data_30285 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution-state NMR structural ensemble of human Tsg101 UEV in complex with tenatoprazole ; _BMRB_accession_number 30285 _BMRB_flat_file_name bmr30285.str _Entry_type original _Submission_date 2017-04-21 _Accession_date 2017-04-21 _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 Strickland Madeleine . . 2 Ehrlich Lorna S. . 3 Watanabe Susan . . 4 Khan Mahfuz . . 5 Strub Marie-Paule . . 6 Luan Chi-Hao . . 7 Powell Michael D. . 8 Leis Jonathan . . 9 Tjandra Nico . . 10 Carter Carol . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 894 "13C chemical shifts" 521 "15N chemical shifts" 143 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2017-11-20 update BMRB 'update entry citation' 2017-11-10 original author 'original release' stop_ _Original_release_date 2017-05-16 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Tsg101 chaperone function revealed by HIV-1 assembly inhibitors. ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 29123089 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Strickland Madeleine . . 2 Ehrlich Lorna S. . 3 Watanabe Susan . . 4 Khan Mahfuz . . 5 Strub Marie-Paule . . 6 Luan Chi-Hao . . 7 Powell Michael D. . 8 Leis Jonathan . . 9 Tjandra Nico . . 10 Carter Carol . . stop_ _Journal_abbreviation 'Nat. Commun.' _Journal_name_full 'Nature communications' _Journal_volume 8 _Journal_issue 1 _Journal_ISSN 2041-1723 _Journal_CSD 0353 _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 1391 _Page_last 1391 _Year 2017 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'human Tsg101 UEV in complex with tenatoprazole' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label entity_1 $entity_1 entity_2 $entity_4N1 stop_ _System_molecular_weight . _System_oligomer_state ? _System_paramagnetic no _System_thiol_state 'disulfide bound and free' _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 16559.207 _Mol_thiol_state 'disulfide bound and free' _Details ; The first residue is mutated from methionine to glycine due to the fact that it was produced with a N-terminal polyhistidine tag, which was cleaved using tobacco etch virus protease, leaving a non-natural glycine residue. ; ############################## # Polymer residue sequence # ############################## _Residue_count 145 _Mol_residue_sequence ; GAVSESQLKKMVSKYKYRDL TVRETVNVITLYKDLKPVLD SYVFNDGSSRELMNLTGTIP VPYRGNTYNIPICLWLLDTY PYNPPICFVKPTSSMTIKTG KHVDANGKIYLPYLHEWKHP QSDLLGLIQVMIVVFGDEPP VFSRP ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 ALA 3 VAL 4 SER 5 GLU 6 SER 7 GLN 8 LEU 9 LYS 10 LYS 11 MET 12 VAL 13 SER 14 LYS 15 TYR 16 LYS 17 TYR 18 ARG 19 ASP 20 LEU 21 THR 22 VAL 23 ARG 24 GLU 25 THR 26 VAL 27 ASN 28 VAL 29 ILE 30 THR 31 LEU 32 TYR 33 LYS 34 ASP 35 LEU 36 LYS 37 PRO 38 VAL 39 LEU 40 ASP 41 SER 42 TYR 43 VAL 44 PHE 45 ASN 46 ASP 47 GLY 48 SER 49 SER 50 ARG 51 GLU 52 LEU 53 MET 54 ASN 55 LEU 56 THR 57 GLY 58 THR 59 ILE 60 PRO 61 VAL 62 PRO 63 TYR 64 ARG 65 GLY 66 ASN 67 THR 68 TYR 69 ASN 70 ILE 71 PRO 72 ILE 73 CYS 74 LEU 75 TRP 76 LEU 77 LEU 78 ASP 79 THR 80 TYR 81 PRO 82 TYR 83 ASN 84 PRO 85 PRO 86 ILE 87 CYS 88 PHE 89 VAL 90 LYS 91 PRO 92 THR 93 SER 94 SER 95 MET 96 THR 97 ILE 98 LYS 99 THR 100 GLY 101 LYS 102 HIS 103 VAL 104 ASP 105 ALA 106 ASN 107 GLY 108 LYS 109 ILE 110 TYR 111 LEU 112 PRO 113 TYR 114 LEU 115 HIS 116 GLU 117 TRP 118 LYS 119 HIS 120 PRO 121 GLN 122 SER 123 ASP 124 LEU 125 LEU 126 GLY 127 LEU 128 ILE 129 GLN 130 VAL 131 MET 132 ILE 133 VAL 134 VAL 135 PHE 136 GLY 137 ASP 138 GLU 139 PRO 140 PRO 141 VAL 142 PHE 143 SER 144 ARG 145 PRO stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ ############# # Ligands # ############# save_4N1 _Saveframe_category ligand _Mol_type "non-polymer (NON-POLYMER)" _Name_common "entity_4N1 (4-methoxy-1-(5-methoxy-3H-imidazo[4,5-b]pyridin-2-yl)-3,5-dimethyl-2-(sulfanylmethyl)pyridin-1-ium)" _BMRB_code 4N1 _PDB_code 4N1 _Molecular_mass 331.413 _Mol_charge 1 _Mol_paramagnetic . _Mol_aromatic yes _Details . loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons C1 C1 C . 0 . ? O1 O1 O . 0 . ? N2 N2 N . 0 . ? C3 C3 C . 0 . ? C4 C4 C . 0 . ? C5 C5 C . 0 . ? C6 C6 C . 0 . ? N7 N7 N . 0 . ? C8 C8 C . 0 . ? N9 N9 N . 0 . ? C10 C10 C . 0 . ? N11 N11 N . 1 . ? C12 C12 C . 0 . ? C13 C13 C . 0 . ? C14 C14 C . 0 . ? O14 O14 O . 0 . ? C15 C15 C . 0 . ? C16 C16 C . 0 . ? C17 C17 C . 0 . ? C18 C18 C . 0 . ? C19 C19 C . 0 . ? S20 S20 S . 0 . ? C21 C21 C . 0 . ? H5 H5 H . 0 . ? H6 H6 H . 0 . ? H7 H7 H . 0 . ? H101 H101 H . 0 . ? H102 H102 H . 0 . ? H103 H103 H . 0 . ? H16 H16 H . 0 . ? H171 H171 H . 0 . ? H181 H181 H . 0 . ? H182 H182 H . 0 . ? H183 H183 H . 0 . ? H191 H191 H . 0 . ? H192 H192 H . 0 . ? H193 H193 H . 0 . ? H211 H211 H . 0 . ? H212 H212 H . 0 . ? H213 H213 H . 0 . ? H172 H172 H . 0 . ? H1 H1 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 C1 O1 ? ? DOUB C1 N2 ? ? SING C1 C6 ? ? SING O1 C10 ? ? SING N2 C3 ? ? DOUB C3 C4 ? ? SING C3 N7 ? ? SING C4 C5 ? ? SING C4 N9 ? ? DOUB C5 C6 ? ? SING N7 C8 ? ? DOUB C8 N9 ? ? SING C8 N11 ? ? DOUB N11 C12 ? ? SING N11 C16 ? ? SING C12 C13 ? ? SING C12 C17 ? ? DOUB C13 C14 ? ? SING C13 C18 ? ? SING C14 O14 ? ? SING C14 C15 ? ? SING O14 C21 ? ? DOUB C15 C16 ? ? SING C15 C19 ? ? SING C17 S20 ? ? SING C5 H5 ? ? SING C6 H6 ? ? SING N7 H7 ? ? SING C10 H101 ? ? SING C10 H102 ? ? SING C10 H103 ? ? SING C16 H16 ? ? SING C17 H171 ? ? SING C18 H181 ? ? SING C18 H182 ? ? SING C18 H183 ? ? SING C19 H191 ? ? SING C19 H192 ? ? SING C19 H193 ? ? SING C21 H211 ? ? SING C21 H212 ? ? SING C21 H213 ? ? SING C17 H172 ? ? SING S20 H1 ? ? 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 _Gene_mnemonic $entity_1 Human 9606 Eukaryota Metazoa Homo sapiens TSG101 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' . Escherichia coli 'Rosetta 2 (DE3)' pET-28B 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 Tenatoprazole 0.6 mM 'natural abundance' $entity_1 0.6 mM '[U-98% 13C; U-98% 15N]' 'potassium phosphate' 20 mM 'natural abundance' 'sodium 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 Tenatoprazole 0.6 mM 'natural abundance' $entity_1 0.6 mM '[U-13C; U-15N]' 'potassium phosphate' 20 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name Analysis _Version 2.4.2 loop_ _Vendor _Address _Electronic_address CCPN . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' 'peak picking' stop_ _Details . save_ save_software_2 _Saveframe_category software _Name Gaussian _Version 9 loop_ _Vendor _Address _Electronic_address 'Gaussian, Inc.' . . stop_ loop_ _Task 'geometry optimization' stop_ _Details . save_ save_software_3 _Saveframe_category software _Name NMRDraw _Version 8.2 loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_software_4 _Saveframe_category software _Name NMRPipe _Version 8.2 loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_software_5 _Saveframe_category software _Name PSVS _Version 1.5 loop_ _Vendor _Address _Electronic_address 'Bhattacharya and Montelione' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_software_6 _Saveframe_category software _Name TALOS-N _Version 4.12 loop_ _Vendor _Address _Electronic_address 'Yang Shen and Ad Bax' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_software_7 _Saveframe_category software _Name TOPSPIN _Version 3.0 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ save_software_8 _Saveframe_category software _Name 'X-PLOR NIH' _Version 2.37.7 loop_ _Vendor _Address _Electronic_address 'Schwieters, Kuszewski, Tjandra and Clore' . . stop_ loop_ _Task 'structure calculation' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details Cryoprobe save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details Cryoprobe save_ save_NMR_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 900 _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_aliphatic_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic' _Sample_label $sample_2 save_ save_3D_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_H(CCO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aliphatic_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_2 save_ save_3D_1H-13C_NOESY_aromatic_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _Sample_label $sample_2 save_ save_3D_1H-13C-12C_filtered_NOESY_aliphatic_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C-12C filtered NOESY aliphatic' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_C(CO)NH_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _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' 0.1 . M pH 5.8 . pH pressure 1 . atm temperature 300 . K stop_ save_ save_sample_conditions_2 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.1 . mM pH 5.8 . pH* pressure 1 . atm temperature 300 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.000 internal indirect . . . 