data_4434 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR Solution Structure of the Human Prion Protein ; _BMRB_accession_number 4434 _BMRB_flat_file_name bmr4434.str _Entry_type original _Submission_date 1999-10-06 _Accession_date 1999-10-06 _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 Zahn Ralph . . 2 Aizhuo Liu . . 3 Luhrs Thorsten . . 4 Calzolai Luigi . . 5 'von Schroetter' Christine . . 6 'Lopez Garcia' Francisco . . 7 Riek Roland . . 8 Wider Gerhard . . 9 Billeter Martin . . 10 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" 834 "13C chemical shifts" 441 "15N chemical shifts" 160 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2000-02-01 original author . stop_ loop_ _Related_BMRB_accession_number _Relationship 4402 'human prion protein hPrP(23-230)' stop_ _Original_release_date 2000-02-01 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'NMR Solution Structure of the Human Prion Protein' _Citation_status published _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 Zahn Ralph . . 2 Liu Aizhuo . . 3 Luhrs Thorsten . . 4 Riek Roland . . 5 'von Schroetter' Christine . . 6 'Lopez Garcia' Francisco . . 7 Billeter Martin . . 8 Calzolai Luigi . . 9 Wider Gerhard . . 10 Wuthrich Kurt . . stop_ _Journal_abbreviation 'Proc. Natl. Acad. Sci. U. S. A.' _Journal_volume 97 _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 145 _Page_last 150 _Year 2000 _Details . save_ ################################## # Molecular system description # ################################## save_hPrP(90-230) _Saveframe_category molecular_system _Mol_system_name 'Human prion protein fragment 90-230' _Abbreviation_common hPrP(90-230) _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label hPrP(90-230) $hPrP stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'all disulfide bound' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_hPrP _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'human prion protein' _Abbreviation_common hPrP _Molecular_mass 16061 _Mol_thiol_state 'all disulfide bound' _Details 'The N-terminal two residues (GS) are a cloning artefact.' ############################## # Polymer residue sequence # ############################## _Residue_count 143 _Mol_residue_sequence ; GSGQGGGTHSQWNKPSKPKT NMKHMAGAAAAGAVVGGLGG YMLGSAMSRPIIHFGSDYED RYYRENMHRYPNQVYYRPMD EYSNQNNFVHDCVNITIKQH TVTTTTKGENFTETDVKMME RVVEQMCITQYERESQAYYQ RGS ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 88 GLY 2 89 SER 3 90 GLY 4 91 GLN 5 92 GLY 6 93 GLY 7 94 GLY 8 95 THR 9 96 HIS 10 97 SER 11 98 GLN 12 99 TRP 13 100 ASN 14 101 LYS 15 102 PRO 16 103 SER 17 104 LYS 18 105 PRO 19 106 LYS 20 107 THR 21 108 ASN 22 109 MET 23 110 LYS 24 111 HIS 25 112 MET 26 113 ALA 27 114 GLY 28 115 ALA 29 116 ALA 30 117 ALA 31 118 ALA 32 119 GLY 33 120 ALA 34 121 VAL 35 122 VAL 36 123 GLY 37 124 GLY 38 125 LEU 39 126 GLY 40 127 GLY 41 128 TYR 42 129 MET 43 130 LEU 44 131 GLY 45 132 SER 46 133 ALA 47 134 MET 48 135 SER 49 136 ARG 50 137 PRO 51 138 ILE 52 139 ILE 53 140 HIS 54 141 PHE 55 142 GLY 56 143 SER 57 144 ASP 58 145 TYR 59 146 GLU 60 147 ASP 61 148 ARG 62 149 TYR 63 150 TYR 64 151 ARG 65 152 GLU 66 153 ASN 67 154 MET 68 155 HIS 69 156 ARG 70 157 TYR 71 158 PRO 72 159 ASN 73 160 GLN 74 161 VAL 75 162 TYR 76 163 TYR 77 164 ARG 78 165 PRO 79 166 MET 80 167 ASP 81 168 GLU 82 169 TYR 83 170 SER 84 171 ASN 85 172 GLN 86 173 ASN 87 174 ASN 88 175 PHE 89 176 VAL 90 177 HIS 91 178 ASP 92 179 CYS 93 180 VAL 94 181 ASN 95 182 ILE 96 183 THR 97 184 ILE 98 185 LYS 99 186 GLN 100 187 HIS 101 188 THR 102 189 VAL 103 190 THR 104 191 THR 105 192 THR 106 193 THR 107 194 LYS 108 195 GLY 109 196 GLU 110 197 ASN 111 198 PHE 112 199 THR 113 200 GLU 114 201 THR 115 202 ASP 116 203 VAL 117 204 LYS 118 205 MET 119 206 MET 120 207 GLU 121 208 ARG 122 209 VAL 123 210 VAL 124 211 GLU 125 212 GLN 126 213 MET 127 214 CYS 128 215 ILE 129 216 THR 130 217 GLN 131 218 TYR 132 219 GLU 133 220 ARG 134 221 GLU 135 222 SER 136 223 GLN 137 224 ALA 138 225 TYR 139 226 TYR 140 227 GLN 141 228 ARG 142 229 GLY 143 230 SER stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-08-04 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 BMRB 15676 V129/D178N_prion_protein 98.60 146 98.58 100.00 1.26e-99 BMRB 16743 "HuPrP(90-231 M129 Q212P)" 98.60 148 99.29 99.29 6.46e-100 BMRB 16757 PrP^(91-231) 98.60 145 97.87 100.00 4.04e-99 BMRB 17714 HuPrP 98.60 147 99.29 100.00 6.72e-101 BMRB 17756 hPrP(121-230) 76.92 113 100.00 100.00 1.93e-75 BMRB 17757 hPrP(121-230) 76.92 113 98.18 98.18 1.20e-72 BMRB 17780 Hpp_E219K 98.60 142 99.29 100.00 1.18e-100 BMRB 18426 entity 98.60 142 100.00 100.00 3.29e-101 BMRB 18550 V210I 98.60 147 99.29 100.00 6.72e-101 BMRB 19268 MAJOR_PRION_PROTEIN 98.60 146 99.29 100.00 1.80e-100 BMRB 4379 "human prion protein" 78.32 112 99.11 100.00 9.74e-77 BMRB 4402 "human prion protein" 100.00 210 99.30 99.30 3.37e-100 BMRB 4620 "prion protein" 78.32 112 98.21 100.00 2.46e-76 BMRB 4641 "PRION PROTEIN" 98.60 146 99.29 100.00 1.46e-100 BMRB 4736 "human prion protein" 78.32 112 98.21 100.00 3.61e-76 PDB 1E1G "Human Prion Protein Variant M166v" 72.03 104 99.03 100.00 8.64e-70 PDB 1E1J "Human Prion Protein Variant M166v" 72.03 104 99.03 100.00 8.64e-70 PDB 1E1P "Human Prion Protein Variant S170n" 72.03 104 99.03 100.00 7.34e-70 PDB 1E1S "Human Prion Protein Variant S170n" 72.03 104 99.03 100.00 7.34e-70 PDB 1E1U "Human Prion Protein Variant R220k" 72.03 104 99.03 100.00 5.12e-70 PDB 1E1W "Human Prion Protein Variant R220k" 72.03 104 99.03 100.00 5.12e-70 PDB 1FKC "Human Prion Protein (Mutant E200k) Fragment 90-231" 98.60 142 99.29 100.00 1.18e-100 PDB 1FO7 "Human Prion Protein Mutant E200k Fragment 90-231" 98.60 142 99.29 100.00 1.18e-100 PDB 1H0L "Human Prion Protein 121-230 M166c/e221c" 77.62 112 97.30 98.20 1.04e-73 PDB 1HJM "Human Prion Protein At Ph 7.0" 72.03 104 100.00 100.00 1.88e-70 PDB 1HJN "Human Prion Protein At Ph 7.0" 72.03 104 100.00 100.00 1.88e-70 PDB 1I4M "Crystal Structure Of The Human Prion Protein Reveals A Mechanism For Oligomerization" 75.52 108 100.00 100.00 3.39e-74 PDB 1QLX "Human Prion Protein" 100.00 210 99.30 99.30 3.37e-100 PDB 1QLZ "Human Prion Protein" 100.00 210 99.30 99.30 3.37e-100 PDB 1QM0 "Human Prion Protein Fragment 90-230" 100.00 143 100.00 100.00 1.37e-102 PDB 1QM1 "Human Prion Protein Fragment 90-230" 100.00 143 100.00 100.00 1.37e-102 PDB 1QM2 "Human Prion Protein Fragment 121-230" 78.32 112 99.11 100.00 9.74e-77 PDB 1QM3 "Human Prion Protein Fragment 121-230" 78.32 112 99.11 100.00 9.74e-77 PDB 2K1D "Nmr Studies Of A Pathogenic