data_15790 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR STRUCTURE OF THE N-TERMINAL COILED COIL DOMAIN OF THE ANDES HANTAVIRUS NUCLEOCAPSID PROTEIN ; _BMRB_accession_number 15790 _BMRB_flat_file_name bmr15790.str _Entry_type original _Submission_date 2008-05-30 _Accession_date 2008-05-30 _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 Wang Yu . . 2 Boudreaux Daniel M. . 3 Estrada David F. . 4 Egan Chet W. . 5 'St. Jeor' Stephen C. . 6 'De Guzman' Roberto N. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 550 "13C chemical shifts" 416 "15N chemical shifts" 96 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-05-27 update BMRB 'update entity/assembly name' 2009-02-24 update BMRB 'complete entry citation' 2008-08-06 update author 'update entry citation' 2008-07-29 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'NMR STRUCTURE OF THE N-TERMINAL COILED COIL DOMAIN OF THE ANDES HANTAVIRUS NUCLEOCAPSID PROTEIN' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 18687679 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Wang Yu . . 2 Boudreaux Daniel M. . 3 Estrada David F. . 4 Egan Chet W. . 5 'St. Jeor' Stephen C. . 6 'De Guzman' Roberto N. . stop_ _Journal_abbreviation 'J. Biol. Chem.' _Journal_volume 283 _Journal_issue 42 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 28297 _Page_last 28304 _Year 2008 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'ANDES HANTAVIRUS NUCLEOCAPSID PROTEIN' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'ANDES HANTAVIRUS NUCLEOCAPSID PROTEIN' $entity 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_entity _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'ANDES HANTAVIRUS NUCLEOCAPSID PROTEIN' _Molecular_mass 12071.731 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 107 _Mol_residue_sequence ; MHHHHHHGKPIPNPLLGLDS TENLYFQGIDPFTMSTLQEL QENITAHEQQLVTARQKLKD AEKAVEVDPDDVNKSTLQNR RAAVSTLETKLGELKRQLAD LVAAQKL ; loop_ _Residue_seq_code _Residue_label 1 MET 2 HIS 3 HIS 4 HIS 5 HIS 6 HIS 7 HIS 8 GLY 9 LYS 10 PRO 11 ILE 12 PRO 13 ASN 14 PRO 15 LEU 16 LEU 17 GLY 18 LEU 19 ASP 20 SER 21 THR 22 GLU 23 ASN 24 LEU 25 TYR 26 PHE 27 GLN 28 GLY 29 ILE 30 ASP 31 PRO 32 PHE 33 THR 34 MET 35 SER 36 THR 37 LEU 38 GLN 39 GLU 40 LEU 41 GLN 42 GLU 43 ASN 44 ILE 45 THR 46 ALA 47 HIS 48 GLU 49 GLN 50 GLN 51 LEU 52 VAL 53 THR 54 ALA 55 ARG 56 GLN 57 LYS 58 LEU 59 LYS 60 ASP 61 ALA 62 GLU 63 LYS 64 ALA 65 VAL 66 GLU 67 VAL 68 ASP 69 PRO 70 ASP 71 ASP 72 VAL 73 ASN 74 LYS 75 SER 76 THR 77 LEU 78 GLN 79 ASN 80 ARG 81 ARG 82 ALA 83 ALA 84 VAL 85 SER 86 THR 87 LEU 88 GLU 89 THR 90 LYS 91 LEU 92 GLY 93 GLU 94 LEU 95 LYS 96 ARG 97 GLN 98 LEU 99 ALA 100 ASP 101 LEU 102 VAL 103 ALA 104 ALA 105 GLN 106 LYS 107 LEU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-06-13 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 2K48 "Nmr Structure Of The N-Terminal Coiled Coil Domain Of The Andes Hantavirus Nucleocapsid Protein" 100.00 107 100.00 100.00 1.24e-70 GB AAB69170 "nucleoprotein [Andes virus]" 69.16 428 98.65 100.00 1.51e-37 GB AAB69181 "nucleocapsid protein, partial [Andes virus]" 60.75 135 98.46 100.00 1.68e-33 GB AAB69182 "nucleocapsid protein, partial [Andes virus]" 60.75 135 98.46 100.00 1.68e-33 GB AAC55018 "nucleocapsid protein, partial [Andes virus]" 69.16 176 98.65 100.00 2.36e-39 GB AAG22531 "nucleocapsid protein [Andes virus]" 69.16 428 98.65 100.00 1.51e-37 REF NP_604471 "nucleocapsid protein [Andes virus]" 69.16 428 98.65 100.00 1.51e-37 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Strain $entity 'Andes Hantavirus' 46607 Viruses . Hantavirus 'Andes virus' 23 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 $entity 'recombinant technology' . Escherichia coli . pET151 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 $entity 1.0 mM '[U-100% 13C; U-100% 15N]' 'sodium phosphate' 10 mM 'natural abundance' 'sodium chloride' 10 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % . stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity 1.0 mM '[U-100% 13C; U-100% 15N]' 'sodium phosphate' 10 mM 'natural abundance' 'sodium chloride' 10 mM 'natural abundance' D2O 100 % . stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity 1.0 mM '[U-100% 15N]' 'sodium phosphate' 10 mM 'natural abundance' 'sodium chloride' 10 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % . stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version 2.3 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 5.0.4 loop_ _Vendor _Address _Electronic_address 'Johnson, One Moon Scientific' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version 1.0 loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task refinement 'structure solution' stop_ _Details . save_ save_AMBER _Saveframe_category software _Name AMBER _Version 7 loop_ _Vendor _Address _Electronic_address 'Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollm' . . 