0.25144953 DSS H 1 'methyl protons' ppm 0.000 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.000 internal indirect . . . 0.10132912 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Saveframe_category assigned_chemical_shifts _Details "Average standard deviation of each isotope's chemical shifts." loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC aliphatic' '3D HNCACB' '3D H(CCO)NH' '3D 1H-15N NOESY' '3D 1H-13C NOESY aliphatic' '3D 1H-13C NOESY aromatic' '3D 1H-13C-12C filtered NOESY aliphatic' '3D CBCA(CO)NH' '3D C(CO)NH' stop_ loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chem_shift_reference_1 _Mol_system_component_name entity_1 _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 1 GLY HA2 H 3.816 0.011 1 2 1 1 GLY HA3 H 3.816 0.011 1 3 1 1 GLY CA C 43.219 0.051 1 4 2 2 ALA H H 8.595 0.011 1 5 2 2 ALA HA H 4.371 0.011 1 6 2 2 ALA HB H 1.358 0.011 1 7 2 2 ALA CA C 52.429 0.051 1 8 2 2 ALA CB C 19.558 0.051 1 9 2 2 ALA N N 123.728 0.054 1 10 3 3 VAL H H 8.123 0.011 1 11 3 3 VAL HA H 4.146 0.011 1 12 3 3 VAL HB H 1.899 0.011 1 13 3 3 VAL HG1 H 0.893 0.011 1 14 3 3 VAL HG2 H 0.893 0.011 1 15 3 3 VAL CA C 61.832 0.051 1 16 3 3 VAL CB C 32.962 0.051 1 17 3 3 VAL CG2 C 21.382 0.051 1 18 3 3 VAL N N 120.381 0.054 1 19 4 4 SER H H 8.398 0.011 1 20 4 4 SER HA H 4.523 0.011 1 21 4 4 SER HB2 H 4.214 0.011 1 22 4 4 SER HB3 H 3.923 0.011 1 23 4 4 SER CA C 56.821 0.051 1 24 4 4 SER CB C 65.050 0.051 1 25 4 4 SER N N 121.247 0.054 1 26 5 5 GLU H H 9.047 0.011 1 27 5 5 GLU HA H 3.752 0.011 1 28 5 5 GLU HB2 H 2.079 0.011 1 29 5 5 GLU HB3 H 2.008 0.011 1 30 5 5 GLU HG2 H 2.207 0.011 1 31 5 5 GLU HG3 H 2.094 0.011 1 32 5 5 GLU CA C 60.296 0.051 1 33 5 5 GLU CB C 29.348 0.051 1 34 5 5 GLU CG C 36.908 0.051 1 35 5 5 GLU N N 123.457 0.054 1 36 6 6 SER H H 8.363 0.011 1 37 6 6 SER HA H 4.031 0.011 1 38 6 6 SER HB2 H 3.850 0.011 1 39 6 6 SER HB3 H 3.850 0.011 1 40 6 6 SER CA C 61.596 0.051 1 41 6 6 SER CB C 62.265 0.051 1 42 6 6 SER N N 113.239 0.054 1 43 7 7 GLN H H 7.730 0.011 1 44 7 7 GLN HA H 4.032 0.011 1 45 7 7 GLN HB2 H 2.030 0.011 1 46 7 7 GLN HB3 H 2.224 0.011 1 47 7 7 GLN HG2 H 2.364 0.011 1 48 7 7 GLN HG3 H 2.366 0.011 1 49 7 7 GLN HE21 H 7.215 0.011 1 50 7 7 GLN HE22 H 6.864 0.011 1 51 7 7 GLN CA C 58.494 0.051 1 52 7 7 GLN CB C 28.416 0.051 1 53 7 7 GLN CG C 33.931 0.051 1 54 7 7 GLN N N 122.672 0.054 1 55 7 7 GLN NE2 N 111.109 0.054 1 56 8 8 LEU H H 8.159 0.011 1 57 8 8 LEU HA H 4.023 0.011 1 58 8 8 LEU HB2 H 1.812 0.011 1 59 8 8 LEU HB3 H 1.384 0.011 1 60 8 8 LEU HG H 0.782 0.011 1 61 8 8 LEU HD1 H 0.791 0.011 1 62 8 8 LEU HD2 H 0.885 0.011 1 63 8 8 LEU CA C 57.909 0.051 1 64 8 8 LEU CB C 42.631 0.051 1 65 8 8 LEU CG C 26.161 0.051 1 66 8 8 LEU CD1 C 25.287 0.051 1 67 8 8 LEU CD2 C 24.308 0.051 1 68 8 8 LEU N N 121.636 0.054 1 69 9 9 LYS H H 8.275 0.011 1 70 9 9 LYS HA H 3.550 0.011 1 71 9 9 LYS HB2 H 1.779 0.011 1 72 9 9 LYS HB3 H 1.832 0.011 1 73 9 9 LYS HG2 H 1.583 0.011 1 74 9 9 LYS HG3 H 1.295 0.011 1 75 9 9 LYS HD2 H 1.618 0.011 1 76 9 9 LYS HD3 H 1.618 0.011 1 77 9 9 LYS HE2 H 2.836 0.011 1 78 9 9 LYS HE3 H 2.841 0.011 1 79 9 9 LYS CA C 60.024 0.051 1 80 9 9 LYS CB C 32.435 0.051 1 81 9 9 LYS CG C 26.959 0.051 1 82 9 9 LYS CD C 29.607 0.051 1 83 9 9 LYS CE C 41.727 0.051 1 84 9 9 LYS N N 116.735 0.054 1 85 10 10 LYS H H 7.137 0.011 1 86 10 10 LYS HA H 4.035 0.011 1 87 10 10 LYS HB2 H 1.900 0.011 1 88 10 10 LYS HB3 H 1.893 0.011 1 89 10 10 LYS HG2 H 1.560 0.011 1 90 10 10 LYS HG3 H 1.410 0.011 1 91 10 10 LYS HD2 H 1.674 0.011 1 92 10 10 LYS HD3 H 1.675 0.011 1 93 10 10 LYS HE2 H 2.953 0.011 1 94 10 10 LYS HE3 H 2.953 0.011 1 95 10 10 LYS CA C 58.898 0.051 1 96 10 10 LYS CB C 32.312 0.051 1 97 10 10 LYS CG C 25.137 0.051 1 98 10 10 LYS CD C 29.038 0.051 1 99 10 10 LYS CE C 41.850 0.051 1 100 10 10 LYS N N 116.905 0.054 1 101 11 11 MET H H 7.887 0.011 1 102 11 11 MET HA H 4.045 0.011 1 103 11 11 MET HB2 H 2.317 0.011 1 104 11 11 MET HB3 H 2.022 0.011 1 105 11 11 MET HG2 H 2.807 0.011 1 106 11 11 MET HG3 H 2.452 0.011 1 107 11 11 MET HE H 1.927 0.011 1 108 11 11 MET CA C 59.623 0.051 1 109 11 11 MET CB C 34.153 0.051 1 110 11 11 MET CG C 32.776 0.051 1 111 11 11 MET CE C 16.955 0.051 1 112 11 11 MET N N 119.948 0.054 1 113 12 12 VAL H H 7.306 0.011 1 114 12 12 VAL HA H 4.489 0.011 1 115 12 12 VAL HB H 1.850 0.011 1 116 12 12 VAL HG1 H 0.704 0.011 1 117 12 12 VAL HG2 H 0.245 0.011 1 118 12 12 VAL CA C 59.347 0.051 1 119 12 12 VAL CB C 29.659 0.051 1 120 12 12 VAL CG1 C 19.406 0.051 1 121 12 12 VAL CG2 C 21.487 0.051 1 122 12 12 VAL N N 107.049 0.054 1 123 13 13 SER H H 7.065 0.011 1 124 13 13 SER HA H 4.046 0.011 1 125 13 13 SER HB2 H 4.032 0.011 1 126 13 13 SER HB3 H 4.145 0.011 1 127 13 13 SER CA C 62.121 0.051 1 128 13 13 SER CB C 63.392 0.051 1 129 13 13 SER N N 116.140 0.054 1 130 14 14 LYS H H 8.744 0.011 1 131 14 14 LYS HA H 4.579 0.011 1 132 14 14 LYS HB2 H 2.128 0.011 1 133 14 14 LYS HB3 H 1.800 0.011 1 134 14 14 LYS HG2 H 1.476 0.011 1 135 14 14 LYS HG3 H 1.549 0.011 1 136 14 14 LYS HD2 H 1.742 0.011 1 137 14 14 LYS HD3 H 1.743 0.011 1 138 14 14 LYS HE2 H 3.042 0.011 1 139 14 14 LYS HE3 H 3.042 0.011 1 140 14 14 LYS CA C 55.731 0.051 1 141 14 14 LYS CB C 31.407 0.051 1 142 14 14 LYS CG C 25.141 0.051 1 143 14 14 LYS CD C 28.716 0.051 1 144 14 14 LYS CE C 41.978 0.051 1 145 14 14 LYS N N 118.483 0.054 1 146 15 15 TYR H H 8.364 0.011 1 147 15 15 TYR HA H 4.260 0.011 1 148 15 15 TYR HB2 H 3.477 0.011 1 149 15 15 TYR HB3 H 3.493 0.011 1 150 15 15 TYR HD1 H 7.455 0.011 1 151 15 15 TYR HD2 H 7.455 0.011 1 152 15 15 TYR HE1 H 6.810 0.011 1 153 15 15 TYR HE2 H 6.810 0.011 1 154 15 15 TYR HH H 9.445 0.011 1 155 15 15 TYR CA C 59.678 0.051 1 156 15 15 TYR CB C 35.139 0.051 1 157 15 15 TYR CD1 C 131.663 0.051 1 158 15 15 TYR CD2 C 131.663 0.051 1 159 15 15 TYR CE1 C 120.153 0.051 1 160 15 15 TYR CE2 C 120.153 0.051 1 161 15 15 TYR N N 125.288 0.054 1 162 16 16 LYS H H 7.891 0.011 1 163 16 16 LYS HA H 3.809 0.011 1 164 16 16 LYS HB2 H 1.524 0.011 1 165 16 16 LYS HB3 H 1.166 0.011 1 166 16 16 LYS HG2 H 1.056 0.011 1 167 16 16 LYS HG3 H 0.731 0.011 1 168 16 16 LYS HD2 H 1.428 0.011 1 169 16 16 LYS HE2 H 2.817 0.011 1 170 16 16 LYS CA C 58.906 0.051 1 171 16 16 LYS CB C 33.009 0.051 1 172 16 16 LYS CG C 25.212 0.051 1 173 16 16 LYS CD C 28.895 0.051 1 174 16 16 LYS CE C 41.850 0.051 1 175 16 16 LYS N N 122.077 0.054 1 176 17 17 TYR H H 10.055 0.011 1 177 17 17 TYR HA H 4.983 0.011 1 178 17 17 TYR HB2 H 3.737 0.011 1 179 17 17 TYR HB3 H 3.182 0.011 1 180 17 17 TYR HD1 H 7.191 0.011 1 181 17 17 TYR HD2 H 7.191 0.011 1 182 17 17 TYR HE1 H 6.666 0.011 1 183 17 17 TYR HE2 H 6.666 0.011 1 184 17 17 TYR CA C 54.898 0.051 1 185 17 17 TYR CB C 35.103 0.051 1 186 17 17 TYR CD1 C 134.157 0.051 1 187 17 17 TYR CD2 C 134.157 0.051 1 188 17 17 TYR CE1 C 117.987 0.051 1 189 17 17 TYR CE2 C 117.987 0.051 1 190 17 17 TYR N N 122.650 0.054 1 191 18 18 ARG H H 7.584 0.011 1 192 18 18 ARG HA H 3.744 0.011 1 193 18 18 ARG HB2 H 2.053 0.011 1 194 18 18 ARG HB3 H 1.884 0.011 1 195 18 18 ARG HG2 H 1.885 0.011 1 196 18 18 ARG HG3 H 1.547 0.011 1 197 18 18 ARG