data_18550 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution-state NMR of prion protein mutant V210I at pH 7 ; _BMRB_accession_number 18550 _BMRB_flat_file_name bmr18550.str _Entry_type original _Submission_date 2012-06-26 _Accession_date 2012-06-26 _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 Giachin Gabriele . . 4 Legname Giuseppe . . 5 Plavec Janez . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 791 "13C chemical shifts" 460 "15N chemical shifts" 132 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2013-02-20 update BMRB 'update entry citation' 2012-09-17 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Structural Rearrangements at Physiological pH: Nuclear Magnetic Resonance Insights from the V210I Human Prion Protein Mutant.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 22947063 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Biljan Ivana . . 2 Ilc Gregor . . 3 Giachin Gabriele . . 4 Plavec Janez . . 5 Legname Giuseppe . . stop_ _Journal_abbreviation Biochemistry _Journal_name_full Biochemistry _Journal_volume 51 _Journal_issue 38 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 7465 _Page_last 7474 _Year 2012 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name V210I _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label V210I $V210I 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_V210I _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common V210I _Molecular_mass 16654.660 _Mol_thiol_state 'all disulfide bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 147 _Mol_residue_sequence ; GAMDPGQGGGTHSQWNKPSK PKTNMKHMAGAAAAGAVVGG LGGYMLGSAMSRPIIHFGSD YEDRYYRENMHRYPNQVYYR PMDEYSNQNNFVHDCVNITI KQHTVTTTTKGENFTETDVK MMERVIEQMCITQYERESQA YYQRGSS ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 85 GLY 2 86 ALA 3 87 MET 4 88 ASP 5 89 PRO 6 90 GLY 7 91 GLN 8 92 GLY 9 93 GLY 10 94 GLY 11 95 THR 12 96 HIS 13 97 SER 14 98 GLN 15 99 TRP 16 100 ASN 17 101 LYS 18 102 PRO 19 103 SER 20 104 LYS 21 105 PRO 22 106 LYS 23 107 THR 24 108 ASN 25 109 MET 26 110 LYS 27 111 HIS 28 112 MET 29 113 ALA 30 114 GLY 31 115 ALA 32 116 ALA 33 117 ALA 34 118 ALA 35 119 GLY 36 120 ALA 37 121 VAL 38 122 VAL 39 123 GLY 40 124 GLY 41 125 LEU 42 126 GLY 43 127 GLY 44 128 TYR 45 129 MET 46 130 LEU 47 131 GLY 48 132 SER 49 133 ALA 50 134 MET 51 135 SER 52 136 ARG 53 137 PRO 54 138 ILE 55 139 ILE 56 140 HIS 57 141 PHE 58 142 GLY 59 143 SER 60 144 ASP 61 145 TYR 62 146 GLU 63 147 ASP 64 148 ARG 65 149 TYR 66 150 TYR 67 151 ARG 68 152 GLU 69 153 ASN 70 154 MET 71 155 HIS 72 156 ARG 73 157 TYR 74 158 PRO 75 159 ASN 76 160 GLN 77 161 VAL 78 162 TYR 79 163 TYR 80 164 ARG 81 165 PRO 82 166 MET 83 167 ASP 84 168 GLU 85 169 TYR 86 170 SER 87 171 ASN 88 172 GLN 89 173 ASN 90 174 ASN 91 175 PHE 92 176 VAL 93 177 HIS 94 178 ASP 95 179 CYS 96 180 VAL 97 181 ASN 98 182 ILE 99 183 THR 100 184 ILE 101 185 LYS 102 186 GLN 103 187 HIS 104 188 THR 105 189 VAL 106 190 THR 107 191 THR 108 192 THR 109 193 THR 110 194 LYS 111 195 GLY 112 196 GLU 113 197 ASN 114 198 PHE 115 199 THR 116 200 GLU 117 201 THR 118 202 ASP 119 203 VAL 120 204 LYS 121 205 MET 122 206 MET 123 207 GLU 124 208 ARG 125 209 VAL 126 210 ILE 127 211 GLU 128 212 GLN 129 213 MET 130 214 CYS 131 215 ILE 132 216 THR 133 217 GLN 134 218 TYR 135 219 GLU 136 220 ARG 137 221 GLU 138 222 SER 139 223 GLN 140 224 ALA 141 225 TYR 142 226 TYR 143 227 GLN 144 228 ARG 145 229 GLY 146 230 SER 147 231 SER stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-08-12 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value BMRB 15676 V129/D178N_prion_protein 97.96 146 97.92 100.00 3.68e-102 BMRB 16743 "HuPrP(90-231 M129 Q212P)" 96.60 148 98.59 99.30 4.23e-100 BMRB 16757 PrP^(91-231) 97.96 145 97.22 100.00 1.59e-101 BMRB 17714 HuPrP 100.00 147 100.00 100.00 5.33e-106 BMRB 17756 hPrP(121-230) 74.83 113 99.09 100.00 2.95e-75 BMRB 17757 hPrP(121-230) 74.83 113 97.27 98.18 2.07e-72 BMRB 17780 Hpp_E219K 96.60 142 98.59 100.00 5.96e-101 BMRB 18426 entity 96.60 142 99.30 100.00 1.39e-101 BMRB 19268 MAJOR_PRION_PROTEIN 97.96 146 98.61 100.00 6.48e-103 BMRB 4379 "human prion protein" 76.19 112 98.21 100.00 1.66e-76 BMRB 4402 "human prion protein" 95.92 210 99.29 100.00 1.63e-99 BMRB 4434 "human prion protein" 95.92 143 99.29 100.00 7.10e-101 BMRB 4620 "prion protein" 76.19 112 97.32 100.00 4.29e-76 BMRB 4641 "PRION PROTEIN" 97.96 146 98.61 100.00 7.23e-103 BMRB 4736 "human prion protein" 76.19 112 97.32 100.00 7.08e-76 PDB 1E1G "Human Prion Protein Variant M166v" 70.07 104 98.06 100.00 1.54e-69 PDB 1E1J "Human Prion Protein Variant M166v" 70.07 104 98.06 100.00 1.54e-69 PDB 1E1P "Human Prion Protein Variant S170n" 70.07 104 98.06 100.00 1.64e-69 PDB 1E1S "Human Prion Protein Variant S170n" 70.07 104 98.06 100.00 1.64e-69 PDB 1E1U "Human Prion Protein Variant R220k" 70.07 104 98.06 100.00 1.08e-69 PDB 1E1W "Human Prion Protein Variant R220k" 70.07 104 98.06 100.00 1.08e-69 PDB 1FKC "Human Prion Protein (Mutant E200k) Fragment 90-231" 96.60 142 98.59 100.00 5.96e-101 PDB 1FO7 "Human Prion Protein Mutant E200k Fragment 90-231" 96.60 142 98.59 100.00 5.96e-101 PDB 1HJM "Human Prion Protein At Ph 7.0" 70.07 104 99.03 100.00 3.45e-70 PDB 1HJN "Human Prion Protein At Ph 7.0" 70.07 104 99.03 100.00 3.45e-70 PDB 1I4M "Crystal Structure Of The Human Prion Protein Reveals A Mechanism For Oligomerization" 73.47 108 99.07 100.00 5.52e-74 PDB 1QLX "Human Prion Protein" 95.92 210 99.29 100.00 1.63e-99 PDB 1QLZ "Human Prion Protein" 95.92 210 99.29 100.00 1.63e-99 PDB 1QM0 "Human Prion Protein Fragment 90-230" 95.92 143 99.29 100.00 7.10e-101 PDB 1QM1 "Human Prion Protein Fragment 90-230" 95.92 143 99.29 100.00 7.10e-101 PDB 1QM2 "Human Prion Protein Fragment 121-230" 76.19 112 98.21 100.00 1.66e-76 PDB 1QM3 "Human Prion Protein Fragment 121-230" 76.19 112 98.21 100.00 1.66e-76 PDB 2K1D "Nmr Studies Of A Pathogenic Mutant (d178n) Of The Human Prion Protein" 97.96 146 97.92 100.00 3.68e-102 PDB 2KUN "Three Dimensional Structure Of Huprp(90-231 M129 Q212p)" 96.60 148 98.59 99.30 4.23e-100 PDB 2LEJ "Human Prion Protein Mutant Huprp(90-231, M129, V210i)" 100.00 147 100.00 100.00 5.33e-106 PDB 2LFT "Human Prion Protein With E219k Protective Polymorphism" 96.60 142 98.59 100.00 5.96e-101 PDB 2LSB "Solution-State Nmr Structure Of The Human Prion Protein" 96.60 142 99.30 100.00 1.39e-101 PDB 2LV1 "Solution-state Nmr Structure Of Prion Protein Mutant V210i At Neutral Ph" 100.00 147 100.00 100.00 5.33e-106 PDB 2M8T "Solution Nmr Structure Of The V209m Variant Of The Human Prion Protein (residues 90-231)" 97.96 146 98.61 100.00 6.48e-103 PDB 2W9E "Structure Of Icsm 18 (Anti-Prp Therapeutic Antibody) Fab Fragment Complexed With Human Prp Fragment 119-231" 76.87 113 99.12 100.00 9.94e-78 PDB 3HAF "Human Prion Protein Variant V129 Domain Swapped Dimer" 96.60 142 98.59 100.00 7.02e-101 PDB 3HAK "Human Prion Protein Variant V129" 70.07 103 98.06 100.00 1.22e-69 PDB 3HEQ "Human Prion Protein Variant D178n With M129" 96.60 142 98.59 100.00 8.36e-101 PDB 3HER "Human Prion Protein Variant F198s With V129" 96.60 142 97.89 99.30 1.16e-99 PDB 3HES "Human Prion Protein Variant F198s With M129" 96.60 142 98.59 99.30 2.94e-100 PDB 3HJ5 "Human Prion Protein Variant V129 Domain Swapped Dimer" 96.60 142 98.59 100.00 7.02e-101 PDB 3HJX "Human Prion Protein Variant D178n With V129" 72.11 106 97.17 100.00 5.81e-71 PDB 4DGI "Structure Of Pom1 Fab Fragment Complexed With Human Prpc Fragment 120- 230" 75.51 111 99.10 100.00 2.78e-76 PDB 4KML "Probing The N-terminal Beta-sheet Conversion In The Crystal Structure Of The Full-length Human Prion Protein Bound To A Nanobod" 96.60 241 99.30 100.00 7.27e-100 PDB 4N9O "Probing The N-terminal Beta-sheet Conversion In The Crystal