data_17714 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; human prion protein mutant HuPrP(90-231, M129, V210I) ; _BMRB_accession_number 17714 _BMRB_flat_file_name bmr17714.str _Entry_type original _Submission_date 2011-06-16 _Accession_date 2011-06-16 _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 Giachin Gabriele . . 4 Raspadori Andrea . . 5 Zhukov Igor . . 6 Plavec Janez . . 7 Legname Giuseppe . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 804 "13C chemical shifts" 459 "15N chemical shifts" 149 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2012-02-17 udpate BMRB 'update entry citation' 2011-08-19 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Toward the molecular basis of inherited prion diseases: NMR structure of the human prion protein with V210I mutation.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 21839748 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Biljan Ivana . . 2 Ilc Gregor . . 3 Giachin Gabriele . . 4 Raspadori Andrea . . 5 Zhukov Igor . . 6 Plavec Janez . . 7 Legname Giuseppe . . stop_ _Journal_abbreviation 'J. Mol. Biol.' _Journal_name_full 'Journal of molecular biology' _Journal_volume 412 _Journal_issue 4 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 660 _Page_last 673 _Year 2011 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'human prion protein mutant HuPrP(90-231, M129, V210I)' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label HuPrP $HuPrP 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_HuPrP _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common HuPrP _Molecular_mass 16654.660 _Mol_thiol_state 'all disulfide bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 147 _Mol_residue_sequence ; GAMDPGQGGGTHSQWNKPSK PKTNMKHMAGAAAAGAVVGG LGGYMLGSAMSRPIIHFGSD YEDRYYRENMHRYPNQVYYR PMDEYSNQNNFVHDCVNITI KQHTVTTTTKGENFTETDVK MMERVIEQMCITQYERESQA YYQRGSS ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 85 GLY 2 86 ALA 3 87 MET 4 88 ASP 5 89 PRO 6 90 GLY 7 91 GLN 8 92 GLY 9 93 GLY 10 94 GLY 11 95 THR 12 96 HIS 13 97 SER 14 98 GLN 15 99 TRP 16 100 ASN 17 101 LYS 18 102 PRO 19 103 SER 20 104 LYS 21 105 PRO 22 106 LYS 23 107 THR 24 108 ASN 25 109 MET 26 110 LYS 27 111 HIS 28 112 MET 29 113 ALA 30 114 GLY 31 115 ALA 32 116 ALA 33 117 ALA 34 118 ALA 35 119 GLY 36 120 ALA 37 121 VAL 38 122 VAL 39 123 GLY 40 124 GLY 41 125 LEU 42 126 GLY 43 127 GLY 44 128 TYR 45 129 MET 46 130 LEU 47 131 GLY 48 132 SER 49 133 ALA 50 134 MET 51 135 SER 52 136 ARG 53 137 PRO 54 138 ILE 55 139 ILE 56 140 HIS 57 141 PHE 58 142 GLY 59 143 SER 60 144 ASP 61 145 TYR 62 146 GLU 63 147 ASP 64 148 ARG 65 149 TYR 66 150 TYR 67 151 ARG 68 152 GLU 69 153 ASN 70 154 MET 71 155 HIS 72 156 ARG 73 157 TYR 74 158 PRO 75 159 ASN 76 160 GLN 77 161 VAL 78 162 TYR 79 163 TYR 80 164 ARG 81 165 PRO 82 166 MET 83 167 ASP 84 168 GLU 85 169 TYR 86 170 SER 87 171 ASN 88 172 GLN 89 173 ASN 90 174 ASN 91 175 PHE 92 176 VAL 93 177 HIS 94 178 ASP 95 179 CYS 96 180 VAL 97 181 ASN 98 182 ILE 99 183 THR 100 184 ILE 101 185 LYS 102 186 GLN 103 187 HIS 104 188 THR 105 189 VAL 106 190 THR 107 191 THR 108 192 THR 109 193 THR 110 194 LYS 111 195 GLY 112 196 GLU 113 197 ASN 114 198 PHE 115 199 THR 116 200 GLU 117 201 THR 118 202 ASP 119 203 VAL 120 204 LYS 121 205 MET 122 206 MET 123 207 GLU 124 208 ARG 125 209 VAL 126 210 ILE 127 211 GLU 128 212 GLN 129 213 MET 130 214 CYS 131 215 ILE 132 216 THR 133 217 GLN 134 218 TYR 135 219 GLU 136 220 ARG 137 221 GLU 138 222 SER 139 223 GLN 140 224 ALA 141 225 TYR 142 226 TYR 143 227 GLN 144 228 ARG 145 229 GLY 146 230 SER 147 231 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 97.96 146 97.92 100.00 3.68e-102 BMRB 16743 "HuPrP(90-231 M129 Q212P)" 96.60 148 98.59 99.30 4.23e-100 BMRB 16757 PrP^(91-231) 97.96 145 97.22 100.00 1.59e-101 BMRB 17756 hPrP(121-230) 74.83 113 99.09 100.00 2.95e-75 BMRB 17757 hPrP(121-230) 74.83 113 97.27 98.18 2.07e-72 BMRB 17780 Hpp_E219K 96.60 142 98.59 100.00 5.96e-101 BMRB 18426 entity 96.60 142 99.30 100.00 1.39e-101 BMRB 18550 V210I 100.00 147 100.00 100.00 5.33e-106 BMRB 19268 MAJOR_PRION_PROTEIN 97.96 146 98.61 100.00 6.48e-103 BMRB 4379 "human prion protein" 76.19 112 98.21 100.00 1.66e-76 BMRB 4402 "human prion protein" 95.92 210 99.29 100.00 1.63e-99 BMRB 4434 "human prion protein" 95.92 143 99.29 100.00 7.10e-101 BMRB 4620 "prion protein" 76.19 112 97.32 100.00 4.29e-76 BMRB 4641 "PRION PROTEIN" 97.96 146 98.61 100.00 7.23e-103 BMRB 4736 "human prion protein" 76.19 112 97.32 100.00 7.08e-76 PDB 1E1G "Human Prion Protein Variant M166v" 70.07 104 98.06 100.00 1.54e-69 PDB 1E1J "Human Prion Protein Variant M166v" 70.07 104 98.06 100.00 1.54e-69 PDB 1E1P "Human Prion Protein Variant S170n" 70.07 104 98.06 100.00 1.64e-69 PDB 1E1S "Human Prion Protein Variant S170n" 70.07 104 98.06 100.00 1.64e-69 PDB 1E1U "Human Prion Protein Variant R220k" 70.07 104 98.06 100.00 1.08e-69 PDB 1E1W "Human Prion Protein Variant R220k" 70.07 104 98.06 100.00 1.08e-69 PDB 1FKC "Human Prion Protein (Mutant E200k) Fragment 90-231" 96.60 142 98.59 100.00 5.96e-101 PDB 1FO7 "Human Prion Protein Mutant E200k Fragment 90-231" 96.60 142 98.59 100.00 5.96e-101 PDB 1HJM "Human Prion Protein At Ph 7.0" 70.07 104 99.03 100.00 3.45e-70 PDB 1HJN "Human Prion Protein At Ph 7.0" 70.07 104 99.03 100.00 3.45e-70 PDB 1I4M "Crystal Structure Of The Human Prion Protein Reveals A Mechanism For Oligomerization" 73.47 108 99.07 100.00 5.52e-74 PDB 1QLX "Human Prion Protein" 95.92 210 99.29 100.00 1.63e-99 PDB 1QLZ "Human Prion Protein" 95.92 210 99.29 100.00 1.63e-99 PDB 1QM0 "Human Prion Protein Fragment 90-230" 95.92 143 99.29 100.00 7.10e-101 PDB 1QM1 "Human Prion Protein Fragment 90-230" 95.92 143 99.29 100.00 7.10e-101 PDB 1QM2 "Human Prion Protein Fragment 121-230" 76.19 112 98.21 100.00 1.66e-76 PDB 1QM3 "Human Prion Protein Fragment 121-230" 76.19 112 98.21 100.00 1.66e-76 PDB 2K1D "Nmr Studies Of A Pathogenic Mutant (d178n) Of The Human Prion Protein" 97.96 146 97.92 100.00 3.68e-102 PDB 2KUN "Three Dimensional Structure Of Huprp(90-231 M129 Q212p)" 96.60 148 98.59 99.30 4.23e-100 PDB 2LEJ "Human Prion Protein Mutant Huprp(90-231, M129, V210i)" 100.00 147 100.00 100.00 5.33e-106 PDB 2LFT "Human Prion Protein With E219k Protective Polymorphism" 96.60 142 98.59 100.00 5.96e-101 PDB 2LSB "Solution-State Nmr Structure Of The Human Prion Protein" 96.60 142 99.30 100.00 1.39e-101 PDB 2LV1 "Solution-state Nmr Structure Of Prion Protein Mutant V210i At Neutral Ph" 100.00 147 100.00 100.00 5.33e-106 PDB 2M8T "Solution Nmr Structure Of The V209m Variant Of The Human Prion Protein (residues 90-231)" 97.96 146 98.61 100.00 6.48e-103 PDB 2W9E "Structure Of Icsm 18 (Anti-Prp Therapeutic Antibody) Fab Fragment Complexed With Human Prp Fragment 119-231" 76.87 113 99.12 100.00 9.94e-78 PDB 3HAF "Human Prion Protein Variant V129 Domain Swapped Dimer" 96.60 142 98.59 100.00 7.02e-101 PDB 3HAK "Human Prion Protein Variant V129" 70.07 103 98.06 100.00 1.22e-69 PDB 3HEQ "Human Prion Protein Variant D178n With M129" 96.60 142 98.59 100.00 8.36e-101 PDB 3HER "Human Prion Protein Variant F198s With V129" 96.60 142 97.89 99.30 1.16e-99 PDB 3HES "Human Prion Protein Variant F198s With M129" 96.60 142 98.59 99.30 2.94e-100 PDB 3HJ5 "Human Prion Protein Variant V129 Domain Swapped Dimer" 96.60 142 98.59 100.00 7.02e-101 PDB 3HJX "Human Prion Protein Variant D178n With V129" 72.11 106 97.17 100.00 5.81e-71 PDB 4DGI "Structure Of Pom1 Fab Fragment Complexed With Human Prpc Fragment 120- 230" 75.51 111 99.10 100.00 2.78e-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" 96.60 241 99.30 100.00 7.27e-100 PDB 4N9O "Probing The