data_7004 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for Rhodopseudomonas palustrus protein Rpa0253. Northeast structural genomics target RpR3. ; _BMRB_accession_number 7004 _BMRB_flat_file_name bmr7004.str _Entry_type original _Submission_date 2006-02-23 _Accession_date 2006-02-24 _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 Ramelot Theresa A. . 2 Kennedy Michael A. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 coupling_constants 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 842 "13C chemical shifts" 625 "15N chemical shifts" 150 "coupling constants" 77 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2006-03-29 original author . stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'NMR structure of Rpa0253 from Rhodopseudomonas paulstris' _Citation_status published _Citation_type 'BMRB only' _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Ramelot Theresa A. . 2 Kennedy Michael A. . stop_ _Journal_abbreviation . _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Rpa0253 monomer' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Rpa0253 monomer' $Rpa0253 stop_ _System_molecular_weight 15500 _System_physical_state native _System_oligomer_state protein _System_paramagnetic no _System_thiol_state 'all free' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_Rpa0253 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Rpa0253 _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 145 _Mol_residue_sequence ; VAYWLVKSEPSVWSWDQQVA KGAAGEAWTGVRNHSAKLHM VAMRRGDRAFYYHSNEGKEI VGIAEIIREAYPDPTDASGK FVCVDIKADKPLKTPVTLAA VKAEPRLADMALMKYSRLSV QPVTAEEWKLVCKMGGLLEH HHHHH ; loop_ _Residue_seq_code _Residue_label 1 VAL 2 ALA 3 TYR 4 TRP 5 LEU 6 VAL 7 LYS 8 SER 9 GLU 10 PRO 11 SER 12 VAL 13 TRP 14 SER 15 TRP 16 ASP 17 GLN 18 GLN 19 VAL 20 ALA 21 LYS 22 GLY 23 ALA 24 ALA 25 GLY 26 GLU 27 ALA 28 TRP 29 THR 30 GLY 31 VAL 32 ARG 33 ASN 34 HIS 35 SER 36 ALA 37 LYS 38 LEU 39 HIS 40 MET 41 VAL 42 ALA 43 MET 44 ARG 45 ARG 46 GLY 47 ASP 48 ARG 49 ALA 50 PHE 51 TYR 52 TYR 53 HIS 54 SER 55 ASN 56 GLU 57 GLY 58 LYS 59 GLU 60 ILE 61 VAL 62 GLY 63 ILE 64 ALA 65 GLU 66 ILE 67 ILE 68 ARG 69 GLU 70 ALA 71 TYR 72 PRO 73 ASP 74 PRO 75 THR 76 ASP 77 ALA 78 SER 79 GLY 80 LYS 81 PHE 82 VAL 83 CYS 84 VAL 85 ASP 86 ILE 87 LYS 88 ALA 89 ASP 90 LYS 91 PRO 92 LEU 93 LYS 94 THR 95 PRO 96 VAL 97 THR 98 LEU 99 ALA 100 ALA 101 VAL 102 LYS 103 ALA 104 GLU 105 PRO 106 ARG 107 LEU 108 ALA 109 ASP 110 MET 111 ALA 112 LEU 113 MET 114 LYS 115 TYR 116 SER 117 ARG 118 LEU 119 SER 120 VAL 121 GLN 122 PRO 123 VAL 124 THR 125 ALA 126 GLU 127 GLU 128 TRP 129 LYS 130 LEU 131 VAL 132 CYS 133 LYS 134 MET 135 GLY 136 GLY 137 LEU 138 LEU 139 GLU 140 HIS 141 HIS 142 HIS 143 HIS 144 HIS 145 HIS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-28 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 2GBS "Nmr Structure Of Rpa0253 From Rhodopseudomonas Palustris. Northeast Structural Genomics Consortium Target Rpr3" 100.00 145 100.00 100.00 1.01e-101 EMBL CAE25697 "DUF589 [Rhodopseudomonas palustris CGA009]" 94.48 137 99.27 100.00 1.79e-94 GB ACE98814 "protein of unknown function DUF55 [Rhodopseudomonas palustris TIE-1]" 94.48 137 97.08 100.00 6.49e-93 GB ADU42022 "protein of unknown function DUF55 [Rhodopseudomonas palustris DX-1]" 94.48 137 97.81 100.00 2.48e-93 REF NP_945606 "hypothetical protein RPA0253 [Rhodopseudomonas palustris CGA009]" 94.48 137 99.27 100.00 1.79e-94 REF WP_011155821 "ubiquinol-cytochrome C reductase [Rhodopseudomonas palustris]" 94.48 137 99.27 100.00 1.79e-94 REF WP_012494016 "ubiquinol-cytochrome C reductase [Rhodopseudomonas palustris]" 94.48 137 97.08 100.00 6.49e-93 REF WP_013500221 "ubiquinol-cytochrome C reductase [Rhodopseudomonas palustris]" 94.48 137 97.81 100.00 2.48e-93 REF YP_001989290 "hypothetical protein Rpal_0254 [Rhodopseudomonas palustris TIE-1]" 94.48 137 97.08 100.00 6.49e-93 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $Rpa0253 'Rhodopseudomonas palustris' 1076 Eubacteria . Rhodopseudomonas palustris stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_type _Vector_name $Rpa0253 'recombinant technology' 'E. coli' . . . plasmid pET21 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '20mM MES, 100mM NaCl, 5mM CaCl2, 10mM DTT, 0.02% NaN3, 5% D2O, pH 6.5' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Rpa0253 0.5 mM '[U-100% 13C; U-100% 15N]' MES 20 mM . NaCl 5 mM . CaCl2 5 mM . DTT 10 mM . NaN3 0.02 % . D2O 5 % . stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_800MHz_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model Inova _Field_strength 799.7 _Details . save_ save_600MHz_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model Inova _Field_strength 600.2 _Details . save_ ############################# # NMR applied experiments # ############################# save_1H15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '1H15N HSQC' _Sample_label . save_ ####################### # Sample conditions # ####################### save_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.5 0.1 pH temperature 293 1 K 'ionic strength' 100 10 mM stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _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 H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 DSS N 15 'methyl protons' ppm 0.0 . 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_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $conditions_1 _Chem_shift_reference_set_label $chemical_shift_referencing _Mol_system_component_name 'Rpa0253 monomer' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 1 VAL HA H 3.42 0.02 1 2 1 1 VAL HB H 1.93 0.02 1 3 1 1 VAL HG1 H 0.59 0.02 1 4 1 1 VAL HG2 H 0.67 0.02 1 5 1 1 VAL CA C 61.5 0.2 1 6 1 1 VAL CB C 32.5 0.2 1 7 1 1 VAL CG1 C 19.6 0.02 1 8 1 1 VAL CG2 C 20.1 0.02 1 9 2 2 ALA H H 7.61 0.02 1 10 2 2 ALA HA H 3.94 0.02 1 11 2 2 ALA HB H 1.17 0.02 1 12 2 2 ALA CA C 50.0 0.2 1 13 2 2 ALA CB C 21.6 0.2 1 14 2 2 ALA N N 129.1 0.2 1 15 3 3 TYR H H 7.47 0.02 1 16 3 3 TYR HA H 5.05 0.02 1 17 3 3 TYR HB2 H 2.42 0.02 1 18 3 3 TYR HB3 H 2.42 0.02 1 19 3 3 TYR HD1 H 5.40 0.02 1 20 3 3 TYR HD2 H 5.40 0.02 1 21 3 3 TYR HE1 H 5.77 0.02 1 22 3 3 TYR HE2 H 5.77 0.02 1 23 3 3 TYR CA C 55.7 0.2 1 24 3 3 TYR CB C 40.6 0.2 1 25 3 3 TYR CD1 C 131.8 0.02 1 26 3 3 TYR CD2 C 131.8 0.02 1 27 3 3 TYR CE1 C 115.5 0.02 3 28 3 3 TYR CE2 C 115.4 0.02 3 29 3 3 TYR N N 115.7 0.2 1 30 4 4 TRP H H 8.14 0.02 1 31 4 4 TRP HA H 5.54 0.02 1 32 4 4 TRP HB2 H 2.45 0.02 2 33 4 4 TRP HB3 H 3.21 0.02 2 34 4 4 TRP HD1 H 6.74 0.02 1 35 4 4 TRP HE1 H 10.46 0.02 1 36 4 4 TRP HE3 H 7.21 0.02 1 37 4 4 TRP HZ2 H 7.24 0.02 1 38 4 4 TRP HZ3 H 6.94 0.02 1 39 4 4 TRP HH2 H 7.27 0.02 1 40 4 4 TRP C C 174.5 0.2 1 41 4 4 TRP CA C 55.3 0.2 1 42 4 4 TRP CB C 35.5 0.2 1 43 4 4 TRP CD1 C 127.0 0.2 1 44 4 4 TRP CE3 C 119.5 0.2 1 45 4 4 TRP CZ2 C 113.8 0.2 1 46 4 4 TRP CZ3 C 121.3 0.2 1 47 4 4 TRP CH2 C 125.6 0.2 1 48 4 4 TRP N N 118.8 0.2 1 49 4 4 TRP NE1 N 129.5 0.2 1 50 5 5 LEU H H 9.46 0.02 1 51 5 5 LEU HA H 5.22 0.02 1 52 5 5 LEU HB2 H 1.36 0.02 2 53 5 5 LEU HB3 H 1.84 0.02 2 54 5 5 LEU HG H 1.65 0.02 1 55 5 5 LEU HD1 H 0.82 0.02 1 56 5 5 LEU HD2 H 0.43 0.02 1 57 5 5 LEU C C 174.8 0.2 1 58 5 5 LEU CA C 55.8 0.2 1 59 5 5 LEU CB C 45.1 0.2 1 60 5 5 LEU CG C 27.2 0.2 1 61 5 5 LEU CD1 C 27.8 0.02 1 62 5 5 LEU CD2 C 24.5 0.02 1 63 5 5 LEU N N 123.0 0.2 1 64 6 6 VAL H H 9.22 0.02 1 65 6 6 VAL HA H 5.12 0.02 1 66 6 6 VAL HB H 1.83 0.02 1 67 6 6 VAL HG1 H 0.28 0.02 1 68 6 6 VAL HG2 H 0.21 0.02 1 69 6 6 VAL C C 173.3 0.2 1 70 6 6 VAL CA C 59.1 0.2 1 71 6 6 VAL CB C 34.1 0.2 1 72 6 6 VAL CG1 C 21.0 0.02 