HD2 H 3.280 0.011 1 198 18 18 ARG HD3 H 3.295 0.011 1 199 18 18 ARG CA C 60.809 0.051 1 200 18 18 ARG CB C 30.772 0.051 1 201 18 18 ARG CG C 26.395 0.051 1 202 18 18 ARG CD C 43.614 0.051 1 203 18 18 ARG N N 123.037 0.054 1 204 19 19 ASP H H 8.656 0.011 1 205 19 19 ASP HA H 4.364 0.011 1 206 19 19 ASP HB2 H 2.731 0.011 1 207 19 19 ASP HB3 H 2.731 0.011 1 208 19 19 ASP CA C 57.955 0.051 1 209 19 19 ASP CB C 39.377 0.051 1 210 19 19 ASP N N 118.634 0.054 1 211 20 20 LEU H H 8.216 0.011 1 212 20 20 LEU HA H 4.184 0.011 1 213 20 20 LEU HB2 H 1.931 0.011 1 214 20 20 LEU HB3 H 1.492 0.011 1 215 20 20 LEU HG H 1.927 0.011 1 216 20 20 LEU HD1 H 0.967 0.011 1 217 20 20 LEU HD2 H 0.809 0.011 1 218 20 20 LEU CA C 58.036 0.051 1 219 20 20 LEU CB C 42.129 0.051 1 220 20 20 LEU CG C 27.108 0.051 1 221 20 20 LEU CD1 C 22.860 0.051 1 222 20 20 LEU CD2 C 25.513 0.051 1 223 20 20 LEU N N 120.922 0.054 1 224 21 21 THR H H 8.118 0.011 1 225 21 21 THR HB H 4.300 0.011 1 226 21 21 THR HG1 H 3.851 0.011 1 227 21 21 THR HG2 H 0.958 0.011 1 228 21 21 THR CA C 69.229 0.051 1 229 21 21 THR CB C 68.210 0.051 1 230 21 21 THR CG2 C 21.360 0.051 1 231 21 21 THR N N 116.573 0.054 1 232 22 22 VAL H H 8.762 0.011 1 233 22 22 VAL HA H 3.286 0.011 1 234 22 22 VAL HB H 2.164 0.011 1 235 22 22 VAL HG1 H 0.892 0.011 1 236 22 22 VAL HG2 H 0.879 0.011 1 237 22 22 VAL CA C 67.833 0.051 1 238 22 22 VAL CB C 31.744 0.051 1 239 22 22 VAL CG1 C 21.509 0.051 1 240 22 22 VAL CG2 C 24.293 0.051 1 241 22 22 VAL N N 123.687 0.054 1 242 23 23 ARG H H 7.944 0.011 1 243 23 23 ARG HA H 3.949 0.011 1 244 23 23 ARG HB2 H 1.998 0.011 1 245 23 23 ARG HB3 H 2.018 0.011 1 246 23 23 ARG HG2 H 1.743 0.011 1 247 23 23 ARG HG3 H 1.743 0.011 1 248 23 23 ARG HD2 H 3.256 0.011 1 249 23 23 ARG HD3 H 3.271 0.011 1 250 23 23 ARG CA C 59.449 0.051 1 251 23 23 ARG CB C 29.934 0.051 1 252 23 23 ARG CG C 26.645 0.051 1 253 23 23 ARG CD C 43.327 0.051 1 254 23 23 ARG N N 118.661 0.054 1 255 24 24 GLU H H 7.915 0.011 1 256 24 24 GLU HA H 4.186 0.011 1 257 24 24 GLU HB2 H 2.607 0.011 1 258 24 24 GLU HB3 H 2.181 0.011 1 259 24 24 GLU HG2 H 2.921 0.011 1 260 24 24 GLU HG3 H 2.494 0.011 1 261 24 24 GLU CA C 60.961 0.051 1 262 24 24 GLU CB C 30.207 0.051 1 263 24 24 GLU CG C 37.467 0.051 1 264 24 24 GLU N N 116.229 0.054 1 265 25 25 THR H H 8.004 0.011 1 266 25 25 THR HA H 4.124 0.011 1 267 25 25 THR HB H 3.605 0.011 1 268 25 25 THR HG1 H 3.915 0.011 1 269 25 25 THR HG2 H 1.022 0.011 1 270 25 25 THR CA C 67.314 0.051 1 271 25 25 THR CB C 68.519 0.051 1 272 25 25 THR CG2 C 22.364 0.051 1 273 25 25 THR N N 116.093 0.054 1 274 26 26 VAL H H 8.750 0.011 1 275 26 26 VAL HA H 3.458 0.011 1 276 26 26 VAL HB H 2.088 0.011 1 277 26 26 VAL HG1 H 0.869 0.011 1 278 26 26 VAL HG2 H 0.942 0.011 1 279 26 26 VAL CA C 66.993 0.051 1 280 26 26 VAL CB C 31.477 0.051 1 281 26 26 VAL CG1 C 21.107 0.051 1 282 26 26 VAL CG2 C 23.380 0.051 1 283 26 26 VAL N N 121.593 0.054 1 284 27 27 ASN H H 7.834 0.011 1 285 27 27 ASN HA H 4.457 0.011 1 286 27 27 ASN HB2 H 3.061 0.011 1 287 27 27 ASN HB3 H 2.800 0.011 1 288 27 27 ASN HD21 H 7.672 0.011 1 289 27 27 ASN HD22 H 6.851 0.011 1 290 27 27 ASN CA C 55.958 0.051 1 291 27 27 ASN CB C 37.678 0.051 1 292 27 27 ASN N N 119.713 0.054 1 293 27 27 ASN ND2 N 111.138 0.054 1 294 28 28 VAL H H 7.858 0.011 1 295 28 28 VAL HA H 3.945 0.011 1 296 28 28 VAL HB H 2.238 0.011 1 297 28 28 VAL HG1 H 1.078 0.011 1 298 28 28 VAL HG2 H 0.939 0.011 1 299 28 28 VAL CA C 66.861 0.051 1 300 28 28 VAL CB C 31.959 0.051 1 301 28 28 VAL CG1 C 24.779 0.051 1 302 28 28 VAL CG2 C 22.828 0.051 1 303 28 28 VAL N N 118.490 0.054 1 304 29 29 ILE H H 8.397 0.011 1 305 29 29 ILE HA H 4.318 0.011 1 306 29 29 ILE HB H 2.269 0.011 1 307 29 29 ILE HG12 H 1.590 0.011 1 308 29 29 ILE HG13 H 1.388 0.011 1 309 29 29 ILE HG2 H 0.856 0.011 1 310 29 29 ILE HD1 H 0.806 0.011 1 311 29 29 ILE CA C 64.037 0.051 1 312 29 29 ILE CB C 36.612 0.051 1 313 29 29 ILE CG1 C 25.866 0.051 1 314 29 29 ILE CG2 C 18.059 0.051 1 315 29 29 ILE CD1 C 13.956 0.051 1 316 29 29 ILE N N 114.632 0.054 1 317 30 30 THR H H 7.622 0.011 1 318 30 30 THR HA H 3.954 0.011 1 319 30 30 THR HB H 4.193 0.011 1 320 30 30 THR HG2 H 1.200 0.011 1 321 30 30 THR CA C 65.613 0.051 1 322 30 30 THR CB C 69.108 0.051 1 323 30 30 THR CG2 C 20.963 0.051 1 324 30 30 THR N N 115.523 0.054 1 325 31 31 LEU H H 6.854 0.011 1 326 31 31 LEU HA H 4.145 0.011 1 327 31 31 LEU HB2 H 1.390 0.011 1 328 31 31 LEU HB3 H 1.151 0.011 1 329 31 31 LEU HG H 0.961 0.011 1 330 31 31 LEU HD1 H 0.685 0.011 1 331 31 31 LEU HD2 H 0.788 0.011 1 332 31 31 LEU CA C 56.296 0.051 1 333 31 31 LEU CB C 43.863 0.051 1 334 31 31 LEU CG C 26.959 0.051 1 335 31 31 LEU CD1 C 24.316 0.051 1 336 31 31 LEU CD2 C 24.141 0.051 1 337 31 31 LEU N N 121.761 0.054 1 338 32 32 TYR H H 8.549 0.011 1 339 32 32 TYR HA H 4.527 0.011 1 340 32 32 TYR HB2 H 3.250 0.011 1 341 32 32 TYR HB3 H 2.771 0.011 1 342 32 32 TYR HD1 H 7.136 0.011 1 343 32 32 TYR HD2 H 7.136 0.011 1 344 32 32 TYR HE1 H 6.675 0.011 1 345 32 32 TYR HE2 H 6.675 0.011 1 346 32 32 TYR CA C 58.027 0.051 1 347 32 32 TYR CB C 36.165 0.051 1 348 32 32 TYR CD1 C 132.825 0.051 1 349 32 32 TYR CD2 C 132.825 0.051 1 350 32 32 TYR N N 122.099 0.054 1 351 33 33 LYS H H 7.495 0.011 1 352 33 33 LYS HA H 4.319 0.011 1 353 33 33 LYS HB2 H 1.748 0.011 1 354 33 33 LYS HB3 H 1.868 0.011 1 355 33 33 LYS HG2 H 1.339 0.011 1 356 33 33 LYS HG3 H 1.436 0.011 1 357 33 33 LYS HD2 H 1.653 0.011 1 358 33 33 LYS HE2 H 3.012 0.011 1 359 33 33 LYS CA C 57.717 0.051 1 360 33 33 LYS CB C 32.275 0.051 1 361 33 33 LYS CG C 24.590 0.051 1 362 33 33 LYS CD C 29.070 0.051 1 363 33 33 LYS N N 116.533 0.054 1 364 34 34 ASP H H 8.781 0.011 1 365 34 34 ASP HA H 4.960 0.011 1 366 34 34 ASP HB2 H 2.942 0.011 1 367 34 34 ASP HB3 H 2.491 0.011 1 368 34 34 ASP CA C 54.051 0.051 1 369 34 34 ASP CB C 41.707 0.051 1 370 34 34 ASP N N 118.713 0.054 1 371 35 35 LEU H H 7.611 0.011 1 372 35 35 LEU HA H 4.651 0.011 1 373 35 35 LEU HB2 H 1.972 0.011 1 374 35 35 LEU HB3 H 0.824 0.011 1 375 35 35 LEU HG H 1.506 0.011 1 376 35 35 LEU HD1 H 0.300 0.011 1 377 35 35 LEU HD2 H 0.502 0.011 1 378 35 35 LEU CA C 53.924 0.051 1 379 35 35 LEU CB C 44.125 0.051 1 380 35 35 LEU CG C 25.842 0.051 1 381 35 35 LEU CD1 C 22.825 0.051 1 382 35 35 LEU CD2 C 25.746 0.051 1 383 35 35 LEU N N 120.077 0.054 1 384 36 36 LYS H H 8.637 0.011 1 385 36 36 LYS HA H 4.907 0.011 1 386 36 36 LYS HB2 H 1.735 0.011 1 387 36 36 LYS HB3 H 1.735 0.011 1 388 36 36 LYS HG2 H 1.381 0.011 1 389 36 36 LYS HG3 H 1.329 0.011 1 390 36 36 LYS HD2 H 1.580 0.011 1 391 36 36 LYS HD3 H 1.580 0.011 1 392 36 36 LYS HE2 H 2.904 0.011 1 393 36 36 LYS HE3 H 2.904 0.011 1 394 36 36 LYS CA C 52.462 0.051 1 395 36 36 LYS CB C 34.792 0.051 1 396 36 36 LYS CG C 24.042 0.051 1 397 36 36 LYS CD C 28.826 0.051 1 398 36 36 LYS CE C 42.093 0.051 1 399 36 36 LYS N N 120.220 0.054 1 400 37 37 PRO HA H 5.263 0.011 1 401 37 37 PRO HB2 H 1.897 0.011 1 402 37 37 PRO HB3 H 1.879 0.011 1 403 37 37 PRO HG2 H 2.139 0.011 1 404 37 37 PRO HG3 H 1.704 0.011 1 405 37 37 PRO HD2 H 3.654 0.011 1 406 37 37 PRO HD3 H 3.751 0.011 1 407 37 37 PRO CA C 61.361 0.051 1 408 37 37 PRO CB C 32.162 0.051 1 409 37 37 PRO CG C 27.590 0.051 1 410 37 37 PRO CD C 50.227 0.051 1 411 38 38 VAL H H 9.074 0.011 1 412 38 38 VAL HA H 4.163 0.011 1 413 38 38 VAL HB H 1.941 0.011 1 414 38 38 VAL HG1 H 0.759 0.011 1 415 38 38 VAL HG2 H 0.723 0.011 1 416 38 38 VAL CA C 60.772 0.051 1 417 38 38 VAL CB C 35.845 0.051 1 418 38 38 VAL CG1 C 21.463 0.051 1 419 38 38 VAL CG2 C 20.749 0.051 1 420 38 38 VAL N N 123.004 0.054 1 421 39 39 LEU H H 8.206 0.011 1 422 39 39 LEU HA H 5.043 0.011 1 423 39 39 LEU HB2 H 1.487 0.011 1 424 39 39 LEU HB3 H 1.490 0.011 1 425 39 39 LEU HG H 1.485 0.011 1 426 39 39 LEU HD1 H 0.880 0.011 1 427 39 39 LEU HD2 H 0.912 0.011 1 428 39 39 LEU CA C 53.493 0.051 1 429 39 39 LEU CB C 43.791 0.051 1 430 39 39 LEU CG C 27.001 0.051 1 431 39 39 LEU CD1 C 23.918 0.051 1 432 39 39 LEU