data_6626 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 'Complete 1H, 13C, and 15N Chemical Shift Assignments for plant Tom20 mitochondrial import receptor cytosolic domain (isoform 3) from Arabidopsis thaliana' ; _BMRB_accession_number 6626 _BMRB_flat_file_name bmr6626.str _Entry_type original _Submission_date 2005-05-12 _Accession_date 2005-05-12 _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 Perry Andrew J. . 2 Hulett Joanne M. . 3 Lithgow Trevor . . 4 Gooley Paul R. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 877 "13C chemical shifts" 620 "15N chemical shifts" 159 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2005-12-14 original author . stop_ _Original_release_date 2005-12-14 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; 1H, 13C and 15N Resonance Assignments of the Cytosolic Domain of Tom20 from Arabidopsis thaliana ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Perry Andrew J. . 2 Hulett Joanne M. . 3 Lithgow Trevor . . 4 Gooley Paul R. . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_volume 33 _Journal_issue 3 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 198 _Page_last 198 _Year 2005 _Details . loop_ _Keyword assignment NMR stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Plant Tom20' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Plant Tom20' $Plant_Tom20_receptor stop_ _System_molecular_weight 17954.8 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state 'all free' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_Plant_Tom20_receptor _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'Plant Tom20 receptor' _Molecular_mass 17954.8 _Mol_thiol_state 'all free' loop_ _Biological_function 'protein import; polypeptide receptor' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 158 _Mol_residue_sequence ; GPLGSMDTETEFDRILLFEQ IRQDAENTYKSNPLDADNLT RWGGVLLELSQFHSISDAKQ MIQEAITKFEEALLIDPKKD EAVWCIGNAYTSFAFLTPDE TEAKHNFDLATQFFQQAVDE QPDNTHYLKSLEMTAKAPQL HAEAYKQGLGGSHHHHHH ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 PRO 3 LEU 4 GLY 5 SER 6 MET 7 ASP 8 THR 9 GLU 10 THR 11 GLU 12 PHE 13 ASP 14 ARG 15 ILE 16 LEU 17 LEU 18 PHE 19 GLU 20 GLN 21 ILE 22 ARG 23 GLN 24 ASP 25 ALA 26 GLU 27 ASN 28 THR 29 TYR 30 LYS 31 SER 32 ASN 33 PRO 34 LEU 35 ASP 36 ALA 37 ASP 38 ASN 39 LEU 40 THR 41 ARG 42 TRP 43 GLY 44 GLY 45 VAL 46 LEU 47 LEU 48 GLU 49 LEU 50 SER 51 GLN 52 PHE 53 HIS 54 SER 55 ILE 56 SER 57 ASP 58 ALA 59 LYS 60 GLN 61 MET 62 ILE 63 GLN 64 GLU 65 ALA 66 ILE 67 THR 68 LYS 69 PHE 70 GLU 71 GLU 72 ALA 73 LEU 74 LEU 75 ILE 76 ASP 77 PRO 78 LYS 79 LYS 80 ASP 81 GLU 82 ALA 83 VAL 84 TRP 85 CYS 86 ILE 87 GLY 88 ASN 89 ALA 90 TYR 91 THR 92 SER 93 PHE 94 ALA 95 PHE 96 LEU 97 THR 98 PRO 99 ASP 100 GLU 101 THR 102 GLU 103 ALA 104 LYS 105 HIS 106 ASN 107 PHE 108 ASP 109 LEU 110 ALA 111 THR 112 GLN 113 PHE 114 PHE 115 GLN 116 GLN 117 ALA 118 VAL 119 ASP 120 GLU 121 GLN 122 PRO 123 ASP 124 ASN 125 THR 126 HIS 127 TYR 128 LEU 129 LYS 130 SER 131 LEU 132 GLU 133 MET 134 THR 135 ALA 136 LYS 137 ALA 138 PRO 139 GLN 140 LEU 141 HIS 142 ALA 143 GLU 144 ALA 145 TYR 146 LYS 147 GLN 148 GLY 149 LEU 150 GLY 151 GLY 152 SER 153 HIS 154 HIS 155 HIS 156 HIS 157 HIS 158 HIS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2014-05-18 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 1ZU2 "Solution Nmr Structure Of The Plant Tom20 Mitochondrial Import Receptor From Arabidopsis Thaliana" 100.00 158 100.00 100.00 4.43e-113 DBJ BAB01089 "TOM20-like protein [Arabidopsis thaliana]" 92.41 202 99.32 99.32 9.05e-102 EMBL CAC14430 "TOM20-3 protein [Arabidopsis thaliana]" 92.41 202 99.32 99.32 9.05e-102 GB AAK64184 "putative TOM20 protein [Arabidopsis thaliana]" 92.41 202 99.32 99.32 9.05e-102 GB AAL85142 "putative TOM20 protein [Arabidopsis thaliana]" 92.41 202 99.32 99.32 9.05e-102 GB AAM64598 "putative TOM20 [Arabidopsis thaliana]" 92.41 202 98.63 98.63 4.26e-101 GB AEE77264 "mitochondrial import receptor subunit TOM20-3 [Arabidopsis thaliana]" 92.41 202 99.32 99.32 9.05e-102 REF NP_189344 "mitochondrial import receptor subunit TOM20-3 [Arabidopsis thaliana]" 92.41 202 99.32 99.32 9.05e-102 SP P82874 "RecName: Full=Mitochondrial import receptor subunit TOM20-3; AltName: Full=Translocase of outer membrane 20 kDa subunit 3 [Arab" 92.41 202 99.32 99.32 9.05e-102 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Organelle $Plant_Tom20_receptor 'Mouse-ear cress' 3702 Eukaryota Viridiplantae Arabidopsis thaliana mitochondria stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_type _Vector_name _Vendor_name $Plant_Tom20_receptor 'recombinant technology' 'E. coli' Escherichia coli 'BL21(DE3) Rosetta' plasmid pGEX-6-3P-AtTom20-3 Pharmacia stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $Plant_Tom20_receptor 0.8 mM 0.7 1.0 '[U-95% 13C; U-95% 15N]' 'sodium phosphate' 20 mM . . . 'sodium chloride' 150 mM . . . 'sodium azide' 0.02 % . . . dithiothreitol 1 mM . . . 'ethylenediaminetetraacetic acid' 1 mM . . . phenylmethylsulphonylfluoride 1 mM . . . 'deuterium dioxide' . % . . . stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $Plant_Tom20_receptor 0.8 mM 0.7 1.0 '[U-95% 13C; U-95% 15N]' 'sodium phosphate' 20 mM . . . 'sodium chloride' 150 mM . . . 'sodium azide' 0.02 % . . . dithiothreitol 1 mM . . . 'ethylenediaminetetraacetic acid' 1 mM . . . phenylmethylsulphonylfluoride 1 mM . . . 'deuterium dioxide' . % . . . stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $Plant_Tom20_receptor 0.8 mM 0.7 1.0 '[U-95% 15N]' 'sodium phosphate' 20 mM . . . 'sodium chloride' 150 mM . . . 'sodium azide' 0.02 % . . . dithiothreitol 1 mM . . . 'ethylenediaminetetraacetic acid' 1 mM . . . phenylmethylsulphonylfluoride 1 mM . . . 'deuterium dioxide' . % . . . stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version 1.1 loop_ _Vendor _Address _Electronic_address 'Frank Delaglio' . http://spin.niddk.nih.gov/bax/software/NMRPipe/ stop_ loop_ _Task 'spectra processing' stop_ _Details . save_ save_Sparky _Saveframe_category software _Name SPARKY _Version 3.110 loop_ _Vendor _Address _Electronic_address 'T. D. Goddard and D. G. Kneller' 'University of California, San Francisco' http://www.cgl.ucsf.edu/home/sparky/ stop_ loop_ _Task 'spectral assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_600MHz _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ save_500MHz _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 500 _Details . save_ ############################# # NMR applied experiments # ############################# save_15N-HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name 15N-HSQC _Sample_label $sample_1 save_ save_13C_1H-HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name 13C_1H-HSQC _Sample_label $sample_1 save_ save_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _Sample_label $sample_1 save_ save_CBCA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name CBCA(CO)NH _Sample_label $sample_1 save_ save_C(CO)NH-TOCSY_5 _Saveframe_category NMR_applied_experiment _Experiment_name C(CO)NH-TOCSY _Sample_label $sample_1 save_ save_H(CCO)NH-TOCSY_6 _Saveframe_category NMR_applied_experiment _Experiment_name H(CCO)NH-TOCSY _Sample_label $sample_1 save_ save_HNCO_7 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _Sample_label $sample_1 save_ save_HCCH-TOCSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-TOCSY _Sample_label $sample_1 save_ save_HCCH-COSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-COSY _Sample_label $sample_1 save_ save_HN(CA)CO_10 _Saveframe_category NMR_applied_experiment _Experiment_name HN(CA)CO _Sample_label $sample_1 save_ save_13C_HSQC-NOESY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '13C HSQC-NOESY' _Sample_label $sample_1 save_ save_13C_NOESY-HSQC_(aromatic_region)_12 _Saveframe_category NMR_applied_experiment _Experiment_name '13C NOESY-HSQC (aromatic region)' _Sample_label $sample_1 save_ save_[13C,1H]-HSQC_(aromatic_region)_13 _Saveframe_category