1 73 6 6 VAL CG2 C 18.1 0.02 1 74 6 6 VAL N N 119.7 0.2 1 75 7 7 LYS H H 8.25 0.02 1 76 7 7 LYS HA H 5.55 0.02 1 77 7 7 LYS HB2 H 1.91 0.02 2 78 7 7 LYS HB3 H 1.98 0.02 2 79 7 7 LYS HG2 H 1.13 0.02 2 80 7 7 LYS HG3 H 1.47 0.02 2 81 7 7 LYS HD2 H 1.64 0.02 2 82 7 7 LYS HD3 H 1.74 0.02 2 83 7 7 LYS HE2 H 2.45 0.02 2 84 7 7 LYS HE3 H 2.78 0.02 2 85 7 7 LYS C C 176.8 0.2 1 86 7 7 LYS CA C 55.2 0.2 1 87 7 7 LYS CB C 35.1 0.2 1 88 7 7 LYS CG C 26.1 0.2 1 89 7 7 LYS CD C 30.5 0.2 1 90 7 7 LYS CE C 42.0 0.2 1 91 7 7 LYS N N 119.9 0.2 1 92 8 8 SER H H 9.43 0.02 1 93 8 8 SER HA H 4.75 0.02 1 94 8 8 SER HB2 H 3.94 0.02 1 95 8 8 SER HB3 H 3.94 0.02 1 96 8 8 SER HG H 6.63 0.02 1 97 8 8 SER C C 174.6 0.2 1 98 8 8 SER CA C 57.2 0.2 1 99 8 8 SER CB C 66.5 0.2 1 100 8 8 SER N N 116.2 0.2 1 101 9 9 GLU H H 8.88 0.02 1 102 9 9 GLU HA H 5.01 0.02 1 103 9 9 GLU HB2 H 2.00 0.02 2 104 9 9 GLU HB3 H 2.15 0.02 2 105 9 9 GLU HG2 H 2.37 0.02 1 106 9 9 GLU HG3 H 2.37 0.02 1 107 9 9 GLU CA C 54.4 0.2 1 108 9 9 GLU CB C 29.5 0.2 1 109 9 9 GLU CG C 36.8 0.2 1 110 9 9 GLU N N 130.3 0.2 1 111 10 10 PRO HA H 3.71 0.02 1 112 10 10 PRO HB2 H 0.92 0.02 2 113 10 10 PRO HB3 H 1.76 0.02 2 114 10 10 PRO HG2 H 1.43 0.02 2 115 10 10 PRO HG3 H 1.92 0.02 2 116 10 10 PRO HD2 H 3.84 0.02 2 117 10 10 PRO HD3 H 4.28 0.02 2 118 10 10 PRO C C 176.5 0.2 1 119 10 10 PRO CA C 64.9 0.2 1 120 10 10 PRO CB C 29.8 0.2 1 121 10 10 PRO CG C 27.3 0.2 1 122 10 10 PRO CD C 51.6 0.2 1 123 11 11 SER H H 8.22 0.02 1 124 11 11 SER HA H 4.20 0.02 1 125 11 11 SER HB2 H 3.88 0.02 2 126 11 11 SER HB3 H 3.98 0.02 2 127 11 11 SER C C 173.8 0.2 1 128 11 11 SER CA C 59.8 0.2 1 129 11 11 SER CB C 62.4 0.2 1 130 11 11 SER N N 111.9 0.2 1 131 12 12 VAL H H 7.83 0.02 1 132 12 12 VAL HA H 4.07 0.02 1 133 12 12 VAL HB H 2.18 0.02 1 134 12 12 VAL HG1 H 0.90 0.02 2 135 12 12 VAL HG2 H 0.97 0.02 2 136 12 12 VAL C C 176.0 0.2 1 137 12 12 VAL CA C 64.6 0.2 1 138 12 12 VAL CB C 33.7 0.2 1 139 12 12 VAL CG1 C 21.5 0.02 2 140 12 12 VAL CG2 C 21.1 0.02 2 141 12 12 VAL N N 123.6 0.2 1 142 13 13 TRP H H 8.35 0.02 1 143 13 13 TRP HA H 5.19 0.02 1 144 13 13 TRP HB2 H 2.99 0.02 2 145 13 13 TRP HB3 H 3.06 0.02 2 146 13 13 TRP HD1 H 7.81 0.02 1 147 13 13 TRP HE1 H 10.17 0.02 1 148 13 13 TRP HE3 H 7.70 0.02 1 149 13 13 TRP HZ2 H 6.90 0.02 1 150 13 13 TRP HZ3 H 7.03 0.02 1 151 13 13 TRP HH2 H 6.91 0.02 1 152 13 13 TRP C C 175.6 0.2 1 153 13 13 TRP CA C 56.5 0.2 1 154 13 13 TRP CB C 29.5 0.2 1 155 13 13 TRP CD1 C 129.5 0.2 1 156 13 13 TRP CE3 C 121.6 0.2 1 157 13 13 TRP CZ2 C 112.9 0.2 1 158 13 13 TRP CZ3 C 121.7 0.2 1 159 13 13 TRP CH2 C 123.8 0.2 1 160 13 13 TRP N N 119.6 0.2 1 161 13 13 TRP NE1 N 126.3 0.2 1 162 14 14 SER H H 9.46 0.02 1 163 14 14 SER HA H 4.76 0.02 1 164 14 14 SER HB2 H 4.34 0.02 2 165 14 14 SER HB3 H 4.45 0.02 2 166 14 14 SER HG H 5.68 0.02 1 167 14 14 SER C C 174.2 0.2 1 168 14 14 SER CA C 57.1 0.2 1 169 14 14 SER CB C 66.4 0.2 1 170 14 14 SER N N 129.8 0.2 1 171 15 15 TRP H H 11.67 0.02 1 172 15 15 TRP HA H 3.53 0.02 1 173 15 15 TRP HB2 H 2.90 0.02 2 174 15 15 TRP HB3 H 3.00 0.02 2 175 15 15 TRP HD1 H 6.98 0.02 1 176 15 15 TRP HE1 H 9.95 0.02 1 177 15 15 TRP HE3 H 6.18 0.02 1 178 15 15 TRP HZ2 H 6.79 0.02 1 179 15 15 TRP HZ3 H 6.28 0.02 1 180 15 15 TRP HH2 H 7.04 0.02 1 181 15 15 TRP C C 176.1 0.2 1 182 15 15 TRP CA C 59.5 0.2 1 183 15 15 TRP CB C 30.9 0.2 1 184 15 15 TRP CD1 C 127.9 0.2 1 185 15 15 TRP CE3 C 120.3 0.2 1 186 15 15 TRP CZ2 C 113.0 0.2 1 187 15 15 TRP CZ3 C 118.2 0.2 1 188 15 15 TRP CH2 C 124.1 0.2 1 189 15 15 TRP N N 125.6 0.2 1 190 15 15 TRP NE1 N 129.4 0.2 1 191 16 16 ASP H H 8.14 0.02 1 192 16 16 ASP HA H 3.86 0.02 1 193 16 16 ASP HB2 H 2.38 0.02 1 194 16 16 ASP HB3 H 2.38 0.02 1 195 16 16 ASP C C 179.9 0.2 1 196 16 16 ASP CA C 57.5 0.2 1 197 16 16 ASP CB C 40.1 0.2 1 198 16 16 ASP N N 115.7 0.2 1 199 17 17 GLN H H 7.40 0.02 1 200 17 17 GLN HA H 3.40 0.02 1 201 17 17 GLN HB2 H 0.10 0.02 2 202 17 17 GLN HB3 H 0.98 0.02 2 203 17 17 GLN HG2 H 1.87 0.02 1 204 17 17 GLN HG3 H 1.87 0.02 1 205 17 17 GLN HE21 H 7.59 0.02 2 206 17 17 GLN HE22 H 7.06 0.02 2 207 17 17 GLN C C 177.8 0.2 1 208 17 17 GLN CA C 58.9 0.2 1 209 17 17 GLN CB C 26.4 0.2 1 210 17 17 GLN CG C 35.2 0.2 1 211 17 17 GLN CD C 180.2 0.2 1 212 17 17 GLN N N 121.7 0.2 1 213 17 17 GLN NE2 N 113.8 0.2 1 214 18 18 GLN H H 7.69 0.02 1 215 18 18 GLN HA H 3.77 0.02 1 216 18 18 GLN HB2 H 1.77 0.02 2 217 18 18 GLN HB3 H 2.22 0.02 2 218 18 18 GLN HG2 H 1.61 0.02 2 219 18 18 GLN HG3 H 2.01 0.02 2 220 18 18 GLN HE21 H 6.76 0.02 1 221 18 18 GLN HE22 H 5.96 0.02 1 222 18 18 GLN C C 179.9 0.2 1 223 18 18 GLN CA C 58.5 0.2 1 224 18 18 GLN CB C 27.3 0.2 1 225 18 18 GLN CG C 33.6 0.2 1 226 18 18 GLN N N 120.5 0.2 1 227 18 18 GLN NE2 N 109.9 0.2 1 228 19 19 VAL H H 8.74 0.02 1 229 19 19 VAL HA H 2.92 0.02 1 230 19 19 VAL HB H 1.56 0.02 1 231 19 19 VAL HG1 H 0.62 0.02 1 232 19 19 VAL HG2 H -0.34 0.02 1 233 19 19 VAL C C 179.5 0.2 1 234 19 19 VAL CA C 66.1 0.2 1 235 19 19 VAL CB C 31.6 0.2 1 236 19 19 VAL CG1 C 20.7 0.02 1 237 19 19 VAL CG2 C 22.5 0.02 1 238 19 19 VAL N N 123.3 0.2 1 239 20 20 ALA H H 7.45 0.02 1 240 20 20 ALA HA H 4.04 0.02 1 241 20 20 ALA HB H 1.39 0.02 1 242 20 20 ALA C C 178.8 0.2 1 243 20 20 ALA CA C 54.2 0.2 1 244 20 20 ALA CB C 17.9 0.2 1 245 20 20 ALA N N 122.2 0.2 1 246 21 21 LYS H H 7.25 0.02 1 247 21 21 LYS HA H 4.23 0.02 1 248 21 21 LYS HB2 H 2.14 0.02 1 249 21 21 LYS HB3 H 2.14 0.02 1 250 21 21 LYS HG2 H 1.86 0.02 2 251 21 21 LYS HG3 H 2.04 0.02 2 252 21 21 LYS HD2 H 1.92 0.02 2 253 21 21 LYS HD3 H 2.00 0.02 2 254 21 21 LYS HE2 H 3.25 0.02 1 255 21 21 LYS HE3 H 3.25 0.02 1 256 21 21 LYS C C 178.9 0.2 1 257 21 21 LYS CA C 55.3 0.2 1 258 21 21 LYS CB C 30.7 0.2 1 259 21 21 LYS CG C 23.5 0.2 1 260 21 21 LYS CD C 26.8 0.2 1 261 21 21 LYS CE C 40.9 0.2 1 262 21 21 LYS N N 115.6 0.2 1 263 22 22 GLY H H 7.79 0.02 1 264 22 22 GLY HA2 H 3.94 0.02 2 265 22 22 GLY HA3 H 4.01 0.02 2 266 22 22 GLY C C 175.8 0.2 1 267 22 22 GLY CA C 45.8 0.2 1 268 22 22 GLY N N 104.5 0.2 1 269 23 23 ALA H H 8.89 0.02 1 270 23 23 ALA HA H 3.99 0.02 1 271 23 23 ALA HB H 1.44 0.02 1 272 23 23 ALA C C 177.5 0.2 1 273 23 23 ALA CA C 54.4 0.2 1 274 23 23 ALA CB C 18.3 0.2 1 275 23 23 ALA N N 126.3 0.2 1 276 24 24 ALA H H 7.89 0.02 1 277 24 24 ALA HA H 4.03 0.02 1 278 24 24 ALA HB H 1.51 0.02 1 279 24 24 ALA C C 179.2 0.2 1 280 24 24 ALA CA C 53.6 0.2 1 281 24 24 ALA CB C 18.8 0.2 1 282 24 24 ALA N N 117.6 0.2 1 283 25 25 GLY H H 7.32 0.02 1 284 25 25 GLY HA2 H 3.99 0.02 2 285 25 25 GLY HA3 H 3.76 0.02 2 286 25 25 GLY C C 170.4 0.2 1 287 25 25 GLY CA C 45.4 0.2 1 288 25 25 GLY N N 100.9 0.2 1 289 26 26 GLU H H 8.92 0.02 1 290 26 26 GLU HA H 4.83 0.02 1 291 26 26 GLU HB2 H 2.15 0.02 2 292 26 26 GLU HB3 H 2.23 0.02 2 293 26 26 GLU HG2 H 1.80 0.02 1 294 26 26 GLU HG3 H 1.80 0.02 1 295 26 26 GLU C C 174.3 0.2 1 296 26 26 GLU CA C 54.5 0.2 1 297 26 26 GLU CB C 35.1 0.2 1 298 26 26 GLU CG C 33.5 0.2 1 299 26 26 GLU N N 118.7 0.2 1 300 27 27 ALA H H 8.54 0.02 1 301 27 27 ALA HA H 5.11 0.02 1 302 27 27 ALA HB H 1.28 0.02 1 303 27 27 ALA C C 177.0 0.2 1 304 27 27 ALA CA C 51.9 0.2 1 305 27 27 ALA CB C 19.9 0.2 1 306 27 27 ALA N N 129.8 0.2 1 307 28 28 TRP H H 9.94 0.02 1 308 28 28 TRP HA H 4.64 0.02 1 309 28 28 TRP HB2 H 2.85 0.02 2 310 28 28 TRP HB3 H 3.62 0.02 2 311 28 28 TRP HD1 H 6.75 0.02 1 312 28 28 TRP HE1 H 10.46 0.02 1 313 28 28 TRP HE3 H 7.36 0.02 1 314 28 28 TRP HZ2 H 7.35 0.02 1 315 28 28 TRP HZ3 H 7.54 0.02 1 316 28 28 TRP HH2 H 7.38 0.02 1 317 28 28 TRP C C 175.0 0.2 1 318 28 28 TRP CA C 56.5 0.2 1 319 28 28 TRP CB C 28.2 0.2 1 320 28 28 TRP CD1 C 124.0 0.2 1 321 28 28 TRP