data_26753 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR study of non-structural proteins - 1H, 13C, 15N resonance assignment of macro domain of Venezuelan equine encephalitis virus (VEEV) in complex with ADP-ribose ; _BMRB_accession_number 26753 _BMRB_flat_file_name bmr26753.str _Entry_type original _Submission_date 2016-03-09 _Accession_date 2016-03-09 _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 Makrynitsa Garyfallia I. . 2 Ntonti Dioni . . 3 Marousis Konstantinos D. . 4 Bentrop Detlef . . 5 Spyroulias Georgios A. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 858 "13C chemical shifts" 651 "15N chemical shifts" 153 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2018-06-25 original BMRB . stop_ loop_ _Related_BMRB_accession_number _Relationship 25132 ; NMR study of non-structural proteins - 1H, 13C, 15N resonance assignment of macro doamin of Venezuelan equine encephalitis virus (VEEV) ; stop_ _Original_release_date 2016-03-09 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; NMR study of non-structural proteins: 1H, 13C, 15N backbone and side-chain resonance assignment of macro domain of Venezuelan equine encephalitis virus (VEEV) in complex with ADP-ribose ; _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Makrynitsa Garyfallia I. . 2 Ntonti Dioni . . 3 Marousis Konstantinos D. . 4 Bentrop Detlef . . 5 Spyroulias Georgios A. . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Veev macro domain/ADP-ribose complex' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'VEEV macro domain' $VEEV_macro_domain 'ADP ribose' $entity_APR stop_ _System_molecular_weight 17791.6 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_VEEV_macro_domain _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common VEEV_macro_domain _Molecular_mass 17251.6 _Mol_thiol_state 'all free' loop_ _Biological_function 'binding pocket for NAD+ metabolites: ADP-ribose, PAR and negatively charged molecules as RNA' 'viral replication' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 160 _Mol_residue_sequence ; APSYHVVRGDIATATEGVII NAANSKGQPGGGVCGALYKK FPESFDLQPIEVGKARLVKG AAKHIIHAVGPNFNKVSEVE GDKQLAEAYESIAKIVNDNN YKSVAIPLLSTGIFSGNKDR LTQSLNHLLTALDTTDADVA IYCRDKKWEMTLKEAVARRE ; loop_ _Residue_seq_code _Residue_label 1 ALA 2 PRO 3 SER 4 TYR 5 HIS 6 VAL 7 VAL 8 ARG 9 GLY 10 ASP 11 ILE 12 ALA 13 THR 14 ALA 15 THR 16 GLU 17 GLY 18 VAL 19 ILE 20 ILE 21 ASN 22 ALA 23 ALA 24 ASN 25 SER 26 LYS 27 GLY 28 GLN 29 PRO 30 GLY 31 GLY 32 GLY 33 VAL 34 CYS 35 GLY 36 ALA 37 LEU 38 TYR 39 LYS 40 LYS 41 PHE 42 PRO 43 GLU 44 SER 45 PHE 46 ASP 47 LEU 48 GLN 49 PRO 50 ILE 51 GLU 52 VAL 53 GLY 54 LYS 55 ALA 56 ARG 57 LEU 58 VAL 59 LYS 60 GLY 61 ALA 62 ALA 63 LYS 64 HIS 65 ILE 66 ILE 67 HIS 68 ALA 69 VAL 70 GLY 71 PRO 72 ASN 73 PHE 74 ASN 75 LYS 76 VAL 77 SER 78 GLU 79 VAL 80 GLU 81 GLY 82 ASP 83 LYS 84 GLN 85 LEU 86 ALA 87 GLU 88 ALA 89 TYR 90 GLU 91 SER 92 ILE 93 ALA 94 LYS 95 ILE 96 VAL 97 ASN 98 ASP 99 ASN 100 ASN 101 TYR 102 LYS 103 SER 104 VAL 105 ALA 106 ILE 107 PRO 108 LEU 109 LEU 110 SER 111 THR 112 GLY 113 ILE 114 PHE 115 SER 116 GLY 117 ASN 118 LYS 119 ASP 120 ARG 121 LEU 122 THR 123 GLN 124 SER 125 LEU 126 ASN 127 HIS 128 LEU 129 LEU 130 THR 131 ALA 132 LEU 133 ASP 134 THR 135 THR 136 ASP 137 ALA 138 ASP 139 VAL 140 ALA 141 ILE 142 TYR 143 CYS 144 ARG 145 ASP 146 LYS 147 LYS 148 TRP 149 GLU 150 MET 151 THR 152 LEU 153 LYS 154 GLU 155 ALA 156 VAL 157 ALA 158 ARG 159 ARG 160 GLU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . 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 UNP P36328 'VEEV macro domain' . . . . . stop_ save_ ############# # Ligands # ############# save_APR _Saveframe_category ligand _Mol_type "non-polymer (NON-POLYMER)" _Name_common "entity_APR (ADENOSINE-5-DIPHOSPHORIBOSE)" _BMRB_code APR _PDB_code APR _Molecular_mass 559.316 _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 N1 N1 N . 0 . ? C2 C2 C . 0 . ? N3 N3 N . 0 . ? C4 C4 C . 0 . ? C5 C5 C . 0 . ? C6 C6 C . 0 . ? N6 N6 N . 0 . ? N7 N7 N . 0 . ? C8 C8 C . 0 . ? N9 N9 N . 0 . ? C1' C1' C . 0 . ? C2' C2' C . 0 . ? O2' O2' O . 0 . ? C3' C3' C . 0 . ? O3' O3' O . 0 . ? O4' O4' O . 0 . ? C4' C4' C . 0 . ? C5' C5' C . 0 . ? O5' O5' O . 0 . ? PA PA P . 0 . ? O1A O1A O . 0 . ? O2A O2A O . 0 . ? O3A O3A O . 0 . ? PB PB P . 0 . ? O1B O1B O . 0 . ? O2B O2B O . 0 . ? O5D O5D O . 0 . ? C5D C5D C . 0 . ? O4D O4D O . 0 . ? O1D O1D O . 0 . ? C1D C1D C . 0 . ? O2D O2D O . 0 . ? C2D C2D C . 0 . ? O3D O3D O . 0 . ? C3D C3D C . 0 . ? C4D C4D C . 0 . ? H2 H2 H . 0 . ? H61 H61 H . 0 . ? H62 H62 H . 0 . ? H8 H8 H . 0 . ? H'1 H'1 H . 0 . ? H'2 H'2 H . 0 . ? HO'2 HO'2 H . 0 . ? H'3 H'3 H . 0 . ? HO'3 HO'3 H . 0 . ? H'4 H'4 H . 0 . ? H5'1 H5'1 H . 0 . ? H5'2 H5'2 H . 0 . ? HOA2 HOA2 H . 0 . ? HOB2 HOB2 H . 0 . ? H5R1 H5R1 H . 0 . ? H5R2 H5R2 H . 0 . ? HOR1 HOR1 H . 0 . ? HR'1 HR'1 H . 0 . ? HOR2 HOR2 H . 0 . ? HR'2 HR'2 H . 0 . ? HOR3 HOR3 H . 0 . ? HR'3 HR'3 H . 0 . ? HR'4 HR'4 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 N1 C2 ? ? DOUB N1 C6 ? ? DOUB C2 N3 ? ? SING C2 H2 ? ? SING N3 C4 ? ? DOUB C4 C5 ? ? SING C4 N9 ? ? SING C5 C6 ? ? SING C5 N7 ? ? SING C6 N6 ? ? SING N6 H61 ? ? SING N6 H62 ? ? DOUB N7 C8 ? ? SING C8 N9 ? ? SING C8 H8 ? ? SING N9 C1' ? ? SING C1' C2' ? ? SING C1' O4' ? ? SING C1' H'1 ? ? SING C2' O2' ? ? SING C2' C3' ? ? SING C2' H'2 ? ? SING O2' HO'2 ? ? SING C3' O3' ? ? SING C3' C4' ? ? SING C3' H'3 ? ? SING O3' HO'3 ? ? SING O4' C4' ? ? SING C4' C5' ? ? SING C4' H'4 ? ? SING C5' O5' ? ? SING C5' H5'1 ? ? SING C5' H5'2 ? ? SING O5' PA ? ? DOUB PA O1A ? ? SING PA O2A ? ? SING PA O3A ? ? SING O2A HOA2 ? ? SING O3A PB ? ? DOUB PB O1B ? ? SING PB O2B ? ? SING PB O5D ? ? SING O2B HOB2 ? ? SING O5D C5D ? ? SING C5D C4D ? ? SING C5D H5R1 ? ? SING C5D H5R2 ? ? SING O4D C1D ? ? SING O4D C4D ? ? SING O1D C1D ? ? SING O1D HOR1 ? ? SING C1D C2D ? ? SING C1D HR'1 ? ? SING O2D C2D ? ? SING O2D HOR2 ? ? SING C2D C3D ? ? SING C2D HR'2 ? ? SING O3D C3D ? ? SING O3D HOR3 ? ? SING C3D C4D ? ? SING C3D HR'3 ? ? SING C4D HR'4 ? ? 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 _Strain $VEEV_macro_domain 'Venezuelan equine encephalitis virus' 11036 Viruses . Alphavirus VEEV P676 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 $VEEV_macro_domain 'recombinant technology' . Escherichia coli 'Rosetta 2 (DE3) (pLysS) and DL39' pDest14 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 $VEEV_macro_domain 0.18 mM '[U-99% 15N]' $entity_APR 0.2 mM 'natural abundance' 'Buffer HEPES' 10 mM 'natural abundance' NaCl 20 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 $VEEV_macro_domain 0.21 mM '[U-98% 13C; U-98% 15N]' $entity_APR 0.26 mM 'natural abundance' 'Buffer HEPES' 10 mM 'natural abundance' NaCl 20 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version 3.2 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection processing stop_ _Details . save_ save_CARA _Saveframe_category software _Name CARA _Version 1.5.5 loop_ _Vendor _Address _Electronic_address 'Keller and Wuthrich' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model 'Avance HD-III HD' _Field_strength 700 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_2 save_ save_3D_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_2 save_ save_3D_HNCO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_2 save_ save_3D_HN(CA)CO_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $sample_2 save_ save_3D_HNCA_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_2 save_ save_3D_HN(CO)CA_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_2 save_ save_3D_HNHA_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHA' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_2 save_ save_2D_1H-13C_HSQC_11 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_2 save_ save_3D_1H-13C_NOESY_aliphatic_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_2 save_ save_3D_1H-13C_NOESY_aromatic_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _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' 20 . mM pH 7.0 . 