CD2 C 24.597 0.051 1 433 39 39 LEU N N 124.017 0.054 1 434 40 40 ASP H H 9.159 0.011 1 435 40 40 ASP HA H 5.030 0.011 1 436 40 40 ASP HB2 H 2.720 0.011 1 437 40 40 ASP HB3 H 2.546 0.011 1 438 40 40 ASP CA C 52.618 0.051 1 439 40 40 ASP CB C 45.050 0.051 1 440 40 40 ASP N N 125.057 0.054 1 441 41 41 SER H H 9.267 0.011 1 442 41 41 SER HA H 4.788 0.011 1 443 41 41 SER HB2 H 3.596 0.011 1 444 41 41 SER HB3 H 3.720 0.011 1 445 41 41 SER CA C 58.212 0.051 1 446 41 41 SER CB C 63.358 0.051 1 447 41 41 SER N N 117.210 0.054 1 448 42 42 TYR H H 8.688 0.011 1 449 42 42 TYR HA H 3.496 0.011 1 450 42 42 TYR HB2 H 1.572 0.011 1 451 42 42 TYR HB3 H 2.185 0.011 1 452 42 42 TYR HD1 H 6.903 0.011 1 453 42 42 TYR HD2 H 6.903 0.011 1 454 42 42 TYR HE1 H 5.683 0.011 1 455 42 42 TYR HE2 H 5.683 0.011 1 456 42 42 TYR CA C 57.878 0.051 1 457 42 42 TYR CB C 40.362 0.051 1 458 42 42 TYR CE1 C 117.267 0.051 1 459 42 42 TYR CE2 C 117.267 0.051 1 460 42 42 TYR N N 130.179 0.054 1 461 43 43 VAL H H 6.383 0.011 1 462 43 43 VAL HA H 4.299 0.011 1 463 43 43 VAL HB H 1.554 0.011 1 464 43 43 VAL HG1 H 0.782 0.011 1 465 43 43 VAL HG2 H 0.725 0.011 1 466 43 43 VAL CA C 61.185 0.051 1 467 43 43 VAL CB C 32.097 0.051 1 468 43 43 VAL CG1 C 20.744 0.051 1 469 43 43 VAL CG2 C 20.947 0.051 1 470 43 43 VAL N N 125.865 0.054 1 471 44 44 PHE H H 8.748 0.011 1 472 44 44 PHE HA H 4.367 0.011 1 473 44 44 PHE HB2 H 3.270 0.011 1 474 44 44 PHE HB3 H 3.061 0.011 1 475 44 44 PHE HD1 H 7.379 0.011 1 476 44 44 PHE HD2 H 7.379 0.011 1 477 44 44 PHE HE1 H 7.148 0.011 1 478 44 44 PHE HE2 H 7.148 0.011 1 479 44 44 PHE HZ H 7.000 0.011 1 480 44 44 PHE CA C 58.050 0.051 1 481 44 44 PHE CB C 40.102 0.051 1 482 44 44 PHE CD1 C 132.526 0.051 1 483 44 44 PHE CD2 C 132.526 0.051 1 484 44 44 PHE CE1 C 131.055 0.051 1 485 44 44 PHE CE2 C 131.055 0.051 1 486 44 44 PHE CZ C 128.971 0.051 1 487 44 44 PHE N N 125.594 0.054 1 488 45 45 ASN H H 9.047 0.011 1 489 45 45 ASN HA H 4.386 0.011 1 490 45 45 ASN HB2 H 2.891 0.011 1 491 45 45 ASN HB3 H 2.899 0.011 1 492 45 45 ASN HD21 H 7.686 0.011 1 493 45 45 ASN HD22 H 6.979 0.011 1 494 45 45 ASN CA C 55.926 0.051 1 495 45 45 ASN CB C 37.908 0.051 1 496 45 45 ASN N N 119.723 0.054 1 497 45 45 ASN ND2 N 112.810 0.054 1 498 46 46 ASP H H 7.782 0.011 1 499 46 46 ASP HA H 4.529 0.011 1 500 46 46 ASP HB2 H 3.054 0.011 1 501 46 46 ASP HB3 H 2.575 0.011 1 502 46 46 ASP CA C 53.140 0.051 1 503 46 46 ASP CB C 39.843 0.051 1 504 46 46 ASP N N 116.022 0.054 1 505 47 47 GLY H H 8.172 0.011 1 506 47 47 GLY HA2 H 4.290 0.011 1 507 47 47 GLY HA3 H 3.509 0.011 1 508 47 47 GLY CA C 44.997 0.051 1 509 47 47 GLY N N 109.215 0.054 1 510 48 48 SER H H 8.238 0.011 1 511 48 48 SER HA H 4.435 0.011 1 512 48 48 SER HB2 H 3.863 0.011 1 513 48 48 SER HB3 H 3.978 0.011 1 514 48 48 SER CA C 58.640 0.051 1 515 48 48 SER CB C 64.304 0.051 1 516 48 48 SER N N 118.502 0.054 1 517 49 49 SER H H 8.452 0.011 1 518 49 49 SER HA H 5.885 0.011 1 519 49 49 SER HB2 H 3.627 0.011 1 520 49 49 SER HB3 H 3.643 0.011 1 521 49 49 SER CA C 56.576 0.051 1 522 49 49 SER CB C 66.778 0.051 1 523 49 49 SER N N 112.809 0.054 1 524 50 50 ARG H H 8.615 0.011 1 525 50 50 ARG HA H 4.669 0.011 1 526 50 50 ARG HB2 H 1.884 0.011 1 527 50 50 ARG HB3 H 1.884 0.011 1 528 50 50 ARG HG2 H 1.697 0.011 1 529 50 50 ARG HG3 H 1.702 0.011 1 530 50 50 ARG HD2 H 3.284 0.011 1 531 50 50 ARG HD3 H 3.101 0.011 1 532 50 50 ARG CA C 54.993 0.051 1 533 50 50 ARG CB C 34.628 0.051 1 534 50 50 ARG CG C 26.972 0.051 1 535 50 50 ARG CD C 43.416 0.051 1 536 50 50 ARG N N 121.079 0.054 1 537 51 51 GLU H H 8.613 0.011 1 538 51 51 GLU HA H 4.805 0.011 1 539 51 51 GLU HB2 H 1.988 0.011 1 540 51 51 GLU HB3 H 1.989 0.011 1 541 51 51 GLU HG2 H 2.129 0.011 1 542 51 51 GLU HG3 H 2.173 0.011 1 543 51 51 GLU CA C 56.685 0.051 1 544 51 51 GLU CB C 30.065 0.051 1 545 51 51 GLU CG C 37.148 0.051 1 546 51 51 GLU N N 124.540 0.054 1 547 52 52 LEU H H 9.174 0.011 1 548 52 52 LEU HA H 5.110 0.011 1 549 52 52 LEU HB2 H 1.848 0.011 1 550 52 52 LEU HB3 H 1.982 0.011 1 551 52 52 LEU HG H 1.642 0.011 1 552 52 52 LEU HD1 H 1.115 0.011 1 553 52 52 LEU HD2 H 0.619 0.011 1 554 52 52 LEU CA C 53.251 0.051 1 555 52 52 LEU CB C 47.215 0.051 1 556 52 52 LEU CG C 26.965 0.051 1 557 52 52 LEU CD1 C 22.449 0.051 1 558 52 52 LEU CD2 C 26.545 0.051 1 559 52 52 LEU N N 128.265 0.054 1 560 53 53 MET H H 9.019 0.011 1 561 53 53 MET HA H 5.001 0.011 1 562 53 53 MET HB2 H 1.482 0.011 1 563 53 53 MET HB3 H 1.957 0.011 1 564 53 53 MET HG2 H 2.133 0.011 1 565 53 53 MET HG3 H 1.944 0.011 1 566 53 53 MET HE H 1.645 0.011 1 567 53 53 MET CA C 55.115 0.051 1 568 53 53 MET CB C 34.740 0.051 1 569 53 53 MET CG C 32.010 0.051 1 570 53 53 MET CE C 18.034 0.051 1 571 53 53 MET N N 120.879 0.054 1 572 54 54 ASN H H 9.125 0.011 1 573 54 54 ASN HA H 5.226 0.011 1 574 54 54 ASN HB2 H 1.393 0.011 1 575 54 54 ASN HB3 H 1.393 0.011 1 576 54 54 ASN HD21 H 6.950 0.011 1 577 54 54 ASN HD22 H 7.275 0.011 1 578 54 54 ASN CA C 50.396 0.051 1 579 54 54 ASN CB C 41.494 0.051 1 580 54 54 ASN N N 122.928 0.054 1 581 54 54 ASN ND2 N 113.698 0.054 1 582 55 55 LEU H H 8.493 0.011 1 583 55 55 LEU HA H 4.840 0.011 1 584 55 55 LEU HB2 H 0.979 0.011 1 585 55 55 LEU HB3 H 1.542 0.011 1 586 55 55 LEU HG H 1.437 0.011 1 587 55 55 LEU HD1 H 0.615 0.011 1 588 55 55 LEU HD2 H 0.726 0.011 1 589 55 55 LEU CA C 53.195 0.051 1 590 55 55 LEU CB C 43.593 0.051 1 591 55 55 LEU CG C 27.490 0.051 1 592 55 55 LEU CD1 C 24.275 0.051 1 593 55 55 LEU CD2 C 25.736 0.051 1 594 55 55 LEU N N 119.424 0.054 1 595 56 56 THR H H 8.474 0.011 1 596 56 56 THR HA H 5.034 0.011 1 597 56 56 THR HB H 3.887 0.011 1 598 56 56 THR HG2 H 1.025 0.011 1 599 56 56 THR CA C 59.433 0.051 1 600 56 56 THR CB C 71.261 0.051 1 601 56 56 THR CG2 C 20.081 0.051 1 602 56 56 THR N N 116.190 0.054 1 603 57 57 GLY H H 7.937 0.011 1 604 57 57 GLY HA2 H 5.498 0.011 1 605 57 57 GLY HA3 H 3.784 0.011 1 606 57 57 GLY CA C 44.408 0.051 1 607 57 57 GLY N N 115.174 0.054 1 608 58 58 THR H H 7.506 0.011 1 609 58 58 THR HA H 5.536 0.011 1 610 58 58 THR HB H 3.528 0.011 1 611 58 58 THR HG2 H 0.818 0.011 1 612 58 58 THR CA C 58.928 0.051 1 613 58 58 THR CB C 71.914 0.051 1 614 58 58 THR CG2 C 20.356 0.051 1 615 58 58 THR N N 111.915 0.054 1 616 59 59 ILE H H 7.902 0.011 1 617 59 59 ILE HA H 4.800 0.011 1 618 59 59 ILE HB H 1.420 0.011 1 619 59 59 ILE HG12 H 1.036 0.011 1 620 59 59 ILE HG13 H 1.624 0.011 1 621 59 59 ILE HG2 H 0.640 0.011 1 622 59 59 ILE HD1 H 0.688 0.011 1 623 59 59 ILE CA C 57.011 0.051 1 624 59 59 ILE CB C 40.003 0.051 1 625 59 59 ILE CG2 C 19.031 0.051 1 626 59 59 ILE CD1 C 14.028 0.051 1 627 59 59 ILE N N 110.433 0.054 1 628 60 60 PRO HA H 4.925 0.011 1 629 60 60 PRO HB2 H 1.881 0.011 1 630 60 60 PRO HB3 H 1.939 0.011 1 631 60 60 PRO HG2 H 2.584 0.011 1 632 60 60 PRO HG3 H 2.280 0.011 1 633 60 60 PRO HD2 H 3.956 0.011 1 634 60 60 PRO HD3 H 3.643 0.011 1 635 60 60 PRO CA C 61.573 0.051 1 636 60 60 PRO CB C 31.188 0.051 1 637 60 60 PRO CG C 27.005 0.051 1 638 60 60 PRO CD C 50.049 0.051 1 639 61 61 VAL H H 9.192 0.011 1 640 61 61 VAL HB H 2.198 0.011 1 641 61 61 VAL HG1 H 0.991 0.011 1 642 61 61 VAL HG2 H 0.994 0.011 1 643 61 61 VAL CB C 35.182 0.051 1 644 61 61 VAL CG2 C 20.990 0.051 1 645 61 61 VAL N N 124.707 0.054 1 646 62 62 PRO HA H 5.019 0.011 1 647 62 62 PRO HB2 H 2.199 0.011 1 648 62 62 PRO HB3 H 1.953 0.011 1 649 62 62 PRO HG2 H 2.224 0.011 1 650 62 62 PRO HG3 H 1.954 0.011 1 651 62 62 PRO HD2 H 3.867 0.011 1 652 62 62 PRO HD3 H 3.876 0.011 1 653 62 62 PRO CA C 62.173 0.051 1 654 62 62 PRO CB C 31.900 0.051 1 655 62 62 PRO CG C 27.367 0.051 1 656 62 62 PRO CD C 51.377 0.051 1 657 63 63 TYR H H 9.031 0.011 1 658 63 63 TYR HA H 4.815 0.011 1 659 63 63 TYR HB2 H 2.757 0.011 1 660 63 63 TYR HB3 H 3.016 0.011 1 661 63 63 TYR HD1 H 7.249 0.011 1 662 63 63 TYR HD2 H 7.249 0.011 1 663 63 63 TYR HE1 H 6.782 0.011 1 664 63 63 TYR HE2 H 6.782 0.011 1 665 63 63 TYR CA C 58.436 0.051 1 666 63 63 TYR CB C 40.204 0.051 1 667 63 63 TYR