data_4564 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR Structure of the Bovine Prion Protein ; _BMRB_accession_number 4564 _BMRB_flat_file_name bmr4564.str _Entry_type original _Submission_date 1999-12-15 _Accession_date 1999-12-15 _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 'Lopez Garcia' Francisco . . 2 Zahn Ralph . . 3 Riek Roland . . 4 Billeter Martin . . 5 Wuthrich Kurt . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 1073 "13C chemical shifts" 483 "15N chemical shifts" 226 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2000-05-24 original author . stop_ _Original_release_date 2000-05-24 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'NMR Structure of the Bovine Prion Protein' _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 'Lopez Garcia' Francisco . . 2 Zahn Ralph . . 3 Riek Roland . . 4 Billeter Martin . . 5 Wuthrich Kurt . . stop_ _Journal_abbreviation 'Proc. Natl. Acad. Sci. U.S.A.' _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_system_bPrP(23-230) _Saveframe_category molecular_system _Mol_system_name 'Bovine prion protein fragment 23-230' _Abbreviation_common bPrP(23-230) _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label bPrP(23-230) $bPrP(23-230) stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'not reported' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_bPrP(23-230) _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'bovine prion protein' _Abbreviation_common bPrP _Molecular_mass 13137 _Mol_thiol_state 'not reported' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 264 _Mol_residue_sequence ; MVKSHIGSWILVLFVAMWSD VGLSKKRPKPGGGWNTGGSR YPGQGSPGGNRYPPQGGGGW GQPHGGGWGQPHGGGWGQPH GGGWGQPHGGGWGQPHGGGG WGQGGTHGQWNKPSKPKTNM KHVAGAAAAGAVVGGLGGYM LGSAMSRPLIHFGSDYEDRY YRENMHRYPNQVYYRPVDQY SNQNNFVHDCVNITVKEHTV TTTTKGENFTETDIKMMERV VEQMCITQYQRESQAYYQRG ASVILFSSPPVILLISFLIF LIVG ; loop_ _Residue_seq_code _Residue_label 1 MET 2 VAL 3 LYS 4 SER 5 HIS 6 ILE 7 GLY 8 SER 9 TRP 10 ILE 11 LEU 12 VAL 13 LEU 14 PHE 15 VAL 16 ALA 17 MET 18 TRP 19 SER 20 ASP 21 VAL 22 GLY 23 LEU 24 SER 25 LYS 26 LYS 27 ARG 28 PRO 29 LYS 30 PRO 31 GLY 32 GLY 33 GLY 34 TRP 35 ASN 36 THR 37 GLY 38 GLY 39 SER 40 ARG 41 TYR 42 PRO 43 GLY 44 GLN 45 GLY 46 SER 47 PRO 48 GLY 49 GLY 50 ASN 51 ARG 52 TYR 53 PRO 54 PRO 55 GLN 56 GLY 57 GLY 58 GLY 59 GLY 60 TRP 61 GLY 62 GLN 63 PRO 64 HIS 65 GLY 66 GLY 67 GLY 68 TRP 69 GLY 70 GLN 71 PRO 72 HIS 73 GLY 74 GLY 75 GLY 76 TRP 77 GLY 78 GLN 79 PRO 80 HIS 81 GLY 82 GLY 83 GLY 84 TRP 85 GLY 86 GLN 87 PRO 88 HIS 89 GLY 90 GLY 91 GLY 92 TRP 93 GLY 94 GLN 95 PRO 96 HIS 97 GLY 98 GLY 99 GLY 100 GLY 101 TRP 102 GLY 103 GLN 104 GLY 105 GLY 106 THR 107 HIS 108 GLY 109 GLN 110 TRP 111 ASN 112 LYS 113 PRO 114 SER 115 LYS 116 PRO 117 LYS 118 THR 119 ASN 120 MET 121 LYS 122 HIS 123 VAL 124 ALA 125 GLY 126 ALA 127 ALA 128 ALA 129 ALA 130 GLY 131 ALA 132 VAL 133 VAL 134 GLY 135 GLY 136 LEU 137 GLY 138 GLY 139 TYR 140 MET 141 LEU 142 GLY 143 SER 144 ALA 145 MET 146 SER 147 ARG 148 PRO 149 LEU 150 ILE 151 HIS 152 PHE 153 GLY 154 SER 155 ASP 156 TYR 157 GLU 158 ASP 159 ARG 160 TYR 161 TYR 162 ARG 163 GLU 164 ASN 165 MET 166 HIS 167 ARG 168 TYR 169 PRO 170 ASN 171 GLN 172 VAL 173 TYR 174 TYR 175 ARG 176 PRO 177 VAL 178 ASP 179 GLN 180 TYR 181 SER 182 ASN 183 GLN 184 ASN 185 ASN 186 PHE 187 VAL 188 HIS 189 ASP 190 CYS 191 VAL 192 ASN 193 ILE 194 THR 195 VAL 196 LYS 197 GLU 198 HIS 199 THR 200 VAL 201 THR 202 THR 203 THR 204 THR 205 LYS 206 GLY 207 GLU 208 ASN 209 PHE 210 THR 211 GLU 212 THR 213 ASP 214 ILE 215 LYS 216 MET 217 MET 218 GLU 219 ARG 220 VAL 221 VAL 222 GLU 223 GLN 224 MET 225 CYS 226 ILE 227 THR 228 GLN 229 TYR 230 GLN 231 ARG 232 GLU 233 SER 234 GLN 235 ALA 236 TYR 237 TYR 238 GLN 239 ARG 240 GLY 241 ALA 242 SER 243 VAL 244 ILE 245 LEU 246 PHE 247 SER 248 SER 249 PRO 250 PRO 251 VAL 252 ILE 253 LEU 254 LEU 255 ILE 256 SER 257 PHE 258 LEU 259 ILE 260 PHE 261 LEU 262 ILE 263 VAL 264 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-10-13 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 1DX0 "Bovine Prion Protein Residues 23-230" 82.58 219 100.00 100.00 1.31e-153 PDB 1DX1 "Bovine Prion Protein Residues 23-230" 82.58 219 100.00 100.00 1.31e-153 DBJ BAA01467 "prion protein [Bos taurus]" 100.00 264 99.24 99.62 0.00e+00 DBJ BAA01468 "prion protein [Bos primigenius]" 100.00 264 99.62 99.62 0.00e+00 DBJ BAA19253 "prion protein [Bos taurus]" 100.00 264 99.24 99.62 0.00e+00 DBJ BAE78583 "prion protein [Bos taurus]" 100.00 264 99.62 99.62 0.00e+00 DBJ BAE78586 "prion protein [Bos taurus]" 100.00 264 99.62 99.62 0.00e+00 EMBL CAA39368 "prion protein [Bos taurus]" 100.00 264 99.62 99.62 0.00e+00 EMBL CAA52781 "prion protein [Tragelaphus strepsiceros]" 100.00 264 97.73 98.86 0.00e+00 EMBL CAC37367 "prion protein [Bos taurus]" 100.00 264 99.62 99.62 0.00e+00 GB AAB25514 "prion protein [Bos taurus]" 100.00 264 99.62 99.62 0.00e+00 GB AAC43030 "prion protein [Antilocapra americana]" 79.92 211 97.16 98.58 5.30e-144 GB AAD13290 "prion protein [Giraffa camelopardalis]" 89.02 235 97.02 99.15 8.61e-163 GB AAD19984 "prion protein [Gazella subgutturosa]" 85.61 226 98.23 99.56 2.17e-157 GB AAD19998 "prion protein [Bos taurus]" 81.82 216 99.07 99.54 3.07e-151 REF NP_001258555 "major prion protein preproprotein [Bos taurus]" 100.00 264 99.62 99.62 0.00e+00 REF NP_001291815 "major prion protein precursor [Ailuropoda melanoleuca]" 100.00 264 99.24 99.24 0.00e+00 REF NP_851358 "major prion protein precursor [Bos taurus]" 100.00 264 99.62 99.62 0.00e+00 REF XP_005906596 "PREDICTED: major prion protein [Bos mutus]" 100.00 264 99.62 99.62 0.00e+00 REF XP_006039785 "PREDICTED: major prion protein-like [Bubalus bubalis]" 100.00 264 97.35 98.11 0.00e+00 SP B5SY89 "RecName: Full=Major prion protein; Short=PrP; AltName: Full=Major scrapie-associated fibril protein 1; AltName: CD_antigen=CD23" 100.00 264 99.62 99.62 0.00e+00 SP P10279 "RecName: Full=Major prion protein; Short=PrP; AltName: Full=Major scrapie-associated fibril protein 1; AltName: CD_antigen=CD23" 100.00 264 99.62 99.62 0.00e+00 SP P40242 "RecName: Full=Major prion protein 1; Short=PrP; AltName: Full=Major scrapie-associated fibril protein 1; AltName: CD_antigen=CD" 100.00 264 97.73 98.86 0.00e+00 SP Q5UAF1 "RecName: Full=Major prion protein; Short=PrP; AltName: CD_antigen=CD230; Flags: Precursor" 100.00 264 99.62 99.62 0.00e+00 SP Q5UJG1 "RecName: Full=Major prion protein; Short=PrP; AltName: CD_antigen=CD230; Flags: Precursor" 100.00 264 98.11 99.24 0.00e+00 TPG DAA23426 "TPA: major prion protein precursor [Bos taurus]" 100.00 264 99.62 99.62 0.00e+00 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $bPrP(23-230) bovine 9913 Eukaryota Metazoa Bos taurus 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 $bPrP(23-230) 'recombinant technology' . . . . . 