NMR_applied_experiment _Experiment_name '[13C,1H]-HSQC (aromatic region)' _Sample_label $sample_1 save_ save_15N_NOESY-HSQC_14 _Saveframe_category NMR_applied_experiment _Experiment_name '15N NOESY-HSQC' _Sample_label $sample_1 save_ save_15N-HSQC _Saveframe_category NMR_applied_experiment _Experiment_name 15N-HSQC _BMRB_pulse_sequence_accession_number . _Details . save_ save_13C_1H-HSQC _Saveframe_category NMR_applied_experiment _Experiment_name [13C,1H]-HSQC _BMRB_pulse_sequence_accession_number . _Details . save_ save_HNCACB _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _BMRB_pulse_sequence_accession_number . _Details . save_ save_CBCA(CO)NH _Saveframe_category NMR_applied_experiment _Experiment_name CBCA(CO)NH _BMRB_pulse_sequence_accession_number . _Details . save_ save_C(CO)NH-TOCSY _Saveframe_category NMR_applied_experiment _Experiment_name C(CO)NH-TOCSY _BMRB_pulse_sequence_accession_number . _Details . save_ save_H(CCO)NH-TOCSY _Saveframe_category NMR_applied_experiment _Experiment_name H(CCO)NH-TOCSY _BMRB_pulse_sequence_accession_number . _Details . save_ save_HNCO _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _BMRB_pulse_sequence_accession_number . _Details . save_ save_HCCH-TOCSY _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-TOCSY _BMRB_pulse_sequence_accession_number . _Details . save_ save_HCCH-COSY _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-COSY _BMRB_pulse_sequence_accession_number . _Details . save_ save_HN(CA)CO _Saveframe_category NMR_applied_experiment _Experiment_name HN(CA)CO _BMRB_pulse_sequence_accession_number . _Details . save_ save_13C_HSQC-NOESY _Saveframe_category NMR_applied_experiment _Experiment_name '13C HSQC-NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_13C_NOESY-HSQC_(aromatic_region) _Saveframe_category NMR_applied_experiment _Experiment_name '13C NOESY-HSQC (aromatic region)' _BMRB_pulse_sequence_accession_number . _Details 'aromatic region' save_ save_13C-1H-HSQC_(aromatic_region) _Saveframe_category NMR_applied_experiment _Experiment_name '[13C,1H]-HSQC (aromatic region)' _BMRB_pulse_sequence_accession_number . _Details 'aromatic region' save_ save_15N_NOESY-HSQC _Saveframe_category NMR_applied_experiment _Experiment_name '15N NOESY-HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 7.4 0.05 pH pressure 1 0 atm temperature 298 0.05 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _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 0.0 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 . 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_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $Sparky stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $conditions_1 _Chem_shift_reference_set_label $chemical_shift_referencing _Mol_system_component_name 'Plant Tom20' _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 2 2 PRO HA H 4.40 0.01 1 2 2 2 PRO HB2 H 2.24 0.01 2 3 2 2 PRO HB3 H 1.88 0.01 2 4 2 2 PRO HG2 H 1.93 0.01 1 5 2 2 PRO HG3 H 1.93 0.01 1 6 2 2 PRO HD2 H 3.54 0.01 2 7 2 2 PRO HD3 H 3.48 0.01 2 8 2 2 PRO C C 177.0 0.1 1 9 2 2 PRO CA C 63.3 0.1 1 10 2 2 PRO CB C 32.4 0.1 1 11 2 2 PRO CG C 27.2 0.1 1 12 3 3 LEU H H 8.54 0.01 1 13 3 3 LEU HA H 4.28 0.01 1 14 3 3 LEU HB2 H 1.54 0.01 1 15 3 3 LEU HB3 H 1.54 0.01 1 16 3 3 LEU HG H 1.58 0.01 1 17 3 3 LEU HD1 H 0.82 0.01 2 18 3 3 LEU HD2 H 0.81 0.01 2 19 3 3 LEU C C 177.8 0.1 1 20 3 3 LEU CA C 55.4 0.1 1 21 3 3 LEU CB C 42.1 0.1 1 22 3 3 LEU CG C 27.2 0.1 1 23 3 3 LEU CD1 C 25.0 0.1 1 24 3 3 LEU CD2 C 23.6 0.1 1 25 3 3 LEU N N 119.4 0.1 1 26 4 4 GLY H H 8.37 0.01 1 27 4 4 GLY HA2 H 3.78 0.01 1 28 4 4 GLY HA3 H 3.78 0.01 1 29 4 4 GLY C C 181.6 0.1 1 30 4 4 GLY CA C 45.4 0.1 1 31 4 4 GLY N N 107.4 0.1 1 32 5 5 SER H H 8.16 0.01 1 33 5 5 SER C C 174.7 0.1 1 34 5 5 SER CA C 58.4 0.1 1 35 5 5 SER CB C 64.0 0.1 1 36 5 5 SER N N 113.2 0.1 1 37 6 6 MET H H 8.46 0.01 1 38 6 6 MET HA H 4.46 0.01 1 39 6 6 MET HE H 2.00 0.01 1 40 6 6 MET C C 175.9 0.1 1 41 6 6 MET CA C 55.6 0.1 1 42 6 6 MET CB C 32.7 0.1 1 43 6 6 MET CG C 32.1 0.1 1 44 6 6 MET CE C 17.1 0.1 1 45 6 6 MET N N 119.4 0.1 1 46 7 7 ASP H H 8.32 0.01 1 47 7 7 ASP HA H 4.59 0.01 1 48 7 7 ASP HB2 H 2.69 0.01 2 49 7 7 ASP HB3 H 2.59 0.01 2 50 7 7 ASP C C 176.4 0.1 1 51 7 7 ASP CA C 54.7 0.1 1 52 7 7 ASP CB C 41.1 0.1 1 53 7 7 ASP N N 118.9 0.1 1 54 8 8 THR H H 7.99 0.01 1 55 8 8 THR HA H 4.26 0.01 1 56 8 8 THR HB H 4.21 0.01 1 57 8 8 THR HG2 H 1.13 0.01 1 58 8 8 THR C C 174.8 0.1 1 59 8 8 THR CA C 62.0 0.1 1 60 8 8 THR CB C 69.7 0.1 1 61 8 8 THR CG2 C 21.7 0.1 1 62 8 8 THR N N 110.9 0.1 1 63 9 9 GLU H H 8.42 0.01 1 64 9 9 GLU HA H 4.31 0.01 1 65 9 9 GLU HB2 H 2.06 0.01 2 66 9 9 GLU HB3 H 1.97 0.01 2 67 9 9 GLU HG2 H 2.21 0.01 1 68 9 9 GLU HG3 H 2.21 0.01 1 69 9 9 GLU C C 177.0 0.1 1 70 9 9 GLU CA C 57.2 0.1 1 71 9 9 GLU CB C 30.4 0.1 1 72 9 9 GLU CG C 36.5 0.1 1 73 9 9 GLU N N 120.5 0.1 1 74 10 10 THR H H 8.28 0.01 1 75 10 10 THR HA H 4.35 0.01 1 76 10 10 THR HB H 4.27 0.01 1 77 10 10 THR HG2 H 1.19 0.01 1 78 10 10 THR C C 175.2 0.1 1 79 10 10 THR CA C 61.9 0.1 1 80 10 10 THR CB C 70.4 0.1 1 81 10 10 THR CG2 C 21.8 0.1 1 82 10 10 THR N N 111.7 0.1 1 83 11 11 GLU H H 8.53 0.01 1 84 11 11 GLU HA H 4.08 0.01 1 85 11 11 GLU HB2 H 1.94 0.01 1 86 11 11 GLU HB3 H 1.94 0.01 1 87 11 11 GLU HG2 H 2.17 0.01 2 88 11 11 GLU HG3 H 2.09 0.01 2 89 11 11 GLU CA C 58.3 0.1 1 90 11 11 GLU CB C 29.8 0.1 1 91 11 11 GLU CG C 36.6 0.1 1 92 11 11 GLU N N 120.2 0.1 1 93 12 12 PHE H H 7.96 0.01 1 94 12 12 PHE HA H 4.16 0.01 1 95 12 12 PHE HB2 H 3.01 0.01 1 96 12 12 PHE HB3 H 3.01 0.01 1 97 12 12 PHE HD1 H 7.17 0.01 1 98 12 12 PHE HD2 H 7.17 0.01 1 99 12 12 PHE HE1 H 7.28 0.01 1 100 12 12 PHE HE2 H 7.28 0.01 1 101 12 12 PHE C C 176.8 0.1 1 102 12 12 PHE CA C 59.9 0.1 1 103 12 12 PHE CB C 39.2 0.1 1 104 12 12 PHE CD1 C 131.8 0.1 1 105 12 12 PHE CE1 C 131.6 0.1 1 106 12 12 PHE N N 116.9 0.1 1 107 13 13 ASP H H 7.96 0.01 1 108 13 13 ASP HA H 4.27 0.01 1 109 13 13 ASP HB2 H 2.60 0.01 1 110 13 13 ASP HB3 H 2.60 0.01 1 111 13 13 ASP C C 178.1 0.1 1 112 13 13 ASP CA C 56.3 0.1 1 113 13 13 ASP CB C 40.7 0.1 1 114 13 13 ASP N N 116.9 0.1 1 115 14 14 ARG H H 7.81 0.01 1 116 14 14 ARG HA H 3.66 0.01 1 117 14 14 ARG HB2 H 1.70 0.01 2 118 14 14 ARG HB3 H 1.59 0.01 2 119 14 14 ARG HG2 H 1.52 0.01 2 120 14 14 ARG HG3 H 1.36 0.01 2 121 14 14 ARG HD2 H 3.17 0.01 1 122 14 14 ARG HD3 H 3.17 0.01 1 123 14 14 ARG C C 177.1 0.1 1 124 14 14 ARG CA C 59.1 0.1 1 125 14 14 ARG CB C 30.2 0.1 1 126 14 14 ARG CG C 27.7 0.1 1 127 14 14 ARG CD C 43.6 0.1 1 128 14 14 ARG N N 119.2 0.1 1 129 15 15 ILE H H 7.69 0.01 1 130 15 15 ILE HA H 3.31 0.01 1 131 15 15 ILE HB H 1.46 0.01 1 132 15 15 ILE HG12 H 0.97 0.01 2 133 15 15 ILE HG13 H 0.18 0.01 2 134 15 15 ILE HG2 H 0.67 0.01 1 135 15 15 ILE HD1 H 0.40 0.01 1 136 15 15 ILE C C 177.4 0.1 1 137 15 15 ILE CA C 65.8 0.1 1 138 15 15 ILE CB C 37.7 0.1 1 139 15 15 ILE CG1 C 29.1 0.1 1 140 15 15 ILE CG2 C 17.1 0.1 1 141 15 15 ILE CD1 C 13.7 0.1 1 142 15 15 ILE N N 116.3 0.1 1 143 16 16 LEU H H 7.41 0.01 1 144 16 16 LEU HA H 3.87 0.01 1 145 16 16 LEU HB2 H 1.57 0.01 2 146 16 16 LEU HB3 H 1.44 0.01 2 147 16 16 LEU HD1 H 0.79 0.01 2 148 16 16 LEU HD2 H 0.74 0.01 2 149 16 16 LEU C C 180.0 0.1 1 150 16 16 LEU CA C 57.9 0.1 1 151 16 16 LEU CB C 41.6 0.1 1 152 16 16 LEU CG C 26.9 0.1 1 153 16 16 LEU CD1 C 25.0 0.1 1 154 16 16 LEU CD2 C 23.6 0.1 1 155 16 16 LEU N N 116.1 0.1 1 156 17 17 LEU H H 7.38 0.01 1 157 17 17 LEU HA H 4.05 0.01 1 158 17 17 LEU HB2 H 1.50 0.01 1 159 17 17 LEU HB3 H 1.50 0.01 1 160 17 17 LEU HG H 1.47 0.01 1 161 17 17 LEU HD1 H 0.79 0.01 2 162 17 17 LEU HD2 H 0.70 0.01 2 163 17 17 LEU C C 179.6 0.1 1 164 17 17 LEU CA C 58.1 0.1 1 165 17 17 LEU CB C 41.4 0.1 1 166 17 17 LEU CG C 27.0 0.1 1 167 17 17 LEU CD1 C 24.3 0.1 1 168 17 17 LEU CD2 C 24.5 0.1 1 169 17 17 LEU N N 117.8 0.1 1 170 18 18 PHE H H 8.08 0.01 1 171 18 18 PHE HA H 4.50 0.01 1 172 18 18 PHE HB2 H 3.27 0.01 2 173 18 18 PHE HB3 H 3.10 