data_27259 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 15N, 13C resonance assignments for Human prion protein (91-231): mutant V127M129 (scilicet HuPrPG127V) ; _BMRB_accession_number 27259 _BMRB_flat_file_name bmr27259.str _Entry_type original _Submission_date 2017-09-20 _Accession_date 2017-09-20 _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 Zheng Zhen . . 2 Lin Donghai . . 3 Feng Liubin . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 780 "13C chemical shifts" 532 "15N chemical shifts" 147 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2018-10-02 update BMRB 'update entry citation' 2017-10-20 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 27264 '1H, 15N, 13C resonance assignments for Human prion protein (91-231): wild type (scilicet HuPrPM129)' stop_ _Original_release_date 2017-09-20 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Structural basis for the complete resistance of the human prion protein mutant G127V to prion disease ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 30181558 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Zheng Zhen . . 2 Zhang Meilan . . 3 Wang Yongheng . . 4 Ma Rongsheng . . 5 Guo Chenyun . . 6 Feng Liubin . . 7 Wu Jihui . . 8 Yao Hongwei . . 9 Lin Donghai . . stop_ _Journal_abbreviation 'Sci. Rep.' _Journal_name_full 'Scientific reports' _Journal_volume 8 _Journal_issue 1 _Journal_ISSN 2045-2322 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 13211 _Page_last 13211 _Year 2018 _Details . save_ ################################## # Molecular system description # ################################## save_assembly_1 _Saveframe_category molecular_system _Mol_system_name HuPrPG127V _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label HuPrPG127V $HuPrPG127V 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_HuPrPG127V _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common HuPrPG127V _Molecular_mass . _Mol_thiol_state 'all disulfide bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 142 _Mol_residue_sequence ; MQGGGTHSQWNKPSKPKTNM KHMAGAAAAGAVVGGLGVYM LGSAMSRPIIHFGSDYEDRY YRENMHRYPNQVYYRPMDEY SNQNNFVHDCVNITIKQHTV TTTTKGENFTETDVKMMERV VEQMCITQYERESQAYYQRG SS ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 MET 2 2 GLN 3 3 GLY 4 4 GLY 5 5 GLY 6 6 THR 7 7 HIS 8 8 SER 9 9 GLN 10 10 TRP 11 11 ASN 12 12 LYS 13 13 PRO 14 14 SER 15 15 LYS 16 16 PRO 17 17 LYS 18 18 THR 19 19 ASN 20 20 MET 21 21 LYS 22 22 HIS 23 23 MET 24 24 ALA 25 25 GLY 26 26 ALA 27 27 ALA 28 28 ALA 29 29 ALA 30 30 GLY 31 31 ALA 32 32 VAL 33 33 VAL 34 34 GLY 35 35 GLY 36 36 LEU 37 37 GLY 38 38 VAL 39 39 TYR 40 40 MET 41 41 LEU 42 42 GLY 43 43 SER 44 44 ALA 45 45 MET 46 46 SER 47 47 ARG 48 48 PRO 49 49 ILE 50 50 ILE 51 51 HIS 52 52 PHE 53 53 GLY 54 54 SER 55 55 ASP 56 56 TYR 57 57 GLU 58 58 ASP 59 59 ARG 60 60 TYR 61 61 TYR 62 62 ARG 63 63 GLU 64 64 ASN 65 65 MET 66 66 HIS 67 67 ARG 68 68 TYR 69 69 PRO 70 70 ASN 71 71 GLN 72 72 VAL 73 73 TYR 74 74 TYR 75 75 ARG 76 76 PRO 77 77 MET 78 78 ASP 79 79 GLU 80 80 TYR 81 81 SER 82 82 ASN 83 83 GLN 84 84 ASN 85 85 ASN 86 86 PHE 87 87 VAL 88 88 HIS 89 89 ASP 90 90 CYS 91 91 VAL 92 92 ASN 93 93 ILE 94 94 THR 95 95 ILE 96 96 LYS 97 97 GLN 98 98 HIS 99 99 THR 100 100 VAL 101 101 THR 102 102 THR 103 103 THR 104 104 THR 105 105 LYS 106 106 GLY 107 107 GLU 108 108 ASN 109 109 PHE 110 110 THR 111 111 GLU 112 112 THR 113 113 ASP 114 114 VAL 115 115 LYS 116 116 MET 117 117 MET 118 118 GLU 119 119 ARG 120 120 VAL 121 121 VAL 122 122 GLU 123 123 GLN 124 124 MET 125 125 CYS 126 126 ILE 127 127 THR 128 128 GLN 129 129 TYR 130 130 GLU 131 131 ARG 132 132 GLU 133 133 SER 134 134 GLN 135 135 ALA 136 136 TYR 137 137 TYR 138 138 GLN 139 139 ARG 140 140 GLY 141 141 SER 142 142 SER stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $HuPrPG127V 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 $HuPrPG127V 'recombinant technology' . Escherichia coli . pET30a 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 $HuPrPG127V 0.5 mM '[U-100% 13C; U-100% 15N]' NaOAc 20 mM 'natural abundance' NaN3 0.2 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CARA _Saveframe_category software _Name CARA _Version . loop_ _Vendor _Address _Electronic_address 'Keller and Wuthrich' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 850 _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_CBCA(CO)NH_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_HNCA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_H(CCO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_C(CO)NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aliphatic_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.02 . M pH 4.5 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_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_chemical_shifts_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D CBCA(CO)NH' '3D HNCACB' '3D HN(CO)CA' '3D HNCA' '3D H(CCO)NH' '3D HBHA(CO)NH' '3D C(CO)NH' '3D 1H-15N NOESY' '3D 1H-13C NOESY aliphatic' '3D HCCH-TOCSY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chem_shift_reference_1 _Mol_system_component_name HuPrPG127V _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 1 1 MET HA H 4.159 0.020 1 2 1 1 MET HB2 H 2.187 0.020 2 3 1 1 MET HB3 H 2.187 0.020 2 4 1 1 MET HG2 H 2.604 0.020 1 5 1 1 MET HG3 H 2.604 0.020 1 6 1 1 MET C C 172.115 0.3 1 7 1 1 MET CA C 54.931 0.3 1 8 1 1 MET CB C 32.517 0.3 1 9 1 1 MET CG C 30.518 0.3 1 10 2 2 GLN H H 8.857 0.020 1 11 2 2 GLN HA H 4.438 0.020 1 12 2 2 GLN HB2 H 2.130 0.020 2 13 2 2 GLN HB3 H 2.042 0.020 2 14 2 2 GLN HG2 H 2.410 0.020 1 15 2 2 GLN HG3 H 2.410 0.020 1 16 2 2 GLN C C 175.904 0.3 1 17 2 2 GLN CA C 55.687 0.3 1 18 2 2 GLN CB C 29.480 0.3 1 19 2 2 GLN CG C 33.486 0.3 1 20 2 2 GLN N N 123.813 0.3 1 21 3 3 GLY H H 8.635 0.020 1 22 3 3 GLY HA2 H 3.948 0.020 1 23 3 3 GLY HA3 H 3.948 0.020 1 24 3 3 GLY C C 174.535 0.3 1 25 3 3 GLY CA C 45.180 0.3 1 26 3 3 GLY N N 111.483 0.3 1 27 4 4 GLY H H 8.369 0.020 1 28 4 4 GLY HA2 H 3.945 0.020 1 29 4 4 GLY HA3 H 3.945 0.020 1 30 4 4 GLY C C 174.694 0.3 1 31 4 4 GLY CA C 45.197 0.3 1 32 4 4 GLY N N 108.680 0.3 1 33 5 5 GLY HA2 H 3.870 0.020 1 34 5 5 GLY HA3 H 3.870 0.020 1 35 5 5 GLY C C 174.352 0.3 1 36 5 5 GLY CA C 45.085 0.3 1 37 6 6 THR H H 8.127 0.020 1 38 6 6 THR HA H 4.303 0.020 1 39 6 6 THR HB H 4.189 0.020 1 40 6 6 THR HG2 H 1.167 0.020 1 41 6 6 THR C C 174.535 0.3 1 42 6 6 THR CA C 61.941 0.3 1 43 6 6 THR CB C 69.534 0.3 1 44 6 6 THR CG2 C 20.981 0.3 1 45 6 6 THR N N 113.404 0.3 1 46 7 7 HIS H H 8.580 0.020 1 47 7 7 HIS HA H 4.692 0.020 1 48 7 7 HIS HB2 H 3.261 0.020 2 49 7 7 HIS HB3 H 3.145 0.020 2 50 7 7 HIS C C 174.352 0.3 1 51 7 7 HIS CA C 55.193 0.3 1 52 7 7 HIS CB C 28.658 0.3 1 53 7 7 HIS N N 120.580 0.3 1 54 8 8 SER H H 8.318 0.020 1 55 8 8 SER HA H 4.409 