data_25793 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution Structure of the RNA-Binding domain of non-structural protein 1 from the 1918 H1N1 influenza virus ; _BMRB_accession_number 25793 _BMRB_flat_file_name bmr25793.str _Entry_type original _Submission_date 2015-09-03 _Accession_date 2015-09-11 _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 Jureka Alexander S. . 2 Kleinpeter Alexander B. . 3 Cornilescu Gabriel . . 4 Cornilescu Claudia C. . 5 Schwieters Charles D. . 6 Petit Chad M. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 384 "13C chemical shifts" 311 "15N chemical shifts" 71 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2016-07-22 update BMRB 'update entry citation' 2015-09-28 original author 'original release' stop_ _Original_release_date 2015-09-28 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Structural Basis for a Novel Interaction between the NS1 Protein Derived from the 1918 Influenza Virus and RIG-I ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 26365801 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Jureka Alexander S. . 2 Kleinpeter Alexander B. . 3 Cornilescu Gabriel . . 4 Cornilescu Claudia C. . 5 Schwieters Charles D. . 6 Petit Chad M. . stop_ _Journal_abbreviation Structure _Journal_volume 23 _Journal_issue 11 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 2001 _Page_last 2010 _Year 2015 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'RNA-Binding domain of non-structural protein 1 from the 1918 H1N1 influenza virus' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label entity $Influenza_NS1_RNA_Binding_Domain 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_Influenza_NS1_RNA_Binding_Domain _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Influenza_NS1_RNA_Binding_Domain _Molecular_mass 16801.115 _Mol_thiol_state . _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 73 _Mol_residue_sequence ; MDSNTVSSFQVDCFLWHVRK RFADQELGDAPFLDRLRRDQ KSLRGRGSTLGLDIETATRA GKQIVERILKEES ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 MET 2 2 ASP 3 3 SER 4 4 ASN 5 5 THR 6 6 VAL 7 7 SER 8 8 SER 9 9 PHE 10 10 GLN 11 11 VAL 12 12 ASP 13 13 CYS 14 14 PHE 15 15 LEU 16 16 TRP 17 17 HIS 18 18 VAL 19 19 ARG 20 20 LYS 21 21 ARG 22 22 PHE 23 23 ALA 24 24 ASP 25 25 GLN 26 26 GLU 27 27 LEU 28 28 GLY 29 29 ASP 30 30 ALA 31 31 PRO 32 32 PHE 33 33 LEU 34 34 ASP 35 35 ARG 36 36 LEU 37 37 ARG 38 38 ARG 39 39 ASP 40 40 GLN 41 41 LYS 42 42 SER 43 43 LEU 44 44 ARG 45 45 GLY 46 46 ARG 47 47 GLY 48 48 SER 49 49 THR 50 50 LEU 51 51 GLY 52 52 LEU 53 53 ASP 54 54 ILE 55 55 GLU 56 56 THR 57 57 ALA 58 58 THR 59 59 ARG 60 60 ALA 61 61 GLY 62 62 LYS 63 63 GLN 64 64 ILE 65 65 VAL 66 66 GLU 67 67 ARG 68 68 ILE 69 69 LEU 70 70 LYS 71 71 GLU 72 72 GLU 73 73 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 _Strain _Variant _Gene_mnemonic _Details $Influenza_NS1_RNA_Binding_Domain . . . . . . Influenza 'A/Brevig Mission/1/1918' 'non-structural protein 1' 'A/Brevig Mission/1/1918' 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 $Influenza_NS1_RNA_Binding_Domain 'recombinant technology' . Escherichia coli . pET-SUMO 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 $Influenza_NS1_RNA_Binding_Domain 1.0 mM '[U-13C; U-15N]' 'Ammonium Acetate pH 6.0' 300 mM 'natural abundance' EDTA 2.2 mM 'natural abundance' 'sodium azide' 0.1 % 'natural abundance' H2O 95 % 'natural abundance' D2O 5 % 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Influenza_NS1_RNA_Binding_Domain 1 mM [U-15N] 'Ammonium Acetate pH 6.0' 300 mM 'natural abundance' EDTA 2.0 mM 'natural abundance' 'sodium azide' 0.1 % 'natural abundance' H2O 95 % 'natural abundance' D2O 5 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_NMRView _Saveframe_category software _Name NMRView _Version . loop_ _Vendor _Address _Electronic_address 'Johnson, One Moon