0.01 2 174 18 18 PHE HD1 H 7.11 0.01 1 175 18 18 PHE HD2 H 7.11 0.01 1 176 18 18 PHE HE1 H 7.36 0.01 1 177 18 18 PHE HE2 H 7.36 0.01 1 178 18 18 PHE C C 178.6 0.1 1 179 18 18 PHE CA C 59.2 0.1 1 180 18 18 PHE CB C 38.0 0.1 1 181 18 18 PHE N N 115.6 0.1 1 182 19 19 GLU H H 8.90 0.01 1 183 19 19 GLU HA H 4.30 0.01 1 184 19 19 GLU HB2 H 2.13 0.01 2 185 19 19 GLU HB3 H 1.99 0.01 2 186 19 19 GLU HG2 H 2.33 0.01 1 187 19 19 GLU HG3 H 2.33 0.01 1 188 19 19 GLU C C 179.4 0.1 1 189 19 19 GLU CA C 59.4 0.1 1 190 19 19 GLU CB C 29.1 0.1 1 191 19 19 GLU CG C 35.9 0.1 1 192 19 19 GLU N N 117.6 0.1 1 193 20 20 GLN H H 7.93 0.01 1 194 20 20 GLN HA H 4.00 0.01 1 195 20 20 GLN HB2 H 2.24 0.01 1 196 20 20 GLN HB3 H 2.24 0.01 1 197 20 20 GLN HG2 H 2.45 0.01 2 198 20 20 GLN HG3 H 2.33 0.01 2 199 20 20 GLN C C 178.7 0.1 1 200 20 20 GLN CA C 59.1 0.1 1 201 20 20 GLN CB C 28.3 0.1 1 202 20 20 GLN CG C 34.0 0.1 1 203 20 20 GLN N N 118.3 0.1 1 204 21 21 ILE H H 8.06 0.01 1 205 21 21 ILE HA H 3.72 0.01 1 206 21 21 ILE HB H 2.10 0.01 1 207 21 21 ILE HG12 H 1.91 0.01 2 208 21 21 ILE HG13 H 1.10 0.01 2 209 21 21 ILE HG2 H 0.91 0.01 1 210 21 21 ILE HD1 H 0.90 0.01 1 211 21 21 ILE C C 178.3 0.1 1 212 21 21 ILE CA C 65.4 0.1 1 213 21 21 ILE CB C 38.2 0.1 1 214 21 21 ILE CG1 C 29.0 0.1 1 215 21 21 ILE CG2 C 17.2 0.1 1 216 21 21 ILE CD1 C 13.8 0.1 1 217 21 21 ILE N N 119.0 0.1 1 218 22 22 ARG H H 8.62 0.01 1 219 22 22 ARG HA H 3.55 0.01 1 220 22 22 ARG HB2 H 1.82 0.01 1 221 22 22 ARG HB3 H 1.82 0.01 1 222 22 22 ARG HG2 H 1.69 0.01 2 223 22 22 ARG HG3 H 1.48 0.01 2 224 22 22 ARG C C 177.1 0.1 1 225 22 22 ARG CA C 60.2 0.1 1 226 22 22 ARG CB C 30.2 0.1 1 227 22 22 ARG CG C 25.9 0.1 1 228 22 22 ARG CD C 45.3 0.1 1 229 22 22 ARG N N 118.9 0.1 1 230 23 23 GLN H H 8.20 0.01 1 231 23 23 GLN HA H 3.83 0.01 1 232 23 23 GLN HB2 H 2.08 0.01 1 233 23 23 GLN HB3 H 2.08 0.01 1 234 23 23 GLN HG2 H 2.43 0.01 2 235 23 23 GLN HG3 H 2.30 0.01 2 236 23 23 GLN HE21 H 7.46 0.01 2 237 23 23 GLN HE22 H 6.80 0.01 2 238 23 23 GLN C C 178.6 0.1 1 239 23 23 GLN CA C 58.9 0.1 1 240 23 23 GLN CB C 28.7 0.1 1 241 23 23 GLN CG C 34.3 0.1 1 242 23 23 GLN N N 115.8 0.1 1 243 23 23 GLN NE2 N 110.5 0.1 1 244 24 24 ASP H H 8.27 0.01 1 245 24 24 ASP HA H 4.34 0.01 1 246 24 24 ASP HB2 H 2.75 0.01 2 247 24 24 ASP HB3 H 2.65 0.01 2 248 24 24 ASP C C 178.9 0.1 1 249 24 24 ASP CA C 57.4 0.1 1 250 24 24 ASP CB C 41.0 0.1 1 251 24 24 ASP N N 118.1 0.1 1 252 25 25 ALA H H 8.50 0.01 1 253 25 25 ALA HA H 4.55 0.01 1 254 25 25 ALA HB H 0.91 0.01 1 255 25 25 ALA C C 180.5 0.1 1 256 25 25 ALA CA C 54.0 0.1 1 257 25 25 ALA CB C 16.1 0.1 1 258 25 25 ALA N N 123.0 0.1 1 259 26 26 GLU H H 7.69 0.01 1 260 26 26 GLU HA H 2.58 0.01 1 261 26 26 GLU HB2 H 1.75 0.01 2 262 26 26 GLU HB3 H 1.65 0.01 2 263 26 26 GLU HG2 H 2.16 0.01 2 264 26 26 GLU HG3 H 1.96 0.01 2 265 26 26 GLU C C 179.0 0.1 1 266 26 26 GLU CA C 58.9 0.1 1 267 26 26 GLU CB C 29.2 0.1 1 268 26 26 GLU CG C 36.4 0.1 1 269 26 26 GLU N N 118.5 0.1 1 270 27 27 ASN H H 8.03 0.01 1 271 27 27 ASN HA H 4.33 0.01 1 272 27 27 ASN HB2 H 2.88 0.01 2 273 27 27 ASN HB3 H 2.77 0.01 2 274 27 27 ASN HD21 H 6.92 0.01 2 275 27 27 ASN HD22 H 7.78 0.01 2 276 27 27 ASN C C 178.9 0.1 1 277 27 27 ASN CA C 56.2 0.1 1 278 27 27 ASN CB C 38.0 0.1 1 279 27 27 ASN N N 115.8 0.1 1 280 27 27 ASN ND2 N 110.8 0.1 1 281 28 28 THR H H 8.67 0.01 1 282 28 28 THR HA H 3.87 0.01 1 283 28 28 THR HB H 4.17 0.01 1 284 28 28 THR HG2 H 1.13 0.01 1 285 28 28 THR C C 175.4 0.1 1 286 28 28 THR CA C 66.9 0.1 1 287 28 28 THR CB C 68.1 0.1 1 288 28 28 THR CG2 C 21.0 0.1 1 289 28 28 THR N N 117.9 0.1 1 290 29 29 TYR H H 8.01 0.01 1 291 29 29 TYR HA H 3.86 0.01 1 292 29 29 TYR HB2 H 2.99 0.01 2 293 29 29 TYR HB3 H 2.82 0.01 2 294 29 29 TYR HD1 H 7.42 0.01 1 295 29 29 TYR HD2 H 7.42 0.01 1 296 29 29 TYR HE1 H 7.00 0.01 1 297 29 29 TYR HE2 H 7.00 0.01 1 298 29 29 TYR C C 175.9 0.1 1 299 29 29 TYR CA C 61.3 0.1 1 300 29 29 TYR CB C 39.5 0.1 1 301 29 29 TYR CD1 C 133.8 0.1 1 302 29 29 TYR CE1 C 119.3 0.1 1 303 29 29 TYR N N 120.9 0.1 1 304 30 30 LYS H H 7.33 0.01 1 305 30 30 LYS HA H 3.85 0.01 1 306 30 30 LYS HB2 H 1.90 0.01 1 307 30 30 LYS HB3 H 1.90 0.01 1 308 30 30 LYS HG2 H 1.72 0.01 2 309 30 30 LYS HG3 H 1.50 0.01 2 310 30 30 LYS HD2 H 1.70 0.01 1 311 30 30 LYS HD3 H 1.70 0.01 1 312 30 30 LYS HE2 H 2.97 0.01 1 313 30 30 LYS HE3 H 2.97 0.01 1 314 30 30 LYS C C 178.3 0.1 1 315 30 30 LYS CA C 59.0 0.1 1 316 30 30 LYS CB C 32.4 0.1 1 317 30 30 LYS CG C 25.6 0.1 1 318 30 30 LYS CD C 29.4 0.1 1 319 30 30 LYS CE C 42.3 0.1 1 320 30 30 LYS N N 112.7 0.1 1 321 31 31 SER H H 7.14 0.01 1 322 31 31 SER HA H 4.38 0.01 1 323 31 31 SER HB2 H 3.85 0.01 1 324 31 31 SER HB3 H 3.85 0.01 1 325 31 31 SER C C 174.6 0.1 1 326 31 31 SER CA C 59.7 0.1 1 327 31 31 SER CB C 64.0 0.1 1 328 31 31 SER N N 108.5 0.1 1 329 32 32 ASN H H 8.47 0.01 1 330 32 32 ASN HA H 5.03 0.01 1 331 32 32 ASN HB2 H 2.95 0.01 2 332 32 32 ASN HB3 H 2.68 0.01 2 333 32 32 ASN C C 172.2 0.1 1 334 32 32 ASN CA C 51.0 0.1 1 335 32 32 ASN CB C 38.4 0.1 1 336 32 32 ASN N N 114.7 0.1 1 337 33 33 PRO HA H 4.23 0.01 1 338 33 33 PRO HB2 H 1.76 0.01 2 339 33 33 PRO HB3 H 1.48 0.01 2 340 33 33 PRO HG2 H 1.80 0.01 2 341 33 33 PRO HG3 H 1.70 0.01 2 342 33 33 PRO HD2 H 3.69 0.01 2 343 33 33 PRO HD3 H 3.23 0.01 2 344 33 33 PRO C C 175.5 0.1 1 345 33 33 PRO CA C 64.3 0.1 1 346 33 33 PRO CB C 31.7 0.1 1 347 33 33 PRO CG C 26.6 0.1 1 348 33 33 PRO CD C 50.3 0.1 1 349 34 34 LEU H H 7.42 0.01 1 350 34 34 LEU HA H 4.58 0.01 1 351 34 34 LEU HB2 H 1.75 0.01 2 352 34 34 LEU HB3 H 1.69 0.01 2 353 34 34 LEU HG H 1.50 0.01 1 354 34 34 LEU HD1 H 0.92 0.01 2 355 34 34 LEU HD2 H 0.81 0.01 2 356 34 34 LEU C C 176.0 0.1 1 357 34 34 LEU CA C 53.5 0.1 1 358 34 34 LEU CB C 40.3 0.1 1 359 34 34 LEU CG C 27.4 0.1 1 360 34 34 LEU CD1 C 25.4 0.1 1 361 34 34 LEU CD2 C 22.6 0.1 1 362 34 34 LEU N N 113.3 0.1 1 363 35 35 ASP H H 6.81 0.01 1 364 35 35 ASP HA H 4.73 0.01 1 365 35 35 ASP HB2 H 3.09 0.01 2 366 35 35 ASP HB3 H 2.59 0.01 2 367 35 35 ASP C C 177.4 0.1 1 368 35 35 ASP CA C 53.2 0.1 1 369 35 35 ASP CB C 40.5 0.1 1 370 35 35 ASP N N 114.8 0.1 1 371 36 36 ALA H H 8.98 0.01 1 372 36 36 ALA HA H 4.25 0.01 1 373 36 36 ALA HB H 1.68 0.01 1 374 36 36 ALA C C 180.1 0.1 1 375 36 36 ALA CA C 54.8 0.1 1 376 36 36 ALA CB C 19.1 0.1 1 377 36 36 ALA N N 128.5 0.1 1 378 37 37 ASP H H 8.43 0.01 1 379 37 37 ASP HA H 4.50 0.01 1 380 37 37 ASP HB2 H 3.00 0.01 2 381 37 37 ASP HB3 H 2.73 0.01 2 382 37 37 ASP C C 179.0 0.1 1 383 37 37 ASP CA C 58.0 0.1 1 384 37 37 ASP CB C 40.0 0.1 1 385 37 37 ASP N N 120.2 0.1 1 386 38 38 ASN H H 8.62 0.01 1 387 38 38 ASN HA H 4.40 0.01 1 388 38 38 ASN HB2 H 2.91 0.01 2 389 38 38 ASN HB3 H 2.65 0.01 2 390 38 38 ASN HD21 H 8.05 0.01 2 391 38 38 ASN HD22 H 7.57 0.01 2 392 38 38 ASN C C 177.4 0.1 1 393 38 38 ASN CA C 57.4 0.1 1 394 38 38 ASN CB C 39.4 0.1 1 395 38 38 ASN N N 118.9 0.1 1 396 38 38 ASN ND2 N 110.4 0.1 1 397 39 39 LEU H H 7.52 0.01 1 398 39 39 LEU HA H 4.13 0.01 1 399 39 39 LEU HB2 H 1.90 0.01 2 400 39 39 LEU HB3 H 1.74 0.01 2 401 39 39 LEU HG H 1.92 0.01 1 402 39 39 LEU HD1 H 1.01 0.01 2 403 39 39 LEU HD2 H 1.01 0.01 2 404 39 39 LEU C C 178.2 0.1 1 405 39 39 LEU CA C 59.6 0.1 1 406 39 39 LEU CB C 43.5 0.1 1 407 39 39 LEU CD1 C 26.3 0.1 1 408 39 39 LEU CD2 C 24.7 0.1 1 409 39 39 LEU N N 116.3 0.1 1 410 40 40 THR H H 7.83 0.01 1 411 40 40 THR HA H 4.04 0.01 1 412 40 40 THR HB H 4.43 0.01 1 413 40 40 THR HG2 H 1.28 0.01 1 414 40 40 THR C C 177.0 0.1 1 415 40 40 THR CA C 67.9 0.1 1 416 40 40 THR CB C 68.0 0.1 1 417 40 40 THR CG2 C 21.5 0.1 1 418 40 40 THR N N 113.0 0.1 1 419 41 41 ARG H H 8.37 0.01 1 420 41 41 ARG HA H 4.19 0.01 1 421 41 41 ARG HB2 H 2.01 0.01 1 422 41 41 ARG HB3 H 2.01 0.01 1 423 41 41 ARG HG2 H 1.76 0.01 2 424 41 41 ARG HG3 H 1.49 0.01 2 425 41 41 ARG HD2 H 3.24 0.01 1 426 41 41 ARG HD3 H 3.24 0.01 1 427 41 41 ARG C C 178.5 0.1 1 428 41 41 ARG CA C 59.6 0.1 1 429 41 41 ARG CB C 30.2 0.1 1 430 41 41 ARG CG C 27.8 0.1 1 