data_27744 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone chemical shift assignments of translation initiation factor 3 from Pseudomonas aeruginosa ; _BMRB_accession_number 27744 _BMRB_flat_file_name bmr27744.str _Entry_type original _Submission_date 2018-12-26 _Accession_date 2018-12-26 _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 Yonghong . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 964 "13C chemical shifts" 677 "15N chemical shifts" 171 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2020-04-07 update BMRB 'update entry citation' 2020-02-28 original author 'original release' stop_ _Original_release_date 2019-01-02 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Backbone chemical shift assignments of translation initiation factor 3 from Pseudomonas aeruginosa ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 31902070 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Li Libo . . 2 Palmer Stephanie O. . 3 Gomez Elizabeth A. . 4 Mendiola Frank . . 5 Wang Tianzhi . . 6 Bullard James M. . 7 Zhang Yonghong . . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_volume 14 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 93 _Page_last 97 _Year 2020 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name PaIF3 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label PaIF3 $PaIF3 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_PaIF3 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common PaIF3 _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 193 _Mol_residue_sequence ; MASIIKREMRQDKRAQPKPP INENISAREVRLIGADGQQV GVVSIDEAIRLAEEAKLDLV EISADAVPPVCRIMDYGKHL FEKKKQAAVAKKNQKQAQVK EIKFRPGTEEGDYQVKLRNL VRFLSEGDKAKVSLRFRGRE MAHQELGMELLKRVEADLVE YGTVEQHPKLEGRQLMMVIA PKKKKLEHHHHHH ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -2 MET 2 -1 ALA 3 0 SER 4 1 ILE 5 2 ILE 6 3 LYS 7 4 ARG 8 5 GLU 9 6 MET 10 7 ARG 11 8 GLN 12 9 ASP 13 10 LYS 14 11 ARG 15 12 ALA 16 13 GLN 17 14 PRO 18 15 LYS 19 16 PRO 20 17 PRO 21 18 ILE 22 19 ASN 23 20 GLU 24 21 ASN 25 22 ILE 26 23 SER 27 24 ALA 28 25 ARG 29 26 GLU 30 27 VAL 31 28 ARG 32 29 LEU 33 30 ILE 34 31 GLY 35 32 ALA 36 33 ASP 37 34 GLY 38 35 GLN 39 36 GLN 40 37 VAL 41 38 GLY 42 39 VAL 43 40 VAL 44 41 SER 45 42 ILE 46 43 ASP 47 44 GLU 48 45 ALA 49 46 ILE 50 47 ARG 51 48 LEU 52 49 ALA 53 50 GLU 54 51 GLU 55 52 ALA 56 53 LYS 57 54 LEU 58 55 ASP 59 56 LEU 60 57 VAL 61 58 GLU 62 59 ILE 63 60 SER 64 61 ALA 65 62 ASP 66 63 ALA 67 64 VAL 68 65 PRO 69 66 PRO 70 67 VAL 71 68 CYS 72 69 ARG 73 70 ILE 74 71 MET 75 72 ASP 76 73 TYR 77 74 GLY 78 75 LYS 79 76 HIS 80 77 LEU 81 78 PHE 82 79 GLU 83 80 LYS 84 81 LYS 85 82 LYS 86 83 GLN 87 84 ALA 88 85 ALA 89 86 VAL 90 87 ALA 91 88 LYS 92 89 LYS 93 90 ASN 94 91 GLN 95 92 LYS 96 93 GLN 97 94 ALA 98 95 GLN 99 96 VAL 100 97 LYS 101 98 GLU 102 99 ILE 103 100 LYS 104 101 PHE 105 102 ARG 106 103 PRO 107 104 GLY 108 105 THR 109 106 GLU 110 107 GLU 111 108 GLY 112 109 ASP 113 110 TYR 114 111 GLN 115 112 VAL 116 113 LYS 117 114 LEU 118 115 ARG 119 116 ASN 120 117 LEU 121 118 VAL 122 119 ARG 123 120 PHE 124 121 LEU 125 122 SER 126 123 GLU 127 124 GLY 128 125 ASP 129 126 LYS 130 127 ALA 131 128 LYS 132 129 VAL 133 130 SER 134 131 LEU 135 132 ARG 136 133 PHE 137 134 ARG 138 135 GLY 139 136 ARG 140 137 GLU 141 138 MET 142 139 ALA 143 140 HIS 144 141 GLN 145 142 GLU 146 143 LEU 147 144 GLY 148 145 MET 149 146 GLU 150 147 LEU 151 148 LEU 152 149 LYS 153 150 ARG 154 151 VAL 155 152 GLU 156 153 ALA 157 154 ASP 158 155 LEU 159 156 VAL 160 157 GLU 161 158 TYR 162 159 GLY 163 160 THR 164 161 VAL 165 162 GLU 166 163 GLN 167 164 HIS 168 165 PRO 169 166 LYS 170 167 LEU 171 168 GLU 172 169 GLY 173 170 ARG 174 171 GLN 175 172 LEU 176 173 MET 177 174 MET 178 175 VAL 179 176 ILE 180 177 ALA 181 178 PRO 182 179 LYS 183 180 LYS 184 181 LYS 185 182 LYS 186 183 LEU 187 184 GLU 188 185 HIS 189 186 HIS 190 187 HIS 191 188 HIS 192 189 HIS 193 190 HIS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $PaIF3 'Pseudomonas aeruginosa' 287 Bacteria . Pseudomonas aeruginosa 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 $PaIF3 'recombinant technology' . Escherichia coli . pET24b 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 $PaIF3 1 mM '[U-100% 13C; U-100% 15N]' 'sodium phosphate' 25 mM 'natural abundance' 'sodium chloride' 25 mM 'natural abundance' dithiothreitol-d10 10 mM '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_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _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_HNCA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.05 . M pH 6.5 . pH pressure 1 . atm temperature 300 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D CBCA(CO)NH' '3D HNCACB' '3D HNCO' 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 PaIF3 _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 4 ILE H H 8.337 0.03 1 2 1 4 ILE HA H 4.455 0.03 1 3 1 4 ILE HB H 2.104 0.03 1 4 1 4 ILE HD1 H 0.852 0.05 1 5 1 4 ILE C C 175.990 0.30 1 6 1 4 ILE CA C 61.223 0.12 1 7 1 4 ILE CB C 38.745 0.04 1 8 1 4 ILE CD1 C 13.077 0.40 1 9 1 4 ILE N N 123.338 0.30 1 10 2 5 ILE H H 8.285 0.03 1 11 2 5 ILE HA H 4.386 0.03 1 12 2 5 ILE HB H 2.066 0.03 1 13 2 5 ILE HD1 H 0.836 0.03 1 14 2 5 ILE C C 175.888 0.30 1 15 2 5 ILE CA C 60.913 0.05 1 16 2 5 ILE CB C 38.425 0.41 1 17 2 5 ILE CD1 C 12.977 0.40 1 18 2 5 ILE N N 126.016 0.30 1 19 3 6 LYS H H 8.412 0.03 1 20 3 6 LYS CA C 56.189 0.30 1 21 3 6 LYS CB C 32.993 0.30 1 22 3 6 LYS N N 126.955 0.30 1 23 4 7 ARG H H 8.433 0.03 1 24 4 7 ARG HA H 4.334 0.03 1 25 4 7 ARG HB2 H 1.851 0.03 2 26 4 7 ARG HB3 H 1.851 0.03 2 27 4 7 ARG C C 176.325 0.30 1 28 4 7 ARG CA C 56.455 0.09 1 29 4 7 ARG CB C 30.526 0.26 1 30 4 7 ARG N N 123.421 0.30 1 31 5 8 GLU H H 8.446 0.03 1 32 5 8 GLU HA H 4.246 0.03 1 33 5 8 GLU HB2 H 1.842 0.03 2 34 5 8 GLU HB3 H 1.856 0.03 2 35 5 8 GLU C C 177.162 0.30 1 36 5 8 GLU CA C 56.832 0.30 1 37 5 8 GLU CB C 32.860 0.30 1 38 5 8 GLU N N 122.273 0.30 1 39 6 9 MET H H 8.182 0.03 1 40 6 9 MET HA H 4.558 0.03 1 41 6 9 MET HB2 H 1.770 0.03 2 42 6 9 MET HB3 H 1.779 0.03 2 43 6 9 MET HE H 1.790 0.03 1 44 6 9 MET C C 176.492 0.30 1 45 6 9 MET CA C 56.756 0.13 1 46 6 9 MET CB C 32.886 0.14 1 47 6 9 MET CE C 16.782 0.30 1 48 6 9 MET N N 121.647 0.30 1 49 7 10 ARG H H 8.391 0.03 1 50 7 10 ARG HA H 4.334 0.03 1 51 7 10 ARG HB2 H 1.851 0.03 2 52 7 10 ARG HB3 H 1.851 0.03 2 53 7 10 ARG C C 176.327 0.30 1 54 7 10 ARG CA C 56.373 0.30 1 55 7 10 ARG CB C 30.709 0.30 1 56 7 10 ARG N N 122.093 0.30 1 57 8 11 GLN H H 8.534 0.03 1 58 8 11 GLN HA H 4.344 0.03 1 59 8 11 GLN HB2 H 2.046 0.03 2 60 8 11 GLN HB3 H 2.046 0.03 2 61 8 11 GLN C C 175.600 0.30 1 62 8 11 GLN CA C 56.048 0.04 1 63 8 11 GLN CB C 29.370 0.05 1 64 8 11 GLN N N 121.938 0.30 1 65 9 12 ASP H H 8.430 0.03 1 66 9 12 ASP HA H 4.835 0.03 1 67 9 12 ASP HB2 H 2.913 0.03 2 68 9 12 ASP HB3 H 2.917 0.03 2 69 9 12 ASP C C 176.331 0.30 1 70 9 12 ASP CA C 54.310 0.09 1 71 9 12 ASP CB C 41.212 0.30 1 72 9 12 ASP N N 121.707 0.30 1 73 10 13 LYS H H 8.304 0.03 1 74 10 13 LYS HA H 4.540 0.03 1 75 10 13 LYS HB2 H 2.094 0.03 2 76 10 13 LYS HB3 H 2.102 0.03 2 77 10 13 LYS C C 176.677 0.30 1 78 10 13 LYS CA C 56.564 0.05 1 79 10 13 LYS CB C 32.674 0.30 1 80 10 13 LYS N N 122.059 0.30 1 81 11 14 ARG H H 8.293 0.03 1 82 11 14 ARG HA H 4.290 0.03 1 83 11 14 ARG HB2 H 1.848 0.03 2 84 11 14 ARG HB3 H 1.848 0.03 2 85 11 14 ARG HD2 H 3.191 0.03 2 86 11 14 ARG HD3 H 3.191 0.03 2 87 11 14 ARG HG2 H 1.776 0.03 2 88 11 14 ARG HG3 H 1.776 0.03 2 89 11 14 ARG C C 176.095 0.30 1 90 11 14 ARG CA C 56.292 0.04 1 91 11 14 ARG CB C 30.663 0.30 1 92 11 14 ARG N N 121.557 0.30 1 93 12 15 ALA H H 8.248 0.03 1 94 12 15 ALA HA H 4.555 0.03 1 95 12 15 ALA HB H 1.630 0.03 1 96 12 15 ALA C C 177.364 0.30 1 97 12 15 ALA CA C 52.333 0.10 1 98 12 15 ALA CB C 19.238 0.30 1 99 12 15 ALA N N 125.018 0.30 1 100 13 16 GLN H H 8.302 0.03 1 101 13 16 GLN HA H 4.326 0.03 1 102 13 16 GLN HB2 H 1.985 0.03 2 103 13 16 GLN HB3 H 2.011 0.03 2 104 13 16 GLN HG2 H 2.349 0.03 2 105 13 16 GLN HG3 H 2.349 0.03 2 106 13 16 GLN CA C 53.572 0.30 1 107 13 16 GLN CB C 28.986 0.30 1 108 13 16 GLN CG C 22.190 0.30 1 109 13 16 GLN N N 120.930 0.30 1 110 14 17 PRO HA H 4.466 0.03 1 111 14 17 PRO HB2 H 1.904 0.03 2 112 14 17 PRO HB3 H 2.297 0.03 2 113 14 17 PRO HD2 H 3.768 0.03 2 114 14 17 PRO HD3 H 3.783 0.03 2 115 