data_36049 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR structure of the SARS Coronavirus E protein pentameric ion channel ; _BMRB_accession_number 36049 _BMRB_flat_file_name bmr36049.str _Entry_type original _Submission_date 2017-01-31 _Accession_date 2017-03-01 _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 Torres J. . . 2 Surya W. . . 3 Li Y. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 346 "13C chemical shifts" 274 "15N chemical shifts" 65 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2019-03-08 update BMRB 'update entry citation' 2017-06-05 original author 'original release' stop_ _Original_release_date 2017-03-01 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Structure of the SARS coronavirus E protein pentameric ion channel in LMPG micelles ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 29474890 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Surya W. . . 2 Li Y. . . 3 Torres J. . . stop_ _Journal_abbreviation 'Biochim. Biophys. Acta Biomembr.' _Journal_name_full 'Biochimica et biophysica acta. Biomembranes' _Journal_volume 1860 _Journal_issue 6 _Journal_ISSN 0005-2736 _Journal_CSD 0353 _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 1309 _Page_last 1317 _Year 2018 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Envelope small membrane protein' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'entity_1, 1' $entity_1 'entity_1, 2' $entity_1 'entity_1, 3' $entity_1 'entity_1, 4' $entity_1 'entity_1, 5' $entity_1 stop_ _System_molecular_weight . _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'Envelope small membrane protein' _Molecular_mass 9003.540 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 81 _Mol_residue_sequence ; MHHHHHHSSGVDLGTENLYF QSMETGTLIVNSVLLFLAFV VFLLVTLAILTALRLAAYAA NIVNVSLVKPTVYVYSRVKN L ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 . MET 2 . HIS 3 . HIS 4 . HIS 5 . HIS 6 . HIS 7 . HIS 8 . SER 9 . SER 10 . GLY 11 . VAL 12 . ASP 13 . LEU 14 . GLY 15 . THR 16 . GLU 17 1 ASN 18 2 LEU 19 3 TYR 20 4 PHE 21 5 GLN 22 6 SER 23 7 MET 24 8 GLU 25 9 THR 26 10 GLY 27 11 THR 28 12 LEU 29 13 ILE 30 14 VAL 31 15 ASN 32 16 SER 33 17 VAL 34 18 LEU 35 19 LEU 36 20 PHE 37 21 LEU 38 22 ALA 39 23 PHE 40 24 VAL 41 25 VAL 42 26 PHE 43 27 LEU 44 28 LEU 45 29 VAL 46 30 THR 47 31 LEU 48 32 ALA 49 33 ILE 50 34 LEU 51 35 THR 52 36 ALA 53 37 LEU 54 38 ARG 55 39 LEU 56 40 ALA 57 41 ALA 58 42 TYR 59 43 ALA 60 44 ALA 61 45 ASN 62 46 ILE 63 47 VAL 64 48 ASN 65 49 VAL 66 50 SER 67 51 LEU 68 52 VAL 69 53 LYS 70 54 PRO 71 55 THR 72 56 VAL 73 57 TYR 74 58 VAL 75 59 TYR 76 60 SER 77 61 ARG 78 62 VAL 79 63 LYS 80 64 ASN 81 65 LEU 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 _Gene_mnemonic $entity_1 SARS-CoV 227859 Viruses . Betacoronavirus 'Severe acute respiratory syndrome-related coronavirus' 'E, sM, 4' stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_type _Vector_name $entity_1 'recombinant technology' . . . BL21(DE3) plasmid pNIC28-Bsa4 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type micelle _Details '0.67 mM [U-99% 15N] Envelope small membrane protein, 200 mM LMPG, 20 mM sodium phosphate, 50 mM sodium chloride, 95% H2O/5% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 0.67 mM '[U-99% 15N]' LMPG 200 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' 'sodium phosphate' 20 mM 'natural abundance' H2O 95 % 'natural abundance' D2O 5 % [U-2H] stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type micelle _Details ; 0.67 mM [U-99% 13C; U-99% 15N] Envelope small membrane protein, 200 mM LMPG, 20 mM sodium phosphate, 50 mM sodium chloride, 95% H2O/5% D2O ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 