data_18426 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution-state NMR structure of the human prion protein ; _BMRB_accession_number 18426 _BMRB_flat_file_name bmr18426.str _Entry_type original _Submission_date 2012-04-26 _Accession_date 2012-04-26 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Biljan Ivana . . 2 Ilc Gregor . . 3 Giancin Gabriele . . 4 Zhukov Igor . . 5 Plavec Janez . . 6 Legname Guiseppe . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 810 "13C chemical shifts" 461 "15N chemical shifts" 150 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2013-02-11 update BMRB 'update entry citation' 2012-06-18 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Structural basis for the protective effect of the human prion protein carrying the dominant-negative E219K polymorphism.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 22676969 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Biljan Ivana . . 2 Giachin Gabriele . . 3 Ilc Gregor . . 4 Zhukov Igor . . 5 Plavec Janez . . 6 Legname Giuseppe . . stop_ _Journal_abbreviation 'Biochem. J.' _Journal_name_full 'The Biochemical journal' _Journal_volume 446 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 243 _Page_last 251 _Year 2012 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'human prion protein' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'human prion protein' $huPrP stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_huPrP _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity _Molecular_mass 16169.103 _Mol_thiol_state 'all disulfide bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 142 _Mol_residue_sequence ; GQGGGTHSQWNKPSKPKTNM KHMAGAAAAGAVVGGLGGYM LGSAMSRPIIHFGSDYEDRY YRENMHRYPNQVYYRPMDEY SNQNNFVHDCVNITIKQHTV TTTTKGENFTETDVKMMERV VEQMCITQYERESQAYYQRG SS ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 90 GLY 2 91 GLN 3 92 GLY 4 93 GLY 5 94 GLY 6 95 THR 7 96 HIS 8 97 SER 9 98 GLN 10 99 TRP 11 100 ASN 12 101 LYS 13 102 PRO 14 103 SER 15 104 LYS 16 105 PRO 17 106 LYS 18 107 THR 19 108 ASN 20 109 MET 21 110 LYS 22 111 HIS 23 112 MET 24 113 ALA 25 114 GLY 26 115 ALA 27 116 ALA 28 117 ALA 29 118 ALA 30 119 GLY 31 120 ALA 32 121 VAL 33 122 VAL 34 123 GLY 35 124 GLY 36 125 LEU 37 126 GLY 38 127 GLY 39 128 TYR 40 129 MET 41 130 LEU 42 131 GLY 43 132 SER 44 133 ALA 45 134 MET 46 135 SER 47 136 ARG 48 137 PRO 49 138 ILE 50 139 ILE 51 140 HIS 52 141 PHE 53 142 GLY 54 143 SER 55 144 ASP 56 145 TYR 57 146 GLU 58 147 ASP 59 148 ARG 60 149 TYR 61 150 TYR 62 151 ARG 63 152 GLU 64 153 ASN 65 154 MET 66 155 HIS 67 156 ARG 68 157 TYR 69 158 PRO 70 159 ASN 71 160 GLN 72 161 VAL 73 162 TYR 74 163 TYR 75 164 ARG 76 165 PRO 77 166 MET 78 167 ASP 79 168 GLU 80 169 TYR 81 170 SER 82 171 ASN 83 172 GLN 84 173 ASN 85 174 ASN 86 175 PHE 87 176 VAL 88 177 HIS 89 178 ASP 90 179 CYS 91 180 VAL 92 181 ASN 93 182 ILE 94 183 THR 95 184 ILE 96 185 LYS 97 186 GLN 98 187 HIS 99 188 THR 100 189 VAL 101 190 THR 102 191 THR 103 192 THR 104 193 THR 105 194 LYS 106 195 GLY 107 196 GLU 108 197 ASN 109 198 PHE 110 199 THR 111 200 GLU 112 201 THR 113 202 ASP 114 203 VAL 115 204 LYS 116 205 MET 117 206 MET 118 207 GLU 119 208 ARG 120 209 VAL 121 210 VAL 122 211 GLU 123 212 GLN 124 213 MET 125 214 CYS 126 215 ILE 127 216 THR 128 217 GLN 129 218 TYR 130 219 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 stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-08-12 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value BMRB 15676 V129/D178N_prion_protein 100.00 146 98.59 100.00 2.35e-100 BMRB 16743 "HuPrP(90-231 M129 Q212P)" 100.00 148 99.30 99.30 1.43e-100 BMRB 16757 PrP^(91-231) 100.00 145 97.89 100.00 7.91e-100 BMRB 17714 HuPrP 100.00 147 99.30 100.00 1.35e-101 BMRB 17756 hPrP(121-230) 77.46 113 100.00 100.00 1.66e-75 BMRB 17757 hPrP(121-230) 77.46 113 98.18 98.18 1.10e-72 BMRB 17780 Hpp_E219K 100.00 142 99.30 100.00 2.64e-101 BMRB 18550 V210I 100.00 147 99.30 100.00 1.35e-101 BMRB 19268 MAJOR_PRION_PROTEIN 100.00 146 99.30 100.00 3.40e-101 BMRB 4379 "human prion protein" 78.87 112 99.11 100.00 8.35e-77 BMRB 4402 "human prion protein" 99.30 210 100.00 100.00 6.76e-100 BMRB 4434 "human prion protein" 99.30 143 100.00 100.00 3.36e-101 BMRB 4620 "prion protein" 78.87 112 98.21 100.00 2.20e-76 BMRB 4641 "PRION PROTEIN" 100.00 146 99.30 100.00 3.29e-101 BMRB 4736 "human prion protein" 78.87 112 98.21 100.00 3.49e-76 PDB 1E1G "Human Prion Protein Variant M166v" 72.54 104 99.03 100.00 8.92e-70 PDB 1E1J "Human Prion Protein Variant M166v" 72.54 104 99.03 100.00 8.92e-70 PDB 1E1P "Human Prion Protein Variant S170n" 72.54 104 99.03 100.00 7.66e-70 PDB 1E1S "Human Prion Protein Variant S170n" 72.54 104 99.03 100.00 7.66e-70 PDB 1E1U "Human Prion Protein Variant R220k" 72.54 104 99.03 100.00 5.28e-70 PDB 1E1W "Human Prion Protein Variant R220k" 72.54 104 99.03 100.00 5.28e-70 PDB 1FKC "Human Prion Protein (Mutant E200k) Fragment 90-231" 100.00 142 99.30 100.00 2.64e-101 PDB 1FO7 "Human Prion Protein Mutant E200k Fragment 90-231" 100.00 142 99.30 100.00 2.64e-101 PDB 1H0L "Human Prion Protein 121-230 M166c/e221c" 78.17 112 97.30 98.20 9.38e-74 PDB 1HJM "Human Prion Protein At Ph 7.0" 72.54 104 100.00 100.00 1.78e-70 PDB 1HJN "Human Prion Protein At Ph 7.0" 72.54 104 100.00 100.00 1.78e-70 PDB 1I4M "Crystal Structure Of The Human Prion Protein Reveals A Mechanism For Oligomerization" 76.06 108 100.00 100.00 3.10e-74 PDB 1QLX "Human Prion Protein" 99.30 210 100.00 100.00 6.76e-100 PDB 1QLZ "Human Prion Protein" 99.30 210 100.00 100.00 6.76e-100 PDB 1QM0 "Human Prion Protein Fragment 90-230" 99.30 143 100.00 100.00 3.36e-101 PDB 1QM1 "Human Prion Protein Fragment 90-230" 99.30 143 100.00 100.00 3.36e-101 PDB 1QM2 "Human Prion Protein Fragment 121-230" 78.87 112 99.11 100.00 8.35e-77 PDB 1QM3 "Human Prion Protein Fragment 121-230" 78.87 112 99.11 100.00 8.35e-77 PDB 2K1D "Nmr Studies Of A Pathogenic Mutant (d178n) Of The Human Prion Protein" 100.00 146 98.59 100.00 2.35e-100 PDB 2KUN "Three Dimensional Structure Of Huprp(90-231 M129 Q212p)" 100.00 148 99.30 99.30 1.43e-100 PDB 2LEJ "Human Prion Protein Mutant Huprp(90-231, M129, V210i)" 100.00 147 99.30 100.00 1.35e-101 PDB 2LFT "Human Prion Protein With E219k Protective Polymorphism" 100.00 142 99.30 100.00 2.64e-101 PDB 2LSB "Solution-State Nmr Structure Of The Human Prion Protein" 100.00 142 100.00 100.00 6.17e-102 PDB 2LV1 "Solution-state Nmr Structure Of Prion Protein Mutant V210i At Neutral Ph" 100.00 147 99.30 100.00 1.35e-101 PDB 2M8T "Solution Nmr Structure Of The V209m Variant Of The Human Prion Protein (residues 90-231)" 100.00 146 99.30 100.00 3.40e-101 PDB 2W9E "Structure Of Icsm 18 (Anti-Prp Therapeutic Antibody) Fab Fragment Complexed With Human Prp Fragment 119-231" 79.58 113 100.00 100.00 5.45e-78 PDB 3HAF "Human Prion Protein Variant V129 Domain Swapped Dimer" 100.00 142 99.30 100.00 3.11e-101 PDB 3HAK "Human Prion Protein Variant V129" 72.54 103 99.03 100.00 7.50e-70 PDB 3HEQ "Human Prion Protein Variant D178n With M129" 100.00 142 99.30 100.00 3.36e-101 PDB 3HER "Human Prion Protein Variant F198s With V129" 100.00 142 98.59 99.30 5.50e-100 PDB 3HES "Human Prion Protein Variant F198s With M129" 100.00 142 99.30 99.30 1.30e-100 PDB 3HJ5 "Human Prion Protein Variant V129 Domain Swapped Dimer" 100.00 142 99.30 100.00 3.11e-101 PDB 3HJX "Human Prion Protein Variant D178n With V129" 74.65 106 98.11 100.00 3.68e-71 PDB 4DGI "Structure Of Pom1 Fab Fragment Complexed With Human Prpc Fragment 120- 230" 78.17 111 100.00 100.00 1.56e-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" 100.00 241 100.00 100.00 2.92e-100 PDB 4N9O "Probing The N-terminal Beta-sheet Conversion In The Crystal Structure Of The Human Prion Protein Bound To A Nanobody" 100.00 142 100.00 100.00 6.17e-102 