Structure Of The Human Prion Protein Bound To A Nanobody" 96.60 142 99.30 100.00 1.39e-101 DBJ BAA00011 "prion protein [Homo sapiens]" 96.60 245 98.59 99.30 6.14e-97 DBJ BAF62360 "prion protein, transcript variant 2 [Pan troglodytes verus]" 96.60 253 97.89 100.00 3.14e-98 DBJ BAG32276 "prion [Homo sapiens]" 96.60 253 99.30 100.00 1.97e-99 DBJ BAG32277 "prion [Homo sapiens]" 96.60 253 98.59 100.00 8.59e-99 DBJ BAG32278 "alternatively spliced variant form of prion [Homo sapiens]" 87.07 230 99.22 100.00 6.16e-89 EMBL CAA58442 "prion protein [Homo sapiens]" 96.60 245 99.30 100.00 1.99e-99 EMBL CAG46836 "PRNP [Homo sapiens]" 96.60 253 97.89 99.30 2.25e-96 EMBL CAG46869 "PRNP [Homo sapiens]" 96.60 253 98.59 100.00 8.59e-99 GB AAA19664 "prion protein [Homo sapiens]" 96.60 245 98.59 99.30 6.14e-97 GB AAA60182 "prion protein [Homo sapiens]" 96.60 253 99.30 100.00 1.97e-99 GB AAA68632 "major prion protein precursor [Pan troglodytes]" 96.60 253 97.89 100.00 3.14e-98 GB AAA68633 "major prion protein precursor [Gorilla gorilla]" 96.60 253 98.59 100.00 5.38e-99 GB AAB59442 "prion protein, partial [Homo sapiens]" 96.60 224 99.30 100.00 1.24e-99 REF NP_000302 "major prion protein preproprotein [Homo sapiens]" 96.60 253 99.30 100.00 1.97e-99 REF NP_001009093 "major prion protein preproprotein [Pan troglodytes]" 96.60 253 97.89 100.00 3.14e-98 REF NP_001073590 "major prion protein preproprotein [Homo sapiens]" 96.60 253 99.30 100.00 1.97e-99 REF NP_001073591 "major prion protein preproprotein [Homo sapiens]" 96.60 253 99.30 100.00 1.97e-99 REF NP_001073592 "major prion protein preproprotein [Homo sapiens]" 96.60 253 99.30 100.00 1.97e-99 SP P04156 "RecName: Full=Major prion protein; Short=PrP; AltName: Full=ASCR; AltName: Full=PrP27-30; AltName: Full=PrP33-35C; AltName: CD_" 96.60 253 99.30 100.00 1.97e-99 SP P40252 "RecName: Full=Major prion protein; Short=PrP; AltName: Full=PrP27-30; AltName: Full=PrP33-35C; AltName: CD_antigen=CD230; Flags" 96.60 253 98.59 100.00 5.68e-99 SP P61766 "RecName: Full=Major prion protein; Short=PrP; AltName: Full=PrP27-30; AltName: Full=PrP33-35C; AltName: CD_antigen=CD230; Flags" 96.60 253 97.89 100.00 3.14e-98 SP P61767 "RecName: Full=Major prion protein; Short=PrP; AltName: Full=PrP27-30; AltName: Full=PrP33-35C; AltName: CD_antigen=CD230; Flags" 96.60 253 97.89 100.00 3.14e-98 SP P61768 "RecName: Full=Major prion protein; Short=PrP; AltName: Full=PrP27-30; AltName: Full=PrP33-35C; AltName: CD_antigen=CD230; Flags" 96.60 253 97.89 100.00 3.14e-98 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $V210I Humans 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 $V210I 'recombinant technology' . Escherichia coli . pProExHTa stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_v210i_pH7 _Saveframe_category sample _Sample_type solution _Details ; 20 mM Tris buffer 20 mM KCl pH 7.2 ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $V210I 0.6 mM '[U-100% 13C; U-100% 15N]' H2O 90 % 'natural abundance' D2O 10 % [U-2H] 'Tris buffer' 20 mM 'natural abundance' KCl 20 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Saveframe_category software _Name CYANA _Version 3.0 loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_YASARA _Saveframe_category software _Name YASARA _Version . loop_ _Vendor _Address _Electronic_address 'Elmar Krieger' . . stop_ loop_ _Task 'geometry optimization' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model VNMRS _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 $v210i_pH7 save_ save_2D_1H-15N_HSQC_NH2_only_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC NH2 only' _Sample_label $v210i_pH7 save_ save_2D_1H-13C_HSQC_aliphatic_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic' _Sample_label $v210i_pH7 save_ save_2D_1H-13C_HSQC_aromatic_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aromatic' _Sample_label $v210i_pH7 save_ save_3D_1H-13C_NOESY_aliphatic_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $v210i_pH7 save_ save_3D_CBCA(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $v210i_pH7 save_ save_3D_C(CO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $v210i_pH7 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details ; 20 mM Tris buffer 20 mM KCl pH 7.2 ; loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 20 . mM pH 7.2 . pH pressure 1 . atm temperature 273 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details 'Chemical shifts were referenced with respect to external 2,2-dimethyl-2-silapentane-5-sulfonate' 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 spherical 'separate tube (no insert) similar to the experimental sample tube' parallel 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct spherical 'separate tube (no insert) similar to the experimental sample tube' parallel 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect spherical 'separate tube (no insert) similar to the experimental sample tube' parallel 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC aliphatic' '2D 1H-13C HSQC aromatic' '3D 1H-13C NOESY aliphatic' stop_ loop_ _Sample_label $v210i_pH7 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name V210I _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 86 2 ALA HA H 4.292 0.020 1 2 86 2 ALA HB H 1.382 0.020 1 3 86 2 ALA CA C 52.577 0.400 1 4 86 2 ALA CB C 19.177 0.400 1 5 87 3 MET HA H 4.459 0.020 1 6 87 3 MET HB2 H 2.067 0.020 2 7 87 3 MET HB3 H 2.010 0.020 2 8 87 3 MET HG2 H 2.548 0.020 2 9 87 3 MET HG3 H 2.484 0.020 2 10 87 3 MET HE H 2.021 0.020 1 11 87 3 MET CA C 54.905 0.400 1 12 87 3 MET CB C 32.752 0.400 1 13 87 3 MET CG C 31.963 0.400 1 14 87 3 MET CE C 17.580 0.400 1 15 88 4 ASP H H 8.188 0.020 1 16 88 4 ASP HA H 4.849 0.020 1 17 88 4 ASP HB2 H 2.715 0.020 2 18 88 4 ASP HB3 H 2.579 0.020 2 19 88 4 ASP CA C 52.320 0.400 1 20 88 4 ASP CB C 41.132 0.400 1 21 88 4 ASP N N 123.115 0.400 1 22 89 5 PRO HA H 4.415 0.020 1 23 89 5 PRO HB2 H 2.278 0.020 2 24 89 5 PRO HB3 H 1.965 0.020 2 25 89 5 PRO HG2 H 2.019 0.020 1 26 89 5 PRO HG3 H 2.019 0.020 1 27 89 5 PRO HD2 H 3.783 0.020 1 28 89 5 PRO HD3 H 3.784 0.020 1 29 89 5 PRO CA C 63.742 0.400 1 30 89 5 PRO CB C 32.010 0.400 1 31 89 5 PRO CG C 27.187 0.400 1 32 89 5 PRO CD C 50.746 0.400 1 33 90 6 GLY H H 8.513 0.020 1 34 90 6 GLY HA2 H 3.933 0.020 1 35 90 6 GLY HA3 H 3.933 0.020 1 36 90 6 GLY CA C 45.226 0.400 1 37 90 6 GLY N N 108.596 0.400 1 38 91 7 GLN HA H 4.340 0.020 1 39 91 7 GLN HB2 H 2.177 0.020 2 40 91 7 GLN HB3 H 1.987 0.020 2 41 91 7 GLN HG2 H 2.408 0.020 2 42 91 7 GLN HG3 H 2.362 0.020 2 43 91 7 GLN CA C 55.832 0.400 1 44 91 7 GLN CB C 29.341 0.400 1 45 91 7 GLN CG C 33.740 0.400 1 46 92 8 GLY H H 8.470 0.020 1 47 92 8 GLY HA2 H 3.932 0.020 1 48 92 8 GLY HA3 H 3.932 0.020 1 49 92 8 GLY CA C 45.246 0.400 1 50 92 8 GLY N N 109.744 0.400 1 51 93 9 GLY H H 8.301 0.020 1 52 93 9 GLY HA2 H 3.965 0.020 2 53 93 9 GLY HA3 H 3.935 0.020 2 54 93 9 GLY CA C 45.241 0.400 1 55 93 9 GLY N N 108.729 0.400 1 56 94 10 GLY H H 8.306 0.020 1 57 94 10 GLY HA2 H 3.908 0.020 1 58 94 10 GLY HA3 H 3.908 0.020 1 59 94 10 GLY CA C 45.206 0.400 1 60 94 10 GLY N N 108.668 0.400 1 61 95 11 THR HA H 4.272 0.020 1 62 95 11 THR HB H 4.162 0.020 1 63 95 11 THR HG2 H 1.135 0.020 1 64 95 11 THR CA C 62.058 0.400 1 65 95 11 THR CB C 69.580 0.400 1 66 95 11 THR CG2 C 21.410 0.400 1 67 96 12 HIS HA H 4.636 0.020 1 68 96 12 HIS HB2 H 3.076 0.020 1 69 96 12 HIS HB3 H 3.076 0.020 1 70 96 12 HIS CA C 56.366 0.400 1 71 96 12 HIS CB C 30.923 0.400 1 72 97 13 SER HA H 4.352 0.020 1 73 97 13 SER HB2 H 3.805 0.020 2 74 97 13 SER HB3 H 3.743 0.020 2 75 97 13 SER CA C 58.382 0.400 1 76 97 13 SER CB C 63.578 0.400 1 77 98 14 GLN HA H 4.340 0.020 1 78 98 14 GLN HB2 H 1.941 0.020 2 79 98 14 GLN HB3 H 1.851 0.020 2 80 