CE3 C 119.9 0.2 1 322 28 28 TRP CZ2 C 114.1 0.2 1 323 28 28 TRP CZ3 C 122.3 0.2 1 324 28 28 TRP CH2 C 124.6 0.2 1 325 28 28 TRP N N 129.9 0.2 1 326 28 28 TRP NE1 N 127.2 0.2 1 327 29 29 THR H H 7.26 0.02 1 328 29 29 THR HA H 4.13 0.02 1 329 29 29 THR HB H 4.26 0.02 1 330 29 29 THR HG2 H 1.00 0.02 1 331 29 29 THR C C 175.5 0.2 1 332 29 29 THR CA C 61.5 0.2 1 333 29 29 THR CB C 71.1 0.2 1 334 29 29 THR CG2 C 22.5 0.2 1 335 29 29 THR N N 114.5 0.2 1 336 30 30 GLY H H 8.48 0.02 1 337 30 30 GLY HA2 H 3.23 0.02 2 338 30 30 GLY HA3 H 3.92 0.02 2 339 30 30 GLY C C 174.7 0.2 1 340 30 30 GLY CA C 45.7 0.2 1 341 30 30 GLY N N 105.4 0.2 1 342 31 31 VAL H H 9.15 0.02 1 343 31 31 VAL HA H 3.77 0.02 1 344 31 31 VAL HB H 2.31 0.02 1 345 31 31 VAL HG1 H 0.95 0.02 2 346 31 31 VAL HG2 H 1.01 0.02 2 347 31 31 VAL C C 178.2 0.2 1 348 31 31 VAL CA C 64.4 0.2 1 349 31 31 VAL CB C 30.5 0.2 1 350 31 31 VAL CG1 C 21.3 0.02 2 351 31 31 VAL CG2 C 22.4 0.02 2 352 31 31 VAL N N 123.4 0.2 1 353 32 32 ARG H H 8.50 0.02 1 354 32 32 ARG HA H 3.32 0.02 1 355 32 32 ARG HB2 H 1.35 0.02 2 356 32 32 ARG HB3 H 1.43 0.02 2 357 32 32 ARG HG2 H 0.95 0.02 2 358 32 32 ARG HG3 H 1.28 0.02 2 359 32 32 ARG HD2 H 1.84 0.02 2 360 32 32 ARG HD3 H 2.30 0.02 2 361 32 32 ARG HE H 7.11 0.02 1 362 32 32 ARG C C 173.7 0.2 1 363 32 32 ARG CA C 52.6 0.2 1 364 32 32 ARG CB C 29.1 0.2 1 365 32 32 ARG CG C 25.7 0.2 1 366 32 32 ARG CD C 41.9 0.2 1 367 32 32 ARG N N 129.8 0.2 1 368 32 32 ARG NE N 86.5 0.2 1 369 33 33 ASN H H 6.59 0.02 1 370 33 33 ASN HA H 4.93 0.02 1 371 33 33 ASN HB2 H 2.74 0.02 2 372 33 33 ASN HB3 H 2.91 0.02 2 373 33 33 ASN HD21 H 7.87 0.02 1 374 33 33 ASN HD22 H 7.30 0.02 1 375 33 33 ASN CA C 52.4 0.2 1 376 33 33 ASN CB C 41.6 0.2 1 377 33 33 ASN CG C 175.6 0.2 1 378 33 33 ASN N N 119.6 0.2 1 379 33 33 ASN ND2 N 114.3 0.2 1 380 34 34 HIS HA H 4.24 0.02 1 381 34 34 HIS HB2 H 3.18 0.02 1 382 34 34 HIS HB3 H 3.18 0.02 1 383 34 34 HIS HD2 H 7.15 0.02 1 384 34 34 HIS HE1 H 7.56 0.02 1 385 34 34 HIS CA C 61.5 0.2 1 386 34 34 HIS CB C 31.0 0.2 1 387 34 34 HIS CD2 C 118.9 0.2 1 388 34 34 HIS CE1 C 138.4 0.2 1 389 35 35 SER H H 8.20 0.02 1 390 35 35 SER HA H 4.05 0.02 1 391 35 35 SER HB2 H 3.77 0.02 1 392 35 35 SER HB3 H 3.77 0.02 1 393 35 35 SER C C 175.5 0.2 1 394 35 35 SER CA C 62.4 0.2 1 395 35 35 SER CB C 62.4 0.2 1 396 35 35 SER N N 115.8 0.2 1 397 36 36 ALA H H 8.05 0.02 1 398 36 36 ALA HA H 4.25 0.02 1 399 36 36 ALA HB H 1.60 0.02 1 400 36 36 ALA C C 178.9 0.2 1 401 36 36 ALA CA C 55.0 0.2 1 402 36 36 ALA CB C 20.1 0.2 1 403 36 36 ALA N N 123.5 0.2 1 404 37 37 LYS H H 8.33 0.02 1 405 37 37 LYS HA H 3.82 0.02 1 406 37 37 LYS HB2 H 2.10 0.02 2 407 37 37 LYS HB3 H 2.15 0.02 2 408 37 37 LYS HG2 H 1.15 0.02 2 409 37 37 LYS HG3 H 1.75 0.02 2 410 37 37 LYS HD2 H 1.54 0.02 2 411 37 37 LYS HD3 H 1.78 0.02 2 412 37 37 LYS HE2 H 2.76 0.02 2 413 37 37 LYS C C 177.4 0.2 1 414 37 37 LYS CA C 59.8 0.2 1 415 37 37 LYS CB C 31.9 0.2 1 416 37 37 LYS CG C 24.9 0.2 1 417 37 37 LYS CD C 29.5 0.2 1 418 37 37 LYS CE C 41.8 0.2 1 419 37 37 LYS N N 119.1 0.2 1 420 38 38 LEU H H 7.39 0.02 1 421 38 38 LEU HA H 3.82 0.02 1 422 38 38 LEU HB2 H 1.28 0.02 2 423 38 38 LEU HB3 H 1.66 0.02 2 424 38 38 LEU HG H 1.62 0.02 1 425 38 38 LEU HD1 H 0.79 0.02 1 426 38 38 LEU HD2 H 0.71 0.02 1 427 38 38 LEU C C 180.3 0.2 1 428 38 38 LEU CA C 58.0 0.2 1 429 38 38 LEU CB C 40.8 0.2 1 430 38 38 LEU CG C 26.6 0.2 1 431 38 38 LEU CD1 C 25.2 0.02 1 432 38 38 LEU CD2 C 22.7 0.02 1 433 38 38 LEU N N 117.2 0.2 1 434 39 39 HIS H H 7.18 0.02 1 435 39 39 HIS HA H 4.64 0.02 1 436 39 39 HIS HB2 H 3.01 0.02 1 437 39 39 HIS HB3 H 3.01 0.02 1 438 39 39 HIS HD2 H 7.26 0.02 1 439 39 39 HIS HE1 H 7.76 0.02 1 440 39 39 HIS C C 176.5 0.2 1 441 39 39 HIS CA C 58.5 0.2 1 442 39 39 HIS CB C 29.8 0.2 1 443 39 39 HIS CD2 C 120.6 0.2 1 444 39 39 HIS CE1 C 138.9 0.2 1 445 39 39 HIS N N 118.8 0.2 1 446 40 40 MET H H 7.85 0.02 1 447 40 40 MET HA H 4.08 0.02 1 448 40 40 MET HB2 H 2.11 0.02 2 449 40 40 MET HB3 H 2.18 0.02 2 450 40 40 MET HG2 H 1.76 0.02 2 451 40 40 MET HG3 H 2.87 0.02 2 452 40 40 MET HE H 2.32 0.02 1 453 40 40 MET C C 179.5 0.2 1 454 40 40 MET CA C 58.9 0.2 1 455 40 40 MET CB C 33.9 0.2 1 456 40 40 MET CG C 34.0 0.2 1 457 40 40 MET CE C 19.3 0.2 1 458 40 40 MET N N 116.3 0.2 1 459 41 41 VAL H H 8.14 0.02 1 460 41 41 VAL HA H 3.45 0.02 1 461 41 41 VAL HB H 2.12 0.02 1 462 41 41 VAL HG1 H 0.92 0.02 1 463 41 41 VAL HG2 H 0.96 0.02 1 464 41 41 VAL C C 175.3 0.2 1 465 41 41 VAL CA C 65.5 0.2 1 466 41 41 VAL CB C 31.9 0.2 1 467 41 41 VAL CG1 C 21.4 0.02 1 468 41 41 VAL CG2 C 23.1 0.02 1 469 41 41 VAL N N 117.9 0.2 1 470 42 42 ALA H H 7.14 0.02 1 471 42 42 ALA HA H 4.25 0.02 1 472 42 42 ALA HB H 1.76 0.02 1 473 42 42 ALA C C 178.4 0.2 1 474 42 42 ALA CA C 52.7 0.2 1 475 42 42 ALA CB C 19.9 0.2 1 476 42 42 ALA N N 120.6 0.2 1 477 43 43 MET H H 6.89 0.02 1 478 43 43 MET HA H 3.84 0.02 1 479 43 43 MET HB2 H 1.44 0.02 2 480 43 43 MET HB3 H 1.80 0.02 2 481 43 43 MET HG2 H 1.90 0.02 2 482 43 43 MET HG3 H 0.18 0.02 2 483 43 43 MET HE H 1.04 0.02 1 484 43 43 MET C C 176.0 0.2 1 485 43 43 MET CA C 58.0 0.2 1 486 43 43 MET CB C 33.5 0.2 1 487 43 43 MET CG C 31.0 0.2 1 488 43 43 MET CE C 17.5 0.2 1 489 43 43 MET N N 118.7 0.2 1 490 44 44 ARG H H 8.64 0.02 1 491 44 44 ARG HA H 4.79 0.02 1 492 44 44 ARG HB2 H 1.70 0.02 2 493 44 44 ARG HB3 H 1.78 0.02 2 494 44 44 ARG HG2 H 1.57 0.02 2 495 44 44 ARG HG3 H 1.74 0.02 2 496 44 44 ARG HD2 H 3.18 0.02 2 497 44 44 ARG HD3 H 3.25 0.02 2 498 44 44 ARG HE H 7.19 0.02 1 499 44 44 ARG HH11 H 6.52 0.02 4 500 44 44 ARG HH12 H 6.52 0.02 4 501 44 44 ARG HH21 H 6.52 0.02 4 502 44 44 ARG HH22 H 6.52 0.02 4 503 44 44 ARG C C 175.5 0.2 1 504 44 44 ARG CA C 52.2 0.2 1 505 44 44 ARG CB C 33.1 0.2 1 506 44 44 ARG CG C 26.6 0.2 1 507 44 44 ARG CD C 43.1 0.2 1 508 44 44 ARG N N 122.8 0.2 1 509 44 44 ARG NE N 85.4 0.2 1 510 44 44 ARG NH1 N 70.8 0.02 4 511 44 44 ARG NH2 N 70.8 0.02 4 512 45 45 ARG H H 10.00 0.02 1 513 45 45 ARG HA H 3.72 0.02 1 514 45 45 ARG HB2 H 1.68 0.02 2 515 45 45 ARG HB3 H 1.76 0.02 2 516 45 45 ARG HG2 H 1.47 0.02 2 517 45 45 ARG HG3 H 1.63 0.02 2 518 45 45 ARG HD2 H 3.22 0.02 1 519 45 45 ARG HD3 H 3.22 0.02 1 520 45 45 ARG HE H 7.21 0.02 1 521 45 45 ARG C C 177.8 0.2 1 522 45 45 ARG CA C 58.1 0.2 1 523 45 45 ARG CB C 29.9 0.2 1 524 45 45 ARG CG C 28.0 0.2 1 525 45 45 ARG CD C 43.6 0.2 1 526 45 45 ARG N N 122.5 0.2 1 527 45 45 ARG NE N 83.9 0.2 1 528 46 46 GLY H H 9.11 0.02 1 529 46 46 GLY HA2 H 3.88 0.02 2 530 46 46 GLY HA3 H 4.41 0.02 2 531 46 46 GLY C C 174.6 0.2 1 532 46 46 GLY CA C 44.7 0.2 1 533 46 46 GLY N N 116.3 0.2 1 534 47 47 ASP H H 8.43 0.02 1 535 47 47 ASP HA H 4.60 0.02 1 536 47 47 ASP HB2 H 2.92 0.02 1 537 47 47 ASP HB3 H 2.92 0.02 1 538 47 47 ASP C C 174.9 0.2 1 539 47 47 ASP CA C 55.2 0.2 1 540 47 47 ASP CB C 41.9 0.2 1 541 47 47 ASP N N 120.8 0.2 1 542 48 48 ARG H H 7.47 0.02 1 543 48 48 ARG HA H 5.40 0.02 1 544 48 48 ARG HB2 H 1.14 0.02 2 545 48 48 ARG HB3 H 2.02 0.02 2 546 48 48 ARG HG2 H 1.70 0.02 1 547 48 48 ARG HG3 H 1.70 0.02 1 548 48 48 ARG HD2 H 3.07 0.02 2 549 48 48 ARG HD3 H 3.19 0.02 2 550 48 48 ARG HE H 7.68 0.02 1 551 48 48 ARG C C 174.3 0.2 1 552 48 48 ARG CA C 53.3 0.2 1 553 48 48 ARG CB C 35.3 0.2 1 554 48 48 ARG CG C 27.4 0.2 1 555 48 48 ARG CD C 43.3 0.2 1 556 48 48 ARG N N 116.6 0.2 1 557 48 48 ARG NE N 85.7 0.2 1 558 49 49 ALA H H 9.34 0.02 1 559 49 49 ALA HA H 5.61 0.02 1 560 49 49 ALA HB H 1.05 0.02 1 561 49 49 ALA C C 177.5 0.2 1 562 49 49 ALA CA C 48.5 0.2 1 563 49 49 ALA CB C 22.8 0.2 1 564 49 49 ALA N N 119.7 0.2 1 565 50 50 PHE H H 9.78 0.02 1 566 50 50 PHE HA H 5.36 0.02 1 567 50 50 