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 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_3 save_ save_3D_HNCA_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _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_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_3 save_ save_3D_HBHA(CO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_3 save_ save_3D_1H-13C_NOESY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_2 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.028 . M pH 6.9 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methly protons' ppm 0 external indirect . . . 0.251449530 DSS H 1 'methly protons' ppm 0 external indirect . . . 1 DSS N 15 'methly protons' ppm 0 external indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCA' '3D HNCACB' '3D HNCO' '3D CBCA(CO)NH' '3D 1H-15N NOESY' '3D HBHA(CO)NH' '3D 1H-13C NOESY' stop_ loop_ _Sample_label $sample_3 $sample_1 $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'ANDES HANTAVIRUS NUCLEOCAPSID PROTEIN' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 1 MET HA H 3.830 . 1 2 1 1 MET CA C 55.327 . 1 3 2 2 HIS HA H 3.967 . 1 4 2 2 HIS CA C 54.795 . 1 5 3 3 HIS H H 8.148 . 1 6 3 3 HIS CA C 55.452 . 1 7 3 3 HIS N N 120.076 . 1 8 7 7 HIS HA H 4.521 . 1 9 7 7 HIS C C 175.758 . 1 10 7 7 HIS CA C 56.311 . 1 11 7 7 HIS CB C 30.440 . 1 12 8 8 GLY H H 8.436 . 1 13 8 8 GLY HA2 H 3.921 . 2 14 8 8 GLY HA3 H 3.837 . 2 15 8 8 GLY C C 173.557 . 1 16 8 8 GLY CA C 45.084 . 1 17 8 8 GLY N N 109.800 . 1 18 9 9 LYS H H 8.118 . 1 19 9 9 LYS HA H 4.589 . 1 20 9 9 LYS HB2 H 1.788 . 2 21 9 9 LYS HB3 H 1.677 . 2 22 9 9 LYS HE2 H 2.937 . 1 23 9 9 LYS HE3 H 2.937 . 1 24 9 9 LYS HG2 H 1.647 . 1 25 9 9 LYS HG3 H 1.647 . 1 26 9 9 LYS CA C 54.028 . 1 27 9 9 LYS CB C 32.599 . 1 28 9 9 LYS CE C 41.995 . 1 29 9 9 LYS CG C 29.006 . 1 30 9 9 LYS N N 122.045 . 1 31 10 10 PRO HA H 4.375 . 1 32 10 10 PRO HB2 H 2.149 . 2 33 10 10 PRO HB3 H 1.775 . 2 34 10 10 PRO HD2 H 3.759 . 2 35 10 10 PRO HD3 H 3.566 . 2 36 10 10 PRO HG2 H 1.965 . 2 37 10 10 PRO HG3 H 1.910 . 2 38 10 10 PRO CA C 63.860 . 1 39 10 10 PRO CB C 31.908 . 1 40 10 10 PRO CD C 50.562 . 1 41 10 10 PRO CG C 27.348 . 1 42 11 11 ILE H H 8.258 . 1 43 11 11 ILE HA H 4.376 . 1 44 11 11 ILE HB H 1.785 . 1 45 11 11 ILE HD1 H 0.789 . 1 46 11 11 ILE HG12 H 1.459 . 9 47 11 11 ILE HG13 H 1.098 . 9 48 11 11 ILE HG2 H 0.890 . 2 49 11 11 ILE CA C 58.594 . 1 50 11 11 ILE CB C 38.679 . 1 51 11 11 ILE CD1 C 12.839 . 1 52 11 11 ILE CG1 C 26.842 . 2 53 11 11 ILE CG2 C 17.123 . 2 54 11 11 ILE N N 122.672 . 1 55 12 12 PRO HA H 4.309 . 1 56 12 12 PRO HB2 H 2.197 . 2 57 12 12 PRO HB3 H 1.795 . 2 58 12 12 PRO HD2 H 3.799 . 2 59 12 12 PRO HD3 H 3.608 . 2 60 12 12 PRO HG2 H 1.973 . 2 61 12 12 PRO HG3 H 1.901 . 2 62 12 12 PRO C C 176.100 . 1 63 12 12 PRO CA C 63.152 . 1 64 12 12 PRO CB C 32.080 . 1 65 12 12 PRO CD C 50.977 . 1 66 12 12 PRO CG C 27.348 . 1 67 13 13 ASN H H 8.426 . 1 68 13 13 ASN HA H 4.861 . 1 69 13 13 ASN HB2 H 2.841 . 2 70 13 13 ASN HB3 H 2.704 . 2 71 13 13 ASN CA C 51.072 . 1 72 13 13 ASN CB C 38.679 . 1 73 13 13 ASN N N 119.514 . 1 74 14 14 PRO HA H 4.353 . 1 75 14 14 PRO HB2 H 2.250 . 2 76 14 14 PRO HB3 H 1.896 . 2 77 14 14 PRO HD2 H 3.782 . 2 78 14 14 PRO HD3 H 3.726 . 2 79 14 14 PRO HG2 H 1.960 . 1 80 14 14 PRO HG3 H 1.960 . 1 81 14 14 PRO C C 177.013 . 1 82 14 14 PRO CA C 63.745 . 1 83 14 14 PRO CB C 32.115 . 1 84 14 14 PRO CD C 50.839 . 1 85 14 14 PRO CG C 27.072 . 1 86 15 15 LEU H H 8.079 . 1 87 15 15 LEU HA H 4.285 . 1 88 15 15 LEU C C 177.380 . 1 89 15 15 LEU CA C 55.300 . 1 90 15 15 LEU CB C 41.639 . 1 91 15 15 LEU N N 119.519 . 1 92 16 16 LEU H H 7.718 . 1 93 16 16 LEU HA H 4.317 . 1 94 16 16 LEU C C 177.571 . 1 95 16 16 LEU CA C 55.231 . 1 96 16 16 LEU CB C 42.377 . 1 97 16 16 LEU N N 120.601 . 1 98 17 17 GLY H H 8.250 . 1 99 17 17 GLY HA2 H 3.908 . 1 100 17 17 GLY HA3 H 3.908 . 1 101 17 17 GLY C C 174.232 . 1 102 17 17 GLY CA C 45.359 . 1 103 17 17 GLY N N 108.915 . 1 104 18 18 LEU H H 8.065 . 1 105 18 18 LEU HA H 4.312 . 1 106 18 18 LEU C C 177.109 . 1 107 18 18 LEU CA C 55.268 . 1 108 18 18 LEU CB C 42.383 . 1 109 18 18 LEU N N 121.298 . 1 110 19 19 ASP H H 8.425 . 1 111 19 19 ASP HA H 4.590 . 1 112 19 19 ASP HB2 H 2.685 . 2 113 19 19 ASP HB3 H 2.637 . 2 114 19 19 ASP C C 176.304 . 1 115 19 19 ASP CA C 54.201 . 1 116 19 19 ASP CB C 41.095 . 1 117 19 19 ASP N N 120.300 . 1 118 20 20 SER H H 8.188 . 1 119 20 20 SER HA H 4.432 . 1 120 20 20 SER HB2 H 3.927 . 2 121 20 20 SER HB3 H 3.825 . 2 122 20 20 SER C C 175.170 . 