0.67 mM '[U-99% 13C; U-99% 15N]' LMPG 200 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' 'sodium phosphate' 20 mM 'natural abundance' H2O 95 % 'natural abundance' D2O 5 % [U-2H] stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type micelle _Details ; 0.67 mM [U-99% 15N, U-99% 2H] Envelope small membrane protein, 200 mM LMPG, 20 mM sodium phosphate, 50 mM sodium chloride, 95% H2O/5% D2O ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 0.67 mM '[U-99% 15N, U-99% 2H]' LMPG 200 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' 'sodium phosphate' 20 mM 'natural abundance' H2O 95 % 'natural abundance' D2O 5 % [U-2H] stop_ save_ save_sample_4 _Saveframe_category sample _Sample_type micelle _Details ; 0.33 mM [U-99% 13C] Envelope small membrane protein, 0.33 mM [U-99% 15N, U-99% 2H] Envelope small membrane protein, 200 mM LMPG, 20 mM sodium phosphate, 50 mM sodium chloride, 95% H2O/5% D2O ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 0.33 mM '[U-99% 13C]' $entity_1 0.33 mM '[U-99% 15N, U-99% 2H]' LMPG 200 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' 'sodium phosphate' 20 mM 'natural abundance' H2O 95 % 'natural abundance' D2O 5 % [U-2H] stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name CARA _Version . loop_ _Vendor _Address _Electronic_address 'Keller and Wuthrich' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_software_2 _Saveframe_category software _Name CYANA _Version 3.0 loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure calculation' stop_ _Details . save_ save_software_3 _Saveframe_category software _Name HADDOCK _Version 2.2 loop_ _Vendor _Address _Electronic_address Bonvin . . stop_ loop_ _Task refinement stop_ _Details . save_ save_software_4 _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AvanceII _Field_strength 700 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_HNCA_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_2 save_ save_3D_HN(CO)CA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_2 save_ save_3D_HCCH-TOCSY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_2 save_ save_3D_1H-15N_NOESY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_2 save_ save_3D_1H-13C_NOESY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_2 save_ save_2D_1H-13C_HSQC_7 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_2 save_ save_3D_1H-15N_NOESY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_3 save_ save_3D_1H-15N_NOESY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_4 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' 50 . mM pH 5.5 . pH pressure 1 . atm temperature 308 . 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 0.000 internal indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.000 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.000 internal 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 HNCA' '3D HN(CO)CA' '3D HCCH-TOCSY' '3D 1H-15N NOESY' '3D 1H-13C NOESY' '2D 1H-13C HSQC' stop_ loop_ _Sample_label $sample_1 $sample_2 $sample_3 $sample_4 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chem_shift_reference_1 _Mol_system_component_name 'entity_1, 1' _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 8 24 GLU H H 8.254 0.020 1 2 8 24 GLU HA H 4.335 0.020 1 3 8 24 GLU HB2 H 2.122 0.020 2 4 8 24 GLU HB3 H 1.994 0.020 2 5 8 24 GLU HG2 H 2.324 0.020 1 6 8 24 GLU HG3 H 2.324 0.020 1 7 8 24 GLU C C 174.138 0.3 1 8 8 24 GLU CA C 57.209 0.3 1 9 8 24 GLU CB C 29.741 0.3 1 10 8 24 GLU CG C 35.471 0.3 1 11 8 24 GLU N N 120.491 0.3 1 12 9 25 THR H H 8.031 0.020 1 13 9 25 THR HA H 4.213 0.020 1 14 9 25 THR HB H 4.217 0.020 1 15 9 25 THR HG2 H 1.211 0.020 