Scientific' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version . loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_X-PLOR_NIH _Saveframe_category software _Name X-PLOR_NIH _Version . loop_ _Vendor _Address _Electronic_address 'Schwieters, Kuszewski, Tjandra and Clore' . . stop_ loop_ _Task refinement stop_ _Details . save_ save_TALOS _Saveframe_category software _Name TALOS _Version . loop_ _Vendor _Address _Electronic_address 'Cornilescu, Delaglio and Bax' . . stop_ loop_ _Task refinement stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 850 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _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_HNCACB_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HNCO_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNHA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHA' _Sample_label $sample_1 save_ save_3D_HCCH-COSY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-COSY' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aliphatic_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _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' 300 . mM pH 6 . pH pressure 1 . atm temperature 273 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . 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 DSS P 31 'methyl protons' ppm 0.00 na indirect . . . 0.404808636 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name entity _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 2 2 ASP HA H 4.703 0.000 . 2 2 2 ASP HB2 H 2.758 0.000 . 3 2 2 ASP HB3 H 2.651 0.000 . 4 2 2 ASP C C 173.678 0.000 . 5 2 2 ASP CA C 51.357 0.000 . 6 2 2 ASP CB C 39.114 0.000 . 7 3 3 SER H H 8.745 0.000 . 8 3 3 SER HA H 4.237 0.000 . 9 3 3 SER HB2 H 4.025 0.000 . 10 3 3 SER HB3 H 3.911 0.000 . 11 3 3 SER C C 173.240 0.000 . 12 3 3 SER CA C 57.300 0.000 . 13 3 3 SER CB C 60.653 0.000 . 14 3 3 SER N N 118.993 0.000 . 15 4 4 ASN H H 8.865 0.000 . 16 4 4 ASN HA H 4.576 0.000 . 17 4 4 ASN HB2 H 2.716 0.000 . 18 4 4 ASN HB3 H 2.333 0.000 . 19 4 4 ASN C C 176.101 0.000 . 20 4 4 ASN CA C 52.488 0.000 . 21 4 4 ASN CB C 33.507 0.000 . 22 4 4 ASN N N 122.369 0.000 . 23 5 5 THR H H 8.200 0.000 . 24 5 5 THR HA H 4.330 0.000 . 25 5 5 THR HB H 4.138 0.000 . 26 5 5 THR HG2 H 1.294 0.000 . 27 5 5 THR C C 174.576 0.000 . 28 5 5 THR CA C 63.330 0.000 . 29 5 5 THR CB C 66.155 0.000 . 30 5 5 THR CG2 C 19.856 0.000 . 31 5 5 THR N N 122.349 0.000 . 32 6 6 VAL H H 7.590 0.000 . 33 6 6 VAL HA H 3.480 0.000 . 34 6 6 VAL HB H 2.170 0.000 . 35 6 6 VAL HG1 H 1.000 0.000 . 36 6 6 VAL HG2 H 0.880 0.000 . 37 6 6 VAL C C 174.988 0.000 . 38 6 6 VAL CA C 64.919 0.000 . 39 6 6 VAL CB C 28.699 0.000 . 40 6 6 VAL CG1 C 20.200 0.000 . 41 6 6 VAL CG2 C 18.100 0.000 . 42 6 6 VAL N N 124.255 0.000 . 43 7 7 SER H H 8.721 0.000 . 44 7 7 SER HA H 4.459 0.000 . 45 7 7 SER HB2 H 4.121 0.000 . 46 7 7 SER HB3 H 3.825 0.000 . 47 7 7 SER C C 173.494 0.000 . 48 7 7 SER CA C 59.174 0.000 . 49 7 7 SER CB C 60.020 0.000 . 50 7 7 SER N N 116.402 0.000 . 51 8 8 SER H H 8.213 0.000 . 52 8 8 SER HA H 3.745 0.000 . 53 8 8 SER HB2 H 3.907 0.000 . 54 8 8 SER HB3 H 4.015 0.000 . 55 8 8 SER C C 171.540 0.000 . 56 8 8 SER CA C 60.322 0.000 . 57 8 8 SER CB C 60.785 0.000 . 58 8 8 SER N N 116.463 0.000 . 59 9 9 PHE H H 7.387 0.000 . 60 9 9 PHE HA H 4.405 0.000 . 61 9 9 PHE HB2 H 3.090 0.000 . 62 9 9 PHE HB3 H 3.161 0.000 . 63 9 9 PHE HD1 H 6.867 0.000 . 64 9 9 PHE HD2 H 6.867 0.000 . 65 9 9 PHE HE1 H 7.095 0.000 . 66 9 9 PHE HE2 H 7.095 0.000 . 67 9 9 PHE HZ H 6.788 0.000 . 68 9 9 PHE C C 174.481 0.000 . 69 9 9 PHE CA C 58.488 0.000 . 70 9 9 PHE CB C 36.397 0.000 . 71 9 9 PHE CD1 C 128.156 0.000 . 72 9 9 PHE CD2 C 128.156 0.000 . 73 9 9 PHE CE1 C 129.094 0.000 . 74 9 9 PHE CE2 C 129.094 0.000 . 75 9 9 PHE CZ C 127.219 0.000 . 76 9 9 PHE N N 121.530 0.000 . 77 10 10 GLN H H 8.335 0.000 . 78 10 10 GLN HA H 3.516 0.000 . 79 10 10 GLN HB2 H 2.510 0.000 . 