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 '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' '3D 1H-15N NOESY' '3D CBCA(CO)NH' '3D HNCACB' '3D HNCO' '3D HN(CA)CO' '3D HNCA' '3D HN(CO)CA' '3D HNHA' '3D HCCH-TOCSY' '2D 1H-13C HSQC' '3D 1H-13C NOESY aliphatic' '3D 1H-13C NOESY aromatic' 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 'VEEV macro domain' _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 ALA H H 8.302 0.020 1 2 1 1 ALA HA H 4.710 0.020 1 3 1 1 ALA HB H 1.281 0.020 1 4 1 1 ALA C C 174.506 0.3 1 5 1 1 ALA CA C 50.273 0.3 1 6 1 1 ALA CB C 18.970 0.3 1 7 1 1 ALA N N 126.460 0.3 1 8 2 2 PRO HA H 4.471 0.020 1 9 2 2 PRO HB2 H 1.327 0.020 2 10 2 2 PRO HB3 H 2.048 0.020 2 11 2 2 PRO HG2 H 2.406 0.020 1 12 2 2 PRO HG3 H 2.406 0.020 1 13 2 2 PRO HD2 H 3.569 0.020 1 14 2 2 PRO HD3 H 3.569 0.020 1 15 2 2 PRO C C 176.635 0.3 1 16 2 2 PRO CA C 62.928 0.3 1 17 2 2 PRO CB C 32.654 0.3 1 18 2 2 PRO CG C 26.664 0.3 1 19 2 2 PRO CD C 49.807 0.3 1 20 3 3 SER H H 8.155 0.020 1 21 3 3 SER HA H 4.686 0.020 1 22 3 3 SER HB2 H 3.751 0.020 1 23 3 3 SER HB3 H 3.751 0.020 1 24 3 3 SER C C 172.439 0.3 1 25 3 3 SER CA C 56.888 0.3 1 26 3 3 SER CB C 65.537 0.3 1 27 3 3 SER N N 114.698 0.3 1 28 4 4 TYR H H 8.575 0.020 1 29 4 4 TYR HA H 5.606 0.020 1 30 4 4 TYR HB2 H 2.618 0.020 1 31 4 4 TYR HB3 H 2.618 0.020 1 32 4 4 TYR HD1 H 6.815 0.020 1 33 4 4 TYR C C 176.184 0.3 1 34 4 4 TYR CA C 57.268 0.3 1 35 4 4 TYR CB C 42.647 0.3 1 36 4 4 TYR CD1 C 132.555 0.3 1 37 4 4 TYR N N 121.455 0.3 1 38 5 5 HIS H H 8.832 0.020 1 39 5 5 HIS HA H 4.939 0.020 1 40 5 5 HIS HB2 H 3.254 0.020 1 41 5 5 HIS HB3 H 3.254 0.020 1 42 5 5 HIS HD2 H 6.894 0.020 1 43 5 5 HIS HE1 H 8.604 0.020 1 44 5 5 HIS C C 171.720 0.3 1 45 5 5 HIS CA C 54.780 0.3 1 46 5 5 HIS CB C 30.729 0.3 1 47 5 5 HIS CD2 C 117.593 0.3 1 48 5 5 HIS CE1 C 136.919 0.3 1 49 5 5 HIS N N 116.807 0.3 1 50 6 6 VAL H H 8.808 0.020 1 51 6 6 VAL HA H 4.814 0.020 1 52 6 6 VAL HB H 1.893 0.020 1 53 6 6 VAL HG1 H 0.782 0.020 1 54 6 6 VAL HG2 H 0.948 0.020 1 55 6 6 VAL C C 175.116 0.3 1 56 6 6 VAL CA C 61.379 0.3 1 57 6 6 VAL CB C 33.620 0.3 1 58 6 6 VAL CG1 C 21.569 0.3 1 59 6 6 VAL CG2 C 21.927 0.3 1 60 6 6 VAL N N 123.410 0.3 1 61 7 7 VAL H H 8.926 0.020 1 62 7 7 VAL HA H 3.924 0.020 1 63 7 7 VAL HB H 0.367 0.020 1 64 7 7 VAL HG1 H 0.476 0.020 1 65 7 7 VAL HG2 H 0.564 0.020 1 66 7 7 VAL C C 173.388 0.3 1 67 7 7 VAL CA C 61.246 0.3 1 68 7 7 VAL CB C 34.116 0.3 1 69 7 7 VAL CG1 C 21.244 0.3 1 70 7 7 VAL CG2 C 20.894 0.3 1 71 7 7 VAL N N 130.402 0.3 1 72 8 8 ARG H H 8.359 0.020 1 73 8 8 ARG HA H 5.208 0.020 1 74 8 8 ARG HB2 H 0.962 0.020 2 75 8 8 ARG HB3 H 1.817 0.020 2 76 8 8 ARG HG2 H 1.281 0.020 2 77 8 8 ARG HG3 H 1.162 0.020 2 78 8 8 ARG HD2 H 2.833 0.020 1 79 8 8 ARG HD3 H 2.833 0.020 1 80 8 8 ARG C C 175.465 0.3 1 81 8 8 ARG CA C 53.347 0.3 1 82 8 8 ARG CB C 30.525 0.3 1 83 8 8 ARG CG C 27.412 0.3 1 84 8 8 ARG CD C 42.693 0.3 1 85 8 8 ARG N N 128.503 0.3 1 86 9 9 GLY H H 8.680 0.020 1 87 9 9 GLY HA2 H 3.979 0.020 1 88 9 9 GLY HA3 H 3.979 0.020 1 89 9 9 GLY C C 170.193 0.3 1 90 9 9 GLY CA C 44.956 0.3 1 91 9 9 GLY N N 116.291 0.3 1 92 10 10 ASP H H 8.379 0.020 1 93 10 10 ASP HA H 5.189 0.020 1 94 10 10 ASP HB2 H 2.642 0.020 2 95 10 10 ASP HB3 H 2.857 0.020 2 96 10 10 ASP C C 178.491 0.3 1 97 10 10 ASP CA C 52.308 0.3 1 98 10 10 ASP CB C 41.646 0.3 1 99 10 10 ASP N N 118.289 0.3 1 100 11 11 ILE HA H 3.069 0.020 1 101 11 11 ILE HB H 1.214 0.020 1 102 11 11 ILE HG12 H 1.047 0.020 2 103 11 11 ILE HG13 H 0.348 0.020 2 104 11 11 ILE HG2 H 0.612 0.020 1 105 11 11 ILE HD1 H 0.512 0.020 1 106 11 11 ILE C C 174.698 0.3 1 107 11 11 ILE CA C 64.204 0.3 1 108 11 11 ILE CB C 38.339 0.3 1 109 11 11 ILE CG1 C 28.613 0.3 1 110 11 11 ILE CG2 C 16.566 0.3 1 111 11 11 ILE CD1 C 14.157 0.3 1 112 12 12 ALA H H 8.374 0.020 1 113 12 12 ALA HA H 4.090 0.020 1 114 12 12 ALA HB H 1.282 0.020 1 115 12 12 ALA C C 178.271 0.3 1 116 12 12 ALA CA C 54.084 0.3 1 117 12 12 ALA CB C 18.219 0.3 1 118 12 12 ALA N N 122.816 0.3 1 119 13 13 THR H H 8.103 0.020 1 120 13 13 THR HA H 4.404 0.020 1 121 13 13 THR HB H 4.566 0.020 1 122 13 13 THR HG2 H 1.224 0.020 1 123 13 13 THR C C 174.696 0.3 1 124 13 13 THR CA C 60.978 0.3 1 125 13 13 THR CB C 69.749 0.3 1 126 13 13 THR CG2 C 21.619 0.3 1 127 13 13 THR N N 107.319 0.3 1 128 14 14 ALA H H 7.501 0.020 1 129 14 14 ALA HA H 4.350 0.020 1 130 14 14 ALA HB H 1.376 0.020 1 131 14 14 ALA C C 178.742 0.3 1 132 14 14 ALA CA C 53.979 0.3 1 133 14 14 ALA CB C 18.915 0.3 1 134 14 14 ALA N N 126.908 0.3 1 135 15 15 THR H H 7.935 0.020 1 136 15 15 THR HA H 4.199 0.020 1 137 15 15 THR HB H 4.344 0.020 1 138 15 15 THR HG2 H 1.285 0.020 1 139 15 15 THR C C 175.245 0.3 1 140 15 15 THR CA C 61.822 0.3 1 141 15 15 THR CB C 69.126 0.3 1 142 15 15 THR CG2 C 21.520 0.3 1 143 15 15 THR N N 111.850 0.3 1 144 16 16 GLU H H 8.630 0.020 1 145 16 16 GLU HA H 3.916 0.020 1 146 16 16 GLU HB2 H 1.675 0.020 2 147 16 16 GLU HB3 H 1.940 0.020 2 148 16 16 GLU HG2 H 2.415 0.020 2 149 16 16 GLU HG3 H 2.317 0.020 2 150 16 16 GLU C C 176.304 0.3 1 151 16 16 GLU CA C 59.250 0.3 1 152 16 16 GLU CB C 30.250 0.3 1 153 16 16 GLU CG C 39.133 0.3 1 154 16 16 GLU N N 125.062 0.3 1 155 17 17 GLY H H 8.152 0.020 1 156 17 17 GLY HA2 H 3.920 0.020 2 157 17 17 GLY HA3 H 3.753 0.020 2 158 17 17 GLY C C 172.439 0.3 1 159 17 17 GLY CA C 46.516 0.3 1 160 17 17 GLY N N 107.399 0.3 1 161 18 18 VAL H H 7.026 0.020 1 162 18 18 VAL HA H 4.650 0.020 1 163 18 18 VAL HB H 1.287 0.020 1 164 18 18 VAL HG1 H 0.407 0.020 1 165 18 18 VAL HG2 H 0.134 0.020 1 166 18 18 VAL C C 172.369 0.3 1 167 18 18 VAL CA C 59.587 0.3 1 168 18 18 VAL CB C 33.638 0.3 1 169 18 18 VAL CG1 C 20.477 0.3 1 170 18 18 VAL CG2 C 21.216 0.3 1 171 18 18 VAL N N 118.551 0.3 1 172 19 19 ILE H H 7.660 0.020 1 173 19 19 ILE HA H 4.684 0.020 1 174 19 19 ILE HB H 1.159 0.020 1 175 19 19 ILE HG12 H 0.692 0.020 1 176 19 19 ILE HG13 H 0.692 0.020 1 177 19 19 ILE HG2 H 0.653 0.020 1 178 19 19 ILE HD1 H 0.699 0.020 1 179 19 19 ILE C C 173.842 0.3 1 180 19 19 ILE CA C 59.439 0.3 1 181 19 19 ILE CB C 42.098 0.3 1 182 19 19 ILE CG1 C 27.126 0.3 1 183 19 19 ILE CG2 C 18.933 0.3 1 184 19 19 ILE CD1 C 14.263 0.3 1 185 19 19 ILE N N 125.637 0.3 1 186 20 20 ILE H H 8.437 0.020 1 187 20 20 ILE HA H 4.850 0.020 1 188 20 20 ILE HB H 2.090 0.020 1 189 20 20 ILE HG12 H 1.593 0.020 2 190 20 20 ILE HG13 H 1.241 0.020 2 191 20 20 ILE HG2 H 0.790 0.020 1 192 20 20 ILE HD1 H 0.751 0.020 1 193 20 20 ILE C C 172.409 0.3 1 194 20 20 ILE CA C 59.123 0.3 1 195 20 20 ILE CB C 38.271 0.3 1 196 20 20 ILE CG1 C 33.126 0.3 1 197 20 20 ILE CG2 C 21.133 0.3 1 198 20 20 ILE CD1 C 15.345 0.3 1 199 20 20 ILE N N 130.217 0.3 1 200 21 21 ASN H H 8.506 0.020 1 201 21 21 ASN HA H 4.522 0.020 1 202 21 21 ASN HB2 H 2.158 0.020 2 203 21 21 ASN HB3 H 1.778 0.020 2 204 21 21 ASN C C 174.576 0.3 1 205 21 21 ASN CA C 50.353 0.3 1 206 21 21 ASN CB C 41.046 0.3 1 207 21 21 ASN N N 121.021 0.3 1 208 22 22 ALA H H 5.970 0.020 1 209 22 22 ALA HA H 4.534 0.020 1 210 22 22 ALA HB H 1.373 0.020 1 211 22 22 ALA CA C 57.446 0.3 1 212 22 22 ALA CB C 24.608 0.3 1 213 22 22 ALA N N 133.854 0.3 1 214 23 23 ALA H H 8.478 0.020 1 215 23 23 ALA HA H 4.413 0.020 1 216 23 23 ALA HB H 1.295 0.020 1 217 23 23 ALA C C 175.645 0.3 1 218 23 23 ALA CA C 51.154 0.3 1 219 23 23 ALA CB C 21.534 0.3 1 220 23 23 ALA N N 126.007 0.3 1 221 24 24 ASN H H 8.317 0.020 1 222 24 24 ASN HA H 5.329 0.020 1 223 24 24 ASN HB2 H 3.073 0.020 2 224 24 24 ASN HB3 H 2.986 0.020 2 225 24 24 ASN HD21 H 7.255 0.020 1 226 24 24 ASN HD22 H 6.576 0.020 1 227 24 24 ASN CA C 51.445 0.3 1 228 24 24 ASN CB C 43.245 0.3 1 229 24 24 ASN N N 110.614 0.3 1 230 24 24 ASN ND2 N 110.812 0.3 1 231 25 25 SER H H 9.143 0.020 1 232 25 25 SER HA H 4.964 0.020 1 233 25 25 SER HB2 H 4.236 0.020 2 234 25 25 SER HB3 H 3.903 0.020 2 235 25 25 SER C C 176.585 0.3 1 236 25 25 SER CA C 59.987 0.3 1 237 25 25 SER CB C 63.600 0.3 1 238 25 25 SER N N 114.818 0.3 1 239 26 26 LYS H H 8.068 0.020 1 240 26 26 LYS HA H 4.366 0.020 1 241 26 26 LYS HB2 H 1.733 0.020 1 242 26 26 LYS HB3 H 1.733 0.020 1 243 26 26 LYS HG2 H 1.399 0.020 1 244 26 26 LYS HG3 H 1.399 0.020 1 245 26 26 LYS HD2 H 1.652 