data_17780 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Human prion protein with E219K protective polymorphism ; _BMRB_accession_number 17780 _BMRB_flat_file_name bmr17780.str _Entry_type original _Submission_date 2011-07-14 _Accession_date 2011-07-14 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Biljan Ivana . . 2 Ilc Gregor . . 3 Giancin Gabriele . . 4 Zhukov Igor . . 5 Plavec Janez . . 6 Legname Guiseppe . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 809 "13C chemical shifts" 461 "15N chemical shifts" 148 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2012-08-20 update BMRB 'update entry citation' 2012-06-25 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Structural basis for the protective effect of the human prion protein carrying the dominant-negative E219K polymorphism.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 22676969 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Biljan Ivana . . 2 Giachin Gabriele . . 3 Ilc Gregor . . 4 Zhukov Igor . . 5 Plavec Janez . . 6 Legname Giuseppe . . stop_ _Journal_abbreviation 'Biochem. J.' _Journal_name_full 'The Biochemical journal' _Journal_volume 446 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 243 _Page_last 251 _Year 2012 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Human prion protein with E219K protective polymorphism' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Human prion protein with E219K protective polymorphism' $Hpp_E219K stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_Hpp_E219K _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Hpp_E219K _Molecular_mass 16169.169 _Mol_thiol_state 'all disulfide bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 142 _Mol_residue_sequence ; GQGGGTHSQWNKPSKPKTNM KHMAGAAAAGAVVGGLGGYM LGSAMSRPIIHFGSDYEDRY YRENMHRYPNQVYYRPMDEY SNQNNFVHDCVNITIKQHTV TTTTKGENFTETDVKMMERV VEQMCITQYKRESQAYYQRG SS ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 90 GLY 2 91 GLN 3 92 GLY 4 93 GLY 5 94 GLY 6 95 THR 7 96 HIS 8 97 SER 9 98 GLN 10 99 TRP 11 100 ASN 12 101 LYS 13 102 PRO 14 103 SER 15 104 LYS 16 105 PRO 17 106 LYS 18 107 THR 19 108 ASN 20 109 MET 21 110 LYS 22 111 HIS 23 112 MET 24 113 ALA 25 114 GLY 26 115 ALA 27 116 ALA 28 117 ALA 29 118 ALA 30 119 GLY 31 120 ALA 32 121 VAL 33 122 VAL 34 123 GLY 35 124 GLY 36 125 LEU 37 126 GLY 38 127 GLY 39 128 TYR 40 129 MET 41 130 LEU 42 131 GLY 43 132 SER 44 133 ALA 45 134 MET 46 135 SER 47 136 ARG 48 137 PRO 49 138 ILE 50 139 ILE 51 140 HIS 52 141 PHE 53 142 GLY 54 143 SER 55 144 ASP 56 145 TYR 57 146 GLU 58 147 ASP 59 148 ARG 60 149 TYR 61 150 TYR 62 151 ARG 63 152 GLU 64 153 ASN 65 154 MET 66 155 HIS 67 156 ARG 68 157 TYR 69 158 PRO 70 159 ASN 71 160 GLN 72 161 VAL 73 162 TYR 74 163 TYR 75 164 ARG 76 165 PRO 77 166 MET 78 167 ASP 79 168 GLU 80 169 TYR 81 170 SER 82 171 ASN 83 172 GLN 84 173 ASN 85 174 ASN 86 175 PHE 87 176 VAL 88 177 HIS 89 178 ASP 90 179 CYS 91 180 VAL 92 181 ASN 93 182 ILE 94 183 THR 95 184 ILE 96 185 LYS 97 186 GLN 98 187 HIS 99 188 THR 100 189 VAL 101 190 THR 102 191 THR 103 192 THR 104 193 THR 105 194 LYS 106 195 GLY 107 196 GLU 108 197 ASN 109 198 PHE 110 199 THR 111 200 GLU 112 201 THR 113 202 ASP 114 203 VAL 115 204 LYS 116 205 MET 117 206 MET 118 207 GLU 119 208 ARG 120 209 VAL 121 210 VAL 122 211 GLU 123 212 GLN 124 213 MET 125 214 CYS 126 215 ILE 127 216 THR 128 217 GLN 129 218 TYR 130 219 LYS 131 220 ARG 132 221 GLU 133 222 SER 134 223 GLN 135 224 ALA 136 225 TYR 137 226 TYR 138 227 GLN 139 228 ARG 140 229 GLY 141 230 SER 142 231 SER stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-08-12 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 100.00 146 97.89 100.00 8.64e-100 BMRB 16743 "HuPrP(90-231 M129 Q212P)" 100.00 148 98.59 99.30 5.59e-100 BMRB 16757 PrP^(91-231) 100.00 145 97.18 100.00 2.81e-99 BMRB 17714 HuPrP 100.00 147 98.59 100.00 5.75e-101 BMRB 17756 hPrP(121-230) 77.46 113 99.09 100.00 6.00e-75 BMRB 17757 hPrP(121-230) 77.46 113 97.27 98.18 3.78e-72 BMRB 18426 entity 100.00 142 99.30 100.00 2.64e-101 BMRB 18550 V210I 100.00 147 98.59 100.00 5.75e-101 BMRB 19268 MAJOR_PRION_PROTEIN 100.00 146 98.59 100.00 1.24e-100 BMRB 4379 "human prion protein" 78.87 112 98.21 100.00 2.93e-76 BMRB 4402 "human prion protein" 99.30 210 99.29 100.00 2.67e-99 BMRB 4434 "human prion protein" 99.30 143 99.29 100.00 1.21e-100 BMRB 4620 "prion protein" 78.87 112 97.32 100.00 7.48e-76 BMRB 4641 "PRION PROTEIN" 100.00 146 98.59 100.00 1.26e-100 BMRB 4736 "human prion protein" 78.87 112 97.32 100.00 1.24e-75 PDB 1E1G "Human Prion Protein Variant M166v" 72.54 104 98.06 100.00 2.54e-69 PDB 1E1J "Human Prion Protein Variant M166v" 72.54 104 98.06 100.00 2.54e-69 PDB 1E1P "Human Prion Protein Variant S170n" 72.54 104 98.06 100.00 2.65e-69 PDB 1E1S "Human Prion Protein Variant S170n" 72.54 104 98.06 100.00 2.65e-69 PDB 1E1U "Human Prion Protein Variant R220k" 72.54 104 98.06 100.00 1.70e-69 PDB 1E1W "Human Prion Protein Variant R220k" 72.54 104 98.06 100.00 1.70e-69 PDB 1FKC "Human Prion Protein (Mutant E200k) Fragment 90-231" 100.00 142 98.59 100.00 1.02e-100 PDB 1FO7 "Human Prion Protein Mutant E200k Fragment 90-231" 100.00 142 98.59 100.00 1.02e-100 PDB 1HJM "Human Prion Protein At Ph 7.0" 72.54 104 99.03 100.00 5.96e-70 PDB 1HJN "Human Prion Protein At Ph 7.0" 72.54 104 99.03 100.00 5.96e-70 PDB 1I4M "Crystal Structure Of The Human Prion Protein Reveals A Mechanism For Oligomerization" 76.06 108 99.07 100.00 9.85e-74 PDB 1QLX "Human Prion Protein" 99.30 210 99.29 100.00 2.67e-99 PDB 1QLZ "Human Prion Protein" 99.30 210 99.29 100.00 2.67e-99 PDB 1QM0 "Human Prion Protein Fragment 90-230" 99.30 143 99.29 100.00 1.21e-100 PDB 1QM1 "Human Prion Protein Fragment 90-230" 99.30 143 99.29 100.00 1.21e-100 PDB 1QM2 "Human Prion Protein Fragment 121-230" 78.87 112 98.21 100.00 2.93e-76 PDB 1QM3 "Human Prion Protein Fragment 121-230" 78.87 112 98.21 100.00 2.93e-76 PDB 2K1D "Nmr Studies Of A Pathogenic Mutant (d178n) Of The Human Prion Protein" 100.00 146 97.89 100.00 8.64e-100 PDB 2KUN "Three Dimensional Structure Of Huprp(90-231 M129 Q212p)" 100.00 148 98.59 99.30 5.59e-100 PDB 2LEJ "Human Prion Protein Mutant Huprp(90-231, M129, V210i)" 100.00 147 98.59 100.00 5.75e-101 PDB 2LFT "Human Prion Protein With E219k Protective Polymorphism" 100.00 142 100.00 100.00 5.65e-102 PDB 2LSB "Solution-State Nmr Structure Of The Human Prion Protein" 100.00 142 99.30 100.00 2.64e-101 PDB 2LV1 "Solution-state Nmr Structure Of Prion Protein Mutant V210i At Neutral Ph" 100.00 147 98.59 100.00 5.75e-101 PDB 2M8T "Solution Nmr Structure Of The V209m Variant Of The Human Prion Protein (residues 90-231)" 100.00 146 98.59 100.00 1.24e-100 PDB 2W9E "Structure Of Icsm 18 (Anti-Prp Therapeutic Antibody) Fab Fragment Complexed With Human Prp Fragment 119-231" 79.58 113 99.12 100.00 1.52e-77 PDB 3HAF "Human Prion Protein Variant V129 Domain Swapped Dimer" 100.00 142 98.59 100.00 1.21e-100 PDB 3HAK "Human Prion Protein Variant V129" 72.54 103 98.06 100.00 2.28e-69 PDB 3HEQ "Human Prion Protein Variant D178n With M129" 100.00 142 98.59 100.00 1.55e-100 PDB 3HER "Human Prion Protein Variant F198s With V129" 100.00 142 97.89 99.30 1.85e-99 PDB 3HES "Human Prion Protein Variant F198s With M129" 100.00 142 98.59 99.30 4.67e-100 PDB 3HJ5 "Human Prion Protein Variant V129 Domain Swapped Dimer" 100.00 142 98.59 100.00 1.21e-100 PDB 3HJX "Human Prion Protein Variant D178n With V129" 74.65 106 97.17 100.00 1.13e-70 PDB 4DGI "Structure Of Pom1 Fab Fragment Complexed With Human Prpc Fragment 120- 230" 78.17 111 99.10 100.00 6.36e-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 99.30 100.00 1.07e-99 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 99.30 100.00 2.64e-101 DBJ BAA00011 "prion protein [Homo sapiens]" 100.00 245 98.59 99.30 9.45e-97 DBJ BAF62360 "prion protein, transcript variant 2 [Pan troglodytes verus]" 100.00 253 97.89 100.00 5.21e-98 DBJ BAG32276 "prion [Homo sapiens]" 100.00 253 99.30 100.00 3.53e-99 DBJ BAG32277 "prion [Homo sapiens]" 100.00 253 98.59 100.00 1.70e-98 DBJ BAG32278 "alternatively spliced variant form of prion [Homo sapiens]" 90.14 230 100.00 100.00 2.30e-89 EMBL CAA58442 "prion protein [Homo sapiens]" 100.00 245 99.30 100.00 2.86e-99 EMBL CAG46836 "PRNP [Homo sapiens]" 100.00 253 97.89 99.30 4.17e-96 EMBL CAG46869 "PRNP [Homo sapiens]" 100.00 253 98.59 100.00 1.70e-98 GB AAA19664 "prion protein [Homo sapiens]" 100.00 245 98.59 99.30 9.45e-97 GB AAA60182 "prion protein [Homo sapiens]" 100.00 253 99.30 100.00 3.53e-99 GB AAA68632 "major prion protein precursor [Pan troglodytes]" 100.00 253 97.89 100.00 5.21e-98 GB AAA68633 "major prion protein precursor [Gorilla gorilla]" 100.00 253 98.59 100.00 8.00e-99 GB AAB59442 "prion protein, partial [Homo sapiens]" 100.00 224 99.30 100.00 1.89e-99 REF NP_000302 "major prion protein preproprotein [Homo sapiens]" 100.00 253 99.30 100.00 3.53e-99 REF NP_001009093 "major prion protein preproprotein [Pan troglodytes]" 100.00 253 97.89 100.00 5.21e-98 REF NP_001073590 "major prion protein preproprotein [Homo sapiens]" 100.00 253 99.30 100.00 3.53e-99 REF NP_001073591 "major prion protein preproprotein [Homo sapiens]" 100.00 253 99.30 100.00 3.53e-99 REF NP_001073592 "major prion protein preproprotein [Homo sapiens]" 100.00 253 99.30 100.00 3.53e-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 99.30 100.00 3.53e-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 98.59 100.00 1.20e-98 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 97.89 100.00 5.21e-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 97.89 100.00 5.21e-98 SP P61768 "RecName: Full=Major prion protein; Short=PrP; AltName: Full=PrP27-30; AltName: Full=PrP33-35C; AltName: CD_antigen=CD230; Flags" 100.00 253 97.89 100.00 5.21e-98 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $Hpp_E219K 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 $Hpp_E219K 'recombinant technology' . Escherichia coli . pProExHTa 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 $Hpp_E219K 1.5 mM '[U-100% 13C; U-100% 15N]' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' 'buffer sodium acetate-d3' 20 mM 'natural abundance' NaCl 0.1 M 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Hpp_E219K 1.5 mM '[U-100% 13C; U-100% 15N]' D2O 100 % 'natural abundance' 'buffer sodium acetate-d3' 20 mM 'natural abundance' NaCl 0.1 M 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version . loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_YASARA _Saveframe_category software _Name YASARA _Version . loop_ _Vendor _Address _Electronic_address (YASARA) . . stop_ loop_ _Task refinement stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model 'Uniform NMR System' _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_HNCO_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_2 save_ save_3D_1H-13C_NOESY_aliphatic_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_2 save_ save_3D_1H-13C_NOESY_aromatic_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _Sample_label $sample_2 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.1 . M pH 5.5 . pH pressure 1 . atm temperature 298 . K stop_ save_ save_sample_conditions_2 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.1 . M pD 5.9 . pH temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D 1H-13C NOESY aliphatic' '3D 1H-13C NOESY aromatic' stop_ loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'Human prion protein with E219K protective polymorphism' _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 91 2 GLN H H 8.267 0.02 1 2 91 2 GLN HA H 4.407 0.02 1 3 91 2 GLN HB2 H 2.125 0.02 2 4 91 2 GLN HB3 H 1.994 0.02 2 5 91 2 GLN HG2 H 2.419 0.02 1 6 91 2 GLN HG3 H 2.419 0.02 1 7 91 2 GLN CA C 55.969 0.2 1 8 91 2 GLN CB C 29.576 0.2 1 9 91 2 GLN CG C 33.803 0.2 1 10 91 2 GLN N N 119.729 0.2 1 11 92 3 GLY H H 8.515 0.02 1 12 92 3 GLY HA2 H 4.000 0.02 1 13 92 3 GLY HA3 H 4.000 0.02 1 14 92 3 GLY CA C 45.115 0.2 1 15 92 3 GLY N N 110.081 0.2 1 16 93 4 GLY H H 8.331 0.02 1 17 93 4 GLY HA2 H 3.997 0.02 1 18 93 4 GLY HA3 H 3.997 0.02 1 19 93 4 GLY CA C 45.228 0.2 1 20 93 4 GLY N N 108.748 0.2 1 21 94 5 GLY H H 8.362 0.02 1 22 94 5 GLY HA2 H 3.998 0.02 1 23 94 5 GLY HA3 H 3.998 0.02 1 24 94 5 GLY CA C 45.172 0.2 1 25 94 5 GLY N N 108.857 0.2 1 26 95 6 THR H H 8.129 0.02 1 27 95 6 THR HA H 4.282 0.02 1 28 95 6 THR HB H 4.164 0.02 1 29 95 6 THR HG2 H 1.148 0.02 1 30 95 6 THR CA C 61.906 0.2 1 31 95 6 THR CB C 69.711 0.2 1 32 95 6 THR CG2 C 21.429 0.2 1 33 95 6 THR N N 113.538 0.2 1 34 96 7 HIS H H 8.497 0.02 1 35 96 7 HIS HA H 4.713 0.02 1 36 96 7 HIS HB2 H 3.196 0.02 2 37 96 7 HIS HB3 H 3.096 0.02 2 38 96 7 HIS HD2 H 7.117 0.02 1 39 96 7 HIS CA C 55.169 0.2 1 40 96 7 HIS CB C 29.575 0.2 1 41 96 7 HIS CD2 C 119.641 0.2 1 42 96 7 HIS N N 121.027 0.2 1 43 97 8 SER H H 8.275 0.02 1 44 97 8 SER HA H 4.405 0.02 1 45 97 8 SER HB2 H 3.796 0.02 2 46 97 8 SER HB3 H 3.754 0.02 2 47 97 8 SER CA C 58.379 0.2 1 48 97 8 SER CB C 63.535 0.2 1 49 97 8 SER N N 117.031 0.2 1 50 98 9 GLN H H 8.462 0.02 1 51 98 9 GLN HA H 4.279 0.02 1 52 98 9 GLN HB2 H 1.954 0.02 2 53 98 9 GLN HB3 H 1.863 0.02 2 54 98 9 GLN HG2 H 2.157 0.02 1 55 98 9 GLN HG3 H 2.157 0.02 1 56 98 9 GLN HE21 H 7.329 0.02 1 57 98 9 GLN HE22 H 7.215 0.02 1 58 98 9 GLN CA C 55.970 0.2 1 59 98 9 GLN CB C 29.157 0.2 1 60 98 9 GLN CG C 33.452 0.2 1 61 98 9 GLN N N 122.084 0.2 1 62 98 9 GLN NE2 N 110.597 0.2 1 63 99 10 TRP H H 8.086 0.02 1 64 99 10 TRP HA H 4.676 0.02 1 65 99 10 TRP HB2 H 3.294 0.02 2 66 99 10 TRP HB3 H 3.198 0.02 2 67 99 10 TRP HD1 H 7.240 0.02 1 68 99 10 TRP HE1 H 10.110 0.02 1 69 99 10 TRP HE3 H 7.606 0.02 1 70 99 10 TRP HZ2 H 7.463 0.02 1 71 99 10 TRP HZ3 H 7.130 0.02 1 72 99 10 TRP HH2 H 7.217 0.02 1 73 99 10 TRP CA C 57.046 0.2 1 74 99 10 TRP CB C 29.440 0.2 1 75 99 10 TRP CD1 C 126.839 0.2 1 76 99 10 TRP CE3 C 120.902 0.2 1 77 99 10 TRP CZ2 C 114.586 0.2 1 78 99 10 TRP CZ3 C 122.069 0.2 1 79 99 10 TRP CH2 C 124.689 0.2 1 80 99 10 TRP N N 121.630 0.2 1 81 99 10 TRP NE1 N 129.298 0.2 1 82 100 11 ASN H H 8.095 0.02 1 83 100 11 ASN HA H 4.602 0.02 1 84 100 11 ASN HB2 H 2.558 0.02 2 85 100 11 ASN HB3 H 2.534 0.02 2 86 100 11 ASN HD21 H 7.451 0.02 1 87 100 11 ASN HD22 H 6.819 0.02 1 88 100 11 ASN CA C 52.675 0.2 1 89 100 11 ASN CB C 38.781 0.2 1 90 100 11 ASN N N 120.591 0.2 1 91 100 11 ASN ND2 N 112.478 0.2 1 92 101 12 LYS H H 7.985 0.02 1 93 101 12 LYS HA H 4.435 0.02 1 94 101 12 LYS HB2 H 1.759 0.02 2 95 101 12 LYS HB3 H 1.631 0.02 2 96 101 12 LYS HG2 H 1.366 0.02 1 97 101 12 LYS HG3 H 1.366 0.02 1 98 101 12 LYS HD2 H 1.695 0.02 2 99 101 12 LYS HD3 H 1.661 0.02 2 100 101 12 LYS HE2 H 3.004 0.02 1 101 101 12 LYS HE3 H 3.004 0.02 1 102 101 12 LYS CA C 54.139 0.2 1 103 101 12 LYS CB C 32.474 0.2 1 104 101 12 LYS CG C 24.461 0.2 1 105 101 12 LYS CD C 28.997 0.2 1 106 101 12 LYS CE C 41.904 0.2 1 107 101 12 LYS N N 122.656 0.2 1 108 102 13 PRO HA H 4.425 0.02 1 109 102 13 PRO HB2 