PHE HB2 H 2.85 0.02 2 568 50 50 PHE HB3 H 3.14 0.02 2 569 50 50 PHE HD1 H 6.92 0.02 1 570 50 50 PHE HD2 H 6.92 0.02 1 571 50 50 PHE HE1 H 6.64 0.02 1 572 50 50 PHE HE2 H 6.64 0.02 1 573 50 50 PHE C C 173.5 0.2 1 574 50 50 PHE CA C 56.5 0.2 1 575 50 50 PHE CB C 40.9 0.2 1 576 50 50 PHE CD1 C 132.0 0.02 1 577 50 50 PHE CD2 C 132.0 0.02 1 578 50 50 PHE N N 123.7 0.2 1 579 51 51 TYR H H 9.09 0.02 1 580 51 51 TYR HA H 4.63 0.02 1 581 51 51 TYR HB2 H 2.24 0.02 2 582 51 51 TYR HB3 H 3.12 0.02 2 583 51 51 TYR HD1 H 6.71 0.02 1 584 51 51 TYR HD2 H 6.71 0.02 1 585 51 51 TYR HE1 H 7.17 0.02 1 586 51 51 TYR HE2 H 7.17 0.02 1 587 51 51 TYR C C 173.2 0.2 1 588 51 51 TYR CA C 57.7 0.2 1 589 51 51 TYR CB C 41.4 0.2 1 590 51 51 TYR CD1 C 131.7 0.02 1 591 51 51 TYR CD2 C 131.7 0.02 1 592 51 51 TYR CE1 C 118.1 0.02 1 593 51 51 TYR CE2 C 118.1 0.02 1 594 51 51 TYR N N 126.3 0.2 1 595 52 52 TYR H H 8.95 0.02 1 596 52 52 TYR HA H 5.07 0.02 1 597 52 52 TYR HB2 H 2.37 0.02 2 598 52 52 TYR HB3 H 3.03 0.02 2 599 52 52 TYR HD1 H 6.71 0.02 1 600 52 52 TYR HD2 H 6.71 0.02 1 601 52 52 TYR HE1 H 6.50 0.02 1 602 52 52 TYR HE2 H 6.50 0.02 1 603 52 52 TYR C C 173.5 0.2 1 604 52 52 TYR CA C 56.4 0.2 1 605 52 52 TYR CB C 41.4 0.2 1 606 52 52 TYR CD1 C 132.3 0.02 1 607 52 52 TYR CD2 C 132.3 0.02 1 608 52 52 TYR CE1 C 117.4 0.02 1 609 52 52 TYR CE2 C 117.4 0.02 1 610 52 52 TYR N N 130.7 0.2 1 611 53 53 HIS H H 8.53 0.02 1 612 53 53 HIS HA H 5.82 0.02 1 613 53 53 HIS HB2 H 3.19 0.02 1 614 53 53 HIS HB3 H 3.19 0.02 1 615 53 53 HIS HD2 H 7.12 0.02 1 616 53 53 HIS HE1 H 8.26 0.02 1 617 53 53 HIS C C 174.0 0.2 1 618 53 53 HIS CA C 52.4 0.2 1 619 53 53 HIS CB C 29.9 0.2 1 620 53 53 HIS CD2 C 124.0 0.2 1 621 53 53 HIS CE1 C 139.7 0.2 1 622 53 53 HIS N N 128.0 0.2 1 623 54 54 SER H H 8.28 0.02 1 624 54 54 SER HA H 4.47 0.02 1 625 54 54 SER HB2 H 3.77 0.02 2 626 54 54 SER HB3 H 4.16 0.02 2 627 54 54 SER C C 175.0 0.2 1 628 54 54 SER CA C 56.5 0.2 1 629 54 54 SER CB C 64.9 0.2 1 630 54 54 SER N N 118.0 0.2 1 631 55 55 ASN H H 8.48 0.02 1 632 55 55 ASN HA H 4.22 0.02 1 633 55 55 ASN HB2 H 3.19 0.02 1 634 55 55 ASN HB3 H 3.19 0.02 1 635 55 55 ASN HD21 H 7.93 0.02 1 636 55 55 ASN HD22 H 6.99 0.02 1 637 55 55 ASN C C 174.9 0.2 1 638 55 55 ASN CA C 56.7 0.2 1 639 55 55 ASN CB C 38.0 0.2 1 640 55 55 ASN CG C 177.0 0.2 1 641 55 55 ASN N N 117.5 0.2 1 642 55 55 ASN ND2 N 113.3 0.2 1 643 56 56 GLU H H 9.07 0.02 1 644 56 56 GLU HA H 4.18 0.02 1 645 56 56 GLU HB2 H 1.95 0.02 1 646 56 56 GLU HB3 H 1.95 0.02 1 647 56 56 GLU HG2 H 2.17 0.02 2 648 56 56 GLU HG3 H 2.23 0.02 2 649 56 56 GLU C C 175.8 0.2 1 650 56 56 GLU CA C 56.7 0.2 1 651 56 56 GLU CB C 30.2 0.2 1 652 56 56 GLU CG C 36.0 0.2 1 653 56 56 GLU N N 122.0 0.2 1 654 57 57 GLY H H 8.42 0.02 1 655 57 57 GLY HA2 H 3.41 0.02 2 656 57 57 GLY HA3 H 4.11 0.02 2 657 57 57 GLY C C 174.1 0.2 1 658 57 57 GLY CA C 46.7 0.2 1 659 57 57 GLY N N 111.7 0.2 1 660 58 58 LYS H H 7.44 0.02 1 661 58 58 LYS HA H 4.00 0.02 1 662 58 58 LYS HB2 H 1.78 0.02 2 663 58 58 LYS HB3 H 2.01 0.02 2 664 58 58 LYS HG2 H 1.20 0.02 2 665 58 58 LYS HG3 H 1.38 0.02 2 666 58 58 LYS HD2 H 1.66 0.02 2 667 58 58 LYS HD3 H 1.72 0.02 2 668 58 58 LYS HE2 H 3.04 0.02 1 669 58 58 LYS HE3 H 3.04 0.02 1 670 58 58 LYS C C 175.5 0.2 1 671 58 58 LYS CA C 57.1 0.2 1 672 58 58 LYS CB C 29.5 0.2 1 673 58 58 LYS CG C 25.2 0.2 1 674 58 58 LYS CD C 30.0 0.2 1 675 58 58 LYS CE C 42.3 0.2 1 676 58 58 LYS N N 119.8 0.2 1 677 59 59 GLU H H 7.07 0.02 1 678 59 59 GLU HA H 4.91 0.02 1 679 59 59 GLU HB2 H 1.14 0.02 2 680 59 59 GLU HB3 H 1.89 0.02 2 681 59 59 GLU HG2 H 1.89 0.02 1 682 59 59 GLU HG3 H 1.89 0.02 1 683 59 59 GLU C C 173.9 0.2 1 684 59 59 GLU CA C 53.5 0.2 1 685 59 59 GLU CB C 32.1 0.2 1 686 59 59 GLU CG C 32.8 0.2 1 687 59 59 GLU N N 112.3 0.2 1 688 60 60 ILE H H 9.28 0.02 1 689 60 60 ILE HA H 4.30 0.02 1 690 60 60 ILE HB H 1.46 0.02 1 691 60 60 ILE HG12 H 0.69 0.02 2 692 60 60 ILE HG13 H 1.90 0.02 2 693 60 60 ILE HG2 H 0.50 0.02 1 694 60 60 ILE HD1 H 0.27 0.02 1 695 60 60 ILE C C 176.0 0.2 1 696 60 60 ILE CA C 61.9 0.2 1 697 60 60 ILE CB C 38.9 0.2 1 698 60 60 ILE CG1 C 30.2 0.2 1 699 60 60 ILE CG2 C 18.1 0.2 1 700 60 60 ILE CD1 C 13.8 0.2 1 701 60 60 ILE N N 122.6 0.2 1 702 61 61 VAL H H 8.10 0.02 1 703 61 61 VAL HA H 4.18 0.02 1 704 61 61 VAL HB H 1.65 0.02 1 705 61 61 VAL HG1 H 0.60 0.02 1 706 61 61 VAL HG2 H 0.12 0.02 1 707 61 61 VAL C C 176.1 0.2 1 708 61 61 VAL CA C 60.9 0.2 1 709 61 61 VAL CB C 33.6 0.2 1 710 61 61 VAL CG1 C 22.6 0.02 1 711 61 61 VAL CG2 C 17.6 0.02 1 712 61 61 VAL N N 115.5 0.2 1 713 62 62 GLY H H 6.95 0.02 1 714 62 62 GLY HA2 H 1.84 0.02 2 715 62 62 GLY HA3 H 3.82 0.02 2 716 62 62 GLY C C 169.3 0.2 1 717 62 62 GLY CA C 44.6 0.2 1 718 62 62 GLY N N 106.1 0.2 1 719 63 63 ILE H H 8.65 0.02 1 720 63 63 ILE HA H 5.10 0.02 1 721 63 63 ILE HB H 1.96 0.02 1 722 63 63 ILE HG12 H 1.12 0.02 2 723 63 63 ILE HG13 H 1.43 0.02 2 724 63 63 ILE HG2 H 1.36 0.02 1 725 63 63 ILE HD1 H 0.84 0.02 1 726 63 63 ILE C C 174.3 0.2 1 727 63 63 ILE CA C 60.5 0.2 1 728 63 63 ILE CB C 41.5 0.2 1 729 63 63 ILE CG1 C 28.0 0.2 1 730 63 63 ILE CG2 C 18.3 0.2 1 731 63 63 ILE CD1 C 14.9 0.2 1 732 63 63 ILE N N 120.5 0.2 1 733 64 64 ALA H H 10.55 0.02 1 734 64 64 ALA HA H 5.41 0.02 1 735 64 64 ALA HB H 1.41 0.02 1 736 64 64 ALA C C 174.5 0.2 1 737 64 64 ALA CA C 49.9 0.2 1 738 64 64 ALA CB C 23.3 0.2 1 739 64 64 ALA N N 130.7 0.2 1 740 65 65 GLU H H 9.52 0.02 1 741 65 65 GLU HA H 5.21 0.02 1 742 65 65 GLU HB2 H 1.70 0.02 2 743 65 65 GLU HB3 H 1.85 0.02 2 744 65 65 GLU HG2 H 1.97 0.02 2 745 65 65 GLU HG3 H 2.11 0.02 2 746 65 65 GLU C C 175.3 0.2 1 747 65 65 GLU CA C 54.3 0.2 1 748 65 65 GLU CB C 34.5 0.2 1 749 65 65 GLU CG C 36.3 0.2 1 750 65 65 GLU N N 121.2 0.2 1 751 66 66 ILE H H 8.69 0.02 1 752 66 66 ILE HA H 4.28 0.02 1 753 66 66 ILE HB H 2.11 0.02 1 754 66 66 ILE HG12 H 1.10 0.02 2 755 66 66 ILE HG13 H 1.44 0.02 2 756 66 66 ILE HG2 H 0.59 0.02 1 757 66 66 ILE HD1 H 0.53 0.02 1 758 66 66 ILE C C 176.2 0.2 1 759 66 66 ILE CA C 61.3 0.2 1 760 66 66 ILE CB C 35.9 0.2 1 761 66 66 ILE CG1 C 30.1 0.2 1 762 66 66 ILE CG2 C 18.7 0.2 1 763 66 66 ILE CD1 C 12.3 0.2 1 764 66 66 ILE N N 126.5 0.2 1 765 67 67 ILE H H 8.70 0.02 1 766 67 67 ILE HA H 4.76 0.02 1 767 67 67 ILE HB H 2.13 0.02 1 768 67 67 ILE HG12 H 0.56 0.02 2 769 67 67 ILE HG13 H 1.24 0.02 2 770 67 67 ILE HG2 H 0.84 0.02 1 771 67 67 ILE HD1 H 0.78 0.02 1 772 67 67 ILE C C 175.5 0.2 1 773 67 67 ILE CA C 61.4 0.2 1 774 67 67 ILE CB C 39.5 0.2 1 775 67 67 ILE CG1 C 26.7 0.2 1 776 67 67 ILE CG2 C 18.3 0.2 1 777 67 67 ILE CD1 C 14.4 0.2 1 778 67 67 ILE N N 121.1 0.2 1 779 68 68 ARG H H 7.49 0.02 1 780 68 68 ARG HA H 4.41 0.02 1 781 68 68 ARG HB2 H 1.65 0.02 2 782 68 68 ARG HB3 H 1.76 0.02 2 783 68 68 ARG HG2 H 1.64 0.02 2 784 68 68 ARG HG3 H 2.12 0.02 2 785 68 68 ARG HD2 H 2.74 0.02 2 786 68 68 ARG HD3 H 2.83 0.02 2 787 68 68 ARG HE H 6.62 0.02 1 788 68 68 ARG C C 174.4 0.2 1 789 68 68 ARG CA C 58.0 0.2 1 790 68 68 ARG CB C 34.4 0.2 1 791 68 68 ARG CG C 27.2 0.2 1 792 68 68 ARG CD C 43.8 0.2 1 793 68 68 ARG N N 123.1 0.2 1 794 68 68 ARG NE N 84.4 0.2 1 795 69 69 GLU H H 8.52 0.02 1 796 69 69 GLU HA H 3.84 0.02 1 797 69 69 GLU HB2 H 1.95 0.02 2 798 69 69 GLU HB3 H 2.21 0.02 2 799 69 69 GLU HG2 H 2.29 0.02 2 800 69 69 GLU HG3 H 2.43 0.02 2 801 69 69 GLU C C 174.6 0.2 1 802 69 69 GLU CA C 56.5 0.2 1 803 69 69 GLU CB C 29.8 0.2 1 804 69 69 GLU CG C 37.4 0.2 1 805 69 69 GLU N N 124.2 0.2 1 806 70 70 ALA H H 8.93 0.02 1 807 70 70 ALA HA H 4.76 0.02 1 808 70 70 ALA HB H 1.08 0.02 1 809 70 70 ALA C C 176.5 0.2 1 810 70 70 ALA CA C 52.6 0.2 1 811 70 70 ALA CB C 19.0 0.2 1 812 