0.020 1 56 8 8 SER HB2 H 3.835 0.020 2 57 8 8 SER HB3 H 3.780 0.020 2 58 8 8 SER C C 174.352 0.3 1 59 8 8 SER CA C 58.463 0.3 1 60 8 8 SER CB C 63.621 0.3 1 61 8 8 SER N N 117.059 0.3 1 62 9 9 GLN H H 8.476 0.020 1 63 9 9 GLN HA H 4.246 0.020 1 64 9 9 GLN HB2 H 1.976 0.020 2 65 9 9 GLN HB3 H 1.880 0.020 2 66 9 9 GLN HG2 H 2.175 0.020 1 67 9 9 GLN HG3 H 2.175 0.020 1 68 9 9 GLN C C 175.562 0.3 1 69 9 9 GLN CA C 55.944 0.3 1 70 9 9 GLN CB C 29.024 0.3 1 71 9 9 GLN CG C 33.247 0.3 1 72 9 9 GLN N N 122.117 0.3 1 73 10 10 TRP H H 8.121 0.020 1 74 10 10 TRP HA H 4.683 0.020 1 75 10 10 TRP HB2 H 3.305 0.020 2 76 10 10 TRP HB3 H 2.953 0.020 2 77 10 10 TRP HD1 H 7.225 0.020 1 78 10 10 TRP HE1 H 10.099 0.020 1 79 10 10 TRP C C 175.562 0.3 1 80 10 10 TRP CA C 57.063 0.3 1 81 10 10 TRP CB C 29.168 0.3 1 82 10 10 TRP N N 121.847 0.3 1 83 10 10 TRP NE1 N 129.214 0.3 1 84 11 11 ASN H H 8.112 0.020 1 85 11 11 ASN HA H 4.620 0.020 1 86 11 11 ASN HB2 H 2.590 0.020 2 87 11 11 ASN HB3 H 2.546 0.020 2 88 11 11 ASN C C 174.010 0.3 1 89 11 11 ASN CA C 52.690 0.3 1 90 11 11 ASN CB C 38.838 0.3 1 91 11 11 ASN N N 120.685 0.3 1 92 12 12 LYS H H 8.000 0.020 1 93 12 12 LYS HA H 4.450 0.020 1 94 12 12 LYS HB2 H 1.653 0.020 1 95 12 12 LYS HB3 H 1.653 0.020 1 96 12 12 LYS HG2 H 1.393 0.020 1 97 12 12 LYS HG3 H 1.393 0.020 1 98 12 12 LYS HD2 H 1.715 0.020 1 99 12 12 LYS HD3 H 1.715 0.020 1 100 12 12 LYS HE2 H 3.011 0.020 1 101 12 12 LYS HE3 H 3.011 0.020 1 102 12 12 LYS C C 178.484 0.3 1 103 12 12 LYS CA C 54.136 0.3 1 104 12 12 LYS CB C 32.329 0.3 1 105 12 12 LYS CG C 24.427 0.3 1 106 12 12 LYS CD C 29.034 0.3 1 107 12 12 LYS CE C 41.920 0.3 1 108 12 12 LYS N N 122.687 0.3 1 109 13 13 PRO HA H 4.437 0.020 1 110 13 13 PRO HB2 H 2.303 0.020 2 111 13 13 PRO HB3 H 1.897 0.020 2 112 13 13 PRO HG2 H 1.973 0.020 1 113 13 13 PRO HG3 H 1.973 0.020 1 114 13 13 PRO HD2 H 3.784 0.020 2 115 13 13 PRO HD3 H 3.659 0.020 2 116 13 13 PRO C C 176.749 0.3 1 117 13 13 PRO CA C 63.063 0.3 1 118 13 13 PRO CB C 31.829 0.3 1 119 13 13 PRO CG C 26.822 0.3 1 120 13 13 PRO CD C 50.442 0.3 1 121 14 14 SER H H 8.430 0.020 1 122 14 14 SER HA H 4.380 0.020 1 123 14 14 SER HB2 H 3.850 0.020 1 124 14 14 SER HB3 H 3.850 0.020 1 125 14 14 SER C C 174.010 0.3 1 126 14 14 SER CA C 58.063 0.3 1 127 14 14 SER CB C 63.872 0.3 1 128 14 14 SER N N 116.931 0.3 1 129 15 15 LYS H H 8.334 0.020 1 130 15 15 LYS HA H 4.641 0.020 1 131 15 15 LYS HB2 H 1.772 0.020 2 132 15 15 LYS HB3 H 1.740 0.020 2 133 15 15 LYS HG2 H 1.416 0.020 1 134 15 15 LYS HG3 H 1.416 0.020 1 135 15 15 LYS HD2 H 1.674 0.020 1 136 15 15 LYS HD3 H 1.674 0.020 1 137 15 15 LYS HE2 H 2.982 0.020 1 138 15 15 LYS HE3 H 2.982 0.020 1 139 15 15 LYS C C 174.352 0.3 1 140 15 15 LYS CA C 54.180 0.3 1 141 15 15 LYS CB C 32.568 0.3 1 142 15 15 LYS CG C 24.496 0.3 1 143 15 15 LYS CD C 29.034 0.3 1 144 15 15 LYS CE C 41.842 0.3 1 145 15 15 LYS N N 124.175 0.3 1 146 16 16 PRO HA H 4.435 0.020 1 147 16 16 PRO HB2 H 2.311 0.020 2 148 16 16 PRO HB3 H 1.911 0.020 2 149 16 16 PRO HG2 H 2.032 0.020 2 150 16 16 PRO HG3 H 2.003 0.020 2 151 16 16 PRO HD2 H 3.838 0.020 2 152 16 16 PRO HD3 H 3.631 0.020 2 153 16 16 PRO C C 176.749 0.3 1 154 16 16 PRO CA C 62.954 0.3 1 155 16 16 PRO CB C 31.924 0.3 1 156 16 16 PRO CG C 27.238 0.3 1 157 16 16 PRO CD C 50.697 0.3 1 158 17 17 LYS H H 8.524 0.020 1 159 17 17 LYS HA H 4.358 0.020 1 160 17 17 LYS HB2 H 1.875 0.020 2 161 17 17 LYS HB3 H 1.739 0.020 2 162 17 17 LYS HG2 H 1.446 0.020 1 163 17 17 LYS HG3 H 1.446 0.020 1 164 17 17 LYS HD2 H 1.717 0.020 1 165 17 17 LYS HD3 H 1.717 0.020 1 166 17 17 LYS HE2 H 2.997 0.020 1 167 17 17 LYS HE3 H 2.997 0.020 1 168 17 17 LYS C C 176.749 0.3 1 169 17 17 LYS CA C 56.500 0.3 1 170 17 17 LYS CB C 32.913 0.3 1 171 17 17 LYS CG C 24.661 0.3 1 172 17 17 LYS CD C 29.034 0.3 1 173 17 17 LYS CE C 41.926 0.3 1 174 17 17 LYS N N 122.111 0.3 1 175 18 18 THR H H 8.144 0.020 1 176 18 18 THR HA H 4.345 0.020 1 177 18 18 THR HB H 4.188 0.020 1 178 18 18 THR HG2 H 1.188 0.020 1 179 18 18 THR C C 173.827 0.3 1 180 18 18 THR CA C 61.563 0.3 1 181 18 18 THR CB C 69.880 0.3 1 182 18 18 THR CG2 C 20.981 0.3 1 183 18 18 THR N N 115.265 0.3 1 184 19 19 ASN H H 8.539 0.020 1 185 19 19 ASN HA H 4.737 0.020 1 186 19 19 ASN HB2 H 2.851 0.020 2 187 19 19 ASN HB3 H 2.764 0.020 2 188 19 19 ASN C C 175.037 0.3 1 189 19 19 ASN CA C 53.107 0.3 1 190 19 19 ASN CB C 38.588 0.3 1 191 19 19 ASN N N 121.324 0.3 1 192 20 20 MET H H 8.350 0.020 1 193 20 20 MET HA H 4.454 0.020 1 194 20 20 MET HB2 H 2.078 0.020 2 195 20 20 MET HB3 H 1.971 0.020 2 196 20 20 MET HG2 H 2.578 0.020 2 197 20 20 MET HG3 H 2.503 0.020 2 198 20 20 MET C C 176.064 0.3 1 199 20 20 MET CA C 55.197 0.3 1 200 20 20 MET CB C 32.718 0.3 1 201 20 20 MET CG C 31.495 0.3 1 202 20 20 MET N N 121.324 0.3 1 203 21 21 LYS H H 8.302 0.020 1 204 21 21 LYS HA H 4.251 0.020 1 205 21 21 LYS HB2 H 1.773 0.020 1 206 21 21 LYS HB3 H 1.773 0.020 1 207 21 21 LYS HG2 H 1.429 0.020 2 208 21 21 LYS HG3 H 1.360 0.020 2 209 21 21 LYS HD2 H 1.678 0.020 1 210 21 21 LYS HD3 H 1.678 0.020 1 211 21 21 LYS HE2 H 3.024 0.020 1 212 21 21 LYS HE3 H 3.024 0.020 1 213 21 21 LYS C C 176.064 0.3 1 214 21 21 LYS CA C 56.260 0.3 1 215 21 21 LYS CB C 32.828 0.3 1 216 21 21 LYS CG C 24.639 0.3 1 217 21 21 LYS CD C 28.745 0.3 1 218 21 21 LYS CE C 41.920 0.3 1 219 21 21 LYS N N 122.242 0.3 1 220 22 22 HIS H H 8.513 0.020 1 221 22 22 HIS HA H 4.687 0.020 1 222 22 22 HIS HB2 H 3.253 0.020 2 223 22 22 HIS HB3 H 3.161 0.020 2 224 22 22 HIS C C 174.192 0.3 1 225 22 22 HIS CA C 55.193 0.3 1 226 22 22 HIS CB C 28.825 0.3 1 227 22 22 HIS N N 119.776 0.3 1 228 23 23 MET H H 8.428 0.020 1 229 23 23 MET HA H 4.478 0.020 1 230 23 23 MET HB2 H 2.094 0.020 2 231 23 23 MET HB3 H 1.969 0.020 2 232 23 23 MET HG2 H 2.594 0.020 2 233 23 23 MET HG3 H 2.511 0.020 2 234 23 23 MET C C 175.562 0.3 1 235 23 23 MET CA C 55.193 0.3 1 236 23 23 MET CB C 32.913 0.3 1 237 23 23 MET CG C 31.495 0.3 1 238 23 23 MET N N 122.677 0.3 1 239 24 24 ALA H H 8.442 0.020 1 240 24 24 ALA HA H 4.334 0.020 1 241 24 24 ALA HB H 1.414 0.020 1 242 24 24 ALA C C 177.959 0.3 1 243 24 24 ALA CA C 52.595 0.3 1 244 24 24 ALA CB C 19.133 0.3 1 245 24 24 ALA N N 125.841 0.3 1 246 25 25 GLY H H 8.395 0.020 1 247 25 25 GLY HA2 H 3.942 0.020 1 248 25 25 GLY HA3 H 3.942 0.020 1 249 25 25 GLY C C 173.827 0.3 1 250 25 25 GLY CA C 45.063 0.3 1 251 25 25 GLY N N 108.561 0.3 1 252 26 26 ALA H H 8.144 0.020 1 253 26 26 ALA HA H 4.320 0.020 1 254 26 26 ALA HB H 1.399 0.020 1 255 26 26 ALA C C 177.616 0.3 1 256 26 26 ALA CA C 52.428 0.3 1 257 26 26 ALA CB C 19.145 0.3 1 258 26 26 ALA N N 123.832 0.3 1 259 27 27 ALA H H 8.287 0.020 1 260 27 27 ALA HA H 4.276 0.020 1 261 27 27 ALA HB H 1.385 0.020 1 262 27 27 ALA C C 177.457 0.3 1 263 27 27 ALA CA C 52.463 0.3 1 264 27 27 ALA CB C 19.228 