data_18934 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Binary complex of African Swine Fever Virus Pol X with MgdGTP ; _BMRB_accession_number 18934 _BMRB_flat_file_name bmr18934.str _Entry_type original _Submission_date 2013-01-03 _Accession_date 2013-01-03 _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 Wu Wen-Jin . . 2 Su Mei-I . . 3 Tsai Ming-Daw . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 1135 "13C chemical shifts" 796 "15N chemical shifts" 180 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2014-05-05 update BMRB 'update entry citation' 2014-03-31 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 18933 'African Swine Fever Virus Pol X (free form)' 18935 'Ternary complex of African Swine Fever Virus Pol X with MgdGTP and DNA' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'How a low-fidelity DNA polymerase chooses non-watson-crick from watson-crick incorporation.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 24617852 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Wu Wen-Jin . . 2 Su Mei-I . . 3 Wu Jian-Li . . 4 Kumar Sandeep . . 5 Lim Liang-Hin . . 6 Wang 'Chun-Wei Eric' . . 7 Nelissen Frank H.T. . 8 Chen 'Ming-Chuan Chad' . . 9 Doreleijers Jurgen F. . 10 Wijmenga Sybren S. . 11 Tsai Ming-Daw . . stop_ _Journal_abbreviation 'J. Am. Chem. Soc.' _Journal_name_full 'Journal of the American Chemical Society' _Journal_volume 136 _Journal_issue 13 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 4927 _Page_last 4937 _Year 2014 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Binary complex of African Swine Fever Virus Pol X with MgdGTP' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'African Swine Fever Virus Pol X' $entity_1 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE $entity_DGT MG2_1 $entity_MG MG2_2 $entity_MG 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_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity_1 _Molecular_mass 20351.670 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 174 _Mol_residue_sequence ; MLTLIQGKKIVNHLRSRLAF EYNGQLIKILSKNIVAVGSL RREEKMLNDVDLLIIVPEKK LLKHVLPNIRIKGLSFSVKV CGERKCVLFIEWEKKTYQLD LFTALAEEKPYAIFHFTGPV SYLIRIRAALKKKNYKLNQY GLFKNQTLVPLKITTEKELI KELGFTYRIPKKRL ; loop_ _Residue_seq_code _Residue_label 1 MET 2 LEU 3 THR 4 LEU 5 ILE 6 GLN 7 GLY 8 LYS 9 LYS 10 ILE 11 VAL 12 ASN 13 HIS 14 LEU 15 ARG 16 SER 17 ARG 18 LEU 19 ALA 20 PHE 21 GLU 22 TYR 23 ASN 24 GLY 25 GLN 26 LEU 27 ILE 28 LYS 29 ILE 30 LEU 31 SER 32 LYS 33 ASN 34 ILE 35 VAL 36 ALA 37 VAL 38 GLY 39 SER 40 LEU 41 ARG 42 ARG 43 GLU 44 GLU 45 LYS 46 MET 47 LEU 48 ASN 49 ASP 50 VAL 51 ASP 52 LEU 53 LEU 54 ILE 55 ILE 56 VAL 57 PRO 58 GLU 59 LYS 60 LYS 61 LEU 62 LEU 63 LYS 64 HIS 65 VAL 66 LEU 67 PRO 68 ASN 69 ILE 70 ARG 71 ILE 72 LYS 73 GLY 74 LEU 75 SER 76 PHE 77 SER 78 VAL 79 LYS 80 VAL 81 CYS 82 GLY 83 GLU 84 ARG 85 LYS 86 CYS 87 VAL 88 LEU 89 PHE 90 ILE 91 GLU 92 TRP 93 GLU 94 LYS 95 LYS 96 THR 97 TYR 98 GLN 99 LEU 100 ASP 101 LEU 102 PHE 103 THR 104 ALA 105 LEU 106 ALA 107 GLU 108 GLU 109 LYS 110 PRO 111 TYR 112 ALA 113 ILE 114 PHE 115 HIS 116 PHE 117 THR 118 GLY 119 PRO 120 VAL 121 SER 122 TYR 123 LEU 124 ILE 125 ARG 126 ILE 127 ARG 128 ALA 129 ALA 130 LEU 131 LYS 132 LYS 133 LYS 134 ASN 135 TYR 136 LYS 137 LEU 138 ASN 139 GLN 140 TYR 141 GLY 142 LEU 143 PHE 144 LYS 145 ASN 146 GLN 147 THR 148 LEU 149 VAL 150 PRO 151 LEU 152 LYS 153 ILE 154 THR 155 THR 156 GLU 157 LYS 158 GLU 159 LEU 160 ILE 161 LYS 162 GLU 163 LEU 164 GLY 165 PHE 166 THR 167 TYR 168 ARG 169 ILE 170 PRO 171 LYS 172 LYS 173 ARG 174 LEU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-11-25 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value BMRB 18933 entity 100.00 174 100.00 100.00 1.99e-119 BMRB 18935 entity 100.00 174 100.00 100.00 1.99e-119 PDB 1JAJ "Solution Structure Of Dna Polymerase X From The African Swine Fever Virus" 100.00 174 100.00 100.00 1.99e-119 PDB 1JQR "Nmr Structure Of The African Swine Fever Virus Dna Polymerase X" 100.00 174 100.00 100.00 1.99e-119 PDB 2M2T "Asfv Pol X Structure" 100.00 174 100.00 100.00 1.99e-119 PDB 2M2U "Binary Complex Of African Swine Fever Virus Pol X With Mgdgtp" 100.00 174 100.00 100.00 1.99e-119 PDB 2M2V "African Swine Fever Virus Pol X In The Ternary Complex With Mgdgtp And Dna" 100.00 174 100.00 100.00 1.99e-119 PDB 2M2W "Ternary Complex Of Asfv Pol X With Dna And Mgdgtp" 100.00 174 100.00 100.00 1.99e-119 EMBL CAN10196 "DNA polymerase beta-like protein [African swine fever virus Benin 97/1]" 100.00 174 100.00 100.00 1.99e-119 EMBL CAN10446 "DNA polymerase beta-like protein [African swine fever virus OURT 88/3]" 100.00 174 100.00 100.00 1.99e-119 EMBL CBH29197 "BA71V-O174L [African swine fever virus E75]" 100.00 174 100.00 100.00 1.99e-119 GB AAA65326 "DNA polymerase beta-like protein [African swine fever virus]" 100.00 174 100.00 100.00 1.99e-119 GB AIY22288 "DNA polymerase beta-like protein [African swine fever virus]" 100.00 174 100.00 100.00 1.99e-119 GB AIY22446 "DNA polymerase beta-like protein [African swine fever virus]" 100.00 174 100.00 100.00 1.99e-119 GB AKO62778 "pO174L [African swine fever virus]" 100.00 174 100.00 100.00 1.99e-119 PRF 2113434DC "DNA polymerase beta-like protein" 100.00 174 100.00 100.00 1.99e-119 REF NP_042790 "DNA polymerase beta-like protein [African swine fever virus]" 100.00 174 100.00 100.00 1.99e-119 SP P0C984 "RecName: Full=Repair DNA polymerase X; Short=Pol X [African swine fever virus Malawi LIL 20/1]" 100.00 174 98.85 99.43 1.25e-117 SP P42494 "RecName: Full=Repair DNA polymerase X; Short=Pol X" 100.00 174 100.00 100.00 1.99e-119 stop_ save_ ############# # Ligands # ############# save_MG _Saveframe_category ligand _Mol_type "non-polymer (NON-POLYMER)" _Name_common "entity_MG (MAGNESIUM ION)" _BMRB_code MG _PDB_code MG _Molecular_mass 24.305 _Mol_charge 2 _Mol_paramagnetic . _Mol_aromatic no _Details . loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons MG MG MG . 2 . ? stop_ _Mol_thiol_state . _Sequence_homology_query_date . save_ save_DGT _Saveframe_category ligand _Mol_type "non-polymer (NON-POLYMER)" _Name_common "entity_DGT (2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE)" _BMRB_code DGT _PDB_code DGT _Molecular_mass 507.181 _Mol_charge 0 _Mol_paramagnetic . _Mol_aromatic yes _Details . loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons PG PG P . 0 . ? O1G O1G O . 0 . ? O2G O2G O . 0 . ? O3G O3G O . 0 . ? O3B O3B O . 0 . ? PB PB P . 0 . ? O1B O1B O . 0 . ? O2B O2B O . 0 . ? O3A O3A O . 0 . ? PA PA P . 0 . ? O1A O1A O . 0 . ? O2A O2A O . 0 . ? O5' O5' O . 0 . ? C5' C5' C . 0 . ? C4' C4' C . 0 . ? O4' O4' O . 0 . ? C3' C3' C . 0 . ? O3' O3' O . 0 . ? C2' C2' C . 0 . ? C1' C1' C . 0 . ? N9 N9 N . 0 . ? C8 C8 C . 0 . ? N7 N7 N . 0 . ? C5 C5 C . 0 . ? C6 C6 C . 0 . ? O6 O6 O . 0 . ? N1 N1 N . 0 . ? C2 C2 C . 0 . ? N2 N2 N . 0 . ? N3 N3 N . 0 . ? C4 C4 C . 0 . ? HO1G HO1G H . 0 . ? HO2G HO2G H . 0 . ? HO1B HO1B H . 0 . ? HO1A HO1A H . 0 . ? H5' H5' H . 0 . ? H5'A H5'A H . 0 . ? H4' H4' H . 0 . ? H3' H3' H . 0 . ? HO3' HO3' H . 0 . ? H2' H2' H . 0 . ? H2'A H2'A H . 0 . ? H1' H1' H . 0 . ? H8 H8 H . 0 . ? HN2 HN2 H . 0 . ? HN2A HN2A H . 0 . ? H16 H16 H . 0 . ? stop_ loop_ _Bond_order _Bond_atom_one_atom_name _Bond_atom_two_atom_name _PDB_bond_atom_one_atom_name _PDB_bond_atom_two_atom_name SING PG O1G ? ? SING PG O2G ? ? SING O1G HO1G ? ? SING O2G HO2G ? ? DOUB O3G PG ? ? SING O3B PG ? ? SING PB O3B ? ? SING PB O1B ? ? SING PB O3A ? ? SING O1B HO1B ? ? DOUB O2B PB ? ? SING PA O3A ? ? SING PA O1A ? ? SING O1A HO1A ? ? DOUB O2A PA ? ? SING O5' PA ? ? SING O5' C5' ? ? SING C5' H5' ? ? SING C5' H5'A ? ? SING C4' C5' ? ? SING C4' H4' ? ? SING O4' C4' ? ? SING C3' C4' ? ? SING C3' O3' ? ? SING C3' H3' ? ? SING O3' HO3' ? ? SING C2' C3' ? ? SING C2' C1' ? ? SING C2' H2' ? ? SING C2' H2'A ? ? SING C1' O4' ? ? SING C1' H1' ? ? SING N9 C1' ? ? SING N9 C4 ? ? SING C8 N9 ? ? SING C8 H8 ? ? DOUB N7 C8 ? ? SING N7 C5 ? ? SING C5 C6 ? ? DOUB C5 C4 ? ? SING C6 N1 ? ? DOUB O6 C6 ? ? SING N1 C2 ? ? DOUB C2 N3 ? ? SING C2 N2 ? ? SING N2 HN2 ? ? SING N2 HN2A ? ? SING C4 N3 ? ? SING N1 H16 ? ? stop_ _Mol_thiol_state . _Sequence_homology_query_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity_1 'African Swine Fever Virus' 10497 Viruses . Asfivirus 'African Swine Fever Virus' 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_1 'recombinant technology' . . . . pET-17b $entity_MG 'obtained from a vendor' . . . . . $entity_DGT 'obtained from a vendor' . . . . . 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 0.5 mM '[U-100% 13C; U-100% 15N]' $entity_DGT 5 mM '[U-100% 13C; U-100% 15N]' $entity_MG 10 mM 'natural abundance' DTT 10 mM '[U-100% 2H]' Borate 50 mM 'natural abundance' 'potassium chloride' 50 mM 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 0.5 mM '[U-13C; U-15N; U-2H]' $entity_DGT 5 mM 'natural abundance' $entity_MG 10 mM 'natural abundance' DTT 10 mM '[U-100% 2H]' Borate 50 mM 'natural abundance' 'potassium chloride' 50 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ 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_Haddock _Saveframe_category software _Name HADDOCK _Version . loop_ _Vendor _Address _Electronic_address 'Dr. Alexandre Bonvin' . . 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_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 850 _Details . save_ save_spectrometer_3 _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_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_3D_HNCO_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_2 save_ save_3D_HNCA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_2 save_ save_3D_HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_2 save_ save_3D_HCCH-TOCSY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _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_aliphatic_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_aromatic_9 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aromatic' _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' 100 . mM pH 6.5 . pH pressure 1 . atm temperature 293 . 