data_5378 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR Structure of a Variant Human Prion Protein with Two Disulfide Bridges ; _BMRB_accession_number 5378 _BMRB_flat_file_name bmr5378.str _Entry_type original _Submission_date 2002-05-17 _Accession_date 2002-05-17 _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 Guntert Peter . . 3 'von Schroetter' Christine . . 4 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" 672 "13C chemical shifts" 321 "15N chemical shifts" 130 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2003-02-20 original author . stop_ _Original_release_date 2003-02-20 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'NMR Structure of a Variant Human Prion Protein with Two Disulfide Bridges' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code 22435922 _PubMed_ID 12547204 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Zahn Ralph . . 2 Guntert Peter . . 3 'von Schroetter' Christine . . 4 Wuthrich Kurt . . stop_ _Journal_abbreviation 'J. Mol. Biol.' _Journal_volume 326 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 225 _Page_last 234 _Year 2003 _Details . loop_ _Keyword 'Prion Protein' 'Doppel Protein' 'NMR structure' 'Disulfide Bonds' 'Factor X Epitope' stop_ save_ ################################## # Molecular system description # ################################## save_system_hPrP(121-230)_M166-E221C _Saveframe_category molecular_system _Mol_system_name 'Human prion protein fragment 121-230 with mutations Met166Cys and Glu221Cys' _Abbreviation_common 'hPrP(121-230) M166/E221C' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'hprp(121-230) subunit 1' $hprp(121-230)_monomer 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(121-230)_monomer _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'human prion protein 121-230' _Name_variant M166C/E221C _Abbreviation_common 'hPrP(121-230) M166/E221C' _Molecular_mass 13092 _Mol_thiol_state 'all disulfide bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 112 _Mol_residue_sequence ; GSVVGGLGGYMLGSAMSRPI IHFGSDYEDRYYRENMHRYP NQVYYRPCDEYSNQNNFVHD CVNITIKQHTVTTTTKGENF TETDVKMMERVVEQMCITQY ERCSQAYYQRGS ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 119 GLY 2 120 SER 3 121 VAL 4 122 VAL 5 123 GLY 6 124 GLY 7 125 LEU 8 126 GLY 9 127 GLY 10 128 TYR 11 129 MET 12 130 LEU 13 131 GLY 14 132 SER 15 133 ALA 16 134 MET 17 135 SER 18 136 ARG 19 137 PRO 20 138 ILE 21 139 ILE 22 140 HIS 23 141 PHE 24 142 GLY 25 143 SER 26 144 ASP 27 145 TYR 28 146 GLU 29 147 ASP 30 148 ARG 31 149 TYR 32 150 TYR 33 151 ARG 34 152 GLU 35 153 ASN 36 154 MET 37 155 HIS 38 156 ARG 39 157 TYR 40 158 PRO 41 159 ASN 42 160 GLN 43 161 VAL 44 162 TYR 45 163 TYR 46 164 ARG 47 165 PRO 48 166 CYS 49 167 ASP 50 168 GLU 51 169 TYR 52 170 SER 53 171 ASN 54 172 GLN 55 173 ASN 56 174 ASN 57 175 PHE 58 176 VAL 59 177 HIS 60 178 ASP 61 179 CYS 62 180 VAL 63 181 ASN 64 182 ILE 65 183 THR 66 184 ILE 67 185 LYS 68 186 GLN 69 187 HIS 70 188 THR 71 189 VAL 72 190 THR 73 191 THR 74 192 THR 75 193 THR 76 194 LYS 77 195 GLY 78 196 GLU 79 197 ASN 80 198 PHE 81 199 THR 82 200 GLU 83 201 THR 84 202 ASP 85 203 VAL 86 204 LYS 87 205 MET 88 206 MET 89 207 GLU 90 208 ARG 91 209 VAL 92 210 VAL 93 211 GLU 94 212 GLN 95 213 MET 96 214 CYS 97 215 ILE 98 216 THR 99 217 GLN 100 218 TYR 101 219 GLU 102 220 ARG 103 221 CYS 104 222 SER 105 223 GLN 106 224 ALA 107 225 TYR 108 226 TYR 109 227 GLN 110 228 ARG 111 229 GLY 112 230 SER stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-28 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value BMRB 15676 V129/D178N_prion_protein 88.39 146 96.97 97.98 3.09e-63 BMRB 17756 hPrP(121-230) 98.21 113 98.18 98.18 7.22e-73 BMRB 17780 Hpp_E219K 91.96 142 97.09 98.06 7.56e-67 BMRB 18426 entity 91.96 142 97.09 98.06 7.56e-67 BMRB 4379 hPrP 100.00 112 98.21 98.21 1.69e-74 BMRB 4402 hPrP(23-230) 100.00 210 97.32 98.21 5.61e-75 BMRB 4434 hPrP 100.00 143 97.32 98.21 1.05e-74 BMRB 4620 prion_protein 100.00 112 97.32 98.21 3.97e-74 BMRB 4736 hPrP 100.00 112 98.21 98.21 1.30e-74 BMRB 5713 hprp 100.00 112 98.21 98.21 1.69e-74 PDB 1E1G "Human Prion Protein Variant M166v" 91.96 104 98.06 98.06 8.49e-68 PDB 1E1J "Human Prion Protein Variant M166v" 91.96 104 98.06 98.06 8.49e-68 PDB 1E1P "Human Prion Protein Variant S170n" 91.96 104 97.09 98.06 4.61e-67 PDB 1E1S "Human Prion Protein Variant S170n" 91.96 104 97.09 98.06 4.61e-67 PDB 1E1U "Human Prion Protein Variant R220k" 91.96 104 97.09 98.06 2.67e-67 PDB 1E1W "Human Prion Protein Variant R220k" 91.96 104 97.09 98.06 2.67e-67 PDB 1H0L "Human Prion Protein 121-230 M166c/e221c" 99.11 112 100.00 100.00 2.32e-76 PDB 1HJM "Human Prion Protein At Ph 7.0" 91.96 104 98.06 98.06 1.14e-67 PDB 1HJN "Human Prion Protein At Ph 7.0" 91.96 104 98.06 98.06 1.14e-67 PDB 1I4M "Crystal Structure Of The Human Prion Protein Reveals A Mechanism For Oligomerization" 96.43 108 97.22 98.15 4.21e-71 PDB 1QLX "Human Prion Protein" 100.00 210 97.32 98.21 5.61e-75 PDB 1QLZ "Human Prion Protein" 100.00 210 97.32 98.21 5.61e-75 PDB 1QM0 "Human Prion Protein Fragment 90-230" 100.00 143 97.32 98.21 1.05e-74 PDB 1QM1 "Human Prion Protein Fragment 90-230" 100.00 143 97.32 98.21 1.05e-74 PDB 1QM2 "Human Prion Protein Fragment 121-230" 100.00 112 98.21 98.21 1.69e-74 PDB 1QM3 "Human Prion Protein Fragment 121-230" 100.00 112 98.21 98.21 1.69e-74 PDB 2K1D "Nmr Studies Of A Pathogenic Mutant (D178n) Of The Human Prion Protein" 88.39 146 96.97 97.98 3.09e-63 