1 123 20 20 SER CA C 58.615 . 1 124 20 20 SER CB C 63.767 . 1 125 20 20 SER N N 115.966 . 1 126 21 21 THR H H 8.298 . 1 127 21 21 THR HA H 4.239 . 1 128 21 21 THR HB H 4.255 . 1 129 21 21 THR HG2 H 1.180 . 1 130 21 21 THR C C 174.942 . 1 131 21 21 THR CA C 62.792 . 1 132 21 21 THR CB C 69.333 . 1 133 21 21 THR CG2 C 21.682 . 1 134 21 21 THR N N 115.660 . 1 135 22 22 GLU H H 8.315 . 1 136 22 22 GLU HA H 4.196 . 1 137 22 22 GLU HB2 H 2.016 . 2 138 22 22 GLU HB3 H 1.913 . 2 139 22 22 GLU HG2 H 2.227 . 2 140 22 22 GLU HG3 H 2.188 . 2 141 22 22 GLU C C 176.245 . 1 142 22 22 GLU CA C 57.144 . 1 143 22 22 GLU CB C 30.083 . 1 144 22 22 GLU CG C 36.329 . 1 145 22 22 GLU N N 122.150 . 1 146 23 23 ASN H H 8.289 . 1 147 23 23 ASN HA H 4.614 . 1 148 23 23 ASN HB2 H 2.751 . 2 149 23 23 ASN HB3 H 2.681 . 2 150 23 23 ASN C C 175.201 . 1 151 23 23 ASN CA C 53.512 . 1 152 23 23 ASN CB C 38.775 . 1 153 23 23 ASN N N 118.790 . 1 154 24 24 LEU H H 8.063 . 1 155 24 24 LEU HA H 4.153 . 1 156 24 24 LEU HB2 H 1.466 . 2 157 24 24 LEU HB3 H 1.299 . 2 158 24 24 LEU HD1 H 0.810 . 2 159 24 24 LEU HD2 H 0.757 . 2 160 24 24 LEU HG H 1.466 . 1 161 24 24 LEU C C 177.040 . 1 162 24 24 LEU CA C 55.708 . 1 163 24 24 LEU CB C 42.176 . 1 164 24 24 LEU CD1 C 24.999 . 2 165 24 24 LEU CD2 C 23.479 . 2 166 24 24 LEU CG C 26.796 . 1 167 24 24 LEU N N 121.995 . 1 168 25 25 TYR H H 7.987 . 1 169 25 25 TYR HA H 4.430 . 1 170 25 25 TYR HB2 H 2.873 . 2 171 25 25 TYR HB3 H 2.806 . 2 172 25 25 TYR C C 175.648 . 1 173 25 25 TYR CA C 58.073 . 1 174 25 25 TYR CB C 38.519 . 1 175 25 25 TYR N N 119.392 . 1 176 26 26 PHE H H 7.929 . 1 177 26 26 PHE HA H 4.505 . 1 178 26 26 PHE HB2 H 3.122 . 2 179 26 26 PHE HB3 H 2.958 . 2 180 26 26 PHE C C 175.433 . 1 181 26 26 PHE CA C 57.729 . 1 182 26 26 PHE CB C 39.471 . 1 183 26 26 PHE N N 120.496 . 1 184 27 27 GLN H H 8.186 . 1 185 27 27 GLN HA H 4.191 . 1 186 27 27 GLN HB2 H 2.065 . 2 187 27 27 GLN HB3 H 1.939 . 2 188 27 27 GLN HG2 H 2.282 . 1 189 27 27 GLN HG3 H 2.282 . 1 190 27 27 GLN C C 176.073 . 1 191 27 27 GLN CA C 56.324 . 1 192 27 27 GLN CB C 29.249 . 1 193 27 27 GLN CG C 33.704 . 1 194 27 27 GLN N N 121.130 . 1 195 28 28 GLY H H 8.069 . 1 196 28 28 GLY HA2 H 3.887 . 1 197 28 28 GLY HA3 H 3.887 . 1 198 28 28 GLY C C 173.718 . 1 199 28 28 GLY CA C 45.344 . 1 200 28 28 GLY N N 109.518 . 1 201 29 29 ILE H H 7.724 . 1 202 29 29 ILE HA H 4.185 . 1 203 29 29 ILE HB H 1.767 . 1 204 29 29 ILE HD1 H 0.774 . 1 205 29 29 ILE HG12 H 1.427 . 9 206 29 29 ILE HG13 H 1.142 . 9 207 29 29 ILE HG2 H 0.864 . 2 208 29 29 ILE C C 175.170 . 1 209 29 29 ILE CA C 60.729 . 1 210 29 29 ILE CB C 38.801 . 1 211 29 29 ILE CD1 C 13.253 . 1 212 29 29 ILE CG1 C 27.348 . 2 213 29 29 ILE CG2 C 17.537 . 2 214 29 29 ILE N N 119.560 . 1 215 30 30 ASP H H 8.385 . 1 216 30 30 ASP HA H 4.773 . 1 217 30 30 ASP HB2 H 2.751 . 1 218 30 30 ASP HB3 H 2.751 . 1 219 30 30 ASP CA C 52.465 . 1 220 30 30 ASP CB C 41.339 . 1 221 30 30 ASP N N 126.151 . 1 222 31 31 PRO HA H 4.240 . 1 223 31 31 PRO HB2 H 2.209 . 2 224 31 31 PRO HB3 H 1.708 . 2 225 31 31 PRO HD2 H 3.849 . 2 226 31 31 PRO HD3 H 3.766 . 2 227 31 31 PRO HG2 H 1.907 . 2 228 31 31 PRO HG3 H 1.860 . 2 229 31 31 PRO C C 178.167 . 1 230 31 31 PRO CA C 64.721 . 1 231 31 31 PRO CB C 32.040 . 1 232 31 31 PRO CD C 50.839 . 1 233 31 31 PRO CG C 27.348 . 1 234 32 32 PHE H H 8.317 . 1 235 32 32 PHE HA H 4.462 . 1 236 32 32 PHE HB2 H 3.164 . 1 237 32 32 PHE HB3 H 3.164 . 1 238 32 32 PHE C C 177.688 . 1 239 32 32 PHE CA C 59.854 . 1 240 32 32 PHE CB C 38.439 . 1 241 32 32 PHE N N 119.146 . 1 242 33 33 THR H H 8.180 . 1 243 33 33 THR HA H 3.985 . 1 244 33 33 THR HB H 4.178 . 1 245 33 33 THR HG2 H 1.166 . 1 246 33 33 THR C C 175.506 . 1 247 33 33 THR CA C 64.823 . 1 248 33 33 THR CB C 68.619 . 1 249 33 33 THR CG2 C 21.806 . 1 250 33 33 THR N N 118.194 . 1 251 34 34 MET H H 8.291 . 1 252 34 34 MET HA H 4.240 . 1 253 34 34 MET HB2 H 2.097 . 2 254 34 34 MET HB3 H 1.990 . 2 255 34 34 MET HE H 1.985 . 1 256 34 34 MET HG2 H 2.498 . 1 257 34 34 MET HG3 H 2.498 . 1 258 34 34 MET C C 177.466 . 1 259 34 34 MET CA C 57.518 . 1 260 34 34 MET CB C 32.078 . 1 261 34 34 MET CE C 17.122 . 1 262 34 34 MET CG C 32.046 . 1 263 34 34 MET N N 120.991 . 1 264 35 35 SER H H 8.222 . 1 265 35 35 SER HA H 4.332 . 1 266 35 35 SER HB2 H 3.923 . 1 267 35 35 SER HB3 H 3.923 . 1 268 35 35 SER C C 176.098 . 1 269 35 35 SER CA C 60.870 . 1 270 35 35 SER CB C 63.123 . 1 271 35 35 SER N N 116.192 . 1 272 36 36 THR H H 7.990 . 1 273 36 36 THR HA H 4.039 . 1 274 36 36 THR HB H 4.245 . 1 275 36 36 THR HG2 H 1.181 . 1 276 36 36 THR C C 176.040 . 1 277 36 36 THR CA C 65.345 . 1 278 36 36 THR CB C 68.940 . 1 279 36 36 THR CG2 C 21.782 . 1 280 36 36 THR N N 118.317 . 