data_11001 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of Cu(I) loaded human Sco2 ; _BMRB_accession_number 11001 _BMRB_flat_file_name bmr11001.str _Entry_type original _Submission_date 2007-07-11 _Accession_date 2007-07-14 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Banci Lucia . . 2 Bertini Ivano . . 3 Ciofi-baffoni Simone . . 4 Gerothanassis Ioannis P. . 5 Leontari Iliana . . 6 Martinelli Manuele . . 7 Wang Shenlin . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 943 "13C chemical shifts" 650 "15N chemical shifts" 182 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2008-03-13 original author . stop_ _Original_release_date 2008-03-13 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'A structural characterization of human SCO2.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 17850752 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Banci Lucia . . 2 Bertini Ivano . . 3 Ciofi-baffoni Simone . . 4 Gerothanassis Ioannis P. . 5 Leontari Iliana . . 6 Martinelli Manuele . . 7 Wang Shenlin . . stop_ _Journal_abbreviation Structure _Journal_volume 15 _Journal_issue 9 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 1132 _Page_last 1140 _Year 2007 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name Cu(I)HSco2 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label HSco2 $HSco2 'COPPER (I) ION' $CU1 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_HSco2 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common HSco2 _Molecular_mass 19446.004 _Mol_thiol_state 'free and other bound' _Details ; His224(128 in the report) is protonated on the Nd1 atom. His105, His109, His185, and His257(9,13,89 and 161 in the report) are protonated on the Ne2 atom. His 132 and His 203(36 and 107 in the report) are protonated on both Nd1 and Ne2 atoms. ; ############################## # Polymer residue sequence # ############################## _Residue_count 170 _Mol_residue_sequence ; SFTGQGDFHLLDHRGRARCK ADFRGQWVLMYFGFTHCPDI CPDELEKLVQVVRQLEAEPG LPPVQPVFITVDPERDDVEA MARYVQDFHPRLLGLTGSTK QVAQASHSYRVYYNAGPKDE DQDYIVDHSIAIYLLNPDGL FTDYYGRSRSAEQISDSVRR HMAAFRSVLS ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 97 SER 2 98 PHE 3 99 THR 4 100 GLY 5 101 GLN 6 102 GLY 7 103 ASP 8 104 PHE 9 105 HIS 10 106 LEU 11 107 LEU 12 108 ASP 13 109 HIS 14 110 ARG 15 111 GLY 16 112 ARG 17 113 ALA 18 114 ARG 19 115 CYS 20 116 LYS 21 117 ALA 22 118 ASP 23 119 PHE 24 120 ARG 25 121 GLY 26 122 GLN 27 123 TRP 28 124 VAL 29 125 LEU 30 126 MET 31 127 TYR 32 128 PHE 33 129 GLY 34 130 PHE 35 131 THR 36 132 HIS 37 133 CYS 38 134 PRO 39 135 ASP 40 136 ILE 41 137 CYS 42 138 PRO 43 139 ASP 44 140 GLU 45 141 LEU 46 142 GLU 47 143 LYS 48 144 LEU 49 145 VAL 50 146 GLN 51 147 VAL 52 148 VAL 53 149 ARG 54 150 GLN 55 151 LEU 56 152 GLU 57 153 ALA 58 154 GLU 59 155 PRO 60 156 GLY 61 157 LEU 62 158 PRO 63 159 PRO 64 160 VAL 65 161 GLN 66 162 PRO 67 163 VAL 68 164 PHE 69 165 ILE 70 166 THR 71 167 VAL 72 168 ASP 73 169 PRO 74 170 GLU 75 171 ARG 76 172 ASP 77 173 ASP 78 174 VAL 79 175 GLU 80 176 ALA 81 177 MET 82 178 ALA 83 179 ARG 84 180 TYR 85 181 VAL 86 182 GLN 87 183 ASP 88 184 PHE 89 185 HIS 90 186 PRO 91 187 ARG 92 188 LEU 93 189 LEU 94 190 GLY 95 191 LEU 96 192 THR 97 193 GLY 98 194 SER 99 195 THR 100 196 LYS 101 197 GLN 102 198 VAL 103 199 ALA 104 200 GLN 105 201 ALA 106 202 SER 107 203 HIS 108 204 SER 109 205 TYR 110 206 ARG 111 207 VAL 112 208 TYR 113 209 TYR 114 210 ASN 115 211 ALA 116 212 GLY 117 213 PRO 118 214 LYS 119 215 ASP 120 216 GLU 121 217 ASP 122 218 GLN 123 219 ASP 124 220 TYR 125 221 ILE 126 222 VAL 127 223 ASP 128 224 HIS 129 225 SER 130 226 ILE 131 227 ALA 132 228 ILE 133 229 TYR 134 230 LEU 135 231 LEU 136 232 ASN 137 233 PRO 138 234 ASP 139 235 GLY 140 236 LEU 141 237 PHE 142 238 THR 143 239 ASP 144 240 TYR 145 241 TYR 146 242 GLY 147 243 ARG 148 244 SER 149 245 ARG 150 246 SER 151 247 ALA 152 248 GLU 153 249 GLN 154 250 ILE 155 251 SER 156 252 ASP 157 253 SER 158 254 VAL 159 255 ARG 160 256 ARG 161 257 HIS 162 258 MET 163 259 ALA 164 260 ALA 165 261 PHE 166 262 ARG 167 263 SER 168 264 VAL 169 265 LEU 170 266 SER stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-08 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 2RLI "Solution Structure Of Cu(i) Human Sco2" 100.00 171 100.00 100.00 1.15e-121 DBJ BAI46393 "SCO cytochrome oxidase deficient homolog 2 [synthetic construct]" 98.82 266 99.40 99.40 4.20e-119 EMBL CAA16671 "unnamed protein product [Homo sapiens]" 98.82 266 99.40 99.40 4.20e-119 EMBL CAG30455 "SCO2 [Homo sapiens]" 98.82 266 99.40 99.40 4.20e-119 EMBL CAK54599 "SCO2 [synthetic construct]" 98.82 266 99.40 99.40 4.20e-119 EMBL CAK54898 "SCO2 [synthetic construct]" 98.82 266 99.40 99.40 4.20e-119 GB AAF05313 "cytochrome c oxidase assembly protein isoform 2 [Homo sapiens]" 98.82 266 99.40 99.40 3.27e-119 GB AAI02025 "Cytochrome oxidase deficient homolog 2 [Homo sapiens]" 98.82 266 99.40 99.40 3.27e-119 GB AAI02026 "SCO cytochrome oxidase deficient homolog 2 (yeast) [Homo sapiens]" 98.82 266 99.40 99.40 3.27e-119 GB AIC50475 "SCO2, partial [synthetic construct]" 98.82 266 99.40 99.40 3.27e-119 GB AKI71892 "SCO2, partial [synthetic construct]" 98.82 266 98.81 98.81 1.83e-117 REF NP_001162580 "protein SCO2 homolog, mitochondrial precursor [Homo sapiens]" 98.82 266 99.40 99.40 3.27e-119 REF NP_001162581 "protein SCO2 homolog, mitochondrial precursor [Homo sapiens]" 98.82 266 99.40 99.40 3.27e-119 REF NP_001162582 "protein SCO2 homolog, mitochondrial precursor [Homo sapiens]" 98.82 266 99.40 99.40 3.27e-119 REF NP_005129 "protein SCO2 homolog, mitochondrial precursor [Homo sapiens]" 98.82 266 99.40 99.40 3.27e-119 REF XP_003317370 "PREDICTED: protein SCO2 homolog, mitochondrial [Pan troglodytes]" 98.82 266 98.21 99.40 5.96e-118 SP O43819 "RecName: Full=Protein SCO2 homolog, mitochondrial; Flags: Precursor" 98.82 266 99.40 99.40 3.27e-119 stop_ save_ ############# # Ligands # ############# save_CU1 _Saveframe_category ligand _Mol_type non-polymer _Name_common "CU1 (COPPER (I) ION)" _BMRB_code . _PDB_code CU1 _Molecular_mass 63.546 _Mol_charge 1 _Mol_paramagnetic . _Mol_aromatic . _Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Dec 20 02:17:48 2006 ; loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons CU CU CU N 1 . ? stop_ _Mol_thiol_state . _Sequence_homology_query_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Gene_mnemonic $HSco2 Human 9606 Eukaryota Metazoa Homo sapiens SCO2 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 $HSco2 'recombinant technology' . Escherichia coli 'BL21DE3 GOLD' PETG-30A 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 $assembly 0.8 mM '[U-100% 13C; U-100% 15N]' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $assembly 0.8 mM '[U-100% 15N]' stop_ save_ ############################ # Computer software used # ############################ save_xwinnmr _Saveframe_category software _Name xwinnmr _Version 3.6 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection processing stop_ _Details . save_ save_CARA _Saveframe_category software _Name CARA _Version 2.0 loop_ _Vendor _Address _Electronic_address 'Keller and Wuthrich' . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' 'peak picking' stop_ _Details . save_ save_DYANA _Saveframe_category software _Name DYANA _Version 1.5 loop_ _Vendor _Address _Electronic_address 'Guntert, Braun and Wuthrich' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_AMBER _Saveframe_category software _Name AMBER _Version 8.0 loop_ _Vendor _Address _Electronic_address 'Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Koll' . . stop_ loop_ _Task refinement stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 500 _Details 'cyro probe' save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 900 _Details 'cyro probe' save_ save_spectrometer_3 _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_2 save_ save_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_2D_1H-1H_NOESY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_2 save_ save_3D_CBCA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCA_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_2 save_ save_3D_1H-13C_NOESY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _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 7.2 . pH pressure 1 . atm temperature 308 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details ; Proton resonances were calibated with respect the signal of 2,2-dimethylsilapentane-5-sulfonic acid(DSS). Nitrogen chemical shifts were referenced indirectly to the 1H standard using a conversion factor derived from the ratio of NMR frequencies. Carbon resonances were calibrated using the signal of dioxane at 69.4 ppm (298K) as secondary reference. ; 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 dioxane C 13 carbon ppm 69.4 internal direct . . . 