14 17 PRO HG2 H 2.040 0.03 2 116 14 17 PRO HG3 H 2.040 0.03 2 117 14 17 PRO C C 176.167 0.30 1 118 14 17 PRO CA C 63.228 0.30 1 119 14 17 PRO CB C 32.288 0.30 1 120 14 17 PRO CD C 48.223 0.30 1 121 14 17 PRO CG C 25.961 0.30 1 122 15 18 LYS H H 8.439 0.01 1 123 15 18 LYS HA H 4.512 0.05 1 124 15 18 LYS HB2 H 1.713 0.05 2 125 15 18 LYS HB3 H 1.713 0.05 2 126 15 18 LYS HD2 H 1.694 0.05 2 127 15 18 LYS HD3 H 1.694 0.05 2 128 15 18 LYS HE2 H 2.966 0.05 2 129 15 18 LYS HE3 H 2.966 0.05 2 130 15 18 LYS HG2 H 1.528 0.05 2 131 15 18 LYS HG3 H 1.528 0.05 2 132 15 18 LYS CA C 54.074 0.30 1 133 15 18 LYS CB C 32.551 0.30 1 134 15 18 LYS CD C 30.559 0.30 1 135 15 18 LYS CE C 40.324 0.30 1 136 15 18 LYS N N 122.748 0.10 1 137 17 20 PRO HA H 4.258 0.03 1 138 17 20 PRO HB2 H 1.846 0.03 2 139 17 20 PRO HB3 H 1.882 0.03 2 140 17 20 PRO C C 176.668 0.30 1 141 18 21 ILE H H 8.377 0.03 1 142 18 21 ILE HA H 4.851 0.03 1 143 18 21 ILE HB H 2.104 0.03 1 144 18 21 ILE HD1 H 0.661 0.03 1 145 18 21 ILE C C 174.636 0.30 1 146 18 21 ILE CA C 53.343 0.09 1 147 18 21 ILE CB C 38.643 0.30 1 148 18 21 ILE CD1 C 13.526 0.30 1 149 18 21 ILE N N 119.136 0.30 1 150 20 23 GLU H H 9.081 0.03 1 151 20 23 GLU HA H 4.504 0.03 1 152 20 23 GLU HB2 H 2.092 0.03 2 153 20 23 GLU HB3 H 2.128 0.03 2 154 20 23 GLU C C 176.668 0.30 1 155 20 23 GLU CA C 56.979 0.00 1 156 20 23 GLU CB C 32.852 0.30 1 157 20 23 GLU N N 128.865 0.30 1 158 21 24 ASN H H 8.377 0.03 1 159 21 24 ASN HA H 4.839 0.03 1 160 21 24 ASN HB2 H 2.936 0.03 2 161 21 24 ASN HB3 H 2.933 0.03 2 162 21 24 ASN C C 176.238 0.30 1 163 21 24 ASN CA C 54.719 0.30 1 164 21 24 ASN CB C 41.124 0.30 1 165 21 24 ASN N N 119.154 0.30 1 166 22 25 ILE H H 8.031 0.03 1 167 22 25 ILE HA H 4.215 0.03 1 168 22 25 ILE HD1 H 0.895 0.03 1 169 22 25 ILE CA C 55.146 0.30 1 170 22 25 ILE CB C 42.203 0.30 1 171 22 25 ILE CD1 C 13.299 0.30 1 172 22 25 ILE N N 121.920 0.30 1 173 23 26 SER HA H 4.451 0.03 1 174 23 26 SER HB2 H 3.886 0.03 2 175 23 26 SER HB3 H 3.886 0.03 2 176 23 26 SER C C 174.313 0.30 1 177 23 26 SER CA C 58.258 0.30 1 178 23 26 SER CB C 64.127 0.30 1 179 24 27 ALA H H 7.210 0.01 1 180 24 27 ALA HA H 4.536 0.03 1 181 24 27 ALA HB H 1.574 0.03 1 182 24 27 ALA HB H 1.589 0.03 1 183 24 27 ALA HB H 1.576 0.03 1 184 24 27 ALA C C 176.437 0.30 1 185 24 27 ALA CA C 52.531 0.11 1 186 24 27 ALA CB C 20.134 0.32 1 187 24 27 ALA N N 126.444 0.30 1 188 25 28 ARG H H 8.538 0.03 1 189 25 28 ARG HA H 4.343 0.03 1 190 25 28 ARG HB2 H 1.884 0.03 2 191 25 28 ARG HB3 H 1.884 0.03 2 192 25 28 ARG C C 177.509 0.30 1 193 25 28 ARG CA C 56.546 0.07 1 194 25 28 ARG CB C 30.512 0.30 1 195 25 28 ARG N N 117.087 0.30 1 196 26 29 GLU H H 7.588 0.01 1 197 26 29 GLU HA H 4.911 0.03 1 198 26 29 GLU HB2 H 1.803 0.03 2 199 26 29 GLU HB3 H 1.766 0.03 2 200 26 29 GLU HG2 H 1.980 0.03 2 201 26 29 GLU HG3 H 1.980 0.03 2 202 26 29 GLU C C 174.427 0.30 1 203 26 29 GLU CA C 55.069 0.05 1 204 26 29 GLU CB C 32.843 0.08 1 205 26 29 GLU CG C 36.202 0.50 1 206 26 29 GLU N N 119.136 0.30 1 207 27 30 VAL H H 9.005 0.03 1 208 27 30 VAL HA H 5.132 0.03 1 209 27 30 VAL HB H 2.271 0.03 1 210 27 30 VAL HG1 H 0.532 0.03 2 211 27 30 VAL HG2 H 0.700 0.03 2 212 27 30 VAL C C 173.356 0.30 1 213 27 30 VAL CA C 58.520 0.04 1 214 27 30 VAL CB C 35.428 0.30 1 215 27 30 VAL CG1 C 18.366 0.30 1 216 27 30 VAL CG2 C 23.358 0.30 1 217 27 30 VAL N N 112.031 0.30 1 218 28 31 ARG H H 9.099 0.01 1 219 28 31 ARG HA H 4.457 0.03 1 220 28 31 ARG HB2 H 1.810 0.03 2 221 28 31 ARG HB3 H 1.810 0.03 2 222 28 31 ARG C C 173.784 0.30 1 223 28 31 ARG CA C 56.241 0.17 1 224 28 31 ARG CB C 30.611 0.02 1 225 28 31 ARG N N 123.831 0.30 1 226 29 32 LEU H H 8.722 0.03 1 227 29 32 LEU HA H 5.143 0.03 1 228 29 32 LEU HB2 H 2.254 0.03 2 229 29 32 LEU HB3 H 2.264 0.03 2 230 29 32 LEU HD1 H 0.833 0.05 2 231 29 32 LEU HG H 1.394 0.05 1 232 29 32 LEU C C 175.023 0.30 1 233 29 32 LEU CA C 54.221 0.08 1 234 29 32 LEU CB C 46.239 0.01 1 235 29 32 LEU N N 128.797 0.11 1 236 30 33 ILE H H 9.084 0.01 1 237 30 33 ILE HA H 4.713 0.03 1 238 30 33 ILE HB H 1.924 0.03 1 239 30 33 ILE HD1 H 0.733 0.05 1 240 30 33 ILE C C 176.053 0.30 1 241 30 33 ILE CA C 60.335 0.08 1 242 30 33 ILE CB C 38.662 0.01 1 243 30 33 ILE CD1 C 12.632 0.30 1 244 30 33 ILE N N 129.553 0.30 1 245 31 34 GLY H H 8.905 0.01 1 246 31 34 GLY HA2 H 4.305 0.03 2 247 31 34 GLY HA3 H 4.330 0.03 2 248 31 34 GLY C C 174.823 0.30 1 249 31 34 GLY CA C 44.307 0.14 1 250 31 34 GLY N N 111.578 0.30 1 251 32 35 ALA H H 9.155 0.03 1 252 32 35 ALA HA H 4.609 0.03 1 253 32 35 ALA HB H 1.573 0.03 1 254 32 35 ALA C C 178.541 0.30 1 255 32 35 ALA CA C 54.691 0.04 1 256 32 35 ALA CB C 18.150 0.06 1 257 32 35 ALA N N 122.804 0.30 1 258 33 36 ASP H H 8.172 0.03 1 259 33 36 ASP HA H 4.856 0.03 1 260 33 36 ASP HB2 H 2.951 0.03 2 261 33 36 ASP HB3 H 3.166 0.03 2 262 33 36 ASP C C 177.171 0.30 1 263 33 36 ASP CA C 53.045 0.30 1 264 33 36 ASP CB C 40.270 0.30 1 265 33 36 ASP N N 114.726 0.30 1 266 34 37 GLY H H 8.109 0.03 1 267 34 37 GLY HA2 H 3.622 0.03 2 268 34 37 GLY HA3 H 4.507 0.03 2 269 34 37 GLY C C 173.897 0.30 1 270 34 37 GLY CA C 45.219 0.30 1 271 34 37 GLY N N 107.818 0.30 1 272 35 38 GLN H H 8.254 0.03 1 273 35 38 GLN HA H 4.377 0.03 1 274 35 38 GLN HB2 H 2.021 0.03 2 275 35 38 GLN HB3 H 2.015 0.03 2 276 35 38 GLN HG2 H 2.299 0.03 2 277 35 38 GLN HG3 H 2.299 0.03 2 278 35 38 GLN C C 176.195 0.30 1 279 35 38 GLN CA C 54.973 0.01 1 280 35 38 GLN CB C 29.154 0.04 1 281 35 38 GLN N N 120.050 0.30 1 282 36 39 GLN H H 9.083 0.01 1 283 36 39 GLN HA H 4.343 0.03 1 284 36 39 GLN HB2 H 2.059 0.03 2 285 36 39 GLN HB3 H 2.077 0.03 2 286 36 39 GLN HG2 H 2.389 0.03 2 287 36 39 GLN HG3 H 2.415 0.03 2 288 36 39 GLN C C 176.043 0.30 1 289 36 39 GLN CA C 56.863 0.06 1 290 36 39 GLN CB C 28.149 0.01 1 291 36 39 GLN N N 124.096 0.30 1 292 37 40 VAL H H 8.797 0.01 1 293 37 40 VAL HA H 4.395 0.20 1 294 37 40 VAL HB H 2.115 0.03 1 295 37 40 VAL HG1 H 0.920 0.03 2 296 37 40 VAL HG2 H 0.855 0.03 2 297 37 40 VAL C C 176.172 0.30 1 298 37 40 VAL CA C 64.237 0.30 1 299 37 40 VAL CB C 32.614 0.30 1 300 37 40 VAL CG2 C 20.779 0.30 1 301 37 40 VAL N N 127.782 0.30 1 302 38 41 GLY H H 7.449 0.03 1 303 38 41 GLY HA2 H 4.045 0.03 2 304 38 41 GLY HA3 H 4.650 0.03 2 305 38 41 GLY C C 171.946 0.03 1 306 38 41 GLY CA C 43.575 0.02 1 307 38 41 GLY N N 105.199 0.30 1 308 39 42 VAL H H 8.501 0.03 1 309 39 42 VAL HA H 5.110 0.03 1 310 39 42 VAL HB H 2.184 0.03 1 311 39 42 VAL HG1 H 0.842 0.03 2 312 39 42 VAL HG2 H 0.725 0.03 2 313 39 42 VAL C C 176.688 0.30 1 314 39 42 VAL CA C 62.685 0.05 1 315 39 42 VAL CB C 31.008 0.16 1 316 39 42 VAL CG1 C 21.373 0.16 1 317 39 42 VAL CG2 C 21.331 0.16 1 318 39 42 VAL N N 121.808 0.30 1 319 40 43 VAL H H 8.988 0.01 1 320 40 43 VAL HA H 5.087 0.03 1 321 40 43 VAL HB H 2.488 0.03 1 322 40 43 VAL HG1 H 0.764 0.03 2 323 40 43 VAL HG2 H 0.725 0.03 2 324 40 43 VAL C C 174.704 0.30 1 325 40 43 VAL CA C 58.393 0.04 1 326 40 43 VAL CB C 36.660 0.30 1 327 40 43 VAL CG1 C 21.748 0.30 1 328 40 43 VAL CG2 C 19.771 0.30 1 329 40 43 VAL N N 121.607 0.30 1 330 41 44 SER H H 8.721 0.03 1 331 41 44 SER HA H 4.710 0.03 1 332 41 44 SER HB2 H 4.115 0.03 2 333 41 44 SER HB3 H 4.366 0.03 2 334 41 44 SER C C 170.361 0.30 1 335 41 44 SER CA C 58.230 0.01 1 336 41 44 SER CB C 64.715 0.30 1 337 41 44 SER N N 116.437 0.30 1 338 42 45 ILE H H 8.755 0.03 1 339 42 45 ILE HA H 4.326 0.03 1 340 42 45 ILE HB H 2.020 0.03 1 341 42 45 ILE HD1 H 0.813 0.05 1 342 42 45 ILE C C 175.387 0.30 1 343 42 45 ILE CA C 61.222 0.06 1 344 42 45 ILE CB C 37.891 0.30 1 345 42 45 ILE CD1 C 12.576 0.30 1 346 42 45 ILE N N 117.792 0.30 1 347 43 46 ASP H H 7.782 0.03 1 348 43 46 ASP HA H 4.552 0.03 1 349 43 46 ASP HB2 H 2.849 0.03 2 350 43 46 ASP HB3 H 2.849 0.03 2 351 43 46 ASP C C 178.914 0.30 1 352 43 46 ASP CA C 57.163 0.06 1 353 43 46 ASP CB C 40.413 0.10 1 354 43 46 ASP N N 119.120 0.30 1 355 44 47 GLU H H 7.631 0.03 1 356 44 47 GLU HA H 4.268 0.03 1 357 44 47 GLU HB2 H 1.844 0.03 2 358 44 47 GLU HB3 H 2.046 0.03 2 359 44 47 GLU HG2 H 2.561 0.03 2 360 44 47 GLU HG3 H 2.561 0.03 2 361 44 47 GLU C C 177.520 0.30 1 362 44 47 GLU CA C 58.324 0.30 1 363 44 47 GLU CB C 29.476 0.13 1 364 44 47 GLU N N 122.161 0.30 1 365 45 48 ALA H H 8.163 0.01 1 366 45 48 ALA HA H 4.151 0.03 1 367 45 48 ALA HB H 1.617 0.03 1 368 45 48 ALA C C 178.670 0.30 1 369 45 48 ALA CA C 55.389 