PDB 2LFT "Human Prion Protein With E219k Protective Polymorphism" 91.96 142 97.09 98.06 7.56e-67 PDB 2LSB "Solution-State Nmr Structure Of The Human Prion Protein" 100.00 142 97.32 98.21 9.38e-75 PDB 2W9E "Structure Of Icsm 18 (Anti-Prp Therapeutic Antibody) Fab Fragment Complexed With Human Prp Fragment 119-231" 100.00 113 97.32 98.21 2.67e-74 PDB 3HAK "Human Prion Protein Variant V129" 91.96 103 97.09 98.06 4.87e-67 PDB 3HER "Human Prion Protein Variant F198s With V129" 88.39 142 96.97 96.97 7.75e-63 PDB 4DGI "Structure Of Pom1 Fab Fragment Complexed With Human Prpc Fragment 120- 230" 99.11 111 97.30 98.20 2.35e-73 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 97.32 98.21 8.18e-75 PDB 4N9O "Probing The N-terminal Beta-sheet Conversion In The Crystal Structure Of The Human Prion Protein Bound To A Nanobody" 100.00 142 97.32 98.21 9.38e-75 DBJ BAA00011 "prion protein [Homo sapiens]" 100.00 245 97.32 98.21 4.34e-74 DBJ BAG32276 "prion [Homo sapiens]" 100.00 253 97.32 98.21 8.21e-74 DBJ BAG32278 "alternatively spliced variant form of prion [Homo sapiens]" 88.39 230 97.98 98.99 1.66e-65 DBJ BAG32279 "alternatively spliced variant form of prion [Homo sapiens]" 88.39 230 96.97 98.99 9.70e-65 DBJ BAG52189 "unnamed protein product [Homo sapiens]" 100.00 163 97.32 98.21 3.27e-75 EMBL CAA58442 "prion protein [Homo sapiens]" 100.00 245 97.32 98.21 1.06e-73 GB AAA19664 "prion protein [Homo sapiens]" 100.00 245 97.32 98.21 4.34e-74 GB AAA60182 "prion protein [Homo sapiens]" 100.00 253 97.32 98.21 8.21e-74 GB AAA68633 "major prion protein precursor [Gorilla gorilla]" 91.96 253 97.09 98.06 4.30e-66 GB AAB59442 "prion protein, partial [Homo sapiens]" 100.00 224 97.32 98.21 3.40e-74 GB AAB59443 "prion protein, partial [Homo sapiens]" 100.00 233 97.32 98.21 2.95e-74 REF NP_000302 "major prion protein preproprotein [Homo sapiens]" 100.00 253 97.32 98.21 8.21e-74 REF NP_001073590 "major prion protein preproprotein [Homo sapiens]" 100.00 253 97.32 98.21 8.21e-74 REF NP_001073591 "major prion protein preproprotein [Homo sapiens]" 100.00 253 97.32 98.21 8.21e-74 REF NP_001073592 "major prion protein preproprotein [Homo sapiens]" 100.00 253 97.32 98.21 8.21e-74 REF NP_898902 "major prion protein preproprotein [Homo sapiens]" 100.00 253 97.32 98.21 8.21e-74 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 97.32 98.21 8.21e-74 SP P40252 "RecName: Full=Major prion protein; Short=PrP; AltName: Full=PrP27-30; AltName: Full=PrP33-35C; AltName: CD_antigen=CD230; Flags" 91.96 253 97.09 98.06 8.16e-66 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(121-230)_monomer 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 _Variant _Vector_type _Vector_name $hprp(121-230)_monomer 'recombinant technology' 'E. coli' Escherichia coli . BL21(DE3) 'pRSET A' . 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(121-230)_monomer 0.7 mM '[U-15N; U-13C]' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $hprp(121-230)_monomer 0.7 mM . 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-CANDID _Saveframe_category software _Name DYANA-CANDID _Version . _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _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/13C_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-1H-15N/13C NOESY' _Sample_label . save_ save_1H-1H-15N_TOCSY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-1H-15N TOCSY' _Sample_label . save_ save_HNCA_3 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _Sample_label . save_ save_HSQC_4 _Saveframe_category NMR_applied_experiment _Experiment_name HSQC _Sample_label . save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-1H-15N/13C NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-1H-15N TOCSY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_3 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_4 _Saveframe_category NMR_applied_experiment _Experiment_name HSQC _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 na 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 H 1 'methyl protons' ppm 0.0 internal direct . . . 1.000000000 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/13C NOESY' '1H-1H-15N TOCSY' HNCA HSQC stop_ _Sample_conditions_label $Ex-cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'hprp(121-230) subunit 1' _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 43.5 0.2 1 2 . 1 GLY HA2 H 3.87 0.02 1 3 . 1 GLY HA3 H 3.87 0.02 1 4 . 2 SER N N 115.6 0.2 1 5 . 2 SER H H 8.63 0.02 1 6 . 2 SER CA C 58.1 0.2 1 7 . 2 SER HA H 4.54 0.02 1 8 . 2 SER CB C 64.1 0.2 1 9 . 2 SER HB2 H 3.81 0.02 1 10 . 2 SER HB3 H 3.81 0.02 1 11 . 3 VAL N N 122.1 0.2 1 12 . 3 VAL H H 8.34 0.02 1 13 . 3 VAL CA C 62.3 0.2 1 14 . 3 VAL HA H 4.16 0.02 1 15 . 3 VAL CB C 32.8 0.2 1 16 . 3 VAL HB H 2.02 0.02 1 17 . 3 VAL HG1 H 0.86 0.02 2 18 . 3 VAL HG2 H 0.89 0.02 2 19 . 3 VAL CG1 C 21.1 0.2 1 20 . 3 VAL CG2 C 20.6 0.2 1 21 . 4 VAL N N 124.9 0.2 1 22 . 4 VAL H H 8.32 0.02 1 23 . 4 VAL CA C 62.6 0.2 1 24 . 4 VAL HA H 4.06 0.02 1 25 . 4 VAL CB C 32.6 0.2 1 26 . 4 VAL HB H 2.00 0.02 1 27 . 4 VAL HG1 H 0.88 0.02 2 28 . 4 VAL HG2 H 0.90 0.02 2 29 . 4 VAL CG1 C 21.1 0.2 1 30 . 4 VAL CG2 C 20.7 0.2 1 31 . 5 GLY N N 113.4 0.2 1 32 . 5 GLY H H 8.54 0.02 1 33 . 5 GLY CA C 45.3 0.2 1 34 . 5 GLY HA2 H 3.92 0.02 1 35 . 5 GLY HA3 H 3.92 0.02 1 36 . 6 GLY N N 108.6 0.2 1 37 . 6 GLY H H 8.26 0.02 1 38 . 6 GLY CA C 45.3 0.2 1 39 . 6 GLY HA2 H 3.93 0.02 1 40 . 6 GLY HA3 H 3.93 0.02 1 41 . 