1 281 37 37 LEU H H 8.281 . 1 282 37 37 LEU HA H 3.882 . 1 283 37 37 LEU HB2 H 1.758 . 2 284 37 37 LEU HB3 H 1.584 . 2 285 37 37 LEU HD1 H 0.789 . 2 286 37 37 LEU HD2 H 0.788 . 2 287 37 37 LEU HG H 1.625 . 1 288 37 37 LEU C C 178.365 . 1 289 37 37 LEU CA C 58.675 . 1 290 37 37 LEU CB C 41.774 . 1 291 37 37 LEU CD1 C 24.999 . 2 292 37 37 LEU CD2 C 25.552 . 2 293 37 37 LEU CG C 27.072 . 1 294 37 37 LEU N N 122.322 . 1 295 38 38 GLN H H 8.175 . 1 296 38 38 GLN HA H 4.013 . 1 297 38 38 GLN HB2 H 2.174 . 2 298 38 38 GLN HB3 H 2.058 . 2 299 38 38 GLN HG2 H 2.432 . 2 300 38 38 GLN HG3 H 2.368 . 2 301 38 38 GLN C C 178.406 . 1 302 38 38 GLN CA C 59.251 . 1 303 38 38 GLN CB C 28.039 . 1 304 38 38 GLN CG C 33.704 . 1 305 38 38 GLN N N 118.175 . 1 306 39 39 GLU H H 8.058 . 1 307 39 39 GLU HA H 4.039 . 1 308 39 39 GLU HB2 H 2.141 . 2 309 39 39 GLU HB3 H 2.087 . 2 310 39 39 GLU HG2 H 2.381 . 2 311 39 39 GLU HG3 H 2.233 . 2 312 39 39 GLU C C 179.423 . 1 313 39 39 GLU CA C 59.446 . 1 314 39 39 GLU CB C 29.570 . 1 315 39 39 GLU CG C 36.468 . 1 316 39 39 GLU N N 120.086 . 1 317 40 40 LEU H H 8.177 . 1 318 40 40 LEU HA H 4.218 . 1 319 40 40 LEU HB2 H 1.918 . 2 320 40 40 LEU HB3 H 1.568 . 2 321 40 40 LEU HD1 H 0.904 . 2 322 40 40 LEU HD2 H 0.886 . 2 323 40 40 LEU HG H 1.730 . 1 324 40 40 LEU C C 179.199 . 1 325 40 40 LEU CA C 58.306 . 1 326 40 40 LEU CB C 42.446 . 1 327 40 40 LEU CD1 C 24.723 . 2 328 40 40 LEU CD2 C 24.999 . 2 329 40 40 LEU CG C 27.486 . 1 330 40 40 LEU N N 121.205 . 1 331 41 41 GLN H H 8.457 . 1 332 41 41 GLN HA H 4.035 . 1 333 41 41 GLN HB2 H 2.254 . 2 334 41 41 GLN HB3 H 2.114 . 2 335 41 41 GLN HG2 H 2.480 . 2 336 41 41 GLN HG3 H 2.295 . 2 337 41 41 GLN C C 179.109 . 1 338 41 41 GLN CA C 59.606 . 1 339 41 41 GLN CB C 28.463 . 1 340 41 41 GLN CG C 34.533 . 1 341 41 41 GLN N N 118.146 . 1 342 42 42 GLU H H 8.388 . 1 343 42 42 GLU HA H 4.096 . 1 344 42 42 GLU HB2 H 2.206 . 2 345 42 42 GLU HB3 H 2.086 . 2 346 42 42 GLU HG2 H 2.509 . 2 347 42 42 GLU HG3 H 2.325 . 2 348 42 42 GLU C C 179.393 . 1 349 42 42 GLU CA C 59.587 . 1 350 42 42 GLU CB C 29.117 . 1 351 42 42 GLU CG C 36.467 . 1 352 42 42 GLU N N 119.842 . 1 353 43 43 ASN H H 8.370 . 1 354 43 43 ASN HA H 4.828 . 1 355 43 43 ASN HB2 H 3.143 . 2 356 43 43 ASN HB3 H 2.893 . 2 357 43 43 ASN C C 179.533 . 1 358 43 43 ASN CA C 55.413 . 1 359 43 43 ASN CB C 38.699 . 1 360 43 43 ASN N N 120.435 . 1 361 44 44 ILE H H 8.937 . 1 362 44 44 ILE HA H 3.537 . 1 363 44 44 ILE HB H 2.070 . 1 364 44 44 ILE HD1 H 0.795 . 1 365 44 44 ILE HG12 H 1.874 . 9 366 44 44 ILE HG13 H 0.758 . 9 367 44 44 ILE HG2 H 0.895 . 2 368 44 44 ILE C C 177.307 . 1 369 44 44 ILE CA C 67.117 . 1 370 44 44 ILE CB C 37.960 . 1 371 44 44 ILE CD1 C 15.050 . 1 372 44 44 ILE CG1 C 33.013 . 2 373 44 44 ILE CG2 C 17.123 . 2 374 44 44 ILE N N 125.055 . 1 375 45 45 THR H H 8.433 . 1 376 45 45 THR HA H 3.989 . 1 377 45 45 THR HB H 4.259 . 1 378 45 45 THR HG2 H 1.280 . 1 379 45 45 THR C C 176.551 . 1 380 45 45 THR CA C 67.044 . 1 381 45 45 THR CB C 68.745 . 1 382 45 45 THR CG2 C 21.544 . 1 383 45 45 THR N N 118.028 . 1 384 46 46 ALA H H 8.295 . 1 385 46 46 ALA HA H 4.225 . 1 386 46 46 ALA HB H 1.589 . 1 387 46 46 ALA CA C 55.406 . 1 388 46 46 ALA CB C 18.025 . 1 389 46 46 ALA N N 123.002 . 1 390 47 47 HIS H H 8.422 . 1 391 47 47 HIS HA H 4.012 . 1 392 47 47 HIS HB2 H 3.284 . 2 393 47 47 HIS HB3 H 2.939 . 2 394 47 47 HIS C C 177.771 . 1 395 47 47 HIS CA C 62.356 . 1 396 47 47 HIS CB C 29.088 . 1 397 47 47 HIS N N 117.806 . 1 398 48 48 GLU H H 9.103 . 1 399 48 48 GLU HA H 4.109 . 1 400 48 48 GLU HB2 H 2.414 . 2 401 48 48 GLU HB3 H 2.033 . 2 402 48 48 GLU HG2 H 2.543 . 2 403 48 48 GLU HG3 H 2.289 . 2 404 48 48 GLU C C 180.224 . 1 405 48 48 GLU CA C 60.247 . 1 406 48 48 GLU CB C 29.144 . 1 407 48 48 GLU CG C 37.021 . 1 408 48 48 GLU N N 121.301 . 1 409 49 49 GLN H H 8.096 . 1 410 49 49 GLN HA H 4.120 . 1 411 49 49 GLN HB2 H 2.283 . 2 412 49 49 GLN HB3 H 2.169 . 2 413 49 49 GLN HG2 H 2.594 . 2 414 49 49 GLN HG3 H 2.460 . 2 415 49 49 GLN C C 179.392 . 1 416 49 49 GLN CA C 59.006 . 1 417 49 49 GLN CB C 27.975 . 1 418 49 49 GLN CG C 33.842 . 1 419 49 49 GLN N N 118.993 . 1 420 50 50 GLN H H 8.049 . 1 421 50 50 GLN HA H 4.080 . 1 422 50 50 GLN HB2 H 2.122 . 1 423 50 50 GLN HB3 H 2.122 . 1 424 50 50 GLN HG2 H 2.535 . 2 425 50 50 GLN HG3 H 2.322 . 2 426 50 50 GLN C C 179.386 . 1 427 50 50 GLN CA C 58.913 . 1 428 50 50 GLN CB C 29.028 . 1 429 50 50 GLN CG C 34.257 . 1 430 50 50 GLN N N 119.118 . 1 431 51 51 LEU H H 8.586 . 1 432 51 51 LEU HA H 4.169 . 1 433 51 51 LEU HB2 H 2.067 . 2 434 51 51 LEU HB3 H 1.651 . 2 435 51 51 LEU HD1 H 1.048 . 2 436 51 51 LEU HD2 H 0.996 . 2 437 51 51 LEU HG H 1.624 . 1 438 51 51 LEU C C 177.783 . 