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 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '3D HNCO' '3D HNCA' '3D HNCACB' '3D HCCH-TOCSY' stop_ loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'African Swine Fever Virus Pol X' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 1 MET HA H 4.460 0.020 1 2 1 1 MET HB2 H 1.984 0.020 2 3 1 1 MET HB3 H 2.138 0.020 2 4 1 1 MET HG2 H 2.690 0.020 2 5 1 1 MET HG3 H 2.545 0.020 2 6 1 1 MET CA C 52.626 0.3 1 7 1 1 MET CB C 32.017 0.3 1 8 1 1 MET CG C 28.950 0.3 1 9 2 2 LEU H H 9.067 0.020 1 10 2 2 LEU HA H 4.872 0.020 1 11 2 2 LEU HB2 H 1.659 0.020 2 12 2 2 LEU HB3 H 1.533 0.020 2 13 2 2 LEU HG H 1.383 0.020 1 14 2 2 LEU HD1 H 0.320 0.020 1 15 2 2 LEU HD2 H 0.360 0.020 1 16 2 2 LEU C C 171.175 0.3 1 17 2 2 LEU CA C 51.936 0.3 1 18 2 2 LEU CB C 40.888 0.3 1 19 2 2 LEU CG C 24.151 0.3 1 20 2 2 LEU CD1 C 23.769 0.3 1 21 2 2 LEU CD2 C 22.786 0.3 1 22 2 2 LEU N N 121.190 0.3 1 23 3 3 THR H H 8.542 0.020 1 24 3 3 THR HA H 4.942 0.020 1 25 3 3 THR HB H 4.686 0.020 1 26 3 3 THR HG2 H 1.358 0.020 1 27 3 3 THR C C 172.982 0.3 1 28 3 3 THR CA C 58.402 0.3 1 29 3 3 THR CB C 68.621 0.3 1 30 3 3 THR CG2 C 19.533 0.3 1 31 3 3 THR N N 112.138 0.3 1 32 4 4 LEU H H 7.674 0.020 1 33 4 4 LEU HA H 3.981 0.020 1 34 4 4 LEU HB2 H 2.405 0.020 2 35 4 4 LEU HB3 H 1.659 0.020 2 36 4 4 LEU HG H 1.365 0.020 1 37 4 4 LEU HD1 H 1.143 0.020 1 38 4 4 LEU HD2 H 0.775 0.020 1 39 4 4 LEU C C 175.540 0.3 1 40 4 4 LEU CA C 55.906 0.3 1 41 4 4 LEU CB C 37.757 0.3 1 42 4 4 LEU CG C 24.565 0.3 1 43 4 4 LEU CD1 C 21.164 0.3 1 44 4 4 LEU CD2 C 22.840 0.3 1 45 4 4 LEU N N 121.822 0.3 1 46 5 5 ILE H H 7.698 0.020 1 47 5 5 ILE HA H 3.699 0.020 1 48 5 5 ILE HB H 1.778 0.020 1 49 5 5 ILE HG12 H 1.550 0.020 2 50 5 5 ILE HG13 H 1.285 0.020 2 51 5 5 ILE HG2 H 0.912 0.020 1 52 5 5 ILE HD1 H 0.891 0.020 1 53 5 5 ILE C C 175.606 0.3 1 54 5 5 ILE CA C 61.459 0.3 1 55 5 5 ILE CB C 35.073 0.3 1 56 5 5 ILE CG1 C 26.562 0.3 1 57 5 5 ILE CG2 C 14.919 0.3 1 58 5 5 ILE CD1 C 10.284 0.3 1 59 5 5 ILE N N 114.871 0.3 1 60 6 6 GLN H H 7.724 0.020 1 61 6 6 GLN HA H 4.026 0.020 1 62 6 6 GLN HB2 H 2.249 0.020 2 63 6 6 GLN HB3 H 1.793 0.020 2 64 6 6 GLN HG2 H 2.378 0.020 1 65 6 6 GLN HG3 H 2.378 0.020 1 66 6 6 GLN HE21 H 6.876 0.020 1 67 6 6 GLN HE22 H 7.209 0.020 1 68 6 6 GLN C C 175.895 0.3 1 69 6 6 GLN CA C 56.026 0.3 1 70 6 6 GLN CB C 26.426 0.3 1 71 6 6 GLN CG C 31.240 0.3 1 72 6 6 GLN N N 121.263 0.3 1 73 6 6 GLN NE2 N 110.629 0.3 1 74 7 7 GLY H H 8.613 0.020 1 75 7 7 GLY HA2 H 3.323 0.020 2 76 7 7 GLY HA3 H 3.226 0.020 2 77 7 7 GLY C C 172.052 0.3 1 78 7 7 GLY CA C 44.696 0.3 1 79 7 7 GLY N N 106.718 0.3 1 80 8 8 LYS H H 8.402 0.020 1 81 8 8 LYS HA H 3.764 0.020 1 82 8 8 LYS HB2 H 1.870 0.020 2 83 8 8 LYS HB3 H 1.778 0.020 2 84 8 8 LYS HG2 H 1.622 0.020 1 85 8 8 LYS HG3 H 1.622 0.020 1 86 8 8 LYS HD2 H 3.140 0.020 1 87 8 8 LYS HD3 H 3.140 0.020 1 88 8 8 LYS C C 176.772 0.3 1 89 8 8 LYS CA C 57.835 0.3 1 90 8 8 LYS CB C 29.780 0.3 1 91 8 8 LYS CG C 24.356 0.3 1 92 8 8 LYS CD C 40.584 0.3 1 93 8 8 LYS N N 120.263 0.3 1 94 9 9 LYS H H 7.853 0.020 1 95 9 9 LYS HA H 4.004 0.020 1 96 9 9 LYS HB2 H 2.026 0.020 2 97 9 9 LYS HB3 H 1.950 0.020 2 98 9 9 LYS HG2 H 1.503 0.020 2 99 9 9 LYS HG3 H 1.735 0.020 2 100 9 9 LYS HD2 H 1.768 0.020 2 101 9 9 LYS HD3 H 1.810 0.020 2 102 9 9 LYS HE2 H 2.984 0.020 1 103 9 9 LYS HE3 H 2.984 0.020 1 104 9 9 LYS C C 177.064 0.3 1 105 9 9 LYS CA C 57.266 0.3 1 106 9 9 LYS CB C 29.788 0.3 1 107 9 9 LYS CG C 23.137 0.3 1 108 9 9 LYS CD C 27.061 0.3 1 109 9 9 LYS CE C 39.463 0.3 1 110 9 9 LYS N N 120.310 0.3 1 111 10 10 ILE H H 7.932 0.020 1 112 10 10 ILE HA H 2.761 0.020 1 113 10 10 ILE HB H 1.423 0.020 1 114 10 10 ILE HG12 H 0.597 0.020 2 115 10 10 ILE HG13 H -0.865 0.020 2 116 10 10 ILE HG2 H 0.323 0.020 1 117 10 10 ILE HD1 H -0.218 0.020 1 118 10 10 ILE C C 175.080 0.3 1 119 10 10 ILE CA C 62.706 0.3 1 120 10 10 ILE CB C 34.328 0.3 1 121 10 10 ILE CG1 C 25.544 0.3 1 122 10 10 ILE CG2 C 13.880 0.3 1 123 10 10 ILE CD1 C 10.757 0.3 1 124 10 10 ILE N N 121.456 0.3 1 125 11 11 VAL H H 8.082 0.020 1 126 11 11 VAL HA H 3.172 0.020 1 127 11 11 VAL HB H 1.972 0.020 1 128 11 11 VAL HG1 H 0.809 0.020 1 129 11 11 VAL HG2 H 0.885 0.020 1 130 11 11 VAL C C 174.412 0.3 1 131 11 11 VAL CA C 65.427 0.3 1 132 11 11 VAL CB C 28.364 0.3 1 133 11 11 VAL CG1 C 18.712 0.3 1 134 11 11 VAL CG2 C 22.978 0.3 1 135 11 11 VAL N N 119.577 0.3 1 136 12 12 ASN H H 7.879 0.020 1 137 12 12 ASN HA H 4.289 0.020 1 138 12 12 ASN HB2 H 2.822 0.020 1 139 12 12 ASN HB3 H 2.822 0.020 1 140 12 12 ASN CA C 53.756 0.3 1 141 12 12 ASN CB C 35.670 0.3 1 142 12 12 ASN N N 115.867 0.3 1 143 13 13 HIS H H 7.838 0.020 1 144 13 13 HIS HA H 4.228 0.020 1 145 13 13 HIS HB2 H 3.127 0.020 1 146 13 13 HIS HB3 H 3.127 0.020 1 147 13 13 HIS HD2 H 7.027 0.020 1 148 13 13 HIS C C 175.080 0.3 1 149 13 13 HIS CA C 56.816 0.3 1 150 13 13 HIS CB C 29.333 0.3 1 151 13 13 HIS CD2 C 117.603 0.3 1 152 13 13 HIS N N 119.426 0.3 1 153 14 14 LEU H H 8.381 0.020 1 154 14 14 LEU HA H 3.794 0.020 1 155 14 14 LEU HB2 H 1.728 0.020 2 156 14 14 LEU HB3 H 1.158 0.020 2 157 14 14 LEU HG H 1.870 0.020 1 158 14 14 LEU HD1 H 0.587 0.020 1 159 14 14 LEU HD2 H 0.664 0.020 1 160 14 14 LEU C C 176.396 0.3 1 161 14 14 LEU CA C 54.433 0.3 1 162 14 14 LEU CB C 39.472 0.3 1 163 14 14 LEU CG C 23.586 0.3 1 164 14 14 LEU CD1 C 24.922 0.3 1 165 14 14 LEU CD2 C 20.756 0.3 1 166 14 14 LEU N N 115.777 0.3 1 167 15 15 ARG H H 7.946 0.020 1 168 15 15 ARG HA H 3.842 0.020 1 169 15 15 ARG HB2 H 1.935 0.020 2 170 15 15 ARG HB3 H 1.804 0.020 2 171 15 15 ARG HG2 H 1.486 0.020 2 172 15 15 ARG HG3 H 1.431 0.020 2 173 15 15 ARG HD2 H 2.951 0.020 1 174 15 15 ARG HD3 H 2.951 0.020 1 175 15 15 ARG C C 173.493 0.3 1 176 15 15 ARG CA C 57.495 0.3 1 177 15 15 ARG CB C 27.320 0.3 1 178 15 15 ARG CG C 21.947 0.3 1 179 15 15 ARG CD C 39.168 0.3 1 180 15 15 ARG N N 115.213 0.3 1 181 16 16 SER H H 7.020 0.020 1 182 16 16 SER HA H 4.808 0.020 1 183 16 16 SER HB2 H 4.064 0.020 2 184 16 16 SER HB3 H 3.753 0.020 2 185 16 16 SER C C 173.431 0.3 1 186 16 16 SER CA C 54.776 0.3 1 187 16 16 SER CB C 61.538 0.3 1 188 16 16 SER N N 108.680 0.3 1 189 17 17 ARG H H 7.806 0.020 1 190 17 17 ARG HA H 4.490 0.020 1 191 17 17 ARG HB2 H 2.339 0.020 1 192 17 17 ARG HB3 H 2.339 0.020 1 193 17 17 ARG HG2 H 2.054 0.020 1 194 17 17 ARG HG3 H 2.054 0.020 1 195 17 17 ARG HD2 H 4.299 0.020 1 196 17 17 ARG HD3 H 4.299 0.020 1 197 17 17 ARG HE H 7.679 0.020 1 198 17 17 ARG C C 175.623 0.3 1 199 17 17 ARG CA C 54.094 0.3 1 200 17 17 ARG CB C 30.153 0.3 1 201 17 17 ARG CG C 26.329 0.3 1 202 17 17 ARG N N 122.175 0.3 1 203 17 17 ARG NE N 78.476 0.3 1 204 18 18 LEU H H 8.806 0.020 1 205 18 18 LEU HA H 4.951 0.020 1 206 18 18 LEU HB2 H 1.870 0.020 2 207 18 18 LEU HB3 H 1.239 0.020 2 208 18 18 LEU HG H 1.790 0.020 1 209 18 18 LEU HD1 H 0.644 0.020 1 210 18 18 LEU HD2 H 0.700 0.020 1 211 18 18 LEU C C 173.577 0.3 1 212 18 18 LEU CA C 52.393 0.3 1 213 18 18 LEU CB C 41.783 0.3 1 214 18 18 LEU CG C 24.130 0.3 1 215 18 18 LEU CD1 C 23.013 0.3 1 216 18 18 LEU CD2 C 22.212 0.3 1 217 18 18 LEU N N 121.998 0.3 1 218 19 19 ALA H H 8.684 0.020 1 219 19 19 ALA HA H 5.036 0.020 1 220 19 19 ALA HB H 1.167 0.020 1 221 19 19 ALA C C 171.092 0.3 1 222 19 19 ALA CA C 48.551 0.3 1 223 19 19 ALA CB C 21.215 0.3 1 224 19 19 ALA N N 125.776 0.3 1 225 20 20 PHE H H 8.827 0.020 1 226 20 20 PHE HA H 5.479 0.020 1 227 20 20 PHE HB2 H 3.115 0.020 2 228 20 20 PHE HB3 H 2.954 0.020 2 229 20 20 PHE HD1 H 6.971 0.020 1 230 20 20 PHE HD2 H 6.971 0.020 1 231 20 20 PHE HE1 H 7.064 0.020 1 232 20 20 PHE HE2 H 7.064 0.020 1 233 20 20 PHE HZ H 6.858 0.020 1 234 20 20 PHE C C 169.797 0.3 1 235 20 20 PHE CA C 53.416 0.3 1 236 20 20 PHE CB C 39.770 0.3 1 237 20 20 PHE CD2 C 127.909 0.3 1 238 20 20 PHE CE2 C 128.990 0.3 1 239 20 20 PHE CZ C 126.806 0.3 1 240 20 20 PHE N N 113.856 0.3 1 241 21 21 GLU H H 7.853 0.020 1 242 21 21 GLU HA H 4.908 0.020 1 243 21 21 GLU HB2 H 2.015 0.020 2 244 21 21 GLU HB3 H 1.731 0.020 2 245 21 21 GLU C C 172.052 0.3 1 246 21 21 GLU CA C 52.621 0.3 1 247 21 21 GLU CB C 28.960 0.3 1 248 21 21 GLU CG C 33.703 0.3 1 249 21 21 GLU N N 122.295 0.3 1 250 22 22 TYR H H 8.847 0.020 1 251 22 22 TYR HA H 4.738 0.020 1 252 22 22 TYR HB2 H 2.890 0.020 2 253 22 22 TYR HB3 H 2.565 0.020 2 254 22 22 TYR HD1 H 6.612 0.020 1 255 22 22 TYR HD2 H 6.612 0.020 1 256 22 22 TYR HE1 H 6.312 0.020 1 257 22 22 TYR HE2 H 6.312 0.020 1 258 22 22 TYR C C 172.070 0.3 1 259 22 22 TYR CA C 53.301 0.3 1 260 22 22 TYR CB C 38.353 0.3 1 261 22 22 TYR CD1 C 130.025 0.3 1 262 22 22 TYR CE1 C 115.511 0.3 1 263 22 22 TYR N N 125.594 0.3 1 264 23 23 ASN H H 8.991 0.020 1 265 23 23 ASN HA H 4.039 0.020 1 266 23 23 ASN HB2 H 2.706 0.020 2 267 23 23 ASN HB3 H 1.777 0.020 2 268 23 23 ASN HD21 H 6.371 0.020 1 269 23 23 ASN HD22 H 6.816 0.020 1 270 23 23 ASN C C 172.679 0.3 1 271 23 23 ASN CA C 50.694 0.3 1 272 23 23 ASN CB C 34.179 0.3 1 273 23 23 ASN N N 127.898 0.3 1 274 23 23 ASN ND2 N 110.597 0.3 1 275 24 24 GLY H H 8.586 0.020 1 276 24 24 GLY HA2 H 4.026 0.020 2 277 24 24 GLY HA3 H 3.571 0.020 2 278 24 24 GLY C C 170.925 0.3 1 279 24 24 GLY CA C 42.653 0.3 1 280 24 24 GLY N N 103.320 0.3 1 281 25 25 GLN H H 7.625 0.020 1 282 25 25 GLN HA H 4.505 0.020 1 283 25 25 GLN HB2 H 1.966 0.020 2 284 25 25 GLN HB3 H 1.908 0.020 2 285 25 25 GLN HG2 H 2.205 0.020 1 286 25 25 GLN HG3 H 2.205 0.020 1 287 25 25 GLN HE21 H 6.475 0.020 1 288 25 25 GLN HE22 H 8.025 0.020 1 289 25 25 GLN C C 170.942 0.3 1 290 25 25 GLN CA C 50.922 0.3 1 291 25 25 GLN CB C 28.886 0.3 1 292 25 25 GLN CG C 30.708 0.3 1 293 25 25 GLN N N 119.296 0.3 1 294 25 25 GLN NE2 N 117.408 0.3 1 295 26 26 LEU H H 8.450 0.020 1 296 26 26 LEU HA H 4.391 0.020 1 297 26 26 LEU HB2 H 1.410 0.020 1 298 26 26 LEU HB3 H 1.410 0.020 1 299 26 26 LEU HG H 1.243 0.020 1 300 26 26 LEU HD1 H 0.683 0.020 1 301 26 26 LEU HD2 H 0.694 0.020 1 302 26 26 LEU C C 173.159 0.3 1 303 26 26 LEU CA C 51.717 0.3 1 304 26 26 LEU CB C 39.248 0.3 1 305 26 26 LEU CG C 24.456 0.3 1 306 26 26 LEU CD1 C 21.705 0.3 1 307 26 26 LEU CD2 C 22.128 0.3 1 308 26 26 LEU N N 124.194 0.3 1 309 27 27 ILE H H 8.914 0.020 1 310 27 27 ILE HA H 3.932 0.020 1 311 27 27 ILE HB H 0.616 0.020 1 312 27 27 ILE HG12 H 1.052 0.020 2 313 27 27 ILE HG13 H 0.898 0.020 2 314 27 27 ILE HG2 H 0.642 0.020 1 315 27 27 ILE HD1 H 0.600 0.020 1 316 27 27 ILE C C 172.407 0.3 1 317 27 27 ILE CA C 57.041 0.3 1 318 27 27 ILE CB C 33.955 0.3 1 319 27 27 ILE CG1 C 24.486 0.3 1 320 27 27 ILE CG2 C 14.860 0.3 1 321 27 27 ILE CD1 C 9.473 0.3 1 322 27 27 ILE N N 130.251 