98 14 GLN HG2 H 2.118 0.020 1 81 98 14 GLN HG3 H 2.118 0.020 1 82 98 14 GLN CA C 55.859 0.400 1 83 98 14 GLN CB C 29.062 0.400 1 84 98 14 GLN CG C 33.491 0.400 1 85 99 15 TRP H H 7.974 0.020 1 86 99 15 TRP HA H 4.666 0.020 1 87 99 15 TRP HB2 H 3.314 0.020 2 88 99 15 TRP HB3 H 3.197 0.020 2 89 99 15 TRP HD1 H 7.236 0.020 1 90 99 15 TRP HE1 H 10.105 0.020 1 91 99 15 TRP HE3 H 7.598 0.020 1 92 99 15 TRP HZ2 H 7.459 0.020 1 93 99 15 TRP HZ3 H 7.129 0.020 1 94 99 15 TRP HH2 H 7.216 0.020 1 95 99 15 TRP CA C 57.109 0.400 1 96 99 15 TRP CB C 29.343 0.400 1 97 99 15 TRP CD1 C 123.999 0.400 1 98 99 15 TRP CE3 C 117.891 0.400 1 99 99 15 TRP CZ2 C 111.574 0.400 1 100 99 15 TRP CZ3 C 119.041 0.400 1 101 99 15 TRP CH2 C 121.681 0.400 1 102 99 15 TRP N N 120.904 0.400 1 103 99 15 TRP NE1 N 129.353 0.400 1 104 100 16 ASN HA H 4.603 0.020 1 105 100 16 ASN HB2 H 2.549 0.020 2 106 100 16 ASN HB3 H 2.519 0.020 2 107 100 16 ASN HD21 H 7.423 0.020 2 108 100 16 ASN HD22 H 6.804 0.020 2 109 100 16 ASN CA C 52.732 0.400 1 110 100 16 ASN CB C 38.611 0.400 1 111 100 16 ASN ND2 N 112.325 0.400 1 112 101 17 LYS H H 7.921 0.020 1 113 101 17 LYS HA H 4.521 0.020 1 114 101 17 LYS HB2 H 1.727 0.020 2 115 101 17 LYS HB3 H 1.643 0.020 2 116 101 17 LYS HG2 H 1.396 0.020 1 117 101 17 LYS HG3 H 1.396 0.020 1 118 101 17 LYS HD2 H 1.683 0.020 2 119 101 17 LYS HD3 H 1.617 0.020 2 120 101 17 LYS CA C 54.191 0.400 1 121 101 17 LYS CB C 32.523 0.400 1 122 101 17 LYS CG C 24.711 0.400 1 123 101 17 LYS CD C 28.942 0.400 1 124 101 17 LYS N N 122.344 0.400 1 125 102 18 PRO HA H 4.435 0.020 1 126 102 18 PRO HB2 H 2.282 0.020 2 127 102 18 PRO HB3 H 1.960 0.020 2 128 102 18 PRO HG2 H 2.018 0.020 1 129 102 18 PRO HG3 H 2.018 0.020 1 130 102 18 PRO HD2 H 3.778 0.020 2 131 102 18 PRO HD3 H 3.624 0.020 2 132 102 18 PRO CA C 63.169 0.400 1 133 102 18 PRO CB C 32.126 0.400 1 134 102 18 PRO CG C 27.317 0.400 1 135 102 18 PRO CD C 50.664 0.400 1 136 103 19 SER H H 8.508 0.020 1 137 103 19 SER HA H 4.419 0.020 1 138 103 19 SER HB2 H 3.838 0.020 1 139 103 19 SER HB3 H 3.838 0.020 1 140 103 19 SER CA C 58.185 0.400 1 141 103 19 SER CB C 63.871 0.400 1 142 103 19 SER N N 117.091 0.400 1 143 104 20 LYS HA H 4.626 0.020 1 144 104 20 LYS HB2 H 1.769 0.020 2 145 104 20 LYS HB3 H 1.731 0.020 2 146 104 20 LYS HG2 H 1.490 0.020 1 147 104 20 LYS HG3 H 1.490 0.020 1 148 104 20 LYS HD2 H 1.683 0.020 1 149 104 20 LYS HD3 H 1.683 0.020 1 150 104 20 LYS HE2 H 2.983 0.020 1 151 104 20 LYS HE3 H 2.983 0.020 1 152 104 20 LYS CA C 54.138 0.400 1 153 104 20 LYS CB C 32.941 0.400 1 154 104 20 LYS CG C 24.978 0.400 1 155 104 20 LYS CD C 29.086 0.400 1 156 104 20 LYS CE C 41.822 0.400 1 157 105 21 PRO HA H 4.407 0.020 1 158 105 21 PRO HB2 H 2.282 0.020 2 159 105 21 PRO HB3 H 1.958 0.020 2 160 105 21 PRO HG2 H 2.017 0.020 1 161 105 21 PRO HG3 H 2.017 0.020 1 162 105 21 PRO HD2 H 3.866 0.020 2 163 105 21 PRO HD3 H 3.623 0.020 2 164 105 21 PRO CA C 63.012 0.400 1 165 105 21 PRO CB C 32.182 0.400 1 166 105 21 PRO CG C 27.352 0.400 1 167 105 21 PRO CD C 50.776 0.400 1 168 106 22 LYS HA H 4.402 0.020 1 169 106 22 LYS HB2 H 1.940 0.020 2 170 106 22 LYS HB3 H 1.747 0.020 2 171 106 22 LYS HG2 H 1.523 0.020 2 172 106 22 LYS HG3 H 1.472 0.020 2 173 106 22 LYS HD2 H 1.683 0.020 1 174 106 22 LYS HD3 H 1.683 0.020 1 175 106 22 LYS HE2 H 2.960 0.020 1 176 106 22 LYS HE3 H 2.960 0.020 1 177 106 22 LYS CA C 56.225 0.400 1 178 106 22 LYS CB C 32.965 0.400 1 179 106 22 LYS CG C 24.816 0.400 1 180 106 22 LYS CD C 29.042 0.400 1 181 106 22 LYS CE C 41.863 0.400 1 182 107 23 THR HA H 4.328 0.020 1 183 107 23 THR HB H 4.225 0.020 1 184 107 23 THR HG2 H 1.185 0.020 1 185 107 23 THR CA C 61.562 0.400 1 186 107 23 THR CB C 69.831 0.400 1 187 107 23 THR CG2 C 21.479 0.400 1 188 108 24 ASN HB2 H 2.841 0.020 2 189 108 24 ASN HB3 H 2.753 0.020 2 190 108 24 ASN CB C 38.867 0.400 1 191 109 25 MET HA H 4.445 0.020 1 192 109 25 MET HB2 H 2.010 0.020 2 193 109 25 MET HB3 H 1.941 0.020 2 194 109 25 MET HG2 H 2.549 0.020 2 195 109 25 MET HG3 H 2.483 0.020 2 196 109 25 MET HE H 2.069 0.020 1 197 109 25 MET CA C 55.458 0.400 1 198 109 25 MET CB C 32.799 0.400 1 199 109 25 MET CG C 31.860 0.400 1 200 109 25 MET CE C 16.874 0.400 1 201 110 26 LYS HA H 4.245 0.020 1 202 110 26 LYS HB2 H 1.769 0.020 2 203 110 26 LYS HB3 H 1.731 0.020 2 204 110 26 LYS HG2 H 1.337 0.020 2 205 110 26 LYS HG3 H 1.395 0.020 2 206 110 26 LYS HD2 H 1.683 0.020 1 207 110 26 LYS HD3 H 1.683 0.020 1 208 110 26 LYS HE2 H 2.960 0.020 1 209 110 26 LYS HE3 H 2.960 0.020 1 210 110 26 LYS CA C 56.242 0.400 1 211 110 26 LYS CB C 32.970 0.400 1 212 110 26 LYS CG C 24.743 0.400 1 213 110 26 LYS CD C 28.972 0.400 1 214 110 26 LYS CE C 41.926 0.400 1 215 111 27 HIS HA H 4.596 0.020 1 216 111 27 HIS HB2 H 3.076 0.020 1 217 111 27 HIS HB3 H 3.076 0.020 1 218 111 27 HIS CA C 56.193 0.400 1 219 111 27 HIS CB C 30.985 0.400 1 220 112 28 MET HA H 4.460 0.020 1 221 112 28 MET HB2 H 2.061 0.020 2 222 112 28 MET HB3 H 1.942 0.020 2 223 112 28 MET HG2 H 2.548 0.020 2 224 112 28 MET HG3 H 2.484 0.020 2 225 112 28 MET HE H 2.069 0.020 1 226 112 28 MET CA C 54.946 0.400 1 227 112 28 MET CB C 32.856 0.400 1 228 112 28 MET CG C 31.905 0.400 1 229 112 28 MET CE C 16.890 0.400 1 230 113 29 ALA H H 8.280 0.020 1 231 113 29 ALA HA H 4.292 0.020 1 232 113 29 ALA HB H 1.383 0.020 1 233 113 29 ALA CA C 52.773 0.400 1 234 113 29 ALA CB C 19.214 0.400 1 235 113 29 ALA N N 125.154 0.400 1 236 114 30 GLY H H 8.246 0.020 1 237 114 30 GLY HA2 H 3.941 0.020 2 238 114 30 GLY HA3 H 3.927 0.020 2 239 114 30 GLY CA C 45.201 0.400 1 240 114 30 GLY N N 107.811 0.400 1 241 115 31 ALA H H 8.101 0.020 1 242 115 31 ALA HA H 4.285 0.020 1 243 115 31 ALA HB H 1.382 0.020 1 244 115 31 ALA CA C 52.343 0.400 1 245 115 31 ALA CB C 19.311 0.400 1 246 115 31 ALA N N 123.785 0.400 1 247 116 32 ALA H H 8.136 0.020 1 248 116 32 ALA HA H 4.273 0.020 1 249 116 32 ALA HB H 1.380 0.020 1 250 116 32 ALA CA C 52.299 0.400 1 251 116 32 ALA CB C 19.062 0.400 1 252 116 32 ALA N N 123.022 0.400 1 253 117 33 ALA H H 8.183 0.020 1 254 117 33 ALA HA H 4.271 0.020 1 255 117 33 ALA HB H 1.369 0.020 1 256 117 33 ALA CA C 52.387 0.400 1 257 117 33 ALA CB C 19.153 0.400 1 258 117 33 ALA N N 123.066 0.400 1 259 118 34 ALA H H 8.238 0.020 1 260 118 34 ALA HA H 4.292 0.020 1 261 118 34 ALA HB H 1.369 0.020 1 262 118 34 ALA CA C 52.501 0.400 1 263 118 34 ALA CB C 19.191 0.400 1 264 118 34 ALA N N 122.887 0.400 1 265 119 35 GLY H H 8.362 0.020 1 266 119 35 GLY HA2 H 3.941 0.020 2 267 119 35 GLY HA3 H 3.928 0.020 2 268 119 35 GLY CA C 45.213 0.400 1 269 119 35 GLY N N 108.369 0.400 1 270 120 36 ALA H H 8.035 0.020 1 271 120 36 ALA HA H 4.371 0.020 1 272 120 36 ALA HB H 1.355 0.020 1 273 120 36 ALA CA C 52.221 0.400 1 274 120 36 ALA CB C 19.494 0.400 1 275 120 36 ALA N N 123.469 0.400 1 276 121 37 VAL H H 8.182 0.020 1 277 121 37 VAL HA H 4.139 0.020 1 278 121 37 VAL HB H 2.005 0.020 1 279 121 37 VAL HG1 H 0.894 0.020 2 280 121 37 VAL HG2 H 0.849 0.020 2 281 121 37 VAL CA C 62.109 0.400 1 282 121 37 VAL CB C 32.603 0.400 1 283 121 37 VAL CG1 C 20.706 0.400 1 284 121 37 VAL CG2 C 21.179 0.400 1 285 121 37 VAL N N 120.037 0.400 1 286 122 38 VAL H H 8.241 0.020 1 287 122 38 VAL HA H 4.086 0.020 1 288 122 38 VAL HB H 1.996 0.020 1 289 122 38 VAL HG1 H 0.849 0.020 2 290 122 38 VAL HG2 H 0.894 0.020 2 291 122 38 VAL CA C 62.394 0.400 1 292 122 38 VAL CB C 32.547 0.400 1 293 122 38 VAL CG1 C 21.197 0.400 1 294 122 38 VAL CG2 C 20.677 0.400 1 295 122 38 VAL N N 124.518 0.400 1 296 123 39 GLY H H 8.542 0.020 1 297 123 39 GLY HA2 H 3.914 0.020 1 298 123 39 GLY HA3 H 3.914 0.020 1 299 123 39 GLY CA C 45.312 0.400 1 300 123 39 GLY N N 113.285 0.400 1 301 124 40 GLY H H 8.243 0.020 1 302 124 40 GLY HA2 H 3.941 0.020 2 303 124 