H 1.896 0.02 2 110 102 13 PRO HB3 H 2.293 0.02 2 111 102 13 PRO HG2 H 2.015 0.02 1 112 102 13 PRO HG3 H 2.015 0.02 1 113 102 13 PRO HD2 H 3.776 0.02 2 114 102 13 PRO HD3 H 3.625 0.02 2 115 102 13 PRO CA C 63.065 0.2 1 116 102 13 PRO CB C 32.056 0.2 1 117 102 13 PRO CG C 27.356 0.2 1 118 102 13 PRO CD C 50.669 0.2 1 119 103 14 SER H H 8.420 0.02 1 120 103 14 SER HA H 4.430 0.02 1 121 103 14 SER HB2 H 3.858 0.02 1 122 103 14 SER HB3 H 3.858 0.02 1 123 103 14 SER CA C 57.973 0.2 1 124 103 14 SER CB C 63.669 0.2 1 125 103 14 SER N N 116.881 0.2 1 126 104 15 LYS H H 8.321 0.02 1 127 104 15 LYS HA H 4.620 0.02 1 128 104 15 LYS HB2 H 1.759 0.02 2 129 104 15 LYS HB3 H 1.717 0.02 2 130 104 15 LYS HG2 H 1.454 0.02 1 131 104 15 LYS HG3 H 1.454 0.02 1 132 104 15 LYS HD2 H 1.693 0.02 1 133 104 15 LYS HD3 H 1.693 0.02 1 134 104 15 LYS HE2 H 3.006 0.02 1 135 104 15 LYS HE3 H 3.006 0.02 1 136 104 15 LYS CA C 54.160 0.2 1 137 104 15 LYS CB C 32.606 0.2 1 138 104 15 LYS CG C 24.844 0.2 1 139 104 15 LYS CD C 29.083 0.2 1 140 104 15 LYS CE C 41.879 0.2 1 141 104 15 LYS N N 124.163 0.2 1 142 105 16 PRO HA H 4.412 0.02 1 143 105 16 PRO HB2 H 2.294 0.02 2 144 105 16 PRO HB3 H 1.894 0.02 2 145 105 16 PRO HG2 H 2.015 0.02 1 146 105 16 PRO HG3 H 2.015 0.02 1 147 105 16 PRO HD2 H 3.625 0.02 2 148 105 16 PRO HD3 H 3.822 0.02 2 149 105 16 PRO CA C 63.012 0.2 1 150 105 16 PRO CB C 32.152 0.2 1 151 105 16 PRO CG C 27.345 0.2 1 152 105 16 PRO CD C 50.685 0.2 1 153 106 17 LYS H H 8.516 0.02 1 154 106 17 LYS HA H 4.338 0.02 1 155 106 17 LYS HB2 H 1.858 0.02 2 156 106 17 LYS HB3 H 1.764 0.02 2 157 106 17 LYS HG2 H 1.505 0.02 2 158 106 17 LYS HG3 H 1.455 0.02 2 159 106 17 LYS HD2 H 1.695 0.02 2 160 106 17 LYS HD3 H 1.661 0.02 2 161 106 17 LYS HE2 H 3.004 0.02 2 162 106 17 LYS HE3 H 2.955 0.02 2 163 106 17 LYS CA C 56.299 0.2 1 164 106 17 LYS CB C 32.928 0.2 1 165 106 17 LYS CG C 24.882 0.2 1 166 106 17 LYS CD C 28.997 0.2 1 167 106 17 LYS CE C 41.932 0.2 1 168 106 17 LYS N N 122.072 0.2 1 169 107 18 THR H H 8.133 0.02 1 170 107 18 THR HA H 4.323 0.02 1 171 107 18 THR HB H 4.165 0.02 1 172 107 18 THR HG2 H 1.180 0.02 1 173 107 18 THR CA C 61.523 0.2 1 174 107 18 THR CB C 69.778 0.2 1 175 107 18 THR CG2 C 21.474 0.2 1 176 107 18 THR N N 115.252 0.2 1 177 108 19 ASN H H 8.537 0.02 1 178 108 19 ASN HA H 4.712 0.02 1 179 108 19 ASN HB2 H 2.830 0.02 2 180 108 19 ASN HB3 H 2.762 0.02 2 181 108 19 ASN HD21 H 7.585 0.02 1 182 108 19 ASN HD22 H 6.885 0.02 1 183 108 19 ASN CA C 53.019 0.2 1 184 108 19 ASN CB C 38.728 0.2 1 185 108 19 ASN N N 121.344 0.2 1 186 108 19 ASN ND2 N 112.598 0.2 1 187 109 20 MET H H 8.346 0.02 1 188 109 20 MET HA H 4.437 0.02 1 189 109 20 MET HB2 H 2.059 0.02 2 190 109 20 MET HB3 H 1.959 0.02 2 191 109 20 MET HG2 H 2.563 0.02 2 192 109 20 MET HG3 H 2.494 0.02 2 193 109 20 MET HE H 2.083 0.02 1 194 109 20 MET CA C 55.446 0.2 1 195 109 20 MET CB C 32.809 0.2 1 196 109 20 MET CG C 31.949 0.2 1 197 109 20 MET CE C 16.913 0.2 1 198 109 20 MET N N 121.309 0.2 1 199 110 21 LYS H H 8.300 0.02 1 200 110 21 LYS HA H 4.237 0.02 1 201 110 21 LYS HB2 H 1.764 0.02 2 202 110 21 LYS HB3 H 1.730 0.02 2 203 110 21 LYS HG2 H 1.410 0.02 2 204 110 21 LYS HG3 H 1.351 0.02 2 205 110 21 LYS HD2 H 1.695 0.02 2 206 110 21 LYS HD3 H 1.659 0.02 2 207 110 21 LYS HE2 H 2.982 0.02 2 208 110 21 LYS HE3 H 2.955 0.02 2 209 110 21 LYS CA C 56.394 0.2 1 210 110 21 LYS CB C 32.923 0.2 1 211 110 21 LYS CG C 24.761 0.2 1 212 110 21 LYS CD C 28.946 0.2 1 213 110 21 LYS CE C 41.970 0.2 1 214 110 21 LYS N N 122.292 0.2 1 215 111 22 HIS H H 8.406 0.02 1 216 111 22 HIS HA H 4.642 0.02 1 217 111 22 HIS HB2 H 3.167 0.02 2 218 111 22 HIS HB3 H 3.157 0.02 2 219 111 22 HIS HD2 H 7.146 0.02 1 220 111 22 HIS CA C 55.391 0.2 1 221 111 22 HIS CB C 29.501 0.2 1 222 111 22 HIS CD2 C 119.902 0.2 1 223 111 22 HIS N N 120.193 0.2 1 224 112 23 MET H H 8.326 0.02 1 225 112 23 MET HA H 4.464 0.02 1 226 112 23 MET HB2 H 2.066 0.02 2 227 112 23 MET HB3 H 1.962 0.02 2 228 112 23 MET HG2 H 2.563 0.02 2 229 112 23 MET HG3 H 2.494 0.02 2 230 112 23 MET HE H 2.083 0.02 1 231 112 23 MET CA C 55.125 0.2 1 232 112 23 MET CB C 32.930 0.2 1 233 112 23 MET CG C 31.966 0.2 1 234 112 23 MET CE C 16.951 0.2 1 235 112 23 MET N N 122.529 0.2 1 236 113 24 ALA H H 8.370 0.02 1 237 113 24 ALA HA H 4.315 0.02 1 238 113 24 ALA HB H 1.395 0.02 1 239 113 24 ALA CA C 52.521 0.2 1 240 113 24 ALA CB C 19.181 0.2 1 241 113 24 ALA N N 125.642 0.2 1 242 114 25 GLY H H 8.373 0.02 1 243 114 25 GLY HA2 H 3.960 0.02 2 244 114 25 GLY HA3 H 3.931 0.02 2 245 114 25 GLY CA C 45.175 0.2 1 246 114 25 GLY N N 108.473 0.2 1 247 115 26 ALA H H 8.134 0.02 1 248 115 26 ALA HA H 4.316 0.02 1 249 115 26 ALA HB H 1.396 0.02 1 250 115 26 ALA CA C 52.496 0.2 1 251 115 26 ALA CB C 19.181 0.2 1 252 115 26 ALA N N 123.872 0.2 1 253 116 27 ALA H H 8.268 0.02 1 254 116 27 ALA HA H 4.287 0.02 1 255 116 27 ALA HB H 1.390 0.02 1 256 116 27 ALA CA C 52.464 0.2 1 257 116 27 ALA CB C 19.180 0.2 1 258 116 27 ALA N N 123.172 0.2 1 259 117 28 ALA H H 8.169 0.02 1 260 117 28 ALA HA H 4.277 0.02 1 261 117 28 ALA HB H 1.373 0.02 1 262 117 28 ALA CA C 52.383 0.2 1 263 117 28 ALA CB C 19.156 0.2 1 264 117 28 ALA N N 123.253 0.2 1 265 118 29 ALA H H 8.204 0.02 1 266 118 29 ALA HA H 4.282 0.02 1 267 118 29 ALA HB H 1.390 0.02 1 268 118 29 ALA CA C 52.469 0.2 1 269 118 29 ALA CB C 19.129 0.2 1 270 118 29 ALA N N 123.225 0.2 1 271 119 30 GLY H H 8.271 0.02 1 272 119 30 GLY HA2 H 3.931 0.02 1 273 119 30 GLY HA3 H 3.931 0.02 1 274 119 30 GLY CA C 45.089 0.2 1 275 119 30 GLY N N 107.906 0.2 1 276 120 31 ALA H H 8.039 0.02 1 277 120 31 ALA HA H 4.339 0.02 1 278 120 31 ALA HB H 1.348 0.02 1 279 120 31 ALA CA C 52.282 0.2 1 280 120 31 ALA CB C 19.432 0.2 1 281 120 31 ALA N N 123.540 0.2 1 282 121 32 VAL H H 8.109 0.02 1 283 121 32 VAL HA H 4.117 0.02 1 284 121 32 VAL HB H 2.016 0.02 1 285 121 32 VAL HG1 H 0.902 0.02 2 286 121 32 VAL HG2 H 0.858 0.02 2 287 121 32 VAL CA C 62.142 0.2 1 288 121 32 VAL CB C 32.673 0.2 1 289 121 32 VAL CG1 C 20.652 0.2 2 290 121 32 VAL CG2 C 21.183 0.2 2 291 121 32 VAL N N 119.579 0.2 1 292 122 33 VAL H H 8.262 0.02 1 293 122 33 VAL HA H 4.081 0.02 1 294 122 33 VAL HB H 2.019 0.02 1 295 122 33 VAL HG1 H 0.902 0.02 2 296 122 33 VAL HG2 H 0.858 0.02 2 297 122 33 VAL CA C 62.430 0.2 1 298 122 33 VAL CB C 32.675 0.2 1 299 122 33 VAL CG1 C 20.633 0.2 2 300 122 33 VAL CG2 C 21.167 0.2 2 301 122 33 VAL N N 124.655 0.2 1 302 123 34 GLY H H 8.528 0.02 1 303 123 34 GLY HA2 H 3.996 0.02 1 304 123 34 GLY HA3 H 3.996 0.02 1 305 123 34 GLY CA C 45.264 0.2 1 306 123 34 GLY N N 113.165 0.2 1 307 124 35 GLY H H 8.245 0.02 1 308 124 35 GLY HA2 H 3.988 0.02 1 309 124 35 GLY HA3 H 3.988 0.02 1 310 124 35 GLY CA C 45.264 0.2 1 311 124 35 GLY N N 108.440 0.2 1 312 125 36 LEU H H 8.233 0.02 1 313 125 36 LEU HA H 4.340 0.02 1 314 125 36 LEU HB2 H 1.594 0.02 2 315 125 36 LEU HB3 H 1.513 0.02 2 316 125 36 LEU HG H 1.454 0.02 1 317 125 36 LEU HD1 H 0.615 0.02 2 318 125 36 LEU HD2 H 0.492 0.02 2 319 125 36 LEU CA C 54.808 0.2 1 320 125 36 LEU CB C 42.417 0.2 1 321 125 36 LEU CG C 26.847 0.2 1 322 125 36 LEU CD1 C 24.605 0.2 2 323 125 36 LEU CD2 C 23.411 0.2 2 324 125 36 LEU N N 121.679 0.2 1 325 126 37 GLY H H 8.511 0.02 1 326 126 37 GLY HA2 H 3.917 0.02 2 327 126 37 GLY HA3 H 3.833 0.02 2 328 126 37 GLY CA C 46.266 0.2 1 329 126 37 GLY N N 109.818 0.2 1 330 127 38 GLY H H 8.374 0.02 1 331 127 38 GLY HA2 H 3.886 0.02 2 332 127 38 GLY HA3 H 3.746 0.02 2 333 127 