DBJ BAA00011 "prion protein [Homo sapiens]" 100.00 245 99.30 99.30 2.29e-97 DBJ BAF62360 "prion protein, transcript variant 2 [Pan troglodytes verus]" 100.00 253 98.59 100.00 1.26e-98 DBJ BAG32276 "prion [Homo sapiens]" 100.00 253 100.00 100.00 9.34e-100 DBJ BAG32277 "prion [Homo sapiens]" 100.00 253 99.30 100.00 3.49e-99 DBJ BAG32278 "alternatively spliced variant form of prion [Homo sapiens]" 90.14 230 100.00 100.00 2.65e-89 EMBL CAA58442 "prion protein [Homo sapiens]" 100.00 245 100.00 100.00 6.29e-100 EMBL CAG46836 "PRNP [Homo sapiens]" 100.00 253 98.59 99.30 1.14e-96 EMBL CAG46869 "PRNP [Homo sapiens]" 100.00 253 99.30 100.00 3.49e-99 EMBL CAH92912 "hypothetical protein [Pongo abelii]" 100.00 253 97.18 100.00 3.01e-97 GB AAA19664 "prion protein [Homo sapiens]" 100.00 245 99.30 99.30 2.29e-97 GB AAA60182 "prion protein [Homo sapiens]" 100.00 253 100.00 100.00 9.34e-100 GB AAA68632 "major prion protein precursor [Pan troglodytes]" 100.00 253 98.59 100.00 1.26e-98 GB AAA68633 "major prion protein precursor [Gorilla gorilla]" 100.00 253 99.30 100.00 1.86e-99 GB AAB59442 "prion protein, partial [Homo sapiens]" 100.00 224 100.00 100.00 4.14e-100 REF NP_000302 "major prion protein preproprotein [Homo sapiens]" 100.00 253 100.00 100.00 9.34e-100 REF NP_001009093 "major prion protein preproprotein [Pan troglodytes]" 100.00 253 98.59 100.00 1.26e-98 REF NP_001073590 "major prion protein preproprotein [Homo sapiens]" 100.00 253 100.00 100.00 9.34e-100 REF NP_001073591 "major prion protein preproprotein [Homo sapiens]" 100.00 253 100.00 100.00 9.34e-100 REF NP_001073592 "major prion protein preproprotein [Homo sapiens]" 100.00 253 100.00 100.00 9.34e-100 SP P04156 "RecName: Full=Major prion protein; Short=PrP; AltName: Full=ASCR; AltName: Full=PrP27-30; AltName: Full=PrP33-35C; AltName: CD_" 100.00 253 100.00 100.00 9.34e-100 SP P40252 "RecName: Full=Major prion protein; Short=PrP; AltName: Full=PrP27-30; AltName: Full=PrP33-35C; AltName: CD_antigen=CD230; Flags" 100.00 253 99.30 100.00 2.36e-99 SP P40256 "RecName: Full=Major prion protein; Short=PrP; AltName: Full=PrP27-30; AltName: Full=PrP33-35C; AltName: CD_antigen=CD230; Flags" 100.00 253 97.18 100.00 3.01e-97 SP P61766 "RecName: Full=Major prion protein; Short=PrP; AltName: Full=PrP27-30; AltName: Full=PrP33-35C; AltName: CD_antigen=CD230; Flags" 100.00 253 98.59 100.00 1.26e-98 SP P61767 "RecName: Full=Major prion protein; Short=PrP; AltName: Full=PrP27-30; AltName: Full=PrP33-35C; AltName: CD_antigen=CD230; Flags" 100.00 253 98.59 100.00 1.26e-98 TPE CAJ43808 "TPA: prion protein PrP [Pongo abelii]" 100.00 253 97.18 100.00 3.01e-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 $huPrP Human 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $huPrP 'recombinant technology' . Escherichia coli . pProExHTa stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $huPrP 1.5 mM '[U-100% 13C; U-100% 15N]' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $huPrP 1.5 mM '[U-100% 13C; U-100% 15N]' D2O 100 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version . loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_YASARA _Saveframe_category software _Name YASARA _Version . loop_ _Vendor _Address _Electronic_address (YASARA) . . stop_ loop_ _Task refinement stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model 'Uniform NMR System' _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_HNCO_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_2 save_ save_3D_1H-13C_NOESY_aliphatic_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_2 save_ save_3D_1H-13C_NOESY_aromatic_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _Sample_label $sample_2 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.1 . M pH 5.5 . pH pressure 1 . atm temperature 298 . K stop_ save_ save_sample_conditions_2 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.1 . M pD 5.9 . pH temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D 1H-13C NOESY aliphatic' '3D 1H-13C NOESY aromatic' stop_ loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'human prion protein' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 91 2 GLN H H 8.385 0.020 1 2 91 2 GLN HA H 4.391 0.020 1 3 91 2 GLN HB2 H 2.110 0.020 1 4 91 2 GLN HB3 H 1.979 0.020 1 5 91 2 GLN HG2 H 2.355 0.020 2 6 91 2 GLN HG3 H 2.354 0.020 2 7 91 2 GLN HE21 H 7.533 0.020 1 8 91 2 GLN HE22 H 6.855 0.020 1 9 91 2 GLN CA C 55.994 0.200 1 10 91 2 GLN CB C 29.590 0.200 1 11 91 2 GLN CG C 33.681 0.200 1 12 91 2 GLN N N 119.896 0.200 1 13 91 2 GLN NE2 N 112.299 0.200 1 14 92 3 GLY H H 8.631 0.020 1 15 92 3 GLY HA2 H 3.981 0.020 1 16 92 3 GLY HA3 H 3.984 0.020 1 17 92 3 GLY CA C 45.166 0.200 1 18 92 3 GLY N N 110.849 0.200 1 19 93 4 GLY H H 8.329 0.020 1 20 93 4 GLY HA2 H 3.985 0.020 2 21 93 4 GLY HA3 H 3.985 0.020 2 22 93 4 GLY CA C 45.164 0.200 1 23 93 4 GLY N N 108.763 0.200 1 24 94 5 GLY H H 8.366 0.020 1 25 94 5 GLY HA2 H 3.986 0.020 2 26 94 5 GLY HA3 H 3.986 0.020 2 27 94 5 GLY CA C 45.138 0.200 1 28 94 5 GLY N N 108.863 0.200 1 29 95 6 THR H H 8.132 0.020 1 30 95 6 THR HA H 4.266 0.020 1 31 95 6 THR HB H 4.145 0.020 1 32 95 6 THR HG2 H 1.132 0.020 1 33 95 6 THR CA C 61.929 0.200 1 34 95 6 THR CB C 69.595 0.200 1 35 95 6 THR CG2 C 21.446 0.200 1 36 95 6 THR N N 113.518 0.200 1 37 96 7 HIS H H 8.527 0.020 1 38 96 7 HIS HA H 4.690 0.020 1 39 96 7 HIS HB2 H 3.185 0.020 1 40 96 7 HIS HB3 H 3.120 0.020 1 41 96 7 HIS HD2 H 7.217 0.020 1 42 96 7 HIS CA C 55.265 0.200 1 43 96 7 HIS CB C 29.274 0.200 1 44 96 7 HIS CD2 C 120.212 0.200 1 45 96 7 HIS N N 120.890 0.200 1 46 97 8 SER H H 8.295 0.020 1 47 97 8 SER HA H 4.342 0.020 1 48 97 8 SER HB2 H 3.787 0.020 1 49 97 8 SER HB3 H 3.739 0.020 1 50 97 8 SER CA C 58.500 0.200 1 51 97 8 SER CB C 63.571 0.200 1 52 97 8 SER N N 117.033 0.200 1 53 98 9 GLN H H 8.466 0.020 1 54 98 9 GLN HA H 4.261 0.020 1 55 98 9 GLN HB2 H 1.937 0.020 1 56 98 9 GLN HB3 H 1.845 0.020 1 57 98 9 GLN HG2 H 2.139 0.020 2 58 98 9 GLN HG3 H 2.139 0.020 2 59 98 9 GLN HE21 H 7.393 0.020 1 60 98 9 GLN HE22 H 6.826 0.020 1 61 98 9 GLN CA C 55.999 0.200 1 62 98 9 GLN CB C 29.178 0.200 1 63 98 9 GLN CG C 33.468 0.200 1 64 98 9 GLN N N 122.075 0.200 1 65 98 9 GLN NE2 N 112.255 0.200 1 66 99 10 TRP H H 8.098 0.020 1 67 99 10 TRP HA H 4.660 0.020 1 68 99 10 TRP HB2 H 3.280 0.020 1 69 99 10 TRP HB3 H 3.179 0.020 1 70 99 10 TRP HD1 H 7.228 0.020 1 71 99 10 TRP HE1 H 10.113 0.020 1 72 99 10 TRP HE3 H 7.598 0.020 1 73 99 10 TRP HZ2 H 7.451 0.020 1 74 99 10 TRP HZ3 H 7.119 0.020 1 75 99 10 TRP HH2 H 7.206 0.020 1 76 99 10 TRP CA C 57.070 0.200 1 77 99 10 TRP CB C 29.463 0.200 1 78 99 10 TRP CD1 C 126.960 0.200 1 79 99 10 TRP CE3 C 120.899 0.200 1 80 99 10 TRP CZ2 C 114.556 0.200 1 81 99 10 TRP CZ3 C 122.030 0.200 1 82 99 10 TRP CH2 C 124.659 0.200 1 83 99 10 TRP N N 121.650 0.200 1 84 99 10 TRP NE1 N 129.308 0.200 1 85 100 11 ASN H H 8.105 0.020 1 86 100 11 ASN HA H 4.587 0.020 1 87 100 11 ASN HB2 H 2.541 0.020 1 88 100 11 ASN HB3 H 2.520 0.020 1 89 100 11 ASN HD21 H 7.457 0.020 1 90 100 11 ASN HD22 H 6.823 0.020 1 91 100 11 ASN CA C 52.694 0.200 1 92 100 11 ASN CB C 38.784 0.200 1 93 100 11 ASN N N 120.577 0.200 1 94 100 11 ASN ND2 N 112.484 0.200 1 95 101 12 LYS H H 7.982 0.020 1 96 101 12 LYS HA H 4.424 0.020 1 97 101 12 LYS HB2 H 1.749 0.020 1 98 101 12 LYS HB3 H 1.620 0.020 1 99 101 12 LYS HG2 H 1.352 0.020 2 100 101 12 LYS HG3 H 1.352 0.020 2 101 101 12 LYS HD2 H 1.683 0.020 1 102 101 12 LYS HD3 H 1.644 0.020 1 103 101 12 LYS HE2 H 2.987 0.020 2 104 101 12 LYS HE3 H 2.987 0.020 2 105 101 12 LYS CA C 54.152 0.200 1 106 101 12 LYS CB C 32.310 0.200 1 107 101 12 LYS CG C 24.498 0.200 1 108 101 12 LYS CD C 29.105 0.200 1 109 101 12 LYS CE C 41.889 0.200 1 110 101 12 LYS N N 122.632 0.200 1 111 102 13 PRO HA H 4.398 0.020 1 