0.3 1 265 27 27 ALA N N 123.201 0.3 1 266 28 28 ALA H H 8.186 0.020 1 267 28 28 ALA HA H 4.276 0.020 1 268 28 28 ALA HB H 1.370 0.020 1 269 28 28 ALA C C 177.457 0.3 1 270 28 28 ALA CA C 52.356 0.3 1 271 28 28 ALA CB C 18.978 0.3 1 272 28 28 ALA N N 123.268 0.3 1 273 29 29 ALA H H 8.223 0.020 1 274 29 29 ALA HA H 4.320 0.020 1 275 29 29 ALA HB H 1.414 0.020 1 276 29 29 ALA C C 178.141 0.3 1 277 29 29 ALA CA C 52.773 0.3 1 278 29 29 ALA CB C 18.978 0.3 1 279 29 29 ALA N N 123.262 0.3 1 280 30 30 GLY H H 8.287 0.020 1 281 30 30 GLY HA2 H 3.942 0.020 1 282 30 30 GLY HA3 H 3.942 0.020 1 283 30 30 GLY C C 173.485 0.3 1 284 30 30 GLY CA C 45.063 0.3 1 285 30 30 GLY N N 107.996 0.3 1 286 31 31 ALA H H 8.050 0.020 1 287 31 31 ALA HA H 4.391 0.020 1 288 31 31 ALA HB H 1.369 0.020 1 289 31 31 ALA C C 177.457 0.3 1 290 31 31 ALA CA C 52.356 0.3 1 291 31 31 ALA CB C 19.479 0.3 1 292 31 31 ALA N N 123.444 0.3 1 293 32 32 VAL H H 8.176 0.020 1 294 32 32 VAL HA H 4.131 0.020 1 295 32 32 VAL HB H 1.995 0.020 1 296 32 32 VAL HG1 H 0.845 0.020 2 297 32 32 VAL HG2 H 0.844 0.020 2 298 32 32 VAL C C 176.064 0.3 1 299 32 32 VAL CA C 62.108 0.3 1 300 32 32 VAL CB C 32.580 0.3 1 301 32 32 VAL CG1 C 20.981 0.3 1 302 32 32 VAL CG2 C 20.397 0.3 1 303 32 32 VAL N N 119.786 0.3 1 304 33 33 VAL H H 8.287 0.020 1 305 33 33 VAL HA H 4.128 0.020 1 306 33 33 VAL HB H 2.036 0.020 1 307 33 33 VAL HG1 H 0.910 0.020 1 308 33 33 VAL HG2 H 0.910 0.020 1 309 33 33 VAL C C 176.407 0.3 1 310 33 33 VAL CA C 62.525 0.3 1 311 33 33 VAL CB C 32.484 0.3 1 312 33 33 VAL CG1 C 20.897 0.3 1 313 33 33 VAL CG2 C 20.397 0.3 1 314 33 33 VAL N N 124.941 0.3 1 315 34 34 GLY H H 8.514 0.020 1 316 34 34 GLY HA2 H 3.971 0.020 1 317 34 34 GLY HA3 H 3.971 0.020 1 318 34 34 GLY C C 174.352 0.3 1 319 34 34 GLY CA C 45.168 0.3 1 320 34 34 GLY N N 113.145 0.3 1 321 35 35 GLY H H 8.274 0.020 1 322 35 35 GLY HA2 H 3.971 0.020 1 323 35 35 GLY HA3 H 3.971 0.020 1 324 35 35 GLY C C 174.192 0.3 1 325 35 35 GLY CA C 45.330 0.3 1 326 35 35 GLY N N 108.658 0.3 1 327 36 36 LEU H H 8.285 0.020 1 328 36 36 LEU HA H 4.362 0.020 1 329 36 36 LEU HB2 H 1.602 0.020 1 330 36 36 LEU HB3 H 1.602 0.020 1 331 36 36 LEU HG H 1.585 0.020 1 332 36 36 LEU HD1 H 0.784 0.020 2 333 36 36 LEU HD2 H 0.739 0.020 2 334 36 36 LEU C C 177.479 0.3 1 335 36 36 LEU CA C 55.110 0.3 1 336 36 36 LEU CB C 42.426 0.3 1 337 36 36 LEU CG C 26.738 0.3 1 338 36 36 LEU CD1 C 24.661 0.3 1 339 36 36 LEU CD2 C 23.255 0.3 1 340 36 36 LEU N N 121.324 0.3 1 341 37 37 GLY H H 8.337 0.020 1 342 37 37 GLY HA2 H 3.936 0.020 2 343 37 37 GLY HA3 H 3.845 0.020 2 344 37 37 GLY C C 173.667 0.3 1 345 37 37 GLY CA C 45.497 0.3 1 346 37 37 GLY N N 109.006 0.3 1 347 38 38 VAL H H 7.749 0.020 1 348 38 38 VAL HA H 4.103 0.020 1 349 38 38 VAL HB H 1.969 0.020 1 350 38 38 VAL HG1 H 0.773 0.020 2 351 38 38 VAL HG2 H 0.725 0.020 2 352 38 38 VAL C C 175.219 0.3 1 353 38 38 VAL CA C 62.203 0.3 1 354 38 38 VAL CB C 32.329 0.3 1 355 38 38 VAL CG1 C 20.834 0.3 1 356 38 38 VAL CG2 C 19.897 0.3 1 357 38 38 VAL N N 118.625 0.3 1 358 39 39 TYR HA H 4.562 0.020 1 359 39 39 TYR HB2 H 2.886 0.020 2 360 39 39 TYR HB3 H 2.819 0.020 2 361 39 39 TYR HD1 H 6.789 0.020 1 362 39 39 TYR HD2 H 6.789 0.020 1 363 39 39 TYR HE1 H 6.557 0.020 1 364 39 39 TYR HE2 H 6.557 0.020 1 365 39 39 TYR C C 175.219 0.3 1 366 39 39 TYR CA C 57.430 0.3 1 367 39 39 TYR CB C 40.006 0.3 1 368 40 40 MET H H 8.855 0.020 1 369 40 40 MET HA H 4.528 0.020 1 370 40 40 MET HB2 H 1.594 0.020 2 371 40 40 MET HB3 H 0.906 0.020 2 372 40 40 MET HG2 H 2.252 0.020 1 373 40 40 MET HG3 H 2.252 0.020 1 374 40 40 MET HE H 2.026 0.020 1 375 40 40 MET C C 172.982 0.3 1 376 40 40 MET CA C 53.563 0.3 1 377 40 40 MET CB C 34.165 0.3 1 378 40 40 MET CG C 32.079 0.3 1 379 40 40 MET CE C 17.059 0.3 1 380 40 40 MET N N 120.724 0.3 1 381 41 41 LEU H H 8.060 0.020 1 382 41 41 LEU HA H 4.480 0.020 1 383 41 41 LEU HB2 H 1.617 0.020 2 384 41 41 LEU HB3 H 0.985 0.020 2 385 41 41 LEU HG H 1.392 0.020 1 386 41 41 LEU HD1 H 0.631 0.020 2 387 41 41 LEU HD2 H 0.006 0.020 2 388 41 41 LEU C C 177.982 0.3 1 389 41 41 LEU CA C 53.244 0.3 1 390 41 41 LEU CB C 43.511 0.3 1 391 41 41 LEU CG C 25.832 0.3 1 392 41 41 LEU CD1 C 25.536 0.3 1 393 41 41 LEU CD2 C 21.693 0.3 1 394 41 41 LEU N N 121.461 0.3 1 395 42 42 GLY H H 9.323 0.020 1 396 42 42 GLY HA2 H 4.431 0.020 2 397 42 42 GLY HA3 H 3.999 0.020 2 398 42 42 GLY C C 172.640 0.3 1 399 42 42 GLY CA C 44.667 0.3 1 400 42 42 GLY N N 114.946 0.3 1 401 43 43 SER H H 8.395 0.020 1 402 43 43 SER HA H 4.377 0.020 1 403 43 43 SER HB2 H 3.988 0.020 2 404 43 43 SER HB3 H 3.918 0.020 2 405 43 43 SER C C 175.037 0.3 1 406 43 43 SER CA C 58.448 0.3 1 407 43 43 SER CB C 63.872 0.3 1 408 43 43 SER N N 113.654 0.3 1 409 44 44 ALA H H 8.777 0.020 1 410 44 44 ALA HA H 4.447 0.020 1 411 44 44 ALA HB H 1.302 0.020 1 412 44 44 ALA C C 177.274 0.3 1 413 44 44 ALA CA C 52.929 0.3 1 414 44 44 ALA CB C 18.215 0.3 1 415 44 44 ALA N N 125.667 0.3 1 416 45 45 MET H H 8.698 0.020 1 417 45 45 MET HA H 4.754 0.020 1 418 45 45 MET HB2 H 2.034 0.020 2 419 45 45 MET HB3 H 2.007 0.020 2 420 45 45 MET HG2 H 2.476 0.020 2 421 45 45 MET HG3 H 2.422 0.020 2 422 45 45 MET HE H 2.168 0.020 1 423 45 45 MET C C 175.379 0.3 1 424 45 45 MET CA C 53.858 0.3 1 425 45 45 MET CB C 36.668 0.3 1 426 45 45 MET CG C 30.752 0.3 1 427 45 45 MET CE C 17.372 0.3 1 428 45 45 MET N N 120.684 0.3 1 429 46 46 SER H H 8.432 0.020 1 430 46 46 SER HA H 4.381 0.020 1 431 46 46 SER HB2 H 3.845 0.020 2 432 46 46 SER HB3 H 3.761 0.020 2 433 46 46 SER C C 174.329 0.3 1 434 46 46 SER CA C 58.563 0.3 1 435 46 46 SER CB C 62.942 0.3 1 436 46 46 SER N N 116.260 0.3 1 437 47 47 ARG H H 8.649 0.020 1 438 47 47 ARG HA H 4.421 0.020 1 439 47 47 ARG HB2 H 1.732 0.020 1 440 47 47 ARG HB3 H 1.732 0.020 1 441 47 47 ARG HG2 H 2.050 0.020 2 442 47 47 ARG HG3 H 1.834 0.020 2 443 47 47 ARG HD2 H 3.156 0.020 2 444 47 47 ARG HD3 H 3.071 0.020 2 445 47 47 ARG HE H 6.699 0.020 1 446 47 47 ARG C C 174.535 0.3 1 447 47 47 ARG CA C 54.848 0.3 1 448 47 47 ARG CB C 29.480 0.3 1 449 47 47 ARG CG C 28.721 0.3 1 450 47 47 ARG CD C 43.326 0.3 1 451 47 47 ARG N N 126.473 0.3 1 452 47 47 ARG NE N 85.678 0.3 1 453 48 48 PRO HA H 4.440 0.020 1 454 48 48 PRO HB2 H 2.272 0.020 2 455 48 48 PRO HB3 H 1.773 0.020 2 456 48 48 PRO HG2 H 2.044 0.020 2 457 48 48 PRO HG3 H 1.998 0.020 2 458 48 48 PRO HD2 H 3.847 0.020 2 459 48 48 PRO HD3 H 3.625 0.020 2 460 48 48 PRO C C 175.562 0.3 1 461 48 48 PRO CA C 62.286 0.3 1 462 48 48 PRO CB C 32.240 0.3 1 463 48 48 PRO CG C 27.262 0.3 1 464 48 48 PRO CD C 50.908 0.3 1 465 49 49 ILE H H 8.639 0.020 1 466 49 49 ILE HA H 4.144 0.020 1 467 49 49 ILE HB H 1.921 0.020 1 468 49 49 ILE HG12 H 1.591 0.020 2 469 49 49 ILE HG13 H 1.381 0.020 2 470 49 49 ILE HG2 H 0.745 0.020 1 471 49 49 ILE HD1 H 0.904 