data_18521 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; The NMR structure of the Vta1-Vps60 complex ; _BMRB_accession_number 18521 _BMRB_flat_file_name bmr18521.str _Entry_type original _Submission_date 2012-06-13 _Accession_date 2012-06-13 _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 Yang Zhongzheng . . 2 Vild Cody . . 3 Ju Jiaying . . 4 Zhang Xu . . 5 Liu Jianping . . 6 Shen Jie . . 7 Zhao Bin . . 8 Lan Wenxian . . 9 Gong Fuchun . . 10 Liu Maili . . 11 Cao Chunyang . . 12 Xu Zhaohui . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 2 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 1315 "13C chemical shifts" 926 "15N chemical shifts" 232 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2013-02-20 update BMRB 'update entry citation' 2012-11-05 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Structural basis of molecular recognition between ESCRT-III-like protein Vps60 and AAA-ATPase regulator Vta1 in the multivesicular body pathway.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 23105107 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Yang Zhongzheng . . 2 Vild Cody . . 3 Ju Jiaying . . 4 Zhang Xu . . 5 Liu Jianping . . 6 Shen Jie . . 7 Zhao Bin . . 8 Lan Wenxian . . 9 Gong Fuchun . . 10 Liu Maili . . 11 Cao Chunyang . . 12 Xu Zhaohui . . stop_ _Journal_abbreviation 'J. Biol. Chem.' _Journal_name_full 'The Journal of biological chemistry' _Journal_volume 287 _Journal_issue 52 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 43899 _Page_last 43908 _Year 2012 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Vta1-Vps60 complex' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label entity_1 $entity_1 entity_2 $entity_2 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity_1 _Molecular_mass 19062.176 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 167 _Mol_residue_sequence ; MASNAARVVATAKDFDKVGL GIIGYYLQLYAVELILSEED RSQEMTALATELLDTIEAFK KEIGGESEAEDSDKSLHVMN TLIHDQEKAKIYMLNFTMSL YNEKLKQLKDGPWDVMLKRS LWCCIDLFSCILHLWKENIS ETSTNSLQKRIKYCKIYLSK LAKGEIG ; loop_ _Residue_seq_code _Residue_label 1 MET 2 ALA 3 SER 4 ASN 5 ALA 6 ALA 7 ARG 8 VAL 9 VAL 10 ALA 11 THR 12 ALA 13 LYS 14 ASP 15 PHE 16 ASP 17 LYS 18 VAL 19 GLY 20 LEU 21 GLY 22 ILE 23 ILE 24 GLY 25 TYR 26 TYR 27 LEU 28 GLN 29 LEU 30 TYR 31 ALA 32 VAL 33 GLU 34 LEU 35 ILE 36 LEU 37 SER 38 GLU 39 GLU 40 ASP 41 ARG 42 SER 43 GLN 44 GLU 45 MET 46 THR 47 ALA 48 LEU 49 ALA 50 THR 51 GLU 52 LEU 53 LEU 54 ASP 55 THR 56 ILE 57 GLU 58 ALA 59 PHE 60 LYS 61 LYS 62 GLU 63 ILE 64 GLY 65 GLY 66 GLU 67 SER 68 GLU 69 ALA 70 GLU 71 ASP 72 SER 73 ASP 74 LYS 75 SER 76 LEU 77 HIS 78 VAL 79 MET 80 ASN 81 THR 82 LEU 83 ILE 84 HIS 85 ASP 86 GLN 87 GLU 88 LYS 89 ALA 90 LYS 91 ILE 92 TYR 93 MET 94 LEU 95 ASN 96 PHE 97 THR 98 MET 99 SER 100 LEU 101 TYR 102 ASN 103 GLU 104 LYS 105 LEU 106 LYS 107 GLN 108 LEU 109 LYS 110 ASP 111 GLY 112 PRO 113 TRP 114 ASP 115 VAL 116 MET 117 LEU 118 LYS 119 ARG 120 SER 121 LEU 122 TRP 123 CYS 124 CYS 125 ILE 126 ASP 127 LEU 128 PHE 129 SER 130 CYS 131 ILE 132 LEU 133 HIS 134 LEU 135 TRP 136 LYS 137 GLU 138 ASN 139 ILE 140 SER 141 GLU 142 THR 143 SER 144 THR 145 ASN 146 SER 147 LEU 148 GLN 149 LYS 150 ARG 151 ILE 152 LYS 153 TYR 154 CYS 155 LYS 156 ILE 157 TYR 158 LEU 159 SER 160 LYS 161 LEU 162 ALA 163 LYS 164 GLY 165 GLU 166 ILE 167 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-22 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 2LUH "Nmr Structure Of The Vta1-Vps60 Complex" 100.00 167 100.00 100.00 5.18e-117 PDB 2RKK "Crystal Structure Of S.Cerevisiae Vta1 N-Terminal Domain" 100.00 168 100.00 100.00 3.54e-117 DBJ GAA25057 "K7_Vta1p [Saccharomyces cerevisiae Kyokai no. 7]" 100.00 329 100.00 100.00 1.22e-117 EMBL CAY81418 "Vta1p [Saccharomyces cerevisiae EC1118]" 100.00 330 100.00 100.00 1.26e-117 GB AAA66933 "unknown protein [Saccharomyces cerevisiae]" 100.00 330 99.40 99.40 8.19e-117 GB AAB67473 "Ylr181cp [Saccharomyces cerevisiae]" 100.00 330 100.00 100.00 1.46e-117 GB AHY78560 "Vta1p [Saccharomyces cerevisiae YJM993]" 100.00 330 99.40 99.40 6.31e-117 GB AJP40335 "Vta1p [Saccharomyces cerevisiae YJM1078]" 100.00 330 99.40 99.40 7.59e-117 GB AJV46241 "Vta1p [Saccharomyces cerevisiae YJM1083]" 100.00 329 100.00 100.00 1.22e-117 REF NP_013282 "Vta1p [Saccharomyces cerevisiae S288c]" 100.00 330 100.00 100.00 1.46e-117 SP Q06263 "RecName: Full=Vacuolar protein sorting-associated protein VTA1; AltName: Full=VPS20-associated protein 1" 100.00 330 100.00 100.00 1.46e-117 TPG DAA09501 "TPA: Vta1p [Saccharomyces cerevisiae S288c]" 100.00 330 100.00 100.00 1.46e-117 stop_ save_ save_entity_2 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity_2 _Molecular_mass 6609.143 _Mol_thiol_state 'not present' _Details . _Residue_count 59 _Mol_residue_sequence ; INIDKLQDMQDEMLDLIEQG DELQEVLAMNNNSGELDDIS DAELDAELDALAQEDFTLP ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 128 ILE 2 129 ASN 3 130 ILE 4 131 ASP 5 132 LYS 6 133 LEU 7 134 GLN 8 135 ASP 9 136 MET 10 137 GLN 11 138 ASP 12 139 GLU 13 140 MET 14 141 LEU 15 142 ASP 16 143 LEU 17 144 ILE 18 145 GLU 19 146 GLN 20 147 GLY 21 148 ASP 22 149 GLU 23 150 LEU 24 151 GLN 25 152 GLU 26 153 VAL 27 154 LEU 28 155 ALA 29 156 MET 30 157 ASN 31 158 ASN 32 159 ASN 33 160 SER 34 161 GLY 35 162 GLU 36 163 LEU 37 164 ASP 38 165 ASP 39 166 ILE 40 167 SER 41 168 ASP 42 169 ALA 43 170 GLU 44 171 LEU 45 172 ASP 46 173 ALA 47 174 GLU 48 175 LEU 49 176 ASP 50 177 ALA 51 178 LEU 52 179 ALA 53 180 GLN 54 181 GLU 55 182 ASP 56 183 PHE 57 184 THR 58 185 LEU 59 186 PRO stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2014-05-25 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 2LUH "Nmr Structure Of The Vta1-Vps60 Complex" 100.00 59 100.00 100.00 1.47e-29 DBJ GAA22697 "K7_Vps60p [Saccharomyces cerevisiae Kyokai no. 7]" 100.00 229 100.00 100.00 3.78e-29 EMBL CAY78983 "Vps60p [Saccharomyces cerevisiae EC1118]" 100.00 229 100.00 100.00 3.78e-29 GB AAB64922 "Ydr486cp [Saccharomyces cerevisiae]" 100.00 262 100.00 100.00 6.01e-29 GB AAS56499 "YDR486C [Saccharomyces cerevisiae]" 100.00 262 100.00 100.00 6.01e-29 GB AHY75433 "Vps60p [Saccharomyces cerevisiae YJM993]" 100.00 229 100.00 100.00 3.78e-29 GB EDN60805 "vacuolar sorting protein [Saccharomyces cerevisiae YJM789]" 100.00 229 100.00 100.00 3.78e-29 GB EDV07859 "vacuolar protein sorting-associated protein VPS60 [Saccharomyces cerevisiae RM11-1a]" 100.00 229 100.00 100.00 3.78e-29 REF NP_010774 "Vps60p [Saccharomyces cerevisiae S288c]" 100.00 229 100.00 100.00 3.78e-29 SP Q03390 "RecName: Full=Vacuolar protein-sorting-associated protein 60; AltName: Full=Charged multivesicular body protein 5 [Saccharomyce" 100.00 229 100.00 100.00 3.78e-29 TPG DAA12319 "TPA: Vps60p [Saccharomyces cerevisiae S288c]" 100.00 229 100.00 100.00 3.78e-29 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity_1 'baker's yeast' 4932 Eukaryota Fungi Saccharomyces cerevisiae $entity_2 'baker's yeast' 4932 Eukaryota Fungi Saccharomyces cerevisiae 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 _Details $entity_1 'recombinant technology' . Escherichia coli . pET28b 'Expressed with a 6His-SUMO tag' $entity_2 'recombinant technology' . Escherichia coli . pET28b 'Expresse with a 6His-SUMO tag' stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '15N,13C labled Vta1NTD with unlabled Vps60 peptide' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1.0-1.2 mM '[U-13C; U-15N]' $entity_2 1.0-1.2 mM 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details '15N,13C labled Vta1NTD with unlabled Vps60 peptide' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1.0-1.2 mM '[U-13C; U-15N]' $entity_2 1.0-1.2 mM 'natural abundance' stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details '15N,13C labled Vps60 peptide with unlabled Vta1NTD' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1.0-1.2 mM 'natural abundance' $entity_2 1.0-1.2 mM '[U-13C; U-15N]' stop_ save_ save_sample_4 _Saveframe_category sample _Sample_type solution _Details '15N,13C labled Vps60 peptide with unlabled Vta1NTD' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1.0-1.2 mM 'natural abundance' $entity_2 1.0-1.2 mM '[U-13C; U-15N]' stop_ save_ ############################ # Computer software used # ############################ save_X-PLOR_NIH _Saveframe_category software _Name 'X-PLOR NIH' _Version NIH loop_ _Vendor _Address _Electronic_address 'Schwieters, Kuszewski, Tjandra and Clore' . . stop_ loop_ _Task refinement 'structure solution' stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' 'peak picking' stop_ _Details . save_ save_TALOS _Saveframe_category software _Name TALOS _Version . loop_ _Vendor _Address _Electronic_address 'Cornilescu, Delaglio and Bax' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_VNMRJ _Saveframe_category software _Name VNMRJ _Version . loop_ _Vendor _Address _Electronic_address Varian . . stop_ loop_ _Task collection stop_ _Details . save_ save_ProcheckNMR _Saveframe_category software _Name ProcheckNMR _Version . loop_ _Vendor _Address _Electronic_address 'Laskowski and MacArthur' . . stop_ loop_ _Task 'structure analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_Varian_Unity_INOVA_600 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ save_Bruker_Avance_III-800 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_3 save_ save_2D_1H-13C_HSQC_aliphatic_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic' _Sample_label $sample_2 save_ save_2D_1H-13C_HSQC_aliphatic_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic' _Sample_label $sample_4 save_ save_2D_1H-13C_HSQC_aromatic_5 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aromatic' _Sample_label $sample_2 save_ save_2D_1H-13C_HSQC_aromatic_6 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aromatic' _Sample_label $sample_4 save_ save_3D_CBCA(CO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_3 save_ save_3D_HNCO_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCO_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_3 save_ save_3D_HNCA_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCA_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_3 save_ save_3D_HNCACB_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HNCACB_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_3 save_ save_3D_HN(CO)CA_15 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_16 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_3 save_ save_3D_HCCH-TOCSY_17 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_2 save_ save_3D_HCCH-TOCSY_18 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_4 save_ save_3D_1H-15N_NOESY_19 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_20 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_3 save_ save_3D_1H-13C_NOESY_aliphatic_21 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_2 save_ save_3D_1H-13C_NOESY_aliphatic_22 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_4 save_ save_3D_1H-13C_NOESY_aromatic_23 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _Sample_label $sample_2 save_ save_3D_1H-13C_NOESY_aromatic_24 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _Sample_label $sample_4 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' 0.15 . M pH 7.0 . pH pressure 1 . atm temperature 293.15 . 