . 1390 135 135 GLU HA H 4.252 0.02 . 1391 135 135 GLU HB2 H 2.014 0.02 . 1392 135 135 GLU HB3 H 1.895 0.02 . 1393 135 135 GLU HG2 H 2.255 0.02 . 1394 135 135 GLU HG3 H 2.212 0.02 . 1395 135 135 GLU C C 175.258 0.3 . 1396 135 135 GLU CA C 56.74 0.3 . 1397 135 135 GLU CB C 30.42 0.3 . 1398 135 135 GLU CG C 36.244 0.3 . 1399 135 135 GLU N N 125.105 0.3 . 1400 136 136 ARG H H 7.925 0.02 . 1401 136 136 ARG HA H 4.133 0.02 . 1402 136 136 ARG HB2 H 1.797 0.02 . 1403 136 136 ARG HB3 H 1.669 0.02 . 1404 136 136 ARG HG2 H 1.549 0.02 . 1405 136 136 ARG HD2 H 3.139 0.02 . 1406 136 136 ARG HE H 7.176 0.02 . 1407 136 136 ARG CA C 57.419 0.3 . 1408 136 136 ARG CB C 31.664 0.3 . 1409 136 136 ARG CG C 27.141 0.3 . 1410 136 136 ARG CD C 43.557 0.3 . 1411 136 136 ARG N N 127.302 0.3 . stop_ save_