N-terminal Beta-sheet Conversion In The Crystal Structure Of The Human Prion Protein Bound To A Nanobody" 96.60 142 99.30 100.00 1.39e-101 DBJ BAA00011 "prion protein [Homo sapiens]" 96.60 245 98.59 99.30 6.14e-97 DBJ BAF62360 "prion protein, transcript variant 2 [Pan troglodytes verus]" 96.60 253 97.89 100.00 3.14e-98 DBJ BAG32276 "prion [Homo sapiens]" 96.60 253 99.30 100.00 1.97e-99 DBJ BAG32277 "prion [Homo sapiens]" 96.60 253 98.59 100.00 8.59e-99 DBJ BAG32278 "alternatively spliced variant form of prion [Homo sapiens]" 87.07 230 99.22 100.00 6.16e-89 EMBL CAA58442 "prion protein [Homo sapiens]" 96.60 245 99.30 100.00 1.99e-99 EMBL CAG46836 "PRNP [Homo sapiens]" 96.60 253 97.89 99.30 2.25e-96 EMBL CAG46869 "PRNP [Homo sapiens]" 96.60 253 98.59 100.00 8.59e-99 GB AAA19664 "prion protein [Homo sapiens]" 96.60 245 98.59 99.30 6.14e-97 GB AAA60182 "prion protein [Homo sapiens]" 96.60 253 99.30 100.00 1.97e-99 GB AAA68632 "major prion protein precursor [Pan troglodytes]" 96.60 253 97.89 100.00 3.14e-98 GB AAA68633 "major prion protein precursor [Gorilla gorilla]" 96.60 253 98.59 100.00 5.38e-99 GB AAB59442 "prion protein, partial [Homo sapiens]" 96.60 224 99.30 100.00 1.24e-99 REF NP_000302 "major prion protein preproprotein [Homo sapiens]" 96.60 253 99.30 100.00 1.97e-99 REF NP_001009093 "major prion protein preproprotein [Pan troglodytes]" 96.60 253 97.89 100.00 3.14e-98 REF NP_001073590 "major prion protein preproprotein [Homo sapiens]" 96.60 253 99.30 100.00 1.97e-99 REF NP_001073591 "major prion protein preproprotein [Homo sapiens]" 96.60 253 99.30 100.00 1.97e-99 REF NP_001073592 "major prion protein preproprotein [Homo sapiens]" 96.60 253 99.30 100.00 1.97e-99 SP P04156 "RecName: Full=Major prion protein; Short=PrP; AltName: Full=ASCR; AltName: Full=PrP27-30; AltName: Full=PrP33-35C; AltName: CD_" 96.60 253 99.30 100.00 1.97e-99 SP P40252 "RecName: Full=Major prion protein; Short=PrP; AltName: Full=PrP27-30; AltName: Full=PrP33-35C; AltName: CD_antigen=CD230; Flags" 96.60 253 98.59 100.00 5.68e-99 SP P61766 "RecName: Full=Major prion protein; Short=PrP; AltName: Full=PrP27-30; AltName: Full=PrP33-35C; AltName: CD_antigen=CD230; Flags" 96.60 253 97.89 100.00 3.14e-98 SP P61767 "RecName: Full=Major prion protein; Short=PrP; AltName: Full=PrP27-30; AltName: Full=PrP33-35C; AltName: CD_antigen=CD230; Flags" 96.60 253 97.89 100.00 3.14e-98 SP P61768 "RecName: Full=Major prion protein; Short=PrP; AltName: Full=PrP27-30; AltName: Full=PrP33-35C; AltName: CD_antigen=CD230; Flags" 96.60 253 97.89 100.00 3.14e-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 $HuPrP 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 $HuPrP 'recombinant technology' . Escherichia coli . pProExHTa stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '20 mM sodium acetic buffer, pH 5.5' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $HuPrP 0.6 mM '[U-100% 13C; U-100% 15N]' 'sodium acetate' 20 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details '20 mM sodium acetic buffer, pD 5.9' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $HuPrP 0.6 mM '[U-100% 13C; U-100% 15N]' 'sodium acetate' 20 mM 'natural abundance' D2O 100 % '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 3.115 loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' 'peak picking' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version 3.0 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 11.5.22 loop_ _Vendor _Address _Electronic_address (YASARA) . . stop_ loop_ _Task refinement stop_ _Details . save_ save_ProcheckNMR _Saveframe_category software _Name ProcheckNMR _Version . loop_ _Vendor _Address _Electronic_address 'Laskowski and MacArthur' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_WhatIF _Saveframe_category software _Name WhatIF _Version . loop_ _Vendor _Address _Electronic_address Vriend . . stop_ loop_ _Task 'data analysis' 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_2D_1H-13C_HSQC_aliphatic_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic' _Sample_label $sample_2 save_ save_2D_1H-13C_HSQC_aromatic_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aromatic' _Sample_label $sample_2 save_ save_3D_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCACB_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _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_1H-15N_NOESY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 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_ save_3D_HCCH-TOCSY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _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 external indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 external direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 external indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC aliphatic' '2D 1H-13C HSQC 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 HuPrP _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 86 2 ALA H H 8.614 0.02 1 2 86 2 ALA HA H 4.295 0.02 1 3 86 2 ALA HB H 1.380 0.02 1 4 86 2 ALA CA C 52.649 0.20 1 5 86 2 ALA CB C 19.285 0.20 1 6 86 2 ALA N N 123.505 0.20 1 7 87 3 MET H H 8.448 0.02 1 8 87 3 MET HA H 4.464 0.02 1 9 87 3 MET HB2 H 2.064 0.02 2 10 87 3 MET HB3 H 1.961 0.02 2 11 87 3 MET HG2 H 2.563 0.02 2 12 87 3 MET HG3 H 2.491 0.02 2 13 87 3 MET HE H 2.006 0.02 1 14 87 3 MET CA C 55.143 0.20 1 15 87 3 MET CB C 32.762 0.20 1 16 87 3 MET CG C 32.096 0.20 1 17 87 3 MET CE C 17.736 0.20 1 18 87 3 MET N N 118.564 0.20 1 19 88 4 ASP H H 8.191 0.02 1 20 88 4 ASP HA H 4.850 0.02 1 21 88 4 ASP HB2 H 2.719 0.02 2 22 88 4 ASP HB3 H 2.578 0.02 2 23 88 4 ASP CA C 52.357 0.20 1 24 88 4 ASP CB C 41.147 0.20 1 25 88 4 ASP N N 123.158 0.20 1 26 89 5 PRO HA H 4.416 0.02 1 27 89 5 PRO HB2 H 2.281 0.02 2 28 89 5 PRO HB3 H 1.880 0.02 2 29 89 5 PRO HG2 H 2.015 0.02 2 30 89 5 PRO HG3 H 2.015 0.02 2 31 89 5 PRO HD2 H 3.785 0.02 2 32 89 5 PRO HD3 H 3.785 0.02 2 33 89 5 PRO CA C 63.841 0.20 1 34 89 5 PRO CB C 32.054 0.20 1 35 89 5 PRO CG C 27.343 0.20 1 36 89 5 PRO CD C 50.833 0.20 1 37 90 6 GLY H H 8.513 0.02 1 38 90 6 GLY HA2 H 3.930 0.02 2 39 90 6 GLY HA3 H 3.930 0.02 2 40 90 6 GLY CA C 45.314 0.20 1 41 90 6 GLY N N 108.575 0.20 1 42 91 7 GLN H H 8.121 0.02 1 43 91 7 GLN HA H 4.336 0.02 1 44 91 7 GLN HB2 H 2.169 0.02 2 45 91 7 GLN HB3 H 1.989 0.02 2 46 91 7 GLN HG2 H 2.364 0.02 2 47 91 7 GLN HG3 H 2.353 0.02 2 48 91 7 GLN CA C 56.009 0.20 1 49 91 7 GLN CB C 29.329 0.20 1 50 91 7 GLN CG C 33.837 0.20 1 51 91 7 GLN N N 119.514 0.20 1 52 92 8 GLY H H 8.463 0.02 1 53 92 8 GLY HA2 H 3.977 0.02 2 54 92 8 GLY HA3 H 3.977 0.02 2 55 92 8 GLY CA C 45.320 0.20 1 56 92 8 GLY N N 109.760 0.20 1 57 93 9 GLY H H 8.306 0.02 1 58 93 9 GLY HA2 H 4.013 0.02 2 59 93 9 GLY HA3 H 3.934 0.02 2 60 93 9 GLY CA C 45.346 0.20 1 61 93 9 GLY N N 108.709 0.20 1 62 94 10 GLY H H 8.312 0.02 1 63 94 10 GLY HA2 H 3.978 0.02 2 64 94 10 GLY HA3 H 3.978 0.02 2 65 94 10 GLY CA C 45.364 0.20 1 66 94 10 GLY N N 108.696 0.20 1 67 95 11 THR H H 8.096 0.02 1 68 95 11 THR HA H 4.272 0.02 1 69 95 11 THR HB H 4.164 0.02 1 70 95 11 THR HG2 H 1.147 0.02 1 71 95 11 THR CA C 62.079 0.20 1 72 95 11 THR CB C 69.520 0.20 1 73 95 11 THR CG2 C 21.548 0.20 1 74 95 11 THR N N 113.382 0.20 1 75 96 12 HIS H H 8.497 0.02 1 76 96 12 HIS HA H 4.710 0.02 1 77 96 12 HIS HB2 H 3.131 0.02 2 78 96 12 HIS HB3 H 3.131 0.02 2 79 96 12 HIS HD2 H 7.133 0.02 1 80 96 12 HIS CA C 55.332 0.20 1 81 96 12 HIS CB C 29.114 0.20 1 82 96 12 HIS CD2 C 119.845 0.20 1 83 96 12 HIS N N 120.663 0.20 1 84 97 13 SER H H 8.255 0.02 1 85 97 13 SER HA H 4.375 0.02 1 86 97 13 SER HB2 H 3.805 0.02 2 87 97 13 SER HB3 H 3.756 0.02 2 88 97 