0.020 1 472 49 49 ILE C C 175.037 0.3 1 473 49 49 ILE CA C 60.951 0.3 1 474 49 49 ILE CB C 36.084 0.3 1 475 49 49 ILE CG1 C 26.828 0.3 1 476 49 49 ILE CG2 C 17.416 0.3 1 477 49 49 ILE CD1 C 11.316 0.3 1 478 49 49 ILE N N 122.527 0.3 1 479 50 50 ILE H H 6.465 0.020 1 480 50 50 ILE HA H 3.928 0.020 1 481 50 50 ILE HB H 0.874 0.020 1 482 50 50 ILE HG12 H 0.922 0.020 2 483 50 50 ILE HG13 H 0.783 0.020 2 484 50 50 ILE HG2 H -0.045 0.020 1 485 50 50 ILE HD1 H 0.477 0.020 1 486 50 50 ILE C C 173.142 0.3 1 487 50 50 ILE CA C 58.633 0.3 1 488 50 50 ILE CB C 39.160 0.3 1 489 50 50 ILE CG1 C 26.379 0.3 1 490 50 50 ILE CG2 C 17.007 0.3 1 491 50 50 ILE CD1 C 12.405 0.3 1 492 50 50 ILE N N 126.876 0.3 1 493 51 51 HIS H H 8.241 0.020 1 494 51 51 HIS HA H 4.932 0.020 1 495 51 51 HIS HB2 H 3.306 0.020 2 496 51 51 HIS HB3 H 2.957 0.020 2 497 51 51 HIS HD2 H 7.312 0.020 1 498 51 51 HIS C C 174.535 0.3 1 499 51 51 HIS CA C 54.063 0.3 1 500 51 51 HIS CB C 29.158 0.3 1 501 51 51 HIS N N 122.038 0.3 1 502 52 52 PHE H H 10.183 0.020 1 503 52 52 PHE HA H 4.362 0.020 1 504 52 52 PHE HB2 H 3.344 0.020 2 505 52 52 PHE HB3 H 2.794 0.020 2 506 52 52 PHE HD1 H 7.370 0.020 1 507 52 52 PHE HD2 H 7.370 0.020 1 508 52 52 PHE HE1 H 6.905 0.020 1 509 52 52 PHE HE2 H 6.905 0.020 1 510 52 52 PHE HZ H 6.731 0.020 1 511 52 52 PHE C C 176.589 0.3 1 512 52 52 PHE CA C 59.270 0.3 1 513 52 52 PHE CB C 41.246 0.3 1 514 52 52 PHE N N 123.980 0.3 1 515 53 53 GLY H H 8.998 0.020 1 516 53 53 GLY HA2 H 4.175 0.020 2 517 53 53 GLY HA3 H 3.836 0.020 2 518 53 53 GLY C C 173.325 0.3 1 519 53 53 GLY CA C 45.669 0.3 1 520 53 53 GLY N N 108.504 0.3 1 521 54 54 SER H H 7.287 0.020 1 522 54 54 SER HA H 4.821 0.020 1 523 54 54 SER HB2 H 4.149 0.020 2 524 54 54 SER HB3 H 3.942 0.020 2 525 54 54 SER C C 173.827 0.3 1 526 54 54 SER CA C 56.596 0.3 1 527 54 54 SER CB C 65.791 0.3 1 528 54 54 SER N N 111.734 0.3 1 529 55 55 ASP H H 9.044 0.020 1 530 55 55 ASP HA H 4.522 0.020 1 531 55 55 ASP HB2 H 2.761 0.020 1 532 55 55 ASP HB3 H 2.761 0.020 1 533 55 55 ASP C C 178.461 0.3 1 534 55 55 ASP CA C 57.563 0.3 1 535 55 55 ASP CB C 40.412 0.3 1 536 55 55 ASP N N 124.529 0.3 1 537 56 56 TYR H H 8.571 0.020 1 538 56 56 TYR HA H 4.203 0.020 1 539 56 56 TYR HB2 H 3.269 0.020 2 540 56 56 TYR HB3 H 2.855 0.020 2 541 56 56 TYR HD1 H 7.008 0.020 1 542 56 56 TYR HD2 H 7.008 0.020 1 543 56 56 TYR HE1 H 6.781 0.020 1 544 56 56 TYR HE2 H 6.781 0.020 1 545 56 56 TYR C C 177.799 0.3 1 546 56 56 TYR CA C 61.452 0.3 1 547 56 56 TYR CB C 37.920 0.3 1 548 56 56 TYR N N 118.907 0.3 1 549 57 57 GLU H H 7.707 0.020 1 550 57 57 GLU HA H 3.603 0.020 1 551 57 57 GLU HB2 H 1.975 0.020 2 552 57 57 GLU HB3 H 1.569 0.020 2 553 57 57 GLU HG2 H 2.273 0.020 2 554 57 57 GLU HG3 H 1.927 0.020 2 555 57 57 GLU C C 177.434 0.3 1 556 57 57 GLU CA C 59.763 0.3 1 557 57 57 GLU CB C 29.826 0.3 1 558 57 57 GLU CG C 37.514 0.3 1 559 57 57 GLU N N 119.084 0.3 1 560 58 58 ASP H H 8.181 0.020 1 561 58 58 ASP HA H 4.668 0.020 1 562 58 58 ASP HB2 H 3.043 0.020 2 563 58 58 ASP HB3 H 2.889 0.020 2 564 58 58 ASP C C 179.169 0.3 1 565 58 58 ASP CA C 58.363 0.3 1 566 58 58 ASP CB C 40.161 0.3 1 567 58 58 ASP N N 119.842 0.3 1 568 59 59 ARG H H 8.207 0.020 1 569 59 59 ARG HA H 4.014 0.020 1 570 59 59 ARG HB2 H 1.918 0.020 1 571 59 59 ARG HB3 H 1.918 0.020 1 572 59 59 ARG HG2 H 1.760 0.020 2 573 59 59 ARG HG3 H 1.548 0.020 2 574 59 59 ARG HD2 H 3.247 0.020 2 575 59 59 ARG HD3 H 3.211 0.020 2 576 59 59 ARG HE H 7.451 0.020 1 577 59 59 ARG C C 177.639 0.3 1 578 59 59 ARG CA C 59.604 0.3 1 579 59 59 ARG CB C 29.814 0.3 1 580 59 59 ARG CG C 27.806 0.3 1 581 59 59 ARG CD C 43.419 0.3 1 582 59 59 ARG N N 120.363 0.3 1 583 59 59 ARG NE N 85.129 0.3 1 584 60 60 TYR H H 8.296 0.020 1 585 60 60 TYR HA H 3.845 0.020 1 586 60 60 TYR HB2 H 2.861 0.020 2 587 60 60 TYR HB3 H 2.619 0.020 2 588 60 60 TYR HD1 H 6.895 0.020 1 589 60 60 TYR HD2 H 6.895 0.020 1 590 60 60 TYR HE1 H 6.822 0.020 1 591 60 60 TYR HE2 H 6.822 0.020 1 592 60 60 TYR C C 179.511 0.3 1 593 60 60 TYR CA C 62.229 0.3 1 594 60 60 TYR CB C 37.908 0.3 1 595 60 60 TYR N N 121.389 0.3 1 596 61 61 TYR H H 8.954 0.020 1 597 61 61 TYR HA H 4.136 0.020 1 598 61 61 TYR HB2 H 3.534 0.020 2 599 61 61 TYR HB3 H 3.273 0.020 2 600 61 61 TYR HD1 H 7.546 0.020 1 601 61 61 TYR HD2 H 7.546 0.020 1 602 61 61 TYR HE1 H 6.892 0.020 1 603 61 61 TYR HE2 H 6.892 0.020 1 604 61 61 TYR C C 176.932 0.3 1 605 61 61 TYR CA C 62.863 0.3 1 606 61 61 TYR CB C 37.933 0.3 1 607 61 61 TYR N N 120.617 0.3 1 608 62 62 ARG H H 7.974 0.020 1 609 62 62 ARG HA H 3.939 0.020 1 610 62 62 ARG HB2 H 2.082 0.020 2 611 62 62 ARG HB3 H 1.975 0.020 2 612 62 62 ARG HG2 H 2.025 0.020 2 613 62 62 ARG HG3 H 1.748 0.020 2 614 62 62 ARG HD2 H 3.395 0.020 2 615 62 62 ARG HD3 H 3.298 0.020 2 616 62 62 ARG HE H 7.469 0.020 1 617 62 62 ARG C C 179.511 0.3 1 618 62 62 ARG CA C 59.950 0.3 1 619 62 62 ARG CB C 29.826 0.3 1 620 62 62 ARG CG C 28.073 0.3 1 621 62 62 ARG CD C 43.241 0.3 1 622 62 62 ARG N N 117.984 0.3 1 623 62 62 ARG NE N 84.188 0.3 1 624 63 63 GLU H H 8.052 0.020 1 625 63 63 GLU HA H 4.082 0.020 1 626 63 63 GLU HB2 H 1.901 0.020 1 627 63 63 GLU HB3 H 1.901 0.020 1 628 63 63 GLU HG2 H 2.436 0.020 2 629 63 63 GLU HG3 H 2.228 0.020 2 630 63 63 GLU C C 177.274 0.3 1 631 63 63 GLU CA C 58.063 0.3 1 632 63 63 GLU CB C 29.484 0.3 1 633 63 63 GLU CG C 35.618 0.3 1 634 63 63 GLU N N 116.645 0.3 1 635 64 64 ASN H H 7.592 0.020 1 636 64 64 ASN HA H 4.278 0.020 1 637 64 64 ASN HB2 H 2.169 0.020 1 638 64 64 ASN HB3 H 2.169 0.020 1 639 64 64 ASN HD21 H 6.688 0.020 1 640 64 64 ASN HD22 H 6.578 0.020 1 641 64 64 ASN C C 175.379 0.3 1 642 64 64 ASN CA C 54.863 0.3 1 643 64 64 ASN CB C 41.008 0.3 1 644 64 64 ASN N N 114.703 0.3 1 645 64 64 ASN ND2 N 117.086 0.3 1 646 65 65 MET H H 8.100 0.020 1 647 65 65 MET HA H 3.463 0.020 1 648 65 65 MET HB2 H 1.652 0.020 2 649 65 65 MET HB3 H 1.319 0.020 2 650 65 65 MET HG2 H 2.561 0.020 2 651 65 65 MET HG3 H 2.136 0.020 2 652 65 65 MET HE H 2.026 0.020 1 653 65 65 MET C C 176.407 0.3 1 654 65 65 MET CA C 59.216 0.3 1 655 65 65 MET CB C 29.802 0.3 1 656 65 65 MET CG C 30.529 0.3 1 657 65 65 MET CE C 17.377 0.3 1 658 65 65 MET N N 119.702 0.3 1 659 66 66 HIS H H 8.062 0.020 1 660 66 66 HIS HA H 4.236 0.020 1 661 66 66 HIS HB2 H 3.312 0.020 2 662 66 66 HIS HB3 H 3.067 0.020 2 663 66 66 HIS HD2 H 7.327 0.020 1 664 66 66 HIS C C 174.877 0.3 1 665 66 66 HIS CA C 57.563 0.3 1 666 66 66 HIS CB C 27.311 0.3 1 667 66 66 HIS N N 115.088 0.3 1 668 67 67 ARG H H 7.589 0.020 1 669 67 67 ARG HA H 4.133 0.020 1 670 67 67 ARG HB2 H 2.102 0.020 2 671 67 67 ARG HB3 H 1.419 0.020 2 672 67 67 ARG HG2 H 1.383 0.020 2 673 67 67 ARG HG3 H 0.335 0.020 2 674 67 67 ARG HD2 H 3.244 0.020 2 675 67 67 ARG HD3 H 3.093 0.020 2 676 67 67 ARG HE H 7.372 0.020 1 677 67 67 ARG C C 176.407 