40 GLY HA3 H 3.928 0.020 2 304 124 40 GLY CA C 45.219 0.400 1 305 124 40 GLY N N 108.427 0.400 1 306 125 41 LEU H H 8.188 0.020 1 307 125 41 LEU HA H 4.365 0.020 1 308 125 41 LEU HB2 H 1.544 0.020 2 309 125 41 LEU HB3 H 1.619 0.020 2 310 125 41 LEU HG H 1.499 0.020 1 311 125 41 LEU HD1 H 0.682 0.020 2 312 125 41 LEU HD2 H 0.578 0.020 2 313 125 41 LEU CA C 54.844 0.400 1 314 125 41 LEU CB C 42.499 0.400 1 315 125 41 LEU CG C 26.898 0.400 1 316 125 41 LEU CD1 C 24.649 0.400 1 317 125 41 LEU CD2 C 23.493 0.400 1 318 125 41 LEU N N 121.751 0.400 1 319 126 42 GLY H H 8.494 0.020 1 320 126 42 GLY HA2 H 3.936 0.020 2 321 126 42 GLY HA3 H 3.849 0.020 2 322 126 42 GLY CA C 46.036 0.400 1 323 126 42 GLY N N 109.761 0.400 1 324 127 43 GLY H H 8.325 0.020 1 325 127 43 GLY HA2 H 3.739 0.020 2 326 127 43 GLY HA3 H 3.935 0.020 2 327 127 43 GLY CA C 45.037 0.400 1 328 127 43 GLY N N 109.114 0.400 1 329 128 44 TYR H H 7.708 0.020 1 330 128 44 TYR HA H 4.501 0.020 1 331 128 44 TYR HB2 H 2.842 0.020 2 332 128 44 TYR HB3 H 2.882 0.020 2 333 128 44 TYR HD1 H 6.809 0.020 1 334 128 44 TYR HD2 H 6.809 0.020 1 335 128 44 TYR HE1 H 6.663 0.020 1 336 128 44 TYR HE2 H 6.663 0.020 1 337 128 44 TYR CA C 58.003 0.400 1 338 128 44 TYR CB C 40.231 0.400 1 339 128 44 TYR CD1 C 129.794 0.400 1 340 128 44 TYR CD2 C 129.794 0.400 1 341 128 44 TYR CE1 C 115.071 0.400 1 342 128 44 TYR CE2 C 115.071 0.400 1 343 128 44 TYR N N 117.522 0.400 1 344 129 45 MET H H 8.993 0.020 1 345 129 45 MET HA H 4.540 0.020 1 346 129 45 MET HB2 H 1.554 0.020 2 347 129 45 MET HB3 H 0.899 0.020 2 348 129 45 MET HG2 H 2.283 0.020 2 349 129 45 MET HG3 H 2.220 0.020 2 350 129 45 MET HE H 2.005 0.020 1 351 129 45 MET CA C 53.518 0.400 1 352 129 45 MET CB C 34.623 0.400 1 353 129 45 MET CG C 32.102 0.400 1 354 129 45 MET CE C 17.165 0.400 1 355 129 45 MET N N 120.868 0.400 1 356 130 46 LEU H H 8.034 0.020 1 357 130 46 LEU HA H 4.487 0.020 1 358 130 46 LEU HB2 H 1.605 0.020 2 359 130 46 LEU HB3 H 0.963 0.020 2 360 130 46 LEU HG H 1.372 0.020 1 361 130 46 LEU HD1 H -0.028 0.020 2 362 130 46 LEU HD2 H 0.614 0.020 2 363 130 46 LEU CA C 53.238 0.400 1 364 130 46 LEU CB C 43.605 0.400 1 365 130 46 LEU CG C 25.942 0.400 1 366 130 46 LEU CD1 C 21.614 0.400 1 367 130 46 LEU CD2 C 25.767 0.400 1 368 130 46 LEU N N 121.378 0.400 1 369 131 47 GLY H H 9.364 0.020 1 370 131 47 GLY HA2 H 4.422 0.020 2 371 131 47 GLY HA3 H 4.010 0.020 2 372 131 47 GLY CA C 44.773 0.400 1 373 131 47 GLY N N 115.027 0.400 1 374 132 48 SER H H 8.363 0.020 1 375 132 48 SER HA H 4.407 0.020 1 376 132 48 SER HB2 H 3.968 0.020 2 377 132 48 SER HB3 H 3.868 0.020 2 378 132 48 SER CA C 58.388 0.400 1 379 132 48 SER CB C 63.928 0.400 1 380 132 48 SER N N 113.589 0.400 1 381 133 49 ALA H H 8.746 0.020 1 382 133 49 ALA HA H 4.429 0.020 1 383 133 49 ALA HB H 1.277 0.020 1 384 133 49 ALA CA C 52.926 0.400 1 385 133 49 ALA CB C 18.463 0.400 1 386 133 49 ALA N N 125.588 0.400 1 387 134 50 MET H H 8.700 0.020 1 388 134 50 MET HA H 4.743 0.020 1 389 134 50 MET HB2 H 2.044 0.020 2 390 134 50 MET HB3 H 1.992 0.020 2 391 134 50 MET HG2 H 2.468 0.020 2 392 134 50 MET HG3 H 2.422 0.020 2 393 134 50 MET HE H 2.154 0.020 1 394 134 50 MET CA C 54.131 0.400 1 395 134 50 MET CB C 36.831 0.400 1 396 134 50 MET CG C 31.017 0.400 1 397 134 50 MET CE C 17.633 0.400 1 398 134 50 MET N N 120.790 0.400 1 399 135 51 SER H H 8.406 0.020 1 400 135 51 SER HA H 4.352 0.020 1 401 135 51 SER HB2 H 3.821 0.020 2 402 135 51 SER HB3 H 3.735 0.020 2 403 135 51 SER CA C 58.456 0.400 1 404 135 51 SER CB C 62.976 0.400 1 405 135 51 SER N N 116.260 0.400 1 406 136 52 ARG H H 8.634 0.020 1 407 136 52 ARG HA H 4.375 0.020 1 408 136 52 ARG HB2 H 1.682 0.020 2 409 136 52 ARG HB3 H 1.630 0.020 2 410 136 52 ARG HG2 H 1.896 0.020 1 411 136 52 ARG HG3 H 1.896 0.020 1 412 136 52 ARG HD2 H 3.162 0.020 2 413 136 52 ARG HD3 H 3.127 0.020 2 414 136 52 ARG CA C 54.781 0.400 1 415 136 52 ARG CB C 29.279 0.400 1 416 136 52 ARG CG C 28.447 0.400 1 417 136 52 ARG CD C 43.400 0.400 1 418 136 52 ARG N N 126.576 0.400 1 419 137 53 PRO HA H 4.418 0.020 1 420 137 53 PRO HB2 H 1.727 0.020 2 421 137 53 PRO HB3 H 2.225 0.020 2 422 137 53 PRO HG2 H 2.018 0.020 1 423 137 53 PRO HG3 H 2.018 0.020 1 424 137 53 PRO HD2 H 3.940 0.020 1 425 137 53 PRO HD3 H 3.940 0.020 1 426 137 53 PRO CA C 62.392 0.400 1 427 137 53 PRO CB C 32.281 0.400 1 428 137 53 PRO CG C 27.283 0.400 1 429 137 53 PRO CD C 50.702 0.400 1 430 138 54 ILE H H 8.588 0.020 1 431 138 54 ILE HA H 4.159 0.020 1 432 138 54 ILE HB H 1.909 0.020 1 433 138 54 ILE HG12 H 1.586 0.020 2 434 138 54 ILE HG13 H 1.374 0.020 2 435 138 54 ILE HG2 H 0.751 0.020 1 436 138 54 ILE HD1 H 0.898 0.020 1 437 138 54 ILE CA C 60.866 0.400 1 438 138 54 ILE CB C 36.183 0.400 1 439 138 54 ILE CG1 C 27.215 0.400 1 440 138 54 ILE CG2 C 17.424 0.400 1 441 138 54 ILE CD1 C 11.373 0.400 1 442 138 54 ILE N N 122.634 0.400 1 443 139 55 ILE H H 6.529 0.020 1 444 139 55 ILE HA H 3.942 0.020 1 445 139 55 ILE HB H 0.925 0.020 1 446 139 55 ILE HG12 H 0.868 0.020 2 447 139 55 ILE HG13 H 0.751 0.020 2 448 139 55 ILE HG2 H -0.018 0.020 1 449 139 55 ILE HD1 H 0.458 0.020 1 450 139 55 ILE CA C 58.624 0.400 1 451 139 55 ILE CB C 39.345 0.400 1 452 139 55 ILE CG1 C 26.540 0.400 1 453 139 55 ILE CG2 C 17.122 0.400 1 454 139 55 ILE CD1 C 12.566 0.400 1 455 139 55 ILE N N 126.544 0.400 1 456 140 56 HIS H H 8.106 0.020 1 457 140 56 HIS HA H 4.739 0.020 1 458 140 56 HIS HB2 H 3.149 0.020 2 459 140 56 HIS HB3 H 3.061 0.020 2 460 140 56 HIS HD2 H 7.018 0.020 1 461 140 56 HIS CA C 54.900 0.400 1 462 140 56 HIS CB C 30.445 0.400 1 463 140 56 HIS CD2 C 116.587 0.400 1 464 140 56 HIS N N 123.120 0.400 1 465 141 57 PHE H H 10.142 0.020 1 466 141 57 PHE HA H 4.318 0.020 1 467 141 57 PHE HB2 H 2.831 0.020 2 468 141 57 PHE HB3 H 2.722 0.020 2 469 141 57 PHE HD1 H 7.333 0.020 1 470 141 57 PHE HD2 H 7.333 0.020 1 471 141 57 PHE HE1 H 6.898 0.020 1 472 141 57 PHE HE2 H 6.898 0.020 1 473 141 57 PHE HZ H 6.736 0.020 1 474 141 57 PHE CA C 59.391 0.400 1 475 141 57 PHE CB C 41.355 0.400 1 476 141 57 PHE CD1 C 128.520 0.400 1 477 141 57 PHE CD2 C 128.520 0.400 1 478 141 57 PHE CE1 C 128.453 0.400 1 479 141 57 PHE CE2 C 128.453 0.400 1 480 141 57 PHE CZ C 126.128 0.400 1 481 141 57 PHE N N 124.586 0.400 1 482 142 58 GLY H H 8.912 0.020 1 483 142 58 GLY HA2 H 4.144 0.020 2 484 142 58 GLY HA3 H 3.816 0.020 2 485 142 58 GLY CA C 45.584 0.400 1 486 142 58 GLY N N 108.501 0.400 1 487 143 59 SER H H 7.304 0.020 1 488 143 59 SER HA H 4.809 0.020 1 489 143 59 SER HB2 H 3.892 0.020 2 490 143 59 SER HB3 H 4.103 0.020 2 491 143 59 SER CA C 56.577 0.400 1 492 143 59 SER CB C 65.927 0.400 1 493 143 59 SER N N 111.872 0.400 1 494 144 60 ASP H H 8.983 0.020 1 495 144 60 ASP HA H 4.496 0.020 1 496 144 60 ASP HB2 H 2.857 0.020 1 497 144 60 ASP HB3 H 2.857 0.020 1 498 144 60 ASP CA C 57.505 0.400 1 499 144 60 ASP CB C 40.588 0.400 1 500 144 60 ASP N N 124.502 0.400 1 501 145 61 TYR H H 8.547 0.020 1 502 145 61 TYR HA H 4.197 0.020 1 503 145 61 TYR HB2 H 3.251 0.020 2 504 145 61 TYR HB3 H 2.837 0.020 2 505 145 61 TYR HD1 H 7.051 0.020 1 506 145 61 TYR HD2 H 7.051 0.020 1 507 145 61 TYR HE1 H 6.864 0.020 1 508 145 61 TYR HE2 H 6.864 0.020 1 509 145 61 TYR CA C 61.308 0.400 1 510 145 61 TYR CB C 38.059 0.400 1 511 145 61 TYR CD1 C 130.344 0.400 1 512 145 61 TYR CD2 C 130.344 0.400 1 513 145 61 TYR CE1 C 115.331 0.400 1 514 145 61 TYR CE2 C 115.331 0.400 1 515 145 61 TYR N N 118.847 0.400 1 516 146 62 GLU H H 7.762 0.020 1 517 146 62 GLU HA H 3.532 0.020 1 518 146 62 GLU HB2 H 1.512 0.020 2 519 146 62 GLU HB3 H 1.951 0.020 2 520 146 62 GLU HG2 H 2.206 0.020 2 521 146 62 GLU HG3 H 1.893 0.020 2 522 146 62 GLU CA C 59.915 0.400 1 523 146 62 GLU CB C 30.230 0.400 1 524 146 62 GLU CG C 