data_16743 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Three dimensional structure of HuPrP(90-231 M129 Q212P) ; _BMRB_accession_number 16743 _BMRB_flat_file_name bmr16743.str _Entry_type original _Submission_date 2010-02-23 _Accession_date 2010-02-23 _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 Ilc Gregor . . 2 Giachin Gabriele . . 3 Jaremko Mariusz . . 4 Jaremko Lukasz . . 5 Zhukov Igor . . 6 Plavec Janez . . 7 Legname Guiseppe . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 822 "13C chemical shifts" 610 "15N chemical shifts" 147 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-09-02 original author . stop_ _Original_release_date 2010-09-02 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'NMR structure of the human prion protein with the pathological Q212P mutation reveals unique structural features' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 20661422 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Ilc Gregor . . 2 Giachin Gabriele . . 3 Jaremko Mariusz . . 4 Jaremko Lukasz . . 5 Benetti Federico . . 6 Plavec Janez . . 7 Zhukov Igor . . 8 Legname Guiseppe . . stop_ _Journal_abbreviation 'PLoS One' _Journal_volume 5 _Journal_issue 7 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first e11715 _Page_last e11715 _Year 2010 _Details . loop_ _Keyword 'Gerstmann-Straussler-Scheinker syndrome' 'human prion' 'NMR spectroscopy' 'protein structure' 'spongiform encephalopathies' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'HuPrP(90-231 M129 Q212P)' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'HuPrP(90-231 M129 Q212P)' $entity 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_entity _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'HuPrP(90-231 M129 Q212P)' _Molecular_mass 16966.982 _Mol_thiol_state 'all disulfide bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 148 _Mol_residue_sequence ; GQGGGTHSQWNKPSKPKTNM KHMAGAAAAGAVVGGLGGYM LGSAMSRPIIHFGSDYEDRY YRENMHRYPNQVYYRPMDEY SNQNNFVHDCVNITIKQHTV TTTTKGENFTETDVKMMERV VEPMCITQYERESQAYYQRG SSHHHHHH ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 90 GLY 2 91 GLN 3 92 GLY 4 93 GLY 5 94 GLY 6 95 THR 7 96 HIS 8 97 SER 9 98 GLN 10 99 TRP 11 100 ASN 12 101 LYS 13 102 PRO 14 103 SER 15 104 LYS 16 105 PRO 17 106 LYS 18 107 THR 19 108 ASN 20 109 MET 21 110 LYS 22 111 HIS 23 112 MET 24 113 ALA 25 114 GLY 26 115 ALA 27 116 ALA 28 117 ALA 29 118 ALA 30 119 GLY 31 120 ALA 32 121 VAL 33 122 VAL 34 123 GLY 35 124 GLY 36 125 LEU 37 126 GLY 38 127 GLY 39 128 TYR 40 129 MET 41 130 LEU 42 131 GLY 43 132 SER 44 133 ALA 45 134 MET 46 135 SER 47 136 ARG 48 137 PRO 49 138 ILE 50 139 ILE 51 140 HIS 52 141 PHE 53 142 GLY 54 143 SER 55 144 ASP 56 145 TYR 57 146 GLU 58 147 ASP 59 148 ARG 60 149 TYR 61 150 TYR 62 151 ARG 63 152 GLU 64 153 ASN 65 154 MET 66 155 HIS 67 156 ARG 68 157 TYR 69 158 PRO 70 159 ASN 71 160 GLN 72 161 VAL 73 162 TYR 74 163 TYR 75 164 ARG 76 165 PRO 77 166 MET 78 167 ASP 79 168 GLU 80 169 TYR 81 170 SER 82 171 ASN 83 172 GLN 84 173 ASN 85 174 ASN 86 175 PHE 87 176 VAL 88 177 HIS 89 178 ASP 90 179 CYS 91 180 VAL 92 181 ASN 93 182 ILE 94 183 THR 95 184 ILE 96 185 LYS 97 186 GLN 98 187 HIS 99 188 THR 100 189 VAL 101 190 THR 102 191 THR 103 192 THR 104 193 THR 105 194 LYS 106 195 GLY 107 196 GLU 108 197 ASN 109 198 PHE 110 199 THR 111 200 GLU 112 201 THR 113 202 ASP 114 203 VAL 115 204 LYS 116 205 MET 117 206 MET 118 207 GLU 119 208 ARG 120 209 VAL 121 210 VAL 122 211 GLU 123 212 PRO 124 213 MET 125 214 CYS 126 215 ILE 127 216 THR 128 217 GLN 129 218 TYR 130 219 GLU 131 220 ARG 132 221 GLU 133 222 SER 134 223 GLN 135 224 ALA 136 225 TYR 137 226 TYR 138 227 GLN 139 228 ARG 140 229 GLY 141 230 SER 142 231 SER 143 232 HIS 144 233 HIS 145 234 HIS 146 235 HIS 147 236 HIS 148 237 HIS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-29 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 95.95 146 97.89 99.30 6.50e-99 BMRB 16757 PrP^(91-231) 95.95 145 97.18 99.30 2.11e-98 BMRB 17714 HuPrP 95.95 147 98.59 99.30 4.15e-100 BMRB 17756 hPrP(121-230) 74.32 113 99.09 99.09 2.32e-74 BMRB 17757 hPrP(121-230) 74.32 113 97.27 97.27 1.84e-71 BMRB 17780 Hpp_E219K 95.95 142 98.59 99.30 5.67e-100 BMRB 18426 entity 95.95 142 99.30 99.30 1.45e-100 BMRB 18550 V210I 95.95 147 98.59 99.30 4.15e-100 BMRB 19268 MAJOR_PRION_PROTEIN 95.95 146 98.59 99.30 9.82e-100 BMRB 4379 "human prion protein" 75.68 112 98.21 99.11 1.17e-75 BMRB 4402 "human prion protein" 95.27 210 99.29 99.29 3.91e-98 BMRB 4434 "human prion protein" 95.27 143 99.29 99.29 6.69e-100 BMRB 4620 "prion protein" 75.68 112 97.32 99.11 3.19e-75 BMRB 4641 "PRION PROTEIN" 95.95 146 98.59 99.30 9.20e-100 BMRB 4736 "human prion protein" 75.68 112 97.32 99.11 5.45e-75 PDB 1E1G "Human Prion Protein Variant M166v" 69.59 104 98.06 99.03 1.26e-68 PDB 1E1J "Human Prion Protein Variant M166v" 69.59 104 98.06 99.03 1.26e-68 PDB 1E1P "Human Prion Protein Variant S170n" 69.59 104 98.06 99.03 1.25e-68 PDB 1E1S "Human Prion Protein Variant S170n" 69.59 104 98.06 99.03 1.25e-68 PDB 1E1U "Human Prion Protein Variant R220k" 69.59 104 98.06 99.03 7.38e-69 PDB 1E1W "Human Prion Protein Variant R220k" 69.59 104 98.06 99.03 7.38e-69 PDB 1FKC "Human Prion Protein (Mutant E200k) Fragment 90-231" 95.95 142 98.59 99.30 5.67e-100 PDB 1FO7 "Human Prion Protein Mutant E200k Fragment 90-231" 95.95 142 98.59 99.30 5.67e-100 PDB 1HJM "Human Prion Protein At Ph 7.0" 69.59 104 99.03 99.03 2.71e-69 PDB 1HJN "Human Prion Protein At Ph 7.0" 69.59 104 99.03 99.03 2.71e-69 PDB 1I4M "Crystal Structure Of The Human Prion Protein Reveals A Mechanism For Oligomerization" 72.97 108 99.07 99.07 4.07e-73 PDB 1QLX "Human Prion Protein" 95.27 210 99.29 99.29 3.91e-98 PDB 1QLZ "Human Prion Protein" 95.27 210 99.29 99.29 3.91e-98 PDB 1QM0 "Human Prion Protein Fragment 90-230" 95.27 143 99.29 99.29 6.69e-100 PDB 1QM1 "Human Prion Protein Fragment 90-230" 95.27 143 99.29 99.29 6.69e-100 PDB 1QM2 "Human Prion Protein Fragment 121-230" 75.68 112 98.21 99.11 1.17e-75 PDB 1QM3 "Human Prion Protein Fragment 121-230" 75.68 112 98.21 99.11 1.17e-75 PDB 2K1D "Nmr Studies Of A Pathogenic Mutant (d178n) Of The Human Prion Protein" 95.95 146 97.89 99.30 6.50e-99 PDB 2KUN "Three Dimensional Structure Of Huprp(90-231 M129 Q212p)" 100.00 148 100.00 100.00 1.31e-106 PDB 2LEJ "Human Prion Protein Mutant Huprp(90-231, M129, V210i)" 95.95 147 98.59 99.30 4.15e-100 PDB 2LFT "Human Prion Protein With E219k Protective Polymorphism" 95.95 142 98.59 99.30 5.67e-100 PDB 2LSB "Solution-State Nmr Structure Of The Human Prion Protein" 95.95 142 99.30 99.30 1.45e-100 PDB 2LV1 "Solution-state Nmr Structure Of Prion Protein Mutant V210i At Neutral Ph" 95.95 147 98.59 99.30 4.15e-100 PDB 2M8T "Solution Nmr Structure Of The V209m Variant Of The Human Prion Protein (residues 90-231)" 95.95 146 98.59 99.30 9.82e-100 PDB 2W9E "Structure Of Icsm 18 (Anti-Prp Therapeutic Antibody) Fab Fragment Complexed With Human Prp Fragment 119-231" 76.35 113 99.12 99.12 6.50e-77 PDB 3HAF "Human Prion Protein Variant V129 Domain Swapped Dimer" 95.95 142 98.59 99.30 7.21e-100 PDB 3HAK "Human Prion Protein Variant V129" 69.59 103 98.06 99.03 1.07e-68 PDB 3HEQ "Human Prion Protein Variant D178n With M129" 95.95 142 98.59 99.30 8.69e-100 PDB 3HER "Human Prion Protein Variant F198s With V129" 95.95 142 97.89 98.59 1.16e-98 PDB 3HES "Human Prion Protein Variant F198s With M129" 95.95 142 98.59 98.59 3.19e-99 PDB 3HJ5 "Human Prion Protein Variant V129 Domain Swapped Dimer" 95.95 142 98.59 99.30 7.21e-100 PDB 3HJX "Human Prion Protein Variant D178n With V129" 71.62 106 97.17 99.06 4.62e-70 PDB 4DGI "Structure Of Pom1 Fab Fragment Complexed With Human Prpc Fragment 120- 230" 75.00 111 99.10 99.10 2.14e-75 PDB 4KML "Probing The N-terminal Beta-sheet Conversion In The Crystal Structure Of The Full-length Human Prion Protein Bound To A Nanobod" 95.95 241 99.30 99.30 2.31e-98 PDB 4N9O "Probing The N-terminal Beta-sheet Conversion In The Crystal Structure Of The Human Prion Protein Bound To A Nanobody" 95.95 142 99.30 99.30 1.45e-100 DBJ BAA00011 "prion protein [Homo sapiens]" 95.95 245 98.59 98.59 8.15e-96 DBJ BAF62360 "prion protein, transcript variant 2 [Pan troglodytes verus]" 95.95 253 97.89 99.30 6.04e-97 DBJ BAG32276 "prion [Homo sapiens]" 95.95 253 99.30 99.30 4.28e-98 DBJ BAG32277 "prion [Homo sapiens]" 95.95 253 98.59 99.30 1.73e-97 DBJ BAG32278 "alternatively spliced variant form of prion [Homo sapiens]" 86.49 230 99.22 99.22 1.19e-87 EMBL CAA58442 "prion protein [Homo