38 GLY CA C 45.029 0.2 1 334 127 38 GLY N N 109.485 0.2 1 335 128 39 TYR H H 7.746 0.02 1 336 128 39 TYR HA H 4.501 0.02 1 337 128 39 TYR HB2 H 2.874 0.02 1 338 128 39 TYR HB3 H 2.874 0.02 1 339 128 39 TYR HD1 H 6.788 0.02 3 340 128 39 TYR HD2 H 6.788 0.02 3 341 128 39 TYR HE1 H 6.674 0.02 3 342 128 39 TYR HE2 H 6.674 0.02 3 343 128 39 TYR CA C 58.050 0.2 1 344 128 39 TYR CB C 40.362 0.2 1 345 128 39 TYR CD1 C 132.733 0.2 3 346 128 39 TYR CD2 C 132.733 0.2 3 347 128 39 TYR CE1 C 118.307 0.2 3 348 128 39 TYR CE2 C 118.307 0.2 3 349 128 39 TYR N N 117.683 0.2 1 350 129 40 MET H H 9.005 0.02 1 351 129 40 MET HA H 4.534 0.02 1 352 129 40 MET HB2 H 1.588 0.02 2 353 129 40 MET HB3 H 0.971 0.02 2 354 129 40 MET HG2 H 2.224 0.02 2 355 129 40 MET HG3 H 2.293 0.02 2 356 129 40 MET HE H 2.023 0.02 1 357 129 40 MET CA C 53.516 0.2 1 358 129 40 MET CB C 34.851 0.2 1 359 129 40 MET CG C 32.199 0.2 1 360 129 40 MET CE C 17.124 0.2 1 361 129 40 MET N N 120.902 0.2 1 362 130 41 LEU H H 8.034 0.02 1 363 130 41 LEU HA H 4.464 0.02 1 364 130 41 LEU HB2 H 0.980 0.02 2 365 130 41 LEU HB3 H 1.599 0.02 2 366 130 41 LEU HG H 1.376 0.02 1 367 130 41 LEU HD1 H -0.01 0.02 2 368 130 41 LEU HD2 H 0.600 0.02 2 369 130 41 LEU CA C 53.359 0.2 1 370 130 41 LEU CB C 43.482 0.2 1 371 130 41 LEU CG C 25.981 0.2 1 372 130 41 LEU CD1 C 21.687 0.2 2 373 130 41 LEU CD2 C 25.671 0.2 2 374 130 41 LEU N N 121.514 0.2 1 375 131 42 GLY H H 9.375 0.02 1 376 131 42 GLY HA2 H 4.003 0.02 2 377 131 42 GLY HA3 H 4.414 0.02 2 378 131 42 GLY CA C 44.698 0.2 1 379 131 42 GLY N N 114.895 0.2 1 380 132 43 SER H H 8.345 0.02 1 381 132 43 SER HA H 4.429 0.02 1 382 132 43 SER HB2 H 3.965 0.02 2 383 132 43 SER HB3 H 3.893 0.02 2 384 132 43 SER CA C 58.191 0.2 1 385 132 43 SER CB C 63.938 0.2 1 386 132 43 SER N N 113.692 0.2 1 387 133 44 ALA H H 8.735 0.02 1 388 133 44 ALA HA H 4.437 0.02 1 389 133 44 ALA HB H 1.277 0.02 1 390 133 44 ALA CA C 52.936 0.2 1 391 133 44 ALA CB C 18.412 0.2 1 392 133 44 ALA N N 125.505 0.2 1 393 134 45 MET H H 8.686 0.02 1 394 134 45 MET HA H 4.756 0.02 1 395 134 45 MET HB2 H 2.038 0.02 2 396 134 45 MET HB3 H 1.977 0.02 2 397 134 45 MET HG2 H 2.488 0.02 2 398 134 45 MET HG3 H 2.429 0.02 2 399 134 45 MET HE H 2.160 0.02 1 400 134 45 MET CA C 54.242 0.2 1 401 134 45 MET CB C 36.727 0.2 1 402 134 45 MET CG C 31.173 0.2 1 403 134 45 MET CE C 17.669 0.2 1 404 134 45 MET N N 120.707 0.2 1 405 135 46 SER H H 8.397 0.02 1 406 135 46 SER HA H 4.375 0.02 1 407 135 46 SER HB2 H 3.819 0.02 2 408 135 46 SER HB3 H 3.739 0.02 2 409 135 46 SER CA C 58.410 0.2 1 410 135 46 SER CB C 63.016 0.2 1 411 135 46 SER N N 116.235 0.2 1 412 136 47 ARG H H 8.668 0.02 1 413 136 47 ARG HA H 4.406 0.02 1 414 136 47 ARG HB2 H 1.695 0.02 2 415 136 47 ARG HB3 H 1.661 0.02 2 416 136 47 ARG HG2 H 1.864 0.02 1 417 136 47 ARG HG3 H 1.864 0.02 1 418 136 47 ARG HD2 H 3.194 0.02 2 419 136 47 ARG HD3 H 3.117 0.02 2 420 136 47 ARG CA C 54.783 0.2 1 421 136 47 ARG CB C 29.040 0.2 1 422 136 47 ARG CG C 28.577 0.2 1 423 136 47 ARG CD C 43.508 0.2 1 424 136 47 ARG N N 126.632 0.2 1 425 137 48 PRO HA H 4.422 0.02 1 426 137 48 PRO HB2 H 2.293 0.02 2 427 137 48 PRO HB3 H 1.758 0.02 2 428 137 48 PRO HG2 H 2.005 0.02 1 429 137 48 PRO HG3 H 2.005 0.02 1 430 137 48 PRO HD2 H 3.936 0.02 1 431 137 48 PRO HD3 H 3.936 0.02 1 432 137 48 PRO CA C 62.327 0.2 1 433 137 48 PRO CB C 32.269 0.2 1 434 137 48 PRO CG C 27.287 0.2 1 435 137 48 PRO CD C 50.644 0.2 1 436 138 49 ILE H H 8.603 0.02 1 437 138 49 ILE HA H 4.148 0.02 1 438 138 49 ILE HB H 1.905 0.02 1 439 138 49 ILE HG12 H 1.385 0.02 2 440 138 49 ILE HG13 H 1.593 0.02 2 441 138 49 ILE HG2 H 0.734 0.02 1 442 138 49 ILE HD1 H 0.897 0.02 1 443 138 49 ILE CA C 60.916 0.2 1 444 138 49 ILE CB C 36.234 0.2 1 445 138 49 ILE CG1 C 27.255 0.2 1 446 138 49 ILE CG2 C 17.394 0.2 1 447 138 49 ILE CD1 C 11.302 0.2 1 448 138 49 ILE N N 122.521 0.2 1 449 139 50 ILE H H 6.514 0.02 1 450 139 50 ILE HA H 3.927 0.02 1 451 139 50 ILE HB H 0.885 0.02 1 452 139 50 ILE HG12 H 0.895 0.02 2 453 139 50 ILE HG13 H 0.771 0.02 2 454 139 50 ILE HG2 H -0.02 0.02 1 455 139 50 ILE HD1 H 0.466 0.02 1 456 139 50 ILE CA C 58.700 0.2 1 457 139 50 ILE CB C 39.345 0.2 1 458 139 50 ILE CG1 C 26.577 0.2 1 459 139 50 ILE CG2 C 17.195 0.2 1 460 139 50 ILE CD1 C 12.541 0.2 1 461 139 50 ILE N N 126.683 0.2 1 462 140 51 HIS H H 8.203 0.02 1 463 140 51 HIS HA H 4.918 0.02 1 464 140 51 HIS HB2 H 3.294 0.02 2 465 140 51 HIS HB3 H 2.942 0.02 2 466 140 51 HIS HD2 H 7.187 0.02 1 467 140 51 HIS HE1 H 8.471 0.02 1 468 140 51 HIS CA C 54.065 0.2 1 469 140 51 HIS CB C 29.466 0.2 1 470 140 51 HIS CD2 C 120.14 0.2 1 471 140 51 HIS CE1 C 136.57 0.2 1 472 140 51 HIS N N 121.997 0.2 1 473 141 52 PHE H H 10.16 0.02 1 474 141 52 PHE HA H 4.348 0.02 1 475 141 52 PHE HB2 H 3.332 0.02 2 476 141 52 PHE HB3 H 2.858 0.02 2 477 141 52 PHE HD1 H 7.339 0.02 3 478 141 52 PHE HD2 H 7.339 0.02 3 479 141 52 PHE HE1 H 6.902 0.02 3 480 141 52 PHE HE2 H 6.902 0.02 3 481 141 52 PHE HZ H 6.712 0.02 1 482 141 52 PHE CA C 59.251 0.2 1 483 141 52 PHE CB C 41.448 0.2 1 484 141 52 PHE CD1 C 131.505 0.2 3 485 141 52 PHE CD2 C 131.505 0.2 3 486 141 52 PHE CE1 C 131.304 0.2 3 487 141 52 PHE CE2 C 131.304 0.2 3 488 141 52 PHE CZ C 129.312 0.2 1 489 141 52 PHE N N 124.334 0.2 1 490 142 53 GLY H H 8.984 0.02 1 491 142 53 GLY HA2 H 4.146 0.02 2 492 142 53 GLY HA3 H 3.846 0.02 2 493 142 53 GLY CA C 45.516 0.2 1 494 142 53 GLY N N 108.368 0.2 1 495 143 54 SER H H 7.334 0.02 1 496 143 54 SER HA H 4.810 0.02 1 497 143 54 SER HB2 H 4.122 0.02 2 498 143 54 SER HB3 H 3.926 0.02 2 499 143 54 SER CA C 56.498 0.2 1 500 143 54 SER CB C 65.964 0.2 1 501 143 54 SER N N 111.819 0.2 1 502 144 55 ASP H H 9.014 0.02 1 503 144 55 ASP HA H 4.500 0.02 1 504 144 55 ASP HB2 H 2.748 0.02 1 505 144 55 ASP HB3 H 2.748 0.02 1 506 144 55 ASP CA C 57.493 0.2 1 507 144 55 ASP CB C 40.664 0.2 1 508 144 55 ASP N N 124.249 0.2 1 509 145 56 TYR H H 8.551 0.02 1 510 145 56 TYR HA H 4.196 0.02 1 511 145 56 TYR HB2 H 2.848 0.02 2 512 145 56 TYR HB3 H 3.252 0.02 2 513 145 56 TYR HD1 H 7.057 0.02 3 514 145 56 TYR HD2 H 7.057 0.02 3 515 145 56 TYR HE1 H 6.764 0.02 3 516 145 56 TYR HE2 H 6.764 0.02 3 517 145 56 TYR CA C 61.351 0.2 1 518 145 56 TYR CB C 38.075 0.2 1 519 145 56 TYR CD1 C 133.352 0.2 3 520 145 56 TYR CD2 C 133.352 0.2 3 521 145 56 TYR CE1 C 117.914 0.2 3 522 145 56 TYR CE2 C 117.914 0.2 3 523 145 56 TYR N N 118.991 0.2 1 524 146 57 GLU H H 7.741 0.02 1 525 146 57 GLU HA H 3.563 0.02 1 526 146 57 GLU HB2 H 1.546 0.02 2 527 146 57 GLU HB3 H 1.820 0.02 2 528 146 57 GLU HG2 H 2.245 0.02 2 529 146 57 GLU HG3 H 1.893 0.02 2 530 146 57 GLU CA C 59.921 0.2 1 531 146 57 GLU CB C 30.297 0.2 1 532 146 57 GLU CG C 38.053 0.2 1 533 146 57 GLU N N 119.217 0.2 1 534 147 58 ASP H H 8.139 0.02 1 535 147 58 ASP HA H 4.498 0.02 1 536 147 58 ASP HB2 H 3.014 0.02 2 537 147 58 ASP HB3 H 2.869 0.02 2 538 147 58 ASP CA C 58.185 0.2 1 539 147 58 ASP CB C 40.598 0.2 1 540 147 58 ASP N N 119.565 0.2 1 541 148 59 ARG H H 8.181 0.02 1 542 148 59 ARG HA H 4.004 0.02 1 543 148 59 ARG HB2 H 1.889 0.02 1 544 148 59 ARG HB3 H 1.889 0.02 1 545 148 59 ARG HG2 H 1.528 0.02 2 546 148 59 ARG HG3 H 1.735 0.02 2 547 148 59 ARG HD2 H 3.282 0.02 2 548 148 59 ARG HD3 H 3.188 0.02 2 549 148 59 ARG CA C 59.393 0.2 1 550 148 59 ARG CB C 29.910 0.2 1 551 148 59 ARG CG C 27.743 0.2 1 552 148 59 ARG CD C 43.337 0.2 1 553 148 59 ARG N N 120.296 0.2 1 554 149 60 TYR H H 8.333 0.02 1 555 149 60 TYR HA H 3.819 0.02 