0.3 1 678 67 67 ARG CA C 56.196 0.3 1 679 67 67 ARG CB C 30.410 0.3 1 680 67 67 ARG CG C 26.822 0.3 1 681 67 67 ARG CD C 43.961 0.3 1 682 67 67 ARG N N 118.188 0.3 1 683 67 67 ARG NE N 84.100 0.3 1 684 68 68 TYR H H 7.461 0.020 1 685 68 68 TYR HA H 5.035 0.020 1 686 68 68 TYR HB2 H 3.127 0.020 1 687 68 68 TYR HB3 H 3.127 0.020 1 688 68 68 TYR HD1 H 6.822 0.020 1 689 68 68 TYR HD2 H 6.822 0.020 1 690 68 68 TYR HE1 H 6.572 0.020 1 691 68 68 TYR HE2 H 6.572 0.020 1 692 68 68 TYR C C 172.800 0.3 1 693 68 68 TYR CA C 52.696 0.3 1 694 68 68 TYR CB C 34.833 0.3 1 695 68 68 TYR N N 120.928 0.3 1 696 69 69 PRO HA H 4.414 0.020 1 697 69 69 PRO HB2 H 2.478 0.020 2 698 69 69 PRO HB3 H 1.687 0.020 2 699 69 69 PRO HG2 H 1.561 0.020 2 700 69 69 PRO HG3 H 1.411 0.020 2 701 69 69 PRO HD2 H 3.319 0.020 2 702 69 69 PRO HD3 H 3.128 0.020 2 703 69 69 PRO C C 174.877 0.3 1 704 69 69 PRO CA C 63.538 0.3 1 705 69 69 PRO CB C 32.240 0.3 1 706 69 69 PRO CG C 27.028 0.3 1 707 69 69 PRO CD C 49.975 0.3 1 708 70 70 ASN H H 8.556 0.020 1 709 70 70 ASN HA H 4.734 0.020 1 710 70 70 ASN HB2 H 3.661 0.020 2 711 70 70 ASN HB3 H 2.469 0.020 2 712 70 70 ASN HD21 H 7.465 0.020 1 713 70 70 ASN HD22 H 6.766 0.020 1 714 70 70 ASN C C 172.800 0.3 1 715 70 70 ASN CA C 51.939 0.3 1 716 70 70 ASN CB C 38.254 0.3 1 717 70 70 ASN N N 116.386 0.3 1 718 70 70 ASN ND2 N 109.193 0.3 1 719 71 71 GLN H H 7.259 0.020 1 720 71 71 GLN HA H 4.553 0.020 1 721 71 71 GLN HB2 H 1.976 0.020 2 722 71 71 GLN HB3 H 1.718 0.020 2 723 71 71 GLN HG2 H 2.194 0.020 1 724 71 71 GLN HG3 H 2.194 0.020 1 725 71 71 GLN HE21 H 7.889 0.020 1 726 71 71 GLN HE22 H 6.974 0.020 1 727 71 71 GLN C C 174.694 0.3 1 728 71 71 GLN CA C 54.063 0.3 1 729 71 71 GLN CB C 33.247 0.3 1 730 71 71 GLN CG C 33.831 0.3 1 731 71 71 GLN N N 113.864 0.3 1 732 71 71 GLN NE2 N 112.624 0.3 1 733 72 72 VAL H H 8.521 0.020 1 734 72 72 VAL HA H 4.921 0.020 1 735 72 72 VAL HB H 2.619 0.020 1 736 72 72 VAL HG1 H 0.970 0.020 2 737 72 72 VAL HG2 H 0.773 0.020 2 738 72 72 VAL C C 173.827 0.3 1 739 72 72 VAL CA C 58.696 0.3 1 740 72 72 VAL CB C 33.569 0.3 1 741 72 72 VAL CG1 C 23.456 0.3 1 742 72 72 VAL CG2 C 18.330 0.3 1 743 72 72 VAL N N 112.853 0.3 1 744 73 73 TYR H H 8.500 0.020 1 745 73 73 TYR HA H 5.531 0.020 1 746 73 73 TYR HB2 H 2.585 0.020 2 747 73 73 TYR HB3 H 2.521 0.020 2 748 73 73 TYR HD1 H 6.897 0.020 1 749 73 73 TYR HD2 H 6.897 0.020 1 750 73 73 TYR HE1 H 6.786 0.020 1 751 73 73 TYR HE2 H 6.786 0.020 1 752 73 73 TYR C C 174.192 0.3 1 753 73 73 TYR CA C 56.863 0.3 1 754 73 73 TYR CB C 41.914 0.3 1 755 73 73 TYR N N 121.317 0.3 1 756 74 74 TYR H H 8.582 0.020 1 757 74 74 TYR HA H 4.750 0.020 1 758 74 74 TYR HB2 H 2.709 0.020 2 759 74 74 TYR HB3 H 2.620 0.020 2 760 74 74 TYR HD1 H 6.892 0.020 1 761 74 74 TYR HD2 H 6.892 0.020 1 762 74 74 TYR HE1 H 6.456 0.020 1 763 74 74 TYR HE2 H 6.456 0.020 1 764 74 74 TYR C C 172.982 0.3 1 765 74 74 TYR CA C 55.521 0.3 1 766 74 74 TYR CB C 40.368 0.3 1 767 74 74 TYR N N 111.011 0.3 1 768 76 76 PRO HA H 4.537 0.020 1 769 76 76 PRO HB2 H 2.316 0.020 2 770 76 76 PRO HB3 H 1.921 0.020 2 771 76 76 PRO HG2 H 2.110 0.020 2 772 76 76 PRO HG3 H 1.914 0.020 2 773 76 76 PRO HD2 H 3.574 0.020 1 774 76 76 PRO HD3 H 3.574 0.020 1 775 76 76 PRO C C 177.091 0.3 1 776 76 76 PRO CA C 63.139 0.3 1 777 76 76 PRO CB C 32.549 0.3 1 778 76 76 PRO CG C 28.019 0.3 1 779 76 76 PRO CD C 50.433 0.3 1 780 77 77 MET H H 8.903 0.020 1 781 77 77 MET HA H 4.479 0.020 1 782 77 77 MET HB2 H 2.348 0.020 1 783 77 77 MET HB3 H 2.348 0.020 1 784 77 77 MET HG2 H 1.840 0.020 2 785 77 77 MET HG3 H 1.748 0.020 2 786 77 77 MET HE H 1.632 0.020 1 787 77 77 MET C C 176.589 0.3 1 788 77 77 MET CA C 56.993 0.3 1 789 77 77 MET CB C 31.924 0.3 1 790 77 77 MET CG C 32.939 0.3 1 791 77 77 MET CE C 17.048 0.3 1 792 77 77 MET N N 120.823 0.3 1 793 78 78 ASP H H 8.387 0.020 1 794 78 78 ASP HA H 4.494 0.020 1 795 78 78 ASP HB2 H 2.982 0.020 1 796 78 78 ASP HB3 H 2.982 0.020 1 797 78 78 ASP C C 174.192 0.3 1 798 78 78 ASP CA C 55.230 0.3 1 799 78 78 ASP CB C 39.144 0.3 1 800 78 78 ASP N N 118.827 0.3 1 801 79 79 GLU H H 8.427 0.020 1 802 79 79 GLU HA H 4.493 0.020 1 803 79 79 GLU CA C 53.879 0.3 1 804 79 79 GLU N N 117.057 0.3 1 805 82 82 ASN HA H 4.784 0.020 1 806 82 82 ASN HB2 H 3.068 0.020 1 807 82 82 ASN HB3 H 3.068 0.020 1 808 82 82 ASN C C 174.010 0.3 1 809 82 82 ASN CA C 52.189 0.3 1 810 82 82 ASN CB C 39.707 0.3 1 811 83 83 GLN H H 8.659 0.020 1 812 83 83 GLN HA H 2.820 0.020 1 813 83 83 GLN HB2 H 1.627 0.020 1 814 83 83 GLN HB3 H 1.627 0.020 1 815 83 83 GLN HG2 H 1.501 0.020 2 816 83 83 GLN HG3 H 1.210 0.020 2 817 83 83 GLN C C 176.749 0.3 1 818 83 83 GLN CA C 59.532 0.3 1 819 83 83 GLN CB C 28.825 0.3 1 820 83 83 GLN CG C 33.408 0.3 1 821 83 83 GLN N N 120.176 0.3 1 822 83 83 GLN NE2 N 113.753 0.3 1 823 84 84 ASN H H 8.349 0.020 1 824 84 84 ASN HA H 4.269 0.020 1 825 84 84 ASN HB2 H 2.761 0.020 2 826 84 84 ASN HB3 H 2.694 0.020 2 827 84 84 ASN HD21 H 7.590 0.020 1 828 84 84 ASN HD22 H 6.892 0.020 1 829 84 84 ASN C C 177.799 0.3 1 830 84 84 ASN CA C 56.563 0.3 1 831 84 84 ASN CB C 38.004 0.3 1 832 84 84 ASN N N 116.685 0.3 1 833 84 84 ASN ND2 N 112.686 0.3 1 834 85 85 ASN H H 8.674 0.020 1 835 85 85 ASN HA H 4.570 0.020 1 836 85 85 ASN HB2 H 3.044 0.020 2 837 85 85 ASN HB3 H 2.944 0.020 2 838 85 85 ASN HD21 H 7.662 0.020 1 839 85 85 ASN HD22 H 6.775 0.020 1 840 85 85 ASN C C 177.251 0.3 1 841 85 85 ASN CA C 55.944 0.3 1 842 85 85 ASN CB C 37.586 0.3 1 843 85 85 ASN N N 118.495 0.3 1 844 86 86 PHE C C 178.301 0.3 1 845 86 86 PHE CA C 60.996 0.3 1 846 87 87 VAL H H 8.968 0.020 1 847 87 87 VAL HA H 3.532 0.020 1 848 87 87 VAL HB H 2.241 0.020 1 849 87 87 VAL HG1 H 1.098 0.020 2 850 87 87 VAL HG2 H 1.048 0.020 2 851 87 87 VAL C C 176.749 0.3 1 852 87 87 VAL CA C 67.762 0.3 1 853 87 87 VAL CB C 31.662 0.3 1 854 87 87 VAL CG1 C 24.724 0.3 1 855 87 87 VAL CG2 C 21.757 0.3 1 856 87 87 VAL N N 120.478 0.3 1 857 88 88 HIS H H 8.319 0.020 1 858 88 88 HIS HA H 4.313 0.020 1 859 88 88 HIS HB2 H 3.404 0.020 2 860 88 88 HIS HB3 H 3.327 0.020 2 861 88 88 HIS CA C 59.463 0.3 1 862 88 88 HIS CB C 28.316 0.3 1 863 88 88 HIS N N 116.759 0.3 1 864 89 89 ASP H H 7.751 0.020 1 865 89 89 ASP HA H 4.567 0.020 1 866 89 89 ASP HB2 H 2.969 0.020 2 867 89 89 ASP HB3 H 2.765 0.020 2 868 89 89 ASP C C 175.904 0.3 1 869 89 89 ASP CA C 57.264 0.3 1 870 89 89 ASP CB C 40.833 0.3 1 871 89 89 ASP N N 118.646 0.3 1 872 90 90 CYS H H 8.073 0.020 1 873 90 90 CYS HA H 4.720 0.020 1 874 90 90 CYS HB2 H 3.353 0.020 2 875 90 90 CYS HB3 H 2.969 0.020 2 876 90 90 CYS C C 177.091 0.3 1 877 90 90 CYS CA C 58.563 0.3 1 878 90 90 CYS CB C 40.328 0.3 1 879 90 90 CYS N N 119.307 0.3 1 880 91 91 VAL H H 9.106 0.020 1 881 91 91 VAL HA H 3.650 0.020 1 882 91 91 VAL HB H 2.219 0.020 1 883 91 91 VAL HG1 H 1.093 0.020 2 