CD1 C 133.914 0.051 1 668 63 63 TYR CD2 C 133.914 0.051 1 669 63 63 TYR CE1 C 117.966 0.051 1 670 63 63 TYR CE2 C 117.966 0.051 1 671 63 63 TYR N N 123.918 0.054 1 672 64 64 ARG H H 9.273 0.011 1 673 64 64 ARG HA H 3.647 0.011 1 674 64 64 ARG HB2 H 1.314 0.011 1 675 64 64 ARG HB3 H 1.746 0.011 1 676 64 64 ARG HG2 H 0.595 0.011 1 677 64 64 ARG HG3 H 0.972 0.011 1 678 64 64 ARG HD2 H 2.867 0.011 1 679 64 64 ARG HD3 H 2.913 0.011 1 680 64 64 ARG CA C 56.883 0.051 1 681 64 64 ARG CB C 28.080 0.051 1 682 64 64 ARG CG C 26.889 0.051 1 683 64 64 ARG CD C 43.532 0.051 1 684 64 64 ARG N N 126.810 0.054 1 685 65 65 GLY H H 8.536 0.011 1 686 65 65 GLY HA2 H 4.158 0.011 1 687 65 65 GLY HA3 H 3.567 0.011 1 688 65 65 GLY CA C 45.398 0.051 1 689 65 65 GLY N N 104.614 0.054 1 690 66 66 ASN H H 7.878 0.011 1 691 66 66 ASN HA H 5.025 0.011 1 692 66 66 ASN HB2 H 2.629 0.011 1 693 66 66 ASN HB3 H 2.601 0.011 1 694 66 66 ASN HD21 H 6.962 0.011 1 695 66 66 ASN HD22 H 7.387 0.011 1 696 66 66 ASN CA C 51.609 0.051 1 697 66 66 ASN CB C 42.036 0.051 1 698 66 66 ASN N N 119.163 0.054 1 699 66 66 ASN ND2 N 113.992 0.054 1 700 67 67 THR H H 8.715 0.011 1 701 67 67 THR HA H 4.573 0.011 1 702 67 67 THR HB H 3.834 0.011 1 703 67 67 THR HG2 H 0.947 0.011 1 704 67 67 THR CA C 63.108 0.051 1 705 67 67 THR CB C 69.582 0.051 1 706 67 67 THR CG2 C 22.081 0.051 1 707 67 67 THR N N 118.384 0.054 1 708 68 68 TYR H H 9.136 0.011 1 709 68 68 TYR HA H 4.612 0.011 1 710 68 68 TYR HB2 H 2.825 0.011 1 711 68 68 TYR HB3 H 2.894 0.011 1 712 68 68 TYR HD1 H 7.049 0.011 1 713 68 68 TYR HD2 H 7.049 0.011 1 714 68 68 TYR HE1 H 6.866 0.011 1 715 68 68 TYR HE2 H 6.866 0.011 1 716 68 68 TYR CA C 55.882 0.051 1 717 68 68 TYR CB C 39.975 0.051 1 718 68 68 TYR CD1 C 132.425 0.051 1 719 68 68 TYR CD2 C 132.425 0.051 1 720 68 68 TYR CE1 C 118.139 0.051 1 721 68 68 TYR CE2 C 118.139 0.051 1 722 68 68 TYR N N 128.972 0.054 1 723 69 69 ASN H H 8.781 0.011 1 724 69 69 ASN HA H 5.250 0.011 1 725 69 69 ASN HB2 H 2.695 0.011 1 726 69 69 ASN HB3 H 2.167 0.011 1 727 69 69 ASN HD21 H 7.569 0.011 1 728 69 69 ASN HD22 H 6.764 0.011 1 729 69 69 ASN CA C 52.205 0.051 1 730 69 69 ASN CB C 38.156 0.051 1 731 69 69 ASN N N 123.244 0.054 1 732 69 69 ASN ND2 N 115.269 0.054 1 733 70 70 ILE H H 8.942 0.011 1 734 70 70 ILE HA H 4.333 0.011 1 735 70 70 ILE HB H 1.983 0.011 1 736 70 70 ILE HG12 H 1.426 0.011 1 737 70 70 ILE HG13 H 1.285 0.011 1 738 70 70 ILE HG2 H 0.583 0.011 1 739 70 70 ILE HD1 H 0.581 0.011 1 740 70 70 ILE CA C 56.850 0.051 1 741 70 70 ILE CB C 38.014 0.051 1 742 70 70 ILE CG1 C 27.746 0.051 1 743 70 70 ILE CG2 C 16.376 0.051 1 744 70 70 ILE CD1 C 11.274 0.051 1 745 70 70 ILE N N 127.489 0.054 1 746 71 71 PRO HA H 5.015 0.011 1 747 71 71 PRO HB2 H 2.242 0.011 1 748 71 71 PRO HB3 H 1.963 0.011 1 749 71 71 PRO HG2 H 2.243 0.011 1 750 71 71 PRO HG3 H 1.874 0.011 1 751 71 71 PRO HD2 H 4.045 0.011 1 752 71 71 PRO HD3 H 3.436 0.011 1 753 71 71 PRO CA C 61.523 0.051 1 754 71 71 PRO CB C 31.533 0.051 1 755 71 71 PRO CG C 28.182 0.051 1 756 71 71 PRO CD C 51.192 0.051 1 757 72 72 ILE H H 8.760 0.011 1 758 72 72 ILE HA H 5.414 0.011 1 759 72 72 ILE HB H 1.691 0.011 1 760 72 72 ILE HG12 H 1.076 0.011 1 761 72 72 ILE HG13 H 1.076 0.011 1 762 72 72 ILE HG2 H 0.841 0.011 1 763 72 72 ILE HD1 H 0.621 0.011 1 764 72 72 ILE CA C 58.736 0.051 1 765 72 72 ILE CB C 44.632 0.051 1 766 72 72 ILE CG1 C 24.874 0.051 1 767 72 72 ILE CG2 C 17.398 0.051 1 768 72 72 ILE CD1 C 15.128 0.051 1 769 72 72 ILE N N 117.488 0.054 1 770 73 73 CYS H H 8.896 0.011 1 771 73 73 CYS HA H 5.185 0.011 1 772 73 73 CYS HB2 H 3.025 0.011 1 773 73 73 CYS HB3 H 3.018 0.011 1 774 73 73 CYS CA C 54.438 0.051 1 775 73 73 CYS CB C 47.399 0.051 1 776 73 73 CYS N N 117.472 0.054 1 777 74 74 LEU H H 8.879 0.011 1 778 74 74 LEU HA H 5.121 0.011 1 779 74 74 LEU HB2 H 1.747 0.011 1 780 74 74 LEU HB3 H 1.157 0.011 1 781 74 74 LEU HG H 1.781 0.011 1 782 74 74 LEU HD1 H 0.709 0.011 1 783 74 74 LEU HD2 H 0.672 0.011 1 784 74 74 LEU CA C 53.081 0.051 1 785 74 74 LEU CB C 43.661 0.051 1 786 74 74 LEU CD1 C 25.537 0.051 1 787 74 74 LEU CD2 C 25.969 0.051 1 788 74 74 LEU N N 125.621 0.054 1 789 75 75 TRP H H 9.515 0.011 1 790 75 75 TRP HA H 4.589 0.011 1 791 75 75 TRP HB2 H 3.089 0.011 1 792 75 75 TRP HB3 H 2.614 0.011 1 793 75 75 TRP HD1 H 6.930 0.011 1 794 75 75 TRP HE1 H 9.926 0.011 1 795 75 75 TRP HE3 H 7.269 0.011 1 796 75 75 TRP HZ2 H 6.572 0.011 1 797 75 75 TRP HZ3 H 6.666 0.011 1 798 75 75 TRP HH2 H 7.120 0.011 1 799 75 75 TRP CA C 57.019 0.051 1 800 75 75 TRP CB C 30.240 0.051 1 801 75 75 TRP CD1 C 128.618 0.051 1 802 75 75 TRP CE3 C 120.578 0.051 1 803 75 75 TRP CZ3 C 119.711 0.051 1 804 75 75 TRP CH2 C 123.564 0.051 1 805 75 75 TRP N N 123.816 0.054 1 806 75 75 TRP NE1 N 129.605 0.054 1 807 76 76 LEU H H 8.408 0.011 1 808 76 76 LEU HA H 4.588 0.011 1 809 76 76 LEU HB2 H 1.238 0.011 1 810 76 76 LEU HB3 H 1.904 0.011 1 811 76 76 LEU HG H 1.264 0.011 1 812 76 76 LEU HD1 H 0.398 0.011 1 813 76 76 LEU HD2 H 0.111 0.011 1 814 76 76 LEU CA C 53.445 0.051 1 815 76 76 LEU CB C 41.002 0.051 1 816 76 76 LEU CG C 27.936 0.051 1 817 76 76 LEU CD1 C 25.098 0.051 1 818 76 76 LEU CD2 C 23.470 0.051 1 819 76 76 LEU N N 122.353 0.054 1 820 77 77 LEU H H 8.741 0.011 1 821 77 77 LEU HA H 4.299 0.011 1 822 77 77 LEU HB2 H 1.771 0.011 1 823 77 77 LEU HB3 H 1.584 0.011 1 824 77 77 LEU HG H 1.512 0.011 1 825 77 77 LEU HD1 H 0.700 0.011 1 826 77 77 LEU HD2 H 0.789 0.011 1 827 77 77 LEU CA C 55.417 0.051 1 828 77 77 LEU CB C 41.574 0.051 1 829 77 77 LEU CG C 27.734 0.051 1 830 77 77 LEU CD2 C 22.164 0.051 1 831 77 77 LEU N N 124.398 0.054 1 832 78 78 ASP H H 8.363 0.011 1 833 78 78 ASP HA H 2.976 0.011 1 834 78 78 ASP HB2 H 2.054 0.011 1 835 78 78 ASP HB3 H 2.518 0.011 1 836 78 78 ASP CA C 55.529 0.051 1 837 78 78 ASP CB C 39.099 0.051 1 838 78 78 ASP N N 115.762 0.054 1 839 79 79 THR H H 6.946 0.011 1 840 79 79 THR HA H 4.396 0.011 1 841 79 79 THR HB H 4.846 0.011 1 842 79 79 THR HG2 H 1.213 0.011 1 843 79 79 THR CA C 60.781 0.051 1 844 79 79 THR CB C 68.465 0.051 1 845 79 79 THR CG2 C 22.447 0.051 1 846 79 79 THR N N 107.611 0.054 1 847 80 80 TYR H H 8.415 0.011 1 848 80 80 TYR HA H 4.075 0.011 1 849 80 80 TYR HB2 H 3.292 0.011 1 850 80 80 TYR HB3 H 3.531 0.011 1 851 80 80 TYR HD1 H 7.273 0.011 1 852 80 80 TYR HD2 H 7.273 0.011 1 853 80 80 TYR HE1 H 7.401 0.011 1 854 80 80 TYR HE2 H 7.401 0.011 1 855 80 80 TYR CA C 60.209 0.051 1 856 80 80 TYR CB C 38.881 0.051 1 857 80 80 TYR N N 127.329 0.054 1 858 81 81 PRO HA H 2.545 0.011 1 859 81 81 PRO HB2 H 1.431 0.011 1 860 81 81 PRO HB3 H 2.271 0.011 1 861 81 81 PRO HG2 H -0.334 0.011 1 862 81 81 PRO HG3 H 0.928 0.011 1 863 81 81 PRO HD2 H 2.904 0.011 1 864 81 81 PRO HD3 H 3.230 0.011 1 865 81 81 PRO CA C 62.378 0.051 1 866 81 81 PRO CB C 34.226 0.051 1 867 81 81 PRO CG C 22.963 0.051 1 868 81 81 PRO CD C 50.469 0.051 1 869 82 82 TYR H H 8.760 0.011 1 870 82 82 TYR HA H 4.206 0.011 1 871 82 82 TYR HB2 H 3.153 0.011 1 872 82 82 TYR HB3 H 2.852 0.011 1 873 82 82 TYR HD1 H 6.742 0.011 1 874 82 82 TYR HD2 H 6.742 0.011 1 875 82 82 TYR HE1 H 5.993 0.011 1 876 82 82 TYR HE2 H 5.993 0.011 1 877 82 82 TYR CA C 61.456 0.051 1 878 82 82 TYR CB C 37.295 0.051 1 879 82 82 TYR CD1 C 132.647 0.051 1 880 82 82 TYR CD2 C 132.647 0.051 1 881 82 82 TYR CE1 C 117.272 0.051 1 882 82 82 TYR CE2 C 117.272 0.051 1 883 82 82 TYR N N 124.745 0.054 1 884 83 83 ASN H H 6.729 0.011 1 885 83 83 ASN HA H 5.035 0.011 1 886 83 83 ASN HB2 H 2.659 0.011 1 887 83 83 ASN HB3 H 1.995 0.011 1 888 83 83 ASN HD21 H 7.047 0.011 1 889 83 83 ASN HD22 H 7.914 0.011 1 890 83 83 ASN CA C 50.622 0.051 1 891 83 83 ASN CB C 41.363 0.051 1 892 83 83 ASN N N 114.932 0.054 1 893 83 83 ASN ND2 N 113.694 0.054 1 894 84 84 PRO HA H 4.225 0.011 1 895 84 84 PRO HB2 H 2.198 0.011 1 896 84 84 PRO HB3 H 1.889 0.011 1 897 84 84 PRO HG2 H 1.881 0.011 1 898 84 84 PRO HG3 H 2.208 0.011 1 899 84 84 PRO HD2 H 3.480 0.011 1 900 84 84 PRO HD3 H 3.746 0.011 1 901 84 