Mutant (d178n) Of The Human Prion Protein" 98.60 146 98.58 100.00 1.26e-99 PDB 2KUN "Three Dimensional Structure Of Huprp(90-231 M129 Q212p)" 98.60 148 99.29 99.29 6.46e-100 PDB 2LEJ "Human Prion Protein Mutant Huprp(90-231, M129, V210i)" 98.60 147 99.29 100.00 6.72e-101 PDB 2LFT "Human Prion Protein With E219k Protective Polymorphism" 98.60 142 99.29 100.00 1.18e-100 PDB 2LSB "Solution-State Nmr Structure Of The Human Prion Protein" 98.60 142 100.00 100.00 3.29e-101 PDB 2LV1 "Solution-state Nmr Structure Of Prion Protein Mutant V210i At Neutral Ph" 98.60 147 99.29 100.00 6.72e-101 PDB 2M8T "Solution Nmr Structure Of The V209m Variant Of The Human Prion Protein (residues 90-231)" 98.60 146 99.29 100.00 1.80e-100 PDB 2W9E "Structure Of Icsm 18 (Anti-Prp Therapeutic Antibody) Fab Fragment Complexed With Human Prp Fragment 119-231" 78.32 113 100.00 100.00 2.52e-77 PDB 3HAF "Human Prion Protein Variant V129 Domain Swapped Dimer" 98.60 142 99.29 100.00 1.64e-100 PDB 3HAK "Human Prion Protein Variant V129" 72.03 103 99.03 100.00 6.81e-70 PDB 3HEQ "Human Prion Protein Variant D178n With M129" 98.60 142 99.29 100.00 1.79e-100 PDB 3HER "Human Prion Protein Variant F198s With V129" 98.60 142 98.58 99.29 2.28e-99 PDB 3HES "Human Prion Protein Variant F198s With M129" 98.60 142 99.29 99.29 7.17e-100 PDB 3HJ5 "Human Prion Protein Variant V129 Domain Swapped Dimer" 98.60 142 99.29 100.00 1.64e-100 PDB 3HJX "Human Prion Protein Variant D178n With V129" 73.43 106 98.10 100.00 1.21e-70 PDB 4DGI "Structure Of Pom1 Fab Fragment Complexed With Human Prpc Fragment 120- 230" 77.62 111 100.00 100.00 1.70e-76 PDB 4KML "Probing The N-terminal Beta-sheet Conversion In The Crystal Structure Of The Full-length Human Prion Protein Bound To A Nanobod" 100.00 241 99.30 99.30 6.43e-100 PDB 4N9O "Probing The N-terminal Beta-sheet Conversion In The Crystal Structure Of The Human Prion Protein Bound To A Nanobody" 98.60 142 100.00 100.00 3.29e-101 DBJ BAA00011 "prion protein [Homo sapiens]" 100.00 245 98.60 98.60 4.05e-97 DBJ BAF62360 "prion protein, transcript variant 2 [Pan troglodytes verus]" 100.00 253 97.90 99.30 2.41e-98 DBJ BAG32276 "prion [Homo sapiens]" 100.00 253 99.30 99.30 1.50e-99 DBJ BAG32277 "prion [Homo sapiens]" 100.00 253 98.60 99.30 7.19e-99 DBJ BAG32278 "alternatively spliced variant form of prion [Homo sapiens]" 90.91 230 99.23 99.23 1.15e-89 EMBL CAA58442 "prion protein [Homo sapiens]" 100.00 245 99.30 99.30 1.02e-99 EMBL CAG46836 "PRNP [Homo sapiens]" 100.00 253 97.90 98.60 1.97e-96 EMBL CAG46869 "PRNP [Homo sapiens]" 100.00 253 98.60 99.30 7.19e-99 EMBL CAH92912 "hypothetical protein [Pongo abelii]" 95.10 253 97.06 100.00 1.20e-79 GB AAA19664 "prion protein [Homo sapiens]" 100.00 245 98.60 98.60 4.05e-97 GB AAA60182 "prion protein [Homo sapiens]" 100.00 253 99.30 99.30 1.50e-99 GB AAA68632 "major prion protein precursor [Pan troglodytes]" 100.00 253 97.90 99.30 2.41e-98 GB AAA68633 "major prion protein precursor [Gorilla gorilla]" 100.00 253 98.60 99.30 3.07e-99 GB AAB59442 "prion protein, partial [Homo sapiens]" 100.00 224 99.30 99.30 7.01e-100 REF NP_000302 "major prion protein preproprotein [Homo sapiens]" 100.00 253 99.30 99.30 1.50e-99 REF NP_001009093 "major prion protein preproprotein [Pan troglodytes]" 100.00 253 97.90 99.30 2.41e-98 REF NP_001073590 "major prion protein preproprotein [Homo sapiens]" 100.00 253 99.30 99.30 1.50e-99 REF NP_001073591 "major prion protein preproprotein [Homo sapiens]" 100.00 253 99.30 99.30 1.50e-99 REF NP_001073592 "major prion protein preproprotein [Homo sapiens]" 100.00 253 99.30 99.30 1.50e-99 SP P04156 "RecName: Full=Major prion protein; Short=PrP; AltName: Full=ASCR; AltName: Full=PrP27-30; AltName: Full=PrP33-35C; AltName: CD_" 100.00 253 99.30 99.30 1.50e-99 SP P40252 "RecName: Full=Major prion protein; Short=PrP; AltName: Full=PrP27-30; AltName: Full=PrP33-35C; AltName: CD_antigen=CD230; Flags" 100.00 253 98.60 99.30 4.55e-99 SP P40256 "RecName: Full=Major prion protein; Short=PrP; AltName: Full=PrP27-30; AltName: Full=PrP33-35C; AltName: CD_antigen=CD230; Flags" 95.10 253 97.06 100.00 1.20e-79 SP P61766 "RecName: Full=Major prion protein; Short=PrP; AltName: Full=PrP27-30; AltName: Full=PrP33-35C; AltName: CD_antigen=CD230; Flags" 100.00 253 97.90 99.30 2.41e-98 SP P61767 "RecName: Full=Major prion protein; Short=PrP; AltName: Full=PrP27-30; AltName: Full=PrP33-35C; AltName: CD_antigen=CD230; Flags" 100.00 253 97.90 99.30 2.41e-98 TPE CAJ43808 "TPA: prion protein PrP [Pongo abelii]" 95.10 253 97.06 100.00 1.20e-79 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $hPrP human 9606 Eukaryota metazoa homo sapiens 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 $hPrP '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 $hPrP 2.0 mM . stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $hPrP 2.0 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 $hPrP 2.0 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_spectrometer1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 600 _Details . save_ save_NMR_spectrometer2 _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_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_ ####################### # Sample conditions # ####################### save_Ex-cond_1 _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 'ionic strength' 0.01 0.001 M 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 H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 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_CSS _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '1H-1H-15N NOESY' '1H-1H-13C NOESY' 'HCCH COSY' 'HCCH TOCSY' HNCA HNCACB stop_ _Sample_conditions_label $Ex-cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name hPrP(90-230) _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 . 1 GLY CA C 43.0 . 1 2 . 1 GLY HA2 H 3.89 . 1 3 . 1 GLY HA3 H 3.89 . 1 4 . 2 SER N N 115.7 . 1 5 . 2 SER H H 8.73 . 1 6 . 2 SER CA C 58.0 . 1 7 . 2 SER HA H 4.39 . 1 8 . 2 SER CB C 63.4 . 1 9 . 2 SER HB2 H 3.89 . 1 10 . 2 SER HB3 H 3.89 . 1 11 . 3 GLY N N 111.1 . 1 12 . 3 GLY H H 8.61 . 1 13 . 3 GLY CA C 45.0 . 1 14 . 3 GLY HA2 H 3.96 . 1 15 . 3 GLY HA3 H 3.96 . 1 16 . 4 GLN N N 119.8 . 1 17 . 4 GLN H H 8.32 . 1 18 . 4 GLN CA C 55.5 . 1 19 . 4 GLN HA H 4.35 . 1 20 . 4 GLN CB C 29.2 . 1 21 . 4 GLN HB2 H 2.11 . 2 22 . 4 GLN HB3 H 1.96 . 2 23 . 4 GLN CG C 33.6 . 1 24 . 4 GLN HG2 H 2.33 . 1 25 . 4 GLN HG3 H 2.33 . 1 26 . 4 GLN NE2 N 112.0 . 1 27 . 4 GLN HE21 H 7.52 . 2 28 . 4 GLN HE22 H 6.85 . 2 29 . 5 GLY N N 110.4 . 1 30 . 5 GLY H H 8.55 . 1 31 . 