70 70 ALA N N 118.4 0.2 1 813 71 71 TYR H H 8.73 0.02 1 814 71 71 TYR HA H 5.02 0.02 1 815 71 71 TYR HB2 H 2.98 0.02 1 816 71 71 TYR HB3 H 2.98 0.02 1 817 71 71 TYR HD1 H 7.29 0.02 1 818 71 71 TYR HD2 H 7.29 0.02 1 819 71 71 TYR HE1 H 6.31 0.02 1 820 71 71 TYR HE2 H 6.31 0.02 1 821 71 71 TYR CA C 54.6 0.2 1 822 71 71 TYR CB C 37.0 0.2 1 823 71 71 TYR CD1 C 135.4 0.02 1 824 71 71 TYR CD2 C 135.4 0.02 1 825 71 71 TYR CE1 C 116.3 0.02 1 826 71 71 TYR CE2 C 116.3 0.02 1 827 71 71 TYR N N 120.8 0.2 1 828 72 72 PRO HA H 4.24 0.02 1 829 72 72 PRO HB2 H 1.77 0.02 2 830 72 72 PRO HB3 H 2.34 0.02 2 831 72 72 PRO HG2 H 1.92 0.02 2 832 72 72 PRO HG3 H 2.16 0.02 2 833 72 72 PRO HD2 H 3.74 0.02 2 834 72 72 PRO HD3 H 3.91 0.02 2 835 72 72 PRO C C 175.7 0.2 1 836 72 72 PRO CA C 64.1 0.2 1 837 72 72 PRO CB C 31.7 0.2 1 838 72 72 PRO CG C 28.3 0.2 1 839 72 72 PRO CD C 50.6 0.2 1 840 73 73 ASP H H 7.88 0.02 1 841 73 73 ASP HA H 4.64 0.02 1 842 73 73 ASP HB2 H 2.11 0.02 2 843 73 73 ASP HB3 H 2.63 0.02 2 844 73 73 ASP CA C 51.4 0.2 1 845 73 73 ASP CB C 41.3 0.2 1 846 73 73 ASP N N 123.2 0.2 1 847 74 74 PRO HA H 4.45 0.02 1 848 74 74 PRO HB2 H 2.04 0.02 2 849 74 74 PRO HB3 H 2.34 0.02 2 850 74 74 PRO HG2 H 1.96 0.02 2 851 74 74 PRO HG3 H 2.16 0.02 2 852 74 74 PRO HD2 H 3.99 0.02 2 853 74 74 PRO HD3 H 4.23 0.02 2 854 74 74 PRO C C 177.9 0.2 1 855 74 74 PRO CA C 64.2 0.2 1 856 74 74 PRO CB C 32.2 0.2 1 857 74 74 PRO CG C 26.7 0.2 1 858 74 74 PRO CD C 51.6 0.2 1 859 75 75 THR H H 8.63 0.02 1 860 75 75 THR HA H 4.29 0.02 1 861 75 75 THR HB H 4.27 0.02 1 862 75 75 THR HG2 H 1.11 0.02 1 863 75 75 THR C C 173.7 0.2 1 864 75 75 THR CA C 62.0 0.2 1 865 75 75 THR CB C 69.8 0.2 1 866 75 75 THR CG2 C 21.7 0.2 1 867 75 75 THR N N 109.7 0.2 1 868 76 76 ASP H H 7.64 0.02 1 869 76 76 ASP HA H 4.79 0.02 1 870 76 76 ASP HB2 H 2.33 0.02 2 871 76 76 ASP HB3 H 3.15 0.02 2 872 76 76 ASP C C 175.9 0.2 1 873 76 76 ASP CA C 52.2 0.2 1 874 76 76 ASP CB C 42.6 0.2 1 875 76 76 ASP N N 121.9 0.2 1 876 77 77 ALA H H 9.03 0.02 1 877 77 77 ALA HA H 4.17 0.02 1 878 77 77 ALA HB H 1.43 0.02 1 879 77 77 ALA C C 178.5 0.2 1 880 77 77 ALA CA C 54.0 0.2 1 881 77 77 ALA CB C 18.5 0.2 1 882 77 77 ALA N N 129.6 0.2 1 883 78 78 SER H H 8.42 0.02 1 884 78 78 SER HA H 4.35 0.02 1 885 78 78 SER HB2 H 4.01 0.02 1 886 78 78 SER HB3 H 4.01 0.02 1 887 78 78 SER C C 175.9 0.2 1 888 78 78 SER CA C 59.9 0.2 1 889 78 78 SER CB C 65.0 0.2 1 890 78 78 SER N N 113.6 0.2 1 891 79 79 GLY H H 7.39 0.02 1 892 79 79 GLY HA2 H 3.96 0.02 2 893 79 79 GLY HA3 H 4.04 0.02 2 894 79 79 GLY C C 174.3 0.2 1 895 79 79 GLY CA C 46.6 0.2 1 896 79 79 GLY N N 110.1 0.2 1 897 80 80 LYS H H 8.10 0.02 1 898 80 80 LYS HA H 4.12 0.02 1 899 80 80 LYS HB2 H 1.18 0.02 2 900 80 80 LYS HB3 H 1.24 0.02 2 901 80 80 LYS HG2 H 1.08 0.02 2 902 80 80 LYS HG3 H 1.19 0.02 2 903 80 80 LYS HD2 H 1.46 0.02 1 904 80 80 LYS HD3 H 1.46 0.02 1 905 80 80 LYS HE2 H 2.87 0.02 1 906 80 80 LYS HE3 H 2.87 0.02 1 907 80 80 LYS C C 176.7 0.2 1 908 80 80 LYS CA C 56.7 0.2 1 909 80 80 LYS CB C 34.0 0.2 1 910 80 80 LYS CG C 24.7 0.2 1 911 80 80 LYS CD C 28.4 0.2 1 912 80 80 LYS CE C 41.5 0.2 1 913 80 80 LYS N N 119.7 0.2 1 914 81 81 PHE H H 9.00 0.02 1 915 81 81 PHE HA H 4.57 0.02 1 916 81 81 PHE HB2 H 2.67 0.02 2 917 81 81 PHE HB3 H 3.49 0.02 2 918 81 81 PHE HD1 H 7.24 0.02 1 919 81 81 PHE HD2 H 7.24 0.02 1 920 81 81 PHE HE1 H 6.92 0.02 1 921 81 81 PHE HE2 H 6.92 0.02 1 922 81 81 PHE HZ H 6.90 0.02 1 923 81 81 PHE C C 175.9 0.2 1 924 81 81 PHE CA C 59.0 0.2 1 925 81 81 PHE CB C 40.0 0.2 1 926 81 81 PHE CD1 C 132.2 0.02 1 927 81 81 PHE CD2 C 132.2 0.02 1 928 81 81 PHE CE1 C 130.8 0.02 1 929 81 81 PHE CE2 C 130.8 0.02 1 930 81 81 PHE CZ C 130.2 0.2 1 931 81 81 PHE N N 117.7 0.2 1 932 82 82 VAL H H 8.03 0.02 1 933 82 82 VAL HA H 5.14 0.02 1 934 82 82 VAL HB H 2.06 0.02 1 935 82 82 VAL HG1 H 0.59 0.02 1 936 82 82 VAL HG2 H 0.71 0.02 1 937 82 82 VAL C C 174.3 0.2 1 938 82 82 VAL CA C 59.2 0.2 1 939 82 82 VAL CB C 35.9 0.2 1 940 82 82 VAL CG1 C 20.8 0.02 1 941 82 82 VAL CG2 C 18.4 0.02 1 942 82 82 VAL N N 110.3 0.2 1 943 83 83 CYS H H 9.19 0.02 1 944 83 83 CYS HA H 4.77 0.02 1 945 83 83 CYS HB2 H 2.09 0.02 2 946 83 83 CYS HB3 H 2.04 0.02 2 947 83 83 CYS C C 171.4 0.2 1 948 83 83 CYS CA C 56.1 0.2 1 949 83 83 CYS CB C 31.2 0.2 1 950 83 83 CYS N N 118.0 0.2 1 951 84 84 VAL H H 6.48 0.02 1 952 84 84 VAL HA H 4.48 0.02 1 953 84 84 VAL HB H 2.44 0.02 1 954 84 84 VAL HG1 H 0.82 0.02 1 955 84 84 VAL HG2 H 0.65 0.02 1 956 84 84 VAL C C 174.0 0.2 1 957 84 84 VAL CA C 59.3 0.2 1 958 84 84 VAL CB C 34.9 0.2 1 959 84 84 VAL CG1 C 21.4 0.02 1 960 84 84 VAL CG2 C 16.7 0.02 1 961 84 84 VAL N N 108.8 0.2 1 962 85 85 ASP H H 8.10 0.02 1 963 85 85 ASP HA H 6.01 0.02 1 964 85 85 ASP HB2 H 2.39 0.02 2 965 85 85 ASP HB3 H 2.56 0.02 2 966 85 85 ASP C C 176.7 0.2 1 967 85 85 ASP CA C 53.4 0.2 1 968 85 85 ASP CB C 41.6 0.2 1 969 85 85 ASP N N 118.5 0.2 1 970 86 86 ILE H H 8.81 0.02 1 971 86 86 ILE HA H 5.42 0.02 1 972 86 86 ILE HB H 1.63 0.02 1 973 86 86 ILE HG12 H 1.07 0.02 2 974 86 86 ILE HG13 H 1.44 0.02 2 975 86 86 ILE HG2 H 0.62 0.02 1 976 86 86 ILE HD1 H 0.25 0.02 1 977 86 86 ILE C C 173.7 0.2 1 978 86 86 ILE CA C 58.8 0.2 1 979 86 86 ILE CB C 42.3 0.2 1 980 86 86 ILE CG1 C 26.4 0.2 1 981 86 86 ILE CG2 C 17.2 0.2 1 982 86 86 ILE CD1 C 13.5 0.2 1 983 86 86 ILE N N 116.6 0.2 1 984 87 87 LYS H H 9.15 0.02 1 985 87 87 LYS HA H 5.03 0.02 1 986 87 87 LYS HB2 H 1.56 0.02 2 987 87 87 LYS HB3 H 1.97 0.02 2 988 87 87 LYS HG2 H 1.20 0.02 2 989 87 87 LYS HG3 H 1.36 0.02 2 990 87 87 LYS HD2 H 1.69 0.02 1 991 87 87 LYS HD3 H 1.69 0.02 1 992 87 87 LYS HE2 H 2.76 0.02 2 993 87 87 LYS HE3 H 2.91 0.02 2 994 87 87 LYS C C 175.4 0.2 1 995 87 87 LYS CA C 53.5 0.2 1 996 87 87 LYS CB C 36.7 0.2 1 997 87 87 LYS CG C 23.6 0.2 1 998 87 87 LYS CD C 29.8 0.2 1 999 87 87 LYS CE C 41.9 0.2 1 1000 87 87 LYS N N 118.9 0.2 1 1001 88 88 ALA H H 9.32 0.02 1 1002 88 88 ALA HA H 3.98 0.02 1 1003 88 88 ALA HB H 0.81 0.02 1 1004 88 88 ALA C C 175.2 0.2 1 1005 88 88 ALA CA C 53.7 0.2 1 1006 88 88 ALA CB C 19.9 0.2 1 1007 88 88 ALA N N 125.5 0.2 1 1008 89 89 ASP H H 9.39 0.02 1 1009 89 89 ASP HA H 5.04 0.02 1 1010 89 89 ASP HB2 H 2.88 0.02 2 1011 89 89 ASP HB3 H 2.55 0.02 2 1012 89 89 ASP C C 175.0 0.2 1 1013 89 89 ASP CA C 55.3 0.2 1 1014 89 89 ASP CB C 43.0 0.2 1 1015 89 89 ASP N N 123.3 0.2 1 1016 90 90 LYS H H 7.90 0.02 1 1017 90 90 LYS HA H 5.17 0.02 1 1018 90 90 LYS HB2 H 1.79 0.02 2 1019 90 90 LYS HB3 H 2.00 0.02 2 1020 90 90 LYS HG2 H 1.35 0.02 1 1021 90 90 LYS HG3 H 1.35 0.02 1 1022 90 90 LYS HD2 H 1.69 0.02 1 1023 90 90 LYS HD3 H 1.69 0.02 1 1024 90 90 LYS HE2 H 2.97 0.02 1 1025 90 90 LYS HE3 H 2.97 0.02 1 1026 90 90 LYS CA C 53.4 0.2 1 1027 90 90 LYS CB C 32.8 0.2 1 1028 90 90 LYS CG C 22.2 0.2 1 1029 90 90 LYS CD C 29.0 0.2 1 1030 90 90 LYS CE C 41.8 0.2 1 1031 90 90 LYS N N 112.5 0.2 1 1032 91 91 PRO HA H 4.55 0.02 1 1033 91 91 PRO HB2 H 2.12 0.02 2 1034 91 91 PRO HB3 H 2.38 0.02 2 1035 91 91 PRO HG2 H 2.02 0.02 2 1036 91 91 PRO HG3 H 2.25 0.02 2 1037 91 91 PRO HD2 H 3.91 0.02 2 1038 91 91 PRO HD3 H 4.02 0.02 2 1039 91 91 PRO C C 176.8 0.2 1 1040 91 91 PRO CA C 61.9 0.2 1 1041 91 91 PRO CB C 31.7 0.2 1 1042 91 91 PRO CG C 26.7 0.2 1 1043 91 91 PRO CD C 50.3 0.2 1 1044 92 92 LEU H H 6.90 0.02 1 1045 92 92 LEU HA H 4.04 0.02 1 1046 92 92 LEU HB2 H 0.87 0.02 2 1047 92 92 LEU HB3 H 1.53 0.02 2 1048 92 92 LEU HG H 1.13 0.02 1 1049 92 92 LEU HD1 H 0.50 0.02 1 1050 92 92 LEU HD2 H 0.62 0.02 1 1051 92 92 LEU C C 177.0 0.2 1 1052 92 92 LEU CA C 55.4 0.2 1 1053 92 92 LEU CB C 40.7 0.2 1 1054 92 92 LEU CG C 29.2 0.2 1 1055 92 92 LEU CD1 C 25.2 