0.020 1 246 26 26 LYS HD3 H 1.652 0.020 1 247 26 26 LYS HE2 H 3.003 0.020 1 248 26 26 LYS HE3 H 3.003 0.020 1 249 26 26 LYS C C 177.363 0.3 1 250 26 26 LYS CA C 56.003 0.3 1 251 26 26 LYS CB C 32.576 0.3 1 252 26 26 LYS CG C 24.616 0.3 1 253 26 26 LYS CD C 29.143 0.3 1 254 26 26 LYS CE C 42.017 0.3 1 255 26 26 LYS N N 120.278 0.3 1 256 27 27 GLY H H 8.128 0.020 1 257 27 27 GLY HA2 H 3.604 0.020 2 258 27 27 GLY HA3 H 3.796 0.020 2 259 27 27 GLY C C 174.967 0.3 1 260 27 27 GLY CA C 45.757 0.3 1 261 27 27 GLY N N 110.636 0.3 1 262 28 28 GLN H H 7.198 0.020 1 263 28 28 GLN HA H 4.368 0.020 1 264 28 28 GLN HB2 H 2.022 0.020 1 265 28 28 GLN HB3 H 2.022 0.020 1 266 28 28 GLN HG2 H 2.151 0.020 1 267 28 28 GLN HG3 H 2.151 0.020 1 268 28 28 GLN C C 174.676 0.3 1 269 28 28 GLN CA C 52.862 0.3 1 270 28 28 GLN CB C 28.700 0.3 1 271 28 28 GLN CG C 33.118 0.3 1 272 28 28 GLN N N 116.504 0.3 1 273 30 30 GLY H H 8.216 0.020 1 274 30 30 GLY HA2 H 3.583 0.020 1 275 30 30 GLY HA3 H 3.583 0.020 1 276 30 30 GLY CA C 42.764 0.3 1 277 30 30 GLY N N 123.303 0.3 1 278 31 31 GLY HA2 H 4.568 0.020 2 279 31 31 GLY HA3 H 3.692 0.020 2 280 31 31 GLY C C 173.849 0.3 1 281 31 31 GLY CA C 43.544 0.3 1 282 32 32 GLY H H 8.227 0.020 1 283 32 32 GLY HA2 H 4.430 0.020 2 284 32 32 GLY HA3 H 3.905 0.020 2 285 32 32 GLY CA C 46.790 0.3 1 286 32 32 GLY N N 107.063 0.3 1 287 33 33 VAL H H 8.275 0.020 1 288 33 33 VAL HA H 3.745 0.020 1 289 33 33 VAL HB H 2.329 0.020 1 290 33 33 VAL HG1 H 1.094 0.020 1 291 33 33 VAL HG2 H 0.929 0.020 1 292 33 33 VAL CA C 68.146 0.3 1 293 33 33 VAL CB C 31.769 0.3 1 294 33 33 VAL CG1 C 21.276 0.3 1 295 33 33 VAL CG2 C 23.497 0.3 1 296 33 33 VAL N N 115.027 0.3 1 297 35 35 GLY H H 7.828 0.020 1 298 35 35 GLY HA2 H 3.681 0.020 2 299 35 35 GLY HA3 H 3.877 0.020 2 300 35 35 GLY CA C 47.697 0.3 1 301 35 35 GLY N N 106.791 0.3 1 302 36 36 ALA H H 7.752 0.020 1 303 36 36 ALA HA H 4.170 0.020 1 304 36 36 ALA HB H 1.701 0.020 1 305 36 36 ALA C C 181.157 0.3 1 306 36 36 ALA CA C 54.875 0.3 1 307 36 36 ALA CB C 18.453 0.3 1 308 36 36 ALA N N 126.534 0.3 1 309 37 37 LEU H H 8.944 0.020 1 310 37 37 LEU HA H 4.223 0.020 1 311 37 37 LEU HB2 H 2.200 0.020 1 312 37 37 LEU HB3 H 2.200 0.020 1 313 37 37 LEU HG H 1.899 0.020 1 314 37 37 LEU HD1 H 0.860 0.020 1 315 37 37 LEU HD2 H 0.646 0.020 1 316 37 37 LEU C C 178.351 0.3 1 317 37 37 LEU CA C 57.268 0.3 1 318 37 37 LEU CB C 36.409 0.3 1 319 37 37 LEU CG C 26.137 0.3 1 320 37 37 LEU CD1 C 25.462 0.3 1 321 37 37 LEU CD2 C 22.746 0.3 1 322 37 37 LEU N N 118.134 0.3 1 323 38 38 TYR H H 8.953 0.020 1 324 38 38 TYR HA H 3.363 0.020 1 325 38 38 TYR HB2 H 2.469 0.020 2 326 38 38 TYR HB3 H 2.269 0.020 2 327 38 38 TYR HD1 H 6.028 0.020 1 328 38 38 TYR HE1 H 6.581 0.020 1 329 38 38 TYR C C 176.174 0.3 1 330 38 38 TYR CA C 61.463 0.3 1 331 38 38 TYR CB C 37.392 0.3 1 332 38 38 TYR CD1 C 132.827 0.3 1 333 38 38 TYR CE1 C 117.833 0.3 1 334 38 38 TYR N N 122.432 0.3 1 335 39 39 LYS H H 7.201 0.020 1 336 39 39 LYS HA H 3.730 0.020 1 337 39 39 LYS HB2 H 1.769 0.020 1 338 39 39 LYS HB3 H 1.769 0.020 1 339 39 39 LYS HG2 H 1.485 0.020 2 340 39 39 LYS HG3 H 1.382 0.020 2 341 39 39 LYS HD2 H 1.649 0.020 1 342 39 39 LYS HD3 H 1.649 0.020 1 343 39 39 LYS HE2 H 2.943 0.020 1 344 39 39 LYS HE3 H 2.943 0.020 1 345 39 39 LYS C C 177.422 0.3 1 346 39 39 LYS CA C 58.259 0.3 1 347 39 39 LYS CB C 32.429 0.3 1 348 39 39 LYS CG C 25.020 0.3 1 349 39 39 LYS CD C 28.937 0.3 1 350 39 39 LYS CE C 41.901 0.3 1 351 39 39 LYS N N 115.030 0.3 1 352 40 40 LYS H H 6.592 0.020 1 353 40 40 LYS HA H 3.948 0.020 1 354 40 40 LYS HB2 H 0.860 0.020 2 355 40 40 LYS HB3 H 1.193 0.020 2 356 40 40 LYS HG2 H 0.509 0.020 2 357 40 40 LYS HG3 H 0.667 0.020 2 358 40 40 LYS HD2 H 1.351 0.020 1 359 40 40 LYS HD3 H 1.351 0.020 1 360 40 40 LYS HE2 H 2.676 0.020 1 361 40 40 LYS HE3 H 2.676 0.020 1 362 40 40 LYS C C 175.875 0.3 1 363 40 40 LYS CA C 56.825 0.3 1 364 40 40 LYS CB C 34.339 0.3 1 365 40 40 LYS CG C 24.124 0.3 1 366 40 40 LYS CD C 28.347 0.3 1 367 40 40 LYS CE C 41.950 0.3 1 368 40 40 LYS N N 116.536 0.3 1 369 41 41 PHE H H 8.606 0.020 1 370 41 41 PHE HA H 5.355 0.020 1 371 41 41 PHE HB2 H 3.331 0.020 2 372 41 41 PHE HB3 H 3.036 0.020 2 373 41 41 PHE HD1 H 7.248 0.020 1 374 41 41 PHE HE1 H 7.229 0.020 1 375 41 41 PHE C C 173.618 0.3 1 376 41 41 PHE CA C 53.853 0.3 1 377 41 41 PHE CB C 39.571 0.3 1 378 41 41 PHE CD1 C 131.190 0.3 1 379 41 41 PHE CE1 C 120.810 0.3 1 380 41 41 PHE N N 116.752 0.3 1 381 42 42 PRO HA H 3.997 0.020 1 382 42 42 PRO HB2 H 1.671 0.020 1 383 42 42 PRO HB3 H 1.671 0.020 1 384 42 42 PRO HG2 H 1.810 0.020 1 385 42 42 PRO HG3 H 1.810 0.020 1 386 42 42 PRO HD2 H 3.539 0.020 1 387 42 42 PRO HD3 H 3.539 0.020 1 388 42 42 PRO C C 179.461 0.3 1 389 42 42 PRO CA C 66.249 0.3 1 390 42 42 PRO CB C 29.628 0.3 1 391 42 42 PRO CG C 27.088 0.3 1 392 42 42 PRO CD C 49.490 0.3 1 393 43 43 GLU H H 9.351 0.020 1 394 43 43 GLU HA H 4.525 0.020 1 395 43 43 GLU HB2 H 2.186 0.020 2 396 43 43 GLU HB3 H 2.349 0.020 2 397 43 43 GLU HG2 H 2.552 0.020 2 398 43 43 GLU HG3 H 2.490 0.020 2 399 43 43 GLU C C 177.812 0.3 1 400 43 43 GLU CA C 58.259 0.3 1 401 43 43 GLU CB C 27.375 0.3 1 402 43 43 GLU CG C 35.933 0.3 1 403 43 43 GLU N N 117.579 0.3 1 404 44 44 SER H H 8.433 0.020 1 405 44 44 SER HA H 4.702 0.020 1 406 44 44 SER HB2 H 4.190 0.020 2 407 44 44 SER HB3 H 4.346 0.020 2 408 44 44 SER C C 171.163 0.3 1 409 44 44 SER CA C 58.701 0.3 1 410 44 44 SER CB C 63.047 0.3 1 411 44 44 SER N N 117.548 0.3 1 412 45 45 PHE H H 7.986 0.020 1 413 45 45 PHE HA H 4.419 0.020 1 414 45 45 PHE HB2 H 2.863 0.020 1 415 45 45 PHE HB3 H 2.863 0.020 1 416 45 45 PHE HD2 H 7.319 0.020 1 417 45 45 PHE C C 174.237 0.3 1 418 45 45 PHE CA C 57.510 0.3 1 419 45 45 PHE CB C 39.864 0.3 1 420 45 45 PHE CD2 C 130.729 0.3 1 421 45 45 PHE N N 122.364 0.3 1 422 46 46 ASP H H 7.751 0.020 1 423 46 46 ASP HA H 4.705 0.020 1 424 46 46 ASP HB3 H 3.019 0.020 1 425 46 46 ASP C C 176.424 0.3 1 426 46 46 ASP CA C 53.041 0.3 1 427 46 46 ASP CB C 40.726 0.3 1 428 46 46 ASP N N 120.056 0.3 1 429 47 47 LEU H H 8.656 0.020 1 430 47 47 LEU HA H 4.057 0.020 1 431 47 47 LEU HB2 H 2.085 0.020 2 432 47 47 LEU HB3 H 1.634 0.020 2 433 47 47 LEU HG H 1.553 0.020 1 434 47 47 LEU HD1 H 0.968 0.020 1 435 47 47 LEU HD2 H 0.871 0.020 1 436 47 47 LEU C C 175.568 0.3 1 437 47 47 LEU CA C 55.476 0.3 1 438 47 47 LEU CB C 37.959 0.3 1 439 47 47 LEU CG C 26.895 0.3 1 440 47 47 LEU CD1 C 25.349 0.3 1 441 47 47 LEU CD2 C 22.740 0.3 1 442 47 47 LEU N N 116.082 0.3 1 443 48 48 GLN H H 7.413 0.020 1 444 48 48 GLN HA H 4.689 0.020 1 445 48 48 GLN HB2 H 2.019 0.020 1 446 48 48 GLN HB3 H 2.019 0.020 1 447 48 48 GLN HG2 H 2.254 0.020 1 448 48 48 GLN HG3 H 2.254 0.020 1 449 48 48 GLN HE21 H 6.790 0.020 1 450 48 48 GLN HE22 H 7.225 0.020 1 451 48 48 GLN C C 173.488 0.3 1 452 48 48 GLN CA C 52.335 0.3 1 453 48 48 GLN CB C 28.584 0.3 1 454 48 48 GLN CG C 32.966 0.3 1 455 48 48 GLN N N 117.432 0.3 1 456 48 48 GLN NE2 N 113.314 0.3 1 457 49 49 PRO HA H 4.061 0.020 1 458 49 49 PRO HB2 H 1.854 0.020 2 459 49 49 PRO HB3 H 2.404 0.020 2 460 49 49 PRO HG2 H 1.991 0.020 2 461 49 49 PRO HG3 H 1.904 0.020 2 462 49 49 PRO HD2 H 3.572 0.020 2 463 49 49 PRO HD3 H 3.738 0.020 2 464 49 49 PRO C C 176.166 0.3 1 465 49 49 PRO CA C 63.276 0.3 1 466 49 49 PRO CB C 33.135 0.3 1 467 49 49 PRO CG C 27.243 0.3 1 468 49 49 PRO CD C 50.592 0.3 1 469 50 50 ILE H H 7.953 0.020 1 470 50 50 ILE HA H 3.915 0.020 1 471 50 50 ILE HB H 1.294 0.020 1 472 50 50 ILE HG12 H 0.581 0.020 1 473 50 50 ILE HG13 H 0.581 0.020 1 474 50 50 ILE HG2 H 0.742 0.020 1 475 50 50 ILE HD1 H 0.712 0.020 1 476 50 50 ILE C C 174.387 0.3 1 477 50 50 ILE CA C 60.978 0.3 1 478 50 50 ILE CB C 42.391 0.3 1 479 50 50 ILE CG1 C 27.547 0.3 1 480 50 50 ILE CG2 C 17.490 0.3 1 481 50 50 ILE CD1 C 15.943 0.3 1 482 50 50 ILE N N 123.487 0.3 1 483 51 51 GLU H H 8.206 0.020 1 484 51 51 GLU HA H 4.068 0.020 1 485 51 51 GLU HB2 H 1.847 0.020 2 486 51 51 GLU HB3 H 1.667 0.020 2 487 51 51 GLU HG2 H 2.273 0.020 1 488 51 51 GLU HG3 H 2.273 0.020 1 489 51 51 GLU C C 175.595 0.3 1 490 51 51 GLU CA C 56.614 0.3 1 491 51 51 GLU