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 $bPrP(23-230) 1.0 mM . stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $bPrP(23-230) 1.0 mM [U-15N] stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $bPrP(23-230) 1.0 mM '[U-15N; U-13C]' stop_ save_ ############################ # Computer software used # ############################ save_PROSA _Saveframe_category software _Name PROSA _Version . _Details . save_ save_XEASY _Saveframe_category software _Name XEASY _Version . _Details . save_ save_DYANA _Saveframe_category software _Name DYANA _Version . _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_one _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 600 _Details . save_ save_NMR_spectrometer_two _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 750 _Details . save_ ############################# # NMR applied experiments # ############################# save_1H-1H-15N_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-1H-15N NOESY' _Sample_label . save_ save_1H-1H-13C_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-1H-13C NOESY' _Sample_label . save_ save_HCCH_COSY_3 _Saveframe_category NMR_applied_experiment _Experiment_name 'HCCH COSY' _Sample_label . save_ save_HCCH_TOCSY_4 _Saveframe_category NMR_applied_experiment _Experiment_name 'HCCH TOCSY' _Sample_label . save_ save_HNCA_5 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _Sample_label . save_ save_HNCACB_6 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _Sample_label . save_ save_HN(COCA)NNH_7 _Saveframe_category NMR_applied_experiment _Experiment_name HN(COCA)NNH _Sample_label . save_ save_ct-HNCA_8 _Saveframe_category NMR_applied_experiment _Experiment_name ct-HNCA _Sample_label . save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-1H-15N NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-1H-13C NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_3 _Saveframe_category NMR_applied_experiment _Experiment_name 'HCCH COSY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_4 _Saveframe_category NMR_applied_experiment _Experiment_name 'HCCH TOCSY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_5 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_6 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_7 _Saveframe_category NMR_applied_experiment _Experiment_name HN(COCA)NNH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_8 _Saveframe_category NMR_applied_experiment _Experiment_name ct-HNCA _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_sample_conditions _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 4.5 0.1 n/a temperature 293 1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 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_assigned_chemical_shifts _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name bPrP(23-230) _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 . 24 SER N N 115.6 . 1 2 . 24 SER H H 8.68 . 1 3 . 24 SER CA C 58.1 . 1 4 . 24 SER HA H 4.51 . 1 5 . 24 SER CB C 63.8 . 1 6 . 24 SER HB2 H 3.86 . 1 7 . 24 SER HB3 H 3.86 . 1 8 . 25 LYS N N 123.7 . 1 9 . 25 LYS H H 8.55 . 1 10 . 25 LYS CA C 56.2 . 1 11 . 25 LYS HA H 4.34 . 1 12 . 25 LYS CB C 32.8 . 1 13 . 25 LYS HB2 H 1.75 . 2 14 . 25 LYS HB3 H 1.85 . 2 15 . 25 LYS CG C 55.2 . 1 16 . 25 LYS HG2 H 1.45 . 1 17 . 25 LYS HG3 H 1.45 . 1 18 . 25 LYS CD C 28.8 . 1 19 . 25 LYS HD2 H 1.70 . 1 20 . 25 LYS HD3 H 1.70 . 1 21 . 25 LYS CE C 41.6 . 1 22 . 25 LYS HE2 H 2.97 . 1 23 . 25 LYS HE3 H 2.97 . 1 24 . 26 LYS N N 123.3 . 1 25 . 26 LYS H H 8.41 . 1 26 . 26 LYS CA C 56.0 . 1 27 . 26 LYS HA H 4.31 . 1 28 . 26 LYS CB C 33.0 . 1 29 . 26 LYS HB2 H 1.70 . 2 30 . 26 LYS HB3 H 1.78 . 2 31 . 26 LYS CG C 55.0 . 1 32 . 26 LYS HG2 H 1.37 . 2 33 . 26 LYS HG3 H 1.44 . 2 34 . 26 LYS CD C 29.0 . 1 35 . 26 LYS HD2 H 1.67 . 1 36 . 26 LYS HD3 H 1.67 . 1 37 . 26 LYS CE C 41.9 . 1 38 . 26 LYS HE2 H 2.97 . 1 39 . 26 LYS HE3 H 2.97 . 1 40 . 27 ARG N N 124.4 . 1 41 . 27 ARG H H 8.51 . 1 42 . 27 ARG CA C 53.7 . 1 43 . 27 ARG HA H 4.58 . 1 44 . 27 ARG CB C 30.1 . 1 45 . 27 ARG HB2 H 1.72 . 2 46 . 27 ARG HB3 H 1.83 . 2 47 . 27 ARG CG C 26.9 . 1 48 . 27 ARG HG2 H 1.65 . 1 49 . 27 ARG HG3 H 1.65 . 1 50 . 27 ARG CD C 43.1 . 1 51 . 27 ARG HD2 H 3.21 . 1 52 . 27 ARG HD3 H 3.21 . 1 53 . 27 ARG NE N 124.7 . 1 54 . 27 ARG HE H 7.21 . 1 55 . 28 PRO CD C 50.7 . 1 56 . 28 PRO CA C 63.3 . 1 57 . 28 PRO HA H 4.38 . 1 58 . 28 PRO CB C 32.1 . 1 59 . 28 PRO HB2 H 1.88 . 2 60 . 28 PRO HB3 H 2.24 . 2 61 . 28 PRO CG C 27.3 . 1 62 . 28 PRO HG2 H 1.99 . 1 63 . 28 PRO HG3 H 1.99 . 1 64 . 28 PRO HD2 H 3.58 . 2 65 . 28 PRO HD3 H 3.78 . 2 66 . 29 LYS N N 123.0 . 1 67 . 29 LYS H H 8.43 . 1 68 . 29 LYS CA C 54.1 . 1 69 . 29 LYS HA H 4.50 . 1 70 . 29 LYS CB C 32.6 . 1 71 . 29 LYS HB2 H 1.66 . 2 72 . 29 LYS HB3 H 1.75 . 2 73 . 29 LYS CG C 24.2 . 1 74 . 29 LYS HG2 H 1.43 . 1 75 . 29 LYS HG3 H 1.43 . 1 76 . 29 LYS CD C 28.8 . 1 77 . 29 LYS HD2 H 1.64 . 1 78 . 29 LYS HD3 H 1.64 . 1 79 . 29 LYS CE C 41.9 . 1 80 . 29 LYS HE2 H 2.98 . 1 81 . 29 LYS HE3 H 2.98 . 1 82 . 31 GLY N N 109.8 . 1 83 . 31 GLY H H 8.54 . 1 84 . 31 GLY CA C 45.1 . 1 85 . 31 GLY HA2 H 3.96 . 1 86 . 31 GLY HA3 H 3.96 . 1 87 . 32 GLY N N 108.6 . 1 88 . 32 GLY H H 8.26 . 1 89 . 33 GLY N N 108.5 . 1 90 . 33 GLY H H 8.29 . 1 91 . 33 GLY CA C 45.0 . 1 92 . 33 GLY HA2 H 3.83 . 1 93 . 33 GLY HA3 H 3.83 . 1 94 . 34 TRP N N 120.6 . 1 95 . 34 TRP H H 8.05 . 1 96 . 34 TRP CA C 57.2 . 1 97 . 34 TRP HA H 4.62 . 1 98 . 34 TRP CB C 29.3 . 1 99 . 34 TRP HB2 H 3.19 . 2 100 . 34 TRP HB3 H 3.26 . 2 101 . 35 ASN N N 120.5 . 1 102 . 35 ASN H H 8.35 . 1 103 . 35 ASN CA C 52.9 . 1 104 . 35 ASN HA H 4.65 . 1 105 . 35 ASN CB C 38.3 . 1 106 . 35 ASN HB2 H 2.49 . 2 107 . 35 ASN HB3 H 2.64 . 2 108 . 36 THR N N 113.7 . 1 109 . 36 THR H H 8.07 . 1 110 . 36 THR CA C 61.7 . 1 111 . 36 THR HA H 4.26 . 1 112 . 36 THR HG2 H 1.13 . 1 113 . 37 GLY N N 111.0 . 1 114 . 37 GLY H H 8.44 . 1 115 . 37 GLY CA C 45.3 . 1 116 . 37 GLY HA2 H 3.97 . 1 117 . 37 GLY HA3 H 3.97 . 1 118 . 38 GLY N N 108.8 . 1 119 . 38 GLY H H 8.25 . 1 120 . 38 GLY CA C 44.9 . 1 121 . 38 GLY HA2 H 3.95 . 1 122 . 38 GLY HA3 H 3.95 . 1 123 . 39 SER N N 115.7 . 1 124 . 39 SER H H 8.23 . 1 125 . 39 SER CA C 58.1 . 1 126 . 39 SER HA H 4.39 . 1 127 . 39 SER CB C 63.6 . 1 128 . 39 SER HB2 H 3.79 . 1 129 . 39 SER HB3 H 3.79 . 1 130 . 40 ARG N N 122.6 . 1 131 . 40 ARG H H 8.31 . 1 132 . 40 ARG CA C 55.9 . 1 133 . 40 ARG HA H 4.27 . 1 134 . 40 ARG CB C 30.7 . 1 135 . 40 ARG HB2 H 1.58 . 2 136 . 40 ARG HB3 H 1.65 . 2 137 . 40 ARG CG C 26.9 . 1 138 . 40 ARG HG2 H 1.36 . 2 139 . 40 ARG HG3 H 1.44 . 2 140 . 40 ARG CD C 43.1 . 1 141 . 40 ARG HD2 H 3.08 . 1 142 . 40 ARG HD3 H 3.08 . 1 143 . 40 ARG NE N 124.7 . 1 144 . 40 ARG HE H 7.12 . 1 145 . 41 TYR N N 121.5 . 1 146 . 41 TYR H H 8.14 . 1 147 . 41 TYR CA C 55.4 . 1 148 . 41 TYR HA H 4.81 . 1 149 . 41 TYR CB C 38.1 . 1 150 . 41 TYR HB2 H 2.79 . 2 151 . 41 TYR HB3 H 2.99 . 2 152 . 42 PRO CA C 63.3 . 1 153 . 42 PRO HA H 4.37 . 1 154 . 43 GLY N N 109.1 . 1 155 . 43 GLY H H 8.19 . 1 156 . 43 GLY CA C 45.2 . 1 157 . 43 GLY HA2 H 3.88 . 2 158 . 43 GLY HA3 H 3.95 . 2 159 . 44 GLN N N 119.7 . 1 160 . 44 GLN H H 8.17 . 1 161 . 44 GLN CA C 55.9 . 1 162 . 44 GLN HA H 4.29 . 1 163 . 44 GLN CB C 29.3 . 1 164 . 44 GLN HB2 H 1.89 . 2 165 . 44 GLN HB3 H 2.09 . 2 166 . 44 GLN HG2 H 2.26 . 1 167 . 44 GLN HG3 H 2.26 . 1 168 . 45 GLY N N 110.4 . 1 169 . 45 GLY H H 8.53 . 1 170 . 45 GLY CA C 44.9 . 1 171 . 45 GLY HA2 H 3.95 . 1 172 . 45 GLY HA3 H 3.95 . 1 173 . 46 SER N N 116.6 . 1 174 . 46 SER H H 8.22 . 1 175 . 46 SER CA C 56.2 . 1 176 . 46 SER HA H 4.72 . 1 177 . 46 SER CB C 63.0 . 1 178 . 46 SER HB2 H 3.82 . 1 179 . 46 SER HB3 H 3.82 . 1 180 . 47 PRO CA C 63.5 . 1 181 . 47 PRO HA H 4.38 . 1 182 . 48 GLY N N 109.4 . 1 183 . 48 GLY H H 8.46 . 1 184 . 48 GLY CA C 45.1 . 1 185 . 48 GLY HA2 H 3.93 . 1 186 . 48 GLY HA3 H 3.93 . 1 187 . 49 GLY N N 108.4 . 1 188 . 49 GLY H H 8.21 . 1 189 . 49 GLY CA C 45.0 . 1 190 . 49 GLY HA2 H 3.92 . 1 191 . 49 GLY HA3 H 3.92 . 1 192 . 50 ASN N N 118.5 . 1 193 . 50 ASN H H 8.35 . 1 194 . 50 ASN CA C 53.0 . 1 195 . 50 ASN HA H 4.62 . 1 196 . 50 ASN CB C 38.6 . 1 197 . 50 ASN HB2 H 2.65 . 1 198 . 50 ASN HB3 H 2.65 . 1 199 . 51 ARG N N 121.3 . 1 200 . 51 ARG H H 8.23 . 1 201 . 51 ARG CA C 56.0 . 1 202 . 51 ARG HA H 4.21 . 1 203 . 51 ARG CB C 30.7 . 1 204 . 