1 16 9 25 THR C C 172.757 0.3 1 17 9 25 THR CA C 63.689 0.3 1 18 9 25 THR CB C 69.878 0.3 1 19 9 25 THR CG2 C 21.852 0.3 1 20 9 25 THR N N 113.646 0.3 1 21 10 26 GLY H H 8.361 0.020 1 22 10 26 GLY HA2 H 4.035 0.020 2 23 10 26 GLY HA3 H 3.885 0.020 2 24 10 26 GLY C C 171.923 0.3 1 25 10 26 GLY CA C 46.530 0.3 1 26 10 26 GLY N N 109.861 0.3 1 27 11 27 THR H H 7.888 0.020 1 28 11 27 THR HA H 4.220 0.020 1 29 11 27 THR HB H 4.190 0.020 1 30 11 27 THR HG2 H 1.224 0.020 1 31 11 27 THR C C 171.906 0.3 1 32 11 27 THR CA C 63.751 0.3 1 33 11 27 THR CB C 69.549 0.3 1 34 11 27 THR CG2 C 22.103 0.3 1 35 11 27 THR N N 114.671 0.3 1 36 12 28 LEU H H 8.120 0.020 1 37 12 28 LEU HA H 4.240 0.020 1 38 12 28 LEU HB2 H 1.697 0.020 2 39 12 28 LEU HB3 H 1.626 0.020 2 40 12 28 LEU HG H 1.599 0.020 1 41 12 28 LEU HD1 H 0.927 0.020 2 42 12 28 LEU HD2 H 0.854 0.020 2 43 12 28 LEU C C 175.221 0.3 1 44 12 28 LEU CA C 57.429 0.3 1 45 12 28 LEU CB C 42.536 0.3 1 46 12 28 LEU CG C 27.293 0.3 1 47 12 28 LEU CD1 C 24.905 0.3 1 48 12 28 LEU CD2 C 24.690 0.3 1 49 12 28 LEU N N 122.982 0.3 1 50 13 29 ILE H H 8.086 0.020 1 51 13 29 ILE HA H 3.835 0.020 1 52 13 29 ILE HB H 1.922 0.020 1 53 13 29 ILE HG12 H 1.636 0.020 2 54 13 29 ILE HG13 H 1.114 0.020 2 55 13 29 ILE HG2 H 0.864 0.020 1 56 13 29 ILE HD1 H 0.829 0.020 1 57 13 29 ILE C C 173.425 0.3 1 58 13 29 ILE CA C 64.040 0.3 1 59 13 29 ILE CB C 37.906 0.3 1 60 13 29 ILE CG1 C 28.720 0.3 1 61 13 29 ILE CG2 C 17.676 0.3 1 62 13 29 ILE CD1 C 13.152 0.3 1 63 13 29 ILE N N 119.918 0.3 1 64 14 30 VAL H H 7.853 0.020 1 65 14 30 VAL HA H 3.790 0.020 1 66 14 30 VAL HB H 2.084 0.020 1 67 14 30 VAL HG1 H 0.871 0.020 2 68 14 30 VAL HG2 H 0.934 0.020 2 69 14 30 VAL C C 173.429 0.3 1 70 14 30 VAL CA C 65.463 0.3 1 71 14 30 VAL CB C 33.107 0.3 1 72 14 30 VAL CG1 C 21.232 0.3 1 73 14 30 VAL CG2 C 21.830 0.3 1 74 14 30 VAL N N 119.395 0.3 1 75 15 31 ASN H H 7.874 0.020 1 76 15 31 ASN HA H 4.549 0.020 1 77 15 31 ASN HB2 H 2.895 0.020 2 78 15 31 ASN HB3 H 2.719 0.020 2 79 15 31 ASN HD21 H 7.539 0.020 1 80 15 31 ASN HD22 H 6.699 0.020 1 81 15 31 ASN C C 173.619 0.3 1 82 15 31 ASN CA C 58.628 0.3 1 83 15 31 ASN CB C 38.884 0.3 1 84 15 31 ASN N N 119.249 0.3 1 85 15 31 ASN ND2 N 112.233 0.3 1 86 16 32 SER H H 8.181 0.020 1 87 16 32 SER HA H 4.095 0.020 1 88 16 32 SER HB2 H 3.795 0.020 1 89 16 32 SER HB3 H 3.795 0.020 1 90 16 32 SER CA C 62.934 0.3 1 91 16 32 SER CB C 63.752 0.3 1 92 16 32 SER N N 116.184 0.3 1 93 17 33 VAL H H 8.063 0.020 1 94 17 33 VAL HA H 3.716 0.020 1 95 17 33 VAL HB H 2.261 0.020 1 96 17 33 VAL HG1 H 1.067 0.020 2 97 17 33 VAL HG2 H 0.882 0.020 2 98 17 33 VAL C C 174.474 0.3 1 99 17 33 VAL CA C 66.889 0.3 1 100 17 33 VAL CB C 31.531 0.3 1 101 17 33 VAL CG1 C 23.257 0.3 1 102 17 33 VAL CG2 C 21.471 0.3 1 103 17 33 VAL N N 121.564 0.3 1 104 18 34 LEU H H 8.098 0.020 1 105 18 34 LEU HA H 4.045 0.020 1 106 18 34 LEU HB2 H 1.867 0.020 2 107 18 34 LEU HB3 H 1.472 0.020 2 108 18 34 LEU HG H 1.919 0.020 1 109 18 34 LEU HD1 H 0.950 0.020 2 110 18 34 LEU HD2 H 0.900 0.020 2 111 18 34 LEU C C 175.511 0.3 1 112 18 34 LEU CA C 58.421 0.3 1 113 18 34 LEU CB C 41.856 0.3 1 114 18 34 LEU CG C 26.999 0.3 1 115 18 34 LEU CD1 C 25.848 0.3 1 116 18 34 LEU CD2 C 23.382 0.3 1 117 18 34 LEU N N 118.739 0.3 1 118 19 35 LEU H H 7.990 0.020 1 119 19 35 LEU HA H 4.016 0.020 1 120 19 35 LEU HB2 H 1.839 0.020 2 121 19 35 LEU HB3 H 1.507 0.020 2 122 19 35 LEU HG H 1.757 0.020 1 123 19 35 LEU HD1 H 0.859 0.020 1 124 19 35 LEU C C 175.156 0.3 1 125 19 35 LEU CA C 58.247 0.3 1 126 19 35 LEU CB C 41.843 0.3 1 127 19 35 LEU CG C 27.218 0.3 1 128 19 35 LEU CD1 C 25.968 0.3 1 129 19 35 LEU CD2 C 23.240 0.3 1 130 19 