5 GLY CA C 45.0 . 1 32 . 5 GLY HA2 H 3.93 . 1 33 . 5 GLY HA3 H 3.93 . 1 34 . 6 GLY N N 108.9 . 1 35 . 6 GLY H H 8.35 . 1 36 . 6 GLY CA C 44.7 . 1 37 . 6 GLY HA2 H 3.98 . 1 38 . 6 GLY HA3 H 3.98 . 1 39 . 7 GLY N N 108.8 . 1 40 . 7 GLY H H 8.35 . 1 41 . 7 GLY CA C 44.9 . 1 42 . 7 GLY HA2 H 3.95 . 1 43 . 7 GLY HA3 H 3.95 . 1 44 . 8 THR N N 113.3 . 1 45 . 8 THR H H 8.13 . 1 46 . 8 THR CA C 61.6 . 1 47 . 8 THR HA H 4.26 . 1 48 . 8 THR CB C 69.9 . 1 49 . 8 THR HB H 4.15 . 1 50 . 8 THR HG2 H 1.13 . 1 51 . 8 THR CG2 C 21.6 . 1 52 . 9 HIS N N 120.5 . 1 53 . 9 HIS H H 8.58 . 1 54 . 9 HIS CA C 55.0 . 1 55 . 9 HIS HA H 4.72 . 1 56 . 9 HIS CB C 28.4 . 1 57 . 9 HIS HB2 H 3.24 . 2 58 . 9 HIS HB3 H 3.13 . 2 59 . 9 HIS CD2 C 120.6 . 1 60 . 9 HIS HD2 H 7.24 . 1 61 . 10 SER N N 116.9 . 1 62 . 10 SER H H 8.32 . 1 63 . 10 SER CA C 58.1 . 1 64 . 10 SER HA H 4.40 . 1 65 . 10 SER CB C 63.3 . 1 66 . 10 SER HB2 H 3.81 . 1 67 . 10 SER HB3 H 3.81 . 1 68 . 11 GLN N N 122.1 . 1 69 . 11 GLN H H 8.48 . 1 70 . 11 GLN CA C 55.8 . 1 71 . 11 GLN HA H 4.27 . 1 72 . 11 GLN CB C 28.9 . 1 73 . 11 GLN HB2 H 1.85 . 2 74 . 11 GLN HB3 H 1.94 . 2 75 . 11 GLN CG C 33.2 . 1 76 . 11 GLN HG2 H 2.15 . 1 77 . 11 GLN HG3 H 2.15 . 1 78 . 11 GLN NE2 N 112.4 . 1 79 . 11 GLN HE21 H 7.41 . 2 80 . 11 GLN HE22 H 6.83 . 2 81 . 12 TRP N N 121.8 . 1 82 . 12 TRP H H 8.13 . 1 83 . 12 TRP CA C 56.8 . 1 84 . 12 TRP HA H 4.66 . 1 85 . 12 TRP CB C 29.4 . 1 86 . 12 TRP HB2 H 3.29 . 2 87 . 12 TRP HB3 H 3.18 . 2 88 . 12 TRP CD1 C 127.4 . 1 89 . 12 TRP CE3 C 121.2 . 1 90 . 12 TRP NE1 N 129.2 . 1 91 . 12 TRP HD1 H 7.23 . 1 92 . 12 TRP HE3 H 7.61 . 1 93 . 12 TRP CZ3 C 122.4 . 1 94 . 12 TRP CZ2 C 114.9 . 1 95 . 12 TRP HE1 H 10.10 . 1 96 . 12 TRP HZ3 H 7.13 . 1 97 . 12 TRP CH2 C 125.0 . 1 98 . 12 TRP HZ2 H 7.45 . 1 99 . 12 TRP HH2 H 7.21 . 1 100 . 13 ASN N N 120.6 . 1 101 . 13 ASN H H 8.12 . 1 102 . 13 ASN CA C 52.4 . 1 103 . 13 ASN HA H 4.58 . 1 104 . 13 ASN CB C 38.6 . 1 105 . 13 ASN HB2 H 2.53 . 1 106 . 13 ASN HB3 H 2.53 . 1 107 . 13 ASN ND2 N 111.7 . 1 108 . 13 ASN HD21 H 7.47 . 2 109 . 13 ASN HD22 H 6.84 . 2 110 . 14 LYS N N 122.6 . 1 111 . 14 LYS H H 8.00 . 1 112 . 14 LYS CA C 53.9 . 1 113 . 14 LYS HA H 4.42 . 1 114 . 14 LYS CB C 32.3 . 1 115 . 14 LYS HB2 H 1.74 . 2 116 . 14 LYS HB3 H 1.62 . 2 117 . 14 LYS CG C 24.4 . 1 118 . 14 LYS HG2 H 1.35 . 1 119 . 14 LYS HG3 H 1.35 . 1 120 . 14 LYS CD C 29.1 . 1 121 . 14 LYS HD2 H 1.65 . 1 122 . 14 LYS HD3 H 1.65 . 1 123 . 14 LYS CE C 41.7 . 1 124 . 14 LYS HE2 H 2.91 . 1 125 . 14 LYS HE3 H 2.91 . 1 126 . 15 PRO CD C 50.5 . 1 127 . 15 PRO CA C 63.1 . 1 128 . 15 PRO HA H 4.41 . 1 129 . 15 PRO CB C 32.1 . 1 130 . 15 PRO HB2 H 2.29 . 2 131 . 15 PRO HB3 H 1.90 . 2 132 . 15 PRO CG C 27.2 . 1 133 . 15 PRO HG2 H 1.98 . 1 134 . 15 PRO HG3 H 1.98 . 1 135 . 15 PRO HD2 H 3.76 . 2 136 . 15 PRO HD3 H 3.62 . 2 137 . 16 SER N N 116.8 . 1 138 . 16 SER H H 8.43 . 1 139 . 16 SER CA C 57.7 . 1 140 . 16 SER HA H 4.40 . 1 141 . 16 SER CB C 63.7 . 1 142 . 16 SER HB2 H 3.82 . 1 143 . 16 SER HB3 H 3.82 . 1 144 . 17 LYS N N 124.1 . 1 145 . 17 LYS H H 8.34 . 1 146 . 17 LYS CA C 54.1 . 1 147 . 17 LYS HA H 4.62 . 1 148 . 17 LYS CB C 32.3 . 1 149 . 17 LYS HB2 H 1.72 . 2 150 . 17 LYS HB3 H 1.81 . 2 151 . 17 LYS CG C 24.7 . 1 152 . 17 LYS HG2 H 1.45 . 1 153 . 17 LYS HG3 H 1.45 . 1 154 . 17 LYS CD C 29.1 . 1 155 . 17 LYS HD2 H 1.60 . 1 156 . 17 LYS HD3 H 1.60 . 1 157 . 17 LYS CE C 41.9 . 1 158 . 17 LYS HE2 H 2.89 . 1 159 . 17 LYS HE3 H 2.89 . 1 160 . 18 PRO CD C 50.7 . 1 161 . 18 PRO CA C 63.4 . 1 162 . 18 PRO HA H 4.37 . 1 163 . 18 PRO CB C 32.1 . 1 164 . 18 PRO HB2 H 2.28 . 2 165 . 18 PRO HB3 H 1.94 . 2 166 . 18 PRO CG C 27.2 . 1 167 . 18 PRO HG2 H 2.01 . 1 168 . 18 PRO HG3 H 2.01 . 1 169 . 18 PRO HD2 H 3.80 . 2 170 . 18 PRO HD3 H 3.62 . 2 171 . 19 LYS N N 122.0 . 1 172 . 19 LYS H H 8.53 . 1 173 . 19 LYS CA C 54.1 . 1 174 . 19 LYS HA H 4.62 . 1 175 . 19 LYS CB C 32.7 . 1 176 . 19 LYS HB2 H 1.82 . 2 177 . 19 LYS HB3 H 1.72 . 2 178 . 19 LYS CG C 25.0 . 1 179 . 19 LYS HG2 H 1.44 . 1 180 . 19 LYS HG3 H 1.44 . 1 181 . 19 LYS CD C 29.1 . 1 182 . 19 LYS HD2 H 1.69 . 1 183 . 19 LYS HD3 H 1.69 . 1 184 . 19 LYS CE C 41.7 . 1 185 . 19 LYS HE2 H 2.98 . 1 186 . 19 LYS HE3 H 2.98 . 1 187 . 20 THR N N 115.2 . 1 188 . 20 THR H H 8.14 . 1 189 . 20 THR CA C 61.2 . 1 190 . 20 THR HA H 4.31 . 1 191 . 20 THR CB C 69.5 . 1 192 . 20 THR HB H 4.15 . 1 193 . 20 THR HG2 H 1.16 . 1 194 . 20 THR CG2 C 21.5 . 1 195 . 21 ASN N N 121.3 . 1 196 . 21 ASN H H 8.55 . 1 197 . 21 ASN CA C 52.7 . 1 198 . 21 ASN HA H 4.78 . 1 199 . 21 ASN CB C 38.5 . 1 200 . 21 ASN HB2 H 2.85 . 2 201 . 21 ASN HB3 H 2.75 . 2 202 . 21 ASN ND2 N 111.9 . 1 203 . 21 ASN HD21 H 7.59 . 2 204 . 21 ASN HD22 H 6.90 . 2 205 . 22 MET N N 121.3 . 1 206 . 22 MET H H 8.35 . 1 207 . 22 MET CA C 55.4 . 1 208 . 22 MET HA H 4.43 . 1 209 . 22 MET CB C 32.6 . 1 210 . 22 MET HB2 H 2.05 . 2 211 . 22 MET HB3 H 1.95 . 2 212 . 22 MET CG C 31.9 . 1 213 . 22 MET HG2 H 2.56 . 2 214 . 22 MET HG3 H 2.50 . 2 215 . 22 MET HE H 2.15 . 1 216 . 22 MET CE C 15.5 . 1 217 . 23 LYS N N 122.2 . 1 218 . 23 LYS H H 8.30 . 1 219 . 23 LYS CA C 55.9 . 1 220 . 23 LYS HA H 4.22 . 1 221 . 23 LYS CB C 32.8 . 1 222 . 23 LYS HB2 H 1.72 . 1 223 . 23 LYS HB3 H 1.72 . 1 224 . 23 LYS CG C 24.7 . 1 225 . 23 LYS HG2 H 1.35 . 1 226 . 23 LYS HG3 H 1.35 . 1 227 . 23 LYS CD C 29.1 . 1 228 . 23 LYS HD2 H 1.61 . 1 229 . 23 LYS HD3 H 1.61 . 1 230 . 23 LYS CE C 41.9 . 1 231 . 23 LYS HE2 H 2.88 . 1 232 . 23 LYS HE3 H 2.88 . 1 233 . 24 HIS N N 119.7 . 1 234 . 24 HIS H H 8.52 . 1 235 . 24 HIS CA C 55.0 . 1 236 . 24 HIS HA H 4.66 . 1 237 . 24 HIS CB C 28.8 . 1 238 . 24 HIS HB2 H 3.23 . 2 239 . 24 HIS HB3 H 3.13 . 2 240 . 24 HIS CD2 C 120.2 . 1 241 . 24 HIS HD2 H 7.22 . 1 242 . 25 MET N N 122.7 . 1 243 . 25 MET H H 8.44 . 1 244 . 25 MET CA C 55.0 . 1 245 . 25 MET HA H 4.45 . 1 246 . 25 MET CB C 32.4 . 1 247 . 25 MET HB2 H 2.04 . 2 248 . 25 MET HB3 H 1.94 . 2 249 . 25 MET CG C 31.9 . 1 250 . 25 MET HG2 H 2.55 . 2 251 . 25 MET HG3 H 2.48 . 2 252 . 25 MET HE H 2.14 . 1 253 . 25 MET CE C 15.5 . 1 254 . 26 ALA N N 125.8 . 1 255 . 26 ALA H H 8.45 . 1 256 . 26 ALA CA C 52.4 . 1 257 . 26 ALA HA H 4.29 . 1 258 . 26 ALA HB H 1.38 . 1 259 . 26 ALA CB C 19.2 . 1 260 . 27 GLY N N 108.4 . 1 261 . 27 GLY H H 8.40 . 1 262 . 27 GLY CA C 45.0 . 1 263 . 27 GLY HA2 H 3.87 . 1 264 . 27 GLY HA3 H 3.87 . 1 265 . 28 ALA N N 123.8 . 1 266 . 28 ALA H H 8.16 . 1 267 . 28 ALA CA C 52.0 . 1 268 . 28 ALA HA H 4.26 . 1 269 . 28 ALA HB H 1.35 . 1 270 . 28 ALA CB C 19.1 . 1 271 . 29 ALA N N 123.3 . 1 272 . 29 ALA H H 8.21 . 1 273 . 29 ALA CA C 52.0 . 