51 ARG HB2 H 1.62 . 1 205 . 51 ARG HB3 H 1.62 . 1 206 . 51 ARG CG C 26.9 . 1 207 . 51 ARG HG2 H 1.38 . 2 208 . 51 ARG HG3 H 1.43 . 2 209 . 51 ARG CD C 43.1 . 1 210 . 51 ARG HD2 H 3.05 . 1 211 . 51 ARG HD3 H 3.05 . 1 212 . 51 ARG NE N 124.6 . 1 213 . 51 ARG HE H 7.09 . 1 214 . 52 TYR N N 121.3 . 1 215 . 52 TYR H H 8.13 . 1 216 . 52 TYR CB C 38.1 . 1 217 . 52 TYR HB2 H 2.73 . 2 218 . 52 TYR HB3 H 3.01 . 2 219 . 55 GLN N N 120.3 . 1 220 . 55 GLN H H 8.53 . 1 221 . 55 GLN CA C 55.8 . 1 222 . 55 GLN HA H 4.25 . 1 223 . 55 GLN CB C 29.4 . 1 224 . 55 GLN HB2 H 1.94 . 2 225 . 55 GLN HB3 H 2.04 . 2 226 . 55 GLN HG2 H 2.34 . 1 227 . 55 GLN HG3 H 2.34 . 1 228 . 56 GLY N N 110.0 . 1 229 . 56 GLY H H 8.42 . 1 230 . 56 GLY CA C 45.1 . 1 231 . 56 GLY HA2 H 3.94 . 1 232 . 56 GLY HA3 H 3.94 . 1 233 . 57 GLY N N 108.4 . 1 234 . 57 GLY H H 8.29 . 1 235 . 58 GLY N N 108.5 . 1 236 . 58 GLY H H 8.29 . 1 237 . 59 GLY N N 108.8 . 1 238 . 59 GLY H H 8.26 . 1 239 . 59 GLY CA C 45.1 . 1 240 . 59 GLY HA2 H 3.82 . 1 241 . 59 GLY HA3 H 3.82 . 1 242 . 60 TRP N N 121.0 . 1 243 . 60 TRP H H 8.04 . 1 244 . 60 TRP CA C 57.4 . 1 245 . 60 TRP HA H 4.54 . 1 246 . 60 TRP CB C 29.5 . 1 247 . 60 TRP HB2 H 3.14 . 2 248 . 60 TRP HB3 H 3.23 . 2 249 . 61 GLY N N 110.5 . 1 250 . 61 GLY H H 8.28 . 1 251 . 62 GLN N N 120.3 . 1 252 . 62 GLN H H 8.00 . 1 253 . 62 GLN CA C 53.4 . 1 254 . 62 GLN HA H 4.50 . 1 255 . 62 GLN CB C 28.7 . 1 256 . 62 GLN HB2 H 1.82 . 2 257 . 62 GLN HB3 H 2.00 . 2 258 . 62 GLN CG C 33.3 . 1 259 . 62 GLN HG2 H 2.27 . 1 260 . 62 GLN HG3 H 2.27 . 1 261 . 64 HIS N N 118.2 . 1 262 . 64 HIS H H 8.54 . 1 263 . 64 HIS CA C 55.0 . 1 264 . 64 HIS HA H 4.62 . 1 265 . 64 HIS CB C 28.8 . 1 266 . 64 HIS HB2 H 3.10 . 2 267 . 64 HIS HB3 H 3.17 . 2 268 . 65 GLY N N 110.0 . 1 269 . 65 GLY H H 8.42 . 1 270 . 65 GLY CA C 45.0 . 1 271 . 65 GLY HA2 H 3.96 . 1 272 . 65 GLY HA3 H 3.96 . 1 273 . 66 GLY N N 108.5 . 1 274 . 66 GLY H H 8.28 . 1 275 . 67 GLY N N 108.8 . 1 276 . 67 GLY H H 8.27 . 1 277 . 67 GLY CA C 45.1 . 1 278 . 67 GLY HA2 H 3.82 . 1 279 . 67 GLY HA3 H 3.82 . 1 280 . 68 TRP N N 121.0 . 1 281 . 68 TRP H H 8.04 . 1 282 . 68 TRP CA C 57.4 . 1 283 . 68 TRP HA H 4.54 . 1 284 . 68 TRP CB C 29.5 . 1 285 . 68 TRP HB2 H 3.14 . 2 286 . 68 TRP HB3 H 3.23 . 2 287 . 69 GLY N N 111.0 . 1 288 . 69 GLY H H 8.28 . 1 289 . 69 GLY HA2 H 3.71 . 2 290 . 69 GLY HA3 H 3.77 . 2 291 . 70 GLN N N 120.2 . 1 292 . 70 GLN H H 8.00 . 1 293 . 70 GLN HA H 4.49 . 1 294 . 70 GLN HB2 H 1.80 . 2 295 . 70 GLN HB3 H 1.98 . 2 296 . 70 GLN HG2 H 2.25 . 1 297 . 70 GLN HG3 H 2.25 . 1 298 . 72 HIS N N 118.2 . 1 299 . 72 HIS H H 8.55 . 1 300 . 72 HIS CA C 55.0 . 1 301 . 72 HIS HA H 4.62 . 1 302 . 72 HIS CB C 28.8 . 1 303 . 72 HIS HB2 H 3.10 . 2 304 . 72 HIS HB3 H 3.17 . 2 305 . 73 GLY N N 110.0 . 1 306 . 73 GLY H H 8.42 . 1 307 . 73 GLY HA2 H 3.96 . 1 308 . 73 GLY HA3 H 3.96 . 1 309 . 74 GLY N N 108.5 . 1 310 . 74 GLY H H 8.30 . 1 311 . 75 GLY N N 108.8 . 1 312 . 75 GLY H H 8.28 . 1 313 . 75 GLY HA2 H 3.82 . 1 314 . 75 GLY HA3 H 3.82 . 1 315 . 76 TRP N N 121.0 . 1 316 . 76 TRP H H 8.04 . 1 317 . 76 TRP CA C 57.4 . 1 318 . 76 TRP HA H 4.54 . 1 319 . 76 TRP CB C 29.5 . 1 320 . 76 TRP HB2 H 3.14 . 2 321 . 76 TRP HB3 H 3.23 . 2 322 . 77 GLY N N 110.7 . 1 323 . 77 GLY H H 8.28 . 1 324 . 77 GLY HA2 H 3.71 . 2 325 . 77 GLY HA3 H 3.77 . 2 326 . 78 GLN N N 120.0 . 1 327 . 78 GLN H H 8.00 . 1 328 . 78 GLN HA H 4.49 . 1 329 . 78 GLN HB2 H 1.80 . 2 330 . 78 GLN HB3 H 1.98 . 2 331 . 80 HIS N N 118.2 . 1 332 . 80 HIS H H 8.54 . 1 333 . 80 HIS CA C 55.0 . 1 334 . 80 HIS HA H 4.62 . 1 335 . 80 HIS CB C 28.8 . 1 336 . 80 HIS HB2 H 3.10 . 2 337 . 80 HIS HB3 H 3.17 . 2 338 . 81 GLY N N 110.0 . 1 339 . 81 GLY H H 8.41 . 1 340 . 81 GLY CA C 45.0 . 1 341 . 82 GLY N N 108.5 . 1 342 . 82 GLY H H 8.29 . 1 343 . 83 GLY N N 108.8 . 1 344 . 83 GLY H H 8.26 . 1 345 . 83 GLY CA C 45.1 . 1 346 . 83 GLY HA2 H 3.82 . 1 347 . 83 GLY HA3 H 3.82 . 1 348 . 84 TRP N N 121.0 . 1 349 . 84 TRP H H 8.05 . 1 350 . 84 TRP CA C 57.4 . 1 351 . 84 TRP HA H 4.54 . 1 352 . 84 TRP CB C 29.5 . 1 353 . 84 TRP HB2 H 3.14 . 2 354 . 84 TRP HB3 H 3.23 . 2 355 . 85 GLY N N 111.0 . 1 356 . 85 GLY H H 8.26 . 1 357 . 85 GLY HA2 H 3.71 . 2 358 . 85 GLY HA3 H 3.77 . 2 359 . 86 GLN N N 120.0 . 1 360 . 86 GLN H H 7.99 . 1 361 . 86 GLN HA H 4.49 . 1 362 . 86 GLN HB2 H 1.80 . 2 363 . 86 GLN HB3 H 1.98 . 2 364 . 88 HIS N N 118.2 . 1 365 . 88 HIS H H 8.51 . 1 366 . 88 HIS CA C 55.0 . 1 367 . 88 HIS HA H 4.62 . 1 368 . 88 HIS CB C 28.8 . 1 369 . 88 HIS HB2 H 3.10 . 2 370 . 88 HIS HB3 H 3.17 . 2 371 . 89 GLY N N 110.0 . 1 372 . 89 GLY H H 8.41 . 1 373 . 89 GLY CA C 45.0 . 1 374 . 89 GLY HA2 H 3.96 . 1 375 . 89 GLY HA3 H 3.96 . 1 376 . 90 GLY N N 108.5 . 1 377 . 90 GLY H H 8.31 . 1 378 . 91 GLY N N 108.8 . 1 379 . 91 GLY H H 8.25 . 1 380 . 91 GLY CA C 45.1 . 1 381 . 91 GLY HA2 H 3.82 . 1 382 . 91 GLY HA3 H 3.82 . 1 383 . 92 TRP N N 121.0 . 1 384 . 92 TRP H H 8.04 . 1 385 . 92 TRP CA C 57.4 . 1 386 . 92 TRP HA H 4.54 . 1 387 . 92 TRP CB C 29.5 . 1 388 . 92 TRP HB2 H 3.14 . 2 389 . 92 TRP HB3 H 3.23 . 2 390 . 93 GLY N N 110.7 . 1 391 . 93 GLY H H 8.25 . 1 392 . 93 GLY HA2 H 3.71 . 2 393 . 93 GLY HA3 H 3.77 . 2 394 . 94 GLN N N 120.3 . 1 395 . 94 GLN H H 8.00 . 1 396 . 94 GLN HA H 4.49 . 1 397 . 94 GLN HB2 H 1.80 . 2 398 . 94 GLN HB3 H 1.98 . 2 399 . 94 GLN HG2 H 2.25 . 1 400 . 94 GLN HG3 H 2.25 . 1 401 . 96 HIS N N 118.2 . 1 402 . 96 HIS H H 8.54 . 1 403 . 96 HIS CA C 55.0 . 1 404 . 96 HIS HA H 4.62 . 1 405 . 96 HIS CB C 28.8 . 1 406 . 96 HIS HB2 H 3.10 . 2 407 . 96 HIS HB3 H 3.17 . 2 408 . 97 GLY N N 110.0 . 1 409 . 97 GLY H H 8.41 . 1 410 . 97 GLY CA C 45.0 . 1 411 . 97 GLY HA2 H 3.96 . 1 412 . 97 GLY HA3 H 3.96 . 1 413 . 98 GLY N N 108.5 . 1 414 . 98 GLY H H 8.28 . 1 415 . 99 GLY N N 108.5 . 1 416 . 99 GLY H H 8.29 . 1 417 . 100 GLY N N 108.8 . 1 418 . 100 GLY H H 8.26 . 1 419 . 100 GLY CA C 44.9 . 1 420 . 100 GLY HA2 H 3.83 . 1 421 . 100 GLY HA3 H 3.83 . 1 422 . 101 TRP N N 120.8 . 1 423 . 101 TRP H H 8.11 . 1 424 . 101 TRP CA C 57.4 . 1 425 . 101 TRP HA H 4.56 . 1 426 . 101 TRP CB C 29.3 . 1 427 . 101 TRP HB2 H 3.13 . 2 428 . 101 TRP HB3 H 3.23 . 2 429 . 102 GLY N N 110.7 . 1 430 . 102 GLY H H 8.31 . 1 431 . 102 GLY CA C 45.2 . 1 432 . 102 GLY HA2 H 3.75 . 2 433 . 102 GLY HA3 H 3.80 . 2 434 . 103 GLN N N 119.7 . 1 435 . 103 GLN H H 8.16 . 1 436 . 104 GLY N N 109.9 . 1 437 . 104 GLY H H 8.51 . 1 438 . 105 GLY N N 108.8 . 1 439 . 105 GLY H H 8.25 . 1 440 . 105 GLY CA C 45.0 . 1 441 . 105 GLY HA2 H 3.94 . 1 442 . 105 GLY HA3 H 3.94 . 1 443 . 106 THR N N 113.0 . 1 444 . 106 THR H H 8.10 . 1 445 . 106 THR CA C 61.7 . 1 446 . 106 THR HA H 4.25 . 1 447 . 106 THR CB C 69.4 . 1 448 . 106 THR HB H 4.14 . 1 449 . 106 THR HG2 H 1.10 . 1 450 . 107 HIS N N 120.3 . 1 451 . 107 HIS H H 8.54 . 1 452 . 107 HIS CA C 55.2 . 1 453 . 107 HIS HA H 4.64 . 1 454 . 107 HIS CB C 28.7 . 1 455 . 107 HIS HB2 H 3.06 . 2 456 . 107 HIS HB3 H 3.21 . 2 457 . 108 GLY N N 109.7 . 1 458 . 108 GLY H H 8.31 . 1 459 . 108 GLY CA C 45.1 . 1 460 . 108 GLY HA2 H 3.82 . 1 461 . 108 GLY HA3 H 3.82 . 1 462 . 109 GLN N N 119.9 . 1 463 . 109 GLN H H 8.24 . 1 464 . 109 GLN CA C 55.7 . 1 465 . 109 GLN HA H 4.26 . 1 466 . 109 GLN CB C 29.1 . 1 467 . 109 GLN HB2 H 1.85 . 2 468 . 109 GLN HB3 H 1.93 . 2 469 . 109 GLN CG C 33.5 . 1 470 . 109 GLN HG2 H 2.17 . 1 471 . 109 GLN HG3 H 2.17 . 1 472 . 110 TRP N N 122.1 . 1 473 . 110 TRP H H 8.22 . 1 474 . 110 TRP CA C 57.0 . 1 475 . 110 TRP HA H 4.62 . 1 476 . 110 TRP CB C 29.3 . 1 477 . 110 TRP HB2 H 3.15 . 2 478 . 110 TRP HB3 H 3.24 . 2 479 . 111 ASN N N 120.7 . 