1 556 149 60 TYR HB2 H 2.850 0.02 2 557 149 60 TYR HB3 H 2.678 0.02 2 558 149 60 TYR HD1 H 6.900 0.02 3 559 149 60 TYR HD2 H 6.900 0.02 3 560 149 60 TYR HE1 H 6.765 0.02 3 561 149 60 TYR HE2 H 6.765 0.02 3 562 149 60 TYR CA C 62.195 0.2 1 563 149 60 TYR CB C 37.808 0.2 1 564 149 60 TYR CD1 C 133.002 0.2 3 565 149 60 TYR CD2 C 133.002 0.2 3 566 149 60 TYR CE1 C 118.178 0.2 3 567 149 60 TYR CE2 C 118.178 0.2 3 568 149 60 TYR N N 121.152 0.2 1 569 150 61 TYR H H 8.942 0.02 1 570 150 61 TYR HA H 4.122 0.02 1 571 150 61 TYR HB2 H 3.547 0.02 2 572 150 61 TYR HB3 H 3.251 0.02 2 573 150 61 TYR HD1 H 7.551 0.02 3 574 150 61 TYR HD2 H 7.551 0.02 3 575 150 61 TYR HE1 H 7.015 0.02 3 576 150 61 TYR HE2 H 7.015 0.02 3 577 150 61 TYR CA C 62.969 0.2 1 578 150 61 TYR CB C 38.207 0.2 1 579 150 61 TYR CD1 C 133.598 0.2 3 580 150 61 TYR CD2 C 133.598 0.2 3 581 150 61 TYR CE1 C 118.444 0.2 3 582 150 61 TYR CE2 C 118.444 0.2 3 583 150 61 TYR N N 120.365 0.2 1 584 151 62 ARG H H 7.938 0.02 1 585 151 62 ARG HA H 3.938 0.02 1 586 151 62 ARG HB2 H 2.125 0.02 2 587 151 62 ARG HB3 H 1.994 0.02 2 588 151 62 ARG HG2 H 1.741 0.02 2 589 151 62 ARG HG3 H 2.031 0.02 2 590 151 62 ARG HD2 H 3.281 0.02 2 591 151 62 ARG HD3 H 3.221 0.02 2 592 151 62 ARG CA C 59.940 0.2 1 593 151 62 ARG CB C 29.731 0.2 1 594 151 62 ARG CG C 28.236 0.2 1 595 151 62 ARG CD C 43.275 0.2 1 596 151 62 ARG N N 117.982 0.2 1 597 152 63 GLU H H 8.068 0.02 1 598 152 63 GLU HA H 4.059 0.02 1 599 152 63 GLU HB2 H 1.896 0.02 1 600 152 63 GLU HB3 H 1.896 0.02 1 601 152 63 GLU HG2 H 2.206 0.02 2 602 152 63 GLU HG3 H 2.417 0.02 2 603 152 63 GLU CA C 57.990 0.2 1 604 152 63 GLU CB C 29.915 0.2 1 605 152 63 GLU CG C 36.459 0.2 1 606 152 63 GLU N N 116.389 0.2 1 607 153 64 ASN H H 7.525 0.02 1 608 153 64 ASN HA H 4.406 0.02 1 609 153 64 ASN HB2 H 2.156 0.02 1 610 153 64 ASN HB3 H 2.156 0.02 1 611 153 64 ASN HD21 H 6.824 0.02 1 612 153 64 ASN HD22 H 6.542 0.02 1 613 153 64 ASN CA C 54.814 0.2 1 614 153 64 ASN CB C 41.178 0.2 1 615 153 64 ASN N N 114.690 0.2 1 616 153 64 ASN ND2 N 117.171 0.2 1 617 154 65 MET H H 7.993 0.02 1 618 154 65 MET HA H 3.417 0.02 1 619 154 65 MET HB2 H 1.627 0.02 2 620 154 65 MET HB3 H 1.328 0.02 2 621 154 65 MET HG2 H 2.552 0.02 2 622 154 65 MET HG3 H 2.160 0.02 2 623 154 65 MET HE H 2.030 0.02 1 624 154 65 MET CA C 59.193 0.2 1 625 154 65 MET CB C 30.258 0.2 1 626 154 65 MET CG C 30.556 0.2 1 627 154 65 MET CE C 17.631 0.2 1 628 154 65 MET N N 119.058 0.2 1 629 155 66 HIS H H 7.988 0.02 1 630 155 66 HIS HA H 4.208 0.02 1 631 155 66 HIS HB2 H 3.247 0.02 2 632 155 66 HIS HB3 H 3.015 0.02 2 633 155 66 HIS CA C 57.382 0.2 1 634 155 66 HIS CB C 28.955 0.2 1 635 155 66 HIS N N 116.083 0.2 1 636 156 67 ARG H H 7.488 0.02 1 637 156 67 ARG HA H 4.133 0.02 1 638 156 67 ARG HB2 H 1.382 0.02 2 639 156 67 ARG HB3 H 2.159 0.02 2 640 156 67 ARG HG2 H 0.252 0.02 2 641 156 67 ARG HG3 H 1.326 0.02 2 642 156 67 ARG HD2 H 3.248 0.02 2 643 156 67 ARG HD3 H 3.087 0.02 2 644 156 67 ARG CA C 56.135 0.2 1 645 156 67 ARG CB C 30.521 0.2 1 646 156 67 ARG CG C 27.178 0.2 1 647 156 67 ARG CD C 44.025 0.2 1 648 156 67 ARG N N 118.993 0.2 1 649 157 68 TYR H H 7.433 0.02 1 650 157 68 TYR HA H 4.991 0.02 1 651 157 68 TYR HB2 H 3.099 0.02 1 652 157 68 TYR HB3 H 3.099 0.02 1 653 157 68 TYR HD1 H 6.875 0.02 3 654 157 68 TYR HD2 H 6.875 0.02 3 655 157 68 TYR HE1 H 6.567 0.02 3 656 157 68 TYR HE2 H 6.567 0.02 3 657 157 68 TYR CA C 52.644 0.2 1 658 157 68 TYR CB C 34.873 0.2 1 659 157 68 TYR CD1 C 131.259 0.2 3 660 157 68 TYR CD2 C 131.259 0.2 3 661 157 68 TYR CE1 C 117.076 0.2 3 662 157 68 TYR CE2 C 117.076 0.2 3 663 157 68 TYR N N 121.321 0.2 1 664 158 69 PRO HA H 4.338 0.02 1 665 158 69 PRO HB2 H 2.425 0.02 2 666 158 69 PRO HB3 H 1.629 0.02 2 667 158 69 PRO HG2 H 1.200 0.02 2 668 158 69 PRO HG3 H 1.120 0.02 2 669 158 69 PRO HD2 H 3.028 0.02 2 670 158 69 PRO HD3 H 3.141 0.02 2 671 158 69 PRO CA C 63.651 0.2 1 672 158 69 PRO CB C 32.005 0.2 1 673 158 69 PRO CG C 27.239 0.2 1 674 158 69 PRO CD C 49.852 0.2 1 675 159 70 ASN H H 8.673 0.02 1 676 159 70 ASN HA H 4.690 0.02 1 677 159 70 ASN HB2 H 2.459 0.02 1 678 159 70 ASN HB3 H 2.459 0.02 1 679 159 70 ASN HD21 H 7.461 0.02 1 680 159 70 ASN HD22 H 6.773 0.02 1 681 159 70 ASN CA C 51.997 0.2 1 682 159 70 ASN CB C 38.375 0.2 1 683 159 70 ASN N N 116.696 0.2 1 684 159 70 ASN ND2 N 109.330 0.2 1 685 160 71 GLN H H 7.319 0.02 1 686 160 71 GLN HA H 4.523 0.02 1 687 160 71 GLN HB2 H 1.959 0.02 2 688 160 71 GLN HB3 H 1.732 0.02 2 689 160 71 GLN HG2 H 2.176 0.02 2 690 160 71 GLN HG3 H 2.027 0.02 2 691 160 71 GLN HE21 H 7.874 0.02 1 692 160 71 GLN HE22 H 6.952 0.02 1 693 160 71 GLN CA C 54.286 0.2 1 694 160 71 GLN CB C 32.975 0.2 1 695 160 71 GLN CG C 34.034 0.2 1 696 160 71 GLN N N 114.313 0.2 1 697 160 71 GLN NE2 N 112.411 0.2 1 698 161 72 VAL H H 8.477 0.02 1 699 161 72 VAL HA H 4.927 0.02 1 700 161 72 VAL HB H 2.625 0.02 1 701 161 72 VAL HG1 H 0.943 0.02 2 702 161 72 VAL HG2 H 0.762 0.02 2 703 161 72 VAL CA C 58.651 0.2 1 704 161 72 VAL CB C 33.812 0.2 1 705 161 72 VAL CG1 C 23.611 0.2 2 706 161 72 VAL CG2 C 18.461 0.2 2 707 161 72 VAL N N 112.569 0.2 1 708 162 73 TYR H H 8.490 0.02 1 709 162 73 TYR HA H 5.507 0.02 1 710 162 73 TYR HB2 H 2.567 0.02 1 711 162 73 TYR HB3 H 2.567 0.02 1 712 162 73 TYR HD1 H 6.946 0.02 3 713 162 73 TYR HD2 H 6.946 0.02 3 714 162 73 TYR HE1 H 6.768 0.02 3 715 162 73 TYR HE2 H 6.768 0.02 3 716 162 73 TYR CA C 57.133 0.2 1 717 162 73 TYR CB C 41.970 0.2 1 718 162 73 TYR CD1 C 133.415 0.2 3 719 162 73 TYR CD2 C 133.415 0.2 3 720 162 73 TYR CE1 C 118.351 0.2 3 721 162 73 TYR CE2 C 118.351 0.2 3 722 162 73 TYR N N 121.525 0.2 1 723 163 74 TYR H H 8.593 0.02 1 724 163 74 TYR HA H 4.758 0.02 1 725 163 74 TYR HB2 H 2.875 0.02 1 726 163 74 TYR HB3 H 2.875 0.02 1 727 163 74 TYR HD1 H 6.946 0.02 3 728 163 74 TYR HD2 H 6.946 0.02 3 729 163 74 TYR HE1 H 6.464 0.02 3 730 163 74 TYR HE2 H 6.464 0.02 3 731 163 74 TYR CA C 55.367 0.2 1 732 163 74 TYR CB C 40.401 0.2 1 733 163 74 TYR CD1 C 133.479 0.2 3 734 163 74 TYR CD2 C 133.479 0.2 3 735 163 74 TYR CE1 C 117.712 0.2 3 736 163 74 TYR CE2 C 117.712 0.2 3 737 163 74 TYR N N 111.081 0.2 1 738 165 76 PRO HA H 4.490 0.02 1 739 165 76 PRO HB2 H 1.889 0.02 2 740 165 76 PRO HB3 H 2.457 0.02 2 741 165 76 PRO HG2 H 1.901 0.02 2 742 165 76 PRO HG3 H 2.031 0.02 2 743 165 76 PRO HD2 H 3.590 0.02 2 744 165 76 PRO HD3 H 3.487 0.02 2 745 165 76 PRO CA C 62.967 0.2 1 746 165 76 PRO CB C 32.372 0.2 1 747 165 76 PRO CG C 28.096 0.2 1 748 165 76 PRO CD C 50.139 0.2 1 749 166 77 MET H H 9.013 0.02 1 750 166 77 MET HA H 4.438 0.02 1 751 166 77 MET HB2 H 2.294 0.02 2 752 166 77 MET HB3 H 2.225 0.02 2 753 166 77 MET HG2 H 1.718 0.02 2 754 166 77 MET HG3 H 1.816 0.02 2 755 166 77 MET HE H 1.586 0.02 1 756 166 77 MET CA C 57.081 0.2 1 757 166 77 MET CB C 32.165 0.2 1 758 166 77 MET CG C 32.679 0.2 1 759 166 77 MET CE C 17.057 0.2 1 760 166 77 MET N N 121.408 0.2 1 761 167 78 ASP H H 8.176 0.02 1 762 167 78 ASP HA H 4.754 0.02 1 763 167 78 ASP HB2 H 2.830 0.02 1 764 167 78 ASP HB3 H 2.830 0.02 1 765 167 78 ASP CA C 52.485 0.2 1 766 167 78 ASP CB C 38.802 0.2 1 767 167 78 ASP N N 119.933 0.2 1 768 168 79 GLU H H 8.332 0.02 1 769 168 79 GLU HA H 4.308 0.02 1 770 168 79 GLU HB2 H 2.250 0.02 2 771 168 79 GLU HB3 H 2.231 0.02 2 772 168 79 GLU HG2 H 2.563 0.02 1 773 168 79 GLU HG3 H 2.563 0.02 1 774 168 79 GLU CA C 58.638 0.2 1 775 168 79 GLU CB C 29.185 0.2 1 776 168 79 GLU CG C 32.002 0.2 1 777 168 79 GLU N N 