0.02 1 1056 92 92 LEU CD2 C 23.9 0.02 1 1057 92 92 LEU N N 119.0 0.2 1 1058 93 93 LYS H H 7.14 0.02 1 1059 93 93 LYS HA H 4.00 0.02 1 1060 93 93 LYS HB2 H 1.86 0.02 2 1061 93 93 LYS HB3 H 1.97 0.02 2 1062 93 93 LYS HG2 H 1.39 0.02 2 1063 93 93 LYS HG3 H 1.47 0.02 2 1064 93 93 LYS HD2 H 1.70 0.02 1 1065 93 93 LYS HD3 H 1.70 0.02 1 1066 93 93 LYS HE2 H 2.97 0.02 1 1067 93 93 LYS HE3 H 2.97 0.02 1 1068 93 93 LYS C C 177.0 0.2 1 1069 93 93 LYS CA C 59.0 0.2 1 1070 93 93 LYS CB C 32.3 0.2 1 1071 93 93 LYS CG C 25.2 0.2 1 1072 93 93 LYS CD C 28.9 0.2 1 1073 93 93 LYS CE C 41.7 0.2 1 1074 93 93 LYS N N 123.2 0.2 1 1075 94 94 THR H H 7.63 0.02 1 1076 94 94 THR HA H 4.55 0.02 1 1077 94 94 THR HB H 3.79 0.02 1 1078 94 94 THR HG2 H 1.11 0.02 1 1079 94 94 THR CA C 57.9 0.2 1 1080 94 94 THR CB C 71.1 0.2 1 1081 94 94 THR CG2 C 21.3 0.2 1 1082 94 94 THR N N 113.5 0.2 1 1083 95 95 PRO HA H 4.23 0.02 1 1084 95 95 PRO HB2 H 1.53 0.02 2 1085 95 95 PRO HB3 H 1.82 0.02 2 1086 95 95 PRO HG2 H 1.80 0.02 2 1087 95 95 PRO HG3 H 1.98 0.02 2 1088 95 95 PRO HD2 H 3.55 0.02 2 1089 95 95 PRO HD3 H 3.66 0.02 2 1090 95 95 PRO C C 176.7 0.2 1 1091 95 95 PRO CA C 63.0 0.2 1 1092 95 95 PRO CB C 32.5 0.2 1 1093 95 95 PRO CG C 27.6 0.2 1 1094 95 95 PRO CD C 50.8 0.2 1 1095 96 96 VAL H H 7.85 0.02 1 1096 96 96 VAL HA H 4.11 0.02 1 1097 96 96 VAL HB H 1.44 0.02 1 1098 96 96 VAL HG1 H 0.72 0.02 2 1099 96 96 VAL HG2 H 0.72 0.02 2 1100 96 96 VAL C C 175.5 0.2 1 1101 96 96 VAL CA C 61.4 0.2 1 1102 96 96 VAL CB C 32.9 0.2 1 1103 96 96 VAL CG1 C 21.2 0.02 2 1104 96 96 VAL CG2 C 21.4 0.02 2 1105 96 96 VAL N N 124.1 0.2 1 1106 97 97 THR H H 8.31 0.02 1 1107 97 97 THR HA H 4.46 0.02 1 1108 97 97 THR HB H 4.90 0.02 1 1109 97 97 THR HG1 H 5.50 0.02 1 1110 97 97 THR HG2 H 1.38 0.02 1 1111 97 97 THR C C 174.8 0.2 1 1112 97 97 THR CA C 61.0 0.2 1 1113 97 97 THR CB C 70.6 0.2 1 1114 97 97 THR CG2 C 22.1 0.2 1 1115 97 97 THR N N 119.2 0.2 1 1116 98 98 LEU H H 8.73 0.02 1 1117 98 98 LEU HA H 3.94 0.02 1 1118 98 98 LEU HB2 H 1.85 0.02 2 1119 98 98 LEU HB3 H 1.91 0.02 2 1120 98 98 LEU HG H 1.52 0.02 1 1121 98 98 LEU HD1 H 0.80 0.02 1 1122 98 98 LEU HD2 H 0.95 0.02 1 1123 98 98 LEU C C 178.5 0.2 1 1124 98 98 LEU CA C 57.9 0.2 1 1125 98 98 LEU CB C 41.7 0.2 1 1126 98 98 LEU CG C 26.9 0.2 1 1127 98 98 LEU CD1 C 22.6 0.02 1 1128 98 98 LEU CD2 C 25.4 0.02 1 1129 98 98 LEU N N 121.8 0.2 1 1130 99 99 ALA H H 8.11 0.02 1 1131 99 99 ALA HA H 3.92 0.02 1 1132 99 99 ALA HB H 1.36 0.02 1 1133 99 99 ALA C C 180.0 0.2 1 1134 99 99 ALA CA C 55.0 0.2 1 1135 99 99 ALA CB C 18.1 0.2 1 1136 99 99 ALA N N 118.0 0.2 1 1137 100 100 ALA H H 8.13 0.02 1 1138 100 100 ALA HA H 3.96 0.02 1 1139 100 100 ALA HB H 1.41 0.02 1 1140 100 100 ALA C C 180.7 0.2 1 1141 100 100 ALA CA C 54.9 0.2 1 1142 100 100 ALA CB C 18.0 0.2 1 1143 100 100 ALA N N 123.0 0.2 1 1144 101 101 VAL H H 7.87 0.02 1 1145 101 101 VAL HA H 3.36 0.02 1 1146 101 101 VAL HB H 2.19 0.02 1 1147 101 101 VAL HG1 H 0.91 0.02 1 1148 101 101 VAL HG2 H 0.73 0.02 1 1149 101 101 VAL C C 178.5 0.2 1 1150 101 101 VAL CA C 66.9 0.2 1 1151 101 101 VAL CB C 31.5 0.2 1 1152 101 101 VAL CG1 C 21.7 0.02 1 1153 101 101 VAL CG2 C 22.1 0.02 1 1154 101 101 VAL N N 119.5 0.2 1 1155 102 102 LYS H H 8.44 0.02 1 1156 102 102 LYS HA H 3.94 0.02 1 1157 102 102 LYS HB2 H 1.74 0.02 2 1158 102 102 LYS HB3 H 1.81 0.02 2 1159 102 102 LYS HG2 H 1.36 0.02 2 1160 102 102 LYS HG3 H 1.53 0.02 2 1161 102 102 LYS HD2 H 1.60 0.02 1 1162 102 102 LYS HD3 H 1.60 0.02 1 1163 102 102 LYS HE2 H 2.84 0.02 2 1164 102 102 LYS HE3 H 2.90 0.02 2 1165 102 102 LYS C C 177.0 0.2 1 1166 102 102 LYS CA C 58.9 0.2 1 1167 102 102 LYS CB C 32.7 0.2 1 1168 102 102 LYS CG C 25.7 0.2 1 1169 102 102 LYS CD C 29.7 0.2 1 1170 102 102 LYS CE C 41.6 0.2 1 1171 102 102 LYS N N 118.9 0.2 1 1172 103 103 ALA H H 7.15 0.02 1 1173 103 103 ALA HA H 4.24 0.02 1 1174 103 103 ALA HB H 1.40 0.02 1 1175 103 103 ALA C C 176.0 0.2 1 1176 103 103 ALA CA C 51.9 0.2 1 1177 103 103 ALA CB C 19.1 0.2 1 1178 103 103 ALA N N 117.6 0.2 1 1179 104 104 GLU H H 7.41 0.02 1 1180 104 104 GLU HA H 4.82 0.02 1 1181 104 104 GLU HB2 H 1.97 0.02 2 1182 104 104 GLU HB3 H 2.28 0.02 2 1183 104 104 GLU HG2 H 1.97 0.02 2 1184 104 104 GLU HG3 H 2.31 0.02 2 1185 104 104 GLU CA C 51.5 0.2 1 1186 104 104 GLU CB C 30.4 0.2 1 1187 104 104 GLU CG C 38.0 0.2 1 1188 104 104 GLU N N 122.2 0.2 1 1189 105 105 PRO HA H 4.31 0.02 1 1190 105 105 PRO HB2 H 1.94 0.02 2 1191 105 105 PRO HB3 H 2.36 0.02 2 1192 105 105 PRO HG2 H 1.98 0.02 2 1193 105 105 PRO HG3 H 2.03 0.02 2 1194 105 105 PRO HD2 H 3.87 0.02 2 1195 105 105 PRO HD3 H 4.12 0.02 2 1196 105 105 PRO C C 179.4 0.2 1 1197 105 105 PRO CA C 65.2 0.2 1 1198 105 105 PRO CB C 32.3 0.2 1 1199 105 105 PRO CG C 27.3 0.2 1 1200 105 105 PRO CD C 51.8 0.2 1 1201 106 106 ARG H H 9.45 0.02 1 1202 106 106 ARG HA H 4.18 0.02 1 1203 106 106 ARG HB2 H 1.56 0.02 2 1204 106 106 ARG HB3 H 1.89 0.02 2 1205 106 106 ARG HG2 H 1.71 0.02 2 1206 106 106 ARG HG3 H 1.78 0.02 2 1207 106 106 ARG HD2 H 3.11 0.02 2 1208 106 106 ARG HD3 H 3.20 0.02 2 1209 106 106 ARG HE H 7.11 0.02 1 1210 106 106 ARG C C 177.4 0.2 1 1211 106 106 ARG CA C 58.1 0.2 1 1212 106 106 ARG CB C 30.3 0.2 1 1213 106 106 ARG CG C 27.6 0.2 1 1214 106 106 ARG CD C 43.5 0.2 1 1215 106 106 ARG N N 116.0 0.2 1 1216 106 106 ARG NE N 84.8 0.2 1 1217 107 107 LEU H H 8.00 0.02 1 1218 107 107 LEU HA H 4.67 0.02 1 1219 107 107 LEU HB2 H 1.86 0.02 1 1220 107 107 LEU HB3 H 1.86 0.02 1 1221 107 107 LEU HG H 1.35 0.02 1 1222 107 107 LEU HD1 H 0.86 0.02 1 1223 107 107 LEU HD2 H 1.02 0.02 1 1224 107 107 LEU C C 176.3 0.2 1 1225 107 107 LEU CA C 53.7 0.2 1 1226 107 107 LEU CB C 40.9 0.2 1 1227 107 107 LEU CG C 27.4 0.2 1 1228 107 107 LEU CD1 C 27.0 0.02 1 1229 107 107 LEU CD2 C 23.2 0.02 1 1230 107 107 LEU N N 118.5 0.2 1 1231 108 108 ALA H H 7.10 0.02 1 1232 108 108 ALA HA H 3.94 0.02 1 1233 108 108 ALA HB H 1.38 0.02 1 1234 108 108 ALA C C 177.8 0.2 1 1235 108 108 ALA CA C 55.2 0.2 1 1236 108 108 ALA CB C 19.3 0.2 1 1237 108 108 ALA N N 120.0 0.2 1 1238 109 109 ASP H H 8.02 0.02 1 1239 109 109 ASP HA H 4.74 0.02 1 1240 109 109 ASP HB2 H 2.42 0.02 2 1241 109 109 ASP HB3 H 2.80 0.02 2 1242 109 109 ASP C C 175.8 0.2 1 1243 109 109 ASP CA C 53.3 0.2 1 1244 109 109 ASP CB C 41.4 0.2 1 1245 109 109 ASP N N 112.7 0.2 1 1246 110 110 MET H H 7.74 0.02 1 1247 110 110 MET HA H 4.37 0.02 1 1248 110 110 MET HB2 H 1.89 0.02 1 1249 110 110 MET HB3 H 1.89 0.02 1 1250 110 110 MET HG2 H 2.73 0.02 2 1251 110 110 MET HG3 H 2.89 0.02 2 1252 110 110 MET HE H 2.10 0.02 1 1253 110 110 MET C C 177.9 0.2 1 1254 110 110 MET CA C 57.0 0.2 1 1255 110 110 MET CB C 34.2 0.2 1 1256 110 110 MET CG C 33.2 0.2 1 1257 110 110 MET CE C 17.4 0.2 1 1258 110 110 MET N N 124.1 0.2 1 1259 111 111 ALA H H 9.91 0.02 1 1260 111 111 ALA HA H 4.09 0.02 1 1261 111 111 ALA HB H 1.60 0.02 1 1262 111 111 ALA C C 178.6 0.2 1 1263 111 111 ALA CA C 56.2 0.2 1 1264 111 111 ALA CB C 17.3 0.2 1 1265 111 111 ALA N N 131.5 0.2 1 1266 112 112 LEU H H 7.44 0.02 1 1267 112 112 LEU HA H 4.10 0.02 1 1268 112 112 LEU HB2 H 1.43 0.02 2 1269 112 112 LEU HB3 H 1.52 0.02 2 1270 112 112 LEU HG H 1.30 0.02 1 1271 112 112 LEU HD1 H 0.21 0.02 1 1272 112 112 LEU HD2 H 0.48 0.02 1 1273 112 112 LEU C C 178.4 0.2 1 1274 112 112 LEU CA C 57.0 0.2 1 1275 112 112 LEU CB C 43.1 0.2 1 1276 112 112 LEU CG C 26.5 0.2 1 1277 112 112 LEU CD1 C 21.4 0.02 1 1278 112 112 LEU CD2 C 24.9 0.02 1 1279 112 112 LEU N N 118.4 0.2 1 1280 113 113 MET H H 7.29 0.02 1 1281 113 113 MET HA H 4.32 0.02 1 1282 113 113 MET HB2 H 1.92 0.02 2 1283 113 113 MET HB3 H 2.29 0.02 2 1284 113 113 MET HG2 H 1.98 0.02 2 