1 480 . 111 ASN H H 8.16 . 1 481 . 111 ASN CA C 52.4 . 1 482 . 111 ASN HA H 4.57 . 1 483 . 111 ASN CB C 38.6 . 1 484 . 111 ASN HB2 H 2.48 . 2 485 . 111 ASN HB3 H 2.53 . 2 486 . 112 LYS N N 122.7 . 1 487 . 112 LYS H H 8.05 . 1 488 . 112 LYS CA C 54.1 . 1 489 . 112 LYS HA H 4.37 . 1 490 . 112 LYS CB C 32.3 . 1 491 . 112 LYS HB2 H 1.59 . 2 492 . 112 LYS HB3 H 1.71 . 2 493 . 112 LYS CG C 24.5 . 1 494 . 112 LYS HG2 H 1.33 . 1 495 . 112 LYS HG3 H 1.33 . 1 496 . 112 LYS CD C 29.0 . 1 497 . 112 LYS HD2 H 1.58 . 1 498 . 112 LYS HD3 H 1.58 . 1 499 . 112 LYS CE C 41.9 . 1 500 . 112 LYS HE2 H 2.95 . 1 501 . 112 LYS HE3 H 2.95 . 1 502 . 113 PRO CB C 32.0 . 1 503 . 113 PRO HB2 H 2.27 . 2 504 . 113 PRO HB3 H 1.88 . 2 505 . 113 PRO HG2 H 2.02 . 1 506 . 113 PRO HG3 H 2.02 . 1 507 . 114 SER N N 116.9 . 1 508 . 114 SER H H 8.46 . 1 509 . 114 SER CA C 57.8 . 1 510 . 114 SER HA H 4.41 . 1 511 . 114 SER CB C 63.8 . 1 512 . 114 SER HB2 H 3.82 . 1 513 . 114 SER HB3 H 3.82 . 1 514 . 115 LYS N N 124.2 . 1 515 . 115 LYS H H 8.37 . 1 516 . 115 LYS CA C 54.1 . 1 517 . 115 LYS HA H 4.58 . 1 518 . 115 LYS CB C 32.5 . 1 519 . 115 LYS HB2 H 1.68 . 2 520 . 115 LYS HB3 H 1.77 . 2 521 . 115 LYS CG C 24.2 . 1 522 . 115 LYS HG2 H 1.42 . 1 523 . 115 LYS HG3 H 1.42 . 1 524 . 115 LYS CD C 29.0 . 1 525 . 115 LYS HD2 H 1.65 . 1 526 . 115 LYS HD3 H 1.65 . 1 527 . 115 LYS CE C 41.9 . 1 528 . 115 LYS HE2 H 3.00 . 1 529 . 115 LYS HE3 H 3.00 . 1 530 . 116 PRO CD C 50.4 . 1 531 . 116 PRO CA C 62.9 . 1 532 . 116 PRO HA H 4.38 . 1 533 . 116 PRO CB C 32.3 . 1 534 . 116 PRO HB2 H 1.85 . 2 535 . 116 PRO HB3 H 2.25 . 2 536 . 116 PRO CG C 27.1 . 1 537 . 116 PRO HG2 H 1.95 . 1 538 . 116 PRO HG3 H 1.95 . 1 539 . 116 PRO HD2 H 3.58 . 2 540 . 116 PRO HD3 H 3.78 . 2 541 . 117 LYS N N 122.1 . 1 542 . 117 LYS H H 8.56 . 1 543 . 117 LYS CA C 56.2 . 1 544 . 117 LYS HA H 4.35 . 1 545 . 117 LYS CB C 32.8 . 1 546 . 117 LYS HB2 H 1.75 . 2 547 . 117 LYS HB3 H 1.86 . 2 548 . 117 LYS CG C 55.2 . 1 549 . 117 LYS HG2 H 1.43 . 2 550 . 117 LYS HG3 H 1.49 . 2 551 . 117 LYS CD C 29.0 . 1 552 . 117 LYS HD2 H 1.71 . 1 553 . 117 LYS HD3 H 1.71 . 1 554 . 117 LYS CE C 41.9 . 1 555 . 117 LYS HE2 H 3.02 . 1 556 . 117 LYS HE3 H 3.02 . 1 557 . 118 THR N N 115.3 . 1 558 . 118 THR H H 8.18 . 1 559 . 118 THR CA C 61.2 . 1 560 . 118 THR HA H 4.33 . 1 561 . 118 THR CB C 69.4 . 1 562 . 118 THR HB H 4.18 . 1 563 . 118 THR HG2 H 1.19 . 1 564 . 118 THR CG2 C 21.4 . 1 565 . 119 ASN N N 121.4 . 1 566 . 119 ASN H H 8.58 . 1 567 . 119 ASN CA C 52.9 . 1 568 . 119 ASN HA H 4.68 . 1 569 . 119 ASN CB C 38.6 . 1 570 . 119 ASN HB2 H 2.80 . 2 571 . 119 ASN HB3 H 2.72 . 2 572 . 120 MET N N 121.3 . 1 573 . 120 MET H H 8.38 . 1 574 . 120 MET CA C 55.2 . 1 575 . 120 MET HA H 4.41 . 1 576 . 120 MET CB C 32.5 . 1 577 . 120 MET HB2 H 1.92 . 2 578 . 120 MET HB3 H 2.02 . 2 579 . 120 MET CG C 32.0 . 1 580 . 120 MET HG2 H 2.45 . 2 581 . 120 MET HG3 H 2.52 . 2 582 . 120 MET HE H 2.04 . 1 583 . 120 MET CE C 16.7 . 1 584 . 121 LYS N N 122.4 . 1 585 . 121 LYS H H 8.34 . 1 586 . 121 LYS CA C 56.1 . 1 587 . 121 LYS HA H 4.25 . 1 588 . 121 LYS CB C 32.9 . 1 589 . 121 LYS HB2 H 1.74 . 1 590 . 121 LYS HB3 H 1.74 . 1 591 . 121 LYS HG2 H 1.39 . 1 592 . 121 LYS HG3 H 1.39 . 1 593 . 122 HIS N N 120.7 . 1 594 . 122 HIS H H 8.59 . 1 595 . 122 HIS CA C 55.1 . 1 596 . 122 HIS HA H 4.64 . 1 597 . 122 HIS CB C 28.9 . 1 598 . 122 HIS HB2 H 3.10 . 2 599 . 122 HIS HB3 H 3.18 . 2 600 . 123 VAL N N 122.8 . 1 601 . 123 VAL H H 8.26 . 1 602 . 123 VAL CA C 61.7 . 1 603 . 123 VAL HA H 4.10 . 1 604 . 123 VAL CB C 32.9 . 1 605 . 123 VAL HB H 2.02 . 1 606 . 123 VAL HG1 H 0.90 . 2 607 . 123 VAL CG1 C 50.9 . 1 608 . 124 ALA N N 128.4 . 1 609 . 124 ALA H H 8.53 . 1 610 . 124 ALA CA C 52.4 . 1 611 . 124 ALA HA H 4.29 . 1 612 . 124 ALA HB H 1.39 . 1 613 . 124 ALA CB C 19.3 . 1 614 . 125 GLY N N 108.8 . 1 615 . 125 GLY H H 8.42 . 1 616 . 125 GLY CA C 44.9 . 1 617 . 125 GLY HA2 H 3.93 . 1 618 . 125 GLY HA3 H 3.93 . 1 619 . 126 ALA N N 123.8 . 1 620 . 126 ALA H H 8.19 . 1 621 . 126 ALA CA C 52.3 . 1 622 . 126 ALA HA H 4.30 . 1 623 . 126 ALA HB H 1.37 . 1 624 . 126 ALA CB C 19.2 . 1 625 . 127 ALA N N 123.3 . 1 626 . 127 ALA H H 8.34 . 1 627 . 127 ALA CA C 52.3 . 1 628 . 127 ALA HA H 4.28 . 1 629 . 127 ALA HB H 1.36 . 1 630 . 127 ALA CB C 19.1 . 1 631 . 128 ALA N N 123.4 . 1 632 . 128 ALA H H 8.26 . 1 633 . 128 ALA CA C 52.2 . 1 634 . 128 ALA HA H 4.25 . 1 635 . 128 ALA HB H 1.34 . 1 636 . 128 ALA CB C 18.9 . 1 637 . 129 ALA N N 123.4 . 1 638 . 129 ALA H H 8.28 . 1 639 . 129 ALA CA C 52.5 . 1 640 . 129 ALA HA H 4.28 . 1 641 . 129 ALA HB H 1.37 . 1 642 . 129 ALA CB C 19.1 . 1 643 . 130 GLY N N 107.9 . 1 644 . 130 GLY H H 8.31 . 1 645 . 130 GLY CA C 45.0 . 1 646 . 130 GLY HA2 H 3.92 . 1 647 . 130 GLY HA3 H 3.92 . 1 648 . 131 ALA N N 123.6 . 1 649 . 131 ALA H H 8.11 . 1 650 . 131 ALA CA C 52.1 . 1 651 . 131 ALA HA H 4.33 . 1 652 . 131 ALA HB H 1.32 . 1 653 . 131 ALA CB C 19.4 . 1 654 . 132 VAL N N 119.7 . 1 655 . 132 VAL H H 8.17 . 1 656 . 132 VAL CA C 62.0 . 1 657 . 132 VAL HA H 4.12 . 1 658 . 132 VAL CB C 32.4 . 1 659 . 132 VAL HB H 2.00 . 1 660 . 132 VAL HG1 H 0.85 . 1 661 . 132 VAL HG2 H 0.84 . 1 662 . 132 VAL CG1 C 20.9 . 1 663 . 132 VAL CG2 C 20.1 . 1 664 . 133 VAL N N 124.6 . 1 665 . 133 VAL H H 8.29 . 1 666 . 133 VAL CA C 62.3 . 1 667 . 133 VAL HA H 4.05 . 1 668 . 133 VAL CB C 32.3 . 1 669 . 133 VAL HB H 1.97 . 1 670 . 133 VAL HG1 H 0.84 . 1 671 . 133 VAL HG2 H 0.85 . 1 672 . 133 VAL CG1 C 20.6 . 1 673 . 133 VAL CG2 C 20.9 . 1 674 . 134 GLY N N 113.4 . 1 675 . 134 GLY H H 8.59 . 1 676 . 134 GLY CA C 44.8 . 1 677 . 134 GLY HA2 H 3.93 . 1 678 . 134 GLY HA3 H 3.93 . 1 679 . 135 GLY N N 108.4 . 1 680 . 135 GLY H H 8.29 . 1 681 . 135 GLY CA C 45.1 . 1 682 . 135 GLY HA2 H 3.93 . 1 683 . 135 GLY HA3 H 3.93 . 1 684 . 136 LEU N N 121.6 . 1 685 . 136 LEU H H 8.23 . 1 686 . 136 LEU CA C 54.5 . 1 687 . 136 LEU HA H 4.32 . 1 688 . 136 LEU CB C 42.2 . 1 689 . 136 LEU HB2 H 1.51 . 1 690 . 136 LEU HB3 H 1.57 . 1 691 . 136 LEU CG C 26.7 . 1 692 . 136 LEU HG H 1.45 . 1 693 . 136 LEU HD1 H 0.62 . 1 694 . 136 LEU HD2 H 0.52 . 1 695 . 136 LEU CD1 C 24.6 . 1 696 . 136 LEU CD2 C 23.3 . 1 697 . 137 GLY N N 109.7 . 1 698 . 137 GLY H H 8.55 . 1 699 . 137 GLY CA C 45.9 . 1 700 . 137 GLY HA2 H 3.82 . 2 701 . 137 GLY HA3 H 3.91 . 2 702 . 138 GLY N N 109.0 . 1 703 . 138 GLY H H 8.38 . 1 704 . 138 GLY CA C 44.8 . 1 705 . 138 GLY HA2 H 3.75 . 2 706 . 138 GLY HA3 H 3.88 . 2 707 . 139 TYR N N 117.8 . 1 708 . 139 TYR H H 7.83 . 1 709 . 139 TYR CA C 58.0 . 1 710 . 139 TYR HA H 4.41 . 1 711 . 139 TYR CB C 39.9 . 1 712 . 139 TYR HB2 H 2.90 . 1 713 . 139 TYR HB3 H 2.79 . 1 714 . 139 TYR HD1 H 6.80 . 1 715 . 139 TYR HD2 H 6.80 . 1 716 . 139 TYR HE1 H 6.61 . 1 717 . 139 TYR HE2 H 6.61 . 1 718 . 140 MET N N 121.2 . 1 719 . 140 MET H H 9.09 . 1 720 . 140 MET CA C 53.3 . 1 721 . 140 MET HA H 4.49 . 1 722 . 140 MET CB C 34.2 . 1 723 . 140 MET HB2 H 0.93 . 2 724 . 140 MET HB3 H 1.55 . 2 725 . 140 MET CG C 31.8 . 1 726 . 140 MET HG2 H 2.20 . 1 727 . 140 MET HG3 H 2.20 . 1 728 . 140 MET HE H 1.95 . 1 729 . 140 MET CE C 17.0 . 1 730 . 141 LEU N N 121.2 . 1 731 . 141 LEU H H 8.12 . 1 732 . 141 LEU CA C 53.1 . 1 733 . 141 LEU HA H 4.47 . 1 734 . 141 LEU CB C 43.5 . 1 735 . 141 LEU HB2 H 0.93 . 1 736 . 141 LEU HB3 H 1.59 . 1 737 . 141 LEU CG C 25.9 . 1 738 . 141 LEU HG H 1.35 . 1 739 . 141 LEU HD1 H -0.08 . 1 740 . 141 LEU HD2 H 0.58 . 1 741 . 141 LEU CD1 C 21.3 . 1 742 . 141 LEU CD2 C 25.7 . 1 743 . 142 GLY N N 115.3 . 1 744 . 142 GLY H H 9.40 . 1 745 . 142 GLY CA C 44.7 . 1 746 . 142 GLY HA2 H 4.40 . 2 747 . 