116.934 0.2 1 778 170 81 SER H H 8.560 0.02 1 779 170 81 SER HA H 4.374 0.02 1 780 170 81 SER HB2 H 4.801 0.02 2 781 170 81 SER HB3 H 4.746 0.02 2 782 170 81 SER CA C 58.475 0.2 1 783 170 81 SER CB C 63.677 0.2 1 784 170 81 SER N N 116.603 0.2 1 785 172 83 GLN H H 8.635 0.02 1 786 172 83 GLN HA H 4.750 0.02 1 787 172 83 GLN HB2 H 1.612 0.02 1 788 172 83 GLN HB3 H 1.612 0.02 1 789 172 83 GLN HG2 H 1.893 0.02 2 790 172 83 GLN HG3 H 1.758 0.02 2 791 172 83 GLN HE21 H 7.453 0.02 1 792 172 83 GLN HE22 H 6.826 0.02 1 793 172 83 GLN CA C 59.899 0.2 1 794 172 83 GLN CB C 29.023 0.2 1 795 172 83 GLN CG C 32.195 0.2 1 796 172 83 GLN N N 120.404 0.2 1 797 172 83 GLN NE2 N 111.638 0.2 1 798 173 84 ASN H H 8.352 0.02 1 799 173 84 ASN HA H 4.237 0.02 1 800 173 84 ASN HB2 H 2.678 0.02 2 801 173 84 ASN HB3 H 2.734 0.02 2 802 173 84 ASN HD21 H 7.575 0.02 1 803 173 84 ASN HD22 H 6.938 0.02 1 804 173 84 ASN CA C 56.470 0.2 1 805 173 84 ASN CB C 37.812 0.2 1 806 173 84 ASN N N 116.470 0.2 1 807 173 84 ASN ND2 N 112.674 0.2 1 808 174 85 ASN H H 8.602 0.02 1 809 174 85 ASN HA H 4.534 0.02 1 810 174 85 ASN HB2 H 2.982 0.02 2 811 174 85 ASN HB3 H 2.899 0.02 2 812 174 85 ASN HD21 H 7.706 0.02 1 813 174 85 ASN HD22 H 7.080 0.02 1 814 174 85 ASN CA C 55.905 0.2 1 815 174 85 ASN CB C 37.760 0.2 1 816 174 85 ASN N N 118.500 0.2 1 817 174 85 ASN ND2 N 112.291 0.2 1 818 175 86 PHE HB2 H 3.057 0.02 1 819 175 86 PHE HB3 H 3.057 0.02 1 820 175 86 PHE HD1 H 7.652 0.02 3 821 175 86 PHE HD2 H 7.652 0.02 3 822 175 86 PHE HE1 H 6.750 0.02 3 823 175 86 PHE HE2 H 6.750 0.02 3 824 175 86 PHE HZ H 7.330 0.02 1 825 175 86 PHE CB C 39.641 0.2 1 826 175 86 PHE CD1 C 131.655 0.2 3 827 175 86 PHE CD2 C 131.655 0.2 3 828 175 86 PHE CE1 C 129.134 0.2 3 829 175 86 PHE CE2 C 129.134 0.2 3 830 175 86 PHE CZ C 133.175 0.2 1 831 176 87 VAL H H 9.002 0.02 1 832 176 87 VAL HA H 3.564 0.02 1 833 176 87 VAL HB H 2.224 0.02 1 834 176 87 VAL HG1 H 1.051 0.02 2 835 176 87 VAL HG2 H 1.086 0.02 2 836 176 87 VAL CA C 67.737 0.2 1 837 176 87 VAL CB C 31.951 0.2 1 838 176 87 VAL CG1 C 21.930 0.2 2 839 176 87 VAL CG2 C 24.922 0.2 2 840 176 87 VAL N N 120.134 0.2 1 841 177 88 HIS H H 8.330 0.02 1 842 177 88 HIS HA H 4.304 0.02 1 843 177 88 HIS HB2 H 3.331 0.02 2 844 177 88 HIS HB3 H 3.401 0.02 2 845 177 88 HIS HD2 H 7.343 0.02 1 846 177 88 HIS HE1 H 8.486 0.02 1 847 177 88 HIS CA C 59.781 0.2 1 848 177 88 HIS CB C 28.264 0.2 1 849 177 88 HIS CD2 C 120.177 0.2 1 850 177 88 HIS CE1 C 136.630 0.2 1 851 177 88 HIS N N 117.217 0.2 1 852 178 89 ASP H H 7.696 0.02 1 853 178 89 ASP HA H 4.500 0.02 1 854 178 89 ASP HB2 H 2.956 0.02 2 855 178 89 ASP HB3 H 2.908 0.02 2 856 178 89 ASP CA C 57.423 0.2 1 857 178 89 ASP CB C 41.792 0.2 1 858 178 89 ASP N N 118.497 0.2 1 859 179 90 CYS H H 8.037 0.02 1 860 179 90 CYS HA H 4.753 0.02 1 861 179 90 CYS HB2 H 3.383 0.02 2 862 179 90 CYS HB3 H 3.013 0.02 2 863 179 90 CYS CA C 58.466 0.2 1 864 179 90 CYS CB C 40.758 0.2 1 865 179 90 CYS N N 119.012 0.2 1 866 180 91 VAL H H 9.212 0.02 1 867 180 91 VAL HA H 3.667 0.02 1 868 180 91 VAL HB H 2.224 0.02 1 869 180 91 VAL HG1 H 0.887 0.02 2 870 180 91 VAL HG2 H 1.085 0.02 2 871 180 91 VAL CA C 66.293 0.2 1 872 180 91 VAL CB C 32.028 0.2 1 873 180 91 VAL CG1 C 21.156 0.2 2 874 180 91 VAL CG2 C 23.472 0.2 2 875 180 91 VAL N N 125.063 0.2 1 876 181 92 ASN H H 7.626 0.02 1 877 181 92 ASN HA H 4.311 0.02 1 878 181 92 ASN HB2 H 2.762 0.02 2 879 181 92 ASN HB3 H 2.830 0.02 2 880 181 92 ASN HD21 H 6.754 0.02 1 881 181 92 ASN HD22 H 7.623 0.02 1 882 181 92 ASN CA C 56.622 0.2 1 883 181 92 ASN CB C 38.749 0.2 1 884 181 92 ASN N N 116.153 0.2 1 885 181 92 ASN ND2 N 112.123 0.2 1 886 182 93 ILE H H 8.610 0.02 1 887 182 93 ILE HA H 3.787 0.02 1 888 182 93 ILE HB H 1.566 0.02 1 889 182 93 ILE HG12 H 0.834 0.02 2 890 182 93 ILE HG13 H 0.833 0.02 2 891 182 93 ILE HG2 H 0.285 0.02 1 892 182 93 ILE HD1 H 0.390 0.02 1 893 182 93 ILE CA C 62.078 0.2 1 894 182 93 ILE CB C 36.535 0.2 1 895 182 93 ILE CG1 C 27.577 0.2 1 896 182 93 ILE CG2 C 18.509 0.2 1 897 182 93 ILE CD1 C 11.336 0.2 1 898 182 93 ILE N N 118.637 0.2 1 899 183 94 THR H H 8.140 0.02 1 900 183 94 THR HA H 4.097 0.02 1 901 183 94 THR HB H 4.477 0.02 1 902 183 94 THR HG2 H 1.463 0.02 1 903 183 94 THR CA C 68.834 0.2 1 904 183 94 THR CB C 68.258 0.2 1 905 183 94 THR CG2 C 22.167 0.2 1 906 183 94 THR N N 118.229 0.2 1 907 184 95 ILE H H 8.450 0.02 1 908 184 95 ILE HA H 3.666 0.02 1 909 184 95 ILE HB H 2.051 0.02 1 910 184 95 ILE HG12 H 1.933 0.02 2 911 184 95 ILE HG13 H 1.479 0.02 2 912 184 95 ILE HG2 H 0.873 0.02 1 913 184 95 ILE HD1 H 0.772 0.02 1 914 184 95 ILE CA C 66.259 0.2 1 915 184 95 ILE CB C 36.824 0.2 1 916 184 95 ILE CG1 C 30.465 0.2 1 917 184 95 ILE CG2 C 16.683 0.2 1 918 184 95 ILE CD1 C 13.316 0.2 1 919 184 95 ILE N N 120.906 0.2 1 920 185 96 LYS H H 8.067 0.02 1 921 185 96 LYS HA H 4.067 0.02 1 922 185 96 LYS HB2 H 1.956 0.02 2 923 185 96 LYS HB3 H 1.895 0.02 2 924 185 96 LYS HG2 H 1.409 0.02 2 925 185 96 LYS HG3 H 1.354 0.02 2 926 185 96 LYS HD2 H 1.509 0.02 2 927 185 96 LYS HD3 H 1.595 0.02 2 928 185 96 LYS HE2 H 2.958 0.02 2 929 185 96 LYS HE3 H 2.909 0.02 2 930 185 96 LYS CA C 59.987 0.2 1 931 185 96 LYS CB C 32.119 0.2 1 932 185 96 LYS CG C 24.693 0.2 1 933 185 96 LYS CD C 29.018 0.2 1 934 185 96 LYS CE C 41.867 0.2 1 935 185 96 LYS N N 123.208 0.2 1 936 186 97 GLN H H 8.493 0.02 1 937 186 97 GLN HA H 4.059 0.02 1 938 186 97 GLN HB2 H 1.901 0.02 1 939 186 97 GLN HB3 H 1.901 0.02 1 940 186 97 GLN HG2 H 1.506 0.02 2 941 186 97 GLN HG3 H 2.062 0.02 2 942 186 97 GLN HE21 H 6.856 0.02 1 943 186 97 GLN HE22 H 6.675 0.02 1 944 186 97 GLN CA C 58.010 0.2 1 945 186 97 GLN CB C 27.982 0.2 1 946 186 97 GLN CG C 32.917 0.2 1 947 186 97 GLN N N 116.879 0.2 1 948 186 97 GLN NE2 N 109.846 0.2 1 949 187 98 HIS H H 8.435 0.02 1 950 187 98 HIS HA H 4.579 0.02 1 951 187 98 HIS HB2 H 3.362 0.02 2 952 187 98 HIS HB3 H 3.154 0.02 2 953 187 98 HIS HD2 H 7.343 0.02 1 954 187 98 HIS CA C 59.465 0.2 1 955 187 98 HIS CB C 31.628 0.2 1 956 187 98 HIS CD2 C 120.483 0.2 1 957 187 98 HIS N N 119.676 0.2 1 958 188 99 THR H H 8.440 0.02 1 959 188 99 THR HA H 4.090 0.02 1 960 188 99 THR HB H 4.456 0.02 1 961 188 99 THR HG2 H 1.285 0.02 1 962 188 99 THR CA C 66.210 0.2 1 963 188 99 THR CB C 68.800 0.2 1 964 188 99 THR CG2 C 20.836 0.2 1 965 188 99 THR N N 114.500 0.2 1 966 189 100 VAL H H 8.057 0.02 1 967 189 100 VAL HA H 3.838 0.02 1 968 189 100 VAL HB H 2.223 0.02 1 969 189 100 VAL HG1 H 1.052 0.02 2 970 189 100 VAL HG2 H 0.958 0.02 2 971 189 100 VAL CA C 65.832 0.2 1 972 189 100 VAL CB C 31.897 0.2 1 973 189 100 VAL CG1 C 21.992 0.2 2 974 189 100 VAL CG2 C 21.019 0.2 2 975 189 100 VAL N N 122.934 0.2 1 976 190 101 THR H H 8.131 0.02 1 977 190 101 THR HA H 4.140 0.02 1 978 190 101 THR HB H 4.309 0.02 1 979 190 101 THR HG2 H 1.292 0.02 1 980 190 101 THR CA C 64.907 0.2 1 981 190 101 THR CB C 69.041 0.2 1 982 190 101 THR CG2 C 21.660 0.2 1 983 190 101 THR N N 115.101 0.2 1 984 191 102 THR H H 8.011 0.02 1 985 191 102 THR HA H 4.092 0.02 1 986 191 102 THR HB H 4.264 0.02 1 987 191 102 THR HG2 H 0.933 0.02 1 988 191 102 THR CA C 64.801 0.2 1 989 191 102 THR CB C 69.145 0.2 1 990 191 102 THR CG2 C 21.292 0.2 1 991 191 102 THR N N 114.546 0.2 1 992 192 103 THR H H 8.224 0.02 1 993 192 103 THR HA H 4.373 0.02 1 994 192 103 THR HB H 4.354 0.02 1 995 192 103 THR HG2 H 1.320 0.02 1 996 192 103 THR CA C 64.935 0.2 1 997 192 103 THR CB C 69.043 0.2 1 998 192 103 THR CG2 C 21.466 0.2 1 999 