1 439 51 51 LEU CA C 58.149 . 1 440 51 51 LEU CB C 41.692 . 1 441 51 51 LEU CD1 C 24.723 . 2 442 51 51 LEU CD2 C 26.795 . 2 443 51 51 LEU CG C 27.901 . 1 444 51 51 LEU N N 122.924 . 1 445 52 52 VAL H H 7.829 . 1 446 52 52 VAL HA H 3.623 . 1 447 52 52 VAL HB H 2.311 . 1 448 52 52 VAL HG1 H 1.151 . 2 449 52 52 VAL HG2 H 0.967 . 2 450 52 52 VAL C C 179.885 . 1 451 52 52 VAL CA C 67.486 . 1 452 52 52 VAL CB C 31.552 . 1 453 52 52 VAL CG1 C 22.632 . 2 454 52 52 VAL CG2 C 20.992 . 2 455 52 52 VAL N N 121.147 . 1 456 53 53 THR H H 7.537 . 1 457 53 53 THR HA H 4.015 . 1 458 53 53 THR HB H 4.145 . 1 459 53 53 THR HG2 H 1.260 . 1 460 53 53 THR C C 176.135 . 1 461 53 53 THR CA C 66.207 . 1 462 53 53 THR CB C 68.679 . 1 463 53 53 THR CG2 C 22.064 . 1 464 53 53 THR N N 116.549 . 1 465 54 54 ALA H H 8.693 . 1 466 54 54 ALA HA H 4.041 . 1 467 54 54 ALA HB H 1.498 . 1 468 54 54 ALA C C 181.629 . 1 469 54 54 ALA CA C 55.407 . 1 470 54 54 ALA CB C 18.311 . 1 471 54 54 ALA N N 124.124 . 1 472 55 55 ARG H H 9.099 . 1 473 55 55 ARG HA H 3.930 . 1 474 55 55 ARG HB2 H 2.014 . 2 475 55 55 ARG HB3 H 1.807 . 2 476 55 55 ARG HD2 H 3.170 . 2 477 55 55 ARG HD3 H 3.105 . 2 478 55 55 ARG HG2 H 1.661 . 1 479 55 55 ARG HG3 H 1.661 . 1 480 55 55 ARG C C 178.985 . 1 481 55 55 ARG CA C 60.732 . 1 482 55 55 ARG CB C 29.680 . 1 483 55 55 ARG CD C 43.377 . 1 484 55 55 ARG CG C 28.453 . 1 485 55 55 ARG N N 120.174 . 1 486 56 56 GLN H H 7.718 . 1 487 56 56 GLN HA H 4.072 . 1 488 56 56 GLN HB2 H 2.327 . 2 489 56 56 GLN HB3 H 2.300 . 2 490 56 56 GLN HG2 H 2.430 . 1 491 56 56 GLN HG3 H 2.430 . 1 492 56 56 GLN C C 178.118 . 1 493 56 56 GLN CA C 58.951 . 1 494 56 56 GLN CB C 27.707 . 1 495 56 56 GLN CG C 33.566 . 1 496 56 56 GLN N N 122.190 . 1 497 57 57 LYS H H 8.315 . 1 498 57 57 LYS HA H 4.210 . 1 499 57 57 LYS HB2 H 1.892 . 2 500 57 57 LYS HB3 H 1.623 . 2 501 57 57 LYS HD2 H 1.611 . 1 502 57 57 LYS HD3 H 1.611 . 1 503 57 57 LYS HE2 H 2.864 . 1 504 57 57 LYS HE3 H 2.864 . 1 505 57 57 LYS HG2 H 1.678 . 2 506 57 57 LYS HG3 H 1.556 . 2 507 57 57 LYS C C 180.517 . 1 508 57 57 LYS CA C 58.871 . 1 509 57 57 LYS CB C 31.906 . 1 510 57 57 LYS CD C 28.730 . 1 511 57 57 LYS CE C 41.718 . 1 512 57 57 LYS CG C 25.413 . 1 513 57 57 LYS N N 117.762 . 1 514 58 58 LEU H H 8.069 . 1 515 58 58 LEU HA H 4.077 . 1 516 58 58 LEU HB2 H 2.205 . 2 517 58 58 LEU HB3 H 1.320 . 2 518 58 58 LEU HD1 H 1.003 . 2 519 58 58 LEU HD2 H 0.933 . 2 520 58 58 LEU HG H 1.657 . 1 521 58 58 LEU C C 176.859 . 1 522 58 58 LEU CA C 58.634 . 1 523 58 58 LEU CB C 41.448 . 1 524 58 58 LEU CD1 C 26.519 . 2 525 58 58 LEU CD2 C 25.137 . 2 526 58 58 LEU CG C 28.453 . 1 527 58 58 LEU N N 122.374 . 1 528 59 59 LYS H H 7.815 . 1 529 59 59 LYS HA H 4.190 . 1 530 59 59 LYS HB2 H 1.988 . 1 531 59 59 LYS HB3 H 1.988 . 1 532 59 59 LYS HD2 H 1.712 . 1 533 59 59 LYS HD3 H 1.712 . 1 534 59 59 LYS HE2 H 2.973 . 1 535 59 59 LYS HE3 H 2.973 . 1 536 59 59 LYS HG2 H 1.600 . 2 537 59 59 LYS HG3 H 1.540 . 2 538 59 59 LYS C C 179.947 . 1 539 59 59 LYS CA C 59.326 . 1 540 59 59 LYS CB C 31.322 . 1 541 59 59 LYS CD C 28.655 . 1 542 59 59 LYS CE C 41.690 . 1 543 59 59 LYS CG C 24.722 . 1 544 59 59 LYS N N 120.936 . 1 545 60 60 ASP H H 8.141 . 1 546 60 60 ASP HA H 4.387 . 1 547 60 60 ASP HB2 H 2.768 . 2 548 60 60 ASP HB3 H 2.693 . 2 549 60 60 ASP C C 178.952 . 1 550 60 60 ASP CA C 57.444 . 1 551 60 60 ASP CB C 40.110 . 1 552 60 60 ASP N N 119.056 . 1 553 61 61 ALA H H 7.934 . 1 554 61 61 ALA HA H 4.240 . 1 555 61 61 ALA HB H 1.572 . 1 556 61 61 ALA C C 180.470 . 1 557 61 61 ALA CA C 54.512 . 1 558 61 61 ALA CB C 18.683 . 1 559 61 61 ALA N N 123.700 . 1 560 62 62 GLU H H 8.789 . 1 561 62 62 GLU HA H 3.888 . 1 562 62 62 GLU HB2 H 2.376 . 1 563 62 62 GLU HB3 H 2.376 . 1 564 62 62 GLU HG2 H 2.488 . 2 565 62 62 GLU HG3 H 2.129 . 2 566 62 62 GLU C C 179.593 . 1 567 62 62 GLU CA C 59.655 . 1 568 62 62 GLU CB C 29.904 . 1 569 62 62 GLU CG C 37.573 . 1 570 62 62 GLU N N 121.363 . 1 571 63 63 LYS H H 7.906 . 1 572 63 63 LYS HA H 4.097 . 1 573 63 63 LYS HB2 H 1.966 . 1 574 63 63 LYS HB3 H 1.966 . 1 575 63 63 LYS HD2 H 1.723 . 2 576 63 63 LYS HD3 H 1.685 . 2 577 63 63 LYS HE2 H 2.915 . 1 578 63 63 LYS HE3 H 2.915 . 1 579 63 63 LYS HG2 H 1.541 . 1 580 63 63 LYS HG3 H 1.541 . 1 581 63 63 LYS C C 178.402 . 1 582 63 63 LYS CA C 58.237 . 1 583 63 63 LYS CB C 31.381 . 1 584 63 63 LYS CD C 28.315 . 1 585 63 63 LYS CE C 41.718 . 1 586 63 63 LYS CG C 24.446 . 1 587 63 63 LYS N N 120.283 . 1 588 64 64 ALA H H 7.713 . 1 589 64 64 ALA HA H 4.126 . 1 590 64 64 ALA HB H 1.468 . 1 591 64 64 ALA C C 180.090 . 1 592 64 64 ALA CA C 55.197 . 1 593 64 64 ALA CB C 17.866 . 1 594 64 64 ALA N N 120.178 . 1 595 65 65 VAL H H 7.333 . 1 596 65 65 VAL HA H 3.699 . 