431 41 41 ARG CD C 43.8 0.1 1 432 41 41 ARG N N 122.6 0.1 1 433 42 42 TRP H H 8.75 0.01 1 434 42 42 TRP HA H 4.34 0.01 1 435 42 42 TRP HB2 H 3.44 0.01 2 436 42 42 TRP HB3 H 3.26 0.01 2 437 42 42 TRP HD1 H 6.97 0.01 1 438 42 42 TRP HE1 H 10.49 0.01 1 439 42 42 TRP HZ2 H 7.39 0.01 1 440 42 42 TRP HZ3 H 6.16 0.01 1 441 42 42 TRP HH2 H 6.92 0.01 1 442 42 42 TRP C C 178.7 0.1 1 443 42 42 TRP CA C 57.3 0.1 1 444 42 42 TRP CB C 30.5 0.1 1 445 42 42 TRP CD1 C 122.8 0.1 1 446 42 42 TRP CZ2 C 114.9 0.1 1 447 42 42 TRP CZ3 C 121.4 0.1 1 448 42 42 TRP CH2 C 123.5 0.1 1 449 42 42 TRP N N 119.7 0.1 1 450 42 42 TRP NE1 N 125.5 0.1 1 451 43 43 GLY H H 8.41 0.01 1 452 43 43 GLY HA2 H 3.04 0.01 2 453 43 43 GLY HA3 H 2.66 0.01 2 454 43 43 GLY C C 175.7 0.1 1 455 43 43 GLY CA C 48.2 0.1 1 456 43 43 GLY N N 101.4 0.1 1 457 44 44 GLY H H 8.57 0.01 1 458 44 44 GLY HA2 H 4.21 0.01 2 459 44 44 GLY HA3 H 3.88 0.01 2 460 44 44 GLY C C 175.6 0.1 1 461 44 44 GLY CA C 47.8 0.1 1 462 44 44 GLY N N 105.8 0.1 1 463 45 45 VAL H H 8.41 0.01 1 464 45 45 VAL HA H 4.05 0.01 1 465 45 45 VAL HB H 2.23 0.01 1 466 45 45 VAL HG1 H 1.23 0.01 2 467 45 45 VAL HG2 H 1.25 0.01 2 468 45 45 VAL C C 177.3 0.1 1 469 45 45 VAL CA C 64.8 0.1 1 470 45 45 VAL CB C 31.4 0.1 1 471 45 45 VAL CG1 C 21.2 0.1 1 472 45 45 VAL CG2 C 23.5 0.1 1 473 45 45 VAL N N 119.0 0.1 1 474 46 46 LEU H H 7.83 0.01 1 475 46 46 LEU HA H 4.03 0.01 1 476 46 46 LEU HB2 H 1.93 0.01 2 477 46 46 LEU HB3 H 1.18 0.01 2 478 46 46 LEU HG H 1.78 0.01 1 479 46 46 LEU HD1 H 0.28 0.01 2 480 46 46 LEU HD2 H 0.84 0.01 2 481 46 46 LEU C C 179.2 0.1 1 482 46 46 LEU CA C 58.4 0.1 1 483 46 46 LEU CB C 41.8 0.1 1 484 46 46 LEU CG C 27.2 0.1 1 485 46 46 LEU CD1 C 25.0 0.1 1 486 46 46 LEU CD2 C 22.3 0.1 1 487 46 46 LEU N N 121.8 0.1 1 488 47 47 LEU H H 7.79 0.01 1 489 47 47 LEU HA H 3.84 0.01 1 490 47 47 LEU HB2 H 1.93 0.01 2 491 47 47 LEU HB3 H 1.57 0.01 2 492 47 47 LEU HG H 1.86 0.01 1 493 47 47 LEU HD1 H 0.90 0.01 2 494 47 47 LEU HD2 H 0.75 0.01 2 495 47 47 LEU C C 181.4 0.1 1 496 47 47 LEU CA C 58.0 0.1 1 497 47 47 LEU CB C 40.9 0.1 1 498 47 47 LEU CG C 26.3 0.1 1 499 47 47 LEU CD1 C 25.0 0.1 1 500 47 47 LEU CD2 C 24.3 0.1 1 501 47 47 LEU N N 114.6 0.1 1 502 48 48 GLU H H 7.72 0.01 1 503 48 48 GLU HA H 3.93 0.01 1 504 48 48 GLU HB2 H 1.44 0.01 2 505 48 48 GLU HB3 H 1.34 0.01 2 506 48 48 GLU HG2 H 1.97 0.01 2 507 48 48 GLU HG3 H 1.90 0.01 2 508 48 48 GLU C C 179.6 0.1 1 509 48 48 GLU CA C 59.4 0.1 1 510 48 48 GLU CB C 28.8 0.1 1 511 48 48 GLU CG C 35.2 0.1 1 512 48 48 GLU N N 118.6 0.1 1 513 49 49 LEU H H 8.72 0.01 1 514 49 49 LEU HA H 4.26 0.01 1 515 49 49 LEU HB2 H 2.00 0.01 2 516 49 49 LEU HB3 H 1.60 0.01 2 517 49 49 LEU HG H 1.68 0.01 1 518 49 49 LEU HD1 H 0.94 0.01 2 519 49 49 LEU HD2 H 1.20 0.01 2 520 49 49 LEU C C 180.1 0.1 1 521 49 49 LEU CA C 57.4 0.1 1 522 49 49 LEU CB C 43.5 0.1 1 523 49 49 LEU CG C 17.2 0.1 1 524 49 49 LEU CD2 C 24.7 0.1 1 525 49 49 LEU N N 116.0 0.1 1 526 50 50 SER H H 8.03 0.01 1 527 50 50 SER HA H 3.87 0.01 1 528 50 50 SER HB2 H 4.12 0.01 1 529 50 50 SER HB3 H 4.12 0.01 1 530 50 50 SER C C 175.1 0.1 1 531 50 50 SER CA C 62.8 0.1 1 532 50 50 SER CB C 62.7 0.1 1 533 50 50 SER N N 113.9 0.1 1 534 51 51 GLN H H 6.77 0.01 1 535 51 51 GLN HA H 4.02 0.01 1 536 51 51 GLN HB2 H 1.59 0.01 1 537 51 51 GLN HB3 H 1.59 0.01 1 538 51 51 GLN HG2 H 1.95 0.01 2 539 51 51 GLN HG3 H 1.46 0.01 2 540 51 51 GLN HE21 H 7.60 0.01 2 541 51 51 GLN HE22 H 6.69 0.01 2 542 51 51 GLN C C 176.1 0.1 1 543 51 51 GLN CA C 57.2 0.1 1 544 51 51 GLN CB C 29.0 0.1 1 545 51 51 GLN CG C 33.2 0.1 1 546 51 51 GLN N N 115.5 0.1 1 547 51 51 GLN NE2 N 110.0 0.1 1 548 52 52 PHE H H 7.67 0.01 1 549 52 52 PHE HA H 4.60 0.01 1 550 52 52 PHE HB2 H 3.38 0.01 2 551 52 52 PHE HB3 H 2.60 0.01 2 552 52 52 PHE HD1 H 7.38 0.01 1 553 52 52 PHE HD2 H 7.38 0.01 1 554 52 52 PHE C C 174.9 0.1 1 555 52 52 PHE CA C 57.4 0.1 1 556 52 52 PHE CB C 39.1 0.1 1 557 52 52 PHE CD1 C 132.3 0.1 1 558 52 52 PHE N N 114.5 0.1 1 559 53 53 HIS H H 7.29 0.01 1 560 53 53 HIS HA H 4.71 0.01 1 561 53 53 HIS HB2 H 3.44 0.01 2 562 53 53 HIS HB3 H 2.74 0.01 2 563 53 53 HIS HD2 H 7.24 0.01 1 564 53 53 HIS HE1 H 7.37 0.01 1 565 53 53 HIS C C 174.6 0.1 1 566 53 53 HIS CA C 56.4 0.1 1 567 53 53 HIS CB C 34.4 0.1 1 568 53 53 HIS CD2 C 121.3 0.1 1 569 53 53 HIS N N 116.1 0.1 1 570 54 54 SER H H 9.19 0.01 1 571 54 54 SER HA H 4.43 0.01 1 572 54 54 SER HB2 H 4.24 0.01 2 573 54 54 SER HB3 H 4.10 0.01 2 574 54 54 SER C C 174.1 0.1 1 575 54 54 SER CA C 58.1 0.1 1 576 54 54 SER CB C 64.2 0.1 1 577 54 54 SER N N 114.1 0.1 1 578 55 55 ILE H H 8.45 0.01 1 579 55 55 ILE HA H 3.78 0.01 1 580 55 55 ILE HB H 1.86 0.01 1 581 55 55 ILE HG12 H 1.66 0.01 2 582 55 55 ILE HG13 H 1.21 0.01 2 583 55 55 ILE HG2 H 0.97 0.01 1 584 55 55 ILE HD1 H 0.93 0.01 1 585 55 55 ILE C C 177.4 0.1 1 586 55 55 ILE CA C 65.9 0.1 1 587 55 55 ILE CB C 38.0 0.1 1 588 55 55 ILE CG1 C 29.1 0.1 1 589 55 55 ILE CG2 C 17.5 0.1 1 590 55 55 ILE CD1 C 13.3 0.1 1 591 55 55 ILE N N 118.1 0.1 1 592 56 56 SER H H 8.36 0.01 1 593 56 56 SER HA H 4.08 0.01 1 594 56 56 SER HB2 H 3.84 0.01 1 595 56 56 SER HB3 H 3.84 0.01 1 596 56 56 SER C C 177.6 0.1 1 597 56 56 SER CA C 62.0 0.1 1 598 56 56 SER CB C 62.4 0.1 1 599 56 56 SER N N 110.8 0.1 1 600 57 57 ASP H H 7.51 0.01 1 601 57 57 ASP HA H 4.41 0.01 1 602 57 57 ASP HB2 H 2.85 0.01 2 603 57 57 ASP HB3 H 2.46 0.01 2 604 57 57 ASP C C 178.3 0.1 1 605 57 57 ASP CA C 57.0 0.1 1 606 57 57 ASP CB C 40.6 0.1 1 607 57 57 ASP N N 120.2 0.1 1 608 58 58 ALA H H 9.52 0.01 1 609 58 58 ALA HA H 3.84 0.01 1 610 58 58 ALA HB H 1.47 0.01 1 611 58 58 ALA C C 179.7 0.1 1 612 58 58 ALA CA C 55.7 0.1 1 613 58 58 ALA CB C 19.6 0.1 1 614 58 58 ALA N N 122.2 0.1 1 615 59 59 LYS H H 8.23 0.01 1 616 59 59 LYS HA H 3.69 0.01 1 617 59 59 LYS HB2 H 1.84 0.01 1 618 59 59 LYS HB3 H 1.84 0.01 1 619 59 59 LYS HG2 H 1.73 0.01 2 620 59 59 LYS HG3 H 0.68 0.01 2 621 59 59 LYS HD2 H 1.45 0.01 2 622 59 59 LYS HD3 H 1.35 0.01 2 623 59 59 LYS HE2 H 2.38 0.01 1 624 59 59 LYS HE3 H 2.38 0.01 1 625 59 59 LYS C C 178.7 0.1 1 626 59 59 LYS CA C 61.3 0.1 1 627 59 59 LYS CB C 32.5 0.1 1 628 59 59 LYS CG C 27.4 0.1 1 629 59 59 LYS CD C 29.3 0.1 1 630 59 59 LYS CE C 41.7 0.1 1 631 59 59 LYS N N 113.4 0.1 1 632 60 60 GLN H H 7.19 0.01 1 633 60 60 GLN HA H 4.07 0.01 1 634 60 60 GLN HB2 H 2.16 0.01 1 635 60 60 GLN HB3 H 2.16 0.01 1 636 60 60 GLN HG2 H 2.46 0.01 2 637 60 60 GLN HG3 H 2.34 0.01 2 638 60 60 GLN HE21 H 7.46 0.01 2 639 60 60 GLN HE22 H 6.68 0.01 2 640 60 60 GLN C C 178.6 0.1 1 641 60 60 GLN CA C 59.0 0.1 1 642 60 60 GLN CB C 28.3 0.1 1 643 60 60 GLN CG C 34.0 0.1 1 644 60 60 GLN N N 114.9 0.1 1 645 60 60 GLN NE2 N 110.4 0.1 1 646 61 61 MET H H 8.04 0.01 1 647 61 61 MET HA H 3.95 0.01 1 648 61 61 MET HB2 H 2.54 0.01 2 649 61 61 MET HB3 H 2.27 0.01 2 650 61 61 MET HG2 H 1.91 0.01 1 651 61 61 MET HG3 H 1.91 0.01 1 652 61 61 MET HE H 1.68 0.01 1 653 61 61 MET C C 178.0 0.1 1 654 61 61 MET CA C 59.5 0.1 1 655 61 61 MET CB C 33.4 0.1 1 656 61 61 MET CE C 17.2 0.1 1 657 61 61 MET N N 118.7 0.1 1 658 62 62 ILE H H 8.50 0.01 1 659 62 62 ILE HA H 3.34 0.01 1 660 62 62 ILE HB H 1.71 0.01 1 661 62 62 ILE HG12 H 1.86 0.01 2 662 62 62 ILE HG13 H 0.75 0.01 2 663 62 62 ILE HG2 H 0.60 0.01 1 664 62 62 ILE HD1 H 0.64 0.01 1 665 62 62 ILE C C 177.6 0.1 1 666 62 62 ILE CA C 65.7 0.1 1 667 62 62 ILE CB C 37.9 0.1 1 668 62 62 ILE CG1 C 29.7 0.1 1 669 62 62 ILE CG2 C 19.0 0.1 1 670 62 62 ILE CD1 C 14.5 0.1 1 671 62 62 ILE N N 118.1 0.1 1 672 63 63 GLN H H 7.82 0.01 1 673 63 63 GLN HA H 3.69 0.01 1 674 63 63 GLN HB2 H 2.16 0.01 2 675 63 63 GLN HB3 H 1.98 0.01 2 676 63 63 GLN HG2 H 2.44 0.01 2 677 63 63 GLN HG3 H 2.15 0.01 2 678 63 63 GLN HE21 H 6.67 0.01 2 679 63 63 GLN HE22 H 6.62 0.01 2 680 63 63 GLN CA C 59.3 0.1 1 681 63 63 GLN CB C 28.0 0.1 1 682 63 63 GLN CG C 34.4 0.1 1 683 63 63 GLN N N 115.7 0.1 1 684 63 63 GLN NE2 N 108.7 0.1 1 685 64 64 GLU H H 8.08 0.01 1 686 64 64 GLU HA H 3.73 0.01 1 687 64 64 GLU HB2 