35 LEU N N 117.945 0.3 1 131 20 36 PHE H H 8.242 0.020 1 132 20 36 PHE HA H 4.234 0.020 1 133 20 36 PHE HB2 H 3.298 0.020 2 134 20 36 PHE HB3 H 3.233 0.020 2 135 20 36 PHE HD1 H 7.076 0.020 1 136 20 36 PHE HD2 H 7.076 0.020 1 137 20 36 PHE HE1 H 6.965 0.020 1 138 20 36 PHE HE2 H 6.965 0.020 1 139 20 36 PHE C C 174.260 0.3 1 140 20 36 PHE CA C 61.746 0.3 1 141 20 36 PHE CB C 39.333 0.3 1 142 20 36 PHE CD1 C 131.983 0.3 1 143 20 36 PHE CD2 C 131.983 0.3 1 144 20 36 PHE CE1 C 131.000 0.3 1 145 20 36 PHE CE2 C 131.000 0.3 1 146 20 36 PHE N N 118.522 0.3 1 147 21 37 LEU H H 8.619 0.020 1 148 21 37 LEU HA H 3.851 0.020 1 149 21 37 LEU HB2 H 1.963 0.020 2 150 21 37 LEU HB3 H 1.498 0.020 2 151 21 37 LEU HG H 1.990 0.020 1 152 21 37 LEU HD1 H 0.882 0.020 2 153 21 37 LEU HD2 H 0.858 0.020 2 154 21 37 LEU C C 175.324 0.3 1 155 21 37 LEU CA C 58.251 0.3 1 156 21 37 LEU CB C 41.756 0.3 1 157 21 37 LEU CG C 26.795 0.3 1 158 21 37 LEU CD1 C 25.373 0.3 1 159 21 37 LEU CD2 C 23.400 0.3 1 160 21 37 LEU N N 117.995 0.3 1 161 22 38 ALA H H 8.422 0.020 1 162 22 38 ALA HA H 3.825 0.020 1 163 22 38 ALA HB H 1.460 0.020 1 164 22 38 ALA C C 175.697 0.3 1 165 22 38 ALA CA C 55.654 0.3 1 166 22 38 ALA CB C 17.871 0.3 1 167 22 38 ALA N N 120.244 0.3 1 168 23 39 PHE H H 8.237 0.020 1 169 23 39 PHE HA H 4.162 0.020 1 170 23 39 PHE HB2 H 3.268 0.020 2 171 23 39 PHE HB3 H 3.145 0.020 2 172 23 39 PHE HD1 H 7.024 0.020 1 173 23 39 PHE HD2 H 7.024 0.020 1 174 23 39 PHE HE1 H 6.985 0.020 1 175 23 39 PHE HE2 H 6.985 0.020 1 176 23 39 PHE C C 173.859 0.3 1 177 23 39 PHE CA C 61.479 0.3 1 178 23 39 PHE CB C 38.853 0.3 1 179 23 39 PHE CD1 C 131.456 0.3 1 180 23 39 PHE CD2 C 131.456 0.3 1 181 23 39 PHE CE1 C 129.290 0.3 1 182 23 39 PHE CE2 C 129.290 0.3 1 183 23 39 PHE N N 117.202 0.3 1 184 24 40 VAL H H 8.227 0.020 1 185 24 40 VAL HA H 3.184 0.020 1 186 24 40 VAL HB H 2.061 0.020 1 187 24 40 VAL HG1 H 0.726 0.020 2 188 24 40 VAL HG2 H 0.626 0.020 2 189 24 40 VAL C C 174.684 0.3 1 190 24 40 VAL CA C 67.368 0.3 1 191 24 40 VAL CB C 31.106 0.3 1 192 24 40 VAL CG1 C 21.367 0.3 1 193 24 40 VAL CG2 C 23.108 0.3 1 194 24 40 VAL N N 118.708 0.3 1 195 25 41 VAL H H 8.306 0.020 1 196 25 41 VAL HA H 3.385 0.020 1 197 25 41 VAL HB H 2.144 0.020 1 198 25 41 VAL HG1 H 0.777 0.020 2 199 25 41 VAL HG2 H 0.942 0.020 2 200 25 41 VAL C C 174.244 0.3 1 201 25 41 VAL CA C 67.831 0.3 1 202 25 41 VAL CB C 30.907 0.3 1 203 25 41 VAL CG1 C 21.660 0.3 1 204 25 41 VAL CG2 C 23.353 0.3 1 205 25 41 VAL N N 118.776 0.3 1 206 26 42 PHE H H 8.477 0.020 1 207 26 42 PHE HA H 3.974 0.020 1 208 26 42 PHE HB2 H 3.187 0.020 2 209 26 42 PHE HB3 H 3.064 0.020 2 210 26 42 PHE HD1 H 6.926 0.020 1 211 26 42 PHE HD2 H 6.926 0.020 1 212 26 42 PHE HE1 H 6.856 0.020 1 213 26 42 PHE HE2 H 6.856 0.020 1 214 26 42 PHE C C 175.371 0.3 1 215 26 42 PHE CA C 61.640 0.3 1 216 26 42 PHE CB C 38.760 0.3 1 217 26 42 PHE CD1 C 132.001 0.3 1 218 26 42 PHE CD2 C 132.001 0.3 1 219 26 42 PHE N N 119.199 0.3 1 220 27 43 LEU H H 8.517 0.020 1 221 27 43 LEU HA H 3.601 0.020 1 222 27 43 LEU HB2 H 1.471 0.020 2 223 27 43 LEU HB3 H 1.337 0.020 2 224 27 43 LEU HG H 1.445 0.020 1 225 27 43 LEU HD1 H 0.635 0.020 2 226 27 43 LEU HD2 H 0.672 0.020 2 227 27 43 LEU C C 175.256 0.3 1 228 27 43 LEU CA C 58.294 0.3 1 229 27 43 LEU CB C 41.564 0.3 1 230 27 43 LEU CG C 26.419 0.3 1 231 27 43 LEU CD1 C 24.613 0.3 1 232 27 43 LEU CD2 C 23.913 0.3 1 233 27 43 LEU N N 121.912 0.3 1 234 28 44 LEU H H 8.317 0.020 1 235 28 44 LEU HA H 3.861 0.020 1 236 28 44 LEU HB2 H 1.808 0.020 2 237 28 44 LEU HB3 H 1.249 0.020 2 238 28 44 LEU HG H 1.765 0.020 1 239 28 44 LEU HD1 H 0.734 0.020 2 240 28 44 LEU HD2 H 0.714 0.020 2 241 