data_19268 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; SOLUTION NMR STRUCTURE OF THE V209M VARIANT OF THE HUMAN PRION PROTEIN (RESIDUES 90-231) ; _BMRB_accession_number 19268 _BMRB_flat_file_name bmr19268.str _Entry_type original _Submission_date 2013-05-28 _Accession_date 2013-05-28 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'SOLUTION NMR STRUCTURE OF THE V209M VARIANT OF THE HUMAN PRION PROTEIN' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Mills J. L. . 2 Surewicz K. . . 3 Surewicz W. . . 4 Soennichsen F. D. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 800 "13C chemical shifts" 425 "15N chemical shifts" 160 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2013-09-10 original author . stop_ _Original_release_date 2013-09-10 save_ ############################# # Citation for this entry # ############################# save_citations _Saveframe_category entry_citation _Citation_full . _Citation_title 'Thermodynamic Stabilization of the Folded Domain of Prion Protein Inhibits Prion Infection in Vivo' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 23871665 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Kong Qingzhong . . 2 Mills Jeffrey L. . 3 Kundu Bishwajit . . 4 Li Xinyi . . 5 Qing Liuting . . 6 Surewicz Krystyna . . 7 Cali Ignazio . . 8 Huang Shenghai . . 9 Zheng Mengjie . . 10 Swietnicki Wieslaw . . 11 Soennichsen Frank D. . 12 Gambetti Pierluigi . . 13 Surewicz Witold K. . stop_ _Journal_abbreviation 'Cell Rep.' _Journal_volume 4 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 248 _Page_last 254 _Year 2013 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name HuPRP _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'MAJOR PRION PROTEIN' $MAJOR_PRION_PROTEIN 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_MAJOR_PRION_PROTEIN _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common MAJOR_PRION_PROTEIN _Molecular_mass 16557.500 _Mol_thiol_state 'all disulfide bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 146 _Mol_residue_sequence ; GSDPGQGGGTHSQWNKPSKP KTNMKHMAGAAAAGAVVGGL GGYMLGSAMSRPIIHFGSDY EDRYYRENMHRYPNQVYYRP MDEYSNQNNFVHDCVNITIK QHTVTTTTKGENFTETDVKM MERMVEQMCITQYERESQAY YQRGSS ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 86 GLY 2 87 SER 3 88 ASP 4 89 PRO 5 90 GLY 6 91 GLN 7 92 GLY 8 93 GLY 9 94 GLY 10 95 THR 11 96 HIS 12 97 SER 13 98 GLN 14 99 TRP 15 100 ASN 16 101 LYS 17 102 PRO 18 103 SER 19 104 LYS 20 105 PRO 21 106 LYS 22 107 THR 23 108 ASN 24 109 MET 25 110 LYS 26 111 HIS 27 112 MET 28 113 ALA 29 114 GLY 30 115 ALA 31 116 ALA 32 117 ALA 33 118 ALA 34 119 GLY 35 120 ALA 36 121 VAL 37 122 VAL 38 123 GLY 39 124 GLY 40 125 LEU 41 126 GLY 42 127 GLY 43 128 TYR 44 129 MET 45 130 LEU 46 131 GLY 47 132 SER 48 133 ALA 49 134 MET 50 135 SER 51 136 ARG 52 137 PRO 53 138 ILE 54 139 ILE 55 140 HIS 56 141 PHE 57 142 GLY 58 143 SER 59 144 ASP 60 145 TYR 61 146 GLU 62 147 ASP 63 148 ARG 64 149 TYR 65 150 TYR 66 151 ARG 67 152 GLU 68 153 ASN 69 154 MET 70 155 HIS 71 156 ARG 72 157 TYR 73 158 PRO 74 159 ASN 75 160 GLN 76 161 VAL 77 162 TYR 78 163 TYR 79 164 ARG 80 165 PRO 81 166 MET 82 167 ASP 83 168 GLU 84 169 TYR 85 170 SER 86 171 ASN 87 172 GLN 88 173 ASN 89 174 ASN 90 175 PHE 91 176 VAL 92 177 HIS 93 178 ASP 94 179 CYS 95 180 VAL 96 181 ASN 97 182 ILE 98 183 THR 99 184 ILE 100 185 LYS 101 186 GLN 102 187 HIS 103 188 THR 104 189 VAL 105 190 THR 106 191 THR 107 192 THR 108 193 THR 109 194 LYS 110 195 GLY 111 196 GLU 112 197 ASN 113 198 PHE 114 199 THR 115 200 GLU 116 201 THR 117 202 ASP 118 203 VAL 119 204 LYS 120 205 MET 121 206 MET 122 207 GLU 123 208 ARG 124 209 MET 125 210 VAL 126 211 GLU 127 212 GLN 128 213 MET 129 214 CYS 130 215 ILE 131 216 THR 132 217 GLN 133 218 TYR 134 219 GLU 135 220 ARG 136 221 GLU 137 222 SER 138 223 GLN 139 224 ALA 140 225 TYR 141 226 TYR 142 227 GLN 143 228 ARG 144 229 GLY 145 230 SER 146 231 SER stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-11-04 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value BMRB 15676 V129/D178N_prion_protein 100.00 146 97.95 100.00 3.87e-103 BMRB 16743 "HuPrP(90-231 M129 Q212P)" 97.26 148 98.59 99.30 1.07e-99 BMRB 16757 PrP^(91-231) 99.32 145 97.24 100.00 8.70e-102 BMRB 17714 HuPrP 98.63 147 98.61 100.00 6.91e-103 BMRB 17756 hPrP(121-230) 75.34 113 99.09 100.00 7.70e-75 BMRB 17757 hPrP(121-230) 75.34 113 97.27 98.18 5.17e-72 BMRB 17780 Hpp_E219K 97.26 142 98.59 100.00 1.36e-100 BMRB 18426 entity 97.26 142 99.30 100.00 3.76e-101 BMRB 18550 V210I 98.63 147 98.61 100.00 6.91e-103 BMRB 4379 "human prion protein" 76.71 112 98.21 100.00 3.88e-76 BMRB 4402 "human prion protein" 99.32 210 97.24 97.93 4.63e-99 BMRB 4434 "human prion protein" 96.58 143 99.29 100.00 2.02e-100 BMRB 4620 "prion protein" 76.71 112 97.32 100.00 1.01e-75 BMRB 4641 "PRION PROTEIN" 100.00 146 98.63 100.00 6.81e-104 BMRB 4736 "human prion protein" 76.71 112 97.32 100.00 1.66e-75 PDB 1E1G "Human Prion Protein Variant M166v" 70.55 104 98.06 100.00 3.79e-69 PDB 1E1J "Human Prion Protein Variant M166v" 70.55 104 98.06 100.00 3.79e-69 PDB 1E1P "Human Prion Protein Variant S170n" 70.55 104 98.06 100.00 3.63e-69 PDB 1E1S "Human Prion Protein Variant S170n" 70.55 104 98.06 100.00 3.63e-69 PDB 1E1U "Human Prion Protein Variant R220k" 70.55 104 98.06 100.00 2.25e-69 PDB 1E1W "Human Prion Protein Variant R220k" 70.55 104 98.06 100.00 2.25e-69 PDB 1FKC "Human Prion Protein (Mutant E200k) Fragment 90-231" 97.26 142 98.59 100.00 1.36e-100 PDB 1FO7 "Human Prion Protein Mutant E200k Fragment 90-231" 97.26 142 98.59 100.00 1.36e-100 PDB 1HJM "Human Prion Protein At Ph 7.0" 70.55 104 99.03 100.00 8.15e-70 PDB 1HJN "Human Prion Protein At Ph 7.0" 70.55 104 99.03 100.00 8.15e-70 PDB 1I4M "Crystal Structure Of The Human Prion Protein Reveals A Mechanism For Oligomerization" 73.97 108 99.07 100.00 1.15e-73 PDB 1QLX "Human Prion Protein" 99.32 210 97.24 97.93 4.63e-99 PDB 1QLZ "Human Prion Protein" 99.32 210 97.24 97.93 4.63e-99 PDB 1QM0 "Human Prion Protein Fragment 90-230" 96.58 143 99.29 100.00 2.02e-100 PDB 1QM1 "Human Prion Protein Fragment 90-230" 96.58 143 99.29 100.00 2.02e-100 PDB 1QM2 "Human Prion Protein Fragment 121-230" 76.71 112 98.21 100.00 3.88e-76 PDB 1QM3 "Human Prion Protein Fragment 121-230" 76.71 112 98.21 100.00 3.88e-76 PDB 2K1D "Nmr Studies Of A Pathogenic Mutant (d178n) Of The Human Prion Protein" 100.00 146 97.95 100.00 3.87e-103 PDB 2KUN "Three Dimensional Structure Of Huprp(90-231 M129 Q212p)" 97.26 148 98.59 99.30 1.07e-99 PDB 2LEJ "Human Prion Protein Mutant Huprp(90-231, M129, V210i)" 98.63 147 98.61 100.00 6.91e-103 PDB 2LFT "Human Prion Protein With E219k Protective Polymorphism" 97.26 142 98.59 100.00 1.36e-100 PDB 2LSB "Solution-State Nmr Structure Of The Human Prion Protein" 97.26 142 99.30 100.00 3.76e-101 PDB 2LV1 "Solution-state Nmr Structure Of Prion Protein Mutant V210i At Neutral Ph" 98.63 147 98.61 100.00 6.91e-103 PDB 2M8T "Solution Nmr Structure Of The V209m Variant Of The Human Prion Protein (residues 90-231)" 100.00 146 100.00 100.00 4.38e-105 PDB 2W9E "Structure Of Icsm 18 (Anti-Prp Therapeutic Antibody) Fab Fragment Complexed With Human Prp Fragment 119-231" 77.40 113 99.12 100.00 2.80e-77 PDB 3HAF "Human Prion Protein Variant V129 Domain Swapped Dimer" 97.26 142 98.59 100.00 1.68e-100 PDB 3HAK "Human Prion Protein Variant V129" 70.55 103 98.06 100.00 2.68e-69 PDB 3HEQ "Human Prion Protein Variant D178n With M129" 97.26 142 98.59 100.00 2.04e-100 PDB 3HER "Human Prion Protein Variant F198s With V129" 97.26 142 97.89 99.30 3.28e-99 PDB 3HES "Human Prion Protein Variant F198s With M129" 97.26 142 98.59 99.30 7.18e-100 PDB 3HJ5 "Human Prion Protein Variant V129 Domain Swapped Dimer" 97.26 142 98.59 100.00 1.68e-100 PDB 3HJX "Human Prion Protein Variant D178n With V129" 72.60 106 97.17 100.00 1.37e-70 PDB 4DGI "Structure Of Pom1 Fab Fragment Complexed