13 SER CA C 58.520 0.20 1 89 97 13 SER CB C 63.724 0.20 1 90 97 13 SER N N 116.790 0.20 1 91 98 14 GLN H H 8.452 0.02 1 92 98 14 GLN HA H 4.275 0.02 1 93 98 14 GLN HB2 H 1.952 0.02 2 94 98 14 GLN HB3 H 1.859 0.02 2 95 98 14 GLN HG2 H 2.149 0.02 2 96 98 14 GLN HG3 H 2.149 0.02 2 97 98 14 GLN HE21 H 7.215 0.02 2 98 98 14 GLN HE22 H 7.323 0.02 2 99 98 14 GLN CA C 56.116 0.20 1 100 98 14 GLN CB C 29.194 0.20 1 101 98 14 GLN CG C 33.539 0.20 1 102 98 14 GLN N N 121.973 0.20 1 103 98 14 GLN NE2 N 110.654 0.20 1 104 99 15 TRP H H 8.066 0.02 1 105 99 15 TRP HA H 4.671 0.02 1 106 99 15 TRP HB2 H 3.295 0.02 2 107 99 15 TRP HB3 H 3.191 0.02 2 108 99 15 TRP HD1 H 7.228 0.02 1 109 99 15 TRP HE1 H 10.096 0.02 1 110 99 15 TRP HE3 H 7.597 0.02 1 111 99 15 TRP HZ2 H 7.449 0.02 1 112 99 15 TRP HZ3 H 7.114 0.02 1 113 99 15 TRP HH2 H 7.201 0.02 1 114 99 15 TRP CA C 57.154 0.20 1 115 99 15 TRP CB C 29.465 0.20 1 116 99 15 TRP CD1 C 126.917 0.20 1 117 99 15 TRP CE3 C 120.877 0.20 1 118 99 15 TRP CZ2 C 114.544 0.20 1 119 99 15 TRP CZ3 C 122.017 0.20 1 120 99 15 TRP CH2 C 124.650 0.20 1 121 99 15 TRP N N 121.479 0.20 1 122 99 15 TRP NE1 N 129.287 0.20 1 123 100 16 ASN H H 8.080 0.02 1 124 100 16 ASN HA H 4.604 0.02 1 125 100 16 ASN HB2 H 2.554 0.02 2 126 100 16 ASN HB3 H 2.534 0.02 2 127 100 16 ASN HD21 H 6.812 0.02 2 128 100 16 ASN HD22 H 7.438 0.02 2 129 100 16 ASN CA C 52.773 0.20 1 130 100 16 ASN CB C 38.807 0.20 1 131 100 16 ASN N N 120.389 0.20 1 132 100 16 ASN ND2 N 112.422 0.20 1 133 101 17 LYS H H 7.958 0.02 1 134 101 17 LYS HA H 4.449 0.02 1 135 101 17 LYS HB2 H 1.762 0.02 2 136 101 17 LYS HB3 H 1.633 0.02 2 137 101 17 LYS HG2 H 1.364 0.02 2 138 101 17 LYS HG3 H 1.364 0.02 2 139 101 17 LYS HD2 H 1.692 0.02 2 140 101 17 LYS HD3 H 1.661 0.02 2 141 101 17 LYS HE2 H 2.967 0.02 2 142 101 17 LYS HE3 H 2.967 0.02 2 143 101 17 LYS CA C 54.217 0.20 1 144 101 17 LYS CB C 32.558 0.20 1 145 101 17 LYS CG C 24.636 0.20 1 146 101 17 LYS CD C 29.105 0.20 1 147 101 17 LYS CE C 41.943 0.20 1 148 101 17 LYS N N 122.513 0.20 1 149 102 18 PRO HA H 4.430 0.02 1 150 102 18 PRO HB2 H 2.284 0.02 2 151 102 18 PRO HB3 H 1.897 0.02 2 152 102 18 PRO HG2 H 2.005 0.02 2 153 102 18 PRO HG3 H 2.005 0.02 2 154 102 18 PRO HD2 H 3.783 0.02 2 155 102 18 PRO HD3 H 3.621 0.02 2 156 102 18 PRO CA C 63.190 0.20 1 157 102 18 PRO CB C 32.222 0.20 1 158 102 18 PRO CG C 27.379 0.20 1 159 102 18 PRO CD C 50.754 0.20 1 160 103 19 SER H H 8.401 0.02 1 161 103 19 SER HA H 4.428 0.02 1 162 103 19 SER HB2 H 3.831 0.02 2 163 103 19 SER HB3 H 3.831 0.02 2 164 103 19 SER CA C 58.099 0.20 1 165 103 19 SER CB C 63.967 0.20 1 166 103 19 SER N N 116.774 0.20 1 167 104 20 LYS H H 8.295 0.02 1 168 104 20 LYS HA H 4.619 0.02 1 169 104 20 LYS HB2 H 1.758 0.02 2 170 104 20 LYS HB3 H 1.722 0.02 2 171 104 20 LYS HG2 H 1.460 0.02 2 172 104 20 LYS HG3 H 1.442 0.02 2 173 104 20 LYS HD2 H 1.687 0.02 2 174 104 20 LYS HD3 H 1.687 0.02 2 175 104 20 LYS HE2 H 3.003 0.02 2 176 104 20 LYS HE3 H 2.996 0.02 2 177 104 20 LYS CA C 54.231 0.20 1 178 104 20 LYS CB C 32.941 0.20 1 179 104 20 LYS CG C 24.944 0.20 1 180 104 20 LYS CD C 29.157 0.20 1 181 104 20 LYS CE C 41.983 0.20 1 182 104 20 LYS N N 124.057 0.20 1 183 105 21 PRO HA H 4.408 0.02 1 184 105 21 PRO HB2 H 2.284 0.02 2 185 105 21 PRO HB3 H 1.894 0.02 2 186 105 21 PRO HG2 H 2.016 0.02 2 187 105 21 PRO HG3 H 2.016 0.02 2 188 105 21 PRO HD2 H 3.620 0.02 2 189 105 21 PRO HD3 H 3.865 0.02 2 190 105 21 PRO CA C 63.111 0.20 1 191 105 21 PRO CB C 32.256 0.20 1 192 105 21 PRO CG C 27.390 0.20 1 193 105 21 PRO CD C 50.856 0.20 1 194 106 22 LYS H H 8.500 0.02 1 195 106 22 LYS HA H 4.339 0.02 1 196 106 22 LYS HB2 H 1.744 0.02 2 197 106 22 LYS HB3 H 1.861 0.02 2 198 106 22 LYS HG2 H 1.502 0.02 2 199 106 22 LYS HG3 H 1.450 0.02 2 200 106 22 LYS HD2 H 1.692 0.02 2 201 106 22 LYS HD3 H 1.662 0.02 2 202 106 22 LYS HE2 H 2.967 0.02 2 203 106 22 LYS HE3 H 2.967 0.02 2 204 106 22 LYS CA C 56.280 0.20 1 205 106 22 LYS CB C 33.024 0.20 1 206 106 22 LYS CG C 24.855 0.20 1 207 106 22 LYS CD C 29.116 0.20 1 208 106 22 LYS CE C 42.027 0.20 1 209 106 22 LYS N N 122.002 0.20 1 210 107 23 THR H H 8.118 0.02 1 211 107 23 THR HA H 4.324 0.02 1 212 107 23 THR HB H 4.167 0.02 1 213 107 23 THR HG2 H 1.178 0.02 1 214 107 23 THR CA C 61.636 0.20 1 215 107 23 THR CB C 69.771 0.20 1 216 107 23 THR CG2 C 21.583 0.20 1 217 107 23 THR N N 115.105 0.20 1 218 108 24 ASN H H 8.516 0.02 1 219 108 24 ASN HA H 4.712 0.02 1 220 108 24 ASN HB2 H 2.835 0.02 2 221 108 24 ASN HB3 H 2.760 0.02 2 222 108 24 ASN HD21 H 7.577 0.02 2 223 108 24 ASN HD22 H 6.879 0.02 2 224 108 24 ASN CA C 53.145 0.20 1 225 108 24 ASN CB C 38.771 0.20 1 226 108 24 ASN N N 121.228 0.20 1 227 108 24 ASN ND2 N 112.580 0.20 1 228 109 25 MET H H 8.324 0.02 1 229 109 25 MET HA H 4.435 0.02 1 230 109 25 MET HB2 H 2.003 0.02 2 231 109 25 MET HB3 H 1.965 0.02 2 232 109 25 MET HG2 H 2.563 0.02 2 233 109 25 MET HG3 H 2.490 0.02 2 234 109 25 MET HE H 2.073 0.02 1 235 109 25 MET CA C 55.565 0.20 1 236 109 25 MET CB C 32.811 0.20 1 237 109 25 MET CG C 32.037 0.20 1 238 109 25 MET CE C 16.988 0.20 1 239 109 25 MET N N 121.188 0.20 1 240 110 26 LYS H H 8.284 0.02 1 241 110 26 LYS HA H 4.234 0.02 1 242 110 26 LYS HB2 H 1.723 0.02 2 243 110 26 LYS HB3 H 1.753 0.02 2 244 110 26 LYS HG2 H 1.406 0.02 2 245 110 26 LYS HG3 H 1.342 0.02 2 246 110 26 LYS HD2 H 1.692 0.02 2 247 110 26 LYS HD3 H 1.662 0.02 2 248 110 26 LYS HE2 H 2.973 0.02 2 249 110 26 LYS HE3 H 2.960 0.02 2 250 110 26 LYS CA C 56.468 0.20 1 251 110 26 LYS CB C 33.001 0.20 1 252 110 26 LYS CG C 24.903 0.20 1 253 110 26 LYS CD C 29.048 0.20 1 254 110 26 LYS CE C 42.063 0.20 1 255 110 26 LYS N N 122.137 0.20 1 256 111 27 HIS H H 8.427 0.02 1 257 111 27 HIS HA H 4.658 0.02 1 258 111 27 HIS HB2 H 3.208 0.02 2 259 111 27 HIS HB3 H 3.190 0.02 2 260 111 27 HIS HD2 H 7.133 0.02 1 261 111 27 HIS CA C 55.368 0.20 1 262 111 27 HIS CB C 29.515 0.20 1 263 111 27 HIS CD2 C 119.845 0.20 1 264 111 27 HIS N N 119.887 0.20 1 265 112 28 MET H H 8.347 0.02 1 266 112 28 MET HA H 4.464 0.02 1 267 112 28 MET HB2 H 2.059 0.02 2 268 112 28 MET HB3 H 1.957 0.02 2 269 112 28 MET HG2 H 2.565 0.02 2 270 112 28 MET HG3 H 2.490 0.02 2 271 112 28 MET HE H 2.073 0.02 1 272 112 28 MET CA C 55.165 0.20 1 273 112 28 MET CB C 33.002 0.20 1 274 112 28 MET CG C 32.060 0.20 1 275 112 28 MET CE C 17.048 0.20 1 276 112 28 MET N N 122.440 0.20 1 277 113 29 ALA H H 8.382 0.02 1 278 113 29 ALA HA H 4.295 0.02 1 279 113 29 ALA HB H 1.381 0.02 1 280 113 29 ALA CA C 52.682 0.20 1 281 113 29 ALA CB C 19.292 0.20 1 282 113 29 ALA N N 125.614 0.20 1 283 114 30 GLY H H 8.378 0.02 1 284 114 30 GLY HA2 H 3.936 0.02 2 285 114 30 GLY HA3 H 3.924 0.02 2 286 114 30 GLY CA C 45.256 0.20 1 287 114 30 GLY N N 108.485 0.20 1 288 115 31 ALA H H 8.123 0.02 1 289 115 31 ALA HA H 4.293 0.02 1 290 115 31 ALA HB H 1.381 0.02 1 291 115 31 ALA CA C 52.600 0.20 1 292 115 31 ALA CB C 19.356 0.20 1 293 115 31 ALA N N 123.808 0.20 1 294 116 32 ALA H H 8.174 0.02 1 295 116 32 ALA HA H 4.295 0.02 1 296 116 32 ALA HB H 1.384 0.02 1 297 116 32 ALA CA C 52.532 0.20 1 298 116 32 ALA CB C 19.259 0.20 1 299 116 32 ALA N N 123.151 0.20 1 300 117 33 ALA H H 8.207 0.02 1 301 117 33 ALA HA H 4.285 0.02 1 302 117 33 ALA HB H 1.384 0.02 1 303 117 33 ALA CA C 52.559 0.20 1 304 117 33 ALA CB C 19.284 0.20 1 305 117 33 ALA N N 123.151 0.20 1 306 118 34 ALA H H 8.260 0.02 1 307 118 34 ALA HA H 4.297 0.02 1 308 118 34 ALA HB H 1.374 0.02 1 309 118 34 ALA CA C 52.626 0.20 1 310 118 34 ALA CB C 19.230 0.20 1 311 118 34 ALA N N 123.074 0.20 1 312 119 35 GLY H H 8.248 0.02 1 313 119 35 GLY HA2 H 3.936 0.02 2 314 119 35 GLY HA3 H 3.924 0.02 2 