7 LEU N N 121.9 0.2 1 42 . 7 LEU H H 8.27 0.02 1 43 . 7 LEU CA C 55.0 0.2 1 44 . 7 LEU HA H 4.33 0.02 1 45 . 7 LEU CB C 42.5 0.2 1 46 . 7 LEU HB2 H 1.53 0.02 2 47 . 7 LEU HB3 H 1.58 0.02 2 48 . 7 LEU CG C 26.9 0.2 1 49 . 7 LEU HG H 1.49 0.02 1 50 . 7 LEU HD1 H 0.70 0.02 2 51 . 7 LEU HD2 H 0.59 0.02 2 52 . 7 LEU CD1 C 24.7 0.2 1 53 . 7 LEU CD2 C 23.5 0.2 1 54 . 8 GLY N N 109.8 0.2 1 55 . 8 GLY H H 8.53 0.02 1 56 . 8 GLY CA C 46.1 0.2 1 57 . 8 GLY HA2 H 3.84 0.02 2 58 . 8 GLY HA3 H 3.89 0.02 2 59 . 9 GLY N N 109.1 0.2 1 60 . 9 GLY H H 8.31 0.02 1 61 . 9 GLY CA C 45.2 0.2 1 62 . 9 GLY HA2 H 3.75 0.02 2 63 . 9 GLY HA3 H 3.88 0.02 2 64 . 10 TYR N N 117.6 0.2 1 65 . 10 TYR H H 7.71 0.02 1 66 . 10 TYR CA C 58.1 0.2 1 67 . 10 TYR HA H 4.43 0.02 1 68 . 10 TYR CB C 39.9 0.2 1 69 . 10 TYR HB2 H 2.89 0.02 2 70 . 10 TYR HB3 H 2.84 0.02 2 71 . 10 TYR HD1 H 6.83 0.02 1 72 . 10 TYR HD2 H 6.83 0.02 1 73 . 10 TYR HE1 H 6.62 0.02 1 74 . 10 TYR HE2 H 6.62 0.02 1 75 . 11 MET N N 121.4 0.2 1 76 . 11 MET H H 9.05 0.02 1 77 . 11 MET CA C 53.9 0.2 1 78 . 11 MET HA H 4.49 0.02 1 79 . 11 MET CB C 34.6 0.2 1 80 . 11 MET HB2 H 1.05 0.02 2 81 . 11 MET HB3 H 1.57 0.02 2 82 . 11 MET CG C 31.9 0.2 1 83 . 11 MET HG2 H 2.16 0.02 1 84 . 11 MET HG3 H 2.16 0.02 1 85 . 11 MET HE H 1.94 0.02 1 86 . 11 MET CE C 17.1 0.2 1 87 . 12 LEU N N 121.6 0.2 1 88 . 12 LEU H H 8.11 0.02 1 89 . 12 LEU CA C 53.6 0.2 1 90 . 12 LEU HA H 4.44 0.02 1 91 . 12 LEU CB C 43.5 0.2 1 92 . 12 LEU HB2 H 0.98 0.02 2 93 . 12 LEU HB3 H 1.57 0.02 2 94 . 12 LEU CG C 26.1 0.2 1 95 . 12 LEU HG H 1.35 0.02 1 96 . 12 LEU HD1 H 0.04 0.02 2 97 . 12 LEU HD2 H 0.60 0.02 2 98 . 12 LEU CD1 C 21.9 0.2 1 99 . 12 LEU CD2 C 25.6 0.2 1 100 . 13 GLY N N 114.9 0.2 1 101 . 13 GLY H H 9.31 0.02 1 102 . 13 GLY CA C 45.0 0.2 1 103 . 13 GLY HA2 H 4.01 0.02 2 104 . 13 GLY HA3 H 4.39 0.02 2 105 . 14 SER N N 114.0 0.2 1 106 . 14 SER H H 8.31 0.02 1 107 . 14 SER CA C 58.4 0.2 1 108 . 14 SER HA H 4.40 0.02 1 109 . 14 SER CB C 64.1 0.2 1 110 . 14 SER HB2 H 3.94 0.02 2 111 . 14 SER HB3 H 3.86 0.02 2 112 . 15 ALA N N 125.4 0.2 1 113 . 15 ALA H H 8.72 0.02 1 114 . 15 ALA CA C 52.9 0.2 1 115 . 15 ALA HA H 4.39 0.02 1 116 . 15 ALA HB H 1.25 0.02 1 117 . 15 ALA CB C 18.5 0.2 1 118 . 16 MET N N 121.0 0.2 1 119 . 16 MET H H 8.69 0.02 1 120 . 16 MET CA C 54.1 0.2 1 121 . 16 MET HA H 4.69 0.02 1 122 . 16 MET CB C 36.4 0.2 1 123 . 16 MET HB2 H 2.01 0.02 2 124 . 16 MET HB3 H 1.93 0.02 2 125 . 16 MET CG C 31.4 0.2 1 126 . 16 MET HG2 H 2.48 0.02 2 127 . 16 MET HG3 H 2.40 0.02 2 128 . 16 MET HE H 2.08 0.02 1 129 . 16 MET CE C 17.6 0.2 1 130 . 17 SER N N 116.4 0.2 1 131 . 17 SER H H 8.42 0.02 1 132 . 17 SER CA C 58.5 0.2 1 133 . 17 SER HA H 4.32 0.02 1 134 . 17 SER CB C 63.1 0.2 1 135 . 17 SER HB2 H 3.79 0.02 2 136 . 17 SER HB3 H 3.72 0.02 2 137 . 18 ARG N N 126.3 0.2 1 138 . 18 ARG H H 8.64 0.02 1 139 . 18 ARG CA C 54.8 0.2 1 140 . 18 ARG HA H 4.38 0.02 1 141 . 18 ARG CB C 29.6 0.2 1 142 . 18 ARG HB2 H 1.70 0.02 1 143 . 18 ARG HB3 H 1.70 0.02 1 144 . 18 ARG CG C 28.8 0.2 1 145 . 18 ARG HG2 H 1.83 0.02 2 146 . 18 ARG HG3 H 1.75 0.02 2 147 . 18 ARG CD C 43.9 0.2 1 148 . 18 ARG HD2 H 3.11 0.02 2 149 . 18 ARG HD3 H 3.04 0.02 2 150 . 18 ARG NE N 85.6 0.2 1 151 . 18 ARG HE H 6.75 0.02 1 152 . 19 PRO CD C 50.7 0.2 1 153 . 19 PRO CA C 62.3 0.2 1 154 . 19 PRO HA H 4.40 0.02 1 155 . 19 PRO CB C 32.4 0.2 1 156 . 19 PRO HB2 H 1.72 0.02 2 157 . 19 PRO HB3 H 2.21 0.02 2 158 . 19 PRO CG C 27.4 0.2 1 159 . 19 PRO HG2 H 1.95 0.02 2 160 . 19 PRO HG3 H 2.00 0.02 2 161 . 19 PRO HD2 H 3.59 0.02 2 162 . 19 PRO HD3 H 3.89 0.02 2 163 . 20 ILE N N 122.5 0.2 1 164 . 20 ILE H H 8.63 0.02 1 165 . 20 ILE CA C 61.0 0.2 1 166 . 20 ILE HA H 4.11 0.02 1 167 . 20 ILE CB C 36.3 0.2 1 168 . 20 ILE HB H 1.86 0.02 1 169 . 20 ILE HG2 H 0.69 0.02 1 170 . 20 ILE CG2 C 17.4 0.2 1 171 . 20 ILE CG1 C 27.2 0.2 1 172 . 20 ILE HG12 H 1.55 0.02 2 173 . 20 ILE HG13 H 1.34 0.02 2 174 . 20 ILE HD1 H 0.85 0.02 1 175 . 20 ILE CD1 C 11.4 0.2 1 176 . 21 ILE N N 126.9 0.2 1 177 . 21 ILE H H 6.47 0.02 1 178 . 21 ILE CA C 58.9 0.2 1 179 . 21 ILE HA H 3.87 0.02 1 180 . 21 ILE CB C 39.4 0.2 1 181 . 21 ILE HB H 0.80 0.02 1 182 . 21 ILE HG2 H -0.10 0.02 1 183 . 21 ILE CG2 C 17.2 0.2 1 184 . 21 ILE CG1 C 26.7 0.2 1 185 . 21 ILE HG12 H 0.89 0.02 2 186 . 21 ILE HG13 H 0.73 0.02 2 187 . 21 ILE HD1 H 0.44 0.02 1 188 . 21 ILE CD1 C 12.6 0.2 1 189 . 22 HIS N N 122.1 0.2 1 190 . 22 HIS H H 8.23 0.02 1 191 . 22 HIS CA C 54.1 0.2 1 192 . 22 HIS HA H 4.88 0.02 1 193 . 22 HIS CB C 29.4 0.2 1 194 . 22 HIS HB2 H 2.91 0.02 2 195 . 22 HIS HB3 H 3.27 0.02 2 196 . 22 HIS HD2 H 7.21 0.02 1 197 . 22 HIS HE1 H 8.54 0.02 1 198 . 23 PHE N N 123.9 0.2 1 199 . 23 PHE H H 10.19 0.02 1 200 . 23 PHE CA C 59.3 0.2 1 201 . 23 PHE HA H 4.33 0.02 1 202 . 23 PHE CB C 41.5 0.2 1 203 . 23 PHE HB2 H 3.29 0.02 2 204 . 23 PHE HB3 H 2.76 0.02 2 205 . 23 PHE HD1 H 7.28 0.02 1 206 . 23 PHE HD2 H 7.28 0.02 1 207 . 23 PHE HE1 H 6.86 0.02 1 208 . 23 PHE HE2 H 6.86 0.02 1 209 . 23 PHE HZ H 6.69 0.02 1 210 . 24 GLY N N 108.6 0.2 1 211 . 24 GLY H H 9.00 0.02 1 212 . 24 GLY CA C 45.7 0.2 1 213 . 24 GLY HA2 H 3.79 0.02 2 214 . 24 GLY HA3 H 4.14 0.02 2 215 . 25 SER N N 111.9 0.2 1 216 . 25 SER H H 7.29 0.02 1 217 . 25 SER CA C 56.6 0.2 1 218 . 25 SER HA H 4.78 0.02 1 219 . 25 SER CB C 66.1 0.2 1 220 . 25 SER HB2 H 4.10 0.02 2 221 . 25 SER HB3 H 3.89 0.02 2 222 . 26 ASP N N 124.6 0.2 1 223 . 26 ASP H H 9.04 0.02 1 224 . 26 ASP CA C 57.6 0.2 1 225 . 26 ASP HA H 4.47 0.02 1 226 . 