84 PRO CA C 64.823 0.051 1 902 84 84 PRO CB C 32.037 0.051 1 903 84 84 PRO CG C 26.066 0.051 1 904 84 84 PRO CD C 50.592 0.051 1 905 85 85 PRO HA H 4.818 0.011 1 906 85 85 PRO HB2 H 1.510 0.011 1 907 85 85 PRO HB3 H 1.820 0.011 1 908 85 85 PRO HG2 H 1.406 0.011 1 909 85 85 PRO HG3 H 1.448 0.011 1 910 85 85 PRO HD2 H 2.336 0.011 1 911 85 85 PRO HD3 H 2.336 0.011 1 912 85 85 PRO CA C 61.871 0.051 1 913 85 85 PRO CB C 32.177 0.051 1 914 85 85 PRO CG C 27.262 0.051 1 915 86 86 ILE H H 8.406 0.011 1 916 86 86 ILE HA H 4.053 0.011 1 917 86 86 ILE HB H 1.804 0.011 1 918 86 86 ILE HG12 H 1.442 0.011 1 919 86 86 ILE HG13 H 1.036 0.011 1 920 86 86 ILE HG2 H 0.971 0.011 1 921 86 86 ILE HD1 H 0.634 0.011 1 922 86 86 ILE CA C 61.749 0.051 1 923 86 86 ILE CB C 38.831 0.051 1 924 86 86 ILE CG1 C 27.353 0.051 1 925 86 86 ILE CG2 C 19.287 0.051 1 926 86 86 ILE CD1 C 13.232 0.051 1 927 86 86 ILE N N 121.599 0.054 1 928 87 87 CYS H H 8.759 0.011 1 929 87 87 CYS HA H 5.272 0.011 1 930 87 87 CYS HB2 H 2.347 0.011 1 931 87 87 CYS HB3 H 2.777 0.011 1 932 87 87 CYS CA C 57.567 0.051 1 933 87 87 CYS CB C 31.079 0.051 1 934 87 87 CYS N N 125.204 0.054 1 935 88 88 PHE H H 9.138 0.011 1 936 88 88 PHE HA H 5.496 0.011 1 937 88 88 PHE HB2 H 3.010 0.011 1 938 88 88 PHE HB3 H 2.709 0.011 1 939 88 88 PHE HD1 H 7.160 0.011 1 940 88 88 PHE HD2 H 7.160 0.011 1 941 88 88 PHE HE1 H 7.276 0.011 1 942 88 88 PHE HE2 H 7.276 0.011 1 943 88 88 PHE HZ H 7.362 0.011 1 944 88 88 PHE CA C 56.649 0.051 1 945 88 88 PHE CB C 43.932 0.051 1 946 88 88 PHE CD1 C 131.174 0.051 1 947 88 88 PHE CD2 C 131.174 0.051 1 948 88 88 PHE CE1 C 131.707 0.051 1 949 88 88 PHE CE2 C 131.707 0.051 1 950 88 88 PHE CZ C 129.916 0.051 1 951 88 88 PHE N N 120.953 0.054 1 952 89 89 VAL H H 9.488 0.011 1 953 89 89 VAL HA H 4.632 0.011 1 954 89 89 VAL HB H 1.843 0.011 1 955 89 89 VAL HG1 H 0.744 0.011 1 956 89 89 VAL HG2 H 0.793 0.011 1 957 89 89 VAL CA C 61.720 0.051 1 958 89 89 VAL CB C 33.185 0.051 1 959 89 89 VAL CG1 C 21.436 0.051 1 960 89 89 VAL N N 120.181 0.054 1 961 90 90 LYS H H 7.758 0.011 1 962 90 90 LYS HA H 4.782 0.011 1 963 90 90 LYS HB2 H 1.457 0.011 1 964 90 90 LYS HB3 H 1.281 0.011 1 965 90 90 LYS HG2 H 1.255 0.011 1 966 90 90 LYS HD2 H 1.463 0.011 1 967 90 90 LYS HD3 H 1.246 0.011 1 968 90 90 LYS HE2 H 2.462 0.011 1 969 90 90 LYS HE3 H 2.697 0.011 1 970 90 90 LYS CA C 51.113 0.051 1 971 90 90 LYS CB C 33.424 0.051 1 972 90 90 LYS CD C 28.510 0.051 1 973 90 90 LYS CE C 41.594 0.051 1 974 90 90 LYS N N 126.928 0.054 1 975 91 91 PRO HA H 4.337 0.011 1 976 91 91 PRO HB2 H 2.103 0.011 1 977 91 91 PRO HB3 H 1.912 0.011 1 978 91 91 PRO HG2 H 1.818 0.011 1 979 91 91 PRO HG3 H 2.037 0.011 1 980 91 91 PRO HD2 H 3.726 0.011 1 981 91 91 PRO HD3 H 3.492 0.011 1 982 91 91 PRO CA C 62.732 0.051 1 983 91 91 PRO CB C 32.553 0.051 1 984 91 91 PRO CG C 27.242 0.051 1 985 91 91 PRO CD C 50.569 0.051 1 986 92 92 THR H H 7.756 0.011 1 987 92 92 THR HA H 4.599 0.011 1 988 92 92 THR HB H 4.602 0.011 1 989 92 92 THR HG2 H 1.255 0.011 1 990 92 92 THR CA C 60.532 0.051 1 991 92 92 THR CB C 70.643 0.051 1 992 92 92 THR CG2 C 21.751 0.051 1 993 92 92 THR N N 112.227 0.054 1 994 93 93 SER H H 8.690 0.011 1 995 93 93 SER HA H 4.243 0.011 1 996 93 93 SER HB2 H 3.949 0.011 1 997 93 93 SER HB3 H 3.968 0.011 1 998 93 93 SER CA C 60.547 0.051 1 999 93 93 SER CB C 62.816 0.051 1 1000 93 93 SER N N 114.040 0.054 1 1001 94 94 SER H H 7.933 0.011 1 1002 94 94 SER HA H 4.570 0.011 1 1003 94 94 SER HB2 H 3.868 0.011 1 1004 94 94 SER HB3 H 3.970 0.011 1 1005 94 94 SER CA C 58.337 0.051 1 1006 94 94 SER CB C 63.533 0.051 1 1007 94 94 SER N N 114.472 0.054 1 1008 95 95 MET H H 7.706 0.011 1 1009 95 95 MET HA H 5.017 0.011 1 1010 95 95 MET HB2 H 1.898 0.011 1 1011 95 95 MET HB3 H 1.745 0.011 1 1012 95 95 MET HG2 H 2.490 0.011 1 1013 95 95 MET HG3 H 2.329 0.011 1 1014 95 95 MET HE H 2.047 0.011 1 1015 95 95 MET CA C 54.949 0.051 1 1016 95 95 MET CB C 36.387 0.051 1 1017 95 95 MET CG C 32.726 0.051 1 1018 95 95 MET CE C 17.948 0.051 1 1019 95 95 MET N N 121.633 0.054 1 1020 96 96 THR H H 8.372 0.011 1 1021 96 96 THR HA H 4.465 0.011 1 1022 96 96 THR HB H 3.611 0.011 1 1023 96 96 THR HG2 H 1.131 0.011 1 1024 96 96 THR CA C 60.421 0.051 1 1025 96 96 THR CB C 70.975 0.051 1 1026 96 96 THR CG2 C 21.728 0.051 1 1027 96 96 THR N N 115.083 0.054 1 1028 97 97 ILE H H 8.387 0.011 1 1029 97 97 ILE HA H 4.156 0.011 1 1030 97 97 ILE HB H 1.694 0.011 1 1031 97 97 ILE HG12 H 1.464 0.011 1 1032 97 97 ILE HG13 H 0.972 0.011 1 1033 97 97 ILE HG2 H 0.788 0.011 1 1034 97 97 ILE HD1 H 0.758 0.011 1 1035 97 97 ILE CA C 61.418 0.051 1 1036 97 97 ILE CB C 38.995 0.051 1 1037 97 97 ILE CG1 C 28.840 0.051 1 1038 97 97 ILE CG2 C 17.564 0.051 1 1039 97 97 ILE CD1 C 13.015 0.051 1 1040 97 97 ILE N N 123.635 0.054 1 1041 98 98 LYS H H 8.162 0.011 1 1042 98 98 LYS HA H 4.466 0.011 1 1043 98 98 LYS HB2 H 1.083 0.011 1 1044 98 98 LYS HB3 H 1.568 0.011 1 1045 98 98 LYS HG2 H 1.180 0.011 1 1046 98 98 LYS HG3 H 1.140 0.011 1 1047 98 98 LYS HD2 H 1.354 0.011 1 1048 98 98 LYS HD3 H 1.418 0.011 1 1049 98 98 LYS HE2 H 2.794 0.011 1 1050 98 98 LYS HE3 H 2.794 0.011 1 1051 98 98 LYS CA C 54.016 0.051 1 1052 98 98 LYS CB C 32.942 0.051 1 1053 98 98 LYS CG C 24.390 0.051 1 1054 98 98 LYS CD C 28.737 0.051 1 1055 98 98 LYS CE C 41.751 0.051 1 1056 98 98 LYS N N 130.590 0.054 1 1057 99 99 THR H H 7.996 0.011 1 1058 99 99 THR HA H 4.078 0.011 1 1059 99 99 THR HB H 4.330 0.011 1 1060 99 99 THR HG2 H 1.116 0.011 1 1061 99 99 THR CA C 61.867 0.051 1 1062 99 99 THR CB C 69.769 0.051 1 1063 99 99 THR CG2 C 21.751 0.051 1 1064 99 99 THR N N 116.880 0.054 1 1065 100 100 GLY H H 8.733 0.011 1 1066 100 100 GLY HA2 H 4.092 0.011 1 1067 100 100 GLY HA3 H 4.092 0.011 1 1068 100 100 GLY CA C 45.892 0.051 1 1069 100 100 GLY N N 109.341 0.054 1 1070 101 101 LYS H H 8.830 0.011 1 1071 101 101 LYS HA H 3.908 0.011 1 1072 101 101 LYS HB2 H 1.494 0.011 1 1073 101 101 LYS HB3 H 1.348 0.011 1 1074 101 101 LYS HG2 H 1.138 0.011 1 1075 101 101 LYS HG3 H 1.165 0.011 1 1076 101 101 LYS HD2 H 1.582 0.011 1 1077 101 101 LYS HD3 H 1.582 0.011 1 1078 101 101 LYS HE2 H 2.921 0.011 1 1079 101 101 LYS HE3 H 2.921 0.011 1 1080 101 101 LYS CA C 58.505 0.051 1 1081 101 101 LYS CB C 32.261 0.051 1 1082 101 101 LYS CG C 24.483 0.051 1 1083 101 101 LYS CD C 28.873 0.051 1 1084 101 101 LYS CE C 41.635 0.051 1 1085 101 101 LYS N N 121.706 0.054 1 1086 102 102 HIS H H 8.889 0.011 1 1087 102 102 HIS HA H 5.432 0.011 1 1088 102 102 HIS HB2 H 3.832 0.011 1 1089 102 102 HIS HB3 H 3.156 0.011 1 1090 102 102 HIS HD2 H 7.583 0.011 1 1091 102 102 HIS HE1 H 8.586 0.011 1 1092 102 102 HIS CA C 55.530 0.051 1 1093 102 102 HIS CB C 30.015 0.051 1 1094 102 102 HIS CD2 C 121.898 0.051 1 1095 102 102 HIS CE1 C 136.225 0.051 1 1096 102 102 HIS N N 112.644 0.054 1 1097 103 103 VAL H H 7.111 0.011 1 1098 103 103 VAL HA H 5.297 0.011 1 1099 103 103 VAL HB H 1.992 0.011 1 1100 103 103 VAL HG1 H 0.976 0.011 1 1101 103 103 VAL HG2 H 0.980 0.011 1 1102 103 103 VAL CA C 60.926 0.051 1 1103 103 103 VAL CB C 36.048 0.051 1 1104 103 103 VAL CG1 C 21.619 0.051 1 1105 103 103 VAL CG2 C 22.077 0.051 1 1106 103 103 VAL N N 118.465 0.054 1 1107 104 104 ASP H H 8.401 0.011 1 1108 104 104 ASP HA H 5.051 0.011 1 1109 104 104 ASP HB2 H 2.896 0.011 1 1110 104 104 ASP HB3 H 3.414 0.011 1 1111 104 104 ASP CA C 52.051 0.051 1 1112 104 104 ASP CB C 42.660 0.051 1 1113 104 104 ASP N N 125.687 0.054 1 1114 105 105 ALA H H 8.338 0.011 1 1115 105 105 ALA HA H 3.930 0.011 1 1116 105 105 ALA HB H 1.420 0.011 1 1117 105 105 ALA CA C 54.578 0.051 1 1118 105 105 ALA CB C 18.478 0.051 1 1119 105 105 ALA N N 118.042 0.054 1 1120 106 106 ASN H H 8.233 0.011 1 1121 106 106 ASN HA H 4.881 0.011 1 1122 106 106 ASN HB2 H 3.092 0.011 1 1123 106 106 ASN HB3 H 3.107 0.011 1 1124 106 106 ASN HD21 H 7.001 0.011 1 1125 106 106 ASN HD22 H 8.065 0.011 1 1126 106 106 ASN CA C 52.801 0.051 1 1127 106 106 ASN CB C 39.094 0.051 1 1128 106 106 ASN N N 114.026 