With Human Prpc Fragment 120- 230" 76.03 111 99.10 100.00 6.78e-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" 100.00 241 97.26 97.95 2.16e-99 PDB 4N9O "Probing The N-terminal Beta-sheet Conversion In The Crystal Structure Of The Human Prion Protein Bound To A Nanobody" 97.26 142 99.30 100.00 3.76e-101 DBJ BAF62360 "prion protein, transcript variant 2 [Pan troglodytes verus]" 93.84 253 97.81 100.00 6.80e-81 DBJ BAG32276 "prion [Homo sapiens]" 100.00 253 97.26 97.95 4.71e-99 DBJ BAG32278 "alternatively spliced variant form of prion [Homo sapiens]" 90.41 230 96.97 97.73 1.71e-88 DBJ BAG52189 "unnamed protein product [Homo sapiens]" 79.45 163 98.28 99.14 2.08e-79 DBJ BAG56832 "unnamed protein product [Homo sapiens]" 100.00 192 97.26 97.95 7.60e-100 EMBL CAA58442 "prion protein [Homo sapiens]" 100.00 245 97.26 97.95 3.61e-99 EMBL CAG46836 "PRNP [Homo sapiens]" 93.84 253 97.81 99.27 9.15e-76 GB AAA60182 "prion protein [Homo sapiens]" 100.00 253 97.26 97.95 4.71e-99 GB AAA68632 "major prion protein precursor [Pan troglodytes]" 93.84 253 97.81 100.00 6.80e-81 GB AAB59442 "prion protein, partial [Homo sapiens]" 100.00 224 97.26 97.95 2.65e-99 GB AAB59443 "prion protein, partial [Homo sapiens]" 100.00 233 97.26 97.95 3.32e-99 GB AAC05365 "prion protein variant [Homo sapiens]" 93.84 246 97.81 100.00 2.09e-77 REF NP_000302 "major prion protein preproprotein [Homo sapiens]" 100.00 253 97.26 97.95 4.71e-99 REF NP_001009093 "major prion protein preproprotein [Pan troglodytes]" 93.84 253 97.81 100.00 6.80e-81 REF NP_001073590 "major prion protein preproprotein [Homo sapiens]" 100.00 253 97.26 97.95 4.71e-99 REF NP_001073591 "major prion protein preproprotein [Homo sapiens]" 100.00 253 97.26 97.95 4.71e-99 REF NP_001073592 "major prion protein preproprotein [Homo sapiens]" 100.00 253 97.26 97.95 4.71e-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 97.26 97.95 4.71e-99 SP P61766 "RecName: Full=Major prion protein; Short=PrP; AltName: Full=PrP27-30; AltName: Full=PrP33-35C; AltName: CD_antigen=CD230; Flags" 93.84 253 97.81 100.00 6.80e-81 SP P61767 "RecName: Full=Major prion protein; Short=PrP; AltName: Full=PrP27-30; AltName: Full=PrP33-35C; AltName: CD_antigen=CD230; Flags" 93.84 253 97.81 100.00 6.80e-81 SP P61768 "RecName: Full=Major prion protein; Short=PrP; AltName: Full=PrP27-30; AltName: Full=PrP33-35C; AltName: CD_antigen=CD230; Flags" 93.84 253 97.81 100.00 6.80e-81 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Gene_mnemonic $MAJOR_PRION_PROTEIN Human 9606 Eukaryota Metazoa Homo sapiens 'PRNP, PRIP, PRP' 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 $MAJOR_PRION_PROTEIN 'recombinant technology' . ESCHERICHIA COLI . HUPRP stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '1.0 MM [U-99% 13C, U-99% 15N]' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $MAJOR_PRION_PROTEIN 1.0 mM '[U-99% 13C; U-99% 15N]' 'sodium acetate' 10 mM 'natural abundance' 'sodium azide' 0.005 w/v 'natural abundance' H2O 95 % 'natural abundance' D2O 5 % 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details '1.0 MM [U-5% 13C, U-99% 15N]' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $MAJOR_PRION_PROTEIN 1.0 mM '[U-5% 13C; U-99% 15N]' 'sodium acetate' 10 mM 'natural abundance' 'sodium azide' 0.005 w/v 'natural abundance' H2O 95 % 'natural abundance' D2O 5 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_VNMR _Saveframe_category software _Name VNMR _Version . loop_ _Vendor _Address _Electronic_address Varian . . stop_ loop_ _Task collection stop_ _Details . save_ save_PROSA _Saveframe_category software _Name PROSA _Version . loop_ _Vendor _Address _Electronic_address Guntert . . stop_ loop_ _Task processing stop_ _Details . save_ save_XEASY _Saveframe_category software _Name XEASY _Version . loop_ _Vendor _Address _Electronic_address 'Bartels et al.' . . stop_ _Details . save_ save_TALOS _Saveframe_category software _Name TALOS _Version . loop_ _Vendor _Address _Electronic_address 'Cornilescu, Delaglio and Bax' . . stop_ loop_ _Task 'geometry optimization' 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_CNS _Saveframe_category software _Name CNS _Version . loop_ _Vendor _Address _Electronic_address 'Brunger, Adams, Clore, Gros, Nilges and Read' . . stop_ loop_ _Task 'geometry optimization' stop_ _Details . save_ save_MOLMOL _Saveframe_category software _Name Molmol _Version . loop_ _Vendor _Address _Electronic_address 'Koradi, Billeter and Wuthrich' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer VARIAN _Model INOVA _Field_strength 500 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer BRUKER _Model AVANCE _Field_strength 600 _Details . save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ save_spectrometer_4 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 900 _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_1 save_ save_2D_1H-13C_HSQC_AROMATIC_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC AROMATIC' _Sample_label $sample_1 save_ save_2D_1H-1H_NOESY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _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_H(CCO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_1 save_ save_3D_C(CO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_1 save_ save_3D_HCCH_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH' _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_1 save_ save_3D_1H-13C_NOESY_aromatic_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_aliphatic_11 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic' _Sample_label $sample_2 save_ save_3D_HNCACB_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCO_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_15 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 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' 10 . mM pH 4.6 . pH pressure 1 . atm temperature 299 . 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 '3D 1H-13C NOESY aliphatic' '3D 1H-13C NOESY aromatic' '3D 1H-15N NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'MAJOR PRION PROTEIN' _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 1 GLY HA2 H 3.875 0.020 1 2 86 1 GLY HA3 H 3.875 0.020 1 3 86 1 GLY CA C 43.411 0.300 1 4 87 2 SER H H 8.600 0.020 1 5 87 2 SER HA H 4.473 0.020 1 6 87 2 SER HB2 H 3.811 0.020 1 7 87 2 SER HB3 H 3.811 0.020 1 8 87 2 SER CA C 58.148 0.300 1 9 87 2 SER CB C 63.953 0.300 1 10 87 2 SER N N 115.741 0.300 1 11 88 3 ASP H H 8.438 0.020 1 12 88 3 ASP HA H 4.881 0.020 1 13 88 3 ASP HB2 H 2.722 0.020 2 14 88 3 ASP HB3 H 2.550 0.020 2 15 88 3 ASP CA C 54.716 0.300 1 16 88 3 ASP CB C 41.367 0.300 1 17 88 3 ASP N N 123.605 0.300 1 18 89 4 PRO HA H 4.400 0.020 1 19 89 4 PRO HB2 H 2.260 0.020 2 20 89 4 PRO HB3 H 1.909 0.020 2 21 89 4 PRO HG2 H 1.987 0.020 1 22 89 4 PRO HG3 H 1.987 0.020 1 23 89 4 PRO HD2 H 3.776 0.020 2 24 89 4 PRO HD3 H 3.605 0.020 2 25 89 4 PRO CA C 63.587 0.300 1 26 89 4 PRO CB C 32.113 0.300 1 27 89 4 PRO CG C 27.136 0.300 1 28 89 4 PRO CD C 50.847 0.300 1 29 90 5 GLY H H 8.482 0.020 1 30 90 5 GLY HA2 H 3.902 0.020 1 31 90 5 GLY HA3 H 3.902 0.020 1 32 90 5 GLY CA C 45.409 0.300 1 33 90 5 GLY N N 108.429 0.300 1 34 91 6 GLN H H 8.084 0.020 1 35 91 6 GLN HA H 4.324 0.020 1 36 91 6 GLN HB2 H 2.142 0.020 2 37 91 6 GLN HB3 H 1.962 0.020 2 38 91 6 GLN HG2 H 2.325 0.020 1 39 91 6 GLN HG3 H 2.325 0.020 1 40 91 6 GLN HE21 H 7.362 0.020 2 41 91 6 GLN HE22 H 6.793 0.020 2 42 91 6 GLN CA C 55.912 0.300 1 43 91 6 GLN CB C 29.280 0.300 1 44 91 6 GLN CG C 33.851 0.300 1 45 91 6 GLN N N 119.598 0.300 1 46 91 6 GLN NE2 N 112.348 0.300 1 47 92 7 GLY H H 8.445 0.020 1 48 92 7 GLY HA2 H 3.964 0.020 1 49 92 7 GLY HA3 H 3.964 0.020 1 50 92 7 GLY CA C 45.430 0.300 1 51 92 7 GLY N N 109.845 0.300 1 52 93 8 GLY H H 8.291 0.020 1 53 93 8 GLY HA2 H 3.913 0.020 1 54 93 8 GLY HA3 H 3.913 0.020 1 55 93 8 GLY CA C 45.274 0.300 1 56 93 