26 ASP CB C 40.6 0.2 1 227 . 26 ASP HB2 H 2.72 0.02 1 228 . 26 ASP HB3 H 2.72 0.02 1 229 . 27 TYR N N 119.0 0.2 1 230 . 27 TYR H H 8.58 0.02 1 231 . 27 TYR CA C 61.5 0.2 1 232 . 27 TYR HA H 4.16 0.02 1 233 . 27 TYR CB C 38.2 0.2 1 234 . 27 TYR HB2 H 3.22 0.02 2 235 . 27 TYR HB3 H 2.82 0.02 2 236 . 27 TYR HD1 H 7.01 0.02 1 237 . 27 TYR HD2 H 7.01 0.02 1 238 . 27 TYR HE1 H 6.73 0.02 1 239 . 27 TYR HE2 H 6.73 0.02 1 240 . 28 GLU N N 119.1 0.2 1 241 . 28 GLU H H 7.71 0.02 1 242 . 28 GLU CA C 59.9 0.2 1 243 . 28 GLU HA H 3.56 0.02 1 244 . 28 GLU CB C 29.9 0.2 1 245 . 28 GLU HB2 H 1.93 0.02 2 246 . 28 GLU HB3 H 1.53 0.02 2 247 . 28 GLU CG C 37.6 0.2 1 248 . 28 GLU HG2 H 1.89 0.02 2 249 . 28 GLU HG3 H 2.24 0.02 2 250 . 29 ASP N N 119.9 0.2 1 251 . 29 ASP H H 8.19 0.02 1 252 . 29 ASP CA C 58.4 0.2 1 253 . 29 ASP HA H 4.63 0.02 1 254 . 29 ASP CB C 40.4 0.2 1 255 . 29 ASP HB2 H 2.85 0.02 2 256 . 29 ASP HB3 H 3.00 0.02 2 257 . 30 ARG N N 120.5 0.2 1 258 . 30 ARG H H 8.21 0.02 1 259 . 30 ARG CA C 59.6 0.2 1 260 . 30 ARG HA H 3.97 0.02 1 261 . 30 ARG CB C 29.9 0.2 1 262 . 30 ARG HB2 H 1.86 0.02 1 263 . 30 ARG HB3 H 1.86 0.02 1 264 . 30 ARG CG C 27.9 0.2 1 265 . 30 ARG HG2 H 1.50 0.02 2 266 . 30 ARG HG3 H 1.72 0.02 2 267 . 30 ARG CD C 43.6 0.2 1 268 . 30 ARG HD2 H 3.16 0.02 2 269 . 30 ARG HD3 H 3.20 0.02 2 270 . 30 ARG NE N 85.1 0.2 1 271 . 30 ARG HE H 7.46 0.02 1 272 . 31 TYR N N 121.4 0.2 1 273 . 31 TYR H H 8.29 0.02 1 274 . 31 TYR CA C 62.2 0.2 1 275 . 31 TYR HA H 3.79 0.02 1 276 . 31 TYR CB C 38.2 0.2 1 277 . 31 TYR HB2 H 2.57 0.02 2 278 . 31 TYR HB3 H 2.83 0.02 2 279 . 31 TYR HD1 H 6.90 0.02 1 280 . 31 TYR HD2 H 6.90 0.02 1 281 . 31 TYR HE1 H 6.82 0.02 1 282 . 31 TYR HE2 H 6.82 0.02 1 283 . 32 TYR N N 120.8 0.2 1 284 . 32 TYR H H 8.96 0.02 1 285 . 32 TYR CA C 62.9 0.2 1 286 . 32 TYR HA H 4.08 0.02 1 287 . 32 TYR CB C 38.2 0.2 1 288 . 32 TYR HB2 H 3.48 0.02 2 289 . 32 TYR HB3 H 3.22 0.02 2 290 . 32 TYR HD1 H 7.48 0.02 1 291 . 32 TYR HD2 H 7.48 0.02 1 292 . 32 TYR HE1 H 6.97 0.02 1 293 . 32 TYR HE2 H 6.97 0.02 1 294 . 33 ARG N N 118.1 0.2 1 295 . 33 ARG H H 7.99 0.02 1 296 . 33 ARG CA C 60.0 0.2 1 297 . 33 ARG HA H 3.89 0.02 1 298 . 33 ARG CB C 29.9 0.2 1 299 . 33 ARG HB2 H 2.04 0.02 2 300 . 33 ARG HB3 H 1.92 0.02 2 301 . 33 ARG CG C 28.3 0.2 1 302 . 33 ARG HG2 H 1.70 0.02 2 303 . 33 ARG HG3 H 2.00 0.02 2 304 . 33 ARG CD C 43.4 0.2 1 305 . 33 ARG HD2 H 3.35 0.02 2 306 . 33 ARG HD3 H 3.24 0.02 2 307 . 33 ARG NE N 84.1 0.2 1 308 . 33 ARG HE H 7.48 0.02 1 309 . 34 GLU N N 116.6 0.2 1 310 . 34 GLU H H 8.05 0.02 1 311 . 34 GLU CA C 58.1 0.2 1 312 . 34 GLU HA H 4.03 0.02 1 313 . 34 GLU CB C 29.6 0.2 1 314 . 34 GLU HB2 H 1.85 0.02 1 315 . 34 GLU HB3 H 1.85 0.02 1 316 . 34 GLU CG C 35.9 0.2 1 317 . 34 GLU HG2 H 2.20 0.02 2 318 . 34 GLU HG3 H 2.39 0.02 2 319 . 35 ASN N N 114.8 0.2 1 320 . 35 ASN H H 7.59 0.02 1 321 . 35 ASN CA C 54.9 0.2 1 322 . 35 ASN HA H 4.25 0.02 1 323 . 35 ASN CB C 41.0 0.2 1 324 . 35 ASN HB2 H 2.12 0.02 1 325 . 35 ASN HB3 H 2.12 0.02 1 326 . 35 ASN ND2 N 117.1 0.2 1 327 . 35 ASN HD21 H 6.68 0.02 2 328 . 35 ASN HD22 H 6.58 0.02 2 329 . 36 MET N N 119.6 0.2 1 330 . 36 MET H H 8.10 0.02 1 331 . 36 MET CA C 59.3 0.2 1 332 . 36 MET HA H 3.41 0.02 1 333 . 36 MET CB C 30.3 0.2 1 334 . 36 MET HB2 H 1.62 0.02 2 335 . 36 MET HB3 H 1.28 0.02 2 336 . 36 MET CG C 30.7 0.2 1 337 . 36 MET HG2 H 2.49 0.02 2 338 . 36 MET HG3 H 2.10 0.02 2 339 . 36 MET HE H 1.99 0.02 1 340 . 36 MET CE C 17.7 0.2 1 341 . 37 HIS N N 115.1 0.2 1 342 . 37 HIS H H 8.08 0.02 1 343 . 37 HIS CA C 57.7 0.2 1 344 . 37 HIS HA H 4.20 0.02 1 345 . 37 HIS CB C 27.4 0.2 1 346 . 37 HIS HB2 H 3.04 0.02 2 347 . 37 HIS HB3 H 3.27 0.02 2 348 . 37 HIS HD2 H 7.35 0.02 1 349 . 38 ARG N N 118.1 0.2 1 350 . 38 ARG H H 7.60 0.02 1 351 . 38 ARG CA C 56.3 0.2 1 352 . 38 ARG HA H 4.10 0.02 1 353 . 38 ARG CB C 30.6 0.2 1 354 . 38 ARG HB2 H 1.35 0.02 2 355 . 38 ARG HB3 H 2.05 0.02 2 356 . 38 ARG CG C 27.4 0.2 1 357 . 38 ARG HG2 H 1.34 0.02 2 358 . 38 ARG HG3 H 0.31 0.02 2 359 . 38 ARG CD C 44.2 0.2 1 360 . 38 ARG HD2 H 3.04 0.02 2 361 . 38 ARG HD3 H 3.21 0.02 2 362 . 38 ARG NE N 84.1 0.2 1 363 . 38 ARG HE H 7.37 0.02 1 364 . 39 TYR N N 120.9 0.2 1 365 . 39 TYR H H 7.44 0.02 1 366 . 39 TYR CA C 52.6 0.2 1 367 . 39 TYR HA H 5.00 0.02 1 368 . 39 TYR CB C 35.0 0.2 1 369 . 39 TYR HB2 H 3.07 0.02 1 370 . 39 TYR HB3 H 3.07 0.02 1 371 . 39 TYR HD1 H 6.83 0.02 1 372 . 39 TYR HD2 H 6.83 0.02 1 373 . 39 TYR HE1 H 6.49 0.02 1 374 . 39 TYR HE2 H 6.49 0.02 1 375 . 40 PRO CD C 50.1 0.2 1 376 . 40 PRO CA C 63.7 0.2 1 377 . 40 PRO HA H 4.37 0.02 1 378 . 40 PRO CB C 32.4 0.2 1 379 . 40 PRO HB2 H 1.65 0.02 2 380 . 40 PRO HB3 H 2.41 0.02 2 381 . 40 PRO CG C 27.4 0.2 1 382 . 40 PRO HG2 H 1.52 0.02 2 383 . 40 PRO HG3 H 1.30 0.02 2 384 . 40 PRO HD2 H 3.10 0.02 2 385 . 40 PRO HD3 H 3.33 0.02 2 386 . 41 ASN N N 116.6 0.2 1 387 . 41 ASN H H 8.53 0.02 1 388 . 41 ASN CA C 51.9 0.2 1 389 . 41 ASN HA H 4.67 0.02 1 390 . 41 ASN CB C 38.4 0.2 1 391 . 41 ASN HB2 H 3.60 0.02 2 392 . 41 ASN HB3 H 2.41 0.02 2 393 . 41 ASN ND2 N 109.4 0.2 1 394 . 41 ASN HD21 H 7.47 0.02 2 395 . 41 ASN HD22 H 6.77 0.02 2 396 . 42 GLN N N 114.1 0.2 1 397 . 42 GLN H H 7.25 0.02 1 398 . 42 GLN CA C 54.1 0.2 1 399 . 42 GLN HA H 4.55 0.02 1 400 . 42 GLN CB C 33.7 0.2 1 401 . 42 GLN HB2 H 1.67 0.02 2 402 . 42 GLN HB3 H 1.93 0.02 2 403 . 42 GLN CG C 34.2 0.2 1 404 . 42 GLN HG2 H 2.11 0.02 2 405 . 42 GLN HG3 H 2.00 0.02 2 406 . 42 GLN NE2 N 112.7 0.2 1 407 . 