0.3 1 323 28 28 LYS H H 8.231 0.020 1 324 28 28 LYS HA H 4.057 0.020 1 325 28 28 LYS HB2 H 1.724 0.020 2 326 28 28 LYS HB3 H 1.636 0.020 2 327 28 28 LYS HG2 H 1.281 0.020 1 328 28 28 LYS HG3 H 1.281 0.020 1 329 28 28 LYS HD2 H 1.469 0.020 1 330 28 28 LYS HD3 H 1.469 0.020 1 331 28 28 LYS HE2 H 2.927 0.020 1 332 28 28 LYS HE3 H 2.927 0.020 1 333 28 28 LYS C C 173.952 0.3 1 334 28 28 LYS CA C 54.553 0.3 1 335 28 28 LYS CB C 30.004 0.3 1 336 28 28 LYS CG C 22.555 0.3 1 337 28 28 LYS CD C 24.286 0.3 1 338 28 28 LYS CE C 39.463 0.3 1 339 28 28 LYS N N 125.650 0.3 1 340 29 29 ILE H H 8.082 0.020 1 341 29 29 ILE HA H 4.176 0.020 1 342 29 29 ILE HB H 1.530 0.020 1 343 29 29 ILE HG12 H 1.685 0.020 2 344 29 29 ILE HG13 H 1.119 0.020 2 345 29 29 ILE HG2 H 0.920 0.020 1 346 29 29 ILE HD1 H 0.745 0.020 1 347 29 29 ILE C C 173.075 0.3 1 348 29 29 ILE CA C 57.949 0.3 1 349 29 29 ILE CB C 35.222 0.3 1 350 29 29 ILE CG1 C 26.564 0.3 1 351 29 29 ILE CG2 C 14.827 0.3 1 352 29 29 ILE CD1 C 10.904 0.3 1 353 29 29 ILE N N 125.802 0.3 1 354 30 30 LEU H H 8.980 0.020 1 355 30 30 LEU HA H 4.259 0.020 1 356 30 30 LEU HB2 H 1.687 0.020 1 357 30 30 LEU HB3 H 1.687 0.020 1 358 30 30 LEU HG H 1.780 0.020 1 359 30 30 LEU HD1 H 0.930 0.020 1 360 30 30 LEU HD2 H 0.860 0.020 1 361 30 30 LEU CA C 52.280 0.3 1 362 30 30 LEU CB C 39.323 0.3 1 363 30 30 LEU CG C 24.376 0.3 1 364 30 30 LEU CD1 C 22.826 0.3 1 365 30 30 LEU CD2 C 19.665 0.3 1 366 30 30 LEU N N 128.750 0.3 1 367 31 31 SER H H 8.651 0.020 1 368 31 31 SER HA H 4.139 0.020 1 369 31 31 SER HB2 H 3.912 0.020 1 370 31 31 SER HB3 H 3.912 0.020 1 371 31 31 SER CA C 58.966 0.3 1 372 31 31 SER CB C 60.122 0.3 1 373 31 31 SER N N 117.327 0.3 1 374 32 32 LYS H H 8.055 0.020 1 375 32 32 LYS HA H 4.219 0.020 1 376 32 32 LYS HB2 H 1.871 0.020 2 377 32 32 LYS HB3 H 1.756 0.020 2 378 32 32 LYS HG2 H 1.113 0.020 2 379 32 32 LYS HG3 H 1.353 0.020 2 380 32 32 LYS HD2 H 1.626 0.020 1 381 32 32 LYS HD3 H 1.626 0.020 1 382 32 32 LYS HE2 H 2.933 0.020 1 383 32 32 LYS HE3 H 2.933 0.020 1 384 32 32 LYS C C 173.389 0.3 1 385 32 32 LYS CA C 55.003 0.3 1 386 32 32 LYS CB C 28.513 0.3 1 387 32 32 LYS CG C 22.081 0.3 1 388 32 32 LYS CD C 26.522 0.3 1 389 32 32 LYS CE C 39.355 0.3 1 390 32 32 LYS N N 115.443 0.3 1 391 33 33 ASN H H 7.952 0.020 1 392 33 33 ASN HA H 4.907 0.020 1 393 33 33 ASN HB2 H 3.918 0.020 2 394 33 33 ASN HB3 H 2.800 0.020 2 395 33 33 ASN HD21 H 6.936 0.020 1 396 33 33 ASN HD22 H 7.689 0.020 1 397 33 33 ASN C C 173.322 0.3 1 398 33 33 ASN CA C 49.679 0.3 1 399 33 33 ASN CB C 36.117 0.3 1 400 33 33 ASN N N 118.614 0.3 1 401 33 33 ASN ND2 N 113.194 0.3 1 402 34 34 ILE H H 7.425 0.020 1 403 34 34 ILE HA H 4.789 0.020 1 404 34 34 ILE HB H 1.800 0.020 1 405 34 34 ILE HG12 H 1.695 0.020 1 406 34 34 ILE HG13 H 1.695 0.020 1 407 34 34 ILE HG2 H 0.624 0.020 1 408 34 34 ILE HD1 H 0.805 0.020 1 409 34 34 ILE C C 172.867 0.3 1 410 34 34 ILE CA C 58.169 0.3 1 411 34 34 ILE CB C 37.310 0.3 1 412 34 34 ILE CG1 C 24.456 0.3 1 413 34 34 ILE CG2 C 15.293 0.3 1 414 34 34 ILE CD1 C 13.267 0.3 1 415 34 34 ILE N N 119.203 0.3 1 416 35 35 VAL H H 9.546 0.020 1 417 35 35 VAL HA H 4.346 0.020 1 418 35 35 VAL HB H 1.897 0.020 1 419 35 35 VAL HG1 H 0.859 0.020 1 420 35 35 VAL HG2 H 0.784 0.020 1 421 35 35 VAL C C 172.386 0.3 1 422 35 35 VAL CA C 57.727 0.3 1 423 35 35 VAL CB C 32.986 0.3 1 424 35 35 VAL CG1 C 17.761 0.3 1 425 35 35 VAL CG2 C 17.530 0.3 1 426 35 35 VAL N N 128.698 0.3 1 427 36 36 ALA H H 8.742 0.020 1 428 36 36 ALA HA H 4.573 0.020 1 429 36 36 ALA HB H 1.327 0.020 1 430 36 36 ALA C C 174.036 0.3 1 431 36 36 ALA CA C 50.355 0.3 1 432 36 36 ALA CB C 16.239 0.3 1 433 36 36 ALA N N 129.945 0.3 1 434 37 37 VAL H H 8.395 0.020 1 435 37 37 VAL HA H 4.558 0.020 1 436 37 37 VAL HB H 1.884 0.020 1 437 37 37 VAL HG1 H 0.800 0.020 1 438 37 37 VAL HG2 H 0.380 0.020 1 439 37 37 VAL C C 172.240 0.3 1 440 37 37 VAL CA C 57.153 0.3 1 441 37 37 VAL CB C 30.302 0.3 1 442 37 37 VAL CG1 C 20.298 0.3 1 443 37 37 VAL CG2 C 15.154 0.3 1 444 37 37 VAL N N 116.124 0.3 1 445 38 38 GLY H H 8.191 0.020 1 446 38 38 GLY HA2 H 4.798 0.020 2 447 38 38 GLY HA3 H 4.425 0.020 2 448 38 38 GLY C C 171.906 0.3 1 449 38 38 GLY CA C 43.561 0.3 1 450 38 38 GLY N N 108.362 0.3 1 451 39 39 SER H H 8.284 0.020 1 452 39 39 SER HA H 4.274 0.020 1 453 39 39 SER HB2 H 3.787 0.020 1 454 39 39 SER HB3 H 3.787 0.020 1 455 39 39 SER CA C 58.288 0.3 1 456 39 39 SER CB C 60.047 0.3 1 457 39 39 SER N N 116.236 0.3 1 458 40 40 LEU H H 8.456 0.020 1 459 40 40 LEU HA H 4.074 0.020 1 460 40 40 LEU HB2 H 1.967 0.020 1 461 40 40 LEU HB3 H 1.967 0.020 1 462 40 40 LEU HG H 1.548 0.020 1 463 40 40 LEU HD1 H 0.792 0.020 1 464 40 40 LEU HD2 H 0.743 0.020 1 465 40 40 LEU C C 178.212 0.3 1 466 40 40 LEU CA C 56.705 0.3 1 467 40 40 LEU CB C 39.994 0.3 1 468 40 40 LEU CG C 25.435 0.3 1 469 40 40 LEU CD1 C 23.957 0.3 1 470 40 40 LEU CD2 C 23.639 0.3 1 471 40 40 LEU N N 122.630 0.3 1 472 41 41 ARG H H 6.917 0.020 1 473 41 41 ARG HA H 3.951 0.020 1 474 41 41 ARG HB2 H 1.777 0.020 1 475 41 41 ARG HB3 H 1.777 0.020 1 476 41 41 ARG HG2 H 1.555 0.020 1 477 41 41 ARG HG3 H 1.555 0.020 1 478 41 41 ARG HD2 H 2.904 0.020 1 479 41 41 ARG HD3 H 2.904 0.020 1 480 41 41 ARG C C 174.245 0.3 1 481 41 41 ARG CA C 56.250 0.3 1 482 41 41 ARG CB C 26.649 0.3 1 483 41 41 ARG CG C 26.458 0.3 1 484 41 41 ARG N N 121.383 0.3 1 485 42 42 ARG H H 6.954 0.020 1 486 42 42 ARG HA H 3.627 0.020 1 487 42 42 ARG HB2 H 1.916 0.020 2 488 42 42 ARG HB3 H 1.779 0.020 2 489 42 42 ARG HG2 H 2.100 0.020 1 490 42 42 ARG HG3 H 2.100 0.020 1 491 42 42 ARG HD2 H 2.195 0.020 1 492 42 42 ARG HD3 H 2.195 0.020 1 493 42 42 ARG HE H 7.935 0.020 1 494 42 42 ARG C C 170.006 0.3 1 495 42 42 ARG CA C 54.777 0.3 1 496 42 42 ARG CB C 27.544 0.3 1 497 42 42 ARG CG C 33.885 0.3 1 498 42 42 ARG CD C 34.131 0.3 1 499 42 42 ARG N N 112.879 0.3 1 500 42 42 ARG NE N 83.330 0.3 1 501 43 43 GLU H H 7.721 0.020 1 502 43 43 GLU HA H 3.642 0.020 1 503 43 43 GLU HB2 H 2.112 0.020 1 504 43 43 GLU HB3 H 2.112 0.020 1 505 43 43 GLU HG2 H 2.075 0.020 1 506 43 43 GLU HG3 H 2.075 0.020 1 507 43 43 GLU C C 173.159 0.3 1 508 43 43 GLU CA C 54.323 0.3 1 509 43 43 GLU CB C 23.369 0.3 1 510 43 43 GLU CG C 34.062 0.3 1 511 43 43 GLU N N 112.553 0.3 1 512 44 44 GLU H H 7.264 0.020 1 513 44 44 GLU HA H 4.121 0.020 1 514 44 44 GLU HB2 H 2.210 0.020 1 515 44 44 GLU HB3 H 2.210 0.020 1 516 44 44 GLU HG2 H 2.350 0.020 1 517 44 44 GLU HG3 H 2.350 0.020 1 518 44 44 GLU C C 172.115 0.3 1 519 44 44 GLU CA C 54.889 0.3 1 520 44 44 GLU CB C 26.202 0.3 1 521 44 44 GLU CG C 35.031 0.3 1 522 44 44 GLU N N 119.124 0.3 1 523 45 45 LYS H H 7.949 0.020 1 524 45 45 LYS HA H 3.839 0.020 1 525 45 45 LYS HB2 H 1.838 0.020 1 526 45 45 LYS HB3 H 1.838 0.020 1 527 45 45 LYS HG2 H 1.487 0.020 2 528 45 45 LYS HG3 H 1.595 0.020 2 529 45 45 LYS HD2 H 1.721 0.020 1 530 45 45 LYS HD3 H 1.721 0.020 1 531 45 45 LYS HE2 H 3.025 0.020 1 532 45 45 LYS HE3 H 3.025 0.020 1 533 45 45 LYS C C 174.871 0.3 1 534 45 45 LYS CA C 57.154 0.3 1 535 45 45 LYS CB C 30.451 0.3 1 536 45 45 LYS CG C 22.866 0.3 1 537 45 45 LYS CD C 26.522 0.3 1 538 45 45 LYS CE C 39.463 0.3 1 539 45 45 LYS N N 115.473 0.3 1 540 46 46 MET H H 7.650 0.020 1 541 46 46 MET HA H 5.105 0.020 1 542 46 46 MET HB2 H 1.837 0.020 1 543 46 46 MET HB3 H 1.837 0.020 1 544 46 46 MET HG2 H 2.616 0.020 2 545 46 46 MET HG3 H 2.342 0.020 2 546 46 46 MET C C 171.363 0.3 1 547 46 46 MET CA C 49.675 0.3 1 548 46 46 MET CB C 31.569 0.3 1 549 46 46 MET CG C 29.284 0.3 1 550 46 46 MET N N 115.233 0.3 1 551 47 47 LEU H H 9.479 0.020 1 552 47 47 LEU HA H 4.759 0.020 1 553 47 47 LEU HB2 H 1.529 0.020 1 554 47 47 LEU HB3 H 1.529 0.020 1 555 47 47 LEU HG H 1.376 0.020 1 556 47 47 LEU HD1 H 0.800 0.020 1 557 47 47 LEU HD2 H 0.725 0.020 1 558 47 47 LEU C C 171.364 0.3 1 559 47 47 LEU CA C 49.498 0.3 1 560 47 47 LEU CB C 41.335 0.3 1 561 47 47 LEU CG C 24.900 0.3 1 562 47 47 LEU CD1 C 24.919 0.3 1 563 47 47 LEU CD2 C 20.376 0.3 1 564 47 47 LEU N N 120.733 0.3 1 565 48 48 ASN H H 10.097 0.020 1 566 48 48 ASN HA H 4.530 0.020 1 567 48 48 ASN HB2 H 2.800 0.020 1 568 48 48 ASN HB3 H 2.800 0.020 1 569 48 48 ASN C C 171.112 0.3 1 570 48 48 ASN CA C 53.078 0.3 1 571 48 48 ASN CB C 35.744 0.3 1 572 48 48 ASN N N 123.092 0.3 1 573 49 49 ASP H H 7.760 0.020 1 574 49 49 ASP HA H 4.250 0.020 1 575 49 49 ASP HB2 H 2.730 0.020 1 576 49 49 ASP HB3 H 2.730 0.020 1 577 49 49 ASP CA C 48.890 0.3 1 578 49 49 ASP CB C 38.801 0.3 1 579 49 49 ASP N N 119.467 0.3 1 580 50 50 VAL H H 7.772 0.020 1 581 50 50 VAL HA H 4.072 0.020 1 582 50 50 VAL HB H 1.760 0.020 1 583 50 50 VAL HG1 H 0.538 0.020 1 584 50 50 VAL HG2 H 0.664 0.020 1 585 50 50 VAL C C 170.089 0.3 1 586 50 50 VAL CA C 59.990 0.3 1 587 50 50 VAL CB C 30.451 0.3 1 588 50 50 VAL CG1 C 18.997 0.3 1 589 50 50 VAL CG2 C 18.714 0.3 1 590 50 50 VAL N N 117.395 0.3 1 591 51 51 ASP H H 8.604 0.020 1 592 51 51 ASP HA H 5.450 0.020 1 593 51 51 ASP HB2 H 2.375 0.020 2 594 51 51 ASP HB3 H 2.420 0.020 2 595 51 51 ASP CA C 50.585 0.3 1 596 51 51 ASP CB C 40.739 0.3 1 597 51 51 ASP N N 126.344 0.3 1 598 52 52 LEU H H 9.454 0.020 1 599 52 52 LEU HA H 4.793 0.020 1 600 52 52 LEU HB2 H 1.442 0.020 2 601 52 52 LEU HB3 H 1.355 0.020 2 602 52 52 LEU HG H 1.335 0.020 1 603 52 52 LEU HD1 H 0.579 0.020 1 604 52 52 LEU HD2 H 0.637 0.020 1 605 52 52 LEU C C 170.298 0.3 1 606 52 52 LEU CA C 50.698 0.3 1 607 52 52 LEU CB C 43.572 0.3 1 608 52 52 LEU CG C 23.369 0.3 1 609 52 52 LEU CD1 C 22.472 0.3 1 610 52 52 LEU CD2 C 21.708 0.3 1 611 52 52 LEU N N 123.955 0.3 1 612 53 53 LEU H H 9.083 0.020 1 613 53 53 LEU HA H 4.799 0.020 1 614 53 53 LEU HB2 H 2.013 0.020 1 615 53 53 LEU HB3 H 2.013 0.020 1 616 53 53 LEU HG H 1.267 0.020 1 617 53 53 LEU HD1 H 0.640 0.020 1 618 53 53 LEU HD2 H 0.663 0.020 1 619 53 53 LEU CA C 50.591 0.3 1 620 53 53 LEU CB C 42.901 0.3 1 621 53 53 LEU CG C 24.021 0.3 1 622 53 53 LEU CD1 C 21.183 0.3 1 623 53 53 LEU CD2 C 25.026 0.3 1 624 53 53 LEU N N 125.210 0.3 1 625 54 54 ILE H H 9.297 0.020 1 626 54 54 ILE HA H 4.813 0.020 1 627 54 54 ILE HB H 1.690 0.020 1 628 54 54 ILE HG12 H 1.387 0.020 2 629 54 54 ILE HG13 H 0.950 0.020 2 630 54 54 ILE HG2 H 0.665 0.020 1 631 54 54 ILE HD1 H 0.623 0.020 1 632 54 54 ILE C C 172.261 0.3 1 633 54 54 ILE CA C 56.475 0.3 1 634 54 54 ILE CB C 37.012 0.3 1 635 54 54 ILE CG1 C 24.782 0.3 1 636 54 54 ILE