0.12 1 370 45 48 ALA CB C 19.340 0.06 1 371 45 48 ALA N N 122.042 0.30 1 372 46 49 ILE H H 8.465 0.03 1 373 46 49 ILE HA H 3.919 0.03 1 374 46 49 ILE HB H 2.212 0.03 1 375 46 49 ILE HD1 H 0.788 0.05 1 376 46 49 ILE HG12 H 1.178 0.05 2 377 46 49 ILE HG13 H 1.178 0.05 2 378 46 49 ILE HG2 H 0.903 0.05 1 379 46 49 ILE C C 177.886 0.30 1 380 46 49 ILE CA C 64.322 0.36 1 381 46 49 ILE CB C 37.138 0.10 1 382 46 49 ILE CD1 C 14.567 0.10 1 383 46 49 ILE CG2 C 16.813 0.10 1 384 46 49 ILE N N 117.707 0.10 1 385 47 50 ARG H H 7.729 0.01 1 386 47 50 ARG HA H 4.235 0.03 1 387 47 50 ARG HB2 H 2.082 0.03 2 388 47 50 ARG HB3 H 1.957 0.03 2 389 47 50 ARG HD2 H 3.215 0.03 2 390 47 50 ARG HD3 H 3.215 0.03 2 391 47 50 ARG HG2 H 1.702 0.05 2 392 47 50 ARG HG3 H 1.703 0.05 2 393 47 50 ARG C C 179.632 0.30 1 394 47 50 ARG CA C 59.914 0.10 1 395 47 50 ARG CB C 29.909 0.30 1 396 47 50 ARG N N 121.094 0.30 1 397 48 51 LEU H H 8.416 0.03 1 398 48 51 LEU HA H 4.232 0.03 1 399 48 51 LEU HB2 H 1.852 0.05 2 400 48 51 LEU HB3 H 1.852 0.05 2 401 48 51 LEU HD1 H 0.788 0.05 2 402 48 51 LEU HD2 H 0.831 0.05 2 403 48 51 LEU C C 180.386 0.30 1 404 48 51 LEU CA C 57.922 0.10 1 405 48 51 LEU CB C 41.475 0.17 1 406 48 51 LEU CD1 C 26.668 0.30 1 407 48 51 LEU N N 120.039 0.30 1 408 49 52 ALA H H 8.291 0.01 1 409 49 52 ALA HA H 4.184 0.03 1 410 49 52 ALA HB H 1.695 0.03 1 411 49 52 ALA HB H 1.636 0.03 1 412 49 52 ALA HB H 1.646 0.03 1 413 49 52 ALA C C 178.932 0.30 1 414 49 52 ALA CA C 56.099 0.10 1 415 49 52 ALA CB C 18.125 0.01 1 416 49 52 ALA N N 125.579 0.30 1 417 50 53 GLU H H 8.683 0.03 1 418 50 53 GLU HA H 4.154 0.03 1 419 50 53 GLU HB2 H 1.857 0.03 2 420 50 53 GLU HB3 H 2.306 0.03 2 421 50 53 GLU HG2 H 2.554 0.03 2 422 50 53 GLU HG3 H 2.554 0.03 2 423 50 53 GLU C C 176.279 0.30 1 424 50 53 GLU CA C 59.540 0.15 1 425 50 53 GLU CB C 29.071 0.30 1 426 50 53 GLU N N 118.373 0.30 1 427 51 54 GLU H H 8.532 0.03 1 428 51 54 GLU HA H 4.047 0.03 1 429 51 54 GLU HB2 H 2.121 0.03 2 430 51 54 GLU HB3 H 2.232 0.03 2 431 51 54 GLU HG2 H 2.453 0.05 2 432 51 54 GLU HG3 H 2.453 0.05 2 433 51 54 GLU C C 177.933 0.30 1 434 51 54 GLU CA C 59.414 0.14 1 435 51 54 GLU CB C 29.520 0.16 1 436 51 54 GLU N N 121.533 0.14 1 437 52 55 ALA H H 7.438 0.03 1 438 52 55 ALA HA H 4.485 0.03 1 439 52 55 ALA HB H 1.700 0.03 1 440 52 55 ALA HB H 1.659 0.03 1 441 52 55 ALA HB H 1.709 0.03 1 442 52 55 ALA C C 175.636 0.30 1 443 52 55 ALA CA C 52.237 0.09 1 444 52 55 ALA CB C 19.109 0.01 1 445 52 55 ALA N N 119.701 0.30 1 446 53 56 LYS H H 7.939 0.03 1 447 53 56 LYS HA H 3.917 0.03 1 448 53 56 LYS HB2 H 1.922 0.03 2 449 53 56 LYS HB3 H 2.116 0.03 2 450 53 56 LYS HD2 H 1.662 0.03 2 451 53 56 LYS HD3 H 1.662 0.03 2 452 53 56 LYS HE2 H 3.057 0.03 2 453 53 56 LYS HE3 H 3.057 0.03 2 454 53 56 LYS HG2 H 1.466 0.03 2 455 53 56 LYS HG3 H 1.442 0.03 2 456 53 56 LYS C C 175.625 0.30 1 457 53 56 LYS CA C 56.774 0.30 1 458 53 56 LYS CB C 28.812 0.32 1 459 53 56 LYS CD C 42.868 0.30 1 460 53 56 LYS N N 115.196 0.30 1 461 54 57 LEU H H 7.841 0.03 1 462 54 57 LEU HA H 5.151 0.03 1 463 54 57 LEU HB2 H 1.282 0.05 2 464 54 57 LEU HB3 H 1.466 0.05 2 465 54 57 LEU HD1 H 0.796 0.05 2 466 54 57 LEU HD2 H 0.929 0.05 2 467 54 57 LEU C C 174.898 0.30 1 468 54 57 LEU CA C 52.792 0.30 1 469 54 57 LEU CB C 47.679 0.30 1 470 54 57 LEU CD1 C 27.856 0.30 1 471 54 57 LEU N N 119.523 0.30 1 472 55 58 ASP H H 7.598 0.01 1 473 55 58 ASP HA H 5.249 0.03 1 474 55 58 ASP C C 173.798 0.30 1 475 55 58 ASP CA C 54.791 0.04 1 476 55 58 ASP CB C 44.203 0.30 1 477 55 58 ASP N N 115.976 0.30 1 478 56 59 LEU H H 8.723 0.01 1 479 56 59 LEU HA H 4.601 0.05 1 480 56 59 LEU HB2 H 1.424 0.05 2 481 56 59 LEU HB3 H 1.476 0.05 2 482 56 59 LEU HD1 H 0.740 0.05 2 483 56 59 LEU HD2 H 0.997 0.05 2 484 56 59 LEU HG H 1.439 0.05 1 485 56 59 LEU C C 174.958 0.30 1 486 56 59 LEU CA C 53.422 0.30 1 487 56 59 LEU CB C 43.774 0.30 1 488 56 59 LEU N N 120.820 0.30 1 489 57 60 VAL H H 8.716 0.03 1 490 57 60 VAL HA H 4.698 0.03 1 491 57 60 VAL HB H 1.988 0.03 1 492 57 60 VAL HG1 H 0.668 0.03 2 493 57 60 VAL HG2 H 0.802 0.03 2 494 57 60 VAL C C 175.396 0.30 1 495 57 60 VAL CA C 60.978 0.17 1 496 57 60 VAL CB C 34.784 0.30 1 497 57 60 VAL CG1 C 20.718 0.30 1 498 57 60 VAL CG2 C 22.013 0.30 1 499 57 60 VAL N N 126.040 0.30 1 500 58 61 GLU H H 8.609 0.01 1 501 58 61 GLU HA H 4.795 0.03 1 502 58 61 GLU HB2 H 1.999 0.03 2 503 58 61 GLU HB3 H 1.999 0.03 2 504 58 61 GLU HG2 H 2.265 0.03 2 505 58 61 GLU HG3 H 2.265 0.03 2 506 58 61 GLU C C 175.239 0.30 1 507 58 61 GLU CA C 57.049 0.07 1 508 58 61 GLU CB C 30.515 0.09 1 509 58 61 GLU CG C 36.751 0.30 1 510 58 61 GLU N N 129.280 0.30 1 511 59 62 ILE H H 8.795 0.01 1 512 59 62 ILE HA H 4.705 0.03 1 513 59 62 ILE HB H 2.200 0.03 1 514 59 62 ILE HD1 H 0.729 0.03 1 515 59 62 ILE C C 177.007 0.30 1 516 59 62 ILE CA C 61.391 0.12 1 517 59 62 ILE CB C 38.678 0.30 1 518 59 62 ILE CD1 C 12.678 0.30 1 519 59 62 ILE N N 125.093 0.30 1 520 60 63 SER H H 7.692 0.03 1 521 60 63 SER HA H 5.073 0.03 1 522 60 63 SER HB2 H 4.075 0.03 2 523 60 63 SER HB3 H 4.080 0.03 2 524 60 63 SER C C 173.992 0.30 1 525 60 63 SER CA C 57.222 0.30 1 526 60 63 SER CB C 64.150 0.30 1 527 60 63 SER N N 115.050 0.30 1 528 61 64 ALA H H 8.988 0.01 1 529 61 64 ALA HA H 4.638 0.03 1 530 61 64 ALA HB H 1.639 0.03 1 531 61 64 ALA HB H 1.646 0.03 1 532 61 64 ALA HB H 1.633 0.03 1 533 61 64 ALA C C 177.516 0.30 1 534 61 64 ALA CA C 53.220 0.30 1 535 61 64 ALA CB C 19.623 0.30 1 536 61 64 ALA N N 128.335 0.30 1 537 62 65 ASP H H 8.383 0.03 1 538 62 65 ASP HA H 4.828 0.03 1 539 62 65 ASP HB2 H 2.898 0.03 2 540 62 65 ASP HB3 H 2.926 0.03 2 541 62 65 ASP C C 175.684 0.30 1 542 62 65 ASP CA C 54.070 0.14 1 543 62 65 ASP CB C 40.686 0.06 1 544 62 65 ASP N N 115.416 0.30 1 545 63 66 ALA H H 6.925 0.03 1 546 63 66 ALA HA H 4.549 0.03 1 547 63 66 ALA HB H 1.637 0.03 1 548 63 66 ALA HB H 1.646 0.03 1 549 63 66 ALA HB H 1.633 0.03 1 550 63 66 ALA C C 175.387 0.30 1 551 63 66 ALA CA C 51.631 0.08 1 552 63 66 ALA CB C 20.781 0.30 1 553 63 66 ALA N N 122.710 0.30 1 554 64 67 VAL H H 8.135 0.03 1 555 64 67 VAL HA H 4.292 0.03 1 556 64 67 VAL HB H 1.981 0.03 1 557 64 67 VAL HG1 H 0.936 0.03 2 558 64 67 VAL HG2 H 0.921 0.03 2 559 64 67 VAL CA C 59.096 0.30 1 560 64 67 VAL CB C 33.781 0.30 1 561 64 67 VAL N N 119.168 0.30 1 562 66 69 PRO HA H 4.613 0.03 1 563 66 69 PRO HB2 H 1.673 0.05 2 564 66 69 PRO HB3 H 1.684 0.05 2 565 66 69 PRO HG2 H 2.130 0.03 2 566 66 69 PRO HG3 H 2.130 0.03 2 567 66 69 PRO C C 175.671 0.30 1 568 66 69 PRO CA C 63.761 0.30 1 569 66 69 PRO CB C 32.799 0.30 1 570 67 70 VAL H H 8.009 0.01 1 571 67 70 VAL HA H 5.118 0.03 1 572 67 70 VAL HB H 2.273 0.03 1 573 67 70 VAL HG1 H 0.883 0.03 2 574 67 70 VAL HG2 H 1.011 0.03 2 575 67 70 VAL C C 177.209 0.30 1 576 67 70 VAL CA C 61.673 0.30 1 577 67 70 VAL CB C 32.681 0.30 1 578 67 70 VAL CG2 C 21.493 0.30 1 579 67 70 VAL N N 120.916 0.30 1 580 68 71 CYS H H 9.117 0.01 1 581 68 71 CYS HA H 5.883 0.03 1 582 68 71 CYS HB2 H 2.666 0.03 2 583 68 71 CYS HB3 H 2.651 0.03 2 584 68 71 CYS C C 171.702 0.30 1 585 68 71 CYS CA C 56.638 0.30 1 586 68 71 CYS CB C 32.850 0.13 1 587 68 71 CYS N N 123.560 0.30 1 588 69 72 ARG H H 9.454 0.03 1 589 69 72 ARG HA H 5.433 0.03 1 590 69 72 ARG HB2 H 1.321 0.03 2 591 69 72 ARG HB3 H 1.448 0.03 2 592 69 72 ARG HD2 H 3.067 0.03 2 593 69 72 ARG HD3 H 3.067 0.03 2 594 69 72 ARG HG2 H 1.517 0.03 2 595 69 72 ARG HG3 H 1.614 0.03 2 596 69 72 ARG C C 174.806 0.30 1 597 69 72 ARG CA C 53.702 0.05 1 598 69 72 ARG CB C 35.728 0.06 1 599 69 72 ARG CD C 43.807 0.05 1 600 69 72 ARG CG C 27.909 0.06 1 601 69 72 ARG N N 122.204 0.30 1 602 70 73 ILE H H 7.673 0.01 1 603 70 73 ILE HA H 5.359 0.03 1 604 70 73 ILE HB H 1.779 0.03 1 605 70 73 ILE HD1 H 0.867 0.05 1 606 70 73 ILE HG2 H 0.887 0.05 1 607 70 73 ILE C C 174.769 0.30 1 608 70 73 ILE CA C 60.912 0.09 1 609 70 73 ILE CB C 38.104 0.30 1 610 70 73 ILE CD1 C 13.547 0.30 1 611 70 73 ILE CG2 C 19.539 0.30 1 612 70 73 ILE N N 126.491 0.30 1 613 71 74 MET H H 9.245 0.01 1 614 71 74 MET HA H 5.004 0.03 1 615 71 74 MET HB2 H 2.334 0.03 2 616 71 74 MET HB3 H 2.356 0.03 2 617 71 74 MET HE H 2.120 0.03 1 618 71 74 MET HG2 H 2.229 0.03 2 619 71 74 MET HG3 H 2.229 0.03 2 620 71 74 MET C C 172.710 0.30 1 621 71 74 MET CA C 55.378 0.06 1 622 71 74 MET CB C 35.145 0.30 1 623 71 74 MET CE C 16.639 0.30 1 624 71 74 