315 119 35 GLY CA C 45.282 0.20 1 316 119 35 GLY N N 107.856 0.20 1 317 120 36 ALA H H 8.049 0.02 1 318 120 36 ALA HA H 4.373 0.02 1 319 120 36 ALA HB H 1.378 0.02 1 320 120 36 ALA CA C 52.274 0.20 1 321 120 36 ALA CB C 19.375 0.20 1 322 120 36 ALA N N 123.476 0.20 1 323 121 37 VAL H H 8.103 0.02 1 324 121 37 VAL HA H 4.137 0.02 1 325 121 37 VAL HB H 2.003 0.02 1 326 121 37 VAL HG1 H 0.893 0.02 2 327 121 37 VAL HG2 H 0.848 0.02 2 328 121 37 VAL CA C 62.209 0.20 1 329 121 37 VAL CB C 32.802 0.20 1 330 121 37 VAL CG1 C 20.779 0.20 2 331 121 37 VAL CG2 C 21.278 0.20 2 332 121 37 VAL N N 119.560 0.20 1 333 122 38 VAL H H 8.246 0.02 1 334 122 38 VAL HA H 4.087 0.02 1 335 122 38 VAL HB H 1.984 0.02 1 336 122 38 VAL HG1 H 0.893 0.02 2 337 122 38 VAL HG2 H 0.848 0.02 2 338 122 38 VAL CA C 62.455 0.20 1 339 122 38 VAL CB C 32.753 0.20 1 340 122 38 VAL CG1 C 20.800 0.20 2 341 122 38 VAL CG2 C 21.301 0.20 2 342 122 38 VAL N N 124.610 0.20 1 343 123 39 GLY H H 8.554 0.02 1 344 123 39 GLY HA2 H 3.931 0.02 2 345 123 39 GLY HA3 H 3.931 0.02 2 346 123 39 GLY CA C 45.291 0.20 1 347 123 39 GLY N N 113.357 0.20 1 348 124 40 GLY H H 8.249 0.02 1 349 124 40 GLY HA2 H 3.936 0.02 2 350 124 40 GLY HA3 H 3.936 0.02 2 351 124 40 GLY CA C 45.305 0.20 1 352 124 40 GLY N N 108.401 0.20 1 353 125 41 LEU H H 8.182 0.02 1 354 125 41 LEU HA H 4.376 0.02 1 355 125 41 LEU HB2 H 1.551 0.02 2 356 125 41 LEU HB3 H 1.617 0.02 2 357 125 41 LEU HG H 1.510 0.02 1 358 125 41 LEU HD1 H 0.706 0.02 2 359 125 41 LEU HD2 H 0.605 0.02 2 360 125 41 LEU CA C 54.875 0.20 1 361 125 41 LEU CB C 42.587 0.20 1 362 125 41 LEU CG C 27.009 0.20 1 363 125 41 LEU CD1 C 24.794 0.20 2 364 125 41 LEU CD2 C 23.594 0.20 2 365 125 41 LEU N N 121.788 0.20 1 366 126 42 GLY H H 8.488 0.02 1 367 126 42 GLY HA2 H 3.927 0.02 2 368 126 42 GLY HA3 H 3.839 0.02 2 369 126 42 GLY CA C 46.047 0.20 1 370 126 42 GLY N N 109.719 0.20 1 371 127 43 GLY H H 8.298 0.02 1 372 127 43 GLY HA2 H 3.736 0.02 2 373 127 43 GLY HA3 H 3.931 0.02 2 374 127 43 GLY CA C 45.112 0.20 1 375 127 43 GLY N N 108.892 0.20 1 376 128 44 TYR H H 7.691 0.02 1 377 128 44 TYR HA H 4.492 0.02 1 378 128 44 TYR HB2 H 2.844 0.02 2 379 128 44 TYR HB3 H 2.951 0.02 2 380 128 44 TYR HD1 H 6.813 0.02 3 381 128 44 TYR HD2 H 6.813 0.02 3 382 128 44 TYR HE1 H 6.658 0.02 3 383 128 44 TYR HE2 H 6.658 0.02 3 384 128 44 TYR CA C 58.264 0.20 1 385 128 44 TYR CB C 40.430 0.20 1 386 128 44 TYR CD1 C 132.839 0.20 3 387 128 44 TYR CD2 C 132.839 0.20 3 388 128 44 TYR CE1 C 118.066 0.20 3 389 128 44 TYR CE2 C 118.066 0.20 3 390 128 44 TYR N N 117.459 0.20 1 391 129 45 MET H H 8.977 0.02 1 392 129 45 MET HA H 4.549 0.02 1 393 129 45 MET HB2 H 1.549 0.02 2 394 129 45 MET HB3 H 0.905 0.02 2 395 129 45 MET HG2 H 2.286 0.02 2 396 129 45 MET HG3 H 2.211 0.02 2 397 129 45 MET HE H 1.995 0.02 1 398 129 45 MET CA C 53.664 0.20 1 399 129 45 MET CB C 34.752 0.20 1 400 129 45 MET CG C 32.305 0.20 1 401 129 45 MET CE C 17.266 0.20 1 402 129 45 MET N N 120.735 0.20 1 403 130 46 LEU H H 8.050 0.02 1 404 130 46 LEU HA H 4.460 0.02 1 405 130 46 LEU HB2 H 1.606 0.02 2 406 130 46 LEU HB3 H 0.952 0.02 2 407 130 46 LEU HG H 1.371 0.02 1 408 130 46 LEU HD1 H -0.032 0.02 2 409 130 46 LEU HD2 H 0.617 0.02 2 410 130 46 LEU CA C 53.376 0.20 1 411 130 46 LEU CB C 43.635 0.20 1 412 130 46 LEU CG C 26.033 0.20 1 413 130 46 LEU CD1 C 21.697 0.20 2 414 130 46 LEU CD2 C 25.861 0.20 2 415 130 46 LEU N N 121.372 0.20 1 416 131 47 GLY H H 9.339 0.02 1 417 131 47 GLY HA2 H 4.420 0.02 2 418 131 47 GLY HA3 H 3.986 0.02 2 419 131 47 GLY CA C 44.766 0.20 1 420 131 47 GLY N N 115.005 0.20 1 421 132 48 SER H H 8.360 0.02 1 422 132 48 SER HA H 4.412 0.02 1 423 132 48 SER HB2 H 3.967 0.02 2 424 132 48 SER HB3 H 3.871 0.02 2 425 132 48 SER CA C 58.446 0.20 1 426 132 48 SER CB C 64.024 0.20 1 427 132 48 SER N N 113.604 0.20 1 428 133 49 ALA H H 8.754 0.02 1 429 133 49 ALA HA H 4.427 0.02 1 430 133 49 ALA HB H 1.275 0.02 1 431 133 49 ALA CA C 53.016 0.20 1 432 133 49 ALA CB C 18.576 0.20 1 433 133 49 ALA N N 125.601 0.20 1 434 134 50 MET H H 8.705 0.02 1 435 134 50 MET HA H 4.741 0.02 1 436 134 50 MET HB2 H 1.996 0.02 2 437 134 50 MET HB3 H 2.033 0.02 2 438 134 50 MET HG2 H 2.460 0.02 2 439 134 50 MET HG3 H 2.417 0.02 2 440 134 50 MET HE H 2.150 0.02 1 441 134 50 MET CA C 53.939 0.20 1 442 134 50 MET CB C 37.027 0.20 1 443 134 50 MET CG C 31.080 0.20 1 444 134 50 MET CE C 17.768 0.20 1 445 134 50 MET N N 120.807 0.20 1 446 135 51 SER H H 8.413 0.02 1 447 135 51 SER HA H 4.334 0.02 1 448 135 51 SER HB2 H 3.816 0.02 2 449 135 51 SER HB3 H 3.733 0.02 2 450 135 51 SER CA C 58.579 0.20 1 451 135 51 SER CB C 63.064 0.20 1 452 135 51 SER N N 116.232 0.20 1 453 136 52 ARG H H 8.631 0.02 1 454 136 52 ARG HA H 4.372 0.02 1 455 136 52 ARG HB2 H 1.692 0.02 2 456 136 52 ARG HB3 H 1.609 0.02 2 457 136 52 ARG HG2 H 1.929 0.02 2 458 136 52 ARG HG3 H 1.929 0.02 2 459 136 52 ARG HD2 H 3.158 0.02 2 460 136 52 ARG HD3 H 3.119 0.02 2 461 136 52 ARG CA C 54.834 0.20 1 462 136 52 ARG CB C 29.182 0.20 1 463 136 52 ARG CG C 28.711 0.20 1 464 136 52 ARG CD C 43.501 0.20 1 465 136 52 ARG N N 126.477 0.20 1 466 137 53 PRO HA H 4.423 0.02 1 467 137 53 PRO HB2 H 1.731 0.02 2 468 137 53 PRO HB3 H 2.221 0.02 2 469 137 53 PRO HG2 H 1.983 0.02 2 470 137 53 PRO HG3 H 1.983 0.02 2 471 137 53 PRO HD2 H 3.930 0.02 2 472 137 53 PRO HD3 H 3.930 0.02 2 473 137 53 PRO CA C 62.431 0.20 1 474 137 53 PRO CB C 32.368 0.20 1 475 137 53 PRO CG C 27.444 0.20 1 476 137 53 PRO CD C 50.767 0.20 1 477 138 54 ILE H H 8.623 0.02 1 478 138 54 ILE HA H 4.153 0.02 1 479 138 54 ILE HB H 1.904 0.02 1 480 138 54 ILE HG12 H 1.583 0.02 2 481 138 54 ILE HG13 H 1.369 0.02 2 482 138 54 ILE HG2 H 0.731 0.02 1 483 138 54 ILE HD1 H 0.889 0.02 1 484 138 54 ILE CA C 60.790 0.20 1 485 138 54 ILE CB C 36.385 0.20 1 486 138 54 ILE CG1 C 27.165 0.20 1 487 138 54 ILE CG2 C 17.482 0.20 1 488 138 54 ILE CD1 C 11.404 0.20 1 489 138 54 ILE N N 122.606 0.20 1 490 139 55 ILE H H 6.485 0.02 1 491 139 55 ILE HA H 3.923 0.02 1 492 139 55 ILE HB H 0.875 0.02 1 493 139 55 ILE HG12 H 0.892 0.02 2 494 139 55 ILE HG13 H 0.750 0.02 2 495 139 55 ILE HG2 H -0.039 0.02 1 496 139 55 ILE HD1 H 0.463 0.02 1 497 139 55 ILE CA C 58.806 0.20 1 498 139 55 ILE CB C 39.470 0.20 1 499 139 55 ILE CG1 C 26.708 0.20 1 500 139 55 ILE CG2 C 17.243 0.20 1 501 139 55 ILE CD1 C 12.703 0.20 1 502 139 55 ILE N N 126.567 0.20 1 503 140 56 HIS H H 8.223 0.02 1 504 140 56 HIS HA H 4.919 0.02 1 505 140 56 HIS HB2 H 2.948 0.02 2 506 140 56 HIS HB3 H 3.296 0.02 2 507 140 56 HIS HD2 H 7.216 0.02 1 508 140 56 HIS HE1 H 8.473 0.02 1 509 140 56 HIS CA C 54.157 0.20 1 510 140 56 HIS CB C 29.486 0.20 1 511 140 56 HIS CD2 C 119.694 0.20 1 512 140 56 HIS CE1 C 136.389 0.20 1 513 140 56 HIS N N 122.010 0.20 1 514 141 57 PHE H H 10.126 0.02 1 515 141 57 PHE HA H 4.360 0.02 1 516 141 57 PHE HB2 H 2.967 0.02 2 517 141 57 PHE HB3 H 2.742 0.02 2 518 141 57 PHE HD1 H 7.314 0.02 3 519 141 57 PHE HD2 H 7.313 0.02 3 520 141 57 PHE HE1 H 6.887 0.02 3 521 141 57 PHE HE2 H 6.887 0.02 3 522 141 57 PHE HZ H 6.690 0.02 1 523 141 57 PHE CA C 59.307 0.20 1 524 141 57 PHE CB C 41.953 0.20 1 525 141 57 PHE CD1 C 132.091 0.20 3 526 141 57 PHE CD2 C 132.086 0.20 3 527 141 57 PHE CE1 C 131.359 0.20 3 528 141 57 PHE CE2 C 131.359 0.20 3 529 141 57 PHE CZ C 129.296 0.20 1 530 141 57 PHE N N 124.340 0.20 1 531 142 58 GLY H H 8.989 0.02 1 532 142 58 GLY HA2 H 4.155 0.02 2 533 142 58 GLY HA3 H 3.834 0.02 2 534 142 58 GLY CA C 45.689 0.20 1 535 142 58 GLY N N 108.332 0.20 1 536 143 59 SER H H 7.323 0.02 1 537 143 59 SER HA H 4.808 0.02 1 538 143 59 SER HB2 H 4.116 0.02 2 539 143 59 SER HB3 H 3.924 0.02 2 540 143 59 