CG2 C 14.910 0.3 1 637 54 54 ILE CD1 C 11.461 0.3 1 638 54 54 ILE N N 127.066 0.3 1 639 55 55 ILE H H 9.243 0.020 1 640 55 55 ILE HA H 4.679 0.020 1 641 55 55 ILE HB H 1.948 0.020 1 642 55 55 ILE HG12 H 1.457 0.020 2 643 55 55 ILE HG13 H 1.242 0.020 2 644 55 55 ILE HG2 H 0.688 0.020 1 645 55 55 ILE HD1 H 0.614 0.020 1 646 55 55 ILE C C 172.867 0.3 1 647 55 55 ILE CA C 55.457 0.3 1 648 55 55 ILE CB C 32.864 0.3 1 649 55 55 ILE CG1 C 24.486 0.3 1 650 55 55 ILE CG2 C 14.964 0.3 1 651 55 55 ILE CD1 C 8.226 0.3 1 652 55 55 ILE N N 127.251 0.3 1 653 56 56 VAL H H 9.175 0.020 1 654 56 56 VAL HA H 4.294 0.020 1 655 56 56 VAL HB H 1.860 0.020 1 656 56 56 VAL HG1 H 0.786 0.020 1 657 56 56 VAL HG2 H 0.790 0.020 1 658 56 56 VAL CA C 56.583 0.3 1 659 56 56 VAL CB C 30.675 0.3 1 660 56 56 VAL CG1 C 18.586 0.3 1 661 56 56 VAL CG2 C 19.214 0.3 1 662 56 56 VAL N N 129.261 0.3 1 663 57 57 PRO HA H 4.345 0.020 1 664 57 57 PRO HB2 H 2.377 0.020 2 665 57 57 PRO HB3 H 2.060 0.020 2 666 57 57 PRO HG2 H 1.768 0.020 1 667 57 57 PRO HG3 H 1.768 0.020 1 668 57 57 PRO HD2 H 3.848 0.020 1 669 57 57 PRO HD3 H 3.848 0.020 1 670 57 57 PRO C C 173.728 0.3 1 671 57 57 PRO CA C 62.249 0.3 1 672 57 57 PRO CB C 30.015 0.3 1 673 58 58 GLU H H 6.736 0.020 1 674 58 58 GLU HA H 4.729 0.020 1 675 58 58 GLU HB2 H 2.067 0.020 2 676 58 58 GLU HB3 H 1.873 0.020 2 677 58 58 GLU HG2 H 2.246 0.020 1 678 58 58 GLU HG3 H 2.246 0.020 1 679 58 58 GLU C C 173.180 0.3 1 680 58 58 GLU CA C 51.987 0.3 1 681 58 58 GLU CB C 29.787 0.3 1 682 58 58 GLU CG C 33.281 0.3 1 683 58 58 GLU N N 113.921 0.3 1 684 59 59 LYS H H 8.921 0.020 1 685 59 59 LYS HA H 3.840 0.020 1 686 59 59 LYS HB2 H 1.880 0.020 1 687 59 59 LYS HB3 H 1.880 0.020 1 688 59 59 LYS C C 176.304 0.3 1 689 59 59 LYS CA C 57.420 0.3 1 690 59 59 LYS CB C 29.558 0.3 1 691 59 59 LYS N N 126.244 0.3 1 692 60 60 LYS H H 8.956 0.020 1 693 60 60 LYS HA H 4.180 0.020 1 694 60 60 LYS HB2 H 1.964 0.020 2 695 60 60 LYS HB3 H 1.835 0.020 2 696 60 60 LYS HG2 H 1.221 0.020 1 697 60 60 LYS HG3 H 1.221 0.020 1 698 60 60 LYS HD2 H 1.672 0.020 1 699 60 60 LYS HD3 H 1.672 0.020 1 700 60 60 LYS HE2 H 2.913 0.020 1 701 60 60 LYS HE3 H 2.913 0.020 1 702 60 60 LYS C C 174.224 0.3 1 703 60 60 LYS CA C 55.838 0.3 1 704 60 60 LYS CB C 28.886 0.3 1 705 60 60 LYS CG C 22.062 0.3 1 706 60 60 LYS CD C 26.740 0.3 1 707 60 60 LYS CE C 39.246 0.3 1 708 60 60 LYS N N 117.478 0.3 1 709 61 61 LEU H H 7.313 0.020 1 710 61 61 LEU HA H 4.181 0.020 1 711 61 61 LEU HB2 H 1.611 0.020 2 712 61 61 LEU HB3 H 1.274 0.020 2 713 61 61 LEU HG H 1.380 0.020 1 714 61 61 LEU HD1 H 0.887 0.020 1 715 61 61 LEU HD2 H 0.353 0.020 1 716 61 61 LEU C C 175.686 0.3 1 717 61 61 LEU CA C 52.429 0.3 1 718 61 61 LEU CB C 39.397 0.3 1 719 61 61 LEU CG C 24.130 0.3 1 720 61 61 LEU CD1 C 23.074 0.3 1 721 61 61 LEU CD2 C 19.010 0.3 1 722 61 61 LEU N N 115.179 0.3 1 723 62 62 LEU H H 7.326 0.020 1 724 62 62 LEU HA H 3.760 0.020 1 725 62 62 LEU HB2 H 1.796 0.020 2 726 62 62 LEU HB3 H 1.542 0.020 2 727 62 62 LEU HG H 0.838 0.020 1 728 62 62 LEU HD1 H 0.796 0.020 1 729 62 62 LEU HD2 H 0.785 0.020 1 730 62 62 LEU CA C 56.715 0.3 1 731 62 62 LEU CB C 39.077 0.3 1 732 62 62 LEU CG C 24.130 0.3 1 733 62 62 LEU CD1 C 20.989 0.3 1 734 62 62 LEU CD2 C 21.887 0.3 1 735 62 62 LEU N N 119.327 0.3 1 736 63 63 LYS H H 8.123 0.020 1 737 63 63 LYS HA H 3.924 0.020 1 738 63 63 LYS HB2 H 1.528 0.020 2 739 63 63 LYS HB3 H 1.433 0.020 2 740 63 63 LYS HG2 H 1.112 0.020 2 741 63 63 LYS HG3 H 0.669 0.020 2 742 63 63 LYS HD2 H 1.252 0.020 1 743 63 63 LYS HD3 H 1.252 0.020 1 744 63 63 LYS HE2 H 2.902 0.020 1 745 63 63 LYS HE3 H 2.902 0.020 1 746 63 63 LYS C C 172.679 0.3 1 747 63 63 LYS CA C 55.159 0.3 1 748 63 63 LYS CB C 28.886 0.3 1 749 63 63 LYS CG C 20.711 0.3 1 750 63 63 LYS CD C 24.362 0.3 1 751 63 63 LYS CE C 38.923 0.3 1 752 63 63 LYS N N 114.038 0.3 1 753 64 64 HIS H H 7.601 0.020 1 754 64 64 HIS HA H 4.466 0.020 1 755 64 64 HIS HB2 H 3.391 0.020 2 756 64 64 HIS HB3 H 2.846 0.020 2 757 64 64 HIS HD2 H 7.003 0.020 1 758 64 64 HIS C C 173.618 0.3 1 759 64 64 HIS CA C 53.573 0.3 1 760 64 64 HIS CB C 30.461 0.3 1 761 64 64 HIS CD2 C 117.616 0.3 1 762 64 64 HIS N N 114.797 0.3 1 763 65 65 VAL H H 6.850 0.020 1 764 65 65 VAL HA H 2.901 0.020 1 765 65 65 VAL HB H 1.658 0.020 1 766 65 65 VAL HG1 H 0.298 0.020 1 767 65 65 VAL HG2 H -0.085 0.020 1 768 65 65 VAL C C 173.605 0.3 1 769 65 65 VAL CA C 63.760 0.3 1 770 65 65 VAL CB C 28.195 0.3 1 771 65 65 VAL CG1 C 17.680 0.3 1 772 65 65 VAL CG2 C 18.157 0.3 1 773 65 65 VAL N N 118.174 0.3 1 774 66 66 LEU H H 8.703 0.020 1 775 66 66 LEU HA H 4.141 0.020 1 776 66 66 LEU HB2 H 2.047 0.020 2 777 66 66 LEU HB3 H 1.158 0.020 2 778 66 66 LEU HG H 1.550 0.020 1 779 66 66 LEU HD1 H 0.545 0.020 1 780 66 66 LEU HD2 H 0.502 0.020 1 781 66 66 LEU C C 175.101 0.3 1 782 66 66 LEU CA C 55.851 0.3 1 783 66 66 LEU CB C 34.775 0.3 1 784 66 66 LEU CG C 21.846 0.3 1 785 66 66 LEU CD1 C 22.514 0.3 1 786 66 66 LEU CD2 C 19.963 0.3 1 787 66 66 LEU N N 114.018 0.3 1 788 67 67 PRO HA H 4.439 0.020 1 789 67 67 PRO HB2 H 2.360 0.020 2 790 67 67 PRO HB3 H 1.620 0.020 2 791 67 67 PRO HG2 H 2.020 0.020 1 792 67 67 PRO HG3 H 2.020 0.020 1 793 67 67 PRO HD2 H 3.150 0.020 1 794 67 67 PRO HD3 H 3.150 0.020 1 795 67 67 PRO C C 173.863 0.3 1 796 67 67 PRO CA C 62.646 0.3 1 797 67 67 PRO CB C 28.880 0.3 1 798 67 67 PRO CG C 25.135 0.3 1 799 67 67 PRO CD C 48.042 0.3 1 800 68 68 ASN H H 7.011 0.020 1 801 68 68 ASN HA H 5.252 0.020 1 802 68 68 ASN HB2 H 3.361 0.020 1 803 68 68 ASN HB3 H 3.361 0.020 1 804 68 68 ASN CA C 48.600 0.3 1 805 68 68 ASN CB C 38.353 0.3 1 806 68 68 ASN N N 111.480 0.3 1 807 69 69 ILE H H 7.151 0.020 1 808 69 69 ILE HA H 4.544 0.020 1 809 69 69 ILE HB H 2.199 0.020 1 810 69 69 ILE HG12 H 1.357 0.020 2 811 69 69 ILE HG13 H 1.083 0.020 2 812 69 69 ILE HG2 H 0.775 0.020 1 813 69 69 ILE HD1 H 0.745 0.020 1 814 69 69 ILE C C 171.509 0.3 1 815 69 69 ILE CA C 57.205 0.3 1 816 69 69 ILE CB C 36.580 0.3 1 817 69 69 ILE CG1 C 25.979 0.3 1 818 69 69 ILE CG2 C 16.405 0.3 1 819 69 69 ILE CD1 C 11.028 0.3 1 820 69 69 ILE N N 122.641 0.3 1 821 70 70 ARG H H 8.945 0.020 1 822 70 70 ARG HA H 4.755 0.020 1 823 70 70 ARG HB2 H 1.445 0.020 1 824 70 70 ARG HB3 H 1.445 0.020 1 825 70 70 ARG HG2 H 1.125 0.020 1 826 70 70 ARG HG3 H 1.125 0.020 1 827 70 70 ARG HD2 H 1.766 0.020 1 828 70 70 ARG HD3 H 1.766 0.020 1 829 70 70 ARG C C 171.802 0.3 1 830 70 70 ARG CA C 50.857 0.3 1 831 70 70 ARG CB C 30.675 0.3 1 832 70 70 ARG N N 126.375 0.3 1 833 71 71 ILE H H 7.580 0.020 1 834 71 71 ILE HA H 4.634 0.020 1 835 71 71 ILE HB H 1.714 0.020 1 836 71 71 ILE HG12 H 0.886 0.020 2 837 71 71 ILE HG13 H 0.570 0.020 2 838 71 71 ILE HG2 H 0.652 0.020 1 839 71 71 ILE HD1 H 0.080 0.020 1 840 71 71 ILE C C 172.804 0.3 1 841 71 71 ILE CA C 57.418 0.3 1 842 71 71 ILE CB C 36.346 0.3 1 843 71 71 ILE CG1 C 23.260 0.3 1 844 71 71 ILE CG2 C 16.275 0.3 1 845 71 71 ILE CD1 C 10.115 0.3 1 846 71 71 ILE N N 119.088 0.3 1 847 72 72 LYS H H 8.617 0.020 1 848 72 72 LYS HA H 4.207 0.020 1 849 72 72 LYS HB2 H 1.795 0.020 2 850 72 72 LYS HB3 H 1.710 0.020 2 851 72 72 LYS HG2 H 1.321 0.020 2 852 72 72 LYS HG3 H 1.401 0.020 2 853 72 72 LYS HD2 H 1.647 0.020 1 854 72 72 LYS HD3 H 1.647 0.020 1 855 72 72 LYS HE2 H 2.933 0.020 1 856 72 72 LYS HE3 H 2.933 0.020 1 857 72 72 LYS C C 174.871 0.3 1 858 72 72 LYS CA C 54.932 0.3 1 859 72 72 LYS CB C 29.777 0.3 1 860 72 72 LYS CG C 21.857 0.3 1 861 72 72 LYS CD C 26.522 0.3 1 862 72 72 LYS CE C 39.463 0.3 1 863 72 72 LYS N N 128.132 0.3 1 864 73 73 GLY H H 8.858 0.020 1 865 73 73 GLY HA2 H 4.142 0.020 2 866 73 73 GLY HA3 H 3.803 0.020 2 867 73 73 GLY C C 171.071 0.3 1 868 73 73 GLY CA C 43.606 0.3 1 869 73 73 GLY N N 113.270 0.3 1 870 74 74 LEU H H 7.421 0.020 1 871 74 74 LEU HA H 4.930 0.020 1 872 74 74 LEU HB2 H 1.852 0.020 2 873 74 74 LEU HB3 H 1.531 0.020 2 874 74 74 LEU HG H 1.876 0.020 1 875 74 74 LEU HD1 H 1.080 0.020 1 876 74 74 LEU HD2 H 1.075 0.020 1 877 74 74 LEU C C 173.034 0.3 1 878 74 74 LEU CA C 51.310 0.3 1 879 74 74 LEU CB C 42.454 0.3 1 880 74 74 LEU CG C 24.565 0.3 1 881 74 74 LEU CD1 C 22.870 0.3 1 882 74 74 LEU CD2 C 23.012 0.3 1 883 74 74 LEU N N 119.818 0.3 1 884 75 75 SER H H 8.965 0.020 1 885 75 75 SER HA H 4.681 0.020 1 886 75 75 SER HB2 H 3.880 0.020 2 887 75 75 SER HB3 H 3.808 0.020 2 888 75 75 SER C C 170.361 0.3 1 889 75 75 SER CA C 55.617 0.3 1 890 75 75 SER CB C 61.050 0.3 1 891 75 75 SER N N 119.707 0.3 1 892 76 76 PHE H H 8.069 0.020 1 893 76 76 PHE HA H 5.705 0.020 1 894 76 76 PHE HB2 H 3.036 0.020 2 895 76 76 PHE HB3 H 2.940 0.020 2 896 76 76 PHE HD1 H 7.052 0.020 1 897 76 76 PHE HD2 H 7.052 0.020 1 898 76 76 PHE HE1 H 7.418 0.020 1 899 76 76 PHE HE2 H 7.418 0.020 1 900 76 76 PHE HZ H 7.440 0.020 1 901 76 76 PHE C C 170.716 0.3 1 902 76 76 PHE CA C 53.118 0.3 1 903 76 76 PHE CB C 40.217 0.3 1 904 76 76 PHE CD2 C 130.268 0.3 1 905 76 76 PHE CE2 C 128.938 0.3 1 906 76 76 PHE CZ C 127.763 0.3 1 907 76 76 PHE N N 118.818 0.3 1 908 77 77 SER H H 8.976 0.020 1 909 77 77 SER HA H 4.735 0.020 1 910 77 77 SER HB2 H 3.792 0.020 1 911 77 77 SER HB3 H 3.792 0.020 1 912 77 77 SER CA C 53.572 0.3 1 913 77 77 SER CB C 63.312 0.3 1 914 77 77 SER N N 114.348 0.3 1 915 78 78 VAL H H 8.941 0.020 1 916 78 78 VAL HA H 4.235 0.020 1 917 78 78 VAL HB H 2.058 0.020 1 918 78 78 VAL HG1 H 0.772 0.020 1 919 78 78 VAL HG2 H 1.058 0.020 1 920 78 78 VAL C C 173.326 0.3 1 921 78 78 VAL CA C 59.921 0.3 1 922 78 78 VAL CB C 30.004 0.3 1 923 78 78 VAL CG1 C 18.599 0.3 1 924 78 78 VAL CG2 C 18.380 0.3 1 925 78 78 VAL N N 124.421 0.3 1 926 79 79 LYS H H 9.177 0.020 1 927 79 79 LYS HA H 4.398 0.020 1 928 79 79 LYS HB2 H 1.635 0.020 1 929 79 79 LYS HB3 H 1.635 0.020 1 930 79 79 LYS HG2 H 1.135 0.020 2 931 79 79 LYS HG3 H 1.195 0.020 2 932 79 79 LYS HD2 H 1.355 0.020 2 933 79 79 LYS HD3 H 1.475 0.020 2 934 79 79 LYS HE2 H 2.701 0.020 1 935 79 79 LYS HE3 H 2.701 0.020 1 936 79 79 LYS C C 173.702 0.3 1 937 79 79 LYS CA C 54.028 0.3 1 938 79 79 LYS CB C 30.010 0.3 1 939 79 79 LYS CG C 21.520 0.3 1 940 79 79 LYS CD C 25.552 0.3 1 941 79 79 LYS CE C 39.246 0.3 1 942 79 79 LYS N N 129.422 0.3 1 943 80 80 VAL H H 7.542 0.020 1 944 80 80 VAL HA H 4.261 0.020 1 945 80 80 VAL HB H 1.921 0.020 1 946 80 80 VAL HG1 H 0.782 0.020 1 947 80 80 VAL HG2 H 0.870 0.020 1 948 80 80 VAL CA C 58.560 0.3 1 949 80 80 VAL CB C 