MET CG C 29.817 0.30 1 625 71 74 MET N N 123.552 0.30 1 626 72 75 ASP H H 8.920 0.01 1 627 72 75 ASP HA H 5.158 0.03 1 628 72 75 ASP HB2 H 2.801 0.03 2 629 72 75 ASP HB3 H 2.799 0.03 2 630 72 75 ASP C C 176.624 0.30 1 631 72 75 ASP CA C 53.190 0.30 1 632 72 75 ASP CB C 40.983 0.15 1 633 72 75 ASP N N 121.161 0.30 1 634 73 76 TYR H H 9.893 0.01 1 635 73 76 TYR HA H 4.512 0.03 1 636 73 76 TYR HB2 H 2.904 0.03 2 637 73 76 TYR HB3 H 2.904 0.03 2 638 73 76 TYR HD1 H 7.561 0.03 3 639 73 76 TYR HD2 H 7.561 0.03 3 640 73 76 TYR HE1 H 7.039 0.03 3 641 73 76 TYR HE2 H 7.039 0.03 3 642 73 76 TYR C C 176.670 0.30 1 643 73 76 TYR CA C 61.602 0.30 1 644 73 76 TYR CB C 38.860 0.30 1 645 73 76 TYR N N 130.742 0.10 1 646 74 77 GLY H H 8.641 0.03 1 647 74 77 GLY HA2 H 3.914 0.03 2 648 74 77 GLY HA3 H 4.118 0.03 2 649 74 77 GLY C C 176.634 0.30 1 650 74 77 GLY CA C 46.877 0.16 1 651 74 77 GLY N N 106.873 0.30 1 652 75 78 LYS H H 7.982 0.03 1 653 75 78 LYS HA H 4.137 0.05 1 654 75 78 LYS HB2 H 1.780 0.03 2 655 75 78 LYS HB3 H 1.871 0.03 2 656 75 78 LYS HD2 H 1.746 0.03 2 657 75 78 LYS HD3 H 1.746 0.03 2 658 75 78 LYS HE2 H 2.962 0.03 2 659 75 78 LYS HE3 H 2.962 0.03 2 660 75 78 LYS HG2 H 1.414 0.03 2 661 75 78 LYS HG3 H 1.414 0.03 2 662 75 78 LYS C C 178.051 0.30 1 663 75 78 LYS CA C 58.608 0.05 1 664 75 78 LYS CB C 32.435 0.06 1 665 75 78 LYS N N 122.245 0.30 1 666 76 79 HIS H H 7.898 0.03 1 667 76 79 HIS HA H 4.356 0.03 1 668 76 79 HIS HB2 H 3.070 0.03 2 669 76 79 HIS HB3 H 3.334 0.03 2 670 76 79 HIS HD2 H 6.710 0.03 1 671 76 79 HIS C C 176.765 0.30 1 672 76 79 HIS CA C 58.714 0.04 1 673 76 79 HIS CB C 29.627 0.09 1 674 76 79 HIS N N 120.018 0.30 1 675 77 80 LEU H H 8.101 0.01 1 676 77 80 LEU HA H 4.032 0.03 1 677 77 80 LEU HB2 H 1.288 0.05 2 678 77 80 LEU HB3 H 1.537 0.05 2 679 77 80 LEU HD1 H 0.728 0.05 2 680 77 80 LEU HD2 H 0.698 0.05 2 681 77 80 LEU HG H 1.208 0.05 1 682 77 80 LEU C C 178.908 0.30 1 683 77 80 LEU CA C 56.990 0.30 1 684 77 80 LEU CB C 41.775 0.30 1 685 77 80 LEU CD1 C 25.058 0.30 1 686 77 80 LEU CD2 C 22.749 0.30 1 687 77 80 LEU N N 119.214 0.30 1 688 78 81 PHE H H 7.930 0.03 1 689 78 81 PHE HA H 4.531 0.03 1 690 78 81 PHE HB2 H 3.441 0.03 2 691 78 81 PHE HB3 H 3.497 0.03 2 692 78 81 PHE HD1 H 7.252 0.05 3 693 78 81 PHE HD2 H 7.252 0.05 3 694 78 81 PHE C C 177.324 0.30 1 695 78 81 PHE CA C 60.231 0.30 1 696 78 81 PHE CB C 39.275 0.08 1 697 78 81 PHE N N 119.912 0.30 1 698 79 82 GLU H H 8.218 0.03 1 699 79 82 GLU HA H 3.975 0.03 1 700 79 82 GLU HB2 H 2.069 0.03 2 701 79 82 GLU HB3 H 2.044 0.03 2 702 79 82 GLU HG2 H 2.364 0.03 2 703 79 82 GLU HG3 H 2.424 0.03 2 704 79 82 GLU C C 178.214 0.30 1 705 79 82 GLU CA C 58.294 0.30 1 706 79 82 GLU CB C 29.532 0.09 1 707 79 82 GLU CG C 36.471 0.30 1 708 79 82 GLU N N 120.068 0.30 1 709 80 83 LYS H H 8.079 0.03 1 710 80 83 LYS HA H 4.108 0.03 1 711 80 83 LYS HB2 H 1.799 0.03 2 712 80 83 LYS HB3 H 1.799 0.03 2 713 80 83 LYS C C 178.049 0.30 1 714 80 83 LYS CA C 58.108 0.07 1 715 80 83 LYS CB C 32.195 0.30 1 716 80 83 LYS N N 120.581 0.30 1 717 81 84 LYS H H 7.958 0.03 1 718 81 84 LYS HA H 4.068 0.03 1 719 81 84 LYS HB2 H 1.711 0.03 2 720 81 84 LYS HB3 H 1.711 0.03 2 721 81 84 LYS C C 178.394 0.30 1 722 81 84 LYS CA C 57.935 0.18 1 723 81 84 LYS CB C 32.210 0.30 1 724 81 84 LYS N N 121.377 0.30 1 725 82 85 LYS H H 7.948 0.03 1 726 82 85 LYS HA H 4.060 0.03 1 727 82 85 LYS HB2 H 1.742 0.03 2 728 82 85 LYS HB3 H 1.742 0.03 2 729 82 85 LYS C C 177.810 0.30 1 730 82 85 LYS CA C 57.920 0.10 1 731 82 85 LYS CB C 32.351 0.30 1 732 82 85 LYS N N 120.928 0.30 1 733 83 86 GLN H H 8.144 0.03 1 734 83 86 GLN HA H 4.152 0.03 1 735 83 86 GLN HB2 H 2.059 0.03 2 736 83 86 GLN HB3 H 2.065 0.03 2 737 83 86 GLN HG2 H 2.425 0.03 2 738 83 86 GLN HG3 H 2.387 0.03 2 739 83 86 GLN C C 176.950 0.30 1 740 83 86 GLN CA C 56.918 0.30 1 741 83 86 GLN CB C 28.791 0.30 1 742 83 86 GLN CG C 33.733 0.30 1 743 83 86 GLN N N 119.683 0.30 1 744 84 87 ALA H H 8.060 0.03 1 745 84 87 ALA HA H 4.486 0.03 1 746 84 87 ALA HB H 1.658 0.03 1 747 84 87 ALA HB H 1.671 0.03 1 748 84 87 ALA C C 178.249 0.30 1 749 84 87 ALA CA C 53.230 0.30 1 750 84 87 ALA CB C 18.781 0.30 1 751 84 87 ALA N N 123.778 0.30 1 752 85 88 ALA H H 7.974 0.03 1 753 85 88 ALA HA H 4.521 0.03 1 754 85 88 ALA HB H 1.658 0.03 1 755 85 88 ALA HB H 1.659 0.03 1 756 85 88 ALA C C 178.635 0.30 1 757 85 88 ALA CA C 53.207 0.30 1 758 85 88 ALA CB C 18.820 0.30 1 759 85 88 ALA N N 122.307 0.30 1 760 86 89 VAL H H 7.899 0.03 1 761 86 89 VAL HA H 4.219 0.03 1 762 86 89 VAL HB H 2.338 0.03 1 763 86 89 VAL HG1 H 0.930 0.03 2 764 86 89 VAL HG2 H 0.959 0.03 2 765 86 89 VAL C C 176.519 0.30 1 766 86 89 VAL CA C 63.163 0.11 1 767 86 89 VAL CB C 32.438 0.30 1 768 86 89 VAL CG2 C 21.004 0.30 1 769 86 89 VAL N N 118.975 0.30 1 770 87 90 ALA H H 8.147 0.03 1 771 87 90 ALA HA H 4.525 0.03 1 772 87 90 ALA HB H 1.648 0.03 1 773 87 90 ALA HB H 1.652 0.03 1 774 87 90 ALA HB H 1.649 0.03 1 775 87 90 ALA C C 178.273 0.30 1 776 87 90 ALA CA C 53.055 0.30 1 777 87 90 ALA CB C 18.936 0.30 1 778 87 90 ALA N N 126.326 0.30 1 779 88 91 LYS H H 8.117 0.03 1 780 88 91 LYS CA C 56.833 0.30 1 781 88 91 LYS CB C 32.740 0.30 1 782 88 91 LYS N N 120.148 0.30 1 783 89 92 LYS H H 7.797 0.03 1 784 89 92 LYS HA H 4.270 0.03 1 785 89 92 LYS HB2 H 2.058 0.03 1 786 89 92 LYS HB3 H 2.058 0.03 1 787 89 92 LYS C C 176.067 0.30 1 788 89 92 LYS CA C 58.405 0.30 1 789 89 92 LYS CB C 28.154 0.30 1 790 89 92 LYS N N 124.015 0.30 1 791 90 93 ASN H H 8.557 0.03 1 792 90 93 ASN HA H 4.924 0.03 1 793 90 93 ASN HB2 H 3.056 0.03 2 794 90 93 ASN HB3 H 3.056 0.03 2 795 90 93 ASN C C 175.257 0.30 1 796 90 93 ASN CA C 53.424 0.09 1 797 90 93 ASN CB C 38.807 0.30 1 798 90 93 ASN N N 118.373 0.30 1 799 91 94 GLN H H 8.226 0.01 1 800 91 94 GLN HA H 4.317 0.03 1 801 91 94 GLN HB2 H 2.056 0.03 2 802 91 94 GLN HB3 H 2.056 0.03 2 803 91 94 GLN HG2 H 2.272 0.03 2 804 91 94 GLN HG3 H 2.272 0.03 2 805 91 94 GLN C C 175.943 0.30 1 806 91 94 GLN CA C 56.207 0.08 1 807 91 94 GLN CB C 29.385 0.10 1 808 91 94 GLN CG C 33.752 0.10 1 809 91 94 GLN N N 120.749 0.30 1 810 92 95 LYS H H 8.343 0.03 1 811 92 95 LYS HA H 4.303 0.05 1 812 92 95 LYS HB2 H 1.765 0.05 2 813 92 95 LYS HB3 H 1.765 0.05 2 814 92 95 LYS HD2 H 1.732 0.05 2 815 92 95 LYS HD3 H 1.732 0.05 2 816 92 95 LYS HE2 H 2.973 0.05 2 817 92 95 LYS HE3 H 2.973 0.05 2 818 92 95 LYS HG2 H 1.397 0.05 2 819 92 95 LYS HG3 H 1.397 0.05 2 820 92 95 LYS CA C 56.575 0.30 1 821 92 95 LYS CB C 32.734 0.30 1 822 92 95 LYS CD C 29.022 0.30 1 823 92 95 LYS CG C 24.566 0.30 1 824 92 95 LYS N N 122.748 0.30 1 825 93 96 GLN HA H 4.359 0.03 1 826 93 96 GLN HB2 H 2.027 0.03 2 827 93 96 GLN HB3 H 2.034 0.03 2 828 93 96 GLN HG2 H 2.346 0.03 2 829 93 96 GLN HG3 H 2.346 0.03 2 830 93 96 GLN C C 175.589 0.30 1 831 93 96 GLN CA C 55.504 0.30 1 832 93 96 GLN CB C 29.733 0.30 1 833 93 96 GLN CG C 33.798 0.30 1 834 94 97 ALA H H 8.409 0.03 1 835 94 97 ALA HA H 4.591 0.03 1 836 94 97 ALA HB H 1.667 0.03 1 837 94 97 ALA HB H 1.684 0.03 1 838 94 97 ALA C C 177.608 0.30 1 839 94 97 ALA CA C 52.693 0.30 1 840 94 97 ALA CB C 19.386 0.30 1 841 94 97 ALA N N 126.310 0.30 1 842 95 98 GLN H H 8.678 0.03 1 843 95 98 GLN HA H 4.359 0.03 1 844 95 98 GLN HB2 H 1.825 0.03 2 845 95 98 GLN HB3 H 1.991 0.03 2 846 95 98 GLN HG2 H 2.285 0.03 2 847 95 98 GLN HG3 H 2.289 0.03 2 848 95 98 GLN C C 174.935 0.30 1 849 95 98 GLN CA C 55.090 0.30 1 850 95 98 GLN CB C 30.343 0.30 1 851 95 98 GLN CG C 33.940 0.30 1 852 95 98 GLN N N 121.252 0.30 1 853 96 99 VAL H H 8.211 0.03 1 854 96 99 VAL HA H 4.398 0.03 1 855 96 99 VAL HB H 2.166 0.03 1 856 96 99 VAL HG1 H 0.824 0.03 2 857 96 99 VAL HG2 H 0.724 0.03 2 858 96 99 VAL C C 175.951 0.30 1 859 96 99 VAL CA C 61.791 0.30 1 860 96 99 VAL CB C 32.519 0.15 1 861 96 99 VAL CG1 C 21.211 0.30 1 862 96 99 VAL CG2 C 21.615 0.30 1 863 96 99 VAL N N 121.747 0.30 1 864 97 100 LYS H H 8.452 0.03 1 865 97 100 LYS HA H 4.317 0.03 1 866 97 100 LYS HB2 H 1.808 0.03 2 867 97 100 LYS HB3 H 1.808 0.03 2 868 97 100 LYS HD2 H 1.768 0.03 2 869 97 100 LYS HD3 H 1.768 0.03 2 870 97 100 LYS HG2 H 1.624 0.03 2 871 97 100 LYS HG3 H 1.624 0.03 2 872 97 100 LYS C C 174.681 0.30 1 873 97 100 LYS CA C 55.026 0.30 1 874 97 100 LYS CB C 33.176 0.30 1 875 97 100 LYS CD C 29.580 0.30 1 876 97 100 LYS CE C 42.281 0.30 1 877 97 100 LYS CG C 24.746 0.30 1 878 97 100 LYS N