28 44 LEU C C 175.881 0.3 1 242 28 44 LEU CA C 58.449 0.3 1 243 28 44 LEU CB C 41.760 0.3 1 244 28 44 LEU CG C 26.660 0.3 1 245 28 44 LEU CD1 C 25.316 0.3 1 246 28 44 LEU CD2 C 22.980 0.3 1 247 28 44 LEU N N 118.766 0.3 1 248 29 45 VAL H H 8.511 0.020 1 249 29 45 VAL HA H 3.404 0.020 1 250 29 45 VAL HB H 2.049 0.020 1 251 29 45 VAL HG1 H 0.798 0.020 2 252 29 45 VAL HG2 H 0.920 0.020 2 253 29 45 VAL C C 174.734 0.3 1 254 29 45 VAL CA C 67.098 0.3 1 255 29 45 VAL CB C 31.164 0.3 1 256 29 45 VAL CG1 C 21.232 0.3 1 257 29 45 VAL CG2 C 22.929 0.3 1 258 29 45 VAL N N 117.842 0.3 1 259 30 46 THR H H 7.982 0.020 1 260 30 46 THR HA H 3.506 0.020 1 261 30 46 THR HB H 3.973 0.020 1 262 30 46 THR HG2 H 0.906 0.020 1 263 30 46 THR CA C 68.556 0.3 1 264 30 46 THR CB C 67.282 0.3 1 265 30 46 THR CG2 C 21.405 0.3 1 266 30 46 THR N N 116.709 0.3 1 267 31 47 LEU H H 8.413 0.020 1 268 31 47 LEU HA H 3.918 0.020 1 269 31 47 LEU HB2 H 1.813 0.020 2 270 31 47 LEU HB3 H 1.409 0.020 2 271 31 47 LEU HG H 1.755 0.020 1 272 31 47 LEU HD1 H 0.782 0.020 2 273 31 47 LEU HD2 H 0.773 0.020 2 274 31 47 LEU C C 177.164 0.3 1 275 31 47 LEU CA C 58.142 0.3 1 276 31 47 LEU CB C 41.822 0.3 1 277 31 47 LEU CG C 26.824 0.3 1 278 31 47 LEU CD1 C 24.708 0.3 1 279 31 47 LEU CD2 C 23.750 0.3 1 280 31 47 LEU N N 120.017 0.3 1 281 32 48 ALA H H 8.548 0.020 1 282 32 48 ALA HA H 3.900 0.020 1 283 32 48 ALA HB H 1.472 0.020 1 284 32 48 ALA C C 175.968 0.3 1 285 32 48 ALA CA C 55.901 0.3 1 286 32 48 ALA CB C 18.046 0.3 1 287 32 48 ALA N N 124.261 0.3 1 288 33 49 ILE H H 8.351 0.020 1 289 33 49 ILE HA H 3.546 0.020 1 290 33 49 ILE HB H 1.966 0.020 1 291 33 49 ILE HG12 H 1.886 0.020 2 292 33 49 ILE HG13 H 0.950 0.020 2 293 33 49 ILE HG2 H 0.842 0.020 1 294 33 49 ILE HD1 H 0.751 0.020 1 295 33 49 ILE C C 175.004 0.3 1 296 33 49 ILE CA C 65.740 0.3 1 297 33 49 ILE CB C 37.683 0.3 1 298 33 49 ILE CG1 C 29.438 0.3 1 299 33 49 ILE CG2 C 17.451 0.3 1 300 33 49 ILE CD1 C 13.765 0.3 1 301 33 49 ILE N N 118.113 0.3 1 302 34 50 LEU H H 8.509 0.020 1 303 34 50 LEU HA H 3.927 0.020 1 304 34 50 LEU HB2 H 1.901 0.020 2 305 34 50 LEU HB3 H 1.431 0.020 2 306 34 50 LEU HG H 1.836 0.020 1 307 34 50 LEU HD1 H 0.808 0.020 2 308 34 50 LEU HD2 H 0.831 0.020 2 309 34 50 LEU C C 176.439 0.3 1 310 34 50 LEU CA C 58.461 0.3 1 311 34 50 LEU CB C 41.884 0.3 1 312 34 50 LEU CG C 26.750 0.3 1 313 34 50 LEU CD1 C 25.905 0.3 1 314 34 50 LEU CD2 C 23.527 0.3 1 315 34 50 LEU N N 117.692 0.3 1 316 35 51 THR H H 8.184 0.020 1 317 35 51 THR HA H 3.804 0.020 1 318 35 51 THR HB H 4.266 0.020 1 319 35 51 THR HG2 H 1.141 0.020 1 320 35 51 THR C C 173.366 0.3 1 321 35 51 THR CA C 67.649 0.3 1 322 35 51 THR CB C 67.334 0.3 1 323 35 51 THR CG2 C 21.575 0.3 1 324 35 51 THR N N 115.144 0.3 1 325 36 52 ALA H H 8.405 0.020 1 326 36 52 ALA HA H 3.978 0.020 1 327 36 52 ALA HB H 1.476 0.020 1 328 36 52 ALA C C 176.510 0.3 1 329 36 52 ALA CA C 55.367 0.3 1 330 36 52 ALA CB C 18.342 0.3 1 331 36 52 ALA N N 124.754 0.3 1 332 37 53 LEU H H 8.117 0.020 1 333 37 53 LEU HA H 4.179 0.020 1 334 37 53 LEU HB2 H 1.854 0.020 1 335 37 53 LEU HB3 H 1.854 0.020 1 336 37 53 LEU HG H 1.747 0.020 1 337 37 53 LEU HD1 H 0.859 0.020 2 338 37 53 LEU HD2 H 0.852 0.020 2 339 37 53 LEU C C 176.538 0.3 1 340 37 53 LEU CA C 55.436 0.3 1 341 37 53 LEU CB C 42.017 0.3 1 342 37 53 LEU CG C 27.101 0.3 1 343 37 53 LEU CD1 C 24.794 0.3 1 344 37 53 LEU CD2 C 23.557 0.3 1 345 37 53 LEU N N 114.606 0.3 1 346 38 54 ARG H H 7.959 0.020 1 347 38 54 ARG HA H 4.229 0.020 1 348 38 54 ARG HB2 H 2.066 0.020 1 349 38 54 ARG HB3 H 2.066 0.020 1 350 38 54 ARG HG2 H 1.707 0.020 1 351 38 54 ARG HG3 H 1.707 0.020 1 352 38 54 ARG HD2 H 3.280 0.020 