8 GLY N N 108.591 0.300 1 57 94 9 GLY H H 8.286 0.020 1 58 94 9 GLY HA2 H 3.980 0.020 1 59 94 9 GLY HA3 H 3.980 0.020 1 60 94 9 GLY CA C 45.229 0.300 1 61 94 9 GLY N N 108.815 0.300 1 62 95 10 THR H H 8.075 0.020 1 63 95 10 THR HA H 4.255 0.020 1 64 95 10 THR HB H 4.145 0.020 1 65 95 10 THR HG2 H 1.135 0.020 1 66 95 10 THR CA C 62.262 0.300 1 67 95 10 THR CB C 69.627 0.300 1 68 95 10 THR CG2 C 21.605 0.300 1 69 95 10 THR N N 113.428 0.300 1 70 96 11 HIS H H 8.522 0.020 1 71 96 11 HIS HA H 4.636 0.020 1 72 96 11 HIS HB2 H 3.201 0.020 2 73 96 11 HIS HB3 H 3.113 0.020 2 74 96 11 HIS HD2 H 7.365 0.020 1 75 96 11 HIS CA C 55.268 0.300 1 76 96 11 HIS CB C 29.219 0.300 1 77 96 11 HIS CD2 C 119.831 0.300 1 78 96 11 HIS N N 120.374 0.300 1 79 97 12 SER H H 8.258 0.020 1 80 97 12 SER HA H 4.361 0.020 1 81 97 12 SER HB2 H 3.759 0.020 1 82 97 12 SER HB3 H 3.759 0.020 1 83 97 12 SER CA C 58.543 0.300 1 84 97 12 SER CB C 63.874 0.300 1 85 97 12 SER N N 116.904 0.300 1 86 98 13 GLN H H 8.429 0.020 1 87 98 13 GLN HA H 4.256 0.020 1 88 98 13 GLN HB2 H 1.930 0.020 2 89 98 13 GLN HB3 H 1.838 0.020 2 90 98 13 GLN HG2 H 2.140 0.020 1 91 98 13 GLN HG3 H 2.140 0.020 1 92 98 13 GLN HE21 H 7.425 0.020 2 93 98 13 GLN HE22 H 6.791 0.020 2 94 98 13 GLN CA C 56.115 0.300 1 95 98 13 GLN CB C 29.287 0.300 1 96 98 13 GLN CG C 33.535 0.300 1 97 98 13 GLN N N 121.911 0.300 1 98 98 13 GLN NE2 N 112.561 0.300 1 99 99 14 TRP H H 8.065 0.020 1 100 99 14 TRP HA H 4.652 0.020 1 101 99 14 TRP HB2 H 3.269 0.020 2 102 99 14 TRP HB3 H 3.171 0.020 2 103 99 14 TRP HD1 H 7.212 0.020 1 104 99 14 TRP HE1 H 10.071 0.020 1 105 99 14 TRP HE3 H 7.575 0.020 1 106 99 14 TRP HZ2 H 7.413 0.020 1 107 99 14 TRP HZ3 H 7.090 0.020 1 108 99 14 TRP HH2 H 7.184 0.020 1 109 99 14 TRP CA C 57.131 0.300 1 110 99 14 TRP CB C 29.585 0.300 1 111 99 14 TRP CD1 C 126.676 0.300 1 112 99 14 TRP CE3 C 120.455 0.300 1 113 99 14 TRP CZ2 C 114.190 0.300 1 114 99 14 TRP CZ3 C 121.629 0.300 1 115 99 14 TRP CH2 C 124.243 0.300 1 116 99 14 TRP N N 121.530 0.300 1 117 99 14 TRP NE1 N 129.392 0.300 1 118 100 15 ASN H H 8.065 0.020 1 119 100 15 ASN HA H 4.584 0.020 1 120 100 15 ASN HB2 H 2.555 0.020 2 121 100 15 ASN HB3 H 2.516 0.020 2 122 100 15 ASN HD21 H 7.431 0.020 2 123 100 15 ASN HD22 H 6.783 0.020 2 124 100 15 ASN CA C 52.795 0.300 1 125 100 15 ASN CB C 38.908 0.300 1 126 100 15 ASN N N 120.377 0.300 1 127 100 15 ASN ND2 N 112.046 0.300 1 128 101 16 LYS H H 7.948 0.020 1 129 101 16 LYS HA H 4.430 0.020 1 130 101 16 LYS HB2 H 1.747 0.020 2 131 101 16 LYS HB3 H 1.616 0.020 2 132 101 16 LYS HG2 H 1.365 0.020 1 133 101 16 LYS HG3 H 1.365 0.020 1 134 101 16 LYS HD2 H 1.624 0.020 1 135 101 16 LYS HD3 H 1.624 0.020 1 136 101 16 LYS HE2 H 2.941 0.020 1 137 101 16 LYS HE3 H 2.941 0.020 1 138 101 16 LYS CA C 54.180 0.300 1 139 101 16 LYS CB C 32.388 0.300 1 140 101 16 LYS CG C 24.909 0.300 1 141 101 16 LYS CD C 28.935 0.300 1 142 101 16 LYS CE C 42.056 0.300 1 143 101 16 LYS N N 122.677 0.300 1 144 102 17 PRO HA H 4.406 0.020 1 145 102 17 PRO HB2 H 2.267 0.020 2 146 102 17 PRO HB3 H 1.884 0.020 2 147 102 17 PRO HG2 H 1.992 0.020 1 148 102 17 PRO HG3 H 1.992 0.020 1 149 102 17 PRO HD2 H 3.774 0.020 2 150 102 17 PRO HD3 H 3.605 0.020 2 151 102 17 PRO CA C 63.094 0.300 1 152 102 17 PRO CB C 32.192 0.300 1 153 102 17 PRO CG C 27.373 0.300 1 154 102 17 PRO CD C 50.759 0.300 1 155 103 18 SER H H 8.382 0.020 1 156 103 18 SER HA H 4.407 0.020 1 157 103 18 SER HB2 H 3.820 0.020 1 158 103 18 SER HB3 H 3.820 0.020 1 159 103 18 SER CA C 58.080 0.300 1 160 103 18 SER CB C 64.111 0.300 1 161 103 18 SER N N 116.909 0.300 1 162 104 19 LYS H H 8.279 0.020 1 163 104 19 LYS HA H 4.600 0.020 1 164 104 19 LYS HB2 H 1.799 0.020 2 165 104 19 LYS HB3 H 1.690 0.020 2 166 104 19 LYS HG2 H 1.439 0.020 1 167 104 19 LYS HG3 H 1.439 0.020 1 168 104 19 LYS HD2 H 1.680 0.020 1 169 104 19 LYS HD3 H 1.680 0.020 1 170 104 19 LYS HE2 H 2.975 0.020 1 171 104 19 LYS HE3 H 2.975 0.020 1 172 104 19 LYS CA C 54.184 0.300 1 173 104 19 LYS CB C 32.388 0.300 1 174 104 19 LYS CG C 24.400 0.300 1 175 104 19 LYS CD C 28.935 0.300 1 176 104 19 LYS CE C 42.056 0.300 1 177 104 19 LYS N N 124.225 0.300 1 178 105 20 PRO HA H 4.396 0.020 1 179 105 20 PRO HB2 H 2.266 0.020 2 180 105 20 PRO HB3 H 1.859 0.020 2 181 105 20 PRO HG2 H 1.981 0.020 1 182 105 20 PRO HG3 H 1.981 0.020 1 183 105 20 PRO HD2 H 3.767 0.020 2 184 105 20 PRO HD3 H 3.594 0.020 2 185 105 20 PRO CA C 63.018 0.300 1 186 105 20 PRO CB C 32.271 0.300 1 187 105 20 PRO CG C 27.373 0.300 1 188 105 20 PRO CD C 50.759 0.300 1 189 106 21 LYS H H 8.481 0.020 1 190 106 21 LYS HA H 4.321 0.020 1 191 106 21 LYS HB2 H 1.840 0.020 2 192 106 21 LYS HB3 H 1.747 0.020 2 193 106 21 LYS HG2 H 1.464 0.020 2 194 106 21 LYS HG3 H 1.428 0.020 2 195 106 21 LYS HD2 H 1.679 0.020 1 196 106 21 LYS HD3 H 1.679 0.020 1 197 106 21 LYS HE2 H 2.995 0.020 1 198 106 21 LYS HE3 H 2.995 0.020 1 199 106 21 LYS CA C 56.420 0.300 1 200 106 21 LYS CB C 33.061 0.300 1 201 106 21 LYS CG C 25.081 0.300 1 202 106 21 LYS CD C 29.111 0.300 1 203 106 21 LYS CE C 42.305 0.300 1 204 106 21 LYS N N 121.921 0.300 1 205 107 22 THR H H 8.102 0.020 1 206 107 22 THR HA H 4.304 0.020 1 207 107 22 THR HB H 4.158 0.020 1 208 107 22 THR HG2 H 1.159 0.020 1 209 107 22 THR CA C 61.637 0.300 1 210 107 22 THR CB C 69.799 0.300 1 211 107 22 THR CG2 C 21.605 0.300 1 212 107 22 THR N N 115.362 0.300 1 213 108 23 ASN H H 8.495 0.020 1 214 108 23 ASN HA H 4.694 0.020 1 215 108 23 ASN HB2 H 2.816 0.020 2 216 108 23 ASN HB3 H 2.723 0.020 2 217 108 23 ASN HD21 H 7.557 0.020 2 218 108 23 ASN HD22 H 6.860 0.020 2 219 108 23 ASN CA C 53.168 0.300 1 220 108 23 ASN CB C 38.750 0.300 1 221 108 23 ASN N N 121.166 0.300 1 222 108 23 ASN ND2 N 112.704 0.300 1 223 109 24 MET H H 8.302 0.020 1 224 109 24 MET HA H 4.416 0.020 1 225 109 24 MET HB2 H 2.037 0.020 2 226 109 24 MET HB3 H 1.930 0.020 2 227 109 24 MET HG2 H 2.536 0.020 2 228 109 24 MET HG3 H 2.480 0.020 2 229 109 24 MET HE H 1.363 0.020 1 230 109 24 MET CA C 55.573 0.300 1 231 109 24 MET CB C 31.007 0.300 1 232 109 24 MET CG C 32.388 0.300 1 233 109 24 MET CE C 19.096 0.300 1 234 109 24 MET N N 121.154 0.300 1 235 110 25 LYS H H 8.259 0.020 1 236 110 25 LYS HA H 4.210 0.020 1 237 110 25 LYS HB2 H 1.698 0.020 1 238 110 25 LYS HB3 H 1.698 0.020 1 239 110 25 LYS HG2 H 1.388 0.020 2 240 110 25 LYS HG3 H 1.322 0.020 2 241 110 25 LYS HD2 H 1.643 0.020 1 242 110 25 LYS HD3 H 1.643 0.020 1 243 110 25 LYS HE2 H 2.961 0.020 1 244 110 25 LYS HE3 H 2.961 0.020 1 245 110 25 LYS CA C 56.488 0.300 1 246 110 25 LYS CB C 33.140 0.300 1 247 110 25 LYS CG C 27.017 0.300 1 248 110 25 LYS CD C 28.935 0.300 1 249 110 25 LYS CE C 42.147 0.300 1 250 110 25 LYS N N 122.304 0.300 1 251 111 26 HIS H H 8.468 0.020 1 252 111 26 HIS HA H 4.619 0.020 1 253 111 26 HIS HB2 H 3.216 0.020 2 254 111 26 HIS HB3 H 3.107 0.020 2 255 111 26 HIS HD2 H 7.198 0.020 1 256 111 26 HIS CA C 55.198 0.300 1 257 111 26 HIS CB C 29.111 0.300 1 258 111 26 HIS CD2 C 119.620 0.300 1 259 111 26 HIS N N 119.597 0.300 1 260 112 27 MET H H 8.385 0.020 1 261 112 27 MET HA H 4.434 0.020 1 262 112 27 MET HB2 H 2.042 0.020 2 263 112 27 MET HB3 H 1.936 0.020 2 264 112 27 MET HG2 H 2.543 0.020 2 265 112 27 MET HG3 H 2.478 0.020 2 266 112 27 MET HE H 2.061 0.020 1 267 112 27 MET CA C 55.302 0.300 1 268 112 27 MET CB C 33.078 0.300 1 269 112 27 MET CG C 32.042 0.300 1 270 112 27 MET CE C 16.934 0.300 1 271 112 27 MET N N 122.696 0.300 1 272 113 28 ALA H H 8.390 0.020 1 273 113 28 ALA HA H 4.295 0.020 1 274 113 28 ALA HB H 1.357 0.020 1 275 113 28 ALA CA C 52.500 0.300 1 276 113 28 ALA CB C 19.000 0.300 1 277 113 28 ALA N N 125.770 0.300 1 278 114 29 GLY H H 8.356 0.020 1 279 114 29 GLY HA2 H 3.914 0.020 1 280 114 29 GLY HA3 H 3.914 0.020 1 281 114 29 GLY CA C 45.240 0.300 1 282 114 29 GLY N N 108.458 0.300 1 283 115 30 ALA H H 8.107 0.020 1 284 115 30 ALA HA