112 102 13 PRO HB2 H 2.280 0.020 1 113 102 13 PRO HB3 H 1.884 0.020 1 114 102 13 PRO HG2 H 2.003 0.020 2 115 102 13 PRO HG3 H 2.003 0.020 2 116 102 13 PRO HD2 H 3.609 0.020 1 117 102 13 PRO HD3 H 3.760 0.020 1 118 102 13 PRO CA C 63.041 0.200 1 119 102 13 PRO CB C 32.083 0.200 1 120 102 13 PRO CG C 27.371 0.200 1 121 102 13 PRO CD C 50.678 0.200 1 122 103 14 SER H H 8.419 0.020 1 123 103 14 SER HA H 4.413 0.020 1 124 103 14 SER HB2 H 3.812 0.020 2 125 103 14 SER HB3 H 3.812 0.020 2 126 103 14 SER CA C 58.001 0.200 1 127 103 14 SER CB C 63.868 0.200 1 128 103 14 SER N N 116.849 0.200 1 129 104 15 LYS H H 8.324 0.020 1 130 104 15 LYS HA H 4.605 0.020 1 131 104 15 LYS HB2 H 1.745 0.020 1 132 104 15 LYS HB3 H 1.704 0.020 1 133 104 15 LYS HG2 H 1.443 0.020 2 134 104 15 LYS HG3 H 1.443 0.020 2 135 104 15 LYS HD2 H 1.683 0.020 1 136 104 15 LYS HD3 H 1.652 0.020 1 137 104 15 LYS HE2 H 2.987 0.020 2 138 104 15 LYS HE3 H 2.987 0.020 2 139 104 15 LYS CA C 54.177 0.200 1 140 104 15 LYS CB C 32.600 0.200 1 141 104 15 LYS CG C 24.856 0.200 1 142 104 15 LYS CD C 29.033 0.200 1 143 104 15 LYS CE C 41.866 0.200 1 144 104 15 LYS N N 124.165 0.200 1 145 105 16 PRO HA H 4.406 0.020 1 146 105 16 PRO HB2 H 2.280 0.020 1 147 105 16 PRO HB3 H 1.884 0.020 1 148 105 16 PRO HG2 H 2.003 0.020 2 149 105 16 PRO HG3 H 2.003 0.020 2 150 105 16 PRO HD2 H 3.805 0.020 1 151 105 16 PRO HD3 H 3.612 0.020 1 152 105 16 PRO CA C 62.821 0.200 1 153 105 16 PRO CB C 32.178 0.200 1 154 105 16 PRO CG C 27.349 0.200 1 155 105 16 PRO CD C 50.702 0.200 1 156 106 17 LYS H H 8.515 0.020 1 157 106 17 LYS HA H 4.390 0.020 1 158 106 17 LYS HB2 H 1.842 0.020 1 159 106 17 LYS HB3 H 1.747 0.020 1 160 106 17 LYS HG2 H 1.487 0.020 1 161 106 17 LYS HG3 H 1.444 0.020 1 162 106 17 LYS HD2 H 1.688 0.020 1 163 106 17 LYS HD3 H 1.650 0.020 1 164 106 17 LYS HE2 H 2.989 0.020 2 165 106 17 LYS HE3 H 2.949 0.020 2 166 106 17 LYS CA C 56.175 0.200 1 167 106 17 LYS CB C 32.963 0.200 1 168 106 17 LYS CG C 24.901 0.200 1 169 106 17 LYS CD C 28.962 0.200 1 170 106 17 LYS CE C 41.919 0.200 1 171 106 17 LYS N N 122.055 0.200 1 172 107 18 THR H H 8.141 0.020 1 173 107 18 THR HA H 4.307 0.020 1 174 107 18 THR HB H 4.148 0.020 1 175 107 18 THR HG2 H 1.165 0.020 1 176 107 18 THR CA C 61.547 0.200 1 177 107 18 THR CB C 69.722 0.200 1 178 107 18 THR CG2 C 21.497 0.200 1 179 107 18 THR N N 115.216 0.200 1 180 108 19 ASN H H 8.534 0.020 1 181 108 19 ASN HA H 4.696 0.020 1 182 108 19 ASN HB2 H 2.819 0.020 1 183 108 19 ASN HB3 H 2.750 0.020 1 184 108 19 ASN HD21 H 7.591 0.020 1 185 108 19 ASN HD22 H 6.891 0.020 1 186 108 19 ASN CA C 53.052 0.200 1 187 108 19 ASN CB C 38.704 0.200 1 188 108 19 ASN N N 121.302 0.200 1 189 108 19 ASN ND2 N 112.614 0.200 1 190 109 20 MET H H 8.347 0.020 1 191 109 20 MET HA H 4.426 0.020 1 192 109 20 MET HB2 H 2.005 0.020 1 193 109 20 MET HB3 H 1.944 0.020 1 194 109 20 MET HG2 H 2.550 0.020 1 195 109 20 MET HG3 H 2.477 0.020 1 196 109 20 MET HE H 2.147 0.020 1 197 109 20 MET CA C 55.413 0.200 1 198 109 20 MET CB C 32.779 0.200 1 199 109 20 MET CG C 31.955 0.200 1 200 109 20 MET CE C 17.815 0.200 1 201 109 20 MET N N 121.254 0.200 1 202 110 21 LYS H H 8.301 0.020 1 203 110 21 LYS HA H 4.219 0.020 1 204 110 21 LYS HB2 H 1.746 0.020 1 205 110 21 LYS HB3 H 1.716 0.020 1 206 110 21 LYS HG2 H 1.392 0.020 1 207 110 21 LYS HG3 H 1.333 0.020 1 208 110 21 LYS HD2 H 1.688 0.020 1 209 110 21 LYS HD3 H 1.646 0.020 1 210 110 21 LYS HE2 H 2.953 0.020 1 211 110 21 LYS HE3 H 2.882 0.020 1 212 110 21 LYS CA C 56.435 0.200 1 213 110 21 LYS CB C 32.846 0.200 1 214 110 21 LYS CG C 24.789 0.200 1 215 110 21 LYS CD C 28.924 0.200 1 216 110 21 LYS CE C 42.048 0.200 1 217 110 21 LYS N N 122.203 0.200 1 218 111 22 HIS H H 8.438 0.020 1 219 111 22 HIS HA H 4.621 0.020 1 220 111 22 HIS HB2 H 3.173 0.020 1 221 111 22 HIS HB3 H 3.121 0.020 1 222 111 22 HIS HD2 H 7.209 0.020 1 223 111 22 HIS CA C 55.455 0.200 1 224 111 22 HIS CB C 29.556 0.200 1 225 111 22 HIS CD2 C 119.504 0.200 1 226 111 22 HIS N N 119.944 0.200 1 227 112 23 MET H H 8.353 0.020 1 228 112 23 MET HA H 4.443 0.020 1 229 112 23 MET HB2 H 2.041 0.020 1 230 112 23 MET HB3 H 1.944 0.020 1 231 112 23 MET HG2 H 2.550 0.020 1 232 112 23 MET HG3 H 2.477 0.020 1 233 112 23 MET HE H 2.066 0.020 1 234 112 23 MET CA C 55.187 0.200 1 235 112 23 MET CB C 32.879 0.200 1 236 112 23 MET CG C 31.927 0.200 1 237 112 23 MET CE C 16.931 0.200 1 238 112 23 MET N N 122.475 0.200 1 239 113 24 ALA H H 8.390 0.020 1 240 113 24 ALA HA H 4.285 0.020 1 241 113 24 ALA HB H 1.378 0.020 1 242 113 24 ALA CA C 52.532 0.200 1 243 113 24 ALA CB C 19.221 0.200 1 244 113 24 ALA N N 125.668 0.200 1 245 114 25 GLY H H 8.382 0.020 1 246 114 25 GLY HA2 H 3.926 0.020 1 247 114 25 GLY HA3 H 3.914 0.020 1 248 114 25 GLY CA C 45.143 0.200 1 249 114 25 GLY N N 108.480 0.200 1 250 115 26 ALA H H 8.138 0.020 1 251 115 26 ALA HA H 4.268 0.020 1 252 115 26 ALA HB H 1.366 0.020 1 253 115 26 ALA CA C 52.461 0.200 1 254 115 26 ALA CB C 19.229 0.200 1 255 115 26 ALA N N 123.859 0.200 1 256 116 27 ALA H H 8.271 0.020 1 257 116 27 ALA HA H 4.265 0.020 1 258 116 27 ALA HB H 1.364 0.020 1 259 116 27 ALA CA C 52.392 0.200 1 260 116 27 ALA CB C 19.134 0.200 1 261 116 27 ALA N N 123.153 0.200 1 262 117 28 ALA H H 8.171 0.020 1 263 117 28 ALA HA H 4.264 0.020 1 264 117 28 ALA HB H 1.364 0.020 1 265 117 28 ALA CA C 52.328 0.200 1 266 117 28 ALA CB C 19.103 0.200 1 267 117 28 ALA N N 123.227 0.200 1 268 118 29 ALA H H 8.207 0.020 1 269 118 29 ALA HA H 4.272 0.020 1 270 118 29 ALA HB H 1.364 0.020 1 271 118 29 ALA CA C 52.539 0.200 1 272 118 29 ALA CB C 19.134 0.200 1 273 118 29 ALA N N 123.206 0.200 1 274 119 30 GLY H H 8.274 0.020 1 275 119 30 GLY HA2 H 3.921 0.020 2 276 119 30 GLY HA3 H 3.921 0.020 2 277 119 30 GLY CA C 45.087 0.200 1 278 119 30 GLY N N 107.892 0.200 1 279 120 31 ALA H H 8.044 0.020 1 280 120 31 ALA HA H 4.331 0.020 1 281 120 31 ALA HB H 1.337 0.020 1 282 120 31 ALA CA C 52.291 0.200 1 283 120 31 ALA CB C 19.487 0.200 1 284 120 31 ALA N N 123.528 0.200 1 285 121 32 VAL H H 8.110 0.020 1 286 121 32 VAL HA H 4.107 0.020 1 287 121 32 VAL HB H 2.007 0.020 1 288 121 32 VAL HG1 H 0.886 0.020 1 289 121 32 VAL HG2 H 0.846 0.020 1 290 121 32 VAL CA C 62.141 0.200 1 291 121 32 VAL CB C 32.702 0.200 1 292 121 32 VAL CG1 C 20.554 0.200 1 293 121 32 VAL CG2 C 21.192 0.200 1 294 121 32 VAL N N 119.567 0.200 1 295 122 33 VAL H H 8.262 0.020 1 296 122 33 VAL HA H 4.067 0.020 1 297 122 33 VAL HB H 2.005 0.020 1 298 122 33 VAL HG1 H 0.888 0.020 1 299 122 33 VAL HG2 H 0.846 0.020 1 300 122 33 VAL CA C 62.428 0.200 1 301 122 33 VAL CB C 32.665 0.200 1 302 122 33 VAL CG1 C 20.669 0.200 1 303 122 33 VAL CG2 C 21.159 0.200 1 304 122 33 VAL N N 124.622 0.200 1 305 123 34 GLY H H 8.535 0.020 1 306 123 34 GLY HA2 H 3.920 0.020 2 307 123 34 GLY HA3 H 3.920 0.020 2 308 123 34 GLY CA C 45.232 0.200 1 309 123 34 GLY N N 113.188 0.200 1 310 124 35 GLY H H 8.252 0.020 1 311 124 35 GLY HA2 H 3.920 0.020 2 312 124 35 GLY HA3 H 3.920 0.020 2 313 124 35 GLY CA C 45.277 0.200 1 314 124 35 GLY N N 108.431 0.200 1 315 125 36 LEU H H 8.225 0.020 1 316 125 36 LEU HA H 4.332 0.020 1 317 125 36 LEU HB2 H 1.581 0.020 1 318 125 36 LEU HB3 H 1.503 0.020 1 319 125 36 LEU HG H 1.446 0.020 1 320 125 36 LEU HD1 H 0.611 0.020 1 321 125 36 LEU HD2 H 0.495 0.020 1 322 125 36 LEU CA C 54.823 0.200 1 323 125 36 LEU CB C 42.450 0.200 1 324 125 36 LEU CG C 26.882 0.200 1 325 125 36 LEU CD1 C 24.628 0.200 1 326 125 36 LEU CD2 C 23.449 0.200 1 327 125 36 LEU N N 121.697 0.200 1 328 126 37 GLY H H 8.510 0.020 1 329 126 37 GLY HA2 H 3.911 0.020 1 330 126 37 GLY HA3 H 3.822 0.020 1 331 126 37 GLY CA C 46.227 0.200 1 332 126 37 GLY N N 109.811 0.200 1 333 127 38 GLY H H 8.370 0.020 1 334 127 38 GLY HA2 H 3.748 0.020 1 335 127 38 GLY HA3 H 