192 103 THR N N 117.876 0.2 1 1000 193 104 THR H H 7.805 0.02 1 1001 193 104 THR HA H 4.204 0.02 1 1002 193 104 THR HB H 4.354 0.02 1 1003 193 104 THR CA C 64.311 0.2 1 1004 193 104 THR CB C 68.981 0.2 1 1005 193 104 THR N N 116.232 0.2 1 1006 194 105 LYS H H 7.504 0.02 1 1007 194 105 LYS HA H 4.384 0.02 1 1008 194 105 LYS HB2 H 1.816 0.02 2 1009 194 105 LYS HB3 H 2.016 0.02 2 1010 194 105 LYS HG2 H 1.502 0.02 2 1011 194 105 LYS HG3 H 1.454 0.02 2 1012 194 105 LYS HD2 H 1.598 0.02 1 1013 194 105 LYS HD3 H 1.598 0.02 1 1014 194 105 LYS HE2 H 2.956 0.02 2 1015 194 105 LYS HE3 H 2.909 0.02 2 1016 194 105 LYS CA C 56.220 0.2 1 1017 194 105 LYS CB C 32.527 0.2 1 1018 194 105 LYS CG C 24.791 0.2 1 1019 194 105 LYS CD C 28.984 0.2 1 1020 194 105 LYS CE C 41.746 0.2 1 1021 194 105 LYS N N 119.843 0.2 1 1022 195 106 GLY H H 7.924 0.02 1 1023 195 106 GLY HA2 H 4.138 0.02 2 1024 195 106 GLY HA3 H 3.812 0.02 2 1025 195 106 GLY CA C 45.431 0.2 1 1026 195 106 GLY N N 107.946 0.2 1 1027 196 107 GLU H H 7.465 0.02 1 1028 196 107 GLU HA H 4.255 0.02 1 1029 196 107 GLU HB2 H 1.578 0.02 2 1030 196 107 GLU HB3 H 1.573 0.02 2 1031 196 107 GLU HG2 H 2.071 0.02 2 1032 196 107 GLU HG3 H 1.926 0.02 2 1033 196 107 GLU CA C 55.597 0.2 1 1034 196 107 GLU CB C 31.073 0.2 1 1035 196 107 GLU CG C 35.876 0.2 1 1036 196 107 GLU N N 120.063 0.2 1 1037 197 108 ASN H H 8.458 0.02 1 1038 197 108 ASN HA H 4.657 0.02 1 1039 197 108 ASN HB2 H 2.642 0.02 2 1040 197 108 ASN HB3 H 2.592 0.02 2 1041 197 108 ASN HD21 H 7.532 0.02 1 1042 197 108 ASN HD22 H 6.783 0.02 1 1043 197 108 ASN CA C 52.673 0.2 1 1044 197 108 ASN CB C 40.827 0.2 1 1045 197 108 ASN N N 119.350 0.2 1 1046 197 108 ASN ND2 N 113.233 0.2 1 1047 198 109 PHE H H 8.709 0.02 1 1048 198 109 PHE HA H 5.317 0.02 1 1049 198 109 PHE HB2 H 2.928 0.02 2 1050 198 109 PHE HB3 H 3.150 0.02 2 1051 198 109 PHE HD1 H 7.329 0.02 3 1052 198 109 PHE HD2 H 7.329 0.02 3 1053 198 109 PHE HE1 H 7.463 0.02 3 1054 198 109 PHE HE2 H 7.463 0.02 3 1055 198 109 PHE HZ H 7.335 0.02 1 1056 198 109 PHE CA C 56.571 0.2 1 1057 198 109 PHE CB C 40.093 0.2 1 1058 198 109 PHE CD1 C 131.387 0.2 3 1059 198 109 PHE CD2 C 131.387 0.2 3 1060 198 109 PHE CE1 C 130.281 0.2 3 1061 198 109 PHE CE2 C 130.281 0.2 3 1062 198 109 PHE CZ C 132.049 0.2 1 1063 198 109 PHE N N 121.688 0.2 1 1064 199 110 THR H H 9.547 0.02 1 1065 199 110 THR HA H 4.624 0.02 1 1066 199 110 THR HB H 4.834 0.02 1 1067 199 110 THR HG2 H 1.427 0.02 1 1068 199 110 THR CA C 60.343 0.2 1 1069 199 110 THR CB C 72.033 0.2 1 1070 199 110 THR CG2 C 21.660 0.2 1 1071 199 110 THR N N 115.904 0.2 1 1072 200 111 GLU H H 9.132 0.02 1 1073 200 111 GLU HA H 4.067 0.02 1 1074 200 111 GLU HB2 H 2.127 0.02 2 1075 200 111 GLU HB3 H 2.063 0.02 2 1076 200 111 GLU HG2 H 2.330 0.02 2 1077 200 111 GLU HG3 H 2.403 0.02 2 1078 200 111 GLU CA C 60.027 0.2 1 1079 200 111 GLU CB C 28.976 0.2 1 1080 200 111 GLU CG C 36.141 0.2 1 1081 200 111 GLU N N 119.988 0.2 1 1082 201 112 THR H H 7.934 0.02 1 1083 201 112 THR HA H 3.796 0.02 1 1084 201 112 THR HB H 3.713 0.02 1 1085 201 112 THR HG2 H 0.706 0.02 1 1086 201 112 THR CA C 66.781 0.2 1 1087 201 112 THR CB C 68.581 0.2 1 1088 201 112 THR CG2 C 20.983 0.2 1 1089 201 112 THR N N 116.221 0.2 1 1090 202 113 ASP H H 7.503 0.02 1 1091 202 113 ASP HA H 4.598 0.02 1 1092 202 113 ASP HB2 H 3.410 0.02 2 1093 202 113 ASP HB3 H 2.678 0.02 2 1094 202 113 ASP CA C 57.984 0.2 1 1095 202 113 ASP CB C 41.756 0.2 1 1096 202 113 ASP N N 120.001 0.2 1 1097 203 114 VAL H H 8.209 0.02 1 1098 203 114 VAL HA H 3.279 0.02 1 1099 203 114 VAL HB H 2.097 0.02 1 1100 203 114 VAL HG1 H 0.953 0.02 2 1101 203 114 VAL HG2 H 0.966 0.02 2 1102 203 114 VAL CA C 67.817 0.2 1 1103 203 114 VAL CB C 31.528 0.2 1 1104 203 114 VAL CG1 C 21.100 0.2 2 1105 203 114 VAL CG2 C 22.695 0.2 2 1106 203 114 VAL N N 119.529 0.2 1 1107 204 115 LYS H H 7.714 0.02 1 1108 204 115 LYS HA H 4.082 0.02 1 1109 204 115 LYS HB2 H 1.973 0.02 2 1110 204 115 LYS HB3 H 1.899 0.02 2 1111 204 115 LYS HG2 H 1.457 0.02 2 1112 204 115 LYS HG3 H 1.503 0.02 2 1113 204 115 LYS HD2 H 1.692 0.02 2 1114 204 115 LYS HD3 H 1.660 0.02 2 1115 204 115 LYS HE2 H 2.953 0.02 2 1116 204 115 LYS HE3 H 2.906 0.02 2 1117 204 115 LYS CA C 59.268 0.2 1 1118 204 115 LYS CB C 31.979 0.2 1 1119 204 115 LYS CG C 24.952 0.2 1 1120 204 115 LYS CD C 28.911 0.2 1 1121 204 115 LYS CE C 41.748 0.2 1 1122 204 115 LYS N N 119.051 0.2 1 1123 205 116 MET H H 8.182 0.02 1 1124 205 116 MET HA H 4.167 0.02 1 1125 205 116 MET HB2 H 2.215 0.02 2 1126 205 116 MET HB3 H 1.956 0.02 2 1127 205 116 MET HG2 H 2.961 0.02 2 1128 205 116 MET HG3 H 2.374 0.02 2 1129 205 116 MET HE H 1.492 0.02 1 1130 205 116 MET CA C 59.984 0.2 1 1131 205 116 MET CB C 32.933 0.2 1 1132 205 116 MET CG C 34.171 0.2 1 1133 205 116 MET CE C 18.201 0.2 1 1134 205 116 MET N N 118.581 0.2 1 1135 206 117 MET H H 8.691 0.02 1 1136 206 117 MET HA H 3.561 0.02 1 1137 206 117 MET HB2 H 1.598 0.02 2 1138 206 117 MET HB3 H 2.331 0.02 2 1139 206 117 MET HG2 H 1.607 0.02 2 1140 206 117 MET HG3 H 1.957 0.02 2 1141 206 117 MET HE H 1.314 0.02 1 1142 206 117 MET CA C 59.967 0.2 1 1143 206 117 MET CB C 33.824 0.2 1 1144 206 117 MET CG C 32.865 0.2 1 1145 206 117 MET CE C 15.889 0.2 1 1146 206 117 MET N N 118.259 0.2 1 1147 207 118 GLU H H 8.544 0.02 1 1148 207 118 GLU HA H 3.658 0.02 1 1149 207 118 GLU HB2 H 2.243 0.02 2 1150 207 118 GLU HB3 H 1.953 0.02 2 1151 207 118 GLU HG2 H 2.122 0.02 2 1152 207 118 GLU HG3 H 2.530 0.02 2 1153 207 118 GLU CA C 60.702 0.2 1 1154 207 118 GLU CB C 29.000 0.2 1 1155 207 118 GLU CG C 36.079 0.2 1 1156 207 118 GLU N N 118.878 0.2 1 1157 208 119 ARG H H 7.289 0.02 1 1158 208 119 ARG HA H 4.228 0.02 1 1159 208 119 ARG HB2 H 2.102 0.02 2 1160 208 119 ARG HB3 H 1.949 0.02 2 1161 208 119 ARG HG2 H 1.767 0.02 2 1162 208 119 ARG HG3 H 1.857 0.02 2 1163 208 119 ARG HD2 H 3.160 0.02 2 1164 208 119 ARG HD3 H 3.241 0.02 2 1165 208 119 ARG CA C 58.554 0.2 1 1166 208 119 ARG CB C 30.136 0.2 1 1167 208 119 ARG CG C 26.864 0.2 1 1168 208 119 ARG CD C 42.576 0.2 1 1169 208 119 ARG N N 116.694 0.2 1 1170 209 120 VAL H H 8.279 0.02 1 1171 209 120 VAL HA H 3.837 0.02 1 1172 209 120 VAL HB H 1.892 0.02 1 1173 209 120 VAL HG1 H 1.317 0.02 2 1174 209 120 VAL HG2 H 0.933 0.02 2 1175 209 120 VAL CA C 65.766 0.2 1 1176 209 120 VAL CB C 32.213 0.2 1 1177 209 120 VAL CG1 C 24.009 0.2 2 1178 209 120 VAL CG2 C 21.269 0.2 2 1179 209 120 VAL N N 119.035 0.2 1 1180 210 121 VAL H H 9.183 0.02 1 1181 210 121 VAL HA H 3.597 0.02 1 1182 210 121 VAL HB H 2.279 0.02 1 1183 210 121 VAL HG1 H 1.230 0.02 2 1184 210 121 VAL HG2 H 0.864 0.02 2 1185 210 121 VAL CA C 66.639 0.2 1 1186 210 121 VAL CB C 31.097 0.2 1 1187 210 121 VAL CG1 C 24.824 0.2 2 1188 210 121 VAL CG2 C 23.367 0.2 2 1189 210 121 VAL N N 121.668 0.2 1 1190 211 122 GLU H H 8.041 0.02 1 1191 211 122 GLU HA H 3.603 0.02 1 1192 211 122 GLU HB2 H 2.251 0.02 2 1193 211 122 GLU HB3 H 2.219 0.02 2 1194 211 122 GLU HG2 H 2.127 0.02 2 1195 211 122 GLU HG3 H 2.071 0.02 2 1196 211 122 GLU CA C 61.132 0.2 1 1197 211 122 GLU CB C 29.153 0.2 1 1198 211 122 GLU CG C 36.086 0.2 1 1199 211 122 GLU N N 120.770 0.2 1 1200 212 123 GLN H H 7.096 0.02 1 1201 212 123 GLN HA H 3.662 0.02 1 1202 212 123 GLN HB2 H 2.240 0.02 2 1203 212 123 GLN HB3 H 2.137 0.02 2 1204 212 123 GLN HG2 H 2.467 0.02 2 1205 212 123 GLN HG3 H 2.509 0.02 2 1206 212 123 GLN HE21 H 7.691 0.02 1 1207 212 123 GLN HE22 H 6.864 0.02 1 1208 212 123 GLN CA C 58.509 0.2 1 1209 212 123 GLN CB C 