38.362 0.400 1 525 146 62 GLU N N 119.195 0.400 1 526 147 63 ASP H H 8.141 0.020 1 527 147 63 ASP HA H 4.500 0.020 1 528 147 63 ASP HB2 H 2.746 0.020 2 529 147 63 ASP HB3 H 2.908 0.020 2 530 147 63 ASP CA C 58.327 0.400 1 531 147 63 ASP CB C 40.726 0.400 1 532 147 63 ASP N N 119.225 0.400 1 533 148 64 ARG H H 8.117 0.020 1 534 148 64 ARG HA H 3.995 0.020 1 535 148 64 ARG HB2 H 1.900 0.020 1 536 148 64 ARG HB3 H 1.900 0.020 1 537 148 64 ARG HG2 H 1.721 0.020 2 538 148 64 ARG HG3 H 1.520 0.020 2 539 148 64 ARG HD2 H 3.212 0.020 1 540 148 64 ARG HD3 H 3.212 0.020 1 541 148 64 ARG CA C 59.416 0.400 1 542 148 64 ARG CB C 29.796 0.400 1 543 148 64 ARG CG C 27.689 0.400 1 544 148 64 ARG CD C 43.505 0.400 1 545 148 64 ARG N N 119.927 0.400 1 546 149 65 TYR H H 8.324 0.020 1 547 149 65 TYR HA H 3.802 0.020 1 548 149 65 TYR HB2 H 2.586 0.020 2 549 149 65 TYR HB3 H 2.843 0.020 2 550 149 65 TYR HD1 H 6.931 0.020 1 551 149 65 TYR HD2 H 6.931 0.020 1 552 149 65 TYR HE1 H 6.865 0.020 1 553 149 65 TYR HE2 H 6.865 0.020 1 554 149 65 TYR CA C 62.127 0.400 1 555 149 65 TYR CB C 38.062 0.400 1 556 149 65 TYR CD1 C 130.434 0.400 1 557 149 65 TYR CD2 C 130.434 0.400 1 558 149 65 TYR CE1 C 115.054 0.400 1 559 149 65 TYR CE2 C 115.054 0.400 1 560 149 65 TYR N N 120.878 0.400 1 561 150 66 TYR H H 8.927 0.020 1 562 150 66 TYR HA H 4.137 0.020 1 563 150 66 TYR HB2 H 3.558 0.020 2 564 150 66 TYR HB3 H 3.183 0.020 2 565 150 66 TYR HD1 H 7.529 0.020 1 566 150 66 TYR HD2 H 7.529 0.020 1 567 150 66 TYR HE1 H 6.865 0.020 1 568 150 66 TYR HE2 H 6.865 0.020 1 569 150 66 TYR CA C 62.880 0.400 1 570 150 66 TYR CB C 38.154 0.400 1 571 150 66 TYR CD1 C 130.462 0.400 1 572 150 66 TYR CD2 C 130.462 0.400 1 573 150 66 TYR CE1 C 115.073 0.400 1 574 150 66 TYR CE2 C 115.073 0.400 1 575 150 66 TYR N N 120.238 0.400 1 576 151 67 ARG H H 7.890 0.020 1 577 151 67 ARG HA H 3.953 0.020 1 578 151 67 ARG HB2 H 1.900 0.020 2 579 151 67 ARG HB3 H 2.066 0.020 2 580 151 67 ARG HG2 H 2.024 0.020 2 581 151 67 ARG HG3 H 1.773 0.020 2 582 151 67 ARG HD2 H 3.281 0.020 2 583 151 67 ARG HD3 H 3.211 0.020 2 584 151 67 ARG CA C 59.731 0.400 1 585 151 67 ARG CB C 29.734 0.400 1 586 151 67 ARG CG C 28.243 0.400 1 587 151 67 ARG CD C 43.299 0.400 1 588 151 67 ARG N N 117.737 0.400 1 589 152 68 GLU H H 8.038 0.020 1 590 152 68 GLU HA H 4.070 0.020 1 591 152 68 GLU HB2 H 1.853 0.020 2 592 152 68 GLU HB3 H 1.891 0.020 2 593 152 68 GLU HG2 H 2.466 0.020 2 594 152 68 GLU HG3 H 2.187 0.020 2 595 152 68 GLU CA C 57.858 0.400 1 596 152 68 GLU CB C 30.086 0.400 1 597 152 68 GLU CG C 36.898 0.400 1 598 152 68 GLU N N 116.133 0.400 1 599 153 69 ASN H H 7.481 0.020 1 600 153 69 ASN HA H 4.460 0.020 1 601 153 69 ASN HB2 H 2.194 0.020 2 602 153 69 ASN HB3 H 2.150 0.020 2 603 153 69 ASN HD21 H 6.871 0.020 2 604 153 69 ASN HD22 H 6.515 0.020 2 605 153 69 ASN CA C 54.863 0.400 1 606 153 69 ASN CB C 41.364 0.400 1 607 153 69 ASN N N 114.723 0.400 1 608 153 69 ASN ND2 N 117.178 0.400 1 609 154 70 MET H H 7.935 0.020 1 610 154 70 MET HA H 3.433 0.020 1 611 154 70 MET HB2 H 1.338 0.020 2 612 154 70 MET HB3 H 1.661 0.020 2 613 154 70 MET HG2 H 2.175 0.020 2 614 154 70 MET HG3 H 2.553 0.020 2 615 154 70 MET HE H 2.021 0.020 1 616 154 70 MET CA C 59.077 0.400 1 617 154 70 MET CB C 30.206 0.400 1 618 154 70 MET CG C 30.325 0.400 1 619 154 70 MET CE C 17.561 0.400 1 620 154 70 MET N N 118.636 0.400 1 621 155 71 HIS H H 7.908 0.020 1 622 155 71 HIS HA H 4.204 0.020 1 623 155 71 HIS HB2 H 3.135 0.020 2 624 155 71 HIS HB3 H 2.905 0.020 2 625 155 71 HIS HD2 H 7.017 0.020 1 626 155 71 HIS CA C 57.932 0.400 1 627 155 71 HIS CB C 29.133 0.400 1 628 155 71 HIS CD2 C 116.720 0.400 1 629 155 71 HIS N N 116.428 0.400 1 630 156 72 ARG H H 7.411 0.020 1 631 156 72 ARG HB2 H 1.340 0.020 2 632 156 72 ARG HB3 H 2.101 0.020 2 633 156 72 ARG HG2 H 1.298 0.020 2 634 156 72 ARG HG3 H 0.238 0.020 2 635 156 72 ARG HD2 H 3.253 0.020 2 636 156 72 ARG HD3 H 3.085 0.020 2 637 156 72 ARG CB C 30.379 0.400 1 638 156 72 ARG CG C 27.086 0.400 1 639 156 72 ARG CD C 44.157 0.400 1 640 156 72 ARG N N 119.338 0.400 1 641 157 73 TYR H H 7.388 0.020 1 642 157 73 TYR HA H 4.999 0.020 1 643 157 73 TYR HB2 H 3.104 0.020 2 644 157 73 TYR HB3 H 3.128 0.020 2 645 157 73 TYR HD1 H 6.900 0.020 1 646 157 73 TYR HD2 H 6.900 0.020 1 647 157 73 TYR HE1 H 6.566 0.020 1 648 157 73 TYR HE2 H 6.566 0.020 1 649 157 73 TYR CA C 52.354 0.400 1 650 157 73 TYR CB C 35.040 0.400 1 651 157 73 TYR CD1 C 128.379 0.400 1 652 157 73 TYR CD2 C 128.379 0.400 1 653 157 73 TYR CE1 C 113.923 0.400 1 654 157 73 TYR CE2 C 113.923 0.400 1 655 157 73 TYR N N 121.435 0.400 1 656 158 74 PRO HA H 4.444 0.020 1 657 158 74 PRO HB2 H 1.728 0.020 2 658 158 74 PRO HB3 H 2.011 0.020 2 659 158 74 PRO HG2 H 1.588 0.020 2 660 158 74 PRO HG3 H 1.201 0.020 2 661 158 74 PRO HD2 H 2.944 0.020 2 662 158 74 PRO HD3 H 3.098 0.020 2 663 158 74 PRO CA C 63.559 0.400 1 664 158 74 PRO CB C 32.471 0.400 1 665 158 74 PRO CG C 27.351 0.400 1 666 158 74 PRO CD C 49.511 0.400 1 667 159 75 ASN H H 8.513 0.020 1 668 159 75 ASN HA H 4.710 0.020 1 669 159 75 ASN HB2 H 2.428 0.020 1 670 159 75 ASN HB3 H 2.428 0.020 1 671 159 75 ASN HD21 H 7.448 0.020 2 672 159 75 ASN HD22 H 6.747 0.020 2 673 159 75 ASN CA C 51.851 0.400 1 674 159 75 ASN CB C 38.184 0.400 1 675 159 75 ASN N N 115.823 0.400 1 676 159 75 ASN ND2 N 109.114 0.400 1 677 160 76 GLN H H 7.215 0.020 1 678 160 76 GLN HA H 4.465 0.020 1 679 160 76 GLN HB2 H 1.696 0.020 2 680 160 76 GLN HB3 H 1.977 0.020 2 681 160 76 GLN HG2 H 2.152 0.020 2 682 160 76 GLN HG3 H 2.032 0.020 2 683 160 76 GLN HE21 H 7.909 0.020 2 684 160 76 GLN HE22 H 6.924 0.020 2 685 160 76 GLN CA C 54.135 0.400 1 686 160 76 GLN CB C 33.598 0.400 1 687 160 76 GLN CG C 34.047 0.400 1 688 160 76 GLN N N 113.920 0.400 1 689 160 76 GLN NE2 N 112.505 0.400 1 690 161 77 VAL H H 8.453 0.020 1 691 161 77 VAL HA H 4.900 0.020 1 692 161 77 VAL HB H 2.615 0.020 1 693 161 77 VAL HG1 H 0.938 0.020 2 694 161 77 VAL HG2 H 0.753 0.020 2 695 161 77 VAL CA C 58.597 0.400 1 696 161 77 VAL CB C 33.831 0.400 1 697 161 77 VAL CG1 C 23.615 0.400 1 698 161 77 VAL CG2 C 18.407 0.400 1 699 161 77 VAL N N 112.378 0.400 1 700 162 78 TYR H H 8.473 0.020 1 701 162 78 TYR HA H 5.541 0.020 1 702 162 78 TYR HB2 H 2.628 0.020 2 703 162 78 TYR HB3 H 2.535 0.020 2 704 162 78 TYR HD1 H 6.907 0.020 1 705 162 78 TYR HD2 H 6.907 0.020 1 706 162 78 TYR HE1 H 6.757 0.020 1 707 162 78 TYR HE2 H 6.757 0.020 1 708 162 78 TYR CA C 56.946 0.400 1 709 162 78 TYR CB C 42.010 0.400 1 710 162 78 TYR CD1 C 130.154 0.400 1 711 162 78 TYR CD2 C 130.154 0.400 1 712 162 78 TYR CE1 C 114.996 0.400 1 713 162 78 TYR CE2 C 114.996 0.400 1 714 162 78 TYR N N 121.279 0.400 1 715 163 79 TYR H H 8.555 0.020 1 716 163 79 TYR HA H 4.741 0.020 1 717 163 79 TYR HB2 H 2.874 0.020 2 718 163 79 TYR HB3 H 2.849 0.020 2 719 163 79 TYR HD1 H 6.924 0.020 1 720 163 79 TYR HD2 H 6.924 0.020 1 721 163 79 TYR HE1 H 6.458 0.020 1 722 163 79 TYR HE2 H 6.458 0.020 1 723 163 79 TYR CA C 56.261 0.400 1 724 163 79 TYR CB C 40.258 0.400 1 725 163 79 TYR CD1 C 130.197 0.400 1 726 163 79 TYR CD2 C 130.197 0.400 1 727 163 79 TYR CE1 C 114.826 0.400 1 728 163 79 TYR CE2 C 114.826 0.400 1 729 163 79 TYR N N 110.934 0.400 1 730 165 81 PRO HA H 4.518 0.020 1 731 165 81 PRO HB2 H 2.481 0.020 2 732 165 81 PRO HB3 H 1.769 0.020 2 733 165 81 PRO HG2 H 1.915 0.020 2 734 165 81 PRO HG3 H 2.024 0.020 2 735 165 81 PRO HD2 H 3.533 0.020 2 736 165 81 PRO HD3 H 3.623 0.020 2 737 165 81 PRO CA C 63.098 0.400 1 738 165 81 PRO CB C 32.386 0.400 1 739 165 81 PRO CG C 27.976 0.400 1 740 165 81 PRO CD C 50.609 0.400 1 741 166 82 MET H H 8.979 0.020 1 742 166 82 MET HA H 4.434 0.020 1 743 166 82 MET HB2 H 2.309 0.020 2 744 166 82 MET HB3 H 2.264 0.020 2 745 166 82 