80 10 10 GLN HB3 H 1.568 0.000 . 81 10 10 GLN HG2 H 2.764 0.000 . 82 10 10 GLN HG3 H 2.320 0.000 . 83 10 10 GLN C C 176.083 0.000 . 84 10 10 GLN CA C 56.595 0.000 . 85 10 10 GLN CB C 23.672 0.000 . 86 10 10 GLN CG C 30.800 0.000 . 87 10 10 GLN N N 119.460 0.000 . 88 11 11 VAL H H 8.127 0.000 . 89 11 11 VAL HA H 3.300 0.000 . 90 11 11 VAL HB H 1.400 0.000 . 91 11 11 VAL HG1 H 0.150 0.000 . 92 11 11 VAL HG2 H 0.300 0.000 . 93 11 11 VAL C C 174.535 0.000 . 94 11 11 VAL CA C 65.180 0.000 . 95 11 11 VAL CB C 28.300 0.000 . 96 11 11 VAL CG1 C 21.460 0.000 . 97 11 11 VAL CG2 C 17.560 0.000 . 98 11 11 VAL N N 119.513 0.000 . 99 12 12 ASP H H 8.116 0.000 . 100 12 12 ASP HA H 4.414 0.000 . 101 12 12 ASP HB2 H 2.747 0.000 . 102 12 12 ASP HB3 H 2.517 0.000 . 103 12 12 ASP C C 177.940 0.000 . 104 12 12 ASP CA C 55.349 0.000 . 105 12 12 ASP CB C 37.275 0.000 . 106 12 12 ASP N N 120.959 0.000 . 107 13 13 CYS H H 8.448 0.000 . 108 13 13 CYS HA H 4.015 0.000 . 109 13 13 CYS HB2 H 2.650 0.000 . 110 13 13 CYS HB3 H 2.792 0.000 . 111 13 13 CYS C C 175.349 0.000 . 112 13 13 CYS CA C 62.384 0.000 . 113 13 13 CYS CB C 23.610 0.000 . 114 13 13 CYS N N 119.479 0.000 . 115 14 14 PHE H H 8.244 0.000 . 116 14 14 PHE HA H 4.460 0.000 . 117 14 14 PHE HB2 H 3.598 0.000 . 118 14 14 PHE HB3 H 2.682 0.000 . 119 14 14 PHE HD1 H 7.057 0.000 . 120 14 14 PHE HD2 H 7.057 0.000 . 121 14 14 PHE HE1 H 7.252 0.000 . 122 14 14 PHE HE2 H 7.252 0.000 . 123 14 14 PHE HZ H 7.143 0.000 . 124 14 14 PHE C C 174.143 0.000 . 125 14 14 PHE CA C 59.902 0.000 . 126 14 14 PHE CB C 35.907 0.000 . 127 14 14 PHE N N 121.085 0.000 . 128 15 15 LEU H H 9.072 0.000 . 129 15 15 LEU HA H 3.735 0.000 . 130 15 15 LEU HB2 H 1.950 0.000 . 131 15 15 LEU HB3 H 1.397 0.000 . 132 15 15 LEU HG H 2.067 0.000 . 133 15 15 LEU HD1 H 0.816 0.000 . 134 15 15 LEU HD2 H 0.780 0.000 . 135 15 15 LEU C C 176.261 0.000 . 136 15 15 LEU CA C 55.494 0.000 . 137 15 15 LEU CB C 36.676 0.000 . 138 15 15 LEU CG C 23.560 0.000 . 139 15 15 LEU CD1 C 19.640 0.000 . 140 15 15 LEU CD2 C 23.560 0.000 . 141 15 15 LEU N N 118.069 0.000 . 142 16 16 TRP H H 8.142 0.000 . 143 16 16 TRP HA H 3.660 0.000 . 144 16 16 TRP HB2 H 3.360 0.000 . 145 16 16 TRP HB3 H 3.090 0.000 . 146 16 16 TRP HD1 H 6.897 0.000 . 147 16 16 TRP HE1 H 10.423 0.000 . 148 16 16 TRP HE3 H 7.258 0.000 . 149 16 16 TRP HZ2 H 7.161 0.000 . 150 16 16 TRP HZ3 H 7.065 0.000 . 151 16 16 TRP HH2 H 7.035 0.000 . 152 16 16 TRP C C 173.925 0.000 . 153 16 16 TRP CA C 61.127 0.000 . 154 16 16 TRP CB C 26.247 0.000 . 155 16 16 TRP N N 120.587 0.000 . 156 16 16 TRP NE1 N 128.555 0.000 . 157 17 17 HIS H H 7.697 0.000 . 158 17 17 HIS HA H 4.022 0.000 . 159 17 17 HIS HB2 H 3.571 0.000 . 160 17 17 HIS HB3 H 3.318 0.000 . 161 17 17 HIS HD2 H 6.539 0.000 . 162 17 17 HIS HE1 H 8.256 0.000 . 163 17 17 HIS C C 173.650 0.000 . 164 17 17 HIS CA C 57.350 0.000 . 165 17 17 HIS CB C 25.231 0.000 . 166 17 17 HIS CD2 C 116.906 0.000 . 167 17 17 HIS CE1 C 134.719 0.000 . 168 17 17 HIS N N 117.927 0.000 . 169 18 18 VAL H H 7.651 0.000 . 170 18 18 VAL HA H 2.949 0.000 . 171 18 18 VAL HB H 1.964 0.000 . 172 18 18 VAL HG1 H 0.426 0.000 . 173 18 18 VAL HG2 H 0.761 0.000 . 174 18 18 VAL C C 174.321 0.000 . 175 18 18 VAL CA C 64.400 0.000 . 176 18 18 VAL CB C 28.400 0.000 . 177 18 18 VAL CG1 C 21.034 0.000 . 178 18 18 VAL CG2 C 19.675 0.000 . 179 18 18 VAL N N 118.787 0.000 . 180 19 19 ARG H H 7.602 0.000 . 181 19 19 ARG HA H 3.661 0.000 . 182 19 19 ARG HB2 H 1.559 0.000 . 183 19 19 ARG HB3 H 1.559 0.000 . 184 19 19 ARG C C 174.575 0.000 . 185 19 19 ARG CA C 57.558 0.000 . 186 19 19 ARG CB C 28.140 0.000 . 187 19 19 ARG CG C 25.020 0.000 . 188 19 19 ARG CD C 40.885 0.000 . 189 19 19 ARG N N 118.108 0.000 . 190 20 20 LYS H H 8.304 0.000 . 191 20 20 LYS HA H 3.530 0.000 . 192 20 20 LYS HB2 H 1.476 0.000 . 193 20 20 LYS HB3 H 0.209 0.000 . 194 20 20 LYS HG2 H 2.998 0.000 . 