1 274 . 29 ALA HA H 4.28 . 1 275 . 29 ALA HB H 1.37 . 1 276 . 29 ALA CB C 18.8 . 1 277 . 30 ALA N N 123.2 . 1 278 . 30 ALA H H 8.29 . 1 279 . 30 ALA CA C 52.0 . 1 280 . 30 ALA HA H 4.27 . 1 281 . 30 ALA HB H 1.36 . 1 282 . 30 ALA CB C 19.1 . 1 283 . 31 ALA N N 123.3 . 1 284 . 31 ALA H H 8.24 . 1 285 . 31 ALA CA C 52.4 . 1 286 . 31 ALA HA H 4.27 . 1 287 . 31 ALA HB H 1.36 . 1 288 . 31 ALA CB C 18.7 . 1 289 . 32 GLY N N 107.8 . 1 290 . 32 GLY H H 8.28 . 1 291 . 32 GLY CA C 45.0 . 1 292 . 32 GLY HA2 H 3.87 . 1 293 . 32 GLY HA3 H 3.87 . 1 294 . 33 ALA N N 123.5 . 1 295 . 33 ALA H H 8.07 . 1 296 . 33 ALA CA C 52.1 . 1 297 . 33 ALA HA H 4.35 . 1 298 . 33 ALA HB H 1.34 . 1 299 . 33 ALA CB C 19.2 . 1 300 . 34 VAL N N 119.7 . 1 301 . 34 VAL H H 8.14 . 1 302 . 34 VAL CA C 61.9 . 1 303 . 34 VAL HA H 4.12 . 1 304 . 34 VAL CB C 32.5 . 1 305 . 34 VAL HB H 1.98 . 1 306 . 34 VAL HG1 H 0.88 . 2 307 . 34 VAL HG2 H 0.84 . 2 308 . 34 VAL CG1 C 21.0 . 1 309 . 34 VAL CG2 C 20.6 . 1 310 . 35 VAL N N 125.0 . 1 311 . 35 VAL H H 8.28 . 1 312 . 35 VAL CA C 62.2 . 1 313 . 35 VAL HA H 4.07 . 1 314 . 35 VAL CB C 32.4 . 1 315 . 35 VAL HB H 2.00 . 1 316 . 35 VAL HG1 H 0.88 . 1 317 . 35 VAL HG2 H 0.88 . 1 318 . 35 VAL CG1 C 20.5 . 1 319 . 35 VAL CG2 C 20.9 . 1 320 . 36 GLY N N 113.5 . 1 321 . 36 GLY H H 8.58 . 1 322 . 36 GLY CA C 45.2 . 1 323 . 36 GLY HA2 H 3.94 . 1 324 . 36 GLY HA3 H 3.94 . 1 325 . 37 GLY N N 108.5 . 1 326 . 37 GLY H H 8.27 . 1 327 . 37 GLY CA C 45.0 . 1 328 . 37 GLY HA2 H 3.92 . 1 329 . 37 GLY HA3 H 3.92 . 1 330 . 38 LEU N N 121.8 . 1 331 . 38 LEU H H 8.22 . 1 332 . 38 LEU CA C 54.7 . 1 333 . 38 LEU HA H 4.36 . 1 334 . 38 LEU CB C 42.4 . 1 335 . 38 LEU HB2 H 1.53 . 2 336 . 38 LEU HB3 H 1.60 . 2 337 . 38 LEU CG C 26.8 . 1 338 . 38 LEU HG H 1.48 . 1 339 . 38 LEU HD1 H 0.67 . 2 340 . 38 LEU HD2 H 0.56 . 2 341 . 38 LEU CD1 C 24.5 . 1 342 . 38 LEU CD2 C 23.3 . 1 343 . 39 GLY N N 109.9 . 1 344 . 39 GLY H H 8.52 . 1 345 . 39 GLY CA C 45.9 . 1 346 . 39 GLY HA2 H 3.83 . 2 347 . 39 GLY HA3 H 3.92 . 2 348 . 40 GLY N N 108.9 . 1 349 . 40 GLY H H 8.33 . 1 350 . 40 GLY CA C 44.9 . 1 351 . 40 GLY HA2 H 3.72 . 2 352 . 40 GLY HA3 H 3.88 . 2 353 . 41 TYR N N 117.5 . 1 354 . 41 TYR H H 7.72 . 1 355 . 41 TYR CA C 57.8 . 1 356 . 41 TYR HA H 4.49 . 1 357 . 41 TYR CB C 40.1 . 1 358 . 41 TYR HB2 H 2.87 . 2 359 . 41 TYR HB3 H 2.80 . 2 360 . 41 TYR HD1 H 6.80 . 1 361 . 41 TYR HD2 H 6.80 . 1 362 . 41 TYR HE1 H 6.63 . 1 363 . 41 TYR HE2 H 6.63 . 1 364 . 41 TYR CD1 C 133.2 . 1 365 . 41 TYR CE1 C 118.6 . 1 366 . 42 MET N N 120.8 . 1 367 . 42 MET H H 9.00 . 1 368 . 42 MET CA C 53.5 . 1 369 . 42 MET HA H 4.52 . 1 370 . 42 MET CB C 34.6 . 1 371 . 42 MET HB2 H 0.90 . 2 372 . 42 MET HB3 H 1.55 . 2 373 . 42 MET CG C 31.9 . 1 374 . 42 MET HG2 H 2.20 . 1 375 . 42 MET HG3 H 2.20 . 1 376 . 42 MET HE H 1.98 . 1 377 . 42 MET CE C 17.0 . 1 378 . 43 LEU N N 121.5 . 1 379 . 43 LEU H H 8.10 . 1 380 . 43 LEU CA C 53.1 . 1 381 . 43 LEU HA H 4.45 . 1 382 . 43 LEU CB C 43.3 . 1 383 . 43 LEU HB2 H 0.95 . 2 384 . 43 LEU HB3 H 1.59 . 2 385 . 43 LEU CG C 25.7 . 1 386 . 43 LEU HG H 1.35 . 1 387 . 43 LEU HD1 H -0.04 . 2 388 . 43 LEU HD2 H 0.59 . 2 389 . 43 LEU CD1 C 21.4 . 1 390 . 43 LEU CD2 C 25.7 . 1 391 . 44 GLY N N 115.0 . 1 392 . 44 GLY H H 9.34 . 1 393 . 44 GLY CA C 44.6 . 1 394 . 44 GLY HA2 H 4.00 . 2 395 . 44 GLY HA3 H 4.40 . 2 396 . 45 SER N N 113.8 . 1 397 . 45 SER H H 8.39 . 1 398 . 45 SER CA C 58.3 . 1 399 . 45 SER HA H 4.39 . 1 400 . 45 SER CB C 63.8 . 1 401 . 45 SER HB2 H 3.96 . 2 402 . 45 SER HB3 H 3.89 . 2 403 . 46 ALA N N 125.6 . 1 404 . 46 ALA H H 8.79 . 1 405 . 46 ALA CA C 52.8 . 1 406 . 46 ALA HA H 4.43 . 1 407 . 46 ALA HB H 1.26 . 1 408 . 46 ALA CB C 18.3 . 1 409 . 47 MET N N 120.8 . 1 410 . 47 MET H H 8.71 . 1 411 . 47 MET CA C 53.6 . 1 412 . 47 MET HA H 4.73 . 1 413 . 47 MET CB C 36.8 . 1 414 . 47 MET HB2 H 2.00 . 1 415 . 47 MET HB3 H 2.00 . 1 416 . 47 MET CG C 30.9 . 1 417 . 47 MET HG2 H 2.44 . 2 418 . 47 MET HG3 H 2.39 . 2 419 . 47 MET HE H 2.14 . 1 420 . 47 MET CE C 17.5 . 1 421 . 48 SER N N 116.3 . 1 422 . 48 SER H H 8.45 . 1 423 . 48 SER CA C 58.4 . 1 424 . 48 SER HA H 4.32 . 1 425 . 48 SER CB C 62.8 . 1 426 . 48 SER HB2 H 3.80 . 2 427 . 48 SER HB3 H 3.72 . 2 428 . 49 ARG N N 126.5 . 1 429 . 49 ARG H H 8.65 . 1 430 . 49 ARG CA C 54.7 . 1 431 . 49 ARG HA H 4.38 . 1 432 . 49 ARG CB C 29.2 . 1 433 . 49 ARG HB2 H 1.70 . 1 434 . 49 ARG HB3 H 1.70 . 1 435 . 49 ARG CG C 28.6 . 1 436 . 49 ARG HG2 H 1.85 . 2 437 . 49 ARG HG3 H 1.80 . 2 438 . 49 ARG CD C 43.6 . 1 439 . 49 ARG HD2 H 3.12 . 2 440 . 49 ARG HD3 H 3.03 . 2 441 . 49 ARG NE N 85.9 . 1 442 . 49 ARG HE H 6.71 . 1 443 . 50 PRO CD C 50.5 . 1 444 . 50 PRO CA C 62.2 . 1 445 . 50 PRO HA H 4.41 . 1 446 . 50 PRO CB C 32.2 . 1 447 . 50 PRO HB2 H 1.74 . 2 448 . 50 PRO HB3 H 2.24 . 2 449 . 50 PRO CG C 27.2 . 1 450 . 50 PRO HG2 H 2.02 . 2 451 . 50 PRO HG3 H 1.96 . 2 452 . 50 PRO HD2 H 3.61 . 2 453 . 50 PRO HD3 H 3.91 . 2 454 . 51 ILE N N 122.5 . 1 455 . 51 ILE H H 8.65 . 1 456 . 51 ILE CA C 60.8 . 1 457 . 51 ILE HA H 4.12 . 1 458 . 51 ILE CB C 36.1 . 1 459 . 51 ILE HB H 1.89 . 1 460 . 51 ILE HG2 H 0.70 . 1 461 . 51 ILE CG2 C 17.2 . 1 462 . 51 ILE CG1 C 27.0 . 1 463 . 51 ILE HG12 H 1.56 . 2 464 . 51 ILE HG13 H 1.37 . 2 465 . 51 ILE HD1 H 0.87 . 1 466 . 51 ILE CD1 C 11.0 . 1 467 . 52 ILE N N 126.9 . 1 468 . 52 ILE H H 6.45 . 1 469 . 52 ILE CA C 58.6 . 1 470 . 52 ILE HA H 3.90 . 1 471 . 52 ILE CB C 39.2 . 1 472 . 52 ILE HB H 0.82 . 1 473 . 52 ILE HG2 H -0.07 . 1 474 . 52 ILE CG2 C 17.0 . 1 475 . 52 ILE CG1 C 26.5 . 1 476 . 52 ILE HG12 H 0.89 . 2 477 . 52 ILE HG13 H 0.76 . 2 478 . 52 ILE HD1 H 0.45 . 1 479 . 52 ILE CD1 C 12.4 . 1 480 . 53 HIS N N 122.0 . 1 481 . 53 HIS H H 8.25 . 1 482 . 53 HIS CA C 53.8 . 1 483 . 53 HIS HA H 4.90 . 1 484 . 53 HIS CB C 29.2 . 1 485 . 53 HIS HB2 H 2.92 . 2 486 . 53 HIS HB3 H 3.29 . 2 487 . 53 HIS CD2 C 120.4 . 1 488 . 53 HIS CE1 C 136.8 . 1 489 . 53 HIS HD2 H 7.23 . 1 490 . 53 HIS HE1 H 8.58 . 1 491 . 54 PHE N N 124.0 . 1 492 . 54 PHE H H 10.21 . 1 493 . 54 PHE CA C 59.2 . 1 494 . 54 PHE HA H 4.34 . 1 495 . 54 PHE CB C 41.4 . 1 496 . 54 PHE HB2 H 3.32 . 2 497 . 54 PHE HB3 H 2.78 . 2 498 . 54 PHE HD1 H 7.30 . 1 499 . 54 PHE HD2 H 7.30 . 1 500 . 54 PHE HE1 H 6.88 . 1 501 . 54 PHE HE2 H 6.88 . 1 502 . 54 PHE CD1 C 132.4 . 1 503 . 54 PHE CE1 C 131.7 . 1 504 . 54 PHE CZ C 129.3 . 1 505 . 54 PHE HZ H 6.72 . 1 506 . 55 GLY N N 108.5 . 1 507 . 55 GLY H H 9.01 . 1 508 . 55 GLY CA C 45.4 . 1 509 . 55 GLY HA2 H 3.80 . 2 510 . 55 GLY HA3 H 4.16 . 2 511 . 56 SER N N 111.7 . 1 512 . 56 SER H H 7.29 . 1 513 . 56 SER CA C 56.3 . 