sapiens]" 95.95 245 99.30 99.30 2.94e-98 EMBL CAG46836 "PRNP [Homo sapiens]" 95.95 253 97.89 98.59 4.19e-95 EMBL CAG46869 "PRNP [Homo sapiens]" 95.95 253 98.59 99.30 1.73e-97 GB AAA19664 "prion protein [Homo sapiens]" 95.95 245 98.59 98.59 8.15e-96 GB AAA60182 "prion protein [Homo sapiens]" 95.95 253 99.30 99.30 4.28e-98 GB AAA68632 "major prion protein precursor [Pan troglodytes]" 95.95 253 97.89 99.30 6.04e-97 GB AAA68633 "major prion protein precursor [Gorilla gorilla]" 95.95 253 98.59 99.30 8.97e-98 GB AAB59442 "prion protein, partial [Homo sapiens]" 95.95 224 99.30 99.30 2.36e-98 REF NP_000302 "major prion protein preproprotein [Homo sapiens]" 95.95 253 99.30 99.30 4.28e-98 REF NP_001009093 "major prion protein preproprotein [Pan troglodytes]" 95.95 253 97.89 99.30 6.04e-97 REF NP_001073590 "major prion protein preproprotein [Homo sapiens]" 95.95 253 99.30 99.30 4.28e-98 REF NP_001073591 "major prion protein preproprotein [Homo sapiens]" 95.95 253 99.30 99.30 4.28e-98 REF NP_001073592 "major prion protein preproprotein [Homo sapiens]" 95.95 253 99.30 99.30 4.28e-98 SP P04156 "RecName: Full=Major prion protein; Short=PrP; AltName: Full=ASCR; AltName: Full=PrP27-30; AltName: Full=PrP33-35C; AltName: CD_" 95.95 253 99.30 99.30 4.28e-98 SP P40252 "RecName: Full=Major prion protein; Short=PrP; AltName: Full=PrP27-30; AltName: Full=PrP33-35C; AltName: CD_antigen=CD230; Flags" 95.95 253 98.59 99.30 1.31e-97 SP P61766 "RecName: Full=Major prion protein; Short=PrP; AltName: Full=PrP27-30; AltName: Full=PrP33-35C; AltName: CD_antigen=CD230; Flags" 95.95 253 97.89 99.30 6.04e-97 SP P61767 "RecName: Full=Major prion protein; Short=PrP; AltName: Full=PrP27-30; AltName: Full=PrP33-35C; AltName: CD_antigen=CD230; Flags" 95.95 253 97.89 99.30 6.04e-97 SP P61768 "RecName: Full=Major prion protein; Short=PrP; AltName: Full=PrP27-30; AltName: Full=PrP33-35C; AltName: CD_antigen=CD230; Flags" 95.95 253 97.89 99.30 6.04e-97 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity 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 $entity 'recombinant technology' . Escherichia coli . pET-11a stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity 1.0 mM '[U-98% 13C; U-98% 15N]' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' NaCl 150 mM 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity 1.0 mM '[U-98% 13C; U-98% 15N]' D2O 100 % 'natural abundance' NaCl 150 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' 'peak picking' 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 refinement 'structure solution' stop_ _Details . save_ save_CARA _Saveframe_category software _Name CARA _Version . loop_ _Vendor _Address _Electronic_address 'Keller and Wuthrich' . . stop_ loop_ _Task 'chemical shift assignment' 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_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model 'Uniform NMR System' _Field_strength 700 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_HNCO_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_2 save_ save_3D_CCH-TOCSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CCH-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' 150 . mM 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' 150 . mM pH 5.1 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' 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 'HuPrP(90-231 M129 Q212P)' _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 90 1 GLY HA2 H 3.958 0.020 2 2 90 1 GLY HA3 H 3.960 0.020 2 3 90 1 GLY C C 174.559 0.300 1 4 90 1 GLY CA C 45.103 0.300 1 5 91 2 GLN H H 8.391 0.020 1 6 91 2 GLN HA H 4.367 0.020 1 7 91 2 GLN HB2 H 2.024 0.020 2 8 91 2 GLN HB3 H 2.087 0.020 2 9 91 2 GLN HG2 H 2.325 0.020 2 10 91 2 GLN HG3 H 2.330 0.020 2 11 91 2 GLN C C 176.521 0.300 1 12 91 2 GLN CA C 56.068 0.300 1 13 91 2 GLN CB C 29.169 0.300 1 14 91 2 GLN CG C 33.722 0.300 1 15 91 2 GLN N N 119.894 0.300 1 16 92 3 GLY H H 8.639 0.020 1 17 92 3 GLY HA2 H 3.959 0.020 1 18 92 3 GLY HA3 H 3.959 0.020 1 19 92 3 GLY C C 174.747 0.300 1 20 92 3 GLY CA C 45.357 0.300 1 21 92 3 GLY N N 110.841 0.300 1 22 93 4 GLY H H 8.372 0.020 1 23 93 4 GLY HA2 H 3.900 0.020 2 24 93 4 GLY HA3 H 4.018 0.020 2 25 93 4 GLY C C 174.761 0.300 1 26 93 4 GLY CA C 45.243 0.300 1 27 93 4 GLY N N 108.861 0.300 1 28 94 5 GLY H H 8.369 0.020 1 29 94 5 GLY HA2 H 3.950 0.020 2 30 94 5 GLY HA3 H 3.900 0.020 2 31 94 5 GLY C C 174.574 0.300 1 32 94 5 GLY CA C 45.213 0.300 1 33 94 5 GLY N N 108.912 0.300 1 34 95 6 THR H H 8.140 0.020 1 35 95 6 THR HA H 4.241 0.020 1 36 95 6 THR HB H 4.120 0.020 1 37 95 6 THR HG2 H 1.101 0.020 1 38 95 6 THR C C 174.700 0.300 1 39 95 6 THR CA C 61.987 0.300 1 40 95 6 THR CB C 69.661 0.300 1 41 95 6 THR CG2 C 21.477 0.300 1 42 95 6 THR N N 113.524 0.300 1 43 96 7 HIS H H 8.527 0.020 1 44 96 7 HIS HA H 4.634 0.020 1 45 96 7 HIS HB2 H 3.150 0.020 2 46 96 7 HIS HB3 H 3.147 0.020 2 47 96 7 HIS HD2 H 7.163 0.020 1 48 96 7 HIS C C 174.794 0.300 1 49 96 7 HIS CA C 55.724 0.300 1 50 96 7 HIS CB C 29.520 0.300 1 51 96 7 HIS CD2 C 119.924 0.300 1 52 96 7 HIS N N 120.945 0.300 1 53 97 8 SER H H 8.294 0.020 1 54 97 8 SER HA H 4.390 0.020 1 55 97 8 SER HB2 H 3.708 0.020 2 56 97 8 SER HB3 H 3.758 0.020 2 57 97 8 SER C C 174.559 0.300 1 58 97 8 SER CA C 58.525 0.300 1 59 97 8 SER CB C 63.616 0.300 1 60 97 8 SER N N 117.012 0.300 1 61 98 9 GLN H H 8.472 0.020 1 62 98 9 GLN HA H 4.229 0.020 1 63 98 9 GLN HB2 H 1.818 0.020 2 64 98 9 GLN HB3 H 1.908 0.020 2 65 98 9 GLN HG2 H 2.099 0.020 1 66 98 9 GLN HG3 H 2.099 0.020 1 67 98 9 GLN C C 175.658 0.300 1 68 98 9 GLN CA C 56.076 0.300 1 69 98 9 GLN CB C 29.169 0.300 1 70 98 9 GLN CG C 33.503 0.300 1 71 98 9 GLN N N 122.044 0.300 1 72 99 10 TRP H H 8.100 0.020 1 73 99 10 TRP HA H 4.631 0.020 1 74 99 10 TRP HB2 H 3.155 0.020 2 75 99 10 TRP HB3 H 3.262 0.020 2 76 99 10 TRP HD1 H 7.244 0.020 1 77 99 10 TRP HE1 H 10.120 0.020 1 78 99 10 TRP HE3 H 7.608 0.020 1 79 99 10 TRP HH2 H 7.218 0.020 1 80 99 10 TRP HZ2 H 7.464 0.020 1 81 99 10 TRP HZ3 H 7.131 0.020 1 82 99 10 TRP C C 175.752 0.300 1 83 99 10 TRP CA C 57.124 0.300 1 84 99 10 TRP CB C 29.466 0.300 1 85 99 10 TRP CD1 C 126.860 0.300 1 86 99 10 TRP CE3 C 120.829 0.300 1 87 99 10 TRP CH2 C 124.575 0.300 1 88 99 10 TRP CZ2 C 114.493 0.300 1 89 99 10 TRP CZ3 C 121.967 0.300 1 90 99 10 TRP N N 121.625 0.300 1 91 99 10 TRP NE1 N 129.334 0.300 1 92 100 11 ASN H H 8.109 0.020 1 93 100 11 ASN HA H 4.564 0.020 1 94 100 11 ASN HB2 H 2.485 0.020 2 95 100 11 ASN HB3 H 2.514 0.020 2 96 100 11 ASN C C 174.229 0.300 1 97 100 11 ASN CA C 52.722 0.300 1 98 100 11 ASN CB C 38.797 0.300 1 99 100 11 ASN N N 120.594 0.300 1 100 101 12 LYS H H 7.989 0.020 1 101 101 12 LYS HA H 4.405 0.020 1 102 101 12 LYS HB2 H 1.668 0.020 2 103 101 12 LYS HB3 H 1.723 0.020 2 104 101 12 LYS HD2 H 1.641 0.020 2 105 101 12 LYS HD3 H 1.643 0.020 2 106 101 12 LYS HE2 H 2.874 0.020 1 107 101 12 LYS HE3 H 2.874 0.020 1 108 101 12 LYS HG2 H 1.328 0.020 1 109 101 12 LYS HG3 H 1.328 0.020 1 110 101 12 LYS CA C 54.181 0.300 1 111 101 12 LYS CB C 32.615 0.300 1 112 101 12 LYS CD C 29.100 0.300 1 113 101 12 LYS CE C 41.828 0.300 1 114 101 12 LYS CG C 24.552 0.300 1 115 101 12 LYS N N 122.623 0.300 1 116 102 13 PRO HA H 4.391 0.020 1 117 102 13 PRO HB2 H 1.855 0.020 2 118 102 13 PRO HB3 H 2.250 0.020 2 119 102 13 PRO HD2 H 3.584 0.020 2 120 102 13 PRO HD3 H 3.730 0.020 2 121 102 13 PRO HG2 H 1.970 0.020 1 122 102 13 PRO HG3 H 1.970 0.020 1 123 102 13 PRO C C 176.914 0.300 1 124 102 13 PRO CA C 63.104 0.300 1 125 102 13 PRO CB C 32.206 0.300 1 126 102 13 PRO CD C 50.706 0.300 1 127 102 13 PRO CG C 27.394 0.300 1 128 103 14 SER H H 8.425 0.020 1 129 103 14 SER HA H 4.388 0.020 1 130 103 14 SER HB2 H 3.790 0.020 2 131 103 14 SER HB3 H 3.832 0.020 2 132 103 14 SER C C 174.135 0.300 1 133 103 14 SER CA C 58.065 0.300 1 134 103 14 SER CB C 63.993 0.300 1 135 103 14 SER N N 116.836 0.300 1 136 104 15 LYS H H 8.332 0.020 1 137 104 15 LYS HA H 4.581 0.020 1 138 104 15 LYS HB2 H 1.834 0.020 2 139 104 15 LYS HB3 H 1.969 0.020 2 140 104 15 LYS HD2 H 1.633 0.020 1 141 104 15 LYS HD3 H 1.633 0.020 1 142 104 15 LYS HE2 H 2.898 0.020 2 143 104 15 LYS HE3 H 2.910 0.020 2 144 104 15 LYS HG2 H 1.446 0.020 2 145 104 15 LYS HG3 H 1.456 0.020 2 146 104 15 LYS CA C 54.205 0.300 1 147 104 15 LYS CB C 32.604 0.300 1 148 104 15 LYS CD C 29.039 0.300 1 149 104 15 LYS CE C 41.900 0.300 1 150 104 15 LYS CG C 24.913 0.300 1 151 104 15 LYS N N 124.198 0.300 1 152 105 16 PRO HA H 4.371 0.020 1 153 105 16 PRO HB2 H 