2 353 38 54 ARG HD3 H 3.208 0.020 2 354 38 54 ARG HE H 7.390 0.020 1 355 38 54 ARG HH11 H 6.803 0.020 1 356 38 54 ARG HH12 H 6.803 0.020 1 357 38 54 ARG HH21 H 6.759 0.020 1 358 38 54 ARG HH22 H 6.759 0.020 1 359 38 54 ARG C C 176.208 0.3 1 360 38 54 ARG CA C 57.491 0.3 1 361 38 54 ARG CB C 28.975 0.3 1 362 38 54 ARG CG C 27.486 0.3 1 363 38 54 ARG CD C 43.139 0.3 1 364 38 54 ARG N N 116.156 0.3 1 365 38 54 ARG NE N 84.493 0.3 1 366 39 55 LEU H H 8.317 0.020 1 367 39 55 LEU HA H 4.508 0.020 1 368 39 55 LEU HB2 H 1.757 0.020 2 369 39 55 LEU HB3 H 1.419 0.020 2 370 39 55 LEU HG H 1.752 0.020 1 371 39 55 LEU HD1 H 0.880 0.020 2 372 39 55 LEU HD2 H 0.809 0.020 2 373 39 55 LEU C C 175.702 0.3 1 374 39 55 LEU CA C 55.464 0.3 1 375 39 55 LEU CB C 42.181 0.3 1 376 39 55 LEU CG C 26.893 0.3 1 377 39 55 LEU CD1 C 25.137 0.3 1 378 39 55 LEU CD2 C 23.880 0.3 1 379 39 55 LEU N N 118.568 0.3 1 380 40 56 ALA H H 7.987 0.020 1 381 40 56 ALA HA H 4.001 0.020 1 382 40 56 ALA HB H 1.443 0.020 1 383 40 56 ALA C C 175.838 0.3 1 384 40 56 ALA CA C 55.097 0.3 1 385 40 56 ALA CB C 18.463 0.3 1 386 40 56 ALA N N 122.036 0.3 1 387 41 57 ALA H H 8.211 0.020 1 388 41 57 ALA HA H 4.120 0.020 1 389 41 57 ALA HB H 1.326 0.020 1 390 41 57 ALA C C 176.517 0.3 1 391 41 57 ALA CA C 54.608 0.3 1 392 41 57 ALA CB C 18.148 0.3 1 393 41 57 ALA N N 118.838 0.3 1 394 42 58 TYR H H 7.733 0.020 1 395 42 58 TYR HA H 4.397 0.020 1 396 42 58 TYR HB2 H 3.123 0.020 2 397 42 58 TYR HB3 H 3.039 0.020 2 398 42 58 TYR HD1 H 7.104 0.020 1 399 42 58 TYR HD2 H 7.104 0.020 1 400 42 58 TYR HE1 H 6.659 0.020 1 401 42 58 TYR HE2 H 6.659 0.020 1 402 42 58 TYR C C 174.633 0.3 1 403 42 58 TYR CA C 59.469 0.3 1 404 42 58 TYR CB C 38.712 0.3 1 405 42 58 TYR CD1 C 131.963 0.3 1 406 42 58 TYR CD2 C 131.963 0.3 1 407 42 58 TYR CE1 C 116.643 0.3 1 408 42 58 TYR CE2 C 116.643 0.3 1 409 42 58 TYR N N 116.522 0.3 1 410 43 59 ALA H H 7.999 0.020 1 411 43 59 ALA HA H 4.079 0.020 1 412 43 59 ALA HB H 1.420 0.020 1 413 43 59 ALA C C 175.241 0.3 1 414 43 59 ALA CA C 54.079 0.3 1 415 43 59 ALA CB C 18.812 0.3 1 416 43 59 ALA N N 121.180 0.3 1 417 44 60 ALA H H 8.050 0.020 1 418 44 60 ALA HA H 4.070 0.020 1 419 44 60 ALA HB H 1.436 0.020 1 420 44 60 ALA C C 175.092 0.3 1 421 44 60 ALA CA C 54.362 0.3 1 422 44 60 ALA CB C 18.668 0.3 1 423 44 60 ALA N N 118.999 0.3 1 424 45 61 ASN H H 7.893 0.020 1 425 45 61 ASN HA H 4.582 0.020 1 426 45 61 ASN HB2 H 2.869 0.020 2 427 45 61 ASN HB3 H 2.799 0.020 2 428 45 61 ASN HD21 H 6.760 0.020 1 429 45 61 ASN HD22 H 7.485 0.020 1 430 45 61 ASN CA C 54.920 0.3 1 431 45 61 ASN CB C 38.811 0.3 1 432 45 61 ASN N N 114.320 0.3 1 433 45 61 ASN ND2 N 112.364 0.3 1 434 46 62 ILE H H 7.769 0.020 1 435 46 62 ILE HA H 4.035 0.020 1 436 46 62 ILE HB H 1.934 0.020 1 437 46 62 ILE HG12 H 1.537 0.020 2 438 46 62 ILE HG13 H 1.206 0.020 2 439 46 62 ILE HG2 H 0.892 0.020 1 440 46 62 ILE HD1 H 0.820 0.020 1 441 46 62 ILE C C 173.344 0.3 1 442 46 62 ILE CA C 62.890 0.3 1 443 46 62 ILE CB C 38.467 0.3 1 444 46 62 ILE CG1 C 28.259 0.3 1 445 46 62 ILE CG2 C 17.794 0.3 1 446 46 62 ILE CD1 C 13.451 0.3 1 447 46 62 ILE N N 117.974 0.3 1 448 47 63 VAL H H 7.743 0.020 1 449 47 63 VAL HA H 3.952 0.020 1 450 47 63 VAL HB H 2.181 0.020 1 451 47 63 VAL HG1 H 0.944 0.020 2 452 47 63 VAL HG2 H 0.950 0.020 2 453 47 63 VAL C C 172.672 0.3 1 454 47 63 VAL CA C 63.551 0.3 1 455 47 63 VAL CB C 32.019 0.3 1 456 47 63 VAL CG1 C 21.267 0.3 1 457 47 63 VAL CG2 C 21.548 0.3 1 458 47 63 VAL N N 117.730 0.3 1 459 48 64 ASN H H 8.012 0.020 1 460 48 64 ASN HA H 4.688 0.020 1 461 48 64 ASN HB2 H 2.921 0.020 2 462 48 64 ASN HB3 H 2.823 0.020 2 463 48 64 ASN HD21 H 7.582 0.020 1 464 48 