1.000000000 DSS H 1 'methyl protons' ppm 0 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 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_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '2D 1H-1H NOESY' '3D CBCA(CO)NH' '3D HNCO' '3D HNCA' '3D HCCH-TOCSY' '3D 1H-15N NOESY' '3D 1H-13C NOESY' '3D HN(CO)CA' stop_ loop_ _Sample_label $sample_2 $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name HSco2 _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 98 2 PHE C C 173.7 0.2 1 2 99 3 THR H H 8.27 0.02 1 3 99 3 THR HA H 4.17 0.02 1 4 99 3 THR HB H 4.04 0.02 1 5 99 3 THR HG2 H 1.01 0.02 1 6 99 3 THR CA C 59.0 0.2 1 7 99 3 THR CB C 66.7 0.2 1 8 99 3 THR CG2 C 18.4 0.2 1 9 99 3 THR N N 121.3 0.2 1 10 100 4 GLY H H 7.93 0.02 1 11 100 4 GLY CA C 42.2 0.2 1 12 100 4 GLY N N 110.5 0.2 1 13 101 5 GLN H H 8.13 0.02 1 14 101 5 GLN HA H 4.24 0.02 1 15 101 5 GLN HB2 H 2.02 0.02 1 16 101 5 GLN HB3 H 2.02 0.02 1 17 101 5 GLN HG2 H 2.30 0.02 1 18 101 5 GLN HG3 H 2.30 0.02 1 19 101 5 GLN HE21 H 6.81 0.02 2 20 101 5 GLN HE22 H 7.46 0.02 2 21 101 5 GLN CA C 53.0 0.2 1 22 101 5 GLN CB C 26.7 0.2 1 23 101 5 GLN CG C 29.9 0.2 1 24 101 5 GLN N N 119.5 0.2 1 25 101 5 GLN NE2 N 112.2 0.2 1 26 102 6 GLY H H 8.33 0.02 1 27 102 6 GLY HA2 H 3.69 0.02 1 28 102 6 GLY HA3 H 3.69 0.02 1 29 102 6 GLY C C 170.4 0.2 1 30 102 6 GLY CA C 41.7 0.2 1 31 102 6 GLY N N 110.1 0.2 1 32 103 7 ASP H H 8.22 0.02 1 33 103 7 ASP HA H 4.59 0.02 1 34 103 7 ASP HB2 H 2.57 0.02 2 35 103 7 ASP HB3 H 2.53 0.02 2 36 103 7 ASP C C 172.4 0.2 1 37 103 7 ASP CA C 50.4 0.2 1 38 103 7 ASP CB C 39.8 0.2 1 39 103 7 ASP N N 121.1 0.2 1 40 104 8 PHE H H 8.44 0.02 1 41 104 8 PHE HA H 4.86 0.02 1 42 104 8 PHE HB2 H 3.24 0.02 2 43 104 8 PHE HB3 H 2.85 0.02 2 44 104 8 PHE HD1 H 6.97 0.02 1 45 104 8 PHE HD2 H 6.97 0.02 1 46 104 8 PHE HE1 H 6.85 0.02 1 47 104 8 PHE HE2 H 6.85 0.02 1 48 104 8 PHE C C 170.0 0.2 1 49 104 8 PHE CA C 53.5 0.2 1 50 104 8 PHE CB C 37.8 0.2 1 51 104 8 PHE N N 114.2 0.2 1 52 105 9 HIS H H 8.59 0.02 1 53 105 9 HIS HA H 4.93 0.02 1 54 105 9 HIS HB2 H 2.97 0.02 2 55 105 9 HIS HB3 H 3.13 0.02 2 56 105 9 HIS HD2 H 6.91 0.02 1 57 105 9 HIS HE1 H 7.85 0.02 1 58 105 9 HIS C C 171.1 0.2 1 59 105 9 HIS CA C 53.4 0.2 1 60 105 9 HIS CB C 28.3 0.2 1 61 105 9 HIS N N 121.3 0.2 1 62 105 9 HIS ND1 N 212.2 0.2 1 63 105 9 HIS NE2 N 183.2 0.2 1 64 106 10 LEU H H 8.50 0.02 1 65 106 10 LEU HA H 4.87 0.02 1 66 106 10 LEU HB2 H 1.30 0.02 2 67 106 10 LEU HB3 H 1.96 0.02 2 68 106 10 LEU HD1 H 0.72 0.02 2 69 106 10 LEU HD2 H 0.38 0.02 2 70 106 10 LEU C C 172.1 0.2 1 71 106 10 LEU CA C 49.8 0.2 1 72 106 10 LEU CB C 44.8 0.2 1 73 106 10 LEU CG C 24.6 0.2 1 74 106 10 LEU CD1 C 21.1 0.2 1 75 106 10 LEU CD2 C 24.0 0.2 1 76 106 10 LEU N N 123.2 0.2 1 77 107 11 LEU H H 9.29 0.02 1 78 107 11 LEU HA H 4.91 0.02 1 79 107 11 LEU HB2 H 1.32 0.02 2 80 107 11 LEU HB3 H 1.42 0.02 2 81 107 11 LEU HG H 1.61 0.02 1 82 107 11 LEU HD1 H 0.77 0.02 2 83 107 11 LEU HD2 H 0.72 0.02 2 84 107 11 LEU C C 173.6 0.2 1 85 107 11 LEU CA C 50.7 0.2 1 86 107 11 LEU CB C 42.3 0.2 1 87 107 11 LEU CG C 23.6 0.2 1 88 107 11 LEU CD1 C 21.6 0.2 1 89 107 11 LEU CD2 C 20.9 0.2 1 90 107 11 LEU N N 123.3 0.2 1 91 108 12 ASP H H 8.99 0.02 1 92 108 12 ASP HA H 5.79 0.02 1 93 108 12 ASP HB2 H 3.01 0.02 2 94 108 12 ASP HB3 H 2.42 0.02 2 95 108 12 ASP C C 176.0 0.2 1 96 108 12 ASP CA C 49.0 0.2 1 97 108 12 ASP CB C 40.0 0.2 1 98 108 12 ASP N N 120.4 0.2 1 99 109 13 HIS H H 7.76 0.02 1 100 109 13 HIS HA H 4.45 0.02 1 101 109 13 HIS HB2 H 2.74 0.02 2 102 109 13 HIS HB3 H 3.41 0.02 2 103 109 13 HIS HD2 H 6.82 0.02 1 104 109 13 HIS HE1 H 8.13 0.02 1 105 109 13 HIS C C 171.8 0.2 1 106 109 13 HIS CA C 56.0 0.2 1 107 109 13 HIS CB C 27.0 0.2 1 108 109 13 HIS N N 113.5 0.2 1 109 109 13 HIS ND1 N 253.4 0.2 1 110 109 13 HIS NE2 N 165.6 0.2 1 111 110 14 ARG H H 8.20 0.02 1 112 110 14 ARG HA H 4.32 0.02 1 113 110 14 ARG HB2 H 1.63 0.02 2 114 110 14 ARG HB3 H 1.93 0.02 2 115 110 14 ARG HG2 H 1.01 0.02 2 116 110 14 ARG HG3 H 1.15 0.02 2 117 110 14 ARG HD2 H 2.98 0.02 1 118 110 14 ARG HD3 H 2.98 0.02 1 119 110 14 ARG C C 174.6 0.2 1 120 110 14 ARG CA C 51.8 0.2 1 121 110 14 ARG CB C 26.4 0.2 1 122 110 14 ARG CG C 24.3 0.2 1 123 110 14 ARG CD C 39.9 0.2 1 124 110 14 ARG N N 118.7 0.2 1 125 111 15 GLY H H 8.76 0.02 1 126 111 15 GLY HA2 H 4.15 0.02 2 127 111 15 GLY HA3 H 3.52 0.02 2 128 111 15 GLY C C 171.1 0.2 1 129 111 15 GLY CA C 42.4 0.2 1 130 111 15 GLY N N 110.4 0.2 1 131 112 16 ARG H H 8.35 0.02 1 132 112 16 ARG HA H 4.37 0.02 1 133 112 16 ARG HB2 H 1.81 0.02 2 134 112 16 ARG HB3 H 1.86 0.02 2 135 112 16 ARG HG2 H 1.51 0.02 1 136 112 16 ARG HG3 H 1.51 0.02 1 137 112 16 ARG HD2 H 3.05 0.02 1 138 112 16 ARG HD3 H 3.05 0.02 1 139 112 16 ARG C C 173.1 0.2 1 140 112 16 ARG CA C 51.8 0.2 1 141 112 16 ARG CB C 27.6 0.2 1 142 112 16 ARG CG C 23.7 0.2 1 143 112 16 ARG CD C 40.3 0.2 1 144 112 16 ARG N N 122.6 0.2 1 145 113 17 ALA H H 8.50 0.02 1 146 113 17 ALA HA H 4.56 0.02 1 147 113 17 ALA HB H 1.37 0.02 1 148 113 17 ALA C C 175.0 0.2 1 149 113 17 ALA CA C 50.0 0.2 1 150 113 17 ALA CB C 15.3 0.2 1 151 113 17 ALA N N 127.6 0.2 1 152 114 18 ARG H H 9.13 0.02 1 153 114 18 ARG HA H 5.05 0.02 1 154 114 18 ARG HB2 H 1.79 0.02 2 155 114 18 ARG HB3 H 1.76 0.02 2 156 114 18 ARG HD2 H 2.85 0.02 2 157 114 18 ARG HD3 H 3.25 0.02 2 158 114 18 ARG C C 171.7 0.2 1 159 114 18 ARG CA C 49.8 0.2 1 160 114 18 ARG CB C 31.2 0.2 1 161 114 18 ARG CG C 26.2 0.2 1 162 114 18 ARG CD C 39.5 0.2 1 163 114 18 ARG N N 122.1 0.2 1 164 115 19 CYS H H 8.63 0.02 1 165 115 19 CYS HA H 5.14 0.02 1 166 115 19 CYS HB2 H 2.97 0.02 2 167 115 19 CYS HB3 H 2.86 0.02 2 168 115 19 CYS C C 172.3 0.2 1 169 115 19 CYS CA C 52.0 0.2 1 170 115 19 CYS CB C 29.0 0.2 1 171 115 19 CYS N N 117.8 0.2 1 172 116 20 LYS H H 7.24 0.02 1 173 116 20 LYS HA H 3.37 0.02 1 174 116 20 LYS HB2 H 1.59 0.02 2 175 116 20 LYS HB3 H 1.01 0.02 2 176 116 20 LYS HG2 H 1.29 0.02 2 177 116 20 LYS HG3 H 1.26 0.02 2 178 116 20 LYS HD2 H 1.62 0.02 1 179 116 20 LYS HD3 H 1.62 0.02 1 180 116 20 LYS HE2 H 2.84 0.02 1 181 116 20 LYS HE3 H 2.84 0.02 1 182 116 20 LYS C C 176.6 0.2 1 183 116 20 LYS CA C 58.0 0.2 1 184 116 20 LYS CB C 28.6 0.2 1 185 116 20 LYS CG C 21.4 0.2 1 186 116 20 LYS CD C 25.5 0.2 1 187 116 20 LYS CE C 39.3 0.2 1 188 116 20 LYS N N 121.8 0.2 1 189 117 21 ALA H H 8.65 0.02 1 190 117 21 ALA HA H 3.96 0.02 1 191 117 21 ALA HB H 1.36 0.02 1 192 117 21 ALA C C 176.5 0.2 1 193 117 21 ALA CA C 51.6 0.2 1 194 117 21 ALA CB C 15.0 0.2 1 195 117 21 ALA N N 121.6 0.2 1 196 118 22 ASP H H 7.63 0.02 1 197 118 22 ASP HA H 4.19 0.02 1 198 118 22 ASP HB2 H 2.35 0.02 2 199 118 22 ASP HB3 H 2.16 0.02 2 200 118 22 ASP C C 174.4 0.2 1 201 118 22 ASP CA C 53.9 0.2 1 202 118 22 ASP CB C 37.5 0.2 1 203 118 22 ASP N N 118.6 0.2 1 204 119 23 PHE H H 7.63 0.02 1 205 119 23 PHE HA H 4.56 0.02 1 206 119 23 PHE HB2 H 2.60 0.02 2 207 119 23 PHE HB3 H 3.31 0.02 2 208 119 23 PHE HD1 H 7.24 0.02 1 209 119 23 PHE HD2 H 7.24 0.02 1 210 119 23 PHE HZ H 6.84 0.02 1 211 119 23 PHE C C 171.6 0.2 1 212 119 23 PHE CA C 53.6 0.2 1 213 119 23 PHE CB C 36.0 0.2 1 214 119 23 PHE N N 116.3 0.2 1 215 120 24 ARG H H 7.16 0.02 1 216 120 24 ARG HA H 4.13 0.02 1 217 120 24 ARG HB2 H 1.87 0.02 2 218 120 24 ARG HB3 H 1.77 0.02 2 219 120 24 ARG HG2 H 1.66 0.02 2 220 120 24 ARG HG3 H 1.73 0.02 2 221 120 24 ARG HD2 H 3.19 0.02 1 222 120 24 ARG HD3 H 3.19 0.02 1 223 120 24 ARG C C 175.2 0.2 1 224 120 24 ARG CA C 54.9 0.2 1 225 120 24 ARG CB C 26.9 0.2 1 226 120 24 ARG CG C 24.0 0.2 1 227 120 24 ARG CD C 40.2 0.2 1 228 120 24 ARG N N 122.7 0.2 1 229 121 25 GLY H H 9.61 0.02 1 230 121 25 GLY HA2 H 3.61 0.02 2 231 121 25 GLY HA3 H 4.54 0.02 2 232 121 25 GLY C C 170.9 0.2 1 233 121 25 GLY CA C 42.1 0.2 1 234 121 25 GLY N N 113.9 0.2 1 235 122 26 GLN H H 8.31 0.02 1 236 122 26 GLN HA H 4.71 0.02 1 237 122 26 GLN HB2 H 2.04 0.02 2 238 122 26 GLN HB3 H 2.07 0.02 2 239 122 26 GLN HG2 H 2.09 0.02 1 240 122 26 GLN HG3 H 2.09 0.02 1 241 122 26 GLN HE21 H 