3.884 0.020 1 336 127 38 GLY CA C 45.127 0.200 1 337 127 38 GLY N N 109.398 0.200 1 338 128 39 TYR H H 7.750 0.020 1 339 128 39 TYR HA H 4.476 0.020 1 340 128 39 TYR HB2 H 2.763 0.020 1 341 128 39 TYR HB3 H 2.858 0.020 1 342 128 39 TYR HD1 H 6.785 0.020 3 343 128 39 TYR HD2 H 6.785 0.020 3 344 128 39 TYR HE1 H 6.587 0.020 3 345 128 39 TYR HE2 H 6.587 0.020 3 346 128 39 TYR CA C 58.038 0.200 1 347 128 39 TYR CB C 40.376 0.200 1 348 128 39 TYR CD1 C 132.738 0.200 3 349 128 39 TYR CD2 C 132.738 0.200 3 350 128 39 TYR CE1 C 117.791 0.200 3 351 128 39 TYR CE2 C 117.791 0.200 3 352 128 39 TYR N N 117.683 0.200 1 353 129 40 MET H H 9.014 0.020 1 354 129 40 MET HA H 4.516 0.020 1 355 129 40 MET HB2 H 0.939 0.020 1 356 129 40 MET HB3 H 1.566 0.020 1 357 129 40 MET HG2 H 2.280 0.020 1 358 129 40 MET HG3 H 2.195 0.020 1 359 129 40 MET HE H 1.999 0.020 1 360 129 40 MET CA C 53.543 0.200 1 361 129 40 MET CB C 34.782 0.200 1 362 129 40 MET CG C 32.198 0.200 1 363 129 40 MET CE C 17.151 0.200 1 364 129 40 MET N N 120.933 0.200 1 365 130 41 LEU H H 8.040 0.020 1 366 130 41 LEU HA H 4.473 0.020 1 367 130 41 LEU HB2 H 1.582 0.020 1 368 130 41 LEU HB3 H 0.970 0.020 1 369 130 41 LEU HG H 1.362 0.020 1 370 130 41 LEU HD1 H -0.015 0.020 1 371 130 41 LEU HD2 H 0.583 0.020 1 372 130 41 LEU CA C 53.379 0.200 1 373 130 41 LEU CB C 43.545 0.200 1 374 130 41 LEU CG C 26.040 0.200 1 375 130 41 LEU CD1 C 21.743 0.200 1 376 130 41 LEU CD2 C 25.672 0.200 1 377 130 41 LEU N N 121.473 0.200 1 378 131 42 GLY H H 9.379 0.020 1 379 131 42 GLY HA2 H 3.934 0.020 1 380 131 42 GLY HA3 H 4.395 0.020 1 381 131 42 GLY CA C 44.744 0.200 1 382 131 42 GLY N N 114.890 0.200 1 383 132 43 SER H H 8.357 0.020 1 384 132 43 SER HA H 4.414 0.020 1 385 132 43 SER HB2 H 3.946 0.020 1 386 132 43 SER HB3 H 3.877 0.020 1 387 132 43 SER CA C 58.277 0.200 1 388 132 43 SER CB C 63.916 0.200 1 389 132 43 SER N N 113.716 0.200 1 390 133 44 ALA H H 8.734 0.020 1 391 133 44 ALA HA H 4.419 0.020 1 392 133 44 ALA HB H 1.263 0.020 1 393 133 44 ALA CA C 52.915 0.200 1 394 133 44 ALA CB C 18.423 0.200 1 395 133 44 ALA N N 125.491 0.200 1 396 134 45 MET H H 8.697 0.020 1 397 134 45 MET HA H 4.736 0.020 1 398 134 45 MET HB2 H 2.024 0.020 1 399 134 45 MET HB3 H 1.956 0.020 1 400 134 45 MET HG2 H 2.476 0.020 1 401 134 45 MET HG3 H 2.419 0.020 1 402 134 45 MET HE H 2.139 0.020 1 403 134 45 MET CA C 54.254 0.200 1 404 134 45 MET CB C 36.610 0.200 1 405 134 45 MET CG C 31.271 0.200 1 406 134 45 MET CE C 17.645 0.200 1 407 134 45 MET N N 120.884 0.200 1 408 135 46 SER H H 8.416 0.020 1 409 135 46 SER HA H 4.343 0.020 1 410 135 46 SER HB2 H 3.805 0.020 1 411 135 46 SER HB3 H 3.726 0.020 1 412 135 46 SER CA C 58.277 0.200 1 413 135 46 SER CB C 63.049 0.200 1 414 135 46 SER N N 116.308 0.200 1 415 136 47 ARG H H 8.644 0.020 1 416 136 47 ARG HA H 4.395 0.020 1 417 136 47 ARG HB2 H 1.688 0.020 1 418 136 47 ARG HB3 H 1.646 0.020 1 419 136 47 ARG HG2 H 1.923 0.020 2 420 136 47 ARG HG3 H 1.928 0.020 2 421 136 47 ARG HD2 H 3.183 0.020 1 422 136 47 ARG HD3 H 3.101 0.020 1 423 136 47 ARG CA C 54.722 0.200 1 424 136 47 ARG CB C 29.021 0.200 1 425 136 47 ARG CG C 28.537 0.200 1 426 136 47 ARG CD C 43.515 0.200 1 427 136 47 ARG N N 126.571 0.200 1 428 137 48 PRO HA H 4.408 0.020 1 429 137 48 PRO HB2 H 1.743 0.020 1 430 137 48 PRO HB3 H 2.219 0.020 1 431 137 48 PRO HG2 H 2.004 0.020 2 432 137 48 PRO HG3 H 2.004 0.020 2 433 137 48 PRO HD2 H 3.914 0.020 2 434 137 48 PRO HD3 H 3.914 0.020 2 435 137 48 PRO CA C 62.368 0.200 1 436 137 48 PRO CB C 32.221 0.200 1 437 137 48 PRO CG C 27.316 0.200 1 438 137 48 PRO CD C 50.674 0.200 1 439 138 49 ILE H H 8.624 0.020 1 440 138 49 ILE HA H 4.129 0.020 1 441 138 49 ILE HB H 1.892 0.020 1 442 138 49 ILE HG12 H 1.580 0.020 1 443 138 49 ILE HG13 H 1.367 0.020 1 444 138 49 ILE HG2 H 0.720 0.020 1 445 138 49 ILE HD1 H 0.881 0.020 1 446 138 49 ILE CA C 60.908 0.200 1 447 138 49 ILE CB C 36.095 0.200 1 448 138 49 ILE CG1 C 27.259 0.200 1 449 138 49 ILE CG2 C 17.422 0.200 1 450 138 49 ILE CD1 C 11.311 0.200 1 451 138 49 ILE N N 122.528 0.200 1 452 139 50 ILE H H 6.481 0.020 1 453 139 50 ILE HA H 3.907 0.020 1 454 139 50 ILE HB H 0.866 0.020 1 455 139 50 ILE HG12 H 0.755 0.020 1 456 139 50 ILE HG13 H 0.878 0.020 1 457 139 50 ILE HG2 H -0.047 0.020 1 458 139 50 ILE HD1 H 0.453 0.020 1 459 139 50 ILE CA C 58.699 0.200 1 460 139 50 ILE CB C 39.324 0.200 1 461 139 50 ILE CG1 C 26.608 0.200 1 462 139 50 ILE CG2 C 17.206 0.200 1 463 139 50 ILE CD1 C 12.549 0.200 1 464 139 50 ILE N N 126.657 0.200 1 465 140 51 HIS H H 8.222 0.020 1 466 140 51 HIS HA H 4.902 0.020 1 467 140 51 HIS HB2 H 2.931 0.020 1 468 140 51 HIS HB3 H 3.280 0.020 1 469 140 51 HIS HD2 H 7.200 0.020 1 470 140 51 HIS HE1 H 8.550 0.020 1 471 140 51 HIS CA C 54.069 0.200 1 472 140 51 HIS CB C 29.495 0.200 1 473 140 51 HIS CD2 C 119.901 0.200 1 474 140 51 HIS CE1 C 136.296 0.200 1 475 140 51 HIS N N 121.965 0.200 1 476 141 52 PHE H H 10.169 0.020 1 477 141 52 PHE HA H 4.341 0.020 1 478 141 52 PHE HB2 H 3.317 0.020 1 479 141 52 PHE HB3 H 2.796 0.020 1 480 141 52 PHE HD1 H 7.322 0.020 3 481 141 52 PHE HD2 H 7.323 0.020 3 482 141 52 PHE HE1 H 6.889 0.020 3 483 141 52 PHE HE2 H 6.889 0.020 3 484 141 52 PHE HZ H 6.694 0.020 1 485 141 52 PHE CA C 59.245 0.200 1 486 141 52 PHE CB C 41.436 0.200 1 487 141 52 PHE CD1 C 131.939 0.200 3 488 141 52 PHE CD2 C 131.932 0.200 3 489 141 52 PHE CE1 C 131.302 0.200 3 490 141 52 PHE CE2 C 131.295 0.200 3 491 141 52 PHE CZ C 129.412 0.200 1 492 141 52 PHE N N 124.250 0.200 1 493 142 53 GLY H H 8.997 0.020 1 494 142 53 GLY HA2 H 4.120 0.020 1 495 142 53 GLY HA3 H 3.796 0.020 1 496 142 53 GLY CA C 45.267 0.200 1 497 142 53 GLY N N 108.385 0.200 1 498 143 54 SER H H 7.336 0.020 1 499 143 54 SER HA H 4.797 0.020 1 500 143 54 SER HB2 H 4.104 0.020 1 501 143 54 SER HB3 H 3.920 0.020 1 502 143 54 SER CA C 56.638 0.200 1 503 143 54 SER CB C 65.984 0.200 1 504 143 54 SER N N 111.808 0.200 1 505 144 55 ASP H H 9.014 0.020 1 506 144 55 ASP HA H 4.481 0.020 1 507 144 55 ASP HB2 H 2.730 0.020 2 508 144 55 ASP HB3 H 2.730 0.020 2 509 144 55 ASP CA C 57.658 0.200 1 510 144 55 ASP CB C 40.691 0.200 1 511 144 55 ASP N N 124.257 0.200 1 512 145 56 TYR H H 8.552 0.020 1 513 145 56 TYR HA H 4.180 0.020 1 514 145 56 TYR HB2 H 3.236 0.020 1 515 145 56 TYR HB3 H 2.838 0.020 1 516 145 56 TYR HD1 H 7.052 0.020 3 517 145 56 TYR HD2 H 7.052 0.020 3 518 145 56 TYR HE1 H 6.757 0.020 3 519 145 56 TYR HE2 H 6.757 0.020 3 520 145 56 TYR CA C 61.370 0.200 1 521 145 56 TYR CB C 38.074 0.200 1 522 145 56 TYR CD1 C 133.327 0.200 3 523 145 56 TYR CD2 C 133.327 0.200 3 524 145 56 TYR CE1 C 118.021 0.200 3 525 145 56 TYR CE2 C 118.021 0.200 3 526 145 56 TYR N N 118.987 0.200 1 527 146 57 GLU H H 7.744 0.020 1 528 146 57 GLU HA H 3.540 0.020 1 529 146 57 GLU HB2 H 1.538 0.020 1 530 146 57 GLU HB3 H 1.933 0.020 1 531 146 57 GLU HG2 H 1.880 0.020 1 532 146 57 GLU HG3 H 2.220 0.020 1 533 146 57 GLU CA C 59.981 0.200 1 534 146 57 GLU CB C 30.214 0.200 1 535 146 57 GLU CG C 38.129 0.200 1 536 146 57 GLU N N 119.202 0.200 1 537 147 58 ASP H H 8.149 0.020 1 538 147 58 ASP HA H 4.627 0.020 1 539 147 58 ASP HB2 H 2.855 0.020 1 540 147 58 ASP HB3 H 3.001 0.020 1 541 147 58 ASP CA C 58.300 0.200 1 542 147 58 ASP CB C 40.547 0.200 1 543 147 58 ASP N N 119.599 0.200 1 544 148 59 ARG H H 8.186 0.020 1 545 148 59 ARG HA H 3.982 0.020 1 546 148 59 ARG HB2 H 1.886 0.020 2 547 148 59 ARG HB3 H 1.886 0.020 2 548 148 59 ARG HG2 H 1.724 0.020 1 549 148 59 ARG HG3 H 1.514 0.020 1 550 148 59 ARG HD2 H 3.270 0.020 1 551 148 59 ARG HD3 H 3.178 0.020 1 552 148 59 ARG CA C 59.464 0.200 1 553 148 59 ARG CB C 29.810 0.200 1 554 148 59 ARG CG C 27.778 0.200 1 555 148 59 ARG CD C 43.388 0.200 1 556 148 59 ARG N N 120.281 0.200 1 557 149 60 TYR H H 8.329 0.020 1 558 