H 4.277 0.020 1 285 115 30 ALA HB H 1.349 0.020 1 286 115 30 ALA CA C 52.524 0.300 1 287 115 30 ALA CB C 19.393 0.300 1 288 115 30 ALA N N 123.843 0.300 1 289 116 31 ALA H H 8.241 0.020 1 290 116 31 ALA HA H 4.264 0.020 1 291 116 31 ALA HB H 1.355 0.020 1 292 116 31 ALA CA C 52.472 0.300 1 293 116 31 ALA CB C 19.235 0.300 1 294 116 31 ALA N N 123.101 0.300 1 295 117 32 ALA H H 8.155 0.020 1 296 117 32 ALA HA H 4.246 0.020 1 297 117 32 ALA HB H 1.355 0.020 1 298 117 32 ALA CA C 52.433 0.300 1 299 117 32 ALA CB C 19.235 0.300 1 300 117 32 ALA N N 123.228 0.300 1 301 118 33 ALA H H 8.188 0.020 1 302 118 33 ALA HA H 3.919 0.020 1 303 118 33 ALA HB H 1.363 0.020 1 304 118 33 ALA CA C 52.539 0.300 1 305 118 33 ALA CB C 19.156 0.300 1 306 118 33 ALA N N 123.218 0.300 1 307 119 34 GLY H H 8.233 0.020 1 308 119 34 GLY HA2 H 3.901 0.020 1 309 119 34 GLY HA3 H 3.901 0.020 1 310 119 34 GLY CA C 45.240 0.300 1 311 119 34 GLY N N 108.025 0.300 1 312 120 35 ALA H H 8.033 0.020 1 313 120 35 ALA HA H 3.899 0.020 1 314 120 35 ALA HB H 1.333 0.020 1 315 120 35 ALA CA C 52.228 0.300 1 316 120 35 ALA CB C 19.800 0.300 1 317 120 35 ALA N N 123.467 0.300 1 318 121 36 VAL H H 8.091 0.020 1 319 121 36 VAL HA H 4.111 0.020 1 320 121 36 VAL HB H 1.990 0.020 1 321 121 36 VAL HG1 H 0.868 0.020 2 322 121 36 VAL HG2 H 0.829 0.020 2 323 121 36 VAL CA C 62.163 0.300 1 324 121 36 VAL CB C 32.473 0.300 1 325 121 36 VAL CG1 C 21.200 0.300 1 326 121 36 VAL CG2 C 21.200 0.300 1 327 121 36 VAL N N 119.624 0.300 1 328 122 37 VAL H H 8.224 0.020 1 329 122 37 VAL HA H 4.070 0.020 1 330 122 37 VAL HB H 1.985 0.020 1 331 122 37 VAL HG1 H 0.870 0.020 2 332 122 37 VAL HG2 H 0.830 0.020 2 333 122 37 VAL CA C 62.427 0.300 1 334 122 37 VAL CB C 32.655 0.300 1 335 122 37 VAL CG1 C 21.200 0.300 1 336 122 37 VAL CG2 C 21.200 0.300 1 337 122 37 VAL N N 124.582 0.300 1 338 123 38 GLY H H 8.528 0.020 1 339 123 38 GLY HA2 H 3.913 0.020 1 340 123 38 GLY HA3 H 3.913 0.020 1 341 123 38 GLY CA C 45.376 0.300 1 342 123 38 GLY N N 113.420 0.300 1 343 124 39 GLY H H 8.228 0.020 1 344 124 39 GLY HA2 H 3.917 0.020 1 345 124 39 GLY HA3 H 3.917 0.020 1 346 124 39 GLY CA C 45.342 0.300 1 347 124 39 GLY N N 108.438 0.300 1 348 125 40 LEU H H 8.171 0.020 1 349 125 40 LEU HA H 4.344 0.020 1 350 125 40 LEU HB2 H 1.585 0.020 2 351 125 40 LEU HB3 H 1.521 0.020 2 352 125 40 LEU HG H 1.473 0.020 1 353 125 40 LEU HD1 H 0.670 0.020 2 354 125 40 LEU HD2 H 0.566 0.020 2 355 125 40 LEU CA C 54.900 0.300 1 356 125 40 LEU CB C 42.609 0.300 1 357 125 40 LEU CG C 27.009 0.300 1 358 125 40 LEU CD1 C 24.525 0.300 1 359 125 40 LEU CD2 C 23.500 0.300 1 360 125 40 LEU N N 121.917 0.300 1 361 126 41 GLY H H 8.468 0.020 1 362 126 41 GLY HA2 H 3.920 0.020 2 363 126 41 GLY HA3 H 3.861 0.020 2 364 126 41 GLY CA C 46.197 0.300 1 365 126 41 GLY N N 109.965 0.300 1 366 127 42 GLY H H 8.282 0.020 1 367 127 42 GLY HA2 H 3.854 0.020 2 368 127 42 GLY HA3 H 3.720 0.020 2 369 127 42 GLY CA C 45.163 0.300 1 370 127 42 GLY N N 108.830 0.300 1 371 128 43 TYR H H 7.700 0.020 1 372 128 43 TYR HA H 4.468 0.020 1 373 128 43 TYR HB2 H 2.827 0.020 1 374 128 43 TYR HB3 H 2.827 0.020 1 375 128 43 TYR HD1 H 6.792 0.020 1 376 128 43 TYR HD2 H 6.792 0.020 1 377 128 43 TYR HE1 H 6.625 0.020 1 378 128 43 TYR HE2 H 6.625 0.020 1 379 128 43 TYR CA C 58.046 0.300 1 380 128 43 TYR CB C 40.257 0.300 1 381 128 43 TYR CD1 C 132.388 0.300 1 382 128 43 TYR CE1 C 117.897 0.300 1 383 128 43 TYR N N 117.667 0.300 1 384 129 44 MET H H 8.984 0.020 1 385 129 44 MET HA H 4.501 0.020 1 386 129 44 MET HB2 H 1.534 0.020 2 387 129 44 MET HB3 H 0.899 0.020 2 388 129 44 MET HG2 H 2.195 0.020 1 389 129 44 MET HG3 H 2.195 0.020 1 390 129 44 MET HE H 1.969 0.020 1 391 129 44 MET CA C 53.699 0.300 1 392 129 44 MET CB C 34.459 0.300 1 393 129 44 MET CG C 32.183 0.300 1 394 129 44 MET CE C 17.390 0.300 1 395 129 44 MET N N 120.799 0.300 1 396 130 45 LEU H H 8.037 0.020 1 397 130 45 LEU HA H 4.460 0.020 1 398 130 45 LEU HB2 H 1.567 0.020 2 399 130 45 LEU HB3 H 0.928 0.020 2 400 130 45 LEU HG H 1.342 0.020 1 401 130 45 LEU HD1 H 0.590 0.020 2 402 130 45 LEU HD2 H -0.033 0.020 2 403 130 45 LEU CA C 53.104 0.300 1 404 130 45 LEU CB C 43.706 0.300 1 405 130 45 LEU CG C 25.700 0.300 1 406 130 45 LEU CD1 C 25.700 0.300 1 407 130 45 LEU CD2 C 21.700 0.300 1 408 130 45 LEU N N 121.559 0.300 1 409 131 46 GLY H H 9.293 0.020 1 410 131 46 GLY HA2 H 4.409 0.020 2 411 131 46 GLY HA3 H 3.975 0.020 2 412 131 46 GLY CA C 44.810 0.300 1 413 131 46 GLY N N 114.981 0.300 1 414 132 47 SER H H 8.348 0.020 1 415 132 47 SER HA H 4.391 0.020 1 416 132 47 SER HB2 H 3.928 0.020 1 417 132 47 SER HB3 H 3.928 0.020 1 418 132 47 SER CA C 58.520 0.300 1 419 132 47 SER CB C 64.166 0.300 1 420 132 47 SER N N 113.682 0.300 1 421 133 48 ALA H H 8.755 0.020 1 422 133 48 ALA HA H 4.384 0.020 1 423 133 48 ALA HB H 1.254 0.020 1 424 133 48 ALA CA C 52.931 0.300 1 425 133 48 ALA CB C 18.465 0.300 1 426 133 48 ALA N N 125.770 0.300 1 427 134 49 MET H H 8.676 0.020 1 428 134 49 MET HA H 4.734 0.020 1 429 134 49 MET HB2 H 1.994 0.020 1 430 134 49 MET HB3 H 1.994 0.020 1 431 134 49 MET HG2 H 2.443 0.020 2 432 134 49 MET HG3 H 2.361 0.020 2 433 134 49 MET HE H 2.125 0.020 1 434 134 49 MET CA C 53.845 0.300 1 435 134 49 MET CB C 37.222 0.300 1 436 134 49 MET CG C 30.661 0.300 1 437 134 49 MET CE C 17.440 0.300 1 438 134 49 MET N N 120.750 0.300 1 439 135 50 SER H H 8.416 0.020 1 440 135 50 SER HA H 4.309 0.020 1 441 135 50 SER HB2 H 3.740 0.020 1 442 135 50 SER HB3 H 3.740 0.020 1 443 135 50 SER CA C 59.074 0.300 1 444 135 50 SER CB C 63.575 0.300 1 445 135 50 SER N N 116.137 0.300 1 446 136 51 ARG H H 8.580 0.020 1 447 136 51 ARG HE H 6.526 0.020 1 448 136 51 ARG CA C 54.895 0.300 1 449 136 51 ARG N N 126.711 0.300 1 450 136 51 ARG NE N 86.110 0.300 1 451 137 52 PRO HA H 4.413 0.020 1 452 137 52 PRO HB2 H 1.731 0.020 1 453 137 52 PRO HB3 H 2.212 0.020 1 454 137 52 PRO HG2 H 1.745 0.020 1 455 137 52 PRO HG3 H 1.745 0.020 1 456 137 52 PRO HD2 H 3.861 0.020 2 457 137 52 PRO HD3 H 3.784 0.020 2 458 137 52 PRO CA C 62.145 0.300 1 459 137 52 PRO CB C 32.271 0.300 1 460 137 52 PRO CG C 27.531 0.300 1 461 137 52 PRO CD C 50.838 0.300 1 462 138 53 ILE H H 8.670 0.020 1 463 138 53 ILE HA H 4.139 0.020 1 464 138 53 ILE HB H 1.907 0.020 1 465 138 53 ILE HG12 H 1.550 0.020 2 466 138 53 ILE HG13 H 1.373 0.020 2 467 138 53 ILE HG2 H 0.691 0.020 1 468 138 53 ILE HD1 H 0.861 0.020 1 469 138 53 ILE CA C 60.892 0.300 1 470 138 53 ILE CB C 36.300 0.300 1 471 138 53 ILE CG1 C 27.209 0.300 1 472 138 53 ILE CG2 C 17.030 0.300 1 473 138 53 ILE CD1 C 11.000 0.300 1 474 138 53 ILE N N 122.330 0.300 1 475 139 54 ILE H H 6.219 0.020 1 476 139 54 ILE HA H 3.890 0.020 1 477 139 54 ILE HB H 0.780 0.020 1 478 139 54 ILE HG12 H 0.841 0.020 2 479 139 54 ILE HG13 H 0.825 0.020 2 480 139 54 ILE HG2 H -0.120 0.020 1 481 139 54 ILE HD1 H 0.445 0.020 1 482 139 54 ILE CA C 58.520 0.300 1 483 139 54 ILE CB C 38.829 0.300 1 484 139 54 ILE CG1 C 26.518 0.300 1 485 139 54 ILE CG2 C 17.200 0.300 1 486 139 54 ILE CD1 C 11.800 0.300 1 487 139 54 ILE N N 126.938 0.300 1 488 140 55 HIS H H 8.180 0.020 1 489 140 55 HIS HA H 4.935 0.020 1 490 140 55 HIS HB2 H 3.278 0.020 2 491 140 55 HIS HB3 H 2.905 0.020 2 492 140 55 HIS HD2 H 7.234 0.020 1 493 140 55 HIS CA C 54.082 0.300 1 494 140 55 HIS CB C 29.585 0.300 1 495 140 55 HIS CD2 C 119.609 0.300 1 496 140 55 HIS N N 121.930 0.300 1 497 141 56 PHE H H 10.365 0.020 1 498 141 56 PHE HA H 4.302 0.020 1 499 141 56 PHE HB2 H 3.294 0.020 2 500 141 56 PHE HB3 H 2.781 0.020 2 501 141 56 PHE HD1 H 7.281 0.020 1 502 141 56 PHE HD2 H 7.281 0.020 1 503 141 56 PHE HE1 H 6.865 0.020 1 504 141 56 PHE HE2 H 6.865 0.020 1 505 141 56 PHE HZ H 6.802 0.020 1 506 141 56 PHE CA C 59.367 0.300 1 507 141 56 PHE CB C 41.594 0.300 1 508 141 56 PHE N N 124.229 0.300 1 509 142 57 GLY H H 8.965 0.020 1 510 142 57 GLY