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_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC aliphatic' '2D 1H-13C HSQC aromatic' '3D CBCA(CO)NH' '3D HNCO' '3D HNCA' '3D HNCACB' '3D HN(CO)CA' '3D HCCH-TOCSY' '3D 1H-15N NOESY' '3D 1H-13C NOESY aliphatic' '3D 1H-13C NOESY aromatic' stop_ loop_ _Sample_label $sample_1 $sample_3 $sample_2 $sample_4 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_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 MET C C 177.555 0.000 1 2 1 1 MET CA C 58.555 0.050 1 3 1 1 MET CB C 31.481 0.063 1 4 2 2 ALA H H 8.545 0.008 1 5 2 2 ALA HA H 4.045 0.010 1 6 2 2 ALA HB H 1.331 0.005 1 7 2 2 ALA C C 179.992 0.000 1 8 2 2 ALA CA C 55.140 0.048 1 9 2 2 ALA CB C 18.482 0.080 1 10 2 2 ALA N N 122.445 0.032 1 11 3 3 SER H H 8.009 0.009 1 12 3 3 SER HA H 4.030 0.017 1 13 3 3 SER HB2 H 3.721 0.035 2 14 3 3 SER HB3 H 3.721 0.035 2 15 3 3 SER C C 176.584 0.000 1 16 3 3 SER CA C 60.748 0.075 1 17 3 3 SER CB C 62.416 0.067 1 18 3 3 SER N N 115.544 0.055 1 19 4 4 ASN H H 7.965 0.009 1 20 4 4 ASN HA H 4.318 0.020 1 21 4 4 ASN HB2 H 2.696 0.027 2 22 4 4 ASN HB3 H 2.812 0.030 2 23 4 4 ASN HD21 H 7.220 0.013 2 24 4 4 ASN HD22 H 7.131 0.003 2 25 4 4 ASN C C 176.215 0.000 1 26 4 4 ASN CA C 55.580 0.083 1 27 4 4 ASN CB C 38.154 0.056 1 28 4 4 ASN N N 123.103 0.046 1 29 4 4 ASN ND2 N 114.184 0.046 1 30 5 5 ALA H H 8.721 0.010 1 31 5 5 ALA HA H 3.560 0.009 1 32 5 5 ALA HB H 1.177 0.005 1 33 5 5 ALA C C 178.543 0.000 1 34 5 5 ALA CA C 55.774 0.046 1 35 5 5 ALA CB C 17.638 0.062 1 36 5 5 ALA N N 122.314 0.045 1 37 6 6 ALA H H 7.891 0.009 1 38 6 6 ALA HA H 3.784 0.015 1 39 6 6 ALA HB H 1.311 0.011 1 40 6 6 ALA C C 180.378 0.000 1 41 6 6 ALA CA C 55.240 0.069 1 42 6 6 ALA CB C 17.890 0.079 1 43 6 6 ALA N N 117.886 0.046 1 44 7 7 ARG H H 7.503 0.010 1 45 7 7 ARG HA H 3.770 0.011 1 46 7 7 ARG HB2 H 1.856 0.030 2 47 7 7 ARG HB3 H 1.856 0.030 2 48 7 7 ARG HG2 H 1.538 0.014 2 49 7 7 ARG HG3 H 1.538 0.014 2 50 7 7 ARG HD2 H 3.157 0.084 2 51 7 7 ARG HD3 H 3.157 0.084 2 52 7 7 ARG C C 179.531 0.000 1 53 7 7 ARG CA C 59.249 0.086 1 54 7 7 ARG CB C 29.546 0.287 1 55 7 7 ARG CD C 43.530 0.000 1 56 7 7 ARG N N 120.992 0.044 1 57 8 8 VAL H H 8.176 0.024 1 58 8 8 VAL HA H 3.285 0.008 1 59 8 8 VAL HB H 1.997 0.013 1 60 8 8 VAL HG1 H 0.930 0.011 2 61 8 8 VAL HG2 H 0.879 0.015 2 62 8 8 VAL C C 177.740 0.000 1 63 8 8 VAL CA C 67.839 0.132 1 64 8 8 VAL CB C 31.516 0.044 1 65 8 8 VAL CG1 C 23.668 0.061 2 66 8 8 VAL CG2 C 25.272 0.080 2 67 8 8 VAL N N 123.707 0.236 1 68 9 9 VAL H H 8.329 0.015 1 69 9 9 VAL HA H 3.286 0.010 1 70 9 9 VAL HB H 2.006 0.013 1 71 9 9 VAL HG1 H 0.873 0.008 2 72 9 9 VAL HG2 H 0.946 0.020 2 73 9 9 VAL C C 177.535 0.000 1 74 9 9 VAL CA C 67.549 0.052 1 75 9 9 VAL CB C 31.683 0.081 1 76 9 9 VAL CG1 C 21.600 0.052 2 77 9 9 VAL CG2 C 25.017 0.068 2 78 9 9 VAL N N 119.893 0.106 1 79 10 10 ALA H H 7.802 0.010 1 80 10 10 ALA HA H 3.971 0.013 1 81 10 10 ALA HB H 1.410 0.009 1 82 10 10 ALA C C 177.093 0.000 1 83 10 10 ALA CA C 55.448 0.141 1 84 10 10 ALA CB C 17.791 0.095 1 85 10 10 ALA N N 122.541 0.032 1 86 11 11 THR H H 8.187 0.015 1 87 11 11 THR HA H 3.821 0.016 1 88 11 11 THR HB H 4.474 0.017 1 89 11 11 THR HG2 H 1.429 0.014 1 90 11 11 THR C C 175.702 0.000 1 91 11 11 THR CA C 66.531 0.078 1 92 11 11 THR CB C 68.493 0.232 1 93 11 11 THR CG2 C 22.701 0.084 1 94 11 11 THR N N 116.946 0.070 1 95 12 12 ALA H H 8.641 0.009 1 96 12 12 ALA HA H 4.003 0.012 1 97 12 12 ALA HB H 1.659 0.036 1 98 12 12 ALA C C 179.401 0.000 1 99 12 12 ALA CA C 56.083 0.076 1 100 12 12 ALA CB C 18.855 0.038 1 101 12 12 ALA N N 125.357 0.036 1 102 13 13 LYS H H 7.961 0.015 1 103 13 13 LYS HA H 3.964 0.019 1 104 13 13 LYS HB2 H 1.829 0.020 2 105 13 13 LYS HB3 H 1.829 0.020 2 106 13 13 LYS HG2 H 1.554 0.031 2 107 13 13 LYS HG3 H 1.554 0.031 2 108 13 13 LYS HD2 H 1.426 0.002 2 109 13 13 LYS HD3 H 1.426 0.002 2 110 13 13 LYS HE2 H 2.767 0.012 2 111 13 13 LYS HE3 H 2.767 0.012 2 112 13 13 LYS C C 180.132 0.000 1 113 13 13 LYS CA C 58.991 0.051 1 114 13 13 LYS CB C 32.014 0.262 1 115 13 13 LYS CG C 24.354 0.000 1 116 13 13 LYS CD C 29.287 0.032 1 117 13 13 LYS CE C 41.684 0.000 1 118 13 13 LYS N N 117.246 0.047 1 119 14 14 ASP H H 7.702 0.012 1 120 14 14 ASP HA H 4.355 0.009 1 121 14 14 ASP HB2 H 2.370 0.013 2 122 14 14 ASP HB3 H 2.733 0.012 2 123 14 14 ASP C C 179.394 0.000 1 124 14 14 ASP CA C 57.524 0.089 1 125 14 14 ASP CB C 39.984 0.104 1 126 14 14 ASP N N 122.162 0.082 1 127 15 15 PHE H H 7.970 0.006 1 128 15 15 PHE HA H 4.307 0.019 1 129 15 15 PHE HB2 H 2.763 0.019 2 130 15 15 PHE HB3 H 3.192 0.024 2 131 15 15 PHE HD1 H 7.169 0.022 3 132 15 15 PHE HD2 H 7.169 0.022 3 133 15 15 PHE HE1 H 7.187 0.030 3 134 15 15 PHE HE2 H 7.187 0.030 3 135 15 15 PHE HZ H 7.234 0.023 1 136 15 15 PHE C C 178.383 0.000 1 137 15 15 PHE CA C 62.313 0.108 1 138 15 15 PHE CB C 37.340 0.176 1 139 15 15 PHE CD1 C 131.428 0.146 3 140 15 15 PHE CD2 C 131.428 0.146 3 141 15 15 PHE CE1 C 131.108 0.008 3 142 15 15 PHE CE2 C 131.108 0.008 3 143 15 15 PHE CZ C 131.509 0.056 1 144 15 15 PHE N N 119.552 0.041 1 145 16 16 ASP H H 8.259 0.013 1 146 16 16 ASP HA H 4.016 0.011 1 147 16 16 ASP HB2 H 2.656 0.012 2 148 16 16 ASP HB3 H 2.772 0.006 2 149 16 16 ASP C C 179.923 0.000 1 150 16 16 ASP CA C 58.030 0.075 1 151 16 16 ASP CB C 41.407 0.053 1 152 16 16 ASP N N 121.464 0.051 1 153 17 17 LYS H H 7.842 0.007 1 154 17 17 LYS HA H 4.047 0.014 1 155 17 17 LYS HB2 H 1.967 0.010 2 156 17 17 LYS HB3 H 1.967 0.010 2 157 17 17 LYS HG2 H 1.479 0.004 2 158 17 17 LYS HG3 H 1.569 0.006 2 159 17 17 LYS HD2 H 1.655 0.004 2 160 17 17 LYS HD3 H 1.655 0.004 2 161 17 17 LYS HE2 H 2.856 0.000 2 162 17 17 LYS HE3 H 2.856 0.000 2 163 17 17 LYS C C 178.432 0.000 1 164 17 17 LYS CA C 59.018 0.063 1 165 17 17 LYS CB C 32.592 0.043 1 166 17 17 LYS CG C 25.090 0.044 1 167 17 17 LYS CD C 29.310 0.063 1 168 17 17 LYS CE C 42.154 0.097 1 169 17 17 LYS N N 118.806 0.044 1 170 18 18 VAL H H 7.198 0.007 1 171 18 18 VAL HA H 4.523 0.008 1 172 18 18 VAL HB H 2.521 0.010 1 173 18 18 VAL HG1 H 1.076 0.010 2 174 18 18 VAL HG2 H 0.923 0.007 2 175 18 18 VAL C C 176.089 0.000 1 176 18 18 VAL CA C 60.797 0.064 1 177 18 18 VAL CB C 31.194 0.056 1 178 18 18 VAL CG1 C 19.335 0.068 2 179 18 18 VAL CG2 C 21.074 0.032 2 180 18 18 VAL N N 110.416 0.036 1 181 19 19 GLY H H 7.731 0.013 1 182 19 19 GLY HA2 H 3.853 0.034 2 183 19 19 GLY HA3 H 4.007 0.028 2 184 19 19 GLY C C 175.070 0.000 1 185 19 19 GLY CA C 45.842 0.036 1 186 19 19 GLY N N 109.008 0.066 1 187 20 20 LEU H H 8.102 0.005 1 188 20 20 LEU HA H 4.938 0.013 1 189 20 20 LEU HB2 H 1.462 0.023 2 190 20 20 LEU HB3 H 1.725 0.032 2 191 20 20 LEU HG H 1.684 0.005 1 192 20 20 LEU HD1 H 0.861 0.009 2 193 20 20 LEU HD2 H 0.984 0.019 2 194 20 20 LEU C C 177.890 0.000 1 195 20 20 LEU CA C 52.674 0.088 1 196 20 20 LEU CB C 40.239 0.106 1 197 20 20 LEU CD1 C 23.100 0.028 2 198 20 20 LEU CD2 C 26.617 0.073 2 199 20 20 LEU N N 125.244 0.088 1 200 21 21 GLY H H 8.046 0.013 1 201 21 21 GLY HA2 H 3.809 0.011 2 202 21 21 GLY HA3 H 3.887 0.014 2 203 21 21 GLY C C 176.174 0.000 1 204 21 21 GLY CA C 47.352 0.078 1 205 21 21 GLY N N 108.031 0.069 1 206 22 22 ILE H H 8.395 0.017 1 207 22 22 ILE HA H 3.944 0.015 1 208 22 22 ILE HB H 2.109 0.011 1 209 22 22 ILE HG12 H 1.376 0.009 2 210 22 22 ILE HG13 H 1.460 0.008 2 211 22 22 ILE HG2 H 0.927 0.014 1 212 22 22 ILE HD1 H 0.692 0.005 1 213 22 22 ILE C C 176.119 0.000 1 214 22 22 ILE CA C 61.179 0.092 1 215 22 22 ILE CB C 35.934 0.156 1 216 22 22 ILE CG1 C 27.607 0.066 1 217 22 22 ILE CG2 C 18.750 0.031 1 218 22 22 ILE CD1 C 11.340 0.055 1 219 22 22 ILE N N 121.173 0.134 1 220 23 23 ILE H H 6.824 0.012 1 221 23 23 ILE HA H 3.713 0.008 1 222 23 23 ILE HB H 1.374 0.007 1 223 23 23 ILE HG12 H 0.745 0.039 2 224 23 23 ILE HG13 H 0.852 0.011 2 225 23 23 ILE HG2 H -0.189 0.018 1 226 23 23 ILE HD1 H -0.224 0.018 1 227 23 23 ILE C C 178.458 0.000 1 228 23 23 ILE CA C 64.266 0.071 1 229 23 23 ILE CB C 36.272 0.107 1 230 23 23 ILE CG1 C 28.467 0.028 1 231 23 23 ILE CG2 C 17.337 0.070 1 232 23 23 ILE CD1 C 11.302 0.017 1 233 23 23 ILE N N 120.647 0.078 1 234 24 24 GLY H H 7.412 0.022 1 235 24 24 GLY HA2 H 3.618 0.016 2 236 24 24 GLY HA3 H 3.921 0.017 2 237 24 24 GLY C C 174.914 0.000 1 238 24 24 GLY CA C 47.998 0.098 1 239 24 24 GLY N N 103.326 0.039 1 240 25 25 TYR H H 7.861 0.015 1 241 25 25 TYR HA H 3.734 0.018 1 242 25 25 TYR HB2 H 2.717 0.017 2 243 25 25 TYR HB3 H 2.717 0.017 2 244 25 25 TYR HD1 H 6.081 0.069 3 245 25 25 TYR HD2 H 6.081 0.069 3 246 25 25 TYR HE1 H 6.446 0.026 3 247 25 25 TYR HE2 H 6.446 0.026 3 248 25 25 TYR C C 176.055 0.000 1 249 25 25 TYR CA C 60.962 0.069 1 250 25 25 TYR CB C 37.888 0.115 1 251 25 25 TYR CD1 C 133.069 0.054 3 252 25 25 TYR CD2 C 133.069 0.054 3 253 25 25 TYR CE1 C 117.622 0.045 3 254 25 25 TYR CE2 C 117.622 0.045 3 255 25 25 TYR N N 124.188 0.060 1 256 26 26 TYR H H 7.594 0.018 1 257 26 26 TYR HA H 3.881 0.011 1 258 26 26 TYR HB2 H 2.815 0.022 2 259 26 26 TYR HB3 H 2.815 0.022 2 260 26 26 TYR HD1 H 7.250 0.028 3 261 26 26 TYR HD2 H 7.250 0.028 3 262 26 26 TYR HE1 H 6.839 0.030 3 263 26 26 TYR HE2 H 6.839 0.030 3 264 26 26 TYR C C 178.653 0.000 1 265 26 26 TYR CA C 64.270 0.095 1 266 26 26 TYR CB C 37.453 0.065 1 267 26 26 TYR CD1 C 133.879 0.031 3 268 26 26 TYR CD2 C 133.879 0.031 3 269 26 26 TYR CE1 C 117.835 0.055 3 270 26 26 TYR CE2 C 117.835 0.055 3 271 26 26 TYR N N 117.390 0.049 1 272 27 27 LEU H H 8.226 0.009 1 273 27 27 LEU HA H 4.277 0.015 1 274 27 27 LEU HB2 H 1.745 0.035 2 275 27 27 LEU HB3 H 1.745 0.035 2 276 27 27 LEU HG H 0.889 0.004 1 277 27 27 LEU HD1 H 0.908 0.051 2 278 27 27 LEU HD2 H 0.791 0.005 2 279 27 27 LEU C C 179.025 0.000 1 280 27 27 LEU CA C 58.382 0.095 1 281 27 27 LEU CB C 42.595 0.496 1 282 27 27 LEU CG C 27.317 0.089 1 283 27 27 LEU CD1 C 22.803 0.062 2 284 27 27 LEU CD2 C 25.275 0.050 2 285 27 27 LEU N N 118.536 0.040 1 286 28 28 GLN H H 8.007 0.017 1 287 28 28 GLN HA H 3.665 0.020 1 288 28 28 GLN HB2 H 1.675 0.016 2 289 28 28 GLN HB3 H 1.675 0.016 2 290 28 28 GLN HG2 H 2.565 0.015 2 291 28 28 GLN HG3 H 2.565 0.015 2 292 28 28 GLN C C 177.406 0.000 1 293 28 28 GLN CA C 60.626 0.078 1 294 28 28 GLN CB C 28.959 0.102 1 295 28 28 GLN CG C 36.794 0.033 1 296 28 28 GLN N N 119.110 0.064 1 297 29 29 LEU H H 7.938 0.015 1 298 29 29 LEU HA H 3.718 0.026 1 299 29 29 LEU HB2 H 1.990 0.024 2 300 29 29 LEU HB3 H 1.990 0.024 2 301 29 29 LEU HG H 1.136 0.023 1 302 29 29 LEU HD1 H 0.468 0.007 2 303 29 29 LEU HD2 H 0.691 0.008 2 304 29 29 LEU C C 179.706 0.000 1 305 29 29 LEU CA C 58.382 0.081 1 306 29 29 LEU CB C 42.114 0.123 1 307 29 29 LEU CG C 26.881 0.060 1 308 29 29 LEU CD1 C 25.052 0.035 2 309 29 29 LEU CD2 C 24.458 0.063 2 310 29 29 LEU N N 121.623 0.050 1 311 30 30 TYR H H 7.974 0.012 1 312 30 30 TYR HA H 4.132 0.017 1 313 30 30 TYR HB2 H 3.252 0.034 2 314 30 30 TYR HB3 H 3.252 0.034 2 315 30 30 TYR HD1 H 6.695 0.024 3 316 30 30 TYR HD2 H 6.695 0.024 3 317 30 30 TYR HE1 H 6.387 0.040 3 318 30 30 TYR HE2 H 6.387 0.040 3 319 30 30 TYR C C 175.611 0.000 1 320 30 30 TYR CA C 58.951 0.112 1 321 30 30 TYR CB C 39.302 0.111 1 322 30 30 TYR CD1 C 132.246 0.000 3 323 30 30 TYR CD2 C 132.246 0.000 3 324 30 30 TYR CE1 C 117.666 0.044 3 325 30 30 TYR CE2 C 117.666 0.044 3 326 30 30 TYR N N 120.084 0.047 1 327 31 31 ALA H H 8.504 0.007 1 328 31 31 ALA HA H 3.343 0.011 1 329 31 31 ALA HB H 1.222 0.009 1 330 31 31 ALA C C 178.911 0.000 1 331 31 31 ALA CA C 55.429 0.044 1 332 31 31 ALA CB C 17.895 0.051 1 333 31 31 ALA N N 121.802 0.042 1 334 32 32 VAL H H 8.027 0.006 1 335 32 32 VAL HA H 3.249 0.014 1 336 32 32 VAL HB H 2.090 0.014 1 337 32 32 VAL HG1 H 0.841 0.008 2 338 32 32 VAL HG2 H 0.971 0.009 2 339 32 32 VAL C C 176.963 0.000 1 340 32 32 VAL CA C 67.723 0.043 1 341 32 32 VAL CB C 31.403 0.091 1 342 32 32 VAL CG1 C 21.649 0.021 2 343 32 32 VAL CG2 C 25.416 0.024 2 344 32 32 VAL N N 116.528 0.024 1 345 33 33 GLU H H 7.299 0.008 1 346 33 33 GLU HA H 3.804 0.015 1 347 33 33 GLU HB2 H 2.051 0.029 2 348 33 33 GLU HB3 H 2.051 0.029 2 349 33 33 GLU HG2 H 2.370 0.013 2 350 33 33 GLU HG3 H 2.370 0.013 2 351 33 33 GLU C C 180.234 0.000 1 352 33 33 GLU CA C 59.446 0.039 1 353 33 33 GLU CB C 28.711 0.065 1 354 33 33 GLU CG C 36.260 0.000 1 355 33 33 GLU N N 118.609 0.033 1 356 34 34 LEU H H 8.168 0.006 1 357 34 34 LEU HA H 3.702 0.018 1 358 34 34 LEU HB2 H 0.966 0.007 2 359 34 34 LEU HB3 H 1.113 0.013 2 360 34 34 LEU HG H 1.590 0.022 1 361 34 34 LEU HD1 H 0.472 0.009 2 362 34 34 LEU HD2 H 0.204 0.008 2 363 34 34 LEU C C 180.024 0.000 1 364 34 34 LEU CA C 57.815 0.064 1 365 34 34 LEU CB C 42.097 0.054 1 366 34 34 LEU CG C 26.711 0.091 1 367 34 34 LEU CD1 C 22.181 0.055 2 368 34 34 LEU CD2 C 24.285 0.032 2 369 34 34 LEU N N 120.831 0.034 1 370 35 35 ILE H H 8.064 0.010 1 371 35 35 ILE HA H 3.589 0.010 1 372 35 35 ILE HB H 1.652 0.013 1 373 35 35 ILE HG12 H 0.754 0.014 2 374 35 35 ILE HG13 H 0.754 0.014 2 375 35 35 ILE HG2 H 0.721 0.011 1 376 35 35 ILE HD1 H 0.601 0.004 1 377 35 35 ILE C C 178.501 0.000 1 378 35 35 ILE CA C 65.363 0.054 1 379 35 35 ILE CB C 38.960 0.083 1 380 35 35 ILE CG1 C 28.805 0.053 1 381 35 35 ILE CG2 C 18.662 0.056 1 382 35 35 ILE CD1 C 14.212 0.075 1 383 35 35 ILE N N 120.733 0.050 1 384 36 36 LEU H H 8.370 0.006 1 385 36 36 LEU HA H 3.958 0.013 1 386 36 36 LEU HB2 H 1.378 0.010 2 387 36 36 LEU HB3 H 1.706 0.015 2 388 36 36 LEU HG H 1.767 0.014 1 389 36 36 LEU HD1 H 0.626 0.007 2 390 