1 514 . 56 SER HA H 4.79 . 1 515 . 56 SER CB C 65.7 . 1 516 . 56 SER HB2 H 3.89 . 2 517 . 56 SER HB3 H 4.12 . 2 518 . 57 ASP N N 124.7 . 1 519 . 57 ASP H H 9.06 . 1 520 . 57 ASP CA C 57.4 . 1 521 . 57 ASP HA H 4.48 . 1 522 . 57 ASP CB C 40.3 . 1 523 . 57 ASP HB2 H 2.74 . 1 524 . 57 ASP HB3 H 2.74 . 1 525 . 58 TYR N N 118.9 . 1 526 . 58 TYR H H 8.59 . 1 527 . 58 TYR CA C 61.3 . 1 528 . 58 TYR HA H 4.17 . 1 529 . 58 TYR CB C 38.0 . 1 530 . 58 TYR HB2 H 3.24 . 2 531 . 58 TYR HB3 H 2.82 . 2 532 . 58 TYR HD1 H 7.03 . 1 533 . 58 TYR HD2 H 7.03 . 1 534 . 58 TYR HE1 H 6.76 . 1 535 . 58 TYR HE2 H 6.76 . 1 536 . 58 TYR CD1 C 133.7 . 1 537 . 58 TYR CE1 C 118.3 . 1 538 . 59 GLU N N 119.0 . 1 539 . 59 GLU H H 7.71 . 1 540 . 59 GLU CA C 59.5 . 1 541 . 59 GLU HA H 3.58 . 1 542 . 59 GLU CB C 29.8 . 1 543 . 59 GLU HB2 H 1.94 . 2 544 . 59 GLU HB3 H 1.55 . 2 545 . 59 GLU CG C 37.4 . 1 546 . 59 GLU HG2 H 2.26 . 2 547 . 59 GLU HG3 H 1.91 . 2 548 . 60 ASP N N 119.9 . 1 549 . 60 ASP H H 8.21 . 1 550 . 60 ASP CA C 58.2 . 1 551 . 60 ASP HA H 4.65 . 1 552 . 60 ASP CB C 40.1 . 1 553 . 60 ASP HB2 H 2.86 . 2 554 . 60 ASP HB3 H 3.02 . 2 555 . 61 ARG N N 120.3 . 1 556 . 61 ARG H H 8.21 . 1 557 . 61 ARG CA C 59.4 . 1 558 . 61 ARG HA H 3.99 . 1 559 . 61 ARG CB C 29.7 . 1 560 . 61 ARG HB2 H 1.89 . 1 561 . 61 ARG HB3 H 1.89 . 1 562 . 61 ARG CG C 27.7 . 1 563 . 61 ARG HG2 H 1.73 . 2 564 . 61 ARG HG3 H 1.52 . 2 565 . 61 ARG CD C 43.4 . 1 566 . 61 ARG HD2 H 3.17 . 2 567 . 61 ARG HD3 H 3.21 . 2 568 . 61 ARG NE N 85.0 . 1 569 . 61 ARG HE H 7.46 . 1 570 . 62 TYR N N 121.3 . 1 571 . 62 TYR H H 8.30 . 1 572 . 62 TYR CA C 62.0 . 1 573 . 62 TYR HA H 3.81 . 1 574 . 62 TYR CB C 38.0 . 1 575 . 62 TYR HB2 H 2.59 . 2 576 . 62 TYR HB3 H 2.85 . 2 577 . 62 TYR HD1 H 6.91 . 1 578 . 62 TYR HD2 H 6.91 . 1 579 . 62 TYR HE1 H 6.77 . 1 580 . 62 TYR HE2 H 6.77 . 1 581 . 62 TYR CD1 C 133.3 . 1 582 . 62 TYR CE1 C 118.6 . 1 583 . 63 TYR N N 120.7 . 1 584 . 63 TYR H H 8.96 . 1 585 . 63 TYR CA C 62.8 . 1 586 . 63 TYR HA H 4.10 . 1 587 . 63 TYR CB C 38.1 . 1 588 . 63 TYR HB2 H 3.52 . 2 589 . 63 TYR HB3 H 3.24 . 2 590 . 63 TYR HD1 H 7.52 . 1 591 . 63 TYR HD2 H 7.52 . 1 592 . 63 TYR HE1 H 6.99 . 1 593 . 63 TYR HE2 H 6.99 . 1 594 . 63 TYR CD1 C 133.9 . 1 595 . 63 TYR CE1 C 118.5 . 1 596 . 64 ARG N N 118.0 . 1 597 . 64 ARG H H 7.99 . 1 598 . 64 ARG CA C 59.8 . 1 599 . 64 ARG HA H 3.90 . 1 600 . 64 ARG CB C 29.7 . 1 601 . 64 ARG HB2 H 2.06 . 2 602 . 64 ARG HB3 H 1.93 . 2 603 . 64 ARG CG C 28.1 . 1 604 . 64 ARG HG2 H 2.01 . 2 605 . 64 ARG HG3 H 1.72 . 2 606 . 64 ARG CD C 43.0 . 1 607 . 64 ARG HD2 H 3.26 . 2 608 . 64 ARG HD3 H 3.36 . 2 609 . 64 ARG NE N 84.2 . 1 610 . 64 ARG HE H 7.48 . 1 611 . 65 GLU N N 116.6 . 1 612 . 65 GLU H H 8.06 . 1 613 . 65 GLU CA C 57.8 . 1 614 . 65 GLU HA H 4.05 . 1 615 . 65 GLU CB C 29.5 . 1 616 . 65 GLU HB2 H 1.87 . 1 617 . 65 GLU HB3 H 1.87 . 1 618 . 65 GLU CG C 35.8 . 1 619 . 65 GLU HG2 H 2.22 . 2 620 . 65 GLU HG3 H 2.41 . 2 621 . 66 ASN N N 114.7 . 1 622 . 66 ASN H H 7.61 . 1 623 . 66 ASN CA C 54.8 . 1 624 . 66 ASN HA H 4.26 . 1 625 . 66 ASN CB C 40.8 . 1 626 . 66 ASN HB2 H 2.14 . 1 627 . 66 ASN HB3 H 2.14 . 1 628 . 66 ASN ND2 N 117.1 . 1 629 . 66 ASN HD21 H 6.70 . 2 630 . 66 ASN HD22 H 6.58 . 2 631 . 67 MET N N 119.7 . 1 632 . 67 MET H H 8.12 . 1 633 . 67 MET CA C 59.1 . 1 634 . 67 MET HA H 3.42 . 1 635 . 67 MET CB C 30.1 . 1 636 . 67 MET HB2 H 1.63 . 2 637 . 67 MET HB3 H 1.30 . 2 638 . 67 MET CG C 30.5 . 1 639 . 67 MET HG2 H 2.51 . 2 640 . 67 MET HG3 H 2.13 . 2 641 . 67 MET HE H 2.00 . 1 642 . 67 MET CE C 17.5 . 1 643 . 68 HIS N N 115.1 . 1 644 . 68 HIS H H 8.08 . 1 645 . 68 HIS CA C 57.4 . 1 646 . 68 HIS HA H 4.20 . 1 647 . 68 HIS CB C 27.2 . 1 648 . 68 HIS HB2 H 3.05 . 2 649 . 68 HIS HB3 H 3.30 . 2 650 . 68 HIS CD2 C 120.6 . 1 651 . 68 HIS HD2 H 7.39 . 1 652 . 69 ARG N N 118.0 . 1 653 . 69 ARG H H 7.62 . 1 654 . 69 ARG CA C 56.0 . 1 655 . 69 ARG HA H 4.12 . 1 656 . 69 ARG CB C 30.4 . 1 657 . 69 ARG HB2 H 1.39 . 2 658 . 69 ARG HB3 H 2.08 . 2 659 . 69 ARG CG C 27.2 . 1 660 . 69 ARG HG2 H 1.36 . 2 661 . 69 ARG HG3 H 0.31 . 2 662 . 69 ARG CD C 44.0 . 1 663 . 69 ARG HD2 H 3.23 . 2 664 . 69 ARG HD3 H 3.06 . 2 665 . 69 ARG NE N 84.0 . 1 666 . 69 ARG HE H 7.36 . 1 667 . 70 TYR N N 120.7 . 1 668 . 70 TYR H H 7.48 . 1 669 . 70 TYR CA C 52.5 . 1 670 . 70 TYR HA H 5.01 . 1 671 . 70 TYR CB C 34.8 . 1 672 . 70 TYR HB2 H 3.11 . 1 673 . 70 TYR HB3 H 3.11 . 1 674 . 70 TYR HD1 H 6.85 . 1 675 . 70 TYR HD2 H 6.85 . 1 676 . 70 TYR HE1 H 6.55 . 1 677 . 70 TYR HE2 H 6.55 . 1 678 . 70 TYR CD1 C 131.5 . 1 679 . 70 TYR CE1 C 117.5 . 1 680 . 71 PRO CD C 49.9 . 1 681 . 71 PRO CA C 63.5 . 1 682 . 71 PRO HA H 4.40 . 1 683 . 71 PRO CB C 32.2 . 1 684 . 71 PRO HB2 H 1.67 . 2 685 . 71 PRO HB3 H 2.44 . 2 686 . 71 PRO CG C 27.2 . 1 687 . 71 PRO HG2 H 1.53 . 2 688 . 71 PRO HG3 H 1.29 . 2 689 . 71 PRO HD2 H 3.10 . 2 690 . 71 PRO HD3 H 3.29 . 2 691 . 72 ASN N N 116.1 . 1 692 . 72 ASN H H 8.55 . 1 693 . 72 ASN CA C 51.8 . 1 694 . 72 ASN HA H 4.70 . 1 695 . 72 ASN CB C 38.0 . 1 696 . 72 ASN HB2 H 2.42 . 2 697 . 72 ASN HB3 H 3.65 . 2 698 . 72 ASN ND2 N 109.1 . 1 699 . 72 ASN HD21 H 7.48 . 2 700 . 72 ASN HD22 H 6.77 . 2 701 . 73 GLN N N 113.6 . 1 702 . 73 GLN H H 7.26 . 1 703 . 73 GLN CA C 53.8 . 1 704 . 73 GLN HA H 4.52 . 1 705 . 73 GLN CB C 33.5 . 1 706 . 73 GLN HB2 H 1.68 . 2 707 . 73 GLN HB3 H 1.96 . 2 708 . 73 GLN CG C 33.9 . 1 709 . 73 GLN HG2 H 2.14 . 2 710 . 73 GLN HG3 H 2.01 . 2 711 . 73 GLN NE2 N 112.7 . 1 712 . 73 GLN HE21 H 7.92 . 2 713 . 73 GLN HE22 H 6.98 . 2 714 . 74 VAL N N 112.9 . 1 715 . 74 VAL H H 8.52 . 1 716 . 74 VAL CA C 58.6 . 1 717 . 74 VAL HA H 4.90 . 1 718 . 74 VAL CB C 33.8 . 1 719 . 74 VAL HB H 2.60 . 1 720 . 74 VAL HG1 H 0.93 . 2 721 . 74 VAL HG2 H 0.74 . 2 722 . 74 VAL CG1 C 23.4 . 1 723 . 74 VAL CG2 C 18.4 . 1 724 . 75 TYR N N 121.3 . 1 725 . 75 TYR H H 8.45 . 1 726 . 75 TYR CA C 56.8 . 1 727 . 75 TYR HA H 5.51 . 1 728 . 75 TYR CB C 41.9 . 1 729 . 75 TYR HB2 H 2.54 . 2 730 . 75 TYR HB3 H 2.58 . 2 731 . 75 TYR HD1 H 6.88 . 1 732 . 75 TYR HD2 H 6.88 . 1 733 . 75 TYR HE1 H 6.74 . 1 734 . 75 TYR HE2 H 6.74 . 1 735 . 75 TYR CD1 C 133.8 . 1 736 . 75 TYR CE1 C 118.7 . 1 737 . 76 TYR N N 111.1 . 1 738 . 76 TYR H H 8.60 . 1 739 . 76 TYR CA C 55.7 . 1 740 . 76 TYR HA H 4.77 . 1 741 . 76 TYR CB C 40.0 . 1 742 . 76 TYR HB2 H 2.60 . 2 743 . 76 TYR HB3 H 2.67 . 2 744 . 76 TYR HD1 H 7.00 . 1 745 . 76 TYR HD2 H 7.00 . 1 746 . 76 TYR HE1 H 6.44 . 1 747 . 76 TYR HE2 H 6.44 . 1 748 . 76 TYR CD1 C 134.3 . 1 749 . 76 TYR CE1 C 118.0 . 1 750 . 77 ARG N N 121.1 . 1 751 . 77 ARG H H 8.02 . 1 752 . 