1 597 65 65 VAL HB H 2.042 . 1 598 65 65 VAL HG1 H 0.992 . 2 599 65 65 VAL HG2 H 0.928 . 2 600 65 65 VAL C C 176.218 . 1 601 65 65 VAL CA C 65.047 . 1 602 65 65 VAL CB C 31.936 . 1 603 65 65 VAL CG1 C 25.413 . 2 604 65 65 VAL CG2 C 21.683 . 2 605 65 65 VAL N N 115.779 . 1 606 66 66 GLU H H 7.506 . 1 607 66 66 GLU HA H 3.929 . 1 608 66 66 GLU HB2 H 2.186 . 1 609 66 66 GLU HB3 H 2.186 . 1 610 66 66 GLU HG2 H 2.400 . 2 611 66 66 GLU HG3 H 2.170 . 2 612 66 66 GLU C C 178.293 . 1 613 66 66 GLU CA C 59.015 . 1 614 66 66 GLU CB C 29.710 . 1 615 66 66 GLU CG C 36.329 . 1 616 66 66 GLU N N 119.510 . 1 617 67 67 VAL H H 7.359 . 1 618 67 67 VAL HA H 3.916 . 1 619 67 67 VAL HB H 2.079 . 1 620 67 67 VAL HG1 H 1.020 . 2 621 67 67 VAL HG2 H 0.943 . 2 622 67 67 VAL C C 176.356 . 1 623 67 67 VAL CA C 64.127 . 1 624 67 67 VAL CB C 32.565 . 1 625 67 67 VAL CG1 C 21.406 . 2 626 67 67 VAL CG2 C 21.268 . 2 627 67 67 VAL N N 114.829 . 1 628 68 68 ASP H H 7.995 . 1 629 68 68 ASP HA H 5.030 . 1 630 68 68 ASP HB2 H 2.670 . 2 631 68 68 ASP HB3 H 2.459 . 2 632 68 68 ASP CA C 51.789 . 1 633 68 68 ASP CB C 41.764 . 1 634 68 68 ASP N N 117.594 . 1 635 69 69 PRO HA H 4.762 . 1 636 69 69 PRO HB2 H 2.278 . 2 637 69 69 PRO HB3 H 2.201 . 2 638 69 69 PRO HD2 H 3.807 . 2 639 69 69 PRO HD3 H 3.432 . 2 640 69 69 PRO HG2 H 2.070 . 2 641 69 69 PRO HG3 H 1.939 . 2 642 69 69 PRO C C 175.474 . 1 643 69 69 PRO CA C 62.895 . 1 644 69 69 PRO CB C 28.669 . 1 645 69 69 PRO CD C 49.871 . 1 646 69 69 PRO CG C 26.933 . 1 647 70 70 ASP H H 8.391 . 1 648 70 70 ASP HA H 4.586 . 1 649 70 70 ASP HB2 H 3.023 . 2 650 70 70 ASP HB3 H 2.664 . 2 651 70 70 ASP C C 176.090 . 1 652 70 70 ASP CA C 52.843 . 1 653 70 70 ASP CB C 41.573 . 1 654 70 70 ASP N N 123.551 . 1 655 71 71 ASP H H 8.426 . 1 656 71 71 ASP HA H 4.301 . 1 657 71 71 ASP HB2 H 2.647 . 1 658 71 71 ASP HB3 H 2.647 . 1 659 71 71 ASP C C 179.100 . 1 660 71 71 ASP CA C 58.018 . 1 661 71 71 ASP CB C 40.486 . 1 662 71 71 ASP N N 118.977 . 1 663 72 72 VAL H H 7.939 . 1 664 72 72 VAL HA H 3.753 . 1 665 72 72 VAL HB H 2.093 . 1 666 72 72 VAL HG1 H 0.980 . 2 667 72 72 VAL HG2 H 0.898 . 2 668 72 72 VAL C C 178.712 . 1 669 72 72 VAL CA C 66.074 . 1 670 72 72 VAL CB C 31.376 . 1 671 72 72 VAL CG1 C 22.373 . 2 672 72 72 VAL CG2 C 20.848 . 2 673 72 72 VAL N N 121.450 . 1 674 73 73 ASN H H 9.170 . 1 675 73 73 ASN HA H 4.518 . 1 676 73 73 ASN HB2 H 3.118 . 2 677 73 73 ASN HB3 H 2.632 . 2 678 73 73 ASN C C 180.028 . 1 679 73 73 ASN CA C 55.646 . 1 680 73 73 ASN CB C 36.244 . 1 681 73 73 ASN N N 121.468 . 1 682 74 74 LYS H H 8.711 . 1 683 74 74 LYS HA H 3.935 . 1 684 74 74 LYS HB2 H 1.960 . 2 685 74 74 LYS HB3 H 1.878 . 2 686 74 74 LYS HD2 H 1.648 . 1 687 74 74 LYS HD3 H 1.648 . 1 688 74 74 LYS HE2 H 2.881 . 1 689 74 74 LYS HE3 H 2.881 . 1 690 74 74 LYS HG2 H 1.641 . 2 691 74 74 LYS HG3 H 1.335 . 2 692 74 74 LYS C C 178.992 . 1 693 74 74 LYS CA C 61.208 . 1 694 74 74 LYS CB C 32.120 . 1 695 74 74 LYS CD C 29.566 . 1 696 74 74 LYS CE C 41.580 . 1 697 74 74 LYS CG C 26.674 . 1 698 74 74 LYS N N 123.106 . 1 699 75 75 SER H H 8.213 . 1 700 75 75 SER HA H 4.293 . 1 701 75 75 SER HB2 H 4.061 . 2 702 75 75 SER HB3 H 4.015 . 2 703 75 75 SER C C 177.222 . 1 704 75 75 SER CA C 61.778 . 1 705 75 75 SER CB C 62.400 . 1 706 75 75 SER N N 117.830 . 1 707 76 76 THR H H 8.589 . 1 708 76 76 THR HA H 3.982 . 1 709 76 76 THR HB H 4.278 . 1 710 76 76 THR HG2 H 1.205 . 1 711 76 76 THR C C 176.001 . 1 712 76 76 THR CA C 66.644 . 1 713 76 76 THR CB C 68.428 . 1 714 76 76 THR CG2 C 21.821 . 1 715 76 76 THR N N 120.633 . 1 716 77 77 LEU H H 7.905 . 1 717 77 77 LEU HA H 3.901 . 1 718 77 77 LEU HB2 H 2.179 . 2 719 77 77 LEU HB3 H 1.370 . 2 720 77 77 LEU HD1 H 0.987 . 2 721 77 77 LEU HD2 H 0.915 . 2 722 77 77 LEU HG H 1.460 . 1 723 77 77 LEU C C 177.503 . 1 724 77 77 LEU CA C 58.955 . 1 725 77 77 LEU CB C 41.379 . 1 726 77 77 LEU CD1 C 26.381 . 2 727 77 77 LEU CD2 C 25.137 . 2 728 77 77 LEU CG C 27.348 . 1 729 77 77 LEU N N 121.693 . 1 730 78 78 GLN H H 7.865 . 1 731 78 78 GLN HA H 4.011 . 1 732 78 78 GLN HB2 H 2.243 . 1 733 78 78 GLN HB3 H 2.243 . 1 734 78 78 GLN HG2 H 2.486 . 1 735 78 78 GLN HG3 H 2.486 . 1 736 78 78 GLN CA C 59.251 . 1 737 78 78 GLN CB C 27.740 . 1 738 78 78 GLN CG C 33.290 . 1 739 78 78 GLN N N 117.994 . 1 740 79 79 ASN H H 8.149 . 1 741 79 79 ASN HA H 4.518 . 1 742 79 79 ASN HB2 H 3.015 . 2 743 79 79 ASN HB3 H 2.895 . 2 744 79 79 ASN CA C 56.534 . 1 745 79 79 ASN CB C 38.402 . 1 746 79 79 ASN N N 119.067 . 1 747 80 80 ARG H H 8.837 . 1 748 80 80 ARG HA H 4.118 . 1 749 80 80 ARG HB2 H 2.136 . 2 750 80 80 ARG HB3 H 1.805 . 2 751 80 80 ARG HD2 H 3.147 . 2 752 80 80 ARG HD3 H 2.940 . 2 753 80 80 ARG HG2 H 1.974 . 2 754 80 80 ARG HG3 H 1.678 . 