36 36 LEU HD2 H 0.716 0.008 2 391 36 36 LEU C C 178.244 0.000 1 392 36 36 LEU CA C 56.069 0.093 1 393 36 36 LEU CB C 40.528 0.084 1 394 36 36 LEU CG C 26.815 0.000 1 395 36 36 LEU CD1 C 21.162 0.031 2 396 36 36 LEU CD2 C 25.742 0.039 2 397 36 36 LEU N N 115.519 0.039 1 398 37 37 SER H H 7.523 0.005 1 399 37 37 SER HA H 4.197 0.011 1 400 37 37 SER HB2 H 3.970 0.009 2 401 37 37 SER HB3 H 3.970 0.009 2 402 37 37 SER C C 173.934 0.000 1 403 37 37 SER CA C 60.204 0.027 1 404 37 37 SER CB C 63.507 0.062 1 405 37 37 SER N N 113.976 0.034 1 406 38 38 GLU H H 7.185 0.010 1 407 38 38 GLU HA H 4.426 0.010 1 408 38 38 GLU HB2 H 1.844 0.011 2 409 38 38 GLU HB3 H 2.060 0.021 2 410 38 38 GLU HG2 H 2.138 0.011 2 411 38 38 GLU HG3 H 2.138 0.011 2 412 38 38 GLU C C 175.767 0.000 1 413 38 38 GLU CA C 55.046 0.067 1 414 38 38 GLU CB C 30.395 0.040 1 415 38 38 GLU CG C 36.017 0.052 1 416 38 38 GLU N N 123.219 0.037 1 417 39 39 GLU H H 8.632 0.008 1 418 39 39 GLU HA H 3.985 0.007 1 419 39 39 GLU HB2 H 1.917 0.010 2 420 39 39 GLU HB3 H 1.917 0.010 2 421 39 39 GLU HG2 H 2.190 0.015 2 422 39 39 GLU HG3 H 2.190 0.015 2 423 39 39 GLU C C 176.861 0.000 1 424 39 39 GLU CA C 58.331 0.059 1 425 39 39 GLU CB C 30.008 0.062 1 426 39 39 GLU CG C 36.287 0.025 1 427 39 39 GLU N N 126.955 0.037 1 428 40 40 ASP H H 8.560 0.005 1 429 40 40 ASP HA H 4.616 0.006 1 430 40 40 ASP HB2 H 2.494 0.009 2 431 40 40 ASP HB3 H 2.673 0.016 2 432 40 40 ASP C C 174.989 0.000 1 433 40 40 ASP CA C 53.281 0.047 1 434 40 40 ASP CB C 39.814 0.040 1 435 40 40 ASP N N 119.763 0.023 1 436 41 41 ARG H H 7.443 0.004 1 437 41 41 ARG HA H 4.390 0.011 1 438 41 41 ARG HB2 H 1.712 0.021 2 439 41 41 ARG HB3 H 1.712 0.021 2 440 41 41 ARG HG2 H 1.367 0.016 2 441 41 41 ARG HG3 H 1.367 0.016 2 442 41 41 ARG HD2 H 2.773 0.013 2 443 41 41 ARG HD3 H 3.102 0.014 2 444 41 41 ARG C C 175.553 0.000 1 445 41 41 ARG CA C 54.707 0.076 1 446 41 41 ARG CB C 31.865 0.102 1 447 41 41 ARG CG C 26.641 0.023 1 448 41 41 ARG CD C 43.540 0.123 1 449 41 41 ARG N N 119.595 0.030 1 450 42 42 SER H H 8.556 0.009 1 451 42 42 SER HA H 4.381 0.012 1 452 42 42 SER HB2 H 3.986 0.012 2 453 42 42 SER HB3 H 3.986 0.012 2 454 42 42 SER C C 175.361 0.000 1 455 42 42 SER CA C 57.137 0.063 1 456 42 42 SER CB C 65.166 0.057 1 457 42 42 SER N N 119.463 0.047 1 458 43 43 GLN H H 9.087 0.024 1 459 43 43 GLN HA H 4.018 0.012 1 460 43 43 GLN HB2 H 2.013 0.012 2 461 43 43 GLN HB3 H 2.072 0.008 2 462 43 43 GLN HG2 H 2.397 0.008 2 463 43 43 GLN HG3 H 2.397 0.008 2 464 43 43 GLN HE21 H 7.506 0.004 2 465 43 43 GLN HE22 H 6.831 0.004 2 466 43 43 GLN C C 178.768 0.000 1 467 43 43 GLN CA C 59.073 0.052 1 468 43 43 GLN CB C 27.871 0.050 1 469 43 43 GLN CG C 33.690 0.053 1 470 43 43 GLN N N 122.535 0.053 1 471 43 43 GLN NE2 N 112.304 0.046 1 472 44 44 GLU H H 8.958 0.006 1 473 44 44 GLU HA H 3.982 0.008 1 474 44 44 GLU HB2 H 1.833 0.006 2 475 44 44 GLU HB3 H 1.983 0.010 2 476 44 44 GLU HG2 H 2.206 0.017 2 477 44 44 GLU HG3 H 2.302 0.012 2 478 44 44 GLU C C 179.737 0.000 1 479 44 44 GLU CA C 60.142 0.115 1 480 44 44 GLU CB C 28.801 0.070 1 481 44 44 GLU CG C 36.909 0.066 1 482 44 44 GLU N N 120.308 0.036 1 483 45 45 MET H H 7.740 0.004 1 484 45 45 MET HA H 4.432 0.012 1 485 45 45 MET HB2 H 2.267 0.018 2 486 45 45 MET HB3 H 2.267 0.018 2 487 45 45 MET HG2 H 2.314 0.013 2 488 45 45 MET HG3 H 2.840 0.015 2 489 45 45 MET HE H 1.948 0.009 1 490 45 45 MET C C 178.153 0.000 1 491 45 45 MET CA C 57.117 0.086 1 492 45 45 MET CB C 32.517 0.110 1 493 45 45 MET CG C 33.564 0.050 1 494 45 45 MET N N 120.968 0.039 1 495 46 46 THR H H 8.190 0.006 1 496 46 46 THR HA H 3.620 0.011 1 497 46 46 THR HB H 4.186 0.017 1 498 46 46 THR HG1 H 5.996 0.000 1 499 46 46 THR HG2 H 1.122 0.014 1 500 46 46 THR C C 176.389 0.000 1 501 46 46 THR CA C 67.416 0.077 1 502 46 46 THR CB C 68.208 0.196 1 503 46 46 THR CG2 C 22.523 0.060 1 504 46 46 THR N N 120.159 0.024 1 505 47 47 ALA H H 8.292 0.005 1 506 47 47 ALA HA H 4.060 0.011 1 507 47 47 ALA HB H 1.412 0.012 1 508 47 47 ALA C C 179.554 0.000 1 509 47 47 ALA CA C 55.195 0.035 1 510 47 47 ALA CB C 17.654 0.106 1 511 47 47 ALA N N 124.729 0.050 1 512 48 48 LEU H H 7.723 0.007 1 513 48 48 LEU HA H 4.195 0.011 1 514 48 48 LEU HB2 H 2.038 0.016 2 515 48 48 LEU HB3 H 2.038 0.016 2 516 48 48 LEU HG H 1.370 0.018 1 517 48 48 LEU HD1 H 0.876 0.010 2 518 48 48 LEU HD2 H 0.785 0.005 2 519 48 48 LEU C C 178.022 0.000 1 520 48 48 LEU CA C 57.695 0.081 1 521 48 48 LEU CB C 41.236 0.055 1 522 48 48 LEU CG C 27.055 0.017 1 523 48 48 LEU CD1 C 22.678 0.078 2 524 48 48 LEU CD2 C 25.451 0.048 2 525 48 48 LEU N N 122.244 0.035 1 526 49 49 ALA H H 8.210 0.008 1 527 49 49 ALA HA H 3.854 0.015 1 528 49 49 ALA HB H 1.427 0.009 1 529 49 49 ALA C C 178.770 0.000 1 530 49 49 ALA CA C 55.836 0.071 1 531 49 49 ALA CB C 17.137 0.091 1 532 49 49 ALA N N 120.883 0.027 1 533 50 50 THR H H 7.891 0.006 1 534 50 50 THR HA H 3.765 0.008 1 535 50 50 THR HB H 4.234 0.011 1 536 50 50 THR HG1 H 5.416 0.016 1 537 50 50 THR HG2 H 1.177 0.015 1 538 50 50 THR C C 175.836 0.000 1 539 50 50 THR CA C 66.975 0.085 1 540 50 50 THR CB C 68.976 0.335 1 541 50 50 THR CG2 C 21.750 0.121 1 542 50 50 THR N N 113.676 0.027 1 543 51 51 GLU H H 7.877 0.005 1 544 51 51 GLU HA H 4.221 0.023 1 545 51 51 GLU HB2 H 2.110 0.014 2 546 51 51 GLU HB3 H 2.110 0.014 2 547 51 51 GLU HG2 H 1.930 0.015 2 548 51 51 GLU HG3 H 1.930 0.015 2 549 51 51 GLU C C 179.906 0.000 1 550 51 51 GLU CA C 59.436 0.085 1 551 51 51 GLU CB C 29.498 0.102 1 552 51 51 GLU CG C 36.347 0.000 1 553 51 51 GLU N N 123.445 0.038 1 554 52 52 LEU H H 8.670 0.004 1 555 52 52 LEU HA H 3.907 0.009 1 556 52 52 LEU HB2 H 1.863 0.025 2 557 52 52 LEU HB3 H 1.863 0.025 2 558 52 52 LEU HG H 1.465 0.010 1 559 52 52 LEU HD1 H 0.809 0.009 2 560 52 52 LEU HD2 H 0.637 0.008 2 561 52 52 LEU C C 178.993 0.000 1 562 52 52 LEU CA C 57.840 0.066 1 563 52 52 LEU CB C 42.076 0.064 1 564 52 52 LEU CD1 C 23.151 0.122 2 565 52 52 LEU CD2 C 26.531 0.044 2 566 52 52 LEU N N 121.629 0.041 1 567 53 53 LEU H H 8.336 0.028 1 568 53 53 LEU HA H 3.949 0.017 1 569 53 53 LEU HB2 H 1.927 0.012 2 570 53 53 LEU HB3 H 1.927 0.012 2 571 53 53 LEU HG H 1.766 0.018 1 572 53 53 LEU HD1 H 0.830 0.007 2 573 53 53 LEU HD2 H 0.802 0.011 2 574 53 53 LEU C C 179.950 0.000 1 575 53 53 LEU CA C 58.480 0.102 1 576 53 53 LEU CB C 41.341 0.080 1 577 53 53 LEU CG C 27.158 0.080 1 578 53 53 LEU CD1 C 23.143 0.026 2 579 53 53 LEU CD2 C 25.157 0.072 2 580 53 53 LEU N N 119.996 0.213 1 581 54 54 ASP H H 7.884 0.006 1 582 54 54 ASP HA H 4.409 0.015 1 583 54 54 ASP HB2 H 2.634 0.010 2 584 54 54 ASP HB3 H 2.840 0.019 2 585 54 54 ASP C C 179.383 0.000 1 586 54 54 ASP CA C 57.510 0.055 1 587 54 54 ASP CB C 40.275 0.050 1 588 54 54 ASP N N 120.632 0.042 1 589 55 55 THR H H 8.279 0.008 1 590 55 55 THR HA H 3.923 0.008 1 591 55 55 THR HB H 4.393 0.009 1 592 55 55 THR HG1 H 6.425 0.000 1 593 55 55 THR HG2 H 1.218 0.011 1 594 55 55 THR C C 177.066 0.000 1 595 55 55 THR CA C 67.018 0.070 1 596 55 55 THR CB C 68.725 0.206 1 597 55 55 THR CG2 C 21.844 0.088 1 598 55 55 THR N N 121.006 0.045 1 599 56 56 ILE H H 8.872 0.008 1 600 56 56 ILE HA H 3.748 0.010 1 601 56 56 ILE HB H 1.959 0.008 1 602 56 56 ILE HG12 H 1.587 0.008 2 603 56 56 ILE HG13 H 1.587 0.008 2 604 56 56 ILE HG2 H 0.920 0.017 1 605 56 56 ILE HD1 H 0.519 0.006 1 606 56 56 ILE C C 177.879 0.000 1 607 56 56 ILE CA C 65.765 0.080 1 608 56 56 ILE CB C 38.646 0.111 1 609 56 56 ILE CG1 C 29.413 0.081 1 610 56 56 ILE CG2 C 17.896 0.057 1 611 56 56 ILE CD1 C 14.224 0.044 1 612 56 56 ILE N N 125.465 0.048 1 613 57 57 GLU H H 8.024 0.007 1 614 57 57 GLU HA H 4.034 0.009 1 615 57 57 GLU HB2 H 2.058 0.013 2 616 57 57 GLU HB3 H 2.058 0.013 2 617 57 57 GLU HG2 H 2.364 0.017 2 618 57 57 GLU HG3 H 2.364 0.017 2 619 57 57 GLU C C 179.357 0.000 1 620 57 57 GLU CA C 59.241 0.073 1 621 57 57 GLU CB C 29.226 0.048 1 622 57 57 GLU CG C 36.041 0.031 1 623 57 57 GLU N N 119.951 0.048 1 624 58 58 ALA H H 8.026 0.007 1 625 58 58 ALA HA H 4.044 0.023 1 626 58 58 ALA HB H 1.503 0.009 1 627 58 58 ALA C C 180.049 0.000 1 628 58 58 ALA CA C 55.167 0.036 1 629 58 58 ALA CB C 17.836 0.032 1 630 58 58 ALA N N 122.402 0.030 1 631 59 59 PHE H H 8.243 0.007 1 632 59 59 PHE HA H 4.165 0.019 1 633 59 59 PHE HB2 H 3.229 0.030 2 634 59 59 PHE HB3 H 3.229 0.030 2 635 59 59 PHE HD1 H 6.829 0.033 3 636 59 59 PHE HD2 H 6.829 0.033 3 637 59 59 PHE HE1 H 6.715 0.027 3 638 59 59 PHE HE2 H 6.715 0.027 3 639 59 59 PHE HZ H 6.773 0.011 1 640 59 59 PHE C C 177.169 0.000 1 641 59 59 PHE CA C 61.373 0.072 1 642 59 59 PHE CB C 39.384 0.062 1 643 59 59 PHE CD1 C 132.317 0.233 3 644 59 59 PHE CD2 C 132.317 0.233 3 645 59 59 PHE CE1 C 130.580 0.071 3 646 59 59 PHE CE2 C 130.580 0.071 3 647 59 59 PHE CZ C 132.282 0.000 1 648 59 59 PHE N N 122.034 0.046 1 649 60 60 LYS H H 7.978 0.007 1 650 60 60 LYS HA H 3.490 0.009 1 651 60 60 LYS HB2 H 1.811 0.012 2 652 60 60 LYS HB3 H 1.811 0.012 2 653 60 60 LYS HG2 H 1.238 0.012 2 654 60 60 LYS HG3 H 1.761 0.019 2 655 60 60 LYS HD2 H 1.750 0.017 2 656 60 60 LYS HD3 H 1.750 0.017 2 657 60 60 LYS HE2 H 2.873 0.021 2 658 60 60 LYS HE3 H 2.873 0.021 2 659 60 60 LYS C C 179.705 0.000 1 660 60 60 LYS CA C 60.051 0.045 1 661 60 60 LYS CB C 32.376 0.090 1 662 60 60 LYS CG C 25.937 0.058 1 663 60 60 LYS CD C 29.567 0.083 1 664 60 60 LYS CE C 41.873 0.100 1 665 60 60 LYS N N 117.415 0.044 1 666 61 61 LYS H H 7.853 0.005 1 667 61 61 LYS HA H 3.942 0.015 1 668 61 61 LYS HB2 H 1.824 0.009 2 669 61 61 LYS HB3 H 1.824 0.009 2 670 61 61 LYS HG2 H 1.341 0.004 2 671 61 61 LYS HG3 H 1.485 0.007 2 672 61 61 LYS HD2 H 1.601 0.028 2 673 61 61 LYS HD3 H 1.601 0.028 2 674 61 61 LYS HE2 H 2.881 0.007 2 675 61 61 LYS HE3 H 2.881 0.007 2 676 61 61 LYS C C 178.728 0.000 1 677 61 61 LYS CA C 58.878 0.036 1 678 61 61 LYS CB C 32.626 0.067 1 679 61 61 LYS CG C 25.181 0.038 1 680 61 61 LYS CD C 29.255 0.035 1 681 61 61 LYS CE C 41.949 0.123 1 682 61 61 LYS N N 119.540 0.032 1 683 62 62 GLU H H 7.956 0.006 1 684 62 62 GLU HA H 3.933 0.008 1 685 62 62 GLU HB2 H 1.930 0.008 2 686 62 62 GLU HB3 H 1.982 0.004 2 687 62 62 GLU HG2 H 2.073 0.005 2 688 62 62 GLU HG3 H 2.073 0.005 2 689 62 62 GLU C C 178.405 0.000 1 690 62 62 GLU CA C 58.655 0.051 1 691 62 62 GLU CB C 29.439 0.054 1 692 62 62 GLU CG C 35.830 0.101 1 693 62 62 GLU N N 121.166 0.042 1 694 63 63 ILE H H 7.652 0.009 1 695 63 63 ILE HA H 3.707 0.010 1 696 63 63 ILE HB H 1.428 0.011 1 697 63 63 ILE HG12 H 0.594 0.010 2 698 63 63 ILE HG13 H 0.758 0.010 2 699 63 63 ILE HG2 H 0.504 0.016 1 700 63 63 ILE HD1 H 0.245 0.013 1 701 63 63 ILE C C 177.438 0.000 1 702 63 63 ILE CA C 61.473 0.111 1 703 63 63 ILE CB C 36.546 0.055 1 704 63 63 ILE CG1 C 27.396 0.076 1 705 63 63 ILE CG2 C 18.151 0.057 1 706 63 63 ILE CD1 C 11.579 0.177 1 707 63 63 ILE N N 117.896 0.051 1 708 64 64 GLY H H 7.654 0.008 1 709 64 64 GLY HA2 H 3.757 0.024 2 710 64 64 GLY HA3 H 3.830 0.003 2 711 64 64 GLY C C 175.261 0.000 1 712 64 64 GLY CA C 45.891 0.065 1 713 64 64 GLY N N 108.028 0.033 1 714 65 65 GLY H H 7.817 0.010 1 715 65 65 GLY HA2 H 3.833 0.016 2 716 65 65 GLY HA3 H 3.933 0.007 2 717 65 65 GLY C C 174.844 0.000 1 718 65 65 GLY CA C 45.608 0.043 1 719 65 65 GLY N N 108.488 0.040 1 720 66 66 GLU H H 8.195 0.006 1 721 66 66 GLU HA H 4.167 0.016 1 722 66 66 GLU HB2 H 1.886 0.013 2 723 66 66 GLU HB3 H 1.886 0.013 2 724 66 66 GLU HG2 H 2.163 0.017 2 725 66 66 GLU HG3 H 2.163 0.017 2 726 66 66 GLU C C 177.218 0.000 1 727 66 66 GLU CA C 57.075 0.097 1 728 66 66 GLU CB C 30.015 0.030 1 729 66 66 GLU N N 121.078 0.026 1 730 67 67 SER H H 8.205 0.012 1 731 67 67 SER HA H 4.187 0.020 1 732 67 67 SER HB2 H 3.748 0.027 2 733 67 67 SER HB3 H 3.748 0.027 2 734 67 67 SER C C 174.670 0.000 1 735 67 67 SER CA C 58.875 0.048 1 736 67 67 SER CB C 63.783 0.067 1 737 67 67 SER N N 116.370 0.035 1 738 68 68 GLU H H 8.170 0.010 1 739 68 68 GLU HA H 4.173 0.006 1 740 68 68 GLU HB2 H 1.856 0.013 2 741 68 68 GLU HB3 H 2.024 0.014 2 742 68 68 GLU HG2 H 2.168 0.016 2 743 68 68 GLU HG3 H 2.168 0.016 2 744 68 68 GLU C C 176.364 0.000 1 745 68 68 GLU CA C 56.734 0.092 1 746 68 68 GLU CB C 29.986 0.044 1 747 68 68 GLU CG C 36.314 0.024 1 748 68 68 GLU N N 122.388 0.030 1 749 69 69 ALA H H 7.931 0.008 1 750 69 69 ALA HA H 4.212 0.011 1 751 69 69 ALA HB H 1.337 0.009 1 752 69 69 ALA C C 178.042 0.000 1 753 69 69 ALA CA C 52.468 0.047 1 754 69 69 ALA CB C 19.411 