195 20 20 LYS HG3 H 3.046 0.000 . 196 20 20 LYS HD2 H 1.158 0.000 . 197 20 20 LYS HD3 H 1.246 0.000 . 198 20 20 LYS HE2 H 1.225 0.000 . 199 20 20 LYS HE3 H 1.225 0.000 . 200 20 20 LYS C C 174.970 0.000 . 201 20 20 LYS CA C 55.292 0.000 . 202 20 20 LYS CB C 28.420 0.000 . 203 20 20 LYS CG C 39.549 0.000 . 204 20 20 LYS CD C 21.581 0.000 . 205 20 20 LYS CE C 25.385 0.000 . 206 20 20 LYS N N 121.889 0.000 . 207 21 21 ARG H H 7.772 0.000 . 208 21 21 ARG HA H 3.915 0.000 . 209 21 21 ARG HB2 H 1.783 0.000 . 210 21 21 ARG HB3 H 1.589 0.000 . 211 21 21 ARG C C 176.513 0.000 . 212 21 21 ARG CA C 55.003 0.000 . 213 21 21 ARG CB C 26.002 0.000 . 214 21 21 ARG CG C 23.712 0.000 . 215 21 21 ARG CD C 38.842 0.000 . 216 21 21 ARG N N 118.825 0.000 . 217 22 22 PHE H H 7.799 0.000 . 218 22 22 PHE HA H 3.899 0.000 . 219 22 22 PHE HB2 H 3.263 0.000 . 220 22 22 PHE HB3 H 2.703 0.000 . 221 22 22 PHE HD1 H 6.616 0.000 . 222 22 22 PHE HD2 H 6.616 0.000 . 223 22 22 PHE HE1 H 6.314 0.000 . 224 22 22 PHE HE2 H 6.314 0.000 . 225 22 22 PHE HZ H 6.373 0.000 . 226 22 22 PHE C C 173.880 0.000 . 227 22 22 PHE CA C 58.542 0.000 . 228 22 22 PHE CB C 35.961 0.000 . 229 22 22 PHE CD1 C 129.094 0.000 . 230 22 22 PHE CD2 C 129.094 0.000 . 231 22 22 PHE CE1 C 128.625 0.000 . 232 22 22 PHE CE2 C 128.625 0.000 . 233 22 22 PHE CZ C 127.688 0.000 . 234 22 22 PHE N N 120.501 0.000 . 235 23 23 ALA H H 8.627 0.000 . 236 23 23 ALA HA H 3.720 0.000 . 237 23 23 ALA HB H 1.520 0.000 . 238 23 23 ALA C C 179.545 0.000 . 239 23 23 ALA CA C 51.750 0.000 . 240 23 23 ALA CB C 15.970 0.000 . 241 23 23 ALA N N 123.040 0.000 . 242 24 24 ASP H H 8.846 0.000 . 243 24 24 ASP HA H 4.323 0.000 . 244 24 24 ASP HB2 H 2.915 0.000 . 245 24 24 ASP HB3 H 2.800 0.000 . 246 24 24 ASP C C 175.020 0.000 . 247 24 24 ASP CA C 53.645 0.000 . 248 24 24 ASP CB C 37.158 0.000 . 249 24 24 ASP N N 121.514 0.000 . 250 25 25 GLN H H 7.192 0.000 . 251 25 25 GLN HA H 4.159 0.000 . 252 25 25 GLN HB2 H 2.108 0.000 . 253 25 25 GLN HB3 H 1.828 0.000 . 254 25 25 GLN HG2 H 2.470 0.000 . 255 25 25 GLN HG3 H 2.280 0.000 . 256 25 25 GLN C C 171.680 0.000 . 257 25 25 GLN CA C 53.101 0.000 . 258 25 25 GLN CB C 25.351 0.000 . 259 25 25 GLN CG C 31.418 0.000 . 260 25 25 GLN N N 118.127 0.000 . 261 26 26 GLU H H 7.975 0.000 . 262 26 26 GLU HA H 3.906 0.000 . 263 26 26 GLU HB2 H 2.122 0.000 . 264 26 26 GLU HB3 H 2.122 0.000 . 265 26 26 GLU HG2 H 2.045 0.000 . 266 26 26 GLU HG3 H 1.994 0.000 . 267 26 26 GLU C C 173.060 0.000 . 268 26 26 GLU CA C 54.352 0.000 . 269 26 26 GLU CB C 22.759 0.000 . 270 26 26 GLU CG C 33.660 0.000 . 271 26 26 GLU N N 112.361 0.000 . 272 27 27 LEU H H 5.781 0.000 . 273 27 27 LEU HA H 4.043 0.000 . 274 27 27 LEU HB2 H 0.754 0.000 . 275 27 27 LEU HB3 H -0.292 0.000 . 276 27 27 LEU HG H 1.002 0.000 . 277 27 27 LEU HD1 H 0.560 0.000 . 278 27 27 LEU HD2 H 0.57 0.000 . 279 27 27 LEU C C 172.610 0.000 . 280 27 27 LEU CA C 50.921 0.000 . 281 27 27 LEU CB C 40.359 0.000 . 282 27 27 LEU CG C 23.270 0.000 . 283 27 27 LEU CD1 C 22.990 0.000 . 284 27 27 LEU CD2 C 19.557 0.000 . 285 27 27 LEU N N 115.873 0.000 . 286 28 28 GLY H H 7.785 0.000 . 287 28 28 GLY HA2 H 4.063 0.000 . 288 28 28 GLY HA3 H 2.920 0.000 . 289 28 28 GLY C C 172.297 0.000 . 290 28 28 GLY CA C 41.348 0.000 . 291 28 28 GLY N N 103.011 0.000 . 292 29 29 ASP H H 7.515 0.000 . 293 29 29 ASP HA H 4.720 0.000 . 294 29 29 ASP HB2 H 3.127 0.000 . 295 29 29 ASP HB3 H 2.210 0.000 . 296 29 29 ASP C C 172.137 0.000 . 297 29 29 ASP CA C 48.748 0.000 . 298 29 29 ASP CB C 38.519 0.000 . 299 29 29 ASP N N 122.671 0.000 . 300 30 30 ALA H H 8.492 0.000 . 301 30 30 ALA HA H 4.240 0.000 . 302 30 30 ALA HB H 1.480 0.000 . 303 30 30 ALA CA C 54.400 0.000 . 304 30 30 ALA CB C 12.540 0.000 . 305 30 30 ALA N N 119.757 0.000 . 306 31 31 PRO HA H 4.361 0.000 . 307 31 31 PRO HB2 H 2.264 0.000 . 308 31 31 PRO HB3 H 2.020 0.000 . 