H 1.93 0.01 2 688 64 64 GLU HB3 H 1.85 0.01 2 689 64 64 GLU HG2 H 1.98 0.01 2 690 64 64 GLU HG3 H 1.70 0.01 2 691 64 64 GLU C C 179.5 0.1 1 692 64 64 GLU CA C 59.2 0.1 1 693 64 64 GLU CB C 29.0 0.1 1 694 64 64 GLU CG C 36.2 0.1 1 695 64 64 GLU N N 118.6 0.1 1 696 65 65 ALA H H 8.44 0.01 1 697 65 65 ALA HA H 3.22 0.01 1 698 65 65 ALA HB H 1.37 0.01 1 699 65 65 ALA C C 178.2 0.1 1 700 65 65 ALA CA C 55.8 0.1 1 701 65 65 ALA CB C 18.0 0.1 1 702 65 65 ALA N N 122.2 0.1 1 703 66 66 ILE H H 7.86 0.01 1 704 66 66 ILE HA H 3.36 0.01 1 705 66 66 ILE HB H 1.70 0.01 1 706 66 66 ILE HG12 H 1.53 0.01 2 707 66 66 ILE HG13 H 0.22 0.01 2 708 66 66 ILE HG2 H 0.60 0.01 1 709 66 66 ILE HD1 H -0.11 0.01 1 710 66 66 ILE C C 177.4 0.1 1 711 66 66 ILE CA C 67.2 0.1 1 712 66 66 ILE CB C 37.9 0.1 1 713 66 66 ILE CG1 C 31.6 0.1 1 714 66 66 ILE CG2 C 16.8 0.1 1 715 66 66 ILE CD1 C 12.3 0.1 1 716 66 66 ILE N N 114.0 0.1 1 717 67 67 THR H H 7.36 0.01 1 718 67 67 THR HA H 4.14 0.01 1 719 67 67 THR HB H 4.08 0.01 1 720 67 67 THR HG2 H 1.21 0.01 1 721 67 67 THR C C 177.4 0.1 1 722 67 67 THR CA C 65.6 0.1 1 723 67 67 THR CB C 68.6 0.1 1 724 67 67 THR CG2 C 22.2 0.1 1 725 67 67 THR N N 107.7 0.1 1 726 68 68 LYS H H 7.25 0.01 1 727 68 68 LYS HA H 3.80 0.01 1 728 68 68 LYS HB2 H 1.64 0.01 1 729 68 68 LYS HB3 H 1.64 0.01 1 730 68 68 LYS HG2 H 0.86 0.01 2 731 68 68 LYS HG3 H 0.00 0.01 2 732 68 68 LYS HD2 H 0.10 0.01 2 733 68 68 LYS HD3 H 0.62 0.01 2 734 68 68 LYS HE2 H 0.11 0.01 2 735 68 68 LYS HE3 H 1.30 0.01 2 736 68 68 LYS C C 178.7 0.1 1 737 68 68 LYS CA C 57.4 0.1 1 738 68 68 LYS CB C 29.1 0.1 1 739 68 68 LYS CG C 23.4 0.1 1 740 68 68 LYS CD C 26.1 0.1 1 741 68 68 LYS CE C 41.0 0.1 1 742 68 68 LYS N N 119.1 0.1 1 743 69 69 PHE H H 7.53 0.01 1 744 69 69 PHE HA H 4.34 0.01 1 745 69 69 PHE HB2 H 3.19 0.01 2 746 69 69 PHE HB3 H 2.85 0.01 2 747 69 69 PHE HD1 H 6.93 0.01 1 748 69 69 PHE HD2 H 6.93 0.01 1 749 69 69 PHE HE1 H 6.74 0.01 1 750 69 69 PHE HE2 H 6.74 0.01 1 751 69 69 PHE HZ H 7.34 0.01 1 752 69 69 PHE C C 178.3 0.1 1 753 69 69 PHE CA C 59.5 0.1 1 754 69 69 PHE CB C 39.2 0.1 1 755 69 69 PHE CD1 C 129.6 0.1 1 756 69 69 PHE CE1 C 128.9 0.1 1 757 69 69 PHE N N 115.9 0.1 1 758 70 70 GLU H H 8.81 0.01 1 759 70 70 GLU HA H 3.86 0.01 1 760 70 70 GLU HB2 H 2.12 0.01 2 761 70 70 GLU HB3 H 1.82 0.01 2 762 70 70 GLU HG2 H 2.49 0.01 2 763 70 70 GLU HG3 H 2.02 0.01 2 764 70 70 GLU C C 179.7 0.1 1 765 70 70 GLU CA C 59.8 0.1 1 766 70 70 GLU CB C 29.9 0.1 1 767 70 70 GLU CG C 37.6 0.1 1 768 70 70 GLU N N 114.6 0.1 1 769 71 71 GLU H H 7.91 0.01 1 770 71 71 GLU HA H 3.97 0.01 1 771 71 71 GLU HB2 H 2.14 0.01 1 772 71 71 GLU HB3 H 2.14 0.01 1 773 71 71 GLU HG2 H 2.43 0.01 2 774 71 71 GLU HG3 H 2.35 0.01 2 775 71 71 GLU C C 179.1 0.1 1 776 71 71 GLU CA C 59.9 0.1 1 777 71 71 GLU CB C 29.5 0.1 1 778 71 71 GLU CG C 36.3 0.1 1 779 71 71 GLU N N 119.4 0.1 1 780 72 72 ALA H H 8.21 0.01 1 781 72 72 ALA HA H 4.00 0.01 1 782 72 72 ALA HB H 1.66 0.01 1 783 72 72 ALA C C 179.1 0.1 1 784 72 72 ALA CA C 55.8 0.1 1 785 72 72 ALA CB C 18.4 0.1 1 786 72 72 ALA N N 119.4 0.1 1 787 73 73 LEU H H 7.75 0.01 1 788 73 73 LEU HA H 4.29 0.01 1 789 73 73 LEU HB2 H 1.80 0.01 2 790 73 73 LEU HB3 H 1.41 0.01 2 791 73 73 LEU HG H 1.72 0.01 1 792 73 73 LEU HD1 H 0.78 0.01 2 793 73 73 LEU HD2 H 1.00 0.01 2 794 73 73 LEU C C 179.2 0.1 1 795 73 73 LEU CA C 56.2 0.1 1 796 73 73 LEU CB C 42.7 0.1 1 797 73 73 LEU CG C 27.9 0.1 1 798 73 73 LEU CD1 C 26.0 0.1 1 799 73 73 LEU CD2 C 23.7 0.1 1 800 73 73 LEU N N 114.6 0.1 1 801 74 74 LEU H H 7.50 0.01 1 802 74 74 LEU HA H 4.14 0.01 1 803 74 74 LEU HB2 H 1.90 0.01 2 804 74 74 LEU HB3 H 1.63 0.01 2 805 74 74 LEU HG H 1.76 0.01 1 806 74 74 LEU HD1 H 0.90 0.01 2 807 74 74 LEU HD2 H 0.86 0.01 2 808 74 74 LEU C C 179.5 0.1 1 809 74 74 LEU CA C 57.0 0.1 1 810 74 74 LEU CB C 41.9 0.1 1 811 74 74 LEU CG C 26.9 0.1 1 812 74 74 LEU CD1 C 25.1 0.1 1 813 74 74 LEU CD2 C 23.5 0.1 1 814 74 74 LEU N N 117.4 0.1 1 815 75 75 ILE H H 7.26 0.01 1 816 75 75 ILE HA H 3.79 0.01 1 817 75 75 ILE HB H 1.96 0.01 1 818 75 75 ILE HG12 H 1.82 0.01 2 819 75 75 ILE HG13 H 1.06 0.01 2 820 75 75 ILE HG2 H 1.07 0.01 1 821 75 75 ILE HD1 H 0.98 0.01 1 822 75 75 ILE C C 176.8 0.1 1 823 75 75 ILE CA C 63.8 0.1 1 824 75 75 ILE CB C 39.3 0.1 1 825 75 75 ILE CG1 C 28.7 0.1 1 826 75 75 ILE CG2 C 18.0 0.1 1 827 75 75 ILE CD1 C 15.5 0.1 1 828 75 75 ILE N N 117.6 0.1 1 829 76 76 ASP H H 8.48 0.01 1 830 76 76 ASP HA H 5.03 0.01 1 831 76 76 ASP HB2 H 2.82 0.01 2 832 76 76 ASP HB3 H 2.37 0.01 2 833 76 76 ASP C C 174.6 0.1 1 834 76 76 ASP CA C 50.4 0.1 1 835 76 76 ASP CB C 42.0 0.1 1 836 76 76 ASP N N 114.6 0.1 1 837 77 77 PRO HA H 4.67 0.01 1 838 77 77 PRO HB2 H 2.46 0.01 2 839 77 77 PRO HB3 H 1.92 0.01 2 840 77 77 PRO HG2 H 2.09 0.01 2 841 77 77 PRO HG3 H 1.96 0.01 2 842 77 77 PRO HD2 H 3.85 0.01 2 843 77 77 PRO HD3 H 3.49 0.01 2 844 77 77 PRO C C 177.5 0.1 1 845 77 77 PRO CA C 63.9 0.1 1 846 77 77 PRO CB C 32.6 0.1 1 847 77 77 PRO CG C 27.0 0.1 1 848 77 77 PRO CD C 50.4 0.1 1 849 78 78 LYS H H 7.75 0.01 1 850 78 78 LYS HA H 4.42 0.01 1 851 78 78 LYS HB2 H 2.22 0.01 2 852 78 78 LYS HB3 H 1.84 0.01 2 853 78 78 LYS HG2 H 1.50 0.01 2 854 78 78 LYS HG3 H 1.39 0.01 2 855 78 78 LYS HD2 H 1.71 0.01 1 856 78 78 LYS HD3 H 1.71 0.01 1 857 78 78 LYS HE2 H 3.08 0.01 2 858 78 78 LYS HE3 H 3.00 0.01 2 859 78 78 LYS C C 176.3 0.1 1 860 78 78 LYS CA C 54.5 0.1 1 861 78 78 LYS CB C 30.7 0.1 1 862 78 78 LYS CG C 24.6 0.1 1 863 78 78 LYS CD C 28.3 0.1 1 864 78 78 LYS CE C 41.8 0.1 1 865 78 78 LYS N N 113.0 0.1 1 866 79 79 LYS H H 7.40 0.01 1 867 79 79 LYS HA H 4.54 0.01 1 868 79 79 LYS HB2 H 2.26 0.01 1 869 79 79 LYS HB3 H 2.26 0.01 1 870 79 79 LYS HG2 H 1.49 0.01 1 871 79 79 LYS HG3 H 1.49 0.01 1 872 79 79 LYS HD2 H 1.75 0.01 1 873 79 79 LYS HD3 H 1.75 0.01 1 874 79 79 LYS C C 175.5 0.1 1 875 79 79 LYS CA C 54.9 0.1 1 876 79 79 LYS CB C 30.2 0.1 1 877 79 79 LYS CG C 25.8 0.1 1 878 79 79 LYS CD C 29.7 0.1 1 879 79 79 LYS CE C 38.2 0.1 1 880 79 79 LYS N N 120.1 0.1 1 881 80 80 ASP H H 8.67 0.01 1 882 80 80 ASP HA H 4.21 0.01 1 883 80 80 ASP HB2 H 2.80 0.01 2 884 80 80 ASP HB3 H 2.67 0.01 2 885 80 80 ASP C C 176.7 0.1 1 886 80 80 ASP CA C 57.3 0.1 1 887 80 80 ASP CB C 41.3 0.1 1 888 80 80 ASP N N 124.4 0.1 1 889 81 81 GLU H H 9.23 0.01 1 890 81 81 GLU HA H 4.41 0.01 1 891 81 81 GLU HB2 H 2.16 0.01 2 892 81 81 GLU HB3 H 1.89 0.01 2 893 81 81 GLU HG2 H 2.46 0.01 2 894 81 81 GLU HG3 H 2.30 0.01 2 895 81 81 GLU C C 179.1 0.1 1 896 81 81 GLU CA C 59.9 0.1 1 897 81 81 GLU CB C 30.5 0.1 1 898 81 81 GLU CG C 36.5 0.1 1 899 81 81 GLU N N 118.4 0.1 1 900 82 82 ALA H H 7.65 0.01 1 901 82 82 ALA HA H 3.76 0.01 1 902 82 82 ALA HB H 1.65 0.01 1 903 82 82 ALA C C 178.1 0.1 1 904 82 82 ALA CA C 55.2 0.1 1 905 82 82 ALA CB C 17.4 0.1 1 906 82 82 ALA N N 117.4 0.1 1 907 83 83 VAL H H 7.06 0.01 1 908 83 83 VAL HA H 3.44 0.01 1 909 83 83 VAL HB H 2.35 0.01 1 910 83 83 VAL HG1 H 1.11 0.01 2 911 83 83 VAL HG2 H 1.11 0.01 2 912 83 83 VAL C C 177.5 0.1 1 913 83 83 VAL CA C 66.6 0.1 1 914 83 83 VAL CB C 32.2 0.1 1 915 83 83 VAL CG1 C 23.8 0.1 1 916 83 83 VAL N N 115.4 0.1 1 917 84 84 TRP H H 7.96 0.01 1 918 84 84 TRP HA H 3.84 0.01 1 919 84 84 TRP HB2 H 3.32 0.01 2 920 84 84 TRP HB3 H 2.38 0.01 2 921 84 84 TRP HD1 H 7.39 0.01 1 922 84 84 TRP HE1 H 10.46 0.01 1 923 84 84 TRP HE3 H 7.12 0.01 1 924 84 84 TRP HZ2 H 7.45 0.01 1 925 84 84 TRP HZ3 H 7.12 0.01 1 926 84 84 TRP HH2 H 7.84 0.01 1 927 84 84 TRP C C 178.0 0.1 1 928 84 84 TRP CA C 62.0 0.1 1 929 84 84 TRP CB C 28.5 0.1 1 930 84 84 TRP CD1 C 127.9 0.1 1 931 84 84 TRP CE3 C 124.1 0.1 1 932 84 84 TRP CZ2 C 113.8 0.1 1 933 84 84 TRP CZ3 C 122.0 0.1 1 934 84 84 TRP CH2 C 121.9 0.1 1 935 84 84 TRP N N 117.2 0.1 1 936 84 84 TRP NE1 N 127.9 0.1 1 937 85 85 CYS H H 8.26 0.01 1 938 85 85 CYS HA H 3.34 0.01 1 939 85 85 CYS HB2 H 1.72 0.01 2 940 85 85 CYS HB3 H 1.26 0.01 2 941 85 85 CYS C C 176.7 0.1 1 942 85 85 CYS CA C 64.3 0.1 1 943 85 85 CYS CB C 25.4 0.1 1 944 85 85 CYS N