0.075 1 755 69 69 ALA N N 124.265 0.029 1 756 70 70 GLU H H 8.447 0.009 1 757 70 70 GLU HA H 4.110 0.012 1 758 70 70 GLU HB2 H 1.894 0.010 2 759 70 70 GLU HB3 H 1.972 0.016 2 760 70 70 GLU HG2 H 2.178 0.020 2 761 70 70 GLU HG3 H 2.178 0.020 2 762 70 70 GLU C C 180.047 0.000 1 763 70 70 GLU CA C 57.325 0.059 1 764 70 70 GLU CB C 29.969 0.053 1 765 70 70 GLU CG C 36.261 0.036 1 766 70 70 GLU N N 121.086 0.040 1 767 71 71 ASP H H 8.308 0.013 1 768 71 71 ASP HA H 4.545 0.009 1 769 71 71 ASP HB2 H 2.635 0.015 2 770 71 71 ASP HB3 H 2.635 0.015 2 771 71 71 ASP C C 176.385 0.000 1 772 71 71 ASP CA C 54.149 0.093 1 773 71 71 ASP CB C 40.756 0.052 1 774 71 71 ASP N N 120.210 0.021 1 775 72 72 SER H H 7.954 0.008 1 776 72 72 SER HA H 4.259 0.013 1 777 72 72 SER HB2 H 3.845 0.023 2 778 72 72 SER HB3 H 3.845 0.023 2 779 72 72 SER C C 174.578 0.000 1 780 72 72 SER CA C 58.851 0.154 1 781 72 72 SER CB C 63.870 0.083 1 782 72 72 SER N N 116.137 0.025 1 783 73 73 ASP H H 8.384 0.009 1 784 73 73 ASP HA H 4.534 0.011 1 785 73 73 ASP HB2 H 2.650 0.014 2 786 73 73 ASP HB3 H 2.650 0.014 2 787 73 73 ASP C C 176.903 0.000 1 788 73 73 ASP CA C 54.442 0.057 1 789 73 73 ASP CB C 41.253 0.165 1 790 73 73 ASP N N 122.500 0.023 1 791 74 74 LYS H H 8.338 0.006 1 792 74 74 LYS HA H 4.099 0.009 1 793 74 74 LYS HB2 H 1.791 0.012 2 794 74 74 LYS HB3 H 1.865 0.008 2 795 74 74 LYS HG2 H 1.375 0.013 2 796 74 74 LYS HG3 H 1.440 0.014 2 797 74 74 LYS HD2 H 1.578 0.007 2 798 74 74 LYS HD3 H 1.578 0.007 2 799 74 74 LYS HE2 H 2.955 0.000 2 800 74 74 LYS HE3 H 3.181 0.008 2 801 74 74 LYS C C 177.606 0.000 1 802 74 74 LYS CA C 57.527 0.108 1 803 74 74 LYS CB C 32.115 0.051 1 804 74 74 LYS CG C 24.931 0.069 1 805 74 74 LYS CD C 28.954 0.088 1 806 74 74 LYS CE C 42.133 0.012 1 807 74 74 LYS N N 123.374 0.031 1 808 75 75 SER H H 8.409 0.007 1 809 75 75 SER HA H 4.190 0.009 1 810 75 75 SER HB2 H 3.867 0.015 2 811 75 75 SER HB3 H 3.867 0.015 2 812 75 75 SER C C 176.030 0.000 1 813 75 75 SER CA C 60.560 0.072 1 814 75 75 SER CB C 62.971 0.071 1 815 75 75 SER N N 116.404 0.031 1 816 76 76 LEU H H 8.068 0.016 1 817 76 76 LEU HA H 4.121 0.011 1 818 76 76 LEU HB2 H 1.455 0.010 2 819 76 76 LEU HB3 H 1.665 0.012 2 820 76 76 LEU HG H 1.574 0.012 1 821 76 76 LEU HD1 H 0.777 0.010 2 822 76 76 LEU HD2 H 0.847 0.013 2 823 76 76 LEU C C 178.263 0.000 1 824 76 76 LEU CA C 56.665 0.131 1 825 76 76 LEU CB C 41.538 0.073 1 826 76 76 LEU CG C 27.219 0.062 1 827 76 76 LEU CD1 C 23.438 0.075 2 828 76 76 LEU CD2 C 25.264 0.078 2 829 76 76 LEU N N 123.753 0.025 1 830 77 77 HIS H H 7.955 0.013 1 831 77 77 HIS HA H 4.372 0.011 1 832 77 77 HIS HB2 H 3.159 0.018 2 833 77 77 HIS HB3 H 3.159 0.018 2 834 77 77 HIS HD2 H 7.009 0.036 1 835 77 77 HIS HE1 H 7.875 0.032 1 836 77 77 HIS HE2 H 9.407 0.158 1 837 77 77 HIS C C 177.974 0.000 1 838 77 77 HIS CA C 58.504 0.099 1 839 77 77 HIS CB C 30.124 0.096 1 840 77 77 HIS CD2 C 119.324 0.105 1 841 77 77 HIS CE1 C 138.212 0.040 1 842 77 77 HIS N N 120.235 0.062 1 843 78 78 VAL H H 7.953 0.006 1 844 78 78 VAL HA H 3.612 0.019 1 845 78 78 VAL HB H 2.036 0.017 1 846 78 78 VAL HG1 H 0.776 0.019 2 847 78 78 VAL HG2 H 0.944 0.028 2 848 78 78 VAL C C 177.688 0.000 1 849 78 78 VAL CA C 65.817 0.127 1 850 78 78 VAL CB C 31.729 0.133 1 851 78 78 VAL CG1 C 21.119 0.083 2 852 78 78 VAL CG2 C 22.203 0.076 2 853 78 78 VAL N N 121.721 0.061 1 854 79 79 MET H H 8.132 0.012 1 855 79 79 MET HA H 3.879 0.029 1 856 79 79 MET HB2 H 2.080 0.037 2 857 79 79 MET HB3 H 2.080 0.037 2 858 79 79 MET HG2 H 2.329 0.023 2 859 79 79 MET HG3 H 2.688 0.010 2 860 79 79 MET HE H 1.966 0.031 1 861 79 79 MET C C 180.609 0.000 1 862 79 79 MET CA C 59.210 0.146 1 863 79 79 MET CB C 34.157 0.083 1 864 79 79 MET CG C 32.912 0.065 1 865 79 79 MET CE C 16.749 0.085 1 866 79 79 MET N N 119.138 0.061 1 867 80 80 ASN H H 8.195 0.004 1 868 80 80 ASN HA H 4.161 0.024 1 869 80 80 ASN HB2 H 2.664 0.023 2 870 80 80 ASN HB3 H 2.757 0.019 2 871 80 80 ASN C C 178.212 0.000 1 872 80 80 ASN CA C 56.827 0.061 1 873 80 80 ASN CB C 38.920 0.080 1 874 80 80 ASN N N 117.000 0.058 1 875 81 81 THR H H 7.952 0.015 1 876 81 81 THR HA H 3.975 0.022 1 877 81 81 THR HB H 4.243 0.018 1 878 81 81 THR HG1 H 5.830 0.000 1 879 81 81 THR HG2 H 1.190 0.041 1 880 81 81 THR C C 175.237 0.000 1 881 81 81 THR CA C 66.507 0.103 1 882 81 81 THR CB C 68.813 0.153 1 883 81 81 THR CG2 C 22.158 0.045 1 884 81 81 THR N N 116.021 0.109 1 885 82 82 LEU H H 7.655 0.014 1 886 82 82 LEU HA H 4.040 0.027 1 887 82 82 LEU HB2 H 1.567 0.012 2 888 82 82 LEU HB3 H 1.273 0.041 2 889 82 82 LEU HG H 1.828 0.017 1 890 82 82 LEU HD1 H 0.200 0.013 2 891 82 82 LEU HD2 H 0.473 0.013 2 892 82 82 LEU C C 177.541 0.000 1 893 82 82 LEU CA C 56.468 0.091 1 894 82 82 LEU CB C 42.247 0.099 1 895 82 82 LEU CD1 C 25.654 0.046 2 896 82 82 LEU CD2 C 22.893 0.054 2 897 82 82 LEU N N 119.041 0.063 1 898 83 83 ILE H H 7.455 0.010 1 899 83 83 ILE HA H 3.805 0.011 1 900 83 83 ILE HB H 1.589 0.022 1 901 83 83 ILE HG12 H 0.569 0.015 2 902 83 83 ILE HG13 H 1.177 0.133 2 903 83 83 ILE HG2 H 0.198 0.018 1 904 83 83 ILE HD1 H 0.215 0.010 1 905 83 83 ILE C C 176.681 0.000 1 906 83 83 ILE CA C 63.188 0.052 1 907 83 83 ILE CB C 37.939 0.060 1 908 83 83 ILE CG1 C 28.035 0.063 1 909 83 83 ILE CG2 C 16.545 0.076 1 910 83 83 ILE CD1 C 12.818 0.045 1 911 83 83 ILE N N 118.063 0.051 1 912 84 84 HIS H H 7.168 0.011 1 913 84 84 HIS HA H 4.568 0.026 1 914 84 84 HIS HB2 H 2.910 0.020 2 915 84 84 HIS HB3 H 3.173 0.061 2 916 84 84 HIS HD2 H 7.118 0.026 1 917 84 84 HIS HE1 H 7.847 0.034 1 918 84 84 HIS HE2 H 9.618 0.062 1 919 84 84 HIS C C 175.568 0.000 1 920 84 84 HIS CA C 58.425 0.091 1 921 84 84 HIS CB C 31.801 0.136 1 922 84 84 HIS CD2 C 120.759 0.072 1 923 84 84 HIS CE1 C 137.953 0.068 1 924 84 84 HIS N N 116.118 0.043 1 925 85 85 ASP H H 8.576 0.008 1 926 85 85 ASP HA H 4.546 0.024 1 927 85 85 ASP HB2 H 2.457 0.031 2 928 85 85 ASP HB3 H 2.457 0.031 2 929 85 85 ASP C C 175.527 0.000 1 930 85 85 ASP CA C 53.215 0.053 1 931 85 85 ASP CB C 40.936 0.062 1 932 85 85 ASP N N 122.411 0.029 1 933 86 86 GLN H H 8.715 0.007 1 934 86 86 GLN HA H 4.077 0.020 1 935 86 86 GLN HB2 H 2.132 0.015 2 936 86 86 GLN HB3 H 2.132 0.015 2 937 86 86 GLN HG2 H 2.548 0.026 2 938 86 86 GLN HG3 H 2.548 0.026 2 939 86 86 GLN HE21 H 6.788 0.001 2 940 86 86 GLN HE22 H 7.194 0.006 2 941 86 86 GLN C C 178.518 0.000 1 942 86 86 GLN CA C 57.816 0.111 1 943 86 86 GLN CB C 29.165 0.088 1 944 86 86 GLN CG C 34.664 0.078 1 945 86 86 GLN N N 122.561 0.072 1 946 86 86 GLN NE2 N 114.380 0.067 1 947 87 87 GLU H H 8.073 0.004 1 948 87 87 GLU HA H 4.042 0.018 1 949 87 87 GLU HB2 H 2.019 0.007 2 950 87 87 GLU HB3 H 2.019 0.007 2 951 87 87 GLU HG2 H 2.386 0.014 2 952 87 87 GLU HG3 H 2.548 0.026 2 953 87 87 GLU C C 178.154 0.000 1 954 87 87 GLU CA C 59.051 0.111 1 955 87 87 GLU CB C 29.231 0.063 1 956 87 87 GLU CG C 36.035 0.022 1 957 87 87 GLU N N 121.616 0.036 1 958 88 88 LYS H H 7.525 0.007 1 959 88 88 LYS HA H 3.754 0.021 1 960 88 88 LYS HB2 H 2.042 0.045 2 961 88 88 LYS HB3 H 2.042 0.045 2 962 88 88 LYS HG2 H 1.312 0.028 2 963 88 88 LYS HG3 H 1.514 0.015 2 964 88 88 LYS HD2 H 1.582 0.012 2 965 88 88 LYS HD3 H 1.582 0.012 2 966 88 88 LYS HE2 H 2.842 0.026 2 967 88 88 LYS HE3 H 2.842 0.026 2 968 88 88 LYS C C 177.129 0.000 1 969 88 88 LYS CA C 59.721 0.074 1 970 88 88 LYS CB C 32.253 0.188 1 971 88 88 LYS CG C 25.755 0.085 1 972 88 88 LYS CD C 29.540 0.073 1 973 88 88 LYS CE C 42.026 0.043 1 974 88 88 LYS N N 119.006 0.112 1 975 89 89 ALA H H 8.472 0.021 1 976 89 89 ALA HA H 3.734 0.015 1 977 89 89 ALA HB H 1.538 0.024 1 978 89 89 ALA C C 177.545 0.000 1 979 89 89 ALA CA C 55.977 0.062 1 980 89 89 ALA CB C 18.763 0.025 1 981 89 89 ALA N N 121.945 0.099 1 982 90 90 LYS H H 6.684 0.014 1 983 90 90 LYS HA H 4.015 0.018 1 984 90 90 LYS HB2 H 1.967 0.044 2 985 90 90 LYS HB3 H 1.967 0.044 2 986 90 90 LYS HG2 H 1.257 0.042 2 987 90 90 LYS HG3 H 1.257 0.042 2 988 90 90 LYS HD2 H 1.611 0.014 2 989 90 90 LYS HD3 H 1.611 0.014 2 990 90 90 LYS HE2 H 2.925 0.045 2 991 90 90 LYS HE3 H 3.160 0.013 2 992 90 90 LYS C C 177.667 0.000 1 993 90 90 LYS CA C 58.703 0.079 1 994 90 90 LYS CB C 32.779 0.000 1 995 90 90 LYS CD C 29.186 0.052 1 996 90 90 LYS N N 117.743 0.070 1 997 91 91 ILE H H 7.196 0.008 1 998 91 91 ILE HA H 3.414 0.012 1 999 91 91 ILE HB H 1.698 0.017 1 1000 91 91 ILE HG12 H 1.149 0.016 2 1001 91 91 ILE HG13 H 1.513 0.011 2 1002 91 91 ILE HG2 H 0.792 0.014 1 1003 91 91 ILE HD1 H 0.705 0.013 1 1004 91 91 ILE C C 178.422 0.000 1 1005 91 91 ILE CA C 64.094 0.076 1 1006 91 91 ILE CB C 37.481 0.101 1 1007 91 91 ILE CG1 C 28.694 0.086 1 1008 91 91 ILE CG2 C 18.394 0.124 1 1009 91 91 ILE CD1 C 12.687 0.093 1 1010 91 91 ILE N N 117.216 0.127 1 1011 92 92 TYR H H 8.466 0.014 1 1012 92 92 TYR HA H 4.047 0.017 1 1013 92 92 TYR HB2 H 2.939 0.042 2 1014 92 92 TYR HB3 H 2.939 0.042 2 1015 92 92 TYR HD1 H 6.794 0.036 3 1016 92 92 TYR HD2 H 6.794 0.036 3 1017 92 92 TYR HE1 H 6.595 0.037 3 1018 92 92 TYR HE2 H 6.595 0.037 3 1019 92 92 TYR C C 177.726 0.000 1 1020 92 92 TYR CA C 61.771 0.060 1 1021 92 92 TYR CB C 39.295 0.069 1 1022 92 92 TYR CD1 C 132.152 0.000 3 1023 92 92 TYR CD2 C 132.152 0.000 3 1024 92 92 TYR CE1 C 117.986 0.116 3 1025 92 92 TYR CE2 C 117.986 0.116 3 1026 92 92 TYR N N 122.201 0.050 1 1027 93 93 MET H H 8.269 0.013 1 1028 93 93 MET HA H 3.896 0.027 1 1029 93 93 MET HB2 H 1.975 0.015 2 1030 93 93 MET HB3 H 1.975 0.015 2 1031 93 93 MET HG2 H 2.474 0.025 2 1032 93 93 MET HG3 H 2.534 0.007 2 1033 93 93 MET HE H 1.982 0.005 1 1034 93 93 MET C C 180.221 0.000 1 1035 93 93 MET CA C 57.586 0.049 1 1036 93 93 MET CB C 30.854 0.000 1 1037 93 93 MET CG C 33.693 0.063 1 1038 93 93 MET N N 117.420 0.037 1 1039 94 94 LEU H H 8.733 0.013 1 1040 94 94 LEU HA H 3.826 0.015 1 1041 94 94 LEU HB2 H 1.890 0.021 2 1042 94 94 LEU HB3 H 1.553 0.007 2 1043 94 94 LEU HG H 1.577 0.031 1 1044 94 94 LEU HD1 H 0.934 0.005 2 1045 94 94 LEU HD2 H 0.707 0.018 2 1046 94 94 LEU C C 177.787 0.000 1 1047 94 94 LEU CA C 58.729 0.072 1 1048 94 94 LEU CB C 42.188 0.109 1 1049 94 94 LEU CG C 27.258 0.304 1 1050 94 94 LEU CD1 C 25.589 0.060 2 1051 94 94 LEU CD2 C 23.896 0.059 2 1052 94 94 LEU N N 125.183 0.043 1 1053 95 95 ASN H H 8.951 0.018 1 1054 95 95 ASN HA H 4.184 0.017 1 1055 95 95 ASN HB2 H 2.664 0.000 2 1056 95 95 ASN HB3 H 2.664 0.000 2 1057 95 95 ASN C C 178.481 0.000 1 1058 95 95 ASN CA C 56.312 0.103 1 1059 95 95 ASN N N 121.517 0.019 1 1060 96 96 PHE H H 8.454 0.010 1 1061 96 96 PHE HA H 4.341 0.013 1 1062 96 96 PHE HB2 H 2.533 0.009 2 1063 96 96 PHE HB3 H 2.667 0.017 2 1064 96 96 PHE HD1 H 6.970 0.035 3 1065 96 96 PHE HD2 H 6.970 0.035 3 1066 96 96 PHE HE1 H 7.135 0.020 3 1067 96 96 PHE HE2 H 7.135 0.020 3 1068 96 96 PHE HZ H 6.630 0.022 1 1069 96 96 PHE C C 177.925 0.000 1 1070 96 96 PHE CA C 62.427 0.058 1 1071 96 96 PHE CD1 C 132.596 0.004 3 1072 96 96 PHE CD2 C 132.596 0.004 3 1073 96 96 PHE CZ C 131.684 0.000 1 1074 96 96 PHE N N 122.778 0.050 1 1075 97 97 THR H H 8.209 0.016 1 1076 97 97 THR HA H 3.369 0.016 1 1077 97 97 THR HB H 3.639 0.018 1 1078 97 97 THR HG2 H 0.150 0.017 1 1079 97 97 THR C C 176.185 0.000 1 1080 97 97 THR CA C 68.090 0.089 1 1081 97 97 THR CB C 68.087 0.052 1 1082 97 97 THR CG2 C 21.837 0.087 1 1083 97 97 THR N N 117.115 0.042 1 1084 98 98 MET H H 8.958 0.027 1 1085 98 98 MET HA H 4.360 0.028 1 1086 98 98 MET HB2 H 2.040 0.016 2 1087 98 98 MET HB3 H 2.040 0.016 2 1088 98 98 MET HG2 H 2.213 0.036 2 1089 98 98 MET HG3 H 2.213 0.036 2 1090 98 98 MET HE H 1.978 0.009 1 1091 98 98 MET C C 177.887 0.000 1 1092 98 98 MET CA C 58.143 0.062 1 1093 98 98 MET CB C 31.948 0.000 1 1094 98 98 MET CG C 36.061 0.001 1 1095 98 98 MET CE C 16.813 0.025 1 1096 98 98 MET N N 119.373 0.073 1 1097 99 99 SER H H 7.708 0.009 1 1098 99 99 SER HA H 4.043 0.015 1 1099 99 99 SER HB2 H 3.750 0.011 2 1100 99 99 SER HB3 H 3.750 0.011 2 1101 99 99 SER C C 176.195 0.000 1 1102 99 99 SER CA C 62.481 0.065 1 1103 99 99 SER CB C 62.692 0.003 1 1104 99 99 SER N N 114.517 0.069 1 1105 100 100 LEU H H 7.277 0.037 1 1106 100 100 LEU HA H 3.913 0.019 1 1107 100 100 LEU HB2 H 1.734 0.015 2 1108 100 100 LEU HB3 H 1.734 0.015 2 1109 100 100 LEU HD1 H 0.836 0.005 2 1110 100 100 LEU HD2 H 0.953 0.013 2 1111 100 100 LEU C C 177.327 0.000 1 1112 100 100 LEU CA C 58.005 0.035 1 1113 100 100 LEU CB C 41.841 0.095 1 1114 100 100 LEU CD1 C 23.484 0.071 