HA2 H 4.168 0.020 2 511 142 57 GLY HA3 H 3.794 0.020 2 512 142 57 GLY CA C 45.714 0.300 1 513 142 57 GLY N N 108.824 0.300 1 514 143 58 SER H H 7.257 0.020 1 515 143 58 SER HA H 4.770 0.020 1 516 143 58 SER HB2 H 4.087 0.020 2 517 143 58 SER HB3 H 3.876 0.020 2 518 143 58 SER CA C 56.657 0.300 1 519 143 58 SER CB C 66.165 0.300 1 520 143 58 SER N N 111.850 0.300 1 521 144 59 ASP H H 9.003 0.020 1 522 144 59 ASP HA H 4.470 0.020 1 523 144 59 ASP HB2 H 2.732 0.020 1 524 144 59 ASP HB3 H 2.732 0.020 1 525 144 59 ASP CA C 57.549 0.300 1 526 144 59 ASP CB C 40.505 0.300 1 527 144 59 ASP N N 124.733 0.300 1 528 145 60 TYR H H 8.534 0.020 1 529 145 60 TYR HA H 4.168 0.020 1 530 145 60 TYR HB2 H 3.225 0.020 2 531 145 60 TYR HB3 H 2.831 0.020 2 532 145 60 TYR HD1 H 7.027 0.020 1 533 145 60 TYR HD2 H 7.027 0.020 1 534 145 60 TYR HE1 H 6.738 0.020 1 535 145 60 TYR HE2 H 6.738 0.020 1 536 145 60 TYR CA C 61.468 0.300 1 537 145 60 TYR CB C 37.912 0.300 1 538 145 60 TYR CD1 C 132.921 0.300 1 539 145 60 TYR CE1 C 117.570 0.300 1 540 145 60 TYR N N 118.819 0.300 1 541 146 61 GLU H H 7.675 0.020 1 542 146 61 GLU HA H 3.565 0.020 1 543 146 61 GLU HB2 H 1.888 0.020 1 544 146 61 GLU HB3 H 1.493 0.020 1 545 146 61 GLU HG2 H 2.219 0.020 2 546 146 61 GLU HG3 H 1.874 0.020 2 547 146 61 GLU CA C 59.808 0.300 1 548 146 61 GLU CB C 30.059 0.300 1 549 146 61 GLU CG C 37.723 0.300 1 550 146 61 GLU N N 119.247 0.300 1 551 147 62 ASP H H 8.200 0.020 1 552 147 62 ASP HA H 4.646 0.020 1 553 147 62 ASP HB2 H 3.011 0.020 2 554 147 62 ASP HB3 H 2.852 0.020 2 555 147 62 ASP CA C 58.503 0.300 1 556 147 62 ASP CB C 40.171 0.300 1 557 147 62 ASP N N 119.643 0.300 1 558 148 63 ARG H H 8.178 0.020 1 559 148 63 ARG HA H 4.000 0.020 1 560 148 63 ARG HB2 H 1.880 0.020 1 561 148 63 ARG HB3 H 1.880 0.020 1 562 148 63 ARG HG2 H 1.730 0.020 2 563 148 63 ARG HG3 H 1.508 0.020 2 564 148 63 ARG HD2 H 3.194 0.020 1 565 148 63 ARG HD3 H 3.194 0.020 1 566 148 63 ARG HE H 7.441 0.020 1 567 148 63 ARG CA C 59.636 0.300 1 568 148 63 ARG CB C 30.059 0.300 1 569 148 63 ARG CG C 27.847 0.300 1 570 148 63 ARG CD C 43.437 0.300 1 571 148 63 ARG N N 120.244 0.300 1 572 148 63 ARG NE N 85.380 0.300 1 573 149 64 TYR H H 8.283 0.020 1 574 149 64 TYR HA H 3.803 0.020 1 575 149 64 TYR HB2 H 2.591 0.020 1 576 149 64 TYR HB3 H 2.868 0.020 1 577 149 64 TYR HD1 H 6.924 0.020 1 578 149 64 TYR HD2 H 6.924 0.020 1 579 149 64 TYR HE1 H 6.812 0.020 1 580 149 64 TYR HE2 H 6.812 0.020 1 581 149 64 TYR CA C 62.247 0.300 1 582 149 64 TYR CB C 38.118 0.300 1 583 149 64 TYR CD1 C 133.074 0.300 1 584 149 64 TYR CE1 C 117.703 0.300 1 585 149 64 TYR N N 121.408 0.300 1 586 150 65 TYR H H 8.948 0.020 1 587 150 65 TYR HA H 4.068 0.020 1 588 150 65 TYR HB2 H 3.622 0.020 2 589 150 65 TYR HB3 H 3.229 0.020 2 590 150 65 TYR HD1 H 7.506 0.020 1 591 150 65 TYR HD2 H 7.506 0.020 1 592 150 65 TYR HE1 H 7.073 0.020 1 593 150 65 TYR HE2 H 7.073 0.020 1 594 150 65 TYR CA C 63.117 0.300 1 595 150 65 TYR CB C 38.257 0.300 1 596 150 65 TYR CD1 C 133.088 0.300 1 597 150 65 TYR CE1 C 117.602 0.300 1 598 150 65 TYR N N 120.797 0.300 1 599 151 66 ARG H H 7.976 0.020 1 600 151 66 ARG HA H 3.909 0.020 1 601 151 66 ARG HB2 H 2.059 0.020 2 602 151 66 ARG HB3 H 1.943 0.020 2 603 151 66 ARG HG2 H 2.027 0.020 2 604 151 66 ARG HG3 H 1.738 0.020 2 605 151 66 ARG HD2 H 3.371 0.020 2 606 151 66 ARG HD3 H 3.275 0.020 2 607 151 66 ARG HE H 7.481 0.020 1 608 151 66 ARG CA C 60.050 0.300 1 609 151 66 ARG CB C 29.901 0.300 1 610 151 66 ARG CG C 27.899 0.300 1 611 151 66 ARG CD C 43.411 0.300 1 612 151 66 ARG N N 118.057 0.300 1 613 151 66 ARG NE N 84.250 0.300 1 614 152 67 GLU H H 8.162 0.020 1 615 152 67 GLU HA H 4.049 0.020 1 616 152 67 GLU HB2 H 1.872 0.020 1 617 152 67 GLU HB3 H 1.872 0.020 1 618 152 67 GLU HG2 H 2.404 0.020 2 619 152 67 GLU HG3 H 2.198 0.020 2 620 152 67 GLU CA C 58.125 0.300 1 621 152 67 GLU CB C 29.743 0.300 1 622 152 67 GLU CG C 36.300 0.300 1 623 152 67 GLU N N 116.916 0.300 1 624 153 68 ASN H H 7.602 0.020 1 625 153 68 ASN HA H 4.231 0.020 1 626 153 68 ASN HB2 H 2.102 0.020 1 627 153 68 ASN HB3 H 2.102 0.020 1 628 153 68 ASN HD21 H 6.778 0.020 2 629 153 68 ASN HD22 H 6.522 0.020 2 630 153 68 ASN CA C 54.800 0.300 1 631 153 68 ASN CB C 41.041 0.300 1 632 153 68 ASN N N 114.867 0.300 1 633 153 68 ASN ND2 N 116.916 0.300 1 634 154 69 MET H H 8.105 0.020 1 635 154 69 MET HA H 3.339 0.020 1 636 154 69 MET HB2 H 1.622 0.020 2 637 154 69 MET HB3 H 1.263 0.020 2 638 154 69 MET HG2 H 2.486 0.020 2 639 154 69 MET HG3 H 2.099 0.020 2 640 154 69 MET HE H 1.945 0.020 1 641 154 69 MET CA C 59.333 0.300 1 642 154 69 MET CB C 30.533 0.300 1 643 154 69 MET CG C 30.661 0.300 1 644 154 69 MET CE C 17.850 0.300 1 645 154 69 MET N N 119.633 0.300 1 646 155 70 HIS H H 8.026 0.020 1 647 155 70 HIS HA H 4.088 0.020 1 648 155 70 HIS HB2 H 3.271 0.020 2 649 155 70 HIS HB3 H 3.014 0.020 2 650 155 70 HIS HD2 H 7.292 0.020 1 651 155 70 HIS CA C 57.809 0.300 1 652 155 70 HIS CB C 27.373 0.300 1 653 155 70 HIS CD2 C 120.127 0.300 1 654 155 70 HIS N N 115.385 0.300 1 655 156 71 ARG H H 7.540 0.020 1 656 156 71 ARG HA H 4.094 0.020 1 657 156 71 ARG HB2 H 2.113 0.020 2 658 156 71 ARG HB3 H 1.467 0.020 2 659 156 71 ARG HG2 H 1.387 0.020 2 660 156 71 ARG HG3 H 0.263 0.020 2 661 156 71 ARG HD2 H 3.262 0.020 2 662 156 71 ARG HD3 H 3.085 0.020 2 663 156 71 ARG HE H 7.400 0.020 1 664 156 71 ARG CA C 56.183 0.300 1 665 156 71 ARG CB C 30.770 0.300 1 666 156 71 ARG CG C 27.136 0.300 1 667 156 71 ARG CD C 44.122 0.300 1 668 156 71 ARG N N 118.115 0.300 1 669 156 71 ARG NE N 84.260 0.300 1 670 157 72 TYR H H 7.513 0.020 1 671 157 72 TYR HA H 4.922 0.020 1 672 157 72 TYR HB2 H 3.209 0.020 2 673 157 72 TYR HB3 H 3.120 0.020 2 674 157 72 TYR HD1 H 6.893 0.020 1 675 157 72 TYR HD2 H 6.893 0.020 1 676 157 72 TYR HE1 H 6.493 0.020 1 677 157 72 TYR HE2 H 6.493 0.020 1 678 157 72 TYR CA C 52.388 0.300 1 679 157 72 TYR CB C 35.150 0.300 1 680 157 72 TYR CD1 C 131.050 0.300 1 681 157 72 TYR CE1 C 116.153 0.300 1 682 157 72 TYR N N 121.930 0.300 1 683 158 73 PRO HA H 4.315 0.020 1 684 158 73 PRO HB2 H 1.678 0.020 1 685 158 73 PRO HB3 H 2.343 0.020 1 686 158 73 PRO HG2 H 1.502 0.020 2 687 158 73 PRO HG3 H 1.266 0.020 2 688 158 73 PRO HD2 H 3.135 0.020 1 689 158 73 PRO HD3 H 3.135 0.020 1 690 158 73 PRO CA C 63.737 0.300 1 691 158 73 PRO CB C 32.388 0.300 1 692 158 73 PRO CG C 27.209 0.300 1 693 158 73 PRO CD C 50.000 0.300 1 694 159 74 ASN H H 8.330 0.020 1 695 159 74 ASN HA H 4.655 0.020 1 696 159 74 ASN HB2 H 3.702 0.020 2 697 159 74 ASN HB3 H 2.312 0.020 2 698 159 74 ASN HD21 H 7.451 0.020 2 699 159 74 ASN HD22 H 6.725 0.020 2 700 159 74 ASN CA C 51.711 0.300 1 701 159 74 ASN CB C 38.355 0.300 1 702 159 74 ASN N N 114.595 0.300 1 703 159 74 ASN ND2 N 108.807 0.300 1 704 160 75 GLN H H 7.193 0.020 1 705 160 75 GLN HA H 4.479 0.020 1 706 160 75 GLN HB2 H 2.106 0.020 2 707 160 75 GLN HB3 H 1.996 0.020 2 708 160 75 GLN HE21 H 7.879 0.020 2 709 160 75 GLN HE22 H 6.898 0.020 2 710 160 75 GLN CA C 54.184 0.300 1 711 160 75 GLN CB C 34.167 0.300 1 712 160 75 GLN N N 113.853 0.300 1 713 160 75 GLN NE2 N 112.708 0.300 1 714 161 76 VAL H H 8.483 0.020 1 715 161 76 VAL HA H 4.872 0.020 1 716 161 76 VAL HB H 2.575 0.020 1 717 161 76 VAL HG1 H 0.898 0.020 2 718 161 76 VAL HG2 H 0.736 0.020 2 719 161 76 VAL CA C 58.974 0.300 1 720 161 76 VAL CB C 33.405 0.300 1 721 161 76 VAL CG1 C 23.400 0.300 1 722 161 76 VAL CG2 C 18.500 0.300 1 723 161 76 VAL N N 113.073 0.300 1 724 162 77 TYR H H 8.442 0.020 1 725 162 77 TYR HA H 5.497 0.020 1 726 162 77 TYR HB2 H 2.541 0.020 1 727 162 77 TYR HB3 H 2.541 0.020 1 728 162 77 TYR HD1 H 6.857 0.020 1 729 162 77 TYR HD2 H 6.857 0.020 1 730 162 77 TYR HE1 H 6.713 0.020 1 731 162 77 TYR HE2 H 6.713 0.020 1 732 162 77 TYR CA C 57.041 0.300 1 733 162 77 TYR CB C 42.147 0.300 1 734 162 77 TYR CD1 C 132.534 0.300 1 735 162 77 TYR