64 ASN HD22 H 6.912 0.020 1 465 48 64 ASN CA C 54.222 0.3 1 466 48 64 ASN CB C 39.045 0.3 1 467 48 64 ASN N N 119.320 0.3 1 468 48 64 ASN ND2 N 112.522 0.3 1 469 49 65 VAL H H 7.896 0.020 1 470 49 65 VAL HA H 4.068 0.020 1 471 49 65 VAL HB H 2.128 0.020 1 472 49 65 VAL HG1 H 0.981 0.020 2 473 49 65 VAL HG2 H 0.942 0.020 2 474 49 65 VAL C C 172.595 0.3 1 475 49 65 VAL CA C 63.106 0.3 1 476 49 65 VAL CB C 32.908 0.3 1 477 49 65 VAL CG1 C 21.262 0.3 1 478 49 65 VAL CG2 C 20.320 0.3 1 479 49 65 VAL N N 117.119 0.3 1 480 50 66 SER H H 8.197 0.020 1 481 50 66 SER HA H 4.523 0.020 1 482 50 66 SER HB2 H 3.898 0.020 1 483 50 66 SER HB3 H 3.898 0.020 1 484 50 66 SER C C 171.430 0.3 1 485 50 66 SER CA C 59.271 0.3 1 486 50 66 SER CB C 63.909 0.3 1 487 50 66 SER N N 116.389 0.3 1 488 51 67 LEU H H 8.145 0.020 1 489 51 67 LEU HA H 4.504 0.020 1 490 51 67 LEU HB2 H 1.758 0.020 1 491 51 67 LEU HB3 H 1.758 0.020 1 492 51 67 LEU HG H 1.735 0.020 1 493 51 67 LEU HD1 H 0.917 0.020 2 494 51 67 LEU HD2 H 0.902 0.020 2 495 51 67 LEU C C 174.110 0.3 1 496 51 67 LEU CA C 55.404 0.3 1 497 51 67 LEU CB C 42.926 0.3 1 498 51 67 LEU CG C 27.139 0.3 1 499 51 67 LEU CD1 C 25.554 0.3 1 500 51 67 LEU CD2 C 24.730 0.3 1 501 51 67 LEU N N 120.293 0.3 1 502 52 68 VAL H H 7.905 0.020 1 503 52 68 VAL HA H 3.689 0.020 1 504 52 68 VAL HB H 2.231 0.020 1 505 52 68 VAL HG1 H 1.014 0.020 2 506 52 68 VAL HG2 H 1.061 0.020 2 507 52 68 VAL C C 172.476 0.3 1 508 52 68 VAL CA C 66.579 0.3 1 509 52 68 VAL CB C 31.604 0.3 1 510 52 68 VAL CG1 C 21.440 0.3 1 511 52 68 VAL CG2 C 22.956 0.3 1 512 52 68 VAL N N 120.415 0.3 1 513 53 69 LYS H H 8.391 0.020 1 514 53 69 LYS HA H 4.235 0.020 1 515 53 69 LYS HB2 H 1.997 0.020 2 516 53 69 LYS HB3 H 1.888 0.020 2 517 53 69 LYS HG2 H 1.620 0.020 2 518 53 69 LYS HG3 H 1.443 0.020 2 519 53 69 LYS HD2 H 1.743 0.020 1 520 53 69 LYS HD3 H 1.743 0.020 1 521 53 69 LYS HE2 H 3.011 0.020 1 522 53 69 LYS HE3 H 3.011 0.020 1 523 53 69 LYS CA C 60.886 0.3 1 524 53 69 LYS CB C 29.940 0.3 1 525 53 69 LYS CG C 25.811 0.3 1 526 53 69 LYS CD C 29.325 0.3 1 527 53 69 LYS CE C 42.184 0.3 1 528 53 69 LYS N N 118.604 0.3 1 529 54 70 PRO HA H 4.423 0.020 1 530 54 70 PRO HB2 H 2.246 0.020 2 531 54 70 PRO HB3 H 1.828 0.020 2 532 54 70 PRO HG2 H 2.202 0.020 2 533 54 70 PRO HG3 H 1.984 0.020 2 534 54 70 PRO HD2 H 3.695 0.020 2 535 54 70 PRO HD3 H 3.649 0.020 2 536 54 70 PRO CA C 65.878 0.3 1 537 54 70 PRO CB C 31.620 0.3 1 538 54 70 PRO CG C 28.100 0.3 1 539 54 70 PRO CD C 50.237 0.3 1 540 55 71 THR H H 7.372 0.020 1 541 55 71 THR HA H 3.873 0.020 1 542 55 71 THR HB H 4.273 0.020 1 543 55 71 THR HG2 H 1.199 0.020 1 544 55 71 THR C C 172.822 0.3 1 545 55 71 THR CA C 67.679 0.3 1 546 55 71 THR CB C 67.555 0.3 1 547 55 71 THR CG2 C 22.105 0.3 1 548 55 71 THR N N 113.020 0.3 1 549 56 72 VAL H H 8.234 0.020 1 550 56 72 VAL HA H 3.697 0.020 1 551 56 72 VAL HB H 2.241 0.020 1 552 56 72 VAL HG1 H 1.040 0.020 2 553 56 72 VAL HG2 H 0.953 0.020 2 554 56 72 VAL C C 174.904 0.3 1 555 56 72 VAL CA C 66.640 0.3 1 556 56 72 VAL CB C 31.836 0.3 1 557 56 72 VAL CG1 C 22.435 0.3 1 558 56 72 VAL CG2 C 21.415 0.3 1 559 56 72 VAL N N 120.837 0.3 1 560 57 73 TYR H H 8.100 0.020 1 561 57 73 TYR HA H 4.202 0.020 1 562 57 73 TYR HB2 H 3.190 0.020 1 563 57 73 TYR HB3 H 3.190 0.020 1 564 57 73 TYR HD1 H 7.014 0.020 1 565 57 73 TYR HD2 H 7.014 0.020 1 566 57 73 TYR HE1 H 6.708 0.020 1 567 57 73 TYR HE2 H 6.708 0.020 1 568 57 73 TYR C C 174.969 0.3 1 569 57 73 TYR CA C 61.710 0.3 1 570 57 73 TYR CB C 38.974 0.3 1 571 57 73 TYR CD1 C 132.020 0.3 1 572 57 73 TYR CD2 C 132.020 0.3 1 573 57 73 TYR CE1 C 117.758 0.3 1 574 57 73 TYR CE2 C 117.758 0.3 1 575 57 73 TYR