142 GLY HA3 H 4.03 . 2 748 . 143 SER N N 113.3 . 1 749 . 143 SER H H 8.39 . 1 750 . 143 SER CA C 58.2 . 1 751 . 143 SER HA H 4.37 . 1 752 . 143 SER CB C 63.8 . 1 753 . 143 SER HB2 H 3.94 . 2 754 . 143 SER HB3 H 3.88 . 2 755 . 144 ALA N N 125.3 . 1 756 . 144 ALA H H 8.79 . 1 757 . 144 ALA CA C 52.7 . 1 758 . 144 ALA HA H 4.42 . 1 759 . 144 ALA HB H 1.24 . 1 760 . 144 ALA CB C 18.2 . 1 761 . 145 MET N N 121.0 . 1 762 . 145 MET H H 8.79 . 1 763 . 145 MET CA C 53.5 . 1 764 . 145 MET HA H 4.72 . 1 765 . 145 MET CB C 37.0 . 1 766 . 145 MET HB2 H 1.98 . 1 767 . 145 MET HB3 H 1.98 . 1 768 . 145 MET CG C 30.9 . 1 769 . 145 MET HG2 H 2.44 . 2 770 . 145 MET HG3 H 2.38 . 2 771 . 145 MET HE H 2.13 . 1 772 . 145 MET CE C 17.5 . 1 773 . 146 SER N N 116.3 . 1 774 . 146 SER H H 8.46 . 1 775 . 146 SER CA C 58.4 . 1 776 . 146 SER HA H 4.31 . 1 777 . 146 SER CB C 62.9 . 1 778 . 146 SER HB2 H 3.78 . 2 779 . 146 SER HB3 H 3.70 . 2 780 . 147 ARG N N 126.6 . 1 781 . 147 ARG H H 8.68 . 1 782 . 147 ARG CA C 54.6 . 1 783 . 147 ARG HA H 4.38 . 1 784 . 147 ARG CB C 29.4 . 1 785 . 147 ARG HB2 H 1.70 . 1 786 . 147 ARG HB3 H 1.70 . 1 787 . 147 ARG CG C 28.5 . 1 788 . 147 ARG HG2 H 1.81 . 1 789 . 147 ARG HG3 H 1.81 . 1 790 . 147 ARG CD C 43.6 . 1 791 . 147 ARG HD2 H 3.11 . 2 792 . 147 ARG HD3 H 3.02 . 2 793 . 147 ARG NE N 86.0 . 1 794 . 147 ARG HE H 6.68 . 1 795 . 148 PRO CD C 50.6 . 1 796 . 148 PRO CA C 62.1 . 1 797 . 148 PRO HA H 4.36 . 1 798 . 148 PRO CB C 32.3 . 1 799 . 148 PRO HB2 H 1.74 . 1 800 . 148 PRO HB3 H 2.22 . 1 801 . 148 PRO CG C 27.2 . 1 802 . 148 PRO HG2 H 2.00 . 2 803 . 148 PRO HG3 H 1.97 . 2 804 . 148 PRO HD2 H 3.90 . 2 805 . 148 PRO HD3 H 3.58 . 2 806 . 149 LEU N N 124.1 . 1 807 . 149 LEU H H 8.66 . 1 808 . 149 LEU CA C 54.4 . 1 809 . 149 LEU HA H 4.49 . 1 810 . 149 LEU CB C 40.6 . 1 811 . 149 LEU HB2 H 1.52 . 2 812 . 149 LEU HB3 H 1.63 . 2 813 . 149 LEU CG C 26.9 . 1 814 . 149 LEU HG H 1.55 . 1 815 . 149 LEU HD1 H 0.94 . 1 816 . 149 LEU HD2 H 0.90 . 1 817 . 149 LEU CD1 C 24.4 . 1 818 . 149 LEU CD2 C 23.9 . 1 819 . 150 ILE N N 123.1 . 1 820 . 150 ILE H H 6.57 . 1 821 . 150 ILE CA C 59.1 . 1 822 . 150 ILE HA H 3.86 . 1 823 . 150 ILE CB C 39.3 . 1 824 . 150 ILE HB H 0.89 . 1 825 . 150 ILE HG2 H -0.04 . 1 826 . 150 ILE CG2 C 17.0 . 1 827 . 150 ILE CG1 C 26.6 . 1 828 . 150 ILE HG12 H 0.72 . 2 829 . 150 ILE HG13 H 0.89 . 2 830 . 150 ILE HD1 H 0.44 . 1 831 . 150 ILE CD1 C 12.7 . 1 832 . 151 HIS N N 121.6 . 1 833 . 151 HIS H H 8.25 . 1 834 . 151 HIS CA C 53.8 . 1 835 . 151 HIS HA H 4.89 . 1 836 . 151 HIS CB C 29.3 . 1 837 . 151 HIS HB2 H 3.25 . 2 838 . 151 HIS HB3 H 2.92 . 2 839 . 151 HIS CE1 C 136.3 . 1 840 . 151 HIS HD2 H 7.20 . 1 841 . 151 HIS HE1 H 8.56 . 1 842 . 152 PHE N N 124.4 . 1 843 . 152 PHE H H 10.16 . 1 844 . 152 PHE CA C 59.1 . 1 845 . 152 PHE HA H 4.32 . 1 846 . 152 PHE CB C 41.1 . 1 847 . 152 PHE HB2 H 2.77 . 2 848 . 152 PHE HB3 H 3.29 . 2 849 . 152 PHE HD1 H 7.29 . 1 850 . 152 PHE HD2 H 7.29 . 1 851 . 152 PHE HE1 H 6.83 . 1 852 . 152 PHE HE2 H 6.83 . 1 853 . 152 PHE HZ H 6.67 . 1 854 . 153 GLY N N 108.5 . 1 855 . 153 GLY H H 8.97 . 1 856 . 153 GLY CA C 45.6 . 1 857 . 153 GLY HA2 H 3.80 . 2 858 . 153 GLY HA3 H 4.11 . 2 859 . 154 SER N N 111.9 . 1 860 . 154 SER H H 7.34 . 1 861 . 154 SER CA C 56.4 . 1 862 . 154 SER HA H 4.77 . 1 863 . 154 SER CB C 65.7 . 1 864 . 154 SER HB2 H 3.89 . 1 865 . 154 SER HB3 H 4.10 . 1 866 . 155 ASP N N 124.4 . 1 867 . 155 ASP H H 9.09 . 1 868 . 155 ASP CA C 57.3 . 1 869 . 155 ASP HA H 4.47 . 1 870 . 155 ASP CB C 40.4 . 1 871 . 155 ASP HB2 H 2.72 . 1 872 . 155 ASP HB3 H 2.72 . 1 873 . 156 TYR N N 119.1 . 1 874 . 156 TYR H H 8.60 . 1 875 . 156 TYR CA C 61.2 . 1 876 . 156 TYR HA H 4.16 . 1 877 . 156 TYR CB C 37.9 . 1 878 . 156 TYR HB2 H 3.23 . 1 879 . 156 TYR HB3 H 2.81 . 1 880 . 156 TYR HD1 H 7.03 . 1 881 . 156 TYR HD2 H 7.03 . 1 882 . 156 TYR HE1 H 6.74 . 1 883 . 156 TYR HE2 H 6.74 . 1 884 . 157 GLU N N 119.1 . 1 885 . 157 GLU H H 7.74 . 1 886 . 157 GLU CA C 59.5 . 1 887 . 157 GLU HA H 3.56 . 1 888 . 157 GLU CB C 29.8 . 1 889 . 157 GLU HB2 H 1.93 . 1 890 . 157 GLU HB3 H 1.56 . 1 891 . 157 GLU CG C 37.4 . 1 892 . 157 GLU HG2 H 2.26 . 1 893 . 157 GLU HG3 H 1.90 . 1 894 . 158 ASP N N 119.7 . 1 895 . 158 ASP H H 8.22 . 1 896 . 158 ASP CA C 58.2 . 1 897 . 158 ASP HA H 4.64 . 1 898 . 158 ASP CB C 40.1 . 1 899 . 158 ASP HB2 H 2.99 . 2 900 . 158 ASP HB3 H 2.85 . 2 901 . 159 ARG N N 120.3 . 1 902 . 159 ARG H H 8.24 . 1 903 . 159 ARG CA C 59.4 . 1 904 . 159 ARG HA H 3.97 . 1 905 . 159 ARG CB C 29.6 . 1 906 . 159 ARG HB2 H 1.87 . 1 907 . 159 ARG HB3 H 1.87 . 1 908 . 159 ARG CG C 27.6 . 1 909 . 159 ARG HG2 H 1.50 . 2 910 . 159 ARG HG3 H 1.72 . 2 911 . 159 ARG CD C 43.2 . 1 912 . 159 ARG HD2 H 3.17 . 1 913 . 159 ARG HD3 H 3.17 . 1 914 . 159 ARG NE N 85.0 . 1 915 . 159 ARG HE H 7.48 . 1 916 . 159 ARG HH11 H 6.90 . 2 917 . 159 ARG HH21 H 6.62 . 2 918 . 160 TYR N N 121.2 . 1 919 . 160 TYR H H 8.32 . 1 920 . 160 TYR CA C 62.0 . 1 921 . 160 TYR HA H 3.80 . 1 922 . 160 TYR CB C 38.1 . 1 923 . 160 TYR HB2 H 2.58 . 1 924 . 160 TYR HB3 H 2.83 . 1 925 . 160 TYR HD1 H 6.91 . 1 926 . 160 TYR HD2 H 6.91 . 1 927 . 160 TYR HE1 H 6.72 . 1 928 . 160 TYR HE2 H 6.72 . 1 929 . 161 TYR N N 121.0 . 1 930 . 161 TYR H H 9.01 . 1 931 . 161 TYR CA C 62.7 . 1 932 . 161 TYR HA H 4.09 . 1 933 . 161 TYR CB C 38.1 . 1 934 . 161 TYR HB2 H 3.46 . 1 935 . 161 TYR HB3 H 3.20 . 1 936 . 161 TYR HD1 H 7.48 . 1 937 . 161 TYR HD2 H 7.48 . 1 938 . 161 TYR HE1 H 6.97 . 1 939 . 161 TYR HE2 H 6.97 . 1 940 . 162 ARG N N 118.2 . 1 941 . 162 ARG H H 8.04 . 1 942 . 162 ARG CA C 59.8 . 1 943 . 162 ARG HA H 3.86 . 1 944 . 162 ARG CB C 29.6 . 1 945 . 162 ARG HB2 H 1.92 . 2 946 . 162 ARG HB3 H 2.00 . 2 947 . 162 ARG CG C 28.2 . 1 948 . 162 ARG HG2 H 1.70 . 2 949 . 162 ARG HG3 H 1.98 . 2 950 . 162 ARG CD C 43.3 . 1 951 . 162 ARG HD2 H 3.32 . 2 952 . 162 ARG HD3 H 3.24 . 2 953 . 162 ARG NE N 84.7 . 1 954 . 162 ARG HE H 7.50 . 1 955 . 162 ARG HH11 H 7.04 . 2 956 . 162 ARG HH21 H 6.58 . 2 957 . 163 GLU N N 116.6 . 1 958 . 163 GLU H H 8.05 . 1 959 . 163 GLU CA C 57.8 . 1 960 . 163 GLU HA H 4.04 . 1 961 . 163 GLU CB C 29.4 . 1 962 . 163 GLU HB2 H 1.86 . 1 963 . 163 GLU HB3 H 1.86 . 1 964 . 163 GLU CG C 35.7 . 1 965 . 163 GLU HG2 H 2.21 . 1 966 . 163 GLU HG3 H 2.39 . 1 967 . 164 ASN N N 114.7 . 1 968 . 164 ASN H H 7.62 . 1 969 . 164 ASN CA C 54.8 . 1 970 . 164 ASN HA H 4.25 . 1 971 . 164 ASN CB C 40.9 . 1 972 . 164 ASN HB2 H 2.11 . 1 973 . 164 ASN HB3 H 2.11 . 1 974 . 164 ASN ND2 N 117.2 . 1 975 . 164 ASN HD21 H 6.73 . 1 976 . 164 ASN HD22 H 6.61 . 1 977 . 165 MET N N 120.0 . 1 978 . 165 MET H H 8.18 . 1 979 . 165 MET CA C 59.1 . 1 980 . 165 MET HA H 3.40 . 1 981 . 165 MET CB C 30.1 . 1 982 . 165 MET HB2 H 1.61 . 2 983 . 165 MET HB3 H 1.28 . 2 984 . 165 MET CG C 30.3 . 1 985 . 165 MET HG2 H 2.46 . 2 986 . 165 MET HG3 H 2.12 . 2 987 . 165 MET HE H 1.98 . 1 988 . 165 MET CE C 17.4 . 1 989 . 166 HIS N N 115.0 . 1 990 . 166 HIS H H 8.12 . 1 991 . 166 HIS CA C 57.5 . 1 992 . 166 HIS HA H 4.18 . 1 993 . 166 HIS CB C 27.1 . 1 994 . 166 HIS HB2 H 3.04 . 2 995 . 166 HIS HB3 H 3.28 . 2 996 . 166 HIS HD2 H 7.32 . 1 997 . 167 ARG N N 117.8 . 1 998 . 167 ARG H H 7.65 . 1 999 . 167 ARG CA C 56.0 . 1 1000 . 167 ARG HA H 4.12 . 1 1001 . 167 ARG CB C 30.5 . 1 1002 . 167 ARG HB2 H 1.40 . 1 1003 . 167 ARG HB3 H 2.10 . 1 1004 . 167 ARG CG C 27.1 . 1 1005 . 167 ARG HG2 H 1.35 . 1 1006 . 167 ARG HG3 H 0.31 . 1 1007 . 167 ARG CD C 43.8 . 1 1008 . 167 ARG HD2 H 3.22 . 2 1009 . 167 ARG HD3 H 3.05 . 2 1010 . 167 ARG NE N 84.1 . 1 1011 . 167 ARG HE H 7.42 . 1 1012 . 167 ARG NH1 N 112.5 . 1 1013 . 