SER CA C 56.654 0.20 1 541 143 59 SER CB C 66.028 0.20 1 542 143 59 SER N N 111.807 0.20 1 543 144 60 ASP H H 9.000 0.02 1 544 144 60 ASP HA H 4.500 0.02 1 545 144 60 ASP HB2 H 2.741 0.02 2 546 144 60 ASP HB3 H 2.718 0.02 2 547 144 60 ASP CA C 57.621 0.20 1 548 144 60 ASP CB C 40.980 0.20 1 549 144 60 ASP N N 124.251 0.20 1 550 145 61 TYR H H 8.540 0.02 1 551 145 61 TYR HA H 4.192 0.02 1 552 145 61 TYR HB2 H 2.847 0.02 2 553 145 61 TYR HB3 H 3.250 0.02 2 554 145 61 TYR HD1 H 7.051 0.02 3 555 145 61 TYR HD2 H 7.051 0.02 3 556 145 61 TYR HE1 H 6.756 0.02 3 557 145 61 TYR HE2 H 6.756 0.02 3 558 145 61 TYR CA C 61.432 0.20 1 559 145 61 TYR CB C 38.177 0.20 1 560 145 61 TYR CD1 C 133.336 0.20 3 561 145 61 TYR CD2 C 133.336 0.20 3 562 145 61 TYR CE1 C 118.407 0.20 3 563 145 61 TYR CE2 C 118.421 0.20 3 564 145 61 TYR N N 118.980 0.20 1 565 146 62 GLU H H 7.736 0.02 1 566 146 62 GLU HA H 3.558 0.02 1 567 146 62 GLU HB2 H 1.891 0.02 2 568 146 62 GLU HB3 H 1.550 0.02 2 569 146 62 GLU HG2 H 1.898 0.02 2 570 146 62 GLU HG3 H 2.237 0.02 2 571 146 62 GLU CA C 59.947 0.20 1 572 146 62 GLU CB C 30.252 0.20 1 573 146 62 GLU CG C 38.109 0.20 1 574 146 62 GLU N N 119.203 0.20 1 575 148 64 ARG H H 8.179 0.02 1 576 148 64 ARG HA H 3.999 0.02 1 577 148 64 ARG HB2 H 1.893 0.02 2 578 148 64 ARG HB3 H 1.893 0.02 2 579 148 64 ARG HG2 H 1.738 0.02 2 580 148 64 ARG HG3 H 1.528 0.02 2 581 148 64 ARG HD2 H 3.219 0.02 2 582 148 64 ARG HD3 H 3.157 0.02 2 583 148 64 ARG CA C 59.648 0.20 1 584 148 64 ARG CB C 29.924 0.20 1 585 148 64 ARG CG C 27.840 0.20 1 586 148 64 ARG CD C 43.430 0.20 1 587 148 64 ARG N N 120.241 0.20 1 588 149 65 TYR H H 8.318 0.02 1 589 149 65 TYR HA H 3.819 0.02 1 590 149 65 TYR HB2 H 2.557 0.02 2 591 149 65 TYR HB3 H 2.843 0.02 2 592 149 65 TYR HD1 H 6.898 0.02 3 593 149 65 TYR HD2 H 6.898 0.02 3 594 149 65 TYR HE1 H 6.854 0.02 3 595 149 65 TYR HE2 H 6.854 0.02 3 596 149 65 TYR CA C 62.254 0.20 1 597 149 65 TYR CB C 38.542 0.20 1 598 149 65 TYR CD1 C 133.017 0.20 3 599 149 65 TYR CD2 C 133.025 0.20 3 600 149 65 TYR CE1 C 118.060 0.20 3 601 149 65 TYR CE2 C 118.060 0.20 3 602 149 65 TYR N N 121.174 0.20 1 603 150 66 TYR H H 8.932 0.02 1 604 150 66 TYR HA H 4.121 0.02 1 605 150 66 TYR HB2 H 3.162 0.02 2 606 150 66 TYR HB3 H 3.540 0.02 2 607 150 66 TYR HD1 H 7.526 0.02 3 608 150 66 TYR HD2 H 7.526 0.02 3 609 150 66 TYR HE1 H 7.011 0.02 3 610 150 66 TYR HE2 H 7.011 0.02 3 611 150 66 TYR CA C 63.031 0.20 1 612 150 66 TYR CB C 38.243 0.20 1 613 150 66 TYR CD1 C 133.490 0.20 3 614 150 66 TYR CD2 C 133.490 0.20 3 615 150 66 TYR CE1 C 118.256 0.20 3 616 150 66 TYR CE2 C 118.256 0.20 3 617 150 66 TYR N N 120.403 0.20 1 618 151 67 ARG H H 7.938 0.02 1 619 151 67 ARG HA H 3.923 0.02 1 620 151 67 ARG HB2 H 2.075 0.02 2 621 151 67 ARG HB3 H 1.947 0.02 2 622 151 67 ARG HG2 H 2.020 0.02 2 623 151 67 ARG HG3 H 1.743 0.02 2 624 151 67 ARG HD2 H 3.276 0.02 2 625 151 67 ARG HD3 H 3.368 0.02 2 626 151 67 ARG CA C 59.927 0.20 1 627 151 67 ARG CB C 29.978 0.20 1 628 151 67 ARG CG C 28.328 0.20 1 629 151 67 ARG CD C 43.382 0.20 1 630 151 67 ARG N N 117.923 0.20 1 631 152 68 GLU H H 8.045 0.02 1 632 152 68 GLU HA H 4.064 0.02 1 633 152 68 GLU HB2 H 1.884 0.02 2 634 152 68 GLU HB3 H 1.899 0.02 2 635 152 68 GLU HG2 H 2.199 0.02 2 636 152 68 GLU HG3 H 2.419 0.02 2 637 152 68 GLU CA C 58.098 0.20 1 638 152 68 GLU CB C 29.979 0.20 1 639 152 68 GLU CG C 36.545 0.20 1 640 152 68 GLU N N 116.389 0.20 1 641 153 69 ASN H H 7.539 0.02 1 642 153 69 ASN HA H 4.371 0.02 1 643 153 69 ASN HB2 H 2.157 0.02 2 644 153 69 ASN HB3 H 2.157 0.02 2 645 153 69 ASN HD21 H 6.793 0.02 2 646 153 69 ASN HD22 H 6.537 0.02 2 647 153 69 ASN CA C 54.896 0.20 1 648 153 69 ASN CB C 41.206 0.20 1 649 153 69 ASN N N 114.747 0.20 1 650 153 69 ASN ND2 N 117.123 0.20 1 651 154 70 MET H H 8.021 0.02 1 652 154 70 MET HA H 3.432 0.02 1 653 154 70 MET HB2 H 1.318 0.02 2 654 154 70 MET HB3 H 1.665 0.02 2 655 154 70 MET HG2 H 2.536 0.02 2 656 154 70 MET HG3 H 2.144 0.02 2 657 154 70 MET HE H 2.006 0.02 1 658 154 70 MET CA C 59.245 0.20 1 659 154 70 MET CB C 30.366 0.20 1 660 154 70 MET CG C 30.604 0.20 1 661 154 70 MET CE C 17.697 0.20 1 662 154 70 MET N N 119.156 0.20 1 663 155 71 HIS H H 7.972 0.02 1 664 155 71 HIS HA H 4.197 0.02 1 665 155 71 HIS HB2 H 3.247 0.02 2 666 155 71 HIS HB3 H 2.967 0.02 2 667 155 71 HIS HD2 H 7.386 0.02 1 668 155 71 HIS CA C 57.795 0.20 1 669 155 71 HIS CB C 29.025 0.20 1 670 155 71 HIS CD2 C 120.157 0.20 1 671 155 71 HIS N N 115.717 0.20 1 672 156 72 ARG H H 7.494 0.02 1 673 156 72 ARG HA H 4.092 0.02 1 674 156 72 ARG HB2 H 1.395 0.02 2 675 156 72 ARG HB3 H 2.092 0.02 2 676 156 72 ARG HG2 H 1.369 0.02 2 677 156 72 ARG HG3 H 0.313 0.02 2 678 156 72 ARG HD2 H 3.076 0.02 2 679 156 72 ARG HD3 H 3.246 0.02 2 680 156 72 ARG CA C 56.255 0.20 1 681 156 72 ARG CB C 30.668 0.20 1 682 156 72 ARG CG C 27.304 0.20 1 683 156 72 ARG CD C 44.128 0.20 1 684 156 72 ARG N N 118.743 0.20 1 685 157 73 TYR H H 7.417 0.02 1 686 157 73 TYR HA H 5.021 0.02 1 687 157 73 TYR HB2 H 3.117 0.02 2 688 157 73 TYR HB3 H 3.116 0.02 2 689 157 73 TYR HD1 H 6.887 0.02 3 690 157 73 TYR HD2 H 6.887 0.02 3 691 157 73 TYR HE1 H 6.554 0.02 3 692 157 73 TYR HE2 H 6.554 0.02 3 693 157 73 TYR CA C 52.636 0.20 1 694 157 73 TYR CB C 35.138 0.20 1 695 157 73 TYR CD1 C 131.268 0.20 3 696 157 73 TYR CD2 C 131.272 0.20 3 697 157 73 TYR CE1 C 117.029 0.20 3 698 157 73 TYR CE2 C 117.029 0.20 3 699 157 73 TYR N N 121.155 0.20 1 700 158 74 PRO HA H 4.488 0.02 1 701 158 74 PRO HB2 H 1.720 0.02 2 702 158 74 PRO HB3 H 2.069 0.02 2 703 158 74 PRO HG2 H 1.604 0.02 2 704 158 74 PRO HG3 H 1.197 0.02 2 705 158 74 PRO HD2 H 3.179 0.02 2 706 158 74 PRO HD3 H 3.153 0.02 2 707 158 74 PRO CA C 63.628 0.20 1 708 158 74 PRO CB C 32.549 0.20 1 709 158 74 PRO CG C 27.461 0.20 1 710 158 74 PRO CD C 49.883 0.20 1 711 159 75 ASN H H 8.470 0.02 1 712 159 75 ASN HA H 4.718 0.02 1 713 159 75 ASN HB2 H 2.405 0.02 2 714 159 75 ASN HB3 H 2.405 0.02 2 715 159 75 ASN HD21 H 6.749 0.02 2 716 159 75 ASN HD22 H 7.445 0.02 2 717 159 75 ASN CA C 51.862 0.20 1 718 159 75 ASN CB C 38.212 0.20 1 719 159 75 ASN N N 115.787 0.20 1 720 159 75 ASN ND2 N 109.022 0.20 1 721 160 76 GLN H H 7.200 0.02 1 722 160 76 GLN HA H 4.531 0.02 1 723 160 76 GLN HB2 H 1.694 0.02 2 724 160 76 GLN HB3 H 1.979 0.02 2 725 160 76 GLN HG2 H 2.034 0.02 2 726 160 76 GLN HG3 H 2.150 0.02 2 727 160 76 GLN HE21 H 7.906 0.02 2 728 160 76 GLN HE22 H 6.936 0.02 2 729 160 76 GLN CA C 54.311 0.20 1 730 160 76 GLN CB C 33.891 0.20 1 731 160 76 GLN CG C 34.260 0.20 1 732 160 76 GLN N N 113.794 0.20 1 733 160 76 GLN NE2 N 112.558 0.20 1 734 161 77 VAL H H 8.455 0.02 1 735 161 77 VAL HA H 4.887 0.02 1 736 161 77 VAL HB H 2.608 0.02 1 737 161 77 VAL HG1 H 0.953 0.02 2 738 161 77 VAL HG2 H 0.746 0.02 2 739 161 77 VAL CA C 58.796 0.20 1 740 161 77 VAL CB C 34.042 0.20 1 741 161 77 VAL CG1 C 23.770 0.20 2 742 161 77 VAL CG2 C 18.428 0.20 2 743 161 77 VAL N N 112.453 0.20 1 744 162 78 TYR H H 8.478 0.02 1 745 162 78 TYR HA H 5.537 0.02 1 746 162 78 TYR HB2 H 2.497 0.02 2 747 162 78 TYR HB3 H 2.642 0.02 2 748 162 78 TYR HD1 H 6.925 0.02 3 749 162 78 TYR HD2 H 6.926 0.02 3 750 162 78 TYR HE1 H 6.757 0.02 3 751 162 78 TYR HE2 H 6.757 0.02 3 752 162 78 TYR CA C 57.056 0.20 1 753 162 78 TYR CB C 41.984 0.20 1 754 162 78 TYR CD1 C 133.376 0.20 3 755 162 78 TYR CD2 C 133.383 0.20 3 756 162 78 TYR CE1 C 117.963 0.20 3 757 162 78 TYR CE2 C 117.963 0.20 3 758 162 78 TYR N N 121.224 0.20 1 759 163 79 TYR H H 8.557 0.02 1 760 163 79 TYR HA H 4.738 0.02 1 761 163 79 TYR HB2 H 2.882 0.02 2 762 163 79 TYR HB3 H 2.840 0.02 2 763 163 79 TYR HD1 H 6.949 0.02 3 764 163 79 TYR HD2 H 