N 113.0 0.1 1 945 86 86 ILE H H 7.38 0.01 1 946 86 86 ILE HA H 3.06 0.01 1 947 86 86 ILE HB H 1.37 0.01 1 948 86 86 ILE HG12 H 1.80 0.01 2 949 86 86 ILE HG13 H 0.48 0.01 2 950 86 86 ILE HG2 H -0.21 0.01 1 951 86 86 ILE HD1 H 0.59 0.01 1 952 86 86 ILE C C 177.9 0.1 1 953 86 86 ILE CA C 66.6 0.1 1 954 86 86 ILE CB C 37.4 0.1 1 955 86 86 ILE CG1 C 32.5 0.1 1 956 86 86 ILE CG2 C 17.9 0.1 1 957 86 86 ILE CD1 C 14.3 0.1 1 958 86 86 ILE N N 118.3 0.1 1 959 87 87 GLY H H 7.22 0.01 1 960 87 87 GLY HA2 H 3.21 0.01 2 961 87 87 GLY HA3 H 2.38 0.01 2 962 87 87 GLY C C 176.9 0.1 1 963 87 87 GLY CA C 48.1 0.1 1 964 87 87 GLY N N 104.6 0.1 1 965 88 88 ASN H H 7.75 0.01 1 966 88 88 ASN HA H 4.33 0.01 1 967 88 88 ASN HB2 H 2.40 0.01 2 968 88 88 ASN HB3 H 2.32 0.01 2 969 88 88 ASN C C 177.6 0.1 1 970 88 88 ASN CA C 56.1 0.1 1 971 88 88 ASN CB C 37.3 0.1 1 972 88 88 ASN N N 121.2 0.1 1 973 89 89 ALA H H 8.45 0.01 1 974 89 89 ALA HA H 3.82 0.01 1 975 89 89 ALA HB H 1.25 0.01 1 976 89 89 ALA C C 178.8 0.1 1 977 89 89 ALA CA C 55.4 0.1 1 978 89 89 ALA CB C 19.3 0.1 1 979 89 89 ALA N N 123.7 0.1 1 980 90 90 TYR H H 8.32 0.01 1 981 90 90 TYR HA H 4.11 0.01 1 982 90 90 TYR HB2 H 3.42 0.01 2 983 90 90 TYR HB3 H 2.36 0.01 2 984 90 90 TYR HD1 H 6.96 0.01 1 985 90 90 TYR HD2 H 6.96 0.01 1 986 90 90 TYR HE1 H 6.36 0.01 1 987 90 90 TYR HE2 H 6.36 0.01 1 988 90 90 TYR C C 178.7 0.1 1 989 90 90 TYR CA C 64.0 0.1 1 990 90 90 TYR CB C 38.2 0.1 1 991 90 90 TYR CD1 C 132.7 0.1 1 992 90 90 TYR CE1 C 118.3 0.1 1 993 90 90 TYR N N 114.5 0.1 1 994 91 91 THR H H 7.91 0.01 1 995 91 91 THR HA H 3.76 0.01 1 996 91 91 THR HB H 4.61 0.01 1 997 91 91 THR HG2 H 1.53 0.01 1 998 91 91 THR C C 175.5 0.1 1 999 91 91 THR CA C 68.4 0.1 1 1000 91 91 THR CB C 68.5 0.1 1 1001 91 91 THR CG2 C 21.7 0.1 1 1002 91 91 THR N N 114.4 0.1 1 1003 92 92 SER H H 8.20 0.01 1 1004 92 92 SER HA H 4.30 0.01 1 1005 92 92 SER HB2 H 4.02 0.01 2 1006 92 92 SER HB3 H 3.82 0.01 2 1007 92 92 SER CA C 63.0 0.1 1 1008 92 92 SER CB C 62.8 0.1 1 1009 92 92 SER N N 115.2 0.1 1 1010 93 93 PHE H H 8.55 0.01 1 1011 93 93 PHE HA H 3.80 0.01 1 1012 93 93 PHE HB2 H 3.15 0.01 2 1013 93 93 PHE HB3 H 3.05 0.01 2 1014 93 93 PHE HD1 H 6.88 0.01 1 1015 93 93 PHE HD2 H 6.88 0.01 1 1016 93 93 PHE HE1 H 7.27 0.01 1 1017 93 93 PHE HE2 H 7.27 0.01 1 1018 93 93 PHE HZ H 7.20 0.01 1 1019 93 93 PHE C C 179.0 0.1 1 1020 93 93 PHE CA C 61.3 0.1 1 1021 93 93 PHE CB C 39.6 0.1 1 1022 93 93 PHE CD1 C 131.1 0.1 1 1023 93 93 PHE CE1 C 131.4 0.1 1 1024 93 93 PHE N N 119.3 0.1 1 1025 94 94 ALA H H 8.21 0.01 1 1026 94 94 ALA HA H 3.51 0.01 1 1027 94 94 ALA HB H 0.44 0.01 1 1028 94 94 ALA C C 179.4 0.1 1 1029 94 94 ALA CA C 55.8 0.1 1 1030 94 94 ALA CB C 18.0 0.1 1 1031 94 94 ALA N N 120.1 0.1 1 1032 95 95 PHE H H 7.72 0.01 1 1033 95 95 PHE HA H 4.50 0.01 1 1034 95 95 PHE HB2 H 3.35 0.01 2 1035 95 95 PHE HB3 H 2.98 0.01 2 1036 95 95 PHE HD1 H 7.52 0.01 1 1037 95 95 PHE HD2 H 7.52 0.01 1 1038 95 95 PHE HE1 H 7.30 0.01 1 1039 95 95 PHE HE2 H 7.30 0.01 1 1040 95 95 PHE HZ H 7.65 0.01 1 1041 95 95 PHE C C 177.2 0.1 1 1042 95 95 PHE CA C 62.4 0.1 1 1043 95 95 PHE CB C 39.0 0.1 1 1044 95 95 PHE CD1 C 132.0 0.1 1 1045 95 95 PHE CE1 C 130.4 0.1 1 1046 95 95 PHE N N 109.4 0.1 1 1047 96 96 LEU H H 7.57 0.01 1 1048 96 96 LEU HA H 4.35 0.01 1 1049 96 96 LEU HB2 H 1.58 0.01 1 1050 96 96 LEU HB3 H 1.58 0.01 1 1051 96 96 LEU HG H 1.77 0.01 1 1052 96 96 LEU HD1 H 0.67 0.01 2 1053 96 96 LEU HD2 H 0.75 0.01 2 1054 96 96 LEU C C 175.3 0.1 1 1055 96 96 LEU CA C 55.0 0.1 1 1056 96 96 LEU CB C 42.3 0.1 1 1057 96 96 LEU CD1 C 26.5 0.1 1 1058 96 96 LEU CD2 C 22.7 0.1 1 1059 96 96 LEU N N 118.2 0.1 1 1060 97 97 THR H H 7.41 0.01 1 1061 97 97 THR HA H 4.64 0.01 1 1062 97 97 THR HB H 4.13 0.01 1 1063 97 97 THR HG2 H 1.14 0.01 1 1064 97 97 THR CA C 58.0 0.1 1 1065 97 97 THR CB C 70.5 0.1 1 1066 97 97 THR CG2 C 20.7 0.1 1 1067 97 97 THR N N 114.4 0.1 1 1068 98 98 PRO HA H 3.08 0.01 1 1069 98 98 PRO HB2 H 1.73 0.01 2 1070 98 98 PRO HB3 H 1.88 0.01 2 1071 98 98 PRO HG2 H 1.86 0.01 1 1072 98 98 PRO HG3 H 1.86 0.01 1 1073 98 98 PRO HD2 H 3.84 0.01 2 1074 98 98 PRO HD3 H 3.67 0.01 2 1075 98 98 PRO C C 176.7 0.1 1 1076 98 98 PRO CA C 63.3 0.1 1 1077 98 98 PRO CB C 32.3 0.1 1 1078 98 98 PRO CG C 26.7 0.1 1 1079 98 98 PRO CD C 50.9 0.1 1 1080 99 99 ASP H H 7.39 0.01 1 1081 99 99 ASP HA H 4.36 0.01 1 1082 99 99 ASP HB2 H 2.59 0.01 2 1083 99 99 ASP HB3 H 2.52 0.01 2 1084 99 99 ASP C C 176.2 0.1 1 1085 99 99 ASP CA C 54.7 0.1 1 1086 99 99 ASP CB C 43.0 0.1 1 1087 99 99 ASP N N 115.6 0.1 1 1088 100 100 GLU H H 8.96 0.01 1 1089 100 100 GLU HA H 3.70 0.01 1 1090 100 100 GLU HB2 H 2.08 0.01 1 1091 100 100 GLU HB3 H 2.08 0.01 1 1092 100 100 GLU HG2 H 2.38 0.01 2 1093 100 100 GLU HG3 H 2.29 0.01 2 1094 100 100 GLU C C 178.3 0.1 1 1095 100 100 GLU CA C 60.1 0.1 1 1096 100 100 GLU CB C 29.9 0.1 1 1097 100 100 GLU CG C 36.4 0.1 1 1098 100 100 GLU N N 124.6 0.1 1 1099 101 101 THR H H 8.07 0.01 1 1100 101 101 THR HA H 3.88 0.01 1 1101 101 101 THR HB H 4.27 0.01 1 1102 101 101 THR HG2 H 1.14 0.01 1 1103 101 101 THR C C 176.7 0.1 1 1104 101 101 THR CA C 66.5 0.1 1 1105 101 101 THR CB C 67.8 0.1 1 1106 101 101 THR CG2 C 21.8 0.1 1 1107 101 101 THR N N 115.6 0.1 1 1108 102 102 GLU H H 8.40 0.01 1 1109 102 102 GLU HA H 4.03 0.01 1 1110 102 102 GLU HB2 H 1.92 0.01 1 1111 102 102 GLU HB3 H 1.92 0.01 1 1112 102 102 GLU HG2 H 2.29 0.01 2 1113 102 102 GLU HG3 H 2.10 0.01 2 1114 102 102 GLU C C 180.0 0.1 1 1115 102 102 GLU CA C 58.8 0.1 1 1116 102 102 GLU CB C 29.6 0.1 1 1117 102 102 GLU CG C 36.3 0.1 1 1118 102 102 GLU N N 122.7 0.1 1 1119 103 103 ALA H H 8.84 0.01 1 1120 103 103 ALA HA H 3.52 0.01 1 1121 103 103 ALA HB H 0.84 0.01 1 1122 103 103 ALA C C 178.4 0.1 1 1123 103 103 ALA CA C 56.3 0.1 1 1124 103 103 ALA CB C 16.9 0.1 1 1125 103 103 ALA N N 121.6 0.1 1 1126 104 104 LYS H H 7.93 0.01 1 1127 104 104 LYS HA H 4.03 0.01 1 1128 104 104 LYS HB2 H 2.00 0.01 1 1129 104 104 LYS HB3 H 2.00 0.01 1 1130 104 104 LYS HG2 H 1.54 0.01 2 1131 104 104 LYS HG3 H 1.44 0.01 2 1132 104 104 LYS HD2 H 1.81 0.01 1 1133 104 104 LYS HD3 H 1.81 0.01 1 1134 104 104 LYS HE2 H 2.99 0.01 1 1135 104 104 LYS HE3 H 2.99 0.01 1 1136 104 104 LYS C C 177.7 0.1 1 1137 104 104 LYS CA C 59.8 0.1 1 1138 104 104 LYS CB C 31.9 0.1 1 1139 104 104 LYS CG C 25.2 0.1 1 1140 104 104 LYS CE C 42.3 0.1 1 1141 104 104 LYS N N 115.7 0.1 1 1142 105 105 HIS H H 7.66 0.01 1 1143 105 105 HIS HA H 4.33 0.01 1 1144 105 105 HIS HB2 H 3.24 0.01 2 1145 105 105 HIS HB3 H 3.14 0.01 2 1146 105 105 HIS HD2 H 6.77 0.01 1 1147 105 105 HIS C C 177.4 0.1 1 1148 105 105 HIS CA C 59.4 0.1 1 1149 105 105 HIS CB C 29.8 0.1 1 1150 105 105 HIS CD2 C 119.5 0.1 1 1151 105 105 HIS N N 114.9 0.1 1 1152 106 106 ASN H H 7.36 0.01 1 1153 106 106 ASN HA H 4.20 0.01 1 1154 106 106 ASN HB2 H 2.88 0.01 2 1155 106 106 ASN HB3 H 2.45 0.01 2 1156 106 106 ASN HD21 H 6.87 0.01 2 1157 106 106 ASN HD22 H 7.18 0.01 2 1158 106 106 ASN C C 177.2 0.1 1 1159 106 106 ASN CA C 57.5 0.1 1 1160 106 106 ASN CB C 40.3 0.1 1 1161 106 106 ASN N N 114.5 0.1 1 1162 106 106 ASN ND2 N 109.3 0.1 1 1163 107 107 PHE H H 9.08 0.01 1 1164 107 107 PHE HA H 4.45 0.01 1 1165 107 107 PHE HB2 H 3.32 0.01 2 1166 107 107 PHE HB3 H 3.00 0.01 2 1167 107 107 PHE HD1 H 6.95 0.01 1 1168 107 107 PHE HD2 H 6.95 0.01 1 1169 107 107 PHE C C 178.9 0.1 1 1170 107 107 PHE CA C 60.5 0.1 1 1171 107 107 PHE CB C 37.8 0.1 1 1172 107 107 PHE CD1 C 130.9 0.1 1 1173 107 107 PHE N N 119.1 0.1 1 1174 108 108 ASP H H 8.93 0.01 1 1175 108 108 ASP HA H 4.37 0.01 1 1176 108 108 ASP HB2 H 2.81 0.01 2 1177 108 108 ASP HB3 H 2.52 0.01 2 1178 108 108 ASP C C 179.6 0.1 1 1179 108 108 ASP CA C 57.6 0.1 1 1180 108 108 ASP CB C 39.3 0.1 1 1181 108 108 ASP N N 120.0 0.1 1 1182 109 109 LEU H H 7.31 0.01 1 1183 109 109 LEU HA H 3.77 0.01 1 1184 109 109 LEU HB2 H 1.12 0.01 2 1185 109 109 LEU HB3 H 0.32 0.01 2 1186 109 109 LEU HG H 1.08 0.01 1 1187 109 109 LEU HD1 H 0.22 0.01 2 1188 109 109 LEU HD2 H 0.47 0.01 