167 ARG HH11 H 7.13 . 2 1014 . 167 ARG NH2 N 111.9 . 1 1015 . 167 ARG HH21 H 6.46 . 2 1016 . 167 ARG HH22 H 6.36 . 2 1017 . 168 TYR N N 120.9 . 1 1018 . 168 TYR H H 7.55 . 1 1019 . 168 TYR CA C 52.4 . 1 1020 . 168 TYR HA H 4.97 . 1 1021 . 168 TYR CB C 34.7 . 1 1022 . 168 TYR HB2 H 3.09 . 1 1023 . 168 TYR HB3 H 3.09 . 1 1024 . 168 TYR HD1 H 6.84 . 1 1025 . 168 TYR HD2 H 6.84 . 1 1026 . 168 TYR HE1 H 6.55 . 1 1027 . 168 TYR HE2 H 6.55 . 1 1028 . 169 PRO CD C 49.9 . 1 1029 . 169 PRO CA C 63.4 . 1 1030 . 169 PRO HA H 4.37 . 1 1031 . 169 PRO CB C 32.1 . 1 1032 . 169 PRO HB2 H 1.63 . 1 1033 . 169 PRO HB3 H 2.36 . 1 1034 . 169 PRO CG C 27.3 . 1 1035 . 169 PRO HG2 H 1.50 . 2 1036 . 169 PRO HG3 H 1.20 . 2 1037 . 169 PRO HD2 H 3.11 . 1 1038 . 169 PRO HD3 H 3.26 . 1 1039 . 170 ASN N N 115.9 . 1 1040 . 170 ASN H H 8.58 . 1 1041 . 170 ASN CA C 51.7 . 1 1042 . 170 ASN HA H 4.65 . 1 1043 . 170 ASN CB C 38.1 . 1 1044 . 170 ASN HB2 H 3.70 . 2 1045 . 170 ASN HB3 H 2.38 . 2 1046 . 170 ASN ND2 N 108.8 . 1 1047 . 170 ASN HD21 H 7.47 . 1 1048 . 170 ASN HD22 H 6.76 . 1 1049 . 171 GLN N N 113.8 . 1 1050 . 171 GLN H H 7.27 . 1 1051 . 171 GLN CA C 53.8 . 1 1052 . 171 GLN HA H 4.50 . 1 1053 . 171 GLN CB C 33.6 . 1 1054 . 171 GLN HB2 H 1.65 . 1 1055 . 171 GLN HB3 H 1.96 . 1 1056 . 171 GLN CG C 33.9 . 1 1057 . 171 GLN HG2 H 2.13 . 2 1058 . 171 GLN HG3 H 1.99 . 2 1059 . 171 GLN NE2 N 112.8 . 1 1060 . 171 GLN HE21 H 7.95 . 1 1061 . 171 GLN HE22 H 6.99 . 1 1062 . 172 VAL N N 112.8 . 1 1063 . 172 VAL H H 8.53 . 1 1064 . 172 VAL CA C 58.3 . 1 1065 . 172 VAL HA H 4.90 . 1 1066 . 172 VAL CB C 33.8 . 1 1067 . 172 VAL HB H 2.58 . 1 1068 . 172 VAL HG1 H 0.91 . 1 1069 . 172 VAL HG2 H 0.72 . 1 1070 . 172 VAL CG1 C 23.3 . 1 1071 . 172 VAL CG2 C 18.3 . 1 1072 . 173 TYR N N 121.6 . 1 1073 . 173 TYR H H 8.47 . 1 1074 . 173 TYR CA C 56.9 . 1 1075 . 173 TYR HA H 5.55 . 1 1076 . 173 TYR CB C 41.7 . 1 1077 . 173 TYR HB2 H 2.57 . 2 1078 . 173 TYR HB3 H 2.55 . 2 1079 . 173 TYR HD1 H 6.86 . 1 1080 . 173 TYR HD2 H 6.86 . 1 1081 . 173 TYR HE1 H 6.70 . 1 1082 . 173 TYR HE2 H 6.70 . 1 1083 . 174 TYR N N 111.3 . 1 1084 . 174 TYR H H 8.61 . 1 1085 . 174 TYR CA C 55.7 . 1 1086 . 174 TYR HA H 4.83 . 1 1087 . 174 TYR CB C 40.1 . 1 1088 . 174 TYR HB2 H 2.78 . 2 1089 . 174 TYR HB3 H 2.64 . 2 1090 . 174 TYR HD1 H 7.11 . 1 1091 . 174 TYR HD2 H 7.11 . 1 1092 . 174 TYR HE1 H 6.45 . 1 1093 . 174 TYR HE2 H 6.45 . 1 1094 . 175 ARG N N 120.3 . 1 1095 . 175 ARG H H 7.95 . 1 1096 . 175 ARG CA C 53.3 . 1 1097 . 175 ARG HA H 4.58 . 1 1098 . 175 ARG CB C 29.5 . 1 1099 . 175 ARG HB2 H 1.75 . 2 1100 . 175 ARG HB3 H 1.59 . 2 1101 . 175 ARG CG C 27.6 . 1 1102 . 175 ARG HG2 H 0.89 . 2 1103 . 175 ARG HG3 H 1.02 . 2 1104 . 175 ARG CD C 43.2 . 1 1105 . 175 ARG HD2 H 2.74 . 2 1106 . 175 ARG HD3 H 2.79 . 2 1107 . 175 ARG NE N 84.7 . 1 1108 . 175 ARG HE H 6.55 . 1 1109 . 176 PRO CD C 50.1 . 1 1110 . 176 PRO CA C 63.4 . 1 1111 . 176 PRO HA H 4.55 . 1 1112 . 176 PRO CB C 32.5 . 1 1113 . 176 PRO HB2 H 1.92 . 1 1114 . 176 PRO HB3 H 2.43 . 1 1115 . 176 PRO CG C 28.0 . 1 1116 . 176 PRO HG2 H 2.08 . 2 1117 . 176 PRO HG3 H 1.96 . 2 1118 . 176 PRO HD2 H 3.39 . 1 1119 . 176 PRO HD3 H 3.60 . 1 1120 . 177 VAL N N 119.1 . 1 1121 . 177 VAL H H 8.55 . 1 1122 . 177 VAL CA C 65.0 . 1 1123 . 177 VAL HA H 4.21 . 1 1124 . 177 VAL CB C 31.9 . 1 1125 . 177 VAL HB H 1.97 . 1 1126 . 177 VAL HG1 H 0.70 . 1 1127 . 177 VAL HG2 H 0.73 . 1 1128 . 177 VAL CG1 C 21.5 . 1 1129 . 177 VAL CG2 C 21.5 . 1 1130 . 178 ASP H H 8.28 . 1 1131 . 178 ASP CA C 53.8 . 1 1132 . 178 ASP HA H 4.39 . 1 1133 . 178 ASP CB C 39.5 . 1 1134 . 178 ASP HB2 H 2.92 . 2 1135 . 178 ASP HB3 H 2.46 . 2 1136 . 179 GLN N N 117.2 . 1 1137 . 179 GLN H H 8.34 . 1 1138 . 179 GLN CA C 55.9 . 1 1139 . 179 GLN HA H 4.05 . 1 1140 . 179 GLN CB C 27.2 . 1 1141 . 179 GLN HB2 H 1.72 . 2 1142 . 179 GLN HB3 H 1.86 . 2 1143 . 179 GLN CG C 33.5 . 1 1144 . 179 GLN HG2 H 2.10 . 1 1145 . 179 GLN HG3 H 2.10 . 1 1146 . 179 GLN NE2 N 112.5 . 1 1147 . 179 GLN HE21 H 7.55 . 1 1148 . 179 GLN HE22 H 6.83 . 1 1149 . 180 TYR N N 117.2 . 1 1150 . 180 TYR H H 7.96 . 1 1151 . 180 TYR CA C 56.8 . 1 1152 . 180 TYR HA H 4.88 . 1 1153 . 180 TYR CB C 41.3 . 1 1154 . 180 TYR HB2 H 2.99 . 2 1155 . 180 TYR HB3 H 3.29 . 2 1156 . 180 TYR HD1 H 7.27 . 1 1157 . 180 TYR HD2 H 7.27 . 1 1158 . 180 TYR HE1 H 6.89 . 1 1159 . 180 TYR HE2 H 6.89 . 1 1160 . 181 SER CA C 59.1 . 1 1161 . 181 SER HA H 4.51 . 1 1162 . 181 SER CB C 63.8 . 1 1163 . 181 SER HB2 H 3.91 . 2 1164 . 181 SER HB3 H 3.98 . 2 1165 . 182 ASN CA C 52.1 . 1 1166 . 182 ASN HA H 4.73 . 1 1167 . 182 ASN CB C 39.9 . 1 1168 . 182 ASN HB2 H 3.14 . 1 1169 . 182 ASN HB3 H 2.98 . 1 1170 . 182 ASN ND2 N 113.4 . 1 1171 . 182 ASN HD21 H 7.52 . 1 1172 . 182 ASN HD22 H 6.70 . 1 1173 . 183 GLN N N 120.0 . 1 1174 . 183 GLN H H 8.65 . 1 1175 . 183 GLN CA C 58.8 . 1 1176 . 183 GLN HA H 2.79 . 1 1177 . 183 GLN CB C 29.2 . 1 1178 . 183 GLN HB2 H 1.62 . 1 1179 . 183 GLN HB3 H 1.53 . 1 1180 . 183 GLN CG C 33.4 . 1 1181 . 183 GLN HG2 H 1.80 . 2 1182 . 183 GLN HG3 H 1.10 . 2 1183 . 183 GLN NE2 N 111.9 . 1 1184 . 183 GLN HE21 H 7.24 . 1 1185 . 183 GLN HE22 H 6.92 . 1 1186 . 184 ASN N N 117.5 . 1 1187 . 184 ASN H H 8.45 . 1 1188 . 184 ASN CA C 56.1 . 1 1189 . 184 ASN HA H 4.19 . 1 1190 . 184 ASN CB C 37.5 . 1 1191 . 184 ASN HB2 H 2.71 . 2 1192 . 184 ASN HB3 H 2.63 . 2 1193 . 184 ASN ND2 N 112.5 . 1 1194 . 184 ASN HD21 H 7.59 . 1 1195 . 184 ASN HD22 H 6.98 . 1 1196 . 185 ASN N N 118.4 . 1 1197 . 185 ASN H H 8.64 . 1 1198 . 185 ASN CA C 55.9 . 1 1199 . 185 ASN HA H 4.54 . 1 1200 . 185 ASN CB C 37.9 . 1 1201 . 185 ASN HB2 H 2.90 . 2 1202 . 185 ASN HB3 H 3.13 . 2 1203 . 185 ASN ND2 N 111.9 . 1 1204 . 185 ASN HD21 H 7.67 . 1 1205 . 185 ASN HD22 H 7.18 . 1 1206 . 186 PHE HD1 H 6.68 . 1 1207 . 186 PHE HD2 H 6.68 . 1 1208 . 186 PHE HE1 H 7.83 . 1 1209 . 186 PHE HE2 H 7.83 . 1 1210 . 186 PHE HZ H 7.23 . 1 1211 . 187 VAL N N 120.3 . 1 1212 . 187 VAL H H 8.95 . 1 1213 . 187 VAL CA C 67.3 . 1 1214 . 187 VAL HA H 3.42 . 1 1215 . 187 VAL CB C 31.6 . 1 1216 . 187 VAL HB H 2.19 . 1 1217 . 187 VAL HG1 H 1.01 . 1 1218 . 187 VAL HG2 H 1.04 . 1 1219 . 187 VAL CG1 C 21.7 . 1 1220 . 187 VAL CG2 C 24.6 . 1 1221 . 188 HIS N N 116.6 . 1 1222 . 188 HIS H H 8.41 . 1 1223 . 188 HIS CA C 59.1 . 1 1224 . 188 HIS HA H 4.28 . 1 1225 . 188 HIS CB C 28.0 . 1 1226 . 188 HIS HB2 H 3.33 . 1 1227 . 188 HIS HB3 H 3.33 . 1 1228 . 188 HIS HD2 H 7.37 . 1 1229 . 189 ASP N N 118.4 . 1 1230 . 189 ASP H H 7.50 . 1 1231 . 189 ASP CA C 56.9 . 1 1232 . 189 ASP HA H 4.54 . 1 1233 . 189 ASP CB C 41.1 . 1 1234 . 189 ASP HB2 H 2.94 . 1 1235 . 189 ASP HB3 H 2.94 . 1 1236 . 190 CYS N N 119.4 . 1 1237 . 190 CYS H H 8.10 . 1 1238 . 190 CYS CA C 58.5 . 1 1239 . 190 CYS HA H 4.67 . 1 1240 . 190 CYS CB C 40.8 . 1 1241 . 190 CYS HB2 H 2.89 . 2 1242 . 190 CYS HB3 H 3.22 . 2 1243 . 191 VAL N N 124.4 . 1 1244 . 191 VAL H H 9.21 . 1 1245 . 191 VAL CA C 66.1 . 1 1246 . 191 VAL HA H 3.66 . 1 1247 . 191 VAL CB C 31.8 . 1 1248 . 191 VAL HB H 2.11 . 1 1249 . 191 VAL HG1 H 0.92 . 1 1250 . 191 VAL HG2 H 1.05 . 1 1251 . 191 VAL CG1 C 21.4 . 1 1252 . 191 VAL CG2 C 23.3 . 1 1253 . 192 ASN N N 116.6 . 1 1254 . 192 ASN H H 7.68 . 1 1255 . 192 ASN CA C 56.4 . 1 1256 . 192 ASN HA H 4.27 . 1 1257 . 192 ASN CB C 38.4 . 1 1258 . 192 ASN HB2 H 2.84 . 2 1259 . 192 ASN HB3 H 2.77 . 2 1260 . 192 ASN ND2 N 111.8 . 1 1261 . 192 ASN HD21 H 7.69 . 1 1262 . 192 ASN HD22 H 6.79 . 1 1263 . 193 ILE N N 118.1 . 1 1264 . 193 ILE H H 8.65 . 1 1265 . 193 ILE CA C 61.8 . 1 1266 . 193 ILE HA H 3.73 . 1 1267 . 193 ILE CB C 36.5 . 1 1268 . 193 ILE HB H 1.54 . 1 1269 . 