27.824 0.2 1 1210 212 123 GLN CG C 33.862 0.2 1 1211 212 123 GLN N N 114.580 0.2 1 1212 212 123 GLN NE2 N 113.716 0.2 1 1213 213 124 MET H H 8.145 0.02 1 1214 213 124 MET HA H 4.167 0.02 1 1215 213 124 MET HB2 H 2.192 0.02 2 1216 213 124 MET HB3 H 2.146 0.02 2 1217 213 124 MET HG2 H 2.436 0.02 2 1218 213 124 MET HG3 H 2.812 0.02 2 1219 213 124 MET HE H 1.890 0.02 1 1220 213 124 MET CA C 59.928 0.2 1 1221 213 124 MET CB C 34.529 0.2 1 1222 213 124 MET CG C 32.317 0.2 1 1223 213 124 MET CE C 16.647 0.2 1 1224 213 124 MET N N 119.748 0.2 1 1225 214 125 CYS H H 9.275 0.02 1 1226 214 125 CYS HA H 4.427 0.02 1 1227 214 125 CYS HB2 H 2.905 0.02 2 1228 214 125 CYS HB3 H 3.538 0.02 2 1229 214 125 CYS CA C 59.838 0.2 1 1230 214 125 CYS CB C 41.798 0.2 1 1231 214 125 CYS N N 119.538 0.2 1 1232 215 126 ILE H H 8.434 0.02 1 1233 215 126 ILE HA H 3.579 0.02 1 1234 215 126 ILE HB H 2.017 0.02 1 1235 215 126 ILE HG12 H 1.108 0.02 1 1236 215 126 ILE HG13 H 1.108 0.02 1 1237 215 126 ILE HG2 H 0.923 0.02 1 1238 215 126 ILE HD1 H 0.855 0.02 1 1239 215 126 ILE CA C 66.649 0.2 1 1240 215 126 ILE CB C 38.152 0.2 1 1241 215 126 ILE CG1 C 30.268 0.2 1 1242 215 126 ILE CG2 C 17.300 0.2 1 1243 215 126 ILE CD1 C 14.007 0.2 1 1244 215 126 ILE N N 123.982 0.2 1 1245 216 127 THR H H 8.097 0.02 1 1246 216 127 THR HA H 3.835 0.02 1 1247 216 127 THR HB H 4.399 0.02 1 1248 216 127 THR HG2 H 1.217 0.02 1 1249 216 127 THR CA C 67.425 0.2 1 1250 216 127 THR CB C 68.035 0.2 1 1251 216 127 THR CG2 C 21.956 0.2 1 1252 216 127 THR N N 118.728 0.2 1 1253 217 128 GLN H H 8.637 0.02 1 1254 217 128 GLN HA H 3.662 0.02 1 1255 217 128 GLN HB2 H 2.238 0.02 2 1256 217 128 GLN HB3 H 2.116 0.02 2 1257 217 128 GLN HG2 H 1.717 0.02 2 1258 217 128 GLN HG3 H 1.631 0.02 2 1259 217 128 GLN HE21 H 7.266 0.02 1 1260 217 128 GLN HE22 H 6.830 0.02 1 1261 217 128 GLN CA C 58.462 0.2 1 1262 217 128 GLN CB C 28.075 0.2 1 1263 217 128 GLN CG C 32.529 0.2 1 1264 217 128 GLN N N 122.368 0.2 1 1265 217 128 GLN NE2 N 115.477 0.2 1 1266 218 129 TYR H H 8.705 0.02 1 1267 218 129 TYR HA H 2.929 0.02 1 1268 218 129 TYR HB2 H 3.058 0.02 2 1269 218 129 TYR HB3 H 2.787 0.02 2 1270 218 129 TYR HD1 H 6.192 0.02 3 1271 218 129 TYR HD2 H 6.192 0.02 3 1272 218 129 TYR HE1 H 6.551 0.02 3 1273 218 129 TYR HE2 H 6.551 0.02 3 1274 218 129 TYR CA C 61.904 0.2 1 1275 218 129 TYR CB C 37.075 0.2 1 1276 218 129 TYR CD1 C 132.491 0.2 3 1277 218 129 TYR CD2 C 132.491 0.2 3 1278 218 129 TYR CE1 C 117.871 0.2 3 1279 218 129 TYR CE2 C 117.871 0.2 3 1280 218 129 TYR N N 121.512 0.2 1 1281 219 130 LYS H H 8.232 0.02 1 1282 219 130 LYS HA H 3.667 0.02 1 1283 219 130 LYS HB2 H 1.982 0.02 2 1284 219 130 LYS HB3 H 1.902 0.02 2 1285 219 130 LYS HG2 H 1.502 0.02 2 1286 219 130 LYS HG3 H 1.455 0.02 2 1287 219 130 LYS HD2 H 1.659 0.02 2 1288 219 130 LYS HD3 H 1.692 0.02 2 1289 219 130 LYS HE2 H 3.004 0.02 2 1290 219 130 LYS HE3 H 2.956 0.02 2 1291 219 130 LYS CA C 60.001 0.2 1 1292 219 130 LYS CB C 31.732 0.2 1 1293 219 130 LYS CG C 24.861 0.2 1 1294 219 130 LYS CD C 28.893 0.2 1 1295 219 130 LYS CE C 41.832 0.2 1 1296 219 130 LYS N N 120.801 0.2 1 1297 220 131 ARG HA H 3.978 0.02 1 1298 220 131 ARG HB2 H 1.867 0.02 2 1299 220 131 ARG HB3 H 1.905 0.02 2 1300 220 131 ARG HG2 H 1.858 0.02 2 1301 220 131 ARG HG3 H 1.595 0.02 2 1302 220 131 ARG HD2 H 2.886 0.02 2 1303 220 131 ARG HD3 H 2.879 0.02 2 1304 220 131 ARG CA C 59.013 0.2 1 1305 220 131 ARG CB C 30.028 0.2 1 1306 220 131 ARG CG C 26.988 0.2 1 1307 220 131 ARG CD C 43.266 0.2 1 1308 221 132 GLU H H 8.521 0.02 1 1309 221 132 GLU HA H 4.035 0.02 1 1310 221 132 GLU HB2 H 1.953 0.02 2 1311 221 132 GLU HB3 H 2.240 0.02 2 1312 221 132 GLU HG2 H 2.328 0.02 1 1313 221 132 GLU HG3 H 2.328 0.02 1 1314 221 132 GLU CA C 58.006 0.2 1 1315 221 132 GLU CB C 29.270 0.2 1 1316 221 132 GLU CG C 33.485 0.2 1 1317 221 132 GLU N N 119.690 0.2 1 1318 222 133 SER H H 8.543 0.02 1 1319 222 133 SER HA H 3.884 0.02 1 1320 222 133 SER HB2 H 3.549 0.02 2 1321 222 133 SER HB3 H 3.331 0.02 2 1322 222 133 SER CA C 61.500 0.2 1 1323 222 133 SER CB C 62.207 0.2 1 1324 222 133 SER N N 115.963 0.2 1 1325 223 134 GLN H H 7.486 0.02 1 1326 223 134 GLN HA H 4.152 0.02 1 1327 223 134 GLN HB2 H 2.168 0.02 2 1328 223 134 GLN HB3 H 2.116 0.02 2 1329 223 134 GLN HG2 H 2.417 0.02 2 1330 223 134 GLN HG3 H 2.496 0.02 2 1331 223 134 GLN HE21 H 6.832 0.02 1 1332 223 134 GLN HE22 H 7.456 0.02 1 1333 223 134 GLN CA C 58.646 0.2 1 1334 223 134 GLN CB C 28.299 0.2 1 1335 223 134 GLN CG C 33.797 0.2 1 1336 223 134 GLN N N 120.695 0.2 1 1337 223 134 GLN NE2 N 111.727 0.2 1 1338 224 135 ALA H H 7.497 0.02 1 1339 224 135 ALA HA H 4.169 0.02 1 1340 224 135 ALA HB H 1.465 0.02 1 1341 224 135 ALA CA C 54.404 0.2 1 1342 224 135 ALA CB C 18.233 0.2 1 1343 224 135 ALA N N 120.905 0.2 1 1344 225 136 TYR H H 8.215 0.02 1 1345 225 136 TYR HA H 4.080 0.02 1 1346 225 136 TYR HB2 H 2.834 0.02 2 1347 225 136 TYR HB3 H 3.089 0.02 2 1348 225 136 TYR HD1 H 6.651 0.02 3 1349 225 136 TYR HD2 H 6.651 0.02 3 1350 225 136 TYR HE1 H 6.609 0.02 3 1351 225 136 TYR HE2 H 6.609 0.02 3 1352 225 136 TYR CA C 61.060 0.2 1 1353 225 136 TYR CB C 39.008 0.2 1 1354 225 136 TYR CD1 C 133.200 0.2 3 1355 225 136 TYR CD2 C 133.200 0.2 3 1356 225 136 TYR CE1 C 117.859 0.2 3 1357 225 136 TYR CE2 C 117.859 0.2 3 1358 225 136 TYR N N 119.969 0.2 1 1359 226 137 TYR H H 8.022 0.02 1 1360 226 137 TYR HA H 4.319 0.02 1 1361 226 137 TYR HB2 H 2.982 0.02 2 1362 226 137 TYR HB3 H 3.194 0.02 2 1363 226 137 TYR HD1 H 7.208 0.02 3 1364 226 137 TYR HD2 H 7.208 0.02 3 1365 226 137 TYR HE1 H 6.843 0.02 3 1366 226 137 TYR HE2 H 6.843 0.02 3 1367 226 137 TYR CA C 59.543 0.2 1 1368 226 137 TYR CB C 37.769 0.2 1 1369 226 137 TYR CD1 C 133.327 0.2 3 1370 226 137 TYR CD2 C 133.327 0.2 3 1371 226 137 TYR CE1 C 118.006 0.2 3 1372 226 137 TYR CE2 C 118.006 0.2 3 1373 226 137 TYR N N 117.988 0.2 1 1374 227 138 GLN H H 7.838 0.02 1 1375 227 138 GLN HA H 4.189 0.02 1 1376 227 138 GLN HB2 H 2.125 0.02 2 1377 227 138 GLN HB3 H 2.168 0.02 2 1378 227 138 GLN HG2 H 2.418 0.02 2 1379 227 138 GLN HG3 H 2.510 0.02 2 1380 227 138 GLN HE21 H 7.457 0.02 1 1381 227 138 GLN HE22 H 6.832 0.02 1 1382 227 138 GLN CA C 57.002 0.2 1 1383 227 138 GLN CB C 28.740 0.2 1 1384 227 138 GLN CG C 33.778 0.2 1 1385 227 138 GLN N N 118.911 0.2 1 1386 227 138 GLN NE2 N 111.757 0.2 1 1387 228 139 ARG H H 7.862 0.02 1 1388 228 139 ARG HA H 4.207 0.02 1 1389 228 139 ARG HB2 H 1.802 0.02 2 1390 228 139 ARG HB3 H 1.835 0.02 2 1391 228 139 ARG HG2 H 1.612 0.02 2 1392 228 139 ARG HG3 H 1.572 0.02 2 1393 228 139 ARG HD2 H 3.183 0.02 2 1394 228 139 ARG HD3 H 3.117 0.02 2 1395 228 139 ARG CA C 57.338 0.2 1 1396 228 139 ARG CB C 30.390 0.2 1 1397 228 139 ARG CG C 27.130 0.2 1 1398 228 139 ARG CD C 43.455 0.2 1 1399 228 139 ARG N N 119.910 0.2 1 1400 229 140 GLY H H 8.092 0.02 1 1401 229 140 GLY HA2 H 3.922 0.02 1 1402 229 140 GLY HA3 H 3.922 0.02 1 1403 229 140 GLY CA C 45.477 0.2 1 1404 229 140 GLY N N 108.627 0.2 1 1405 230 141 SER H H 8.050 0.02 1 1406 230 141 SER HA H 4.330 0.02 1 1407 230 141 SER HB2 H 3.856 0.02 1 1408 230 141 SER HB3 H 3.856 0.02 1 1409 230 141 SER CA C 58.650 0.2 1 1410 230 141 SER CB C 63.641 0.2 1 1411 230 141 SER N N 115.141 0.2 1 1412 231 142 SER H H 8.225 0.02 1 1413 231 142 SER HA H 4.331 0.02 1 1414 231 142 SER HB2 H 3.808 0.02 1 1415 231 142 SER HB3 H 3.808 0.02 1 1416 231 142 SER CA C 58.680 0.2 1 1417 231 142 SER CB C 63.543 0.2 1 1418 231 142 SER N N 117.161 0.2 1 stop_ save_