309 31 31 PRO HG2 H 2.163 0.000 . 310 31 31 PRO HG3 H 1.828 0.000 . 311 31 31 PRO HD2 H 3.619 0.000 . 312 31 31 PRO HD3 H 3.756 0.000 . 313 31 31 PRO C C 175.699 0.000 . 314 31 31 PRO CA C 63.220 0.000 . 315 31 31 PRO CB C 28.336 0.000 . 316 31 31 PRO CG C 25.583 0.000 . 317 31 31 PRO CD C 47.600 0.000 . 318 32 32 PHE H H 7.949 0.000 . 319 32 32 PHE HA H 3.885 0.000 . 320 32 32 PHE HB2 H 3.468 0.000 . 321 32 32 PHE HB3 H 3.345 0.000 . 322 32 32 PHE HD1 H 7.116 0.000 . 323 32 32 PHE HD2 H 7.116 0.000 . 324 32 32 PHE HE1 H 7.375 0.000 . 325 32 32 PHE HE2 H 7.375 0.000 . 326 32 32 PHE HZ H 6.848 0.000 . 327 32 32 PHE C C 176.949 0.000 . 328 32 32 PHE CA C 59.685 0.000 . 329 32 32 PHE CB C 36.778 0.000 . 330 32 32 PHE CD1 C 129.328 0.000 . 331 32 32 PHE CD2 C 129.328 0.000 . 332 32 32 PHE CE1 C 129.094 0.000 . 333 32 32 PHE CE2 C 129.094 0.000 . 334 32 32 PHE CZ C 127.453 0.000 . 335 32 32 PHE N N 119.824 0.000 . 336 33 33 LEU H H 8.386 0.000 . 337 33 33 LEU HA H 4.063 0.000 . 338 33 33 LEU HB2 H 2.035 0.000 . 339 33 33 LEU HB3 H 1.520 0.000 . 340 33 33 LEU HG H 1.889 0.000 . 341 33 33 LEU HD1 H 0.843 0.000 . 342 33 33 LEU HD2 H 0.993 0.000 . 343 33 33 LEU C C 176.490 0.000 . 344 33 33 LEU CA C 54.968 0.000 . 345 33 33 LEU CB C 38.335 0.000 . 346 33 33 LEU CG C 24.373 0.000 . 347 33 33 LEU CD1 C 22.400 0.000 . 348 33 33 LEU CD2 C 20.205 0.000 . 349 33 33 LEU N N 121.755 0.000 . 350 34 34 ASP H H 8.252 0.000 . 351 34 34 ASP HA H 4.399 0.000 . 352 34 34 ASP HB2 H 2.743 0.000 . 353 34 34 ASP HB3 H 2.743 0.000 . 354 34 34 ASP C C 176.196 0.000 . 355 34 34 ASP CA C 54.871 0.000 . 356 34 34 ASP CB C 38.471 0.000 . 357 34 34 ASP N N 121.771 0.000 . 358 35 35 ARG H H 8.197 0.000 . 359 35 35 ARG HA H 3.818 0.000 . 360 35 35 ARG HB2 H 1.817 0.000 . 361 35 35 ARG HB3 H 1.398 0.000 . 362 35 35 ARG C C 175.752 0.000 . 363 35 35 ARG CA C 57.302 0.000 . 364 35 35 ARG CB C 27.486 0.000 . 365 35 35 ARG CG C 26.001 0.000 . 366 35 35 ARG CD C 40.232 0.000 . 367 35 35 ARG N N 119.119 0.000 . 368 36 36 LEU H H 7.735 0.000 . 369 36 36 LEU HA H 3.872 0.000 . 370 36 36 LEU HB2 H 2.074 0.000 . 371 36 36 LEU HB3 H 1.233 0.000 . 372 36 36 LEU HG H 1.417 0.000 . 373 36 36 LEU HD1 H 0.583 0.000 . 374 36 36 LEU HD2 H -0.046 0.000 . 375 36 36 LEU C C 177.676 0.000 . 376 36 36 LEU CA C 55.818 0.000 . 377 36 36 LEU CB C 40.156 0.000 . 378 36 36 LEU CG C 23.240 0.000 . 379 36 36 LEU CD1 C 23.900 0.000 . 380 36 36 LEU CD2 C 21.510 0.000 . 381 36 36 LEU N N 120.940 0.000 . 382 37 37 ARG H H 8.006 0.000 . 383 37 37 ARG HA H 4.241 0.000 . 384 37 37 ARG HB2 H 2.025 0.000 . 385 37 37 ARG HB3 H 1.979 0.000 . 386 37 37 ARG C C 174.571 0.000 . 387 37 37 ARG CA C 56.891 0.000 . 388 37 37 ARG CB C 27.936 0.000 . 389 37 37 ARG CG C 25.049 0.000 . 390 37 37 ARG CD C 40.820 0.000 . 391 37 37 ARG N N 120.596 0.000 . 392 38 38 ARG H H 8.307 0.000 . 393 38 38 ARG HA H 3.987 0.000 . 394 38 38 ARG HB2 H 1.868 0.000 . 395 38 38 ARG HB3 H 1.870 0.000 . 396 38 38 ARG C C 177.290 0.000 . 397 38 38 ARG CA C 57.131 0.000 . 398 38 38 ARG CB C 27.450 0.000 . 399 38 38 ARG CG C 25.102 0.000 . 400 38 38 ARG CD C 40.873 0.000 . 401 38 38 ARG N N 121.436 0.000 . 402 39 39 ASP H H 8.737 0.000 . 403 39 39 ASP HA H 4.529 0.000 . 404 39 39 ASP HB2 H 2.908 0.000 . 405 39 39 ASP HB3 H 2.805 0.000 . 406 39 39 ASP C C 174.864 0.000 . 407 39 39 ASP CA C 53.700 0.000 . 408 39 39 ASP CB C 37.158 0.000 . 409 39 39 ASP N N 120.034 0.000 . 410 40 40 GLN H H 7.954 0.000 . 411 40 40 GLN HA H 2.999 0.000 . 412 40 40 GLN HB2 H 2.292 0.000 . 413 40 40 GLN HB3 H 2.169 0.000 . 414 40 40 GLN HG2 H 1.875 0.000 . 415 40 40 GLN HG3 H 1.643 0.000 . 416 40 40 GLN C C 175.010 0.000 . 417 40 40 GLN CA C 56.747 0.000 . 418 40 40 GLN CB C 25.196 0.000 . 419 40 40 GLN CG C 30.553 0.000 . 420 40 40 GLN N N 121.853 0.000 . 421 41 41 LYS H H 7.014 0.000 . 422 41 41 LYS HA H 3.914 0.000 . 423 41 41 LYS HB2 H 1.939 0.000 . 