7.28 0.02 2 242 122 26 GLN HE22 H 6.59 0.02 2 243 122 26 GLN C C 171.7 0.2 1 244 122 26 GLN CA C 51.3 0.2 1 245 122 26 GLN CB C 28.5 0.2 1 246 122 26 GLN CG C 30.9 0.2 1 247 122 26 GLN CD C 177.1 0.2 1 248 122 26 GLN N N 119.9 0.2 1 249 122 26 GLN NE2 N 109.2 0.2 1 250 123 27 TRP H H 8.31 0.02 1 251 123 27 TRP HA H 4.26 0.02 1 252 123 27 TRP HB2 H 2.88 0.02 2 253 123 27 TRP HB3 H 3.06 0.02 2 254 123 27 TRP HD1 H 7.22 0.02 1 255 123 27 TRP HE1 H 10.70 0.02 1 256 123 27 TRP C C 173.2 0.2 1 257 123 27 TRP CA C 54.5 0.2 1 258 123 27 TRP CB C 26.0 0.2 1 259 123 27 TRP N N 120.8 0.2 1 260 123 27 TRP NE1 N 131.1 0.2 1 261 124 28 VAL H H 8.62 0.02 1 262 124 28 VAL HA H 4.77 0.02 1 263 124 28 VAL HB H 1.71 0.02 1 264 124 28 VAL HG1 H 0.53 0.02 2 265 124 28 VAL HG2 H 0.67 0.02 2 266 124 28 VAL C C 172.3 0.2 1 267 124 28 VAL CA C 58.0 0.2 1 268 124 28 VAL CB C 31.5 0.2 1 269 124 28 VAL CG1 C 18.3 0.2 1 270 124 28 VAL CG2 C 18.6 0.2 1 271 124 28 VAL N N 123.3 0.2 1 272 125 29 LEU H H 7.73 0.02 1 273 125 29 LEU HA H 5.45 0.02 1 274 125 29 LEU HB2 H 1.13 0.02 2 275 125 29 LEU HB3 H 1.25 0.02 2 276 125 29 LEU HG H 0.61 0.02 1 277 125 29 LEU HD1 H 0.62 0.02 2 278 125 29 LEU HD2 H 0.76 0.02 2 279 125 29 LEU C C 171.9 0.2 1 280 125 29 LEU CA C 49.9 0.2 1 281 125 29 LEU CB C 43.3 0.2 1 282 125 29 LEU CG C 24.0 0.2 1 283 125 29 LEU CD1 C 23.1 0.2 1 284 125 29 LEU CD2 C 23.1 0.2 1 285 125 29 LEU N N 127.9 0.2 1 286 126 30 MET H H 9.54 0.02 1 287 126 30 MET HA H 5.42 0.02 1 288 126 30 MET HB2 H 1.62 0.02 2 289 126 30 MET HB3 H 1.53 0.02 2 290 126 30 MET HG2 H 1.71 0.02 2 291 126 30 MET HG3 H 1.86 0.02 2 292 126 30 MET HE H 0.98 0.02 1 293 126 30 MET C C 171.2 0.2 1 294 126 30 MET CA C 50.8 0.2 1 295 126 30 MET CB C 35.0 0.2 1 296 126 30 MET CG C 27.9 0.2 1 297 126 30 MET CE C 12.3 0.2 1 298 126 30 MET N N 122.1 0.2 1 299 127 31 TYR H H 8.59 0.02 1 300 127 31 TYR HA H 5.23 0.02 1 301 127 31 TYR HB2 H 3.02 0.02 2 302 127 31 TYR HB3 H 2.57 0.02 2 303 127 31 TYR HH H 10.80 0.02 1 304 127 31 TYR C C 169.9 0.2 1 305 127 31 TYR CA C 55.0 0.2 1 306 127 31 TYR CB C 40.8 0.2 1 307 127 31 TYR N N 124.6 0.2 1 308 128 32 PHE H H 6.87 0.02 1 309 128 32 PHE HA H 5.47 0.02 1 310 128 32 PHE HB2 H 2.30 0.02 2 311 128 32 PHE HB3 H 2.90 0.02 2 312 128 32 PHE HD1 H 6.81 0.02 1 313 128 32 PHE HD2 H 6.81 0.02 1 314 128 32 PHE HE1 H 6.37 0.02 1 315 128 32 PHE HE2 H 6.37 0.02 1 316 128 32 PHE HZ H 6.34 0.02 1 317 128 32 PHE C C 171.2 0.2 1 318 128 32 PHE CA C 52.5 0.2 1 319 128 32 PHE CB C 37.4 0.2 1 320 128 32 PHE N N 127.8 0.2 1 321 129 33 GLY H H 7.89 0.02 1 322 129 33 GLY HA2 H 5.28 0.02 2 323 129 33 GLY HA3 H 2.65 0.02 2 324 129 33 GLY C C 169.2 0.2 1 325 129 33 GLY CA C 43.0 0.2 1 326 129 33 GLY N N 105.6 0.2 1 327 130 34 PHE H H 9.96 0.02 1 328 130 34 PHE HA H 5.26 0.02 1 329 130 34 PHE HB2 H 3.03 0.02 2 330 130 34 PHE HB3 H 2.98 0.02 2 331 130 34 PHE HZ H 7.64 0.02 1 332 130 34 PHE C C 172.6 0.2 1 333 130 34 PHE CA C 54.5 0.2 1 334 130 34 PHE CB C 37.2 0.2 1 335 130 34 PHE N N 122.5 0.2 1 336 131 35 THR H H 9.47 0.02 1 337 131 35 THR HA H 3.09 0.02 1 338 131 35 THR HB H 3.29 0.02 1 339 131 35 THR HG2 H 0.71 0.02 1 340 131 35 THR C C 174.7 0.2 1 341 131 35 THR CA C 62.4 0.2 1 342 131 35 THR CB C 65.5 0.2 1 343 131 35 THR CG2 C 17.2 0.2 1 344 131 35 THR N N 111.8 0.2 1 345 132 36 HIS H H 7.39 0.02 1 346 132 36 HIS HA H 4.38 0.02 1 347 132 36 HIS HB2 H 3.84 0.02 2 348 132 36 HIS HB3 H 3.03 0.02 2 349 132 36 HIS HD2 H 7.49 0.02 1 350 132 36 HIS HE1 H 8.51 0.02 1 351 132 36 HIS C C 169.4 0.2 1 352 132 36 HIS CA C 54.1 0.2 1 353 132 36 HIS CB C 24.1 0.2 1 354 132 36 HIS N N 117.2 0.2 1 355 132 36 HIS ND1 N 178.7 0.2 1 356 132 36 HIS NE2 N 181.9 0.2 1 357 133 37 CYS H H 6.15 0.02 1 358 133 37 CYS HA H 3.86 0.02 1 359 133 37 CYS HB2 H 2.85 0.02 2 360 133 37 CYS HB3 H 2.88 0.02 2 361 133 37 CYS CA C 55.6 0.2 1 362 133 37 CYS CB C 29.6 0.2 1 363 133 37 CYS N N 127.2 0.2 1 364 134 38 PRO HA H 4.47 0.02 1 365 134 38 PRO HB2 H 1.97 0.02 2 366 134 38 PRO HB3 H 1.94 0.02 2 367 134 38 PRO HG2 H 2.16 0.02 2 368 134 38 PRO HG3 H 2.09 0.02 2 369 134 38 PRO HD2 H 4.30 0.02 2 370 134 38 PRO HD3 H 4.23 0.02 2 371 134 38 PRO C C 175.9 0.2 1 372 134 38 PRO CA C 61.7 0.2 1 373 134 38 PRO CB C 29.5 0.2 1 374 134 38 PRO CG C 24.2 0.2 1 375 134 38 PRO CD C 48.6 0.2 1 376 135 39 ASP H H 8.01 0.02 1 377 135 39 ASP HA H 4.81 0.02 1 378 135 39 ASP HB2 H 2.63 0.02 2 379 135 39 ASP HB3 H 2.78 0.02 2 380 135 39 ASP C C 173.0 0.2 1 381 135 39 ASP CA C 51.8 0.2 1 382 135 39 ASP CB C 39.3 0.2 1 383 135 39 ASP N N 113.7 0.2 1 384 136 40 ILE H H 8.66 0.02 1 385 136 40 ILE HA H 4.29 0.02 1 386 136 40 ILE HB H 1.68 0.02 1 387 136 40 ILE HG12 H 1.03 0.02 1 388 136 40 ILE HG13 H 1.03 0.02 1 389 136 40 ILE HG2 H 1.13 0.02 1 390 136 40 ILE HD1 H 0.90 0.02 1 391 136 40 ILE C C 175.0 0.2 1 392 136 40 ILE CA C 61.4 0.2 1 393 136 40 ILE CB C 38.2 0.2 1 394 136 40 ILE CG1 C 24.4 0.2 1 395 136 40 ILE CG2 C 15.8 0.2 1 396 136 40 ILE CD1 C 10.2 0.2 1 397 136 40 ILE N N 125.0 0.2 1 398 137 41 CYS H H 9.88 0.02 1 399 137 41 CYS HA H 4.35 0.02 1 400 137 41 CYS HB2 H 2.93 0.02 2 401 137 41 CYS HB3 H 2.97 0.02 2 402 137 41 CYS CA C 63.5 0.2 1 403 137 41 CYS CB C 26.3 0.2 1 404 137 41 CYS N N 127.4 0.2 1 405 138 42 PRO HA H 4.14 0.02 1 406 138 42 PRO HB2 H 1.80 0.02 2 407 138 42 PRO HB3 H 2.34 0.02 2 408 138 42 PRO HG2 H 2.16 0.02 2 409 138 42 PRO HG3 H 1.99 0.02 2 410 138 42 PRO HD2 H 3.57 0.02 2 411 138 42 PRO HD3 H 3.38 0.02 2 412 138 42 PRO C C 176.5 0.2 1 413 138 42 PRO CA C 63.9 0.2 1 414 138 42 PRO CB C 27.6 0.2 1 415 138 42 PRO CG C 25.5 0.2 1 416 138 42 PRO CD C 46.8 0.2 1 417 139 43 ASP H H 7.16 0.02 1 418 139 43 ASP HA H 4.47 0.02 1 419 139 43 ASP HB2 H 2.64 0.02 2 420 139 43 ASP HB3 H 2.84 0.02 2 421 139 43 ASP C C 176.9 0.2 1 422 139 43 ASP CA C 53.8 0.2 1 423 139 43 ASP CB C 37.9 0.2 1 424 139 43 ASP N N 115.5 0.2 1 425 140 44 GLU H H 8.26 0.02 1 426 140 44 GLU HA H 3.77 0.02 1 427 140 44 GLU HB2 H 2.31 0.02 1 428 140 44 GLU HB3 H 2.31 0.02 1 429 140 44 GLU HG2 H 2.01 0.02 1 430 140 44 GLU HG3 H 2.01 0.02 1 431 140 44 GLU C C 176.0 0.2 1 432 140 44 GLU CA C 55.9 0.2 1 433 140 44 GLU CB C 26.2 0.2 1 434 140 44 GLU CG C 33.7 0.2 1 435 140 44 GLU N N 122.9 0.2 1 436 141 45 LEU H H 8.62 0.02 1 437 141 45 LEU HA H 3.50 0.02 1 438 141 45 LEU HB2 H 1.06 0.02 2 439 141 45 LEU HB3 H 0.00 0.02 2 440 141 45 LEU HG H 0.86 0.02 1 441 141 45 LEU HD1 H -0.29 0.02 2 442 141 45 LEU HD2 H 0.04 0.02 2 443 141 45 LEU C C 176.4 0.2 1 444 141 45 LEU CA C 54.0 0.2 1 445 141 45 LEU CB C 38.4 0.2 1 446 141 45 LEU CG C 22.9 0.2 1 447 141 45 LEU CD1 C 21.9 0.2 1 448 141 45 LEU CD2 C 20.9 0.2 1 449 141 45 LEU N N 120.0 0.2 1 450 142 46 GLU H H 7.41 0.02 1 451 142 46 GLU HA H 4.17 0.02 1 452 142 46 GLU HB2 H 2.02 0.02 2 453 142 46 GLU HB3 H 2.06 0.02 2 454 142 46 GLU HG2 H 2.34 0.02 2 455 142 46 GLU HG3 H 2.23 0.02 2 456 142 46 GLU C C 175.8 0.2 1 457 142 46 GLU CA C 56.4 0.2 1 458 142 46 GLU CB C 25.9 0.2 1 459 142 46 GLU CG C 32.8 0.2 1 460 142 46 GLU N N 119.1 0.2 1 461 143 47 LYS H H 7.51 0.02 1 462 143 47 LYS HA H 3.85 0.02 1 463 143 47 LYS HB2 H 1.46 0.02 2 464 143 47 LYS HB3 H 1.33 0.02 2 465 143 47 LYS HG2 H 1.68 0.02 2 466 143 47 LYS HG3 H 1.74 0.02 2 467 143 47 LYS HD2 H 2.01 0.02 1 468 143 47 LYS HD3 H 2.01 0.02 1 469 143 47 LYS HE2 H 2.86 0.02 1 470 143 47 LYS HE3 H 2.86 0.02 1 471 143 47 LYS C C 174.8 0.2 1 472 143 47 LYS CA C 56.8 0.2 1 473 143 47 LYS CB C 28.7 0.2 1 474 143 47 LYS N N 121.5 0.2 1 475 144 48 LEU H H 8.21 0.02 1 476 144 48 LEU HA H 3.62 0.02 1 477 144 48 LEU HB2 H 2.01 0.02 2 478 144 48 LEU HB3 H 1.36 0.02 2 479 144 48 LEU HG H 1.23 0.02 1 480 144 48 LEU HD1 H 0.76 0.02 2 481 144 48 LEU HD2 H 0.63 0.02 2 482 144 48 LEU C C 175.9 0.2 1 483 144 48 LEU CA C 56.3 0.2 1 484 144 48 LEU CB C 38.9 0.2 1 485 144 48 LEU CG C 24.5 0.2 1 486 144 48 LEU CD1 C 23.9 0.2 1 487 144 48 LEU CD2 C 23.3 0.2 1 488 144 48 LEU N N 119.6 0.2 1 489 145 49 VAL H H 8.31 0.02 1 490 145 49 VAL HA H 3.44 0.02 1 491 145 49 VAL HB H 2.31 0.02 1 492 145 49 VAL HG1 H 0.96 0.02 2 493 145 49 VAL HG2 H 1.15 0.02 2 494 145 49 VAL C C 174.8 0.2 1 495 145 49 VAL CA C 63.5 0.2 1 496 145 49 VAL CB C 28.0 0.2 1 497 145 49 VAL CG1 C 19.5 0.2 1 498 145 49 VAL CG2 C 18.6 0.2 1 499 145 49 VAL N N 114.0 0.2 1 500 146 50 GLN H H 8.38 0.02 1 501 146 50 GLN HA H 4.01 0.02 1 502 146 50 GLN HB2 H 1.99 0.02 2 503 146 50 GLN HB3 H 2.32 0.02 2 504 146 50 GLN HG2 H 2.46 0.02 2 505 