6.950 0.02 3 765 163 79 TYR HE1 H 6.460 0.02 3 766 163 79 TYR HE2 H 6.460 0.02 3 767 163 79 TYR CA C 55.915 0.20 1 768 163 79 TYR CB C 40.324 0.20 1 769 163 79 TYR CD1 C 133.587 0.20 3 770 163 79 TYR CD2 C 133.593 0.20 3 771 163 79 TYR CE1 C 117.788 0.20 3 772 163 79 TYR CE2 C 117.788 0.20 3 773 163 79 TYR N N 110.937 0.20 1 774 166 82 MET H H 8.973 0.02 1 775 166 82 MET HA H 4.445 0.02 1 776 166 82 MET HB2 H 2.287 0.02 2 777 166 82 MET HB3 H 2.211 0.02 2 778 166 82 MET HG2 H 1.817 0.02 2 779 166 82 MET HG3 H 1.740 0.02 2 780 166 82 MET HE H 1.594 0.02 1 781 166 82 MET CA C 57.496 0.20 1 782 166 82 MET CB C 32.380 0.20 1 783 166 82 MET CG C 32.770 0.20 1 784 166 82 MET CE C 17.225 0.20 1 785 166 82 MET N N 120.974 0.20 1 786 168 84 GLU H H 8.422 0.02 1 787 168 84 GLU HA H 4.336 0.02 1 788 168 84 GLU HB2 H 2.004 0.02 2 789 168 84 GLU HB3 H 1.956 0.02 2 790 168 84 GLU HG2 H 2.564 0.02 2 791 168 84 GLU HG3 H 2.564 0.02 2 792 168 84 GLU CA C 56.085 0.20 1 793 168 84 GLU CB C 32.928 0.20 1 794 168 84 GLU CG C 32.121 0.20 1 795 168 84 GLU N N 126.021 0.20 1 796 169 85 TYR H H 8.382 0.02 1 797 169 85 TYR HA H 4.254 0.02 1 798 169 85 TYR CA C 56.839 0.20 1 799 169 85 TYR N N 121.023 0.20 1 800 170 86 SER H H 8.174 0.02 1 801 170 86 SER HA H 4.360 0.02 1 802 170 86 SER HB2 H 4.770 0.02 2 803 170 86 SER HB3 H 4.720 0.02 2 804 170 86 SER CA C 58.400 0.20 1 805 170 86 SER CB C 63.900 0.20 1 806 170 86 SER N N 115.552 0.20 1 807 172 88 GLN H H 8.654 0.02 1 808 172 88 GLN HB2 H 1.609 0.02 2 809 172 88 GLN HB3 H 1.609 0.02 2 810 172 88 GLN HG2 H 1.830 0.02 2 811 172 88 GLN HG3 H 1.762 0.02 2 812 172 88 GLN HE21 H 7.215 0.02 2 813 172 88 GLN HE22 H 7.099 0.02 2 814 172 88 GLN CB C 29.100 0.20 1 815 172 88 GLN CG C 32.382 0.20 1 816 172 88 GLN N N 120.356 0.20 1 817 172 88 GLN NE2 N 111.787 0.20 1 818 173 89 ASN H H 8.340 0.02 1 819 173 89 ASN HA H 4.234 0.02 1 820 173 89 ASN HB2 H 2.742 0.02 2 821 173 89 ASN HB3 H 2.670 0.02 2 822 173 89 ASN HD21 H 7.571 0.02 2 823 173 89 ASN HD22 H 6.932 0.02 2 824 173 89 ASN CA C 56.513 0.20 1 825 173 89 ASN CB C 38.036 0.20 1 826 173 89 ASN N N 116.773 0.20 1 827 173 89 ASN ND2 N 112.743 0.20 1 828 174 90 ASN H H 8.610 0.02 1 829 174 90 ASN HA H 4.549 0.02 1 830 174 90 ASN HB2 H 3.039 0.02 2 831 174 90 ASN HB3 H 2.932 0.02 2 832 174 90 ASN HD21 H 7.093 0.02 2 833 174 90 ASN HD22 H 7.674 0.02 2 834 174 90 ASN CA C 55.945 0.20 1 835 174 90 ASN CB C 37.972 0.20 1 836 174 90 ASN N N 118.447 0.20 1 837 174 90 ASN ND2 N 112.231 0.20 1 838 175 91 PHE HD1 H 7.670 0.02 3 839 175 91 PHE HD2 H 7.670 0.02 3 840 175 91 PHE HE1 H 6.727 0.02 3 841 175 91 PHE HE2 H 6.727 0.02 3 842 175 91 PHE HZ H 7.298 0.02 1 843 175 91 PHE CD1 C 131.715 0.20 3 844 175 91 PHE CD2 C 131.713 0.20 3 845 175 91 PHE CE1 C 129.085 0.20 3 846 175 91 PHE CE2 C 129.076 0.20 3 847 175 91 PHE CZ C 133.149 0.20 1 848 176 92 VAL H H 8.924 0.02 1 849 176 92 VAL HA H 3.529 0.02 1 850 176 92 VAL HB H 2.212 0.02 1 851 176 92 VAL HG1 H 1.077 0.02 2 852 176 92 VAL HG2 H 0.957 0.02 2 853 176 92 VAL CA C 67.799 0.20 1 854 176 92 VAL CB C 32.184 0.20 1 855 176 92 VAL CG1 C 24.751 0.20 2 856 176 92 VAL CG2 C 21.722 0.20 2 857 176 92 VAL N N 120.257 0.20 1 858 177 93 HIS H H 8.309 0.02 1 859 177 93 HIS HA H 4.317 0.02 1 860 177 93 HIS HB2 H 3.381 0.02 2 861 177 93 HIS HB3 H 3.332 0.02 2 862 177 93 HIS HD2 H 7.309 0.02 1 863 177 93 HIS HE1 H 8.612 0.02 1 864 177 93 HIS CA C 59.531 0.20 1 865 177 93 HIS CB C 28.349 0.20 1 866 177 93 HIS CD2 C 119.973 0.20 1 867 177 93 HIS CE1 C 136.305 0.20 1 868 177 93 HIS N N 116.859 0.20 1 869 178 94 ASP H H 7.769 0.02 1 870 178 94 ASP HA H 4.523 0.02 1 871 178 94 ASP HB2 H 2.960 0.02 2 872 178 94 ASP HB3 H 2.821 0.02 2 873 178 94 ASP CA C 57.670 0.20 1 874 178 94 ASP CB C 41.373 0.20 1 875 178 94 ASP N N 118.696 0.20 1 876 179 95 CYS H H 8.064 0.02 1 877 179 95 CYS HA H 4.661 0.02 1 878 179 95 CYS HB2 H 3.000 0.02 2 879 179 95 CYS HB3 H 3.371 0.02 2 880 179 95 CYS CA C 58.579 0.20 1 881 179 95 CYS CB C 40.663 0.20 1 882 179 95 CYS N N 119.374 0.20 1 883 180 96 VAL H H 9.108 0.02 1 884 180 96 VAL HA H 3.676 0.02 1 885 180 96 VAL HB H 2.211 0.02 1 886 180 96 VAL HG1 H 0.883 0.02 2 887 180 96 VAL HG2 H 1.085 0.02 2 888 180 96 VAL CA C 66.375 0.20 1 889 180 96 VAL CB C 32.137 0.20 1 890 180 96 VAL CG1 C 21.224 0.20 2 891 180 96 VAL CG2 C 23.408 0.20 2 892 180 96 VAL N N 124.885 0.20 1 893 181 97 ASN H H 7.653 0.02 1 894 181 97 ASN HA H 4.313 0.02 1 895 181 97 ASN HB2 H 2.760 0.02 2 896 181 97 ASN HB3 H 2.835 0.02 2 897 181 97 ASN HD21 H 6.744 0.02 2 898 181 97 ASN HD22 H 7.608 0.02 2 899 181 97 ASN CA C 56.517 0.20 1 900 181 97 ASN CB C 38.805 0.20 1 901 181 97 ASN N N 116.341 0.20 1 902 181 97 ASN ND2 N 112.006 0.20 1 903 182 98 ILE H H 8.725 0.02 1 904 182 98 ILE HA H 3.770 0.02 1 905 182 98 ILE HB H 1.547 0.02 1 906 182 98 ILE HG12 H 0.764 0.02 2 907 182 98 ILE HG13 H 0.883 0.02 2 908 182 98 ILE HG2 H 0.298 0.02 1 909 182 98 ILE HD1 H 0.408 0.02 1 910 182 98 ILE CA C 62.294 0.20 1 911 182 98 ILE CB C 36.868 0.20 1 912 182 98 ILE CG1 C 27.801 0.20 1 913 182 98 ILE CG2 C 18.699 0.20 1 914 182 98 ILE CD1 C 11.930 0.20 1 915 182 98 ILE N N 118.794 0.20 1 916 183 99 THR H H 8.136 0.02 1 917 183 99 THR HA H 4.060 0.02 1 918 183 99 THR HB H 4.495 0.02 1 919 183 99 THR HG2 H 1.516 0.02 1 920 183 99 THR CA C 68.958 0.20 1 921 183 99 THR CB C 68.113 0.20 1 922 183 99 THR CG2 C 22.238 0.20 1 923 183 99 THR N N 118.418 0.20 1 924 184 100 ILE H H 8.648 0.02 1 925 184 100 ILE HA H 3.675 0.02 1 926 184 100 ILE HB H 1.942 0.02 1 927 184 100 ILE HG12 H 1.528 0.02 2 928 184 100 ILE HG13 H 1.820 0.02 2 929 184 100 ILE HG2 H 0.921 0.02 1 930 184 100 ILE HD1 H 0.802 0.02 1 931 184 100 ILE CA C 66.416 0.20 1 932 184 100 ILE CB C 37.714 0.20 1 933 184 100 ILE CG1 C 30.753 0.20 1 934 184 100 ILE CG2 C 16.972 0.20 1 935 184 100 ILE CD1 C 14.236 0.20 1 936 184 100 ILE N N 121.653 0.20 1 937 185 101 LYS H H 7.844 0.02 1 938 185 101 LYS HA H 4.038 0.02 1 939 185 101 LYS HB2 H 1.895 0.02 2 940 185 101 LYS HB3 H 1.895 0.02 2 941 185 101 LYS HG2 H 1.450 0.02 2 942 185 101 LYS HG3 H 1.357 0.02 2 943 185 101 LYS HD2 H 1.603 0.02 2 944 185 101 LYS HD3 H 1.657 0.02 2 945 185 101 LYS HE2 H 2.967 0.02 2 946 185 101 LYS HE3 H 2.905 0.02 2 947 185 101 LYS CA C 59.940 0.20 1 948 185 101 LYS CB C 32.239 0.20 1 949 185 101 LYS CG C 24.723 0.20 1 950 185 101 LYS CD C 29.020 0.20 1 951 185 101 LYS CE C 41.900 0.20 1 952 185 101 LYS N N 122.998 0.20 1 953 187 103 HIS H H 8.291 0.02 1 954 187 103 HIS HA H 4.606 0.02 1 955 187 103 HIS HB2 H 3.269 0.02 2 956 187 103 HIS HB3 H 3.227 0.02 2 957 187 103 HIS HD2 H 7.219 0.02 1 958 187 103 HIS CA C 58.999 0.20 1 959 187 103 HIS CB C 30.941 0.20 1 960 187 103 HIS CD2 C 120.058 0.20 1 961 187 103 HIS N N 118.510 0.20 1 962 188 104 THR H H 8.216 0.02 1 963 188 104 THR HA H 3.991 0.02 1 964 188 104 THR HB H 4.159 0.02 1 965 188 104 THR HG2 H 1.253 0.02 1 966 188 104 THR CA C 65.422 0.20 1 967 188 104 THR CB C 69.112 0.20 1 968 188 104 THR CG2 C 21.135 0.20 1 969 188 104 THR N N 113.634 0.20 1 970 189 105 VAL H H 7.994 0.02 1 971 189 105 VAL HA H 3.993 0.02 1 972 189 105 VAL HB H 2.212 0.02 1 973 189 105 VAL HG1 H 1.029 0.02 2 974 189 105 VAL HG2 H 0.957 0.02 2 975 189 105 VAL CA C 65.187 0.20 1 976 189 105 VAL CB C 32.220 0.20 1 977 189 105 VAL CG1 C 21.688 0.20 2 978 189 105 VAL CG2 C 21.038 0.20 2 979 189 105 VAL N N 122.245 0.20 1 980 190 106 THR H H 8.094 0.02 1 981 190 106 THR HA H 4.213 0.02 1 982 190 106 THR HB H 4.269 0.02 1 983 190 106 THR HG2 H 1.276 0.02 1 984 190 106 THR CA C 64.338 0.20 1 985 190 106 THR CB C 69.331 0.20 1 986 190 106 THR CG2 C 21.727 0.20 1 987 190 106 THR