MET HG2 H 1.762 0.020 2 746 166 82 MET HG3 H 1.723 0.020 2 747 166 82 MET HE H 1.593 0.020 1 748 166 82 MET CA C 57.313 0.400 1 749 166 82 MET CB C 32.683 0.400 1 750 166 82 MET CG C 32.507 0.400 1 751 166 82 MET CE C 17.100 0.400 1 752 166 82 MET N N 120.935 0.400 1 753 168 84 GLU H H 8.280 0.020 1 754 168 84 GLU HB2 H 2.009 0.020 2 755 168 84 GLU HB3 H 1.943 0.020 2 756 168 84 GLU HG2 H 2.574 0.020 1 757 168 84 GLU HG3 H 2.574 0.020 1 758 168 84 GLU CB C 32.684 0.400 1 759 168 84 GLU CG C 32.042 0.400 1 760 168 84 GLU N N 124.983 0.400 1 761 172 88 GLN H H 8.645 0.020 1 762 172 88 GLN HB2 H 1.618 0.020 2 763 172 88 GLN HB3 H 1.531 0.020 2 764 172 88 GLN HG2 H 1.861 0.020 2 765 172 88 GLN HG3 H 1.754 0.020 2 766 172 88 GLN CB C 28.983 0.400 1 767 172 88 GLN CG C 32.218 0.400 1 768 172 88 GLN N N 120.286 0.400 1 769 173 89 ASN H H 8.318 0.020 1 770 173 89 ASN HA H 4.241 0.020 1 771 173 89 ASN HB2 H 2.742 0.020 2 772 173 89 ASN HB3 H 2.685 0.020 2 773 173 89 ASN HD21 H 7.563 0.020 2 774 173 89 ASN HD22 H 6.914 0.020 2 775 173 89 ASN CA C 56.431 0.400 1 776 173 89 ASN CB C 37.901 0.400 1 777 173 89 ASN N N 116.540 0.400 1 778 173 89 ASN ND2 N 112.566 0.400 1 779 174 90 ASN H H 8.559 0.020 1 780 174 90 ASN HA H 4.555 0.020 1 781 174 90 ASN HB2 H 3.032 0.020 2 782 174 90 ASN HB3 H 2.944 0.020 2 783 174 90 ASN HD21 H 7.675 0.020 2 784 174 90 ASN HD22 H 7.074 0.020 2 785 174 90 ASN CA C 55.843 0.400 1 786 174 90 ASN CB C 37.917 0.400 1 787 174 90 ASN N N 118.174 0.400 1 788 174 90 ASN ND2 N 112.112 0.400 1 789 175 91 PHE HD1 H 7.664 0.020 1 790 175 91 PHE HD2 H 7.664 0.020 1 791 175 91 PHE HE1 H 6.689 0.020 1 792 175 91 PHE HE2 H 6.689 0.020 1 793 175 91 PHE HZ H 7.307 0.020 1 794 175 91 PHE CD1 C 128.692 0.400 1 795 175 91 PHE CD2 C 128.692 0.400 1 796 175 91 PHE CE1 C 126.270 0.400 1 797 175 91 PHE CE2 C 126.270 0.400 1 798 175 91 PHE CZ C 130.059 0.400 1 799 176 92 VAL H H 8.860 0.020 1 800 176 92 VAL HA H 3.541 0.020 1 801 176 92 VAL HB H 2.225 0.020 1 802 176 92 VAL HG1 H 0.944 0.020 2 803 176 92 VAL HG2 H 1.082 0.020 2 804 176 92 VAL CA C 67.742 0.400 1 805 176 92 VAL CB C 31.956 0.400 1 806 176 92 VAL CG1 C 21.497 0.400 1 807 176 92 VAL CG2 C 24.674 0.400 1 808 176 92 VAL N N 120.385 0.400 1 809 177 93 HIS H H 8.278 0.020 1 810 177 93 HIS HA H 4.261 0.020 1 811 177 93 HIS HB2 H 2.907 0.020 2 812 177 93 HIS HB3 H 3.223 0.020 2 813 177 93 HIS HD2 H 7.255 0.020 1 814 177 93 HIS CA C 60.002 0.400 1 815 177 93 HIS CB C 29.938 0.400 1 816 177 93 HIS CD2 C 117.574 0.400 1 817 177 93 HIS N N 118.020 0.400 1 818 178 94 ASP H H 7.674 0.020 1 819 178 94 ASP HA H 4.525 0.020 1 820 178 94 ASP HB2 H 2.829 0.020 2 821 178 94 ASP HB3 H 2.952 0.020 2 822 178 94 ASP CA C 57.387 0.400 1 823 178 94 ASP CB C 41.279 0.400 1 824 178 94 ASP N N 118.211 0.400 1 825 179 95 CYS H H 8.035 0.020 1 826 179 95 CYS HA H 4.651 0.020 1 827 179 95 CYS HB2 H 3.390 0.020 2 828 179 95 CYS HB3 H 2.979 0.020 2 829 179 95 CYS CA C 58.467 0.400 1 830 179 95 CYS CB C 40.741 0.400 1 831 179 95 CYS N N 119.136 0.400 1 832 180 96 VAL H H 9.201 0.020 1 833 180 96 VAL HA H 3.672 0.020 1 834 180 96 VAL HB H 2.158 0.020 1 835 180 96 VAL HG1 H 1.084 0.020 2 836 180 96 VAL HG2 H 0.884 0.020 2 837 180 96 VAL CA C 66.265 0.400 1 838 180 96 VAL CB C 31.904 0.400 1 839 180 96 VAL CG1 C 23.186 0.400 1 840 180 96 VAL CG2 C 21.147 0.400 1 841 180 96 VAL N N 125.029 0.400 1 842 181 97 ASN H H 7.656 0.020 1 843 181 97 ASN HA H 4.309 0.020 1 844 181 97 ASN HB2 H 2.841 0.020 2 845 181 97 ASN HB3 H 2.753 0.020 2 846 181 97 ASN HD21 H 7.536 0.020 2 847 181 97 ASN HD22 H 6.600 0.020 2 848 181 97 ASN CA C 56.623 0.400 1 849 181 97 ASN CB C 38.838 0.400 1 850 181 97 ASN N N 116.235 0.400 1 851 181 97 ASN ND2 N 112.556 0.400 1 852 182 98 ILE H H 8.723 0.020 1 853 182 98 ILE HA H 3.779 0.020 1 854 182 98 ILE HB H 1.565 0.020 1 855 182 98 ILE HG12 H 0.795 0.020 2 856 182 98 ILE HG13 H 0.864 0.020 2 857 182 98 ILE HG2 H 0.307 0.020 1 858 182 98 ILE HD1 H 0.409 0.020 1 859 182 98 ILE CA C 62.135 0.400 1 860 182 98 ILE CB C 36.671 0.400 1 861 182 98 ILE CG1 C 27.663 0.400 1 862 182 98 ILE CG2 C 18.605 0.400 1 863 182 98 ILE CD1 C 11.686 0.400 1 864 182 98 ILE N N 118.806 0.400 1 865 183 99 THR H H 8.124 0.020 1 866 183 99 THR HA H 4.092 0.020 1 867 183 99 THR HB H 4.499 0.020 1 868 183 99 THR HG2 H 1.496 0.020 1 869 183 99 THR CA C 68.794 0.400 1 870 183 99 THR CB C 67.992 0.400 1 871 183 99 THR CG2 C 22.117 0.400 1 872 183 99 THR N N 118.414 0.400 1 873 184 100 ILE H H 8.648 0.020 1 874 184 100 ILE HA H 3.674 0.020 1 875 184 100 ILE HB H 1.916 0.020 1 876 184 100 ILE HG12 H 1.754 0.020 2 877 184 100 ILE HG13 H 1.493 0.020 2 878 184 100 ILE HG2 H 0.935 0.020 1 879 184 100 ILE HD1 H 0.811 0.020 1 880 184 100 ILE CA C 66.508 0.400 1 881 184 100 ILE CB C 37.704 0.400 1 882 184 100 ILE CG1 C 30.207 0.400 1 883 184 100 ILE CG2 C 16.787 0.400 1 884 184 100 ILE CD1 C 14.447 0.400 1 885 184 100 ILE N N 121.678 0.400 1 886 185 101 LYS H H 7.840 0.020 1 887 185 101 LYS HA H 4.038 0.020 1 888 185 101 LYS HB2 H 1.872 0.020 2 889 185 101 LYS HB3 H 1.958 0.020 2 890 185 101 LYS HG2 H 1.489 0.020 2 891 185 101 LYS HG3 H 1.393 0.020 2 892 185 101 LYS HD2 H 1.609 0.020 1 893 185 101 LYS HD3 H 1.609 0.020 1 894 185 101 LYS HE2 H 2.959 0.020 2 895 185 101 LYS HE3 H 2.911 0.020 2 896 185 101 LYS CA C 59.852 0.400 1 897 185 101 LYS CB C 32.163 0.400 1 898 185 101 LYS CG C 24.940 0.400 1 899 185 101 LYS CD C 28.930 0.400 1 900 185 101 LYS CE C 41.762 0.400 1 901 185 101 LYS N N 123.289 0.400 1 902 186 102 GLN H H 8.467 0.020 1 903 186 102 GLN HA H 4.030 0.020 1 904 186 102 GLN HB2 H 1.921 0.020 2 905 186 102 GLN HB3 H 1.899 0.020 2 906 186 102 GLN HG2 H 2.056 0.020 2 907 186 102 GLN HG3 H 1.607 0.020 2 908 186 102 GLN HE21 H 6.759 0.020 2 909 186 102 GLN HE22 H 6.679 0.020 2 910 186 102 GLN CA C 57.892 0.400 1 911 186 102 GLN CB C 28.096 0.400 1 912 186 102 GLN CG C 33.609 0.400 1 913 186 102 GLN N N 116.997 0.400 1 914 186 102 GLN NE2 N 109.925 0.400 1 915 187 103 HIS H H 8.448 0.020 1 916 187 103 HIS HA H 4.598 0.020 1 917 187 103 HIS HB2 H 3.093 0.020 2 918 187 103 HIS HB3 H 3.318 0.020 2 919 187 103 HIS CA C 59.737 0.400 1 920 187 103 HIS CB C 31.942 0.400 1 921 187 103 HIS N N 119.414 0.400 1 922 188 104 THR H H 8.309 0.020 1 923 188 104 THR HA H 4.067 0.020 1 924 188 104 THR HB H 4.450 0.020 1 925 188 104 THR HG2 H 1.254 0.020 1 926 188 104 THR CA C 66.325 0.400 1 927 188 104 THR CB C 68.749 0.400 1 928 188 104 THR CG2 C 21.016 0.400 1 929 188 104 THR N N 114.096 0.400 1 930 189 105 VAL H H 8.022 0.020 1 931 189 105 VAL HA H 3.920 0.020 1 932 189 105 VAL HB H 2.223 0.020 1 933 189 105 VAL HG1 H 1.057 0.020 2 934 189 105 VAL HG2 H 0.963 0.020 2 935 189 105 VAL CA C 65.904 0.400 1 936 189 105 VAL CB C 31.850 0.400 1 937 189 105 VAL CG1 C 21.987 0.400 1 938 189 105 VAL CG2 C 20.920 0.400 1 939 189 105 VAL N N 122.700 0.400 1 940 190 106 THR H H 8.133 0.020 1 941 190 106 THR HA H 4.126 0.020 1 942 190 106 THR HB H 4.265 0.020 1 943 190 106 THR HG2 H 1.301 0.020 1 944 190 106 THR CA C 65.092 0.400 1 945 190 106 THR CB C 69.094 0.400 1 946 190 106 THR CG2 C 21.657 0.400 1 947 190 106 THR N N 115.276 0.400 1 948 191 107 THR H H 8.003 0.020 1 949 191 107 THR HA H 4.071 0.020 1 950 191 107 THR HB H 4.266 0.020 1 951 191 107 THR HG2 H 0.928 0.020 1 952 191 107 THR CA C 64.952 0.400 1 953 191 107 THR CB C 69.097 0.400 1 954 191 107 THR CG2 C 19.191 0.400 1 955 191 107 THR N N 114.616 0.400 1 956 192 108 THR H H 8.187 0.020 1 957 192 108 THR HA H 4.366 0.020 1 958 192 108 THR HB H 4.356 0.020 1 959 192 108 THR HG2 H 1.331 0.020 1 960 192 108 THR CA C 65.141 0.400 1 961 192 108 THR CB C 68.979 0.400 1 962 192 108 THR CG2 C 21.443 0.400 1 963 192 108 THR N N 117.708 0.400 1 964 193 