146 50 GLN HG3 H 2.39 0.02 2 506 146 50 GLN HE21 H 6.76 0.02 2 507 146 50 GLN HE22 H 7.60 0.02 2 508 146 50 GLN C C 176.7 0.2 1 509 146 50 GLN CA C 56.3 0.2 1 510 146 50 GLN CB C 24.3 0.2 1 511 146 50 GLN CG C 30.8 0.2 1 512 146 50 GLN CD C 177.6 0.2 1 513 146 50 GLN N N 123.2 0.2 1 514 146 50 GLN NE2 N 111.8 0.2 1 515 147 51 VAL H H 8.07 0.02 1 516 147 51 VAL HA H 3.36 0.02 1 517 147 51 VAL HB H 2.38 0.02 1 518 147 51 VAL HG1 H 1.03 0.02 2 519 147 51 VAL HG2 H 0.62 0.02 2 520 147 51 VAL C C 174.8 0.2 1 521 147 51 VAL CA C 63.5 0.2 1 522 147 51 VAL CB C 27.9 0.2 1 523 147 51 VAL CG1 C 20.0 0.2 1 524 147 51 VAL CG2 C 18.3 0.2 1 525 147 51 VAL N N 120.9 0.2 1 526 148 52 VAL H H 7.53 0.02 1 527 148 52 VAL HA H 3.17 0.02 1 528 148 52 VAL HB H 1.95 0.02 1 529 148 52 VAL HG1 H 0.45 0.02 2 530 148 52 VAL HG2 H 0.66 0.02 2 531 148 52 VAL C C 175.0 0.2 1 532 148 52 VAL CA C 64.5 0.2 1 533 148 52 VAL CB C 27.6 0.2 1 534 148 52 VAL CG1 C 17.8 0.2 1 535 148 52 VAL CG2 C 20.0 0.2 1 536 148 52 VAL N N 117.7 0.2 1 537 149 53 ARG H H 8.70 0.02 1 538 149 53 ARG HA H 4.27 0.02 1 539 149 53 ARG HB2 H 1.77 0.02 1 540 149 53 ARG HB3 H 1.77 0.02 1 541 149 53 ARG HG2 H 2.01 0.02 2 542 149 53 ARG HG3 H 1.94 0.02 2 543 149 53 ARG HD2 H 3.21 0.02 1 544 149 53 ARG HD3 H 3.21 0.02 1 545 149 53 ARG C C 177.2 0.2 1 546 149 53 ARG CA C 56.6 0.2 1 547 149 53 ARG CB C 26.8 0.2 1 548 149 53 ARG CG C 24.5 0.2 1 549 149 53 ARG CD C 40.3 0.2 1 550 149 53 ARG N N 118.0 0.2 1 551 150 54 GLN H H 8.03 0.02 1 552 150 54 GLN HA H 3.98 0.02 1 553 150 54 GLN HB2 H 2.20 0.02 2 554 150 54 GLN HB3 H 1.98 0.02 2 555 150 54 GLN HG2 H 2.50 0.02 2 556 150 54 GLN HG3 H 2.31 0.02 2 557 150 54 GLN HE21 H 7.29 0.02 2 558 150 54 GLN HE22 H 6.34 0.02 2 559 150 54 GLN C C 176.2 0.2 1 560 150 54 GLN CA C 56.3 0.2 1 561 150 54 GLN CB C 24.9 0.2 1 562 150 54 GLN CG C 30.9 0.2 1 563 150 54 GLN CD C 177.2 0.2 1 564 150 54 GLN N N 119.3 0.2 1 565 150 54 GLN NE2 N 109.9 0.2 1 566 151 55 LEU H H 8.01 0.02 1 567 151 55 LEU HA H 4.05 0.02 1 568 151 55 LEU HB2 H 1.75 0.02 2 569 151 55 LEU HB3 H 1.36 0.02 2 570 151 55 LEU HG H 0.99 0.02 1 571 151 55 LEU HD1 H 0.57 0.02 2 572 151 55 LEU HD2 H 0.64 0.02 2 573 151 55 LEU C C 176.7 0.2 1 574 151 55 LEU CA C 54.4 0.2 1 575 151 55 LEU CB C 37.8 0.2 1 576 151 55 LEU CG C 23.7 0.2 1 577 151 55 LEU CD1 C 24.3 0.2 1 578 151 55 LEU CD2 C 19.2 0.2 1 579 151 55 LEU N N 119.6 0.2 1 580 152 56 GLU H H 8.56 0.02 1 581 152 56 GLU HA H 4.09 0.02 1 582 152 56 GLU HB2 H 2.21 0.02 2 583 152 56 GLU HB3 H 1.93 0.02 2 584 152 56 GLU HG2 H 2.42 0.02 1 585 152 56 GLU HG3 H 2.42 0.02 1 586 152 56 GLU C C 174.5 0.2 1 587 152 56 GLU CA C 55.0 0.2 1 588 152 56 GLU CB C 26.5 0.2 1 589 152 56 GLU CG C 33.7 0.2 1 590 152 56 GLU N N 117.3 0.2 1 591 153 57 ALA H H 7.11 0.02 1 592 153 57 ALA HA H 4.25 0.02 1 593 153 57 ALA HB H 1.48 0.02 1 594 153 57 ALA C C 174.5 0.2 1 595 153 57 ALA CA C 49.5 0.2 1 596 153 57 ALA CB C 15.6 0.2 1 597 153 57 ALA N N 119.7 0.2 1 598 154 58 GLU H H 7.38 0.02 1 599 154 58 GLU HA H 4.72 0.02 1 600 154 58 GLU HB2 H 2.06 0.02 2 601 154 58 GLU HB3 H 2.03 0.02 2 602 154 58 GLU HG2 H 2.12 0.02 2 603 154 58 GLU HG3 H 2.26 0.02 2 604 154 58 GLU CA C 50.2 0.2 1 605 154 58 GLU CB C 26.6 0.2 1 606 154 58 GLU CG C 32.5 0.2 1 607 154 58 GLU N N 121.6 0.2 1 608 155 59 PRO HA H 4.38 0.02 1 609 155 59 PRO HB2 H 1.89 0.02 2 610 155 59 PRO HB3 H 2.27 0.02 2 611 155 59 PRO HG2 H 1.95 0.02 2 612 155 59 PRO HG3 H 2.02 0.02 2 613 155 59 PRO HD2 H 3.75 0.02 2 614 155 59 PRO HD3 H 4.01 0.02 2 615 155 59 PRO C C 175.3 0.2 1 616 155 59 PRO CA C 60.8 0.2 1 617 155 59 PRO CB C 28.9 0.2 1 618 155 59 PRO CG C 24.1 0.2 1 619 155 59 PRO CD C 48.1 0.2 1 620 156 60 GLY H H 8.66 0.02 1 621 156 60 GLY HA2 H 3.82 0.02 2 622 156 60 GLY HA3 H 4.02 0.02 2 623 156 60 GLY C C 172.2 0.2 1 624 156 60 GLY CA C 42.4 0.2 1 625 156 60 GLY N N 108.4 0.2 1 626 157 61 LEU H H 7.35 0.02 1 627 157 61 LEU HA H 4.69 0.02 1 628 157 61 LEU HB2 H 1.80 0.02 2 629 157 61 LEU HB3 H 1.45 0.02 2 630 157 61 LEU HD1 H 0.86 0.02 2 631 157 61 LEU HD2 H 0.97 0.02 2 632 157 61 LEU CA C 50.0 0.2 1 633 157 61 LEU CB C 37.5 0.2 1 634 157 61 LEU CD1 C 19.1 0.2 1 635 157 61 LEU CD2 C 23.6 0.2 1 636 157 61 LEU N N 121.1 0.2 1 637 158 62 PRO HA H 4.76 0.02 1 638 158 62 PRO HB2 H 2.14 0.02 2 639 158 62 PRO HB3 H 2.61 0.02 2 640 158 62 PRO HG2 H 2.36 0.02 2 641 158 62 PRO HG3 H 2.04 0.02 2 642 158 62 PRO HD2 H 3.81 0.02 2 643 158 62 PRO HD3 H 3.93 0.02 2 644 158 62 PRO CA C 58.6 0.2 1 645 158 62 PRO CB C 28.7 0.2 1 646 158 62 PRO CG C 24.3 0.2 1 647 158 62 PRO CD C 47.8 0.2 1 648 159 63 PRO HA H 4.50 0.02 1 649 159 63 PRO HB2 H 2.31 0.02 2 650 159 63 PRO HB3 H 1.93 0.02 2 651 159 63 PRO HG2 H 2.11 0.02 2 652 159 63 PRO HG3 H 2.16 0.02 2 653 159 63 PRO HD2 H 3.84 0.02 2 654 159 63 PRO HD3 H 3.79 0.02 2 655 159 63 PRO C C 173.7 0.2 1 656 159 63 PRO CA C 59.6 0.2 1 657 159 63 PRO CB C 29.5 0.2 1 658 159 63 PRO CG C 24.8 0.2 1 659 159 63 PRO CD C 47.5 0.2 1 660 160 64 VAL H H 8.44 0.02 1 661 160 64 VAL HA H 4.84 0.02 1 662 160 64 VAL HB H 1.77 0.02 1 663 160 64 VAL HG1 H 0.69 0.02 2 664 160 64 VAL HG2 H 0.68 0.02 2 665 160 64 VAL C C 171.7 0.2 1 666 160 64 VAL CA C 56.1 0.2 1 667 160 64 VAL CB C 31.2 0.2 1 668 160 64 VAL CG1 C 19.2 0.2 1 669 160 64 VAL CG2 C 18.0 0.2 1 670 160 64 VAL N N 119.1 0.2 1 671 161 65 GLN H H 9.28 0.02 1 672 161 65 GLN HA H 4.76 0.02 1 673 161 65 GLN HB2 H 1.98 0.02 1 674 161 65 GLN HB3 H 1.98 0.02 1 675 161 65 GLN HG2 H 1.67 0.02 2 676 161 65 GLN HG3 H 2.16 0.02 2 677 161 65 GLN HE21 H 7.70 0.02 2 678 161 65 GLN HE22 H 7.48 0.02 2 679 161 65 GLN CA C 48.4 0.2 1 680 161 65 GLN CB C 27.7 0.2 1 681 161 65 GLN CG C 31.2 0.2 1 682 161 65 GLN N N 126.9 0.2 1 683 161 65 GLN NE2 N 117.5 0.2 1 684 162 66 PRO HA H 5.49 0.02 1 685 162 66 PRO HB2 H 1.70 0.02 1 686 162 66 PRO HB3 H 1.70 0.02 1 687 162 66 PRO HD2 H 3.96 0.02 2 688 162 66 PRO HD3 H 3.50 0.02 2 689 162 66 PRO C C 174.5 0.2 1 690 162 66 PRO CA C 57.8 0.2 1 691 162 66 PRO CB C 28.8 0.2 1 692 162 66 PRO CG C 25.8 0.2 1 693 162 66 PRO CD C 47.0 0.2 1 694 163 67 VAL H H 9.22 0.02 1 695 163 67 VAL HA H 4.86 0.02 1 696 163 67 VAL HB H 1.54 0.02 1 697 163 67 VAL HG1 H 0.47 0.02 2 698 163 67 VAL HG2 H 0.44 0.02 2 699 163 67 VAL C C 169.2 0.2 1 700 163 67 VAL CA C 57.7 0.2 1 701 163 67 VAL CB C 33.1 0.2 1 702 163 67 VAL CG1 C 19.1 0.2 1 703 163 67 VAL CG2 C 18.5 0.2 1 704 163 67 VAL N N 124.7 0.2 1 705 164 68 PHE H H 8.97 0.02 1 706 164 68 PHE HA H 5.77 0.02 1 707 164 68 PHE HB2 H 2.67 0.02 2 708 164 68 PHE HB3 H 2.84 0.02 2 709 164 68 PHE HD1 H 7.06 0.02 1 710 164 68 PHE HD2 H 7.06 0.02 1 711 164 68 PHE HE1 H 6.85 0.02 1 712 164 68 PHE HE2 H 6.85 0.02 1 713 164 68 PHE HZ H 6.38 0.02 1 714 164 68 PHE C C 169.6 0.2 1 715 164 68 PHE CA C 49.4 0.2 1 716 164 68 PHE CB C 39.0 0.2 1 717 164 68 PHE N N 127.5 0.2 1 718 165 69 ILE H H 8.56 0.02 1 719 165 69 ILE HA H 4.06 0.02 1 720 165 69 ILE HB H 0.20 0.02 1 721 165 69 ILE HG12 H 0.02 0.02 2 722 165 69 ILE HG13 H 0.59 0.02 2 723 165 69 ILE HG2 H 0.26 0.02 1 724 165 69 ILE HD1 H -0.49 0.02 1 725 165 69 ILE C C 171.0 0.2 1 726 165 69 ILE CA C 57.0 0.2 1 727 165 69 ILE CB C 35.8 0.2 1 728 165 69 ILE CG1 C 25.4 0.2 1 729 165 69 ILE CG2 C 14.2 0.2 1 730 165 69 ILE CD1 C 10.3 0.2 1 731 165 69 ILE N N 129.0 0.2 1 732 166 70 THR H H 6.84 0.02 1 733 166 70 THR HA H 4.96 0.02 1 734 166 70 THR HB H 3.95 0.02 1 735 166 70 THR HG2 H 1.35 0.02 1 736 166 70 THR C C 169.8 0.2 1 737 166 70 THR CA C 55.5 0.2 1 738 166 70 THR CB C 65.3 0.2 1 739 166 70 THR CG2 C 16.7 0.2 1 740 166 70 THR N N 118.8 0.2 1 741 167 71 VAL H H 8.02 0.02 1 742 167 71 VAL HA H 3.97 0.02 1 743 167 71 VAL HB H 1.61 0.02 1 744 167 71 VAL HG1 H 0.25 0.02 2 745 167 71 VAL HG2 H 0.41 0.02 2 746 167 71 VAL C C 171.4 0.2 1 747 167 71 VAL CA C 56.5 0.2 1 748 167 71 VAL CB C 26.4 0.2 1 749 167 71 VAL CG1 C 14.9 0.2 1 750 167 71 VAL CG2 C 18.8 0.2 1 751 167 71 VAL N N 112.6 0.2 1 752 168 72 ASP H H 9.77 0.02 1 753 168 72 ASP HA H 5.15 0.02 1 754 168 72 ASP HB2 H 3.01 0.02 2 755 168 72 ASP HB3 H 3.09 0.02 2 756 168 72 ASP CA C 48.2 0.2 1 757 168 72 ASP CB C 40.5 0.2 1 758 168 72 ASP N N 120.4 0.2 1 759 169 73 PRO HA H 4.21 0.02 1 760 169 73 PRO HB2 H 2.25 0.02 1 761 169 73 PRO HB3 H 2.25 0.02 1 762 169 73 PRO HG2 H 1.92 0.02 1 763 169 73 PRO HG3 H 1.92 0.02 1 764 169 73 PRO HD2 H 3.76 0.02 2 765 169 73 PRO HD3 H 3.13 0.02 2 766 169 73 PRO C C 173.4 0.2 1 767 169 73 PRO CA C 61.8 0.2 1 768 169 