1285 113 113 MET HG3 H 2.77 0.02 2 1286 113 113 MET HE H 1.93 0.02 1 1287 113 113 MET C C 177.5 0.2 1 1288 113 113 MET CA C 55.2 0.2 1 1289 113 113 MET CB C 34.5 0.2 1 1290 113 113 MET CG C 32.6 0.2 1 1291 113 113 MET CE C 18.9 0.2 1 1292 113 113 MET N N 112.4 0.2 1 1293 114 114 LYS H H 7.45 0.02 1 1294 114 114 LYS HA H 4.06 0.02 1 1295 114 114 LYS HB2 H 1.11 0.02 2 1296 114 114 LYS HB3 H 1.25 0.02 2 1297 114 114 LYS HG2 H 1.04 0.02 2 1298 114 114 LYS HG3 H 1.19 0.02 2 1299 114 114 LYS HD2 H 1.53 0.02 1 1300 114 114 LYS HD3 H 1.53 0.02 1 1301 114 114 LYS HE2 H 2.86 0.02 1 1302 114 114 LYS HE3 H 2.86 0.02 1 1303 114 114 LYS C C 176.7 0.2 1 1304 114 114 LYS CA C 57.3 0.2 1 1305 114 114 LYS CB C 34.0 0.2 1 1306 114 114 LYS CG C 24.5 0.2 1 1307 114 114 LYS CD C 28.7 0.2 1 1308 114 114 LYS CE C 42.0 0.2 1 1309 114 114 LYS N N 118.2 0.2 1 1310 115 115 TYR H H 8.38 0.02 1 1311 115 115 TYR HA H 5.00 0.02 1 1312 115 115 TYR HB2 H 2.86 0.02 2 1313 115 115 TYR HB3 H 3.22 0.02 2 1314 115 115 TYR HD1 H 7.20 0.02 1 1315 115 115 TYR HD2 H 7.20 0.02 1 1316 115 115 TYR HE1 H 6.89 0.02 1 1317 115 115 TYR HE2 H 6.89 0.02 1 1318 115 115 TYR C C 176.8 0.2 1 1319 115 115 TYR CA C 55.9 0.2 1 1320 115 115 TYR CB C 38.6 0.2 1 1321 115 115 TYR CD1 C 133.4 0.02 1 1322 115 115 TYR CD2 C 133.4 0.02 1 1323 115 115 TYR CE1 C 118.0 0.02 1 1324 115 115 TYR CE2 C 118.0 0.02 1 1325 115 115 TYR N N 119.3 0.2 1 1326 116 116 SER H H 8.51 0.02 1 1327 116 116 SER HA H 4.14 0.02 1 1328 116 116 SER HB2 H 3.91 0.02 1 1329 116 116 SER HB3 H 3.91 0.02 1 1330 116 116 SER C C 175.7 0.2 1 1331 116 116 SER CA C 61.2 0.2 1 1332 116 116 SER CB C 63.3 0.2 1 1333 116 116 SER N N 119.1 0.2 1 1334 117 117 ARG H H 8.67 0.02 1 1335 117 117 ARG HA H 4.47 0.02 1 1336 117 117 ARG HB2 H 1.81 0.02 2 1337 117 117 ARG HB3 H 2.07 0.02 2 1338 117 117 ARG HG2 H 1.61 0.02 2 1339 117 117 ARG HG3 H 1.71 0.02 2 1340 117 117 ARG HD2 H 3.21 0.02 1 1341 117 117 ARG HD3 H 3.21 0.02 1 1342 117 117 ARG HE H 7.24 0.02 1 1343 117 117 ARG C C 175.9 0.2 1 1344 117 117 ARG CA C 55.7 0.2 1 1345 117 117 ARG CB C 30.0 0.2 1 1346 117 117 ARG CG C 27.5 0.2 1 1347 117 117 ARG CD C 43.0 0.2 1 1348 117 117 ARG N N 119.1 0.2 1 1349 117 117 ARG NE N 85.5 0.2 1 1350 118 118 LEU H H 7.16 0.02 1 1351 118 118 LEU HA H 4.44 0.02 1 1352 118 118 LEU HB2 H 1.65 0.02 2 1353 118 118 LEU HB3 H 1.92 0.02 2 1354 118 118 LEU HG H 1.66 0.02 1 1355 118 118 LEU HD1 H 1.04 0.02 1 1356 118 118 LEU HD2 H 0.95 0.02 1 1357 118 118 LEU C C 177.4 0.2 1 1358 118 118 LEU CA C 54.9 0.2 1 1359 118 118 LEU CB C 43.4 0.2 1 1360 118 118 LEU CG C 27.3 0.2 1 1361 118 118 LEU CD1 C 24.0 0.02 1 1362 118 118 LEU CD2 C 26.0 0.02 1 1363 118 118 LEU N N 121.8 0.2 1 1364 119 119 SER H H 9.26 0.02 1 1365 119 119 SER HA H 4.26 0.02 1 1366 119 119 SER HB2 H 4.11 0.02 2 1367 119 119 SER HB3 H 4.26 0.02 2 1368 119 119 SER C C 173.3 0.2 1 1369 119 119 SER CA C 60.3 0.2 1 1370 119 119 SER CB C 64.0 0.2 1 1371 119 119 SER N N 122.2 0.2 1 1372 120 120 VAL H H 6.90 0.02 1 1373 120 120 VAL HA H 4.91 0.02 1 1374 120 120 VAL HB H 2.07 0.02 1 1375 120 120 VAL HG1 H 0.80 0.02 1 1376 120 120 VAL HG2 H 1.15 0.02 1 1377 120 120 VAL C C 174.3 0.2 1 1378 120 120 VAL CA C 62.3 0.2 1 1379 120 120 VAL CB C 34.6 0.2 1 1380 120 120 VAL CG1 C 22.1 0.02 1 1381 120 120 VAL CG2 C 20.7 0.02 1 1382 120 120 VAL N N 121.0 0.2 1 1383 121 121 GLN H H 9.24 0.02 1 1384 121 121 GLN HA H 4.95 0.02 1 1385 121 121 GLN HB2 H 1.90 0.02 1 1386 121 121 GLN HB3 H 1.90 0.02 1 1387 121 121 GLN HG2 H 2.03 0.02 2 1388 121 121 GLN HG3 H 1.86 0.02 2 1389 121 121 GLN HE21 H 7.59 0.02 2 1390 121 121 GLN HE22 H 6.17 0.02 2 1391 121 121 GLN CA C 51.6 0.2 1 1392 121 121 GLN CB C 31.8 0.2 1 1393 121 121 GLN CD C 176.3 0.2 1 1394 121 121 GLN N N 119.9 0.2 1 1395 121 121 GLN NE2 N 106.9 0.2 1 1396 122 122 PRO HA H 4.60 0.02 1 1397 122 122 PRO HB2 H 1.70 0.02 2 1398 122 122 PRO HB3 H 1.87 0.02 2 1399 122 122 PRO HG2 H 1.80 0.02 2 1400 122 122 PRO HG3 H 1.99 0.02 2 1401 122 122 PRO HD2 H 2.43 0.02 2 1402 122 122 PRO HD3 H 3.20 0.02 2 1403 122 122 PRO C C 176.2 0.2 1 1404 122 122 PRO CA C 62.6 0.2 1 1405 122 122 PRO CB C 32.7 0.2 1 1406 122 122 PRO CG C 26.7 0.2 1 1407 122 122 PRO CD C 49.5 0.2 1 1408 123 123 VAL H H 7.50 0.02 1 1409 123 123 VAL HA H 4.14 0.02 1 1410 123 123 VAL HB H 1.60 0.02 1 1411 123 123 VAL HG1 H 1.47 0.02 1 1412 123 123 VAL HG2 H 0.98 0.02 1 1413 123 123 VAL C C 174.3 0.2 1 1414 123 123 VAL CA C 61.8 0.2 1 1415 123 123 VAL CB C 35.8 0.2 1 1416 123 123 VAL CG1 C 22.4 0.02 1 1417 123 123 VAL CG2 C 23.6 0.02 1 1418 123 123 VAL N N 123.5 0.2 1 1419 124 124 THR H H 9.14 0.02 1 1420 124 124 THR HA H 4.42 0.02 1 1421 124 124 THR HB H 4.74 0.02 1 1422 124 124 THR HG1 H 5.50 0.02 1 1423 124 124 THR HG2 H 1.26 0.02 1 1424 124 124 THR C C 175.0 0.2 1 1425 124 124 THR CA C 61.4 0.2 1 1426 124 124 THR CB C 70.7 0.2 1 1427 124 124 THR CG2 C 21.3 0.2 1 1428 124 124 THR N N 118.6 0.2 1 1429 125 125 ALA H H 9.10 0.02 1 1430 125 125 ALA HA H 4.02 0.02 1 1431 125 125 ALA HB H 1.55 0.02 1 1432 125 125 ALA C C 180.0 0.2 1 1433 125 125 ALA CA C 55.5 0.2 1 1434 125 125 ALA CB C 17.8 0.2 1 1435 125 125 ALA N N 122.6 0.2 1 1436 126 126 GLU H H 8.34 0.02 1 1437 126 126 GLU HA H 4.00 0.02 1 1438 126 126 GLU HB2 H 1.98 0.02 1 1439 126 126 GLU HB3 H 1.98 0.02 1 1440 126 126 GLU HG2 H 2.31 0.02 2 1441 126 126 GLU HG3 H 2.38 0.02 2 1442 126 126 GLU C C 179.8 0.2 1 1443 126 126 GLU CA C 59.7 0.2 1 1444 126 126 GLU CB C 29.4 0.2 1 1445 126 126 GLU CG C 36.6 0.2 1 1446 126 126 GLU N N 116.6 0.2 1 1447 127 127 GLU H H 7.77 0.02 1 1448 127 127 GLU HA H 3.71 0.02 1 1449 127 127 GLU HB2 H 1.75 0.02 2 1450 127 127 GLU HB3 H 2.56 0.02 2 1451 127 127 GLU HG2 H 2.22 0.02 2 1452 127 127 GLU HG3 H 2.27 0.02 2 1453 127 127 GLU C C 177.8 0.2 1 1454 127 127 GLU CA C 59.1 0.2 1 1455 127 127 GLU CB C 30.0 0.2 1 1456 127 127 GLU CG C 36.6 0.2 1 1457 127 127 GLU N N 121.6 0.2 1 1458 128 128 TRP H H 8.79 0.02 1 1459 128 128 TRP HA H 3.92 0.02 1 1460 128 128 TRP HB2 H 2.44 0.02 2 1461 128 128 TRP HB3 H 2.72 0.02 2 1462 128 128 TRP HD1 H 6.34 0.02 1 1463 128 128 TRP HE1 H 9.27 0.02 1 1464 128 128 TRP HE3 H 6.34 0.02 1 1465 128 128 TRP HZ2 H 6.93 0.02 1 1466 128 128 TRP HZ3 H 6.16 0.02 1 1467 128 128 TRP HH2 H 6.47 0.02 1 1468 128 128 TRP C C 178.2 0.2 1 1469 128 128 TRP CA C 60.8 0.2 1 1470 128 128 TRP CB C 28.9 0.2 1 1471 128 128 TRP CD1 C 124.4 0.2 1 1472 128 128 TRP CE3 C 121.3 0.2 1 1473 128 128 TRP CZ2 C 111.7 0.2 1 1474 128 128 TRP CZ3 C 119.7 0.2 1 1475 128 128 TRP CH2 C 124.3 0.2 1 1476 128 128 TRP N N 118.7 0.2 1 1477 128 128 TRP NE1 N 127.5 0.2 1 1478 129 129 LYS H H 7.80 0.02 1 1479 129 129 LYS HA H 3.74 0.02 1 1480 129 129 LYS HB2 H 1.84 0.02 1 1481 129 129 LYS HB3 H 1.84 0.02 1 1482 129 129 LYS HG2 H 1.40 0.02 2 1483 129 129 LYS HG3 H 1.66 0.02 2 1484 129 129 LYS HD2 H 1.65 0.02 2 1485 129 129 LYS HD3 H 1.71 0.02 2 1486 129 129 LYS HE2 H 2.90 0.02 1 1487 129 129 LYS HE3 H 2.90 0.02 1 1488 129 129 LYS C C 179.1 0.2 1 1489 129 129 LYS CA C 59.8 0.2 1 1490 129 129 LYS CB C 32.8 0.2 1 1491 129 129 LYS CG C 25.3 0.2 1 1492 129 129 LYS CD C 29.6 0.2 1 1493 129 129 LYS CE C 41.6 0.2 1 1494 129 129 LYS N N 116.7 0.2 1 1495 130 130 LEU H H 7.55 0.02 1 1496 130 130 LEU HA H 4.10 0.02 1 1497 130 130 LEU HB2 H 1.62 0.02 2 1498 130 130 LEU HB3 H 1.65 0.02 2 1499 130 130 LEU HG H 1.62 0.02 1 1500 130 130 LEU HD1 H 0.82 0.02 1 1501 130 130 LEU HD2 H 0.71 0.02 1 1502 130 130 LEU C C 178.5 0.2 1 1503 130 130 LEU CA C 57.9 0.2 1 1504 130 130 LEU CB C 41.6 0.2 1 1505 130 130 LEU CG C 27.2 0.2 1 1506 130 130 LEU CD1 C 23.5 0.02 1 1507 130 130 LEU CD2 C 25.6 0.02 1 1508 130 130 LEU