32.060 0.3 1 950 80 80 VAL CG1 C 17.570 0.3 1 951 80 80 VAL CG2 C 18.083 0.3 1 952 80 80 VAL N N 116.181 0.3 1 953 81 81 CYS H H 8.934 0.020 1 954 81 81 CYS HA H 4.683 0.020 1 955 81 81 CYS HB2 H 2.885 0.020 2 956 81 81 CYS HB3 H 2.510 0.020 2 957 81 81 CYS C C 169.797 0.3 1 958 81 81 CYS CA C 56.513 0.3 1 959 81 81 CYS CB C 25.931 0.3 1 960 81 81 CYS N N 126.647 0.3 1 961 82 82 GLY H H 8.044 0.020 1 962 82 82 GLY HA2 H 4.413 0.020 2 963 82 82 GLY HA3 H 3.906 0.020 2 964 82 82 GLY C C 168.878 0.3 1 965 82 82 GLY CA C 41.560 0.3 1 966 82 82 GLY N N 117.876 0.3 1 967 83 83 GLU H H 8.286 0.020 1 968 83 83 GLU HA H 3.968 0.020 1 969 83 83 GLU HB2 H 1.973 0.020 2 970 83 83 GLU HB3 H 1.899 0.020 2 971 83 83 GLU HG2 H 2.203 0.020 2 972 83 83 GLU HG3 H 2.089 0.020 2 973 83 83 GLU C C 175.936 0.3 1 974 83 83 GLU CA C 56.749 0.3 1 975 83 83 GLU CB C 28.196 0.3 1 976 83 83 GLU CG C 34.352 0.3 1 977 83 83 GLU N N 116.633 0.3 1 978 84 84 ARG H H 8.366 0.020 1 979 84 84 ARG HA H 4.848 0.020 1 980 84 84 ARG HB2 H 2.325 0.020 2 981 84 84 ARG HB3 H 1.855 0.020 2 982 84 84 ARG HG2 H 1.628 0.020 1 983 84 84 ARG HG3 H 1.628 0.020 1 984 84 84 ARG HD2 H 3.149 0.020 1 985 84 84 ARG HD3 H 3.149 0.020 1 986 84 84 ARG HE H 7.415 0.020 1 987 84 84 ARG C C 173.430 0.3 1 988 84 84 ARG CA C 51.314 0.3 1 989 84 84 ARG CB C 29.334 0.3 1 990 84 84 ARG CG C 24.298 0.3 1 991 84 84 ARG CD C 40.460 0.3 1 992 84 84 ARG N N 113.342 0.3 1 993 84 84 ARG NE N 86.144 0.3 1 994 85 85 LYS H H 6.794 0.020 1 995 85 85 LYS HA H 5.200 0.020 1 996 85 85 LYS HB2 H 1.574 0.020 2 997 85 85 LYS HB3 H 1.305 0.020 2 998 85 85 LYS HE2 H 1.990 0.020 1 999 85 85 LYS HE3 H 1.990 0.020 1 1000 85 85 LYS C C 172.031 0.3 1 1001 85 85 LYS CA C 52.900 0.3 1 1002 85 85 LYS CB C 32.729 0.3 1 1003 85 85 LYS CG C 23.185 0.3 1 1004 85 85 LYS N N 119.067 0.3 1 1005 86 86 CYS H H 9.257 0.020 1 1006 86 86 CYS HA H 4.926 0.020 1 1007 86 86 CYS HB2 H 3.146 0.020 2 1008 86 86 CYS HB3 H 2.683 0.020 2 1009 86 86 CYS C C 168.043 0.3 1 1010 86 86 CYS CA C 53.124 0.3 1 1011 86 86 CYS CB C 28.422 0.3 1 1012 86 86 CYS N N 127.355 0.3 1 1013 87 87 VAL H H 8.627 0.020 1 1014 87 87 VAL HA H 4.705 0.020 1 1015 87 87 VAL HB H 1.777 0.020 1 1016 87 87 VAL HG1 H 0.807 0.020 1 1017 87 87 VAL HG2 H 0.776 0.020 1 1018 87 87 VAL C C 171.864 0.3 1 1019 87 87 VAL CA C 59.016 0.3 1 1020 87 87 VAL CB C 31.144 0.3 1 1021 87 87 VAL CG1 C 17.441 0.3 1 1022 87 87 VAL CG2 C 16.858 0.3 1 1023 87 87 VAL N N 125.351 0.3 1 1024 88 88 LEU H H 9.566 0.020 1 1025 88 88 LEU HA H 5.324 0.020 1 1026 88 88 LEU HB2 H 1.794 0.020 2 1027 88 88 LEU HB3 H 1.440 0.020 2 1028 88 88 LEU HG H 1.682 0.020 1 1029 88 88 LEU HD1 H 0.470 0.020 1 1030 88 88 LEU HD2 H 0.745 0.020 1 1031 88 88 LEU C C 172.992 0.3 1 1032 88 88 LEU CA C 50.172 0.3 1 1033 88 88 LEU CB C 42.700 0.3 1 1034 88 88 LEU CG C 24.814 0.3 1 1035 88 88 LEU CD1 C 23.503 0.3 1 1036 88 88 LEU CD2 C 23.862 0.3 1 1037 88 88 LEU N N 127.342 0.3 1 1038 89 89 PHE H H 8.928 0.020 1 1039 89 89 PHE HA H 5.605 0.020 1 1040 89 89 PHE HB2 H 2.968 0.020 2 1041 89 89 PHE HB3 H 2.807 0.020 2 1042 89 89 PHE HD1 H 7.123 0.020 1 1043 89 89 PHE HD2 H 7.123 0.020 1 1044 89 89 PHE HE1 H 7.313 0.020 1 1045 89 89 PHE HE2 H 7.313 0.020 1 1046 89 89 PHE HZ H 7.232 0.020 1 1047 89 89 PHE C C 174.224 0.3 1 1048 89 89 PHE CA C 53.119 0.3 1 1049 89 89 PHE CB C 37.031 0.3 1 1050 89 89 PHE CD1 C 128.242 0.3 1 1051 89 89 PHE CE1 C 128.852 0.3 1 1052 89 89 PHE CZ C 127.241 0.3 1 1053 89 89 PHE N N 119.585 0.3 1 1054 90 90 ILE H H 9.351 0.020 1 1055 90 90 ILE HA H 5.129 0.020 1 1056 90 90 ILE HB H 1.856 0.020 1 1057 90 90 ILE HG12 H 1.754 0.020 2 1058 90 90 ILE HG13 H 1.073 0.020 2 1059 90 90 ILE HG2 H 0.861 0.020 1 1060 90 90 ILE HD1 H 0.736 0.020 1 1061 90 90 ILE C C 170.904 0.3 1 1062 90 90 ILE CA C 56.296 0.3 1 1063 90 90 ILE CB C 38.617 0.3 1 1064 90 90 ILE CG1 C 23.478 0.3 1 1065 90 90 ILE CG2 C 15.924 0.3 1 1066 90 90 ILE CD1 C 11.551 0.3 1 1067 90 90 ILE N N 118.580 0.3 1 1068 91 91 GLU H H 8.149 0.020 1 1069 91 91 GLU HA H 5.160 0.020 1 1070 91 91 GLU HB2 H 2.027 0.020 2 1071 91 91 GLU HB3 H 1.900 0.020 2 1072 91 91 GLU HG2 H 1.996 0.020 1 1073 91 91 GLU HG3 H 1.996 0.020 1 1074 91 91 GLU C C 172.867 0.3 1 1075 91 91 GLU CA C 52.217 0.3 1 1076 91 91 GLU CB C 27.975 0.3 1 1077 91 91 GLU CG C 33.700 0.3 1 1078 91 91 GLU N N 122.976 0.3 1 1079 92 92 TRP H H 9.313 0.020 1 1080 92 92 TRP HA H 4.850 0.020 1 1081 92 92 TRP HB2 H 3.277 0.020 2 1082 92 92 TRP HB3 H 2.874 0.020 2 1083 92 92 TRP HD1 H 6.981 0.020 1 1084 92 92 TRP HE1 H 9.677 0.020 1 1085 92 92 TRP HE3 H 7.381 0.020 1 1086 92 92 TRP HZ2 H 7.073 0.020 1 1087 92 92 TRP HZ3 H 6.376 0.020 1 1088 92 92 TRP HH2 H 6.678 0.020 1 1089 92 92 TRP C C 172.240 0.3 1 1090 92 92 TRP CA C 53.806 0.3 1 1091 92 92 TRP CB C 28.662 0.3 1 1092 92 92 TRP CD1 C 123.949 0.3 1 1093 92 92 TRP CE3 C 117.614 0.3 1 1094 92 92 TRP CZ2 C 111.759 0.3 1 1095 92 92 TRP CZ3 C 118.072 0.3 1 1096 92 92 TRP CH2 C 121.366 0.3 1 1097 92 92 TRP N N 126.743 0.3 1 1098 92 92 TRP NE1 N 128.478 0.3 1 1099 93 93 GLU H H 8.797 0.020 1 1100 93 93 GLU HA H 3.474 0.020 1 1101 93 93 GLU HB2 H 1.776 0.020 2 1102 93 93 GLU HB3 H 1.627 0.020 2 1103 93 93 GLU HG2 H 1.391 0.020 2 1104 93 93 GLU HG3 H 1.005 0.020 2 1105 93 93 GLU C C 172.908 0.3 1 1106 93 93 GLU CA C 54.477 0.3 1 1107 93 93 GLU CB C 24.124 0.3 1 1108 93 93 GLU CG C 32.633 0.3 1 1109 93 93 GLU N N 126.797 0.3 1 1110 94 94 LYS H H 8.537 0.020 1 1111 94 94 LYS HA H 3.698 0.020 1 1112 94 94 LYS HB2 H 2.092 0.020 2 1113 94 94 LYS HB3 H 1.953 0.020 2 1114 94 94 LYS HG2 H 1.283 0.020 2 1115 94 94 LYS HG3 H 1.252 0.020 2 1116 94 94 LYS HD2 H 1.558 0.020 2 1117 94 94 LYS HD3 H 1.620 0.020 2 1118 94 94 LYS HE2 H 2.892 0.020 1 1119 94 94 LYS HE3 H 2.892 0.020 1 1120 94 94 LYS C C 172.637 0.3 1 1121 94 94 LYS CA C 55.159 0.3 1 1122 94 94 LYS CB C 26.840 0.3 1 1123 94 94 LYS CG C 22.671 0.3 1 1124 94 94 LYS CD C 26.087 0.3 1 1125 94 94 LYS CE C 39.463 0.3 1 1126 94 94 LYS N N 108.122 0.3 1 1127 95 95 LYS H H 7.820 0.020 1 1128 95 95 LYS HA H 4.560 0.020 1 1129 95 95 LYS HB2 H 1.719 0.020 2 1130 95 95 LYS HB3 H 1.448 0.020 2 1131 95 95 LYS HG2 H 1.334 0.020 2 1132 95 95 LYS HG3 H 1.470 0.020 2 1133 95 95 LYS HD2 H 1.722 0.020 1 1134 95 95 LYS HD3 H 1.722 0.020 1 1135 95 95 LYS HE2 H 3.015 0.020 1 1136 95 95 LYS HE3 H 3.015 0.020 1 1137 95 95 LYS C C 171.572 0.3 1 1138 95 95 LYS CA C 51.985 0.3 1 1139 95 95 LYS CB C 32.730 0.3 1 1140 95 95 LYS CG C 22.623 0.3 1 1141 95 95 LYS CD C 25.980 0.3 1 1142 95 95 LYS CE C 39.681 0.3 1 1143 95 95 LYS N N 120.999 0.3 1 1144 96 96 THR H H 7.781 0.020 1 1145 96 96 THR HA H 5.254 0.020 1 1146 96 96 THR HB H 3.666 0.020 1 1147 96 96 THR HG2 H 1.026 0.020 1 1148 96 96 THR C C 171.518 0.3 1 1149 96 96 THR CA C 58.781 0.3 1 1150 96 96 THR CB C 67.391 0.3 1 1151 96 96 THR CG2 C 19.456 0.3 1 1152 96 96 THR N N 115.342 0.3 1 1153 97 97 TYR H H 9.020 0.020 1 1154 97 97 TYR HA H 4.760 0.020 1 1155 97 97 TYR HB2 H 2.919 0.020 2 1156 97 97 TYR HB3 H 2.297 0.020 2 1157 97 97 TYR HD1 H 6.979 0.020 1 1158 97 97 TYR HD2 H 6.979 0.020 1 1159 97 97 TYR HE1 H 6.762 0.020 1 1160 97 97 TYR HE2 H 6.762 0.020 1 1161 97 97 TYR C C 170.444 0.3 1 1162 97 97 TYR CA C 53.354 0.3 1 1163 97 97 TYR CB C 39.756 0.3 1 1164 97 97 TYR CD1 C 130.278 0.3 1 1165 97 97 TYR CE1 C 115.451 0.3 1 1166 97 97 TYR N N 123.430 0.3 1 1167 98 98 GLN H H 8.695 0.020 1 1168 98 98 GLN HA H 4.656 0.020 1 1169 98 98 GLN HB2 H 2.020 0.020 2 1170 98 98 GLN HB3 H 1.890 0.020 2 1171 98 98 GLN HG2 H 2.205 0.020 1 1172 98 98 GLN HG3 H 2.205 0.020 1 1173 98 98 GLN C C 169.901 0.3 1 1174 98 98 GLN CA C 52.894 0.3 1 1175 98 98 GLN CB C 27.974 0.3 1 1176 98 98 GLN CG C 33.518 0.3 1 1177 98 98 GLN N N 122.635 0.3 1 1178 99 99 LEU H H 9.206 0.020 1 1179 99 99 LEU HA H 4.959 0.020 1 1180 99 99 LEU HB2 H 1.679 0.020 1 1181 99 99 LEU HB3 H 1.679 0.020 1 1182 99 99 LEU HG H 1.219 0.020 1 1183 99 99 LEU HD1 H 0.640 0.020 1 1184 99 99 LEU HD2 H 0.575 0.020 1 1185 99 99 LEU C C 169.895 0.3 1 1186 99 99 LEU CA C 50.180 0.3 1 1187 99 99 LEU CB C 43.146 0.3 1 1188 99 99 LEU CG C 24.934 0.3 1 1189 99 99 LEU CD1 C 21.184 0.3 1 1190 99 99 LEU CD2 C 24.309 0.3 1 1191 99 99 LEU N N 130.510 0.3 1 1192 100 100 ASP H H 9.060 0.020 1 1193 100 100 ASP HA H 5.105 0.020 1 1194 100 100 ASP HB2 H 3.089 0.020 2 1195 100 100 ASP HB3 H 2.024 0.020 2 1196 100 100 ASP CA C 49.501 0.3 1 1197 100 100 ASP CB C 39.994 0.3 1 1198 100 100 ASP N N 129.093 0.3 1 1199 101 101 LEU H H 8.536 0.020 1 1200 101 101 LEU HA H 5.192 0.020 1 1201 101 101 LEU HB2 H 1.729 0.020 2 1202 101 101 LEU HB3 H 0.934 0.020 2 1203 101 101 LEU HG H 0.682 0.020 1 1204 101 101 LEU HD1 H 0.585 0.020 1 1205 101 101 LEU HD2 H 0.650 0.020 1 1206 101 101 LEU C C 171.718 0.3 1 1207 101 101 LEU CA C 49.501 0.3 1 1208 101 101 LEU CB C 42.006 0.3 1 1209 101 101 LEU CG C 23.695 0.3 1 1210 101 101 LEU CD1 C 24.113 0.3 1 1211 101 101 LEU CD2 C 21.184 0.3 1 1212 101 101 LEU N N 119.756 0.3 1 1213 102 102 PHE H H 8.733 0.020 1 1214 102 102 PHE HA H 5.324 0.020 1 1215 102 102 PHE HB2 H 2.424 0.020 2 1216 102 102 PHE HB3 H 2.171 0.020 2 1217 102 102 PHE HD1 H 6.758 0.020 1 1218 102 102 PHE HD2 H 6.758 0.020 1 1219 102 102 PHE HE1 H 7.130 0.020 1 1220 102 102 PHE HE2 H 7.130 0.020 1 1221 102 102 PHE HZ H 7.323 0.020 1 1222 102 102 PHE CA C 52.215 0.3 1 1223 102 102 PHE CB C 39.528 0.3 1 1224 102 102 PHE CD1 C 130.012 0.3 1 1225 102 102 PHE CE1 C 127.981 0.3 1 1226 102 102 PHE CZ C 125.893 0.3 1 1227 102 102 PHE N N 119.803 0.3 1 1228 103 103 THR H H 7.940 0.020 1 1229 103 103 THR HA H 5.646 0.020 1 1230 103 103 THR HB H 3.867 0.020 1 1231 103 103 THR HG2 H 0.976 0.020 1 1232 103 103 THR C C 172.052 0.3 1 1233 103 103 THR CA C 55.611 0.3 1 1234 103 103 THR CB C 69.217 0.3 1 1235 103 103 THR CG2 C 20.592 0.3 1 1236 103 103 THR N N 107.681 0.3 1 1237 104 104 ALA H H 8.651 0.020 1 1238 104 104 ALA HA H 4.573 0.020 1 1239 104 104 ALA HB H 1.368 0.020 1 1240 104 104 ALA C C 172.992 0.3 1 1241 104 104 ALA CA C 47.683 0.3 1 1242 104 104 ALA CB C 20.951 0.3 1 1243 104 104 ALA N N 121.958 0.3 1 1244 105 105 LEU H H 8.351 0.020 1 1245 105 105 LEU HA H 4.934 0.020 1 1246 105 105 LEU HB2 H 1.964 0.020 2 1247 105 105 LEU HB3 H 1.387 0.020 2 1248 105 105 LEU HG H 1.701 0.020 1 1249 105 105 LEU HD1 H 0.959 0.020 1 1250 105 105 LEU HD2 H 0.865 0.020 1 1251 105 105 LEU C C 