1.873 0.020 2 154 105 16 PRO HB3 H 2.258 0.020 2 155 105 16 PRO HD2 H 3.781 0.020 2 156 105 16 PRO HD3 H 3.588 0.020 2 157 105 16 PRO HG2 H 1.961 0.020 2 158 105 16 PRO HG3 H 1.970 0.020 2 159 105 16 PRO C C 176.851 0.300 1 160 105 16 PRO CA C 63.061 0.300 1 161 105 16 PRO CB C 32.159 0.300 1 162 105 16 PRO CD C 50.729 0.300 1 163 105 16 PRO CG C 27.584 0.300 1 164 106 17 LYS H H 8.522 0.020 1 165 106 17 LYS HA H 4.297 0.020 1 166 106 17 LYS HB2 H 1.819 0.020 1 167 106 17 LYS HB3 H 1.819 0.020 1 168 106 17 LYS HD2 H 1.625 0.020 2 169 106 17 LYS HD3 H 1.647 0.020 2 170 106 17 LYS HE2 H 2.928 0.020 2 171 106 17 LYS HE3 H 2.957 0.020 2 172 106 17 LYS HG2 H 1.436 0.020 2 173 106 17 LYS HG3 H 1.460 0.020 2 174 106 17 LYS C C 176.867 0.300 1 175 106 17 LYS CA C 56.375 0.300 1 176 106 17 LYS CB C 32.971 0.300 1 177 106 17 LYS CD C 28.993 0.300 1 178 106 17 LYS CE C 42.026 0.300 1 179 106 17 LYS CG C 24.733 0.300 1 180 106 17 LYS N N 122.045 0.300 1 181 107 18 THR H H 8.149 0.020 1 182 107 18 THR HA H 4.284 0.020 1 183 107 18 THR HB H 4.126 0.020 1 184 107 18 THR HG2 H 1.140 0.020 1 185 107 18 THR C C 173.988 0.300 1 186 107 18 THR CA C 61.582 0.300 1 187 107 18 THR CB C 69.855 0.300 1 188 107 18 THR CG2 C 21.556 0.300 1 189 107 18 THR N N 115.231 0.300 1 190 108 19 ASN H H 8.541 0.020 1 191 108 19 ASN HA H 4.673 0.020 1 192 108 19 ASN HB2 H 2.719 0.020 2 193 108 19 ASN HB3 H 2.788 0.020 2 194 108 19 ASN HD21 H 7.603 0.020 1 195 108 19 ASN HD22 H 6.910 0.020 1 196 108 19 ASN C C 175.108 0.300 1 197 108 19 ASN CA C 53.071 0.300 1 198 108 19 ASN CB C 38.770 0.300 1 199 108 19 ASN N N 121.306 0.300 1 200 108 19 ASN ND2 N 112.371 0.300 1 201 109 20 MET H H 8.353 0.020 1 202 109 20 MET HA H 4.407 0.020 1 203 109 20 MET HB2 H 1.912 0.020 2 204 109 20 MET HB3 H 2.015 0.020 2 205 109 20 MET HE H 2.037 0.020 1 206 109 20 MET HG2 H 2.496 0.020 2 207 109 20 MET HG3 H 2.496 0.020 2 208 109 20 MET C C 176.176 0.300 1 209 109 20 MET CA C 55.519 0.300 1 210 109 20 MET CB C 32.764 0.300 1 211 109 20 MET CE C 16.989 0.300 1 212 109 20 MET CG C 31.933 0.300 1 213 109 20 MET N N 121.240 0.300 1 214 110 21 LYS H H 8.309 0.020 1 215 110 21 LYS HA H 4.191 0.020 1 216 110 21 LYS HB2 H 1.683 0.020 2 217 110 21 LYS HB3 H 1.707 0.020 2 218 110 21 LYS HD2 H 1.571 0.020 2 219 110 21 LYS HD3 H 1.583 0.020 2 220 110 21 LYS HE2 H 2.888 0.020 1 221 110 21 LYS HE3 H 2.888 0.020 1 222 110 21 LYS HG2 H 1.332 0.020 2 223 110 21 LYS HG3 H 1.343 0.020 2 224 110 21 LYS C C 176.286 0.300 1 225 110 21 LYS CA C 56.549 0.300 1 226 110 21 LYS CB C 32.951 0.300 1 227 110 21 LYS CD C 28.971 0.300 1 228 110 21 LYS CE C 41.941 0.300 1 229 110 21 LYS CG C 24.648 0.300 1 230 110 21 LYS N N 122.226 0.300 1 231 111 22 HIS H H 8.436 0.020 1 232 111 22 HIS HA H 4.576 0.020 1 233 111 22 HIS HB2 H 3.059 0.020 2 234 111 22 HIS HB3 H 3.169 0.020 2 235 111 22 HIS HD2 H 7.160 0.020 1 236 111 22 HIS C C 174.669 0.300 1 237 111 22 HIS CA C 55.719 0.300 1 238 111 22 HIS CB C 29.681 0.300 1 239 111 22 HIS CD2 C 119.918 0.300 1 240 111 22 HIS N N 119.978 0.300 1 241 112 23 MET H H 8.348 0.020 1 242 112 23 MET HA H 4.414 0.020 1 243 112 23 MET HB2 H 1.911 0.020 2 244 112 23 MET HB3 H 2.018 0.020 2 245 112 23 MET HE H 2.033 0.020 1 246 112 23 MET HG2 H 2.497 0.020 2 247 112 23 MET HG3 H 2.414 0.020 2 248 112 23 MET C C 175.705 0.300 1 249 112 23 MET CA C 55.162 0.300 1 250 112 23 MET CB C 32.907 0.300 1 251 112 23 MET CE C 16.942 0.300 1 252 112 23 MET CG C 31.932 0.300 1 253 112 23 MET N N 122.444 0.300 1 254 113 24 ALA H H 8.389 0.020 1 255 113 24 ALA HA H 4.244 0.020 1 256 113 24 ALA HB H 1.345 0.020 1 257 113 24 ALA C C 178.107 0.300 1 258 113 24 ALA CA C 52.678 0.300 1 259 113 24 ALA CB C 19.230 0.300 1 260 113 24 ALA N N 125.652 0.300 1 261 114 25 GLY H H 8.386 0.020 1 262 114 25 GLY HA2 H 3.904 0.020 2 263 114 25 GLY HA3 H 3.889 0.020 2 264 114 25 GLY C C 173.962 0.300 1 265 114 25 GLY CA C 45.163 0.300 1 266 114 25 GLY N N 108.467 0.300 1 267 115 26 ALA H H 8.143 0.020 1 268 115 26 ALA HA H 4.250 0.020 1 269 115 26 ALA HB H 1.344 0.020 1 270 115 26 ALA C C 177.620 0.300 1 271 115 26 ALA CA C 52.581 0.300 1 272 115 26 ALA CB C 19.245 0.300 1 273 115 26 ALA N N 123.872 0.300 1 274 116 27 ALA H H 8.176 0.020 1 275 116 27 ALA HA H 4.250 0.020 1 276 116 27 ALA HB H 1.345 0.020 1 277 116 27 ALA C C 177.699 0.300 1 278 116 27 ALA CA C 52.453 0.300 1 279 116 27 ALA CB C 19.131 0.300 1 280 116 27 ALA N N 123.232 0.300 1 281 117 28 ALA H H 8.277 0.020 1 282 117 28 ALA HA H 4.235 0.020 1 283 117 28 ALA HB H 1.357 0.020 1 284 117 28 ALA C C 177.558 0.300 1 285 117 28 ALA CA C 52.502 0.300 1 286 117 28 ALA CB C 19.119 0.300 1 287 117 28 ALA N N 123.137 0.300 1 288 118 29 ALA H H 8.212 0.020 1 289 118 29 ALA HA H 4.257 0.020 1 290 118 29 ALA HB H 1.334 0.020 1 291 118 29 ALA C C 178.217 0.300 1 292 118 29 ALA CA C 52.676 0.300 1 293 118 29 ALA CB C 19.119 0.300 1 294 118 29 ALA N N 123.193 0.300 1 295 119 30 GLY H H 8.278 0.020 1 296 119 30 GLY HA2 H 3.908 0.020 1 297 119 30 GLY HA3 H 3.908 0.020 1 298 119 30 GLY C C 173.711 0.300 1 299 119 30 GLY CA C 45.223 0.300 1 300 119 30 GLY N N 107.903 0.300 1 301 120 31 ALA H H 8.054 0.020 1 302 120 31 ALA HA H 4.312 0.020 1 303 120 31 ALA HB H 1.337 0.020 1 304 120 31 ALA C C 177.558 0.300 1 305 120 31 ALA CA C 52.316 0.300 1 306 120 31 ALA CB C 19.230 0.300 1 307 120 31 ALA N N 123.537 0.300 1 308 121 32 VAL H H 8.116 0.020 1 309 121 32 VAL HA H 4.087 0.020 1 310 121 32 VAL HB H 1.973 0.020 1 311 121 32 VAL HG1 H 0.856 0.020 1 312 121 32 VAL HG2 H 0.813 0.020 1 313 121 32 VAL C C 176.317 0.300 1 314 121 32 VAL CA C 62.141 0.300 1 315 121 32 VAL CB C 32.618 0.300 1 316 121 32 VAL CG1 C 20.694 0.300 1 317 121 32 VAL CG2 C 21.253 0.300 1 318 121 32 VAL N N 119.558 0.300 1 319 122 33 VAL H H 8.269 0.020 1 320 122 33 VAL HA H 4.039 0.020 1 321 122 33 VAL HB H 1.971 0.020 1 322 122 33 VAL HG1 H 0.810 0.020 1 323 122 33 VAL HG2 H 0.854 0.020 1 324 122 33 VAL C C 176.615 0.300 1 325 122 33 VAL CA C 62.494 0.300 1 326 122 33 VAL CB C 32.640 0.300 1 327 122 33 VAL CG1 C 21.199 0.300 1 328 122 33 VAL CG2 C 20.678 0.300 1 329 122 33 VAL N N 124.633 0.300 1 330 123 34 GLY H H 8.545 0.020 1 331 123 34 GLY HA2 H 3.909 0.020 1 332 123 34 GLY HA3 H 3.909 0.020 1 333 123 34 GLY C C 174.637 0.300 1 334 123 34 GLY CA C 45.420 0.300 1 335 123 34 GLY N N 113.198 0.300 1 336 124 35 GLY H H 8.250 0.020 1 337 124 35 GLY HA2 H 3.917 0.020 1 338 124 35 GLY HA3 H 3.917 0.020 1 339 124 35 GLY C C 174.276 0.300 1 340 124 35 GLY CA C 45.294 0.300 1 341 124 35 GLY N N 108.418 0.300 1 342 125 36 LEU H H 8.226 0.020 1 343 125 36 LEU HA H 4.307 0.020 1 344 125 36 LEU HB2 H 1.557 0.020 2 345 125 36 LEU HB3 H 1.470 0.020 2 346 125 36 LEU HD1 H 0.604 0.020 1 347 125 36 LEU HD2 H 0.495 0.020 1 348 125 36 LEU HG H 1.440 0.020 1 349 125 36 LEU C C 177.872 0.300 1 350 125 36 LEU CA C 54.860 0.300 1 351 125 36 LEU CB C 42.538 0.300 1 352 125 36 LEU CD1 C 24.609 0.300 1 353 125 36 LEU CD2 C 23.538 0.300 1 354 125 36 LEU CG C 26.889 0.300 1 355 125 36 LEU N N 121.778 0.300 1 356 126 37 GLY H H 8.510 0.020 1 357 126 37 GLY HA2 H 3.885 0.020 2 358 126 37 GLY HA3 H 3.794 0.020 2 359 126 37 GLY C C 174.747 0.300 1 360 126 37 GLY CA C 46.141 0.300 1 361 126 37 GLY N N 109.887 0.300 1 362 127 38 GLY H H 8.336 0.020 1 363 127 38 GLY HA2 H 3.705 0.020 2 364 127 38 GLY HA3 H 3.872 0.020 2 365 127 38 GLY C C 173.774 0.300 1 366 127 38 GLY CA C 45.050 0.300 1 367 127 38 GLY N N 109.168 0.300 1 368 128 39 TYR H H 7.737 0.020 1 369 128 39 TYR HA H 4.512 0.020 1 370 128 39 TYR HB2 H 2.824 0.020 2 371 128 39 TYR HB3 H 2.870 0.020 2 372 128 39 TYR HD1 H 6.794 0.020 1 373 128 39 TYR HD2 H 6.794 0.020 1 374 128 39 TYR HE1 H 6.681 0.020 1 375 128 39 TYR HE2 H 6.681 0.020 1 376 128 39 TYR C C 175.611 0.300 1 377 128 39 TYR CA C 57.999 0.300 1 378 128 39 TYR CB C 40.313 0.300 1 379 128 39 TYR CD1 C 132.660 0.300 1 380 128 39 TYR CD2 C 132.660 0.300 1 381 128 39 TYR CE1 C 118.189 0.300 1 382 128 39 TYR CE2 C 118.189 0.300 1 383 128 39 TYR N N 117.717 0.300 1 384 129 40 MET H H 8.973 0.020 1 385 129 40 MET HA H 4.499 0.020 1 386 129 40 MET HB2 H 1.550 0.020 2 387 129 40 MET HB3 H 0.843 0.020 2 388 129 40 MET HE H 1.986 0.020 1 389 129 40 MET HG2 H 2.207 0.020 1 390 129 40 MET HG3 H 2.207 0.020 1 391 129 40 MET C C 172.973 0.300 1 392 129 40 MET CA C 53.578 0.300 1 393 129 40 MET CB C 34.840 0.300 1 394 129 40 MET CE C 17.270 0.300 1 395 129 40 MET CG C 32.350 0.300 1 396 129 40 MET N N 120.950 0.300 1 397 130 41 LEU