42 GLN HE21 H 7.82 0.02 2 408 . 42 GLN HE22 H 6.97 0.02 2 409 . 43 VAL N N 112.9 0.2 1 410 . 43 VAL H H 8.44 0.02 1 411 . 43 VAL CA C 58.9 0.2 1 412 . 43 VAL HA H 4.86 0.02 1 413 . 43 VAL CB C 34.0 0.2 1 414 . 43 VAL HB H 2.52 0.02 1 415 . 43 VAL HG1 H 0.93 0.02 2 416 . 43 VAL HG2 H 0.71 0.02 2 417 . 43 VAL CG1 C 23.9 0.2 1 418 . 43 VAL CG2 C 18.4 0.2 1 419 . 44 TYR N N 121.4 0.2 1 420 . 44 TYR H H 8.52 0.02 1 421 . 44 TYR CA C 56.9 0.2 1 422 . 44 TYR HA H 5.51 0.02 1 423 . 44 TYR CB C 42.1 0.2 1 424 . 44 TYR HB2 H 2.52 0.02 2 425 . 44 TYR HB3 H 2.56 0.02 2 426 . 44 TYR HD1 H 6.88 0.02 1 427 . 44 TYR HD2 H 6.88 0.02 1 428 . 44 TYR HE1 H 6.73 0.02 1 429 . 44 TYR HE2 H 6.73 0.02 1 430 . 45 TYR N N 111.3 0.2 1 431 . 45 TYR H H 8.64 0.02 1 432 . 45 TYR CA C 55.9 0.2 1 433 . 45 TYR HA H 4.78 0.02 1 434 . 45 TYR CB C 40.1 0.2 1 435 . 45 TYR HB2 H 2.70 0.02 2 436 . 45 TYR HB3 H 2.85 0.02 2 437 . 45 TYR HD1 H 7.24 0.02 1 438 . 45 TYR HD2 H 7.24 0.02 1 439 . 45 TYR HE1 H 6.50 0.02 1 440 . 45 TYR HE2 H 6.50 0.02 1 441 . 46 ARG N N 121.4 0.2 1 442 . 46 ARG H H 8.07 0.02 1 443 . 46 ARG CA C 53.6 0.2 1 444 . 46 ARG HA H 4.59 0.02 1 445 . 46 ARG CB C 27.9 0.2 1 446 . 46 ARG HB2 H 1.02 0.02 1 447 . 46 ARG HB3 H 1.02 0.02 1 448 . 46 ARG CG C 27.9 0.2 1 449 . 46 ARG HG2 H 1.16 0.02 1 450 . 46 ARG HG3 H 1.16 0.02 1 451 . 46 ARG CD C 43.4 0.2 1 452 . 46 ARG HD2 H 2.94 0.02 2 453 . 46 ARG HD3 H 2.90 0.02 2 454 . 46 ARG NE N 84.6 0.2 1 455 . 46 ARG HE H 7.02 0.02 1 456 . 47 PRO CD C 49.9 0.2 1 457 . 47 PRO CA C 64.3 0.2 1 458 . 47 PRO HA H 4.39 0.02 1 459 . 47 PRO CB C 32.9 0.2 1 460 . 47 PRO HB2 H 2.48 0.02 2 461 . 47 PRO HB3 H 1.95 0.02 2 462 . 47 PRO CG C 28.4 0.2 1 463 . 47 PRO HG2 H 2.15 0.02 2 464 . 47 PRO HG3 H 1.98 0.02 2 465 . 47 PRO HD2 H 3.45 0.02 2 466 . 47 PRO HD3 H 3.66 0.02 2 467 . 48 CYS N N 118.3 0.2 1 468 . 48 CYS H H 8.28 0.02 1 469 . 48 CYS CA C 60.9 0.2 1 470 . 48 CYS HA H 4.66 0.02 1 471 . 48 CYS CB C 41.4 0.2 1 472 . 48 CYS HB2 H 3.05 0.02 2 473 . 48 CYS HB3 H 3.12 0.02 2 474 . 49 ASP N N 116.4 0.2 1 475 . 49 ASP H H 8.56 0.02 1 476 . 49 ASP CA C 54.8 0.2 1 477 . 49 ASP HA H 4.46 0.02 1 478 . 49 ASP CB C 39.1 0.2 1 479 . 49 ASP HB2 H 2.84 0.02 2 480 . 49 ASP HB3 H 2.56 0.02 2 481 . 50 GLU N N 117.9 0.2 1 482 . 50 GLU H H 8.10 0.02 1 483 . 50 GLU CA C 56.4 0.2 1 484 . 50 GLU HA H 4.14 0.02 1 485 . 50 GLU CB C 27.9 0.2 1 486 . 50 GLU HB2 H 1.86 0.02 2 487 . 50 GLU HB3 H 1.76 0.02 2 488 . 50 GLU CG C 35.4 0.2 1 489 . 50 GLU HG2 H 2.19 0.02 2 490 . 50 GLU HG3 H 2.30 0.02 2 491 . 51 TYR N N 117.0 0.2 1 492 . 51 TYR H H 7.89 0.02 1 493 . 51 TYR CA C 57.4 0.2 1 494 . 51 TYR HA H 4.82 0.02 1 495 . 51 TYR CB C 42.1 0.2 1 496 . 51 TYR HB2 H 3.26 0.02 2 497 . 51 TYR HB3 H 3.07 0.02 2 498 . 51 TYR HD1 H 7.33 0.02 1 499 . 51 TYR HD2 H 7.33 0.02 1 500 . 51 TYR HE1 H 6.86 0.02 1 501 . 51 TYR HE2 H 6.86 0.02 1 502 . 52 SER N N 115.1 0.2 1 503 . 52 SER H H 9.15 0.02 1 504 . 52 SER CA C 58.5 0.2 1 505 . 52 SER HA H 4.57 0.02 1 506 . 52 SER CB C 64.3 0.2 1 507 . 52 SER HB2 H 4.03 0.02 2 508 . 52 SER HB3 H 3.90 0.02 2 509 . 53 ASN N N 115.3 0.2 1 510 . 53 ASN H H 7.61 0.02 1 511 . 53 ASN CA C 52.5 0.2 1 512 . 53 ASN HA H 4.75 0.02 1 513 . 53 ASN CB C 40.6 0.2 1 514 . 53 ASN HB2 H 3.08 0.02 2 515 . 53 ASN HB3 H 2.93 0.02 2 516 . 53 ASN ND2 N 113.6 0.2 1 517 . 53 ASN HD21 H 7.49 0.02 2 518 . 53 ASN HD22 H 6.70 0.02 2 519 . 54 GLN N N 120.3 0.2 1 520 . 54 GLN H H 8.61 0.02 1 521 . 54 GLN CA C 58.9 0.2 1 522 . 54 GLN HA H 2.52 0.02 1 523 . 54 GLN CB C 29.9 0.2 1 524 . 54 GLN HB2 H 1.74 0.02 2 525 . 54 GLN HB3 H 1.56 0.02 2 526 . 54 GLN CG C 33.9 0.2 1 527 . 54 GLN HG2 H 1.34 0.02 2 528 . 54 GLN HG3 H 1.84 0.02 2 529 . 54 GLN NE2 N 112.1 0.2 1 530 . 54 GLN HE21 H 7.36 0.02 2 531 . 54 GLN HE22 H 6.95 0.02 2 532 . 55 ASN N N 117.6 0.2 1 533 . 55 ASN H H 8.44 0.02 1 534 . 55 ASN CA C 56.6 0.2 1 535 . 55 ASN HA H 4.19 0.02 1 536 . 55 ASN CB C 37.9 0.2 1 537 . 55 ASN HB2 H 2.63 0.02 2 538 . 55 ASN HB3 H 2.73 0.02 2 539 . 55 ASN ND2 N 112.9 0.2 1 540 . 55 ASN HD21 H 7.58 0.02 2 541 . 55 ASN HD22 H 6.95 0.02 2 542 . 56 ASN N N 118.4 0.2 1 543 . 56 ASN H H 8.53 0.02 1 544 . 56 ASN CA C 56.0 0.2 1 545 . 56 ASN HA H 4.52 0.02 1 546 . 56 ASN CB C 38.1 0.2 1 547 . 56 ASN HB2 H 2.91 0.02 2 548 . 56 ASN HB3 H 3.19 0.02 2 549 . 56 ASN ND2 N 111.5 0.2 1 550 . 56 ASN HD21 H 7.68 0.02 2 551 . 56 ASN HD22 H 7.18 0.02 2 552 . 57 PHE N N 121.3 0.2 1 553 . 57 PHE H H 7.12 0.02 1 554 . 57 PHE CA C 61.1 0.2 1 555 . 57 PHE HA H 2.77 0.02 1 556 . 57 PHE CB C 38.9 0.2 1 557 . 57 PHE HB2 H 2.91 0.02 2 558 . 57 PHE HB3 H 2.37 0.02 2 559 . 57 PHE HD1 H 7.66 0.02 1 560 . 57 PHE HD2 H 7.66 0.02 1 561 . 57 PHE HE1 H 6.70 0.02 1 562 . 57 PHE HE2 H 6.70 0.02 1 563 . 58 VAL N N 120.4 0.2 1 564 . 58 VAL H H 8.93 0.02 1 565 . 58 VAL CA C 67.6 0.2 1 566 . 58 VAL HA H 3.35 0.02 1 567 . 58 VAL CB C 32.1 0.2 1 568 . 58 VAL HB H 2.15 0.02 1 569 . 58 VAL HG1 H 1.00 0.02 2 570 . 58 VAL HG2 H 1.02 0.02 2 571 . 58 VAL CG1 C 21.8 0.2 1 572 . 58 VAL CG2 C 24.9 0.2 1 573 . 59 HIS N N 116.6 0.2 1 574 . 59 HIS H H 8.29 0.02 1 575 . 59 HIS CA C 59.3 0.2 1 576 . 59 HIS HA H 4.26 0.02 1 577 . 59 HIS CB C 28.3 0.2 1 578 . 59 HIS HB2 H 3.32 0.02 2 579 . 59 HIS HB3 H 3.37 0.02 2 580 . 59 HIS HD2 H 7.38 0.02 1 581 . 59 HIS HE1 H 8.63 0.02 1 582 . 60 ASP N N 118.6 0.2 1 583 . 60 ASP H H 7.39 0.02 1 584 . 60 ASP CA C 57.1 0.2 1 585 . 60 ASP HA H 4.53 0.02 1 586 . 60 ASP CB C 40.6 0.2 1 587 . 60 ASP HB2 H 2.94 0.02 2 588 . 