0.054 1 1129 106 106 ASN ND2 N 114.265 0.054 1 1130 107 107 GLY H H 8.729 0.011 1 1131 107 107 GLY HA2 H 3.556 0.011 1 1132 107 107 GLY HA3 H 4.624 0.011 1 1133 107 107 GLY CA C 45.341 0.051 1 1134 107 107 GLY N N 109.822 0.054 1 1135 108 108 LYS H H 8.420 0.011 1 1136 108 108 LYS HA H 3.772 0.011 1 1137 108 108 LYS HB2 H 1.950 0.011 1 1138 108 108 LYS HG2 H 0.790 0.011 1 1139 108 108 LYS HG3 H 0.648 0.011 1 1140 108 108 LYS HD2 H 1.449 0.011 1 1141 108 108 LYS HD3 H 1.548 0.011 1 1142 108 108 LYS HE2 H 2.732 0.011 1 1143 108 108 LYS HE3 H 2.778 0.011 1 1144 108 108 LYS CA C 57.668 0.051 1 1145 108 108 LYS CG C 25.423 0.051 1 1146 108 108 LYS CD C 29.104 0.051 1 1147 108 108 LYS CE C 42.217 0.051 1 1148 108 108 LYS N N 124.336 0.054 1 1149 109 109 ILE H H 7.665 0.011 1 1150 109 109 ILE HA H 4.982 0.011 1 1151 109 109 ILE HB H 1.309 0.011 1 1152 109 109 ILE HG12 H 1.919 0.011 1 1153 109 109 ILE HG13 H 1.066 0.011 1 1154 109 109 ILE HG2 H 0.888 0.011 1 1155 109 109 ILE HD1 H 0.875 0.011 1 1156 109 109 ILE CA C 59.850 0.051 1 1157 109 109 ILE CB C 39.790 0.051 1 1158 109 109 ILE CG1 C 28.491 0.051 1 1159 109 109 ILE CG2 C 17.198 0.051 1 1160 109 109 ILE CD1 C 14.402 0.051 1 1161 109 109 ILE N N 125.473 0.054 1 1162 110 110 TYR H H 8.908 0.011 1 1163 110 110 TYR HA H 4.682 0.011 1 1164 110 110 TYR HB2 H 2.961 0.011 1 1165 110 110 TYR HB3 H 2.980 0.011 1 1166 110 110 TYR HD1 H 7.071 0.011 1 1167 110 110 TYR HD2 H 7.071 0.011 1 1168 110 110 TYR HE1 H 6.700 0.011 1 1169 110 110 TYR HE2 H 6.700 0.011 1 1170 110 110 TYR CA C 57.022 0.051 1 1171 110 110 TYR CB C 40.083 0.051 1 1172 110 110 TYR CD1 C 133.845 0.051 1 1173 110 110 TYR CD2 C 133.845 0.051 1 1174 110 110 TYR CE1 C 117.560 0.051 1 1175 110 110 TYR CE2 C 117.560 0.051 1 1176 110 110 TYR N N 127.920 0.054 1 1177 111 111 LEU H H 7.380 0.011 1 1178 111 111 LEU HA H 4.991 0.011 1 1179 111 111 LEU HB2 H 1.591 0.011 1 1180 111 111 LEU HB3 H 1.346 0.011 1 1181 111 111 LEU HG H 0.853 0.011 1 1182 111 111 LEU HD1 H 0.662 0.011 1 1183 111 111 LEU HD2 H 0.621 0.011 1 1184 111 111 LEU CA C 51.538 0.051 1 1185 111 111 LEU CB C 47.371 0.051 1 1186 111 111 LEU CD1 C 23.744 0.051 1 1187 111 111 LEU CD2 C 26.598 0.051 1 1188 111 111 LEU N N 120.480 0.054 1 1189 112 112 PRO HA H 4.399 0.011 1 1190 112 112 PRO HB2 H 2.467 0.011 1 1191 112 112 PRO HB3 H 2.160 0.011 1 1192 112 112 PRO HG2 H 2.149 0.011 1 1193 112 112 PRO HG3 H 2.297 0.011 1 1194 112 112 PRO HD2 H 3.801 0.011 1 1195 112 112 PRO HD3 H 3.996 0.011 1 1196 112 112 PRO CA C 65.895 0.051 1 1197 112 112 PRO CB C 31.120 0.051 1 1198 112 112 PRO CG C 27.867 0.051 1 1199 112 112 PRO CD C 50.643 0.051 1 1200 113 113 TYR H H 8.190 0.011 1 1201 113 113 TYR HA H 3.871 0.011 1 1202 113 113 TYR HB2 H 3.368 0.011 1 1203 113 113 TYR HB3 H 2.475 0.011 1 1204 113 113 TYR HD1 H 7.039 0.011 1 1205 113 113 TYR HD2 H 7.039 0.011 1 1206 113 113 TYR HE1 H 6.903 0.011 1 1207 113 113 TYR HE2 H 6.903 0.011 1 1208 113 113 TYR CA C 61.227 0.051 1 1209 113 113 TYR CB C 40.423 0.051 1 1210 113 113 TYR CD1 C 133.553 0.051 1 1211 113 113 TYR CD2 C 133.553 0.051 1 1212 113 113 TYR CE1 C 118.074 0.051 1 1213 113 113 TYR CE2 C 118.074 0.051 1 1214 113 113 TYR N N 115.006 0.054 1 1215 114 114 LEU H H 7.158 0.011 1 1216 114 114 LEU HA H 4.552 0.011 1 1217 114 114 LEU HB2 H 2.282 0.011 1 1218 114 114 LEU HB3 H 1.725 0.011 1 1219 114 114 LEU HG H 0.833 0.011 1 1220 114 114 LEU HD1 H 1.055 0.011 1 1221 114 114 LEU HD2 H 1.005 0.011 1 1222 114 114 LEU CA C 56.853 0.051 1 1223 114 114 LEU CB C 42.325 0.051 1 1224 114 114 LEU CD1 C 24.253 0.051 1 1225 114 114 LEU CD2 C 25.862 0.051 1 1226 114 114 LEU N N 112.254 0.054 1 1227 115 115 HIS H H 7.942 0.011 1 1228 115 115 HIS HA H 4.439 0.011 1 1229 115 115 HIS HB2 H 3.375 0.011 1 1230 115 115 HIS HB3 H 3.381 0.011 1 1231 115 115 HIS HD2 H 7.379 0.011 1 1232 115 115 HIS HE1 H 8.468 0.011 1 1233 115 115 HIS CA C 59.079 0.051 1 1234 115 115 HIS CB C 29.780 0.051 1 1235 115 115 HIS CD2 C 120.318 0.051 1 1236 115 115 HIS CE1 C 137.057 0.051 1 1237 115 115 HIS N N 120.253 0.054 1 1238 116 116 GLU H H 8.369 0.011 1 1239 116 116 GLU HA H 4.272 0.011 1 1240 116 116 GLU HB2 H 2.135 0.011 1 1241 116 116 GLU HB3 H 1.640 0.011 1 1242 116 116 GLU HG2 H 2.254 0.011 1 1243 116 116 GLU HG3 H 2.304 0.011 1 1244 116 116 GLU CA C 54.574 0.051 1 1245 116 116 GLU CB C 28.747 0.051 1 1246 116 116 GLU CG C 36.137 0.051 1 1247 116 116 GLU N N 115.782 0.054 1 1248 117 117 TRP H H 6.795 0.011 1 1249 117 117 TRP HA H 3.733 0.011 1 1250 117 117 TRP HB2 H 3.569 0.011 1 1251 117 117 TRP HB3 H 2.992 0.011 1 1252 117 117 TRP HD1 H 6.753 0.011 1 1253 117 117 TRP HE1 H 10.231 0.011 1 1254 117 117 TRP HE3 H 7.684 0.011 1 1255 117 117 TRP HZ2 H 7.550 0.011 1 1256 117 117 TRP HZ3 H 6.629 0.011 1 1257 117 117 TRP HH2 H 7.083 0.011 1 1258 117 117 TRP CA C 58.675 0.051 1 1259 117 117 TRP CB C 29.918 0.051 1 1260 117 117 TRP CD1 C 126.428 0.051 1 1261 117 117 TRP CE3 C 119.049 0.051 1 1262 117 117 TRP CZ2 C 116.452 0.051 1 1263 117 117 TRP CH2 C 123.713 0.051 1 1264 117 117 TRP N N 121.879 0.054 1 1265 117 117 TRP NE1 N 131.151 0.054 1 1266 118 118 LYS H H 8.127 0.011 1 1267 118 118 LYS HA H 4.444 0.011 1 1268 118 118 LYS HB2 H 1.597 0.011 1 1269 118 118 LYS HB3 H 1.614 0.011 1 1270 118 118 LYS HG2 H 1.294 0.011 1 1271 118 118 LYS HG3 H 1.329 0.011 1 1272 118 118 LYS HD2 H 1.601 0.011 1 1273 118 118 LYS HD3 H 1.606 0.011 1 1274 118 118 LYS HE2 H 2.915 0.011 1 1275 118 118 LYS HE3 H 2.915 0.011 1 1276 118 118 LYS CA C 55.486 0.051 1 1277 118 118 LYS CB C 34.550 0.051 1 1278 118 118 LYS CG C 23.971 0.051 1 1279 118 118 LYS CD C 29.027 0.051 1 1280 118 118 LYS CE C 41.697 0.051 1 1281 118 118 LYS N N 129.031 0.054 1 1282 119 119 HIS H H 9.199 0.011 1 1283 119 119 HIS HA H 4.391 0.011 1 1284 119 119 HIS HB2 H 2.690 0.011 1 1285 119 119 HIS HB3 H 2.478 0.011 1 1286 119 119 HIS HD2 H 6.725 0.011 1 1287 119 119 HIS HE1 H 8.383 0.011 1 1288 119 119 HIS CA C 54.298 0.051 1 1289 119 119 HIS CB C 28.856 0.051 1 1290 119 119 HIS CD2 C 122.172 0.051 1 1291 119 119 HIS CE1 C 138.098 0.051 1 1292 119 119 HIS N N 128.736 0.054 1 1293 120 120 PRO HA H 2.523 0.011 1 1294 120 120 PRO HB2 H 1.882 0.011 1 1295 120 120 PRO HB3 H 0.765 0.011 1 1296 120 120 PRO HG2 H 1.675 0.011 1 1297 120 120 PRO HG3 H 1.397 0.011 1 1298 120 120 PRO HD2 H 2.355 0.011 1 1299 120 120 PRO HD3 H 2.355 0.011 1 1300 120 120 PRO CA C 59.938 0.051 1 1301 120 120 PRO CB C 33.614 0.051 1 1302 120 120 PRO CG C 23.647 0.051 1 1303 120 120 PRO CD C 49.285 0.051 1 1304 121 121 GLN H H 7.922 0.011 1 1305 121 121 GLN HA H 3.779 0.011 1 1306 121 121 GLN HB2 H 2.011 0.011 1 1307 121 121 GLN HB3 H 1.863 0.011 1 1308 121 121 GLN HG2 H 2.371 0.011 1 1309 121 121 GLN HG3 H 2.164 0.011 1 1310 121 121 GLN HE21 H 6.642 0.011 1 1311 121 121 GLN HE22 H 7.356 0.011 1 1312 121 121 GLN CA C 59.945 0.051 1 1313 121 121 GLN CB C 27.719 0.051 1 1314 121 121 GLN CG C 34.453 0.051 1 1315 121 121 GLN N N 125.922 0.054 1 1316 121 121 GLN NE2 N 111.412 0.054 1 1317 122 122 SER H H 7.769 0.011 1 1318 122 122 SER HA H 4.290 0.011 1 1319 122 122 SER HB2 H 1.199 0.011 1 1320 122 122 SER HB3 H 1.908 0.011 1 1321 122 122 SER CA C 56.612 0.051 1 1322 122 122 SER CB C 60.644 0.051 1 1323 122 122 SER N N 116.695 0.054 1 1324 123 123 ASP H H 8.386 0.011 1 1325 123 123 ASP HA H 4.560 0.011 1 1326 123 123 ASP HB2 H 3.166 0.011 1 1327 123 123 ASP HB3 H 2.750 0.011 1 1328 123 123 ASP CA C 53.089 0.051 1 1329 123 123 ASP CB C 41.948 0.051 1 1330 123 123 ASP N N 120.742 0.054 1 1331 124 124 LEU H H 8.359 0.011 1 1332 124 124 LEU HA H 4.257 0.011 1 1333 124 124 LEU HB2 H 1.457 0.011 1 1334 124 124 LEU HB3 H 2.052 0.011 1 1335 124 124 LEU HG H 2.167 0.011 1 1336 124 124 LEU HD1 H 0.753 0.011 1 1337 124 124 LEU HD2 H 0.761 0.011 1 1338 124 124 LEU CA C 58.241 0.051 1 1339 124 124 LEU CB C 42.681 0.051 1 1340 124 124 LEU CG C 26.808 0.051 1 1341 124 124 LEU CD1 C 24.346 0.051 1 1342 124 124 LEU CD2 C 25.034 0.051 1 1343 124 124 LEU N N 