424 41 41 LYS HB3 H 1.940 0.000 . 425 41 41 LYS HG2 H 2.925 0.000 . 426 41 41 LYS HG3 H 2.925 0.000 . 427 41 41 LYS HD2 H 1.554 0.000 . 428 41 41 LYS HD3 H 1.371 0.000 . 429 41 41 LYS HE2 H 1.660 0.000 . 430 41 41 LYS HE3 H 1.660 0.000 . 431 41 41 LYS C C 177.117 0.000 . 432 41 41 LYS CA C 56.689 0.000 . 433 41 41 LYS CB C 29.446 0.000 . 434 41 41 LYS CG C 39.135 0.000 . 435 41 41 LYS CD C 22.404 0.000 . 436 41 41 LYS CE C 26.447 0.000 . 437 41 41 LYS N N 117.346 0.000 . 438 42 42 SER H H 7.875 0.000 . 439 42 42 SER HA H 4.262 0.000 . 440 42 42 SER HB2 H 3.965 0.000 . 441 42 42 SER HB3 H 3.965 0.000 . 442 42 42 SER C C 175.262 0.000 . 443 42 42 SER CA C 58.256 0.000 . 444 42 42 SER CB C 59.683 0.000 . 445 42 42 SER N N 115.844 0.000 . 446 43 43 LEU H H 8.736 0.000 . 447 43 43 LEU HA H 4.082 0.000 . 448 43 43 LEU HB2 H 1.682 0.000 . 449 43 43 LEU HB3 H 1.179 0.000 . 450 43 43 LEU HG H 1.671 0.000 . 451 43 43 LEU HD1 H 0.473 0.000 . 452 43 43 LEU HD2 H 0.773 0.000 . 453 43 43 LEU C C 176.505 0.000 . 454 43 43 LEU CA C 55.621 0.000 . 455 43 43 LEU CB C 38.460 0.000 . 456 43 43 LEU CG C 24.070 0.000 . 457 43 43 LEU CD1 C 22.700 0.000 . 458 43 43 LEU CD2 C 21.000 0.000 . 459 43 43 LEU N N 123.254 0.000 . 460 44 44 ARG H H 7.686 0.000 . 461 44 44 ARG HA H 4.011 0.000 . 462 44 44 ARG HB2 H 1.852 0.000 . 463 44 44 ARG C C 177.379 0.000 . 464 44 44 ARG CA C 56.911 0.000 . 465 44 44 ARG CB C 26.602 0.000 . 466 44 44 ARG CG C 24.942 0.000 . 467 44 44 ARG CD C 40.873 0.000 . 468 44 44 ARG N N 118.877 0.000 . 469 45 45 GLY H H 7.762 0.000 . 470 45 45 GLY HA2 H 3.850 0.000 . 471 45 45 GLY HA3 H 3.940 0.000 . 472 45 45 GLY C C 173.935 0.000 . 473 45 45 GLY CA C 44.395 0.000 . 474 45 45 GLY N N 107.372 0.000 . 475 46 46 ARG H H 8.381 0.000 . 476 46 46 ARG HA H 3.902 0.000 . 477 46 46 ARG HB2 H 1.833 0.000 . 478 46 46 ARG C C 175.910 0.000 . 479 46 46 ARG CA C 56.375 0.000 . 480 46 46 ARG CB C 28.851 0.000 . 481 46 46 ARG CG C 23.672 0.000 . 482 46 46 ARG N N 123.780 0.000 . 483 47 47 GLY H H 8.782 0.000 . 484 47 47 GLY HA2 H 3.680 0.000 . 485 47 47 GLY HA3 H 3.045 0.000 . 486 47 47 GLY C C 173.406 0.000 . 487 47 47 GLY CA C 45.429 0.000 . 488 47 47 GLY N N 107.330 0.000 . 489 48 48 SER H H 7.737 0.000 . 490 48 48 SER HA H 4.200 0.000 . 491 48 48 SER HB2 H 3.972 0.000 . 492 48 48 SER HB3 H 3.972 0.000 . 493 48 48 SER C C 174.824 0.000 . 494 48 48 SER CA C 58.531 0.000 . 495 48 48 SER CB C 59.837 0.000 . 496 48 48 SER N N 116.214 0.000 . 497 49 49 THR H H 7.784 0.000 . 498 49 49 THR HA H 3.885 0.000 . 499 49 49 THR HB H 4.125 0.000 . 500 49 49 THR HG2 H 1.137 0.000 . 501 49 49 THR C C 173.322 0.000 . 502 49 49 THR CA C 63.385 0.000 . 503 49 49 THR CB C 65.997 0.000 . 504 49 49 THR CG2 C 18.931 0.000 . 505 49 49 THR N N 118.158 0.000 . 506 50 50 LEU H H 7.734 0.000 . 507 50 50 LEU HA H 4.050 0.000 . 508 50 50 LEU HB2 H 1.228 0.000 . 509 50 50 LEU HB3 H 1.228 0.000 . 510 50 50 LEU HG H 1.540 0.000 . 511 50 50 LEU HD1 H 0.235 0.000 . 512 50 50 LEU HD2 H 0.665 0.000 . 513 50 50 LEU C C 174.153 0.000 . 514 50 50 LEU CA C 52.580 0.000 . 515 50 50 LEU CB C 39.994 0.000 . 516 50 50 LEU CG C 23.600 0.000 . 517 50 50 LEU CD1 C 22.700 0.000 . 518 50 50 LEU CD2 C 19.630 0.000 . 519 50 50 LEU N N 118.727 0.000 . 520 51 51 GLY H H 7.698 0.000 . 521 51 51 GLY HA2 H 3.856 0.000 . 522 51 51 GLY HA3 H 3.772 0.000 . 523 51 51 GLY C C 171.597 0.000 . 524 51 51 GLY CA C 43.400 0.000 . 525 51 51 GLY N N 108.894 0.000 . 526 52 52 LEU H H 7.661 0.000 . 527 52 52 LEU HA H 4.638 0.000 . 528 52 52 LEU HB2 H 1.532 0.000 . 529 52 52 LEU HB3 H 1.234 0.000 . 530 52 52 LEU HG H 1.390 0.000 . 531 52 52 LEU HD1 H 0.840 0.000 . 532 52 52 LEU HD2 H 0.870 0.000 . 533 52 52 LEU C C 172.244 0.000 . 534 52 52 LEU CA C 50.261 0.000 . 535 52 52 LEU CB C 42.411 0.000 . 536 52 52 LEU CG C 23.800 0.000 . 537 52 52 LEU CD1 C 23.820 0.000 . 