H H 8.009 0.020 1 398 130 41 LEU HA H 4.556 0.020 1 399 130 41 LEU HB2 H 1.560 0.020 2 400 130 41 LEU HB3 H 0.992 0.020 2 401 130 41 LEU HD1 H 0.030 0.020 1 402 130 41 LEU HD2 H 0.532 0.020 1 403 130 41 LEU HG H 1.356 0.020 1 404 130 41 LEU C C 178.445 0.300 1 405 130 41 LEU CA C 53.484 0.300 1 406 130 41 LEU CB C 43.984 0.300 1 407 130 41 LEU CD1 C 22.162 0.300 1 408 130 41 LEU CD2 C 25.548 0.300 1 409 130 41 LEU CG C 26.218 0.300 1 410 130 41 LEU N N 121.229 0.300 1 411 131 42 GLY H H 9.453 0.020 1 412 131 42 GLY HA2 H 4.374 0.020 2 413 131 42 GLY HA3 H 3.946 0.020 2 414 131 42 GLY C C 172.863 0.300 1 415 131 42 GLY CA C 44.485 0.300 1 416 131 42 GLY N N 114.555 0.300 1 417 132 43 SER H H 8.349 0.020 1 418 132 43 SER HA H 4.377 0.020 1 419 132 43 SER HB2 H 3.907 0.020 2 420 132 43 SER HB3 H 3.830 0.020 2 421 132 43 SER C C 174.716 0.300 1 422 132 43 SER CA C 58.402 0.300 1 423 132 43 SER CB C 64.051 0.300 1 424 132 43 SER N N 113.823 0.300 1 425 133 44 ALA H H 8.669 0.020 1 426 133 44 ALA HA H 4.407 0.020 1 427 133 44 ALA HB H 1.240 0.020 1 428 133 44 ALA C C 177.620 0.300 1 429 133 44 ALA CA C 52.980 0.300 1 430 133 44 ALA CB C 18.465 0.300 1 431 133 44 ALA N N 125.108 0.300 1 432 134 45 MET H H 8.695 0.020 1 433 134 45 MET HA H 4.702 0.020 1 434 134 45 MET HB2 H 2.059 0.020 2 435 134 45 MET HB3 H 1.926 0.020 2 436 134 45 MET HE H 2.114 0.020 1 437 134 45 MET HG2 H 2.539 0.020 2 438 134 45 MET HG3 H 2.488 0.020 2 439 134 45 MET C C 175.564 0.300 1 440 134 45 MET CA C 54.029 0.300 1 441 134 45 MET CB C 36.160 0.300 1 442 134 45 MET CE C 17.683 0.300 1 443 134 45 MET CG C 32.263 0.300 1 444 134 45 MET N N 121.365 0.300 1 445 135 46 SER H H 8.416 0.020 1 446 135 46 SER HA H 4.321 0.020 1 447 135 46 SER HB2 H 3.793 0.020 2 448 135 46 SER HB3 H 3.719 0.020 2 449 135 46 SER C C 174.276 0.300 1 450 135 46 SER CA C 58.504 0.300 1 451 135 46 SER CB C 63.281 0.300 1 452 135 46 SER N N 116.189 0.300 1 453 136 47 ARG H H 8.626 0.020 1 454 136 47 ARG HA H 4.450 0.020 1 455 136 47 ARG HB2 H 1.710 0.020 2 456 136 47 ARG HB3 H 1.705 0.020 2 457 136 47 ARG HD2 H 3.141 0.020 2 458 136 47 ARG HD3 H 3.152 0.020 2 459 136 47 ARG HG2 H 1.850 0.020 1 460 136 47 ARG HG3 H 1.850 0.020 1 461 136 47 ARG CA C 54.830 0.300 1 462 136 47 ARG CB C 29.279 0.300 1 463 136 47 ARG CD C 43.600 0.300 1 464 136 47 ARG CG C 28.600 0.300 1 465 136 47 ARG N N 125.248 0.300 1 466 137 48 PRO HA H 4.446 0.020 1 467 137 48 PRO HB2 H 1.750 0.020 2 468 137 48 PRO HB3 H 2.176 0.020 2 469 137 48 PRO HD2 H 3.903 0.020 2 470 137 48 PRO HD3 H 3.730 0.020 2 471 137 48 PRO HG2 H 1.957 0.020 2 472 137 48 PRO HG3 H 2.048 0.020 2 473 137 48 PRO C C 175.815 0.300 1 474 137 48 PRO CA C 62.464 0.300 1 475 137 48 PRO CB C 32.384 0.300 1 476 137 48 PRO CD C 50.906 0.300 1 477 137 48 PRO CG C 27.217 0.300 1 478 138 49 ILE H H 8.533 0.020 1 479 138 49 ILE HA H 4.094 0.020 1 480 138 49 ILE HB H 1.830 0.020 1 481 138 49 ILE HD1 H 0.847 0.020 1 482 138 49 ILE HG12 H 1.309 0.020 2 483 138 49 ILE HG13 H 1.546 0.020 2 484 138 49 ILE HG2 H 0.700 0.020 1 485 138 49 ILE C C 175.396 0.300 1 486 138 49 ILE CA C 61.083 0.300 1 487 138 49 ILE CB C 36.458 0.300 1 488 138 49 ILE CD1 C 11.508 0.300 1 489 138 49 ILE CG1 C 27.262 0.300 1 490 138 49 ILE CG2 C 17.403 0.300 1 491 138 49 ILE N N 122.009 0.300 1 492 139 50 ILE H H 6.916 0.020 1 493 139 50 ILE HA H 3.903 0.020 1 494 139 50 ILE HB H 0.835 0.020 1 495 139 50 ILE HD1 H 0.395 0.020 1 496 139 50 ILE HG12 H 0.643 0.020 2 497 139 50 ILE HG13 H 0.874 0.020 2 498 139 50 ILE HG2 H -0.070 0.020 1 499 139 50 ILE C C 173.601 0.300 1 500 139 50 ILE CA C 59.267 0.300 1 501 139 50 ILE CB C 39.779 0.300 1 502 139 50 ILE CD1 C 13.126 0.300 1 503 139 50 ILE CG1 C 26.551 0.300 1 504 139 50 ILE CG2 C 17.436 0.300 1 505 139 50 ILE N N 126.944 0.300 1 506 140 51 HIS H H 8.242 0.020 1 507 140 51 HIS HA H 4.869 0.020 1 508 140 51 HIS HB2 H 3.205 0.020 2 509 140 51 HIS HB3 H 2.902 0.020 2 510 140 51 HIS HD2 H 7.206 0.020 1 511 140 51 HIS HE1 H 8.531 0.020 1 512 140 51 HIS C C 174.355 0.300 1 513 140 51 HIS CA C 54.102 0.300 1 514 140 51 HIS CB C 29.720 0.300 1 515 140 51 HIS CD2 C 119.788 0.300 1 516 140 51 HIS CE1 C 136.414 0.300 1 517 140 51 HIS N N 122.152 0.300 1 518 141 52 PHE H H 9.962 0.020 1 519 141 52 PHE HA H 4.366 0.020 1 520 141 52 PHE HB2 H 2.883 0.020 2 521 141 52 PHE HB3 H 3.254 0.020 2 522 141 52 PHE HD1 H 7.320 0.020 3 523 141 52 PHE HD2 H 7.300 0.020 3 524 141 52 PHE HE1 H 6.942 0.020 3 525 141 52 PHE HE2 H 6.942 0.020 3 526 141 52 PHE HZ H 6.730 0.020 1 527 141 52 PHE C C 176.709 0.300 1 528 141 52 PHE CA C 59.020 0.300 1 529 141 52 PHE CB C 41.662 0.300 1 530 141 52 PHE CD1 C 131.590 0.300 1 531 141 52 PHE CD2 C 131.590 0.300 1 532 141 52 PHE CE1 C 131.234 0.300 1 533 141 52 PHE CE2 C 131.234 0.300 1 534 141 52 PHE CZ C 129.300 0.300 1 535 141 52 PHE N N 124.140 0.300 1 536 142 53 GLY H H 9.065 0.020 1 537 142 53 GLY HA2 H 4.042 0.020 2 538 142 53 GLY HA3 H 3.900 0.020 2 539 142 53 GLY C C 173.551 0.300 1 540 142 53 GLY CA C 45.445 0.300 1 541 142 53 GLY N N 108.441 0.300 1 542 143 54 SER H H 7.355 0.020 1 543 143 54 SER HA H 4.790 0.020 1 544 143 54 SER HB2 H 4.061 0.020 2 545 143 54 SER HB3 H 3.876 0.020 2 546 143 54 SER C C 173.978 0.300 1 547 143 54 SER CA C 56.668 0.300 1 548 143 54 SER CB C 65.955 0.300 1 549 143 54 SER N N 111.879 0.300 1 550 144 55 ASP H H 9.007 0.020 1 551 144 55 ASP HA H 4.455 0.020 1 552 144 55 ASP HB2 H 2.697 0.020 2 553 144 55 ASP HB3 H 2.703 0.020 2 554 144 55 ASP C C 178.468 0.300 1 555 144 55 ASP CA C 57.492 0.300 1 556 144 55 ASP CB C 40.776 0.300 1 557 144 55 ASP N N 124.545 0.300 1 558 145 56 TYR H H 8.532 0.020 1 559 145 56 TYR HA H 4.149 0.020 1 560 145 56 TYR HB2 H 3.200 0.020 2 561 145 56 TYR HB3 H 2.812 0.020 2 562 145 56 TYR HD1 H 7.054 0.020 1 563 145 56 TYR HD2 H 7.054 0.020 1 564 145 56 TYR HE1 H 6.762 0.020 1 565 145 56 TYR HE2 H 6.762 0.020 1 566 145 56 TYR C C 177.856 0.300 1 567 145 56 TYR CA C 61.359 0.300 1 568 145 56 TYR CB C 38.041 0.300 1 569 145 56 TYR CD1 C 133.241 0.300 1 570 145 56 TYR CD2 C 133.241 0.300 1 571 145 56 TYR CE1 C 117.841 0.300 1 572 145 56 TYR CE2 C 117.841 0.300 1 573 145 56 TYR N N 118.973 0.300 1 574 146 57 GLU H H 7.691 0.020 1 575 146 57 GLU HA H 3.470 0.020 1 576 146 57 GLU HB2 H 1.895 0.020 2 577 146 57 GLU HB3 H 1.474 0.020 2 578 146 57 GLU HG2 H 2.163 0.020 2 579 146 57 GLU HG3 H 1.864 0.020 2 580 146 57 GLU C C 177.416 0.300 1 581 146 57 GLU CA C 59.915 0.300 1 582 146 57 GLU CB C 30.401 0.300 1 583 146 57 GLU CG C 38.234 0.300 1 584 146 57 GLU N N 119.198 0.300 1 585 147 58 ASP H H 8.003 0.020 1 586 147 58 ASP HA H 4.522 0.020 1 587 147 58 ASP HB2 H 2.931 0.020 2 588 147 58 ASP HB3 H 2.817 0.020 2 589 147 58 ASP C C 178.924 0.300 1 590 147 58 ASP CA C 58.344 0.300 1 591 147 58 ASP CB C 41.142 0.300 1 592 147 58 ASP N N 119.036 0.300 1 593 148 59 ARG H H 8.187 0.020 1 594 148 59 ARG HA H 3.943 0.020 1 595 148 59 ARG HB2 H 1.863 0.020 1 596 148 59 ARG HB3 H 1.863 0.020 1 597 148 59 ARG HD2 H 3.163 0.020 1 598 148 59 ARG HD3 H 3.163 0.020 1 599 148 59 ARG HG2 H 1.689 0.020 2 600 148 59 ARG HG3 H 1.481 0.020 2 601 148 59 ARG C C 177.699 0.300 1 602 148 59 ARG CA C 59.432 0.300 1 603 148 59 ARG CB C 29.814 0.300 1 604 148 59 ARG CD C 43.326 0.300 1 605 148 59 ARG CG C 27.667 0.300 1 606 148 59 ARG N N 119.665 0.300 1 607 149 60 TYR H H 8.297 0.020 1 608 149 60 TYR HA H 3.768 0.020 1 609 149 60 TYR HB2 H 2.806 0.020 2 610 149 60 TYR HB3 H 2.560 0.020 2 611 149 60 TYR HD1 H 6.932 0.020 1 612 149 60 TYR HD2 H 6.932 0.020 1 613 149 60 TYR HE1 H 6.744 0.020 1 614 149 60 TYR HE2 H 6.744 0.020 1 615 149 60 TYR C C 179.520 0.300 1 616 149 60 TYR CA C 62.263 0.300 1 617 149 60 TYR CB C 38.005 0.300 1 618 149 60 TYR CD1 C 133.030 0.300 1 619 149 60 TYR CD2 C 133.030 0.300 1 620 149 60 TYR CE1 C 118.168 0.300 1 621 149 60 TYR CE2 C 118.168 0.300 1 622 149 60 TYR N N 120.908 0.300 1 623 150 61 TYR H H 8.904 0.020 1 624 150 61 TYR HA H 4.057 0.020 1 625 150 61 TYR HB2 H 3.135 0.020 2 626 150 61 TYR HB3 H 3.404 0.020 2 627 150 61 TYR HD1 H 7.504 0.020 1 628 150 61 TYR HD2 H 7.504 0.020 1 629 150 61 TYR HE1 H 7.020 0.020 1 630 150 61 TYR HE2 H 7.020 0.020 1 631 150 61 TYR C C 177.134 0.300 1 632 150 61 TYR CA C 63.206 0.300 1 633 150 61 TYR CB C 38.475 0.300 1 634 150 61 TYR CD1 C 133.360 0.300 1 635 150 61 TYR CD2 C 133.360 0.300 1 636 150 61 TYR CE1 C 118.338 0.300 1 637 150 61 TYR CE2 C 118.338 0.300 1 638 150 61 TYR N N 120.428 0.300 1 639 151 62 ARG H H 8.038 0.020 1 640 