CB C 30.006 0.3 1 492 51 51 GLU CG C 36.732 0.3 1 493 51 51 GLU N N 125.698 0.3 1 494 52 52 VAL H H 7.996 0.020 1 495 52 52 VAL HA H 3.416 0.020 1 496 52 52 VAL HB H 1.779 0.020 1 497 52 52 VAL HG1 H 0.633 0.020 1 498 52 52 VAL HG2 H 0.953 0.020 1 499 52 52 VAL C C 177.412 0.3 1 500 52 52 VAL CA C 64.478 0.3 1 501 52 52 VAL CB C 30.635 0.3 1 502 52 52 VAL CG1 C 20.957 0.3 1 503 52 52 VAL CG2 C 21.400 0.3 1 504 52 52 VAL N N 120.429 0.3 1 505 53 53 GLY H H 9.118 0.020 1 506 53 53 GLY HA2 H 3.546 0.020 2 507 53 53 GLY HA3 H 4.145 0.020 2 508 53 53 GLY C C 172.120 0.3 1 509 53 53 GLY CA C 44.619 0.3 1 510 53 53 GLY N N 116.942 0.3 1 511 54 54 LYS H H 7.892 0.020 1 512 54 54 LYS HA H 4.683 0.020 1 513 54 54 LYS HB2 H 2.065 0.020 2 514 54 54 LYS HB3 H 1.841 0.020 2 515 54 54 LYS HG2 H 1.130 0.020 1 516 54 54 LYS HG3 H 1.130 0.020 1 517 54 54 LYS HD2 H 1.531 0.020 1 518 54 54 LYS HD3 H 1.531 0.020 1 519 54 54 LYS HE2 H 2.858 0.020 1 520 54 54 LYS HE3 H 2.858 0.020 1 521 54 54 LYS C C 173.348 0.3 1 522 54 54 LYS CA C 53.199 0.3 1 523 54 54 LYS CB C 33.308 0.3 1 524 54 54 LYS CG C 25.785 0.3 1 525 54 54 LYS CD C 28.020 0.3 1 526 54 54 LYS CE C 42.616 0.3 1 527 54 54 LYS N N 118.331 0.3 1 528 55 55 ALA H H 7.607 0.020 1 529 55 55 ALA HA H 5.693 0.020 1 530 55 55 ALA HB H 0.954 0.020 1 531 55 55 ALA C C 176.574 0.3 1 532 55 55 ALA CA C 50.205 0.3 1 533 55 55 ALA CB C 23.273 0.3 1 534 55 55 ALA N N 115.440 0.3 1 535 56 56 ARG H H 8.796 0.020 1 536 56 56 ARG HA H 4.554 0.020 1 537 56 56 ARG HB2 H 1.632 0.020 1 538 56 56 ARG HB3 H 1.632 0.020 1 539 56 56 ARG HG2 H 1.316 0.020 1 540 56 56 ARG HG3 H 1.316 0.020 1 541 56 56 ARG HD2 H 3.121 0.020 1 542 56 56 ARG HD3 H 3.121 0.020 1 543 56 56 ARG C C 174.277 0.3 1 544 56 56 ARG CA C 55.803 0.3 1 545 56 56 ARG CB C 34.407 0.3 1 546 56 56 ARG CG C 28.952 0.3 1 547 56 56 ARG CD C 42.427 0.3 1 548 56 56 ARG N N 121.368 0.3 1 549 57 57 LEU H H 8.895 0.020 1 550 57 57 LEU HA H 4.821 0.020 1 551 57 57 LEU HB2 H 1.346 0.020 2 552 57 57 LEU HB3 H 1.950 0.020 2 553 57 57 LEU HG H 0.978 0.020 1 554 57 57 LEU HD1 H 0.805 0.020 1 555 57 57 LEU HD2 H 0.805 0.020 1 556 57 57 LEU C C 175.395 0.3 1 557 57 57 LEU CA C 54.359 0.3 1 558 57 57 LEU CB C 43.819 0.3 1 559 57 57 LEU CG C 26.840 0.3 1 560 57 57 LEU CD1 C 22.864 0.3 1 561 57 57 LEU CD2 C 22.517 0.3 1 562 57 57 LEU N N 130.906 0.3 1 563 58 58 VAL H H 9.288 0.020 1 564 58 58 VAL HA H 4.163 0.020 1 565 58 58 VAL HB H 2.259 0.020 1 566 58 58 VAL HG1 H 0.788 0.020 1 567 58 58 VAL HG2 H 0.840 0.020 1 568 58 58 VAL C C 175.106 0.3 1 569 58 58 VAL CA C 62.243 0.3 1 570 58 58 VAL CB C 33.583 0.3 1 571 58 58 VAL CG1 C 21.245 0.3 1 572 58 58 VAL CG2 C 21.409 0.3 1 573 58 58 VAL N N 129.336 0.3 1 574 59 59 LYS H H 8.689 0.020 1 575 59 59 LYS HA H 3.939 0.020 1 576 59 59 LYS HB2 H 1.025 0.020 2 577 59 59 LYS HB3 H 1.591 0.020 2 578 59 59 LYS HG2 H 0.201 0.020 1 579 59 59 LYS HG3 H 0.201 0.020 1 580 59 59 LYS HD2 H 1.507 0.020 1 581 59 59 LYS HD3 H 1.507 0.020 1 582 59 59 LYS HE2 H 2.860 0.020 1 583 59 59 LYS HE3 H 2.860 0.020 1 584 59 59 LYS C C 176.094 0.3 1 585 59 59 LYS CA C 55.708 0.3 1 586 59 59 LYS CB C 31.289 0.3 1 587 59 59 LYS CG C 24.365 0.3 1 588 59 59 LYS CD C 29.607 0.3 1 589 59 59 LYS CE C 41.944 0.3 1 590 59 59 LYS N N 129.322 0.3 1 591 60 60 GLY H H 7.386 0.020 1 592 60 60 GLY HA2 H 4.213 0.020 2 593 60 60 GLY HA3 H 3.955 0.020 2 594 60 60 GLY C C 173.598 0.3 1 595 60 60 GLY CA C 44.303 0.3 1 596 60 60 GLY N N 111.054 0.3 1 597 61 61 ALA H H 8.205 0.020 1 598 61 61 ALA HA H 4.004 0.020 1 599 61 61 ALA HB H 1.454 0.020 1 600 61 61 ALA C C 178.381 0.3 1 601 61 61 ALA CA C 54.675 0.3 1 602 61 61 ALA CB C 18.805 0.3 1 603 61 61 ALA N N 122.049 0.3 1 604 62 62 ALA H H 8.398 0.020 1 605 62 62 ALA HA H 4.540 0.020 1 606 62 62 ALA HB H 1.583 0.020 1 607 62 62 ALA C C 177.422 0.3 1 608 62 62 ALA CA C 52.694 0.3 1 609 62 62 ALA CB C 20.197 0.3 1 610 62 62 ALA N N 118.666 0.3 1 611 63 63 LYS H H 7.469 0.020 1 612 63 63 LYS HA H 4.229 0.020 1 613 63 63 LYS HB2 H 0.708 0.020 2 614 63 63 LYS HB3 H 0.633 0.020 2 615 63 63 LYS HG2 H 0.708 0.020 1 616 63 63 LYS HG3 H 0.708 0.020 1 617 63 63 LYS HD2 H 1.355 0.020 1 618 63 63 LYS HD3 H 1.355 0.020 1 619 63 63 LYS HE2 H 2.755 0.020 1 620 63 63 LYS HE3 H 2.755 0.020 1 621 63 63 LYS C C 175.455 0.3 1 622 63 63 LYS CA C 53.304 0.3 1 623 63 63 LYS CB C 33.894 0.3 1 624 63 63 LYS CG C 22.949 0.3 1 625 63 63 LYS CD C 26.639 0.3 1 626 63 63 LYS CE C 41.998 0.3 1 627 63 63 LYS N N 116.529 0.3 1 628 64 64 HIS H H 8.587 0.020 1 629 64 64 HIS HA H 5.206 0.020 1 630 64 64 HIS HB2 H 2.810 0.020 2 631 64 64 HIS HB3 H 3.198 0.020 2 632 64 64 HIS HD2 H 7.120 0.020 1 633 64 64 HIS HE1 H 4.978 0.020 1 634 64 64 HIS C C 173.688 0.3 1 635 64 64 HIS CA C 54.569 0.3 1 636 64 64 HIS CB C 31.239 0.3 1 637 64 64 HIS CD2 C 116.002 0.3 1 638 64 64 HIS CE1 C 138.578 0.3 1 639 64 64 HIS N N 129.082 0.3 1 640 65 65 ILE H H 8.395 0.020 1 641 65 65 ILE HA H 5.180 0.020 1 642 65 65 ILE HB H 1.437 0.020 1 643 65 65 ILE HG12 H 0.815 0.020 2 644 65 65 ILE HG13 H 1.318 0.020 2 645 65 65 ILE HG2 H -0.262 0.020 1 646 65 65 ILE HD1 H 0.696 0.020 1 647 65 65 ILE C C 175.235 0.3 1 648 65 65 ILE CA C 58.427 0.3 1 649 65 65 ILE CB C 40.853 0.3 1 650 65 65 ILE CG1 C 27.333 0.3 1 651 65 65 ILE CG2 C 15.109 0.3 1 652 65 65 ILE CD1 C 13.728 0.3 1 653 65 65 ILE N N 122.172 0.3 1 654 66 66 ILE H H 8.404 0.020 1 655 66 66 ILE HA H 4.228 0.020 1 656 66 66 ILE HB H 1.587 0.020 1 657 66 66 ILE HG12 H 1.586 0.020 1 658 66 66 ILE HG13 H 1.586 0.020 1 659 66 66 ILE HG2 H 0.684 0.020 1 660 66 66 ILE HD1 H 0.738 0.020 1 661 66 66 ILE C C 173.842 0.3 1 662 66 66 ILE CA C 60.251 0.3 1 663 66 66 ILE CB C 39.003 0.3 1 664 66 66 ILE CG1 C 28.904 0.3 1 665 66 66 ILE CG2 C 19.421 0.3 1 666 66 66 ILE CD1 C 14.250 0.3 1 667 66 66 ILE N N 126.559 0.3 1 668 67 67 HIS H H 9.016 0.020 1 669 67 67 HIS HA H 4.306 0.020 1 670 67 67 HIS HB2 H 2.501 0.020 2 671 67 67 HIS HB3 H 3.131 0.020 2 672 67 67 HIS C C 172.919 0.3 1 673 67 67 HIS CA C 55.876 0.3 1 674 67 67 HIS CB C 31.726 0.3 1 675 67 67 HIS N N 130.873 0.3 1 676 68 68 ALA H H 8.601 0.020 1 677 68 68 ALA HA H 5.174 0.020 1 678 68 68 ALA HB H 1.085 0.020 1 679 68 68 ALA C C 173.827 0.3 1 680 68 68 ALA CA C 50.079 0.3 1 681 68 68 ALA CB C 23.542 0.3 1 682 68 68 ALA N N 129.293 0.3 1 683 69 69 VAL H H 7.550 0.020 1 684 69 69 VAL HA H 4.308 0.020 1 685 69 69 VAL HB H 2.007 0.020 1 686 69 69 VAL HG1 H 0.410 0.020 1 687 69 69 VAL HG2 H 0.410 0.020 1 688 69 69 VAL C C 176.314 0.3 1 689 69 69 VAL CA C 60.620 0.3 1 690 69 69 VAL CB C 31.301 0.3 1 691 69 69 VAL CG1 C 22.520 0.3 1 692 69 69 VAL CG2 C 22.820 0.3 1 693 69 69 VAL N N 121.364 0.3 1 694 70 70 GLY H H 8.843 0.020 1 695 70 70 GLY HA2 H 4.007 0.020 1 696 70 70 GLY HA3 H 4.007 0.020 1 697 70 70 GLY CA C 43.080 0.3 1 698 70 70 GLY N N 115.153 0.3 1 699 71 71 PRO HA H 3.865 0.020 1 700 71 71 PRO HB2 H 2.250 0.020 1 701 71 71 PRO HB3 H 2.250 0.020 1 702 71 71 PRO HG2 H 1.571 0.020 1 703 71 71 PRO HG3 H 1.571 0.020 1 704 71 71 PRO HD2 H 2.649 0.020 1 705 71 71 PRO HD3 H 2.649 0.020 1 706 71 71 PRO C C 175.566 0.3 1 707 71 71 PRO CA C 61.231 0.3 1 708 71 71 PRO CB C 31.874 0.3 1 709 71 71 PRO CG C 26.988 0.3 1 710 71 71 PRO CD C 48.264 0.3 1 711 72 72 ASN H H 7.729 0.020 1 712 72 72 ASN HA H 4.282 0.020 1 713 72 72 ASN HB2 H 0.892 0.020 1 714 72 72 ASN HB3 H 0.892 0.020 1 715 72 72 ASN C C 177.293 0.3 1 716 72 72 ASN CA C 50.395 0.3 1 717 72 72 ASN CB C 36.421 0.3 1 718 72 72 ASN N N 115.273 0.3 1 719 73 73 PHE H H 8.932 0.020 1 720 73 73 PHE HA H 4.252 0.020 1 721 73 73 PHE HB2 H 2.857 0.020 1 722 73 73 PHE HB3 H 2.857 0.020 1 723 73 73 PHE HD1 H 7.439 0.020 3 724 73 73 PHE HD2 H 7.332 0.020 3 725 73 73 PHE C C 175.915 0.3 1 726 73 73 PHE CA C 61.927 0.3 1 727 73 73 PHE CB C 37.483 0.3 1 728 73 73 PHE CD1 C 132.256 0.3 1 729 73 73 PHE CD2 C 131.376 0.3 1 730 73 73 PHE N N 123.707 0.3 1 731 74 74 ASN H H 7.954 0.020 1 732 74 74 ASN HA H 4.630 0.020 1 733 74 74 ASN HB2 H 2.719 0.020 1 734 74 74 ASN HB3 H 2.719 0.020 1 735 74 74 ASN C C 175.705 0.3 1 736 74 74 ASN CA C 55.898 0.3 1 737 74 74 ASN CB C 39.531 