2 755 80 80 ARG C C 180.130 . 1 756 80 80 ARG CA C 58.037 . 1 757 80 80 ARG CB C 29.833 . 1 758 80 80 ARG CD C 42.686 . 1 759 80 80 ARG CG C 27.072 . 1 760 80 80 ARG N N 120.010 . 1 761 81 81 ARG H H 8.822 . 1 762 81 81 ARG HA H 3.990 . 1 763 81 81 ARG HB2 H 1.937 . 1 764 81 81 ARG HB3 H 1.937 . 1 765 81 81 ARG HD2 H 3.158 . 2 766 81 81 ARG HD3 H 3.096 . 2 767 81 81 ARG HG2 H 1.841 . 2 768 81 81 ARG HG3 H 1.671 . 2 769 81 81 ARG C C 178.839 . 1 770 81 81 ARG CA C 60.113 . 1 771 81 81 ARG CB C 30.141 . 1 772 81 81 ARG CD C 43.515 . 1 773 81 81 ARG CG C 28.453 . 1 774 81 81 ARG N N 122.462 . 1 775 82 82 ALA H H 8.019 . 1 776 82 82 ALA HA H 4.230 . 1 777 82 82 ALA HB H 1.550 . 1 778 82 82 ALA C C 179.962 . 1 779 82 82 ALA CA C 54.851 . 1 780 82 82 ALA CB C 17.700 . 1 781 82 82 ALA N N 122.960 . 1 782 83 83 ALA H H 7.870 . 1 783 83 83 ALA HA H 4.169 . 1 784 83 83 ALA HB H 1.568 . 1 785 83 83 ALA C C 180.726 . 1 786 83 83 ALA CA C 55.161 . 1 787 83 83 ALA CB C 18.292 . 1 788 83 83 ALA N N 120.606 . 1 789 84 84 VAL H H 7.251 . 1 790 84 84 VAL HA H 3.489 . 1 791 84 84 VAL HB H 2.201 . 1 792 84 84 VAL HG1 H 1.002 . 2 793 84 84 VAL HG2 H 0.908 . 2 794 84 84 VAL C C 176.910 . 1 795 84 84 VAL CA C 67.167 . 1 796 84 84 VAL CB C 31.819 . 1 797 84 84 VAL CG1 C 24.861 . 2 798 84 84 VAL CG2 C 21.406 . 2 799 84 84 VAL N N 116.944 . 1 800 85 85 SER H H 8.075 . 1 801 85 85 SER HA H 4.352 . 1 802 85 85 SER HB2 H 4.006 . 1 803 85 85 SER HB3 H 4.006 . 1 804 85 85 SER C C 177.803 . 1 805 85 85 SER CA C 61.882 . 1 806 85 85 SER CB C 62.711 . 1 807 85 85 SER N N 114.526 . 1 808 86 86 THR H H 8.645 . 1 809 86 86 THR HA H 3.992 . 1 810 86 86 THR HB H 4.249 . 1 811 86 86 THR HG2 H 1.276 . 1 812 86 86 THR C C 176.756 . 1 813 86 86 THR CA C 66.987 . 1 814 86 86 THR CB C 68.809 . 1 815 86 86 THR CG2 C 21.554 . 1 816 86 86 THR N N 118.791 . 1 817 87 87 LEU H H 7.659 . 1 818 87 87 LEU HA H 4.175 . 1 819 87 87 LEU HB2 H 2.172 . 2 820 87 87 LEU HB3 H 1.343 . 2 821 87 87 LEU HD1 H 0.970 . 2 822 87 87 LEU HD2 H 0.796 . 2 823 87 87 LEU HG H 1.850 . 1 824 87 87 LEU C C 178.852 . 1 825 87 87 LEU CA C 58.600 . 1 826 87 87 LEU CB C 43.721 . 1 827 87 87 LEU CD1 C 23.755 . 2 828 87 87 LEU CD2 C 25.966 . 2 829 87 87 LEU CG C 27.763 . 1 830 87 87 LEU N N 122.792 . 1 831 88 88 GLU H H 8.889 . 1 832 88 88 GLU HA H 3.934 . 1 833 88 88 GLU HB2 H 2.323 . 2 834 88 88 GLU HB3 H 1.970 . 2 835 88 88 GLU HG2 H 2.601 . 2 836 88 88 GLU HG3 H 2.182 . 2 837 88 88 GLU C C 180.721 . 1 838 88 88 GLU CA C 60.441 . 1 839 88 88 GLU CB C 29.787 . 1 840 88 88 GLU CG C 37.988 . 1 841 88 88 GLU N N 118.898 . 1 842 89 89 THR H H 8.398 . 1 843 89 89 THR HA H 3.987 . 1 844 89 89 THR HB H 4.346 . 1 845 89 89 THR HG2 H 1.260 . 1 846 89 89 THR C C 176.892 . 1 847 89 89 THR CA C 66.694 . 1 848 89 89 THR CB C 68.675 . 1 849 89 89 THR CG2 C 21.406 . 1 850 89 89 THR N N 118.239 . 1 851 90 90 LYS H H 8.133 . 1 852 90 90 LYS HA H 4.093 . 1 853 90 90 LYS HB2 H 1.987 . 2 854 90 90 LYS HB3 H 1.918 . 2 855 90 90 LYS HD2 H 1.678 . 1 856 90 90 LYS HD3 H 1.678 . 1 857 90 90 LYS HE2 H 2.828 . 2 858 90 90 LYS HE3 H 2.792 . 2 859 90 90 LYS HG2 H 1.456 . 2 860 90 90 LYS HG3 H 1.242 . 2 861 90 90 LYS C C 178.551 . 1 862 90 90 LYS CA C 58.761 . 1 863 90 90 LYS CB C 32.056 . 1 864 90 90 LYS CD C 28.319 . 1 865 90 90 LYS CE C 41.759 . 1 866 90 90 LYS CG C 24.999 . 1 867 90 90 LYS N N 123.543 . 1 868 91 91 LEU H H 8.761 . 1 869 91 91 LEU HA H 3.864 . 1 870 91 91 LEU HB2 H 1.818 . 2 871 91 91 LEU HB3 H 1.677 . 2 872 91 91 LEU HD1 H 1.023 . 2 873 91 91 LEU HD2 H 1.001 . 2 874 91 91 LEU HG H 1.528 . 1 875 91 91 LEU C C 178.476 . 1 876 91 91 LEU CA C 58.381 . 1 877 91 91 LEU CB C 42.298 . 1 878 91 91 LEU CD1 C 25.552 . 2 879 91 91 LEU CD2 C 26.795 . 2 880 91 91 LEU CG C 27.901 . 1 881 91 91 LEU N N 119.635 . 1 882 92 92 GLY H H 8.001 . 1 883 92 92 GLY HA2 H 3.977 . 2 884 92 92 GLY HA3 H 3.775 . 2 885 92 92 GLY C C 176.766 . 1 886 92 92 GLY CA C 47.225 . 1 887 92 92 GLY N N 104.997 . 1 888 93 93 GLU H H 7.702 . 1 889 93 93 GLU HA H 4.106 . 1 890 93 93 GLU HB2 H 2.231 . 2 891 93 93 GLU HB3 H 2.069 . 2 892 93 93 GLU HG2 H 2.379 . 2 893 93 93 GLU HG3 H 2.220 . 2 894 93 93 GLU C C 179.341 . 1 895 93 93 GLU CA C 59.217 . 1 896 93 93 GLU CB C 29.462 . 1 897 93 93 GLU CG C 36.053 . 1 898 93 93 GLU N N 122.639 . 1 899 94 94 LEU H H 8.290 . 1 900 94 94 LEU HA H 4.031 . 1 901 94 94 LEU HB2 H 1.904 . 1 902 94 94 LEU HB3 H 1.904 . 1 903 94 94 LEU HD1 H 0.775 . 2 904 94 94 LEU HD2 H 0.258 . 2 905 94 94 LEU HG H 1.701 . 1 906 94 94 LEU C C 179.432 . 1 907 94 94 LEU CA C 57.904 . 1 908 94 94 LEU CB C 42.975 . 1 909 94 94 LEU CD1 C 22.512 . 2 910 94 94 LEU CD2 C 25.137 . 2 911 94 94 LEU CG C 26.519 . 1 912 94 94 LEU N N 120.733 . 