149 60 TYR HA H 3.800 0.020 1 559 149 60 TYR HB2 H 2.588 0.020 1 560 149 60 TYR HB3 H 2.833 0.020 1 561 149 60 TYR HD1 H 6.937 0.020 3 562 149 60 TYR HD2 H 6.937 0.020 3 563 149 60 TYR HE1 H 6.660 0.020 3 564 149 60 TYR HE2 H 6.660 0.020 3 565 149 60 TYR CA C 62.146 0.200 1 566 149 60 TYR CB C 38.237 0.200 1 567 149 60 TYR CD1 C 133.440 0.200 3 568 149 60 TYR CD2 C 133.440 0.200 3 569 149 60 TYR CE1 C 118.244 0.200 3 570 149 60 TYR CE2 C 118.244 0.200 3 571 149 60 TYR N N 121.130 0.200 1 572 150 61 TYR H H 8.951 0.020 1 573 150 61 TYR HA H 4.106 0.020 1 574 150 61 TYR HB2 H 3.541 0.020 1 575 150 61 TYR HB3 H 3.241 0.020 1 576 150 61 TYR HD1 H 7.534 0.020 3 577 150 61 TYR HD2 H 7.534 0.020 3 578 150 61 TYR HE1 H 7.007 0.020 3 579 150 61 TYR HE2 H 7.007 0.020 3 580 150 61 TYR CA C 62.915 0.200 1 581 150 61 TYR CB C 38.246 0.200 1 582 150 61 TYR CD1 C 133.536 0.200 3 583 150 61 TYR CD2 C 133.536 0.200 3 584 150 61 TYR CE1 C 118.232 0.200 3 585 150 61 TYR CE2 C 118.232 0.200 3 586 150 61 TYR N N 120.420 0.200 1 587 151 62 ARG H H 7.942 0.020 1 588 151 62 ARG HA H 3.923 0.020 1 589 151 62 ARG HB2 H 2.075 0.020 1 590 151 62 ARG HB3 H 1.955 0.020 1 591 151 62 ARG HG2 H 1.733 0.020 1 592 151 62 ARG HG3 H 2.024 0.020 1 593 151 62 ARG HD2 H 3.359 0.020 1 594 151 62 ARG HD3 H 3.269 0.020 1 595 151 62 ARG CA C 59.871 0.200 1 596 151 62 ARG CB C 30.009 0.200 1 597 151 62 ARG CG C 28.224 0.200 1 598 151 62 ARG CD C 43.326 0.200 1 599 151 62 ARG N N 117.959 0.200 1 600 152 63 GLU H H 8.068 0.020 1 601 152 63 GLU HA H 4.043 0.020 1 602 152 63 GLU HB2 H 1.883 0.020 1 603 152 63 GLU HB3 H 1.855 0.020 1 604 152 63 GLU HG2 H 2.185 0.020 1 605 152 63 GLU HG3 H 2.410 0.020 1 606 152 63 GLU CA C 58.001 0.200 1 607 152 63 GLU CB C 29.934 0.200 1 608 152 63 GLU CG C 36.567 0.200 1 609 152 63 GLU N N 116.439 0.200 1 610 153 64 ASN H H 7.540 0.020 1 611 153 64 ASN HA H 4.395 0.020 1 612 153 64 ASN HB2 H 2.138 0.020 1 613 153 64 ASN HB3 H 2.156 0.020 1 614 153 64 ASN HD21 H 6.806 0.020 1 615 153 64 ASN HD22 H 6.547 0.020 1 616 153 64 ASN CA C 54.801 0.200 1 617 153 64 ASN CB C 41.215 0.200 1 618 153 64 ASN N N 114.701 0.200 1 619 153 64 ASN ND2 N 117.170 0.200 1 620 154 65 MET H H 8.014 0.020 1 621 154 65 MET HA H 3.408 0.020 1 622 154 65 MET HB2 H 1.618 0.020 1 623 154 65 MET HB3 H 1.325 0.020 1 624 154 65 MET HG2 H 2.536 0.020 1 625 154 65 MET HG3 H 2.143 0.020 1 626 154 65 MET HE H 2.014 0.020 1 627 154 65 MET CA C 59.193 0.200 1 628 154 65 MET CB C 30.250 0.200 1 629 154 65 MET CG C 30.499 0.200 1 630 154 65 MET CE C 17.620 0.200 1 631 154 65 MET N N 119.138 0.200 1 632 155 66 HIS H H 8.001 0.020 1 633 155 66 HIS HA H 4.210 0.020 1 634 155 66 HIS HB2 H 3.226 0.020 1 635 155 66 HIS HB3 H 2.912 0.020 1 636 155 66 HIS HD2 H 7.374 0.020 1 637 155 66 HIS CA C 57.735 0.200 1 638 155 66 HIS CB C 28.808 0.200 1 639 155 66 HIS CD2 C 120.205 0.200 1 640 155 66 HIS N N 115.913 0.200 1 641 156 67 ARG H H 7.512 0.020 1 642 156 67 ARG HA H 4.112 0.020 1 643 156 67 ARG HB2 H 1.350 0.020 1 644 156 67 ARG HB3 H 2.127 0.020 1 645 156 67 ARG HG2 H 1.373 0.020 1 646 156 67 ARG HG3 H 0.225 0.020 1 647 156 67 ARG HD2 H 3.236 0.020 1 648 156 67 ARG HD3 H 3.076 0.020 1 649 156 67 ARG CA C 56.193 0.200 1 650 156 67 ARG CB C 30.460 0.200 1 651 156 67 ARG CG C 27.159 0.200 1 652 156 67 ARG CD C 43.751 0.200 1 653 156 67 ARG N N 118.864 0.200 1 654 157 68 TYR H H 7.443 0.020 1 655 157 68 TYR HA H 4.981 0.020 1 656 157 68 TYR HB2 H 3.105 0.020 1 657 157 68 TYR HB3 H 3.077 0.020 1 658 157 68 TYR HD1 H 6.863 0.020 3 659 157 68 TYR HD2 H 6.863 0.020 3 660 157 68 TYR HE1 H 6.557 0.020 3 661 157 68 TYR HE2 H 6.557 0.020 3 662 157 68 TYR CA C 52.585 0.200 1 663 157 68 TYR CB C 34.895 0.200 1 664 157 68 TYR CD1 C 131.205 0.200 3 665 157 68 TYR CD2 C 131.204 0.200 3 666 157 68 TYR CE1 C 117.209 0.200 3 667 157 68 TYR CE2 C 117.209 0.200 3 668 157 68 TYR N N 121.291 0.200 1 669 158 69 PRO HA H 4.307 0.020 1 670 158 69 PRO HB2 H 1.604 0.020 1 671 158 69 PRO HB3 H 2.429 0.020 1 672 158 69 PRO HG2 H 1.261 0.020 1 673 158 69 PRO HG3 H 1.501 0.020 1 674 158 69 PRO HD2 H 3.104 0.020 1 675 158 69 PRO HD3 H 3.000 0.020 1 676 158 69 PRO CA C 63.660 0.200 1 677 158 69 PRO CB C 32.021 0.200 1 678 158 69 PRO CG C 27.220 0.200 1 679 158 69 PRO CD C 49.829 0.200 1 680 159 70 ASN H H 8.655 0.020 1 681 159 70 ASN HA H 4.670 0.020 1 682 159 70 ASN HB2 H 3.571 0.020 1 683 159 70 ASN HB3 H 2.443 0.020 1 684 159 70 ASN HD21 H 7.468 0.020 1 685 159 70 ASN HD22 H 6.774 0.020 1 686 159 70 ASN CA C 52.020 0.200 1 687 159 70 ASN CB C 38.505 0.200 1 688 159 70 ASN N N 116.622 0.200 1 689 159 70 ASN ND2 N 109.320 0.200 1 690 160 71 GLN H H 7.314 0.020 1 691 160 71 GLN HA H 4.511 0.020 1 692 160 71 GLN HB2 H 1.944 0.020 1 693 160 71 GLN HB3 H 1.729 0.020 1 694 160 71 GLN HG2 H 1.580 0.020 1 695 160 71 GLN HG3 H 2.015 0.020 1 696 160 71 GLN HE21 H 6.953 0.020 1 697 160 71 GLN HE22 H 7.886 0.020 1 698 160 71 GLN CA C 54.171 0.200 1 699 160 71 GLN CB C 32.975 0.200 1 700 160 71 GLN CG C 33.849 0.200 1 701 160 71 GLN N N 114.275 0.200 1 702 160 71 GLN NE2 N 112.443 0.200 1 703 161 72 VAL H H 8.493 0.020 1 704 161 72 VAL HA H 4.916 0.020 1 705 161 72 VAL HB H 2.606 0.020 1 706 161 72 VAL HG1 H 0.923 0.020 1 707 161 72 VAL HG2 H 0.748 0.020 1 708 161 72 VAL CA C 58.611 0.200 1 709 161 72 VAL CB C 33.801 0.200 1 710 161 72 VAL CG1 C 23.564 0.200 1 711 161 72 VAL CG2 C 18.497 0.200 1 712 161 72 VAL N N 112.700 0.200 1 713 162 73 TYR H H 8.485 0.020 1 714 162 73 TYR HA H 5.498 0.020 1 715 162 73 TYR HB2 H 2.574 0.020 1 716 162 73 TYR HB3 H 2.552 0.020 1 717 162 73 TYR HD1 H 6.893 0.020 3 718 162 73 TYR HD2 H 6.893 0.020 3 719 162 73 TYR HE1 H 6.756 0.020 3 720 162 73 TYR HE2 H 6.756 0.020 3 721 162 73 TYR CA C 57.069 0.200 1 722 162 73 TYR CB C 42.204 0.200 1 723 162 73 TYR CD1 C 133.006 0.200 3 724 162 73 TYR CD2 C 133.006 0.200 3 725 162 73 TYR CE1 C 118.259 0.200 3 726 162 73 TYR CE2 C 118.248 0.200 3 727 162 73 TYR N N 121.455 0.200 1 728 163 74 TYR H H 8.603 0.020 1 729 163 74 TYR HA H 4.746 0.020 1 730 163 74 TYR HB2 H 2.736 0.020 1 731 163 74 TYR HB3 H 2.893 0.020 1 732 163 74 TYR HD1 H 6.971 0.020 3 733 163 74 TYR HD2 H 6.971 0.020 3 734 163 74 TYR HE1 H 6.455 0.020 3 735 163 74 TYR HE2 H 6.455 0.020 3 736 163 74 TYR CA C 55.413 0.200 1 737 163 74 TYR CB C 40.476 0.200 1 738 163 74 TYR CD1 C 133.949 0.200 3 739 163 74 TYR CD2 C 133.949 0.200 3 740 163 74 TYR CE1 C 117.709 0.200 3 741 163 74 TYR CE2 C 117.709 0.200 3 742 163 74 TYR N N 111.150 0.200 1 743 165 76 PRO HA H 4.478 0.020 1 744 165 76 PRO HB2 H 2.450 0.020 1 745 165 76 PRO HB3 H 2.441 0.020 1 746 165 76 PRO HG2 H 2.050 0.020 1 747 165 76 PRO HG3 H 1.886 0.020 1 748 165 76 PRO HD2 H 3.577 0.020 1 749 165 76 PRO HD3 H 3.477 0.020 1 750 165 76 PRO CA C 63.054 0.200 1 751 165 76 PRO CB C 32.444 0.200 1 752 165 76 PRO CG C 28.097 0.200 1 753 165 76 PRO CD C 50.132 0.200 1 754 166 77 MET H H 9.026 0.020 1 755 166 77 MET HA H 4.422 0.020 1 756 166 77 MET HB2 H 2.280 0.020 1 757 166 77 MET HB3 H 2.265 0.020 1 758 166 77 MET HG2 H 1.754 0.020 1 759 166 77 MET HG3 H 1.847 0.020 1 760 166 77 MET HE H 1.545 0.020 1 761 166 77 MET CA C 57.103 0.200 1 762 166 77 MET CB C 32.311 0.200 1 763 166 77 MET CG C 32.971 0.200 1 764 166 77 MET CE C 17.076 0.200 1 765 166 77 MET N N 121.328 0.200 1 766 167 78 ASP H H 8.189 0.020 1 767 167 78 ASP HA H 4.502 0.020 1 768 167 78 ASP HB2 H 2.719 0.020 1 769 167 78 ASP HB3 H 2.921 0.020 1 770 167 78 ASP CA C 54.308 0.200 1 771 167 78 ASP CB C 40.601 0.200 1 772 167 78 ASP N N 119.961 0.200 1 773 170 81 SER H H 8.575 0.020 1 774 170 81 SER HA H 4.575 0.020 1 775 170 81 SER HB2 H 3.911 0.020 2 776 170 81 SER HB3 H 3.911 0.020 2 777 170 81 SER CA C 58.739 0.200 1 778 170 81 SER CB C 64.442 0.200 1 779 170 81 SER N N 116.664 