151 62 ARG HA H 3.874 0.020 1 641 151 62 ARG HB2 H 2.018 0.020 2 642 151 62 ARG HB3 H 1.917 0.020 2 643 151 62 ARG HD2 H 3.322 0.020 2 644 151 62 ARG HD3 H 3.237 0.020 2 645 151 62 ARG HG2 H 1.966 0.020 2 646 151 62 ARG HG3 H 1.737 0.020 2 647 151 62 ARG C C 179.489 0.300 1 648 151 62 ARG CA C 59.912 0.300 1 649 151 62 ARG CB C 29.760 0.300 1 650 151 62 ARG CD C 43.396 0.300 1 651 151 62 ARG CG C 28.328 0.300 1 652 151 62 ARG N N 118.079 0.300 1 653 152 63 GLU H H 8.022 0.020 1 654 152 63 GLU HA H 4.012 0.020 1 655 152 63 GLU HB2 H 1.838 0.020 2 656 152 63 GLU HB3 H 1.855 0.020 2 657 152 63 GLU HG2 H 2.395 0.020 2 658 152 63 GLU HG3 H 2.149 0.020 2 659 152 63 GLU C C 177.306 0.300 1 660 152 63 GLU CA C 57.999 0.300 1 661 152 63 GLU CB C 30.012 0.300 1 662 152 63 GLU CG C 36.750 0.300 1 663 152 63 GLU N N 116.304 0.300 1 664 153 64 ASN H H 7.485 0.020 1 665 153 64 ASN HA H 4.344 0.020 1 666 153 64 ASN HB2 H 2.108 0.020 2 667 153 64 ASN HB3 H 2.133 0.020 2 668 153 64 ASN HD21 H 6.543 0.020 1 669 153 64 ASN HD22 H 6.873 0.020 1 670 153 64 ASN C C 175.658 0.300 1 671 153 64 ASN CA C 54.847 0.300 1 672 153 64 ASN CB C 41.579 0.300 1 673 153 64 ASN N N 114.642 0.300 1 674 153 64 ASN ND2 N 117.374 0.300 1 675 154 65 MET H H 7.995 0.020 1 676 154 65 MET HA H 3.414 0.020 1 677 154 65 MET HB2 H 1.620 0.020 2 678 154 65 MET HB3 H 1.299 0.020 2 679 154 65 MET HE H 1.991 0.020 1 680 154 65 MET HG2 H 2.152 0.020 2 681 154 65 MET HG3 H 2.480 0.020 2 682 154 65 MET C C 176.301 0.300 1 683 154 65 MET CA C 59.393 0.300 1 684 154 65 MET CB C 30.405 0.300 1 685 154 65 MET CE C 17.485 0.300 1 686 154 65 MET CG C 30.485 0.300 1 687 154 65 MET N N 119.181 0.300 1 688 155 66 HIS H H 8.071 0.020 1 689 155 66 HIS HA H 4.201 0.020 1 690 155 66 HIS HB2 H 2.910 0.020 2 691 155 66 HIS HB3 H 3.128 0.020 2 692 155 66 HIS HD2 H 7.351 0.020 1 693 155 66 HIS C C 175.689 0.300 1 694 155 66 HIS CA C 57.766 0.300 1 695 155 66 HIS CB C 28.902 0.300 1 696 155 66 HIS CD2 C 120.163 0.300 1 697 155 66 HIS N N 115.964 0.300 1 698 156 67 ARG H H 7.556 0.020 1 699 156 67 ARG HA H 4.085 0.020 1 700 156 67 ARG HB2 H 2.093 0.020 2 701 156 67 ARG HB3 H 1.302 0.020 2 702 156 67 ARG HD2 H 3.029 0.020 2 703 156 67 ARG HD3 H 3.206 0.020 2 704 156 67 ARG HG2 H 0.181 0.020 2 705 156 67 ARG HG3 H 1.284 0.020 2 706 156 67 ARG C C 176.631 0.300 1 707 156 67 ARG CA C 56.135 0.300 1 708 156 67 ARG CB C 30.662 0.300 1 709 156 67 ARG CD C 44.171 0.300 1 710 156 67 ARG CG C 26.986 0.300 1 711 156 67 ARG N N 118.769 0.300 1 712 157 68 TYR H H 7.338 0.020 1 713 157 68 TYR HA H 4.979 0.020 1 714 157 68 TYR HB2 H 3.025 0.020 2 715 157 68 TYR HB3 H 3.114 0.020 2 716 157 68 TYR HD1 H 6.913 0.020 1 717 157 68 TYR HD2 H 6.913 0.020 1 718 157 68 TYR HE1 H 6.597 0.020 1 719 157 68 TYR HE2 H 6.597 0.020 1 720 157 68 TYR CA C 52.707 0.300 1 721 157 68 TYR CB C 35.182 0.300 1 722 157 68 TYR CD1 C 131.065 0.300 1 723 157 68 TYR CD2 C 131.065 0.300 1 724 157 68 TYR CE1 C 116.943 0.300 1 725 157 68 TYR CE2 C 116.942 0.300 1 726 157 68 TYR N N 120.697 0.300 1 727 158 69 PRO HA H 4.208 0.020 1 728 158 69 PRO HB2 H 2.275 0.020 2 729 158 69 PRO HB3 H 1.557 0.020 2 730 158 69 PRO HD2 H 2.966 0.020 2 731 158 69 PRO HD3 H 3.111 0.020 2 732 158 69 PRO HG2 H 1.104 0.020 2 733 158 69 PRO HG3 H 1.483 0.020 2 734 158 69 PRO C C 175.297 0.300 1 735 158 69 PRO CA C 63.602 0.300 1 736 158 69 PRO CB C 32.054 0.300 1 737 158 69 PRO CD C 49.986 0.300 1 738 158 69 PRO CG C 27.200 0.300 1 739 159 70 ASN H H 8.615 0.020 1 740 159 70 ASN HA H 4.573 0.020 1 741 159 70 ASN HB2 H 3.497 0.020 2 742 159 70 ASN HB3 H 2.425 0.020 2 743 159 70 ASN HD21 H 7.458 0.020 1 744 159 70 ASN HD22 H 6.792 0.020 1 745 159 70 ASN C C 172.690 0.300 1 746 159 70 ASN CA C 52.042 0.300 1 747 159 70 ASN CB C 38.498 0.300 1 748 159 70 ASN N N 116.524 0.300 1 749 159 70 ASN ND2 N 109.551 0.300 1 750 160 71 GLN H H 7.294 0.020 1 751 160 71 GLN HA H 4.526 0.020 1 752 160 71 GLN HB2 H 1.948 0.020 2 753 160 71 GLN HB3 H 1.641 0.020 2 754 160 71 GLN HE21 H 7.839 0.020 1 755 160 71 GLN HE22 H 6.954 0.020 1 756 160 71 GLN HG2 H 2.202 0.020 2 757 160 71 GLN HG3 H 1.976 0.020 2 758 160 71 GLN C C 174.888 0.300 1 759 160 71 GLN CA C 54.289 0.300 1 760 160 71 GLN CB C 33.273 0.300 1 761 160 71 GLN CG C 33.817 0.300 1 762 160 71 GLN N N 114.626 0.300 1 763 160 71 GLN NE2 N 112.308 0.300 1 764 161 72 VAL H H 8.431 0.020 1 765 161 72 VAL HA H 4.868 0.020 1 766 161 72 VAL HB H 2.522 0.020 1 767 161 72 VAL HG1 H 0.895 0.020 1 768 161 72 VAL HG2 H 0.712 0.020 1 769 161 72 VAL C C 174.355 0.300 1 770 161 72 VAL CA C 58.855 0.300 1 771 161 72 VAL CB C 33.535 0.300 1 772 161 72 VAL CG1 C 24.040 0.300 1 773 161 72 VAL CG2 C 18.350 0.300 1 774 161 72 VAL N N 112.806 0.300 1 775 162 73 TYR H H 8.573 0.020 1 776 162 73 TYR HA H 5.476 0.020 1 777 162 73 TYR HB2 H 2.490 0.020 2 778 162 73 TYR HB3 H 2.529 0.020 2 779 162 73 TYR HD1 H 6.934 0.020 1 780 162 73 TYR HD2 H 6.934 0.020 1 781 162 73 TYR HE1 H 6.764 0.020 1 782 162 73 TYR HE2 H 6.764 0.020 1 783 162 73 TYR C C 174.307 0.300 1 784 162 73 TYR CA C 57.089 0.300 1 785 162 73 TYR CB C 42.236 0.300 1 786 162 73 TYR CD1 C 132.990 0.300 1 787 162 73 TYR CD2 C 132.990 0.300 1 788 162 73 TYR CE1 C 118.268 0.300 1 789 162 73 TYR CE2 C 118.268 0.300 1 790 162 73 TYR N N 121.394 0.300 1 791 163 74 TYR H H 8.595 0.020 1 792 163 74 TYR HA H 4.770 0.020 1 793 163 74 TYR HB2 H 2.809 0.020 2 794 163 74 TYR HB3 H 2.652 0.020 2 795 163 74 TYR HD1 H 6.949 0.020 1 796 163 74 TYR HD2 H 6.949 0.020 1 797 163 74 TYR HE1 H 6.443 0.020 1 798 163 74 TYR HE2 H 6.443 0.020 1 799 163 74 TYR CA C 55.591 0.300 1 800 163 74 TYR CB C 40.311 0.300 1 801 163 74 TYR CD1 C 133.469 0.300 1 802 163 74 TYR CD2 C 133.469 0.300 1 803 163 74 TYR CE1 C 117.655 0.300 1 804 163 74 TYR CE2 C 117.655 0.300 1 805 163 74 TYR N N 111.185 0.300 1 806 164 75 ARG HA H 4.576 0.020 1 807 164 75 ARG HB2 H 1.488 0.020 2 808 164 75 ARG HB3 H 1.610 0.020 2 809 164 75 ARG HD2 H 2.884 0.020 2 810 164 75 ARG HD3 H 2.862 0.020 2 811 164 75 ARG HG2 H 1.130 0.020 2 812 164 75 ARG HG3 H 1.175 0.020 2 813 164 75 ARG CA C 52.691 0.300 1 814 164 75 ARG CB C 30.463 0.300 1 815 164 75 ARG CD C 43.293 0.300 1 816 164 75 ARG CG C 27.156 0.300 1 817 165 76 PRO HA H 4.453 0.020 1 818 165 76 PRO HB2 H 2.422 0.020 2 819 165 76 PRO HB3 H 1.760 0.020 2 820 165 76 PRO HD2 H 3.675 0.020 2 821 165 76 PRO HD3 H 3.537 0.020 2 822 165 76 PRO HG2 H 2.029 0.020 2 823 165 76 PRO HG3 H 1.855 0.020 2 824 165 76 PRO C C 177.288 0.300 1 825 165 76 PRO CA C 62.983 0.300 1 826 165 76 PRO CB C 32.388 0.300 1 827 165 76 PRO CD C 50.354 0.300 1 828 165 76 PRO CG C 28.095 0.300 1 829 166 77 MET H H 9.086 0.020 1 830 166 77 MET HA H 4.392 0.020 1 831 166 77 MET HB2 H 2.265 0.020 2 832 166 77 MET HB3 H 2.273 0.020 2 833 166 77 MET HE H 1.529 0.020 1 834 166 77 MET HG2 H 1.778 0.020 2 835 166 77 MET HG3 H 1.767 0.020 2 836 166 77 MET C C 175.799 0.300 1 837 166 77 MET CA C 57.120 0.300 1 838 166 77 MET CB C 32.434 0.300 1 839 166 77 MET CE C 17.089 0.300 1 840 166 77 MET CG C 32.689 0.300 1 841 166 77 MET N N 121.852 0.300 1 842 167 78 ASP H H 8.190 0.020 1 843 167 78 ASP HA H 4.495 0.020 1 844 167 78 ASP HB2 H 2.802 0.020 2 845 167 78 ASP HB3 H 2.661 0.020 2 846 167 78 ASP C C 176.882 0.300 1 847 167 78 ASP CA C 54.817 0.300 1 848 167 78 ASP CB C 41.168 0.300 1 849 167 78 ASP N N 119.929 0.300 1 850 168 79 GLU H H 8.333 0.020 1 851 168 79 GLU HA H 4.547 0.020 1 852 168 79 GLU HB2 H 3.067 0.020 2 853 168 79 GLU HB3 H 2.967 0.020 2 854 168 79 GLU CA C 55.399 0.300 1 855 168 79 GLU CB C 29.830 0.300 1 856 168 79 GLU CG C 32.750 0.300 1 857 168 79 GLU N N 116.907 0.300 1 858 169 80 TYR HA H 4.257 0.020 1 859 169 80 TYR HB2 H 3.161 0.020 2 860 169 80 TYR HB3 H 2.952 0.020 2 861 169 80 TYR HD1 H 7.206 0.020 3 862 169 80 TYR HD2 H 7.206 0.020 3 863 169 80 TYR HE1 H 6.836 0.020 3 864 169 80 TYR HE2 H 6.836 0.020 3 865 169 80 TYR C C 176.223 0.300 1 866 169 80 TYR CA C 60.038 0.300 1 867 169 80 TYR CB C 37.986 0.300 1 868 169 80 TYR CD1 C 133.307 0.300 1 869 169 80 TYR CD2 C 133.307 0.300 1 870 169 80 TYR CE1 C 117.922 0.300 1 871 169 80 TYR CE2 C 117.922 0.300 1 872 170 81 SER H H 8.583 0.020 1 873 170 81 SER CA C 58.474 0.300 1 874 170 81 SER CB C 63.810 0.300 1 875 170 81 SER N N 116.657 0.300 1 876 171 82 ASN HA H 4.666 0.020 1 877 171 82 ASN HB2 H 2.994 0.020 2 878 171 82 ASN HB3 H 3.063 0.020 2 879 171 82 ASN HD21 H 7.570 0.020 1 880 171 82 ASN HD22 H 6.751 0.020 1 881 171 82 ASN C C 174.350 0.300 1 882 171 82 ASN