884 91 91 VAL HG2 H 0.977 0.020 2 885 91 91 VAL C C 177.091 0.3 1 886 91 91 VAL CA C 66.113 0.3 1 887 91 91 VAL CB C 31.650 0.3 1 888 91 91 VAL CG1 C 22.733 0.3 1 889 91 91 VAL CG2 C 21.565 0.3 1 890 91 91 VAL N N 124.941 0.3 1 891 92 92 ASN H H 7.623 0.020 1 892 92 92 ASN HA H 4.326 0.020 1 893 92 92 ASN HB2 H 2.861 0.020 2 894 92 92 ASN HB3 H 2.786 0.020 2 895 92 92 ASN HD21 H 7.668 0.020 1 896 92 92 ASN HD22 H 7.102 0.020 1 897 92 92 ASN C C 178.301 0.3 1 898 92 92 ASN CA C 56.563 0.3 1 899 92 92 ASN CB C 38.588 0.3 1 900 92 92 ASN N N 116.317 0.3 1 901 92 92 ASN ND2 N 112.363 0.3 1 902 93 93 ILE H H 8.707 0.020 1 903 93 93 ILE HA H 3.728 0.020 1 904 93 93 ILE HB H 1.527 0.020 1 905 93 93 ILE HG12 H 0.914 0.020 2 906 93 93 ILE HG13 H 0.800 0.020 2 907 93 93 ILE HG2 H 0.253 0.020 1 908 93 93 ILE HD1 H 0.430 0.020 1 909 93 93 ILE C C 177.799 0.3 1 910 93 93 ILE CA C 62.563 0.3 1 911 93 93 ILE CB C 36.657 0.3 1 912 93 93 ILE CG1 C 27.456 0.3 1 913 93 93 ILE CG2 C 18.221 0.3 1 914 93 93 ILE CD1 C 11.773 0.3 1 915 93 93 ILE N N 118.615 0.3 1 916 94 94 THR H H 8.175 0.020 1 917 94 94 THR HA H 4.069 0.020 1 918 94 94 THR HB H 4.487 0.020 1 919 94 94 THR HG2 H 1.427 0.020 1 920 94 94 THR C C 177.274 0.3 1 921 94 94 THR CA C 68.829 0.3 1 922 94 94 THR CB C 67.960 0.3 1 923 94 94 THR CG2 C 21.194 0.3 1 924 94 94 THR N N 118.008 0.3 1 925 95 95 ILE H H 8.519 0.020 1 926 95 95 ILE HA H 3.709 0.020 1 927 95 95 ILE HB H 2.106 0.020 1 928 95 95 ILE HG12 H 1.831 0.020 2 929 95 95 ILE HG13 H 1.229 0.020 2 930 95 95 ILE HG2 H 0.889 0.020 1 931 95 95 ILE HD1 H 0.776 0.020 1 932 95 95 ILE C C 178.826 0.3 1 933 95 95 ILE CA C 65.596 0.3 1 934 95 95 ILE CB C 36.585 0.3 1 935 95 95 ILE CG1 C 29.601 0.3 1 936 95 95 ILE CG2 C 16.715 0.3 1 937 95 95 ILE CD1 C 12.887 0.3 1 938 95 95 ILE N N 120.812 0.3 1 939 96 96 LYS HA H 4.085 0.020 1 940 96 96 LYS HB2 H 1.914 0.020 2 941 96 96 LYS HB3 H 1.863 0.020 2 942 96 96 LYS HG2 H 1.486 0.020 2 943 96 96 LYS HG3 H 1.386 0.020 2 944 96 96 LYS HD2 H 1.610 0.020 1 945 96 96 LYS HD3 H 1.610 0.020 1 946 96 96 LYS HE2 H 2.921 0.020 1 947 96 96 LYS HE3 H 2.921 0.020 1 948 96 96 LYS C C 178.826 0.3 1 949 96 96 LYS CA C 59.963 0.3 1 950 96 96 LYS CB C 31.959 0.3 1 951 96 96 LYS CG C 24.895 0.3 1 952 96 96 LYS CD C 28.725 0.3 1 953 96 96 LYS CE C 41.901 0.3 1 954 97 97 GLN H H 8.334 0.020 1 955 97 97 GLN HA H 4.053 0.020 1 956 97 97 GLN HB2 H 1.978 0.020 2 957 97 97 GLN HB3 H 1.864 0.020 2 958 97 97 GLN HG2 H 2.070 0.020 2 959 97 97 GLN HG3 H 1.553 0.020 2 960 97 97 GLN HE21 H 6.690 0.020 1 961 97 97 GLN HE22 H 6.674 0.020 1 962 97 97 GLN C C 177.959 0.3 1 963 97 97 GLN CA C 57.696 0.3 1 964 97 97 GLN CB C 27.907 0.3 1 965 97 97 GLN CG C 33.247 0.3 1 966 97 97 GLN N N 116.498 0.3 1 967 97 97 GLN NE2 N 110.050 0.3 1 968 98 98 HIS H H 8.158 0.020 1 969 98 98 HIS HA H 4.603 0.020 1 970 98 98 HIS HB2 H 3.331 0.020 2 971 98 98 HIS HB3 H 3.269 0.020 2 972 98 98 HIS HD2 H 7.123 0.020 1 973 98 98 HIS C C 176.932 0.3 1 974 98 98 HIS CA C 58.830 0.3 1 975 98 98 HIS CB C 30.410 0.3 1 976 98 98 HIS N N 117.977 0.3 1 977 99 99 THR H H 8.230 0.020 1 978 99 99 THR HA H 4.186 0.020 1 979 99 99 THR HB H 4.450 0.020 1 980 99 99 THR HG2 H 1.210 0.020 1 981 99 99 THR C C 175.722 0.3 1 982 99 99 THR CA C 65.229 0.3 1 983 99 99 THR CB C 68.962 0.3 1 984 99 99 THR CG2 C 20.994 0.3 1 985 99 99 THR N N 113.928 0.3 1 986 100 100 VAL H H 7.986 0.020 1 987 100 100 VAL HA H 4.003 0.020 1 988 100 100 VAL HB H 2.219 0.020 1 989 100 100 VAL HG1 H 1.034 0.020 2 990 100 100 VAL HG2 H 0.959 0.020 2 991 100 100 VAL C C 177.616 0.3 1 992 100 100 VAL CA C 65.074 0.3 1 993 100 100 VAL CB C 31.996 0.3 1 994 100 100 VAL CG1 C 20.994 0.3 1 995 100 100 VAL CG2 C 20.760 0.3 1 996 100 100 VAL N N 122.179 0.3 1 997 101 101 THR H H 8.065 0.020 1 998 101 101 THR HA H 4.239 0.020 1 999 101 101 THR HB H 4.293 0.020 1 1000 101 101 THR HG2 H 1.212 0.020 1 1001 101 101 THR C C 175.904 0.3 1 1002 101 101 THR CA C 64.163 0.3 1 1003 101 101 THR CB C 69.230 0.3 1 1004 101 101 THR CG2 C 21.539 0.3 1 1005 101 101 THR N N 115.178 0.3 1 1006 102 102 THR H H 8.000 0.020 1 1007 102 102 THR HA H 4.218 0.020 1 1008 102 102 THR HB H 4.178 0.020 1 1009 102 102 THR HG2 H 0.986 0.020 1 1010 102 102 THR C C 176.064 0.3 1 1011 102 102 THR CA C 64.029 0.3 1 1012 102 102 THR CB C 69.045 0.3 1 1013 102 102 THR CG2 C 20.994 0.3 1 1014 102 102 THR N N 114.885 0.3 1 1015 103 103 THR H H 8.176 0.020 1 1016 103 103 THR HA H 4.391 0.020 1 1017 103 103 THR HB H 4.377 0.020 1 1018 103 103 THR HG2 H 1.289 0.020 1 1019 103 103 THR C C 176.658 0.3 1 1020 103 103 THR CA C 64.122 0.3 1 1021 103 103 THR CB C 69.062 0.3 1 1022 103 103 THR CG2 C 20.994 0.3 1 1023 103 103 THR N N 116.779 0.3 1 1024 104 104 THR H H 7.919 0.020 1 1025 104 104 THR HA H 4.253 0.020 1 1026 104 104 THR HB H 4.307 0.020 1 1027 104 104 THR HG2 H 1.285 0.020 1 1028 104 104 THR C C 174.877 0.3 1 1029 104 104 THR CA C 63.829 0.3 1 1030 104 104 THR CB C 69.045 0.3 1 1031 104 104 THR CG2 C 21.539 0.3 1 1032 104 104 THR N N 116.175 0.3 1 1033 105 105 LYS H H 7.810 0.020 1 1034 105 105 LYS HA H 4.365 0.020 1 1035 105 105 LYS HB2 H 1.970 0.020 2 1036 105 105 LYS HB3 H 1.864 0.020 2 1037 105 105 LYS HG2 H 1.530 0.020 2 1038 105 105 LYS HG3 H 1.470 0.020 2 1039 105 105 LYS HD2 H 1.697 0.020 1 1040 105 105 LYS HD3 H 1.697 0.020 1 1041 105 105 LYS HE2 H 2.935 0.020 1 1042 105 105 LYS HE3 H 2.935 0.020 1 1043 105 105 LYS C C 176.749 0.3 1 1044 105 105 LYS CA C 56.445 0.3 1 1045 105 105 LYS CB C 32.329 0.3 1 1046 105 105 LYS CG C 24.495 0.3 1 1047 105 105 LYS CD C 28.617 0.3 1 1048 105 105 LYS CE C 42.041 0.3 1 1049 105 105 LYS N N 121.033 0.3 1 1050 106 106 GLY H H 8.098 0.020 1 1051 106 106 GLY HA2 H 4.096 0.020 2 1052 106 106 GLY HA3 H 3.839 0.020 2 1053 106 106 GLY C C 174.010 0.3 1 1054 106 106 GLY CA C 45.463 0.3 1 1055 106 106 GLY N N 108.930 0.3 1 1056 107 107 GLU H H 7.686 0.020 1 1057 107 107 GLU HA H 4.276 0.020 1 1058 107 107 GLU HB2 H 1.661 0.020 1 1059 107 107 GLU HB3 H 1.661 0.020 1 1060 107 107 GLU HG2 H 2.119 0.020 2 1061 107 107 GLU HG3 H 2.058 0.020 2 1062 107 107 GLU C C 175.037 0.3 1 1063 107 107 GLU CA C 55.694 0.3 1 1064 107 107 GLU CB C 30.744 0.3 1 1065 107 107 GLU CG C 35.618 0.3 1 1066 107 107 GLU N N 119.969 0.3 1 1067 108 108 ASN H H 8.450 0.020 1 1068 108 108 ASN HA H 4.683 0.020 1 1069 108 108 ASN HB2 H 2.710 0.020 2 1070 108 108 ASN HB3 H 2.631 0.020 2 1071 108 108 ASN HD21 H 7.529 0.020 1 1072 108 108 ASN HD22 H 6.805 0.020 1 1073 108 108 ASN C C 173.827 0.3 1 1074 108 108 ASN CA C 52.857 0.3 1 1075 108 108 ASN CB C 40.090 0.3 1 1076 108 108 ASN N N 119.663 0.3 1 1077 108 108 ASN ND2 N 113.142 0.3 1 1078 109 109 PHE H H 8.664 0.020 1 1079 109 109 PHE HA H 5.283 0.020 1 1080 109 109 PHE HB2 H 3.186 0.020 2 1081 109 109 PHE HB3 H 2.982 0.020 