60 ASP HB3 H 2.85 0.02 2 589 . 61 CYS N N 120.1 0.2 1 590 . 61 CYS H H 8.16 0.02 1 591 . 61 CYS CA C 58.8 0.2 1 592 . 61 CYS HA H 4.62 0.02 1 593 . 61 CYS CB C 40.9 0.2 1 594 . 61 CYS HB2 H 2.73 0.02 2 595 . 61 CYS HB3 H 3.10 0.02 2 596 . 62 VAL N N 124.6 0.2 1 597 . 62 VAL H H 9.21 0.02 1 598 . 62 VAL CA C 66.4 0.2 1 599 . 62 VAL HA H 3.60 0.02 1 600 . 62 VAL CB C 31.9 0.2 1 601 . 62 VAL HB H 2.11 0.02 1 602 . 62 VAL HG1 H 0.92 0.02 2 603 . 62 VAL HG2 H 1.03 0.02 2 604 . 62 VAL CG1 C 21.6 0.2 1 605 . 62 VAL CG2 C 23.6 0.2 1 606 . 63 ASN N N 116.3 0.2 1 607 . 63 ASN H H 7.53 0.02 1 608 . 63 ASN CA C 56.6 0.2 1 609 . 63 ASN HA H 4.28 0.02 1 610 . 63 ASN CB C 38.9 0.2 1 611 . 63 ASN HB2 H 2.82 0.02 2 612 . 63 ASN HB3 H 2.75 0.02 2 613 . 63 ASN ND2 N 111.9 0.2 1 614 . 63 ASN HD21 H 7.62 0.02 2 615 . 63 ASN HD22 H 6.76 0.02 2 616 . 64 ILE N N 118.8 0.2 1 617 . 64 ILE H H 8.71 0.02 1 618 . 64 ILE CA C 62.7 0.2 1 619 . 64 ILE HA H 3.69 0.02 1 620 . 64 ILE CB C 36.9 0.2 1 621 . 64 ILE HB H 1.53 0.02 1 622 . 64 ILE HG2 H 0.23 0.02 1 623 . 64 ILE CG2 C 18.4 0.2 1 624 . 64 ILE CG1 C 27.9 0.2 1 625 . 64 ILE HG12 H 0.90 0.02 2 626 . 64 ILE HG13 H 0.79 0.02 2 627 . 64 ILE HD1 H 0.41 0.02 1 628 . 64 ILE CD1 C 11.9 0.2 1 629 . 65 THR N N 117.9 0.2 1 630 . 65 THR H H 8.12 0.02 1 631 . 65 THR CA C 68.8 0.2 1 632 . 65 THR HA H 4.01 0.02 1 633 . 65 THR CB C 68.3 0.2 1 634 . 65 THR HB H 4.45 0.02 1 635 . 65 THR HG2 H 1.45 0.02 1 636 . 65 THR CG2 C 22.3 0.2 1 637 . 66 ILE N N 120.9 0.2 1 638 . 66 ILE H H 8.56 0.02 1 639 . 66 ILE CA C 65.5 0.2 1 640 . 66 ILE HA H 3.69 0.02 1 641 . 66 ILE CB C 36.7 0.2 1 642 . 66 ILE HB H 2.07 0.02 1 643 . 66 ILE HG2 H 0.85 0.02 1 644 . 66 ILE CG2 C 16.9 0.2 1 645 . 66 ILE CG1 C 29.6 0.2 1 646 . 66 ILE HG12 H 1.75 0.02 2 647 . 66 ILE HG13 H 1.22 0.02 2 648 . 66 ILE HD1 H 0.73 0.02 1 649 . 66 ILE CD1 C 12.7 0.2 1 650 . 67 LYS N N 122.7 0.2 1 651 . 67 LYS H H 8.01 0.02 1 652 . 67 LYS CA C 60.0 0.2 1 653 . 67 LYS HA H 4.04 0.02 1 654 . 67 LYS CB C 32.2 0.2 1 655 . 67 LYS HB2 H 1.84 0.02 2 656 . 67 LYS HB3 H 1.91 0.02 2 657 . 67 LYS CG C 25.1 0.2 1 658 . 67 LYS HG2 H 1.45 0.02 2 659 . 67 LYS HG3 H 1.36 0.02 2 660 . 67 LYS CD C 29.2 0.2 1 661 . 67 LYS HD2 H 1.59 0.02 1 662 . 67 LYS HD3 H 1.59 0.02 1 663 . 67 LYS CE C 42.1 0.2 1 664 . 67 LYS HE2 H 2.89 0.02 1 665 . 67 LYS HE3 H 2.89 0.02 1 666 . 68 GLN N N 116.4 0.2 1 667 . 68 GLN H H 8.28 0.02 1 668 . 68 GLN CA C 57.6 0.2 1 669 . 68 GLN HA H 4.00 0.02 1 670 . 68 GLN CB C 28.1 0.2 1 671 . 68 GLN HB2 H 1.83 0.02 2 672 . 68 GLN HB3 H 1.92 0.02 2 673 . 68 GLN CG C 33.3 0.2 1 674 . 68 GLN HG2 H 2.04 0.02 2 675 . 68 GLN HG3 H 1.53 0.02 2 676 . 68 GLN NE2 N 110.4 0.2 1 677 . 68 GLN HE21 H 6.76 0.02 2 678 . 68 GLN HE22 H 6.69 0.02 2 679 . 69 HIS N N 117.9 0.2 1 680 . 69 HIS H H 8.13 0.02 1 681 . 69 HIS CA C 58.7 0.2 1 682 . 69 HIS HA H 4.55 0.02 1 683 . 69 HIS CB C 30.4 0.2 1 684 . 69 HIS HB2 H 3.29 0.02 2 685 . 69 HIS HB3 H 3.25 0.02 2 686 . 69 HIS HD2 H 7.29 0.02 1 687 . 70 THR N N 113.9 0.2 1 688 . 70 THR H H 8.21 0.02 1 689 . 70 THR CA C 65.1 0.2 1 690 . 70 THR HA H 4.17 0.02 1 691 . 70 THR CB C 69.4 0.2 1 692 . 70 THR HB H 4.39 0.02 1 693 . 70 THR HG2 H 1.21 0.02 1 694 . 70 THR CG2 C 21.6 0.2 1 695 . 71 VAL N N 122.1 0.2 1 696 . 71 VAL H H 7.99 0.02 1 697 . 71 VAL CA C 65.0 0.2 1 698 . 71 VAL HA H 3.99 0.02 1 699 . 71 VAL CB C 32.1 0.2 1 700 . 71 VAL HB H 2.18 0.02 1 701 . 71 VAL HG1 H 0.93 0.02 2 702 . 71 VAL HG2 H 1.00 0.02 2 703 . 71 VAL CG1 C 21.1 0.2 1 704 . 71 VAL CG2 C 21.9 0.2 1 705 . 72 THR N N 115.1 0.2 1 706 . 72 THR H H 8.04 0.02 1 707 . 72 THR CA C 63.9 0.2 1 708 . 72 THR HA H 4.22 0.02 1 709 . 72 THR CB C 69.5 0.2 1 710 . 72 THR HB H 4.25 0.02 1 711 . 72 THR HG2 H 1.24 0.02 1 712 . 72 THR CG2 C 21.6 0.2 1 713 . 73 THR N N 114.9 0.2 1 714 . 73 THR H H 7.99 0.02 1 715 . 73 THR CA C 64.1 0.2 1 716 . 73 THR HA H 4.20 0.02 1 717 . 73 THR CB C 69.1 0.2 1 718 . 73 THR HB H 4.15 0.02 1 719 . 73 THR HG2 H 1.01 0.02 1 720 . 73 THR CG2 C 21.6 0.2 1 721 . 74 THR N N 116.6 0.2 1 722 . 74 THR H H 8.17 0.02 1 723 . 74 THR CA C 63.9 0.2 1 724 . 74 THR HA H 4.36 0.02 1 725 . 74 THR CB C 69.4 0.2 1 726 . 74 THR HB H 4.33 0.02 1 727 . 74 THR HG2 H 1.25 0.02 1 728 . 74 THR CG2 C 21.6 0.2 1 729 . 75 THR N N 116.2 0.2 1 730 . 75 THR H H 7.93 0.02 1 731 . 75 THR CA C 63.9 0.2 1 732 . 75 THR HA H 4.22 0.02 1 733 . 75 THR CB C 69.4 0.2 1 734 . 75 THR HB H 4.25 0.02 1 735 . 75 THR HG2 H 1.24 0.02 1 736 . 75 THR CG2 C 21.6 0.2 1 737 . 76 LYS N N 121.4 0.2 1 738 . 76 LYS H H 7.86 0.02 1 739 . 76 LYS CA C 56.7 0.2 1 740 . 76 LYS HA H 4.31 0.02 1 741 . 76 LYS CB C 32.5 0.2 1 742 . 76 LYS HB2 H 1.92 0.02 2 743 . 76 LYS HB3 H 1.79 0.02 2 744 . 76 LYS CG C 24.9 0.2 1 745 . 76 LYS HG2 H 1.48 0.02 2 746 . 76 LYS HG3 H 1.42 0.02 2 747 . 76 LYS CD C 29.1 0.2 1 748 . 76 LYS HD2 H 1.65 0.02 1 749 . 76 LYS HD3 H 1.65 0.02 1 750 . 76 LYS CE C 42.1 0.2 1 751 . 76 LYS HE2 H 2.95 0.02 1 752 . 76 LYS HE3 H 2.95 0.02 1 753 . 77 GLY N N 109.2 0.2 1 754 . 77 GLY H H 8.13 0.02 1 755 . 77 GLY CA C 45.5 0.2 1 756 . 77 GLY HA2 H 4.02 0.02 2 757 . 77 GLY HA3 H 3.81 0.02 2 758 . 78 GLU N N 120.1 0.2 1 759 . 78 GLU H H 7.72 0.02 1 760 . 78 GLU CA C 55.8 0.2 1 761 . 78 GLU HA H 4.22 0.02 1 762 . 78 GLU CB C 30.6 0.2 1 763 . 78 GLU HB2 H 1.63 0.02 1 764 . 78 GLU HB3 H 1.63 0.02 1 765 . 78 GLU CG C 35.6 0.2 1 766 . 78 GLU HG2 H 2.08 0.02 2 767 . 78 GLU HG3 H 2.03 0.02 2 768 . 79 ASN N N 119.9 0.2 1 769 . 79 ASN H H 8.45 0.02 1 770 . 