0.3 1 738 74 74 ASN N N 114.738 0.3 1 739 75 75 LYS H H 7.949 0.020 1 740 75 75 LYS HA H 4.524 0.020 1 741 75 75 LYS HB2 H 1.601 0.020 2 742 75 75 LYS HB3 H 1.933 0.020 2 743 75 75 LYS HG2 H 1.288 0.020 1 744 75 75 LYS HG3 H 1.288 0.020 1 745 75 75 LYS HD2 H 1.616 0.020 1 746 75 75 LYS HD3 H 1.616 0.020 1 747 75 75 LYS HE2 H 2.873 0.020 1 748 75 75 LYS HE3 H 2.873 0.020 1 749 75 75 LYS C C 175.610 0.3 1 750 75 75 LYS CA C 55.950 0.3 1 751 75 75 LYS CB C 35.432 0.3 1 752 75 75 LYS CG C 24.452 0.3 1 753 75 75 LYS CD C 28.384 0.3 1 754 75 75 LYS CE C 41.992 0.3 1 755 75 75 LYS N N 116.595 0.3 1 756 76 76 VAL H H 7.315 0.020 1 757 76 76 VAL HA H 4.549 0.020 1 758 76 76 VAL HB H 1.968 0.020 1 759 76 76 VAL HG1 H 0.608 0.020 1 760 76 76 VAL HG2 H 0.702 0.020 1 761 76 76 VAL C C 174.337 0.3 1 762 76 76 VAL CA C 59.692 0.3 1 763 76 76 VAL CB C 34.883 0.3 1 764 76 76 VAL CG1 C 19.375 0.3 1 765 76 76 VAL CG2 C 21.054 0.3 1 766 76 76 VAL N N 116.417 0.3 1 767 77 77 SER H H 8.326 0.020 1 768 77 77 SER HA H 4.512 0.020 1 769 77 77 SER HB2 H 4.061 0.020 1 770 77 77 SER HB3 H 4.061 0.020 1 771 77 77 SER C C 174.966 0.3 1 772 77 77 SER CA C 57.479 0.3 1 773 77 77 SER CB C 64.859 0.3 1 774 77 77 SER N N 118.142 0.3 1 775 78 78 GLU H H 8.751 0.020 1 776 78 78 GLU HA H 4.228 0.020 1 777 78 78 GLU HB2 H 2.227 0.020 2 778 78 78 GLU HB3 H 2.087 0.020 2 779 78 78 GLU HG2 H 2.528 0.020 1 780 78 78 GLU HG3 H 2.528 0.020 1 781 78 78 GLU C C 180.348 0.3 1 782 78 78 GLU CA C 59.882 0.3 1 783 78 78 GLU CB C 28.730 0.3 1 784 78 78 GLU CG C 35.344 0.3 1 785 78 78 GLU N N 120.254 0.3 1 786 79 79 VAL H H 8.170 0.020 1 787 79 79 VAL HA H 3.922 0.020 1 788 79 79 VAL HB H 2.015 0.020 1 789 79 79 VAL HG1 H 1.001 0.020 1 790 79 79 VAL HG2 H 1.001 0.020 1 791 79 79 VAL C C 178.361 0.3 1 792 79 79 VAL CA C 65.975 0.3 1 793 79 79 VAL CB C 31.843 0.3 1 794 79 79 VAL CG1 C 20.636 0.3 1 795 79 79 VAL CG2 C 20.895 0.3 1 796 79 79 VAL N N 119.385 0.3 1 797 80 80 GLU H H 7.545 0.020 1 798 80 80 GLU HA H 4.010 0.020 1 799 80 80 GLU HB2 H 1.955 0.020 2 800 80 80 GLU HB3 H 1.860 0.020 2 801 80 80 GLU HG2 H 2.121 0.020 2 802 80 80 GLU HG3 H 2.210 0.020 2 803 80 80 GLU C C 179.360 0.3 1 804 80 80 GLU CA C 58.849 0.3 1 805 80 80 GLU CB C 29.536 0.3 1 806 80 80 GLU CG C 36.188 0.3 1 807 80 80 GLU N N 121.920 0.3 1 808 81 81 GLY H H 8.860 0.020 1 809 81 81 GLY HA2 H 3.418 0.020 1 810 81 81 GLY HA3 H 3.418 0.020 1 811 81 81 GLY C C 175.457 0.3 1 812 81 81 GLY CA C 47.405 0.3 1 813 81 81 GLY N N 106.911 0.3 1 814 82 82 ASP H H 8.205 0.020 1 815 82 82 ASP HA H 4.525 0.020 1 816 82 82 ASP HB2 H 2.778 0.020 2 817 82 82 ASP HB3 H 2.914 0.020 2 818 82 82 ASP C C 177.293 0.3 1 819 82 82 ASP CA C 59.481 0.3 1 820 82 82 ASP CB C 42.318 0.3 1 821 82 82 ASP N N 121.616 0.3 1 822 83 83 LYS H H 6.893 0.020 1 823 83 83 LYS HA H 4.073 0.020 1 824 83 83 LYS HB2 H 1.983 0.020 1 825 83 83 LYS HB3 H 1.983 0.020 1 826 83 83 LYS HG2 H 1.616 0.020 1 827 83 83 LYS HG3 H 1.616 0.020 1 828 83 83 LYS HD2 H 1.720 0.020 1 829 83 83 LYS HD3 H 1.720 0.020 1 830 83 83 LYS HE2 H 2.903 0.020 1 831 83 83 LYS HE3 H 2.903 0.020 1 832 83 83 LYS C C 179.220 0.3 1 833 83 83 LYS CA C 59.071 0.3 1 834 83 83 LYS CB C 32.287 0.3 1 835 83 83 LYS CG C 24.731 0.3 1 836 83 83 LYS CD C 29.051 0.3 1 837 83 83 LYS CE C 42.012 0.3 1 838 83 83 LYS N N 116.451 0.3 1 839 84 84 GLN H H 7.666 0.020 1 840 84 84 GLN HA H 4.040 0.020 1 841 84 84 GLN HB2 H 1.480 0.020 1 842 84 84 GLN HB3 H 1.480 0.020 1 843 84 84 GLN HG2 H 2.285 0.020 1 844 84 84 GLN HG3 H 2.285 0.020 1 845 84 84 GLN C C 177.502 0.3 1 846 84 84 GLN CA C 58.596 0.3 1 847 84 84 GLN CB C 28.401 0.3 1 848 84 84 GLN CG C 33.569 0.3 1 849 84 84 GLN N N 119.165 0.3 1 850 85 85 LEU H H 8.326 0.020 1 851 85 85 LEU HA H 3.918 0.020 1 852 85 85 LEU HB2 H 2.219 0.020 1 853 85 85 LEU HB3 H 2.219 0.020 1 854 85 85 LEU HG H 1.289 0.020 1 855 85 85 LEU HD1 H 1.199 0.020 1 856 85 85 LEU HD2 H 1.199 0.020 1 857 85 85 LEU C C 177.323 0.3 1 858 85 85 LEU CA C 57.205 0.3 1 859 85 85 LEU CB C 41.951 0.3 1 860 85 85 LEU CG C 26.328 0.3 1 861 85 85 LEU CD1 C 23.790 0.3 1 862 85 85 LEU CD2 C 24.083 0.3 1 863 85 85 LEU N N 121.950 0.3 1 864 86 86 ALA H H 7.224 0.020 1 865 86 86 ALA HA H 3.826 0.020 1 866 86 86 ALA HB H 1.183 0.020 1 867 86 86 ALA C C 180.808 0.3 1 868 86 86 ALA CA C 55.718 0.3 1 869 86 86 ALA CB C 17.853 0.3 1 870 86 86 ALA N N 121.073 0.3 1 871 87 87 GLU H H 7.917 0.020 1 872 87 87 GLU HA H 3.877 0.020 1 873 87 87 GLU HB2 H 2.056 0.020 2 874 87 87 GLU HB3 H 2.238 0.020 2 875 87 87 GLU HG2 H 2.405 0.020 1 876 87 87 GLU HG3 H 2.405 0.020 1 877 87 87 GLU C C 178.501 0.3 1 878 87 87 GLU CA C 59.429 0.3 1 879 87 87 GLU CB C 29.133 0.3 1 880 87 87 GLU CG C 36.145 0.3 1 881 87 87 GLU N N 118.526 0.3 1 882 88 88 ALA H H 8.257 0.020 1 883 88 88 ALA HA H 3.732 0.020 1 884 88 88 ALA HB H 1.093 0.020 1 885 88 88 ALA C C 180.234 0.3 1 886 88 88 ALA CA C 55.434 0.3 1 887 88 88 ALA CB C 17.377 0.3 1 888 88 88 ALA N N 123.735 0.3 1 889 89 89 TYR H H 7.327 0.020 1 890 89 89 TYR HA H 4.335 0.020 1 891 89 89 TYR HB2 H 2.666 0.020 2 892 89 89 TYR HB3 H 3.015 0.020 2 893 89 89 TYR HD1 H 6.895 0.020 1 894 89 89 TYR HE1 H 6.868 0.020 1 895 89 89 TYR C C 178.531 0.3 1 896 89 89 TYR CA C 62.517 0.3 1 897 89 89 TYR CB C 38.728 0.3 1 898 89 89 TYR CD1 C 127.880 0.3 1 899 89 89 TYR N N 113.524 0.3 1 900 90 90 GLU H H 8.326 0.020 1 901 90 90 GLU HA H 3.977 0.020 1 902 90 90 GLU HB2 H 2.180 0.020 2 903 90 90 GLU HB3 H 2.307 0.020 2 904 90 90 GLU HG2 H 2.296 0.020 1 905 90 90 GLU HG3 H 2.296 0.020 1 906 90 90 GLU C C 179.969 0.3 1 907 90 90 GLU CA C 60.304 0.3 1 908 90 90 GLU CB C 29.060 0.3 1 909 90 90 GLU CG C 36.028 0.3 1 910 90 90 GLU N N 123.027 0.3 1 911 91 91 SER H H 9.142 0.020 1 912 91 91 SER HA H 4.252 0.020 1 913 91 91 SER HB2 H 3.882 0.020 1 914 91 91 SER HB3 H 3.882 0.020 1 915 91 91 SER C C 177.150 0.3 1 916 91 91 SER CA C 62.075 0.3 1 917 91 91 SER CB C 62.193 0.3 1 918 91 91 SER N N 118.960 0.3 1 919 92 92 ILE H H 7.652 0.020 1 920 92 92 ILE HA H 3.339 0.020 1 921 92 92 ILE HB H 2.236 0.020 1 922 92 92 ILE HG12 H 0.642 0.020 2 923 92 92 ILE HG13 H 1.781 0.020 2 924 92 92 ILE HG2 H 0.816 0.020 1 925 92 92 ILE HD1 H 0.786 0.020 1 926 92 92 ILE C C 176.773 0.3 1 927 92 92 ILE CA C 65.964 0.3 1 928 92 92 ILE CB C 38.326 0.3 1 929 92 92 ILE CG1 C 28.997 0.3 1 930 92 92 ILE CG2 C 17.198 0.3 1 931 92 92 ILE CD1 C 16.347 0.3 1 932 92 92 ILE N N 122.788 0.3 1 933 93 93 ALA H H 8.294 0.020 1 934 93 93 ALA HA H 3.668 0.020 1 935 93 93 ALA HB H 1.323 0.020 1 936 93 93 ALA C C 178.091 0.3 1 937 93 93 ALA CA C 55.729 0.3 1 938 93 93 ALA CB C 18.476 0.3 1 939 93 93 ALA N N 122.061 0.3 1 940 94 94 LYS H H 7.899 0.020 1 941 94 94 LYS HA H 4.086 0.020 1 942 94 94 LYS HB2 H 1.916 0.020 1 943 94 94 LYS HB3 H 1.916 0.020 1 944 94 94 LYS HG2 H 1.473 0.020 1 945 94 94 LYS HG3 H 1.473 0.020 1 946 94 94 LYS HD2 H 1.445 0.020 1 947 94 94 LYS HD3 H 1.445 0.020 1 948 94 94 LYS HE2 H 3.045 0.020 1 949 94 94 LYS HE3 H 3.045 0.020 1 950 94 94 LYS C C 178.131 0.3 1 951 94 94 LYS CA C 59.576 0.3 1 952 94 94 LYS CB C 32.283 0.3 1 953 94 94 LYS CG C 28.981 0.3 1 954 94 94 LYS CD C 24.835 0.3 1 955 94 94 LYS CE C 42.077 0.3 1 956 94 94 LYS N N 117.458 0.3 1 957 95 95 ILE H H 7.133 0.020 1 958 95 95 ILE HA H 3.821 0.020 1 959 95 95 ILE HB H 1.935 0.020 1 960 95 95 ILE HG12 H 1.943 0.020 1 961 95 95 ILE HG13 H 1.943 0.020 1 962 95 95 ILE HG2 H 1.040 0.020 1 963 95 95 ILE HD1 H 0.756 0.020 1 964 95 95 ILE C C 179.829 0.3 1 965 95 95 ILE CA C 65.542 0.3 1 966 95 95 ILE CB C 38.490 0.3 1 967 95 95 ILE CG1 C 29.483 0.3 1 968 95 95 ILE CG2 C 19.430 0.3 1 969 95 95 ILE CD1 C 15.028 0.3 1 970 95 95 ILE N N 119.226 0.3 1 971 96 96 VAL H H 8.448 0.020 1 972 96 96 VAL HA H 3.766 0.020 1 973 96 96 VAL HB H 2.338 0.020 1 974 96 96 VAL HG1 H 1.028 0.020 1 975 96 96 VAL HG2 H 0.917 0.020 1 976 96 96 VAL C C 177.562 0.3 1 977 96 96 VAL CA C 67.809 0.3 1 978 96 96 VAL CB C 31.550 0.3 1 979 96 96 VAL CG1 C 21.330 0.3 1 980 96 96 VAL CG2 C 23.442 0.3 1 981 96 96 VAL N N 123.002 0.3 1 982 97 97 ASN H H 8.404 0.020 1 983 97 97 ASN HA H 4.597 0.020 1 984 97 97 