538 52 52 LEU CD2 C 20.315 0.000 . 539 52 52 LEU N N 119.252 0.000 . 540 53 53 ASP H H 8.127 0.000 . 541 53 53 ASP HA H 4.658 0.000 . 542 53 53 ASP HB2 H 2.792 0.000 . 543 53 53 ASP HB3 H 2.607 0.000 . 544 53 53 ASP C C 174.204 0.000 . 545 53 53 ASP CA C 50.435 0.000 . 546 53 53 ASP CB C 40.206 0.000 . 547 53 53 ASP N N 121.433 0.000 . 548 54 54 ILE H H 8.788 0.000 . 549 54 54 ILE HA H 3.797 0.000 . 550 54 54 ILE HB H 1.814 0.000 . 551 54 54 ILE HG12 H 1.308 0.000 . 552 54 54 ILE HG13 H 1.739 0.000 . 553 54 54 ILE HG2 H 0.754 0.000 . 554 54 54 ILE HD1 H 0.795 0.000 . 555 54 54 ILE C C 176.613 0.000 . 556 54 54 ILE CA C 62.133 0.000 . 557 54 54 ILE CB C 35.036 0.000 . 558 54 54 ILE CG1 C 27.133 0.000 . 559 54 54 ILE CG2 C 14.318 0.000 . 560 54 54 ILE CD1 C 10.156 0.000 . 561 54 54 ILE N N 125.804 0.000 . 562 55 55 GLU H H 8.945 0.000 . 563 55 55 GLU HA H 4.009 0.000 . 564 55 55 GLU HB2 H 2.160 0.000 . 565 55 55 GLU HB3 H 2.053 0.000 . 566 55 55 GLU HG2 H 2.273 0.000 . 567 55 55 GLU HG3 H 2.273 0.000 . 568 55 55 GLU C C 176.730 0.000 . 569 55 55 GLU CA C 57.998 0.000 . 570 55 55 GLU CB C 25.895 0.000 . 571 55 55 GLU CG C 33.600 0.000 . 572 55 55 GLU N N 125.797 0.000 . 573 56 56 THR H H 8.240 0.000 . 574 56 56 THR HA H 3.817 0.000 . 575 56 56 THR HB H 4.214 0.000 . 576 56 56 THR HG2 H 1.240 0.000 . 577 56 56 THR C C 174.617 0.000 . 578 56 56 THR CA C 63.766 0.000 . 579 56 56 THR CB C 65.452 0.000 . 580 56 56 THR CG2 C 18.900 0.000 . 581 56 56 THR N N 117.286 0.000 . 582 57 57 ALA H H 8.121 0.000 . 583 57 57 ALA HA H 4.230 0.000 . 584 57 57 ALA HB H 1.490 0.000 . 585 57 57 ALA C C 176.346 0.000 . 586 57 57 ALA CA C 52.650 0.000 . 587 57 57 ALA CB C 17.400 0.000 . 588 57 57 ALA N N 125.072 0.000 . 589 58 58 THR H H 8.381 0.000 . 590 58 58 THR HA H 3.632 0.000 . 591 58 58 THR HB H 4.410 0.000 . 592 58 58 THR C C 172.862 0.000 . 593 58 58 THR CA C 65.100 0.000 . 594 58 58 THR CB C 66.100 0.000 . 595 58 58 THR CG2 C 18.315 0.000 . 596 58 58 THR N N 115.752 0.000 . 597 59 59 ARG H H 7.245 0.000 . 598 59 59 ARG HA H 3.911 0.000 . 599 59 59 ARG HB2 H 1.858 0.000 . 600 59 59 ARG C C 176.099 0.000 . 601 59 59 ARG CA C 56.616 0.000 . 602 59 59 ARG CB C 27.022 0.000 . 603 59 59 ARG CG C 25.085 0.000 . 604 59 59 ARG CD C 40.910 0.000 . 605 59 59 ARG N N 120.537 0.000 . 606 60 60 ALA H H 7.489 0.000 . 607 60 60 ALA HA H 4.120 0.000 . 608 60 60 ALA HB H 1.370 0.000 . 609 60 60 ALA C C 178.745 0.000 . 610 60 60 ALA CA C 52.000 0.000 . 611 60 60 ALA CB C 15.824 0.000 . 612 60 60 ALA N N 121.996 0.000 . 613 61 61 GLY H H 8.721 0.000 . 614 61 61 GLY HA2 H 3.839 0.000 . 615 61 61 GLY HA3 H 3.353 0.000 . 616 61 61 GLY C C 171.515 0.000 . 617 61 61 GLY CA C 43.797 0.000 . 618 61 61 GLY N N 108.024 0.000 . 619 62 62 LYS H H 7.683 0.000 . 620 62 62 LYS HA H 1.780 0.000 . 621 62 62 LYS HB2 H 1.654 0.000 . 622 62 62 LYS HB3 H 1.149 0.000 . 623 62 62 LYS HG2 H 2.867 0.000 . 624 62 62 LYS HG3 H 2.867 0.000 . 625 62 62 LYS HD2 H 0.623 0.000 . 626 62 62 LYS HD3 H 0.828 0.000 . 627 62 62 LYS HE2 H 1.514 0.000 . 628 62 62 LYS HE3 H 1.459 0.000 . 629 62 62 LYS C C 174.612 0.000 . 630 62 62 LYS CA C 56.683 0.000 . 631 62 62 LYS CB C 29.920 0.000 . 632 62 62 LYS CG C 39.427 0.000 . 633 62 62 LYS CD C 21.545 0.000 . 634 62 62 LYS CE C 26.924 0.000 . 635 62 62 LYS N N 123.393 0.000 . 636 63 63 GLN H H 6.637 0.000 . 637 63 63 GLN HA H 3.920 0.000 . 638 63 63 GLN HB2 H 2.060 0.000 . 639 63 63 GLN HB3 H 2.060 0.000 . 640 63 63 GLN HG2 H 2.280 0.000 . 641 63 63 GLN HG3 H 2.400 0.000 . 642 63 63 GLN C C 176.294 0.000 . 643 63 63 GLN CA C 55.604 0.000 . 644 63 63 GLN CB C 25.557 0.000 . 645 63 63 GLN CG C 31.173 0.000 . 646 63 63 GLN N N 114.582 0.000 . 647 64 64 ILE H H 7.092 0.000 . 648 64 64 ILE HA H 3.571 0.000 . 649 64 64 ILE HB H 1.718 0.000 . 650 64 64 ILE HG12 H 0.973 0.000 . 651 64 64 ILE HG13 H 1.759 0.000 . 652 64 64 ILE HG2 H 0.843 0.000 . 