73 PRO CB C 29.0 0.2 1 769 169 73 PRO CG C 23.9 0.2 1 770 169 73 PRO CD C 47.8 0.2 1 771 170 74 GLU H H 8.62 0.02 1 772 170 74 GLU HA H 3.97 0.02 1 773 170 74 GLU HB2 H 1.94 0.02 1 774 170 74 GLU HB3 H 1.94 0.02 1 775 170 74 GLU HG2 H 2.23 0.02 2 776 170 74 GLU HG3 H 2.32 0.02 2 777 170 74 GLU C C 175.3 0.2 1 778 170 74 GLU CA C 56.8 0.2 1 779 170 74 GLU CB C 26.5 0.2 1 780 170 74 GLU CG C 34.3 0.2 1 781 170 74 GLU N N 118.4 0.2 1 782 171 75 ARG H H 6.70 0.02 1 783 171 75 ARG HA H 4.19 0.02 1 784 171 75 ARG HB2 H 1.75 0.02 1 785 171 75 ARG HB3 H 1.75 0.02 1 786 171 75 ARG HG2 H 1.95 0.02 1 787 171 75 ARG HG3 H 1.95 0.02 1 788 171 75 ARG HD2 H 3.02 0.02 1 789 171 75 ARG HD3 H 3.02 0.02 1 790 171 75 ARG C C 173.8 0.2 1 791 171 75 ARG CA C 54.4 0.2 1 792 171 75 ARG CB C 30.4 0.2 1 793 171 75 ARG CD C 40.5 0.2 1 794 171 75 ARG N N 112.8 0.2 1 795 172 76 ASP H H 8.61 0.02 1 796 172 76 ASP HA H 4.74 0.02 1 797 172 76 ASP HB2 H 2.71 0.02 1 798 172 76 ASP HB3 H 2.71 0.02 1 799 172 76 ASP C C 171.1 0.2 1 800 172 76 ASP CA C 50.2 0.2 1 801 172 76 ASP CB C 35.8 0.2 1 802 172 76 ASP N N 125.5 0.2 1 803 173 77 ASP H H 7.41 0.02 1 804 173 77 ASP HA H 4.59 0.02 1 805 173 77 ASP HB2 H 2.76 0.02 2 806 173 77 ASP HB3 H 3.25 0.02 2 807 173 77 ASP C C 172.4 0.2 1 808 173 77 ASP CA C 49.4 0.2 1 809 173 77 ASP CB C 38.0 0.2 1 810 173 77 ASP N N 122.0 0.2 1 811 174 78 VAL H H 7.92 0.02 1 812 174 78 VAL HA H 3.28 0.02 1 813 174 78 VAL HB H 1.98 0.02 1 814 174 78 VAL HG1 H 0.83 0.02 2 815 174 78 VAL HG2 H 1.00 0.02 2 816 174 78 VAL C C 174.4 0.2 1 817 174 78 VAL CA C 65.1 0.2 1 818 174 78 VAL CB C 29.1 0.2 1 819 174 78 VAL CG1 C 18.4 0.2 1 820 174 78 VAL CG2 C 19.9 0.2 1 821 174 78 VAL N N 118.1 0.2 1 822 175 79 GLU H H 7.75 0.02 1 823 175 79 GLU HA H 4.07 0.02 1 824 175 79 GLU HB2 H 2.05 0.02 2 825 175 79 GLU HB3 H 2.01 0.02 2 826 175 79 GLU HG2 H 2.28 0.02 2 827 175 79 GLU HG3 H 2.34 0.02 2 828 175 79 GLU C C 176.7 0.2 1 829 175 79 GLU CA C 56.7 0.2 1 830 175 79 GLU CB C 26.4 0.2 1 831 175 79 GLU CG C 33.7 0.2 1 832 175 79 GLU N N 116.6 0.2 1 833 176 80 ALA H H 8.34 0.02 1 834 176 80 ALA HA H 4.11 0.02 1 835 176 80 ALA HB H 1.65 0.02 1 836 176 80 ALA C C 179.5 0.2 1 837 176 80 ALA CA C 52.0 0.2 1 838 176 80 ALA CB C 15.8 0.2 1 839 176 80 ALA N N 122.8 0.2 1 840 177 81 MET H H 8.61 0.02 1 841 177 81 MET HA H 4.37 0.02 1 842 177 81 MET HB2 H 2.55 0.02 2 843 177 81 MET HB3 H 2.36 0.02 2 844 177 81 MET HG2 H 2.00 0.02 1 845 177 81 MET HG3 H 2.00 0.02 1 846 177 81 MET HE H 1.49 0.02 1 847 177 81 MET C C 175.4 0.2 1 848 177 81 MET CA C 54.1 0.2 1 849 177 81 MET CB C 28.5 0.2 1 850 177 81 MET CG C 30.2 0.2 1 851 177 81 MET N N 116.3 0.2 1 852 178 82 ALA H H 8.69 0.02 1 853 178 82 ALA HA H 3.91 0.02 1 854 178 82 ALA HB H 1.82 0.02 1 855 178 82 ALA C C 177.4 0.2 1 856 178 82 ALA CA C 52.4 0.2 1 857 178 82 ALA CB C 14.8 0.2 1 858 178 82 ALA N N 122.8 0.2 1 859 179 83 ARG H H 7.67 0.02 1 860 179 83 ARG HA H 4.00 0.02 1 861 179 83 ARG HB2 H 1.84 0.02 2 862 179 83 ARG HB3 H 1.89 0.02 2 863 179 83 ARG HG2 H 1.79 0.02 1 864 179 83 ARG HG3 H 1.79 0.02 1 865 179 83 ARG HD2 H 3.21 0.02 1 866 179 83 ARG HD3 H 3.21 0.02 1 867 179 83 ARG C C 174.8 0.2 1 868 179 83 ARG CA C 55.6 0.2 1 869 179 83 ARG CB C 27.5 0.2 1 870 179 83 ARG CG C 24.5 0.2 1 871 179 83 ARG CD C 40.5 0.2 1 872 179 83 ARG N N 115.1 0.2 1 873 180 84 TYR H H 7.70 0.02 1 874 180 84 TYR HA H 4.33 0.02 1 875 180 84 TYR HB2 H 2.97 0.02 2 876 180 84 TYR HB3 H 3.25 0.02 2 877 180 84 TYR HD1 H 6.84 0.02 1 878 180 84 TYR HD2 H 6.84 0.02 1 879 180 84 TYR HE1 H 6.37 0.02 1 880 180 84 TYR HE2 H 6.37 0.02 1 881 180 84 TYR C C 176.1 0.2 1 882 180 84 TYR CA C 58.7 0.2 1 883 180 84 TYR CB C 37.9 0.2 1 884 180 84 TYR N N 119.2 0.2 1 885 181 85 VAL H H 8.44 0.02 1 886 181 85 VAL HA H 3.97 0.02 1 887 181 85 VAL HB H 2.07 0.02 1 888 181 85 VAL HG1 H 0.52 0.02 2 889 181 85 VAL HG2 H 1.06 0.02 2 890 181 85 VAL C C 175.6 0.2 1 891 181 85 VAL CA C 62.2 0.2 1 892 181 85 VAL CB C 28.9 0.2 1 893 181 85 VAL CG1 C 12.8 0.2 1 894 181 85 VAL CG2 C 18.9 0.2 1 895 181 85 VAL N N 107.7 0.2 1 896 182 86 GLN H H 6.79 0.02 1 897 182 86 GLN HA H 4.01 0.02 1 898 182 86 GLN HB2 H 2.05 0.02 2 899 182 86 GLN HB3 H 2.16 0.02 2 900 182 86 GLN HG2 H 2.36 0.02 2 901 182 86 GLN HG3 H 2.41 0.02 2 902 182 86 GLN HE21 H 6.76 0.02 2 903 182 86 GLN HE22 H 7.48 0.02 2 904 182 86 GLN C C 173.9 0.2 1 905 182 86 GLN CA C 55.3 0.2 1 906 182 86 GLN CB C 25.7 0.2 1 907 182 86 GLN CG C 30.7 0.2 1 908 182 86 GLN N N 115.8 0.2 1 909 182 86 GLN NE2 N 111.4 0.2 1 910 183 87 ASP H H 7.09 0.02 1 911 183 87 ASP HA H 4.39 0.02 1 912 183 87 ASP HB2 H 2.27 0.02 2 913 183 87 ASP HB3 H 2.10 0.02 2 914 183 87 ASP C C 173.7 0.2 1 915 183 87 ASP CA C 52.2 0.2 1 916 183 87 ASP CB C 37.5 0.2 1 917 183 87 ASP N N 116.1 0.2 1 918 184 88 PHE H H 7.56 0.02 1 919 184 88 PHE HA H 4.26 0.02 1 920 184 88 PHE HB2 H 2.83 0.02 2 921 184 88 PHE HB3 H 2.78 0.02 2 922 184 88 PHE HD1 H 6.90 0.02 1 923 184 88 PHE HD2 H 6.90 0.02 1 924 184 88 PHE HE1 H 6.62 0.02 1 925 184 88 PHE HE2 H 6.62 0.02 1 926 184 88 PHE HZ H 6.88 0.02 1 927 184 88 PHE C C 172.9 0.2 1 928 184 88 PHE CA C 57.9 0.2 1 929 184 88 PHE CB C 37.9 0.2 1 930 184 88 PHE N N 116.9 0.2 1 931 185 89 HIS H H 7.07 0.02 1 932 185 89 HIS HA H 4.64 0.02 1 933 185 89 HIS HB2 H 3.39 0.02 2 934 185 89 HIS HB3 H 2.51 0.02 2 935 185 89 HIS HD2 H 6.90 0.02 1 936 185 89 HIS HE1 H 7.67 0.02 1 937 185 89 HIS CA C 53.7 0.2 1 938 185 89 HIS CB C 31.3 0.2 1 939 185 89 HIS N N 115.9 0.2 1 940 185 89 HIS ND1 N 251.5 0.2 1 941 185 89 HIS NE2 N 168.3 0.2 1 942 186 90 PRO HA H 4.49 0.02 1 943 186 90 PRO HB2 H 2.29 0.02 2 944 186 90 PRO HB3 H 1.86 0.02 2 945 186 90 PRO HG2 H 1.80 0.02 2 946 186 90 PRO HG3 H 1.60 0.02 2 947 186 90 PRO HD2 H 3.34 0.02 2 948 186 90 PRO HD3 H 2.21 0.02 2 949 186 90 PRO C C 175.0 0.2 1 950 186 90 PRO CA C 61.5 0.2 1 951 186 90 PRO CB C 29.5 0.2 1 952 186 90 PRO CG C 24.1 0.2 1 953 186 90 PRO CD C 48.0 0.2 1 954 187 91 ARG H H 11.15 0.02 1 955 187 91 ARG HA H 4.70 0.02 1 956 187 91 ARG HB2 H 1.74 0.02 2 957 187 91 ARG HB3 H 2.31 0.02 2 958 187 91 ARG HG2 H 1.81 0.02 2 959 187 91 ARG HG3 H 2.24 0.02 2 960 187 91 ARG HD2 H 3.42 0.02 1 961 187 91 ARG HD3 H 3.42 0.02 1 962 187 91 ARG C C 173.7 0.2 1 963 187 91 ARG CA C 52.4 0.2 1 964 187 91 ARG CB C 27.9 0.2 1 965 187 91 ARG CG C 26.6 0.2 1 966 187 91 ARG CD C 40.1 0.2 1 967 187 91 ARG N N 119.4 0.2 1 968 188 92 LEU H H 7.38 0.02 1 969 188 92 LEU HA H 4.04 0.02 1 970 188 92 LEU HB2 H 2.10 0.02 2 971 188 92 LEU HB3 H 1.04 0.02 2 972 188 92 LEU HG H 0.74 0.02 1 973 188 92 LEU HD1 H 1.33 0.02 2 974 188 92 LEU HD2 H 0.64 0.02 2 975 188 92 LEU C C 171.8 0.2 1 976 188 92 LEU CA C 53.3 0.2 1 977 188 92 LEU CB C 39.4 0.2 1 978 188 92 LEU CG C 23.3 0.2 1 979 188 92 LEU CD1 C 24.0 0.2 1 980 188 92 LEU CD2 C 20.8 0.2 1 981 188 92 LEU N N 120.0 0.2 1 982 189 93 LEU H H 7.60 0.02 1 983 189 93 LEU HA H 4.91 0.02 1 984 189 93 LEU HB2 H 1.67 0.02 2 985 189 93 LEU HB3 H 1.78 0.02 2 986 189 93 LEU HG H 1.76 0.02 1 987 189 93 LEU HD1 H 0.99 0.02 2 988 189 93 LEU HD2 H 1.06 0.02 2 989 189 93 LEU C C 172.6 0.2 1 990 189 93 LEU CA C 50.8 0.2 1 991 189 93 LEU CB C 42.7 0.2 1 992 189 93 LEU CG C 23.8 0.2 1 993 189 93 LEU CD1 C 22.3 0.2 1 994 189 93 LEU CD2 C 22.3 0.2 1 995 189 93 LEU N N 130.3 0.2 1 996 190 94 GLY H H 10.48 0.02 1 997 190 94 GLY HA2 H 5.34 0.02 2 998 190 94 GLY HA3 H 3.13 0.02 2 999 190 94 GLY C C 169.1 0.2 1 1000 190 94 GLY CA C 41.8 0.2 1 1001 190 94 GLY N N 116.9 0.2 1 1002 191 95 LEU H H 9.15 0.02 1 1003 191 95 LEU HA H 5.45 0.02 1 1004 191 95 LEU HB2 H 1.08 0.02 2 1005 191 95 LEU HB3 H 1.48 0.02 2 1006 191 95 LEU HG H 1.29 0.02 1 1007 191 95 LEU HD1 H 0.71 0.02 2 1008 191 95 LEU HD2 H 0.36 0.02 2 1009 191 95 LEU C C 171.6 0.2 1 1010 191 95 LEU CA C 50.0 0.2 1 1011 191 95 LEU CB C 41.5 0.2 1 1012 191 95 LEU CG C 23.4 0.2 1 1013 191 95 LEU CD1 C 21.7 0.2 1 1014 191 95 LEU CD2 C 23.8 0.2 1 1015 191 95 LEU N N 123.3 0.2 1 1016 192 96 THR H H 9.29 0.02 1 1017 192 96 THR HA H 4.47 0.02 1 1018 192 96 THR HB H 3.84 0.02 1 1019 192 96 THR HG1 H 5.67 0.02 1 1020 192 96 THR HG2 H 0.90 0.02 1 1021 192 96 THR C C 168.3 0.2 1 1022 192 96 THR CA C 54.5 0.2 1 1023 192 96 THR CB C 66.7 0.2 1 1024 192 96 THR CG2 C 15.8 0.2 1 1025 192 96 THR N N 116.6 0.2 1 1026 193 97 GLY H H 8.17 0.02 1 1027 193 97 GLY HA2 H 4.01 0.02 2 1028 193 97 GLY HA3 H 4.24 0.02 2 1029 193 97 GLY C C 169.4 0.2 1 1030 193 97 GLY CA C 42.1 0.2 1 