193 ILE HG2 H 0.21 . 1 1270 . 193 ILE CG2 C 18.3 . 1 1271 . 193 ILE CG1 C 27.3 . 1 1272 . 193 ILE HG12 H 0.79 . 2 1273 . 193 ILE HG13 H 0.89 . 2 1274 . 193 ILE HD1 H 0.37 . 1 1275 . 193 ILE CD1 C 10.9 . 1 1276 . 194 THR N N 118.1 . 1 1277 . 194 THR H H 8.13 . 1 1278 . 194 THR CA C 68.3 . 1 1279 . 194 THR HA H 4.06 . 1 1280 . 194 THR CB C 68.3 . 1 1281 . 194 THR HB H 4.46 . 1 1282 . 194 THR HG2 H 1.46 . 1 1283 . 194 THR HG1 H 6.32 . 1 1284 . 194 THR CG2 C 22.3 . 1 1285 . 195 VAL N N 120.6 . 1 1286 . 195 VAL H H 8.75 . 1 1287 . 195 VAL CA C 67.7 . 1 1288 . 195 VAL HA H 3.55 . 1 1289 . 195 VAL CB C 31.2 . 1 1290 . 195 VAL HB H 2.24 . 1 1291 . 195 VAL HG1 H 0.88 . 1 1292 . 195 VAL HG2 H 0.96 . 1 1293 . 195 VAL CG1 C 21.0 . 1 1294 . 195 VAL CG2 C 23.7 . 1 1295 . 196 LYS N N 121.9 . 1 1296 . 196 LYS H H 7.90 . 1 1297 . 196 LYS CA C 59.8 . 1 1298 . 196 LYS HA H 4.00 . 1 1299 . 196 LYS CB C 32.0 . 1 1300 . 196 LYS HB2 H 1.93 . 1 1301 . 196 LYS HB3 H 1.84 . 1 1302 . 196 LYS CG C 24.8 . 1 1303 . 196 LYS HG2 H 1.44 . 2 1304 . 196 LYS HG3 H 1.31 . 2 1305 . 196 LYS CD C 28.9 . 1 1306 . 196 LYS HD2 H 1.57 . 1 1307 . 196 LYS HD3 H 1.57 . 1 1308 . 196 LYS CE C 41.7 . 1 1309 . 196 LYS HE2 H 2.85 . 1 1310 . 196 LYS HE3 H 2.85 . 1 1311 . 197 GLU N N 116.9 . 1 1312 . 197 GLU H H 8.49 . 1 1313 . 197 GLU CA C 58.2 . 1 1314 . 197 GLU HA H 4.00 . 1 1315 . 197 GLU CB C 27.8 . 1 1316 . 197 GLU HB2 H 1.81 . 1 1317 . 197 GLU HB3 H 2.01 . 1 1318 . 197 GLU CG C 33.4 . 1 1319 . 197 GLU HG2 H 1.69 . 2 1320 . 197 GLU HG3 H 2.18 . 2 1321 . 198 HIS N N 116.9 . 1 1322 . 198 HIS H H 8.09 . 1 1323 . 198 HIS CA C 58.6 . 1 1324 . 198 HIS HA H 4.56 . 1 1325 . 198 HIS CB C 30.3 . 1 1326 . 198 HIS HB2 H 3.31 . 2 1327 . 198 HIS HB3 H 3.23 . 2 1328 . 198 HIS CE1 C 136.3 . 1 1329 . 198 HIS HD2 H 7.21 . 1 1330 . 198 HIS HE1 H 8.62 . 1 1331 . 199 THR N N 112.5 . 1 1332 . 199 THR H H 8.16 . 1 1333 . 199 THR CA C 64.8 . 1 1334 . 199 THR HA H 4.20 . 1 1335 . 199 THR CB C 69.0 . 1 1336 . 199 THR HB H 4.38 . 1 1337 . 199 THR HG2 H 1.16 . 1 1338 . 199 THR CG2 C 21.3 . 1 1339 . 200 VAL N N 122.2 . 1 1340 . 200 VAL H H 8.06 . 1 1341 . 200 VAL CA C 64.8 . 1 1342 . 200 VAL HA H 4.00 . 1 1343 . 200 VAL CB C 32.0 . 1 1344 . 200 VAL HB H 2.18 . 1 1345 . 200 VAL HG1 H 0.92 . 1 1346 . 200 VAL HG2 H 0.99 . 1 1347 . 200 VAL CG1 C 21.0 . 1 1348 . 200 VAL CG2 C 21.4 . 1 1349 . 201 THR N N 115.3 . 1 1350 . 201 THR H H 8.16 . 1 1351 . 201 THR CA C 63.9 . 1 1352 . 201 THR HA H 4.22 . 1 1353 . 201 THR CB C 69.3 . 1 1354 . 201 THR HB H 4.24 . 1 1355 . 201 THR HG2 H 1.24 . 1 1356 . 201 THR CG2 C 21.5 . 1 1357 . 202 THR N N 115.0 . 1 1358 . 202 THR H H 8.01 . 1 1359 . 202 THR CA C 63.8 . 1 1360 . 202 THR HA H 4.18 . 1 1361 . 202 THR CB C 68.7 . 1 1362 . 202 THR HB H 4.15 . 1 1363 . 202 THR HG2 H 0.99 . 1 1364 . 202 THR CG2 C 21.3 . 1 1365 . 203 THR N N 116.5 . 1 1366 . 203 THR H H 8.16 . 1 1367 . 203 THR CA C 63.9 . 1 1368 . 203 THR HA H 4.38 . 1 1369 . 203 THR CB C 69.1 . 1 1370 . 203 THR HB H 4.33 . 1 1371 . 203 THR HG2 H 1.26 . 1 1372 . 203 THR CG2 C 21.4 . 1 1373 . 204 THR N N 116.3 . 1 1374 . 204 THR H H 7.98 . 1 1375 . 204 THR CA C 63.4 . 1 1376 . 204 THR HA H 4.22 . 1 1377 . 204 THR CB C 69.0 . 1 1378 . 204 THR HB H 4.25 . 1 1379 . 204 THR HG2 H 1.25 . 1 1380 . 204 THR CG2 C 21.4 . 1 1381 . 205 LYS N N 121.2 . 1 1382 . 205 LYS H H 7.86 . 1 1383 . 205 LYS CA C 56.1 . 1 1384 . 205 LYS HA H 4.30 . 1 1385 . 205 LYS CB C 32.3 . 1 1386 . 205 LYS HB2 H 1.81 . 1 1387 . 205 LYS HB3 H 1.93 . 1 1388 . 205 LYS CG C 24.8 . 1 1389 . 205 LYS HG2 H 1.41 . 2 1390 . 205 LYS HG3 H 1.47 . 2 1391 . 205 LYS CD C 28.9 . 1 1392 . 205 LYS HD2 H 1.64 . 1 1393 . 205 LYS HD3 H 1.64 . 1 1394 . 205 LYS CE C 41.7 . 1 1395 . 205 LYS HE2 H 2.94 . 1 1396 . 205 LYS HE3 H 2.94 . 1 1397 . 206 GLY N N 108.6 . 1 1398 . 206 GLY H H 8.14 . 1 1399 . 206 GLY CA C 45.0 . 1 1400 . 206 GLY HA2 H 4.07 . 2 1401 . 206 GLY HA3 H 3.82 . 2 1402 . 207 GLU N N 120.0 . 1 1403 . 207 GLU H H 7.73 . 1 1404 . 207 GLU CA C 55.5 . 1 1405 . 207 GLU HA H 4.22 . 1 1406 . 207 GLU CB C 30.4 . 1 1407 . 207 GLU HB2 H 1.58 . 1 1408 . 207 GLU HB3 H 1.58 . 1 1409 . 207 GLU CG C 35.4 . 1 1410 . 207 GLU HG2 H 2.02 . 2 1411 . 207 GLU HG3 H 2.08 . 2 1412 . 208 ASN N N 119.4 . 1 1413 . 208 ASN H H 8.45 . 1 1414 . 208 ASN CA C 52.6 . 1 1415 . 208 ASN HA H 4.65 . 1 1416 . 208 ASN CB C 40.0 . 1 1417 . 208 ASN HB2 H 2.65 . 1 1418 . 208 ASN HB3 H 2.58 . 1 1419 . 208 ASN ND2 N 113.1 . 1 1420 . 208 ASN HD21 H 7.55 . 1 1421 . 208 ASN HD22 H 6.84 . 1 1422 . 209 PHE N N 121.6 . 1 1423 . 209 PHE H H 8.68 . 1 1424 . 209 PHE CA C 56.6 . 1 1425 . 209 PHE HA H 5.25 . 1 1426 . 209 PHE CB C 40.0 . 1 1427 . 209 PHE HB2 H 2.94 . 2 1428 . 209 PHE HB3 H 3.14 . 2 1429 . 209 PHE HD1 H 7.33 . 1 1430 . 209 PHE HD2 H 7.33 . 1 1431 . 209 PHE HE1 H 7.44 . 1 1432 . 209 PHE HE2 H 7.44 . 1 1433 . 210 THR N N 115.6 . 1 1434 . 210 THR H H 9.53 . 1 1435 . 210 THR CA C 60.2 . 1 1436 . 210 THR HA H 4.59 . 1 1437 . 210 THR CB C 71.8 . 1 1438 . 210 THR HB H 4.80 . 1 1439 . 210 THR HG2 H 1.40 . 1 1440 . 210 THR CG2 C 21.5 . 1 1441 . 211 GLU N N 119.7 . 1 1442 . 211 GLU H H 9.14 . 1 1443 . 211 GLU CA C 59.6 . 1 1444 . 211 GLU HA H 4.04 . 1 1445 . 211 GLU CB C 28.5 . 1 1446 . 211 GLU HB2 H 2.06 . 2 1447 . 211 GLU HB3 H 2.10 . 2 1448 . 211 GLU CG C 35.2 . 1 1449 . 211 GLU HG2 H 2.40 . 2 1450 . 211 GLU HG3 H 2.35 . 2 1451 . 212 THR N N 115.9 . 1 1452 . 212 THR H H 7.99 . 1 1453 . 212 THR CA C 66.7 . 1 1454 . 212 THR HA H 3.77 . 1 1455 . 212 THR CB C 68.4 . 1 1456 . 212 THR HB H 3.72 . 1 1457 . 212 THR HG2 H 0.72 . 1 1458 . 212 THR CG2 C 20.8 . 1 1459 . 213 ASP N N 120.0 . 1 1460 . 213 ASP H H 7.54 . 1 1461 . 213 ASP CA C 57.8 . 1 1462 . 213 ASP HA H 4.57 . 1 1463 . 213 ASP CB C 41.7 . 1 1464 . 213 ASP HB2 H 3.36 . 1 1465 . 213 ASP HB3 H 2.60 . 1 1466 . 214 ILE N N 119.4 . 1 1467 . 214 ILE H H 8.23 . 1 1468 . 214 ILE CA C 64.7 . 1 1469 . 214 ILE HA H 3.36 . 1 1470 . 214 ILE CB C 36.5 . 1 1471 . 214 ILE HB H 1.93 . 1 1472 . 214 ILE HG2 H 0.79 . 1 1473 . 214 ILE CG2 C 16.8 . 1 1474 . 214 ILE CG1 C 28.4 . 1 1475 . 214 ILE HG12 H 1.20 . 2 1476 . 214 ILE HG13 H 1.52 . 2 1477 . 214 ILE HD1 H 0.69 . 1 1478 . 214 ILE CD1 C 11.1 . 1 1479 . 215 LYS N N 119.4 . 1 1480 . 215 LYS H H 7.82 . 1 1481 . 215 LYS CA C 59.3 . 1 1482 . 215 LYS HA H 4.03 . 1 1483 . 215 LYS CB C 31.8 . 1 1484 . 215 LYS HB2 H 1.94 . 2 1485 . 215 LYS HB3 H 1.88 . 2 1486 . 215 LYS CG C 25.1 . 1 1487 . 215 LYS HG2 H 1.61 . 2 1488 . 215 LYS HG3 H 1.43 . 2 1489 . 215 LYS CD C 28.8 . 1 1490 . 215 LYS HD2 H 1.67 . 1 1491 . 215 LYS HD3 H 1.67 . 1 1492 . 215 LYS CE C 41.7 . 1 1493 . 215 LYS HE2 H 2.90 . 1 1494 . 215 LYS HE3 H 2.90 . 1 1495 . 216 MET N N 118.8 . 1 1496 . 216 MET H H 8.27 . 1 1497 . 216 MET CA C 59.8 . 1 1498 . 216 MET HA H 4.10 . 1 1499 . 216 MET CB C 32.4 . 1 1500 . 216 MET HB2 H 2.27 . 2 1501 . 216 MET HB3 H 1.93 . 2 1502 . 216 MET CG C 34.1 . 1 1503 . 216 MET HG2 H 2.11 . 1 1504 . 216 MET HG3 H 2.88 . 1 1505 . 216 MET HE H 1.47 . 1 1506 . 216 MET CE C 17.9 . 1 1507 . 217 MET N N 118.8 . 1 1508 . 217 MET H H 8.80 . 1 1509 . 217 MET CA C 59.5 . 1 1510 . 217 MET HA H 3.50 . 1 1511 . 217 MET CB C 33.4 . 1 1512 . 217 MET HB2 H 1.68 . 2 1513 . 217 MET HB3 H 1.82 . 2 1514 . 217 MET CG C 31.9 . 1 1515 . 217 MET HG2 H 1.89 . 2 1516 . 217 MET HG3 H 1.82 . 2 1517 . 217 MET HE H 1.35 . 1 1518 . 217 MET CE C 16.0 . 1 1519 . 218 GLU N N 117.8 . 1 1520 . 218 GLU H H 8.55 . 1 1521 . 218 GLU CA C 60.4 . 1 1522 . 218 GLU HA H 3.60 . 1 1523 . 218 GLU CB C 28.0 . 1 1524 . 218 GLU HB2 H 2.22 . 1 1525 . 218 GLU HB3 H 2.01 . 1 1526 . 218 GLU CG C 35.1 . 