N N 120.1 0.2 1 1509 131 131 VAL H H 8.59 0.02 1 1510 131 131 VAL HA H 3.56 0.02 1 1511 131 131 VAL HB H 1.89 0.02 1 1512 131 131 VAL HG1 H -0.19 0.02 1 1513 131 131 VAL HG2 H 0.74 0.02 1 1514 131 131 VAL C C 178.5 0.2 1 1515 131 131 VAL CA C 66.7 0.2 1 1516 131 131 VAL CB C 30.3 0.2 1 1517 131 131 VAL CG1 C 22.6 0.02 1 1518 131 131 VAL CG2 C 23.6 0.02 1 1519 131 131 VAL N N 120.2 0.2 1 1520 132 132 CYS H H 8.25 0.02 1 1521 132 132 CYS HA H 3.58 0.02 1 1522 132 132 CYS HB2 H 2.43 0.02 2 1523 132 132 CYS HB3 H 2.81 0.02 2 1524 132 132 CYS C C 176.5 0.2 1 1525 132 132 CYS CA C 66.2 0.2 1 1526 132 132 CYS CB C 25.9 0.2 1 1527 132 132 CYS N N 115.8 0.2 1 1528 133 133 LYS H H 7.61 0.02 1 1529 133 133 LYS HA H 3.99 0.02 1 1530 133 133 LYS HB2 H 1.90 0.02 2 1531 133 133 LYS HB3 H 2.04 0.02 2 1532 133 133 LYS HG2 H 1.31 0.02 2 1533 133 133 LYS HG3 H 1.46 0.02 2 1534 133 133 LYS HD2 H 1.59 0.02 2 1535 133 133 LYS HD3 H 1.63 0.02 2 1536 133 133 LYS HE2 H 2.89 0.02 1 1537 133 133 LYS HE3 H 2.89 0.02 1 1538 133 133 LYS C C 181.4 0.2 1 1539 133 133 LYS CA C 59.7 0.2 1 1540 133 133 LYS CB C 32.0 0.2 1 1541 133 133 LYS CG C 25.1 0.2 1 1542 133 133 LYS CD C 29.5 0.2 1 1543 133 133 LYS CE C 41.9 0.2 1 1544 133 133 LYS N N 120.1 0.2 1 1545 134 134 MET H H 8.55 0.02 1 1546 134 134 MET HA H 3.88 0.02 1 1547 134 134 MET HB2 H 2.07 0.02 2 1548 134 134 MET HB3 H 2.26 0.02 2 1549 134 134 MET HG2 H 2.46 0.02 2 1550 134 134 MET HG3 H 2.61 0.02 2 1551 134 134 MET HE H 1.84 0.02 1 1552 134 134 MET C C 177.3 0.2 1 1553 134 134 MET CA C 59.4 0.2 1 1554 134 134 MET CB C 34.0 0.2 1 1555 134 134 MET CG C 31.9 0.2 1 1556 134 134 MET CE C 16.0 0.2 1 1557 134 134 MET N N 123.2 0.2 1 1558 135 135 GLY H H 8.18 0.02 1 1559 135 135 GLY HA2 H 3.20 0.02 2 1560 135 135 GLY HA3 H 4.77 0.02 2 1561 135 135 GLY C C 174.3 0.2 1 1562 135 135 GLY CA C 45.4 0.2 1 1563 135 135 GLY N N 107.5 0.2 1 1564 136 136 GLY H H 7.71 0.02 1 1565 136 136 GLY HA2 H 3.75 0.02 2 1566 136 136 GLY HA3 H 4.04 0.02 2 1567 136 136 GLY C C 174.3 0.2 1 1568 136 136 GLY CA C 46.2 0.2 1 1569 136 136 GLY N N 107.2 0.2 1 1570 137 137 LEU H H 8.10 0.02 1 1571 137 137 LEU HA H 4.44 0.02 1 1572 137 137 LEU HB2 H 1.44 0.02 1 1573 137 137 LEU HB3 H 1.44 0.02 1 1574 137 137 LEU HG H 1.48 0.02 1 1575 137 137 LEU HD1 H 0.79 0.02 1 1576 137 137 LEU HD2 H 0.85 0.02 1 1577 137 137 LEU C C 176.0 0.2 1 1578 137 137 LEU CA C 54.1 0.2 1 1579 137 137 LEU CB C 42.0 0.2 1 1580 137 137 LEU CG C 27.2 0.2 1 1581 137 137 LEU CD1 C 26.3 0.02 1 1582 137 137 LEU CD2 C 23.3 0.02 1 1583 137 137 LEU N N 119.7 0.2 1 1584 138 138 LEU H H 8.25 0.02 1 1585 138 138 LEU HA H 4.36 0.02 1 1586 138 138 LEU HB2 H 1.48 0.02 1 1587 138 138 LEU HB3 H 1.48 0.02 1 1588 138 138 LEU HG H 1.44 0.02 1 1589 138 138 LEU HD1 H 0.86 0.02 1 1590 138 138 LEU HD2 H 0.79 0.02 1 1591 138 138 LEU C C 176.0 0.2 1 1592 138 138 LEU CA C 54.3 0.2 1 1593 138 138 LEU CB C 42.4 0.2 1 1594 138 138 LEU CG C 27.2 0.2 1 1595 138 138 LEU CD1 C 25.0 0.02 1 1596 138 138 LEU CD2 C 23.5 0.02 1 1597 138 138 LEU N N 123.4 0.2 1 1598 139 139 GLU H H 8.33 0.02 1 1599 139 139 GLU HA H 4.17 0.02 1 1600 139 139 GLU HB2 H 1.82 0.02 2 1601 139 139 GLU HB3 H 1.88 0.02 2 1602 139 139 GLU HG2 H 2.08 0.02 2 1603 139 139 GLU HG3 H 2.18 0.02 2 1604 139 139 GLU C C 177.8 0.2 1 1605 139 139 GLU CA C 56.5 0.2 1 1606 139 139 GLU CB C 30.5 0.2 1 1607 139 139 GLU CG C 36.3 0.2 1 1608 139 139 GLU N N 121.7 0.2 1 1609 140 140 HIS H H 8.34 0.02 1 1610 140 140 HIS HA H 4.52 0.02 1 1611 140 140 HIS HB2 H 2.96 0.02 2 1612 140 140 HIS HB3 H 3.96 0.02 2 1613 140 140 HIS HD2 H 6.87 0.02 1 1614 140 140 HIS CA C 56.0 0.2 1 1615 140 140 HIS CB C 30.8 0.2 1 1616 140 140 HIS CD2 C 119.4 0.2 1 1617 140 140 HIS N N 120.2 0.2 1 stop_ loop_ _Atom_shift_assign_ID_ambiguity 499 '500,501,502' '510,511' stop_ save_ ######################## # Coupling constants # ######################## save_J_coupling_list_1 _Saveframe_category coupling_constants _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $conditions_1 _Spectrometer_frequency_1H 600.21 _Mol_system_component_name 'Rpa0253 monomer' _Text_data_format . _Text_data . loop_ _Coupling_constant_ID _Coupling_constant_code _Atom_one_residue_seq_code _Atom_one_residue_label _Atom_one_name _Atom_two_residue_seq_code _Atom_two_residue_label _Atom_two_name _Coupling_constant_value _Coupling_constant_min_value _Coupling_constant_max_value _Coupling_constant_value_error 1 3JHNHA 2 ALA H 2 ALA HA 8.6 . . 1.5 2 3JHNHA 3 TYR H 3 TYR HA 8.7 . . 1.5 3 3JHNHA 4 TRP H 4 TRP HA 8.4 . . 1.5 4 3JHNHA 5 LEU H 5 LEU HA 6.5 . . 1.5 5 3JHNHA 7 LYS H 7 LYS HA 7.3 . . 1.5 6 3JHNHA 9 GLU H 9 GLU HA 5.5 . . 1.5 7 3JHNHA 11 SER H 11 SER HA 5.8 . . 1.5 8 3JHNHA 14 SER H 14 SER HA 5.5 . . 1.5 9 3JHNHA 18 GLN H 18 GLN HA 3.4 . . 1.5 10 3JHNHA 19 VAL H 19 VAL HA 3.1 . . 1.5 11 3JHNHA 21 LYS H 21 LYS HA 5.6 . . 1.5 12 3JHNHA 23 ALA H 23 ALA HA 2.8 . . 1.5 13 3JHNHA 24 ALA H 24 ALA HA 5.0 . . 1.5 14 3JHNHA 29 THR H 29 THR HA 6.3 . . 1.5 15 3JHNHA 31 VAL H 31 VAL HA 5.9 . . 1.5 16 3JHNHA 33 ASN H 33 ASN HA 7.4 . . 1.5 17 3JHNHA 36 ALA H 36 ALA HA 3.8 . . 1.5 18 3JHNHA 38 LEU H 38 LEU HA 3.1 . . 1.5 19 3JHNHA 39 HIS H 39 HIS HA 4.5 . . 1.5 20 3JHNHA 40 MET H 40 MET HA 3.8 . . 1.5 21 3JHNHA 42 ALA H 42 ALA HA 6.1 . . 1.5 22 3JHNHA 44 ARG H 44 ARG HA 8.1 . . 1.5 23 3JHNHA 47 ASP H 47 ASP HA 4.6 . . 1.5 24 3JHNHA 48 ARG H 48 ARG HA 9.7 . . 1.5 25 3JHNHA 49 ALA H 49 ALA HA 8.3 . . 1.5 26 3JHNHA 50 PHE H 50 PHE HA 6.3 . . 1.5 27 3JHNHA 51 TYR H 51 TYR HA 7.7 . . 1.5 28 3JHNHA 52 TYR H 52 TYR HA 7.0 . . 1.5 29 3JHNHA 53 HIS H 53 HIS HA 7.6 . . 1.5 30 3JHNHA 54 SER H 54 SER HA 6.2 . . 1.5 31 3JHNHA 55 ASN H 55 ASN HA 6.3 . . 1.5 32 3JHNHA 56 GLU H 56 GLU HA 7.6 . . 1.5 33 3JHNHA 58 LYS H 58 LYS HA 6.2 . . 1.5 34 3JHNHA 59 GLU H 59 GLU HA 5.6 . . 1.5 35 3JHNHA 60 ILE H 60 ILE HA 6.8 . . 1.5 36 3JHNHA 61 VAL H 61 VAL HA 8.3 . . 1.5 37 3JHNHA 63 ILE H 63 ILE HA 8.1 . . 1.5 38 3JHNHA 64 ALA H 64 ALA HA 8.8 . . 1.5 39 3JHNHA 65 GLU H 65 GLU HA 7.7 . . 1.5 40 3JHNHA 66 ILE H 66 ILE HA 5.6 . . 1.5 41 3JHNHA 69 GLU H 69 GLU HA 5.1 . . 1.5 42 3JHNHA 73 ASP H 73 ASP HA 4.8 . . 1.5 43 3JHNHA 75 THR H 75 THR HA 8.5 . . 1.5 44 3JHNHA 76 ASP H 76 ASP HA 7.6 . . 1.5 45 3JHNHA 77 ALA H 77 ALA HA 3.9 . . 1.5 46 3JHNHA 78 SER H 78 SER HA 6.5 . . 1.5 47 3JHNHA 81 PHE H 81 PHE HA 7.4 . . 1.5 48 3JHNHA 82 VAL H 82 VAL HA 8.4 . . 1.5 49 3JHNHA 83 CYS H 83 CYS HA 8.4 . . 1.5 50 3JHNHA 84 VAL H 84 VAL HA 7.3 . . 1.5 51 3JHNHA 86 ILE H 86 ILE HA 9.0 . . 1.5 52 3JHNHA 89 ASP H 89 ASP HA 8.8 . . 1.5 53 3JHNHA 90 LYS H 90 LYS HA 5.7 . . 1.5 54 3JHNHA 93 LYS H 93 LYS HA 6.0 . . 1.5 55 3JHNHA 94 THR H 94 THR HA 8.2 . . 1.5 56 3JHNHA 98 LEU H 98 LEU HA 3.4 . . 1.5 57 3JHNHA 100 ALA H 100 ALA HA 4.7 . . 1.5 58 3JHNHA 101 VAL H 101 VAL HA 4.4 . . 1.5 59 3JHNHA 102 LYS H 102 LYS HA 3.0 . . 1.5 60 3JHNHA 103 ALA H 103 ALA HA 6.6 . . 1.5 61 3JHNHA 107 LEU H 107 LEU HA 9.0 . . 1.5 62 3JHNHA 108 ALA H 108 ALA HA 2.5 . . 1.5 63 3JHNHA 109 ASP H 109 ASP HA 8.7 . . 1.5 64 3JHNHA 110 MET H 110 MET HA 3.1 . . 1.5 65 3JHNHA 111 ALA H 111 ALA HA 3.2 . . 1.5 66 3JHNHA 113 MET H 113 MET HA 8.0 . . 1.5 67 3JHNHA 118 LEU H 118 LEU HA 6.4 . . 1.5 68 3JHNHA 120 VAL H 120 VAL HA 7.4 . . 1.5 69 3JHNHA 125 ALA H 125 ALA HA 2.3 . . 1.5 70 3JHNHA 126 GLU H 126 GLU HA 4.7 . . 1.5 71 3JHNHA 127 GLU H 127 GLU HA 3.9 . . 1.5 72 3JHNHA 128 TRP H 128 TRP HA 2.2 . . 1.5 73 3JHNHA 129 LYS H 129 LYS HA 3.4 . . 1.5 74 3JHNHA 131 VAL H 131 VAL HA 4.1 . . 1.5 75 3JHNHA 134 MET H 134 MET HA 3.2 . . 1.5 76 3JHNHA 138 LEU H 138 LEU HA 8.0 . . 1.5 77 3JHNHA 139 GLU H 139 GLU HA 6.5 . . 1.5 stop_ save_