CE1 C 118.017 0.300 1 736 162 77 TYR N N 121.506 0.300 1 737 163 78 TYR H H 8.533 0.020 1 738 163 78 TYR HB2 H 2.615 0.020 2 739 163 78 TYR HB3 H 2.369 0.020 2 740 163 78 TYR HD1 H 6.985 0.020 1 741 163 78 TYR HD2 H 6.985 0.020 1 742 163 78 TYR HE1 H 6.428 0.020 1 743 163 78 TYR HE2 H 6.428 0.020 1 744 163 78 TYR CA C 56.213 0.300 1 745 163 78 TYR CB C 40.270 0.300 1 746 163 78 TYR CD1 C 133.592 0.300 1 747 163 78 TYR CE1 C 117.363 0.300 1 748 163 78 TYR N N 111.147 0.300 1 749 164 79 ARG H H 7.999 0.020 1 750 164 79 ARG HA H 4.592 0.020 1 751 164 79 ARG HB2 H 1.632 0.020 1 752 164 79 ARG HB3 H 1.632 0.020 1 753 164 79 ARG HG2 H 1.138 0.020 1 754 164 79 ARG HG3 H 1.138 0.020 1 755 164 79 ARG HD2 H 2.844 0.020 1 756 164 79 ARG HD3 H 2.844 0.020 1 757 164 79 ARG HE H 6.927 0.020 1 758 164 79 ARG CA C 53.140 0.300 1 759 164 79 ARG CB C 29.971 0.300 1 760 164 79 ARG CG C 27.554 0.300 1 761 164 79 ARG CD C 43.437 0.300 1 762 164 79 ARG N N 121.055 0.300 1 763 164 79 ARG NE N 85.070 0.300 1 764 165 80 PRO HA H 4.490 0.020 1 765 165 80 PRO HB2 H 2.446 0.020 2 766 165 80 PRO HB3 H 1.916 0.020 2 767 165 80 PRO CA C 63.264 0.300 1 768 165 80 PRO CB C 32.587 0.300 1 769 166 81 MET H H 8.846 0.020 1 770 166 81 MET HE H 1.568 0.020 1 771 166 81 MET CE C 17.100 0.300 1 772 166 81 MET N N 120.703 0.300 1 773 169 84 TYR HD1 H 7.157 0.020 1 774 169 84 TYR HD2 H 7.157 0.020 1 775 169 84 TYR HE1 H 6.854 0.020 1 776 169 84 TYR HE2 H 6.854 0.020 1 777 169 84 TYR CD1 C 133.050 0.300 1 778 169 84 TYR CE1 C 118.370 0.300 1 779 170 85 SER HA H 4.557 0.020 1 780 170 85 SER HB2 H 3.953 0.020 1 781 170 85 SER HB3 H 3.953 0.020 1 782 170 85 SER CA C 59.140 0.300 1 783 170 85 SER CB C 64.140 0.300 1 784 171 86 ASN HA H 4.751 0.020 1 785 171 86 ASN HB2 H 3.112 0.020 2 786 171 86 ASN HB3 H 3.018 0.020 2 787 171 86 ASN HD21 H 7.517 0.020 2 788 171 86 ASN HD22 H 6.687 0.020 2 789 171 86 ASN CA C 52.388 0.300 1 790 171 86 ASN CB C 39.935 0.300 1 791 171 86 ASN ND2 N 113.431 0.300 1 792 172 87 GLN H H 8.644 0.020 1 793 172 87 GLN HE21 H 6.884 0.020 2 794 172 87 GLN HE22 H 6.832 0.020 2 795 172 87 GLN CA C 59.367 0.300 1 796 172 87 GLN CB C 29.065 0.300 1 797 172 87 GLN CG C 33.477 0.300 1 798 172 87 GLN N N 120.384 0.300 1 799 172 87 GLN NE2 N 110.841 0.300 1 800 173 88 ASN H H 8.343 0.020 1 801 173 88 ASN HA H 4.222 0.020 1 802 173 88 ASN HB2 H 2.727 0.020 2 803 173 88 ASN HB3 H 2.653 0.020 2 804 173 88 ASN HD21 H 7.548 0.020 2 805 173 88 ASN HD22 H 6.906 0.020 2 806 173 88 ASN CA C 56.650 0.300 1 807 173 88 ASN CB C 37.912 0.300 1 808 173 88 ASN N N 116.790 0.300 1 809 173 88 ASN ND2 N 112.660 0.300 1 810 174 89 ASN H H 8.573 0.020 1 811 174 89 ASN HD21 H 7.637 0.020 2 812 174 89 ASN HD22 H 7.093 0.020 2 813 174 89 ASN CA C 56.013 0.300 1 814 174 89 ASN N N 118.443 0.300 1 815 174 89 ASN ND2 N 112.267 0.300 1 816 175 90 PHE HD1 H 7.246 0.020 1 817 175 90 PHE HD2 H 7.246 0.020 1 818 175 90 PHE HE1 H 7.619 0.020 1 819 175 90 PHE HE2 H 7.619 0.020 1 820 175 90 PHE HZ H 6.624 0.020 1 821 175 90 PHE CA C 60.988 0.300 1 822 175 90 PHE CB C 39.335 0.300 1 823 176 91 VAL H H 8.872 0.020 1 824 176 91 VAL HA H 3.482 0.020 1 825 176 91 VAL HB H 2.205 0.020 1 826 176 91 VAL HG1 H 1.018 0.020 2 827 176 91 VAL HG2 H 1.041 0.020 2 828 176 91 VAL CA C 67.760 0.300 1 829 176 91 VAL CB C 32.042 0.300 1 830 176 91 VAL CG1 C 21.600 0.300 1 831 176 91 VAL CG2 C 24.400 0.300 1 832 176 91 VAL N N 120.397 0.300 1 833 177 92 HIS H H 8.325 0.020 1 834 177 92 HIS HA H 4.267 0.020 1 835 177 92 HIS HB2 H 3.281 0.020 2 836 177 92 HIS HB3 H 2.829 0.020 2 837 177 92 HIS CA C 59.401 0.300 1 838 177 92 HIS CB C 28.400 0.300 1 839 177 92 HIS N N 116.896 0.300 1 840 178 93 ASP H H 7.690 0.020 1 841 178 93 ASP HA H 4.507 0.020 1 842 178 93 ASP HB2 H 2.936 0.020 1 843 178 93 ASP HB3 H 2.828 0.020 1 844 178 93 ASP CA C 57.373 0.300 1 845 178 93 ASP CB C 41.219 0.300 1 846 178 93 ASP N N 118.617 0.300 1 847 179 94 CYS H H 8.014 0.020 1 848 179 94 CYS HA H 4.714 0.020 1 849 179 94 CYS HB2 H 3.337 0.020 2 850 179 94 CYS HB3 H 2.968 0.020 2 851 179 94 CYS CA C 58.690 0.300 1 852 179 94 CYS CB C 40.804 0.300 1 853 179 94 CYS N N 119.193 0.300 1 854 180 95 VAL H H 9.061 0.020 1 855 180 95 VAL HA H 3.616 0.020 1 856 180 95 VAL HB H 2.136 0.020 1 857 180 95 VAL HG1 H 0.940 0.020 2 858 180 95 VAL HG2 H 1.055 0.020 2 859 180 95 VAL CA C 66.078 0.300 1 860 180 95 VAL CB C 31.912 0.300 1 861 180 95 VAL CG1 C 21.800 0.300 1 862 180 95 VAL CG2 C 23.449 0.300 1 863 180 95 VAL N N 124.999 0.300 1 864 181 96 ASN H H 7.596 0.020 1 865 181 96 ASN HA H 4.280 0.020 1 866 181 96 ASN HB2 H 2.837 0.020 2 867 181 96 ASN HB3 H 2.762 0.020 2 868 181 96 ASN HD21 H 7.609 0.020 2 869 181 96 ASN HD22 H 6.735 0.020 2 870 181 96 ASN CA C 56.556 0.300 1 871 181 96 ASN CB C 38.908 0.300 1 872 181 96 ASN N N 116.182 0.300 1 873 181 96 ASN ND2 N 111.902 0.300 1 874 182 97 ILE H H 8.678 0.020 1 875 182 97 ILE HA H 3.714 0.020 1 876 182 97 ILE HB H 1.544 0.020 1 877 182 97 ILE HG12 H 0.838 0.020 1 878 182 97 ILE HG13 H 0.838 0.020 1 879 182 97 ILE HG2 H 0.239 0.020 1 880 182 97 ILE HD1 H 0.385 0.020 1 881 182 97 ILE CA C 62.304 0.300 1 882 182 97 ILE CB C 36.703 0.300 1 883 182 97 ILE CG1 C 27.635 0.300 1 884 182 97 ILE CG2 C 18.489 0.300 1 885 182 97 ILE CD1 C 11.600 0.300 1 886 182 97 ILE N N 118.815 0.300 1 887 183 98 THR H H 8.106 0.020 1 888 183 98 THR HA H 4.023 0.020 1 889 183 98 THR HB H 4.467 0.020 1 890 183 98 THR HG2 H 1.428 0.020 1 891 183 98 THR CA C 68.647 0.300 1 892 183 98 THR CB C 68.680 0.300 1 893 183 98 THR CG2 C 22.195 0.300 1 894 183 98 THR N N 118.111 0.300 1 895 184 99 ILE H H 8.430 0.020 1 896 184 99 ILE HA H 3.664 0.020 1 897 184 99 ILE HB H 2.054 0.020 1 898 184 99 ILE HG12 H 1.744 0.020 2 899 184 99 ILE HG13 H 1.205 0.020 2 900 184 99 ILE HG2 H 0.838 0.020 1 901 184 99 ILE HD1 H 0.715 0.020 1 902 184 99 ILE CA C 65.418 0.300 1 903 184 99 ILE CB C 36.531 0.300 1 904 184 99 ILE CG1 C 29.626 0.300 1 905 184 99 ILE CG2 C 16.600 0.300 1 906 184 99 ILE CD1 C 12.700 0.300 1 907 184 99 ILE N N 120.492 0.300 1 908 185 100 LYS H H 8.008 0.020 1 909 185 100 LYS CA C 60.147 0.300 1 910 185 100 LYS CB C 32.429 0.300 1 911 185 100 LYS CG C 25.002 0.300 1 912 185 100 LYS CD C 29.190 0.300 1 913 185 100 LYS CE C 42.226 0.300 1 914 185 100 LYS N N 123.000 0.300 1 915 186 101 GLN H H 8.353 0.020 1 916 186 101 GLN HA H 3.995 0.020 1 917 186 101 GLN HB2 H 1.844 0.020 1 918 186 101 GLN HB3 H 1.844 0.020 1 919 186 101 GLN HG2 H 2.037 0.020 2 920 186 101 GLN HG3 H 1.566 0.020 2 921 186 101 GLN HE21 H 6.722 0.020 2 922 186 101 GLN HE22 H 6.652 0.020 2 923 186 101 GLN CA C 57.741 0.300 1 924 186 101 GLN CB C 28.187 0.300 1 925 186 101 GLN CG C 33.424 0.300 1 926 186 101 GLN N N 116.514 0.300 1 927 186 101 GLN NE2 N 110.064 0.300 1 928 187 102 HIS H H 8.131 0.020 1 929 187 102 HIS HA H 4.593 0.020 1 930 187 102 HIS HB2 H 3.236 0.020 1 931 187 102 HIS HB3 H 3.236 0.020 1 932 187 102 HIS HD2 H 7.001 0.020 1 933 187 102 HIS CA C 58.904 0.300 1 934 187 102 HIS CB C 31.026 0.300 1 935 187 102 HIS CD2 C 121.047 0.300 1 936 187 102 HIS N N 117.714 0.300 1 937 188 103 THR H H 8.208 0.020 1 938 188 103 THR HA H 4.179 0.020 1 939 188 103 THR HB H 4.415 0.020 1 940 188 103 THR HG2 H 1.205 0.020 1 941 188 103 THR CA C 65.160 0.300 1 942 188 103 THR CB C 69.167 0.300 1 943 188 103 THR CG2 C 21.526 0.300 1 944 188 103 THR N N 112.803 0.300 1 945 189 104 VAL H H 7.961 0.020 1 946 189 104 VAL HA H 3.983 0.020 1 947 189 104 VAL HB H 2.195 0.020 1 948 189 104 VAL HG1 H 1.014 0.020 2 949 189 104 VAL HG2 H 0.938 0.020 2 950 189 104 VAL CA C 65.189 0.300 1 951 189 104 VAL CB C 31.981 0.300 1 952 189 104 VAL CG1 C 21.600 0.300 1 953 189 104 VAL CG2 C 21.000 0.300 1 954 189 104 VAL N N 122.231 0.300 1 955 190 105 THR H H 8.064 0.020 1 956 190 105 THR HA H 4.206 0.020 1 957 190 105 THR HB H 4.595 0.020 1 958 190 105 THR HG2 H 