N 128.314 0.30 1 879 98 101 GLU H H 8.332 0.01 1 880 98 101 GLU HA H 5.532 0.03 1 881 98 101 GLU HB2 H 1.805 0.03 2 882 98 101 GLU HB3 H 1.894 0.03 2 883 98 101 GLU HG2 H 2.048 0.03 2 884 98 101 GLU HG3 H 2.048 0.03 2 885 98 101 GLU C C 175.749 0.30 1 886 98 101 GLU CA C 54.822 0.30 1 887 98 101 GLU CB C 32.919 0.15 1 888 98 101 GLU CG C 36.568 0.50 1 889 98 101 GLU N N 121.876 0.30 1 890 99 102 ILE H H 8.751 0.03 1 891 99 102 ILE HA H 4.599 0.03 1 892 99 102 ILE HB H 2.115 0.03 1 893 99 102 ILE HD1 H 0.878 0.05 1 894 99 102 ILE HG12 H 0.936 0.05 2 895 99 102 ILE HG13 H 0.938 0.05 2 896 99 102 ILE HG2 H 0.601 0.05 1 897 99 102 ILE C C 173.427 0.30 1 898 99 102 ILE CA C 59.101 0.30 1 899 99 102 ILE CB C 40.169 0.30 1 900 99 102 ILE CD1 C 11.958 0.30 1 901 99 102 ILE CG1 C 28.031 0.30 1 902 99 102 ILE CG2 C 18.190 0.30 1 903 99 102 ILE N N 127.019 0.30 1 904 100 103 LYS H H 8.326 0.01 1 905 100 103 LYS HA H 5.238 0.03 1 906 100 103 LYS HB2 H 1.656 0.03 2 907 100 103 LYS HB3 H 1.656 0.03 2 908 100 103 LYS HD2 H 1.684 0.03 2 909 100 103 LYS HD3 H 1.684 0.03 2 910 100 103 LYS HE2 H 2.824 0.03 2 911 100 103 LYS HE3 H 2.824 0.03 2 912 100 103 LYS HG2 H 1.275 0.03 2 913 100 103 LYS HG3 H 1.275 0.03 2 914 100 103 LYS C C 175.965 0.30 1 915 100 103 LYS CA C 54.931 0.30 1 916 100 103 LYS CB C 34.444 0.30 1 917 100 103 LYS CD C 29.544 0.30 1 918 100 103 LYS CE C 41.879 0.30 1 919 100 103 LYS CG C 24.874 0.30 1 920 100 103 LYS N N 125.634 0.30 1 921 101 104 PHE H H 9.153 0.03 1 922 101 104 PHE HA H 4.552 0.03 1 923 101 104 PHE HB2 H 2.849 0.03 2 924 101 104 PHE HB3 H 2.849 0.03 2 925 101 104 PHE HD1 H 7.284 0.03 3 926 101 104 PHE HD2 H 7.284 0.03 3 927 101 104 PHE HE1 H 7.198 0.03 3 928 101 104 PHE HE2 H 7.198 0.03 3 929 101 104 PHE C C 175.296 0.30 1 930 101 104 PHE CA C 57.156 0.30 1 931 101 104 PHE CB C 44.067 0.13 1 932 101 104 PHE N N 120.233 0.30 1 933 102 105 ARG H H 8.318 0.03 1 934 102 105 ARG HA H 4.909 0.03 1 935 102 105 ARG HB2 H 1.650 0.05 2 936 102 105 ARG HB3 H 1.959 0.05 2 937 102 105 ARG HD2 H 3.226 0.05 2 938 102 105 ARG HD3 H 3.226 0.05 2 939 102 105 ARG HG2 H 1.668 0.05 2 940 102 105 ARG HG3 H 1.668 0.05 2 941 102 105 ARG CA C 53.431 0.30 1 942 102 105 ARG CB C 30.390 0.30 1 943 102 105 ARG CD C 42.866 0.30 1 944 102 105 ARG CG C 27.110 0.30 1 945 102 105 ARG N N 119.583 0.30 1 946 103 106 PRO HA H 4.226 0.05 1 947 103 106 PRO HB2 H 2.010 0.05 2 948 103 106 PRO HB3 H 2.010 0.05 2 949 103 106 PRO HD2 H 3.649 0.05 2 950 103 106 PRO HD3 H 3.649 0.05 2 951 103 106 PRO C C 176.883 0.30 1 952 103 106 PRO CA C 64.399 0.30 1 953 103 106 PRO CB C 31.576 0.30 1 954 103 106 PRO CG C 28.515 0.30 1 955 104 107 GLY H H 8.715 0.03 1 956 104 107 GLY HA2 H 4.178 0.03 2 957 104 107 GLY HA3 H 4.232 0.03 2 958 104 107 GLY C C 174.889 0.30 1 959 104 107 GLY CA C 45.679 0.30 1 960 104 107 GLY N N 108.254 0.30 1 961 105 108 THR H H 7.579 0.03 1 962 105 108 THR HA H 4.445 0.03 1 963 105 108 THR HB H 4.415 0.03 1 964 105 108 THR HG2 H 1.542 0.03 1 965 105 108 THR C C 174.260 0.30 1 966 105 108 THR CA C 64.640 0.08 1 967 105 108 THR CB C 70.564 0.08 1 968 105 108 THR CG2 C 21.790 0.08 1 969 105 108 THR N N 116.790 0.30 1 970 106 109 GLU H H 9.141 0.03 1 971 106 109 GLU HA H 4.417 0.03 1 972 106 109 GLU HB2 H 2.369 0.03 2 973 106 109 GLU HB3 H 2.105 0.03 2 974 106 109 GLU HG2 H 2.512 0.03 2 975 106 109 GLU HG3 H 2.665 0.03 2 976 106 109 GLU C C 177.403 0.30 1 977 106 109 GLU CA C 56.619 0.30 1 978 106 109 GLU CB C 30.721 0.30 1 979 106 109 GLU CG C 36.706 0.30 1 980 106 109 GLU N N 129.045 0.30 1 981 107 110 GLU H H 8.826 0.03 1 982 107 110 GLU HA H 4.257 0.03 1 983 107 110 GLU HB2 H 1.898 0.03 2 984 107 110 GLU HB3 H 2.154 0.03 2 985 107 110 GLU HG2 H 2.328 0.03 2 986 107 110 GLU HG3 H 2.447 0.03 2 987 107 110 GLU C C 178.330 0.30 1 988 107 110 GLU CA C 59.439 0.15 1 989 107 110 GLU CB C 29.298 0.30 1 990 107 110 GLU CG C 34.864 0.30 1 991 107 110 GLU N N 123.170 0.30 1 992 108 111 GLY H H 8.904 0.03 1 993 108 111 GLY HA2 H 4.143 0.03 2 994 108 111 GLY HA3 H 4.143 0.03 2 995 108 111 GLY C C 176.636 0.30 1 996 108 111 GLY CA C 47.344 0.30 1 997 108 111 GLY N N 106.663 0.30 1 998 109 112 ASP H H 7.379 0.03 1 999 109 112 ASP HA H 4.825 0.03 1 1000 109 112 ASP HB2 H 3.002 0.03 2 1001 109 112 ASP HB3 H 3.002 0.03 2 1002 109 112 ASP CA C 56.650 0.30 1 1003 109 112 ASP CB C 41.559 0.30 1 1004 109 112 ASP N N 121.707 0.30 1 1005 110 113 TYR H H 8.690 0.03 1 1006 110 113 TYR HA H 3.923 0.05 1 1007 110 113 TYR HB2 H 2.888 0.05 2 1008 110 113 TYR HB3 H 3.449 0.05 2 1009 110 113 TYR HD1 H 6.790 0.05 3 1010 110 113 TYR HD2 H 7.059 0.05 3 1011 110 113 TYR HE1 H 7.276 0.05 3 1012 110 113 TYR HE2 H 7.276 0.05 3 1013 110 113 TYR C C 176.785 0.30 1 1014 110 113 TYR CA C 63.293 0.30 1 1015 110 113 TYR CB C 38.367 0.30 1 1016 110 113 TYR N N 121.081 0.30 1 1017 111 114 GLN H H 8.481 0.03 1 1018 111 114 GLN HA H 3.872 0.03 1 1019 111 114 GLN HB2 H 2.226 0.03 2 1020 111 114 GLN HB3 H 2.226 0.03 2 1021 111 114 GLN HG2 H 2.743 0.03 2 1022 111 114 GLN HG3 H 2.818 0.03 2 1023 111 114 GLN C C 179.350 0.30 1 1024 111 114 GLN CA C 58.741 0.30 1 1025 111 114 GLN CB C 27.631 0.30 1 1026 111 114 GLN CG C 33.460 0.30 1 1027 111 114 GLN N N 115.036 0.30 1 1028 112 115 VAL H H 7.523 0.03 1 1029 112 115 VAL HA H 3.801 0.03 1 1030 112 115 VAL HB H 2.429 0.03 1 1031 112 115 VAL HG1 H 0.880 0.03 2 1032 112 115 VAL HG2 H 1.070 0.03 2 1033 112 115 VAL C C 178.422 0.30 1 1034 112 115 VAL CA C 66.792 0.30 1 1035 112 115 VAL CB C 31.916 0.12 1 1036 112 115 VAL CG1 C 20.935 0.12 1 1037 112 115 VAL CG2 C 22.709 0.12 1 1038 112 115 VAL N N 120.521 0.30 1 1039 113 116 LYS H H 7.790 0.01 1 1040 113 116 LYS HA H 3.778 0.03 1 1041 113 116 LYS HB2 H 1.220 0.03 2 1042 113 116 LYS HB3 H 1.647 0.03 2 1043 113 116 LYS HD2 H 1.668 0.03 2 1044 113 116 LYS HD3 H 1.668 0.03 2 1045 113 116 LYS HE2 H 3.141 0.03 2 1046 113 116 LYS HE3 H 3.141 0.03 2 1047 113 116 LYS HG2 H 1.134 0.03 2 1048 113 116 LYS HG3 H 1.134 0.03 2 1049 113 116 LYS C C 178.748 0.30 1 1050 113 116 LYS CA C 60.351 0.30 1 1051 113 116 LYS CB C 33.218 0.30 1 1052 113 116 LYS CD C 29.295 0.30 1 1053 113 116 LYS CE C 43.168 0.30 1 1054 113 116 LYS CG C 27.204 0.30 1 1055 113 116 LYS N N 120.814 0.30 1 1056 114 117 LEU H H 8.827 0.01 1 1057 114 117 LEU HA H 4.120 0.03 1 1058 114 117 LEU HB2 H 1.418 0.03 2 1059 114 117 LEU HB3 H 1.418 0.03 2 1060 114 117 LEU HD1 H 0.876 0.05 2 1061 114 117 LEU HD2 H 0.850 0.05 2 1062 114 117 LEU HG H 1.551 0.05 1 1063 114 117 LEU C C 178.608 0.30 1 1064 114 117 LEU CA C 57.553 0.11 1 1065 114 117 LEU CB C 40.724 0.30 1 1066 114 117 LEU CD1 C 24.798 0.50 1 1067 114 117 LEU CD2 C 23.947 0.50 1 1068 114 117 LEU CG C 27.156 0.50 1 1069 114 117 LEU N N 120.905 0.30 1 1070 115 118 ARG H H 7.787 0.03 1 1071 115 118 ARG HA H 3.788 0.03 1 1072 115 118 ARG HB2 H 1.886 0.03 2 1073 115 118 ARG HB3 H 1.886 0.03 2 1074 115 118 ARG C C 179.676 0.30 1 1075 115 118 ARG CA C 59.477 0.18 1 1076 115 118 ARG CB C 29.409 0.30 1 1077 115 118 ARG CD C 43.487 0.30 1 1078 115 118 ARG CG C 27.473 0.30 1 1079 115 118 ARG N N 117.352 0.12 1 1080 116 119 ASN H H 7.559 0.03 1 1081 116 119 ASN HA H 4.320 0.03 1 1082 116 119 ASN HB2 H 2.936 0.03 2 1083 116 119 ASN HB3 H 2.936 0.03 2 1084 116 119 ASN C C 175.527 0.30 1 1085 116 119 ASN CA C 55.642 0.14 1 1086 116 119 ASN CB C 37.906 0.30 1 1087 116 119 ASN N N 119.091 0.30 1 1088 117 120 LEU H H 7.935 0.01 1 1089 117 120 LEU HA H 3.890 0.03 1 1090 117 120 LEU HB2 H 1.307 0.05 2 1091 117 120 LEU HB3 H 1.307 0.05 2 1092 117 120 LEU HD1 H 0.784 0.05 2 1093 117 120 LEU HD2 H 0.874 0.05 2 1094 117 120 LEU HG H 1.667 0.05 1 1095 117 120 LEU C C 178.062 0.30 1 1096 117 120 LEU CA C 58.673 0.12 1 1097 117 120 LEU CB C 42.408 0.30 1 1098 117 120 LEU CD1 C 25.558 0.50 1 1099 117 120 LEU CD2 C 25.795 0.50 1 1100 117 120 LEU CG C 27.301 0.50 1 1101 117 120 LEU N N 120.462 0.30 1 1102 118 121 VAL H H 8.296 0.01 1 1103 118 121 VAL HA H 3.140 0.03 1 1104 118 121 VAL HB H 2.025 0.03 1 1105 118 121 VAL HG1 H 0.117 0.03 2 1106 118 121 VAL HG2 H 0.557 0.03 2 1107 118 121 VAL C C 178.768 0.30 1 1108 118 121 VAL CA C 67.311 0.30 1 1109 118 121 VAL CB C 31.112 0.30 1 1110 118 121 VAL CG1 C 19.912 0.30 1 1111 118 121 VAL CG2 C 23.096 0.30 1 1112 118 121 VAL N N 118.012 0.30 1 1113 119 122 ARG H H 7.550 0.01 1 1114 119 122 ARG HA H 3.906 0.03 1 1115 119 