0.200 1 780 171 82 ASN HA H 4.758 0.020 1 781 171 82 ASN HB2 H 3.034 0.020 1 782 171 82 ASN HB3 H 3.044 0.020 1 783 171 82 ASN HD21 H 7.567 0.020 1 784 171 82 ASN HD22 H 6.741 0.020 1 785 171 82 ASN CA C 52.500 0.200 1 786 171 82 ASN CB C 39.730 0.200 1 787 171 82 ASN ND2 N 113.314 0.200 1 788 172 83 GLN H H 8.664 0.020 1 789 172 83 GLN HA H 2.817 0.020 1 790 172 83 GLN HB2 H 1.646 0.020 1 791 172 83 GLN HB3 H 1.634 0.020 1 792 172 83 GLN HG2 H 1.893 0.020 1 793 172 83 GLN HG3 H 1.153 0.020 1 794 172 83 GLN HE21 H 7.463 0.020 1 795 172 83 GLN HE22 H 6.833 0.020 1 796 172 83 GLN CA C 59.625 0.200 1 797 172 83 GLN CB C 28.980 0.200 1 798 172 83 GLN CG C 33.661 0.200 1 799 172 83 GLN N N 120.566 0.200 1 800 172 83 GLN NE2 N 111.775 0.200 1 801 173 84 ASN H H 8.358 0.020 1 802 173 84 ASN HA H 4.224 0.020 1 803 173 84 ASN HB2 H 2.724 0.020 1 804 173 84 ASN HB3 H 2.656 0.020 1 805 173 84 ASN HD21 H 7.577 0.020 1 806 173 84 ASN HD22 H 6.942 0.020 1 807 173 84 ASN CA C 56.513 0.200 1 808 173 84 ASN CB C 37.959 0.200 1 809 173 84 ASN N N 116.658 0.200 1 810 173 84 ASN ND2 N 112.734 0.200 1 811 174 85 ASN H H 8.602 0.020 1 812 174 85 ASN HA H 4.525 0.020 1 813 174 85 ASN HB2 H 2.970 0.020 1 814 174 85 ASN HB3 H 2.891 0.020 1 815 174 85 ASN HD21 H 7.698 0.020 1 816 174 85 ASN HD22 H 7.089 0.020 1 817 174 85 ASN CA C 55.891 0.200 1 818 174 85 ASN CB C 37.835 0.200 1 819 174 85 ASN N N 118.391 0.200 1 820 174 85 ASN ND2 N 112.273 0.200 1 821 175 86 PHE HA H 4.073 0.020 1 822 175 86 PHE HB2 H 3.052 0.020 1 823 175 86 PHE HB3 H 2.867 0.020 1 824 175 86 PHE HD1 H 7.657 0.020 3 825 175 86 PHE HD2 H 7.657 0.020 3 826 175 86 PHE HE1 H 6.731 0.020 3 827 175 86 PHE HE2 H 6.731 0.020 3 828 175 86 PHE HZ H 7.317 0.020 1 829 175 86 PHE CA C 61.089 0.200 1 830 175 86 PHE CB C 39.414 0.200 1 831 175 86 PHE CD1 C 131.719 0.200 3 832 175 86 PHE CD2 C 131.719 0.200 3 833 175 86 PHE CE1 C 129.169 0.200 3 834 175 86 PHE CE2 C 129.169 0.200 3 835 175 86 PHE CZ C 133.188 0.200 1 836 176 87 VAL H H 8.981 0.020 1 837 176 87 VAL HA H 3.541 0.020 1 838 176 87 VAL HB H 2.215 0.020 1 839 176 87 VAL HG1 H 1.028 0.020 1 840 176 87 VAL HG2 H 1.064 0.020 1 841 176 87 VAL CA C 67.749 0.200 1 842 176 87 VAL CB C 32.101 0.200 1 843 176 87 VAL CG1 C 21.953 0.200 1 844 176 87 VAL CG2 C 24.758 0.200 1 845 176 87 VAL N N 120.143 0.200 1 846 177 88 HIS H H 8.334 0.020 1 847 177 88 HIS HA H 4.324 0.020 1 848 177 88 HIS HB2 H 3.377 0.020 1 849 177 88 HIS HB3 H 3.314 0.020 1 850 177 88 HIS HD2 H 7.371 0.020 1 851 177 88 HIS HE1 H 8.590 0.020 1 852 177 88 HIS CA C 59.602 0.200 1 853 177 88 HIS CB C 28.319 0.200 1 854 177 88 HIS CD2 C 119.925 0.200 1 855 177 88 HIS CE1 C 136.352 0.200 1 856 177 88 HIS N N 117.010 0.200 1 857 178 89 ASP H H 7.745 0.020 1 858 178 89 ASP HA H 4.493 0.020 1 859 178 89 ASP HB2 H 2.945 0.020 1 860 178 89 ASP HB3 H 2.901 0.020 1 861 178 89 ASP CA C 57.435 0.200 1 862 178 89 ASP CB C 41.184 0.200 1 863 178 89 ASP N N 118.648 0.200 1 864 179 90 CYS H H 8.028 0.020 1 865 179 90 CYS HA H 4.737 0.020 1 866 179 90 CYS HB2 H 3.372 0.020 1 867 179 90 CYS HB3 H 3.028 0.020 1 868 179 90 CYS CA C 58.476 0.200 1 869 179 90 CYS CB C 40.645 0.200 1 870 179 90 CYS N N 119.083 0.200 1 871 180 91 VAL H H 9.177 0.020 1 872 180 91 VAL HA H 3.632 0.020 1 873 180 91 VAL HB H 2.147 0.020 1 874 180 91 VAL HG1 H 1.068 0.020 1 875 180 91 VAL HG2 H 0.946 0.020 1 876 180 91 VAL CA C 66.431 0.200 1 877 180 91 VAL CB C 32.101 0.200 1 878 180 91 VAL CG1 C 23.465 0.200 1 879 180 91 VAL CG2 C 21.771 0.200 1 880 180 91 VAL N N 125.021 0.200 1 881 181 92 ASN H H 7.653 0.020 1 882 181 92 ASN HA H 4.319 0.020 1 883 181 92 ASN HB2 H 2.752 0.020 1 884 181 92 ASN HB3 H 2.819 0.020 1 885 181 92 ASN HD21 H 6.772 0.020 1 886 181 92 ASN HD22 H 7.635 0.020 1 887 181 92 ASN CA C 56.364 0.200 1 888 181 92 ASN CB C 38.831 0.200 1 889 181 92 ASN N N 116.193 0.200 1 890 181 92 ASN ND2 N 112.123 0.200 1 891 182 93 ILE H H 8.636 0.020 1 892 182 93 ILE HA H 3.767 0.020 1 893 182 93 ILE HB H 1.565 0.020 1 894 182 93 ILE HG12 H 0.844 0.020 1 895 182 93 ILE HG13 H 0.817 0.020 1 896 182 93 ILE HG2 H 0.271 0.020 1 897 182 93 ILE HD1 H 0.383 0.020 1 898 182 93 ILE CA C 62.094 0.200 1 899 182 93 ILE CB C 36.518 0.200 1 900 182 93 ILE CG1 C 27.576 0.200 1 901 182 93 ILE CG2 C 18.501 0.200 1 902 182 93 ILE CD1 C 11.325 0.200 1 903 182 93 ILE N N 118.691 0.200 1 904 183 94 THR H H 8.149 0.020 1 905 183 94 THR HA H 4.070 0.020 1 906 183 94 THR HB H 4.464 0.020 1 907 183 94 THR HG2 H 1.446 0.020 1 908 183 94 THR CA C 68.813 0.200 1 909 183 94 THR CB C 68.227 0.200 1 910 183 94 THR CG2 C 22.186 0.200 1 911 183 94 THR N N 118.243 0.200 1 912 184 95 ILE H H 8.469 0.020 1 913 184 95 ILE HA H 3.654 0.020 1 914 184 95 ILE HB H 2.045 0.020 1 915 184 95 ILE HG12 H 1.071 0.020 1 916 184 95 ILE HG13 H 1.885 0.020 1 917 184 95 ILE HG2 H 0.859 0.020 1 918 184 95 ILE HD1 H 0.760 0.020 1 919 184 95 ILE CA C 66.358 0.200 1 920 184 95 ILE CB C 36.820 0.200 1 921 184 95 ILE CG1 C 30.357 0.200 1 922 184 95 ILE CG2 C 16.685 0.200 1 923 184 95 ILE CD1 C 13.378 0.200 1 924 184 95 ILE N N 120.912 0.200 1 925 185 96 LYS H H 8.060 0.020 1 926 185 96 LYS HA H 4.054 0.020 1 927 185 96 LYS HB2 H 1.944 0.020 1 928 185 96 LYS HB3 H 1.884 0.020 1 929 185 96 LYS HG2 H 1.419 0.020 1 930 185 96 LYS HG3 H 1.386 0.020 1 931 185 96 LYS HD2 H 1.648 0.020 2 932 185 96 LYS HD3 H 1.650 0.020 2 933 185 96 LYS HE2 H 2.941 0.020 2 934 185 96 LYS HE3 H 2.897 0.020 2 935 185 96 LYS CA C 59.819 0.200 1 936 185 96 LYS CB C 32.121 0.200 1 937 185 96 LYS CG C 25.037 0.200 1 938 185 96 LYS CD C 28.972 0.200 1 939 185 96 LYS CE C 41.848 0.200 1 940 185 96 LYS N N 123.183 0.200 1 941 186 97 GLN H H 8.479 0.020 1 942 186 97 GLN HA H 4.063 0.020 1 943 186 97 GLN HB2 H 1.907 0.020 1 944 186 97 GLN HB3 H 1.897 0.020 1 945 186 97 GLN HG2 H 1.739 0.020 1 946 186 97 GLN HG3 H 2.059 0.020 1 947 186 97 GLN HE21 H 6.679 0.020 1 948 186 97 GLN HE22 H 6.847 0.020 1 949 186 97 GLN CA C 58.053 0.200 1 950 186 97 GLN CB C 27.929 0.200 1 951 186 97 GLN CG C 33.646 0.200 1 952 186 97 GLN N N 116.855 0.200 1 953 186 97 GLN NE2 N 109.870 0.200 1 954 187 98 HIS H H 8.419 0.020 1 955 187 98 HIS HA H 4.562 0.020 1 956 187 98 HIS HB2 H 3.358 0.020 1 957 187 98 HIS HB3 H 3.119 0.020 1 958 187 98 HIS HD2 H 7.377 0.020 1 959 187 98 HIS CA C 59.598 0.200 1 960 187 98 HIS CB C 31.817 0.200 1 961 187 98 HIS CD2 C 120.447 0.200 1 962 187 98 HIS N N 119.502 0.200 1 963 188 99 THR H H 8.426 0.020 1 964 188 99 THR HA H 4.057 0.020 1 965 188 99 THR HB H 4.444 0.020 1 966 188 99 THR HG2 H 1.246 0.020 1 967 188 99 THR CA C 66.312 0.200 1 968 188 99 THR CB C 68.725 0.200 1 969 188 99 THR CG2 C 21.215 0.200 1 970 188 99 THR N N 114.460 0.200 1 971 189 100 VAL H H 8.053 0.020 1 972 189 100 VAL HA H 3.894 0.020 1 973 189 100 VAL HB H 2.218 0.020 1 974 189 100 VAL HG1 H 0.946 0.020 1 975 189 100 VAL HG2 H 1.040 0.020 1 976 189 100 VAL CA C 65.949 0.200 1 977 189 100 VAL CB C 31.997 0.200 1 978 189 100 VAL CG1 C 21.011 0.200 1 979 189 100 VAL CG2 C 21.999 0.200 1 980 189 100 VAL N N 122.866 0.200 1 981 190 101 THR H H 8.128 0.020 1 982 190 101 THR HA H 4.108 0.020 1 983 190 101 THR HB H 4.247 0.020 1 984 190 101 THR HG2 H 1.281 0.020 1 985 190 101 THR CA C 65.082 0.200 1 986 190 101 THR CB C 69.119 0.200 1 987 190 101 THR CG2 C 21.677 0.200 1 988 190 101 THR N N 115.056 0.200 1 989 191 102 THR H H 8.013 0.020 1 990 191 102 THR HA H 4.053 0.020 1 991 191 102 THR HB H 4.063 0.020 1 992 191 102 THR HG2 H 0.911 0.020 1 993 191 102 THR CA C 64.999 0.200 1 994 191 102 THR CB C 69.054 0.200 1 995 191 102 THR CG2 C 21.268 0.200 1 996 191 102 THR N N 114.562 0.200 1 997 192 103 THR H H 8.223 0.020 1 998 192 103 THR HA H 4.355 0.020 1 999 192 103 THR HB H 4.341 0.020 1 1000 192 103 THR HG2 H 1.315 0.020 1 1001 