2 1189 109 109 LEU C C 178.6 0.1 1 1190 109 109 LEU CA C 58.0 0.1 1 1191 109 109 LEU CB C 40.9 0.1 1 1192 109 109 LEU CG C 26.8 0.1 1 1193 109 109 LEU CD1 C 25.1 0.1 1 1194 109 109 LEU CD2 C 22.9 0.1 1 1195 109 109 LEU N N 120.5 0.1 1 1196 110 110 ALA H H 8.32 0.01 1 1197 110 110 ALA HA H 3.80 0.01 1 1198 110 110 ALA HB H 1.54 0.01 1 1199 110 110 ALA C C 178.7 0.1 1 1200 110 110 ALA CA C 56.2 0.1 1 1201 110 110 ALA CB C 18.6 0.1 1 1202 110 110 ALA N N 118.6 0.1 1 1203 111 111 THR H H 8.47 0.01 1 1204 111 111 THR HA H 3.86 0.01 1 1205 111 111 THR HB H 4.36 0.01 1 1206 111 111 THR HG1 H 5.14 0.01 1 1207 111 111 THR HG2 H 1.24 0.01 1 1208 111 111 THR C C 175.2 0.1 1 1209 111 111 THR CA C 67.8 0.1 1 1210 111 111 THR CB C 68.8 0.1 1 1211 111 111 THR CG2 C 21.8 0.1 1 1212 111 111 THR N N 110.7 0.1 1 1213 112 112 GLN H H 7.49 0.01 1 1214 112 112 GLN HA H 3.90 0.01 1 1215 112 112 GLN HB2 H 2.00 0.01 2 1216 112 112 GLN HB3 H 1.94 0.01 2 1217 112 112 GLN HG2 H 2.22 0.01 2 1218 112 112 GLN HG3 H 1.98 0.01 2 1219 112 112 GLN HE21 H 6.84 0.01 2 1220 112 112 GLN HE22 H 6.53 0.01 2 1221 112 112 GLN C C 179.4 0.1 1 1222 112 112 GLN CA C 59.3 0.1 1 1223 112 112 GLN CB C 28.4 0.1 1 1224 112 112 GLN CG C 33.7 0.1 1 1225 112 112 GLN N N 117.5 0.1 1 1226 112 112 GLN NE2 N 108.6 0.1 1 1227 113 113 PHE H H 7.79 0.01 1 1228 113 113 PHE HA H 3.98 0.01 1 1229 113 113 PHE HB2 H 2.37 0.01 2 1230 113 113 PHE HB3 H 3.19 0.01 2 1231 113 113 PHE HD1 H 7.34 0.01 1 1232 113 113 PHE HD2 H 7.34 0.01 1 1233 113 113 PHE HE1 H 7.17 0.01 1 1234 113 113 PHE HE2 H 7.17 0.01 1 1235 113 113 PHE C C 178.0 0.1 1 1236 113 113 PHE CA C 63.2 0.1 1 1237 113 113 PHE CB C 38.0 0.1 1 1238 113 113 PHE CD1 C 132.0 0.1 1 1239 113 113 PHE CE1 C 131.9 0.1 1 1240 113 113 PHE N N 117.1 0.1 1 1241 114 114 PHE H H 9.11 0.01 1 1242 114 114 PHE HA H 4.78 0.01 1 1243 114 114 PHE HB2 H 3.15 0.01 2 1244 114 114 PHE HB3 H 3.04 0.01 2 1245 114 114 PHE HD1 H 7.12 0.01 1 1246 114 114 PHE HD2 H 7.12 0.01 1 1247 114 114 PHE HE1 H 7.11 0.01 1 1248 114 114 PHE HE2 H 7.11 0.01 1 1249 114 114 PHE C C 179.7 0.1 1 1250 114 114 PHE CA C 58.8 0.1 1 1251 114 114 PHE CB C 38.1 0.1 1 1252 114 114 PHE CE1 C 130.3 0.1 1 1253 114 114 PHE N N 116.4 0.1 1 1254 115 115 GLN H H 9.05 0.01 1 1255 115 115 GLN HA H 3.95 0.01 1 1256 115 115 GLN HB2 H 2.23 0.01 2 1257 115 115 GLN HB3 H 2.11 0.01 2 1258 115 115 GLN HG2 H 2.25 0.01 1 1259 115 115 GLN HG3 H 2.25 0.01 1 1260 115 115 GLN HE21 H 7.51 0.01 2 1261 115 115 GLN HE22 H 6.78 0.01 2 1262 115 115 GLN C C 177.1 0.1 1 1263 115 115 GLN CA C 58.5 0.1 1 1264 115 115 GLN CB C 28.7 0.1 1 1265 115 115 GLN CG C 34.1 0.1 1 1266 115 115 GLN N N 117.7 0.1 1 1267 115 115 GLN NE2 N 112.8 0.1 1 1268 116 116 GLN H H 7.67 0.01 1 1269 116 116 GLN HA H 4.07 0.01 1 1270 116 116 GLN HB2 H 2.10 0.01 1 1271 116 116 GLN HB3 H 2.10 0.01 1 1272 116 116 GLN HG2 H 2.52 0.01 2 1273 116 116 GLN HG3 H 2.26 0.01 2 1274 116 116 GLN HE21 H 6.43 0.01 2 1275 116 116 GLN HE22 H 7.39 0.01 2 1276 116 116 GLN C C 178.1 0.1 1 1277 116 116 GLN CA C 59.1 0.1 1 1278 116 116 GLN CB C 27.9 0.1 1 1279 116 116 GLN CG C 33.7 0.1 1 1280 116 116 GLN N N 117.7 0.1 1 1281 116 116 GLN NE2 N 107.8 0.1 1 1282 117 117 ALA H H 8.14 0.01 1 1283 117 117 ALA HA H 3.81 0.01 1 1284 117 117 ALA HB H 1.07 0.01 1 1285 117 117 ALA C C 178.8 0.1 1 1286 117 117 ALA CA C 56.1 0.1 1 1287 117 117 ALA CB C 16.1 0.1 1 1288 117 117 ALA N N 119.7 0.1 1 1289 118 118 VAL H H 7.70 0.01 1 1290 118 118 VAL HA H 3.68 0.01 1 1291 118 118 VAL HB H 2.14 0.01 1 1292 118 118 VAL HG1 H 1.05 0.01 2 1293 118 118 VAL HG2 H 0.94 0.01 2 1294 118 118 VAL C C 177.0 0.1 1 1295 118 118 VAL CA C 66.0 0.1 1 1296 118 118 VAL CB C 31.9 0.1 1 1297 118 118 VAL CG1 C 25.2 0.1 1 1298 118 118 VAL CG2 C 21.6 0.1 1 1299 118 118 VAL N N 115.7 0.1 1 1300 119 119 ASP H H 8.38 0.01 1 1301 119 119 ASP HA H 4.26 0.01 1 1302 119 119 ASP HB2 H 2.88 0.01 2 1303 119 119 ASP HB3 H 2.58 0.01 2 1304 119 119 ASP C C 179.4 0.1 1 1305 119 119 ASP CA C 57.0 0.1 1 1306 119 119 ASP CB C 40.2 0.1 1 1307 119 119 ASP N N 115.5 0.1 1 1308 120 120 GLU H H 7.67 0.01 1 1309 120 120 GLU HA H 4.25 0.01 1 1310 120 120 GLU HB2 H 2.32 0.01 2 1311 120 120 GLU HB3 H 2.18 0.01 2 1312 120 120 GLU HG2 H 2.58 0.01 2 1313 120 120 GLU HG3 H 2.42 0.01 2 1314 120 120 GLU C C 177.6 0.1 1 1315 120 120 GLU CA C 57.7 0.1 1 1316 120 120 GLU CB C 30.7 0.1 1 1317 120 120 GLU CG C 35.9 0.1 1 1318 120 120 GLU N N 114.6 0.1 1 1319 121 121 GLN H H 7.98 0.01 1 1320 121 121 GLN HA H 4.90 0.01 1 1321 121 121 GLN HB2 H 2.16 0.01 2 1322 121 121 GLN HB3 H 2.09 0.01 2 1323 121 121 GLN HG2 H 2.62 0.01 2 1324 121 121 GLN HG3 H 2.25 0.01 2 1325 121 121 GLN HE21 H 6.80 0.01 2 1326 121 121 GLN HE22 H 7.93 0.01 2 1327 121 121 GLN CA C 52.7 0.1 1 1328 121 121 GLN CB C 29.6 0.1 1 1329 121 121 GLN CG C 32.7 0.1 1 1330 121 121 GLN N N 115.5 0.1 1 1331 121 121 GLN NE2 N 110.8 0.1 1 1332 122 122 PRO HA H 4.68 0.01 1 1333 122 122 PRO HB2 H 2.36 0.01 2 1334 122 122 PRO HB3 H 1.88 0.01 2 1335 122 122 PRO HG2 H 2.01 0.01 2 1336 122 122 PRO HG3 H 1.82 0.01 2 1337 122 122 PRO HD2 H 3.62 0.01 2 1338 122 122 PRO HD3 H 3.41 0.01 2 1339 122 122 PRO C C 176.9 0.1 1 1340 122 122 PRO CA C 64.8 0.1 1 1341 122 122 PRO CB C 32.3 0.1 1 1342 122 122 PRO CG C 27.0 0.1 1 1343 122 122 PRO CD C 50.3 0.1 1 1344 123 123 ASP H H 8.05 0.01 1 1345 123 123 ASP HA H 4.70 0.01 1 1346 123 123 ASP HB2 H 2.64 0.01 2 1347 123 123 ASP HB3 H 2.56 0.01 2 1348 123 123 ASP C C 176.2 0.1 1 1349 123 123 ASP CA C 52.8 0.1 1 1350 123 123 ASP CB C 41.1 0.1 1 1351 123 123 ASP N N 112.0 0.1 1 1352 124 124 ASN H H 7.63 0.01 1 1353 124 124 ASN HA H 4.34 0.01 1 1354 124 124 ASN HB2 H 2.65 0.01 2 1355 124 124 ASN HB3 H 2.21 0.01 2 1356 124 124 ASN HD21 H 6.67 0.01 2 1357 124 124 ASN HD22 H 6.07 0.01 2 1358 124 124 ASN C C 175.8 0.1 1 1359 124 124 ASN CA C 53.7 0.1 1 1360 124 124 ASN CB C 38.3 0.1 1 1361 124 124 ASN N N 118.0 0.1 1 1362 124 124 ASN ND2 N 110.4 0.1 1 1363 125 125 THR H H 8.28 0.01 1 1364 125 125 THR HA H 3.78 0.01 1 1365 125 125 THR HB H 3.95 0.01 1 1366 125 125 THR HG2 H 1.10 0.01 1 1367 125 125 THR C C 176.3 0.1 1 1368 125 125 THR CA C 65.3 0.1 1 1369 125 125 THR CB C 68.4 0.1 1 1370 125 125 THR CG2 C 21.7 0.1 1 1371 125 125 THR N N 118.5 0.1 1 1372 126 126 HIS H H 7.74 0.01 1 1373 126 126 HIS HA H 4.33 0.01 1 1374 126 126 HIS HB2 H 2.78 0.01 1 1375 126 126 HIS HB3 H 2.78 0.01 1 1376 126 126 HIS HD2 H 6.62 0.01 1 1377 126 126 HIS C C 178.4 0.1 1 1378 126 126 HIS CA C 58.7 0.1 1 1379 126 126 HIS CB C 29.3 0.1 1 1380 126 126 HIS CD2 C 119.2 0.1 1 1381 126 126 HIS N N 120.6 0.1 1 1382 127 127 TYR H H 7.77 0.01 1 1383 127 127 TYR HA H 4.40 0.01 1 1384 127 127 TYR HB2 H 3.29 0.01 2 1385 127 127 TYR HB3 H 3.12 0.01 2 1386 127 127 TYR HD1 H 6.19 0.01 1 1387 127 127 TYR HD2 H 6.19 0.01 1 1388 127 127 TYR HE1 H 6.13 0.01 1 1389 127 127 TYR HE2 H 6.13 0.01 1 1390 127 127 TYR C C 179.4 0.1 1 1391 127 127 TYR CA C 57.0 0.1 1 1392 127 127 TYR CB C 35.3 0.1 1 1393 127 127 TYR CD1 C 131.6 0.1 1 1394 127 127 TYR CE1 C 117.0 0.1 1 1395 127 127 TYR N N 118.5 0.1 1 1396 128 128 LEU H H 8.05 0.01 1 1397 128 128 LEU HA H 3.93 0.01 1 1398 128 128 LEU HB2 H 1.70 0.01 2 1399 128 128 LEU HB3 H 1.51 0.01 2 1400 128 128 LEU HD1 H 0.83 0.01 2 1401 128 128 LEU HD2 H 0.91 0.01 2 1402 128 128 LEU C C 179.6 0.1 1 1403 128 128 LEU CA C 58.2 0.1 1 1404 128 128 LEU CB C 42.1 0.1 1 1405 128 128 LEU CD1 C 24.7 0.1 1 1406 128 128 LEU CD2 C 24.2 0.1 1 1407 128 128 LEU N N 118.3 0.1 1 1408 129 129 LYS H H 7.96 0.01 1 1409 129 129 LYS HA H 4.08 0.01 1 1410 129 129 LYS HB2 H 1.98 0.01 1 1411 129 129 LYS HB3 H 1.98 0.01 1 1412 129 129 LYS HG2 H 1.49 0.01 1 1413 129 129 LYS HG3 H 1.49 0.01 1 1414 129 129 LYS HD2 H 1.68 0.01 1 1415 129 129 LYS HD3 H 1.68 0.01 1 1416 129 129 LYS HE2 H 2.92 0.01 1 1417 129 129 LYS HE3 H 2.92 0.01 1 1418 129 129 LYS C C 179.1 0.1 1 1419 129 129 LYS CA C 58.8 0.1 1 1420 129 129 LYS CB C 31.5 0.1 1 1421 129 129 LYS CG C 25.0 0.1 1 1422 129 129 LYS CD C 