2 1115 100 100 LEU CD2 C 26.596 0.053 2 1116 100 100 LEU N N 125.126 0.119 1 1117 101 101 TYR H H 8.858 0.011 1 1118 101 101 TYR HA H 4.143 0.013 1 1119 101 101 TYR HB2 H 3.089 0.020 2 1120 101 101 TYR HB3 H 3.089 0.020 2 1121 101 101 TYR HD1 H 7.189 0.034 3 1122 101 101 TYR HD2 H 7.189 0.034 3 1123 101 101 TYR HE1 H 6.710 0.021 3 1124 101 101 TYR HE2 H 6.710 0.021 3 1125 101 101 TYR C C 176.784 0.000 1 1126 101 101 TYR CA C 61.543 0.034 1 1127 101 101 TYR CB C 40.909 0.086 1 1128 101 101 TYR CD1 C 132.744 0.059 3 1129 101 101 TYR CD2 C 132.744 0.059 3 1130 101 101 TYR CE1 C 117.616 0.336 3 1131 101 101 TYR CE2 C 117.616 0.336 3 1132 101 101 TYR N N 120.940 0.037 1 1133 102 102 ASN H H 8.700 0.016 1 1134 102 102 ASN HA H 4.116 0.012 1 1135 102 102 ASN HB2 H 2.809 0.022 2 1136 102 102 ASN HB3 H 2.809 0.022 2 1137 102 102 ASN C C 178.713 0.000 1 1138 102 102 ASN CA C 55.734 0.031 1 1139 102 102 ASN N N 119.067 0.091 1 1140 103 103 GLU H H 7.599 0.005 1 1141 103 103 GLU HA H 3.944 0.015 1 1142 103 103 GLU HB2 H 2.162 0.013 2 1143 103 103 GLU HB3 H 2.162 0.013 2 1144 103 103 GLU HG2 H 2.456 0.000 2 1145 103 103 GLU HG3 H 2.456 0.000 2 1146 103 103 GLU C C 179.012 0.000 1 1147 103 103 GLU CA C 59.506 0.038 1 1148 103 103 GLU CB C 29.349 0.052 1 1149 103 103 GLU N N 119.558 0.039 1 1150 104 104 LYS H H 8.311 0.005 1 1151 104 104 LYS HA H 4.051 0.013 1 1152 104 104 LYS HB2 H 1.828 0.011 2 1153 104 104 LYS HB3 H 1.828 0.011 2 1154 104 104 LYS HG2 H 1.510 0.008 2 1155 104 104 LYS HG3 H 1.510 0.008 2 1156 104 104 LYS HD2 H 1.645 0.018 2 1157 104 104 LYS HD3 H 1.645 0.018 2 1158 104 104 LYS HE2 H 2.625 0.004 2 1159 104 104 LYS HE3 H 2.765 0.013 2 1160 104 104 LYS C C 178.477 0.000 1 1161 104 104 LYS CA C 56.534 0.095 1 1162 104 104 LYS CB C 29.108 0.000 1 1163 104 104 LYS N N 120.218 0.034 1 1164 105 105 LEU H H 8.604 0.005 1 1165 105 105 LEU HA H 3.774 0.026 1 1166 105 105 LEU HB2 H 1.914 0.013 2 1167 105 105 LEU HB3 H 1.914 0.013 2 1168 105 105 LEU HG H 1.077 0.012 1 1169 105 105 LEU HD1 H 0.844 0.014 2 1170 105 105 LEU HD2 H 0.396 0.014 2 1171 105 105 LEU C C 180.224 0.000 1 1172 105 105 LEU CA C 58.148 0.075 1 1173 105 105 LEU CB C 42.394 0.248 1 1174 105 105 LEU CG C 27.748 0.000 1 1175 105 105 LEU CD1 C 24.898 0.069 2 1176 105 105 LEU CD2 C 25.269 0.047 2 1177 105 105 LEU N N 122.110 0.032 1 1178 106 106 LYS H H 7.339 0.006 1 1179 106 106 LYS HA H 4.035 0.023 1 1180 106 106 LYS HB2 H 1.797 0.008 2 1181 106 106 LYS HB3 H 1.797 0.008 2 1182 106 106 LYS HG2 H 1.417 0.008 2 1183 106 106 LYS HG3 H 1.417 0.008 2 1184 106 106 LYS HD2 H 1.638 0.023 2 1185 106 106 LYS HD3 H 1.638 0.023 2 1186 106 106 LYS HE2 H 2.899 0.000 2 1187 106 106 LYS HE3 H 2.899 0.000 2 1188 106 106 LYS C C 178.496 0.000 1 1189 106 106 LYS CA C 59.820 0.088 1 1190 106 106 LYS CB C 31.956 0.138 1 1191 106 106 LYS N N 119.031 0.029 1 1192 107 107 GLN H H 7.590 0.017 1 1193 107 107 GLN HA H 3.744 0.010 1 1194 107 107 GLN HB2 H 2.009 0.008 2 1195 107 107 GLN HB3 H 2.009 0.008 2 1196 107 107 GLN HG2 H 2.558 0.018 2 1197 107 107 GLN HG3 H 2.558 0.018 2 1198 107 107 GLN C C 178.103 0.000 1 1199 107 107 GLN CA C 58.582 0.012 1 1200 107 107 GLN CB C 26.969 0.000 1 1201 107 107 GLN N N 121.417 0.025 1 1202 108 108 LEU H H 8.450 0.029 1 1203 108 108 LEU HA H 3.806 0.045 1 1204 108 108 LEU HB2 H 0.822 0.005 2 1205 108 108 LEU HB3 H 1.797 0.010 2 1206 108 108 LEU HG H 1.147 0.000 1 1207 108 108 LEU HD1 H 0.497 0.014 2 1208 108 108 LEU HD2 H 0.324 0.009 2 1209 108 108 LEU C C 178.978 0.000 1 1210 108 108 LEU CA C 58.306 0.220 1 1211 108 108 LEU CB C 42.112 0.218 1 1212 108 108 LEU CD1 C 27.539 0.063 2 1213 108 108 LEU CD2 C 21.460 0.060 2 1214 108 108 LEU N N 120.629 0.022 1 1215 109 109 LYS H H 7.295 0.012 1 1216 109 109 LYS HA H 4.166 0.029 1 1217 109 109 LYS HB2 H 2.002 0.026 2 1218 109 109 LYS HB3 H 2.002 0.026 2 1219 109 109 LYS HG2 H 1.360 0.010 2 1220 109 109 LYS HG3 H 1.423 0.011 2 1221 109 109 LYS HE2 H 2.864 0.057 2 1222 109 109 LYS HE3 H 2.864 0.057 2 1223 109 109 LYS C C 177.859 0.000 1 1224 109 109 LYS CA C 58.746 0.132 1 1225 109 109 LYS CB C 32.637 0.144 1 1226 109 109 LYS CG C 24.206 0.092 1 1227 109 109 LYS CD C 29.114 0.051 1 1228 109 109 LYS CE C 41.878 0.348 1 1229 109 109 LYS N N 119.584 0.052 1 1230 110 110 ASP H H 7.807 0.008 1 1231 110 110 ASP HA H 4.604 0.017 1 1232 110 110 ASP HB2 H 2.389 0.017 2 1233 110 110 ASP HB3 H 2.586 0.018 2 1234 110 110 ASP C C 177.157 0.000 1 1235 110 110 ASP CA C 55.768 0.076 1 1236 110 110 ASP CB C 42.724 0.090 1 1237 110 110 ASP N N 116.950 0.051 1 1238 111 111 GLY H H 8.554 0.013 1 1239 111 111 GLY HA2 H 3.817 0.016 2 1240 111 111 GLY HA3 H 3.817 0.016 2 1241 111 111 GLY CA C 41.845 0.124 1 1242 111 111 GLY N N 114.046 0.048 1 1243 112 112 PRO HA H 4.552 0.021 1 1244 112 112 PRO HB2 H 1.793 0.008 2 1245 112 112 PRO HB3 H 2.209 0.049 2 1246 112 112 PRO HG2 H 1.925 0.007 2 1247 112 112 PRO HG3 H 1.925 0.007 2 1248 112 112 PRO HD2 H 3.567 0.010 2 1249 112 112 PRO HD3 H 3.730 0.016 2 1250 112 112 PRO C C 174.967 0.000 1 1251 112 112 PRO CA C 61.222 0.043 1 1252 112 112 PRO CB C 35.056 0.112 1 1253 112 112 PRO CG C 27.322 0.020 1 1254 112 112 PRO CD C 50.400 0.156 1 1255 113 113 TRP H H 8.671 0.006 1 1256 113 113 TRP HA H 4.650 0.018 1 1257 113 113 TRP HB2 H 2.906 0.035 2 1258 113 113 TRP HB3 H 3.317 0.029 2 1259 113 113 TRP HD1 H 6.740 0.025 1 1260 113 113 TRP HE1 H 10.348 0.012 1 1261 113 113 TRP HE3 H 7.413 0.015 1 1262 113 113 TRP HZ2 H 7.129 0.030 1 1263 113 113 TRP HZ3 H 6.997 0.019 1 1264 113 113 TRP HH2 H 7.046 0.031 1 1265 113 113 TRP C C 174.604 0.000 1 1266 113 113 TRP CA C 58.154 0.053 1 1267 113 113 TRP CB C 27.048 0.100 1 1268 113 113 TRP CD1 C 124.189 0.068 1 1269 113 113 TRP CE3 C 120.434 0.000 1 1270 113 113 TRP CZ2 C 114.852 0.088 1 1271 113 113 TRP CZ3 C 121.624 0.000 1 1272 113 113 TRP CH2 C 123.884 0.000 1 1273 113 113 TRP N N 123.139 0.059 1 1274 113 113 TRP NE1 N 131.204 0.047 1 1275 114 114 ASP H H 6.950 0.012 1 1276 114 114 ASP HA H 4.930 0.015 1 1277 114 114 ASP HB2 H 2.562 0.020 2 1278 114 114 ASP HB3 H 3.167 0.037 2 1279 114 114 ASP C C 176.979 0.000 1 1280 114 114 ASP CA C 52.223 0.180 1 1281 114 114 ASP CB C 43.192 0.109 1 1282 114 114 ASP N N 121.440 0.030 1 1283 115 115 VAL H H 8.181 0.021 1 1284 115 115 VAL HA H 3.825 0.009 1 1285 115 115 VAL HB H 2.118 0.010 1 1286 115 115 VAL HG1 H 0.965 0.007 2 1287 115 115 VAL HG2 H 1.045 0.009 2 1288 115 115 VAL C C 177.760 0.000 1 1289 115 115 VAL CA C 65.611 0.077 1 1290 115 115 VAL CB C 31.657 0.067 1 1291 115 115 VAL CG1 C 20.808 0.068 2 1292 115 115 VAL CG2 C 21.995 0.029 2 1293 115 115 VAL N N 118.386 0.075 1 1294 116 116 MET H H 7.661 0.023 1 1295 116 116 MET HA H 4.284 0.023 1 1296 116 116 MET HB2 H 2.055 0.014 2 1297 116 116 MET HB3 H 2.177 0.031 2 1298 116 116 MET HG2 H 2.535 0.016 2 1299 116 116 MET HG3 H 2.603 0.021 2 1300 116 116 MET HE H 1.930 0.005 1 1301 116 116 MET C C 179.336 0.000 1 1302 116 116 MET CA C 57.392 0.103 1 1303 116 116 MET CB C 30.450 0.029 1 1304 116 116 MET CG C 32.981 0.083 1 1305 116 116 MET N N 120.354 0.070 1 1306 117 117 LEU H H 8.179 0.011 1 1307 117 117 LEU HA H 4.129 0.013 1 1308 117 117 LEU HB2 H 1.651 0.016 2 1309 117 117 LEU HB3 H 2.227 0.021 2 1310 117 117 LEU HG H 1.447 0.015 1 1311 117 117 LEU HD1 H 0.835 0.010 2 1312 117 117 LEU HD2 H 1.101 0.017 2 1313 117 117 LEU C C 178.399 0.000 1 1314 117 117 LEU CA C 58.353 0.055 1 1315 117 117 LEU CB C 40.392 0.061 1 1316 117 117 LEU CD1 C 22.874 0.042 2 1317 117 117 LEU CD2 C 27.338 0.055 2 1318 117 117 LEU N N 125.774 0.194 1 1319 118 118 LYS H H 7.359 0.013 1 1320 118 118 LYS HA H 3.824 0.012 1 1321 118 118 LYS HB2 H 2.067 0.027 2 1322 118 118 LYS HB3 H 2.067 0.027 2 1323 118 118 LYS HG2 H 1.434 0.043 2 1324 118 118 LYS HG3 H 1.434 0.043 2 1325 118 118 LYS HD2 H 1.731 0.032 2 1326 118 118 LYS HD3 H 1.731 0.032 2 1327 118 118 LYS HE2 H 2.890 0.036 2 1328 118 118 LYS HE3 H 2.890 0.036 2 1329 118 118 LYS C C 178.259 0.000 1 1330 118 118 LYS CA C 60.497 0.060 1 1331 118 118 LYS CB C 32.355 0.048 1 1332 118 118 LYS CG C 25.572 0.208 1 1333 118 118 LYS CD C 30.297 0.000 1 1334 118 118 LYS CE C 41.759 0.038 1 1335 118 118 LYS N N 118.471 0.099 1 1336 119 119 ARG H H 8.316 0.006 1 1337 119 119 ARG HA H 4.158 0.017 1 1338 119 119 ARG HB2 H 1.970 0.021 2 1339 119 119 ARG HB3 H 1.970 0.021 2 1340 119 119 ARG HG2 H 1.667 0.047 2 1341 119 119 ARG HG3 H 1.667 0.047 2 1342 119 119 ARG HD2 H 3.082 0.043 2 1343 119 119 ARG HD3 H 3.082 0.043 2 1344 119 119 ARG C C 180.132 0.000 1 1345 119 119 ARG CA C 59.535 0.059 1 1346 119 119 ARG CB C 29.994 0.065 1 1347 119 119 ARG CG C 27.676 0.008 1 1348 119 119 ARG CD C 43.532 0.043 1 1349 119 119 ARG N N 117.838 0.090 1 1350 120 120 SER H H 8.598 0.014 1 1351 120 120 SER HA H 4.374 0.027 1 1352 120 120 SER HB2 H 3.805 0.031 2 1353 120 120 SER HB3 H 3.805 0.031 2 1354 120 120 SER C C 176.034 0.000 1 1355 120 120 SER CA C 62.728 0.071 1 1356 120 120 SER CB C 63.050 0.273 1 1357 120 120 SER N N 117.258 0.466 1 1358 121 121 LEU H H 8.250 0.007 1 1359 121 121 LEU HA H 4.192 0.011 1 1360 121 121 LEU HB2 H 1.088 0.020 2 1361 121 121 LEU HB3 H 1.852 0.029 2 1362 121 121 LEU HG H 1.377 0.037 1 1363 121 121 LEU HD1 H 0.877 0.007 2 1364 121 121 LEU HD2 H 0.814 0.007 2 1365 121 121 LEU C C 179.621 0.000 1 1366 121 121 LEU CA C 58.894 0.100 1 1367 121 121 LEU CB C 41.188 0.083 1 1368 121 121 LEU CG C 27.259 0.015 1 1369 121 121 LEU CD1 C 22.169 0.068 2 1370 121 121 LEU CD2 C 26.246 0.031 2 1371 121 121 LEU N N 125.307 0.102 1 1372 122 122 TRP H H 7.873 0.030 1 1373 122 122 TRP HA H 4.368 0.013 1 1374 122 122 TRP HB2 H 3.136 0.035 2 1375 122 122 TRP HB3 H 3.380 0.021 2 1376 122 122 TRP HD1 H 7.160 0.033 1 1377 122 122 TRP HE1 H 10.349 0.033 1 1378 122 122 TRP HE3 H 7.437 0.046 1 1379 122 122 TRP HZ2 H 7.258 0.046 1 1380 122 122 TRP HZ3 H 7.112 0.046 1 1381 122 122 TRP HH2 H 7.146 0.065 1 1382 122 122 TRP C C 176.943 0.000 1 1383 122 122 TRP CA C 61.452 0.064 1 1384 122 122 TRP CB C 29.823 0.000 1 1385 122 122 TRP CD1 C 126.885 0.128 1 1386 122 122 TRP CE3 C 120.419 0.014 1 1387 122 122 TRP CZ2 C 113.957 0.266 1 1388 122 122 TRP CZ3 C 120.934 0.033 1 1389 122 122 TRP CH2 C 125.066 0.149 1 1390 122 122 TRP N N 120.444 0.074 1 1391 122 122 TRP NE1 N 129.163 0.052 1 1392 123 123 CYS H H 8.271 0.018 1 1393 123 123 CYS HA H 4.264 0.015 1 1394 123 123 CYS HB2 H 3.229 0.034 2 1395 123 123 CYS HB3 H 3.363 0.030 2 1396 123 123 CYS C C 176.875 0.000 1 1397 123 123 CYS CA C 60.573 0.080 1 1398 123 123 CYS CB C 25.642 0.363 1 1399 123 123 CYS N N 120.188 0.032 1 1400 124 124 CYS H H 8.208 0.025 1 1401 124 124 CYS HA H 3.880 0.015 1 1402 124 124 CYS HB2 H 2.617 0.025 2 1403 124 124 CYS HB3 H 2.717 0.022 2 1404 124 124 CYS C C 175.810 0.000 1 1405 124 124 CYS CA C 65.646 0.028 1 1406 124 124 CYS CB C 28.069 0.065 1 1407 124 124 CYS N N 116.760 0.117 1 1408 125 125 ILE H H 8.073 0.019 1 1409 125 125 ILE HA H 3.580 0.012 1 1410 125 125 ILE HB H 2.288 0.012 1 1411 125 125 ILE HG12 H 0.814 0.015 2 1412 125 125 ILE HG13 H 1.856 0.013 2 1413 125 125 ILE HG2 H 0.920 0.009 1 1414 125 125 ILE HD1 H 0.218 0.021 1 1415 125 125 ILE C C 179.302 0.000 1 1416 125 125 ILE CA C 67.663 0.050 1 1417 125 125 ILE CB C 37.988 0.102 1 1418 125 125 ILE CG1 C 31.034 0.074 1 1419 125 125 ILE CG2 C 16.354 0.072 1 1420 125 125 ILE CD1 C 15.320 0.052 1 1421 125 125 ILE N N 121.167 0.052 1 1422 126 126 ASP H H 8.778 0.015 1 1423 126 126 ASP HA H 4.622 0.021 1 1424 126 126 ASP HB2 H 2.385 0.037 2 1425 126 126 ASP HB3 H 2.385 0.037 2 1426 126 126 ASP C C 178.091 0.000 1 1427 126 126 ASP CA C 58.885 0.103 1 1428 126 126 ASP CB C 40.408 0.097 1 1429 126 126 ASP N N 124.812 0.239 1 1430 127 127 LEU H H 8.888 0.069 1 1431 127 127 LEU HA H 3.841 0.018 1 1432 127 127 LEU HB2 H 1.799 0.017 2 1433 127 127 LEU HB3 H 1.799 0.017 2 1434 127 127 LEU HG H 1.487 0.032 1 1435 127 127 LEU HD1 H 0.659 0.008 2 1436 127 127 LEU HD2 H 1.036 0.025 2 1437 127 127 LEU C C 179.582 0.000 1 1438 127 127 LEU CA C 58.632 0.119 1 1439 127 127 LEU CB C 42.680 0.199 1 1440 127 127 LEU CG C 28.179 0.012 1 1441 127 127 LEU CD1 C 23.803 0.081 2 1442 127 127 LEU CD2 C 26.364 0.024 2 1443 127 127 LEU N N 122.531 0.067 1 1444 128 128 PHE H H 8.956 0.010 1 1445 128 128 PHE HA H 4.356 0.011 1 1446 128 128 PHE HB2 H 2.806 0.029 2 1447 128 128 PHE HB3 H 2.806 0.029 2 1448 128 128 PHE HD1 H 6.883 0.034 