CA C 52.331 0.300 1 883 171 82 ASN CB C 39.397 0.300 1 884 171 82 ASN ND2 N 112.961 0.300 1 885 172 83 GLN H H 8.647 0.020 1 886 172 83 GLN HB2 H 1.554 0.020 1 887 172 83 GLN HB3 H 1.554 0.020 1 888 172 83 GLN HE21 H 7.470 0.020 1 889 172 83 GLN HE22 H 6.820 0.020 1 890 172 83 GLN C C 176.882 0.300 1 891 172 83 GLN CA C 59.711 0.300 1 892 172 83 GLN CB C 28.911 0.300 1 893 172 83 GLN CG C 34.080 0.300 1 894 172 83 GLN N N 120.655 0.300 1 895 172 83 GLN NE2 N 111.800 0.300 1 896 173 84 ASN H H 8.370 0.020 1 897 173 84 ASN HA H 4.193 0.020 1 898 173 84 ASN HB2 H 2.621 0.020 2 899 173 84 ASN HB3 H 2.689 0.020 2 900 173 84 ASN HD21 H 6.949 0.020 1 901 173 84 ASN HD22 H 7.584 0.020 1 902 173 84 ASN C C 177.856 0.300 1 903 173 84 ASN CA C 56.605 0.300 1 904 173 84 ASN CB C 37.958 0.300 1 905 173 84 ASN N N 116.658 0.300 1 906 173 84 ASN ND2 N 112.697 0.300 1 907 174 85 ASN H H 8.598 0.020 1 908 174 85 ASN HA H 4.511 0.020 1 909 174 85 ASN HB2 H 2.941 0.020 2 910 174 85 ASN HB3 H 2.825 0.020 2 911 174 85 ASN HD21 H 6.828 0.020 1 912 174 85 ASN HD22 H 7.461 0.020 1 913 174 85 ASN CA C 55.939 0.300 1 914 174 85 ASN CB C 37.918 0.300 1 915 174 85 ASN N N 118.223 0.300 1 916 174 85 ASN ND2 N 112.504 0.300 1 917 175 86 PHE HB2 H 3.059 0.020 2 918 175 86 PHE HB3 H 2.868 0.020 2 919 175 86 PHE HD1 H 7.697 0.020 1 920 175 86 PHE HD2 H 7.697 0.020 1 921 175 86 PHE HE1 H 6.776 0.020 1 922 175 86 PHE HE2 H 6.776 0.020 1 923 175 86 PHE HZ H 7.315 0.020 1 924 175 86 PHE C C 178.233 0.300 1 925 175 86 PHE CA C 61.069 0.300 1 926 175 86 PHE CB C 39.634 0.300 1 927 175 86 PHE CD1 C 131.638 0.300 1 928 175 86 PHE CD2 C 131.638 0.300 1 929 175 86 PHE CE1 C 129.200 0.300 1 930 175 86 PHE CE2 C 129.200 0.300 1 931 175 86 PHE CZ C 133.104 0.300 1 932 176 87 VAL H H 9.034 0.020 1 933 176 87 VAL HA H 3.503 0.020 1 934 176 87 VAL HB H 2.197 0.020 1 935 176 87 VAL HG1 H 0.968 0.020 1 936 176 87 VAL HG2 H 1.025 0.020 1 937 176 87 VAL C C 176.898 0.300 1 938 176 87 VAL CA C 67.820 0.300 1 939 176 87 VAL CB C 31.788 0.300 1 940 176 87 VAL CG1 C 21.785 0.300 1 941 176 87 VAL CG2 C 25.015 0.300 1 942 176 87 VAL N N 120.166 0.300 1 943 177 88 HIS H H 8.319 0.020 1 944 177 88 HIS HA H 4.282 0.020 1 945 177 88 HIS HB2 H 3.332 0.020 2 946 177 88 HIS HB3 H 3.259 0.020 2 947 177 88 HIS HD2 H 7.355 0.020 1 948 177 88 HIS HE1 H 8.505 0.020 1 949 177 88 HIS C C 177.039 0.300 1 950 177 88 HIS CA C 59.580 0.300 1 951 177 88 HIS CB C 28.438 0.300 1 952 177 88 HIS CD2 C 120.132 0.300 1 953 177 88 HIS CE1 C 136.383 0.300 1 954 177 88 HIS N N 117.076 0.300 1 955 178 89 ASP H H 7.746 0.020 1 956 178 89 ASP HA H 4.530 0.020 1 957 178 89 ASP HB2 H 2.808 0.020 2 958 178 89 ASP HB3 H 2.917 0.020 2 959 178 89 ASP C C 175.925 0.300 1 960 178 89 ASP CA C 57.397 0.300 1 961 178 89 ASP CB C 41.293 0.300 1 962 178 89 ASP N N 118.566 0.300 1 963 179 90 CYS H H 8.134 0.020 1 964 179 90 CYS HA H 4.668 0.020 1 965 179 90 CYS HB2 H 2.996 0.020 2 966 179 90 CYS HB3 H 3.328 0.020 2 967 179 90 CYS C C 177.134 0.300 1 968 179 90 CYS CA C 58.953 0.300 1 969 179 90 CYS CB C 40.358 0.300 1 970 179 90 CYS N N 119.029 0.300 1 971 180 91 VAL H H 9.172 0.020 1 972 180 91 VAL HA H 3.569 0.020 1 973 180 91 VAL HB H 2.155 0.020 1 974 180 91 VAL HG1 H 0.913 0.020 1 975 180 91 VAL HG2 H 1.057 0.020 1 976 180 91 VAL C C 177.102 0.300 1 977 180 91 VAL CA C 66.656 0.300 1 978 180 91 VAL CB C 32.035 0.300 1 979 180 91 VAL CG1 C 21.792 0.300 1 980 180 91 VAL CG2 C 23.383 0.300 1 981 180 91 VAL N N 125.477 0.300 1 982 181 92 ASN H H 7.697 0.020 1 983 181 92 ASN HA H 4.282 0.020 1 984 181 92 ASN HB2 H 2.799 0.020 2 985 181 92 ASN HB3 H 2.711 0.020 2 986 181 92 ASN HD21 H 7.623 0.020 1 987 181 92 ASN HD22 H 6.785 0.020 1 988 181 92 ASN C C 178.468 0.300 1 989 181 92 ASN CA C 56.732 0.300 1 990 181 92 ASN CB C 38.864 0.300 1 991 181 92 ASN N N 116.074 0.300 1 992 181 92 ASN ND2 N 112.203 0.300 1 993 182 93 ILE H H 8.963 0.020 1 994 182 93 ILE HA H 3.716 0.020 1 995 182 93 ILE HB H 1.606 0.020 1 996 182 93 ILE HD1 H 0.396 0.020 1 997 182 93 ILE HG12 H 0.862 0.020 2 998 182 93 ILE HG13 H 0.968 0.020 2 999 182 93 ILE HG2 H 0.226 0.020 1 1000 182 93 ILE C C 177.840 0.300 1 1001 182 93 ILE CA C 62.499 0.300 1 1002 182 93 ILE CB C 36.492 0.300 1 1003 182 93 ILE CD1 C 11.624 0.300 1 1004 182 93 ILE CG1 C 27.832 0.300 1 1005 182 93 ILE CG2 C 18.422 0.300 1 1006 182 93 ILE N N 119.656 0.300 1 1007 183 94 THR H H 8.210 0.020 1 1008 183 94 THR HA H 4.034 0.020 1 1009 183 94 THR HB H 4.458 0.020 1 1010 183 94 THR HG2 H 1.410 0.020 1 1011 183 94 THR C C 177.244 0.300 1 1012 183 94 THR CA C 68.889 0.300 1 1013 183 94 THR CB C 68.593 0.300 1 1014 183 94 THR CG2 C 22.182 0.300 1 1015 183 94 THR N N 118.177 0.300 1 1016 184 95 ILE H H 8.284 0.020 1 1017 184 95 ILE HA H 3.567 0.020 1 1018 184 95 ILE HB H 1.960 0.020 1 1019 184 95 ILE HD1 H 0.746 0.020 1 1020 184 95 ILE HG12 H 1.893 0.020 2 1021 184 95 ILE HG13 H 1.301 0.020 2 1022 184 95 ILE HG2 H 0.837 0.020 1 1023 184 95 ILE C C 178.719 0.300 1 1024 184 95 ILE CA C 66.728 0.300 1 1025 184 95 ILE CB C 37.558 0.300 1 1026 184 95 ILE CD1 C 14.206 0.300 1 1027 184 95 ILE CG1 C 30.669 0.300 1 1028 184 95 ILE CG2 C 16.947 0.300 1 1029 184 95 ILE N N 121.031 0.300 1 1030 185 96 LYS H H 8.307 0.020 1 1031 185 96 LYS HA H 4.022 0.020 1 1032 185 96 LYS HB2 H 1.860 0.020 2 1033 185 96 LYS HB3 H 1.945 0.020 2 1034 185 96 LYS HD2 H 1.568 0.020 2 1035 185 96 LYS HD3 H 1.641 0.020 2 1036 185 96 LYS HE2 H 2.870 0.020 2 1037 185 96 LYS HE3 H 2.941 0.020 2 1038 185 96 LYS HG2 H 1.581 0.020 2 1039 185 96 LYS HG3 H 1.447 0.020 2 1040 185 96 LYS C C 179.018 0.300 1 1041 185 96 LYS CA C 60.073 0.300 1 1042 185 96 LYS CB C 32.446 0.300 1 1043 185 96 LYS CD C 28.800 0.300 1 1044 185 96 LYS CE C 41.857 0.300 1 1045 185 96 LYS CG C 25.089 0.300 1 1046 185 96 LYS N N 123.259 0.300 1 1047 186 97 GLN H H 8.707 0.020 1 1048 186 97 GLN HA H 3.997 0.020 1 1049 186 97 GLN HB2 H 1.791 0.020 2 1050 186 97 GLN HB3 H 1.747 0.020 2 1051 186 97 GLN HE21 H 6.676 0.020 1 1052 186 97 GLN HE22 H 6.813 0.020 1 1053 186 97 GLN HG2 H 2.065 0.020 2 1054 186 97 GLN HG3 H 1.470 0.020 2 1055 186 97 GLN C C 178.657 0.300 1 1056 186 97 GLN CA C 58.094 0.300 1 1057 186 97 GLN CB C 27.821 0.300 1 1058 186 97 GLN CG C 33.072 0.300 1 1059 186 97 GLN N N 117.335 0.300 1 1060 186 97 GLN NE2 N 109.814 0.300 1 1061 187 98 HIS H H 8.455 0.020 1 1062 187 98 HIS HA H 4.526 0.020 1 1063 187 98 HIS HB2 H 3.357 0.020 2 1064 187 98 HIS HB3 H 3.053 0.020 2 1065 187 98 HIS HD2 H 7.349 0.020 1 1066 187 98 HIS C C 178.531 0.300 1 1067 187 98 HIS CA C 59.863 0.300 1 1068 187 98 HIS CB C 32.176 0.300 1 1069 187 98 HIS CD2 C 119.977 0.300 1 1070 187 98 HIS N N 119.800 0.300 1 1071 188 99 THR H H 8.387 0.020 1 1072 188 99 THR HA H 3.990 0.020 1 1073 188 99 THR HB H 4.218 0.020 1 1074 188 99 THR HG2 H 1.209 0.020 1 1075 188 99 THR C C 176.396 0.300 1 1076 188 99 THR CA C 66.593 0.300 1 1077 188 99 THR CB C 68.876 0.300 1 1078 188 99 THR CG2 C 21.095 0.300 1 1079 188 99 THR N N 114.214 0.300 1 1080 189 100 VAL H H 8.081 0.020 1 1081 189 100 VAL HA H 3.845 0.020 1 1082 189 100 VAL HB H 2.201 0.020 1 1083 189 100 VAL HG1 H 1.021 0.020 1 1084 189 100 VAL HG2 H 0.917 0.020 1 1085 189 100 VAL C C 178.437 0.300 1 1086 189 100 VAL CA C 66.138 0.300 1 1087 189 100 VAL CB C 32.095 0.300 1 1088 189 100 VAL CG1 C 22.177 0.300 1 1089 189 100 VAL CG2 C 21.046 0.300 1 1090 189 100 VAL N N 122.945 0.300 1 1091 190 101 THR H H 8.173 0.020 1 1092 190 101 THR HA H 4.061 0.020 1 1093 190 101 THR HB H 4.313 0.020 1 1094 190 101 THR HG2 H 1.262 0.020 1 1095 190 101 THR C C 176.521 0.300 1 1096 190 101 THR CA C 65.307 0.300 1 1097 190 101 THR CB C 69.175 0.300 1 1098 190 101 THR CG2 C 21.715 0.300 1 1099 190 101 THR N N 114.956 0.300 1 1100 191 102 THR H H 7.947 0.020 1 1101 191 102 THR HA H 3.987 0.020 1 1102 191 102 THR HB H 4.220 0.020 1 1103 191 102 THR HG2 H 0.844 0.020 1 1104 191 102 THR C C 176.694 0.300 1 1105 191 102 THR CA C 65.320 0.300 1 1106 191 102 THR CB C 69.027 0.300 1 1107 191 102 THR CG2 C 21.164 0.300 1 1108 191 102 THR N N 115.076 0.300 1 1109 192 103 THR H H 8.230 0.020 1 1110 192 103 THR HA H 4.364 0.020 1 1111 192 103 THR HB H 4.317 0.020 1 1112 192 103 THR HG2 H 1.291 0.020 1 1113 192 103 THR C C 177.746 0.300 1 1114 192 103 THR CA C 65.241 0.300 1 1115 192 103 THR CB C 69.038 0.300 1 1116 192 103 THR CG2 C 21.672 0.300 1 1117 192 103 THR N N 117.708 0.300 1 1118 193 104 THR H H 7.845 0.020 1 1119 193 104 THR HA H 4.147 0.020 1 1120 193 104 