ASN HB2 H 2.829 0.020 1 985 97 97 ASN HB3 H 2.829 0.020 1 986 97 97 ASN C C 179.040 0.3 1 987 97 97 ASN CA C 55.847 0.3 1 988 97 97 ASN CB C 38.106 0.3 1 989 97 97 ASN N N 118.212 0.3 1 990 98 98 ASP H H 8.975 0.020 1 991 98 98 ASP HA H 4.354 0.020 1 992 98 98 ASP HB2 H 2.558 0.020 2 993 98 98 ASP HB3 H 2.693 0.020 2 994 98 98 ASP C C 177.432 0.3 1 995 98 98 ASP CA C 57.068 0.3 1 996 98 98 ASP CB C 40.287 0.3 1 997 98 98 ASP N N 121.541 0.3 1 998 99 99 ASN H H 7.325 0.020 1 999 99 99 ASN HA H 4.488 0.020 1 1000 99 99 ASN HB2 H 2.026 0.020 2 1001 99 99 ASN HB3 H 1.906 0.020 2 1002 99 99 ASN C C 172.719 0.3 1 1003 99 99 ASN CA C 53.326 0.3 1 1004 99 99 ASN CB C 40.386 0.3 1 1005 99 99 ASN N N 113.861 0.3 1 1006 100 100 ASN H H 7.737 0.020 1 1007 100 100 ASN HA H 4.415 0.020 1 1008 100 100 ASN HB2 H 2.991 0.020 2 1009 100 100 ASN HB3 H 2.609 0.020 2 1010 100 100 ASN C C 174.826 0.3 1 1011 100 100 ASN CA C 54.232 0.3 1 1012 100 100 ASN CB C 37.479 0.3 1 1013 100 100 ASN N N 117.891 0.3 1 1014 101 101 TYR H H 7.631 0.020 1 1015 101 101 TYR HA H 4.601 0.020 1 1016 101 101 TYR HB2 H 2.938 0.020 2 1017 101 101 TYR HB3 H 2.605 0.020 2 1018 101 101 TYR HD1 H 7.015 0.020 1 1019 101 101 TYR HE1 H 6.742 0.020 1 1020 101 101 TYR C C 176.793 0.3 1 1021 101 101 TYR CA C 58.724 0.3 1 1022 101 101 TYR CB C 38.765 0.3 1 1023 101 101 TYR CD1 C 131.972 0.3 1 1024 101 101 TYR CE1 C 119.558 0.3 1 1025 101 101 TYR N N 116.454 0.3 1 1026 102 102 LYS H H 8.709 0.020 1 1027 102 102 LYS HA H 4.406 0.020 1 1028 102 102 LYS HB2 H 1.834 0.020 2 1029 102 102 LYS HB3 H 2.059 0.020 2 1030 102 102 LYS HG2 H 1.509 0.020 2 1031 102 102 LYS HG3 H 1.561 0.020 2 1032 102 102 LYS HD2 H 1.612 0.020 1 1033 102 102 LYS HD3 H 1.612 0.020 1 1034 102 102 LYS HE2 H 2.976 0.020 1 1035 102 102 LYS HE3 H 2.976 0.020 1 1036 102 102 LYS C C 176.933 0.3 1 1037 102 102 LYS CA C 55.413 0.3 1 1038 102 102 LYS CB C 32.832 0.3 1 1039 102 102 LYS CG C 24.168 0.3 1 1040 102 102 LYS CD C 27.790 0.3 1 1041 102 102 LYS CE C 42.157 0.3 1 1042 102 102 LYS N N 120.836 0.3 1 1043 103 103 SER H H 7.790 0.020 1 1044 103 103 SER HA H 5.461 0.020 1 1045 103 103 SER HB2 H 4.395 0.020 1 1046 103 103 SER HB3 H 4.395 0.020 1 1047 103 103 SER C C 173.268 0.3 1 1048 103 103 SER CA C 56.827 0.3 1 1049 103 103 SER CB C 64.768 0.3 1 1050 103 103 SER N N 114.905 0.3 1 1051 104 104 VAL H H 8.246 0.020 1 1052 104 104 VAL HA H 4.744 0.020 1 1053 104 104 VAL HB H 1.713 0.020 1 1054 104 104 VAL HG1 H 0.591 0.020 1 1055 104 104 VAL HG2 H 0.651 0.020 1 1056 104 104 VAL C C 172.759 0.3 1 1057 104 104 VAL CA C 59.576 0.3 1 1058 104 104 VAL CB C 36.678 0.3 1 1059 104 104 VAL CG1 C 21.288 0.3 1 1060 104 104 VAL CG2 C 20.937 0.3 1 1061 104 104 VAL N N 121.009 0.3 1 1062 105 105 ALA H H 8.396 0.020 1 1063 105 105 ALA HA H 5.761 0.020 1 1064 105 105 ALA HB H 1.441 0.020 1 1065 105 105 ALA C C 175.385 0.3 1 1066 105 105 ALA CA C 50.437 0.3 1 1067 105 105 ALA CB C 21.463 0.3 1 1068 105 105 ALA N N 129.842 0.3 1 1069 106 106 ILE H H 9.562 0.020 1 1070 106 106 ILE HA H 5.192 0.020 1 1071 106 106 ILE HB H 1.569 0.020 1 1072 106 106 ILE HG12 H 1.951 0.020 1 1073 106 106 ILE HG13 H 1.951 0.020 1 1074 106 106 ILE HG2 H 1.110 0.020 1 1075 106 106 ILE HD1 H 1.066 0.020 1 1076 106 106 ILE C C 171.151 0.3 1 1077 106 106 ILE CA C 56.909 0.3 1 1078 106 106 ILE CB C 45.486 0.3 1 1079 106 106 ILE CG1 C 27.405 0.3 1 1080 106 106 ILE CG2 C 16.285 0.3 1 1081 106 106 ILE CD1 C 15.971 0.3 1 1082 106 106 ILE N N 123.805 0.3 1 1083 107 107 PRO HA H 5.466 0.020 1 1084 107 107 PRO HB2 H 1.704 0.020 1 1085 107 107 PRO HB3 H 1.704 0.020 1 1086 107 107 PRO HG2 H 1.607 0.020 1 1087 107 107 PRO HG3 H 1.607 0.020 1 1088 107 107 PRO HD2 H 3.531 0.020 1 1089 107 107 PRO HD3 H 3.531 0.020 1 1090 107 107 PRO C C 173.189 0.3 1 1091 107 107 PRO CA C 61.063 0.3 1 1092 107 107 PRO CB C 32.654 0.3 1 1093 107 107 PRO CG C 24.937 0.3 1 1094 107 107 PRO CD C 50.049 0.3 1 1095 108 108 LEU H H 8.355 0.020 1 1096 108 108 LEU HA H 4.852 0.020 1 1097 108 108 LEU HB2 H 1.423 0.020 1 1098 108 108 LEU HB3 H 1.423 0.020 1 1099 108 108 LEU HG H 1.803 0.020 1 1100 108 108 LEU HD1 H 0.914 0.020 1 1101 108 108 LEU HD2 H 0.914 0.020 1 1102 108 108 LEU C C 177.392 0.3 1 1103 108 108 LEU CA C 53.494 0.3 1 1104 108 108 LEU CB C 41.365 0.3 1 1105 108 108 LEU CG C 27.255 0.3 1 1106 108 108 LEU CD1 C 25.702 0.3 1 1107 108 108 LEU CD2 C 24.385 0.3 1 1108 108 108 LEU N N 114.872 0.3 1 1109 109 109 LEU H H 7.857 0.020 1 1110 109 109 LEU HA H 3.852 0.020 1 1111 109 109 LEU HB2 H 1.416 0.020 1 1112 109 109 LEU HB3 H 1.416 0.020 1 1113 109 109 LEU HG H 1.511 0.020 1 1114 109 109 LEU HD1 H 0.574 0.020 1 1115 109 109 LEU HD2 H 0.140 0.020 1 1116 109 109 LEU CA C 56.741 0.3 1 1117 109 109 LEU CB C 42.557 0.3 1 1118 109 109 LEU CG C 27.305 0.3 1 1119 109 109 LEU CD1 C 22.650 0.3 1 1120 109 109 LEU CD2 C 24.693 0.3 1 1121 109 109 LEU N N 128.802 0.3 1 1122 110 110 SER H H 10.194 0.020 1 1123 110 110 SER HA H 4.494 0.020 1 1124 110 110 SER HB2 H 3.676 0.020 1 1125 110 110 SER HB3 H 3.676 0.020 1 1126 110 110 SER CA C 61.526 0.3 1 1127 110 110 SER CB C 60.042 0.3 1 1128 110 110 SER N N 115.245 0.3 1 1129 111 111 THR H H 7.034 0.020 1 1130 111 111 THR HA H 4.965 0.020 1 1131 111 111 THR HB H 5.096 0.020 1 1132 111 111 THR HG2 H 1.297 0.020 1 1133 111 111 THR CA C 60.599 0.3 1 1134 111 111 THR CB C 70.821 0.3 1 1135 111 111 THR CG2 C 22.481 0.3 1 1136 111 111 THR N N 106.779 0.3 1 1137 112 112 GLY H H 9.818 0.020 1 1138 112 112 GLY HA2 H 4.291 0.020 1 1139 112 112 GLY HA3 H 4.291 0.020 1 1140 112 112 GLY CA C 45.209 0.3 1 1141 112 112 GLY N N 119.276 0.3 1 1142 113 113 ILE HA H 3.823 0.020 1 1143 113 113 ILE HB H 2.295 0.020 1 1144 113 113 ILE HG12 H 1.802 0.020 2 1145 113 113 ILE HG13 H 1.193 0.020 2 1146 113 113 ILE HG2 H 0.999 0.020 1 1147 113 113 ILE HD1 H 1.048 0.020 1 1148 113 113 ILE C C 178.462 0.3 1 1149 113 113 ILE CA C 65.680 0.3 1 1150 113 113 ILE CB C 36.780 0.3 1 1151 113 113 ILE CG1 C 31.741 0.3 1 1152 113 113 ILE CG2 C 17.616 0.3 1 1153 113 113 ILE CD1 C 13.027 0.3 1 1154 114 114 PHE H H 9.262 0.020 1 1155 114 114 PHE HA H 5.243 0.020 1 1156 114 114 PHE HB2 H 3.102 0.020 1 1157 114 114 PHE HB3 H 3.102 0.020 1 1158 114 114 PHE C C 177.064 0.3 1 1159 114 114 PHE CA C 53.326 0.3 1 1160 114 114 PHE CB C 37.264 0.3 1 1161 114 114 PHE N N 121.752 0.3 1 1162 115 115 SER H H 8.225 0.020 1 1163 115 115 SER HA H 4.547 0.020 1 1164 115 115 SER HB2 H 3.968 0.020 1 1165 115 115 SER HB3 H 3.968 0.020 1 1166 115 115 SER C C 178.151 0.3 1 1167 115 115 SER CA C 61.779 0.3 1 1168 115 115 SER CB C 65.732 0.3 1 1169 115 115 SER N N 114.605 0.3 1 1170 116 116 GLY H H 8.577 0.020 1 1171 116 116 GLY HA2 H 3.926 0.020 2 1172 116 116 GLY HA3 H 3.796 0.020 2 1173 116 116 GLY C C 174.836 0.3 1 1174 116 116 GLY CA C 46.347 0.3 1 1175 116 116 GLY N N 113.227 0.3 1 1176 117 117 ASN H H 8.279 0.020 1 1177 117 117 ASN HA H 4.366 0.020 1 1178 117 117 ASN HB2 H 3.109 0.020 2 1179 117 117 ASN HB3 H 2.913 0.020 2 1180 117 117 ASN C C 173.498 0.3 1 1181 117 117 ASN CA C 54.063 0.3 1 1182 117 117 ASN CB C 36.971 0.3 1 1183 117 117 ASN N N 114.845 0.3 1 1184 118 118 LYS H H 6.807 0.020 1 1185 118 118 LYS HA H 4.552 0.020 1 1186 118 118 LYS HB2 H 1.618 0.020 2 1187 118 118 LYS HB3 H 1.481 0.020 2 1188 118 118 LYS HG2 H 1.389 0.020 2 1189 118 118 LYS HG3 H 1.303 0.020 2 1190 118 118 LYS HD2 H 1.577 0.020 1 1191 118 118 LYS HD3 H 1.577 0.020 1 1192 118 118 LYS HE2 H 2.902 0.020 1 1193 118 118 LYS HE3 H 2.902 0.020 1 1194 118 118 LYS C C 175.076 0.3 1 1195 118 118 LYS CA C 54.548 0.3 1 1196 118 118 LYS CB C 35.872 0.3 1 1197 118 118 LYS CG C 24.939 0.3 1 1198 118 118 LYS CD C 28.741 0.3 1 1199 118 118 LYS CE C 42.194 0.3 1 1200 118 118 LYS N N 117.684 0.3 1 1201 119 119 ASP H H 8.494 0.020 1 1202 119 119 ASP HA H 4.547 0.020 1 1203 119 119 ASP HB2 H 2.718 0.020 2 1204 119 119 ASP HB3 H 2.921 0.020 2 1205 119 119 ASP C C 176.584 0.3 1 1206 119 119 ASP CA C 54.422 0.3 1 1207 119 119 ASP CB C 40.578 0.3 1 1208 119 119 ASP N N 123.769 0.3 1 1209 120 120 ARG H H 8.460 0.020 1 1210 120 120 ARG HA H 4.900 0.020 1 1211 120 120 ARG HB2 H 