172.031 0.3 1 1252 105 105 LEU CA C 50.859 0.3 1 1253 105 105 LEU CB C 40.201 0.3 1 1254 105 105 LEU CG C 24.674 0.3 1 1255 105 105 LEU CD1 C 22.953 0.3 1 1256 105 105 LEU CD2 C 20.729 0.3 1 1257 105 105 LEU N N 120.296 0.3 1 1258 106 106 ALA H H 8.068 0.020 1 1259 106 106 ALA HA H 3.827 0.020 1 1260 106 106 ALA HB H 1.453 0.020 1 1261 106 106 ALA C C 178.338 0.3 1 1262 106 106 ALA CA C 54.032 0.3 1 1263 106 106 ALA CB C 15.507 0.3 1 1264 106 106 ALA N N 124.152 0.3 1 1265 107 107 GLU H H 9.664 0.020 1 1266 107 107 GLU HA H 4.261 0.020 1 1267 107 107 GLU HB2 H 2.182 0.020 1 1268 107 107 GLU HB3 H 2.182 0.020 1 1269 107 107 GLU HG2 H 2.376 0.020 1 1270 107 107 GLU HG3 H 2.376 0.020 1 1271 107 107 GLU C C 174.892 0.3 1 1272 107 107 GLU CA C 56.292 0.3 1 1273 107 107 GLU CB C 26.159 0.3 1 1274 107 107 GLU CG C 33.690 0.3 1 1275 107 107 GLU N N 115.897 0.3 1 1276 108 108 GLU H H 7.632 0.020 1 1277 108 108 GLU HA H 4.512 0.020 1 1278 108 108 GLU HB2 H 2.707 0.020 1 1279 108 108 GLU HB3 H 2.707 0.020 1 1280 108 108 GLU HG2 H 2.760 0.020 1 1281 108 108 GLU HG3 H 2.760 0.020 1 1282 108 108 GLU CA C 52.671 0.3 1 1283 108 108 GLU CB C 27.747 0.3 1 1284 108 108 GLU CG C 32.954 0.3 1 1285 108 108 GLU N N 115.684 0.3 1 1286 109 109 LYS H H 7.552 0.020 1 1287 109 109 LYS HA H 3.843 0.020 1 1288 109 109 LYS HB2 H 2.175 0.020 1 1289 109 109 LYS HB3 H 2.175 0.020 1 1290 109 109 LYS HG2 H 1.908 0.020 1 1291 109 109 LYS HG3 H 1.908 0.020 1 1292 109 109 LYS C C 169.839 0.3 1 1293 109 109 LYS CA C 60.592 0.3 1 1294 109 109 LYS CB C 28.655 0.3 1 1295 109 109 LYS N N 119.324 0.3 1 1296 110 110 PRO HA H 3.925 0.020 1 1297 110 110 PRO HB2 H 1.495 0.020 2 1298 110 110 PRO HB3 H 0.900 0.020 2 1299 110 110 PRO HG2 H 1.345 0.020 1 1300 110 110 PRO HG3 H 1.345 0.020 1 1301 110 110 PRO C C 174.285 0.3 1 1302 110 110 PRO CA C 63.998 0.3 1 1303 110 110 PRO CB C 27.747 0.3 1 1304 111 111 TYR H H 6.388 0.020 1 1305 111 111 TYR HA H 3.830 0.020 1 1306 111 111 TYR HB2 H 3.436 0.020 2 1307 111 111 TYR HB3 H 2.846 0.020 2 1308 111 111 TYR HD1 H 6.924 0.020 1 1309 111 111 TYR HD2 H 6.924 0.020 1 1310 111 111 TYR HE1 H 6.735 0.020 1 1311 111 111 TYR HE2 H 6.735 0.020 1 1312 111 111 TYR C C 176.584 0.3 1 1313 111 111 TYR CA C 56.745 0.3 1 1314 111 111 TYR CB C 33.638 0.3 1 1315 111 111 TYR CD1 C 130.057 0.3 1 1316 111 111 TYR CE1 C 116.928 0.3 1 1317 111 111 TYR N N 114.378 0.3 1 1318 112 112 ALA H H 8.620 0.020 1 1319 112 112 ALA HA H 3.899 0.020 1 1320 112 112 ALA HB H 1.605 0.020 1 1321 112 112 ALA C C 176.208 0.3 1 1322 112 112 ALA CA C 52.667 0.3 1 1323 112 112 ALA CB C 16.420 0.3 1 1324 112 112 ALA N N 124.190 0.3 1 1325 113 113 ILE H H 8.640 0.020 1 1326 113 113 ILE HA H 3.326 0.020 1 1327 113 113 ILE HB H 1.655 0.020 1 1328 113 113 ILE HG12 H 1.814 0.020 2 1329 113 113 ILE HG13 H 0.620 0.020 2 1330 113 113 ILE HG2 H 0.791 0.020 1 1331 113 113 ILE HD1 H 0.836 0.020 1 1332 113 113 ILE C C 175.477 0.3 1 1333 113 113 ILE CA C 64.221 0.3 1 1334 113 113 ILE CB C 35.664 0.3 1 1335 113 113 ILE CG1 C 27.827 0.3 1 1336 113 113 ILE CG2 C 13.777 0.3 1 1337 113 113 ILE CD1 C 12.215 0.3 1 1338 113 113 ILE N N 118.663 0.3 1 1339 114 114 PHE H H 7.777 0.020 1 1340 114 114 PHE HA H 4.550 0.020 1 1341 114 114 PHE HB2 H 3.297 0.020 2 1342 114 114 PHE HB3 H 2.940 0.020 2 1343 114 114 PHE HD1 H 7.264 0.020 1 1344 114 114 PHE HD2 H 7.264 0.020 1 1345 114 114 PHE HE1 H 7.122 0.020 1 1346 114 114 PHE HE2 H 7.122 0.020 1 1347 114 114 PHE HZ H 7.096 0.020 1 1348 114 114 PHE C C 175.372 0.3 1 1349 114 114 PHE CA C 59.451 0.3 1 1350 114 114 PHE CB C 37.723 0.3 1 1351 114 114 PHE CD1 C 128.921 0.3 1 1352 114 114 PHE CE1 C 128.547 0.3 1 1353 114 114 PHE CZ C 126.548 0.3 1 1354 114 114 PHE N N 121.946 0.3 1 1355 115 115 HIS H H 8.276 0.020 1 1356 115 115 HIS HA H 3.920 0.020 1 1357 115 115 HIS HB2 H 2.850 0.020 1 1358 115 115 HIS HB3 H 2.850 0.020 1 1359 115 115 HIS HD2 H 7.020 0.020 1 1360 115 115 HIS HE1 H 7.581 0.020 1 1361 115 115 HIS C C 174.328 0.3 1 1362 115 115 HIS CA C 57.425 0.3 1 1363 115 115 HIS CB C 30.010 0.3 1 1364 115 115 HIS CD2 C 117.852 0.3 1 1365 115 115 HIS CE1 C 136.134 0.3 1 1366 115 115 HIS N N 118.270 0.3 1 1367 116 116 PHE H H 8.614 0.020 1 1368 116 116 PHE HA H 4.440 0.020 1 1369 116 116 PHE HB2 H 2.857 0.020 2 1370 116 116 PHE HB3 H 2.545 0.020 2 1371 116 116 PHE HD1 H 6.978 0.020 1 1372 116 116 PHE HD2 H 6.978 0.020 1 1373 116 116 PHE HE1 H 6.967 0.020 1 1374 116 116 PHE HE2 H 6.967 0.020 1 1375 116 116 PHE HZ H 7.034 0.020 1 1376 116 116 PHE C C 174.850 0.3 1 1377 116 116 PHE CA C 57.199 0.3 1 1378 116 116 PHE CB C 34.997 0.3 1 1379 116 116 PHE CD1 C 130.765 0.3 1 1380 116 116 PHE CE1 C 127.992 0.3 1 1381 116 116 PHE CZ C 126.850 0.3 1 1382 116 116 PHE N N 109.884 0.3 1 1383 117 117 THR H H 7.623 0.020 1 1384 117 117 THR HA H 4.309 0.020 1 1385 117 117 THR HB H 3.979 0.020 1 1386 117 117 THR HG2 H 1.044 0.020 1 1387 117 117 THR CA C 64.224 0.3 1 1388 117 117 THR CB C 65.341 0.3 1 1389 117 117 THR CG2 C 18.286 0.3 1 1390 117 117 THR N N 116.995 0.3 1 1391 118 118 GLY H H 6.897 0.020 1 1392 118 118 GLY HA2 H 3.026 0.020 2 1393 118 118 GLY HA3 H 3.351 0.020 2 1394 118 118 GLY C C 167.625 0.3 1 1395 118 118 GLY CA C 41.569 0.3 1 1396 118 118 GLY N N 106.807 0.3 1 1397 119 119 PRO HA H 4.668 0.020 1 1398 119 119 PRO HB2 H 2.390 0.020 2 1399 119 119 PRO HB3 H 2.130 0.020 2 1400 119 119 PRO HG2 H 1.900 0.020 1 1401 119 119 PRO HG3 H 1.900 0.020 1 1402 119 119 PRO HD2 H 4.284 0.020 1 1403 119 119 PRO HD3 H 4.284 0.020 1 1404 119 119 PRO C C 174.690 0.3 1 1405 119 119 PRO CA C 60.373 0.3 1 1406 119 119 PRO CB C 32.051 0.3 1 1407 119 119 PRO CG C 26.353 0.3 1 1408 119 119 PRO CD C 53.341 0.3 1 1409 120 120 VAL H H 9.418 0.020 1 1410 120 120 VAL HA H 3.025 0.020 1 1411 120 120 VAL HB H 1.615 0.020 1 1412 120 120 VAL HG1 H 0.714 0.020 1 1413 120 120 VAL HG2 H 0.408 0.020 1 1414 120 120 VAL C C 174.670 0.3 1 1415 120 120 VAL CA C 64.901 0.3 1 1416 120 120 VAL CB C 28.422 0.3 1 1417 120 120 VAL CG1 C 17.805 0.3 1 1418 120 120 VAL CG2 C 19.281 0.3 1 1419 120 120 VAL N N 122.263 0.3 1 1420 121 121 SER H H 8.380 0.020 1 1421 121 121 SER HA H 3.815 0.020 1 1422 121 121 SER HB2 H 3.784 0.020 1 1423 121 121 SER HB3 H 3.784 0.020 1 1424 121 121 SER CA C 58.791 0.3 1 1425 121 121 SER CB C 58.548 0.3 1 1426 121 121 SER N N 113.164 0.3 1 1427 122 122 TYR H H 6.441 0.020 1 1428 122 122 TYR HA H 4.177 0.020 1 1429 122 122 TYR HB2 H 2.595 0.020 2 1430 122 122 TYR HB3 H 2.473 0.020 2 1431 122 122 TYR HD1 H 6.771 0.020 1 1432 122 122 TYR HD2 H 6.771 0.020 1 1433 122 122 TYR HE1 H 6.709 0.020 1 1434 122 122 TYR HE2 H 6.709 0.020 1 1435 122 122 TYR C C 173.262 0.3 1 1436 122 122 TYR CA C 56.524 0.3 1 1437 122 122 TYR CB C 36.811 0.3 1 1438 122 122 TYR CD2 C 130.469 0.3 1 1439 122 122 TYR CE2 C 115.739 0.3 1 1440 122 122 TYR N N 124.525 0.3 1 1441 123 123 LEU H H 7.416 0.020 1 1442 123 123 LEU HA H 3.506 0.020 1 1443 123 123 LEU HB2 H 1.649 0.020 1 1444 123 123 LEU HB3 H 1.649 0.020 1 1445 123 123 LEU HG H 1.309 0.020 1 1446 123 123 LEU HD1 H 0.455 0.020 1 1447 123 123 LEU HD2 H 0.354 0.020 1 1448 123 123 LEU C C 176.772 0.3 1 1449 123 123 LEU CA C 54.702 0.3 1 1450 123 123 LEU CB C 37.952 0.3 1 1451 123 123 LEU CG C 23.180 0.3 1 1452 123 123 LEU CD1 C 23.183 0.3 1 1453 123 123 LEU CD2 C 18.549 0.3 1 1454 123 123 LEU N N 117.017 0.3 1 1455 124 124 ILE H H 8.440 0.020 1 1456 124 124 ILE HA H 3.502 0.020 1 1457 124 124 ILE HB H 1.731 0.020 1 1458 124 124 ILE HG12 H 1.587 0.020 2 1459 124 124 ILE HG13 H 1.032 0.020 2 1460 124 124 ILE HG2 H 0.830 0.020 1 1461 124 124 ILE HD1 H 0.709 0.020 1 1462 124 124 ILE C C 175.957 0.3 1 1463 124 124 ILE CA C 62.871 0.3 1 1464 124 124 ILE CB C 35.225 0.3 1 1465 124 124 ILE CG1 C 26.522 0.3 1 1466 124 124 ILE CG2 C 14.153 0.3 1 1467 124 124 ILE CD1 C 10.744 0.3 1 1468 124 124 ILE N N 117.820 0.3 1 1469 125 125 ARG H H 7.086 0.020 1 1470 125 125 ARG HA H 4.103 0.020 1 1471 125 125 ARG HB2 H 1.861 0.020 1 1472 125 125 ARG HB3 H 1.861 0.020 1 1473 125 125 ARG HG2 H 1.555 0.020 2 1474 125 125 ARG HG3 H 1.737 0.020 2 1475 125 125 ARG HD2 H 3.215 0.020 1 1476 125 125 ARG HD3 H 3.215 0.020 1 1477 125 125 ARG HE H 7.441 0.020 1 1478 125 125 ARG C C 176.813 0.3 1 1479 125 125 ARG CA C 56.973 0.3 1 1480 125 125 ARG CB C 27.288 0.3 1 1481 125 125 ARG CG C 24.990 0.3 1 1482 125 125 ARG CD C 40.768 0.3 1 1483 125 125 ARG N N 120.740 0.3 1 1484 125 125 ARG NE N 84.714 0.3 1 1485 126 126 ILE H H 7.811 0.020 1 1486 126 126 ILE HA H 3.413 0.020 1 1487 126 126 ILE HB H 1.691 0.020 1 1488 126 126 ILE HG12 H 0.425 0.020 2 1489 126 126 ILE HG13 H 0.480 0.020 2 1490 126 126 ILE HG2 H 0.492 0.020 1 1491 126 126 ILE HD1 H -0.253 0.020 1 1492 126 126 ILE C C 171.718 0.3 1 1493 126 126 ILE CA C 59.917 0.3 1 1494 126 126 ILE CB C 33.627 0.3 1 1495 126 126 ILE CG1 C 24.130 0.3 1 1496 126 126 ILE CG2 C 14.635 0.3 1 1497 126 126 ILE CD1 C 6.624 0.3 1 1498 126 126 ILE N N 122.126 0.3 1 1499 127 127 ARG H H 8.807 0.020 1 1500 127 127 ARG HA H 3.913 0.020 1 1501 127 127 ARG HB2 H 1.908 0.020 1 1502 127 127 ARG HB3 H 1.908 0.020 1 1503 127 127 ARG HG2 H 1.733 0.020 1 1504 127 127 ARG HG3 H 1.733 0.020 1 1505 127 127 ARG HD2 H 1.779 0.020 1 1506 127 127 ARG HD3 H 1.779 0.020 1 1507 127 127 ARG C C 177.001 0.3 1 1508 127 127 ARG CA C 57.659 0.3 1 1509 127 127 ARG CB C 27.521 0.3 1 1510 127 127 ARG CG C 26.496 0.3 1 1511 127 127 ARG N N 119.063 0.3 1 1512 128 128 ALA H H 7.987 0.020 1 1513 128 128 ALA HA H 4.182 0.020 1 1514 128 128 ALA HB H 1.521 0.020 1 1515 128 128 ALA C C 177.502 0.3 1 1516 128 128 ALA CA C 52.443 0.3 1 1517 128 128 ALA CB C 15.059 0.3 1 1518 128 128 ALA N N 122.268 0.3 1 1519 129 129 ALA H H 7.528 0.020 1 1520 129 129 ALA HA H 4.265 0.020 1 1521 129 129 ALA HB H 1.736 0.020 1 1522 129 129 ALA C C 178.735 0.3 1 1523 129 129 ALA CA C 52.226 0.3 1 1524 129 129 ALA CB C 15.512 0.3 1 1525 129 129 ALA N N 121.273 0.3 1 1526 130 130 LEU H H 8.388 0.020 1 1527 130 130 LEU HA H 4.205 0.020 1 1528 130 130 LEU HB2 H 1.650 0.020 1 1529 130 130 LEU HB3 H 1.650 0.020 1 1530 130 130 LEU HG H 1.955 0.020 1 1531 130 130 LEU HD1 H 0.905 0.020 1 1532 130 130 LEU HD2 H 0.978 0.020 1 1533 130 130 LEU C C 177.106 0.3 1 1534 130 130 LEU CA C 54.709 0.3 1 1535 130 130 LEU CB C 38.618 0.3 1 1536 130 130 LEU CG C 24.565 0.3 1 1537 130 130 LEU CD1 C 25.423 0.3 1 1538 130 130 LEU CD2 C 20.444 