1.271 0.020 1 959 190 105 THR CA C 64.314 0.300 1 960 190 105 THR CB C 69.159 0.300 1 961 190 105 THR CG2 C 21.797 0.300 1 962 190 105 THR N N 115.336 0.300 1 963 191 106 THR H H 7.996 0.020 1 964 191 106 THR HA H 4.170 0.020 1 965 191 106 THR HB H 4.740 0.020 1 966 191 106 THR HG2 H 0.992 0.020 1 967 191 106 THR CA C 64.189 0.300 1 968 191 106 THR CB C 69.009 0.300 1 969 191 106 THR CG2 C 21.684 0.300 1 970 191 106 THR N N 114.576 0.300 1 971 192 107 THR H H 8.139 0.020 1 972 192 107 THR HA H 4.359 0.020 1 973 192 107 THR HB H 4.739 0.020 1 974 192 107 THR HG2 H 1.281 0.020 1 975 192 107 THR CA C 64.201 0.300 1 976 192 107 THR CB C 69.159 0.300 1 977 192 107 THR CG2 C 21.640 0.300 1 978 192 107 THR N N 116.916 0.300 1 979 193 108 THR H H 7.843 0.020 1 980 193 108 THR HA H 4.217 0.020 1 981 193 108 THR HB H 4.745 0.020 1 982 193 108 THR HG2 H 1.256 0.020 1 983 193 108 THR CA C 63.839 0.300 1 984 193 108 THR CB C 69.002 0.300 1 985 193 108 THR CG2 C 21.797 0.300 1 986 193 108 THR N N 115.788 0.300 1 987 194 109 LYS H H 7.739 0.020 1 988 194 109 LYS HA H 4.339 0.020 1 989 194 109 LYS HB2 H 1.952 0.020 2 990 194 109 LYS HB3 H 1.796 0.020 2 991 194 109 LYS HG2 H 1.456 0.020 1 992 194 109 LYS HG3 H 1.456 0.020 1 993 194 109 LYS HD2 H 1.638 0.020 1 994 194 109 LYS HD3 H 1.638 0.020 1 995 194 109 LYS HE2 H 2.961 0.020 1 996 194 109 LYS HE3 H 2.961 0.020 1 997 194 109 LYS CA C 56.454 0.300 1 998 194 109 LYS CB C 32.636 0.300 1 999 194 109 LYS CG C 24.860 0.300 1 1000 194 109 LYS CD C 29.180 0.300 1 1001 194 109 LYS CE C 42.218 0.300 1 1002 194 109 LYS N N 120.872 0.300 1 1003 195 110 GLY H H 8.041 0.020 1 1004 195 110 GLY HA2 H 3.609 0.020 2 1005 195 110 GLY HA3 H 3.394 0.020 2 1006 195 110 GLY CA C 45.511 0.300 1 1007 195 110 GLY N N 108.815 0.300 1 1008 196 111 GLU H H 7.605 0.020 1 1009 196 111 GLU HA H 4.209 0.020 1 1010 196 111 GLU HB2 H 1.567 0.020 1 1011 196 111 GLU HB3 H 1.567 0.020 1 1012 196 111 GLU HG2 H 2.069 0.020 2 1013 196 111 GLU HG3 H 1.986 0.020 2 1014 196 111 GLU CA C 55.742 0.300 1 1015 196 111 GLU CB C 30.673 0.300 1 1016 196 111 GLU CG C 35.495 0.300 1 1017 196 111 GLU N N 120.018 0.300 1 1018 197 112 ASN H H 8.389 0.020 1 1019 197 112 ASN HA H 4.621 0.020 1 1020 197 112 ASN HB2 H 2.634 0.020 2 1021 197 112 ASN HB3 H 2.573 0.020 2 1022 197 112 ASN HD21 H 7.483 0.020 2 1023 197 112 ASN HD22 H 6.765 0.020 2 1024 197 112 ASN CA C 52.828 0.300 1 1025 197 112 ASN CB C 40.491 0.300 1 1026 197 112 ASN N N 119.624 0.300 1 1027 197 112 ASN ND2 N 113.082 0.300 1 1028 198 113 PHE H H 8.604 0.020 1 1029 198 113 PHE HA H 5.266 0.020 1 1030 198 113 PHE HB2 H 3.104 0.020 2 1031 198 113 PHE HB3 H 2.899 0.020 2 1032 198 113 PHE HD1 H 7.314 0.020 1 1033 198 113 PHE HD2 H 7.314 0.020 1 1034 198 113 PHE CA C 56.827 0.300 1 1035 198 113 PHE CB C 40.098 0.300 1 1036 198 113 PHE N N 121.886 0.300 1 1037 199 114 THR H H 9.532 0.020 1 1038 199 114 THR HA H 4.604 0.020 1 1039 199 114 THR HB H 4.818 0.020 1 1040 199 114 THR HG2 H 1.405 0.020 1 1041 199 114 THR CA C 60.455 0.300 1 1042 199 114 THR CB C 72.222 0.300 1 1043 199 114 THR CG2 C 21.876 0.300 1 1044 199 114 THR N N 116.137 0.300 1 1045 200 115 GLU H H 9.094 0.020 1 1046 200 115 GLU HA H 4.051 0.020 1 1047 200 115 GLU HB2 H 2.053 0.020 1 1048 200 115 GLU HB3 H 2.112 0.020 1 1049 200 115 GLU HG2 H 2.400 0.020 2 1050 200 115 GLU HG3 H 2.332 0.020 2 1051 200 115 GLU CA C 59.877 0.300 1 1052 200 115 GLU CB C 28.787 0.300 1 1053 200 115 GLU CG C 35.856 0.300 1 1054 200 115 GLU N N 119.964 0.300 1 1055 201 116 THR H H 7.908 0.020 1 1056 201 116 THR HA H 3.777 0.020 1 1057 201 116 THR HB H 3.733 0.020 1 1058 201 116 THR HG2 H 0.687 0.020 1 1059 201 116 THR CA C 66.979 0.300 1 1060 201 116 THR CB C 68.609 0.300 1 1061 201 116 THR CG2 C 21.012 0.300 1 1062 201 116 THR N N 116.175 0.300 1 1063 202 117 ASP H H 7.440 0.020 1 1064 202 117 ASP HA H 4.606 0.020 1 1065 202 117 ASP HB2 H 3.349 0.020 2 1066 202 117 ASP HB3 H 2.621 0.020 2 1067 202 117 ASP CA C 58.057 0.300 1 1068 202 117 ASP CB C 41.747 0.300 1 1069 202 117 ASP N N 119.979 0.300 1 1070 203 118 VAL H H 8.181 0.020 1 1071 203 118 VAL HA H 3.235 0.020 1 1072 203 118 VAL HB H 2.069 0.020 1 1073 203 118 VAL HG1 H 0.864 0.020 2 1074 203 118 VAL HG2 H 0.924 0.020 2 1075 203 118 VAL CA C 67.951 0.300 1 1076 203 118 VAL CB C 31.269 0.300 1 1077 203 118 VAL CG1 C 21.000 0.300 1 1078 203 118 VAL CG2 C 22.700 0.300 1 1079 203 118 VAL N N 119.217 0.300 1 1080 204 119 LYS H H 7.766 0.020 1 1081 204 119 LYS HA H 4.053 0.020 1 1082 204 119 LYS HB2 H 1.948 0.020 2 1083 204 119 LYS HB3 H 1.918 0.020 2 1084 204 119 LYS HG2 H 1.621 0.020 2 1085 204 119 LYS HG3 H 1.439 0.020 2 1086 204 119 LYS HD2 H 1.647 0.020 1 1087 204 119 LYS HD3 H 1.647 0.020 1 1088 204 119 LYS HE2 H 2.918 0.020 1 1089 204 119 LYS HE3 H 2.918 0.020 1 1090 204 119 LYS CA C 59.526 0.300 1 1091 204 119 LYS CB C 32.165 0.300 1 1092 204 119 LYS CG C 25.253 0.300 1 1093 204 119 LYS CD C 29.259 0.300 1 1094 204 119 LYS CE C 41.983 0.300 1 1095 204 119 LYS N N 119.368 0.300 1 1096 205 120 MET H H 8.208 0.020 1 1097 205 120 MET HA H 4.212 0.020 1 1098 205 120 MET HB2 H 2.463 0.020 2 1099 205 120 MET HB3 H 2.063 0.020 2 1100 205 120 MET HG2 H 3.012 0.020 2 1101 205 120 MET HG3 H 2.192 0.020 2 1102 205 120 MET HE H 1.459 0.020 1 1103 205 120 MET CA C 59.932 0.300 1 1104 205 120 MET CB C 33.078 0.300 1 1105 205 120 MET CG C 34.114 0.300 1 1106 205 120 MET CE C 18.290 0.300 1 1107 205 120 MET N N 118.449 0.300 1 1108 206 121 MET H H 8.731 0.020 1 1109 206 121 MET HA H 3.628 0.020 1 1110 206 121 MET HB2 H 1.734 0.020 2 1111 206 121 MET HB3 H 1.560 0.020 2 1112 206 121 MET HG2 H 1.854 0.020 1 1113 206 121 MET HG3 H 1.854 0.020 1 1114 206 121 MET HE H 1.178 0.020 1 1115 206 121 MET CA C 60.147 0.300 1 1116 206 121 MET CB C 32.777 0.300 1 1117 206 121 MET CG C 33.949 0.300 1 1118 206 121 MET CE C 15.730 0.300 1 1119 206 121 MET N N 118.457 0.300 1 1120 207 122 GLU H H 8.650 0.020 1 1121 207 122 GLU HA H 3.672 0.020 1 1122 207 122 GLU HB2 H 2.021 0.020 2 1123 207 122 GLU HB3 H 2.214 0.020 2 1124 207 122 GLU HG2 H 2.529 0.020 2 1125 207 122 GLU HG3 H 2.162 0.020 2 1126 207 122 GLU CA C 60.742 0.300 1 1127 207 122 GLU CB C 28.448 0.300 1 1128 207 122 GLU CG C 35.531 0.300 1 1129 207 122 GLU N N 119.394 0.300 1 1130 208 123 ARG H H 7.205 0.020 1 1131 208 123 ARG HA H 4.163 0.020 1 1132 208 123 ARG HB2 H 2.023 0.020 1 1133 208 123 ARG HB3 H 2.023 0.020 1 1134 208 123 ARG HG2 H 1.830 0.020 2 1135 208 123 ARG HG3 H 1.714 0.020 2 1136 208 123 ARG HD2 H 3.205 0.020 2 1137 208 123 ARG HD3 H 3.110 0.020 2 1138 208 123 ARG HE H 7.218 0.020 1 1139 208 123 ARG CA C 58.283 0.300 1 1140 208 123 ARG CB C 30.101 0.300 1 1141 208 123 ARG CG C 26.953 0.300 1 1142 208 123 ARG CD C 42.693 0.300 1 1143 208 123 ARG N N 117.131 0.300 1 1144 208 123 ARG NE N 83.420 0.300 1 1145 209 124 MET H H 8.377 0.020 1 1146 209 124 MET HA H 3.852 0.020 1 1147 209 124 MET HB2 H 2.534 0.020 2 1148 209 124 MET HB3 H 3.164 0.020 2 1149 209 124 MET HG2 H 2.461 0.020 2 1150 209 124 MET HG3 H 2.234 0.020 2 1151 209 124 MET HE H 2.383 0.020 1 1152 209 124 MET CA C 59.571 0.300 1 1153 209 124 MET CB C 32.042 0.300 1 1154 209 124 MET CG C 34.114 0.300 1 1155 209 124 MET CE C 19.366 0.300 1 1156 209 124 MET N N 120.120 0.300 1 1157 210 125 VAL H H 9.566 0.020 1 1158 210 125 VAL HA H 3.687 0.020 1 1159 210 125 VAL HB H 2.260 0.020 1 1160 210 125 VAL HG1 H 1.197 0.020 2 1161 210 125 VAL HG2 H 0.968 0.020 2 1162 210 125 VAL CA C 66.016 0.300 1 1163 210 125 VAL CB C 31.497 0.300 1 1164 210 125 VAL CG1 C 24.949 0.300 1 1165 210 125 VAL CG2 C 24.525 0.300 1 1166 210 125 VAL N N 119.588 0.300 1 1167 211 126 GLU H H 7.856 0.020 1 1168 211 126 GLU HA H 3.566 0.020 1 1169 211 126 GLU HB2 H 2.136 0.020 1 1170 211 126 GLU HB3 H 2.136 0.020 1 1171 211 126 GLU HG2 H 2.129 0.020 1 1172 211 126 GLU HG3 H 2.129 0.020 1 1173 211 126 