THR HB H 4.278 0.020 1 1121 193 104 THR HG2 H 1.296 0.020 1 1122 193 104 THR C C 175.077 0.300 1 1123 193 104 THR CA C 64.495 0.300 1 1124 193 104 THR CB C 69.019 0.300 1 1125 193 104 THR CG2 C 21.489 0.300 1 1126 193 104 THR N N 116.307 0.300 1 1127 194 105 LYS H H 7.557 0.020 1 1128 194 105 LYS HA H 4.315 0.020 1 1129 194 105 LYS HB2 H 1.856 0.020 2 1130 194 105 LYS HB3 H 2.054 0.020 2 1131 194 105 LYS HD2 H 1.624 0.020 2 1132 194 105 LYS HD3 H 1.652 0.020 2 1133 194 105 LYS HE2 H 2.880 0.020 2 1134 194 105 LYS HE3 H 2.898 0.020 2 1135 194 105 LYS HG2 H 1.457 0.020 2 1136 194 105 LYS HG3 H 1.441 0.020 2 1137 194 105 LYS C C 176.772 0.300 1 1138 194 105 LYS CA C 56.351 0.300 1 1139 194 105 LYS CB C 32.474 0.300 1 1140 194 105 LYS CD C 29.153 0.300 1 1141 194 105 LYS CE C 41.800 0.300 1 1142 194 105 LYS CG C 24.760 0.300 1 1143 194 105 LYS N N 120.035 0.300 1 1144 195 106 GLY H H 7.968 0.020 1 1145 195 106 GLY HA2 H 4.134 0.020 2 1146 195 106 GLY HA3 H 3.749 0.020 2 1147 195 106 GLY C C 174.198 0.300 1 1148 195 106 GLY CA C 45.369 0.300 1 1149 195 106 GLY N N 107.975 0.300 1 1150 196 107 GLU H H 7.434 0.020 1 1151 196 107 GLU HA H 4.252 0.020 1 1152 196 107 GLU HB2 H 1.520 0.020 2 1153 196 107 GLU HB3 H 1.522 0.020 2 1154 196 107 GLU HG2 H 2.054 0.020 2 1155 196 107 GLU HG3 H 2.008 0.020 2 1156 196 107 GLU C C 174.888 0.300 1 1157 196 107 GLU CA C 55.464 0.300 1 1158 196 107 GLU CB C 31.390 0.300 1 1159 196 107 GLU CG C 36.041 0.300 1 1160 196 107 GLU N N 119.895 0.300 1 1161 197 108 ASN H H 8.418 0.020 1 1162 197 108 ASN HA H 4.642 0.020 1 1163 197 108 ASN HB2 H 2.546 0.020 2 1164 197 108 ASN HB3 H 2.578 0.020 2 1165 197 108 ASN HD21 H 6.801 0.020 1 1166 197 108 ASN HD22 H 7.559 0.020 1 1167 197 108 ASN C C 173.711 0.300 1 1168 197 108 ASN CA C 52.678 0.300 1 1169 197 108 ASN CB C 41.311 0.300 1 1170 197 108 ASN N N 118.805 0.300 1 1171 197 108 ASN ND2 N 113.182 0.300 1 1172 198 109 PHE H H 8.727 0.020 1 1173 198 109 PHE HA H 5.372 0.020 1 1174 198 109 PHE HB2 H 3.093 0.020 2 1175 198 109 PHE HB3 H 2.877 0.020 2 1176 198 109 PHE HD1 H 7.307 0.020 1 1177 198 109 PHE HD2 H 7.307 0.020 1 1178 198 109 PHE HE1 H 7.506 0.020 1 1179 198 109 PHE HE2 H 7.506 0.020 1 1180 198 109 PHE HZ H 7.382 0.020 1 1181 198 109 PHE C C 176.490 0.300 1 1182 198 109 PHE CA C 56.378 0.300 1 1183 198 109 PHE CB C 40.543 0.300 1 1184 198 109 PHE CD1 C 131.081 0.300 1 1185 198 109 PHE CD2 C 131.081 0.300 1 1186 198 109 PHE CE1 C 130.392 0.300 1 1187 198 109 PHE CE2 C 130.392 0.300 1 1188 198 109 PHE CZ C 131.304 0.300 1 1189 198 109 PHE N N 121.345 0.300 1 1190 199 110 THR H H 9.630 0.020 1 1191 199 110 THR HA H 4.622 0.020 1 1192 199 110 THR HB H 4.800 0.020 1 1193 199 110 THR HG2 H 1.369 0.020 1 1194 199 110 THR C C 175.595 0.300 1 1195 199 110 THR CA C 60.271 0.300 1 1196 199 110 THR CB C 72.177 0.300 1 1197 199 110 THR CG2 C 21.609 0.300 1 1198 199 110 THR N N 115.772 0.300 1 1199 200 111 GLU H H 9.139 0.020 1 1200 200 111 GLU HA H 4.027 0.020 1 1201 200 111 GLU HB2 H 2.080 0.020 1 1202 200 111 GLU HB3 H 2.080 0.020 1 1203 200 111 GLU HG2 H 2.348 0.020 2 1204 200 111 GLU HG3 H 2.274 0.020 2 1205 200 111 GLU C C 179.175 0.300 1 1206 200 111 GLU CA C 60.090 0.300 1 1207 200 111 GLU CB C 29.204 0.300 1 1208 200 111 GLU CG C 36.478 0.300 1 1209 200 111 GLU N N 119.952 0.300 1 1210 201 112 THR H H 7.957 0.020 1 1211 201 112 THR HA H 3.775 0.020 1 1212 201 112 THR HB H 3.715 0.020 1 1213 201 112 THR HG2 H 0.670 0.020 1 1214 201 112 THR C C 175.736 0.300 1 1215 201 112 THR CA C 66.776 0.300 1 1216 201 112 THR CB C 68.635 0.300 1 1217 201 112 THR CG2 C 21.011 0.300 1 1218 201 112 THR N N 116.283 0.300 1 1219 202 113 ASP H H 7.492 0.020 1 1220 202 113 ASP HA H 4.532 0.020 1 1221 202 113 ASP HB2 H 3.376 0.020 2 1222 202 113 ASP HB3 H 2.689 0.020 2 1223 202 113 ASP C C 176.333 0.300 1 1224 202 113 ASP CA C 58.157 0.300 1 1225 202 113 ASP CB C 41.817 0.300 1 1226 202 113 ASP N N 119.963 0.300 1 1227 203 114 VAL H H 8.138 0.020 1 1228 203 114 VAL HA H 3.246 0.020 1 1229 203 114 VAL HB H 2.071 0.020 1 1230 203 114 VAL HG1 H 0.858 0.020 1 1231 203 114 VAL HG2 H 0.896 0.020 1 1232 203 114 VAL C C 177.369 0.300 1 1233 203 114 VAL CA C 67.971 0.300 1 1234 203 114 VAL CB C 31.481 0.300 1 1235 203 114 VAL CG1 C 21.333 0.300 1 1236 203 114 VAL CG2 C 22.671 0.300 1 1237 203 114 VAL N N 120.148 0.300 1 1238 204 115 LYS H H 7.722 0.020 1 1239 204 115 LYS HA H 4.041 0.020 1 1240 204 115 LYS HB2 H 1.945 0.020 2 1241 204 115 LYS HB3 H 1.890 0.020 2 1242 204 115 LYS HD2 H 1.659 0.020 1 1243 204 115 LYS HD3 H 1.659 0.020 1 1244 204 115 LYS HE2 H 2.920 0.020 2 1245 204 115 LYS HE3 H 2.906 0.020 2 1246 204 115 LYS HG2 H 1.447 0.020 2 1247 204 115 LYS HG3 H 1.591 0.020 2 1248 204 115 LYS C C 180.274 0.300 1 1249 204 115 LYS CA C 59.133 0.300 1 1250 204 115 LYS CB C 31.850 0.300 1 1251 204 115 LYS CD C 28.885 0.300 1 1252 204 115 LYS CE C 41.685 0.300 1 1253 204 115 LYS CG C 24.941 0.300 1 1254 204 115 LYS N N 118.865 0.300 1 1255 205 116 MET H H 8.185 0.020 1 1256 205 116 MET HA H 4.150 0.020 1 1257 205 116 MET HB2 H 2.290 0.020 2 1258 205 116 MET HB3 H 1.930 0.020 2 1259 205 116 MET HE H 1.564 0.020 1 1260 205 116 MET HG2 H 2.368 0.020 2 1261 205 116 MET HG3 H 2.998 0.020 2 1262 205 116 MET C C 178.248 0.300 1 1263 205 116 MET CA C 59.487 0.300 1 1264 205 116 MET CB C 32.604 0.300 1 1265 205 116 MET CE C 18.147 0.300 1 1266 205 116 MET CG C 34.111 0.300 1 1267 205 116 MET N N 118.262 0.300 1 1268 206 117 MET H H 8.604 0.020 1 1269 206 117 MET HA H 3.486 0.020 1 1270 206 117 MET HB2 H 2.201 0.020 2 1271 206 117 MET HB3 H 1.473 0.020 2 1272 206 117 MET HE H 1.265 0.020 1 1273 206 117 MET HG2 H 1.885 0.020 2 1274 206 117 MET HG3 H 1.566 0.020 2 1275 206 117 MET C C 178.186 0.300 1 1276 206 117 MET CA C 60.681 0.300 1 1277 206 117 MET CB C 34.302 0.300 1 1278 206 117 MET CE C 16.826 0.300 1 1279 206 117 MET CG C 32.295 0.300 1 1280 206 117 MET N N 117.517 0.300 1 1281 207 118 GLU H H 8.337 0.020 1 1282 207 118 GLU HA H 3.654 0.020 1 1283 207 118 GLU HB2 H 2.283 0.020 2 1284 207 118 GLU HB3 H 2.018 0.020 2 1285 207 118 GLU HG2 H 2.229 0.020 2 1286 207 118 GLU HG3 H 2.521 0.020 2 1287 207 118 GLU C C 178.531 0.300 1 1288 207 118 GLU CA C 60.805 0.300 1 1289 207 118 GLU CB C 29.017 0.300 1 1290 207 118 GLU CG C 36.312 0.300 1 1291 207 118 GLU N N 119.219 0.300 1 1292 208 119 ARG H H 7.253 0.020 1 1293 208 119 ARG HA H 4.116 0.020 1 1294 208 119 ARG HB2 H 2.116 0.020 2 1295 208 119 ARG HB3 H 2.084 0.020 2 1296 208 119 ARG HD2 H 3.183 0.020 2 1297 208 119 ARG HD3 H 3.136 0.020 2 1298 208 119 ARG HG2 H 1.762 0.020 2 1299 208 119 ARG HG3 H 1.828 0.020 2 1300 208 119 ARG C C 177.510 0.300 1 1301 208 119 ARG CA C 57.528 0.300 1 1302 208 119 ARG CB C 29.608 0.300 1 1303 208 119 ARG CD C 42.418 0.300 1 1304 208 119 ARG CG C 26.897 0.300 1 1305 208 119 ARG N N 116.185 0.300 1 1306 209 120 VAL H H 7.721 0.020 1 1307 209 120 VAL HA H 3.876 0.020 1 1308 209 120 VAL HB H 1.878 0.020 1 1309 209 120 VAL HG1 H 1.327 0.020 1 1310 209 120 VAL HG2 H 1.118 0.020 1 1311 209 120 VAL C C 176.725 0.300 1 1312 209 120 VAL CA C 64.735 0.300 1 1313 209 120 VAL CB C 33.133 0.300 1 1314 209 120 VAL CG1 C 23.953 0.300 1 1315 209 120 VAL CG2 C 21.876 0.300 1 1316 209 120 VAL N N 116.405 0.300 1 1317 210 121 VAL H H 8.641 0.020 1 1318 210 121 VAL HA H 3.920 0.020 1 1319 210 121 VAL HB H 2.192 0.020 1 1320 210 121 VAL HG1 H 1.118 0.020 1 1321 210 121 VAL HG2 H 0.974 0.020 1 1322 210 121 VAL C C 177.620 0.300 1 1323 210 121 VAL CA C 64.708 0.300 1 1324 210 121 VAL CB C 32.163 0.300 1 1325 210 121 VAL CG1 C 24.303 0.300 1 1326 210 121 VAL CG2 C 23.525 0.300 1 1327 210 121 VAL N N 115.487 0.300 1 1328 211 122 GLU H H 7.884 0.020 1 1329 211 122 GLU HA H 4.448 0.020 1 1330 211 122 GLU HB2 H 2.166 0.020 2 1331 211 122 GLU HB3 H 2.194 0.020 2 1332 211 122 GLU HG2 H 1.982 0.020 2 1333 211 122 GLU HG3 H 2.065 0.020 2 1334 211 122 GLU CA C 63.089 0.300 1 1335 211 122 GLU CB C 27.222 0.300 1 1336 211 122 GLU CG C 36.754 0.300 1 1337 211 122 GLU N N 120.983 0.300 1 1338 212 123 PRO HA H 4.271 0.020 1 1339 212 123 PRO HB2 H 2.303 0.020 2 1340 212 123 PRO HB3 H 1.804 0.020 2 1341 212 123 PRO HD2 H 3.528 0.020 2 1342 212 123 PRO HD3 H 3.694 0.020 2 1343 212 123 PRO HG2 H 1.957 0.020 2 1344 212 123 PRO HG3 H 1.856 0.020 2 1345 212 123 PRO C C 179.866 0.300 1 1346 212 123 PRO CA C 66.039 0.300 1 1347 212 123 PRO CB C 30.766 0.300 1 1348 212 123 PRO CD C 50.759 0.300 1 1349 212 123 PRO CG C 28.372 0.300 1 1350 213 124 MET H H 