0.3 1 1539 130 130 LEU N N 118.557 0.3 1 1540 131 131 LYS H H 8.325 0.020 1 1541 131 131 LYS HA H 4.271 0.020 1 1542 131 131 LYS HB2 H 2.104 0.020 2 1543 131 131 LYS HB3 H 2.002 0.020 2 1544 131 131 LYS HG2 H 1.602 0.020 2 1545 131 131 LYS HG3 H 1.544 0.020 2 1546 131 131 LYS HD2 H 1.728 0.020 2 1547 131 131 LYS HD3 H 1.776 0.020 2 1548 131 131 LYS HE2 H 2.994 0.020 1 1549 131 131 LYS HE3 H 2.994 0.020 1 1550 131 131 LYS C C 177.440 0.3 1 1551 131 131 LYS CA C 56.753 0.3 1 1552 131 131 LYS CB C 29.557 0.3 1 1553 131 131 LYS CG C 22.403 0.3 1 1554 131 131 LYS CD C 26.740 0.3 1 1555 131 131 LYS CE C 39.572 0.3 1 1556 131 131 LYS N N 121.673 0.3 1 1557 132 132 LYS H H 7.342 0.020 1 1558 132 132 LYS HA H 4.158 0.020 1 1559 132 132 LYS HB2 H 1.982 0.020 1 1560 132 132 LYS HB3 H 1.982 0.020 1 1561 132 132 LYS HG2 H 1.563 0.020 2 1562 132 132 LYS HG3 H 1.720 0.020 2 1563 132 132 LYS HD2 H 1.770 0.020 1 1564 132 132 LYS HD3 H 1.770 0.020 1 1565 132 132 LYS HE2 H 3.025 0.020 1 1566 132 132 LYS HE3 H 3.025 0.020 1 1567 132 132 LYS C C 174.642 0.3 1 1568 132 132 LYS CA C 56.065 0.3 1 1569 132 132 LYS CB C 29.557 0.3 1 1570 132 132 LYS CG C 22.716 0.3 1 1571 132 132 LYS CD C 26.522 0.3 1 1572 132 132 LYS CE C 39.463 0.3 1 1573 132 132 LYS N N 117.933 0.3 1 1574 133 133 LYS H H 7.373 0.020 1 1575 133 133 LYS HA H 4.417 0.020 1 1576 133 133 LYS HB2 H 1.685 0.020 1 1577 133 133 LYS HB3 H 1.685 0.020 1 1578 133 133 LYS HG2 H 1.386 0.020 2 1579 133 133 LYS HG3 H 1.456 0.020 2 1580 133 133 LYS HD2 H 1.689 0.020 1 1581 133 133 LYS HD3 H 1.689 0.020 1 1582 133 133 LYS HE2 H 2.933 0.020 1 1583 133 133 LYS HE3 H 2.933 0.020 1 1584 133 133 LYS C C 171.781 0.3 1 1585 133 133 LYS CA C 52.443 0.3 1 1586 133 133 LYS CB C 30.465 0.3 1 1587 133 133 LYS CG C 22.611 0.3 1 1588 133 133 LYS CD C 26.849 0.3 1 1589 133 133 LYS CE C 39.463 0.3 1 1590 133 133 LYS N N 116.405 0.3 1 1591 134 134 ASN H H 7.969 0.020 1 1592 134 134 ASN HA H 4.339 0.020 1 1593 134 134 ASN HB2 H 3.110 0.020 2 1594 134 134 ASN HB3 H 2.750 0.020 2 1595 134 134 ASN HD21 H 6.825 0.020 1 1596 134 134 ASN HD22 H 7.437 0.020 1 1597 134 134 ASN C C 171.133 0.3 1 1598 134 134 ASN CA C 51.993 0.3 1 1599 134 134 ASN CB C 34.091 0.3 1 1600 134 134 ASN N N 112.355 0.3 1 1601 134 134 ASN ND2 N 112.072 0.3 1 1602 135 135 TYR H H 7.748 0.020 1 1603 135 135 TYR HA H 5.705 0.020 1 1604 135 135 TYR HB2 H 2.879 0.020 1 1605 135 135 TYR HB3 H 2.879 0.020 1 1606 135 135 TYR HD1 H 6.970 0.020 1 1607 135 135 TYR HD2 H 6.970 0.020 1 1608 135 135 TYR HE1 H 6.551 0.020 1 1609 135 135 TYR HE2 H 6.551 0.020 1 1610 135 135 TYR C C 173.556 0.3 1 1611 135 135 TYR CA C 53.351 0.3 1 1612 135 135 TYR CB C 39.756 0.3 1 1613 135 135 TYR CD1 C 130.653 0.3 1 1614 135 135 TYR CE1 C 116.196 0.3 1 1615 135 135 TYR N N 114.995 0.3 1 1616 136 136 LYS H H 9.319 0.020 1 1617 136 136 LYS HA H 4.636 0.020 1 1618 136 136 LYS HB2 H 1.765 0.020 2 1619 136 136 LYS HB3 H 1.705 0.020 2 1620 136 136 LYS HG2 H 1.475 0.020 2 1621 136 136 LYS HG3 H 1.210 0.020 2 1622 136 136 LYS HD2 H 1.560 0.020 1 1623 136 136 LYS HD3 H 1.560 0.020 1 1624 136 136 LYS HE2 H 2.785 0.020 2 1625 136 136 LYS HE3 H 2.720 0.020 2 1626 136 136 LYS C C 170.632 0.3 1 1627 136 136 LYS CA C 52.452 0.3 1 1628 136 136 LYS CB C 33.182 0.3 1 1629 136 136 LYS CG C 22.408 0.3 1 1630 136 136 LYS CD C 26.522 0.3 1 1631 136 136 LYS CE C 39.246 0.3 1 1632 136 136 LYS N N 121.899 0.3 1 1633 137 137 LEU H H 8.856 0.020 1 1634 137 137 LEU HA H 5.372 0.020 1 1635 137 137 LEU HB2 H 1.712 0.020 2 1636 137 137 LEU HB3 H 1.238 0.020 2 1637 137 137 LEU HG H 1.643 0.020 1 1638 137 137 LEU HD1 H 1.165 0.020 1 1639 137 137 LEU HD2 H 0.842 0.020 1 1640 137 137 LEU C C 172.679 0.3 1 1641 137 137 LEU CA C 50.631 0.3 1 1642 137 137 LEU CB C 44.069 0.3 1 1643 137 137 LEU CG C 24.490 0.3 1 1644 137 137 LEU CD1 C 21.138 0.3 1 1645 137 137 LEU CD2 C 24.488 0.3 1 1646 137 137 LEU N N 126.698 0.3 1 1647 138 138 ASN H H 8.856 0.020 1 1648 138 138 ASN HA H 4.750 0.020 1 1649 138 138 ASN HB2 H 2.995 0.020 2 1650 138 138 ASN HB3 H 2.899 0.020 2 1651 138 138 ASN HD21 H 6.919 0.020 1 1652 138 138 ASN HD22 H 7.620 0.020 1 1653 138 138 ASN C C 172.198 0.3 1 1654 138 138 ASN CA C 49.727 0.3 1 1655 138 138 ASN CB C 35.446 0.3 1 1656 138 138 ASN N N 125.299 0.3 1 1657 138 138 ASN ND2 N 112.978 0.3 1 1658 139 139 GLN H H 9.317 0.020 1 1659 139 139 GLN HA H 3.538 0.020 1 1660 139 139 GLN HB2 H 1.440 0.020 1 1661 139 139 GLN HB3 H 1.440 0.020 1 1662 139 139 GLN HG2 H 1.957 0.020 1 1663 139 139 GLN HG3 H 1.957 0.020 1 1664 139 139 GLN C C 171.363 0.3 1 1665 139 139 GLN CA C 54.480 0.3 1 1666 139 139 GLN CB C 23.668 0.3 1 1667 139 139 GLN CG C 33.020 0.3 1 1668 139 139 GLN N N 116.462 0.3 1 1669 140 140 TYR H H 8.590 0.020 1 1670 140 140 TYR HA H 4.507 0.020 1 1671 140 140 TYR HB2 H 3.300 0.020 2 1672 140 140 TYR HB3 H 2.901 0.020 2 1673 140 140 TYR HD1 H 6.945 0.020 1 1674 140 140 TYR HD2 H 6.945 0.020 1 1675 140 140 TYR HE1 H 6.549 0.020 1 1676 140 140 TYR HE2 H 6.549 0.020 1 1677 140 140 TYR CA C 54.480 0.3 1 1678 140 140 TYR CB C 35.452 0.3 1 1679 140 140 TYR CD1 C 130.744 0.3 1 1680 140 140 TYR CE1 C 115.510 0.3 1 1681 140 140 TYR N N 120.138 0.3 1 1682 141 141 GLY H H 7.236 0.020 1 1683 141 141 GLY HA2 H 3.111 0.020 2 1684 141 141 GLY HA3 H 1.495 0.020 2 1685 141 141 GLY C C 165.370 0.3 1 1686 141 141 GLY CA C 41.566 0.3 1 1687 141 141 GLY N N 105.529 0.3 1 1688 142 142 LEU H H 7.516 0.020 1 1689 142 142 LEU HA H 4.947 0.020 1 1690 142 142 LEU HB2 H 1.852 0.020 2 1691 142 142 LEU HB3 H 1.028 0.020 2 1692 142 142 LEU HG H 1.243 0.020 1 1693 142 142 LEU HD1 H 0.830 0.020 1 1694 142 142 LEU HD2 H 0.505 0.020 1 1695 142 142 LEU C C 169.860 0.3 1 1696 142 142 LEU CA C 50.180 0.3 1 1697 142 142 LEU CB C 42.700 0.3 1 1698 142 142 LEU CG C 24.782 0.3 1 1699 142 142 LEU CD1 C 21.614 0.3 1 1700 142 142 LEU CD2 C 23.612 0.3 1 1701 142 142 LEU N N 119.237 0.3 1 1702 143 143 PHE H H 9.403 0.020 1 1703 143 143 PHE HA H 5.096 0.020 1 1704 143 143 PHE HB2 H 2.722 0.020 2 1705 143 143 PHE HB3 H 2.508 0.020 2 1706 143 143 PHE HD1 H 6.736 0.020 1 1707 143 143 PHE HD2 H 6.736 0.020 1 1708 143 143 PHE HE1 H 7.158 0.020 1 1709 143 143 PHE HE2 H 7.158 0.020 1 1710 143 143 PHE HZ H 7.220 0.020 1 1711 143 143 PHE C C 172.470 0.3 1 1712 143 143 PHE CA C 53.571 0.3 1 1713 143 143 PHE CB C 40.430 0.3 1 1714 143 143 PHE CD1 C 129.344 0.3 1 1715 143 143 PHE CE1 C 128.808 0.3 1 1716 143 143 PHE CZ C 127.028 0.3 1 1717 143 143 PHE N N 122.506 0.3 1 1718 144 144 LYS H H 8.931 0.020 1 1719 144 144 LYS HA H 4.683 0.020 1 1720 144 144 LYS HB2 H 1.440 0.020 1 1721 144 144 LYS HB3 H 1.440 0.020 1 1722 144 144 LYS HG2 H 1.135 0.020 2 1723 144 144 LYS HG3 H 1.160 0.020 2 1724 144 144 LYS HD2 H 1.440 0.020 1 1725 144 144 LYS HD3 H 1.440 0.020 1 1726 144 144 LYS HE2 H 2.781 0.020 1 1727 144 144 LYS HE3 H 2.781 0.020 1 1728 144 144 LYS C C 174.224 0.3 1 1729 144 144 LYS CA C 52.670 0.3 1 1730 144 144 LYS CB C 31.598 0.3 1 1731 144 144 LYS CG C 21.969 0.3 1 1732 144 144 LYS CD C 26.522 0.3 1 1733 144 144 LYS CE C 39.463 0.3 1 1734 144 144 LYS N N 122.899 0.3 1 1735 145 145 ASN H H 9.225 0.020 1 1736 145 145 ASN HA H 4.250 0.020 1 1737 145 145 ASN CA C 53.223 0.3 1 1738 145 145 ASN CB C 34.577 0.3 1 1739 145 145 ASN N N 126.562 0.3 1 1740 146 146 GLN H H 8.869 0.020 1 1741 146 146 GLN HA H 3.990 0.020 1 1742 146 146 GLN HB2 H 2.272 0.020 2 1743 146 146 GLN HB3 H 2.190 0.020 2 1744 146 146 GLN HG2 H 2.190 0.020 2 1745 146 146 GLN HG3 H 2.240 0.020 2 1746 146 146 GLN HE21 H 6.778 0.020 1 1747 146 146 GLN HE22 H 7.390 0.020 1 1748 146 146 GLN CA C 54.316 0.3 1 1749 146 146 GLN CB C 25.019 0.3 1 1750 146 146 GLN CG C 31.776 0.3 1 1751 146 146 GLN N N 112.109 0.3 1 1752 146 146 GLN NE2 N 111.732 0.3 1 1753 147 147 THR H H 8.018 0.020 1 1754 147 147 THR HA H 4.560 0.020 1 1755 147 147 THR HB H 4.163 0.020 1 1756 147 147 THR HG2 H 1.290 0.020 1 1757 147 147 THR C C 170.444 0.3 1 1758 147 147 THR CA C 59.235 0.3 1 1759 147 147 THR CB C 68.081 0.3 1 1760 147 147 THR CG2 C 18.807 0.3 1 1761 147 147 THR N N 116.974 0.3 1 1762 148 148 LEU H H 8.717 0.020 1 1763 148 148 LEU HA H 3.652 0.020 1 1764 148 148 LEU HB2 H 1.437 0.020 2 1765 148 148 LEU HB3 H 1.321 0.020 2 1766 148 148 LEU HG H 1.062 0.020 1 1767 148 148 LEU HD1 H 0.371 0.020 1 1768 148 148 LEU HD2 H 0.569 0.020 1 1769 148 148 LEU C C 173.952 0.3 1 1770 148 148 LEU CA C 53.120 0.3 1 1771 148 148 LEU CB C 39.982 0.3 1 1772 148 148 LEU CG C 23.953 0.3 1 1773 148 148 LEU CD1 C 21.348 0.3 1 1774 148 148 LEU CD2 C 22.908 0.3 1 1775 148 148 LEU N N 130.060 0.3 1 1776 149 149 VAL H H 9.015 0.020 1 1777 149 149 VAL HA H 4.222 0.020 1 1778 149 149 VAL HB H 1.790 0.020 1 1779 149 149 VAL HG1 H 0.819 0.020 1 1780 149 149 VAL HG2 H 0.903 0.020 1 1781 149 149 VAL C C 172.094 0.3 1 1782 149 149 VAL CA C 56.970 0.3 1 1783 149 149 VAL CB C 29.780 0.3 1 1784 149 149 VAL CG1 C 18.052 0.3 1 1785 149 149 VAL CG2 C 19.145 0.3 1 1786 149 149 VAL N N 130.244 0.3 1 1787 150 150 PRO HA H 4.534 0.020 1 1788 150 150 PRO HB2 H 2.070 0.020 2 1789 150 150 PRO HB3 H 1.947 0.020 2 1790 150 150 PRO HG2 H 1.259 0.020 1 1791 150 150 PRO HG3 H 1.259 0.020 1 1792 150 150 PRO HD2 H 3.695 0.020 1 1793 150 150 PRO HD3 H 3.695 0.020 1 1794 150 150 PRO C C 173.323 0.3 1 1795 150 150 PRO CA C 59.697 0.3 1 1796 150 150 PRO CB C 27.064 0.3 1 1797 150 150 PRO CG C 22.073 0.3 1 1798 150 150 PRO CD C 54.973 0.3 1 1799 151 151 LEU H H 7.941 0.020 1 1800 151 151 LEU HA H 4.395 0.020 1 1801 151 151 LEU HB2 H 1.729 0.020 1 1802 151 151 LEU HB3 H 1.729 0.020 1 1803 151 151 LEU HG H 1.574 0.020 1 1804 151 151 LEU HD1 H 0.826 0.020 1 1805 151 151 LEU HD2 H 0.728 0.020 1 1806 151 151 LEU C C 174.892 0.3 1 1807 151 151 LEU CA C 51.545 0.3 1 1808 151 151 LEU CB C 42.476 0.3 1 1809 151 151 LEU CG C 23.913 0.3 1 1810 151 151 LEU CD1 C 22.934 0.3 1 1811 151 151 LEU CD2 C 20.261 0.3 1 1812 151 151 LEU N N 123.695 0.3 1 1813 152 152 LYS H H 9.306 0.020 1 1814 152 152 LYS HA H 4.505 0.020 1 1815 152 152 LYS HB2 H 1.810 0.020 2 1816 152 152 LYS HB3 H 1.650 0.020 2 1817 152 152 LYS HG2 H 1.315 0.020 2 1818 152 152 LYS HG3 H 1.395 0.020 2 1819 152 152 LYS HD2 H 1.635 0.020 1 1820 152 152 LYS HD3 H 1.635 0.020 1 1821 152 152 LYS HE2 H 2.925 0.020 1 1822 152 152 LYS HE3 H 2.925 0.020 1 1823 152 152 LYS C C 172.261 0.3 1 1824 152 152 LYS CA C 52.335 0.3 1 1825 152 152 