28.6 0.1 1 1423 129 129 LYS N N 118.1 0.1 1 1424 130 130 SER H H 8.01 0.01 1 1425 130 130 SER HA H 3.86 0.01 1 1426 130 130 SER HB2 H 3.40 0.01 2 1427 130 130 SER HB3 H 2.10 0.01 2 1428 130 130 SER C C 175.8 0.1 1 1429 130 130 SER CA C 63.0 0.1 1 1430 130 130 SER CB C 61.3 0.1 1 1431 130 130 SER N N 114.0 0.1 1 1432 131 131 LEU H H 7.53 0.01 1 1433 131 131 LEU HA H 4.08 0.01 1 1434 131 131 LEU HB2 H 2.05 0.01 2 1435 131 131 LEU HB3 H 1.36 0.01 2 1436 131 131 LEU HG H 1.63 0.01 1 1437 131 131 LEU HD1 H 0.98 0.01 2 1438 131 131 LEU HD2 H 0.96 0.01 2 1439 131 131 LEU C C 179.4 0.1 1 1440 131 131 LEU CA C 57.8 0.1 1 1441 131 131 LEU CB C 42.4 0.1 1 1442 131 131 LEU CD1 C 23.8 0.1 1 1443 131 131 LEU CD2 C 26.4 0.1 1 1444 131 131 LEU N N 118.7 0.1 1 1445 132 132 GLU H H 8.29 0.01 1 1446 132 132 GLU HA H 4.01 0.01 1 1447 132 132 GLU HB2 H 2.15 0.01 1 1448 132 132 GLU HB3 H 2.15 0.01 1 1449 132 132 GLU HG2 H 2.37 0.01 2 1450 132 132 GLU HG3 H 2.13 0.01 2 1451 132 132 GLU C C 179.6 0.1 1 1452 132 132 GLU CA C 59.5 0.1 1 1453 132 132 GLU CB C 29.7 0.1 1 1454 132 132 GLU CG C 36.3 0.1 1 1455 132 132 GLU N N 119.5 0.1 1 1456 133 133 MET H H 8.16 0.01 1 1457 133 133 MET HA H 4.27 0.01 1 1458 133 133 MET HB2 H 2.20 0.01 1 1459 133 133 MET HB3 H 2.20 0.01 1 1460 133 133 MET HG2 H 2.75 0.01 2 1461 133 133 MET HG3 H 2.61 0.01 2 1462 133 133 MET HE H 2.06 0.01 1 1463 133 133 MET C C 179.2 0.1 1 1464 133 133 MET CA C 57.3 0.1 1 1465 133 133 MET CB C 31.7 0.1 1 1466 133 133 MET CG C 32.3 0.1 1 1467 133 133 MET CE C 16.7 0.1 1 1468 133 133 MET N N 114.7 0.1 1 1469 134 134 THR H H 7.79 0.01 1 1470 134 134 THR HA H 3.97 0.01 1 1471 134 134 THR HB H 4.34 0.01 1 1472 134 134 THR HG2 H 1.72 0.01 1 1473 134 134 THR C C 176.8 0.1 1 1474 134 134 THR CA C 65.6 0.1 1 1475 134 134 THR CB C 69.0 0.1 1 1476 134 134 THR CG2 C 23.4 0.1 1 1477 134 134 THR N N 111.2 0.1 1 1478 135 135 ALA H H 7.27 0.01 1 1479 135 135 ALA HA H 4.18 0.01 1 1480 135 135 ALA HB H 1.50 0.01 1 1481 135 135 ALA C C 178.8 0.1 1 1482 135 135 ALA CA C 54.4 0.1 1 1483 135 135 ALA CB C 18.8 0.1 1 1484 135 135 ALA N N 120.6 0.1 1 1485 136 136 LYS H H 7.31 0.01 1 1486 136 136 LYS HA H 4.46 0.01 1 1487 136 136 LYS HB2 H 1.96 0.01 2 1488 136 136 LYS HB3 H 1.80 0.01 2 1489 136 136 LYS HG2 H 1.47 0.01 1 1490 136 136 LYS HG3 H 1.47 0.01 1 1491 136 136 LYS HD2 H 1.65 0.01 1 1492 136 136 LYS HD3 H 1.65 0.01 1 1493 136 136 LYS HE2 H 2.94 0.01 1 1494 136 136 LYS HE3 H 2.94 0.01 1 1495 136 136 LYS C C 176.5 0.1 1 1496 136 136 LYS CA C 55.4 0.1 1 1497 136 136 LYS CB C 33.5 0.1 1 1498 136 136 LYS CG C 25.1 0.1 1 1499 136 136 LYS CD C 29.1 0.1 1 1500 136 136 LYS N N 112.2 0.1 1 1501 137 137 ALA H H 7.33 0.01 1 1502 137 137 ALA HA H 4.08 0.01 1 1503 137 137 ALA HB H 0.86 0.01 1 1504 137 137 ALA CA C 56.6 0.1 1 1505 137 137 ALA CB C 15.7 0.1 1 1506 137 137 ALA N N 121.1 0.1 1 1507 138 138 PRO HA H 4.04 0.01 1 1508 138 138 PRO HB2 H 2.23 0.01 2 1509 138 138 PRO HB3 H 1.75 0.01 2 1510 138 138 PRO HG2 H 2.01 0.01 2 1511 138 138 PRO HG3 H 1.52 0.01 2 1512 138 138 PRO HD2 H 3.31 0.01 1 1513 138 138 PRO HD3 H 3.31 0.01 1 1514 138 138 PRO C C 179.5 0.1 1 1515 138 138 PRO CA C 66.2 0.1 1 1516 138 138 PRO CB C 30.7 0.1 1 1517 138 138 PRO CG C 28.6 0.1 1 1518 138 138 PRO CD C 50.1 0.1 1 1519 139 139 GLN H H 7.63 0.01 1 1520 139 139 GLN HA H 4.22 0.01 1 1521 139 139 GLN HB2 H 2.17 0.01 1 1522 139 139 GLN HB3 H 2.17 0.01 1 1523 139 139 GLN HG2 H 2.40 0.01 1 1524 139 139 GLN HG3 H 2.40 0.01 1 1525 139 139 GLN C C 178.3 0.1 1 1526 139 139 GLN CA C 58.7 0.1 1 1527 139 139 GLN CB C 28.2 0.1 1 1528 139 139 GLN CG C 34.0 0.1 1 1529 139 139 GLN N N 115.6 0.1 1 1530 140 140 LEU H H 7.93 0.01 1 1531 140 140 LEU HA H 4.18 0.01 1 1532 140 140 LEU HB2 H 2.08 0.01 2 1533 140 140 LEU HB3 H 1.67 0.01 2 1534 140 140 LEU HG H 1.75 0.01 1 1535 140 140 LEU HD1 H 0.89 0.01 2 1536 140 140 LEU HD2 H 0.85 0.01 2 1537 140 140 LEU C C 180.0 0.1 1 1538 140 140 LEU CA C 57.6 0.1 1 1539 140 140 LEU CB C 41.9 0.1 1 1540 140 140 LEU CD1 C 25.3 0.1 1 1541 140 140 LEU CD2 C 22.9 0.1 1 1542 140 140 LEU N N 119.0 0.1 1 1543 141 141 HIS H H 8.86 0.01 1 1544 141 141 HIS HA H 4.16 0.01 1 1545 141 141 HIS HB2 H 3.37 0.01 2 1546 141 141 HIS HB3 H 3.01 0.01 2 1547 141 141 HIS HD2 H 6.59 0.01 1 1548 141 141 HIS HE1 H 7.20 0.01 1 1549 141 141 HIS C C 176.3 0.1 1 1550 141 141 HIS CA C 61.7 0.1 1 1551 141 141 HIS CB C 31.7 0.1 1 1552 141 141 HIS CD2 C 117.2 0.1 1 1553 141 141 HIS CE1 C 138.7 0.1 1 1554 141 141 HIS N N 119.7 0.1 1 1555 142 142 ALA H H 7.99 0.01 1 1556 142 142 ALA HA H 4.33 0.01 1 1557 142 142 ALA HB H 1.58 0.01 1 1558 142 142 ALA C C 181.0 0.1 1 1559 142 142 ALA CA C 55.0 0.1 1 1560 142 142 ALA CB C 18.1 0.1 1 1561 142 142 ALA N N 118.7 0.1 1 1562 143 143 GLU H H 8.06 0.01 1 1563 143 143 GLU HA H 4.01 0.01 1 1564 143 143 GLU HB2 H 2.06 0.01 1 1565 143 143 GLU HB3 H 2.06 0.01 1 1566 143 143 GLU HG2 H 2.43 0.01 2 1567 143 143 GLU HG3 H 2.29 0.01 2 1568 143 143 GLU C C 178.4 0.1 1 1569 143 143 GLU CA C 58.9 0.1 1 1570 143 143 GLU CB C 29.8 0.1 1 1571 143 143 GLU CG C 36.4 0.1 1 1572 143 143 GLU N N 114.9 0.1 1 1573 144 144 ALA H H 7.95 0.01 1 1574 144 144 ALA HA H 4.01 0.01 1 1575 144 144 ALA HB H 1.26 0.01 1 1576 144 144 ALA C C 179.6 0.1 1 1577 144 144 ALA CA C 54.6 0.1 1 1578 144 144 ALA CB C 18.1 0.1 1 1579 144 144 ALA N N 119.4 0.1 1 1580 145 145 TYR H H 7.88 0.01 1 1581 145 145 TYR HA H 4.29 0.01 1 1582 145 145 TYR HB2 H 3.14 0.01 2 1583 145 145 TYR HB3 H 2.61 0.01 2 1584 145 145 TYR HD1 H 6.79 0.01 1 1585 145 145 TYR HD2 H 6.79 0.01 1 1586 145 145 TYR HE1 H 6.51 0.01 1 1587 145 145 TYR HE2 H 6.51 0.01 1 1588 145 145 TYR C C 177.1 0.1 1 1589 145 145 TYR CA C 60.8 0.1 1 1590 145 145 TYR CB C 38.4 0.1 1 1591 145 145 TYR CD1 C 133.2 0.1 1 1592 145 145 TYR CE1 C 117.2 0.1 1 1593 145 145 TYR N N 112.5 0.1 1 1594 146 146 LYS H H 7.91 0.01 1 1595 146 146 LYS HA H 4.24 0.01 1 1596 146 146 LYS HB2 H 1.91 0.01 1 1597 146 146 LYS HB3 H 1.91 0.01 1 1598 146 146 LYS HG2 H 1.46 0.01 1 1599 146 146 LYS HG3 H 1.46 0.01 1 1600 146 146 LYS HD2 H 1.68 0.01 1 1601 146 146 LYS HD3 H 1.68 0.01 1 1602 146 146 LYS HE2 H 2.96 0.01 1 1603 146 146 LYS HE3 H 2.96 0.01 1 1604 146 146 LYS C C 177.5 0.1 1 1605 146 146 LYS CA C 57.9 0.1 1 1606 146 146 LYS CB C 32.6 0.1 1 1607 146 146 LYS CG C 25.1 0.1 1 1608 146 146 LYS CD C 29.4 0.1 1 1609 146 146 LYS N N 118.9 0.1 1 1610 147 147 GLN H H 8.09 0.01 1 1611 147 147 GLN HA H 4.31 0.01 1 1612 147 147 GLN HB2 H 2.16 0.01 2 1613 147 147 GLN HB3 H 2.01 0.01 2 1614 147 147 GLN HG2 H 2.38 0.01 1 1615 147 147 GLN HG3 H 2.38 0.01 1 1616 147 147 GLN C C 176.7 0.1 1 1617 147 147 GLN CA C 56.2 0.1 1 1618 147 147 GLN CB C 29.3 0.1 1 1619 147 147 GLN CG C 34.0 0.1 1 1620 147 147 GLN N N 115.8 0.1 1 1621 148 148 GLY H H 8.05 0.01 1 1622 148 148 GLY HA2 H 3.97 0.01 2 1623 148 148 GLY HA3 H 3.90 0.01 2 1624 148 148 GLY C C 174.6 0.1 1 1625 148 148 GLY CA C 45.5 0.1 1 1626 148 148 GLY N N 106.3 0.1 1 1627 149 149 LEU H H 8.10 0.01 1 1628 149 149 LEU HA H 4.28 0.01 1 1629 149 149 LEU HB2 H 1.54 0.01 1 1630 149 149 LEU HB3 H 1.54 0.01 1 1631 149 149 LEU HG H 1.56 0.01 1 1632 149 149 LEU HD1 H 0.84 0.01 2 1633 149 149 LEU HD2 H 0.84 0.01 2 1634 149 149 LEU CA C 55.3 0.1 1 1635 149 149 LEU CB C 42.2 0.1 1 1636 149 149 LEU CD1 C 32.2 0.1 1 1637 149 149 LEU CD2 C 27.1 0.1 1 1638 149 149 LEU N N 118.8 0.1 1 1639 150 150 GLY H H 8.54 0.01 1 1640 150 150 GLY CA C 45.4 0.1 1 1641 150 150 GLY N N 108.0 0.1 1 1642 151 151 GLY H H 8.19 0.01 1 1643 151 151 GLY C C 174.3 0.1 1 1644 151 151 GLY N N 106.3 0.1 1 1645 157 157 HIS HA H 4.34 0.01 1 1646 157 157 HIS HB2 H 3.08 0.01 2 1647 157 157 HIS HB3 H 2.95 0.01 2 1648 157 157 HIS HD2 H 6.90 0.01 1 1649 157 157 HIS CA C 57.6 0.1 1 1650 157 157 HIS CB C 31.0 0.1 1 1651 157 157 HIS CD2 C 120.1 0.1 1 1652 158 158 HIS H H 7.86 0.01 1 1653 158 158 HIS HA H 4.52 0.01 1 1654 158 158 HIS HB2 H 2.96 0.01 2 1655 158 158 HIS HB3 H 2.52 0.01 2 1656 158 158 HIS N N 123.2 0.1 1 stop_ save_