122 ARG HB2 H 1.926 0.03 2 1116 119 122 ARG HB3 H 1.926 0.03 2 1117 119 122 ARG HD2 H 3.139 0.03 2 1118 119 122 ARG HD3 H 3.139 0.03 2 1119 119 122 ARG HG2 H 1.552 0.03 2 1120 119 122 ARG HG3 H 1.552 0.03 2 1121 119 122 ARG C C 178.525 0.30 1 1122 119 122 ARG CA C 60.108 0.30 1 1123 119 122 ARG CB C 29.128 0.30 1 1124 119 122 ARG CD C 43.477 0.30 1 1125 119 122 ARG CG C 27.234 0.30 1 1126 119 122 ARG N N 121.997 0.30 1 1127 120 123 PHE H H 8.220 0.03 1 1128 120 123 PHE HA H 4.152 0.03 1 1129 120 123 PHE HB2 H 3.083 0.03 2 1130 120 123 PHE HB3 H 3.083 0.03 2 1131 120 123 PHE HD1 H 7.079 0.05 3 1132 120 123 PHE HD2 H 7.079 0.05 3 1133 120 123 PHE HE1 H 7.084 0.05 3 1134 120 123 PHE HE2 H 7.084 0.05 3 1135 120 123 PHE C C 178.873 0.30 1 1136 120 123 PHE CA C 57.489 0.30 1 1137 120 123 PHE CB C 37.367 0.10 1 1138 120 123 PHE N N 118.129 0.30 1 1139 121 124 LEU H H 8.216 0.03 1 1140 121 124 LEU HA H 4.910 0.03 1 1141 121 124 LEU HB2 H 1.536 0.05 2 1142 121 124 LEU HB3 H 1.801 0.05 2 1143 121 124 LEU HD1 H 0.731 0.05 2 1144 121 124 LEU HD2 H 0.884 0.05 2 1145 121 124 LEU C C 182.361 0.30 1 1146 121 124 LEU CA C 57.739 0.30 1 1147 121 124 LEU CB C 42.299 0.30 1 1148 121 124 LEU CD1 C 28.034 0.50 1 1149 121 124 LEU CD2 C 22.265 0.50 1 1150 121 124 LEU CG C 27.881 0.50 1 1151 121 124 LEU N N 117.920 0.11 1 1152 122 125 SER H H 8.755 0.03 1 1153 122 125 SER HA H 4.653 0.03 1 1154 122 125 SER HB2 H 4.257 0.03 2 1155 122 125 SER HB3 H 4.384 0.03 2 1156 122 125 SER C C 175.650 0.30 1 1157 122 125 SER CA C 62.042 0.12 1 1158 122 125 SER CB C 63.047 0.30 1 1159 122 125 SER N N 117.824 0.30 1 1160 123 126 GLU H H 7.866 0.03 1 1161 123 126 GLU HA H 4.305 0.03 1 1162 123 126 GLU HB2 H 2.257 0.03 2 1163 123 126 GLU HB3 H 2.275 0.03 2 1164 123 126 GLU HG2 H 2.664 0.03 2 1165 123 126 GLU HG3 H 2.664 0.03 2 1166 123 126 GLU C C 176.661 0.30 1 1167 123 126 GLU CA C 56.695 0.30 1 1168 123 126 GLU CB C 29.444 0.30 1 1169 123 126 GLU CG C 36.916 0.30 1 1170 123 126 GLU N N 120.012 0.30 1 1171 124 127 GLY H H 7.967 0.03 1 1172 124 127 GLY HA2 H 4.105 0.03 2 1173 124 127 GLY HA3 H 4.726 0.03 2 1174 124 127 GLY C C 173.635 0.30 1 1175 124 127 GLY CA C 45.522 0.30 1 1176 124 127 GLY N N 107.063 0.30 1 1177 125 128 ASP H H 8.129 0.02 1 1178 125 128 ASP HA H 5.246 0.03 1 1179 125 128 ASP HB2 H 2.597 0.03 2 1180 125 128 ASP HB3 H 2.863 0.03 2 1181 125 128 ASP C C 174.127 0.30 1 1182 125 128 ASP CA C 54.175 0.30 1 1183 125 128 ASP CB C 42.466 0.11 1 1184 125 128 ASP N N 122.379 0.30 1 1185 126 129 LYS H H 7.952 0.01 1 1186 126 129 LYS HA H 4.600 0.03 1 1187 126 129 LYS HB2 H 1.640 0.03 2 1188 126 129 LYS HB3 H 1.640 0.03 2 1189 126 129 LYS HD2 H 1.777 0.03 2 1190 126 129 LYS HD3 H 1.777 0.03 2 1191 126 129 LYS HE2 H 3.019 0.03 2 1192 126 129 LYS HE3 H 3.019 0.03 2 1193 126 129 LYS HG2 H 1.523 0.03 2 1194 126 129 LYS HG3 H 1.523 0.03 2 1195 126 129 LYS C C 175.066 0.30 1 1196 126 129 LYS CA C 56.038 0.20 1 1197 126 129 LYS CB C 34.829 0.30 1 1198 126 129 LYS CD C 30.063 0.30 1 1199 126 129 LYS CE C 42.398 0.30 1 1200 126 129 LYS CG C 26.726 0.30 1 1201 126 129 LYS N N 113.846 0.30 1 1202 127 130 ALA H H 8.765 0.01 1 1203 127 130 ALA HA H 5.474 0.03 1 1204 127 130 ALA HB H 1.439 0.03 1 1205 127 130 ALA HB H 1.443 0.03 1 1206 127 130 ALA HB H 1.456 0.03 1 1207 127 130 ALA C C 175.040 0.30 1 1208 127 130 ALA CA C 49.985 0.15 1 1209 127 130 ALA CB C 22.285 0.30 1 1210 127 130 ALA N N 120.620 0.30 1 1211 128 131 LYS H H 9.148 0.01 1 1212 128 131 LYS HA H 5.055 0.03 1 1213 128 131 LYS HB2 H 1.610 0.03 2 1214 128 131 LYS HB3 H 1.610 0.03 2 1215 128 131 LYS HE2 H 2.771 0.03 2 1216 128 131 LYS HE3 H 2.771 0.03 2 1217 128 131 LYS HG2 H 1.391 0.03 2 1218 128 131 LYS HG3 H 1.391 0.03 2 1219 128 131 LYS C C 174.494 0.30 1 1220 128 131 LYS CA C 54.734 0.30 1 1221 128 131 LYS CB C 34.503 0.11 1 1222 128 131 LYS CD C 29.939 0.11 1 1223 128 131 LYS CE C 41.893 0.11 1 1224 128 131 LYS CG C 25.193 0.11 1 1225 128 131 LYS N N 124.968 0.30 1 1226 129 132 VAL H H 8.935 0.01 1 1227 129 132 VAL HA H 5.306 0.03 1 1228 129 132 VAL HB H 2.159 0.03 1 1229 129 132 VAL HG1 H 0.870 0.03 2 1230 129 132 VAL HG2 H 0.925 0.03 2 1231 129 132 VAL C C 174.582 0.30 1 1232 129 132 VAL CA C 60.752 0.30 1 1233 129 132 VAL CB C 33.377 0.23 1 1234 129 132 VAL CG1 C 21.935 0.30 1 1235 129 132 VAL CG2 C 22.757 0.30 1 1236 129 132 VAL N N 127.258 0.30 1 1237 130 133 SER H H 8.776 0.01 1 1238 130 133 SER HA H 5.855 0.03 1 1239 130 133 SER HB2 H 3.983 0.03 2 1240 130 133 SER HB3 H 3.983 0.03 2 1241 130 133 SER C C 172.430 0.30 1 1242 130 133 SER CA C 55.890 0.30 1 1243 130 133 SER CB C 67.133 0.30 1 1244 130 133 SER N N 120.273 0.10 1 1245 131 134 LEU H H 8.930 0.01 1 1246 131 134 LEU HA H 4.976 0.05 1 1247 131 134 LEU HB2 H 1.438 0.05 2 1248 131 134 LEU HB3 H 1.438 0.05 2 1249 131 134 LEU HD1 H 0.365 0.05 2 1250 131 134 LEU HD2 H 0.589 0.05 2 1251 131 134 LEU HG H 0.368 0.05 1 1252 131 134 LEU C C 174.309 0.30 1 1253 131 134 LEU CA C 54.161 0.30 1 1254 131 134 LEU CB C 45.292 0.30 1 1255 131 134 LEU CD1 C 25.870 0.30 1 1256 131 134 LEU CD2 C 26.956 0.30 1 1257 131 134 LEU CG C 27.355 0.30 1 1258 131 134 LEU N N 123.535 0.30 1 1259 132 135 ARG H H 8.164 0.01 1 1260 132 135 ARG HA H 4.877 0.03 1 1261 132 135 ARG HB2 H 1.775 0.03 2 1262 132 135 ARG HB3 H 1.775 0.03 2 1263 132 135 ARG HD2 H 3.155 0.03 2 1264 132 135 ARG HD3 H 3.155 0.03 2 1265 132 135 ARG HG2 H 1.545 0.03 2 1266 132 135 ARG HG3 H 1.545 0.03 2 1267 132 135 ARG C C 174.936 0.30 1 1268 132 135 ARG CA C 54.634 0.12 1 1269 132 135 ARG CB C 32.197 0.30 1 1270 132 135 ARG CD C 43.401 0.12 1 1271 132 135 ARG CG C 27.531 0.30 1 1272 132 135 ARG N N 125.071 0.30 1 1273 133 136 PHE H H 8.611 0.03 1 1274 133 136 PHE HA H 5.068 0.03 1 1275 133 136 PHE HB2 H 2.960 0.03 2 1276 133 136 PHE HB3 H 3.120 0.03 2 1277 133 136 PHE HD1 H 7.195 0.03 3 1278 133 136 PHE HD2 H 7.195 0.03 3 1279 133 136 PHE HE1 H 7.202 0.03 3 1280 133 136 PHE HE2 H 7.202 0.03 3 1281 133 136 PHE C C 175.968 0.30 1 1282 133 136 PHE CA C 57.311 0.14 1 1283 133 136 PHE CB C 40.882 0.23 1 1284 133 136 PHE N N 123.488 0.30 1 1285 134 137 ARG H H 9.307 0.02 1 1286 134 137 ARG HA H 4.537 0.02 1 1287 134 137 ARG HB2 H 1.683 0.02 1 1288 134 137 ARG HB3 H 1.683 0.02 1 1289 134 137 ARG C C 177.265 0.30 1 1290 134 137 ARG CA C 55.687 0.14 1 1291 134 137 ARG CB C 31.687 0.30 1 1292 134 137 ARG N N 122.838 0.12 1 1293 135 138 GLY H H 8.831 0.01 1 1294 135 138 GLY HA2 H 3.622 0.03 2 1295 135 138 GLY HA3 H 4.507 0.03 2 1296 135 138 GLY C C 173.897 0.30 1 1297 135 138 GLY CA C 46.968 0.07 1 1298 135 138 GLY N N 111.676 0.30 1 1299 136 139 ARG H H 8.254 0.03 1 1300 136 139 ARG HA H 4.341 0.03 1 1301 136 139 ARG HB2 H 1.967 0.03 2 1302 136 139 ARG HB3 H 1.967 0.03 2 1303 136 139 ARG HD2 H 3.205 0.03 2 1304 136 139 ARG HD3 H 3.205 0.03 2 1305 136 139 ARG HG2 H 1.732 0.03 2 1306 136 139 ARG HG3 H 1.732 0.03 2 1307 136 139 ARG C C 177.378 0.30 1 1308 136 139 ARG CA C 57.297 0.30 1 1309 136 139 ARG CB C 29.810 0.30 1 1310 136 139 ARG CD C 43.381 0.30 1 1311 136 139 ARG CG C 27.025 0.30 1 1312 136 139 ARG N N 120.048 0.30 1 1313 137 140 GLU H H 8.309 0.01 1 1314 137 140 GLU HA H 4.273 0.05 1 1315 137 140 GLU HB2 H 2.281 0.05 1 1316 137 140 GLU HB3 H 2.281 0.05 1 1317 137 140 GLU HG2 H 2.421 0.05 1 1318 137 140 GLU HG3 H 2.421 0.05 1 1319 137 140 GLU C C 178.051 0.30 1 1320 137 140 GLU CA C 57.443 0.20 1 1321 137 140 GLU CB C 30.294 0.30 1 1322 137 140 GLU CG C 36.579 0.30 1 1323 137 140 GLU N N 119.663 0.30 1 1324 138 141 MET H H 7.892 0.03 1 1325 138 141 MET HA H 4.124 0.03 1 1326 138 141 MET HB2 H 1.947 0.03 2 1327 138 141 MET HB3 H 1.944 0.03 2 1328 138 141 MET HE H 1.975 0.03 1 1329 138 141 MET HG2 H 2.311 0.03 2 1330 138 141 MET HG3 H 2.305 0.03 2 1331 138 141 MET C C 176.588 0.30 1 1332 138 141 MET CA C 56.597 0.30 1 1333 138 141 MET CB C 31.800 0.30 1 1334 138 141 MET CE C 17.575 0.30 1 1335 138 141 MET CG C 32.492 0.30 1 1336 138 141 MET N N 118.562 0.30 1 1337 139 142 ALA H H 7.813 0.01 1 1338 139 142 ALA HA H 4.391 0.03 1 1339 139 142 ALA HB H 1.499 0.03 1 1340 139 142 ALA C C 177.670 0.30 1 1341 139 142 ALA CA C 53.164 0.30 1 1342 139 142 ALA CB C 18.623 0.30 1 1343 139 142 ALA N N 120.886 0.12 1 1344 140 143 HIS H H 7.673 0.01 1 1345 140 143 HIS HA H 5.000 0.05 1 1346 140 143 HIS HB2 H 3.024 0.05 2 1347 140 143 HIS HB3 H 3.316 0.05 2 1348 