109 THR H H 7.841 0.020 1 965 193 109 THR HA H 4.191 0.020 1 966 193 109 THR HB H 4.321 0.020 1 967 193 109 THR HG2 H 1.235 0.020 1 968 193 109 THR CA C 64.495 0.400 1 969 193 109 THR CB C 68.964 0.400 1 970 193 109 THR CG2 C 22.007 0.400 1 971 193 109 THR N N 116.214 0.400 1 972 194 110 LYS H H 7.534 0.020 1 973 194 110 LYS HA H 4.402 0.020 1 974 194 110 LYS HB2 H 1.862 0.020 2 975 194 110 LYS HB3 H 2.006 0.020 2 976 194 110 LYS HG2 H 1.450 0.020 2 977 194 110 LYS HG3 H 1.520 0.020 2 978 194 110 LYS HD2 H 1.666 0.020 1 979 194 110 LYS HD3 H 1.666 0.020 1 980 194 110 LYS HE2 H 2.959 0.020 2 981 194 110 LYS HE3 H 2.911 0.020 2 982 194 110 LYS CA C 56.225 0.400 1 983 194 110 LYS CB C 32.533 0.400 1 984 194 110 LYS CG C 24.664 0.400 1 985 194 110 LYS CD C 29.034 0.400 1 986 194 110 LYS CE C 41.859 0.400 1 987 194 110 LYS N N 119.915 0.400 1 988 195 111 GLY H H 7.929 0.020 1 989 195 111 GLY HA2 H 3.818 0.020 2 990 195 111 GLY HA3 H 4.147 0.020 2 991 195 111 GLY CA C 45.467 0.400 1 992 195 111 GLY N N 108.020 0.400 1 993 196 112 GLU H H 7.484 0.020 1 994 196 112 GLU HA H 4.257 0.020 1 995 196 112 GLU HB2 H 1.550 0.020 1 996 196 112 GLU HB3 H 1.550 0.020 1 997 196 112 GLU HG2 H 1.911 0.020 2 998 196 112 GLU HG3 H 2.049 0.020 2 999 196 112 GLU CA C 55.617 0.400 1 1000 196 112 GLU CB C 31.232 0.400 1 1001 196 112 GLU CG C 35.999 0.400 1 1002 196 112 GLU N N 119.994 0.400 1 1003 197 113 ASN H H 8.444 0.020 1 1004 197 113 ASN HA H 4.663 0.020 1 1005 197 113 ASN HB2 H 2.632 0.020 2 1006 197 113 ASN HB3 H 2.580 0.020 2 1007 197 113 ASN HD21 H 7.521 0.020 2 1008 197 113 ASN HD22 H 6.778 0.020 2 1009 197 113 ASN CA C 52.671 0.400 1 1010 197 113 ASN CB C 40.918 0.400 1 1011 197 113 ASN N N 119.266 0.400 1 1012 197 113 ASN ND2 N 113.194 0.400 1 1013 198 114 PHE H H 8.666 0.020 1 1014 198 114 PHE HA H 5.321 0.020 1 1015 198 114 PHE HB2 H 3.155 0.020 2 1016 198 114 PHE HB3 H 2.917 0.020 2 1017 198 114 PHE HD1 H 7.332 0.020 1 1018 198 114 PHE HD2 H 7.332 0.020 1 1019 198 114 PHE HE1 H 7.452 0.020 1 1020 198 114 PHE HE2 H 7.452 0.020 1 1021 198 114 PHE HZ H 7.243 0.020 1 1022 198 114 PHE CA C 56.547 0.400 1 1023 198 114 PHE CB C 40.111 0.400 1 1024 198 114 PHE CD1 C 128.626 0.400 1 1025 198 114 PHE CD2 C 128.626 0.400 1 1026 198 114 PHE CE1 C 127.192 0.400 1 1027 198 114 PHE CE2 C 127.192 0.400 1 1028 198 114 PHE CZ C 128.565 0.400 1 1029 198 114 PHE N N 121.678 0.400 1 1030 199 115 THR H H 9.547 0.020 1 1031 199 115 THR HA H 4.634 0.020 1 1032 199 115 THR HB H 4.837 0.020 1 1033 199 115 THR HG2 H 1.430 0.020 1 1034 199 115 THR CA C 60.290 0.400 1 1035 199 115 THR CB C 72.114 0.400 1 1036 199 115 THR CG2 C 21.638 0.400 1 1037 199 115 THR N N 115.825 0.400 1 1038 200 116 GLU H H 9.123 0.020 1 1039 200 116 GLU HA H 4.057 0.020 1 1040 200 116 GLU HB2 H 2.064 0.020 2 1041 200 116 GLU HB3 H 2.119 0.020 2 1042 200 116 GLU HG2 H 2.384 0.020 2 1043 200 116 GLU HG3 H 2.314 0.020 2 1044 200 116 GLU CA C 59.931 0.400 1 1045 200 116 GLU CB C 29.189 0.400 1 1046 200 116 GLU CG C 36.317 0.400 1 1047 200 116 GLU N N 119.915 0.400 1 1048 201 117 THR H H 7.904 0.020 1 1049 201 117 THR HA H 3.804 0.020 1 1050 201 117 THR HB H 3.706 0.020 1 1051 201 117 THR HG2 H 0.673 0.020 1 1052 201 117 THR CA C 66.694 0.400 1 1053 201 117 THR CB C 68.644 0.400 1 1054 201 117 THR CG2 C 20.923 0.400 1 1055 201 117 THR N N 116.154 0.400 1 1056 202 118 ASP H H 7.467 0.020 1 1057 202 118 ASP HA H 4.609 0.020 1 1058 202 118 ASP HB2 H 3.418 0.020 2 1059 202 118 ASP HB3 H 2.695 0.020 2 1060 202 118 ASP CA C 58.008 0.400 1 1061 202 118 ASP CB C 41.820 0.400 1 1062 202 118 ASP N N 119.983 0.400 1 1063 203 119 VAL H H 8.164 0.020 1 1064 203 119 VAL HA H 3.295 0.020 1 1065 203 119 VAL HB H 2.090 0.020 1 1066 203 119 VAL HG1 H 0.964 0.020 2 1067 203 119 VAL HG2 H 0.966 0.020 2 1068 203 119 VAL CA C 67.761 0.400 1 1069 203 119 VAL CB C 31.526 0.400 1 1070 203 119 VAL CG1 C 21.007 0.400 1 1071 203 119 VAL CG2 C 22.703 0.400 1 1072 203 119 VAL N N 119.507 0.400 1 1073 204 120 LYS H H 7.695 0.020 1 1074 204 120 LYS HA H 4.104 0.020 1 1075 204 120 LYS HB2 H 1.961 0.020 2 1076 204 120 LYS HB3 H 1.905 0.020 2 1077 204 120 LYS HG2 H 1.490 0.020 1 1078 204 120 LYS HG3 H 1.490 0.020 1 1079 204 120 LYS HD2 H 1.612 0.020 2 1080 204 120 LYS HD3 H 1.681 0.020 2 1081 204 120 LYS HE2 H 2.961 0.020 2 1082 204 120 LYS HE3 H 2.910 0.020 2 1083 204 120 LYS CA C 59.034 0.400 1 1084 204 120 LYS CB C 32.054 0.400 1 1085 204 120 LYS CG C 24.940 0.400 1 1086 204 120 LYS CD C 29.000 0.400 1 1087 204 120 LYS CE C 41.836 0.400 1 1088 204 120 LYS N N 118.902 0.400 1 1089 205 121 MET H H 8.137 0.020 1 1090 205 121 MET HA H 4.184 0.020 1 1091 205 121 MET HB2 H 2.358 0.020 2 1092 205 121 MET HB3 H 1.940 0.020 2 1093 205 121 MET HG2 H 2.248 0.020 2 1094 205 121 MET HG3 H 2.959 0.020 2 1095 205 121 MET HE H 1.522 0.020 1 1096 205 121 MET CA C 59.738 0.400 1 1097 205 121 MET CB C 32.768 0.400 1 1098 205 121 MET CG C 33.964 0.400 1 1099 205 121 MET CE C 18.231 0.400 1 1100 205 121 MET N N 118.411 0.400 1 1101 206 122 MET H H 8.662 0.020 1 1102 206 122 MET HA H 3.546 0.020 1 1103 206 122 MET HB2 H 2.118 0.020 2 1104 206 122 MET HB3 H 1.561 0.020 2 1105 206 122 MET HG2 H 1.632 0.020 2 1106 206 122 MET HG3 H 1.865 0.020 2 1107 206 122 MET HE H 1.268 0.020 1 1108 206 122 MET CA C 60.030 0.400 1 1109 206 122 MET CB C 33.435 0.400 1 1110 206 122 MET CG C 33.149 0.400 1 1111 206 122 MET CE C 15.830 0.400 1 1112 206 122 MET N N 118.101 0.400 1 1113 207 123 GLU H H 8.517 0.020 1 1114 207 123 GLU HA H 3.647 0.020 1 1115 207 123 GLU HB2 H 1.996 0.020 2 1116 207 123 GLU HB3 H 2.165 0.020 2 1117 207 123 GLU HG2 H 2.471 0.020 2 1118 207 123 GLU HG3 H 2.187 0.020 2 1119 207 123 GLU CA C 60.851 0.400 1 1120 207 123 GLU CB C 29.254 0.400 1 1121 207 123 GLU CG C 36.622 0.400 1 1122 207 123 GLU N N 118.872 0.400 1 1123 208 124 ARG H H 7.216 0.020 1 1124 208 124 ARG HA H 4.244 0.020 1 1125 208 124 ARG HB2 H 1.951 0.020 2 1126 208 124 ARG HB3 H 2.100 0.020 2 1127 208 124 ARG HG2 H 1.842 0.020 2 1128 208 124 ARG HG3 H 1.754 0.020 2 1129 208 124 ARG HD2 H 3.255 0.020 2 1130 208 124 ARG HD3 H 3.158 0.020 2 1131 208 124 ARG CA C 58.344 0.400 1 1132 208 124 ARG CB C 30.166 0.400 1 1133 208 124 ARG CG C 26.828 0.400 1 1134 208 124 ARG CD C 42.624 0.400 1 1135 208 124 ARG N N 116.442 0.400 1 1136 209 125 VAL H H 8.278 0.020 1 1137 209 125 VAL HA H 3.790 0.020 1 1138 209 125 VAL HB H 1.889 0.020 1 1139 209 125 VAL HG1 H 0.963 0.020 2 1140 209 125 VAL HG2 H 1.295 0.020 2 1141 209 125 VAL CA C 65.809 0.400 1 1142 209 125 VAL CB C 32.189 0.400 1 1143 209 125 VAL CG1 C 20.974 0.400 1 1144 209 125 VAL CG2 C 23.895 0.400 1 1145 209 125 VAL N N 119.222 0.400 1 1146 210 126 ILE H H 9.100 0.020 1 1147 210 126 ILE HA H 3.711 0.020 1 1148 210 126 ILE HB H 2.040 0.020 1 1149 210 126 ILE HG12 H 1.753 0.020 2 1150 210 126 ILE HG13 H 0.942 0.020 2 1151 210 126 ILE HG2 H 1.198 0.020 1 1152 210 126 ILE HD1 H 0.718 0.020 1 1153 210 126 ILE CA C 64.775 0.400 1 1154 210 126 ILE CB C 36.924 0.400 1 1155 210 126 ILE CG1 C 30.023 0.400 1 1156 210 126 ILE CG2 C 20.764 0.400 1 1157 210 126 ILE CD1 C 14.544 0.400 1 1158 210 126 ILE N N 121.173 0.400 1 1159 211 127 GLU H H 7.920 0.020 1 1160 211 127 GLU HA H 3.582 0.020 1 1161 211 127 GLU HB2 H 2.190 0.020 2 1162 211 127 GLU HB3 H 2.160 0.020 2 1163 211 127 GLU HG2 H 2.035 0.020 2 1164 211 127 GLU HG3 H 2.069 0.020 2 1165 211 127 GLU CA C 61.063 0.400 1 1166 211 127 GLU CB C 29.200 0.400 1 1167 211 127 GLU CG C 36.118 0.400 1 1168 211 127 GLU N N 120.693 0.400 1 1169 212 128 GLN H H 7.090 0.020 1 1170 212 128 GLN HA H 3.695 0.020 1 1171 212 128 GLN HB2 H 2.120 0.020 1 1172 212 128 GLN HB3 H 2.120 0.020 1 1173 212 128 GLN HG2 H 2.470 0.020 2 1174 212 128 GLN HG3 H 2.408 0.020 2 1175 