192 103 THR CA C 65.124 0.200 1 1002 192 103 THR CB C 69.009 0.200 1 1003 192 103 THR CG2 C 21.468 0.200 1 1004 192 103 THR N N 117.769 0.200 1 1005 193 104 THR H H 7.820 0.020 1 1006 193 104 THR HA H 4.178 0.020 1 1007 193 104 THR HB H 4.301 0.020 1 1008 193 104 THR HG2 H 1.315 0.020 1 1009 193 104 THR CA C 64.468 0.200 1 1010 193 104 THR CB C 69.013 0.200 1 1011 193 104 THR CG2 C 21.915 0.200 1 1012 193 104 THR N N 116.232 0.200 1 1013 194 105 LYS H H 7.530 0.020 1 1014 194 105 LYS HA H 4.324 0.020 1 1015 194 105 LYS HB2 H 2.002 0.020 1 1016 194 105 LYS HB3 H 1.800 0.020 1 1017 194 105 LYS HG2 H 1.442 0.020 1 1018 194 105 LYS HG3 H 1.487 0.020 1 1019 194 105 LYS HD2 H 1.647 0.020 2 1020 194 105 LYS HD3 H 1.647 0.020 2 1021 194 105 LYS HE2 H 2.951 0.020 1 1022 194 105 LYS HE3 H 2.898 0.020 1 1023 194 105 LYS CA C 56.219 0.200 1 1024 194 105 LYS CB C 32.671 0.200 1 1025 194 105 LYS CG C 24.789 0.200 1 1026 194 105 LYS CD C 28.961 0.200 1 1027 194 105 LYS CE C 41.796 0.200 1 1028 194 105 LYS N N 119.954 0.200 1 1029 195 106 GLY H H 7.942 0.020 1 1030 195 106 GLY HA2 H 4.137 0.020 1 1031 195 106 GLY HA3 H 3.788 0.020 1 1032 195 106 GLY CA C 45.495 0.200 1 1033 195 106 GLY N N 108.021 0.200 1 1034 196 107 GLU H H 7.495 0.020 1 1035 196 107 GLU HA H 4.246 0.020 1 1036 196 107 GLU HB2 H 1.538 0.020 1 1037 196 107 GLU HB3 H 1.569 0.020 1 1038 196 107 GLU HG2 H 2.051 0.020 1 1039 196 107 GLU HG3 H 1.890 0.020 1 1040 196 107 GLU CA C 55.573 0.200 1 1041 196 107 GLU CB C 31.139 0.200 1 1042 196 107 GLU CG C 35.947 0.200 1 1043 196 107 GLU N N 120.036 0.200 1 1044 197 108 ASN H H 8.457 0.020 1 1045 197 108 ASN HA H 4.641 0.020 1 1046 197 108 ASN HB2 H 2.574 0.020 1 1047 197 108 ASN HB3 H 2.622 0.020 1 1048 197 108 ASN HD21 H 7.533 0.020 1 1049 197 108 ASN HD22 H 6.790 0.020 1 1050 197 108 ASN CA C 52.715 0.200 1 1051 197 108 ASN CB C 40.955 0.200 1 1052 197 108 ASN N N 119.387 0.200 1 1053 197 108 ASN ND2 N 113.205 0.200 1 1054 198 109 PHE H H 8.705 0.020 1 1055 198 109 PHE HA H 5.308 0.020 1 1056 198 109 PHE HB2 H 3.138 0.020 1 1057 198 109 PHE HB3 H 2.907 0.020 1 1058 198 109 PHE HD1 H 7.328 0.020 3 1059 198 109 PHE HD2 H 7.327 0.020 3 1060 198 109 PHE HE1 H 7.453 0.020 3 1061 198 109 PHE HE2 H 7.453 0.020 3 1062 198 109 PHE HZ H 7.298 0.020 1 1063 198 109 PHE CA C 56.544 0.200 1 1064 198 109 PHE CB C 40.157 0.200 1 1065 198 109 PHE CD1 C 131.564 0.200 3 1066 198 109 PHE CD2 C 131.564 0.200 3 1067 198 109 PHE CE1 C 130.223 0.200 3 1068 198 109 PHE CE2 C 130.223 0.200 3 1069 198 109 PHE CZ C 131.421 0.200 1 1070 198 109 PHE N N 121.734 0.200 1 1071 199 110 THR H H 9.543 0.020 1 1072 199 110 THR HA H 4.612 0.020 1 1073 199 110 THR HB H 4.820 0.020 1 1074 199 110 THR HG2 H 1.414 0.020 1 1075 199 110 THR CA C 60.371 0.200 1 1076 199 110 THR CB C 72.062 0.200 1 1077 199 110 THR CG2 C 21.681 0.200 1 1078 199 110 THR N N 115.929 0.200 1 1079 200 111 GLU H H 9.132 0.020 1 1080 200 111 GLU HA H 4.049 0.020 1 1081 200 111 GLU HB2 H 2.108 0.020 1 1082 200 111 GLU HB3 H 2.049 0.020 1 1083 200 111 GLU HG2 H 2.309 0.020 1 1084 200 111 GLU HG3 H 2.384 0.020 1 1085 200 111 GLU CA C 60.027 0.200 1 1086 200 111 GLU CB C 29.058 0.200 1 1087 200 111 GLU CG C 36.279 0.200 1 1088 200 111 GLU N N 119.979 0.000 1 1089 201 112 THR H H 7.934 0.020 1 1090 201 112 THR HA H 3.783 0.020 1 1091 201 112 THR HB H 3.692 0.020 1 1092 201 112 THR HG2 H 0.688 0.020 1 1093 201 112 THR CA C 66.769 0.200 1 1094 201 112 THR CB C 68.588 0.200 1 1095 201 112 THR CG2 C 21.009 0.200 1 1096 201 112 THR N N 116.215 0.200 1 1097 202 113 ASP H H 7.500 0.020 1 1098 202 113 ASP HA H 4.584 0.020 1 1099 202 113 ASP HB2 H 3.418 0.020 1 1100 202 113 ASP HB3 H 2.652 0.020 1 1101 202 113 ASP CA C 57.975 0.200 1 1102 202 113 ASP CB C 41.864 0.200 1 1103 202 113 ASP N N 119.975 0.200 1 1104 203 114 VAL H H 8.212 0.020 1 1105 203 114 VAL HA H 3.263 0.020 1 1106 203 114 VAL HB H 2.081 0.020 1 1107 203 114 VAL HG1 H 0.871 0.020 1 1108 203 114 VAL HG2 H 0.950 0.020 1 1109 203 114 VAL CA C 67.798 0.200 1 1110 203 114 VAL CB C 31.513 0.200 1 1111 203 114 VAL CG1 C 21.161 0.200 1 1112 203 114 VAL CG2 C 22.706 0.200 1 1113 203 114 VAL N N 119.513 0.200 1 1114 204 115 LYS H H 7.710 0.020 1 1115 204 115 LYS HA H 4.067 0.020 1 1116 204 115 LYS HB2 H 1.947 0.020 1 1117 204 115 LYS HB3 H 1.909 0.020 1 1118 204 115 LYS HG2 H 1.607 0.020 1 1119 204 115 LYS HG3 H 1.456 0.020 1 1120 204 115 LYS HD2 H 1.678 0.020 1 1121 204 115 LYS HD3 H 1.684 0.020 1 1122 204 115 LYS HE2 H 2.950 0.020 1 1123 204 115 LYS HE3 H 2.918 0.020 1 1124 204 115 LYS CA C 59.198 0.200 1 1125 204 115 LYS CB C 32.221 0.200 1 1126 204 115 LYS CG C 25.096 0.200 1 1127 204 115 LYS CD C 29.057 0.200 1 1128 204 115 LYS CE C 41.774 0.200 1 1129 204 115 LYS N N 119.055 0.200 1 1130 205 116 MET H H 8.183 0.020 1 1131 205 116 MET HA H 4.148 0.020 1 1132 205 116 MET HB2 H 2.244 0.020 1 1133 205 116 MET HB3 H 1.945 0.020 1 1134 205 116 MET HG2 H 2.945 0.020 1 1135 205 116 MET HG3 H 2.161 0.020 1 1136 205 116 MET HE H 1.480 0.020 1 1137 205 116 MET CA C 60.076 0.200 1 1138 205 116 MET CB C 32.696 0.200 1 1139 205 116 MET CG C 34.149 0.200 1 1140 205 116 MET CE C 18.220 0.200 1 1141 205 116 MET N N 118.609 0.200 1 1142 206 117 MET H H 8.697 0.020 1 1143 206 117 MET HA H 3.543 0.020 1 1144 206 117 MET HB2 H 2.036 0.020 1 1145 206 117 MET HB3 H 1.565 0.020 1 1146 206 117 MET HG2 H 1.696 0.020 1 1147 206 117 MET HG3 H 1.961 0.020 1 1148 206 117 MET HE H 1.294 0.020 1 1149 206 117 MET CA C 59.852 0.200 1 1150 206 117 MET CB C 33.071 0.200 1 1151 206 117 MET CG C 33.739 0.200 1 1152 206 117 MET CE C 15.867 0.200 1 1153 206 117 MET N N 118.275 0.200 1 1154 207 118 GLU H H 8.510 0.020 1 1155 207 118 GLU HA H 3.648 0.020 1 1156 207 118 GLU HB2 H 1.966 0.020 1 1157 207 118 GLU HB3 H 2.230 0.020 1 1158 207 118 GLU HG2 H 2.101 0.020 1 1159 207 118 GLU HG3 H 2.510 0.020 1 1160 207 118 GLU CA C 60.461 0.200 1 1161 207 118 GLU CB C 29.017 0.200 1 1162 207 118 GLU CG C 36.231 0.200 1 1163 207 118 GLU N N 118.719 0.200 1 1164 208 119 ARG H H 7.281 0.020 1 1165 208 119 ARG HA H 4.214 0.020 1 1166 208 119 ARG HB2 H 2.080 0.020 1 1167 208 119 ARG HB3 H 1.935 0.020 1 1168 208 119 ARG HG2 H 1.825 0.020 1 1169 208 119 ARG HG3 H 1.746 0.020 1 1170 208 119 ARG HD2 H 3.236 0.020 1 1171 208 119 ARG HD3 H 3.140 0.020 1 1172 208 119 ARG CA C 58.424 0.200 1 1173 208 119 ARG CB C 30.057 0.200 1 1174 208 119 ARG CG C 26.855 0.200 1 1175 208 119 ARG CD C 42.526 0.200 1 1176 208 119 ARG N N 116.762 0.200 1 1177 209 120 VAL H H 8.275 0.020 1 1178 209 120 VAL HA H 3.812 0.020 1 1179 209 120 VAL HB H 2.290 0.020 1 1180 209 120 VAL HG1 H 1.261 0.020 1 1181 209 120 VAL HG2 H 1.299 0.020 1 1182 209 120 VAL CA C 65.824 0.200 1 1183 209 120 VAL CB C 32.284 0.200 1 1184 209 120 VAL CG1 C 20.926 0.200 1 1185 209 120 VAL CG2 C 24.022 0.200 1 1186 209 120 VAL N N 119.020 0.200 1 1187 210 121 VAL H H 9.129 0.020 1 1188 210 121 VAL HA H 3.653 0.020 1 1189 210 121 VAL HB H 2.256 0.020 1 1190 210 121 VAL HG1 H 1.214 0.020 1 1191 210 121 VAL HG2 H 0.927 0.020 1 1192 210 121 VAL CA C 66.173 0.200 1 1193 210 121 VAL CB C 31.088 0.200 1 1194 210 121 VAL CG1 C 24.864 0.200 1 1195 210 121 VAL CG2 C 24.344 0.200 1 1196 210 121 VAL N N 121.406 0.200 1 1197 211 122 GLU H H 8.022 0.020 1 1198 211 122 GLU HA H 3.577 0.020 1 1199 211 122 GLU HB2 H 2.225 0.020 1 1200 211 122 GLU HB3 H 2.050 0.020 1 1201 211 122 GLU HG2 H 2.104 0.020 2 1202 211 122 GLU HG3 H 2.104 0.020 2 1203 211 122 GLU CA C 61.147 0.200 1 1204 211 122 GLU CB C 29.164 0.200 1 1205 211 122 GLU CG C 36.082 0.200 1 1206 211 122 GLU N N 120.689 0.200 1 1207 212 123 GLN H H 7.129 0.020 1 1208 212 123 GLN HA H 3.966 0.020 1 1209 212 123 GLN HB2 H 2.118 0.020 1 1210 212 123 GLN HB3 H 2.204 0.020 1 1211 212 123 GLN HG2 H 2.400 0.020 1 1212 