LYS CB C 27.594 0.3 1 1826 152 152 LYS CG C 21.797 0.3 1 1827 152 152 LYS CD C 26.305 0.3 1 1828 152 152 LYS CE C 39.463 0.3 1 1829 152 152 LYS N N 126.881 0.3 1 1830 153 153 ILE H H 7.154 0.020 1 1831 153 153 ILE HA H 4.584 0.020 1 1832 153 153 ILE HB H 1.803 0.020 1 1833 153 153 ILE HG12 H 1.167 0.020 2 1834 153 153 ILE HG13 H 0.826 0.020 2 1835 153 153 ILE HG2 H 0.704 0.020 1 1836 153 153 ILE HD1 H 0.439 0.020 1 1837 153 153 ILE C C 173.075 0.3 1 1838 153 153 ILE CA C 56.304 0.3 1 1839 153 153 ILE CB C 39.979 0.3 1 1840 153 153 ILE CG1 C 23.043 0.3 1 1841 153 153 ILE CG2 C 17.446 0.3 1 1842 153 153 ILE CD1 C 12.550 0.3 1 1843 153 153 ILE N N 114.198 0.3 1 1844 154 154 THR H H 9.370 0.020 1 1845 154 154 THR HA H 4.539 0.020 1 1846 154 154 THR HB H 4.279 0.020 1 1847 154 154 THR HG2 H 1.150 0.020 1 1848 154 154 THR CA C 59.704 0.3 1 1849 154 154 THR CB C 68.529 0.3 1 1850 154 154 THR CG2 C 19.140 0.3 1 1851 154 154 THR N N 111.055 0.3 1 1852 155 155 THR H H 7.692 0.020 1 1853 155 155 THR HA H 4.899 0.020 1 1854 155 155 THR HB H 4.695 0.020 1 1855 155 155 THR HG2 H 1.150 0.020 1 1856 155 155 THR C C 172.081 0.3 1 1857 155 155 THR CA C 56.519 0.3 1 1858 155 155 THR CB C 70.667 0.3 1 1859 155 155 THR CG2 C 18.858 0.3 1 1860 155 155 THR N N 111.163 0.3 1 1861 156 156 GLU H H 9.411 0.020 1 1862 156 156 GLU HA H 3.758 0.020 1 1863 156 156 GLU HB2 H 2.161 0.020 2 1864 156 156 GLU HB3 H 2.297 0.020 2 1865 156 156 GLU HG2 H 2.420 0.020 2 1866 156 156 GLU HG3 H 2.509 0.020 2 1867 156 156 GLU CA C 56.758 0.3 1 1868 156 156 GLU CB C 26.873 0.3 1 1869 156 156 GLU CG C 33.674 0.3 1 1870 156 156 GLU N N 123.371 0.3 1 1871 157 157 LYS H H 8.238 0.020 1 1872 157 157 LYS HA H 3.791 0.020 1 1873 157 157 LYS HB2 H 1.529 0.020 2 1874 157 157 LYS HB3 H 1.421 0.020 2 1875 157 157 LYS HG2 H 1.459 0.020 1 1876 157 157 LYS HG3 H 1.459 0.020 1 1877 157 157 LYS HD2 H 1.715 0.020 1 1878 157 157 LYS HD3 H 1.715 0.020 1 1879 157 157 LYS HE2 H 2.947 0.020 1 1880 157 157 LYS HE3 H 2.947 0.020 1 1881 157 157 LYS C C 175.957 0.3 1 1882 157 157 LYS CA C 57.879 0.3 1 1883 157 157 LYS CB C 29.768 0.3 1 1884 157 157 LYS CG C 22.414 0.3 1 1885 157 157 LYS N N 119.344 0.3 1 1886 158 158 GLU H H 7.581 0.020 1 1887 158 158 GLU HA H 3.849 0.020 1 1888 158 158 GLU HB2 H 2.246 0.020 2 1889 158 158 GLU HB3 H 2.014 0.020 2 1890 158 158 GLU HG2 H 2.223 0.020 1 1891 158 158 GLU HG3 H 2.223 0.020 1 1892 158 158 GLU C C 176.131 0.3 1 1893 158 158 GLU CA C 56.296 0.3 1 1894 158 158 GLU CB C 27.519 0.3 1 1895 158 158 GLU CG C 34.368 0.3 1 1896 158 158 GLU N N 117.820 0.3 1 1897 159 159 LEU H H 7.576 0.020 1 1898 159 159 LEU HA H 3.637 0.020 1 1899 159 159 LEU HB2 H 1.992 0.020 1 1900 159 159 LEU HB3 H 1.992 0.020 1 1901 159 159 LEU HG H 0.910 0.020 1 1902 159 159 LEU HD1 H 0.578 0.020 1 1903 159 159 LEU HD2 H 0.303 0.020 1 1904 159 159 LEU C C 173.681 0.3 1 1905 159 159 LEU CA C 55.843 0.3 1 1906 159 159 LEU CB C 38.381 0.3 1 1907 159 159 LEU CG C 24.456 0.3 1 1908 159 159 LEU CD1 C 20.358 0.3 1 1909 159 159 LEU CD2 C 23.468 0.3 1 1910 159 159 LEU N N 120.044 0.3 1 1911 160 160 ILE H H 7.823 0.020 1 1912 160 160 ILE HA H 3.182 0.020 1 1913 160 160 ILE HB H 1.806 0.020 1 1914 160 160 ILE HG12 H 1.470 0.020 2 1915 160 160 ILE HG13 H 1.383 0.020 2 1916 160 160 ILE HG2 H 0.895 0.020 1 1917 160 160 ILE HD1 H 0.999 0.020 1 1918 160 160 ILE C C 174.328 0.3 1 1919 160 160 ILE CA C 62.868 0.3 1 1920 160 160 ILE CB C 35.893 0.3 1 1921 160 160 ILE CG1 C 24.480 0.3 1 1922 160 160 ILE CG2 C 15.237 0.3 1 1923 160 160 ILE CD1 C 11.724 0.3 1 1924 160 160 ILE N N 117.708 0.3 1 1925 161 161 LYS H H 7.435 0.020 1 1926 161 161 LYS HA H 4.214 0.020 1 1927 161 161 LYS HB2 H 1.882 0.020 1 1928 161 161 LYS HB3 H 1.882 0.020 1 1929 161 161 LYS HG2 H 1.359 0.020 2 1930 161 161 LYS HG3 H 1.485 0.020 2 1931 161 161 LYS HD2 H 1.622 0.020 1 1932 161 161 LYS HD3 H 1.622 0.020 1 1933 161 161 LYS HE2 H 2.896 0.020 1 1934 161 161 LYS HE3 H 2.896 0.020 1 1935 161 161 LYS C C 178.212 0.3 1 1936 161 161 LYS CA C 56.516 0.3 1 1937 161 161 LYS CB C 29.333 0.3 1 1938 161 161 LYS CG C 21.997 0.3 1 1939 161 161 LYS CD C 26.414 0.3 1 1940 161 161 LYS CE C 39.355 0.3 1 1941 161 161 LYS N N 117.822 0.3 1 1942 162 162 GLU H H 8.255 0.020 1 1943 162 162 GLU HA H 3.960 0.020 1 1944 162 162 GLU HB2 H 2.011 0.020 2 1945 162 162 GLU HB3 H 1.946 0.020 2 1946 162 162 GLU HG2 H 2.305 0.020 1 1947 162 162 GLU HG3 H 2.305 0.020 1 1948 162 162 GLU C C 175.978 0.3 1 1949 162 162 GLU CA C 55.832 0.3 1 1950 162 162 GLU CB C 26.156 0.3 1 1951 162 162 GLU CG C 32.721 0.3 1 1952 162 162 GLU N N 121.391 0.3 1 1953 163 163 LEU H H 7.833 0.020 1 1954 163 163 LEU HA H 3.949 0.020 1 1955 163 163 LEU HB2 H 1.823 0.020 2 1956 163 163 LEU HB3 H 1.428 0.020 2 1957 163 163 LEU HG H 1.893 0.020 1 1958 163 163 LEU HD1 H 0.563 0.020 1 1959 163 163 LEU HD2 H 0.678 0.020 1 1960 163 163 LEU CA C 52.671 0.3 1 1961 163 163 LEU CB C 39.530 0.3 1 1962 163 163 LEU CG C 22.825 0.3 1 1963 163 163 LEU CD1 C 23.571 0.3 1 1964 163 163 LEU CD2 C 19.835 0.3 1 1965 163 163 LEU N N 116.062 0.3 1 1966 164 164 GLY H H 7.620 0.020 1 1967 164 164 GLY HA2 H 3.842 0.020 2 1968 164 164 GLY HA3 H 3.590 0.020 2 1969 164 164 GLY C C 171.697 0.3 1 1970 164 164 GLY CA C 42.242 0.3 1 1971 164 164 GLY N N 104.226 0.3 1 1972 165 165 PHE H H 7.333 0.020 1 1973 165 165 PHE HA H 4.862 0.020 1 1974 165 165 PHE HB2 H 3.407 0.020 2 1975 165 165 PHE HB3 H 2.602 0.020 2 1976 165 165 PHE HD1 H 7.130 0.020 1 1977 165 165 PHE HD2 H 7.130 0.020 1 1978 165 165 PHE HE1 H 7.125 0.020 1 1979 165 165 PHE HE2 H 7.125 0.020 1 1980 165 165 PHE HZ H 7.257 0.020 1 1981 165 165 PHE C C 171.843 0.3 1 1982 165 165 PHE CA C 53.361 0.3 1 1983 165 165 PHE CB C 38.621 0.3 1 1984 165 165 PHE CD1 C 129.294 0.3 1 1985 165 165 PHE CE1 C 128.763 0.3 1 1986 165 165 PHE CZ C 127.208 0.3 1 1987 165 165 PHE N N 118.516 0.3 1 1988 166 166 THR H H 8.514 0.020 1 1989 166 166 THR HA H 4.138 0.020 1 1990 166 166 THR HB H 3.984 0.020 1 1991 166 166 THR HG2 H 1.195 0.020 1 1992 166 166 THR C C 171.739 0.3 1 1993 166 166 THR CA C 60.154 0.3 1 1994 166 166 THR CB C 67.148 0.3 1 1995 166 166 THR CG2 C 19.029 0.3 1 1996 166 166 THR N N 116.657 0.3 1 1997 167 167 TYR H H 8.995 0.020 1 1998 167 167 TYR HA H 4.040 0.020 1 1999 167 167 TYR HB2 H 3.076 0.020 2 2000 167 167 TYR HB3 H 2.815 0.020 2 2001 167 167 TYR HD1 H 6.930 0.020 1 2002 167 167 TYR HD2 H 6.930 0.020 1 2003 167 167 TYR HE1 H 6.967 0.020 1 2004 167 167 TYR HE2 H 6.967 0.020 1 2005 167 167 TYR CA C 58.110 0.3 1 2006 167 167 TYR CB C 35.312 0.3 1 2007 167 167 TYR CD2 C 130.942 0.3 1 2008 167 167 TYR CE2 C 115.491 0.3 1 2009 167 167 TYR N N 127.611 0.3 1 2010 168 168 ARG H H 7.205 0.020 1 2011 168 168 ARG HA H 4.472 0.020 1 2012 168 168 ARG HB2 H 1.252 0.020 1 2013 168 168 ARG HB3 H 1.252 0.020 1 2014 168 168 ARG HG2 H 1.460 0.020 1 2015 168 168 ARG HG3 H 1.460 0.020 1 2016 168 168 ARG HD2 H 1.720 0.020 1 2017 168 168 ARG HD3 H 1.720 0.020 1 2018 168 168 ARG C C 172.971 0.3 1 2019 168 168 ARG CA C 49.948 0.3 1 2020 168 168 ARG CB C 30.236 0.3 1 2021 168 168 ARG CG C 32.578 0.3 1 2022 168 168 ARG CD C 33.069 0.3 1 2023 168 168 ARG N N 126.847 0.3 1 2024 169 169 ILE H H 8.351 0.020 1 2025 169 169 ILE HA H 4.126 0.020 1 2026 169 169 ILE HB H 2.140 0.020 1 2027 169 169 ILE HG12 H 1.262 0.020 1 2028 169 169 ILE HG13 H 1.262 0.020 1 2029 169 169 ILE HG2 H 1.148 0.020 1 2030 169 169 ILE HD1 H 0.877 0.020 1 2031 169 169 ILE C C 172.031 0.3 1 2032 169 169 ILE CA C 58.334 0.3 1 2033 169 169 ILE CB C 32.957 0.3 1 2034 169 169 ILE CG1 C 22.716 0.3 1 2035 169 169 ILE CG2 C 15.209 0.3 1 2036 169 169 ILE CD1 C 11.488 0.3 1 2037 169 169 ILE N N 120.147 0.3 1 2038 170 170 PRO HA H 3.361 0.020 1 2039 170 170 PRO HB2 H 2.010 0.020 2 2040 170 170 PRO HB3 H 1.730 0.020 2 2041 170 170 PRO HG2 H 1.542 0.020 1 2042 170 170 PRO HG3 H 1.542 0.020 1 2043 170 170 PRO HD2 H 3.023 0.020 1 2044 170 170 PRO HD3 H 3.023 0.020 1 2045 170 170 PRO C C 174.623 0.3 1 2046 170 170 PRO CA C 64.454 0.3 1 2047 170 170 PRO CB C 29.329 0.3 1 2048 170 170 PRO CG C 22.366 0.3 1 2049 170 170 PRO CD C 41.641 0.3 1 2050 171 171 LYS H H 8.334 0.020 1 2051 171 171 LYS HA H 4.295 0.020 1 2052 171 171 LYS HB2 H 1.955 0.020 2 2053 171 171 LYS HB3 H 1.413 0.020 2 2054 171 171 LYS HG2 H 1.156 0.020 2 2055 171 171 LYS HG3 H 1.298 0.020 2 2056 171 171 LYS HD2 H 1.598 0.020 1 2057 171 171 LYS HD3 H 1.598 0.020 1 2058 171 171 LYS HE2 H 2.892 0.020 1 2059 171 171 LYS HE3 H 2.892 0.020 1 2060 171 171 LYS C C 173.347 0.3 1 2061 171 171 LYS CA C 55.167 0.3 1 2062 171 171 LYS CB C 30.010 0.3 1 2063 171 171 LYS CG C 21.509 0.3 1 2064 171 171 LYS CD C 27.035 0.3 1 2065 171 171 LYS CE C 39.355 0.3 1 2066 171 171 LYS N N 113.088 0.3 1 2067 172 172 LYS H H 7.806 0.020 1 2068 172 172 LYS HA H 4.320 0.020 1 2069 172 172 LYS HB2 H 2.015 0.020 2 2070 172 172 LYS HB3 H 1.437 0.020 2 2071 172 172 LYS HG2 H 1.109 0.020 2 2072 172 172 LYS HG3 H 1.269 0.020 2 2073 172 172 LYS HD2 H 1.583 0.020 2 2074 172 172 LYS HD3 H 1.628 0.020 2 2075 172 172 LYS HE2 H 2.893 0.020 1 2076 172 172 LYS HE3 H 2.893 0.020 1 2077 172 172 LYS C C 172.867 0.3 1 2078 172 172 LYS CA C 51.763 0.3 1 2079 172 172 LYS CB C 30.010 0.3 1 2080 172 172 LYS CG C 22.771 0.3 1 2081 172 172 LYS CD C 25.769 0.3 1 2082 172 172 LYS CE C 39.355 0.3 1 2083 172 172 LYS N N 116.602 0.3 1 2084 173 173 ARG H H 6.852 0.020 1 2085 173 173 ARG HA H 3.404 0.020 1 2086 173 173 ARG HB2 H 1.288 0.020 1 2087 173 173 ARG HB3 H 1.288 0.020 1 2088 173 173 ARG HG2 H 0.897 0.020 1 2089 173 173 ARG HG3 H 0.897 0.020 1 2090 173 173 ARG HD2 H 1.775 0.020 2 2091 173 173 ARG HD3 H 1.550 0.020 2 2092 173 173 ARG HE H 5.840 0.020 1 2093 173 173 ARG C C 170.089 0.3 1 2094 173 173 ARG CA C 54.713 0.3 1 2095 173 173 ARG CB C 26.837 0.3 1 2096 173 173 ARG N N 121.494 0.3 1 2097 173 173 ARG NE N 82.494 0.3 1 2098 174 174 LEU H H 7.193 0.020 1 2099 174 174 LEU HA H 3.988 0.020 1 2100 174 174 LEU HB2 H 1.503 0.020 2 2101 174 174 LEU HB3 H 1.379 0.020 2 2102 174 174 LEU HG H 1.389 0.020 1 2103 174 174 LEU HD1 H 0.784 0.020 1 2104 174 174 LEU HD2 H 0.783 0.020 1 2105 174 174 LEU C C 178.233 0.3 1 2106 174 174 LEU CA C 54.482 0.3 1 2107 174 174 LEU CB C 42.702 0.3 1 2108 174 174 LEU CG C 24.456 0.3 1 2109 174 174 LEU CD1 C 22.156 0.3 1 2110 174 174 LEU CD2 C 22.047 0.3 1 2111 174 174 LEU N N 128.188 0.3 1 stop_ save_