N N 121.376 0.3 1 576 58 74 VAL H H 8.238 0.020 1 577 58 74 VAL HA H 3.446 0.020 1 578 58 74 VAL HB H 2.276 0.020 1 579 58 74 VAL HG1 H 0.980 0.020 2 580 58 74 VAL HG2 H 0.919 0.020 2 581 58 74 VAL C C 174.250 0.3 1 582 58 74 VAL CA C 67.230 0.3 1 583 58 74 VAL CB C 31.710 0.3 1 584 58 74 VAL CG1 C 22.144 0.3 1 585 58 74 VAL CG2 C 23.282 0.3 1 586 58 74 VAL N N 118.770 0.3 1 587 59 75 TYR H H 8.542 0.020 1 588 59 75 TYR HA H 4.062 0.020 1 589 59 75 TYR HB2 H 3.129 0.020 2 590 59 75 TYR HB3 H 3.064 0.020 2 591 59 75 TYR HD1 H 6.973 0.020 1 592 59 75 TYR HD2 H 6.973 0.020 1 593 59 75 TYR HE1 H 6.692 0.020 1 594 59 75 TYR HE2 H 6.692 0.020 1 595 59 75 TYR C C 173.899 0.3 1 596 59 75 TYR CA C 61.532 0.3 1 597 59 75 TYR CB C 38.613 0.3 1 598 59 75 TYR CD1 C 131.980 0.3 1 599 59 75 TYR CD2 C 131.980 0.3 1 600 59 75 TYR CE1 C 117.244 0.3 1 601 59 75 TYR CE2 C 117.244 0.3 1 602 59 75 TYR N N 119.771 0.3 1 603 60 76 SER H H 8.297 0.020 1 604 60 76 SER HA H 3.882 0.020 1 605 60 76 SER HB2 H 3.952 0.020 1 606 60 76 SER HB3 H 3.952 0.020 1 607 60 76 SER C C 172.887 0.3 1 608 60 76 SER CA C 61.531 0.3 1 609 60 76 SER CB C 63.168 0.3 1 610 60 76 SER N N 112.388 0.3 1 611 61 77 ARG H H 7.591 0.020 1 612 61 77 ARG HA H 4.120 0.020 1 613 61 77 ARG HB2 H 1.797 0.020 2 614 61 77 ARG HB3 H 1.763 0.020 2 615 61 77 ARG HG2 H 1.429 0.020 1 616 61 77 ARG HG3 H 1.429 0.020 1 617 61 77 ARG HD2 H 2.977 0.020 2 618 61 77 ARG HD3 H 2.949 0.020 2 619 61 77 ARG HE H 7.165 0.020 1 620 61 77 ARG HH11 H 6.796 0.020 1 621 61 77 ARG HH12 H 6.796 0.020 1 622 61 77 ARG HH21 H 6.671 0.020 1 623 61 77 ARG HH22 H 6.671 0.020 1 624 61 77 ARG C C 175.399 0.3 1 625 61 77 ARG CA C 57.242 0.3 1 626 61 77 ARG CB C 29.798 0.3 1 627 61 77 ARG CG C 26.820 0.3 1 628 61 77 ARG CD C 42.317 0.3 1 629 61 77 ARG N N 119.689 0.3 1 630 61 77 ARG NE N 83.873 0.3 1 631 61 77 ARG NH1 N 71.912 0.3 1 632 61 77 ARG NH2 N 71.955 0.3 1 633 62 78 VAL H H 7.983 0.020 1 634 62 78 VAL HA H 3.834 0.020 1 635 62 78 VAL HB H 2.134 0.020 1 636 62 78 VAL HG1 H 0.986 0.020 2 637 62 78 VAL HG2 H 0.903 0.020 2 638 62 78 VAL C C 174.155 0.3 1 639 62 78 VAL CA C 64.635 0.3 1 640 62 78 VAL CB C 31.842 0.3 1 641 62 78 VAL CG1 C 22.048 0.3 1 642 62 78 VAL CG2 C 21.562 0.3 1 643 62 78 VAL N N 116.906 0.3 1 644 63 79 LYS H H 7.742 0.020 1 645 63 79 LYS HA H 3.987 0.020 1 646 63 79 LYS HB2 H 1.502 0.020 1 647 63 79 LYS HB3 H 1.502 0.020 1 648 63 79 LYS HG2 H 1.180 0.020 2 649 63 79 LYS HG3 H 1.124 0.020 2 650 63 79 LYS HD2 H 1.437 0.020 1 651 63 79 LYS HD3 H 1.437 0.020 1 652 63 79 LYS HE2 H 2.895 0.020 2 653 63 79 LYS HE3 H 2.853 0.020 2 654 63 79 LYS C C 173.615 0.3 1 655 63 79 LYS CA C 57.332 0.3 1 656 63 79 LYS CB C 31.657 0.3 1 657 63 79 LYS CG C 24.098 0.3 1 658 63 79 LYS CD C 28.869 0.3 1 659 63 79 LYS CE C 41.948 0.3 1 660 63 79 LYS N N 117.957 0.3 1 661 64 80 ASN H H 7.473 0.020 1 662 64 80 ASN HA H 4.749 0.020 1 663 64 80 ASN HB2 H 2.932 0.020 2 664 64 80 ASN HB3 H 2.602 0.020 2 665 64 80 ASN HD21 H 6.816 0.020 1 666 64 80 ASN HD22 H 7.527 0.020 1 667 64 80 ASN C C 171.750 0.3 1 668 64 80 ASN CA C 53.176 0.3 1 669 64 80 ASN CB C 39.394 0.3 1 670 64 80 ASN N N 116.284 0.3 1 671 64 80 ASN ND2 N 112.994 0.3 1 672 65 81 LEU H H 7.450 0.020 1 673 65 81 LEU HA H 4.093 0.020 1 674 65 81 LEU HB2 H 1.719 0.020 2 675 65 81 LEU HB3 H 1.557 0.020 2 676 65 81 LEU HG H 1.783 0.020 1 677 65 81 LEU HD1 H 0.911 0.020 2 678 65 81 LEU HD2 H 0.854 0.020 2 679 65 81 LEU C C 178.928 0.3 1 680 65 81 LEU CA C 56.765 0.3 1 681 65 81 LEU CB C 42.791 0.3 1 682 65 81 LEU CG C 26.923 0.3 1 683 65 81 LEU CD1 C 25.648 0.3 1 684 65 81 LEU CD2 C 23.620 0.3 1 685 65 81 LEU N N 125.153 0.3 1 stop_ save_