N N 115.242 0.20 1 988 191 107 THR H H 7.998 0.02 1 989 191 107 THR HA H 4.189 0.02 1 990 191 107 THR HB H 4.267 0.02 1 991 191 107 THR HG2 H 0.925 0.02 1 992 191 107 THR CA C 64.196 0.20 1 993 191 107 THR CB C 69.248 0.20 1 994 191 107 THR CG2 C 19.283 0.20 1 995 191 107 THR N N 114.733 0.20 1 996 192 108 THR H H 8.166 0.02 1 997 192 108 THR HA H 4.381 0.02 1 998 192 108 THR HB H 4.356 0.02 1 999 192 108 THR HG2 H 1.294 0.02 1 1000 192 108 THR CA C 64.356 0.20 1 1001 192 108 THR CB C 69.230 0.20 1 1002 192 108 THR CG2 C 21.602 0.20 1 1003 192 108 THR N N 117.067 0.20 1 1004 193 109 THR H H 7.882 0.02 1 1005 193 109 THR HA H 4.229 0.02 1 1006 193 109 THR HB H 4.295 0.02 1 1007 193 109 THR HG2 H 1.231 0.02 1 1008 193 109 THR CA C 63.993 0.20 1 1009 193 109 THR CB C 69.233 0.20 1 1010 193 109 THR CG2 C 22.102 0.20 1 1011 193 109 THR N N 116.098 0.20 1 1012 194 110 LYS H H 7.708 0.02 1 1013 194 110 LYS HA H 4.341 0.02 1 1014 194 110 LYS HB2 H 1.817 0.02 2 1015 194 110 LYS HB3 H 1.978 0.02 2 1016 194 110 LYS HG2 H 1.454 0.02 2 1017 194 110 LYS HG3 H 1.502 0.02 2 1018 194 110 LYS HD2 H 1.659 0.02 2 1019 194 110 LYS HD3 H 1.659 0.02 2 1020 194 110 LYS HE2 H 2.967 0.02 2 1021 194 110 LYS HE3 H 2.905 0.02 2 1022 194 110 LYS CA C 56.386 0.20 1 1023 194 110 LYS CB C 32.701 0.20 1 1024 194 110 LYS CG C 25.000 0.20 1 1025 194 110 LYS CD C 29.100 0.20 1 1026 194 110 LYS CE C 41.910 0.20 1 1027 194 110 LYS N N 120.617 0.20 1 1028 195 111 GLY H H 8.026 0.02 1 1029 195 111 GLY HA2 H 4.074 0.02 2 1030 195 111 GLY HA3 H 3.842 0.02 2 1031 195 111 GLY CA C 45.454 0.20 1 1032 195 111 GLY N N 108.539 0.20 1 1033 196 112 GLU H H 7.599 0.02 1 1034 196 112 GLU HA H 4.238 0.02 1 1035 196 112 GLU HB2 H 1.607 0.02 2 1036 196 112 GLU HB3 H 1.607 0.02 2 1037 196 112 GLU HG2 H 2.011 0.02 2 1038 196 112 GLU HG3 H 2.087 0.02 2 1039 196 112 GLU CA C 55.820 0.20 1 1040 196 112 GLU CB C 31.008 0.20 1 1041 196 112 GLU CG C 35.919 0.20 1 1042 196 112 GLU N N 120.050 0.20 1 1043 197 113 ASN H H 8.425 0.02 1 1044 197 113 ASN HA H 4.655 0.02 1 1045 197 113 ASN HB2 H 2.602 0.02 2 1046 197 113 ASN HB3 H 2.668 0.02 2 1047 197 113 ASN HD21 H 7.514 0.02 2 1048 197 113 ASN HD22 H 6.791 0.02 2 1049 197 113 ASN CA C 52.794 0.20 1 1050 197 113 ASN CB C 40.381 0.20 1 1051 197 113 ASN N N 119.440 0.20 1 1052 197 113 ASN ND2 N 113.093 0.20 1 1053 198 114 PHE H H 8.628 0.02 1 1054 198 114 PHE HA H 5.284 0.02 1 1055 198 114 PHE HB2 H 2.953 0.02 2 1056 198 114 PHE HB3 H 3.158 0.02 2 1057 198 114 PHE HD1 H 7.342 0.02 3 1058 198 114 PHE HD2 H 7.342 0.02 3 1059 198 114 PHE HE1 H 7.459 0.02 3 1060 198 114 PHE HE2 H 7.459 0.02 3 1061 198 114 PHE HZ H 7.329 0.02 1 1062 198 114 PHE CA C 56.758 0.20 1 1063 198 114 PHE CB C 40.128 0.20 1 1064 198 114 PHE CD1 C 131.514 0.20 3 1065 198 114 PHE CD2 C 131.514 0.20 3 1066 198 114 PHE CE1 C 130.054 0.20 3 1067 198 114 PHE CE2 C 130.054 0.20 3 1068 198 114 PHE CZ C 132.027 0.20 1 1069 198 114 PHE N N 121.719 0.20 1 1070 199 115 THR H H 9.520 0.02 1 1071 199 115 THR HA H 4.629 0.02 1 1072 199 115 THR HB H 4.829 0.02 1 1073 199 115 THR HG2 H 1.425 0.02 1 1074 199 115 THR CA C 60.470 0.20 1 1075 199 115 THR CB C 72.156 0.20 1 1076 199 115 THR CG2 C 21.737 0.20 1 1077 199 115 THR N N 115.920 0.20 1 1078 200 116 GLU H H 9.112 0.02 1 1079 200 116 GLU HA H 4.066 0.02 1 1080 200 116 GLU HB2 H 2.136 0.02 2 1081 200 116 GLU HB3 H 2.058 0.02 2 1082 200 116 GLU HG2 H 2.331 0.02 2 1083 200 116 GLU HG3 H 2.404 0.02 2 1084 200 116 GLU CA C 59.942 0.20 1 1085 200 116 GLU CB C 28.896 0.20 1 1086 200 116 GLU CG C 36.217 0.20 1 1087 200 116 GLU N N 119.964 0.20 1 1088 201 117 THR H H 7.913 0.02 1 1089 201 117 THR HA H 3.795 0.02 1 1090 201 117 THR HB H 3.705 0.02 1 1091 201 117 THR HG2 H 0.690 0.02 1 1092 201 117 THR CA C 66.806 0.20 1 1093 201 117 THR CB C 68.710 0.20 1 1094 201 117 THR CG2 C 21.070 0.20 1 1095 201 117 THR N N 116.156 0.20 1 1096 202 118 ASP H H 7.475 0.02 1 1097 202 118 ASP HA H 4.585 0.02 1 1098 202 118 ASP HB2 H 3.346 0.02 2 1099 202 118 ASP HB3 H 2.634 0.02 2 1100 202 118 ASP CA C 58.007 0.20 1 1101 202 118 ASP CB C 41.647 0.20 1 1102 202 118 ASP N N 120.044 0.20 1 1103 203 119 VAL H H 8.187 0.02 1 1104 203 119 VAL HA H 3.309 0.02 1 1105 203 119 VAL HB H 2.101 0.02 1 1106 203 119 VAL HG1 H 0.979 0.02 2 1107 203 119 VAL HG2 H 0.956 0.02 2 1108 203 119 VAL CA C 67.786 0.20 1 1109 203 119 VAL CB C 31.636 0.20 1 1110 203 119 VAL CG1 C 22.846 0.20 2 1111 203 119 VAL CG2 C 21.202 0.20 2 1112 203 119 VAL N N 119.560 0.20 1 1113 204 120 LYS H H 7.712 0.02 1 1114 204 120 LYS HA H 4.079 0.02 1 1115 204 120 LYS HB2 H 1.966 0.02 2 1116 204 120 LYS HB3 H 1.900 0.02 2 1117 204 120 LYS HG2 H 1.450 0.02 2 1118 204 120 LYS HG3 H 1.502 0.02 2 1119 204 120 LYS HD2 H 1.665 0.02 2 1120 204 120 LYS HD3 H 1.665 0.02 2 1121 204 120 LYS HE2 H 2.965 0.02 2 1122 204 120 LYS HE3 H 2.905 0.02 2 1123 204 120 LYS CA C 59.283 0.20 1 1124 204 120 LYS CB C 32.133 0.20 1 1125 204 120 LYS CG C 25.021 0.20 1 1126 204 120 LYS CD C 29.053 0.20 1 1127 204 120 LYS CE C 41.949 0.20 1 1128 204 120 LYS N N 119.069 0.20 1 1129 205 121 MET H H 8.156 0.02 1 1130 205 121 MET HA H 4.165 0.02 1 1131 205 121 MET HB2 H 1.965 0.02 2 1132 205 121 MET HB3 H 2.153 0.02 2 1133 205 121 MET HG2 H 2.360 0.02 2 1134 205 121 MET HG3 H 2.929 0.02 2 1135 205 121 MET HE H 1.491 0.02 1 1136 205 121 MET CA C 60.021 0.20 1 1137 205 121 MET CB C 32.775 0.20 1 1138 205 121 MET CG C 34.124 0.20 1 1139 205 121 MET CE C 18.249 0.20 1 1140 205 121 MET N N 118.536 0.20 1 1141 206 122 MET H H 8.715 0.02 1 1142 206 122 MET HA H 3.558 0.02 1 1143 206 122 MET HB2 H 2.148 0.02 2 1144 206 122 MET HB3 H 1.509 0.02 2 1145 206 122 MET HG2 H 1.626 0.02 2 1146 206 122 MET HG3 H 1.953 0.02 2 1147 206 122 MET HE H 1.307 0.02 1 1148 206 122 MET CA C 59.987 0.20 1 1149 206 122 MET CB C 33.418 0.20 1 1150 206 122 MET CG C 33.136 0.20 1 1151 206 122 MET CE C 15.993 0.20 1 1152 206 122 MET N N 118.192 0.20 1 1153 207 123 GLU H H 8.445 0.02 1 1154 207 123 GLU HA H 3.662 0.02 1 1155 207 123 GLU HB2 H 2.059 0.02 2 1156 207 123 GLU HB3 H 2.132 0.02 2 1157 207 123 GLU HG2 H 2.525 0.02 2 1158 207 123 GLU HG3 H 2.525 0.02 2 1159 207 123 GLU CA C 60.789 0.20 1 1160 207 123 GLU CB C 29.026 0.20 1 1161 207 123 GLU CG C 35.996 0.20 1 1162 207 123 GLU N N 118.792 0.20 1 1163 208 124 ARG H H 7.240 0.02 1 1164 208 124 ARG HA H 4.216 0.02 1 1165 208 124 ARG HB2 H 1.953 0.02 2 1166 208 124 ARG HB3 H 2.076 0.02 2 1167 208 124 ARG HG2 H 1.841 0.02 2 1168 208 124 ARG HG3 H 1.761 0.02 2 1169 208 124 ARG HD2 H 3.158 0.02 2 1170 208 124 ARG HD3 H 3.254 0.02 2 1171 208 124 ARG CA C 58.463 0.20 1 1172 208 124 ARG CB C 30.010 0.20 1 1173 208 124 ARG CG C 26.943 0.20 1 1174 208 124 ARG CD C 42.636 0.20 1 1175 208 124 ARG N N 116.617 0.20 1 1176 209 125 VAL H H 8.249 0.02 1 1177 209 125 VAL HA H 3.775 0.02 1 1178 209 125 VAL HB H 1.891 0.02 1 1179 209 125 VAL HG1 H 1.313 0.02 2 1180 209 125 VAL HG2 H 0.957 0.02 2 1181 209 125 VAL CA C 66.071 0.20 1 1182 209 125 VAL CB C 32.287 0.20 1 1183 209 125 VAL CG1 C 24.119 0.20 2 1184 209 125 VAL CG2 C 21.152 0.20 2 1185 209 125 VAL N N 119.315 0.20 1 1186 210 126 ILE H H 9.037 0.02 1 1187 210 126 ILE HA H 3.689 0.02 1 1188 210 126 ILE HB H 2.015 0.02 1 1189 210 126 ILE HG12 H 1.747 0.02 2 1190 210 126 ILE HG13 H 0.961 0.02 2 1191 210 126 ILE HG2 H 1.189 0.02 1 1192 210 126 ILE HD1 H 0.723 0.02 1 1193 210 126 ILE CA C 64.847 0.20 1 1194 210 126 ILE CB C 37.104 0.20 1 1195 210 126 ILE CG1 C 30.122 0.20 1 1196 210 126 ILE CG2 C 20.624 0.20 1 1197 210 126 ILE CD1 C 14.471 0.20 1 1198 210 126 ILE N N 121.172 0.20 1 1199 211 127 GLU H H 7.975 0.02 1 1200 211 127 GLU HA H 3.590 0.02 