3 1449 128 128 PHE HD2 H 6.883 0.034 3 1450 128 128 PHE HE1 H 6.628 0.036 3 1451 128 128 PHE HE2 H 6.628 0.036 3 1452 128 128 PHE HZ H 7.139 0.022 1 1453 128 128 PHE C C 178.514 0.000 1 1454 128 128 PHE CA C 61.207 0.127 1 1455 128 128 PHE CB C 39.088 0.093 1 1456 128 128 PHE CD1 C 132.770 0.042 3 1457 128 128 PHE CD2 C 132.770 0.042 3 1458 128 128 PHE CE1 C 131.561 0.000 3 1459 128 128 PHE CE2 C 131.561 0.000 3 1460 128 128 PHE CZ C 132.282 0.000 1 1461 128 128 PHE N N 117.440 0.052 1 1462 129 129 SER H H 8.454 0.019 1 1463 129 129 SER HA H 4.047 0.020 1 1464 129 129 SER HB2 H 3.813 0.030 2 1465 129 129 SER HB3 H 3.813 0.030 2 1466 129 129 SER C C 179.308 0.000 1 1467 129 129 SER CA C 62.985 0.178 1 1468 129 129 SER N N 115.372 0.042 1 1469 130 130 CYS H H 8.217 0.022 1 1470 130 130 CYS HA H 4.173 0.009 1 1471 130 130 CYS HB2 H 2.569 0.064 2 1472 130 130 CYS HB3 H 3.256 0.012 2 1473 130 130 CYS C C 179.605 0.000 1 1474 130 130 CYS CA C 61.367 0.075 1 1475 130 130 CYS CB C 26.680 0.000 1 1476 130 130 CYS N N 125.612 0.043 1 1477 131 131 ILE H H 7.894 0.017 1 1478 131 131 ILE HA H 4.046 0.015 1 1479 131 131 ILE HB H 1.984 0.017 1 1480 131 131 ILE HG12 H 1.806 0.004 2 1481 131 131 ILE HG13 H 1.873 0.011 2 1482 131 131 ILE HG2 H 0.904 0.013 1 1483 131 131 ILE HD1 H 0.752 0.017 1 1484 131 131 ILE C C 177.358 0.000 1 1485 131 131 ILE CA C 64.617 0.098 1 1486 131 131 ILE CB C 39.044 0.105 1 1487 131 131 ILE CG1 C 29.717 0.000 1 1488 131 131 ILE CG2 C 17.393 0.106 1 1489 131 131 ILE CD1 C 14.214 0.727 1 1490 131 131 ILE N N 120.290 0.030 1 1491 132 132 LEU H H 7.863 0.008 1 1492 132 132 LEU HA H 3.805 0.015 1 1493 132 132 LEU HB2 H 1.741 0.017 2 1494 132 132 LEU HB3 H 1.741 0.017 2 1495 132 132 LEU HG H 1.452 0.018 1 1496 132 132 LEU HD1 H 0.965 0.008 2 1497 132 132 LEU HD2 H 0.769 0.008 2 1498 132 132 LEU C C 177.199 0.000 1 1499 132 132 LEU CA C 57.151 0.105 1 1500 132 132 LEU CB C 42.523 0.057 1 1501 132 132 LEU CD1 C 24.706 0.057 2 1502 132 132 LEU CD2 C 26.258 0.099 2 1503 132 132 LEU N N 116.603 0.079 1 1504 133 133 HIS H H 7.816 0.007 1 1505 133 133 HIS HA H 4.158 0.013 1 1506 133 133 HIS HB2 H 3.030 0.008 2 1507 133 133 HIS HB3 H 3.030 0.008 2 1508 133 133 HIS HD2 H 6.699 0.027 1 1509 133 133 HIS HE1 H 7.805 0.015 1 1510 133 133 HIS C C 178.258 0.000 1 1511 133 133 HIS CA C 59.702 0.090 1 1512 133 133 HIS CB C 32.594 0.083 1 1513 133 133 HIS CD2 C 120.524 0.000 1 1514 133 133 HIS CE1 C 138.315 0.054 1 1515 133 133 HIS N N 116.971 0.045 1 1516 134 134 LEU H H 8.593 0.007 1 1517 134 134 LEU HA H 3.730 0.010 1 1518 134 134 LEU HB2 H 1.601 0.014 2 1519 134 134 LEU HB3 H 1.601 0.014 2 1520 134 134 LEU HG H 0.860 0.003 1 1521 134 134 LEU HD1 H 0.641 0.016 2 1522 134 134 LEU HD2 H 0.563 0.009 2 1523 134 134 LEU C C 179.500 0.000 1 1524 134 134 LEU CA C 57.245 0.063 1 1525 134 134 LEU CB C 40.158 0.057 1 1526 134 134 LEU CD1 C 21.767 0.035 2 1527 134 134 LEU CD2 C 27.507 0.058 2 1528 134 134 LEU N N 117.079 0.083 1 1529 135 135 TRP H H 7.727 0.010 1 1530 135 135 TRP HA H 4.991 0.015 1 1531 135 135 TRP HB2 H 3.002 0.046 2 1532 135 135 TRP HB3 H 3.519 0.025 2 1533 135 135 TRP HD1 H 7.248 0.025 1 1534 135 135 TRP HE1 H 10.092 0.058 1 1535 135 135 TRP HE3 H 7.728 0.024 1 1536 135 135 TRP HZ2 H 6.744 0.023 1 1537 135 135 TRP HZ3 H 7.128 0.030 1 1538 135 135 TRP HH2 H 7.268 0.040 1 1539 135 135 TRP C C 175.170 0.000 1 1540 135 135 TRP CA C 59.426 0.068 1 1541 135 135 TRP CB C 26.894 0.079 1 1542 135 135 TRP CD1 C 125.880 0.054 1 1543 135 135 TRP CE3 C 120.456 0.052 1 1544 135 135 TRP CZ2 C 114.989 0.067 1 1545 135 135 TRP CZ3 C 121.850 0.108 1 1546 135 135 TRP CH2 C 124.538 0.000 1 1547 135 135 TRP N N 115.550 0.038 1 1548 135 135 TRP NE1 N 130.711 0.021 1 1549 136 136 LYS H H 6.580 0.005 1 1550 136 136 LYS HA H 3.830 0.007 1 1551 136 136 LYS HB2 H 1.760 0.006 2 1552 136 136 LYS HB3 H 2.139 0.010 2 1553 136 136 LYS HG2 H 1.250 0.025 2 1554 136 136 LYS HG3 H 1.365 0.013 2 1555 136 136 LYS HD2 H 1.751 0.001 2 1556 136 136 LYS HD3 H 1.751 0.001 2 1557 136 136 LYS HE2 H 2.909 0.026 2 1558 136 136 LYS HE3 H 2.909 0.026 2 1559 136 136 LYS C C 178.330 0.000 1 1560 136 136 LYS CA C 60.194 0.077 1 1561 136 136 LYS CB C 32.902 0.073 1 1562 136 136 LYS CG C 23.502 0.026 1 1563 136 136 LYS CD C 29.392 0.371 1 1564 136 136 LYS CE C 41.858 0.198 1 1565 136 136 LYS N N 119.841 0.040 1 1566 137 137 GLU H H 8.549 0.005 1 1567 137 137 GLU HA H 4.177 0.005 1 1568 137 137 GLU HB2 H 1.820 0.015 2 1569 137 137 GLU HB3 H 1.820 0.015 2 1570 137 137 GLU HG2 H 2.172 0.007 2 1571 137 137 GLU HG3 H 2.172 0.007 2 1572 137 137 GLU C C 176.698 0.000 1 1573 137 137 GLU CA C 57.766 0.030 1 1574 137 137 GLU CB C 29.221 0.043 1 1575 137 137 GLU CG C 36.525 0.026 1 1576 137 137 GLU N N 115.250 0.025 1 1577 138 138 ASN H H 8.337 0.017 1 1578 138 138 ASN HA H 4.943 0.010 1 1579 138 138 ASN HB2 H 2.548 0.017 2 1580 138 138 ASN HB3 H 3.069 0.017 2 1581 138 138 ASN HD21 H 7.654 0.007 2 1582 138 138 ASN HD22 H 6.907 0.005 2 1583 138 138 ASN C C 173.448 0.000 1 1584 138 138 ASN CA C 52.681 0.104 1 1585 138 138 ASN CB C 40.833 0.051 1 1586 138 138 ASN N N 116.578 0.025 1 1587 138 138 ASN ND2 N 111.990 0.051 1 1588 139 139 ILE H H 7.138 0.016 1 1589 139 139 ILE HA H 4.339 0.007 1 1590 139 139 ILE HB H 1.533 0.006 1 1591 139 139 ILE HG12 H 1.712 0.012 2 1592 139 139 ILE HG13 H 1.712 0.012 2 1593 139 139 ILE HG2 H 0.844 0.009 1 1594 139 139 ILE HD1 H 0.656 0.009 1 1595 139 139 ILE C C 175.219 0.000 1 1596 139 139 ILE CA C 60.867 0.068 1 1597 139 139 ILE CB C 40.270 0.066 1 1598 139 139 ILE CG1 C 27.596 0.067 1 1599 139 139 ILE CG2 C 18.262 0.053 1 1600 139 139 ILE CD1 C 14.873 0.047 1 1601 139 139 ILE N N 120.835 0.069 1 1602 140 140 SER H H 8.714 0.008 1 1603 140 140 SER HA H 4.324 0.011 1 1604 140 140 SER HB2 H 4.035 0.021 2 1605 140 140 SER HB3 H 4.035 0.021 2 1606 140 140 SER CA C 58.029 0.074 1 1607 140 140 SER CB C 65.156 0.065 1 1608 140 140 SER N N 123.319 0.043 1 1609 141 141 GLU HA H 4.345 0.031 1 1610 141 141 GLU HB2 H 2.111 0.000 2 1611 141 141 GLU HB3 H 2.111 0.000 2 1612 141 141 GLU C C 178.841 0.000 1 1613 141 141 GLU CA C 60.566 0.096 1 1614 142 142 THR H H 8.265 0.003 1 1615 142 142 THR HA H 3.988 0.010 1 1616 142 142 THR HB H 4.039 0.012 1 1617 142 142 THR HG1 H 5.656 0.000 1 1618 142 142 THR HG2 H 1.185 0.011 1 1619 142 142 THR C C 177.664 0.000 1 1620 142 142 THR CA C 65.792 0.144 1 1621 142 142 THR CB C 68.329 0.285 1 1622 142 142 THR CG2 C 21.772 0.084 1 1623 142 142 THR N N 113.590 0.049 1 1624 143 143 SER H H 7.889 0.004 1 1625 143 143 SER HA H 4.335 0.017 1 1626 143 143 SER HB2 H 3.918 0.013 2 1627 143 143 SER HB3 H 3.918 0.013 2 1628 143 143 SER C C 175.879 0.000 1 1629 143 143 SER CA C 62.140 0.034 1 1630 143 143 SER CB C 63.201 0.000 1 1631 143 143 SER N N 120.935 0.062 1 1632 144 144 THR H H 8.802 0.008 1 1633 144 144 THR HA H 3.592 0.017 1 1634 144 144 THR HB H 4.289 0.032 1 1635 144 144 THR HG1 H 5.827 0.000 1 1636 144 144 THR HG2 H 1.070 0.015 1 1637 144 144 THR C C 175.799 0.000 1 1638 144 144 THR CA C 67.700 0.130 1 1639 144 144 THR CB C 69.069 0.000 1 1640 144 144 THR CG2 C 20.674 0.030 1 1641 144 144 THR N N 121.291 0.059 1 1642 145 145 ASN H H 7.942 0.005 1 1643 145 145 ASN HA H 4.344 0.015 1 1644 145 145 ASN HB2 H 2.780 0.020 2 1645 145 145 ASN HB3 H 2.780 0.020 2 1646 145 145 ASN HD21 H 7.014 0.005 2 1647 145 145 ASN HD22 H 7.603 0.003 2 1648 145 145 ASN C C 177.836 0.000 1 1649 145 145 ASN CA C 56.416 0.119 1 1650 145 145 ASN CB C 38.094 0.065 1 1651 145 145 ASN N N 120.336 0.056 1 1652 145 145 ASN ND2 N 112.488 0.054 1 1653 146 146 SER H H 7.865 0.008 1 1654 146 146 SER HA H 4.029 0.016 1 1655 146 146 SER HB2 H 3.958 0.011 2 1656 146 146 SER HB3 H 3.958 0.011 2 1657 146 146 SER C C 176.992 0.000 1 1658 146 146 SER CA C 62.053 0.186 1 1659 146 146 SER CB C 62.490 0.018 1 1660 146 146 SER N N 116.106 0.012 1 1661 147 147 LEU H H 8.104 0.007 1 1662 147 147 LEU HA H 3.471 0.020 1 1663 147 147 LEU HB2 H 1.034 0.024 2 1664 147 147 LEU HB3 H 1.942 0.035 2 1665 147 147 LEU HG H 1.766 0.024 1 1666 147 147 LEU HD1 H 0.821 0.010 2 1667 147 147 LEU HD2 H 0.706 0.015 2 1668 147 147 LEU C C 178.561 0.000 1 1669 147 147 LEU CA C 58.384 0.108 1 1670 147 147 LEU CB C 41.801 0.145 1 1671 147 147 LEU CG C 27.700 0.163 1 1672 147 147 LEU CD1 C 25.512 0.096 2 1673 147 147 LEU CD2 C 24.108 0.063 2 1674 147 147 LEU N N 122.988 0.039 1 1675 148 148 GLN H H 8.394 0.021 1 1676 148 148 GLN HA H 3.796 0.015 1 1677 148 148 GLN HB2 H 2.170 0.016 2 1678 148 148 GLN HB3 H 2.170 0.016 2 1679 148 148 GLN HG2 H 2.245 0.035 2 1680 148 148 GLN HG3 H 2.520 0.010 2 1681 148 148 GLN HE21 H 7.132 0.072 2 1682 148 148 GLN HE22 H 6.672 0.014 2 1683 148 148 GLN C C 179.665 0.000 1 1684 148 148 GLN CA C 59.301 0.089 1 1685 148 148 GLN CB C 27.744 0.050 1 1686 148 148 GLN CG C 33.930 0.081 1 1687 148 148 GLN N N 118.470 0.034 1 1688 148 148 GLN NE2 N 110.402 0.040 1 1689 149 149 LYS H H 7.828 0.016 1 1690 149 149 LYS HA H 3.776 0.019 1 1691 149 149 LYS HB2 H 1.742 0.016 2 1692 149 149 LYS HB3 H 1.742 0.016 2 1693 149 149 LYS HG2 H 1.244 0.040 2 1694 149 149 LYS HG3 H 1.415 0.008 2 1695 149 149 LYS HD2 H 1.588 0.037 2 1696 149 149 LYS HD3 H 1.588 0.037 2 1697 149 149 LYS HE2 H 2.842 0.017 2 1698 149 149 LYS HE3 H 2.842 0.017 2 1699 149 149 LYS CA C 59.573 0.111 1 1700 149 149 LYS CB C 32.048 0.055 1 1701 149 149 LYS CG C 25.242 0.038 1 1702 149 149 LYS CD C 29.528 0.011 1 1703 149 149 LYS CE C 42.242 0.091 1 1704 149 149 LYS N N 121.079 0.053 1 1705 150 150 ARG H H 6.918 0.014 1 1706 150 150 ARG HA H 4.022 0.023 1 1707 150 150 ARG HB2 H 1.740 0.028 2 1708 150 150 ARG HB3 H 1.740 0.028 2 1709 150 150 ARG HG2 H 1.598 0.012 2 1710 150 150 ARG HG3 H 1.598 0.012 2 1711 150 150 ARG HD2 H 2.920 0.091 2 1712 150 150 ARG HD3 H 2.920 0.091 2 1713 150 150 ARG C C 178.850 0.000 1 1714 150 150 ARG CA C 59.249 0.077 1 1715 150 150 ARG CB C 28.936 0.269 1 1716 150 150 ARG CG C 27.200 0.078 1 1717 150 150 ARG N N 118.275 0.048 1 1718 151 151 ILE H H 7.339 1.070 1 1719 151 151 ILE HA H 3.337 0.014 1 1720 151 151 ILE HB H 1.765 0.018 1 1721 151 151 ILE HG12 H 1.382 0.027 2 1722 151 151 ILE HG13 H 1.145 0.021 2 1723 151 151 ILE HG2 H 0.849 0.008 1 1724 151 151 ILE HD1 H 0.744 0.009 1 1725 151 151 ILE C C 176.972 0.000 1 1726 151 151 ILE CA C 66.992 0.082 1 1727 151 151 ILE CB C 38.409 0.083 1 1728 151 151 ILE CG1 C 31.491 0.000 1 1729 151 151 ILE CG2 C 17.898 0.060 1 1730 151 151 ILE CD1 C 14.640 0.024 1 1731 151 151 ILE N N 119.938 0.092 1 1732 152 152 LYS H H 7.556 0.010 1 1733 152 152 LYS HA H 3.722 0.028 1 1734 152 152 LYS HB2 H 1.760 0.016 2 1735 152 152 LYS HB3 H 1.760 0.016 2 1736 152 152 LYS HG2 H 1.394 0.002 2 1737 152 152 LYS HG3 H 1.394 0.002 2 1738 152 152 LYS HD2 H 1.576 0.020 2 1739 152 152 LYS HD3 H 1.576 0.020 2 1740 152 152 LYS HE2 H 2.844 0.000 2 1741 152 152 LYS HE3 H 2.844 0.000 2 1742 152 152 LYS C C 178.692 0.000 1 1743 152 152 LYS CA C 60.787 0.093 1 1744 152 152 LYS CB C 31.985 0.000 1 1745 152 152 LYS CG C 25.740 0.000 1 1746 152 152 LYS CD C 29.642 0.122 1 1747 152 152 LYS CE C 42.000 0.000 1 1748 152 152 LYS N N 120.529 0.033 1 1749 153 153 TYR H H 8.622 0.016 1 1750 153 153 TYR HA H 4.047 0.026 1 1751 153 153 TYR HB2 H 3.032 0.010 2 1752 153 153 TYR HB3 H 3.409 0.010 2 1753 153 153 TYR HD1 H 6.917 0.017 3 1754 153 153 TYR HD2 H 6.917 0.017 3 1755 153 153 TYR HE1 H 6.640 0.030 3 1756 153 153 TYR HE2 H 6.640 0.030 3 1757 153 153 TYR C C 178.276 0.000 1 1758 153 153 TYR CA C 62.538 0.151 1 1759 153 153 TYR CB C 37.249 0.114 1 1760 153 153 TYR CE1 C 118.070 0.026 3 1761 153 153 TYR N N 118.819 0.031 1 1762 154 154 CYS H H 8.195 0.012 1 1763 154 154 CYS HA H 4.079 0.018 1 1764 154 154 CYS HB2 H 2.275 0.017 2 1765 154 154 CYS HB3 H 3.356 0.031 2 1766 154 154 CYS C C 176.638 0.000 1 1767 154 154 CYS CA C 65.967 0.123 1 1768 154 154 CYS N N 116.613 0.032 1 1769 155 155 LYS H H 7.819 0.019 1 1770 155 155 LYS HA H 3.592 0.022 1 1771 155 155 LYS HB2 H 1.821 0.031 2 1772 155 155 LYS HB3 H 1.821 0.031 2 1773 155 155 LYS HG2 H 1.445 0.013 2 1774 155 155 LYS HG3 H 1.445 0.013 2 1775 155 155 LYS HD2 H 1.603 0.014 2 1776 155 155 LYS HD3 H 1.603 0.014 2 1777 155 155 LYS HE2 H 2.753 0.023 2 1778 155 155 LYS HE3 H 2.753 0.023 2 1779 155 155 LYS C C 180.018 0.000 1 1780 155 155 LYS CA C 60.538 0.062 1 1781 155 155 LYS CB C 31.993 0.038 1 1782 155 155 LYS N N 