1 1527 . 218 GLU HG2 H 2.60 . 1 1528 . 218 GLU HG3 H 2.20 . 1 1529 . 219 ARG N N 117.8 . 1 1530 . 219 ARG H H 7.41 . 1 1531 . 219 ARG CA C 58.4 . 1 1532 . 219 ARG HA H 4.17 . 1 1533 . 219 ARG CB C 29.7 . 1 1534 . 219 ARG HB2 H 2.08 . 1 1535 . 219 ARG HB3 H 1.95 . 1 1536 . 219 ARG CG C 26.7 . 1 1537 . 219 ARG HG2 H 1.81 . 2 1538 . 219 ARG HG3 H 1.70 . 2 1539 . 219 ARG CD C 42.4 . 1 1540 . 219 ARG HD2 H 3.10 . 2 1541 . 219 ARG HD3 H 3.22 . 2 1542 . 219 ARG NE N 83.5 . 1 1543 . 219 ARG HE H 7.26 . 1 1544 . 219 ARG HH11 H 6.67 . 2 1545 . 219 ARG HH12 H 6.74 . 2 1546 . 219 ARG HH21 H 6.52 . 2 1547 . 219 ARG HH22 H 6.58 . 2 1548 . 220 VAL N N 119.4 . 1 1549 . 220 VAL H H 8.29 . 1 1550 . 220 VAL CA C 65.6 . 1 1551 . 220 VAL HA H 3.80 . 1 1552 . 220 VAL CB C 31.9 . 1 1553 . 220 VAL HB H 2.34 . 1 1554 . 220 VAL HG1 H 1.27 . 1 1555 . 220 VAL HG2 H 1.30 . 1 1556 . 220 VAL CG1 C 20.7 . 1 1557 . 220 VAL CG2 C 24.0 . 1 1558 . 221 VAL N N 121.2 . 1 1559 . 221 VAL H H 9.02 . 1 1560 . 221 VAL CA C 66.3 . 1 1561 . 221 VAL HA H 3.62 . 1 1562 . 221 VAL CB C 30.8 . 1 1563 . 221 VAL HB H 2.20 . 1 1564 . 221 VAL HG1 H 1.19 . 1 1565 . 221 VAL HG2 H 0.90 . 1 1566 . 221 VAL CG1 C 25.0 . 1 1567 . 221 VAL CG2 C 24.4 . 1 1568 . 222 GLU N N 120.9 . 1 1569 . 222 GLU H H 8.20 . 1 1570 . 222 GLU CA C 60.9 . 1 1571 . 222 GLU HA H 3.55 . 1 1572 . 222 GLU CB C 28.7 . 1 1573 . 222 GLU HB2 H 2.18 . 1 1574 . 222 GLU HB3 H 2.18 . 1 1575 . 222 GLU CG C 35.5 . 1 1576 . 222 GLU HG2 H 2.09 . 1 1577 . 222 GLU HG3 H 2.09 . 1 1578 . 223 GLN N N 114.7 . 1 1579 . 223 GLN H H 7.12 . 1 1580 . 223 GLN CA C 58.6 . 1 1581 . 223 GLN HA H 3.94 . 1 1582 . 223 GLN CB C 27.6 . 1 1583 . 223 GLN HB2 H 2.10 . 1 1584 . 223 GLN HB3 H 2.20 . 1 1585 . 223 GLN CG C 33.4 . 1 1586 . 223 GLN HG2 H 2.43 . 1 1587 . 223 GLN HG3 H 2.39 . 1 1588 . 223 GLN NE2 N 113.4 . 1 1589 . 223 GLN HE21 H 7.61 . 1 1590 . 223 GLN HE22 H 6.91 . 1 1591 . 224 MET N N 119.4 . 1 1592 . 224 MET H H 8.17 . 1 1593 . 224 MET CA C 59.6 . 1 1594 . 224 MET HA H 4.13 . 1 1595 . 224 MET CB C 34.0 . 1 1596 . 224 MET HB2 H 2.12 . 1 1597 . 224 MET HB3 H 2.12 . 1 1598 . 224 MET CG C 32.1 . 1 1599 . 224 MET HG2 H 2.78 . 2 1600 . 224 MET HG3 H 2.45 . 2 1601 . 224 MET HE H 1.86 . 1 1602 . 224 MET CE C 16.5 . 1 1603 . 225 CYS N N 119.4 . 1 1604 . 225 CYS H H 9.35 . 1 1605 . 225 CYS CA C 59.8 . 1 1606 . 225 CYS HA H 4.36 . 1 1607 . 225 CYS CB C 42.0 . 1 1608 . 225 CYS HB2 H 3.54 . 2 1609 . 225 CYS HB3 H 2.83 . 2 1610 . 226 ILE N N 123.7 . 1 1611 . 226 ILE H H 8.25 . 1 1612 . 226 ILE CA C 66.6 . 1 1613 . 226 ILE HA H 3.47 . 1 1614 . 226 ILE CB C 38.1 . 1 1615 . 226 ILE HB H 1.98 . 1 1616 . 226 ILE HG2 H 0.84 . 1 1617 . 226 ILE CG2 C 16.8 . 1 1618 . 226 ILE CG1 C 30.7 . 1 1619 . 226 ILE HG12 H 0.82 . 1 1620 . 226 ILE HG13 H 1.97 . 1 1621 . 226 ILE HD1 H 0.82 . 1 1622 . 226 ILE CD1 C 13.8 . 1 1623 . 227 THR N N 118.4 . 1 1624 . 227 THR H H 8.06 . 1 1625 . 227 THR CA C 66.8 . 1 1626 . 227 THR HA H 3.87 . 1 1627 . 227 THR CB C 68.1 . 1 1628 . 227 THR HB H 4.29 . 1 1629 . 227 THR HG2 H 1.18 . 1 1630 . 227 THR CG2 C 21.9 . 1 1631 . 228 GLN N N 122.5 . 1 1632 . 228 GLN H H 8.84 . 1 1633 . 228 GLN CA C 58.5 . 1 1634 . 228 GLN HA H 3.58 . 1 1635 . 228 GLN CB C 28.0 . 1 1636 . 228 GLN HB2 H 2.28 . 2 1637 . 228 GLN HB3 H 2.05 . 2 1638 . 228 GLN CG C 32.3 . 1 1639 . 228 GLN HG2 H 1.72 . 2 1640 . 228 GLN HG3 H 1.59 . 2 1641 . 228 GLN NE2 N 115.0 . 1 1642 . 228 GLN HE21 H 7.36 . 1 1643 . 228 GLN HE22 H 6.67 . 1 1644 . 229 TYR N N 120.7 . 1 1645 . 229 TYR H H 8.57 . 1 1646 . 229 TYR CA C 61.6 . 1 1647 . 229 TYR HA H 2.87 . 1 1648 . 229 TYR CB C 37.0 . 1 1649 . 229 TYR HB2 H 2.99 . 2 1650 . 229 TYR HB3 H 2.65 . 2 1651 . 229 TYR HD1 H 6.13 . 1 1652 . 229 TYR HD2 H 6.13 . 1 1653 . 229 TYR HE1 H 6.53 . 1 1654 . 229 TYR HE2 H 6.53 . 1 1655 . 230 GLN N N 120.0 . 1 1656 . 230 GLN H H 8.20 . 1 1657 . 230 GLN CA C 58.9 . 1 1658 . 230 GLN HA H 3.69 . 1 1659 . 230 GLN CB C 27.3 . 1 1660 . 230 GLN HB2 H 2.32 . 2 1661 . 230 GLN HB3 H 2.04 . 2 1662 . 230 GLN CG C 33.6 . 1 1663 . 230 GLN HG2 H 2.42 . 2 1664 . 230 GLN HG3 H 2.66 . 2 1665 . 230 GLN NE2 N 111.0 . 1 1666 . 230 GLN HE21 H 7.41 . 1 1667 . 230 GLN HE22 H 6.82 . 1 1668 . 231 ARG N N 119.1 . 1 1669 . 231 ARG H H 8.10 . 1 1670 . 231 ARG CA C 58.8 . 1 1671 . 231 ARG HA H 3.93 . 1 1672 . 231 ARG CB C 30.2 . 1 1673 . 231 ARG HB2 H 1.88 . 2 1674 . 231 ARG HB3 H 1.80 . 2 1675 . 231 ARG CG C 26.9 . 1 1676 . 231 ARG HG2 H 1.55 . 2 1677 . 231 ARG HG3 H 1.79 . 2 1678 . 231 ARG CD C 43.8 . 1 1679 . 231 ARG HD2 H 2.89 . 2 1680 . 231 ARG HD3 H 3.02 . 2 1681 . 231 ARG NE N 84.1 . 1 1682 . 231 ARG HE H 7.21 . 1 1683 . 231 ARG HH11 H 6.84 . 2 1684 . 231 ARG HH21 H 6.51 . 2 1685 . 232 GLU N N 117.2 . 1 1686 . 232 GLU H H 8.29 . 1 1687 . 232 GLU CA C 57.3 . 1 1688 . 232 GLU HA H 4.02 . 1 1689 . 232 GLU CB C 29.4 . 1 1690 . 232 GLU HB2 H 1.58 . 2 1691 . 232 GLU HB3 H 2.15 . 2 1692 . 232 GLU CG C 35.9 . 1 1693 . 232 GLU HG2 H 2.39 . 2 1694 . 232 GLU HG3 H 2.13 . 2 1695 . 233 SER N N 115.0 . 1 1696 . 233 SER H H 8.28 . 1 1697 . 233 SER CA C 60.7 . 1 1698 . 233 SER HA H 3.94 . 1 1699 . 233 SER CB C 62.4 . 1 1700 . 233 SER HB2 H 3.56 . 2 1701 . 233 SER HB3 H 3.33 . 2 1702 . 234 GLN N N 120.3 . 1 1703 . 234 GLN H H 7.66 . 1 1704 . 234 GLN CA C 57.7 . 1 1705 . 234 GLN HA H 4.09 . 1 1706 . 234 GLN CB C 28.0 . 1 1707 . 234 GLN HB2 H 2.06 . 1 1708 . 234 GLN HB3 H 2.06 . 1 1709 . 234 GLN CG C 33.8 . 1 1710 . 234 GLN HG2 H 2.42 . 2 1711 . 234 GLN HG3 H 2.34 . 2 1712 . 234 GLN NE2 N 111.5 . 1 1713 . 234 GLN HE21 H 7.46 . 1 1714 . 234 GLN HE22 H 6.81 . 1 1715 . 235 ALA N N 120.9 . 1 1716 . 235 ALA H H 7.63 . 1 1717 . 235 ALA CA C 53.5 . 1 1718 . 235 ALA HA H 4.13 . 1 1719 . 235 ALA HB H 1.34 . 1 1720 . 235 ALA CB C 18.3 . 1 1721 . 236 TYR N N 118.4 . 1 1722 . 236 TYR H H 7.92 . 1 1723 . 236 TYR CA C 59.6 . 1 1724 . 236 TYR HA H 4.20 . 1 1725 . 236 TYR CB C 38.6 . 1 1726 . 236 TYR HB2 H 2.90 . 2 1727 . 236 TYR HB3 H 2.77 . 2 1728 . 236 TYR HD1 H 6.73 . 1 1729 . 236 TYR HD2 H 6.73 . 1 1730 . 236 TYR HE1 H 6.69 . 1 1731 . 236 TYR HE2 H 6.69 . 1 1732 . 237 TYR N N 118.8 . 1 1733 . 237 TYR H H 7.88 . 1 1734 . 237 TYR CA C 58.7 . 1 1735 . 237 TYR HA H 4.34 . 1 1736 . 237 TYR CB C 38.1 . 1 1737 . 237 TYR HB2 H 3.07 . 2 1738 . 237 TYR HB3 H 2.90 . 2 1739 . 237 TYR HD1 H 7.15 . 1 1740 . 237 TYR HD2 H 7.15 . 1 1741 . 237 TYR HE1 H 6.83 . 1 1742 . 237 TYR HE2 H 6.83 . 1 1743 . 238 GLN N N 120.0 . 1 1744 . 238 GLN H H 7.92 . 1 1745 . 238 GLN CA C 55.9 . 1 1746 . 238 GLN HA H 4.19 . 1 1747 . 238 GLN CB C 28.7 . 1 1748 . 238 GLN HB2 H 1.98 . 2 1749 . 238 GLN HB3 H 2.08 . 2 1750 . 238 GLN CG C 33.6 . 1 1751 . 238 GLN HG2 H 2.30 . 1 1752 . 238 GLN HG3 H 2.30 . 1 1753 . 238 GLN NE2 N 111.9 . 1 1754 . 238 GLN HE21 H 7.48 . 1 1755 . 238 GLN HE22 H 6.84 . 1 1756 . 239 ARG N N 120.9 . 1 1757 . 239 ARG H H 8.01 . 1 1758 . 239 ARG CA C 56.0 . 1 1759 . 239 ARG HA H 4.23 . 1 1760 . 239 ARG CB C 30.5 . 1 1761 . 239 ARG HB2 H 1.75 . 1 1762 . 239 ARG HB3 H 1.82 . 1 1763 . 239 ARG CG C 26.9 . 1 1764 . 239 ARG HG2 H 1.60 . 1 1765 . 239 ARG HG3 H 1.60 . 1 1766 . 239 ARG CD C 43.1 . 1 1767 . 239 ARG HD2 H 3.10 . 1 1768 . 239 ARG HD3 H 3.10 . 1 1769 . 239 ARG NE N 84.7 . 1 1770 . 239 ARG HE H 7.16 . 1 1771 . 239 ARG HH21 H 6.62 . 2 1772 . 240 GLY N N 110.0 . 1 1773 . 240 GLY H H 8.31 . 1 1774 . 240 GLY CA C 44.9 . 1 1775 . 240 GLY HA2 H 3.88 . 1 1776 . 240 GLY HA3 H 3.88 . 1 1777 . 241 ALA N N 128.8 . 1 1778 . 241 ALA H H 7.83 . 1 1779 . 241 ALA CA C 53.4 . 1 1780 . 241 ALA HA H 4.09 . 1 1781 . 241 ALA HB H 1.28 . 1 1782 . 241 ALA CB C 19.9 . 1 stop_ save_