79 ASN CA C 52.9 0.2 1 771 . 79 ASN HA H 4.62 0.02 1 772 . 79 ASN CB C 40.1 0.2 1 773 . 79 ASN HB2 H 2.66 0.02 2 774 . 79 ASN HB3 H 2.59 0.02 2 775 . 79 ASN ND2 N 113.1 0.2 1 776 . 79 ASN HD21 H 7.53 0.02 2 777 . 79 ASN HD22 H 6.82 0.02 2 778 . 80 PHE N N 122.1 0.2 1 779 . 80 PHE H H 8.65 0.02 1 780 . 80 PHE CA C 56.8 0.2 1 781 . 80 PHE HA H 5.23 0.02 1 782 . 80 PHE CB C 40.0 0.2 1 783 . 80 PHE HB2 H 3.13 0.02 2 784 . 80 PHE HB3 H 2.94 0.02 2 785 . 80 PHE HD1 H 7.31 0.02 1 786 . 80 PHE HD2 H 7.31 0.02 1 787 . 80 PHE HE1 H 7.42 0.02 1 788 . 80 PHE HE2 H 7.42 0.02 1 789 . 81 THR N N 116.4 0.2 1 790 . 81 THR H H 9.50 0.02 1 791 . 81 THR CA C 60.5 0.2 1 792 . 81 THR HA H 4.58 0.02 1 793 . 81 THR CB C 72.1 0.2 1 794 . 81 THR HB H 4.80 0.02 1 795 . 81 THR HG2 H 1.40 0.02 1 796 . 81 THR CG2 C 21.6 0.2 1 797 . 82 GLU N N 120.1 0.2 1 798 . 82 GLU H H 9.11 0.02 1 799 . 82 GLU CA C 59.8 0.2 1 800 . 82 GLU HA H 4.05 0.02 1 801 . 82 GLU CB C 28.9 0.2 1 802 . 82 GLU HB2 H 2.11 0.02 2 803 . 82 GLU HB3 H 2.04 0.02 2 804 . 82 GLU CG C 35.6 0.2 1 805 . 82 GLU HG2 H 2.40 0.02 2 806 . 82 GLU HG3 H 2.33 0.02 2 807 . 83 THR N N 116.4 0.2 1 808 . 83 THR H H 7.95 0.02 1 809 . 83 THR CA C 66.9 0.2 1 810 . 83 THR HA H 3.76 0.02 1 811 . 83 THR CB C 68.7 0.2 1 812 . 83 THR HB H 3.69 0.02 1 813 . 83 THR HG2 H 0.69 0.02 1 814 . 83 THR CG2 C 21.0 0.2 1 815 . 84 ASP N N 120.3 0.2 1 816 . 84 ASP H H 7.47 0.02 1 817 . 84 ASP CA C 58.0 0.2 1 818 . 84 ASP HA H 4.53 0.02 1 819 . 84 ASP CB C 41.6 0.2 1 820 . 84 ASP HB2 H 3.29 0.02 2 821 . 84 ASP HB3 H 2.52 0.02 2 822 . 85 VAL N N 119.7 0.2 1 823 . 85 VAL H H 8.22 0.02 1 824 . 85 VAL CA C 67.7 0.2 1 825 . 85 VAL HA H 3.28 0.02 1 826 . 85 VAL CB C 31.6 0.2 1 827 . 85 VAL HB H 2.08 0.02 1 828 . 85 VAL HG1 H 0.86 0.02 2 829 . 85 VAL HG2 H 0.96 0.02 2 830 . 85 VAL CG1 C 21.2 0.2 1 831 . 85 VAL CG2 C 22.9 0.2 1 832 . 86 LYS N N 119.1 0.2 1 833 . 86 LYS H H 7.71 0.02 1 834 . 86 LYS CA C 59.5 0.2 1 835 . 86 LYS HA H 4.04 0.02 1 836 . 86 LYS CB C 32.1 0.2 1 837 . 86 LYS HB2 H 1.92 0.02 2 838 . 86 LYS HB3 H 1.88 0.02 2 839 . 86 LYS CG C 25.2 0.2 1 840 . 86 LYS HG2 H 1.60 0.02 2 841 . 86 LYS HG3 H 1.42 0.02 2 842 . 86 LYS CD C 29.0 0.2 1 843 . 86 LYS HD2 H 1.66 0.02 1 844 . 86 LYS HD3 H 1.66 0.02 1 845 . 86 LYS CE C 41.8 0.2 1 846 . 86 LYS HE2 H 2.90 0.02 1 847 . 86 LYS HE3 H 2.90 0.02 1 848 . 87 MET N N 118.8 0.2 1 849 . 87 MET H H 8.20 0.02 1 850 . 87 MET CA C 60.2 0.2 1 851 . 87 MET HA H 4.11 0.02 1 852 . 87 MET CB C 32.6 0.2 1 853 . 87 MET HB2 H 2.25 0.02 2 854 . 87 MET HB3 H 1.91 0.02 2 855 . 87 MET CG C 34.1 0.2 1 856 . 87 MET HG2 H 2.13 0.02 2 857 . 87 MET HG3 H 2.90 0.02 2 858 . 87 MET HE H 1.44 0.02 1 859 . 87 MET CE C 18.2 0.2 1 860 . 88 MET N N 118.4 0.2 1 861 . 88 MET H H 8.73 0.02 1 862 . 88 MET CA C 59.7 0.2 1 863 . 88 MET HA H 3.52 0.02 1 864 . 88 MET CB C 33.4 0.2 1 865 . 88 MET HB2 H 1.86 0.02 2 866 . 88 MET HB3 H 1.65 0.02 2 867 . 88 MET CG C 32.6 0.2 1 868 . 88 MET HG2 H 1.69 0.02 2 869 . 88 MET HG3 H 1.89 0.02 2 870 . 88 MET HE H 1.38 0.02 1 871 . 88 MET CE C 16.2 0.2 1 872 . 89 GLU N N 118.4 0.2 1 873 . 89 GLU H H 8.38 0.02 1 874 . 89 GLU CA C 60.6 0.2 1 875 . 89 GLU HA H 3.63 0.02 1 876 . 89 GLU CB C 28.1 0.2 1 877 . 89 GLU HB2 H 2.03 0.02 2 878 . 89 GLU HB3 H 2.18 0.02 2 879 . 89 GLU CG C 35.1 0.2 1 880 . 89 GLU HG2 H 2.17 0.02 2 881 . 89 GLU HG3 H 2.53 0.02 2 882 . 90 ARG N N 117.1 0.2 1 883 . 90 ARG H H 7.33 0.02 1 884 . 90 ARG CA C 58.4 0.2 1 885 . 90 ARG HA H 4.15 0.02 1 886 . 90 ARG CB C 29.9 0.2 1 887 . 90 ARG HB2 H 1.91 0.02 2 888 . 90 ARG HB3 H 2.08 0.02 2 889 . 90 ARG CG C 26.9 0.2 1 890 . 90 ARG HG2 H 1.80 0.02 2 891 . 90 ARG HG3 H 1.73 0.02 2 892 . 90 ARG CD C 42.5 0.2 1 893 . 90 ARG HD2 H 3.22 0.02 2 894 . 90 ARG HD3 H 3.13 0.02 2 895 . 90 ARG NE N 83.4 0.2 1 896 . 90 ARG HE H 7.26 0.02 1 897 . 91 VAL N N 119.3 0.2 1 898 . 91 VAL H H 8.21 0.02 1 899 . 91 VAL CA C 65.9 0.2 1 900 . 91 VAL HA H 3.75 0.02 1 901 . 91 VAL CB C 32.2 0.2 1 902 . 91 VAL HB H 2.31 0.02 1 903 . 91 VAL HG1 H 1.23 0.02 2 904 . 91 VAL HG2 H 1.30 0.02 2 905 . 91 VAL CG1 C 21.0 0.2 1 906 . 91 VAL CG2 C 24.1 0.2 1 907 . 92 VAL N N 121.0 0.2 1 908 . 92 VAL H H 8.92 0.02 1 909 . 92 VAL CA C 66.5 0.2 1 910 . 92 VAL HA H 3.60 0.02 1 911 . 92 VAL CB C 31.3 0.2 1 912 . 92 VAL HB H 2.23 0.02 1 913 . 92 VAL HG1 H 1.18 0.02 2 914 . 92 VAL HG2 H 0.93 0.02 2 915 . 92 VAL CG1 C 24.6 0.2 1 916 . 92 VAL CG2 C 24.1 0.2 1 917 . 93 GLU N N 120.6 0.2 1 918 . 93 GLU H H 8.17 0.02 1 919 . 93 GLU CA C 60.9 0.2 1 920 . 93 GLU HA H 3.54 0.02 1 921 . 93 GLU CB C 28.9 0.2 1 922 . 93 GLU HB2 H 2.12 0.02 2 923 . 93 GLU HB3 H 2.19 0.02 2 924 . 93 GLU CG C 35.6 0.2 1 925 . 93 GLU HG2 H 2.15 0.02 2 926 . 93 GLU HG3 H 2.10 0.02 2 927 . 94 GLN N N 114.9 0.2 1 928 . 94 GLN H H 7.21 0.02 1 929 . 94 GLN CA C 58.9 0.2 1 930 . 94 GLN HA H 3.93 0.02 1 931 . 94 GLN CB C 27.9 0.2 1 932 . 94 GLN HB2 H 2.10 0.02 2 933 . 94 GLN HB3 H 2.17 0.02 2 934 . 94 GLN CG C 33.7 0.2 1 935 . 94 GLN HG2 H 2.42 0.02 2 936 . 94 GLN HG3 H 2.40 0.02 2 937 . 94 GLN NE2 N 113.3 0.2 1 938 . 94 GLN HE21 H 7.53 0.02 2 939 . 94 GLN HE22 H 6.88 0.02 2 940 . 95 MET N N 119.3 0.2 1 941 . 95 MET H H 8.19 0.02 1 942 . 95 MET CA C 59.9 0.2 1 943 . 95 MET HA H 4.11 0.02 1 944 . 95 MET CB C 34.6 0.2 1 945 . 95 MET HB2 H 2.14 0.02 2 946 . 95 MET HB3 H 2.06 0.02 2 947 . 95 MET CG C 32.4 0.2 1 948 . 95 MET HG2 H 2.43 0.02 2 949 . 95 MET HG3 H 2.79 0.02 2 950 . 95 MET HE H 1.85 0.02 1 951 . 