GLU CA C 61.072 0.300 1 1174 211 126 GLU CB C 28.921 0.300 1 1175 211 126 GLU CG C 35.846 0.300 1 1176 211 126 GLU N N 121.174 0.300 1 1177 212 127 GLN H H 7.004 0.020 1 1178 212 127 GLN HA H 3.964 0.020 1 1179 212 127 GLN HB2 H 2.142 0.020 2 1180 212 127 GLN HB3 H 2.220 0.020 2 1181 212 127 GLN HG2 H 2.417 0.020 1 1182 212 127 GLN HG3 H 2.417 0.020 1 1183 212 127 GLN HE21 H 7.284 0.020 2 1184 212 127 GLN HE22 H 6.715 0.020 2 1185 212 127 GLN CA C 58.927 0.300 1 1186 212 127 GLN CB C 27.583 0.300 1 1187 212 127 GLN CG C 33.721 0.300 1 1188 212 127 GLN N N 114.809 0.300 1 1189 212 127 GLN NE2 N 115.357 0.300 1 1190 213 128 MET H H 8.015 0.020 1 1191 213 128 MET HA H 4.146 0.020 1 1192 213 128 MET HB2 H 2.465 0.020 1 1193 213 128 MET HB3 H 2.465 0.020 1 1194 213 128 MET HG2 H 2.712 0.020 1 1195 213 128 MET HG3 H 2.712 0.020 1 1196 213 128 MET HE H 1.903 0.020 1 1197 213 128 MET CA C 59.842 0.300 1 1198 213 128 MET CB C 31.911 0.300 1 1199 213 128 MET CE C 16.400 0.300 1 1200 213 128 MET N N 119.613 0.300 1 1201 214 129 CYS H H 9.279 0.020 1 1202 214 129 CYS HA H 4.259 0.020 1 1203 214 129 CYS HB2 H 3.505 0.020 1 1204 214 129 CYS HB3 H 2.868 0.020 1 1205 214 129 CYS CA C 60.011 0.300 1 1206 214 129 CYS CB C 42.063 0.300 1 1207 214 129 CYS N N 119.258 0.300 1 1208 215 130 ILE H H 8.195 0.020 1 1209 215 130 ILE HA H 3.546 0.020 1 1210 215 130 ILE HB H 2.005 0.020 1 1211 215 130 ILE HG12 H 1.971 0.020 2 1212 215 130 ILE HG13 H 0.825 0.020 2 1213 215 130 ILE HG2 H 0.867 0.020 1 1214 215 130 ILE HD1 H 0.822 0.020 1 1215 215 130 ILE CA C 66.428 0.300 1 1216 215 130 ILE CB C 37.814 0.300 1 1217 215 130 ILE CG1 C 30.800 0.300 1 1218 215 130 ILE CG2 C 17.074 0.300 1 1219 215 130 ILE CD1 C 13.900 0.300 1 1220 215 130 ILE N N 123.891 0.300 1 1221 216 131 THR H H 8.091 0.020 1 1222 216 131 THR HA H 3.918 0.020 1 1223 216 131 THR HB H 4.332 0.020 1 1224 216 131 THR HG2 H 1.205 0.020 1 1225 216 131 THR CA C 67.400 0.300 1 1226 216 131 THR CB C 69.608 0.300 1 1227 216 131 THR CG2 C 22.153 0.300 1 1228 216 131 THR N N 118.815 0.300 1 1229 217 132 GLN H H 8.742 0.020 1 1230 217 132 GLN HA H 3.625 0.020 1 1231 217 132 GLN HB2 H 2.263 0.020 2 1232 217 132 GLN HB3 H 2.107 0.020 2 1233 217 132 GLN HE21 H 7.490 0.020 2 1234 217 132 GLN HE22 H 6.862 0.020 2 1235 217 132 GLN CA C 58.622 0.300 1 1236 217 132 GLN CB C 28.134 0.300 1 1237 217 132 GLN N N 122.330 0.300 1 1238 217 132 GLN NE2 N 113.431 0.300 1 1239 218 133 TYR H H 8.565 0.020 1 1240 218 133 TYR HA H 4.532 0.020 1 1241 218 133 TYR HB2 H 3.063 0.020 2 1242 218 133 TYR HB3 H 2.906 0.020 2 1243 218 133 TYR HD1 H 6.170 0.020 1 1244 218 133 TYR HD2 H 6.170 0.020 1 1245 218 133 TYR HE1 H 6.532 0.020 1 1246 218 133 TYR HE2 H 6.532 0.020 1 1247 218 133 TYR CA C 61.976 0.300 1 1248 218 133 TYR CB C 37.912 0.300 1 1249 218 133 TYR CD1 C 132.161 0.300 1 1250 218 133 TYR CE1 C 117.396 0.300 1 1251 218 133 TYR N N 121.548 0.300 1 1252 219 134 GLU H H 8.273 0.020 1 1253 219 134 GLU HA H 3.746 0.020 1 1254 219 134 GLU HB2 H 2.345 0.020 2 1255 219 134 GLU HB3 H 2.051 0.020 2 1256 219 134 GLU HG2 H 2.616 0.020 2 1257 219 134 GLU HG3 H 2.370 0.020 2 1258 219 134 GLU CA C 59.356 0.300 1 1259 219 134 GLU CB C 28.324 0.300 1 1260 219 134 GLU CG C 35.138 0.300 1 1261 219 134 GLU N N 120.789 0.300 1 1262 220 135 ARG H H 7.953 0.020 1 1263 220 135 ARG HA H 3.960 0.020 1 1264 220 135 ARG HB2 H 1.956 0.020 2 1265 220 135 ARG HB3 H 1.817 0.020 2 1266 220 135 ARG HG2 H 1.834 0.020 2 1267 220 135 ARG HG3 H 1.594 0.020 2 1268 220 135 ARG HD2 H 3.054 0.020 2 1269 220 135 ARG HD3 H 2.896 0.020 2 1270 220 135 ARG HE H 7.210 0.020 1 1271 220 135 ARG CA C 59.266 0.300 1 1272 220 135 ARG CB C 30.337 0.300 1 1273 220 135 ARG CG C 26.953 0.300 1 1274 220 135 ARG CD C 44.267 0.300 1 1275 220 135 ARG N N 119.196 0.300 1 1276 220 135 ARG NE N 84.240 0.300 1 1277 221 136 GLU H H 8.319 0.020 1 1278 221 136 GLU HA H 4.008 0.020 1 1279 221 136 GLU HB2 H 2.039 0.020 2 1280 221 136 GLU HB3 H 1.692 0.020 2 1281 221 136 GLU HG2 H 2.365 0.020 2 1282 221 136 GLU HG3 H 2.185 0.020 2 1283 221 136 GLU CA C 57.967 0.300 1 1284 221 136 GLU CB C 29.708 0.300 1 1285 221 136 GLU CG C 36.292 0.300 1 1286 221 136 GLU N N 118.869 0.300 1 1287 222 137 SER H H 8.364 0.020 1 1288 222 137 SER HA H 3.902 0.020 1 1289 222 137 SER HB2 H 3.616 0.020 2 1290 222 137 SER HB3 H 3.410 0.020 2 1291 222 137 SER CA C 61.231 0.300 1 1292 222 137 SER CB C 62.761 0.300 1 1293 222 137 SER N N 115.760 0.300 1 1294 223 138 GLN H H 7.604 0.020 1 1295 223 138 GLN HA H 4.099 0.020 1 1296 223 138 GLN HB2 H 2.079 0.020 1 1297 223 138 GLN HB3 H 2.079 0.020 1 1298 223 138 GLN HG2 H 2.470 0.020 2 1299 223 138 GLN HG3 H 2.368 0.020 2 1300 223 138 GLN HE21 H 7.424 0.020 2 1301 223 138 GLN HE22 H 6.774 0.020 2 1302 223 138 GLN CA C 58.114 0.300 1 1303 223 138 GLN CB C 28.370 0.300 1 1304 223 138 GLN CG C 34.113 0.300 1 1305 223 138 GLN N N 120.369 0.300 1 1306 223 138 GLN NE2 N 111.818 0.300 1 1307 224 139 ALA H H 7.505 0.020 1 1308 224 139 ALA HA H 4.152 0.020 1 1309 224 139 ALA HB H 1.374 0.020 1 1310 224 139 ALA CA C 54.154 0.300 1 1311 224 139 ALA CB C 18.645 0.300 1 1312 224 139 ALA N N 120.824 0.300 1 1313 225 140 TYR H H 7.990 0.020 1 1314 225 140 TYR HA H 4.172 0.020 1 1315 225 140 TYR HB2 H 2.983 0.020 2 1316 225 140 TYR HB3 H 2.796 0.020 2 1317 225 140 TYR HD1 H 6.674 0.020 1 1318 225 140 TYR HD2 H 6.674 0.020 1 1319 225 140 TYR HE1 H 6.648 0.020 1 1320 225 140 TYR HE2 H 6.648 0.020 1 1321 225 140 TYR CA C 60.252 0.300 1 1322 225 140 TYR CB C 38.994 0.300 1 1323 225 140 TYR CD1 C 132.703 0.300 1 1324 225 140 TYR CE1 C 117.576 0.300 1 1325 225 140 TYR N N 119.164 0.300 1 1326 226 141 TYR H H 7.897 0.020 1 1327 226 141 TYR HA H 4.355 0.020 1 1328 226 141 TYR HB2 H 3.121 0.020 2 1329 226 141 TYR HB3 H 2.919 0.020 2 1330 226 141 TYR HD1 H 7.163 0.020 1 1331 226 141 TYR HD2 H 7.163 0.020 1 1332 226 141 TYR HE1 H 6.825 0.020 1 1333 226 141 TYR HE2 H 6.825 0.020 1 1334 226 141 TYR CA C 59.120 0.300 1 1335 226 141 TYR CB C 38.207 0.300 1 1336 226 141 TYR CD1 C 132.916 0.300 1 1337 226 141 TYR CE1 C 117.697 0.300 1 1338 226 141 TYR N N 118.218 0.300 1 1339 227 142 GLN H H 7.847 0.020 1 1340 227 142 GLN HA H 4.213 0.020 1 1341 227 142 GLN HB2 H 2.103 0.020 2 1342 227 142 GLN HB3 H 2.020 0.020 2 1343 227 142 GLN HG2 H 2.341 0.020 1 1344 227 142 GLN HG3 H 2.341 0.020 1 1345 227 142 GLN HE21 H 7.512 0.020 2 1346 227 142 GLN HE22 H 6.797 0.020 2 1347 227 142 GLN CA C 56.350 0.300 1 1348 227 142 GLN CB C 28.912 0.300 1 1349 227 142 GLN CG C 33.957 0.300 1 1350 227 142 GLN N N 119.608 0.300 1 1351 227 142 GLN NE2 N 112.598 0.300 1 1352 228 143 ARG H H 7.947 0.020 1 1353 228 143 ARG HA H 4.244 0.020 1 1354 228 143 ARG HB2 H 1.812 0.020 2 1355 228 143 ARG HB3 H 1.789 0.020 2 1356 228 143 ARG HG2 H 1.654 0.020 2 1357 228 143 ARG HG3 H 1.610 0.020 2 1358 228 143 ARG HD2 H 3.131 0.020 1 1359 228 143 ARG HD3 H 3.131 0.020 1 1360 228 143 ARG HE H 7.127 0.020 1 1361 228 143 ARG CA C 56.793 0.300 1 1362 228 143 ARG CB C 30.731 0.300 1 1363 228 143 ARG CG C 27.111 0.300 1 1364 228 143 ARG CD C 43.559 0.300 1 1365 228 143 ARG N N 120.799 0.300 1 1366 228 143 ARG NE N 84.810 0.300 1 1367 229 144 GLY H H 8.244 0.020 1 1368 229 144 GLY HA2 H 3.960 0.020 1 1369 229 144 GLY HA3 H 3.960 0.020 1 1370 229 144 GLY CA C 45.296 0.300 1 1371 229 144 GLY N N 109.550 0.300 1 1372 230 145 SER H H 8.117 0.020 1 1373 230 145 SER HA H 4.471 0.020 1 1374 230 145 SER HB2 H 3.865 0.020 1 1375 230 145 SER HB3 H 3.865 0.020 1 1376 230 145 SER CA C 58.249 0.300 1 1377 230 145 SER CB C 64.256 0.300 1 1378 230 145 SER N N 115.760 0.300 1 1379 231 146 SER H H 7.944 0.020 1 1380 231 146 SER HA H 4.282 0.020 1 1381 231 146 SER HB2 H 3.843 0.020 1 1382 231 146 SER HB3 H 3.843 0.020 1 1383 231 146 SER CA C 60.050 0.300 1 1384 231 146 SER CB C 64.880 0.300 1 1385 231 146 SER N N 122.707 0.300 1 stop_ save_