1031 193 97 GLY N N 107.5 0.2 1 1032 194 98 SER H H 8.85 0.02 1 1033 194 98 SER HA H 4.65 0.02 1 1034 194 98 SER HB2 H 4.47 0.02 1 1035 194 98 SER HB3 H 4.47 0.02 1 1036 194 98 SER C C 172.5 0.2 1 1037 194 98 SER CA C 53.8 0.2 1 1038 194 98 SER CB C 62.5 0.2 1 1039 194 98 SER N N 115.5 0.2 1 1040 195 99 THR H H 8.87 0.02 1 1041 195 99 THR HA H 3.74 0.02 1 1042 195 99 THR HB H 4.13 0.02 1 1043 195 99 THR HG2 H 1.31 0.02 1 1044 195 99 THR CA C 63.7 0.2 1 1045 195 99 THR CB C 65.4 0.2 1 1046 195 99 THR CG2 C 19.0 0.2 1 1047 195 99 THR N N 114.7 0.2 1 1048 196 100 LYS HA H 4.22 0.02 1 1049 196 100 LYS HB2 H 1.78 0.02 1 1050 196 100 LYS HB3 H 1.78 0.02 1 1051 196 100 LYS HG2 H 1.36 0.02 2 1052 196 100 LYS HG3 H 1.46 0.02 2 1053 196 100 LYS HD2 H 1.63 0.02 1 1054 196 100 LYS HD3 H 1.63 0.02 1 1055 196 100 LYS HE2 H 2.91 0.02 1 1056 196 100 LYS HE3 H 2.91 0.02 1 1057 196 100 LYS C C 176.2 0.2 1 1058 196 100 LYS CA C 56.2 0.2 1 1059 196 100 LYS CB C 29.7 0.2 1 1060 196 100 LYS CG C 22.0 0.2 1 1061 196 100 LYS CD C 26.0 0.2 1 1062 196 100 LYS CE C 38.9 0.2 1 1063 197 101 GLN H H 7.92 0.02 1 1064 197 101 GLN HA H 4.18 0.02 1 1065 197 101 GLN HB2 H 2.30 0.02 2 1066 197 101 GLN HB3 H 2.50 0.02 2 1067 197 101 GLN HG2 H 2.46 0.02 2 1068 197 101 GLN HG3 H 2.62 0.02 2 1069 197 101 GLN HE21 H 7.42 0.02 2 1070 197 101 GLN HE22 H 6.69 0.02 2 1071 197 101 GLN C C 177.9 0.2 1 1072 197 101 GLN CA C 56.2 0.2 1 1073 197 101 GLN CB C 25.5 0.2 1 1074 197 101 GLN CG C 33.7 0.2 1 1075 197 101 GLN N N 120.6 0.2 1 1076 197 101 GLN NE2 N 112.9 0.2 1 1077 198 102 VAL H H 8.43 0.02 1 1078 198 102 VAL HA H 3.51 0.02 1 1079 198 102 VAL HB H 1.94 0.02 1 1080 198 102 VAL HG1 H 0.76 0.02 2 1081 198 102 VAL HG2 H 0.83 0.02 2 1082 198 102 VAL C C 175.7 0.2 1 1083 198 102 VAL CA C 64.3 0.2 1 1084 198 102 VAL CB C 29.2 0.2 1 1085 198 102 VAL CG1 C 20.7 0.2 1 1086 198 102 VAL CG2 C 18.1 0.2 1 1087 198 102 VAL N N 121.6 0.2 1 1088 199 103 ALA H H 8.20 0.02 1 1089 199 103 ALA HA H 4.40 0.02 1 1090 199 103 ALA HB H 1.56 0.02 1 1091 199 103 ALA C C 177.8 0.2 1 1092 199 103 ALA CA C 52.5 0.2 1 1093 199 103 ALA CB C 15.0 0.2 1 1094 199 103 ALA N N 125.0 0.2 1 1095 200 104 GLN H H 8.12 0.02 1 1096 200 104 GLN HA H 4.13 0.02 1 1097 200 104 GLN HB2 H 2.21 0.02 2 1098 200 104 GLN HB3 H 2.25 0.02 2 1099 200 104 GLN HG2 H 2.59 0.02 2 1100 200 104 GLN HG3 H 2.48 0.02 2 1101 200 104 GLN HE21 H 6.85 0.02 2 1102 200 104 GLN HE22 H 7.44 0.02 2 1103 200 104 GLN C C 176.2 0.2 1 1104 200 104 GLN CA C 56.4 0.2 1 1105 200 104 GLN CB C 25.2 0.2 1 1106 200 104 GLN CG C 31.1 0.2 1 1107 200 104 GLN CD C 177.6 0.2 1 1108 200 104 GLN N N 117.8 0.2 1 1109 200 104 GLN NE2 N 111.7 0.2 1 1110 201 105 ALA H H 7.94 0.02 1 1111 201 105 ALA HA H 4.44 0.02 1 1112 201 105 ALA HB H 1.59 0.02 1 1113 201 105 ALA C C 176.6 0.2 1 1114 201 105 ALA CA C 52.4 0.2 1 1115 201 105 ALA CB C 15.3 0.2 1 1116 201 105 ALA N N 122.3 0.2 1 1117 202 106 SER H H 8.60 0.02 1 1118 202 106 SER HA H 3.74 0.02 1 1119 202 106 SER HB2 H 3.93 0.02 2 1120 202 106 SER HB3 H 3.73 0.02 2 1121 202 106 SER C C 174.4 0.2 1 1122 202 106 SER CA C 59.4 0.2 1 1123 202 106 SER CB C 59.8 0.2 1 1124 202 106 SER N N 112.9 0.2 1 1125 203 107 HIS H H 8.47 0.02 1 1126 203 107 HIS HA H 4.30 0.02 1 1127 203 107 HIS HB2 H 3.29 0.02 2 1128 203 107 HIS HB3 H 3.18 0.02 2 1129 203 107 HIS HD2 H 6.96 0.02 1 1130 203 107 HIS HE1 H 8.07 0.02 1 1131 203 107 HIS C C 176.6 0.2 1 1132 203 107 HIS CA C 56.4 0.2 1 1133 203 107 HIS CB C 26.9 0.2 1 1134 203 107 HIS N N 122.8 0.2 1 1135 203 107 HIS ND1 N 227.6 0.2 1 1136 203 107 HIS NE2 N 178.2 0.2 1 1137 204 108 SER H H 7.90 0.02 1 1138 204 108 SER HA H 4.71 0.02 1 1139 204 108 SER HB2 H 3.98 0.02 1 1140 204 108 SER HB3 H 3.98 0.02 1 1141 204 108 SER C C 171.6 0.2 1 1142 204 108 SER CA C 59.0 0.2 1 1143 204 108 SER CB C 60.4 0.2 1 1144 204 108 SER N N 115.4 0.2 1 1145 205 109 TYR H H 6.82 0.02 1 1146 205 109 TYR HA H 3.66 0.02 1 1147 205 109 TYR HB2 H 1.75 0.02 2 1148 205 109 TYR HB3 H 1.34 0.02 2 1149 205 109 TYR C C 170.0 0.2 1 1150 205 109 TYR CA C 56.6 0.2 1 1151 205 109 TYR CB C 35.2 0.2 1 1152 205 109 TYR N N 116.8 0.2 1 1153 206 110 ARG H H 7.58 0.02 1 1154 206 110 ARG HA H 3.98 0.02 1 1155 206 110 ARG N N 115.9 0.2 1 1156 207 111 VAL H H 7.72 0.02 1 1157 207 111 VAL HA H 3.52 0.02 1 1158 207 111 VAL HB H 1.26 0.02 1 1159 207 111 VAL HG1 H 0.52 0.02 2 1160 207 111 VAL HG2 H -0.34 0.02 2 1161 207 111 VAL C C 173.0 0.2 1 1162 207 111 VAL CA C 59.5 0.2 1 1163 207 111 VAL CB C 29.7 0.2 1 1164 207 111 VAL CG1 C 16.3 0.2 1 1165 207 111 VAL CG2 C 17.1 0.2 1 1166 207 111 VAL N N 121.8 0.2 1 1167 208 112 TYR H H 8.40 0.02 1 1168 208 112 TYR HA H 4.67 0.02 1 1169 208 112 TYR HB2 H 2.90 0.02 2 1170 208 112 TYR HB3 H 2.58 0.02 2 1171 208 112 TYR C C 171.8 0.2 1 1172 208 112 TYR CA C 53.6 0.2 1 1173 208 112 TYR CB C 37.7 0.2 1 1174 208 112 TYR N N 129.0 0.2 1 1175 209 113 TYR H H 7.19 0.02 1 1176 209 113 TYR HA H 5.25 0.02 1 1177 209 113 TYR HB2 H 2.63 0.02 2 1178 209 113 TYR HB3 H 2.97 0.02 2 1179 209 113 TYR HD1 H 6.70 0.02 1 1180 209 113 TYR HD2 H 6.70 0.02 1 1181 209 113 TYR HE1 H 6.72 0.02 1 1182 209 113 TYR HE2 H 6.72 0.02 1 1183 209 113 TYR C C 171.2 0.2 1 1184 209 113 TYR CA C 53.4 0.2 1 1185 209 113 TYR CB C 36.8 0.2 1 1186 209 113 TYR N N 120.6 0.2 1 1187 210 114 ASN H H 8.41 0.02 1 1188 210 114 ASN HA H 4.54 0.02 1 1189 210 114 ASN HB2 H 2.48 0.02 2 1190 210 114 ASN HB3 H 2.66 0.02 2 1191 210 114 ASN HD21 H 6.55 0.02 2 1192 210 114 ASN HD22 H 7.32 0.02 2 1193 210 114 ASN C C 171.2 0.2 1 1194 210 114 ASN CA C 50.5 0.2 1 1195 210 114 ASN CB C 39.5 0.2 1 1196 210 114 ASN N N 117.4 0.2 1 1197 210 114 ASN ND2 N 110.4 0.2 1 1198 211 115 ALA H H 9.01 0.02 1 1199 211 115 ALA HA H 4.50 0.02 1 1200 211 115 ALA HB H 1.32 0.02 1 1201 211 115 ALA C C 174.4 0.2 1 1202 211 115 ALA CA C 50.3 0.2 1 1203 211 115 ALA CB C 16.0 0.2 1 1204 211 115 ALA N N 131.9 0.2 1 1205 212 116 GLY H H 8.67 0.02 1 1206 212 116 GLY HA2 H 4.25 0.02 2 1207 212 116 GLY HA3 H 3.96 0.02 2 1208 212 116 GLY CA C 41.3 0.2 1 1209 212 116 GLY N N 110.9 0.2 1 1210 213 117 PRO HA H 4.29 0.02 1 1211 213 117 PRO HB2 H 1.83 0.02 2 1212 213 117 PRO HB3 H 2.20 0.02 2 1213 213 117 PRO HG2 H 1.96 0.02 2 1214 213 117 PRO HG3 H 1.93 0.02 2 1215 213 117 PRO HD2 H 3.55 0.02 2 1216 213 117 PRO HD3 H 3.57 0.02 2 1217 213 117 PRO C C 174.8 0.2 1 1218 213 117 PRO CA C 59.4 0.2 1 1219 213 117 PRO CB C 29.3 0.2 1 1220 213 117 PRO CG C 24.2 0.2 1 1221 213 117 PRO CD C 46.6 0.2 1 1222 214 118 LYS H H 8.26 0.02 1 1223 214 118 LYS HA H 4.73 0.02 1 1224 214 118 LYS HB2 H 1.65 0.02 2 1225 214 118 LYS HB3 H 1.66 0.02 2 1226 214 118 LYS HG2 H 1.04 0.02 2 1227 214 118 LYS HG3 H 1.29 0.02 2 1228 214 118 LYS HD2 H 1.49 0.02 1 1229 214 118 LYS HD3 H 1.49 0.02 1 1230 214 118 LYS HE2 H 2.64 0.02 2 1231 214 118 LYS HE3 H 2.58 0.02 2 1232 214 118 LYS C C 174.7 0.2 1 1233 214 118 LYS CA C 53.0 0.2 1 1234 214 118 LYS CB C 31.3 0.2 1 1235 214 118 LYS CG C 23.1 0.2 1 1236 214 118 LYS CD C 26.3 0.2 1 1237 214 118 LYS CE C 38.7 0.2 1 1238 214 118 LYS N N 121.3 0.2 1 1239 215 119 ASP H H 8.63 0.02 1 1240 215 119 ASP HA H 4.71 0.02 1 1241 215 119 ASP HB2 H 3.13 0.02 2 1242 215 119 ASP HB3 H 2.79 0.02 2 1243 215 119 ASP C C 175.8 0.2 1 1244 215 119 ASP CA C 49.6 0.2 1 1245 215 119 ASP CB C 38.3 0.2 1 1246 215 119 ASP N N 123.2 0.2 1 1247 216 120 GLU H H 8.73 0.02 1 1248 216 120 GLU HA H 4.09 0.02 1 1249 216 120 GLU HB2 H 2.03 0.02 2 1250 216 120 GLU HB3 H 1.99 0.02 2 1251 216 120 GLU HG2 H 2.29 0.02 1 1252 216 120 GLU HG3 H 2.29 0.02 1 1253 216 120 GLU C C 174.4 0.2 1 1254 216 120 GLU CA C 56.2 0.2 1 1255 216 120 GLU CB C 26.2 0.2 1 1256 216 120 GLU CG C 33.5 0.2 1 1257 216 120 GLU N N 118.5 0.2 1 1258 217 121 ASP H H 8.18 0.02 1 1259 217 121 ASP HA H 4.73 0.02 1 1260 217 121 ASP HB2 H 2.62 0.02 2 1261 217 121 ASP HB3 H 2.84 0.02 2 1262 217 121 ASP C C 172.9 0.2 1 1263 217 121 ASP CA C 51.4 0.2 1 1264 217 121 ASP CB C 38.6 0.2 1 1265 217 121 ASP N N 119.3 0.2 1 1266 218 122 GLN H H 8.23 0.02 1 1267 218 122 GLN HA H 3.83 0.02 1 1268 218 122 GLN HB2 H 2.33 0.02 2 1269 218 122 GLN HB3 H 2.37 0.02 2 1270 218 122 GLN HG2 H 2.37 0.02 2 1271 218 122 GLN HG3 H 2.22 0.02 2 1272 218 122 GLN HE21 H 6.76 0.02 2 1273 218 122 GLN HE22 H 7.38 0.02 2 1274 218 122 GLN C C 171.8 0.2 1 1275 218 122 GLN CA C 53.9 0.2 1 1276 218 122 GLN CB C 23.7 0.2 1 1277 218 122 GLN CG C 31.0 0.2 1 1278 218 122 GLN CD C 178.0 0.2 1 1279 218 122 GLN N N 