118.011 0.054 1 1783 156 156 ILE H H 8.663 0.010 1 1784 156 156 ILE HA H 3.366 0.028 1 1785 156 156 ILE HB H 1.682 0.019 1 1786 156 156 ILE HG12 H 0.840 0.016 2 1787 156 156 ILE HG13 H 0.840 0.016 2 1788 156 156 ILE HG2 H 0.431 0.026 1 1789 156 156 ILE HD1 H 0.555 0.016 1 1790 156 156 ILE C C 179.164 0.000 1 1791 156 156 ILE CA C 65.206 0.080 1 1792 156 156 ILE CB C 37.934 0.077 1 1793 156 156 ILE CG1 C 29.665 0.073 1 1794 156 156 ILE CG2 C 16.451 0.096 1 1795 156 156 ILE CD1 C 14.809 0.090 1 1796 156 156 ILE N N 121.133 0.043 1 1797 157 157 TYR H H 8.623 0.008 1 1798 157 157 TYR HA H 4.141 0.025 1 1799 157 157 TYR HB2 H 2.802 0.033 2 1800 157 157 TYR HB3 H 2.802 0.033 2 1801 157 157 TYR HD1 H 6.908 0.029 3 1802 157 157 TYR HD2 H 6.908 0.029 3 1803 157 157 TYR HE1 H 6.567 0.030 3 1804 157 157 TYR HE2 H 6.567 0.030 3 1805 157 157 TYR C C 178.159 0.000 1 1806 157 157 TYR CA C 62.728 0.121 1 1807 157 157 TYR CB C 37.744 0.145 1 1808 157 157 TYR CE1 C 118.061 0.120 3 1809 157 157 TYR CE2 C 118.061 0.120 3 1810 157 157 TYR N N 119.541 0.035 1 1811 158 158 LEU H H 8.415 0.018 1 1812 158 158 LEU HA H 3.930 0.014 1 1813 158 158 LEU HB2 H 1.081 0.024 2 1814 158 158 LEU HB3 H 1.803 0.019 2 1815 158 158 LEU HG H 1.395 0.050 1 1816 158 158 LEU HD1 H 0.693 0.026 2 1817 158 158 LEU HD2 H -0.350 0.014 2 1818 158 158 LEU C C 179.727 0.000 1 1819 158 158 LEU CA C 58.843 0.132 1 1820 158 158 LEU CB C 42.776 0.073 1 1821 158 158 LEU CG C 27.275 0.080 1 1822 158 158 LEU CD1 C 24.019 0.109 2 1823 158 158 LEU CD2 C 23.623 0.066 2 1824 158 158 LEU N N 122.643 0.085 1 1825 159 159 SER H H 8.012 0.021 1 1826 159 159 SER HA H 4.039 0.026 1 1827 159 159 SER HB2 H 4.013 0.024 2 1828 159 159 SER HB3 H 4.013 0.024 2 1829 159 159 SER C C 177.898 0.000 1 1830 159 159 SER CA C 61.487 0.052 1 1831 159 159 SER CB C 62.710 0.123 1 1832 159 159 SER N N 115.738 0.020 1 1833 160 160 LYS H H 8.306 0.008 1 1834 160 160 LYS HA H 4.132 0.027 1 1835 160 160 LYS HB2 H 1.983 0.025 2 1836 160 160 LYS HB3 H 1.983 0.025 2 1837 160 160 LYS HG2 H 1.449 0.024 2 1838 160 160 LYS HG3 H 1.449 0.024 2 1839 160 160 LYS HD2 H 1.605 0.010 2 1840 160 160 LYS HD3 H 1.605 0.010 2 1841 160 160 LYS HE2 H 2.806 0.028 2 1842 160 160 LYS HE3 H 2.806 0.028 2 1843 160 160 LYS CA C 59.543 0.027 1 1844 160 160 LYS CB C 29.639 0.000 1 1845 160 160 LYS CE C 42.009 0.000 1 1846 160 160 LYS N N 118.015 0.021 1 1847 161 161 LEU H H 8.608 0.026 1 1848 161 161 LEU HA H 4.146 0.014 1 1849 161 161 LEU HB2 H 1.764 0.017 2 1850 161 161 LEU HB3 H 1.764 0.017 2 1851 161 161 LEU HG H 1.440 0.015 1 1852 161 161 LEU HD1 H 0.830 0.009 2 1853 161 161 LEU HD2 H 0.906 0.011 2 1854 161 161 LEU C C 180.810 0.000 1 1855 161 161 LEU CA C 57.777 0.090 1 1856 161 161 LEU CB C 42.245 0.142 1 1857 161 161 LEU CD1 C 26.235 0.052 2 1858 161 161 LEU CD2 C 24.124 0.043 2 1859 162 162 ALA H H 8.134 0.008 1 1860 162 162 ALA HA H 4.096 0.017 1 1861 162 162 ALA HB H 1.574 0.018 1 1862 162 162 ALA C C 179.561 0.000 1 1863 162 162 ALA CA C 54.971 0.041 1 1864 162 162 ALA CB C 19.082 0.090 1 1865 162 162 ALA N N 123.634 0.037 1 1866 163 163 LYS H H 7.709 0.006 1 1867 163 163 LYS HA H 4.235 0.010 1 1868 163 163 LYS HB2 H 1.642 0.020 2 1869 163 163 LYS HB3 H 1.971 0.022 2 1870 163 163 LYS HG2 H 1.407 0.023 2 1871 163 163 LYS HG3 H 1.407 0.023 2 1872 163 163 LYS HD2 H 1.518 0.017 2 1873 163 163 LYS HD3 H 1.518 0.017 2 1874 163 163 LYS HE2 H 2.795 0.008 2 1875 163 163 LYS HE3 H 2.795 0.008 2 1876 163 163 LYS C C 176.866 0.000 1 1877 163 163 LYS CA C 56.705 0.096 1 1878 163 163 LYS CB C 33.643 0.133 1 1879 163 163 LYS CG C 25.601 0.110 1 1880 163 163 LYS CD C 29.290 0.062 1 1881 163 163 LYS CE C 41.702 0.168 1 1882 163 163 LYS N N 115.135 0.039 1 1883 164 164 GLY H H 7.713 0.011 1 1884 164 164 GLY HA2 H 3.821 0.003 2 1885 164 164 GLY HA3 H 4.007 0.006 2 1886 164 164 GLY C C 175.023 0.000 1 1887 164 164 GLY CA C 45.981 0.089 1 1888 164 164 GLY N N 108.439 0.041 1 1889 165 165 GLU H H 8.124 0.014 1 1890 165 165 GLU HA H 4.051 0.008 1 1891 165 165 GLU HB2 H 1.681 0.015 2 1892 165 165 GLU HB3 H 2.046 0.027 2 1893 165 165 GLU HG2 H 2.360 0.010 2 1894 165 165 GLU HG3 H 2.360 0.010 2 1895 165 165 GLU C C 175.966 0.000 1 1896 165 165 GLU CA C 57.038 0.095 1 1897 165 165 GLU CB C 30.681 0.089 1 1898 165 165 GLU CG C 36.950 0.059 1 1899 165 165 GLU N N 119.259 0.048 1 1900 166 166 ILE H H 7.039 0.008 1 1901 166 166 ILE HA H 3.849 0.011 1 1902 166 166 ILE HB H 1.160 0.010 1 1903 166 166 ILE HG12 H 0.825 0.007 2 1904 166 166 ILE HG13 H 1.203 0.008 2 1905 166 166 ILE HG2 H 0.421 0.015 1 1906 166 166 ILE HD1 H 0.832 0.015 1 1907 166 166 ILE C C 173.376 0.000 1 1908 166 166 ILE CA C 60.307 0.056 1 1909 166 166 ILE CB C 40.862 0.069 1 1910 166 166 ILE CG1 C 27.478 0.056 1 1911 166 166 ILE CG2 C 17.070 0.081 1 1912 166 166 ILE CD1 C 14.338 0.041 1 1913 166 166 ILE N N 117.562 0.050 1 1914 167 167 GLY H H 7.365 0.006 1 1915 167 167 GLY HA2 H 3.328 0.009 2 1916 167 167 GLY HA3 H 2.491 0.017 2 1917 167 167 GLY CA C 45.297 0.072 1 1918 167 167 GLY N N 119.412 0.034 1 stop_ save_ save_assigned_chem_shift_list_1_2 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC aliphatic' '2D 1H-13C HSQC aromatic' '3D CBCA(CO)NH' '3D HNCO' '3D HNCA' '3D HNCACB' '3D HN(CO)CA' '3D HCCH-TOCSY' '3D 1H-15N NOESY' '3D 1H-13C NOESY aliphatic' '3D 1H-13C NOESY aromatic' stop_ loop_ _Sample_label $sample_1 $sample_3 $sample_2 $sample_4 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name entity_2 _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 1 128 1 ILE HA H 3.938 0.015 1 2 128 1 ILE HB H 1.488 0.016 1 3 128 1 ILE HG12 H 1.095 0.012 2 4 128 1 ILE HG13 H 0.806 0.000 2 5 128 1 ILE HG2 H 0.569 0.008 1 6 128 1 ILE HD1 H 0.643 0.011 1 7 128 1 ILE H H 7.469 0.022 1 8 128 1 ILE C C 176.725 0.000 1 9 128 1 ILE CA C 60.922 0.094 1 10 128 1 ILE CB C 38.971 0.082 1 11 128 1 ILE CG1 C 26.806 0.081 1 12 128 1 ILE CG2 C 17.355 0.077 1 13 128 1 ILE CD1 C 13.247 0.079 1 14 128 1 ILE N N 121.311 0.065 1 15 129 2 ASN H H 8.173 0.018 1 16 129 2 ASN HA H 4.582 0.010 1 17 129 2 ASN HB2 H 2.647 0.023 2 18 129 2 ASN HB3 H 2.820 0.023 2 19 129 2 ASN HD21 H 7.675 0.006 2 20 129 2 ASN HD22 H 6.827 0.002 2 21 129 2 ASN C C 177.132 0.000 1 22 129 2 ASN CA C 52.982 0.079 1 23 129 2 ASN CB C 38.792 0.122 1 24 129 2 ASN N N 122.727 0.087 1 25 129 2 ASN ND2 N 113.274 0.026 1 26 130 3 ILE H H 8.096 0.009 1 27 130 3 ILE HA H 4.305 0.028 1 28 130 3 ILE HB H 1.923 0.034 1 29 130 3 ILE HG12 H 1.326 0.062 2 30 130 3 ILE HG13 H 1.108 0.015 2 31 130 3 ILE HG2 H 0.828 0.013 1 32 130 3 ILE HD1 H 0.749 0.008 1 33 130 3 ILE C C 175.796 0.053 1 34 130 3 ILE CA C 61.246 0.071 1 35 130 3 ILE CB C 38.797 0.081 1 36 130 3 ILE CG1 C 27.382 0.078 1 37 130 3 ILE CG2 C 18.316 0.048 1 38 130 3 ILE CD1 C 14.199 0.071 1 39 130 3 ILE N N 120.527 0.038 1 40 131 4 ASP H H 8.157 0.017 1 41 131 4 ASP HA H 4.416 0.011 1 42 131 4 ASP HB2 H 2.650 0.019 2 43 131 4 ASP HB3 H 2.650 0.019 2 44 131 4 ASP C C 176.750 0.052 1 45 131 4 ASP CA C 55.955 0.069 1 46 131 4 ASP CB C 41.117 0.066 1 47 131 4 ASP N N 122.165 0.113 1 48 132 5 LYS H H 8.023 0.017 1 49 132 5 LYS HA H 4.373 0.019 1 50 132 5 LYS HB2 H 1.800 0.019 2 51 132 5 LYS HB3 H 1.740 0.014 2 52 132 5 LYS HG2 H 1.374 0.007 2 53 132 5 LYS HG3 H 1.320 0.005 2 54 132 5 LYS HD2 H 1.615 0.008 2 55 132 5 LYS HD3 H 1.615 0.008 2 56 132 5 LYS HE2 H 2.879 0.008 2 57 132 5 LYS HE3 H 2.879 0.008 2 58 132 5 LYS C C 176.405 0.000 1 59 132 5 LYS CA C 55.699 0.128 1 60 132 5 LYS CB C 32.822 0.096 1 61 132 5 LYS CG C 24.789 0.066 1 62 132 5 LYS CD C 28.804 0.097 1 63 132 5 LYS CE C 41.868 0.110 1 64 132 5 LYS N N 119.537 0.028 1 65 133 6 LEU H H 8.024 0.015 1 66 133 6 LEU HB2 H 1.567 0.023 2 67 133 6 LEU HB3 H 1.567 0.023 2 68 133 6 LEU HD1 H 0.769 0.016 2 69 133 6 LEU HD2 H 0.819 0.014 2 70 133 6 LEU C C 178.449 0.000 1 71 133 6 LEU CA C 57.538 0.052 1 72 133 6 LEU CB C 41.572 0.000 1 73 133 6 LEU N N 120.242 0.056 1 74 134 7 GLN H H 8.536 0.016 1 75 134 7 GLN HA H 4.018 0.007 1 76 134 7 GLN HB2 H 2.044 0.020 2 77 134 7 GLN HB3 H 2.044 0.020 2 78 134 7 GLN HG2 H 2.284 0.022 2 79 134 7 GLN HG3 H 2.284 0.022 2 80 134 7 GLN HE21 H 7.186 0.006 2 81 134 7 GLN HE22 H 6.707 0.004 2 82 134 7 GLN CA C 58.175 0.000 1 83 134 7 GLN CB C 29.102 0.112 1 84 134 7 GLN CG C 34.264 0.043 1 85 134 7 GLN N N 117.985 0.071 1 86 134 7 GLN NE2 N 111.367 0.165 1 87 140 13 MET HB2 H 2.049 0.006 2 88 140 13 MET HB3 H 2.049 0.006 2 89 140 13 MET HG2 H 2.342 0.003 2 90 140 13 MET HG3 H 2.255 0.000 2 91 140 13 MET HE H 2.019 0.029 1 92 140 13 MET C C 177.931 0.000 1 93 140 13 MET CA C 58.511 0.065 1 94 140 13 MET CE C 17.223 0.000 1 95 141 14 LEU H H 8.333 0.006 1 96 141 14 LEU HA H 4.047 0.023 1 97 141 14 LEU HB2 H 2.008 0.007 2 98 141 14 LEU HB3 H 2.008 0.007 2 99 141 14 LEU HD1 H 0.758 0.018 2 100 141 14 LEU HD2 H 0.797 0.021 2 101 141 14 LEU C C 177.281 0.000 1 102 141 14 LEU CA C 58.362 0.030 1 103 141 14 LEU N N 120.610 0.058 1 104 142 15 ASP H H 8.199 0.004 1 105 142 15 ASP HA H 4.415 0.001 1 106 142 15 ASP HB2 H 2.665 0.022 2 107 142 15 ASP HB3 H 2.665 0.022 2 108 142 15 ASP C C 175.916 0.000 1 109 142 15 ASP CA C 54.678 0.179 1 110 142 15 ASP N N 121.268 0.091 1 111 143 16 LEU H H 7.858 0.006 1 112 143 16 LEU HA H 4.108 0.000 1 113 143 16 LEU HB2 H 2.024 0.025 2 114 143 16 LEU HB3 H 2.024 0.025 2 115 143 16 LEU HG H 1.563 0.066 1 116 143 16 LEU HD1 H 0.800 0.022 2 117 143 16 LEU HD2 H 0.858 0.021 2 118 143 16 LEU C C 176.205 0.000 1 119 143 16 LEU CA C 57.314 0.111 1 120 143 16 LEU CB C 39.700 0.000 1 121 143 16 LEU N N 120.218 0.044 1 122 144 17 ILE H H 7.948 0.014 1 123 144 17 ILE HA H 4.083 0.050 1 124 144 17 ILE HB H 1.790 0.018 1 125 144 17 ILE HG12 H 1.380 0.023 2 126 144 17 ILE HG13 H 1.070 0.037 2 127 144 17 ILE HG2 H 0.805 0.016 1 128 144 17 ILE HD1 H 0.786 0.019 1 129 144 17 ILE C C 177.130 0.045 1 130 144 17 ILE CA C 60.697 0.182 1 131 144 17 ILE CB C 38.565 0.118 1 132 144 17 ILE CG1 C 27.240 0.000 1 133 144 17 ILE CG2 C 17.385 0.118 1 134 144 17 ILE CD1 C 13.402 0.277 1 135 144 17 ILE N N 121.582 0.046 1 136 145 18 GLU H H 7.869 0.013 1 137 145 18 GLU HA H 4.049 0.007 1 138 145 18 GLU C C 179.664 0.041 1 139 145 18 GLU CA C 59.673 0.045 1 140 145 18 GLU CB C 29.521 0.000 1 141 145 18 GLU CG C 36.446 0.000 1 142 145 18 GLU N N 120.974 0.035 1 143 146 19 GLN H H 8.407 0.015 1 144 146 19 GLN HA H 4.034 0.019 1 145 146 19 GLN HB2 H 1.979 0.021 2 146 146 19 GLN HB3 H 1.979 0.021 2 147 146 19 GLN HG2 H 2.467 0.015 2 148 146 19 GLN HG3 H 2.230 0.020 2 149 146 19 GLN HE21 H 7.467 0.034 2 150 146 19 GLN HE22 H 6.751 0.022 2 151 146 19 GLN C C 178.820 0.024 1 152 146 19 GLN CA C 58.720 0.071 1 153 146 19 GLN CB C 29.312 0.124 1 154 146 19 GLN CG C 34.259 0.086 1 155 146 19 GLN N N 118.520 0.038 1 156 146 19 GLN NE2 N 112.963 0.025 1 157 147 20 GLY H H 8.059 0.013 1 158 147 20 GLY HA2 H 3.562 0.037 2 159 147 20 GLY HA3 H 3.694 0.000 2 160 147 20 GLY C C 175.794 0.008 1 161 147 20 GLY CA C 47.525 0.315 1 162 147 20 GLY N N 108.998 0.034 1 163 148 21 ASP H H 8.522 0.017 1 164 148 21 ASP HA H 4.342 0.015 1 165 148 21 ASP HB2 H 2.601 0.007 2 166 148 21 ASP HB3 H 2.812 0.005 2 167 148 21 ASP C C 175.607 0.025 1 168 148 21 ASP CA C 57.252 0.089 1 169 148 21 ASP CB C 39.918 0.000 1 170 148 21 ASP N N 124.022 0.044 1 171 149 22 GLU H H 7.768 0.011 1 172 149 22 GLU HA H 4.008 0.008 1 173 149 22 GLU HB2 H 2.062 0.005 2 174 149 22 GLU HB3 H 2.062 0.005 2 175 149 22 GLU C C 175.652 0.043 1 176 149 22 GLU CA C 59.394 0.066 1 177 149 22 GLU N N 121.333 0.059 1 178 150 23 LEU H H 8.113 0.005 1 179 150 23 LEU HA H 3.718 0.006 1 180 150 23 LEU HB2 H 1.869 0.011 2 181 150 23 LEU HB3 H 1.869 0.011 2 182 150 23 LEU HD1 H 0.497 0.012 2 183 150 23 LEU HD2 H 0.563 0.009 2 184 150 23 LEU C C 179.476 0.007 1 185 150 23 LEU CA C 57.656 0.090 1 186 150 23 LEU CD1 C 23.895 0.030 2 187 150 23 LEU CD2 C 24.841 0.039 2 188 150 23 LEU N N 120.820 0.035 1 189 151 24 GLN H H 8.282 0.011 1 190 151 24 GLN HA H 3.990 0.010 1 191 151 24 GLN HB2 H 2.030 0.010 2 192 151 24 GLN HB3 H 2.030 0.010 2 193 151 24 GLN HG2 H 2.332 0.002 2 194 151 24 GLN HG3 H 2.332 0.002 2 195 151 24 GLN HE21 H 7.718 0.001 2 196 151 24 GLN HE22 H 6.790 0.003 2 197 151 24 GLN C C 178.418 0.009 1 198 151 24 GLN CA C 58.570 0.013 1 199 151 24 GLN N N 118.698 0.047 1 200 151 24 GLN NE2 N 114.779 0.046 1 201 152 25 GLU H H 7.499 0.006 1 