6.821 0.020 1 1351 213 124 MET HA H 4.169 0.020 1 1352 213 124 MET HB2 H 2.037 0.020 2 1353 213 124 MET HB3 H 2.305 0.020 2 1354 213 124 MET HE H 1.892 0.020 1 1355 213 124 MET HG2 H 2.422 0.020 2 1356 213 124 MET HG3 H 2.903 0.020 2 1357 213 124 MET C C 178.814 0.300 1 1358 213 124 MET CA C 59.773 0.300 1 1359 213 124 MET CB C 33.741 0.300 1 1360 213 124 MET CE C 17.395 0.300 1 1361 213 124 MET CG C 32.691 0.300 1 1362 213 124 MET N N 116.612 0.300 1 1363 214 125 CYS H H 8.730 0.020 1 1364 214 125 CYS HA H 4.384 0.020 1 1365 214 125 CYS HB2 H 2.875 0.020 2 1366 214 125 CYS HB3 H 3.547 0.020 2 1367 214 125 CYS C C 177.008 0.300 1 1368 214 125 CYS CA C 59.267 0.300 1 1369 214 125 CYS CB C 41.465 0.300 1 1370 214 125 CYS N N 119.956 0.300 1 1371 215 126 ILE H H 8.468 0.020 1 1372 215 126 ILE HA H 3.553 0.020 1 1373 215 126 ILE HB H 1.941 0.020 1 1374 215 126 ILE HD1 H 0.820 0.020 1 1375 215 126 ILE HG12 H 0.948 0.020 2 1376 215 126 ILE HG13 H 0.849 0.020 2 1377 215 126 ILE HG2 H 0.874 0.020 1 1378 215 126 ILE C C 177.934 0.300 1 1379 215 126 ILE CA C 66.554 0.300 1 1380 215 126 ILE CB C 37.857 0.300 1 1381 215 126 ILE CD1 C 13.798 0.300 1 1382 215 126 ILE CG1 C 30.734 0.300 1 1383 215 126 ILE CG2 C 17.220 0.300 1 1384 215 126 ILE N N 123.632 0.300 1 1385 216 127 THR H H 8.237 0.020 1 1386 216 127 THR HA H 3.946 0.020 1 1387 216 127 THR HB H 4.240 0.020 1 1388 216 127 THR HG2 H 1.178 0.020 1 1389 216 127 THR CA C 67.145 0.300 1 1390 216 127 THR CB C 68.375 0.300 1 1391 216 127 THR CG2 C 21.896 0.300 1 1392 216 127 THR N N 118.501 0.300 1 1393 217 128 GLN HA H 3.660 0.020 1 1394 217 128 GLN HB2 H 2.106 0.020 2 1395 217 128 GLN HB3 H 2.170 0.020 2 1396 217 128 GLN HE21 H 6.738 0.020 1 1397 217 128 GLN HE22 H 7.173 0.020 1 1398 217 128 GLN HG2 H 1.710 0.020 2 1399 217 128 GLN HG3 H 1.667 0.020 2 1400 217 128 GLN CA C 58.425 0.300 1 1401 217 128 GLN CB C 27.659 0.300 1 1402 217 128 GLN CG C 32.700 0.300 1 1403 217 128 GLN NE2 N 114.758 0.300 1 1404 218 129 TYR H H 8.498 0.020 1 1405 218 129 TYR HA H 2.872 0.020 1 1406 218 129 TYR HB2 H 2.730 0.020 2 1407 218 129 TYR HB3 H 3.079 0.020 2 1408 218 129 TYR HD1 H 6.291 0.020 1 1409 218 129 TYR HD2 H 6.291 0.020 1 1410 218 129 TYR HE1 H 6.599 0.020 1 1411 218 129 TYR HE2 H 6.599 0.020 1 1412 218 129 TYR C C 177.919 0.300 1 1413 218 129 TYR CA C 62.083 0.300 1 1414 218 129 TYR CB C 37.070 0.300 1 1415 218 129 TYR CD1 C 132.477 0.300 1 1416 218 129 TYR CD2 C 132.477 0.300 1 1417 218 129 TYR CE1 C 117.783 0.300 1 1418 218 129 TYR CE2 C 117.783 0.300 1 1419 218 129 TYR N N 120.686 0.300 1 1420 219 130 GLU H H 8.315 0.020 1 1421 219 130 GLU HA H 3.652 0.020 1 1422 219 130 GLU HB2 H 2.026 0.020 2 1423 219 130 GLU HB3 H 2.290 0.020 2 1424 219 130 GLU HG2 H 2.505 0.020 2 1425 219 130 GLU HG3 H 2.227 0.020 2 1426 219 130 GLU CA C 59.753 0.300 1 1427 219 130 GLU CB C 29.019 0.300 1 1428 219 130 GLU CG C 36.764 0.300 1 1429 219 130 GLU N N 121.308 0.300 1 1430 220 131 ARG H H 8.246 0.020 1 1431 220 131 ARG HA H 3.947 0.020 1 1432 220 131 ARG HB2 H 1.793 0.020 2 1433 220 131 ARG HB3 H 1.828 0.020 2 1434 220 131 ARG HD2 H 2.937 0.020 2 1435 220 131 ARG HD3 H 3.069 0.020 2 1436 220 131 ARG HG2 H 1.568 0.020 2 1437 220 131 ARG HG3 H 1.782 0.020 2 1438 220 131 ARG C C 179.803 0.300 1 1439 220 131 ARG CA C 59.337 0.300 1 1440 220 131 ARG CB C 29.808 0.300 1 1441 220 131 ARG CD C 43.634 0.300 1 1442 220 131 ARG CG C 27.415 0.300 1 1443 220 131 ARG N N 119.105 0.300 1 1444 221 132 GLU H H 8.586 0.020 1 1445 221 132 GLU HA H 4.005 0.020 1 1446 221 132 GLU HB2 H 2.359 0.020 2 1447 221 132 GLU HB3 H 2.051 0.020 2 1448 221 132 GLU HG2 H 2.498 0.020 2 1449 221 132 GLU HG3 H 2.363 0.020 2 1450 221 132 GLU C C 178.971 0.300 1 1451 221 132 GLU CA C 58.157 0.300 1 1452 221 132 GLU CB C 29.431 0.300 1 1453 221 132 GLU CG C 36.948 0.300 1 1454 221 132 GLU N N 119.899 0.300 1 1455 222 133 SER H H 8.573 0.020 1 1456 222 133 SER HA H 3.843 0.020 1 1457 222 133 SER HB2 H 3.513 0.020 2 1458 222 133 SER HB3 H 3.304 0.020 2 1459 222 133 SER C C 176.019 0.300 1 1460 222 133 SER CA C 61.626 0.300 1 1461 222 133 SER CB C 62.213 0.300 1 1462 222 133 SER N N 116.318 0.300 1 1463 223 134 GLN H H 7.563 0.020 1 1464 223 134 GLN HA H 4.094 0.020 1 1465 223 134 GLN HB2 H 2.091 0.020 1 1466 223 134 GLN HB3 H 2.091 0.020 1 1467 223 134 GLN HE21 H 7.467 0.020 1 1468 223 134 GLN HE22 H 6.833 0.020 1 1469 223 134 GLN HG2 H 2.493 0.020 2 1470 223 134 GLN HG3 H 2.370 0.020 2 1471 223 134 GLN C C 178.186 0.300 1 1472 223 134 GLN CA C 58.728 0.300 1 1473 223 134 GLN CB C 28.149 0.300 1 1474 223 134 GLN CG C 33.932 0.300 1 1475 223 134 GLN N N 120.551 0.300 1 1476 223 134 GLN NE2 N 111.793 0.300 1 1477 224 135 ALA H H 7.547 0.020 1 1478 224 135 ALA HA H 4.117 0.020 1 1479 224 135 ALA HB H 1.420 0.020 1 1480 224 135 ALA C C 179.489 0.300 1 1481 224 135 ALA CA C 54.504 0.300 1 1482 224 135 ALA CB C 18.248 0.300 1 1483 224 135 ALA N N 121.013 0.300 1 1484 225 136 TYR H H 8.267 0.020 1 1485 225 136 TYR HA H 4.027 0.020 1 1486 225 136 TYR HB2 H 3.043 0.020 2 1487 225 136 TYR HB3 H 2.860 0.020 2 1488 225 136 TYR HD1 H 6.655 0.020 1 1489 225 136 TYR HD2 H 6.655 0.020 1 1490 225 136 TYR HE1 H 6.837 0.020 1 1491 225 136 TYR HE2 H 6.837 0.020 1 1492 225 136 TYR C C 177.950 0.300 1 1493 225 136 TYR CA C 61.136 0.300 1 1494 225 136 TYR CB C 38.975 0.300 1 1495 225 136 TYR CD1 C 133.168 0.300 1 1496 225 136 TYR CD2 C 133.168 0.300 1 1497 225 136 TYR CE1 C 118.100 0.300 1 1498 225 136 TYR CE2 C 118.100 0.300 1 1499 225 136 TYR N N 120.107 0.300 1 1500 226 137 TYR H H 8.077 0.020 1 1501 226 137 TYR HA H 4.257 0.020 1 1502 226 137 TYR HB2 H 2.940 0.020 2 1503 226 137 TYR HB3 H 3.147 0.020 2 1504 226 137 TYR HD1 H 7.206 0.020 1 1505 226 137 TYR HD2 H 7.206 0.020 1 1506 226 137 TYR HE1 H 7.015 0.020 1 1507 226 137 TYR HE2 H 7.015 0.020 1 1508 226 137 TYR C C 177.573 0.300 1 1509 226 137 TYR CA C 59.971 0.300 1 1510 226 137 TYR CB C 37.801 0.300 1 1511 226 137 TYR CD1 C 133.149 0.300 1 1512 226 137 TYR CD2 C 133.149 0.300 1 1513 226 137 TYR CE1 C 118.400 0.300 1 1514 226 137 TYR CE2 C 118.400 0.300 1 1515 226 137 TYR N N 118.021 0.300 1 1516 227 138 GLN H H 7.870 0.020 1 1517 227 138 GLN HA H 4.142 0.020 1 1518 227 138 GLN HB2 H 2.078 0.020 2 1519 227 138 GLN HB3 H 2.124 0.020 2 1520 227 138 GLN HE21 H 7.521 0.020 1 1521 227 138 GLN HE22 H 6.835 0.020 1 1522 227 138 GLN HG2 H 2.367 0.020 2 1523 227 138 GLN HG3 H 2.422 0.020 2 1524 227 138 GLN C C 177.024 0.300 1 1525 227 138 GLN CA C 57.105 0.300 1 1526 227 138 GLN CB C 28.675 0.300 1 1527 227 138 GLN CG C 33.914 0.300 1 1528 227 138 GLN N N 118.761 0.300 1 1529 227 138 GLN NE2 N 111.915 0.300 1 1530 228 139 ARG H H 7.874 0.020 1 1531 228 139 ARG HA H 4.167 0.020 1 1532 228 139 ARG HB2 H 1.786 0.020 1 1533 228 139 ARG HB3 H 1.786 0.020 1 1534 228 139 ARG HD2 H 3.054 0.020 2 1535 228 139 ARG HD3 H 3.134 0.020 2 1536 228 139 ARG HG2 H 1.547 0.020 2 1537 228 139 ARG HG3 H 1.694 0.020 2 1538 228 139 ARG C C 177.463 0.300 1 1539 228 139 ARG CA C 57.497 0.300 1 1540 228 139 ARG CB C 30.540 0.300 1 1541 228 139 ARG CD C 43.587 0.300 1 1542 228 139 ARG CG C 27.080 0.300 1 1543 228 139 ARG N N 119.734 0.300 1 1544 229 140 GLY H H 8.074 0.020 1 1545 229 140 GLY HA2 H 3.858 0.020 1 1546 229 140 GLY HA3 H 3.858 0.020 1 1547 229 140 GLY C C 174.527 0.300 1 1548 229 140 GLY CA C 45.703 0.300 1 1549 229 140 GLY N N 108.508 0.300 1 1550 230 141 SER H H 8.046 0.020 1 1551 230 141 SER HA H 4.311 0.020 1 1552 230 141 SER HB2 H 3.811 0.020 1 1553 230 141 SER HB3 H 3.811 0.020 1 1554 230 141 SER C C 174.983 0.300 1 1555 230 141 SER CA C 58.696 0.300 1 1556 230 141 SER CB C 63.640 0.300 1 1557 230 141 SER N N 115.143 0.300 1 1558 231 142 SER H H 8.223 0.020 1 1559 231 142 SER HA H 4.330 0.020 1 1560 231 142 SER HB2 H 3.767 0.020 1 1561 231 142 SER HB3 H 3.767 0.020 1 1562 231 142 SER C C 174.527 0.300 1 1563 231 142 SER CA C 58.697 0.300 1 1564 231 142 SER CB C 63.521 0.300 1 1565 231 142 SER N N 117.104 0.300 1 1566 232 143 HIS H H 8.240 0.020 1 1567 232 143 HIS HA H 4.579 0.020 1 1568 232 143 HIS HB2 H 3.060 0.020 2 1569 232 143 HIS HB3 H 2.968 0.020 2 1570 232 143 HIS HD2 H 7.035 0.020 1 1571 232 143 HIS C C 173.695 0.300 1 1572 232 143 HIS CA C 55.654 0.300 1 1573 232 143 HIS CB C 29.786 0.300 1 1574 232 143 HIS N N 119.761 0.300 1 1575 233 144 HIS H H 8.277 0.020 1 1576 233 144 HIS HA H 4.126 0.020 1 1577 233 144 HIS CA C 57.175 0.300 1 1578 233 144 HIS CB C 29.714 0.300 1 1579 233 144 HIS N N 125.356 0.300 1 stop_ save_