77 ARG CA C 52.9 . 1 753 . 77 ARG HA H 4.60 . 1 754 . 77 ARG CB C 30.0 . 1 755 . 77 ARG HB2 H 1.61 . 1 756 . 77 ARG HB3 H 1.61 . 1 757 . 77 ARG CG C 27.3 . 1 758 . 77 ARG HG2 H 1.13 . 1 759 . 77 ARG HG3 H 1.13 . 1 760 . 77 ARG CD C 43.2 . 1 761 . 77 ARG HD2 H 2.85 . 1 762 . 77 ARG HD3 H 2.85 . 1 763 . 77 ARG NE N 85.0 . 1 764 . 77 ARG HE H 6.93 . 1 765 . 78 PRO CD C 50.4 . 1 766 . 78 PRO CA C 63.2 . 1 767 . 78 PRO HA H 4.49 . 1 768 . 78 PRO CB C 32.2 . 1 769 . 78 PRO HB2 H 2.45 . 2 770 . 78 PRO HB3 H 1.91 . 2 771 . 78 PRO CG C 27.9 . 1 772 . 78 PRO HG2 H 2.08 . 2 773 . 78 PRO HG3 H 1.91 . 2 774 . 78 PRO HD2 H 3.50 . 2 775 . 78 PRO HD3 H 3.62 . 2 776 . 79 MET N N 120.6 . 1 777 . 79 MET H H 8.86 . 1 778 . 79 MET CA C 57.5 . 1 779 . 79 MET HA H 4.46 . 1 780 . 79 MET CB C 32.1 . 1 781 . 79 MET HB2 H 2.34 . 1 782 . 79 MET HB3 H 2.34 . 1 783 . 79 MET CG C 32.8 . 1 784 . 79 MET HG2 H 1.83 . 2 785 . 79 MET HG3 H 1.77 . 2 786 . 79 MET HE H 1.61 . 1 787 . 79 MET CE C 17.0 . 1 788 . 80 ASP N N 118.5 . 1 789 . 80 ASP H H 8.45 . 1 790 . 80 ASP CA C 54.0 . 1 791 . 80 ASP HA H 4.52 . 1 792 . 80 ASP CB C 39.6 . 1 793 . 80 ASP HB2 H 2.96 . 2 794 . 80 ASP HB3 H 2.72 . 2 795 . 81 GLU N N 117.1 . 1 796 . 81 GLU H H 8.40 . 1 797 . 81 GLU CA C 54.9 . 1 798 . 81 GLU HA H 4.65 . 1 799 . 81 GLU CB C 28.5 . 1 800 . 81 GLU HB2 H 3.21 . 2 801 . 81 GLU HB3 H 3.13 . 2 802 . 82 TYR HD1 H 7.18 . 1 803 . 82 TYR HD2 H 7.18 . 1 804 . 82 TYR HE1 H 6.87 . 1 805 . 82 TYR HE2 H 6.87 . 1 806 . 82 TYR CD1 C 133.8 . 1 807 . 82 TYR CE1 C 119.0 . 1 808 . 83 SER CA C 58.6 . 1 809 . 83 SER HA H 4.58 . 1 810 . 83 SER CB C 63.9 . 1 811 . 83 SER HB2 H 3.97 . 2 812 . 83 SER HB3 H 3.94 . 2 813 . 84 ASN CA C 52.1 . 1 814 . 84 ASN HA H 4.75 . 1 815 . 84 ASN CB C 39.7 . 1 816 . 84 ASN HB2 H 3.11 . 2 817 . 84 ASN HB3 H 3.02 . 2 818 . 84 ASN ND2 N 113.3 . 1 819 . 84 ASN HD21 H 7.55 . 2 820 . 84 ASN HD22 H 6.71 . 2 821 . 85 GLN N N 120.3 . 1 822 . 85 GLN H H 8.67 . 1 823 . 85 GLN CA C 59.2 . 1 824 . 85 GLN HA H 2.89 . 1 825 . 85 GLN CB C 28.9 . 1 826 . 85 GLN HB2 H 1.61 . 2 827 . 85 GLN HB3 H 1.59 . 2 828 . 85 GLN CG C 33.2 . 1 829 . 85 GLN HG2 H 1.45 . 2 830 . 85 GLN HG3 H 1.12 . 2 831 . 85 GLN NE2 N 111.8 . 1 832 . 85 GLN HE21 H 7.47 . 2 833 . 85 GLN HE22 H 6.79 . 2 834 . 86 ASN N N 117.1 . 1 835 . 86 ASN H H 8.38 . 1 836 . 86 ASN CA C 56.4 . 1 837 . 86 ASN HA H 4.22 . 1 838 . 86 ASN CB C 37.7 . 1 839 . 86 ASN HB2 H 2.64 . 2 840 . 86 ASN HB3 H 2.73 . 2 841 . 86 ASN ND2 N 112.9 . 1 842 . 86 ASN HD21 H 7.58 . 2 843 . 86 ASN HD22 H 6.94 . 2 844 . 87 ASN N N 118.6 . 1 845 . 87 ASN H H 8.64 . 1 846 . 87 ASN CA C 55.8 . 1 847 . 87 ASN HA H 4.54 . 1 848 . 87 ASN CB C 37.8 . 1 849 . 87 ASN HB2 H 2.91 . 2 850 . 87 ASN HB3 H 3.05 . 2 851 . 87 ASN ND2 N 112.2 . 1 852 . 87 ASN HD21 H 7.46 . 2 853 . 87 ASN HD22 H 6.83 . 2 854 . 88 PHE HD1 H 7.67 . 1 855 . 88 PHE HD2 H 7.67 . 1 856 . 88 PHE HE1 H 6.69 . 1 857 . 88 PHE HE2 H 6.69 . 1 858 . 88 PHE CD1 C 132.1 . 1 859 . 88 PHE CE1 C 129.6 . 1 860 . 89 VAL N N 120.2 . 1 861 . 89 VAL H H 8.95 . 1 862 . 89 VAL CA C 67.6 . 1 863 . 89 VAL HA H 3.50 . 1 864 . 89 VAL CB C 31.9 . 1 865 . 89 VAL HB H 2.21 . 1 866 . 89 VAL HG1 H 1.05 . 2 867 . 89 VAL HG2 H 1.01 . 2 868 . 89 VAL CG1 C 21.6 . 1 869 . 89 VAL CG2 C 24.5 . 1 870 . 90 HIS N N 116.7 . 1 871 . 90 HIS H H 8.36 . 1 872 . 90 HIS CA C 59.2 . 1 873 . 90 HIS HA H 4.29 . 1 874 . 90 HIS CB C 28.2 . 1 875 . 90 HIS HB2 H 3.37 . 2 876 . 90 HIS HB3 H 3.32 . 2 877 . 90 HIS CD2 C 120.3 . 1 878 . 90 HIS CE1 C 136.7 . 1 879 . 90 HIS HD2 H 7.45 . 1 880 . 90 HIS HE1 H 8.64 . 1 881 . 91 ASP N N 118.6 . 1 882 . 91 ASP H H 7.74 . 1 883 . 91 ASP CA C 56.9 . 1 884 . 91 ASP HA H 4.53 . 1 885 . 91 ASP CB C 40.8 . 1 886 . 91 ASP HB2 H 2.96 . 2 887 . 91 ASP HB3 H 2.85 . 2 888 . 92 CYS N N 119.2 . 1 889 . 92 CYS H H 8.07 . 1 890 . 92 CYS CA C 58.5 . 1 891 . 92 CYS HA H 4.71 . 1 892 . 92 CYS CB C 40.3 . 1 893 . 92 CYS HB2 H 2.97 . 2 894 . 92 CYS HB3 H 3.22 . 2 895 . 93 VAL N N 124.9 . 1 896 . 93 VAL H H 9.13 . 1 897 . 93 VAL CA C 66.2 . 1 898 . 93 VAL HA H 3.62 . 1 899 . 93 VAL CB C 31.8 . 1 900 . 93 VAL HB H 2.16 . 1 901 . 93 VAL HG1 H 0.95 . 2 902 . 93 VAL HG2 H 1.07 . 2 903 . 93 VAL CG1 C 21.6 . 1 904 . 93 VAL CG2 C 23.4 . 1 905 . 94 ASN N N 116.3 . 1 906 . 94 ASN H H 7.66 . 1 907 . 94 ASN CA C 56.4 . 1 908 . 94 ASN HA H 4.30 . 1 909 . 94 ASN CB C 38.6 . 1 910 . 94 ASN HB2 H 2.85 . 2 911 . 94 ASN HB3 H 2.77 . 2 912 . 94 ASN ND2 N 112.0 . 1 913 . 94 ASN HD21 H 7.64 . 2 914 . 94 ASN HD22 H 6.77 . 2 915 . 95 ILE N N 118.8 . 1 916 . 95 ILE H H 8.70 . 1 917 . 95 ILE CA C 62.1 . 1 918 . 95 ILE HA H 3.74 . 1 919 . 95 ILE CB C 36.5 . 1 920 . 95 ILE HB H 1.54 . 1 921 . 95 ILE HG2 H 0.25 . 1 922 . 95 ILE CG2 C 18.3 . 1 923 . 95 ILE CG1 C 27.5 . 1 924 . 95 ILE HG12 H 0.85 . 2 925 . 95 ILE HG13 H 0.82 . 2 926 . 95 ILE HD1 H 0.39 . 1 927 . 95 ILE CD1 C 11.3 . 1 928 . 96 THR N N 118.3 . 1 929 . 96 THR H H 8.16 . 1 930 . 96 THR CA C 68.7 . 1 931 . 96 THR HA H 4.04 . 1 932 . 96 THR CB C 68.1 . 1 933 . 96 THR HB H 4.46 . 1 934 . 96 THR HG2 H 1.47 . 1 935 . 96 THR HG1 H 6.31 . 1 936 . 96 THR CG2 C 22.0 . 1 937 . 97 ILE N N 120.8 . 1 938 . 97 ILE H H 8.52 . 1 939 . 97 ILE CA C 65.6 . 1 940 . 97 ILE HA H 3.67 . 1 941 . 97 ILE CB C 36.6 . 1 942 . 97 ILE HB H 2.08 . 1 943 . 97 ILE HG2 H 0.86 . 1 944 . 97 ILE CG2 C 16.7 . 1 945 . 97 ILE CG1 C 29.7 . 1 946 . 97 ILE HG12 H 1.80 . 2 947 . 97 ILE HG13 H 1.19 . 2 948 . 97 ILE HD1 H 0.75 . 1 949 . 97 ILE CD1 C 12.8 . 1 950 . 98 LYS N N 122.8 . 1 951 . 98 LYS H H 8.03 . 1 952 . 98 LYS CA C 59.8 . 1 953 . 98 LYS HA H 4.04 . 1 954 . 98 LYS CB C 31.9 . 1 955 . 98 LYS HB2 H 1.92 . 2 956 . 98 LYS HB3 H 1.86 . 2 957 . 98 LYS CG C 24.8 . 1 958 . 98 LYS HG2 H 1.47 . 2 959 . 98 LYS HG3 H 1.37 . 2 960 . 98 LYS CD C 28.8 . 1 961 . 98 LYS HD2 H 1.59 . 1 962 . 98 LYS HD3 H 1.59 . 1 963 . 98 LYS CE C 41.7 . 1 964 . 98 LYS HE2 H 2.89 . 1 965 . 98 LYS HE3 H 2.89 . 1 966 . 99 GLN N N 116.3 . 1 967 . 99 GLN H H 8.35 . 1 968 . 99 GLN CA C 57.4 . 1 969 . 99 GLN HA H 4.01 . 1 970 . 99 GLN CB C 27.9 . 1 971 . 99 GLN HB2 H 1.86 . 2 972 . 99 GLN HB3 H 1.96 . 2 973 . 99 GLN CG C 33.2 . 1 974 . 99 GLN HG2 H 2.07 . 2 975 . 99 GLN HG3 H 1.57 . 2 976 . 99 GLN NE2 N 110.1 . 1 977 . 99 GLN HE21 H 6.75 . 2 978 . 99 GLN HE22 H 6.70 . 2 979 . 100 HIS N N 118.0 . 1 980 . 100 HIS H H 8.12 . 1 981 . 100 HIS CA C 57.8 . 1 982 . 100 HIS HA H 4.57 . 1 983 . 100 HIS CB C 30.4 . 1 984 . 100 HIS HB2 H 3.31 . 2 985 . 100 HIS HB3 H 3.28 . 2 986 . 100 HIS CD2 C 120.8 . 1 987 . 100 HIS HD2 H 7.34 . 1 988 . 101 THR N N 113.8 . 1 989 . 101 THR H H 8.21 . 