113.1 0.2 1 1280 218 122 GLN NE2 N 113.1 0.2 1 1281 219 123 ASP H H 8.47 0.02 1 1282 219 123 ASP HA H 4.66 0.02 1 1283 219 123 ASP HB2 H 2.87 0.02 2 1284 219 123 ASP HB3 H 2.60 0.02 2 1285 219 123 ASP C C 172.2 0.2 1 1286 219 123 ASP CA C 50.6 0.2 1 1287 219 123 ASP CB C 39.1 0.2 1 1288 219 123 ASP N N 121.4 0.2 1 1289 220 124 TYR H H 7.56 0.02 1 1290 220 124 TYR HA H 4.67 0.02 1 1291 220 124 TYR HB2 H 2.60 0.02 2 1292 220 124 TYR HB3 H 2.96 0.02 2 1293 220 124 TYR HD1 H 6.67 0.02 1 1294 220 124 TYR HD2 H 6.67 0.02 1 1295 220 124 TYR HE1 H 6.49 0.02 1 1296 220 124 TYR HE2 H 6.49 0.02 1 1297 220 124 TYR C C 171.5 0.2 1 1298 220 124 TYR CA C 53.6 0.2 1 1299 220 124 TYR CB C 36.7 0.2 1 1300 220 124 TYR N N 114.3 0.2 1 1301 221 125 ILE H H 8.84 0.02 1 1302 221 125 ILE HA H 4.47 0.02 1 1303 221 125 ILE HB H 2.06 0.02 1 1304 221 125 ILE HG12 H 1.39 0.02 2 1305 221 125 ILE HG13 H 1.51 0.02 2 1306 221 125 ILE HG2 H 1.08 0.02 1 1307 221 125 ILE HD1 H 0.98 0.02 1 1308 221 125 ILE C C 172.4 0.2 1 1309 221 125 ILE CA C 55.9 0.2 1 1310 221 125 ILE CB C 37.8 0.2 1 1311 221 125 ILE CG1 C 24.5 0.2 1 1312 221 125 ILE CG2 C 15.5 0.2 1 1313 221 125 ILE CD1 C 9.9 0.2 1 1314 221 125 ILE N N 118.4 0.2 1 1315 222 126 VAL H H 6.13 0.02 1 1316 222 126 VAL HA H 4.23 0.02 1 1317 222 126 VAL HB H 0.60 0.02 1 1318 222 126 VAL HG1 H 0.34 0.02 2 1319 222 126 VAL HG2 H 0.64 0.02 2 1320 222 126 VAL C C 172.3 0.2 1 1321 222 126 VAL CA C 58.3 0.2 1 1322 222 126 VAL CB C 29.8 0.2 1 1323 222 126 VAL CG1 C 18.2 0.2 1 1324 222 126 VAL CG2 C 18.3 0.2 1 1325 222 126 VAL N N 124.6 0.2 1 1326 223 127 ASP H H 8.30 0.02 1 1327 223 127 ASP HA H 4.74 0.02 1 1328 223 127 ASP HB2 H 2.79 0.02 2 1329 223 127 ASP HB3 H 2.75 0.02 2 1330 223 127 ASP C C 173.1 0.2 1 1331 223 127 ASP CA C 51.3 0.2 1 1332 223 127 ASP CB C 39.3 0.2 1 1333 223 127 ASP N N 129.2 0.2 1 1334 224 128 HIS H H 8.13 0.02 1 1335 224 128 HIS HA H 5.76 0.02 1 1336 224 128 HIS HB2 H 3.20 0.02 2 1337 224 128 HIS HB3 H 2.97 0.02 2 1338 224 128 HIS HD1 H 11.50 0.02 1 1339 224 128 HIS HD2 H 7.48 0.02 1 1340 224 128 HIS HE1 H 8.35 0.02 1 1341 224 128 HIS C C 172.0 0.2 1 1342 224 128 HIS CA C 51.2 0.2 1 1343 224 128 HIS CB C 29.1 0.2 1 1344 224 128 HIS N N 119.1 0.2 1 1345 224 128 HIS ND1 N 170.4 0.2 1 1346 224 128 HIS NE2 N 219.8 0.2 1 1347 225 129 SER H H 9.15 0.02 1 1348 225 129 SER HA H 3.56 0.02 1 1349 225 129 SER HB2 H 4.31 0.02 1 1350 225 129 SER HB3 H 4.31 0.02 1 1351 225 129 SER C C 172.9 0.2 1 1352 225 129 SER CA C 55.8 0.2 1 1353 225 129 SER CB C 61.5 0.2 1 1354 225 129 SER N N 116.8 0.2 1 1355 226 130 ILE H H 8.89 0.02 1 1356 226 130 ILE HB H 1.88 0.02 1 1357 226 130 ILE HG12 H 1.21 0.02 2 1358 226 130 ILE HG13 H 1.40 0.02 2 1359 226 130 ILE HG2 H 0.95 0.02 1 1360 226 130 ILE HD1 H 0.87 0.02 1 1361 226 130 ILE C C 171.6 0.2 1 1362 226 130 ILE CA C 59.4 0.2 1 1363 226 130 ILE CB C 35.6 0.2 1 1364 226 130 ILE CG1 C 24.0 0.2 1 1365 226 130 ILE CG2 C 14.1 0.2 1 1366 226 130 ILE CD1 C 10.4 0.2 1 1367 226 130 ILE N N 123.4 0.2 1 1368 227 131 ALA H H 8.35 0.02 1 1369 227 131 ALA HA H 4.84 0.02 1 1370 227 131 ALA HB H 0.96 0.02 1 1371 227 131 ALA C C 172.6 0.2 1 1372 227 131 ALA CA C 49.6 0.2 1 1373 227 131 ALA CB C 18.3 0.2 1 1374 227 131 ALA N N 127.9 0.2 1 1375 228 132 ILE H H 8.34 0.02 1 1376 228 132 ILE HA H 5.13 0.02 1 1377 228 132 ILE HG12 H 1.70 0.02 1 1378 228 132 ILE HG13 H 1.70 0.02 1 1379 228 132 ILE HG2 H 0.90 0.02 1 1380 228 132 ILE HD1 H 0.74 0.02 1 1381 228 132 ILE C C 172.3 0.2 1 1382 228 132 ILE CA C 57.4 0.2 1 1383 228 132 ILE CB C 38.5 0.2 1 1384 228 132 ILE CG1 C 25.3 0.2 1 1385 228 132 ILE CG2 C 15.8 0.2 1 1386 228 132 ILE CD1 C 10.4 0.2 1 1387 228 132 ILE N N 118.3 0.2 1 1388 229 133 TYR H H 9.64 0.02 1 1389 229 133 TYR HA H 4.98 0.02 1 1390 229 133 TYR HB2 H 2.82 0.02 2 1391 229 133 TYR HB3 H 2.63 0.02 2 1392 229 133 TYR HD1 H 7.21 0.02 1 1393 229 133 TYR HD2 H 7.21 0.02 1 1394 229 133 TYR HE1 H 6.81 0.02 1 1395 229 133 TYR HE2 H 6.81 0.02 1 1396 229 133 TYR C C 171.7 0.2 1 1397 229 133 TYR CA C 54.5 0.2 1 1398 229 133 TYR CB C 39.0 0.2 1 1399 229 133 TYR N N 126.0 0.2 1 1400 230 134 LEU H H 8.87 0.02 1 1401 230 134 LEU HA H 5.78 0.02 1 1402 230 134 LEU HB2 H 1.87 0.02 2 1403 230 134 LEU HB3 H 1.32 0.02 2 1404 230 134 LEU HG H 1.00 0.02 1 1405 230 134 LEU HD1 H 1.22 0.02 2 1406 230 134 LEU HD2 H 1.22 0.02 2 1407 230 134 LEU C C 172.8 0.2 1 1408 230 134 LEU CA C 50.4 0.2 1 1409 230 134 LEU CB C 43.6 0.2 1 1410 230 134 LEU CG C 24.7 0.2 1 1411 230 134 LEU CD1 C 20.8 0.2 1 1412 230 134 LEU CD2 C 21.1 0.2 1 1413 230 134 LEU N N 123.0 0.2 1 1414 231 135 LEU H H 9.72 0.02 1 1415 231 135 LEU HA H 5.23 0.02 1 1416 231 135 LEU HB2 H 1.25 0.02 2 1417 231 135 LEU HB3 H 1.70 0.02 2 1418 231 135 LEU HG H 1.52 0.02 1 1419 231 135 LEU HD1 H 0.97 0.02 2 1420 231 135 LEU HD2 H 0.85 0.02 2 1421 231 135 LEU C C 173.1 0.2 1 1422 231 135 LEU CA C 49.6 0.2 1 1423 231 135 LEU CB C 40.9 0.2 1 1424 231 135 LEU CG C 24.8 0.2 1 1425 231 135 LEU CD1 C 19.9 0.2 1 1426 231 135 LEU CD2 C 21.3 0.2 1 1427 231 135 LEU N N 127.7 0.2 1 1428 232 136 ASN H H 8.01 0.02 1 1429 232 136 ASN HA H 3.70 0.02 1 1430 232 136 ASN HB2 H 2.85 0.02 1 1431 232 136 ASN HB3 H 2.85 0.02 1 1432 232 136 ASN HD21 H 7.16 0.02 2 1433 232 136 ASN HD22 H 8.07 0.02 2 1434 232 136 ASN CA C 46.9 0.2 1 1435 232 136 ASN CB C 33.9 0.2 1 1436 232 136 ASN CG C 177.5 0.2 1 1437 232 136 ASN N N 119.7 0.2 1 1438 232 136 ASN ND2 N 114.1 0.2 1 1439 233 137 PRO HA H 4.21 0.02 1 1440 233 137 PRO HB2 H 1.47 0.02 2 1441 233 137 PRO HB3 H 1.33 0.02 2 1442 233 137 PRO HG2 H 0.94 0.02 1 1443 233 137 PRO HG3 H 0.94 0.02 1 1444 233 137 PRO HD2 H 0.08 0.02 2 1445 233 137 PRO HD3 H 0.68 0.02 2 1446 233 137 PRO C C 174.1 0.2 1 1447 233 137 PRO CA C 61.1 0.2 1 1448 233 137 PRO CB C 28.6 0.2 1 1449 233 137 PRO CG C 24.2 0.2 1 1450 233 137 PRO CD C 47.2 0.2 1 1451 234 138 ASP H H 7.23 0.02 1 1452 234 138 ASP HA H 4.78 0.02 1 1453 234 138 ASP HB2 H 2.74 0.02 2 1454 234 138 ASP HB3 H 2.85 0.02 2 1455 234 138 ASP C C 173.8 0.2 1 1456 234 138 ASP CA C 51.2 0.2 1 1457 234 138 ASP CB C 38.3 0.2 1 1458 234 138 ASP N N 115.0 0.2 1 1459 235 139 GLY H H 8.69 0.02 1 1460 235 139 GLY HA2 H 3.46 0.02 2 1461 235 139 GLY HA3 H 4.11 0.02 2 1462 235 139 GLY C C 171.1 0.2 1 1463 235 139 GLY CA C 42.2 0.2 1 1464 235 139 GLY N N 109.4 0.2 1 1465 236 140 LEU H H 7.48 0.02 1 1466 236 140 LEU HA H 4.48 0.02 1 1467 236 140 LEU HB2 H 1.55 0.02 2 1468 236 140 LEU HB3 H 1.50 0.02 2 1469 236 140 LEU HG H 1.48 0.02 1 1470 236 140 LEU HD1 H 0.84 0.02 2 1471 236 140 LEU HD2 H 0.97 0.02 2 1472 236 140 LEU CA C 51.3 0.2 1 1473 236 140 LEU CB C 39.0 0.2 1 1474 236 140 LEU CG C 24.0 0.2 1 1475 236 140 LEU CD1 C 20.4 0.2 1 1476 236 140 LEU CD2 C 21.3 0.2 1 1477 236 140 LEU N N 121.5 0.2 1 1478 237 141 PHE HA H 4.66 0.02 1 1479 237 141 PHE HB2 H 2.89 0.02 2 1480 237 141 PHE HB3 H 3.00 0.02 2 1481 237 141 PHE HD1 H 7.09 0.02 1 1482 237 141 PHE HD2 H 7.09 0.02 1 1483 237 141 PHE C C 172.3 0.2 1 1484 237 141 PHE CA C 54.8 0.2 1 1485 237 141 PHE CB C 36.2 0.2 1 1486 238 142 THR H H 9.08 0.02 1 1487 238 142 THR HA H 4.18 0.02 1 1488 238 142 THR HB H 3.45 0.02 1 1489 238 142 THR HG2 H 0.68 0.02 1 1490 238 142 THR C C 168.9 0.2 1 1491 238 142 THR CA C 61.8 0.2 1 1492 238 142 THR CB C 68.1 0.2 1 1493 238 142 THR CG2 C 17.6 0.2 1 1494 238 142 THR N N 126.1 0.2 1 1495 239 143 ASP H H 7.55 0.02 1 1496 239 143 ASP HA H 4.48 0.02 1 1497 239 143 ASP HB2 H 2.34 0.02 2 1498 239 143 ASP HB3 H 2.15 0.02 2 1499 239 143 ASP C C 170.1 0.2 1 1500 239 143 ASP CA C 49.9 0.2 1 1501 239 143 ASP CB C 40.7 0.2 1 1502 239 143 ASP N N 119.0 0.2 1 1503 240 144 TYR H H 9.12 0.02 1 1504 240 144 TYR HA H 4.99 0.02 1 1505 240 144 TYR HB2 H 2.59 0.02 2 1506 240 144 TYR HB3 H 2.48 0.02 2 1507 240 144 TYR HD1 H 6.91 0.02 1 1508 240 144 TYR HD2 H 6.91 0.02 1 1509 240 144 TYR C C 170.0 0.2 1 1510 240 144 TYR CA C 53.3 0.2 1 1511 240 144 TYR CB C 39.1 0.2 1 1512 240 144 TYR N N 119.1 0.2 1 1513 241 145 TYR H H 9.04 0.02 1 1514 241 145 TYR HA H 4.70 0.02 1 1515 241 145 TYR HB2 H 2.66 0.02 2 1516 241 145 TYR HB3 H 3.14 0.02 2 1517 241 145 TYR HD1 H 6.88 0.02 1 1518 241 145 TYR HD2 H 6.88 0.02 1 1519 241 145 TYR HE1 H 6.81 0.02 1 1520 241 145 TYR HE2 H 6.81 0.02 1 1521 241 145 TYR C C 173.1 0.2 1 1522 241 145 TYR CA C 53.1 0.2 1 1523 241 145 TYR CB C 38.2 0.2 1 1524 241 145 TYR N N 122.5 0.2 1 1525 242 146 GLY H H 8.74 0.02 1 1526 242 146 GLY HA2 H 3.97 0.02 2 1527 242 146 