140 143 HIS HD2 H 7.134 0.05 1 1349 140 143 HIS C C 176.480 0.50 1 1350 140 143 HIS CA C 54.912 0.30 1 1351 140 143 HIS CB C 29.152 0.30 1 1352 140 143 HIS N N 117.157 0.30 1 1353 141 144 GLN H H 8.152 0.03 1 1354 141 144 GLN HA H 3.850 0.03 1 1355 141 144 GLN HB2 H 2.007 0.03 2 1356 141 144 GLN HB3 H 2.007 0.03 2 1357 141 144 GLN HG2 H 2.115 0.03 2 1358 141 144 GLN HG3 H 2.115 0.03 2 1359 141 144 GLN C C 178.112 0.30 1 1360 141 144 GLN CA C 58.698 0.30 1 1361 141 144 GLN CB C 28.250 0.30 1 1362 141 144 GLN CG C 33.513 0.30 1 1363 141 144 GLN N N 125.501 0.30 1 1364 142 145 GLU H H 9.498 0.03 1 1365 142 145 GLU HA H 4.137 0.03 1 1366 142 145 GLU HB2 H 2.111 0.03 2 1367 142 145 GLU HB3 H 2.111 0.03 2 1368 142 145 GLU HG2 H 2.407 0.03 2 1369 142 145 GLU HG3 H 2.328 0.03 2 1370 142 145 GLU C C 178.424 0.30 1 1371 142 145 GLU CA C 59.735 0.14 1 1372 142 145 GLU CB C 28.053 0.30 1 1373 142 145 GLU CG C 36.019 0.30 1 1374 142 145 GLU N N 121.030 0.30 1 1375 143 146 LEU H H 7.792 0.03 1 1376 143 146 LEU HA H 4.473 0.03 1 1377 143 146 LEU HB2 H 1.647 0.05 2 1378 143 146 LEU HB3 H 1.857 0.05 2 1379 143 146 LEU HG H 1.763 0.05 1 1380 143 146 LEU HD1 H 0.899 0.05 2 1381 143 146 LEU HD2 H 0.963 0.05 2 1382 143 146 LEU C C 180.651 0.30 1 1383 143 146 LEU CA C 57.691 0.11 1 1384 143 146 LEU CB C 42.105 0.30 1 1385 143 146 LEU CD1 C 23.289 0.30 1 1386 143 146 LEU CD2 C 24.834 0.30 1 1387 143 146 LEU CG C 27.246 0.30 1 1388 143 146 LEU N N 119.958 0.30 1 1389 144 147 GLY H H 8.122 0.01 1 1390 144 147 GLY C C 174.369 0.30 1 1391 144 147 GLY CA C 47.414 0.30 1 1392 144 147 GLY N N 106.145 0.30 1 1393 145 148 MET H H 8.080 0.03 1 1394 145 148 MET HA H 4.516 0.03 1 1395 145 148 MET HB2 H 2.403 0.03 2 1396 145 148 MET HB3 H 1.966 0.03 2 1397 145 148 MET HE H 2.093 0.03 1 1398 145 148 MET C C 178.640 0.30 1 1399 145 148 MET CA C 57.847 0.13 1 1400 145 148 MET CB C 30.944 0.30 1 1401 145 148 MET CE C 16.952 0.30 1 1402 145 148 MET N N 120.918 0.15 1 1403 146 149 GLU H H 8.253 0.03 1 1404 146 149 GLU HA H 3.923 0.03 1 1405 146 149 GLU HB2 H 2.039 0.03 2 1406 146 149 GLU HB3 H 2.047 0.03 2 1407 146 149 GLU HG2 H 2.383 0.03 2 1408 146 149 GLU HG3 H 2.284 0.03 2 1409 146 149 GLU C C 179.050 0.30 1 1410 146 149 GLU CA C 59.388 0.15 1 1411 146 149 GLU CB C 29.244 0.30 1 1412 146 149 GLU CG C 36.234 0.30 1 1413 146 149 GLU N N 118.208 0.20 1 1414 147 150 LEU H H 7.334 0.03 1 1415 147 150 LEU HA H 4.435 0.03 1 1416 147 150 LEU HB2 H 1.794 0.03 2 1417 147 150 LEU HB3 H 1.794 0.03 2 1418 147 150 LEU HD1 H 0.582 0.03 2 1419 147 150 LEU HD2 H 0.832 0.03 2 1420 147 150 LEU HG H 1.363 0.03 1 1421 147 150 LEU C C 178.524 0.30 1 1422 147 150 LEU CA C 58.278 0.30 1 1423 147 150 LEU CB C 41.084 0.10 1 1424 147 150 LEU CD1 C 25.365 0.30 1 1425 147 150 LEU CD2 C 24.480 0.30 1 1426 147 150 LEU CG C 27.803 0.30 1 1427 147 150 LEU N N 122.005 0.30 1 1428 148 151 LEU H H 7.713 0.03 1 1429 148 151 LEU HA H 4.111 0.03 1 1430 148 151 LEU HB2 H 1.767 0.05 2 1431 148 151 LEU HB3 H 1.735 0.05 2 1432 148 151 LEU HD1 H 0.605 0.05 2 1433 148 151 LEU HD2 H 0.747 0.05 2 1434 148 151 LEU C C 179.425 0.30 1 1435 148 151 LEU CA C 58.506 0.30 1 1436 148 151 LEU CB C 39.605 0.30 1 1437 148 151 LEU CD1 C 22.736 0.30 1 1438 148 151 LEU CD2 C 26.184 0.30 1 1439 148 151 LEU N N 117.557 0.30 1 1440 149 152 LYS H H 8.194 0.01 1 1441 149 152 LYS HA H 4.153 0.03 1 1442 149 152 LYS HB2 H 1.934 0.03 2 1443 149 152 LYS HB3 H 1.934 0.03 2 1444 149 152 LYS HD2 H 1.652 0.03 2 1445 149 152 LYS HD3 H 1.652 0.03 2 1446 149 152 LYS HE2 H 2.918 0.03 2 1447 149 152 LYS HE3 H 2.918 0.03 2 1448 149 152 LYS HG2 H 1.473 0.03 2 1449 149 152 LYS HG3 H 1.473 0.03 2 1450 149 152 LYS C C 179.335 0.30 1 1451 149 152 LYS CA C 59.067 0.10 1 1452 149 152 LYS CB C 31.796 0.30 1 1453 149 152 LYS CD C 28.764 0.30 1 1454 149 152 LYS CE C 41.867 0.30 1 1455 149 152 LYS CG C 25.052 0.30 1 1456 149 152 LYS N N 119.555 0.30 1 1457 150 153 ARG H H 7.800 0.03 1 1458 150 153 ARG HA H 3.954 0.03 1 1459 150 153 ARG HB2 H 1.875 0.03 2 1460 150 153 ARG HB3 H 1.875 0.03 2 1461 150 153 ARG HD2 H 2.817 0.03 2 1462 150 153 ARG HD3 H 2.817 0.03 2 1463 150 153 ARG HG2 H 1.705 0.05 2 1464 150 153 ARG HG3 H 1.745 0.05 2 1465 150 153 ARG C C 177.744 0.30 1 1466 150 153 ARG CA C 59.759 0.11 1 1467 150 153 ARG CB C 29.800 0.25 1 1468 150 153 ARG CD C 38.305 0.31 1 1469 150 153 ARG CG C 26.333 0.25 1 1470 150 153 ARG N N 123.981 0.30 1 1471 151 154 VAL H H 8.136 0.01 1 1472 151 154 VAL HA H 3.917 0.03 1 1473 151 154 VAL HB H 2.314 0.03 1 1474 151 154 VAL HG1 H 0.703 0.05 2 1475 151 154 VAL HG2 H 0.785 0.05 2 1476 151 154 VAL C C 177.514 0.30 1 1477 151 154 VAL CA C 66.461 0.10 1 1478 151 154 VAL CB C 31.625 0.30 1 1479 151 154 VAL CG1 C 22.799 0.30 1 1480 151 154 VAL CG2 C 26.372 0.30 1 1481 151 154 VAL N N 119.788 0.10 1 1482 152 155 GLU H H 7.856 0.03 1 1483 152 155 GLU HA H 3.516 0.03 1 1484 152 155 GLU HB2 H 1.853 0.03 1 1485 152 155 GLU HB3 H 1.853 0.03 1 1486 152 155 GLU HG2 H 2.162 0.03 1 1487 152 155 GLU HG3 H 2.222 0.03 1 1488 152 155 GLU C C 179.018 0.30 1 1489 152 155 GLU CA C 60.181 0.30 1 1490 152 155 GLU CB C 29.570 0.12 1 1491 152 155 GLU CG C 35.594 0.12 1 1492 152 155 GLU N N 116.609 0.30 1 1493 153 156 ALA H H 7.865 0.03 1 1494 153 156 ALA HA H 4.445 0.03 1 1495 153 156 ALA HB H 1.771 0.03 1 1496 153 156 ALA C C 181.129 0.30 1 1497 153 156 ALA CA C 55.091 0.30 1 1498 153 156 ALA CB C 18.187 0.30 1 1499 153 156 ALA N N 121.031 0.30 1 1500 154 157 ASP H H 8.835 0.03 1 1501 154 157 ASP HA H 4.934 0.03 1 1502 154 157 ASP HB2 H 3.119 0.03 2 1503 154 157 ASP HB3 H 3.119 0.03 2 1504 154 157 ASP C C 178.635 0.30 1 1505 154 157 ASP CA C 56.439 0.30 1 1506 154 157 ASP CB C 41.187 0.30 1 1507 154 157 ASP N N 119.052 0.30 1 1508 155 158 LEU H H 7.756 0.03 1 1509 155 158 LEU HA H 5.083 0.03 1 1510 155 158 LEU HB2 H 1.684 0.05 2 1511 155 158 LEU HB3 H 1.684 0.05 2 1512 155 158 LEU HD1 H 0.728 0.05 2 1513 155 158 LEU HD2 H 0.709 0.05 2 1514 155 158 LEU C C 177.973 0.30 1 1515 155 158 LEU CA C 53.984 0.27 1 1516 155 158 LEU CB C 42.787 0.09 1 1517 155 158 LEU CD1 C 24.028 0.30 1 1518 155 158 LEU CD2 C 27.908 0.30 1 1519 155 158 LEU CG C 25.589 0.30 1 1520 155 158 LEU N N 118.410 0.30 1 1521 156 159 VAL H H 7.357 0.03 1 1522 156 159 VAL HA H 4.461 0.03 1 1523 156 159 VAL HB H 2.592 0.03 1 1524 156 159 VAL HG1 H 1.141 0.05 2 1525 156 159 VAL HG2 H 1.166 0.05 2 1526 156 159 VAL C C 176.505 0.30 1 1527 156 159 VAL CA C 66.064 0.30 1 1528 156 159 VAL CB C 31.981 0.30 1 1529 156 159 VAL CG1 C 20.875 0.30 1 1530 156 159 VAL CG2 C 21.412 0.30 1 1531 156 159 VAL N N 121.778 0.30 1 1532 157 160 GLU H H 8.774 0.03 1 1533 157 160 GLU HA H 4.045 0.03 1 1534 157 160 GLU HB2 H 1.392 0.03 2 1535 157 160 GLU HB3 H 1.471 0.03 2 1536 157 160 GLU HG2 H 1.932 0.03 2 1537 157 160 GLU HG3 H 2.055 0.03 2 1538 157 160 GLU C C 176.570 0.30 1 1539 157 160 GLU CA C 57.628 0.12 1 1540 157 160 GLU CB C 29.098 0.30 1 1541 157 160 GLU CG C 36.312 0.30 1 1542 157 160 GLU N N 117.212 0.30 1 1543 158 161 TYR H H 7.984 0.01 1 1544 158 161 TYR HA H 4.615 0.03 1 1545 158 161 TYR HB2 H 3.276 0.03 2 1546 158 161 TYR HB3 H 3.504 0.03 2 1547 158 161 TYR HD1 H 7.028 0.05 3 1548 158 161 TYR HD2 H 7.028 0.05 3 1549 158 161 TYR HE1 H 6.844 0.05 3 1550 158 161 TYR HE2 H 6.844 0.05 3 1551 158 161 TYR C C 176.277 0.30 1 1552 158 161 TYR CA C 58.720 0.30 1 1553 158 161 TYR CB C 42.659 0.30 1 1554 158 161 TYR N N 114.387 0.30 1 1555 159 162 GLY H H 8.614 0.01 1 1556 159 162 GLY HA2 H 5.258 0.03 2 1557 159 162 GLY HA3 H 3.842 0.03 2 1558 159 162 GLY C C 170.651 0.30 1 1559 159 162 GLY CA C 46.022 0.19 1 1560 159 162 GLY N N 107.787 0.30 1 1561 160 163 THR H H 9.124 0.03 1 1562 160 163 THR HA H 4.905 0.03 1 1563 160 163 THR HB H 4.146 0.03 1 1564 160 163 THR HG2 H 1.172 0.03 1 1565 160 163 THR C C 173.631 0.30 1 1566 160 163 THR CA C 59.992 0.30 1 1567 160 163 THR CB C 71.427 0.30 1 1568 160 163 THR CG2 C 21.770 0.30 1 1569 160 163 THR N N 114.949 0.30 1 1570 161 164 VAL H H 9.166 0.03 1 1571 161 164 VAL HA H 4.057 0.03 1 1572 161 164 VAL HB H 2.046 0.03 1 1573 161 164 VAL HG1 H 0.363 0.05 2 1574 161 164 VAL HG2 H 0.845 0.05 2 1575 161 164 VAL C C 174.725 0.30 1 1576 161 164 VAL CA C 64.738 0.30 1 1577 161 164 VAL CB C 31.243 0.30 1 1578 161 164 VAL CG1 C 20.861 0.30 1 1579 161 164 VAL CG2 C 22.358 0.50 1 1580 161 164 VAL N N 127.282 