1 990 . 101 THR CA C 65.1 . 1 991 . 101 THR HA H 4.17 . 1 992 . 101 THR CB C 69.0 . 1 993 . 101 THR HB H 4.41 . 1 994 . 101 THR HG2 H 1.22 . 1 995 . 101 THR CG2 C 21.2 . 1 996 . 102 VAL N N 122.2 . 1 997 . 102 VAL H H 7.99 . 1 998 . 102 VAL CA C 64.9 . 1 999 . 102 VAL HA H 3.98 . 1 1000 . 102 VAL CB C 31.9 . 1 1001 . 102 VAL HB H 2.19 . 1 1002 . 102 VAL HG1 H 1.01 . 2 1003 . 102 VAL HG2 H 0.94 . 2 1004 . 102 VAL CG1 C 21.2 . 1 1005 . 102 VAL CG2 C 20.9 . 1 1006 . 103 THR N N 115.0 . 1 1007 . 103 THR H H 8.07 . 1 1008 . 103 THR CA C 63.4 . 1 1009 . 103 THR HA H 4.23 . 1 1010 . 103 THR CB C 69.1 . 1 1011 . 103 THR HB H 4.25 . 1 1012 . 103 THR HG2 H 1.25 . 1 1013 . 103 THR CG2 C 21.4 . 1 1014 . 104 THR N N 114.9 . 1 1015 . 104 THR H H 8.00 . 1 1016 . 104 THR CA C 63.7 . 1 1017 . 104 THR HA H 4.20 . 1 1018 . 104 THR CB C 68.9 . 1 1019 . 104 THR HB H 4.15 . 1 1020 . 104 THR HG2 H 1.00 . 1 1021 . 104 THR CG2 C 21.2 . 1 1022 . 105 THR N N 116.5 . 1 1023 . 105 THR H H 8.18 . 1 1024 . 105 THR CA C 63.5 . 1 1025 . 105 THR HA H 4.38 . 1 1026 . 105 THR CB C 69.1 . 1 1027 . 105 THR HB H 4.34 . 1 1028 . 105 THR HG2 H 1.23 . 1 1029 . 105 THR CG2 C 21.2 . 1 1030 . 106 THR N N 116.1 . 1 1031 . 106 THR H H 7.94 . 1 1032 . 106 THR CA C 63.4 . 1 1033 . 106 THR HA H 4.22 . 1 1034 . 106 THR CB C 69.3 . 1 1035 . 106 THR HB H 4.25 . 1 1036 . 106 THR HG2 H 1.24 . 1 1037 . 106 THR CG2 C 21.4 . 1 1038 . 107 LYS N N 121.1 . 1 1039 . 107 LYS H H 7.86 . 1 1040 . 107 LYS CA C 56.4 . 1 1041 . 107 LYS HA H 4.30 . 1 1042 . 107 LYS CB C 32.3 . 1 1043 . 107 LYS HB2 H 1.80 . 2 1044 . 107 LYS HB3 H 1.93 . 2 1045 . 107 LYS CG C 24.6 . 1 1046 . 107 LYS HG2 H 1.47 . 2 1047 . 107 LYS HG3 H 1.43 . 2 1048 . 107 LYS CD C 28.7 . 1 1049 . 107 LYS HD2 H 1.65 . 1 1050 . 107 LYS HD3 H 1.65 . 1 1051 . 107 LYS CE C 41.8 . 1 1052 . 107 LYS HE2 H 2.95 . 1 1053 . 107 LYS HE3 H 2.95 . 1 1054 . 108 GLY N N 108.9 . 1 1055 . 108 GLY H H 8.13 . 1 1056 . 108 GLY CA C 45.3 . 1 1057 . 108 GLY HA2 H 4.05 . 2 1058 . 108 GLY HA3 H 3.84 . 2 1059 . 109 GLU N N 120.0 . 1 1060 . 109 GLU H H 7.73 . 1 1061 . 109 GLU CA C 55.5 . 1 1062 . 109 GLU HA H 4.24 . 1 1063 . 109 GLU CB C 30.5 . 1 1064 . 109 GLU HB2 H 1.64 . 1 1065 . 109 GLU HB3 H 1.64 . 1 1066 . 109 GLU CG C 35.4 . 1 1067 . 109 GLU HG2 H 2.09 . 1 1068 . 109 GLU HG3 H 2.09 . 1 1069 . 110 ASN N N 119.7 . 1 1070 . 110 ASN H H 8.45 . 1 1071 . 110 ASN CA C 52.7 . 1 1072 . 110 ASN HA H 4.64 . 1 1073 . 110 ASN CB C 40.0 . 1 1074 . 110 ASN HB2 H 2.68 . 2 1075 . 110 ASN HB3 H 2.60 . 2 1076 . 110 ASN ND2 N 112.8 . 1 1077 . 110 ASN HD21 H 7.53 . 2 1078 . 110 ASN HD22 H 6.82 . 2 1079 . 111 PHE N N 121.9 . 1 1080 . 111 PHE H H 8.66 . 1 1081 . 111 PHE CA C 56.6 . 1 1082 . 111 PHE HA H 5.26 . 1 1083 . 111 PHE CB C 39.8 . 1 1084 . 111 PHE HB2 H 2.94 . 2 1085 . 111 PHE HB3 H 3.15 . 2 1086 . 111 PHE HD1 H 7.32 . 1 1087 . 111 PHE HD2 H 7.32 . 1 1088 . 111 PHE HE1 H 7.45 . 1 1089 . 111 PHE HE2 H 7.45 . 1 1090 . 111 PHE CD1 C 132.2 . 1 1091 . 111 PHE CE1 C 130.3 . 1 1092 . 112 THR N N 116.2 . 1 1093 . 112 THR H H 9.49 . 1 1094 . 112 THR CA C 60.4 . 1 1095 . 112 THR HA H 4.60 . 1 1096 . 112 THR CB C 71.9 . 1 1097 . 112 THR HB H 4.80 . 1 1098 . 112 THR HG2 H 1.41 . 1 1099 . 112 THR CG2 C 21.5 . 1 1100 . 113 GLU N N 119.9 . 1 1101 . 113 GLU H H 9.11 . 1 1102 . 113 GLU CA C 59.4 . 1 1103 . 113 GLU HA H 4.07 . 1 1104 . 113 GLU CB C 28.3 . 1 1105 . 113 GLU HB2 H 2.13 . 2 1106 . 113 GLU HB3 H 2.05 . 2 1107 . 113 GLU CG C 35.3 . 1 1108 . 113 GLU HG2 H 2.36 . 2 1109 . 113 GLU HG3 H 2.43 . 2 1110 . 114 THR N N 116.2 . 1 1111 . 114 THR H H 7.96 . 1 1112 . 114 THR CA C 66.7 . 1 1113 . 114 THR HA H 3.77 . 1 1114 . 114 THR CB C 68.4 . 1 1115 . 114 THR HB H 3.70 . 1 1116 . 114 THR HG2 H 0.69 . 1 1117 . 114 THR CG2 C 20.8 . 1 1118 . 115 ASP N N 120.2 . 1 1119 . 115 ASP H H 7.48 . 1 1120 . 115 ASP CA C 57.8 . 1 1121 . 115 ASP HA H 4.55 . 1 1122 . 115 ASP CB C 41.4 . 1 1123 . 115 ASP HB2 H 3.27 . 2 1124 . 115 ASP HB3 H 2.56 . 2 1125 . 116 VAL N N 119.7 . 1 1126 . 116 VAL H H 8.22 . 1 1127 . 116 VAL CA C 67.5 . 1 1128 . 116 VAL HA H 3.29 . 1 1129 . 116 VAL CB C 31.4 . 1 1130 . 116 VAL HB H 2.10 . 1 1131 . 116 VAL HG1 H 0.88 . 2 1132 . 116 VAL HG2 H 0.97 . 2 1133 . 116 VAL CG1 C 20.9 . 1 1134 . 116 VAL CG2 C 22.7 . 1 1135 . 117 LYS N N 119.2 . 1 1136 . 117 LYS H H 7.74 . 1 1137 . 117 LYS CA C 59.2 . 1 1138 . 117 LYS HA H 4.04 . 1 1139 . 117 LYS CB C 31.9 . 1 1140 . 117 LYS HB2 H 1.95 . 2 1141 . 117 LYS HB3 H 1.90 . 2 1142 . 117 LYS CG C 25.0 . 1 1143 . 117 LYS HG2 H 1.44 . 2 1144 . 117 LYS HG3 H 1.62 . 2 1145 . 117 LYS CD C 28.8 . 1 1146 . 117 LYS HD2 H 1.68 . 1 1147 . 117 LYS HD3 H 1.68 . 1 1148 . 117 LYS CE C 41.6 . 1 1149 . 117 LYS HE2 H 2.92 . 1 1150 . 117 LYS HE3 H 2.92 . 1 1151 . 118 MET N N 118.7 . 1 1152 . 118 MET H H 8.22 . 1 1153 . 118 MET CA C 60.0 . 1 1154 . 118 MET HA H 4.13 . 1 1155 . 118 MET CB C 32.5 . 1 1156 . 118 MET HB2 H 2.29 . 2 1157 . 118 MET HB3 H 1.93 . 2 1158 . 118 MET CG C 34.0 . 1 1159 . 118 MET HG2 H 2.15 . 2 1160 . 118 MET HG3 H 2.92 . 2 1161 . 118 MET HE H 1.46 . 1 1162 . 118 MET CE C 18.0 . 1 1163 . 119 MET N N 118.4 . 1 1164 . 119 MET H H 8.75 . 1 1165 . 119 MET CA C 59.4 . 1 1166 . 119 MET HA H 3.55 . 1 1167 . 119 MET CB C 33.3 . 1 1168 . 119 MET HB2 H 1.92 . 2 1169 . 119 MET HB3 H 1.66 . 2 1170 . 119 MET CG C 32.4 . 1 1171 . 119 MET HG2 H 1.72 . 2 1172 . 119 MET HG3 H 1.92 . 2 1173 . 119 MET HE H 1.37 . 1 1174 . 119 MET CE C 16.0 . 1 1175 . 120 GLU N N 118.5 . 1 1176 . 120 GLU H H 8.40 . 1 1177 . 120 GLU CA C 60.3 . 1 1178 . 120 GLU HA H 3.66 . 1 1179 . 120 GLU CB C 27.7 . 1 1180 . 120 GLU HB2 H 2.07 . 2 1181 . 120 GLU HB3 H 2.21 . 2 1182 . 120 GLU CG C 35.0 . 1 1183 . 120 GLU HG2 H 2.22 . 2 1184 . 120 GLU HG3 H 2.56 . 2 1185 . 121 ARG N N 116.9 . 1 1186 . 121 ARG H H 7.31 . 1 1187 . 121 ARG CA C 58.3 . 1 1188 . 121 ARG HA H 4.19 . 1 1189 . 121 ARG CB C 29.7 . 1 1190 . 121 ARG HB2 H 2.09 . 2 1191 . 121 ARG HB3 H 1.94 . 2 1192 . 121 ARG CG C 26.7 . 1 1193 . 121 ARG HG2 H 1.74 . 2 1194 . 121 ARG HG3 H 1.83 . 2 1195 . 121 ARG CD C 42.3 . 1 1196 . 121 ARG HD2 H 3.24 . 2 1197 . 121 ARG HD3 H 3.14 . 2 1198 . 121 ARG NE N 83.1 . 1 1199 . 121 ARG HE H 7.27 . 1 1200 . 122 VAL N N 119.1 . 1 1201 . 122 VAL H H 8.28 . 1 1202 . 122 VAL CA C 65.7 . 1 1203 . 122 VAL HA H 3.79 . 1 1204 . 122 VAL CB C 32.0 . 1 1205 . 122 VAL HB H 2.32 . 1 1206 . 122 VAL HG1 H 1.26 . 2 1207 . 122 VAL HG2 H 1.31 . 2 1208 . 122 VAL CG1 C 20.8 . 1 1209 . 122 VAL CG2 C 24.0 . 1 1210 . 123 VAL N N 121.3 . 1 1211 . 123 VAL H H 9.03 . 1 1212 . 123 VAL CA C 66.5 . 1 1213 . 123 VAL HA H 3.64 . 