1 1201 211 127 GLU HB2 H 2.063 0.02 2 1202 211 127 GLU HB3 H 2.168 0.02 2 1203 211 127 GLU HG2 H 2.143 0.02 2 1204 211 127 GLU HG3 H 2.088 0.02 2 1205 211 127 GLU CA C 61.193 0.20 1 1206 211 127 GLU CB C 29.283 0.20 1 1207 211 127 GLU CG C 36.053 0.20 1 1208 211 127 GLU N N 120.604 0.20 1 1209 212 128 GLN H H 7.147 0.02 1 1210 212 128 GLN HA H 3.690 0.02 1 1211 212 128 GLN HB2 H 2.113 0.02 2 1212 212 128 GLN HB3 H 2.113 0.02 2 1213 212 128 GLN HG2 H 2.392 0.02 2 1214 212 128 GLN HG3 H 2.452 0.02 2 1215 212 128 GLN HE21 H 6.870 0.02 2 1216 212 128 GLN HE22 H 7.559 0.02 2 1217 212 128 GLN CA C 58.882 0.20 1 1218 212 128 GLN CB C 28.236 0.20 1 1219 212 128 GLN CG C 33.806 0.20 1 1220 212 128 GLN N N 114.684 0.20 1 1221 212 128 GLN NE2 N 113.391 0.20 1 1222 213 129 MET H H 8.199 0.02 1 1223 213 129 MET HA H 4.166 0.02 1 1224 213 129 MET HB2 H 1.969 0.02 2 1225 213 129 MET HB3 H 2.072 0.02 2 1226 213 129 MET HG2 H 2.212 0.02 2 1227 213 129 MET HG3 H 2.284 0.02 2 1228 213 129 MET HE H 1.885 0.02 1 1229 213 129 MET CA C 59.969 0.20 1 1230 213 129 MET CB C 32.501 0.20 1 1231 213 129 MET CG C 32.212 0.20 1 1232 213 129 MET CE C 16.578 0.20 1 1233 213 129 MET N N 119.536 0.20 1 1234 214 130 CYS H H 9.255 0.02 1 1235 214 130 CYS HA H 4.416 0.02 1 1236 214 130 CYS HB2 H 3.542 0.02 2 1237 214 130 CYS HB3 H 2.905 0.02 2 1238 214 130 CYS CA C 59.938 0.20 1 1239 214 130 CYS CB C 41.908 0.20 1 1240 214 130 CYS N N 119.433 0.20 1 1241 215 131 ILE H H 8.275 0.02 1 1242 215 131 ILE HA H 3.579 0.02 1 1243 215 131 ILE HB H 2.034 0.02 1 1244 215 131 ILE HG12 H 1.025 0.02 2 1245 215 131 ILE HG13 H 1.047 0.02 2 1246 215 131 ILE HG2 H 0.897 0.02 1 1247 215 131 ILE HD1 H 0.845 0.02 1 1248 215 131 ILE CA C 66.796 0.20 1 1249 215 131 ILE CB C 38.144 0.20 1 1250 215 131 ILE CG1 C 30.750 0.20 1 1251 215 131 ILE CG2 C 17.243 0.20 1 1252 215 131 ILE CD1 C 14.086 0.20 1 1253 215 131 ILE N N 123.918 0.20 1 1254 216 132 THR H H 8.071 0.02 1 1255 216 132 THR HA H 3.964 0.02 1 1256 216 132 THR HB H 4.319 0.02 1 1257 216 132 THR HG2 H 1.238 0.02 1 1258 216 132 THR CA C 67.181 0.20 1 1259 216 132 THR CB C 68.259 0.20 1 1260 216 132 THR CG2 C 21.453 0.20 1 1261 216 132 THR N N 118.680 0.20 1 1262 217 133 GLN H H 8.735 0.02 1 1263 217 133 GLN HA H 3.638 0.02 1 1264 217 133 GLN HB2 H 2.095 0.02 2 1265 217 133 GLN HB3 H 2.127 0.02 2 1266 217 133 GLN HG2 H 2.282 0.02 2 1267 217 133 GLN HG3 H 2.346 0.02 2 1268 217 133 GLN HE21 H 7.269 0.02 2 1269 217 133 GLN HE22 H 6.865 0.02 2 1270 217 133 GLN CA C 58.731 0.20 1 1271 217 133 GLN CB C 28.256 0.20 1 1272 217 133 GLN CG C 32.655 0.20 1 1273 217 133 GLN N N 122.294 0.20 1 1274 217 133 GLN NE2 N 115.906 0.20 1 1275 218 134 TYR H H 8.572 0.02 1 1276 218 134 TYR HA H 2.965 0.02 1 1277 218 134 TYR HB2 H 3.118 0.02 2 1278 218 134 TYR HB3 H 2.747 0.02 2 1279 218 134 TYR HD1 H 6.239 0.02 3 1280 218 134 TYR HD2 H 6.239 0.02 3 1281 218 134 TYR HE1 H 6.553 0.02 3 1282 218 134 TYR HE2 H 6.553 0.02 3 1283 218 134 TYR CA C 62.140 0.20 1 1284 218 134 TYR CB C 37.090 0.20 1 1285 218 134 TYR CD1 C 132.610 0.20 3 1286 218 134 TYR CD2 C 132.610 0.20 3 1287 218 134 TYR CE1 C 117.785 0.20 3 1288 218 134 TYR CE2 C 117.785 0.20 3 1289 218 134 TYR N N 121.449 0.20 1 1290 219 135 GLU H H 8.263 0.02 1 1291 219 135 GLU HA H 3.708 0.02 1 1292 219 135 GLU HB2 H 2.350 0.02 2 1293 219 135 GLU HB3 H 2.056 0.02 2 1294 219 135 GLU HG2 H 2.330 0.02 2 1295 219 135 GLU HG3 H 2.602 0.02 2 1296 219 135 GLU CA C 59.798 0.20 1 1297 219 135 GLU CB C 28.667 0.20 1 1298 219 135 GLU CG C 35.781 0.20 1 1299 219 135 GLU N N 121.232 0.20 1 1300 220 136 ARG H H 7.908 0.02 1 1301 220 136 ARG HA H 3.980 0.02 1 1302 220 136 ARG HB2 H 1.832 0.02 2 1303 220 136 ARG HB3 H 1.803 0.02 2 1304 220 136 ARG HG2 H 1.618 0.02 2 1305 220 136 ARG HG3 H 1.618 0.02 2 1306 220 136 ARG HD2 H 2.914 0.02 2 1307 220 136 ARG HD3 H 2.882 0.02 2 1308 220 136 ARG CA C 59.240 0.20 1 1309 220 136 ARG CB C 30.659 0.20 1 1310 220 136 ARG CG C 27.195 0.20 1 1311 220 136 ARG CD C 43.293 0.20 1 1312 220 136 ARG N N 119.081 0.20 1 1313 221 137 GLU H H 8.440 0.02 1 1314 221 137 GLU HA H 4.023 0.02 1 1315 221 137 GLU HB2 H 2.157 0.02 2 1316 221 137 GLU HB3 H 1.952 0.02 2 1317 221 137 GLU HG2 H 2.417 0.02 2 1318 221 137 GLU HG3 H 2.200 0.02 2 1319 221 137 GLU CA C 57.895 0.20 1 1320 221 137 GLU CB C 29.090 0.20 1 1321 221 137 GLU CG C 36.600 0.20 1 1322 221 137 GLU N N 119.257 0.20 1 1323 222 138 SER H H 8.458 0.02 1 1324 222 138 SER HA H 3.896 0.02 1 1325 222 138 SER HB2 H 3.607 0.02 2 1326 222 138 SER HB3 H 3.381 0.02 2 1327 222 138 SER CA C 61.378 0.20 1 1328 222 138 SER CB C 62.508 0.20 1 1329 222 138 SER N N 115.812 0.20 1 1330 223 139 GLN H H 7.586 0.02 1 1331 223 139 GLN HA H 4.116 0.02 1 1332 223 139 GLN HB2 H 2.110 0.02 2 1333 223 139 GLN HB3 H 2.110 0.02 2 1334 223 139 GLN HG2 H 2.361 0.02 2 1335 223 139 GLN HG3 H 2.500 0.02 2 1336 223 139 GLN HE21 H 7.471 0.02 2 1337 223 139 GLN HE22 H 6.783 0.02 2 1338 223 139 GLN CA C 58.305 0.20 1 1339 223 139 GLN CB C 28.281 0.20 1 1340 223 139 GLN CG C 33.937 0.20 1 1341 223 139 GLN N N 120.340 0.20 1 1342 223 139 GLN NE2 N 111.759 0.20 1 1343 224 140 ALA H H 7.486 0.02 1 1344 224 140 ALA HA H 4.168 0.02 1 1345 224 140 ALA HB H 1.416 0.02 1 1346 224 140 ALA CA C 54.095 0.20 1 1347 224 140 ALA CB C 18.501 0.20 1 1348 224 140 ALA N N 120.710 0.20 1 1349 225 141 TYR HD1 H 6.667 0.02 3 1350 225 141 TYR HD2 H 6.667 0.02 3 1351 225 141 TYR CD1 C 133.135 0.20 3 1352 225 141 TYR CD2 C 133.135 0.20 3 1353 226 142 TYR H H 7.962 0.02 1 1354 226 142 TYR HA H 4.361 0.02 1 1355 226 142 TYR HB2 H 3.163 0.02 2 1356 226 142 TYR HB3 H 2.933 0.02 2 1357 226 142 TYR HD1 H 7.205 0.02 3 1358 226 142 TYR HD2 H 7.205 0.02 3 1359 226 142 TYR HE1 H 7.095 0.02 3 1360 226 142 TYR HE2 H 7.095 0.02 3 1361 226 142 TYR CA C 59.353 0.20 1 1362 226 142 TYR CB C 38.091 0.20 1 1363 226 142 TYR CD1 C 133.321 0.20 3 1364 226 142 TYR CD2 C 133.321 0.20 3 1365 226 142 TYR CE1 C 118.314 0.20 3 1366 226 142 TYR CE2 C 118.314 0.20 3 1367 226 142 TYR N N 117.916 0.20 1 1368 227 143 GLN H H 7.845 0.02 1 1369 227 143 GLN HA H 4.233 0.02 1 1370 227 143 GLN HB2 H 2.057 0.02 2 1371 227 143 GLN HB3 H 2.140 0.02 2 1372 227 143 GLN HG2 H 2.403 0.02 2 1373 227 143 GLN HG3 H 2.331 0.02 2 1374 227 143 GLN HE21 H 7.449 0.02 2 1375 227 143 GLN HE22 H 6.806 0.02 2 1376 227 143 GLN CA C 56.481 0.20 1 1377 227 143 GLN CB C 28.830 0.20 1 1378 227 143 GLN CG C 33.989 0.20 1 1379 227 143 GLN N N 119.353 0.20 1 1380 227 143 GLN NE2 N 111.904 0.20 1 1381 228 144 ARG H H 7.916 0.02 1 1382 228 144 ARG HA H 4.210 0.02 1 1383 228 144 ARG HB2 H 1.817 0.02 2 1384 228 144 ARG HB3 H 1.817 0.02 2 1385 228 144 ARG HG2 H 1.616 0.02 2 1386 228 144 ARG HG3 H 1.687 0.02 2 1387 228 144 ARG HD2 H 3.207 0.02 2 1388 228 144 ARG HD3 H 3.128 0.02 2 1389 228 144 ARG CA C 56.870 0.20 1 1390 228 144 ARG CB C 30.698 0.20 1 1391 228 144 ARG CG C 27.224 0.20 1 1392 228 144 ARG CD C 43.569 0.20 1 1393 228 144 ARG N N 120.687 0.20 1 1394 229 145 GLY H H 8.225 0.02 1 1395 229 145 GLY HA2 H 3.979 0.02 2 1396 229 145 GLY HA3 H 3.979 0.02 2 1397 229 145 GLY CA C 45.379 0.20 1 1398 229 145 GLY N N 109.167 0.20 1 1399 230 146 SER H H 8.111 0.02 1 1400 230 146 SER HA H 4.492 0.02 1 1401 230 146 SER HB2 H 3.870 0.02 2 1402 230 146 SER HB3 H 3.870 0.02 2 1403 230 146 SER CA C 58.266 0.20 1 1404 230 146 SER CB C 64.051 0.20 1 1405 230 146 SER N N 115.696 0.20 1 1406 231 147 SER H H 7.983 0.02 1 1407 231 147 SER HA H 4.296 0.02 1 1408 231 147 SER HB2 H 3.856 0.02 2 1409 231 147 SER HB3 H 3.856 0.02 2 1410 231 147 SER CA C 60.086 0.20 1 1411 231 147 SER CB C 64.840 0.20 1 1412 231 147 SER N N 122.862 0.20 1 stop_ save_