0.10 1 1581 162 165 GLU H H 8.701 0.01 1 1582 162 165 GLU HA H 4.344 0.03 1 1583 162 165 GLU HB2 H 1.793 0.03 2 1584 162 165 GLU HB3 H 1.946 0.03 2 1585 162 165 GLU HG2 H 2.249 0.03 2 1586 162 165 GLU HG3 H 2.647 0.03 2 1587 162 165 GLU C C 176.065 0.30 1 1588 162 165 GLU CA C 57.211 0.30 1 1589 162 165 GLU CB C 32.142 0.30 1 1590 162 165 GLU CG C 37.065 0.30 1 1591 162 165 GLU N N 130.131 0.30 1 1592 163 166 GLN H H 7.622 0.03 1 1593 163 166 GLN HA H 4.694 0.03 1 1594 163 166 GLN HB2 H 1.932 0.03 2 1595 163 166 GLN HB3 H 1.953 0.03 2 1596 163 166 GLN HG2 H 2.293 0.03 2 1597 163 166 GLN HG3 H 2.295 0.03 2 1598 163 166 GLN C C 174.665 0.30 1 1599 163 166 GLN CA C 54.739 0.30 1 1600 163 166 GLN CB C 31.295 0.30 1 1601 163 166 GLN CG C 33.424 0.30 1 1602 163 166 GLN N N 117.995 0.30 1 1603 164 167 HIS H H 8.696 0.03 1 1604 164 167 HIS HA H 4.236 0.05 1 1605 164 167 HIS HB2 H 3.015 0.05 2 1606 164 167 HIS HB3 H 3.341 0.05 2 1607 164 167 HIS HD2 H 7.175 0.05 1 1608 164 167 HIS CA C 56.647 0.30 1 1609 164 167 HIS CB C 28.378 0.30 1 1610 164 167 HIS N N 125.185 0.30 1 1611 165 168 PRO HA H 4.920 0.03 1 1612 165 168 PRO HB2 H 1.945 0.03 2 1613 165 168 PRO HB3 H 1.945 0.03 2 1614 165 168 PRO HD2 H 3.865 0.03 2 1615 165 168 PRO HD3 H 3.865 0.03 2 1616 165 168 PRO HG2 H 1.914 0.03 2 1617 165 168 PRO HG3 H 1.914 0.03 2 1618 165 168 PRO C C 175.778 0.30 1 1619 165 168 PRO CA C 64.018 0.30 1 1620 165 168 PRO CB C 32.154 0.30 1 1621 165 168 PRO CD C 50.258 0.30 1 1622 165 168 PRO CG C 28.076 0.30 1 1623 166 169 LYS H H 8.680 0.03 1 1624 166 169 LYS HA H 4.608 0.03 1 1625 166 169 LYS HB2 H 1.858 0.03 2 1626 166 169 LYS HB3 H 1.858 0.03 2 1627 166 169 LYS HD2 H 1.667 0.03 2 1628 166 169 LYS HD3 H 1.667 0.03 2 1629 166 169 LYS HE2 H 3.125 0.03 2 1630 166 169 LYS HE3 H 3.125 0.03 2 1631 166 169 LYS HG2 H 1.406 0.03 2 1632 166 169 LYS HG3 H 1.406 0.03 2 1633 166 169 LYS C C 174.636 0.30 1 1634 166 169 LYS CA C 54.925 0.30 1 1635 166 169 LYS CB C 35.595 0.30 1 1636 166 169 LYS CD C 29.339 0.30 1 1637 166 169 LYS CE C 42.119 0.30 1 1638 166 169 LYS CG C 24.262 0.30 1 1639 166 169 LYS N N 123.995 0.30 1 1640 167 170 LEU H H 8.729 0.03 1 1641 167 170 LEU HA H 5.143 0.03 1 1642 167 170 LEU HB2 H 1.349 0.05 2 1643 167 170 LEU HB3 H 1.780 0.05 2 1644 167 170 LEU HD1 H 0.837 0.05 2 1645 167 170 LEU HD2 H 0.871 0.05 2 1646 167 170 LEU HG H 1.494 0.05 1 1647 167 170 LEU C C 176.438 0.30 1 1648 167 170 LEU CA C 54.832 0.30 1 1649 167 170 LEU CB C 43.094 0.30 1 1650 167 170 LEU CD1 C 23.667 0.30 1 1651 167 170 LEU CD2 C 25.515 0.30 1 1652 167 170 LEU CG C 27.387 0.30 1 1653 167 170 LEU N N 127.084 0.30 1 1654 168 171 GLU H H 9.089 0.03 1 1655 168 171 GLU HA H 4.460 0.03 1 1656 168 171 GLU HB2 H 2.011 0.03 2 1657 168 171 GLU HB3 H 1.958 0.03 2 1658 168 171 GLU HG2 H 2.154 0.03 2 1659 168 171 GLU HG3 H 2.365 0.03 2 1660 168 171 GLU C C 176.317 0.30 1 1661 168 171 GLU CA C 55.622 0.30 1 1662 168 171 GLU CB C 31.256 0.30 1 1663 168 171 GLU CG C 36.327 0.30 1 1664 168 171 GLU N N 128.947 0.30 1 1665 169 172 GLY H H 8.998 0.01 1 1666 169 172 GLY HA2 H 3.971 0.03 2 1667 169 172 GLY HA3 H 5.058 0.03 2 1668 169 172 GLY C C 174.186 0.30 1 1669 169 172 GLY CA C 47.333 0.30 1 1670 169 172 GLY N N 116.726 0.30 1 1671 170 173 ARG H H 8.824 0.01 1 1672 170 173 ARG HA H 4.595 0.03 1 1673 170 173 ARG HB2 H 1.776 0.03 2 1674 170 173 ARG HB3 H 2.485 0.03 2 1675 170 173 ARG HD2 H 3.229 0.03 2 1676 170 173 ARG HD3 H 3.229 0.03 2 1677 170 173 ARG HG2 H 1.682 0.03 2 1678 170 173 ARG HG3 H 2.682 0.03 2 1679 170 173 ARG C C 174.296 0.30 1 1680 170 173 ARG CA C 55.656 0.30 1 1681 170 173 ARG CB C 30.215 0.30 1 1682 170 173 ARG CD C 43.643 0.30 1 1683 170 173 ARG CG C 27.446 0.30 1 1684 170 173 ARG N N 125.107 0.30 1 1685 171 174 GLN H H 7.965 0.03 1 1686 171 174 GLN HA H 5.315 0.03 1 1687 171 174 GLN HB2 H 2.030 0.03 2 1688 171 174 GLN HB3 H 2.034 0.03 2 1689 171 174 GLN HG2 H 2.243 0.03 2 1690 171 174 GLN HG3 H 2.243 0.03 2 1691 171 174 GLN C C 174.176 0.30 1 1692 171 174 GLN CA C 54.406 0.30 1 1693 171 174 GLN CB C 32.584 0.30 1 1694 171 174 GLN N N 117.167 0.30 1 1695 172 175 LEU H H 8.973 0.01 1 1696 172 175 LEU HA H 5.073 0.05 1 1697 172 175 LEU HB2 H 1.577 0.05 2 1698 172 175 LEU HB3 H 1.577 0.05 2 1699 172 175 LEU HD1 H 0.886 0.05 2 1700 172 175 LEU HD2 H 0.903 0.05 2 1701 172 175 LEU HG H 1.574 0.05 1 1702 172 175 LEU C C 175.866 0.30 1 1703 172 175 LEU CA C 54.088 0.17 1 1704 172 175 LEU CB C 45.817 0.30 1 1705 172 175 LEU CD1 C 24.699 0.30 1 1706 172 175 LEU CD2 C 24.787 0.30 1 1707 172 175 LEU CG C 27.051 0.30 1 1708 172 175 LEU N N 125.640 0.30 1 1709 173 176 MET H H 8.618 0.01 1 1710 173 176 MET HA H 5.874 0.03 1 1711 173 176 MET HB2 H 2.204 0.03 2 1712 173 176 MET HB3 H 2.128 0.03 2 1713 173 176 MET HE H 2.010 0.03 1 1714 173 176 MET HG2 H 2.451 0.03 2 1715 173 176 MET HG3 H 2.524 0.03 2 1716 173 176 MET C C 174.009 0.30 1 1717 173 176 MET CA C 54.166 0.12 1 1718 173 176 MET CB C 36.047 0.30 1 1719 173 176 MET CE C 17.826 0.30 1 1720 173 176 MET CG C 31.185 0.30 1 1721 173 176 MET N N 120.747 0.30 1 1722 174 177 MET H H 8.963 0.01 1 1723 174 177 MET HA H 4.998 0.03 1 1724 174 177 MET HB2 H 1.664 0.03 2 1725 174 177 MET HB3 H 2.313 0.03 2 1726 174 177 MET HE H 2.003 0.03 1 1727 174 177 MET HG2 H 2.371 0.03 2 1728 174 177 MET HG3 H 2.371 0.03 2 1729 174 177 MET C C 173.032 0.30 1 1730 174 177 MET CA C 54.534 0.11 1 1731 174 177 MET CB C 37.154 0.30 1 1732 174 177 MET CE C 16.896 0.30 1 1733 174 177 MET CG C 31.260 0.30 1 1734 174 177 MET N N 120.611 0.30 1 1735 175 178 VAL H H 8.526 0.01 1 1736 175 178 VAL HA H 5.312 0.03 1 1737 175 178 VAL HB H 1.780 0.03 1 1738 175 178 VAL HG1 H 0.796 0.05 2 1739 175 178 VAL HG2 H 0.837 0.05 2 1740 175 178 VAL C C 174.830 0.30 1 1741 175 178 VAL CA C 61.857 0.30 1 1742 175 178 VAL CB C 34.751 0.30 1 1743 175 178 VAL CG1 C 21.023 0.30 1 1744 175 178 VAL CG2 C 21.007 0.30 1 1745 175 178 VAL N N 120.676 0.30 1 1746 176 179 ILE H H 9.553 0.01 1 1747 176 179 ILE HA H 4.909 0.03 1 1748 176 179 ILE HB H 1.756 0.05 1 1749 176 179 ILE HD1 H 0.756 0.05 1 1750 176 179 ILE HG12 H 1.018 0.05 2 1751 176 179 ILE HG13 H 1.430 0.05 2 1752 176 179 ILE HG2 H 0.827 0.05 1 1753 176 179 ILE C C 172.694 0.30 1 1754 176 179 ILE CA C 59.678 0.11 1 1755 176 179 ILE CB C 40.550 0.30 1 1756 176 179 ILE CD1 C 14.027 0.30 1 1757 176 179 ILE CG1 C 28.215 0.30 1 1758 176 179 ILE CG2 C 18.367 0.30 1 1759 176 179 ILE N N 129.107 0.30 1 1760 177 180 ALA H H 9.063 0.01 1 1761 177 180 ALA CA C 48.535 0.30 1 1762 177 180 ALA CB C 20.078 0.30 1 1763 177 180 ALA N N 129.080 0.30 1 1764 178 181 PRO HA H 4.923 0.03 1 1765 178 181 PRO HB2 H 2.100 0.03 2 1766 178 181 PRO HB3 H 2.584 0.03 2 1767 178 181 PRO HB2 H 2.100 0.03 2 1768 178 181 PRO HD2 H 3.821 0.03 2 1769 178 181 PRO HD3 H 3.821 0.03 2 1770 178 181 PRO HG2 H 2.010 0.03 2 1771 178 181 PRO HG3 H 2.010 0.03 2 1772 178 181 PRO C C 176.976 0.30 1 1773 178 181 PRO CA C 63.306 0.30 1 1774 178 181 PRO CB C 32.122 0.30 1 1775 178 181 PRO CD C 50.322 0.30 1 1776 178 181 PRO CG C 27.547 0.30 1 1777 179 182 LYS H H 7.856 0.03 1 1778 179 182 LYS HA H 4.322 0.03 1 1779 179 182 LYS HB2 H 1.784 0.03 2 1780 179 182 LYS HB3 H 1.784 0.03 2 1781 179 182 LYS C C 176.360 0.30 1 1782 179 182 LYS CA C 56.584 0.25 1 1783 179 182 LYS CB C 33.330 0.30 1 1784 179 182 LYS N N 123.017 0.30 1 1785 180 183 LYS H H 8.419 0.01 1 1786 180 183 LYS HA H 4.317 0.03 1 1787 180 183 LYS HB2 H 1.792 0.03 2 1788 180 183 LYS HB3 H 1.792 0.03 2 1789 180 183 LYS C C 176.247 0.30 1 1790 180 183 LYS CA C 56.331 0.30 1 1791 180 183 LYS CB C 33.102 0.30 1 1792 180 183 LYS CD C 29.428 0.30 1 1793 180 183 LYS CG C 24.780 0.30 1 1794 180 183 LYS N N 123.471 0.30 1 1795 181 184 LYS H H 8.385 0.01 1 1796 181 184 LYS HA H 4.249 0.05 1 1797 181 184 LYS HB2 H 1.744 0.05 2 1798 181 184 LYS HB3 H 1.744 0.05 2 1799 181 184 LYS CA C 56.081 0.30 1 1800 181 184 LYS CB C 33.100 0.30 1 1801 181 184 LYS N N 123.564 0.30 1 1802 182 185 LYS H H 8.400 0.01 1 1803 182 185 LYS HA H 4.237 0.01 1 1804 182 185 LYS HB2 H 1.736 0.05 2 1805 182 185 LYS HB3 H 1.736 0.05 2 1806 182 185 LYS C C 176.207 0.30 1 1807 182 185 LYS CA C 56.354 0.30 1 1808 182 185 LYS CB C 30.390 0.30 1 1809 182 185 LYS CD C 29.076 0.30 1 1810 182 185 LYS CE C 42.026 0.30 1 1811 182 185 LYS CG C 24.687 0.30 1 1812 182 185 LYS N N 122.676 0.30 1 stop_ save_