2.073 0.020 1 1212 120 120 ARG HB3 H 2.073 0.020 1 1213 120 120 ARG HG2 H 1.497 0.020 1 1214 120 120 ARG HG3 H 1.497 0.020 1 1215 120 120 ARG HD2 H 2.438 0.020 1 1216 120 120 ARG HD3 H 2.438 0.020 1 1217 120 120 ARG C C 175.425 0.3 1 1218 120 120 ARG CA C 54.525 0.3 1 1219 120 120 ARG CB C 30.250 0.3 1 1220 120 120 ARG CG C 28.734 0.3 1 1221 120 120 ARG CD C 42.433 0.3 1 1222 120 120 ARG N N 126.881 0.3 1 1223 121 121 LEU H H 7.940 0.020 1 1224 121 121 LEU HA H 3.457 0.020 1 1225 121 121 LEU HB2 H 0.426 0.020 2 1226 121 121 LEU HB3 H 1.226 0.020 2 1227 121 121 LEU HG H 0.990 0.020 1 1228 121 121 LEU HD1 H 0.090 0.020 1 1229 121 121 LEU HD2 H 0.362 0.020 1 1230 121 121 LEU C C 177.912 0.3 1 1231 121 121 LEU CA C 61.063 0.3 1 1232 121 121 LEU CB C 40.926 0.3 1 1233 121 121 LEU CG C 27.498 0.3 1 1234 121 121 LEU CD1 C 25.386 0.3 1 1235 121 121 LEU CD2 C 23.753 0.3 1 1236 121 121 LEU N N 124.176 0.3 1 1237 122 122 THR H H 8.371 0.020 1 1238 122 122 THR HA H 3.446 0.020 1 1239 122 122 THR HB H 4.022 0.020 1 1240 122 122 THR HG2 H 1.252 0.020 1 1241 122 122 THR C C 175.636 0.3 1 1242 122 122 THR CA C 66.818 0.3 1 1243 122 122 THR CB C 68.637 0.3 1 1244 122 122 THR CG2 C 22.025 0.3 1 1245 122 122 THR N N 114.231 0.3 1 1246 123 123 GLN H H 7.733 0.020 1 1247 123 123 GLN HA H 3.891 0.020 1 1248 123 123 GLN HB2 H 1.966 0.020 1 1249 123 123 GLN HB3 H 1.966 0.020 1 1250 123 123 GLN HG2 H 2.522 0.020 1 1251 123 123 GLN HG3 H 2.522 0.020 1 1252 123 123 GLN C C 177.762 0.3 1 1253 123 123 GLN CA C 58.027 0.3 1 1254 123 123 GLN CB C 28.218 0.3 1 1255 123 123 GLN CG C 32.266 0.3 1 1256 123 123 GLN N N 123.205 0.3 1 1257 124 124 SER H H 8.547 0.020 1 1258 124 124 SER HA H 4.402 0.020 1 1259 124 124 SER HB2 H 3.981 0.020 1 1260 124 124 SER HB3 H 3.981 0.020 1 1261 124 124 SER C C 176.554 0.3 1 1262 124 124 SER CA C 61.822 0.3 1 1263 124 124 SER CB C 65.061 0.3 1 1264 124 124 SER N N 111.814 0.3 1 1265 125 125 LEU H H 8.754 0.020 1 1266 125 125 LEU HA H 3.850 0.020 1 1267 125 125 LEU HB2 H 1.776 0.020 2 1268 125 125 LEU HB3 H 1.340 0.020 2 1269 125 125 LEU HG H 0.684 0.020 1 1270 125 125 LEU HD1 H 0.660 0.020 1 1271 125 125 LEU HD2 H 0.876 0.020 1 1272 125 125 LEU C C 177.652 0.3 1 1273 125 125 LEU CA C 57.584 0.3 1 1274 125 125 LEU CB C 41.916 0.3 1 1275 125 125 LEU CG C 26.063 0.3 1 1276 125 125 LEU CD1 C 22.532 0.3 1 1277 125 125 LEU CD2 C 22.854 0.3 1 1278 125 125 LEU N N 118.806 0.3 1 1279 126 126 ASN H H 8.301 0.020 1 1280 126 126 ASN HA H 4.256 0.020 1 1281 126 126 ASN HB2 H 2.667 0.020 2 1282 126 126 ASN HB3 H 2.486 0.020 2 1283 126 126 ASN HD21 H 6.631 0.020 1 1284 126 126 ASN HD22 H 7.221 0.020 1 1285 126 126 ASN C C 178.840 0.3 1 1286 126 126 ASN CA C 56.446 0.3 1 1287 126 126 ASN CB C 37.227 0.3 1 1288 126 126 ASN N N 116.372 0.3 1 1289 126 126 ASN ND2 N 113.414 0.3 1 1290 127 127 HIS H H 6.952 0.020 1 1291 127 127 HIS HA H 4.820 0.020 1 1292 127 127 HIS HB2 H 3.203 0.020 1 1293 127 127 HIS HB3 H 3.203 0.020 1 1294 127 127 HIS HD2 H 7.542 0.020 1 1295 127 127 HIS HE1 H 7.947 0.020 1 1296 127 127 HIS C C 176.649 0.3 1 1297 127 127 HIS CA C 58.470 0.3 1 1298 127 127 HIS CB C 31.843 0.3 1 1299 127 127 HIS CD2 C 124.317 0.3 1 1300 127 127 HIS CE1 C 139.256 0.3 1 1301 127 127 HIS N N 118.174 0.3 1 1302 128 128 LEU H H 7.494 0.020 1 1303 128 128 LEU HA H 2.764 0.020 1 1304 128 128 LEU HB2 H 1.755 0.020 1 1305 128 128 LEU HB3 H 1.755 0.020 1 1306 128 128 LEU HG H 0.932 0.020 1 1307 128 128 LEU HD1 H 0.752 0.020 1 1308 128 128 LEU HD2 H 0.752 0.020 1 1309 128 128 LEU C C 178.691 0.3 1 1310 128 128 LEU CA C 59.882 0.3 1 1311 128 128 LEU CB C 42.098 0.3 1 1312 128 128 LEU CG C 28.364 0.3 1 1313 128 128 LEU CD1 C 23.773 0.3 1 1314 128 128 LEU CD2 C 24.034 0.3 1 1315 128 128 LEU N N 127.100 0.3 1 1316 129 129 LEU H H 8.453 0.020 1 1317 129 129 LEU HA H 3.859 0.020 1 1318 129 129 LEU HB2 H 1.592 0.020 2 1319 129 129 LEU HB3 H 1.070 0.020 2 1320 129 129 LEU HG H 0.474 0.020 1 1321 129 129 LEU HD1 H -0.193 0.020 1 1322 129 129 LEU HD2 H -0.193 0.020 1 1323 129 129 LEU C C 178.191 0.3 1 1324 129 129 LEU CA C 56.994 0.3 1 1325 129 129 LEU CB C 41.192 0.3 1 1326 129 129 LEU CG C 25.563 0.3 1 1327 129 129 LEU CD1 C 20.513 0.3 1 1328 129 129 LEU CD2 C 20.647 0.3 1 1329 129 129 LEU N N 119.812 0.3 1 1330 130 130 THR H H 7.557 0.020 1 1331 130 130 THR HA H 3.760 0.020 1 1332 130 130 THR HB H 4.210 0.020 1 1333 130 130 THR HG2 H 1.249 0.020 1 1334 130 130 THR C C 176.174 0.3 1 1335 130 130 THR CA C 66.712 0.3 1 1336 130 130 THR CB C 68.943 0.3 1 1337 130 130 THR CG2 C 21.580 0.3 1 1338 130 130 THR N N 113.368 0.3 1 1339 131 131 ALA H H 7.354 0.020 1 1340 131 131 ALA HA H 4.380 0.020 1 1341 131 131 ALA HB H 1.488 0.020 1 1342 131 131 ALA C C 179.929 0.3 1 1343 131 131 ALA CA C 54.158 0.3 1 1344 131 131 ALA CB C 19.648 0.3 1 1345 131 131 ALA N N 120.802 0.3 1 1346 132 132 LEU H H 9.368 0.020 1 1347 132 132 LEU HA H 4.209 0.020 1 1348 132 132 LEU HB2 H 2.517 0.020 1 1349 132 132 LEU HB3 H 2.517 0.020 1 1350 132 132 LEU HG H 1.925 0.020 1 1351 132 132 LEU HD1 H 0.938 0.020 1 1352 132 132 LEU HD2 H 0.998 0.020 1 1353 132 132 LEU C C 179.255 0.3 1 1354 132 132 LEU CA C 56.024 0.3 1 1355 132 132 LEU CB C 38.161 0.3 1 1356 132 132 LEU CG C 29.130 0.3 1 1357 132 132 LEU CD1 C 24.370 0.3 1 1358 132 132 LEU CD2 C 22.583 0.3 1 1359 132 132 LEU N N 123.197 0.3 1 1360 133 133 ASP H H 8.265 0.020 1 1361 133 133 ASP HA H 4.735 0.020 1 1362 133 133 ASP HB2 H 2.748 0.020 2 1363 133 133 ASP HB3 H 3.059 0.020 2 1364 133 133 ASP C C 177.293 0.3 1 1365 133 133 ASP CA C 56.340 0.3 1 1366 133 133 ASP CB C 40.560 0.3 1 1367 133 133 ASP N N 121.616 0.3 1 1368 134 134 THR H H 7.565 0.020 1 1369 134 134 THR HA H 4.515 0.020 1 1370 134 134 THR HB H 4.556 0.020 1 1371 134 134 THR HG2 H 1.381 0.020 1 1372 134 134 THR C C 173.957 0.3 1 1373 134 134 THR CA C 62.437 0.3 1 1374 134 134 THR CB C 69.712 0.3 1 1375 134 134 THR CG2 C 20.929 0.3 1 1376 134 134 THR N N 108.961 0.3 1 1377 135 135 THR H H 7.849 0.020 1 1378 135 135 THR HA H 5.236 0.020 1 1379 135 135 THR HB H 4.293 0.020 1 1380 135 135 THR HG2 H 1.214 0.020 1 1381 135 135 THR C C 171.930 0.3 1 1382 135 135 THR CA C 60.367 0.3 1 1383 135 135 THR CB C 72.056 0.3 1 1384 135 135 THR CG2 C 21.872 0.3 1 1385 135 135 THR N N 116.496 0.3 1 1386 136 136 ASP H H 8.151 0.020 1 1387 136 136 ASP HA H 4.708 0.020 1 1388 136 136 ASP HB2 H 2.561 0.020 1 1389 136 136 ASP HB3 H 2.561 0.020 1 1390 136 136 ASP C C 176.654 0.3 1 1391 136 136 ASP CA C 51.779 0.3 1 1392 136 136 ASP CB C 41.658 0.3 1 1393 136 136 ASP N N 116.763 0.3 1 1394 137 137 ALA H H 7.250 0.020 1 1395 137 137 ALA HA H 4.097 0.020 1 1396 137 137 ALA HB H 1.064 0.020 1 1397 137 137 ALA C C 175.305 0.3 1 1398 137 137 ALA CA C 52.303 0.3 1 1399 137 137 ALA CB C 19.153 0.3 1 1400 137 137 ALA N N 121.828 0.3 1 1401 138 138 ASP H H 8.077 0.020 1 1402 138 138 ASP HA H 4.954 0.020 1 1403 138 138 ASP HB2 H 2.656 0.020 1 1404 138 138 ASP HB3 H 2.656 0.020 1 1405 138 138 ASP C C 175.415 0.3 1 1406 138 138 ASP CA C 54.063 0.3 1 1407 138 138 ASP CB C 41.091 0.3 1 1408 138 138 ASP N N 119.326 0.3 1 1409 139 139 VAL H H 8.867 0.020 1 1410 139 139 VAL HA H 4.398 0.020 1 1411 139 139 VAL HB H 2.098 0.020 1 1412 139 139 VAL HG1 H 0.809 0.020 1 1413 139 139 VAL HG2 H 0.569 0.020 1 1414 139 139 VAL C C 173.767 0.3 1 1415 139 139 VAL CA C 61.864 0.3 1 1416 139 139 VAL CB C 32.777 0.3 1 1417 139 139 VAL CG1 C 22.159 0.3 1 1418 139 139 VAL CG2 C 20.824 0.3 1 1419 139 139 VAL N N 128.937 0.3 1 1420 140 140 ALA H H 9.147 0.020 1 1421 140 140 ALA HA H 4.199 0.020 1 1422 140 140 ALA HB H 1.202 0.020 1 1423 140 140 ALA C C 175.385 0.3 1 1424 140 140 ALA CA C 49.468 0.3 1 1425 140 140 ALA CB C 20.234 0.3 1 1426 140 140 ALA N N 132.149 0.3 1 1427 141 141 ILE H H 8.897 0.020 1 1428 141 141 ILE HA H 4.849 0.020 1 1429 141 141 ILE HB H 1.676 0.020 1 1430 141 141 ILE HG12 H 0.789 0.020 1 1431 141 141 ILE HG13 H 0.789 0.020 1 1432 141 141 ILE HG2 H 0.848 0.020 1 1433 141 141 ILE HD1 H 0.672 0.020 1 1434 141 141 ILE C C 175.665 0.3 1 1435 141 141 ILE CA C 60.767 0.3 1 1436 141 141 ILE CB C 39.278 0.3 1 1437 141 141 ILE CG1 C 27.449 