202 152 25 GLU HA H 4.035 0.022 1 203 152 25 GLU HB2 H 2.089 0.016 2 204 152 25 GLU HB3 H 2.089 0.016 2 205 152 25 GLU HG2 H 2.255 0.015 2 206 152 25 GLU HG3 H 2.348 0.007 2 207 152 25 GLU C C 178.916 0.070 1 208 152 25 GLU CA C 59.223 0.056 1 209 152 25 GLU CB C 29.322 0.000 1 210 152 25 GLU N N 120.750 0.037 1 211 153 26 VAL H H 7.763 0.011 1 212 153 26 VAL HA H 3.695 0.011 1 213 153 26 VAL HB H 2.073 0.011 1 214 153 26 VAL HG1 H 0.860 0.014 2 215 153 26 VAL HG2 H 0.999 0.009 2 216 153 26 VAL C C 178.846 0.025 1 217 153 26 VAL CA C 65.832 0.116 1 218 153 26 VAL CB C 31.921 0.133 1 219 153 26 VAL CG1 C 21.154 0.056 2 220 153 26 VAL CG2 C 22.384 0.044 2 221 153 26 VAL N N 120.317 0.060 1 222 154 27 LEU H H 7.731 0.023 1 223 154 27 LEU HA H 3.917 0.031 1 224 154 27 LEU HB2 H 1.470 0.011 2 225 154 27 LEU HB3 H 1.470 0.011 2 226 154 27 LEU HG H 1.662 0.016 1 227 154 27 LEU HD1 H 0.505 0.011 2 228 154 27 LEU HD2 H 0.558 0.010 2 229 154 27 LEU C C 178.836 0.006 1 230 154 27 LEU CA C 57.439 0.079 1 231 154 27 LEU CB C 41.797 0.066 1 232 154 27 LEU CG C 27.213 0.000 1 233 154 27 LEU CD1 C 23.686 0.067 2 234 154 27 LEU CD2 C 25.542 0.033 2 235 154 27 LEU N N 121.374 0.056 1 236 155 28 ALA H H 7.896 0.017 1 237 155 28 ALA HA H 4.145 0.025 1 238 155 28 ALA HB H 1.453 0.015 1 239 155 28 ALA C C 179.502 0.002 1 240 155 28 ALA CA C 54.175 0.018 1 241 155 28 ALA CB C 18.499 0.203 1 242 155 28 ALA N N 121.695 0.065 1 243 156 29 MET H H 7.778 0.020 1 244 156 29 MET HA H 4.228 0.011 1 245 156 29 MET HB2 H 2.086 0.013 2 246 156 29 MET HB3 H 2.086 0.013 2 247 156 29 MET HG2 H 2.639 0.015 2 248 156 29 MET HG3 H 2.553 0.005 2 249 156 29 MET HE H 1.994 0.005 1 250 156 29 MET C C 177.366 0.000 1 251 156 29 MET CA C 57.306 0.103 1 252 156 29 MET CB C 32.373 0.266 1 253 156 29 MET CG C 32.007 0.043 1 254 156 29 MET CE C 17.041 0.000 1 255 156 29 MET N N 117.652 0.063 1 256 157 30 ASN H H 8.009 0.006 1 257 157 30 ASN HA H 4.588 0.014 1 258 157 30 ASN HB2 H 2.689 0.019 2 259 157 30 ASN HB3 H 2.835 0.002 2 260 157 30 ASN HD21 H 7.626 0.005 2 261 157 30 ASN HD22 H 6.958 0.015 2 262 157 30 ASN C C 175.211 0.000 1 263 157 30 ASN CA C 54.068 0.038 1 264 157 30 ASN CB C 39.125 0.108 1 265 157 30 ASN N N 117.853 0.066 1 266 157 30 ASN ND2 N 113.293 0.037 1 267 158 31 ASN H H 7.951 0.011 1 268 158 31 ASN HA H 4.612 0.009 1 269 158 31 ASN HB2 H 2.727 0.012 2 270 158 31 ASN HB3 H 2.727 0.012 2 271 158 31 ASN HD21 H 7.550 0.008 2 272 158 31 ASN HD22 H 7.032 0.015 2 273 158 31 ASN C C 174.669 0.000 1 274 158 31 ASN CA C 53.554 0.093 1 275 158 31 ASN CB C 39.343 0.050 1 276 158 31 ASN N N 117.684 0.040 1 277 158 31 ASN ND2 N 113.775 0.055 1 278 159 32 ASN H H 8.319 0.006 1 279 159 32 ASN HA H 4.583 0.020 1 280 159 32 ASN HB2 H 2.711 0.015 2 281 159 32 ASN HB3 H 2.843 0.008 2 282 159 32 ASN HD21 H 7.563 0.010 2 283 159 32 ASN HD22 H 6.827 0.003 2 284 159 32 ASN C C 175.563 0.000 1 285 159 32 ASN CA C 53.901 0.064 1 286 159 32 ASN CB C 38.425 0.095 1 287 159 32 ASN N N 119.399 0.042 1 288 159 32 ASN ND2 N 113.467 0.047 1 289 160 33 SER H H 8.297 0.003 1 290 160 33 SER HA H 4.324 0.008 1 291 160 33 SER HB2 H 3.830 0.018 2 292 160 33 SER HB3 H 3.830 0.018 2 293 160 33 SER C C 174.952 0.009 1 294 160 33 SER CA C 58.851 0.087 1 295 160 33 SER CB C 63.704 0.089 1 296 160 33 SER N N 115.453 0.038 1 297 161 34 GLY H H 8.328 0.019 1 298 161 34 GLY HA2 H 3.878 0.008 2 299 161 34 GLY HA3 H 3.878 0.008 2 300 161 34 GLY C C 173.974 0.001 1 301 161 34 GLY CA C 45.348 0.095 1 302 161 34 GLY N N 110.851 0.040 1 303 162 35 GLU H H 8.244 0.014 1 304 162 35 GLU HA H 4.211 0.020 1 305 162 35 GLU HB2 H 1.829 0.006 2 306 162 35 GLU HB3 H 1.978 0.026 2 307 162 35 GLU HG2 H 2.152 0.018 2 308 162 35 GLU HG3 H 2.152 0.018 2 309 162 35 GLU C C 177.522 0.016 1 310 162 35 GLU CA C 56.065 0.105 1 311 162 35 GLU CB C 29.852 0.099 1 312 162 35 GLU N N 120.859 0.033 1 313 163 36 LEU H H 8.337 0.016 1 314 163 36 LEU HA H 3.889 0.016 1 315 163 36 LEU HB2 H 1.438 0.016 2 316 163 36 LEU HB3 H 1.438 0.016 2 317 163 36 LEU HG H 1.459 0.028 1 318 163 36 LEU HD1 H 0.510 0.036 2 319 163 36 LEU HD2 H 0.487 0.037 2 320 163 36 LEU C C 178.043 0.045 1 321 163 36 LEU CA C 57.163 0.140 1 322 163 36 LEU CB C 41.840 0.032 1 323 163 36 LEU CG C 27.171 0.053 1 324 163 36 LEU CD1 C 24.753 0.050 2 325 163 36 LEU CD2 C 23.738 0.046 2 326 163 36 LEU N N 124.226 0.046 1 327 164 37 ASP H H 8.188 0.007 1 328 164 37 ASP HA H 4.327 0.013 1 329 164 37 ASP HB2 H 2.452 0.009 2 330 164 37 ASP HB3 H 2.575 0.009 2 331 164 37 ASP C C 176.423 0.016 1 332 164 37 ASP CA C 55.427 0.047 1 333 164 37 ASP CB C 40.448 0.028 1 334 164 37 ASP N N 116.994 0.049 1 335 165 38 ASP H H 7.701 0.008 1 336 165 38 ASP HA H 4.443 0.016 1 337 165 38 ASP HB2 H 2.540 0.012 2 338 165 38 ASP HB3 H 2.651 0.007 2 339 165 38 ASP C C 175.654 0.018 1 340 165 38 ASP CA C 54.707 0.070 1 341 165 38 ASP CB C 40.973 0.041 1 342 165 38 ASP N N 118.967 0.031 1 343 166 39 ILE H H 7.388 0.012 1 344 166 39 ILE HA H 4.049 0.014 1 345 166 39 ILE HB H 1.642 0.009 1 346 166 39 ILE HG12 H 1.068 0.023 2 347 166 39 ILE HG13 H 1.432 0.018 2 348 166 39 ILE HG2 H 0.743 0.011 1 349 166 39 ILE HD1 H 0.700 0.011 1 350 166 39 ILE C C 175.180 0.005 1 351 166 39 ILE CA C 60.396 0.036 1 352 166 39 ILE CB C 39.185 0.129 1 353 166 39 ILE CG1 C 27.647 0.093 1 354 166 39 ILE CG2 C 17.137 0.073 1 355 166 39 ILE CD1 C 13.357 0.059 1 356 166 39 ILE N N 122.002 0.024 1 357 167 40 SER H H 8.626 0.010 1 358 167 40 SER HA H 4.359 0.012 1 359 167 40 SER HB2 H 3.839 0.009 2 360 167 40 SER HB3 H 3.839 0.009 2 361 167 40 SER C C 175.776 0.000 1 362 167 40 SER CA C 57.493 0.091 1 363 167 40 SER CB C 63.944 0.132 1 364 167 40 SER N N 123.873 0.033 1 365 168 41 ASP H H 8.665 0.017 1 366 168 41 ASP HA H 4.332 0.008 1 367 168 41 ASP HB2 H 2.539 0.031 2 368 168 41 ASP HB3 H 2.539 0.031 2 369 168 41 ASP C C 177.319 0.006 1 370 168 41 ASP CA C 57.873 0.096 1 371 168 41 ASP CB C 40.518 0.077 1 372 168 41 ASP N N 126.917 0.056 1 373 169 42 ALA H H 8.228 0.015 1 374 169 42 ALA HA H 4.076 0.005 1 375 169 42 ALA HB H 1.313 0.010 1 376 169 42 ALA C C 181.207 0.030 1 377 169 42 ALA CA C 54.982 0.108 1 378 169 42 ALA CB C 18.275 0.099 1 379 169 42 ALA N N 120.624 0.050 1 380 170 43 GLU H H 7.680 0.009 1 381 170 43 GLU HA H 4.028 0.006 1 382 170 43 GLU HB2 H 2.012 0.019 2 383 170 43 GLU HB3 H 2.012 0.019 2 384 170 43 GLU HG2 H 2.205 0.009 2 385 170 43 GLU HG3 H 2.205 0.009 2 386 170 43 GLU C C 179.084 0.025 1 387 170 43 GLU CA C 58.955 0.066 1 388 170 43 GLU CB C 29.825 0.069 1 389 170 43 GLU N N 119.725 0.032 1 390 171 44 LEU H H 7.916 0.010 1 391 171 44 LEU HA H 4.054 0.013 1 392 171 44 LEU HB2 H 1.530 0.021 2 393 171 44 LEU HB3 H 1.530 0.021 2 394 171 44 LEU HG H 1.454 0.004 1 395 171 44 LEU HD1 H 0.731 0.007 2 396 171 44 LEU HD2 H 0.749 0.010 2 397 171 44 LEU C C 178.318 0.003 1 398 171 44 LEU CA C 57.700 0.069 1 399 171 44 LEU CB C 42.269 0.068 1 400 171 44 LEU CD1 C 23.896 0.141 2 401 171 44 LEU CD2 C 25.607 0.066 2 402 171 44 LEU N N 123.199 0.034 1 403 172 45 ASP H H 8.547 0.010 1 404 172 45 ASP HA H 4.341 0.013 1 405 172 45 ASP HB2 H 2.588 0.009 2 406 172 45 ASP HB3 H 2.588 0.009 2 407 172 45 ASP C C 178.853 0.015 1 408 172 45 ASP CA C 57.516 0.085 1 409 172 45 ASP CB C 39.653 0.047 1 410 172 45 ASP N N 119.475 0.030 1 411 173 46 ALA H H 7.583 0.012 1 412 173 46 ALA HA H 4.091 0.023 1 413 173 46 ALA HB H 1.437 0.009 1 414 173 46 ALA C C 180.801 0.028 1 415 173 46 ALA CA C 54.923 0.094 1 416 173 46 ALA CB C 18.033 0.117 1 417 173 46 ALA N N 121.999 0.036 1 418 174 47 GLU H H 7.918 0.006 1 419 174 47 GLU HA H 4.038 0.007 1 420 174 47 GLU HB2 H 2.077 0.030 2 421 174 47 GLU HB3 H 2.077 0.030 2 422 174 47 GLU HG2 H 2.336 0.024 2 423 174 47 GLU HG3 H 2.336 0.024 2 424 174 47 GLU C C 179.332 0.015 1 425 174 47 GLU CA C 59.144 0.083 1 426 174 47 GLU CB C 29.499 0.109 1 427 174 47 GLU CG C 36.235 0.037 1 428 174 47 GLU N N 121.181 0.037 1 429 175 48 LEU H H 8.390 0.009 1 430 175 48 LEU HA H 4.086 0.021 1 431 175 48 LEU HB2 H 1.768 0.022 2 432 175 48 LEU HB3 H 1.768 0.022 2 433 175 48 LEU HG H 1.469 0.025 1 434 175 48 LEU HD1 H 0.731 0.014 2 435 175 48 LEU HD2 H 0.755 0.013 2 436 175 48 LEU C C 179.582 0.004 1 437 175 48 LEU CA C 57.301 0.083 1 438 175 48 LEU CB C 41.866 0.000 1 439 175 48 LEU CD1 C 23.133 0.077 2 440 175 48 LEU CD2 C 25.089 0.062 2 441 175 48 LEU N N 121.293 0.051 1 442 176 49 ASP H H 8.305 0.009 1 443 176 49 ASP HA H 4.446 0.012 1 444 176 49 ASP HB2 H 2.603 0.006 2 445 176 49 ASP HB3 H 2.759 0.014 2 446 176 49 ASP C C 178.255 0.018 1 447 176 49 ASP CA C 57.173 0.143 1 448 176 49 ASP CB C 40.912 0.070 1 449 176 49 ASP N N 120.996 0.033 1 450 177 50 ALA H H 7.447 0.008 1 451 177 50 ALA HA H 4.172 0.009 1 452 177 50 ALA HB H 1.451 0.017 1 453 177 50 ALA C C 180.102 0.051 1 454 177 50 ALA CA C 54.286 0.146 1 455 177 50 ALA CB C 18.345 0.069 1 456 177 50 ALA N N 121.256 0.048 1 457 178 51 LEU H H 7.882 0.010 1 458 178 51 LEU HA H 4.180 0.014 1 459 178 51 LEU HB2 H 1.961 0.012 2 460 178 51 LEU HB3 H 1.961 0.012 2 461 178 51 LEU HG H 1.745 0.023 1 462 178 51 LEU HD1 H 0.877 0.022 2 463 178 51 LEU HD2 H 0.888 0.031 2 464 178 51 LEU C C 178.646 0.041 1 465 178 51 LEU CA C 56.549 0.116 1 466 178 51 LEU CB C 42.175 0.080 1 467 178 51 LEU CD1 C 23.295 0.085 2 468 178 51 LEU CD2 C 25.538 0.059 2 469 178 51 LEU N N 119.836 0.051 1 470 179 52 ALA H H 8.292 0.013 1 471 179 52 ALA HA H 4.048 0.018 1 472 179 52 ALA HB H 1.378 0.011 1 473 179 52 ALA C C 178.547 0.037 1 474 179 52 ALA CA C 53.603 0.104 1 475 179 52 ALA CB C 18.671 0.052 1 476 179 52 ALA N N 122.986 0.037 1 477 180 53 GLN H H 7.768 0.008 1 478 180 53 GLN HA H 4.191 0.010 1 479 180 53 GLN HB2 H 1.970 0.010 2 480 180 53 GLN HB3 H 1.970 0.010 2 481 180 53 GLN HG2 H 2.346 0.009 2 482 180 53 GLN HG3 H 2.346 0.009 2 483 180 53 GLN HE21 H 7.461 0.016 2 484 180 53 GLN HE22 H 6.666 0.032 2 485 180 53 GLN C C 176.649 0.041 1 486 180 53 GLN CA C 56.501 0.089 1 487 180 53 GLN CB C 29.631 0.444 1 488 180 53 GLN CG C 36.159 0.023 1 489 180 53 GLN N N 117.680 0.056 1 490 180 53 GLN NE2 N 113.371 0.040 1 491 181 54 GLU H H 7.869 0.016 1 492 181 54 GLU HA H 4.098 0.018 1 493 181 54 GLU HB2 H 1.858 0.019 2 494 181 54 GLU HB3 H 1.858 0.019 2 495 181 54 GLU HG2 H 2.314 0.076 2 496 181 54 GLU HG3 H 2.314 0.076 2 497 181 54 GLU C C 176.232 0.021 1 498 181 54 GLU CA C 56.971 0.109 1 499 181 54 GLU CB C 30.172 0.090 1 500 181 54 GLU CG C 36.239 0.053 1 501 181 54 GLU N N 120.662 0.049 1 502 182 55 ASP H H 8.049 0.015 1 503 182 55 ASP HA H 4.429 0.009 1 504 182 55 ASP HB2 H 2.410 0.020 2 505 182 55 ASP HB3 H 2.410 0.020 2 506 182 55 ASP C C 176.116 0.030 1 507 182 55 ASP CA C 54.555 0.073 1 508 182 55 ASP CB C 41.161 0.071 1 509 182 55 ASP N N 120.362 0.033 1 510 183 56 PHE H H 7.949 0.008 1 511 183 56 PHE HA H 4.551 0.010 1 512 183 56 PHE HB2 H 3.042 0.008 2 513 183 56 PHE HB3 H 2.850 0.009 2 514 183 56 PHE HD1 H 7.064 0.038 3 515 183 56 PHE HD2 H 7.064 0.038 3 516 183 56 PHE HE1 H 7.026 0.021 3 517 183 56 PHE HE2 H 7.026 0.021 3 518 183 56 PHE HZ H 7.259 0.029 1 519 183 56 PHE C C 175.404 0.012 1 520 183 56 PHE CA C 57.579 0.062 1 521 183 56 PHE CB C 39.266 0.047 1 522 183 56 PHE N N 120.873 0.038 1 523 184 57 THR H H 7.970 0.019 1 524 184 57 THR HA H 4.164 0.006 1 525 184 57 THR HB H 4.003 0.018 1 526 184 57 THR HG2 H 1.061 0.007 1 527 184 57 THR C C 173.846 0.009 1 528 184 57 THR CA C 61.925 0.090 1 529 184 57 THR CB C 69.868 0.090 1 530 184 57 THR CG2 C 21.479 0.221 1 531 184 57 THR N N 116.419 0.026 1 532 185 58 LEU H H 8.093 0.020 1 533 185 58 LEU HA H 4.483 0.010 1 534 185 58 LEU HB2 H 1.532 0.012 2 535 185 58 LEU HB3 H 1.532 0.012 2 536 185 58 LEU HG H 1.592 0.013 1 537 185 58 LEU HD1 H 0.847 0.014 2 538 185 58 LEU HD2 H 0.819 0.008 2 539 185 58 LEU CA C 52.831 0.113 1 540 185 58 LEU CB C 41.578 0.089 1 541 185 58 LEU CG C 26.970 0.054 1 542 185 58 LEU CD1 C 25.351 0.094 2 543 185 58 LEU CD2 C 23.451 0.105 2 544 185 58 LEU N N 127.234 0.030 1 545 186 59 PRO HA H 4.141 0.005 1 546 186 59 PRO HB2 H 2.118 0.006 2 547 186 59 PRO HB3 H 1.805 0.011 2 548 186 59 PRO HG2 H 1.885 0.010 2 549 186 59 PRO HG3 H 1.885 0.010 2 550 186 59 PRO HD2 H 3.698 0.014 2 551 186 59 PRO HD3 H 3.548 0.028 2 552 186 59 PRO CA C 64.754 0.157 1 553 186 59 PRO CB C 32.035 0.056 1 554 186 59 PRO CG C 27.236 0.037 1 555 186 59 PRO CD C 50.195 0.020 1 stop_ save_