2 1082 109 109 PHE HD1 H 7.328 0.020 1 1083 109 109 PHE HD2 H 7.328 0.020 1 1084 109 109 PHE C C 176.589 0.3 1 1085 109 109 PHE CA C 56.695 0.3 1 1086 109 109 PHE CB C 39.830 0.3 1 1087 109 109 PHE N N 121.980 0.3 1 1088 110 110 THR H H 9.487 0.020 1 1089 110 110 THR HA H 4.628 0.020 1 1090 110 110 THR HB H 4.845 0.020 1 1091 110 110 THR HG2 H 1.436 0.020 1 1092 110 110 THR C C 175.219 0.3 1 1093 110 110 THR CA C 60.439 0.3 1 1094 110 110 THR CB C 72.038 0.3 1 1095 110 110 THR CG2 C 20.994 0.3 1 1096 110 110 THR N N 116.155 0.3 1 1097 111 111 GLU H H 9.109 0.020 1 1098 111 111 GLU HA H 4.095 0.020 1 1099 111 111 GLU HB2 H 2.141 0.020 2 1100 111 111 GLU HB3 H 2.079 0.020 2 1101 111 111 GLU HG2 H 2.444 0.020 2 1102 111 111 GLU HG3 H 2.361 0.020 2 1103 111 111 GLU C C 178.986 0.3 1 1104 111 111 GLU CA C 59.854 0.3 1 1105 111 111 GLU CB C 28.562 0.3 1 1106 111 111 GLU CG C 35.618 0.3 1 1107 111 111 GLU N N 119.908 0.3 1 1108 112 112 THR H H 7.940 0.020 1 1109 112 112 THR HA H 3.810 0.020 1 1110 112 112 THR HB H 3.738 0.020 1 1111 112 112 THR HG2 H 0.716 0.020 1 1112 112 112 THR C C 175.402 0.3 1 1113 112 112 THR CA C 66.829 0.3 1 1114 112 112 THR CB C 68.560 0.3 1 1115 112 112 THR CG2 C 20.994 0.3 1 1116 112 112 THR N N 116.223 0.3 1 1117 113 113 ASP H H 7.474 0.020 1 1118 113 113 ASP HA H 4.587 0.020 1 1119 113 113 ASP HB2 H 3.344 0.020 2 1120 113 113 ASP HB3 H 2.569 0.020 2 1121 113 113 ASP C C 177.457 0.3 1 1122 113 113 ASP CA C 57.963 0.3 1 1123 113 113 ASP CB C 41.341 0.3 1 1124 113 113 ASP N N 120.245 0.3 1 1125 114 114 VAL H H 8.212 0.020 1 1126 114 114 VAL HA H 3.319 0.020 1 1127 114 114 VAL HB H 2.127 0.020 1 1128 114 114 VAL HG1 H 1.006 0.020 2 1129 114 114 VAL HG2 H 0.908 0.020 2 1130 114 114 VAL C C 177.616 0.3 1 1131 114 114 VAL CA C 67.696 0.3 1 1132 114 114 VAL CB C 31.328 0.3 1 1133 114 114 VAL CG1 C 22.427 0.3 1 1134 114 114 VAL CG2 C 20.994 0.3 1 1135 114 114 VAL N N 119.658 0.3 1 1136 115 115 LYS H H 7.716 0.020 1 1137 115 115 LYS HA H 4.095 0.020 1 1138 115 115 LYS HB2 H 1.980 0.020 2 1139 115 115 LYS HB3 H 1.928 0.020 2 1140 115 115 LYS HG2 H 1.652 0.020 2 1141 115 115 LYS HG3 H 1.467 0.020 2 1142 115 115 LYS HD2 H 1.704 0.020 1 1143 115 115 LYS HD3 H 1.704 0.020 1 1144 115 115 LYS HE2 H 2.983 0.020 1 1145 115 115 LYS HE3 H 2.983 0.020 1 1146 115 115 LYS C C 179.990 0.3 1 1147 115 115 LYS CA C 59.330 0.3 1 1148 115 115 LYS CB C 31.662 0.3 1 1149 115 115 LYS CG C 25.039 0.3 1 1150 115 115 LYS CD C 29.162 0.3 1 1151 115 115 LYS CE C 41.842 0.3 1 1152 115 115 LYS N N 119.095 0.3 1 1153 116 116 MET H H 8.208 0.020 1 1154 116 116 MET HA H 4.175 0.020 1 1155 116 116 MET HB2 H 2.272 0.020 2 1156 116 116 MET HB3 H 1.940 0.020 2 1157 116 116 MET HG2 H 2.938 0.020 2 1158 116 116 MET HG3 H 2.191 0.020 2 1159 116 116 MET HE H 1.497 0.020 1 1160 116 116 MET C C 177.982 0.3 1 1161 116 116 MET CA C 60.033 0.3 1 1162 116 116 MET CB C 32.329 0.3 1 1163 116 116 MET CG C 33.829 0.3 1 1164 116 116 MET CE C 17.986 0.3 1 1165 116 116 MET N N 118.751 0.3 1 1166 117 117 MET H H 8.729 0.020 1 1167 117 117 MET HA H 3.586 0.020 1 1168 117 117 MET HB2 H 1.969 0.020 2 1169 117 117 MET HB3 H 1.690 0.020 2 1170 117 117 MET HG2 H 1.947 0.020 2 1171 117 117 MET HG3 H 1.752 0.020 2 1172 117 117 MET HE H 1.407 0.020 1 1173 117 117 MET C C 177.616 0.3 1 1174 117 117 MET CA C 59.616 0.3 1 1175 117 117 MET CB C 33.247 0.3 1 1176 117 117 MET CG C 32.662 0.3 1 1177 117 117 MET CE C 15.844 0.3 1 1178 117 117 MET N N 118.368 0.3 1 1179 118 118 GLU H H 8.400 0.020 1 1180 118 118 GLU HA H 3.686 0.020 1 1181 118 118 GLU HB2 H 2.227 0.020 2 1182 118 118 GLU HB3 H 2.083 0.020 2 1183 118 118 GLU HG2 H 2.561 0.020 2 1184 118 118 GLU HG3 H 2.215 0.020 2 1185 118 118 GLU C C 178.141 0.3 1 1186 118 118 GLU CA C 60.563 0.3 1 1187 118 118 GLU CB C 28.157 0.3 1 1188 118 118 GLU CG C 34.996 0.3 1 1189 118 118 GLU N N 118.425 0.3 1 1190 119 119 ARG H H 7.296 0.020 1 1191 119 119 ARG HA H 4.220 0.020 1 1192 119 119 ARG HB2 H 2.116 0.020 2 1193 119 119 ARG HB3 H 1.969 0.020 2 1194 119 119 ARG HG2 H 1.853 0.020 2 1195 119 119 ARG HG3 H 1.767 0.020 2 1196 119 119 ARG HD2 H 3.277 0.020 2 1197 119 119 ARG HD3 H 3.172 0.020 2 1198 119 119 ARG HE H 7.251 0.020 1 1199 119 119 ARG C C 179.169 0.3 1 1200 119 119 ARG CA C 58.463 0.3 1 1201 119 119 ARG CB C 29.826 0.3 1 1202 119 119 ARG CG C 26.750 0.3 1 1203 119 119 ARG CD C 42.545 0.3 1 1204 119 119 ARG N N 116.936 0.3 1 1205 119 119 ARG NE N 83.253 0.3 1 1206 120 120 VAL H H 8.256 0.020 1 1207 120 120 VAL HA H 3.811 0.020 1 1208 120 120 VAL HB H 2.336 0.020 1 1209 120 120 VAL HG1 H 1.330 0.020 2 1210 120 120 VAL HG2 H 1.281 0.020 2 1211 120 120 VAL C C 177.091 0.3 1 1212 120 120 VAL CA C 65.829 0.3 1 1213 120 120 VAL CB C 32.007 0.3 1 1214 120 120 VAL CG1 C 23.872 0.3 1 1215 120 120 VAL CG2 C 20.372 0.3 1 1216 120 120 VAL N N 119.250 0.3 1 1217 121 121 VAL H H 9.024 0.020 1 1218 121 121 VAL HA H 3.651 0.020 1 1219 121 121 VAL HB H 2.285 0.020 1 1220 121 121 VAL HG1 H 1.235 0.020 2 1221 121 121 VAL HG2 H 0.972 0.020 2 1222 121 121 VAL C C 177.274 0.3 1 1223 121 121 VAL CA C 66.530 0.3 1 1224 121 121 VAL CB C 31.066 0.3 1 1225 121 121 VAL CG1 C 24.598 0.3 1 1226 121 121 VAL CG2 C 24.085 0.3 1 1227 121 121 VAL N N 121.334 0.3 1 1228 122 122 GLU H H 8.050 0.020 1 1229 122 122 GLU HA H 3.613 0.020 1 1230 122 122 GLU HB2 H 2.244 0.020 1 1231 122 122 GLU HB3 H 2.244 0.020 1 1232 122 122 GLU HG2 H 2.169 0.020 1 1233 122 122 GLU HG3 H 2.169 0.020 1 1234 122 122 GLU C C 177.457 0.3 1 1235 122 122 GLU CA C 60.996 0.3 1 1236 122 122 GLU CB C 28.825 0.3 1 1237 122 122 GLU CG C 35.618 0.3 1 1238 122 122 GLU N N 120.513 0.3 1 1239 123 123 GLN H H 7.159 0.020 1 1240 123 123 GLN HA H 4.003 0.020 1 1241 123 123 GLN HB2 H 2.224 0.020 2 1242 123 123 GLN HB3 H 2.142 0.020 2 1243 123 123 GLN HG2 H 2.453 0.020 1 1244 123 123 GLN HG3 H 2.453 0.020 1 1245 123 123 GLN HE21 H 7.543 0.020 1 1246 123 123 GLN HE22 H 6.881 0.020 1 1247 123 123 GLN C C 178.826 0.3 1 1248 123 123 GLN CA C 58.863 0.3 1 1249 123 123 GLN CB C 27.656 0.3 1 1250 123 123 GLN CG C 33.284 0.3 1 1251 123 123 GLN N N 114.858 0.3 1 1252 123 123 GLN NE2 N 113.267 0.3 1 1253 124 124 MET H H 8.246 0.020 1 1254 124 124 MET HA H 4.186 0.020 1 1255 124 124 MET HB2 H 2.177 0.020 2 1256 124 124 MET HB3 H 2.127 0.020 2 1257 124 124 MET HG2 H 2.844 0.020 2 1258 124 124 MET HG3 H 2.508 0.020 2 1259 124 124 MET HE H 1.895 0.020 1 1260 124 124 MET C C 178.484 0.3 1 1261 124 124 MET CA C 59.829 0.3 1 1262 124 124 MET CB C 34.491 0.3 1 1263 124 124 MET CG C 32.118 0.3 1 1264 124 124 MET CE C 16.416 0.3 1 1265 124 124 MET N N 119.302 0.3 1 1266 125 125 CYS H H 9.193 0.020 1 1267 125 125 CYS HA H 4.437 0.020 1 1268 125 125 CYS HB2 H 3.543 0.020 2 1269 125 125 CYS HB3 H 2.880 0.020 2 1270 125 125 CYS C C 176.749 0.3 1 1271 125 125 