119.347 0.054 1 1344 125 125 LEU H H 8.126 0.011 1 1345 125 125 LEU HA H 3.972 0.011 1 1346 125 125 LEU HB2 H 1.705 0.011 1 1347 125 125 LEU HB3 H 1.578 0.011 1 1348 125 125 LEU HG H 1.714 0.011 1 1349 125 125 LEU HD1 H 0.979 0.011 1 1350 125 125 LEU HD2 H 0.998 0.011 1 1351 125 125 LEU CA C 58.180 0.051 1 1352 125 125 LEU CB C 41.403 0.051 1 1353 125 125 LEU CG C 27.123 0.051 1 1354 125 125 LEU CD1 C 25.030 0.051 1 1355 125 125 LEU CD2 C 25.523 0.051 1 1356 125 125 LEU N N 118.684 0.054 1 1357 126 126 GLY H H 8.861 0.011 1 1358 126 126 GLY HA2 H 3.919 0.011 1 1359 126 126 GLY HA3 H 3.604 0.011 1 1360 126 126 GLY CA C 46.451 0.051 1 1361 126 126 GLY N N 109.849 0.054 1 1362 127 127 LEU H H 7.963 0.011 1 1363 127 127 LEU HA H 3.155 0.011 1 1364 127 127 LEU HB2 H 2.453 0.011 1 1365 127 127 LEU HB3 H 1.834 0.011 1 1366 127 127 LEU HG H 1.052 0.011 1 1367 127 127 LEU HD1 H 1.032 0.011 1 1368 127 127 LEU HD2 H 0.901 0.011 1 1369 127 127 LEU CA C 57.149 0.051 1 1370 127 127 LEU CB C 41.700 0.051 1 1371 127 127 LEU CG C 27.707 0.051 1 1372 127 127 LEU CD2 C 23.604 0.051 1 1373 127 127 LEU N N 123.060 0.054 1 1374 128 128 ILE H H 8.162 0.011 1 1375 128 128 ILE HA H 3.364 0.011 1 1376 128 128 ILE HB H 1.660 0.011 1 1377 128 128 ILE HG12 H 1.385 0.011 1 1378 128 128 ILE HG13 H 0.983 0.011 1 1379 128 128 ILE HG2 H 0.153 0.011 1 1380 128 128 ILE HD1 H 0.430 0.011 1 1381 128 128 ILE CA C 64.524 0.051 1 1382 128 128 ILE CB C 36.773 0.051 1 1383 128 128 ILE CG1 C 29.153 0.051 1 1384 128 128 ILE CG2 C 17.165 0.051 1 1385 128 128 ILE CD1 C 12.393 0.051 1 1386 128 128 ILE N N 119.617 0.054 1 1387 129 129 GLN H H 7.871 0.011 1 1388 129 129 GLN HA H 3.849 0.011 1 1389 129 129 GLN HB2 H 2.028 0.011 1 1390 129 129 GLN HB3 H 2.182 0.011 1 1391 129 129 GLN HG2 H 2.549 0.011 1 1392 129 129 GLN HG3 H 2.354 0.011 1 1393 129 129 GLN HE21 H 7.351 0.011 1 1394 129 129 GLN HE22 H 6.894 0.011 1 1395 129 129 GLN CA C 59.770 0.051 1 1396 129 129 GLN CB C 27.911 0.051 1 1397 129 129 GLN CG C 34.353 0.051 1 1398 129 129 GLN N N 117.153 0.054 1 1399 129 129 GLN NE2 N 111.705 0.054 1 1400 130 130 VAL H H 7.482 0.011 1 1401 130 130 VAL HA H 3.635 0.011 1 1402 130 130 VAL HB H 1.880 0.011 1 1403 130 130 VAL HG1 H 0.829 0.011 1 1404 130 130 VAL HG2 H 0.832 0.011 1 1405 130 130 VAL CA C 66.096 0.051 1 1406 130 130 VAL CB C 30.978 0.051 1 1407 130 130 VAL CG1 C 23.127 0.051 1 1408 130 130 VAL CG2 C 22.118 0.051 1 1409 130 130 VAL N N 119.150 0.054 1 1410 131 131 MET H H 8.110 0.011 1 1411 131 131 MET HA H 2.985 0.011 1 1412 131 131 MET HB2 H 2.011 0.011 1 1413 131 131 MET HB3 H 1.397 0.011 1 1414 131 131 MET HG2 H 2.311 0.011 1 1415 131 131 MET HG3 H 1.652 0.011 1 1416 131 131 MET HE H 1.811 0.011 1 1417 131 131 MET CA C 60.317 0.051 1 1418 131 131 MET CB C 32.635 0.051 1 1419 131 131 MET CG C 33.676 0.051 1 1420 131 131 MET CE C 17.395 0.051 1 1421 131 131 MET N N 120.415 0.054 1 1422 132 132 ILE H H 8.029 0.011 1 1423 132 132 ILE HA H 3.508 0.011 1 1424 132 132 ILE HB H 1.874 0.011 1 1425 132 132 ILE HG12 H 1.015 0.011 1 1426 132 132 ILE HG13 H 1.744 0.011 1 1427 132 132 ILE HG2 H 1.072 0.011 1 1428 132 132 ILE HD1 H 0.886 0.011 1 1429 132 132 ILE CA C 66.271 0.051 1 1430 132 132 ILE CB C 38.434 0.051 1 1431 132 132 ILE CG1 C 30.525 0.051 1 1432 132 132 ILE CG2 C 17.588 0.051 1 1433 132 132 ILE CD1 C 14.532 0.051 1 1434 132 132 ILE N N 118.082 0.054 1 1435 133 133 VAL H H 7.334 0.011 1 1436 133 133 VAL HA H 3.669 0.011 1 1437 133 133 VAL HB H 2.177 0.011 1 1438 133 133 VAL HG1 H 0.912 0.011 1 1439 133 133 VAL HG2 H 1.057 0.011 1 1440 133 133 VAL CA C 66.537 0.051 1 1441 133 133 VAL CB C 31.909 0.051 1 1442 133 133 VAL CG1 C 21.062 0.051 1 1443 133 133 VAL CG2 C 22.579 0.051 1 1444 133 133 VAL N N 120.302 0.054 1 1445 134 134 VAL H H 8.535 0.011 1 1446 134 134 VAL HA H 3.760 0.011 1 1447 134 134 VAL HB H 1.614 0.011 1 1448 134 134 VAL HG1 H 0.549 0.011 1 1449 134 134 VAL HG2 H 0.711 0.011 1 1450 134 134 VAL CA C 66.174 0.051 1 1451 134 134 VAL CB C 31.408 0.051 1 1452 134 134 VAL CG1 C 20.603 0.051 1 1453 134 134 VAL CG2 C 22.304 0.051 1 1454 134 134 VAL N N 120.210 0.054 1 1455 135 135 PHE H H 8.884 0.011 1 1456 135 135 PHE HA H 4.903 0.011 1 1457 135 135 PHE HB2 H 2.995 0.011 1 1458 135 135 PHE HB3 H 3.297 0.011 1 1459 135 135 PHE HD1 H 7.030 0.011 1 1460 135 135 PHE HD2 H 7.030 0.011 1 1461 135 135 PHE CA C 55.273 0.051 1 1462 135 135 PHE CB C 37.072 0.051 1 1463 135 135 PHE N N 119.360 0.054 1 1464 136 136 GLY H H 7.740 0.011 1 1465 136 136 GLY HA2 H 4.118 0.011 1 1466 136 136 GLY HA3 H 3.930 0.011 1 1467 136 136 GLY CA C 46.227 0.051 1 1468 136 136 GLY N N 106.522 0.054 1 1469 137 137 ASP H H 7.346 0.011 1 1470 137 137 ASP HA H 4.874 0.011 1 1471 137 137 ASP HB2 H 2.833 0.011 1 1472 137 137 ASP HB3 H 2.833 0.011 1 1473 137 137 ASP CA C 55.619 0.051 1 1474 137 137 ASP CB C 42.140 0.051 1 1475 137 137 ASP N N 119.068 0.054 1 1476 138 138 GLU H H 7.780 0.011 1 1477 138 138 GLU HA H 4.549 0.011 1 1478 138 138 GLU HB2 H 2.010 0.011 1 1479 138 138 GLU HG2 H 2.116 0.011 1 1480 138 138 GLU HG3 H 2.136 0.011 1 1481 138 138 GLU CA C 53.475 0.051 1 1482 138 138 GLU CB C 31.143 0.051 1 1483 138 138 GLU CG C 36.494 0.051 1 1484 138 138 GLU N N 118.450 0.054 1 1485 139 139 PRO HA H 4.667 0.011 1 1486 139 139 PRO HB2 H 1.577 0.011 1 1487 139 139 PRO HB3 H 1.799 0.011 1 1488 139 139 PRO HG2 H 1.211 0.011 1 1489 139 139 PRO HG3 H 1.357 0.011 1 1490 139 139 PRO HD2 H 3.140 0.011 1 1491 139 139 PRO HD3 H 3.297 0.011 1 1492 139 139 PRO CA C 61.275 0.051 1 1493 139 139 PRO CB C 31.052 0.051 1 1494 139 139 PRO CD C 49.980 0.051 1 1495 140 140 PRO HA H 4.359 0.011 1 1496 140 140 PRO HB2 H 2.095 0.011 1 1497 140 140 PRO HB3 H 2.279 0.011 1 1498 140 140 PRO HG2 H 1.890 0.011 1 1499 140 140 PRO HG3 H 1.852 0.011 1 1500 140 140 PRO HD2 H 3.585 0.011 1 1501 140 140 PRO HD3 H 3.434 0.011 1 1502 140 140 PRO CA C 64.893 0.051 1 1503 140 140 PRO CB C 34.191 0.051 1 1504 140 140 PRO CG C 24.921 0.051 1 1505 140 140 PRO CD C 49.905 0.051 1 1506 141 141 VAL H H 6.674 0.011 1 1507 141 141 VAL HA H 5.142 0.011 1 1508 141 141 VAL HB H 1.884 0.011 1 1509 141 141 VAL HG1 H 0.644 0.011 1 1510 141 141 VAL HG2 H 0.572 0.011 1 1511 141 141 VAL CA C 57.736 0.051 1 1512 141 141 VAL CB C 36.349 0.051 1 1513 141 141 VAL CG1 C 22.682 0.051 1 1514 141 141 VAL CG2 C 18.106 0.051 1 1515 141 141 VAL N N 109.486 0.054 1 1516 142 142 PHE H H 8.537 0.011 1 1517 142 142 PHE HA H 4.697 0.011 1 1518 142 142 PHE HB2 H 2.925 0.011 1 1519 142 142 PHE HB3 H 2.992 0.011 1 1520 142 142 PHE HD1 H 7.100 0.011 1 1521 142 142 PHE HD2 H 7.100 0.011 1 1522 142 142 PHE HE1 H 7.243 0.011 1 1523 142 142 PHE HE2 H 7.243 0.011 1 1524 142 142 PHE HZ H 7.260 0.011 1 1525 142 142 PHE CA C 56.574 0.051 1 1526 142 142 PHE CB C 41.037 0.051 1 1527 142 142 PHE CD1 C 132.232 0.051 1 1528 142 142 PHE CD2 C 132.232 0.051 1 1529 142 142 PHE CE1 C 131.202 0.051 1 1530 142 142 PHE CE2 C 131.202 0.051 1 1531 142 142 PHE CZ C 129.802 0.051 1 1532 142 142 PHE N N 119.008 0.054 1 1533 143 143 SER H H 8.387 0.011 1 1534 143 143 SER HA H 4.653 0.011 1 1535 143 143 SER HB2 H 3.684 0.011 1 1536 143 143 SER HB3 H 3.755 0.011 1 1537 143 143 SER CA C 57.921 0.051 1 1538 143 143 SER CB C 64.011 0.051 1 1539 143 143 SER N N 117.841 0.054 1 1540 144 144 ARG H H 8.306 0.011 1 1541 144 144 ARG HA H 4.495 0.011 1 1542 144 144 ARG HB2 H 1.833 0.011 1 1543 144 144 ARG HB3 H 1.653 0.011 1 1544 144 144 ARG HG2 H 1.623 0.011 1 1545 144 144 ARG HG3 H 1.643 0.011 1 1546 144 144 ARG HD2 H 3.162 0.011 1 1547 144 144 ARG HD3 H 3.162 0.011 1 1548 144 144 ARG CA C 54.131 0.051 1 1549 144 144 ARG CB C 30.150 0.051 1 1550 144 144 ARG CG C 26.927 0.051 1 1551 144 144 ARG CD C 43.408 0.051 1 1552 144 144 ARG N N 125.657 0.054 1 1553 145 145 PRO HG2 H 1.983 0.011 1 1554 145 145 PRO HG3 H 1.969 0.011 1 1555 145 145 PRO HD2 H 3.631 0.011 1 1556 145 145 PRO HD3 H 3.798 0.011 1 1557 145 145 PRO CG C 27.281 0.051 1 1558 145 145 PRO CD C 50.398 0.051 1 stop_ save_