0.3 1 1438 141 141 ILE CG2 C 17.452 0.3 1 1439 141 141 ILE CD1 C 14.221 0.3 1 1440 141 141 ILE N N 126.308 0.3 1 1441 142 142 TYR H H 8.791 0.020 1 1442 142 142 TYR HA H 5.566 0.020 1 1443 142 142 TYR HB2 H 2.742 0.020 1 1444 142 142 TYR HB3 H 2.742 0.020 1 1445 142 142 TYR HD1 H 7.055 0.020 1 1446 142 142 TYR C C 176.395 0.3 1 1447 142 142 TYR CA C 57.732 0.3 1 1448 142 142 TYR CB C 43.160 0.3 1 1449 142 142 TYR N N 129.486 0.3 1 1450 143 143 CYS H H 8.888 0.020 1 1451 143 143 CYS HA H 5.290 0.020 1 1452 143 143 CYS HB2 H 3.065 0.020 1 1453 143 143 CYS HB3 H 3.065 0.020 1 1454 143 143 CYS C C 171.600 0.3 1 1455 143 143 CYS CA C 56.066 0.3 1 1456 143 143 CYS CB C 31.331 0.3 1 1457 143 143 CYS N N 114.605 0.3 1 1458 144 144 ARG H H 8.449 0.020 1 1459 144 144 ARG HA H 4.473 0.020 1 1460 144 144 ARG HB2 H 1.341 0.020 2 1461 144 144 ARG HB3 H 1.189 0.020 2 1462 144 144 ARG HG2 H 0.876 0.020 1 1463 144 144 ARG HG3 H 0.876 0.020 1 1464 144 144 ARG HD2 H 2.402 0.020 2 1465 144 144 ARG HD3 H 2.055 0.020 2 1466 144 144 ARG C C 175.735 0.3 1 1467 144 144 ARG CA C 55.876 0.3 1 1468 144 144 ARG CB C 31.807 0.3 1 1469 144 144 ARG CG C 25.762 0.3 1 1470 144 144 ARG CD C 42.702 0.3 1 1471 144 144 ARG N N 115.981 0.3 1 1472 145 145 ASP H H 7.251 0.020 1 1473 145 145 ASP HA H 4.699 0.020 1 1474 145 145 ASP HB2 H 2.447 0.020 1 1475 145 145 ASP HB3 H 2.447 0.020 1 1476 145 145 ASP C C 176.314 0.3 1 1477 145 145 ASP CA C 53.389 0.3 1 1478 145 145 ASP CB C 44.076 0.3 1 1479 145 145 ASP N N 120.047 0.3 1 1480 146 146 LYS HA H 4.064 0.020 1 1481 146 146 LYS HB2 H 1.819 0.020 1 1482 146 146 LYS HB3 H 1.819 0.020 1 1483 146 146 LYS HG2 H 1.413 0.020 1 1484 146 146 LYS HG3 H 1.413 0.020 1 1485 146 146 LYS HD2 H 1.682 0.020 1 1486 146 146 LYS HD3 H 1.682 0.020 1 1487 146 146 LYS HE2 H 2.980 0.020 1 1488 146 146 LYS HE3 H 2.980 0.020 1 1489 146 146 LYS C C 178.128 0.3 1 1490 146 146 LYS CA C 59.882 0.3 1 1491 146 146 LYS CB C 32.878 0.3 1 1492 146 146 LYS CG C 25.494 0.3 1 1493 146 146 LYS CD C 28.964 0.3 1 1494 146 146 LYS CE C 42.029 0.3 1 1495 147 147 LYS H H 8.523 0.020 1 1496 147 147 LYS HA H 4.224 0.020 1 1497 147 147 LYS HB2 H 1.928 0.020 1 1498 147 147 LYS HB3 H 1.928 0.020 1 1499 147 147 LYS HG2 H 1.493 0.020 1 1500 147 147 LYS HG3 H 1.493 0.020 1 1501 147 147 LYS HD2 H 1.796 0.020 1 1502 147 147 LYS HD3 H 1.796 0.020 1 1503 147 147 LYS HE2 H 2.884 0.020 1 1504 147 147 LYS HE3 H 2.884 0.020 1 1505 147 147 LYS C C 179.849 0.3 1 1506 147 147 LYS CA C 59.566 0.3 1 1507 147 147 LYS CB C 31.624 0.3 1 1508 147 147 LYS CG C 24.973 0.3 1 1509 147 147 LYS CD C 28.950 0.3 1 1510 147 147 LYS CE C 41.965 0.3 1 1511 147 147 LYS N N 121.281 0.3 1 1512 148 148 TRP H H 8.348 0.020 1 1513 148 148 TRP HA H 4.339 0.020 1 1514 148 148 TRP HB2 H 3.384 0.020 2 1515 148 148 TRP HB3 H 3.164 0.020 2 1516 148 148 TRP HD1 H 7.276 0.020 1 1517 148 148 TRP HE1 H 10.311 0.020 1 1518 148 148 TRP HE3 H 7.650 0.020 1 1519 148 148 TRP C C 177.293 0.3 1 1520 148 148 TRP CA C 60.177 0.3 1 1521 148 148 TRP CB C 28.364 0.3 1 1522 148 148 TRP CD1 C 125.381 0.3 1 1523 148 148 TRP CE3 C 115.406 0.3 1 1524 148 148 TRP N N 121.554 0.3 1 1525 148 148 TRP NE1 N 130.848 0.3 1 1526 149 149 GLU H H 8.322 0.020 1 1527 149 149 GLU HA H 3.895 0.020 1 1528 149 149 GLU HB2 H 2.456 0.020 1 1529 149 149 GLU HB3 H 2.456 0.020 1 1530 149 149 GLU HG2 H 2.069 0.020 1 1531 149 149 GLU HG3 H 2.069 0.020 1 1532 149 149 GLU C C 177.772 0.3 1 1533 149 149 GLU CA C 60.146 0.3 1 1534 149 149 GLU CB C 30.012 0.3 1 1535 149 149 GLU CG C 35.073 0.3 1 1536 149 149 GLU N N 121.343 0.3 1 1537 150 150 MET H H 7.767 0.020 1 1538 150 150 MET HA H 4.224 0.020 1 1539 150 150 MET HB2 H 2.257 0.020 2 1540 150 150 MET HB3 H 2.214 0.020 2 1541 150 150 MET HG2 H 2.700 0.020 2 1542 150 150 MET HG3 H 2.796 0.020 2 1543 150 150 MET C C 179.030 0.3 1 1544 150 150 MET CA C 58.406 0.3 1 1545 150 150 MET CB C 31.730 0.3 1 1546 150 150 MET CG C 31.901 0.3 1 1547 150 150 MET N N 116.923 0.3 1 1548 151 151 THR H H 7.952 0.020 1 1549 151 151 THR HA H 3.906 0.020 1 1550 151 151 THR HB H 3.927 0.020 1 1551 151 151 THR HG2 H 1.102 0.020 1 1552 151 151 THR C C 177.153 0.3 1 1553 151 151 THR CA C 66.024 0.3 1 1554 151 151 THR CB C 68.088 0.3 1 1555 151 151 THR CG2 C 22.267 0.3 1 1556 151 151 THR N N 119.106 0.3 1 1557 152 152 LEU H H 8.932 0.020 1 1558 152 152 LEU HA H 3.819 0.020 1 1559 152 152 LEU HB2 H 2.182 0.020 1 1560 152 152 LEU HB3 H 2.182 0.020 1 1561 152 152 LEU HG H 1.807 0.020 1 1562 152 152 LEU HD1 H 0.984 0.020 1 1563 152 152 LEU HD2 H 0.883 0.020 1 1564 152 152 LEU C C 177.992 0.3 1 1565 152 152 LEU CA C 58.238 0.3 1 1566 152 152 LEU CB C 43.451 0.3 1 1567 152 152 LEU CG C 27.463 0.3 1 1568 152 152 LEU CD1 C 25.654 0.3 1 1569 152 152 LEU CD2 C 25.957 0.3 1 1570 152 152 LEU N N 123.286 0.3 1 1571 153 153 LYS H H 8.512 0.020 1 1572 153 153 LYS HA H 3.769 0.020 1 1573 153 153 LYS HB2 H 1.913 0.020 1 1574 153 153 LYS HB3 H 1.913 0.020 1 1575 153 153 LYS HG2 H 1.418 0.020 1 1576 153 153 LYS HG3 H 1.418 0.020 1 1577 153 153 LYS HD2 H 1.711 0.020 1 1578 153 153 LYS HD3 H 1.711 0.020 1 1579 153 153 LYS HE2 H 3.072 0.020 1 1580 153 153 LYS HE3 H 3.072 0.020 1 1581 153 153 LYS C C 179.809 0.3 1 1582 153 153 LYS CA C 60.915 0.3 1 1583 153 153 LYS CB C 32.319 0.3 1 1584 153 153 LYS CG C 27.159 0.3 1 1585 153 153 LYS CD C 29.698 0.3 1 1586 153 153 LYS CE C 41.883 0.3 1 1587 153 153 LYS N N 118.841 0.3 1 1588 154 154 GLU H H 7.709 0.020 1 1589 154 154 GLU HA H 4.030 0.020 1 1590 154 154 GLU HB2 H 2.039 0.020 1 1591 154 154 GLU HB3 H 2.039 0.020 1 1592 154 154 GLU HG2 H 2.375 0.020 1 1593 154 154 GLU HG3 H 2.375 0.020 1 1594 154 154 GLU C C 178.062 0.3 1 1595 154 154 GLU CA C 59.123 0.3 1 1596 154 154 GLU CB C 29.389 0.3 1 1597 154 154 GLU CG C 36.243 0.3 1 1598 154 154 GLU N N 119.747 0.3 1 1599 155 155 ALA H H 7.872 0.020 1 1600 155 155 ALA HA H 3.976 0.020 1 1601 155 155 ALA HB H 1.295 0.020 1 1602 155 155 ALA C C 181.097 0.3 1 1603 155 155 ALA CA C 54.980 0.3 1 1604 155 155 ALA CB C 18.366 0.3 1 1605 155 155 ALA N N 122.258 0.3 1 1606 156 156 VAL H H 8.246 0.020 1 1607 156 156 VAL HA H 3.520 0.020 1 1608 156 156 VAL HB H 2.037 0.020 1 1609 156 156 VAL HG1 H 0.822 0.020 1 1610 156 156 VAL HG2 H 0.822 0.020 1 1611 156 156 VAL C C 177.792 0.3 1 1612 156 156 VAL CA C 65.806 0.3 1 1613 156 156 VAL CB C 31.550 0.3 1 1614 156 156 VAL CG1 C 21.879 0.3 1 1615 156 156 VAL CG2 C 22.211 0.3 1 1616 156 156 VAL N N 116.298 0.3 1 1617 157 157 ALA H H 7.686 0.020 1 1618 157 157 ALA HA H 4.232 0.020 1 1619 157 157 ALA HB H 1.519 0.020 1 1620 157 157 ALA C C 179.899 0.3 1 1621 157 157 ALA CA C 54.675 0.3 1 1622 157 157 ALA CB C 18.366 0.3 1 1623 157 157 ALA N N 123.046 0.3 1 1624 158 158 ARG H H 7.692 0.020 1 1625 158 158 ARG HA H 4.192 0.020 1 1626 158 158 ARG HB2 H 1.873 0.020 1 1627 158 158 ARG HB3 H 1.873 0.020 1 1628 158 158 ARG HG2 H 1.759 0.020 2 1629 158 158 ARG HG3 H 1.648 0.020 2 1630 158 158 ARG HD2 H 3.166 0.020 1 1631 158 158 ARG HD3 H 3.166 0.020 1 1632 158 158 ARG C C 177.263 0.3 1 1633 158 158 ARG CA C 57.437 0.3 1 1634 158 158 ARG CB C 30.122 0.3 1 1635 158 158 ARG CG C 27.378 0.3 1 1636 158 158 ARG CD C 43.407 0.3 1 1637 158 158 ARG N N 116.731 0.3 1 1638 159 159 ARG H H 7.303 0.020 1 1639 159 159 ARG HA H 4.140 0.020 1 1640 159 159 ARG HB2 H 1.686 0.020 1 1641 159 159 ARG HB3 H 1.686 0.020 1 1642 159 159 ARG HG2 H 1.633 0.020 1 1643 159 159 ARG HG3 H 1.633 0.020 1 1644 159 159 ARG HD2 H 3.031 0.020 1 1645 159 159 ARG HD3 H 3.031 0.020 1 1646 159 159 ARG C C 176.773 0.3 1 1647 159 159 ARG CA C 56.878 0.3 1 1648 159 159 ARG CB C 30.142 0.3 1 1649 159 159 ARG CG C 27.068 0.3 1 1650 159 159 ARG CD C 43.134 0.3 1 1651 159 159 ARG N N 119.610 0.3 1 1652 160 160 GLU H H 8.032 0.020 1 1653 160 160 GLU HA H 4.189 0.020 1 1654 160 160 GLU HB2 H 1.970 0.020 1 1655 160 160 GLU HB3 H 1.970 0.020 1 1656 160 160 GLU HG2 H 2.309 0.020 1 1657 160 160 GLU HG3 H 2.309 0.020 1 1658 160 160 GLU C C 176.738 0.3 1 1659 160 160 GLU CA C 57.057 0.3 1 1660 160 160 GLU CB C 30.104 0.3 1 1661 160 160 GLU CG C 36.032 0.3 1 1662 160 160 GLU N N 121.211 0.3 1 stop_ save_