1 913 95 95 LYS H H 8.486 . 1 914 95 95 LYS HA H 3.905 . 1 915 95 95 LYS HB2 H 1.892 . 1 916 95 95 LYS HB3 H 1.892 . 1 917 95 95 LYS HD2 H 1.650 . 1 918 95 95 LYS HD3 H 1.650 . 1 919 95 95 LYS HE2 H 2.880 . 2 920 95 95 LYS HE3 H 2.794 . 2 921 95 95 LYS HG2 H 1.703 . 2 922 95 95 LYS HG3 H 1.436 . 2 923 95 95 LYS C C 179.913 . 1 924 95 95 LYS CA C 60.582 . 1 925 95 95 LYS CB C 32.102 . 1 926 95 95 LYS CD C 29.422 . 1 927 95 95 LYS CE C 41.884 . 1 928 95 95 LYS CG C 27.210 . 1 929 95 95 LYS N N 117.301 . 1 930 96 96 ARG H H 7.870 . 1 931 96 96 ARG HA H 4.104 . 1 932 96 96 ARG HB2 H 2.010 . 2 933 96 96 ARG HB3 H 1.940 . 2 934 96 96 ARG HD2 H 3.225 . 2 935 96 96 ARG HD3 H 3.186 . 2 936 96 96 ARG HG2 H 1.742 . 2 937 96 96 ARG HG3 H 1.624 . 2 938 96 96 ARG C C 177.885 . 1 939 96 96 ARG CA C 59.312 . 1 940 96 96 ARG CB C 29.559 . 1 941 96 96 ARG CD C 42.962 . 1 942 96 96 ARG CG C 27.072 . 1 943 96 96 ARG N N 122.263 . 1 944 97 97 GLN H H 8.063 . 1 945 97 97 GLN HA H 4.041 . 1 946 97 97 GLN HB2 H 2.291 . 2 947 97 97 GLN HB3 H 2.104 . 2 948 97 97 GLN HG2 H 2.589 . 2 949 97 97 GLN HG3 H 2.285 . 2 950 97 97 GLN CA C 59.202 . 1 951 97 97 GLN CB C 28.315 . 1 952 97 97 GLN CG C 34.119 . 1 953 97 97 GLN N N 119.878 . 1 954 98 98 LEU H H 8.286 . 1 955 98 98 LEU HA H 3.990 . 1 956 98 98 LEU HB2 H 1.920 . 2 957 98 98 LEU HB3 H 1.418 . 2 958 98 98 LEU HD1 H 0.922 . 2 959 98 98 LEU HD2 H 0.882 . 2 960 98 98 LEU HG H 1.605 . 1 961 98 98 LEU C C 177.235 . 1 962 98 98 LEU CA C 58.451 . 1 963 98 98 LEU CB C 41.715 . 1 964 98 98 LEU CD1 C 24.584 . 2 965 98 98 LEU CD2 C 26.381 . 2 966 98 98 LEU CG C 27.072 . 1 967 98 98 LEU N N 120.569 . 1 968 99 99 ALA H H 7.977 . 1 969 99 99 ALA HA H 4.016 . 1 970 99 99 ALA HB H 1.498 . 1 971 99 99 ALA C C 181.122 . 1 972 99 99 ALA CA C 55.185 . 1 973 99 99 ALA CB C 17.729 . 1 974 99 99 ALA N N 120.745 . 1 975 100 100 ASP H H 8.348 . 1 976 100 100 ASP HA H 4.407 . 1 977 100 100 ASP HB2 H 2.777 . 2 978 100 100 ASP HB3 H 2.604 . 2 979 100 100 ASP C C 178.740 . 1 980 100 100 ASP CA C 57.070 . 1 981 100 100 ASP CB C 40.114 . 1 982 100 100 ASP N N 118.976 . 1 983 101 101 LEU H H 7.896 . 1 984 101 101 LEU HA H 4.192 . 1 985 101 101 LEU HB2 H 1.814 . 2 986 101 101 LEU HB3 H 1.704 . 2 987 101 101 LEU HD1 H 0.880 . 2 988 101 101 LEU HD2 H 0.842 . 2 989 101 101 LEU HG H 1.646 . 1 990 101 101 LEU C C 179.572 . 1 991 101 101 LEU CA C 58.028 . 1 992 101 101 LEU CB C 42.324 . 1 993 101 101 LEU CD1 C 24.913 . 2 994 101 101 LEU CD2 C 24.723 . 2 995 101 101 LEU CG C 27.072 . 1 996 101 101 LEU N N 122.976 . 1 997 102 102 VAL H H 8.442 . 1 998 102 102 VAL HA H 3.595 . 1 999 102 102 VAL HB H 2.117 . 1 1000 102 102 VAL HG1 H 1.007 . 2 1001 102 102 VAL HG2 H 0.904 . 2 1002 102 102 VAL C C 178.787 . 1 1003 102 102 VAL CA C 66.121 . 1 1004 102 102 VAL CB C 31.914 . 1 1005 102 102 VAL CG1 C 22.788 . 2 1006 102 102 VAL CG2 C 21.266 . 2 1007 102 102 VAL N N 118.833 . 1 1008 103 103 ALA H H 7.934 . 1 1009 103 103 ALA HA H 4.153 . 1 1010 103 103 ALA HB H 1.503 . 1 1011 103 103 ALA C C 179.316 . 1 1012 103 103 ALA CA C 54.320 . 1 1013 103 103 ALA CB C 18.311 . 1 1014 103 103 ALA N N 121.567 . 1 1015 104 104 ALA H H 7.670 . 1 1016 104 104 ALA HA H 4.228 . 1 1017 104 104 ALA HB H 1.512 . 1 1018 104 104 ALA C C 178.479 . 1 1019 104 104 ALA CA C 53.362 . 1 1020 104 104 ALA CB C 18.609 . 1 1021 104 104 ALA N N 119.434 . 1 1022 105 105 GLN H H 7.713 . 1 1023 105 105 GLN HA H 4.233 . 1 1024 105 105 GLN HB2 H 2.216 . 2 1025 105 105 GLN HB3 H 2.007 . 2 1026 105 105 GLN HG2 H 2.542 . 2 1027 105 105 GLN HG3 H 2.295 . 2 1028 105 105 GLN C C 175.576 . 1 1029 105 105 GLN CA C 55.561 . 1 1030 105 105 GLN CB C 28.650 . 1 1031 105 105 GLN CG C 33.428 . 1 1032 105 105 GLN N N 116.009 . 1 1033 106 106 LYS H H 7.843 . 1 1034 106 106 LYS HA H 4.268 . 1 1035 106 106 LYS HB2 H 1.883 . 2 1036 106 106 LYS HB3 H 1.790 . 2 1037 106 106 LYS HD2 H 1.650 . 1 1038 106 106 LYS HD3 H 1.650 . 1 1039 106 106 LYS HE2 H 2.954 . 1 1040 106 106 LYS HE3 H 2.954 . 1 1041 106 106 LYS HG2 H 1.454 . 2 1042 106 106 LYS HG3 H 1.401 . 2 1043 106 106 LYS C C 175.336 . 1 1044 106 106 LYS CA C 56.277 . 1 1045 106 106 LYS CB C 32.183 . 1 1046 106 106 LYS CD C 28.867 . 1 1047 106 106 LYS CE C 41.995 . 1 1048 106 106 LYS CG C 24.584 . 1 1049 106 106 LYS N N 120.424 . 1 1050 107 107 LEU H H 7.755 . 1 1051 107 107 LEU HA H 4.164 . 1 1052 107 107 LEU HB2 H 1.558 . 1 1053 107 107 LEU HB3 H 1.558 . 1 1054 107 107 LEU HD1 H 0.860 . 2 1055 107 107 LEU HD2 H 0.826 . 2 1056 107 107 LEU HG H 1.571 . 1 1057 107 107 LEU CA C 56.573 . 1 1058 107 107 LEU CB C 43.776 . 1 1059 107 107 LEU CD1 C 25.275 . 2 1060 107 107 LEU CD2 C 23.202 . 2 1061 107 107 LEU CG C 27.210 . 1 1062 107 107 LEU N N 128.466 . 1 stop_ save_