653 64 64 ILE HD1 H 0.925 0.000 . 654 64 64 ILE C C 175.402 0.000 . 655 64 64 ILE CA C 62.529 0.000 . 656 64 64 ILE CB C 36.198 0.000 . 657 64 64 ILE CG1 C 25.732 0.000 . 658 64 64 ILE CG2 C 14.524 0.000 . 659 64 64 ILE CD1 C 11.474 0.000 . 660 64 64 ILE N N 119.051 0.000 . 661 65 65 VAL H H 8.103 0.000 . 662 65 65 VAL HA H 3.386 0.000 . 663 65 65 VAL HB H 1.964 0.000 . 664 65 65 VAL HG1 H 0.980 0.000 . 665 65 65 VAL HG2 H 0.946 0.000 . 666 65 65 VAL C C 174.546 0.000 . 667 65 65 VAL CA C 64.500 0.000 . 668 65 65 VAL CB C 28.300 0.000 . 669 65 65 VAL CG1 C 21.900 0.000 . 670 65 65 VAL CG2 C 18.460 0.000 . 671 65 65 VAL N N 118.800 0.000 . 672 66 66 GLU H H 8.654 0.000 . 673 66 66 GLU HA H 3.810 0.000 . 674 66 66 GLU HB2 H 2.019 0.000 . 675 66 66 GLU HB3 H 1.832 0.000 . 676 66 66 GLU HG2 H 2.364 0.000 . 677 66 66 GLU HG3 H 2.064 0.000 . 678 66 66 GLU C C 176.292 0.000 . 679 66 66 GLU CA C 57.618 0.000 . 680 66 66 GLU CB C 26.391 0.000 . 681 66 66 GLU CG C 34.591 0.000 . 682 66 66 GLU N N 118.966 0.000 . 683 67 67 ARG H H 7.270 0.000 . 684 67 67 ARG HA H 3.990 0.000 . 685 67 67 ARG HB2 H 1.991 0.000 . 686 67 67 ARG HB3 H 1.873 0.000 . 687 67 67 ARG C C 176.039 0.000 . 688 67 67 ARG CA C 56.996 0.000 . 689 67 67 ARG CB C 26.783 0.000 . 690 67 67 ARG CG C 24.690 0.000 . 691 67 67 ARG CD C 40.910 0.000 . 692 67 67 ARG N N 118.499 0.000 . 693 68 68 ILE H H 7.569 0.000 . 694 68 68 ILE HA H 3.721 0.000 . 695 68 68 ILE HB H 2.010 0.000 . 696 68 68 ILE HG12 H 1.075 0.000 . 697 68 68 ILE HG13 H 1.752 0.000 . 698 68 68 ILE HG2 H 0.824 0.000 . 699 68 68 ILE HD1 H 0.795 0.000 . 700 68 68 ILE C C 176.061 0.000 . 701 68 68 ILE CA C 61.970 0.000 . 702 68 68 ILE CB C 35.254 0.000 . 703 68 68 ILE CG1 C 26.474 0.000 . 704 68 68 ILE CG2 C 14.483 0.000 . 705 68 68 ILE CD1 C 10.980 0.000 . 706 68 68 ILE N N 120.031 0.000 . 707 69 69 LEU H H 8.305 0.000 . 708 69 69 LEU HA H 4.127 0.000 . 709 69 69 LEU HB2 H 1.822 0.000 . 710 69 69 LEU HB3 H 1.659 0.000 . 711 69 69 LEU HG H 1.930 0.000 . 712 69 69 LEU HD1 H 0.918 0.000 . 713 69 69 LEU HD2 H 0.980 0.000 . 714 69 69 LEU C C 176.859 0.000 . 715 69 69 LEU CA C 54.525 0.000 . 716 69 69 LEU CB C 38.150 0.000 . 717 69 69 LEU CG C 24.537 0.000 . 718 69 69 LEU CD1 C 22.800 0.000 . 719 69 69 LEU CD2 C 20.481 0.000 . 720 69 69 LEU N N 118.859 0.000 . 721 70 70 LYS H H 7.748 0.000 . 722 70 70 LYS HA H 4.098 0.000 . 723 70 70 LYS HB2 H 1.904 0.000 . 724 70 70 LYS HB3 H 1.900 0.000 . 725 70 70 LYS HG2 H 2.899 0.000 . 726 70 70 LYS HG3 H 2.899 0.000 . 727 70 70 LYS HD2 H 1.525 0.000 . 728 70 70 LYS HD3 H 1.451 0.000 . 729 70 70 LYS HE2 H 1.624 0.000 . 730 70 70 LYS HE3 H 1.624 0.000 . 731 70 70 LYS C C 175.484 0.000 . 732 70 70 LYS CA C 55.580 0.000 . 733 70 70 LYS CB C 29.700 0.000 . 734 70 70 LYS CG C 39.173 0.000 . 735 70 70 LYS CD C 22.354 0.000 . 736 70 70 LYS CE C 26.240 0.000 . 737 70 70 LYS N N 119.685 0.000 . 738 71 71 GLU H H 7.644 0.000 . 739 71 71 GLU HA H 4.175 0.000 . 740 71 71 GLU HB2 H 2.042 0.000 . 741 71 71 GLU HB3 H 2.100 0.000 . 742 71 71 GLU HG2 H 2.467 0.000 . 743 71 71 GLU HG3 H 2.254 0.000 . 744 71 71 GLU C C 174.094 0.000 . 745 71 71 GLU CA C 54.411 0.000 . 746 71 71 GLU CB C 27.038 0.000 . 747 71 71 GLU CG C 33.602 0.000 . 748 71 71 GLU N N 118.055 0.000 . 749 72 72 GLU H H 7.603 0.000 . 750 72 72 GLU HA H 4.164 0.000 . 751 72 72 GLU HB2 H 1.825 0.000 . 752 72 72 GLU HB3 H 2.115 0.000 . 753 72 72 GLU HG2 H 2.467 0.000 . 754 72 72 GLU HG3 H 2.276 0.000 . 755 72 72 GLU C C 172.677 0.000 . 756 72 72 GLU CA C 53.047 0.000 . 757 72 72 GLU CB C 25.297 0.000 . 758 72 72 GLU CG C 31.500 0.000 . 759 72 72 GLU N N 118.922 0.000 . 760 73 73 SER H H 7.694 0.000 . 761 73 73 SER HA H 4.230 0.000 . 762 73 73 SER HB2 H 3.827 0.000 . 763 73 73 SER HB3 H 3.827 0.000 . 764 73 73 SER CA C 57.391 0.000 . 765 73 73 SER CB C 62.075 0.000 . 766 73 73 SER N N 122.295 0.000 . stop_ save_