GLY HA3 H 4.49 0.02 2 1528 242 146 GLY C C 173.7 0.2 1 1529 242 146 GLY CA C 41.2 0.2 1 1530 242 146 GLY N N 111.3 0.2 1 1531 243 147 ARG H H 8.45 0.02 1 1532 243 147 ARG HA H 4.13 0.02 1 1533 243 147 ARG C C 174.2 0.2 1 1534 243 147 ARG CA C 55.8 0.2 1 1535 243 147 ARG CB C 28.6 0.2 1 1536 243 147 ARG CG C 21.8 0.2 1 1537 243 147 ARG CD C 39.0 0.2 1 1538 243 147 ARG N N 119.0 0.2 1 1539 244 148 SER H H 8.17 0.02 1 1540 244 148 SER HA H 4.25 0.02 1 1541 244 148 SER C C 172.4 0.2 1 1542 244 148 SER CA C 56.2 0.2 1 1543 244 148 SER CB C 60.4 0.2 1 1544 244 148 SER N N 108.7 0.2 1 1545 245 149 ARG H H 7.67 0.02 1 1546 245 149 ARG HA H 4.43 0.02 1 1547 245 149 ARG HB2 H 1.92 0.02 2 1548 245 149 ARG HB3 H 1.88 0.02 2 1549 245 149 ARG HG2 H 2.39 0.02 2 1550 245 149 ARG HG3 H 2.35 0.02 2 1551 245 149 ARG HD2 H 3.24 0.02 2 1552 245 149 ARG HD3 H 3.19 0.02 2 1553 245 149 ARG C C 172.7 0.2 1 1554 245 149 ARG CA C 50.4 0.2 1 1555 245 149 ARG CB C 26.2 0.2 1 1556 245 149 ARG CG C 23.6 0.2 1 1557 245 149 ARG CD C 39.6 0.2 1 1558 245 149 ARG N N 121.3 0.2 1 1559 246 150 SER H H 8.57 0.02 1 1560 246 150 SER HA H 4.32 0.02 1 1561 246 150 SER HB2 H 4.02 0.02 2 1562 246 150 SER HB3 H 3.97 0.02 2 1563 246 150 SER C C 172.2 0.2 1 1564 246 150 SER CA C 53.5 0.2 1 1565 246 150 SER CB C 63.1 0.2 1 1566 246 150 SER N N 119.8 0.2 1 1567 247 151 ALA H H 9.25 0.02 1 1568 247 151 ALA HA H 3.67 0.02 1 1569 247 151 ALA HB H 1.33 0.02 1 1570 247 151 ALA C C 176.6 0.2 1 1571 247 151 ALA CA C 52.3 0.2 1 1572 247 151 ALA CB C 15.1 0.2 1 1573 247 151 ALA N N 122.0 0.2 1 1574 248 152 GLU H H 8.56 0.02 1 1575 248 152 GLU HA H 4.48 0.02 1 1576 248 152 GLU HB2 H 1.91 0.02 1 1577 248 152 GLU HB3 H 1.91 0.02 1 1578 248 152 GLU HG2 H 2.28 0.02 2 1579 248 152 GLU C C 176.3 0.2 1 1580 248 152 GLU CA C 57.1 0.2 1 1581 248 152 GLU CB C 26.2 0.2 1 1582 248 152 GLU CG C 34.0 0.2 1 1583 248 152 GLU N N 117.3 0.2 1 1584 249 153 GLN H H 7.56 0.02 1 1585 249 153 GLN HA H 4.01 0.02 1 1586 249 153 GLN HB2 H 2.43 0.02 1 1587 249 153 GLN HB3 H 2.43 0.02 1 1588 249 153 GLN HG2 H 2.19 0.02 1 1589 249 153 GLN HG3 H 2.19 0.02 1 1590 249 153 GLN C C 177.7 0.2 1 1591 249 153 GLN CA C 55.8 0.2 1 1592 249 153 GLN CB C 25.2 0.2 1 1593 249 153 GLN CG C 33.5 0.2 1 1594 249 153 GLN N N 119.0 0.2 1 1595 250 154 ILE H H 8.40 0.02 1 1596 250 154 ILE HA H 3.01 0.02 1 1597 250 154 ILE HB H 1.49 0.02 1 1598 250 154 ILE HG12 H 0.14 0.02 2 1599 250 154 ILE HG13 H 0.18 0.02 2 1600 250 154 ILE HG2 H 0.02 0.02 1 1601 250 154 ILE HD1 H 0.44 0.02 1 1602 250 154 ILE C C 174.7 0.2 1 1603 250 154 ILE CA C 62.6 0.2 1 1604 250 154 ILE CB C 33.8 0.2 1 1605 250 154 ILE CG1 C 24.6 0.2 1 1606 250 154 ILE CG2 C 13.7 0.2 1 1607 250 154 ILE CD1 C 11.1 0.2 1 1608 250 154 ILE N N 121.7 0.2 1 1609 251 155 SER H H 8.80 0.02 1 1610 251 155 SER HA H 3.75 0.02 1 1611 251 155 SER HB2 H 3.78 0.02 2 1612 251 155 SER HB3 H 3.67 0.02 2 1613 251 155 SER C C 173.2 0.2 1 1614 251 155 SER CA C 60.1 0.2 1 1615 251 155 SER CB C 59.6 0.2 1 1616 251 155 SER N N 116.2 0.2 1 1617 252 156 ASP H H 7.72 0.02 1 1618 252 156 ASP HA H 4.23 0.02 1 1619 252 156 ASP HB2 H 2.70 0.02 2 1620 252 156 ASP HB3 H 2.51 0.02 2 1621 252 156 ASP C C 175.1 0.2 1 1622 252 156 ASP CA C 54.3 0.2 1 1623 252 156 ASP CB C 38.2 0.2 1 1624 252 156 ASP N N 119.9 0.2 1 1625 253 157 SER H H 7.30 0.02 1 1626 253 157 SER HA H 4.71 0.02 1 1627 253 157 SER HB2 H 4.05 0.02 2 1628 253 157 SER HB3 H 4.11 0.02 2 1629 253 157 SER C C 174.3 0.2 1 1630 253 157 SER CA C 57.5 0.2 1 1631 253 157 SER CB C 59.8 0.2 1 1632 253 157 SER N N 112.6 0.2 1 1633 254 158 VAL H H 9.09 0.02 1 1634 254 158 VAL HA H 3.37 0.02 1 1635 254 158 VAL HB H 1.90 0.02 1 1636 254 158 VAL HG1 H 0.61 0.02 2 1637 254 158 VAL HG2 H 1.00 0.02 2 1638 254 158 VAL C C 175.0 0.2 1 1639 254 158 VAL CA C 64.7 0.2 1 1640 254 158 VAL CB C 28.3 0.2 1 1641 254 158 VAL CG1 C 18.5 0.2 1 1642 254 158 VAL CG2 C 21.0 0.2 1 1643 254 158 VAL N N 120.2 0.2 1 1644 255 159 ARG H H 8.27 0.02 1 1645 255 159 ARG HA H 3.81 0.02 1 1646 255 159 ARG HB2 H 1.74 0.02 1 1647 255 159 ARG HB3 H 1.74 0.02 1 1648 255 159 ARG HG2 H 1.46 0.02 2 1649 255 159 ARG HG3 H 1.69 0.02 2 1650 255 159 ARG HD2 H 3.11 0.02 1 1651 255 159 ARG HD3 H 3.11 0.02 1 1652 255 159 ARG C C 176.8 0.2 1 1653 255 159 ARG CA C 57.4 0.2 1 1654 255 159 ARG CB C 26.9 0.2 1 1655 255 159 ARG CG C 25.8 0.2 1 1656 255 159 ARG CD C 40.1 0.2 1 1657 255 159 ARG N N 118.0 0.2 1 1658 256 160 ARG H H 7.46 0.02 1 1659 256 160 ARG HA H 4.01 0.02 1 1660 256 160 ARG HB2 H 1.86 0.02 2 1661 256 160 ARG HB3 H 1.73 0.02 2 1662 256 160 ARG HG2 H 1.47 0.02 1 1663 256 160 ARG HG3 H 1.47 0.02 1 1664 256 160 ARG HD2 H 3.01 0.02 2 1665 256 160 ARG HD3 H 3.11 0.02 2 1666 256 160 ARG C C 177.5 0.2 1 1667 256 160 ARG CA C 56.5 0.2 1 1668 256 160 ARG CB C 26.7 0.2 1 1669 256 160 ARG CG C 24.9 0.2 1 1670 256 160 ARG CD C 40.5 0.2 1 1671 256 160 ARG N N 120.2 0.2 1 1672 257 161 HIS H H 8.27 0.02 1 1673 257 161 HIS HA H 4.57 0.02 1 1674 257 161 HIS HB2 H 2.93 0.02 2 1675 257 161 HIS HB3 H 3.01 0.02 2 1676 257 161 HIS HD2 H 6.58 0.02 1 1677 257 161 HIS HE1 H 7.72 0.02 1 1678 257 161 HIS C C 176.9 0.2 1 1679 257 161 HIS CA C 57.1 0.2 1 1680 257 161 HIS CB C 27.6 0.2 1 1681 257 161 HIS N N 121.2 0.2 1 1682 257 161 HIS ND1 N 244.4 0.2 1 1683 257 161 HIS NE2 N 168.1 0.2 1 1684 258 162 MET H H 8.66 0.02 1 1685 258 162 MET HA H 3.98 0.02 1 1686 258 162 MET HB2 H 1.72 0.02 2 1687 258 162 MET HB3 H 0.59 0.02 2 1688 258 162 MET HG2 H 1.02 0.02 2 1689 258 162 MET HG3 H 1.31 0.02 2 1690 258 162 MET HE H 0.86 0.02 1 1691 258 162 MET C C 176.2 0.2 1 1692 258 162 MET CA C 57.0 0.2 1 1693 258 162 MET CB C 29.0 0.2 1 1694 258 162 MET CG C 33.9 0.2 1 1695 258 162 MET N N 119.7 0.2 1 1696 259 163 ALA H H 7.70 0.02 1 1697 259 163 ALA HA H 4.21 0.02 1 1698 259 163 ALA HB H 1.51 0.02 1 1699 259 163 ALA C C 176.2 0.2 1 1700 259 163 ALA CA C 51.3 0.2 1 1701 259 163 ALA CB C 15.2 0.2 1 1702 259 163 ALA N N 120.4 0.2 1 1703 260 164 ALA H H 7.56 0.02 1 1704 260 164 ALA HA H 4.39 0.02 1 1705 260 164 ALA HB H 1.57 0.02 1 1706 260 164 ALA C C 175.4 0.2 1 1707 260 164 ALA CA C 49.7 0.2 1 1708 260 164 ALA CB C 16.4 0.2 1 1709 260 164 ALA N N 119.1 0.2 1 1710 261 165 PHE H H 7.64 0.02 1 1711 261 165 PHE HA H 4.55 0.02 1 1712 261 165 PHE HB2 H 3.45 0.02 2 1713 261 165 PHE HB3 H 3.81 0.02 2 1714 261 165 PHE HD1 H 7.43 0.02 1 1715 261 165 PHE HD2 H 7.43 0.02 1 1716 261 165 PHE HE1 H 7.14 0.02 1 1717 261 165 PHE HE2 H 7.14 0.02 1 1718 261 165 PHE C C 172.6 0.2 1 1719 261 165 PHE CA C 56.8 0.2 1 1720 261 165 PHE CB C 38.1 0.2 1 1721 261 165 PHE N N 120.1 0.2 1 1722 262 166 ARG H H 7.62 0.02 1 1723 262 166 ARG HA H 4.07 0.02 1 1724 262 166 ARG HB2 H 1.69 0.02 2 1725 262 166 ARG HB3 H 1.65 0.02 2 1726 262 166 ARG HG2 H 1.51 0.02 1 1727 262 166 ARG HG3 H 1.51 0.02 1 1728 262 166 ARG HD2 H 3.20 0.02 2 1729 262 166 ARG HD3 H 3.16 0.02 2 1730 262 166 ARG C C 172.0 0.2 1 1731 262 166 ARG CA C 52.1 0.2 1 1732 262 166 ARG CB C 28.4 0.2 1 1733 262 166 ARG CG C 23.8 0.2 1 1734 262 166 ARG CD C 40.3 0.2 1 1735 262 166 ARG N N 125.7 0.2 1 1736 263 167 SER H H 8.00 0.02 1 1737 263 167 SER HA H 4.49 0.02 1 1738 263 167 SER HB2 H 3.73 0.02 2 1739 263 167 SER HB3 H 3.93 0.02 2 1740 263 167 SER C C 173.2 0.2 1 1741 263 167 SER CA C 54.9 0.2 1 1742 263 167 SER CB C 60.6 0.2 1 1743 263 167 SER N N 117.3 0.2 1 1744 264 168 VAL H H 8.72 0.02 1 1745 264 168 VAL HA H 4.28 0.02 1 1746 264 168 VAL HB H 2.24 0.02 1 1747 264 168 VAL HG1 H 0.92 0.02 2 1748 264 168 VAL HG2 H 0.88 0.02 2 1749 264 168 VAL C C 173.6 0.2 1 1750 264 168 VAL CA C 58.9 0.2 1 1751 264 168 VAL CB C 29.1 0.2 1 1752 264 168 VAL CG1 C 17.6 0.2 1 1753 264 168 VAL CG2 C 15.9 0.2 1 1754 264 168 VAL N N 122.6 0.2 1 1755 265 169 LEU H H 8.20 0.02 1 1756 265 169 LEU HA H 4.43 0.02 1 1757 265 169 LEU HB2 H 1.57 0.02 1 1758 265 169 LEU HB3 H 1.57 0.02 1 1759 265 169 LEU HG H 1.54 0.02 1 1760 265 169 LEU HD1 H 0.80 0.02 2 1761 265 169 LEU HD2 H 0.88 0.02 2 1762 265 169 LEU C C 173.8 0.2 1 1763 265 169 LEU CA C 52.0 0.2 1 1764 265 169 LEU CB C 39.3 0.2 1 1765 265 169 LEU CG C 23.9 0.2 1 1766 265 169 LEU CD1 C 20.0 0.2 1 1767 265 169 LEU CD2 C 22.1 0.2 1 1768 265 169 LEU N N 124.9 0.2 1 1769 266 170 SER H H 7.73 0.02 1 1770 266 170 SER HA H 4.23 0.02 1 1771 266 170 SER HB2 H 3.80 0.02 1 1772 266 170 SER HB3 H 3.80 0.02 1 1773 266 170 SER CA C 57.1 0.2 1 1774 266 170 SER CB C 62.1 0.2 1 1775 266 170 SER N N 121.9 0.2 1 stop_ save_