212 128 GLN HE21 H 6.871 0.020 2 1176 212 128 GLN HE22 H 7.586 0.020 2 1177 212 128 GLN CA C 58.840 0.400 1 1178 212 128 GLN CB C 28.070 0.400 1 1179 212 128 GLN CG C 33.613 0.400 1 1180 212 128 GLN N N 114.506 0.400 1 1181 212 128 GLN NE2 N 113.524 0.400 1 1182 213 129 MET H H 8.130 0.020 1 1183 213 129 MET HA H 4.165 0.020 1 1184 213 129 MET HB2 H 2.174 0.020 2 1185 213 129 MET HB3 H 2.136 0.020 2 1186 213 129 MET HG2 H 2.795 0.020 2 1187 213 129 MET HG3 H 2.421 0.020 2 1188 213 129 MET HE H 1.885 0.020 1 1189 213 129 MET CA C 59.845 0.400 1 1190 213 129 MET CB C 34.534 0.400 1 1191 213 129 MET CG C 32.327 0.400 1 1192 213 129 MET CE C 16.475 0.400 1 1193 213 129 MET N N 119.475 0.400 1 1194 214 130 CYS H H 9.276 0.020 1 1195 214 130 CYS HA H 4.411 0.020 1 1196 214 130 CYS HB2 H 3.554 0.020 2 1197 214 130 CYS HB3 H 2.910 0.020 2 1198 214 130 CYS CA C 59.836 0.400 1 1199 214 130 CYS CB C 41.891 0.400 1 1200 214 130 CYS N N 119.486 0.400 1 1201 215 131 ILE H H 8.323 0.020 1 1202 215 131 ILE HA H 3.577 0.020 1 1203 215 131 ILE HB H 2.024 0.020 1 1204 215 131 ILE HG12 H 0.989 0.020 2 1205 215 131 ILE HG13 H 0.846 0.020 2 1206 215 131 ILE HG2 H 0.902 0.020 1 1207 215 131 ILE HD1 H 0.846 0.020 1 1208 215 131 ILE CA C 66.706 0.400 1 1209 215 131 ILE CB C 38.049 0.400 1 1210 215 131 ILE CG1 C 30.949 0.400 1 1211 215 131 ILE CG2 C 17.217 0.400 1 1212 215 131 ILE CD1 C 14.032 0.400 1 1213 215 131 ILE N N 123.991 0.400 1 1214 216 132 THR H H 8.069 0.020 1 1215 216 132 THR HA H 3.983 0.020 1 1216 216 132 THR HB H 4.322 0.020 1 1217 216 132 THR HG2 H 1.228 0.020 1 1218 216 132 THR CA C 66.987 0.400 1 1219 216 132 THR CB C 68.169 0.400 1 1220 216 132 THR CG2 C 21.093 0.400 1 1221 216 132 THR N N 118.632 0.400 1 1222 217 133 GLN H H 8.695 0.020 1 1223 217 133 GLN HA H 3.644 0.020 1 1224 217 133 GLN HB2 H 2.106 0.020 2 1225 217 133 GLN HB3 H 2.131 0.020 2 1226 217 133 GLN HG2 H 2.283 0.020 2 1227 217 133 GLN HG3 H 2.225 0.020 2 1228 217 133 GLN HE21 H 7.263 0.020 2 1229 217 133 GLN HE22 H 6.921 0.020 2 1230 217 133 GLN CA C 58.541 0.400 1 1231 217 133 GLN CB C 28.203 0.400 1 1232 217 133 GLN CG C 32.248 0.400 1 1233 217 133 GLN N N 122.292 0.400 1 1234 217 133 GLN NE2 N 116.039 0.400 1 1235 218 134 TYR H H 8.605 0.020 1 1236 218 134 TYR HA H 2.975 0.020 1 1237 218 134 TYR HB2 H 2.748 0.020 2 1238 218 134 TYR HB3 H 3.117 0.020 2 1239 218 134 TYR HD1 H 6.231 0.020 1 1240 218 134 TYR HD2 H 6.231 0.020 1 1241 218 134 TYR HE1 H 6.548 0.020 1 1242 218 134 TYR HE2 H 6.548 0.020 1 1243 218 134 TYR CA C 61.977 0.400 1 1244 218 134 TYR CB C 36.974 0.400 1 1245 218 134 TYR CD1 C 129.623 0.400 1 1246 218 134 TYR CD2 C 129.623 0.400 1 1247 218 134 TYR CE1 C 114.802 0.400 1 1248 218 134 TYR CE2 C 114.802 0.400 1 1249 218 134 TYR N N 121.529 0.400 1 1250 219 135 GLU H H 8.287 0.020 1 1251 219 135 GLU HA H 3.726 0.020 1 1252 219 135 GLU HB2 H 2.346 0.020 2 1253 219 135 GLU HB3 H 2.060 0.020 2 1254 219 135 GLU HG2 H 2.571 0.020 2 1255 219 135 GLU HG3 H 2.308 0.020 2 1256 219 135 GLU CA C 59.709 0.400 1 1257 219 135 GLU CB C 28.979 0.400 1 1258 219 135 GLU CG C 36.427 0.400 1 1259 219 135 GLU N N 121.413 0.400 1 1260 220 136 ARG H H 7.873 0.020 1 1261 220 136 ARG HA H 3.980 0.020 1 1262 220 136 ARG HB2 H 1.844 0.020 2 1263 220 136 ARG HB3 H 1.820 0.020 2 1264 220 136 ARG HG2 H 1.842 0.020 2 1265 220 136 ARG HG3 H 1.624 0.020 2 1266 220 136 ARG HD2 H 2.898 0.020 2 1267 220 136 ARG HD3 H 2.878 0.020 2 1268 220 136 ARG CA C 59.040 0.400 1 1269 220 136 ARG CB C 30.330 0.400 1 1270 220 136 ARG CG C 27.017 0.400 1 1271 220 136 ARG CD C 43.156 0.400 1 1272 220 136 ARG N N 119.051 0.400 1 1273 221 137 GLU H H 8.473 0.020 1 1274 221 137 GLU HA H 4.030 0.020 1 1275 221 137 GLU HB2 H 1.987 0.020 2 1276 221 137 GLU HB3 H 1.851 0.020 2 1277 221 137 GLU HG2 H 2.385 0.020 2 1278 221 137 GLU HG3 H 2.187 0.020 2 1279 221 137 GLU CA C 57.944 0.400 1 1280 221 137 GLU CB C 29.328 0.400 1 1281 221 137 GLU CG C 36.536 0.400 1 1282 221 137 GLU N N 119.382 0.400 1 1283 222 138 SER H H 8.491 0.020 1 1284 222 138 SER HA H 3.893 0.020 1 1285 222 138 SER HB2 H 3.609 0.020 2 1286 222 138 SER HB3 H 3.377 0.020 2 1287 222 138 SER CA C 61.375 0.400 1 1288 222 138 SER CB C 62.371 0.400 1 1289 222 138 SER N N 115.964 0.400 1 1290 223 139 GLN H H 7.584 0.020 1 1291 223 139 GLN HA H 4.121 0.020 1 1292 223 139 GLN HB2 H 2.119 0.020 1 1293 223 139 GLN HB3 H 2.119 0.020 1 1294 223 139 GLN HG2 H 2.361 0.020 2 1295 223 139 GLN HG3 H 2.514 0.020 2 1296 223 139 GLN HE21 H 7.485 0.020 2 1297 223 139 GLN HE22 H 6.784 0.020 2 1298 223 139 GLN CA C 58.329 0.400 1 1299 223 139 GLN CB C 28.172 0.400 1 1300 223 139 GLN CG C 33.871 0.400 1 1301 223 139 GLN N N 120.397 0.400 1 1302 223 139 GLN NE2 N 111.812 0.400 1 1303 224 140 ALA H H 7.479 0.020 1 1304 224 140 ALA HA H 4.172 0.020 1 1305 224 140 ALA HB H 1.431 0.020 1 1306 224 140 ALA CA C 54.055 0.400 1 1307 224 140 ALA CB C 18.382 0.400 1 1308 224 140 ALA N N 120.675 0.400 1 1309 225 141 TYR H H 8.092 0.020 1 1310 225 141 TYR HA H 4.142 0.020 1 1311 225 141 TYR HB2 H 3.043 0.020 2 1312 225 141 TYR HB3 H 2.840 0.020 2 1313 225 141 TYR HD1 H 6.663 0.020 1 1314 225 141 TYR HD2 H 6.663 0.020 1 1315 225 141 TYR HE1 H 6.757 0.020 1 1316 225 141 TYR HE2 H 6.757 0.020 1 1317 225 141 TYR CA C 60.475 0.400 1 1318 225 141 TYR CB C 39.032 0.400 1 1319 225 141 TYR CD1 C 130.129 0.400 1 1320 225 141 TYR CD2 C 130.129 0.400 1 1321 225 141 TYR CE1 C 114.832 0.400 1 1322 225 141 TYR CE2 C 114.832 0.400 1 1323 225 141 TYR N N 119.483 0.400 1 1324 226 142 TYR H H 7.982 0.020 1 1325 226 142 TYR HA H 4.357 0.020 1 1326 226 142 TYR HB2 H 2.946 0.020 2 1327 226 142 TYR HB3 H 3.183 0.020 2 1328 226 142 TYR HD1 H 7.220 0.020 1 1329 226 142 TYR HD2 H 7.220 0.020 1 1330 226 142 TYR HE1 H 7.066 0.020 1 1331 226 142 TYR HE2 H 7.066 0.020 1 1332 226 142 TYR CA C 59.282 0.400 1 1333 226 142 TYR CB C 37.992 0.400 1 1334 226 142 TYR CD1 C 130.325 0.400 1 1335 226 142 TYR CD2 C 130.325 0.400 1 1336 226 142 TYR CE1 C 115.312 0.400 1 1337 226 142 TYR CE2 C 115.312 0.400 1 1338 226 142 TYR N N 117.927 0.400 1 1339 227 143 GLN H H 7.833 0.020 1 1340 227 143 GLN HA H 4.243 0.020 1 1341 227 143 GLN HB2 H 2.068 0.020 2 1342 227 143 GLN HB3 H 2.154 0.020 2 1343 227 143 GLN HG2 H 2.354 0.020 2 1344 227 143 GLN HG3 H 2.406 0.020 2 1345 227 143 GLN HE21 H 7.452 0.020 2 1346 227 143 GLN HE22 H 6.804 0.020 2 1347 227 143 GLN CA C 56.337 0.400 1 1348 227 143 GLN CB C 28.671 0.400 1 1349 227 143 GLN CG C 33.827 0.400 1 1350 227 143 GLN N N 119.227 0.400 1 1351 227 143 GLN NE2 N 111.910 0.400 1 1352 228 144 ARG H H 7.868 0.020 1 1353 228 144 ARG HA H 4.200 0.020 1 1354 228 144 ARG HB2 H 1.806 0.020 2 1355 228 144 ARG HB3 H 1.852 0.020 2 1356 228 144 ARG HG2 H 1.694 0.020 2 1357 228 144 ARG HG3 H 1.624 0.020 2 1358 228 144 ARG HD2 H 3.164 0.020 2 1359 228 144 ARG HD3 H 3.128 0.020 2 1360 228 144 ARG CA C 56.910 0.400 1 1361 228 144 ARG CB C 30.563 0.400 1 1362 228 144 ARG CG C 27.118 0.400 1 1363 228 144 ARG CD C 43.440 0.400 1 1364 228 144 ARG N N 120.635 0.400 1 1365 229 145 GLY H H 8.220 0.020 1 1366 229 145 GLY HA2 H 3.964 0.020 1 1367 229 145 GLY HA3 H 3.964 0.020 1 1368 229 145 GLY CA C 45.216 0.400 1 1369 229 145 GLY N N 109.110 0.400 1 1370 230 146 SER H H 8.105 0.020 1 1371 230 146 SER HA H 4.500 0.020 1 1372 230 146 SER HB2 H 3.861 0.020 1 1373 230 146 SER HB3 H 3.861 0.020 1 1374 230 146 SER CA C 58.165 0.400 1 1375 230 146 SER CB C 63.962 0.400 1 1376 230 146 SER N N 115.722 0.400 1 1377 231 147 SER H H 7.983 0.020 1 1378 231 147 SER HA H 4.297 0.020 1 1379 231 147 SER HB2 H 3.859 0.020 1 1380 231 147 SER HB3 H 3.859 0.020 1 1381 231 147 SER CA C 59.992 0.400 1 1382 231 147 SER CB C 64.749 0.400 1 1383 231 147 SER N N 122.943 0.400 1 stop_ save_