CYS CA C 59.854 0.3 1 1272 125 125 CYS CB C 41.663 0.3 1 1273 125 125 CYS N N 119.299 0.3 1 1274 126 126 ILE H H 8.246 0.020 1 1275 126 126 ILE HA H 3.595 0.020 1 1276 126 126 ILE HB H 2.055 0.020 1 1277 126 126 ILE HG12 H 1.997 0.020 2 1278 126 126 ILE HG13 H 0.877 0.020 2 1279 126 126 ILE HG2 H 0.900 0.020 1 1280 126 126 ILE HD1 H 0.865 0.020 1 1281 126 126 ILE C C 177.959 0.3 1 1282 126 126 ILE CA C 66.563 0.3 1 1283 126 126 ILE CB C 37.837 0.3 1 1284 126 126 ILE CG1 C 30.596 0.3 1 1285 126 126 ILE CG2 C 16.872 0.3 1 1286 126 126 ILE CD1 C 14.067 0.3 1 1287 126 126 ILE N N 123.944 0.3 1 1288 127 127 THR H H 8.064 0.020 1 1289 127 127 THR HA H 3.967 0.020 1 1290 127 127 THR HB H 4.301 0.020 1 1291 127 127 THR HG2 H 1.250 0.020 1 1292 127 127 THR C C 176.749 0.3 1 1293 127 127 THR CA C 67.126 0.3 1 1294 127 127 THR CB C 67.960 0.3 1 1295 127 127 THR CG2 C 21.539 0.3 1 1296 127 127 THR N N 118.702 0.3 1 1297 128 128 GLN H H 8.729 0.020 1 1298 128 128 GLN HA H 3.659 0.020 1 1299 128 128 GLN HB2 H 2.051 0.020 1 1300 128 128 GLN HB3 H 2.051 0.020 1 1301 128 128 GLN HG2 H 1.674 0.020 1 1302 128 128 GLN HG3 H 1.674 0.020 1 1303 128 128 GLN HE21 H 7.313 0.020 1 1304 128 128 GLN HE22 H 6.769 0.020 1 1305 128 128 GLN C C 177.091 0.3 1 1306 128 128 GLN CA C 58.603 0.3 1 1307 128 128 GLN CB C 27.895 0.3 1 1308 128 128 GLN CG C 32.627 0.3 1 1309 128 128 GLN N N 122.241 0.3 1 1310 128 128 GLN NE2 N 115.661 0.3 1 1311 129 129 TYR HA H 2.957 0.020 1 1312 129 129 TYR HB2 H 3.127 0.020 2 1313 129 129 TYR HB3 H 2.783 0.020 2 1314 129 129 TYR HD1 H 6.237 0.020 1 1315 129 129 TYR HD2 H 6.237 0.020 1 1316 129 129 TYR C C 177.959 0.3 1 1317 129 129 TYR CA C 61.929 0.3 1 1318 129 129 TYR CB C 36.781 0.3 1 1319 130 130 GLU H H 8.250 0.020 1 1320 130 130 GLU HA H 3.738 0.020 1 1321 130 130 GLU HB2 H 2.378 0.020 2 1322 130 130 GLU HB3 H 2.086 0.020 2 1323 130 130 GLU HG2 H 2.648 0.020 2 1324 130 130 GLU HG3 H 2.411 0.020 2 1325 130 130 GLU C C 178.826 0.3 1 1326 130 130 GLU CA C 59.363 0.3 1 1327 130 130 GLU CB C 27.907 0.3 1 1328 130 130 GLU CG C 34.451 0.3 1 1329 130 130 GLU N N 120.841 0.3 1 1330 131 131 ARG H H 7.900 0.020 1 1331 131 131 ARG HA H 4.003 0.020 1 1332 131 131 ARG HB2 H 1.877 0.020 2 1333 131 131 ARG HB3 H 1.835 0.020 2 1334 131 131 ARG HG2 H 1.854 0.020 2 1335 131 131 ARG HG3 H 1.622 0.020 2 1336 131 131 ARG HD2 H 3.095 0.020 2 1337 131 131 ARG HD3 H 2.938 0.020 2 1338 131 131 ARG HE H 7.225 0.020 1 1339 131 131 ARG C C 179.511 0.3 1 1340 131 131 ARG CA C 59.163 0.3 1 1341 131 131 ARG CB C 30.076 0.3 1 1342 131 131 ARG CG C 26.454 0.3 1 1343 131 131 ARG CD C 43.676 0.3 1 1344 131 131 ARG N N 119.014 0.3 1 1345 131 131 ARG NE N 84.042 0.3 1 1346 132 132 GLU H H 8.397 0.020 1 1347 132 132 GLU HA H 4.045 0.020 1 1348 132 132 GLU HB2 H 1.681 0.020 1 1349 132 132 GLU HB3 H 1.681 0.020 1 1350 132 132 GLU HG2 H 2.412 0.020 2 1351 132 132 GLU HG3 H 2.191 0.020 2 1352 132 132 GLU C C 178.644 0.3 1 1353 132 132 GLU CA C 57.863 0.3 1 1354 132 132 GLU CB C 28.825 0.3 1 1355 132 132 GLU CG C 36.362 0.3 1 1356 132 132 GLU N N 118.862 0.3 1 1357 133 133 SER H H 8.438 0.020 1 1358 133 133 SER HA H 3.912 0.020 1 1359 133 133 SER HB2 H 3.611 0.020 2 1360 133 133 SER HB3 H 3.395 0.020 2 1361 133 133 SER C C 175.722 0.3 1 1362 133 133 SER CA C 61.329 0.3 1 1363 133 133 SER CB C 62.331 0.3 1 1364 133 133 SER N N 115.955 0.3 1 1365 134 134 GLN H H 7.565 0.020 1 1366 134 134 GLN HA H 4.136 0.020 1 1367 134 134 GLN HB2 H 2.127 0.020 1 1368 134 134 GLN HB3 H 2.127 0.020 1 1369 134 134 GLN HG2 H 2.514 0.020 2 1370 134 134 GLN HG3 H 2.403 0.020 2 1371 134 134 GLN HE21 H 7.450 0.020 1 1372 134 134 GLN HE22 H 6.786 0.020 1 1373 134 134 GLN C C 177.616 0.3 1 1374 134 134 GLN CA C 58.263 0.3 1 1375 134 134 GLN CB C 28.074 0.3 1 1376 134 134 GLN CG C 33.829 0.3 1 1377 134 134 GLN N N 120.373 0.3 1 1378 134 134 GLN NE2 N 111.824 0.3 1 1379 135 135 ALA H H 7.475 0.020 1 1380 135 135 ALA HA H 4.186 0.020 1 1381 135 135 ALA HB H 1.436 0.020 1 1382 135 135 ALA C C 178.986 0.3 1 1383 135 135 ALA CA C 54.063 0.3 1 1384 135 135 ALA CB C 18.227 0.3 1 1385 135 135 ALA N N 120.636 0.3 1 1386 136 136 TYR H H 8.060 0.020 1 1387 136 136 TYR HA H 4.170 0.020 1 1388 136 136 TYR HB2 H 3.036 0.020 2 1389 136 136 TYR HB3 H 2.836 0.020 2 1390 136 136 TYR HD1 H 6.673 0.020 1 1391 136 136 TYR HD2 H 6.673 0.020 1 1392 136 136 TYR C C 177.091 0.3 1 1393 136 136 TYR CA C 60.463 0.3 1 1394 136 136 TYR CB C 38.910 0.3 1 1395 136 136 TYR N N 119.257 0.3 1 1396 137 137 TYR H H 7.958 0.020 1 1397 137 137 TYR HA H 4.378 0.020 1 1398 137 137 TYR HB2 H 3.186 0.020 2 1399 137 137 TYR HB3 H 2.953 0.020 2 1400 137 137 TYR HD1 H 7.156 0.020 1 1401 137 137 TYR HD2 H 7.156 0.020 1 1402 137 137 TYR HE1 H 6.687 0.020 1 1403 137 137 TYR HE2 H 6.687 0.020 1 1404 137 137 TYR C C 176.589 0.3 1 1405 137 137 TYR CA C 59.196 0.3 1 1406 137 137 TYR CB C 37.920 0.3 1 1407 137 137 TYR N N 117.972 0.3 1 1408 138 138 GLN H H 7.843 0.020 1 1409 138 138 GLN HA H 4.253 0.020 1 1410 138 138 GLN HB2 H 2.152 0.020 2 1411 138 138 GLN HB3 H 2.077 0.020 2 1412 138 138 GLN HG2 H 2.394 0.020 1 1413 138 138 GLN HG3 H 2.394 0.020 1 1414 138 138 GLN HE21 H 7.465 0.020 1 1415 138 138 GLN HE22 H 6.815 0.020 1 1416 138 138 GLN C C 176.247 0.3 1 1417 138 138 GLN CA C 56.362 0.3 1 1418 138 138 GLN CB C 28.574 0.3 1 1419 138 138 GLN CG C 33.751 0.3 1 1420 138 138 GLN N N 119.423 0.3 1 1421 138 138 GLN NE2 N 111.923 0.3 1 1422 139 139 ARG H H 7.937 0.020 1 1423 139 139 ARG HA H 4.278 0.020 1 1424 139 139 ARG HB2 H 1.861 0.020 2 1425 139 139 ARG HB3 H 1.811 0.020 2 1426 139 139 ARG HG2 H 1.702 0.020 2 1427 139 139 ARG HG3 H 1.636 0.020 2 1428 139 139 ARG HD2 H 3.181 0.020 2 1429 139 139 ARG HD3 H 3.158 0.020 2 1430 139 139 ARG HE H 7.142 0.020 1 1431 139 139 ARG C C 176.932 0.3 1 1432 139 139 ARG CA C 56.946 0.3 1 1433 139 139 ARG CB C 30.410 0.3 1 1434 139 139 ARG CG C 26.828 0.3 1 1435 139 139 ARG CD C 43.241 0.3 1 1436 139 139 ARG N N 120.690 0.3 1 1437 139 139 ARG NE N 84.509 0.3 1 1438 140 140 GLY H H 8.239 0.020 1 1439 140 140 GLY HA2 H 4.003 0.020 1 1440 140 140 GLY HA3 H 4.003 0.020 1 1441 140 140 GLY C C 173.941 0.3 1 1442 140 140 GLY CA C 45.197 0.3 1 1443 140 140 GLY N N 109.223 0.3 1 1444 141 141 SER H H 8.129 0.020 1 1445 141 141 SER HA H 4.520 0.020 1 1446 141 141 SER HB2 H 3.845 0.020 1 1447 141 141 SER HB3 H 3.845 0.020 1 1448 141 141 SER C C 173.667 0.3 1 1449 141 141 SER CA C 58.197 0.3 1 1450 141 141 SER CB C 63.872 0.3 1 1451 141 141 SER N N 115.660 0.3 1 1452 142 142 SER H H 8.002 0.020 1 1453 142 142 SER HA H 4.321 0.020 1 1454 142 142 SER HB2 H 3.833 0.020 1 1455 142 142 SER HB3 H 3.833 0.020 1 1456 142 142 SER C C 174.192 0.3 1 1457 142 142 SER CA C 59.963 0.3 1 1458 142 142 SER CB C 64.563 0.3 1 1459 142 142 SER N N 122.746 0.3 1 stop_ save_