1 1214 . 123 VAL CB C 31.1 . 1 1215 . 123 VAL HB H 2.26 . 1 1216 . 123 VAL HG1 H 1.21 . 2 1217 . 123 VAL HG2 H 0.94 . 2 1218 . 123 VAL CG1 C 24.6 . 1 1219 . 123 VAL CG2 C 24.1 . 1 1220 . 124 GLU N N 120.3 . 1 1221 . 124 GLU H H 8.06 . 1 1222 . 124 GLU CA C 60.9 . 1 1223 . 124 GLU HA H 3.59 . 1 1224 . 124 GLU CB C 28.8 . 1 1225 . 124 GLU HB2 H 2.15 . 2 1226 . 124 GLU HB3 H 2.22 . 2 1227 . 124 GLU CG C 35.1 . 1 1228 . 124 GLU HG2 H 2.20 . 1 1229 . 124 GLU HG3 H 2.20 . 1 1230 . 125 GLN N N 114.9 . 1 1231 . 125 GLN H H 7.18 . 1 1232 . 125 GLN CA C 58.8 . 1 1233 . 125 GLN HA H 3.97 . 1 1234 . 125 GLN CB C 27.7 . 1 1235 . 125 GLN HB2 H 2.12 . 2 1236 . 125 GLN HB3 H 2.20 . 2 1237 . 125 GLN CG C 33.5 . 1 1238 . 125 GLN HG2 H 2.41 . 2 1239 . 125 GLN HG3 H 2.43 . 2 1240 . 125 GLN NE2 N 113.2 . 1 1241 . 125 GLN HE21 H 7.54 . 2 1242 . 125 GLN HE22 H 6.89 . 2 1243 . 126 MET N N 119.2 . 1 1244 . 126 MET H H 8.27 . 1 1245 . 126 MET CA C 59.7 . 1 1246 . 126 MET HA H 4.15 . 1 1247 . 126 MET CB C 34.4 . 1 1248 . 126 MET HB2 H 2.10 . 1 1249 . 126 MET HB3 H 2.10 . 1 1250 . 126 MET CG C 32.2 . 1 1251 . 126 MET HG2 H 2.46 . 2 1252 . 126 MET HG3 H 2.81 . 2 1253 . 126 MET HE H 1.88 . 1 1254 . 126 MET CE C 16.3 . 1 1255 . 127 CYS N N 119.3 . 1 1256 . 127 CYS H H 9.20 . 1 1257 . 127 CYS CA C 59.8 . 1 1258 . 127 CYS HA H 4.41 . 1 1259 . 127 CYS CB C 41.6 . 1 1260 . 127 CYS HB2 H 2.86 . 2 1261 . 127 CYS HB3 H 3.51 . 2 1262 . 128 ILE N N 123.8 . 1 1263 . 128 ILE H H 8.23 . 1 1264 . 128 ILE CA C 66.6 . 1 1265 . 128 ILE HA H 3.55 . 1 1266 . 128 ILE CB C 37.9 . 1 1267 . 128 ILE HB H 2.01 . 1 1268 . 128 ILE HG2 H 0.87 . 1 1269 . 128 ILE CG2 C 16.9 . 1 1270 . 128 ILE CG1 C 30.6 . 1 1271 . 128 ILE HG12 H 1.96 . 2 1272 . 128 ILE HG13 H 0.83 . 2 1273 . 128 ILE HD1 H 0.83 . 1 1274 . 128 ILE CD1 C 13.9 . 1 1275 . 129 THR N N 118.6 . 1 1276 . 129 THR H H 8.11 . 1 1277 . 129 THR CA C 66.9 . 1 1278 . 129 THR HA H 3.90 . 1 1279 . 129 THR CB C 68.1 . 1 1280 . 129 THR HB H 4.32 . 1 1281 . 129 THR HG2 H 1.20 . 1 1282 . 129 THR CG2 C 21.8 . 1 1283 . 130 GLN N N 122.3 . 1 1284 . 130 GLN H H 8.76 . 1 1285 . 130 GLN CA C 58.3 . 1 1286 . 130 GLN HA H 3.61 . 1 1287 . 130 GLN CB C 27.9 . 1 1288 . 130 GLN HB2 H 2.29 . 2 1289 . 130 GLN HB3 H 2.13 . 2 1290 . 130 GLN CG C 32.7 . 1 1291 . 130 GLN HG2 H 1.75 . 2 1292 . 130 GLN HG3 H 1.65 . 2 1293 . 130 GLN NE2 N 115.7 . 1 1294 . 130 GLN HE21 H 7.34 . 2 1295 . 130 GLN HE22 H 6.73 . 2 1296 . 131 TYR N N 121.4 . 1 1297 . 131 TYR H H 8.55 . 1 1298 . 131 TYR CA C 61.9 . 1 1299 . 131 TYR HA H 2.93 . 1 1300 . 131 TYR CB C 36.9 . 1 1301 . 131 TYR HB2 H 3.09 . 2 1302 . 131 TYR HB3 H 2.71 . 2 1303 . 131 TYR HD1 H 6.20 . 1 1304 . 131 TYR HD2 H 6.20 . 1 1305 . 131 TYR HE1 H 6.55 . 1 1306 . 131 TYR HE2 H 6.55 . 1 1307 . 131 TYR CD1 C 133.0 . 1 1308 . 131 TYR CE1 C 118.1 . 1 1309 . 132 GLU N N 120.5 . 1 1310 . 132 GLU H H 8.26 . 1 1311 . 132 GLU CA C 58.9 . 1 1312 . 132 GLU HA H 3.73 . 1 1313 . 132 GLU CB C 27.9 . 1 1314 . 132 GLU HB2 H 2.35 . 2 1315 . 132 GLU HB3 H 2.05 . 2 1316 . 132 GLU CG C 34.6 . 1 1317 . 132 GLU HG2 H 2.42 . 2 1318 . 132 GLU HG3 H 2.64 . 2 1319 . 133 ARG N N 119.3 . 1 1320 . 133 ARG H H 7.97 . 1 1321 . 133 ARG CA C 58.9 . 1 1322 . 133 ARG HA H 3.96 . 1 1323 . 133 ARG CB C 30.1 . 1 1324 . 133 ARG HB2 H 1.81 . 2 1325 . 133 ARG HB3 H 1.94 . 2 1326 . 133 ARG CG C 26.6 . 1 1327 . 133 ARG HG2 H 1.58 . 2 1328 . 133 ARG HG3 H 1.81 . 2 1329 . 133 ARG CD C 44.0 . 1 1330 . 133 ARG HD2 H 2.90 . 2 1331 . 133 ARG HD3 H 3.05 . 2 1332 . 133 ARG NE N 84.0 . 1 1333 . 133 ARG HE H 7.23 . 1 1334 . 134 GLU N N 118.6 . 1 1335 . 134 GLU H H 8.35 . 1 1336 . 134 GLU CA C 57.5 . 1 1337 . 134 GLU HA H 4.00 . 1 1338 . 134 GLU CB C 28.8 . 1 1339 . 134 GLU HB2 H 1.67 . 1 1340 . 134 GLU HB3 H 1.67 . 1 1341 . 134 GLU CG C 35.7 . 1 1342 . 134 GLU HG2 H 2.18 . 2 1343 . 134 GLU HG3 H 2.41 . 2 1344 . 135 SER N N 115.7 . 1 1345 . 135 SER H H 8.39 . 1 1346 . 135 SER CA C 60.8 . 1 1347 . 135 SER HA H 3.91 . 1 1348 . 135 SER CB C 62.3 . 1 1349 . 135 SER HB2 H 3.39 . 2 1350 . 135 SER HB3 H 3.60 . 2 1351 . 136 GLN N N 120.3 . 1 1352 . 136 GLN H H 7.61 . 1 1353 . 136 GLN CA C 57.7 . 1 1354 . 136 GLN HA H 4.11 . 1 1355 . 136 GLN CB C 28.2 . 1 1356 . 136 GLN HB2 H 2.09 . 1 1357 . 136 GLN HB3 H 2.09 . 1 1358 . 136 GLN CG C 33.7 . 1 1359 . 136 GLN HG2 H 2.47 . 2 1360 . 136 GLN HG3 H 2.37 . 2 1361 . 136 GLN NE2 N 111.8 . 1 1362 . 136 GLN HE21 H 7.46 . 2 1363 . 136 GLN HE22 H 6.79 . 2 1364 . 137 ALA N N 120.7 . 1 1365 . 137 ALA H H 7.51 . 1 1366 . 137 ALA CA C 53.6 . 1 1367 . 137 ALA HA H 4.16 . 1 1368 . 137 ALA HB H 1.38 . 1 1369 . 137 ALA CB C 18.3 . 1 1370 . 138 TYR N N 119.1 . 1 1371 . 138 TYR H H 8.01 . 1 1372 . 138 TYR CA C 60.0 . 1 1373 . 138 TYR HA H 4.18 . 1 1374 . 138 TYR CB C 38.8 . 1 1375 . 138 TYR HB2 H 2.99 . 2 1376 . 138 TYR HB3 H 2.80 . 2 1377 . 138 TYR HD1 H 6.67 . 1 1378 . 138 TYR HD2 H 6.67 . 1 1379 . 138 TYR HE1 H 6.76 . 1 1380 . 138 TYR HE2 H 6.76 . 1 1381 . 138 TYR CD1 C 133.5 . 1 1382 . 138 TYR CE1 C 118.1 . 1 1383 . 139 TYR N N 118.2 . 1 1384 . 139 TYR H H 7.92 . 1 1385 . 139 TYR CA C 58.7 . 1 1386 . 139 TYR HA H 4.37 . 1 1387 . 139 TYR CB C 38.1 . 1 1388 . 139 TYR HB2 H 2.91 . 2 1389 . 139 TYR HB3 H 3.13 . 2 1390 . 139 TYR HD1 H 7.29 . 1 1391 . 139 TYR HD2 H 7.29 . 1 1392 . 139 TYR HE1 H 7.09 . 1 1393 . 139 TYR HE2 H 7.09 . 1 1394 . 139 TYR CD1 C 133.5 . 1 1395 . 139 TYR CE1 C 118.4 . 1 1396 . 140 GLN N N 119.7 . 1 1397 . 140 GLN H H 7.85 . 1 1398 . 140 GLN CA C 55.9 . 1 1399 . 140 GLN HA H 4.22 . 1 1400 . 140 GLN CB C 28.6 . 1 1401 . 140 GLN HB2 H 2.02 . 2 1402 . 140 GLN HB3 H 2.10 . 2 1403 . 140 GLN CG C 33.7 . 1 1404 . 140 GLN HG2 H 2.35 . 1 1405 . 140 GLN HG3 H 2.35 . 1 1406 . 140 GLN NE2 N 111.8 . 1 1407 . 140 GLN HE21 H 7.47 . 2 1408 . 140 GLN HE22 H 6.82 . 2 1409 . 141 ARG N N 121.1 . 1 1410 . 141 ARG H H 7.98 . 1 1411 . 141 ARG CA C 56.5 . 1 1412 . 141 ARG HA H 4.26 . 1 1413 . 141 ARG CB C 30.5 . 1 1414 . 141 ARG HB2 H 1.79 . 2 1415 . 141 ARG HB3 H 1.84 . 2 1416 . 141 ARG CG C 26.8 . 1 1417 . 141 ARG HG2 H 1.62 . 2 1418 . 141 ARG HG3 H 1.66 . 2 1419 . 141 ARG CD C 43.1 . 1 1420 . 141 ARG HD2 H 3.14 . 1 1421 . 141 ARG HD3 H 3.14 . 1 1422 . 141 ARG NE N 84.5 . 1 1423 . 141 ARG HE H 7.15 . 1 1424 . 142 GLY N N 110.0 . 1 1425 . 142 GLY H H 8.31 . 1 1426 . 142 GLY CA C 45.0 . 1 1427 . 142 GLY HA2 H 3.95 . 1 1428 . 142 GLY HA3 H 3.95 . 1 1429 . 143 SER N N 120.8 . 1 1430 . 143 SER H H 7.85 . 1 1431 . 143 SER CA C 58.3 . 1 1432 . 143 SER HA H 4.51 . 1 1433 . 143 SER CB C 63.5 . 1 1434 . 143 SER HB2 H 3.89 . 1 1435 . 143 SER HB3 H 3.89 . 1 stop_ save_