212 123 GLN HG3 H 2.456 0.020 1 1213 212 123 GLN HE21 H 7.558 0.020 1 1214 212 123 GLN HE22 H 6.867 0.020 1 1215 212 123 GLN CA C 58.996 0.200 1 1216 212 123 GLN CB C 27.661 0.200 1 1217 212 123 GLN CG C 33.823 0.200 1 1218 212 123 GLN N N 114.869 0.200 1 1219 212 123 GLN NE2 N 113.214 0.200 1 1220 213 124 MET H H 8.154 0.020 1 1221 213 124 MET HA H 4.142 0.020 1 1222 213 124 MET HB2 H 2.139 0.020 1 1223 213 124 MET HB3 H 2.153 0.020 1 1224 213 124 MET HG2 H 2.802 0.020 1 1225 213 124 MET HG3 H 2.454 0.020 1 1226 213 124 MET HE H 1.872 0.020 1 1227 213 124 MET CA C 59.937 0.200 1 1228 213 124 MET CB C 34.460 0.200 1 1229 213 124 MET CG C 32.352 0.200 1 1230 213 124 MET CE C 16.636 0.200 1 1231 213 124 MET N N 119.356 0.200 1 1232 214 125 CYS H H 9.231 0.020 1 1233 214 125 CYS HA H 4.402 0.020 1 1234 214 125 CYS HB2 H 3.522 0.020 1 1235 214 125 CYS HB3 H 2.900 0.020 1 1236 214 125 CYS CA C 59.867 0.200 1 1237 214 125 CYS CB C 41.888 0.200 1 1238 214 125 CYS N N 119.433 0.200 1 1239 215 126 ILE H H 8.385 0.020 1 1240 215 126 ILE HA H 3.582 0.020 1 1241 215 126 ILE HB H 2.006 0.020 1 1242 215 126 ILE HG12 H 0.841 0.020 1 1243 215 126 ILE HG13 H 1.976 0.020 1 1244 215 126 ILE HG2 H 0.896 0.020 1 1245 215 126 ILE HD1 H 0.836 0.020 1 1246 215 126 ILE CA C 66.629 0.200 1 1247 215 126 ILE CB C 38.074 0.200 1 1248 215 126 ILE CG1 C 30.941 0.200 1 1249 215 126 ILE CG2 C 17.236 0.200 1 1250 215 126 ILE CD1 C 14.044 0.200 1 1251 215 126 ILE N N 124.109 0.200 1 1252 216 127 THR H H 8.094 0.020 1 1253 216 127 THR HA H 3.961 0.020 1 1254 216 127 THR HB H 4.305 0.020 1 1255 216 127 THR HG2 H 1.217 0.020 1 1256 216 127 THR CA C 66.992 0.200 1 1257 216 127 THR CB C 68.195 0.200 1 1258 216 127 THR CG2 C 21.976 0.200 1 1259 216 127 THR N N 118.658 0.200 1 1260 217 128 GLN H H 8.648 0.020 1 1261 217 128 GLN HA H 3.654 0.020 1 1262 217 128 GLN HB2 H 2.254 0.020 1 1263 217 128 GLN HB3 H 2.122 0.020 1 1264 217 128 GLN HG2 H 1.745 0.020 1 1265 217 128 GLN HG3 H 1.616 0.020 1 1266 217 128 GLN HE21 H 7.238 0.020 1 1267 217 128 GLN HE22 H 6.739 0.020 1 1268 217 128 GLN CA C 58.436 0.200 1 1269 217 128 GLN CB C 28.180 0.200 1 1270 217 128 GLN CG C 32.513 0.200 1 1271 217 128 GLN N N 122.085 0.200 1 1272 217 128 GLN NE2 N 115.370 0.200 1 1273 218 129 TYR H H 8.634 0.020 1 1274 218 129 TYR HA H 2.937 0.020 1 1275 218 129 TYR HB2 H 3.100 0.020 1 1276 218 129 TYR HB3 H 2.736 0.020 1 1277 218 129 TYR HD1 H 6.220 0.020 3 1278 218 129 TYR HD2 H 6.220 0.020 3 1279 218 129 TYR HE1 H 6.541 0.020 3 1280 218 129 TYR HE2 H 6.541 0.020 3 1281 218 129 TYR CA C 62.007 0.200 1 1282 218 129 TYR CB C 36.990 0.200 1 1283 218 129 TYR CD1 C 132.546 0.200 3 1284 218 129 TYR CD2 C 132.546 0.200 3 1285 218 129 TYR CE1 C 117.802 0.200 3 1286 218 129 TYR CE2 C 117.802 0.200 3 1287 218 129 TYR N N 121.541 0.200 1 1288 219 130 GLU H H 8.304 0.020 1 1289 219 130 GLU HA H 3.709 0.020 1 1290 219 130 GLU HB2 H 2.325 0.020 1 1291 219 130 GLU HB3 H 2.104 0.020 1 1292 219 130 GLU HG2 H 2.565 0.020 1 1293 219 130 GLU HG3 H 2.296 0.020 1 1294 219 130 GLU CA C 59.672 0.200 1 1295 219 130 GLU CB C 28.735 0.200 1 1296 219 130 GLU CG C 35.947 0.200 1 1297 219 130 GLU N N 121.386 0.200 1 1298 220 131 ARG H H 7.830 0.020 1 1299 220 131 ARG HA H 3.975 0.020 1 1300 220 131 ARG HB2 H 1.873 0.020 1 1301 220 131 ARG HB3 H 1.846 0.020 1 1302 220 131 ARG HG2 H 1.611 0.020 1 1303 220 131 ARG HG3 H 1.830 0.020 1 1304 220 131 ARG HD2 H 3.085 0.020 1 1305 220 131 ARG HD3 H 2.931 0.020 1 1306 220 131 ARG CA C 59.257 0.200 1 1307 220 131 ARG CB C 30.077 0.200 1 1308 220 131 ARG CG C 26.978 0.200 1 1309 220 131 ARG CD C 43.929 0.200 1 1310 220 131 ARG N N 118.923 0.200 1 1311 221 132 GLU H H 8.551 0.020 1 1312 221 132 GLU HA H 4.037 0.020 1 1313 221 132 GLU HB2 H 1.687 0.020 1 1314 221 132 GLU HB3 H 2.004 0.020 1 1315 221 132 GLU HG2 H 2.210 0.020 1 1316 221 132 GLU HG3 H 2.519 0.020 1 1317 221 132 GLU CA C 58.130 0.200 1 1318 221 132 GLU CB C 29.162 0.200 1 1319 221 132 GLU CG C 36.840 0.200 1 1320 221 132 GLU N N 119.785 0.200 1 1321 222 133 SER H H 8.569 0.020 1 1322 222 133 SER HA H 3.856 0.020 1 1323 222 133 SER HB2 H 3.349 0.020 1 1324 222 133 SER HB3 H 3.548 0.020 1 1325 222 133 SER CA C 61.588 0.200 1 1326 222 133 SER CB C 62.236 0.200 1 1327 222 133 SER N N 116.346 0.200 1 1328 223 134 GLN H H 7.587 0.020 1 1329 223 134 GLN HA H 4.111 0.020 1 1330 223 134 GLN HB2 H 2.052 0.020 1 1331 223 134 GLN HB3 H 2.119 0.020 1 1332 223 134 GLN HG2 H 2.514 0.020 1 1333 223 134 GLN HG3 H 2.399 0.020 1 1334 223 134 GLN HE21 H 7.505 0.020 1 1335 223 134 GLN HE22 H 6.809 0.020 1 1336 223 134 GLN CA C 58.600 0.200 1 1337 223 134 GLN CB C 28.135 0.200 1 1338 223 134 GLN CG C 33.889 0.200 1 1339 223 134 GLN N N 120.502 0.200 1 1340 223 134 GLN NE2 N 111.832 0.200 1 1341 224 135 ALA H H 7.502 0.020 1 1342 224 135 ALA HA H 4.144 0.020 1 1343 224 135 ALA HB H 1.442 0.020 1 1344 224 135 ALA CA C 54.395 0.200 1 1345 224 135 ALA CB C 18.265 0.200 1 1346 224 135 ALA N N 120.859 0.200 1 1347 225 136 TYR H H 8.226 0.020 1 1348 225 136 TYR HA H 4.072 0.020 1 1349 225 136 TYR HB2 H 3.052 0.020 1 1350 225 136 TYR HB3 H 2.821 0.020 1 1351 225 136 TYR HD1 H 6.628 0.020 3 1352 225 136 TYR HD2 H 6.628 0.020 3 1353 225 136 TYR HE1 H 6.819 0.020 3 1354 225 136 TYR HE2 H 6.819 0.020 3 1355 225 136 TYR CA C 60.966 0.200 1 1356 225 136 TYR CB C 38.974 0.200 1 1357 225 136 TYR CD1 C 133.185 0.200 3 1358 225 136 TYR CD2 C 133.185 0.200 3 1359 225 136 TYR CE1 C 118.033 0.200 3 1360 225 136 TYR CE2 C 118.033 0.200 3 1361 225 136 TYR N N 119.914 0.200 1 1362 226 137 TYR H H 8.055 0.020 1 1363 226 137 TYR HA H 4.298 0.020 1 1364 226 137 TYR HB2 H 2.945 0.020 1 1365 226 137 TYR HB3 H 3.166 0.020 1 1366 226 137 TYR HD1 H 7.185 0.020 3 1367 226 137 TYR HD2 H 7.185 0.020 3 1368 226 137 TYR HE1 H 6.982 0.020 3 1369 226 137 TYR HE2 H 6.980 0.020 3 1370 226 137 TYR CA C 59.663 0.200 1 1371 226 137 TYR CB C 37.765 0.200 1 1372 226 137 TYR CD1 C 133.281 0.200 3 1373 226 137 TYR CD2 C 133.281 0.200 3 1374 226 137 TYR CE1 C 118.033 0.200 3 1375 226 137 TYR CE2 C 118.044 0.200 3 1376 226 137 TYR N N 117.922 0.200 1 1377 227 138 GLN H H 7.840 0.020 1 1378 227 138 GLN HA H 4.173 0.020 1 1379 227 138 GLN HB2 H 2.153 0.020 1 1380 227 138 GLN HB3 H 2.104 0.020 1 1381 227 138 GLN HG2 H 2.400 0.020 1 1382 227 138 GLN HG3 H 2.445 0.020 1 1383 227 138 GLN HE21 H 7.500 0.020 1 1384 227 138 GLN HE22 H 6.808 0.020 1 1385 227 138 GLN CA C 56.910 0.200 1 1386 227 138 GLN CB C 28.724 0.200 1 1387 227 138 GLN CG C 33.746 0.200 1 1388 227 138 GLN N N 118.782 0.200 1 1389 227 138 GLN NE2 N 111.785 0.200 1 1390 228 139 ARG H H 7.888 0.020 1 1391 228 139 ARG HA H 4.201 0.020 1 1392 228 139 ARG HB2 H 1.827 0.020 1 1393 228 139 ARG HB3 H 1.799 0.020 1 1394 228 139 ARG HG2 H 1.711 0.020 1 1395 228 139 ARG HG3 H 1.584 0.020 1 1396 228 139 ARG HD2 H 3.103 0.020 1 1397 228 139 ARG HD3 H 3.183 0.020 1 1398 228 139 ARG CA C 57.304 0.200 1 1399 228 139 ARG CB C 30.418 0.200 1 1400 228 139 ARG CG C 27.447 0.200 1 1401 228 139 ARG CD C 43.473 0.200 1 1402 228 139 ARG N N 119.812 0.200 1 1403 229 140 GLY H H 8.111 0.020 1 1404 229 140 GLY HA2 H 3.841 0.020 1 1405 229 140 GLY HA3 H 3.860 0.020 1 1406 229 140 GLY CA C 45.518 0.200 1 1407 229 140 GLY N N 108.706 0.200 1 1408 230 141 SER H H 8.046 0.020 1 1409 230 141 SER HA H 4.312 0.020 1 1410 230 141 SER HB2 H 3.837 0.020 2 1411 230 141 SER HB3 H 3.837 0.020 2 1412 230 141 SER CA C 58.625 0.200 1 1413 230 141 SER CB C 63.605 0.200 1 1414 230 141 SER N N 115.146 0.200 1 1415 231 142 SER H H 8.230 0.020 1 1416 231 142 SER HA H 4.357 0.020 1 1417 231 142 SER HB2 H 3.787 0.020 2 1418 231 142 SER HB3 H 3.787 0.020 2 1419 231 142 SER CA C 58.422 0.200 1 1420 231 142 SER CB C 63.501 0.200 1 1421 231 142 SER N N 117.109 0.200 1 stop_ save_