95 MET CE C 16.6 0.2 1 952 . 96 CYS N N 119.3 0.2 1 953 . 96 CYS H H 9.13 0.02 1 954 . 96 CYS CA C 59.9 0.2 1 955 . 96 CYS HA H 4.34 0.02 1 956 . 96 CYS CB C 41.6 0.2 1 957 . 96 CYS HB2 H 3.48 0.02 2 958 . 96 CYS HB3 H 2.80 0.02 2 959 . 97 ILE N N 123.9 0.2 1 960 . 97 ILE H H 8.30 0.02 1 961 . 97 ILE CA C 66.9 0.2 1 962 . 97 ILE HA H 3.44 0.02 1 963 . 97 ILE CB C 38.1 0.2 1 964 . 97 ILE HB H 1.96 0.02 1 965 . 97 ILE HG2 H 0.83 0.02 1 966 . 97 ILE CG2 C 16.9 0.2 1 967 . 97 ILE CG1 C 30.8 0.2 1 968 . 97 ILE HG12 H 1.94 0.02 2 969 . 97 ILE HG13 H 0.81 0.02 2 970 . 97 ILE HD1 H 0.81 0.02 1 971 . 97 ILE CD1 C 14.1 0.2 1 972 . 98 THR N N 117.9 0.2 1 973 . 98 THR H H 8.01 0.02 1 974 . 98 THR CA C 67.1 0.2 1 975 . 98 THR HA H 3.86 0.02 1 976 . 98 THR CB C 68.2 0.2 1 977 . 98 THR HB H 4.24 0.02 1 978 . 98 THR HG2 H 1.16 0.02 1 979 . 98 THR CG2 C 22.2 0.2 1 980 . 99 GLN N N 121.4 0.2 1 981 . 99 GLN H H 8.51 0.02 1 982 . 99 GLN CA C 58.3 0.2 1 983 . 99 GLN HA H 3.60 0.02 1 984 . 99 GLN CB C 28.1 0.2 1 985 . 99 GLN HB2 H 2.12 0.02 2 986 . 99 GLN HB3 H 2.01 0.02 2 987 . 99 GLN CG C 33.0 0.2 1 988 . 99 GLN HG2 H 1.56 0.02 1 989 . 99 GLN HG3 H 1.56 0.02 1 990 . 99 GLN NE2 N 114.3 0.2 1 991 . 99 GLN HE21 H 6.37 0.02 2 992 . 99 GLN HE22 H 7.18 0.02 2 993 . 100 TYR N N 121.6 0.2 1 994 . 100 TYR H H 8.35 0.02 1 995 . 100 TYR CA C 61.6 0.2 1 996 . 100 TYR HA H 3.16 0.02 1 997 . 100 TYR CB C 37.1 0.2 1 998 . 100 TYR HB2 H 2.89 0.02 2 999 . 100 TYR HB3 H 2.63 0.02 2 1000 . 100 TYR HD1 H 6.19 0.02 1 1001 . 100 TYR HD2 H 6.19 0.02 1 1002 . 100 TYR HE1 H 6.54 0.02 1 1003 . 100 TYR HE2 H 6.54 0.02 1 1004 . 101 GLU N N 120.0 0.2 1 1005 . 101 GLU H H 8.11 0.02 1 1006 . 101 GLU CA C 58.9 0.2 1 1007 . 101 GLU HA H 3.74 0.02 1 1008 . 101 GLU CB C 28.1 0.2 1 1009 . 101 GLU HB2 H 2.28 0.02 2 1010 . 101 GLU HB3 H 2.00 0.02 2 1011 . 101 GLU CG C 34.9 0.2 1 1012 . 101 GLU HG2 H 2.60 0.02 2 1013 . 101 GLU HG3 H 2.33 0.02 2 1014 . 102 ARG N N 117.9 0.2 1 1015 . 102 ARG H H 7.84 0.02 1 1016 . 102 ARG CA C 58.4 0.2 1 1017 . 102 ARG HA H 3.95 0.02 1 1018 . 102 ARG CB C 29.9 0.2 1 1019 . 102 ARG HB2 H 1.77 0.02 1 1020 . 102 ARG HB3 H 1.77 0.02 1 1021 . 102 ARG CG C 27.1 0.2 1 1022 . 102 ARG HG2 H 1.52 0.02 2 1023 . 102 ARG HG3 H 1.76 0.02 2 1024 . 102 ARG CD C 43.9 0.2 1 1025 . 102 ARG HD2 H 2.86 0.02 2 1026 . 102 ARG HD3 H 2.99 0.02 2 1027 . 102 ARG NE N 84.4 0.2 1 1028 . 102 ARG HE H 7.16 0.02 1 1029 . 103 CYS N N 117.6 0.2 1 1030 . 103 CYS H H 7.94 0.02 1 1031 . 103 CYS CA C 57.1 0.2 1 1032 . 103 CYS HA H 4.25 0.02 1 1033 . 103 CYS CB C 39.6 0.2 1 1034 . 103 CYS HB2 H 2.98 0.02 1 1035 . 103 CYS HB3 H 2.98 0.02 1 1036 . 104 SER N N 115.6 0.2 1 1037 . 104 SER H H 7.97 0.02 1 1038 . 104 SER CA C 59.9 0.2 1 1039 . 104 SER HA H 4.06 0.02 1 1040 . 104 SER CB C 63.1 0.2 1 1041 . 104 SER HB2 H 3.70 0.02 2 1042 . 104 SER HB3 H 3.51 0.02 2 1043 . 105 GLN N N 120.9 0.2 1 1044 . 105 GLN H H 7.83 0.02 1 1045 . 105 GLN CA C 56.8 0.2 1 1046 . 105 GLN HA H 4.15 0.02 1 1047 . 105 GLN CB C 28.6 0.2 1 1048 . 105 GLN HB2 H 1.99 0.02 2 1049 . 105 GLN HB3 H 2.06 0.02 2 1050 . 105 GLN CG C 33.9 0.2 1 1051 . 105 GLN HG2 H 2.40 0.02 2 1052 . 105 GLN HG3 H 2.34 0.02 2 1053 . 105 GLN NE2 N 111.9 0.2 1 1054 . 105 GLN HE21 H 7.45 0.02 2 1055 . 105 GLN HE22 H 6.77 0.02 2 1056 . 106 ALA N N 122.5 0.2 1 1057 . 106 ALA H H 7.82 0.02 1 1058 . 106 ALA CA C 53.4 0.2 1 1059 . 106 ALA HA H 4.15 0.02 1 1060 . 106 ALA HB H 1.28 0.02 1 1061 . 106 ALA CB C 18.5 0.2 1 1062 . 107 TYR N N 118.1 0.2 1 1063 . 107 TYR H H 7.85 0.02 1 1064 . 107 TYR CA C 58.9 0.2 1 1065 . 107 TYR HA H 4.33 0.02 1 1066 . 107 TYR CB C 38.6 0.2 1 1067 . 107 TYR HB2 H 2.91 0.02 2 1068 . 107 TYR HB3 H 2.88 0.02 2 1069 . 107 TYR HD1 H 6.88 0.02 1 1070 . 107 TYR HD2 H 6.88 0.02 1 1071 . 107 TYR HE1 H 6.72 0.02 1 1072 . 107 TYR HE2 H 6.72 0.02 1 1073 . 108 TYR N N 120.1 0.2 1 1074 . 108 TYR H H 7.76 0.02 1 1075 . 108 TYR CA C 58.3 0.2 1 1076 . 108 TYR HA H 4.40 0.02 1 1077 . 108 TYR CB C 38.6 0.2 1 1078 . 108 TYR HB2 H 3.01 0.02 2 1079 . 108 TYR HB3 H 2.92 0.02 2 1080 . 108 TYR HD1 H 7.08 0.02 1 1081 . 108 TYR HD2 H 7.08 0.02 1 1082 . 108 TYR HE1 H 6.83 0.02 1 1083 . 108 TYR HE2 H 6.83 0.02 1 1084 . 109 GLN N N 121.6 0.2 1 1085 . 109 GLN H H 8.01 0.02 1 1086 . 109 GLN CA C 55.7 0.2 1 1087 . 109 GLN HA H 4.21 0.02 1 1088 . 109 GLN CB C 29.1 0.2 1 1089 . 109 GLN HB2 H 1.93 0.02 2 1090 . 109 GLN HB3 H 2.04 0.02 2 1091 . 109 GLN CG C 33.9 0.2 1 1092 . 109 GLN HG2 H 2.27 0.02 1 1093 . 109 GLN HG3 H 2.27 0.02 1 1094 . 109 GLN NE2 N 112.4 0.2 1 1095 . 109 GLN HE21 H 7.46 0.02 2 1096 . 109 GLN HE22 H 6.82 0.02 2 1097 . 110 ARG N N 122.4 0.2 1 1098 . 110 ARG H H 8.15 0.02 1 1099 . 110 ARG CA C 56.5 0.2 1 1100 . 110 ARG HA H 4.26 0.02 1 1101 . 110 ARG CB C 30.7 0.2 1 1102 . 110 ARG HB2 H 1.76 0.02 2 1103 . 110 ARG HB3 H 1.85 0.02 2 1104 . 110 ARG CG C 27.0 0.2 1 1105 . 110 ARG HG2 H 1.64 0.02 2 1106 . 110 ARG HG3 H 1.62 0.02 2 1107 . 110 ARG CD C 43.4 0.2 1 1108 . 110 ARG HD2 H 3.15 0.02 1 1109 . 110 ARG HD3 H 3.15 0.02 1 1110 . 110 ARG NE N 84.6 0.2 1 1111 . 110 ARG HE H 7.16 0.02 1 1112 . 111 GLY N N 110.5 0.2 1 1113 . 111 GLY H H 8.42 0.02 1 1114 . 111 GLY CA C 45.3 0.2 1 1115 . 111 GLY HA2 H 3.96 0.02 1 1116 . 111 GLY HA3 H 3.96 0.02 1 1117 . 112 SER N N 121.1 0.2 1 1118 . 112 SER H H 7.88 0.02 1 1119 . 112 SER CA C 59.9 0.2 1 1120 . 112 SER HA H 4.26 0.02 1 1121 . 112 SER CB C 64.9 0.2 1 1122 . 112 SER HB2 H 3.82 0.02 1 1123 . 112 SER HB3 H 3.82 0.02 1 stop_ save_