data_15256 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Antheraea polyphemus pheromone-binding protein 1: structure and assignments at pH 4.5. ; _BMRB_accession_number 15256 _BMRB_flat_file_name bmr15256.str _Entry_type original _Submission_date 2007-05-20 _Accession_date 2007-05-20 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details ; The structure determination of ApolPBP1 was performed at pH 4.5 in the absense of signals from the alternate high pH conformation and contains a helix formed by the C-terminal dodecapeptide in the binding site. ; loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Damberger Fred F. . 2 Wuthrich Kurt . . 3 Leal Walter S. . 4 Ishida Yuko . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 831 "13C chemical shifts" 620 "15N chemical shifts" 150 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-05-26 update BMRB 'update entity name' 2007-11-02 update author 'update chemical shifts, etc.' 2007-10-29 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Structural basis of ligand binding and release in insect pheromone-binding proteins: NMR structure of Antheraea polyphemus PBP1 at pH 4.5 ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 17884092 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Damberger Fred F. . 2 Ishida Yuko . . 3 Leal Walter W.S. . 4 Wuthrich Kurt . . stop_ _Journal_abbreviation 'J. Mol. Biol.' _Journal_volume 373 _Journal_issue 4 _Journal_ASTM 'JMOBAK UK' _Journal_ISSN 0022-2836 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 811 _Page_last 819 _Year 2007 _Details . loop_ _Keyword 'NMR structure' 'Odorant-binding protein' 'pH-dependent conformational transition' 'pheromone signaling' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name ApolPBP _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label singlechain $entity stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . loop_ _Biological_function 'protection of pheromone components against degradation by enzymes in the sensillum' 'transport of pheromone compounds to the olfactory receptor' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'ApolPBP singlechain' _Molecular_mass 15797.063 _Mol_thiol_state 'all disulfide bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 142 _Mol_residue_sequence ; SPEIMKNLSNNFGKAMDQCK DELSLPDSVVADLYNFWKDD YVMTDRLAGCAINCLATKLD VVDPDGNLHHGNAKDFAMKH GADETMAQQLVDIIHGCEKS APPNDDKCMKTIDVAMCFKK EIHKLNWVPNMDLVIGEVLA EV ; loop_ _Residue_seq_code _Residue_label 1 SER 2 PRO 3 GLU 4 ILE 5 MET 6 LYS 7 ASN 8 LEU 9 SER 10 ASN 11 ASN 12 PHE 13 GLY 14 LYS 15 ALA 16 MET 17 ASP 18 GLN 19 CYS 20 LYS 21 ASP 22 GLU 23 LEU 24 SER 25 LEU 26 PRO 27 ASP 28 SER 29 VAL 30 VAL 31 ALA 32 ASP 33 LEU 34 TYR 35 ASN 36 PHE 37 TRP 38 LYS 39 ASP 40 ASP 41 TYR 42 VAL 43 MET 44 THR 45 ASP 46 ARG 47 LEU 48 ALA 49 GLY 50 CYS 51 ALA 52 ILE 53 ASN 54 CYS 55 LEU 56 ALA 57 THR 58 LYS 59 LEU 60 ASP 61 VAL 62 VAL 63 ASP 64 PRO 65 ASP 66 GLY 67 ASN 68 LEU 69 HIS 70 HIS 71 GLY 72 ASN 73 ALA 74 LYS 75 ASP 76 PHE 77 ALA 78 MET 79 LYS 80 HIS 81 GLY 82 ALA 83 ASP 84 GLU 85 THR 86 MET 87 ALA 88 GLN 89 GLN 90 LEU 91 VAL 92 ASP 93 ILE 94 ILE 95 HIS 96 GLY 97 CYS 98 GLU 99 LYS 100 SER 101 ALA 102 PRO 103 PRO 104 ASN 105 ASP 106 ASP 107 LYS 108 CYS 109 MET 110 LYS 111 THR 112 ILE 113 ASP 114 VAL 115 ALA 116 MET 117 CYS 118 PHE 119 LYS 120 LYS 121 GLU 122 ILE 123 HIS 124 LYS 125 LEU 126 ASN 127 TRP 128 VAL 129 PRO 130 ASN 131 MET 132 ASP 133 LEU 134 VAL 135 ILE 136 GLY 137 GLU 138 VAL 139 LEU 140 ALA 141 GLU 142 VAL stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-09-30 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 1QWV "Solution Structure Of Antheraea Polyphemus Pheromone Binding Protein (Apolpbp)" 100.00 142 100.00 100.00 1.26e-98 PDB 1TWO "Nmr Structure Of The Pheromone Binding Protein From Antheraea Polyphemus At Acidic Ph" 100.00 142 100.00 100.00 1.26e-98 PDB 2JPO "Nmr Structure Of Antheraea Polyphemus Pheromone-Binding Protein 1 At Ph 4.5" 100.00 142 100.00 100.00 1.26e-98 EMBL CAA35592 "pheromone binding protein [Antheraea polyphemus]" 100.00 163 100.00 100.00 6.37e-99 GB AAB49502 "Aper-1=pheromone binding protein/PBP/Apol-3 homolog [Antheraea pernyi, Peptide, 142 aa]" 100.00 142 100.00 100.00 1.26e-98 PRF 1515253A "pheromone binding protein" 100.00 163 100.00 100.00 6.37e-99 SP P20797 "RecName: Full=Pheromone-binding protein; Short=PBP; Flags: Precursor" 100.00 163 100.00 100.00 6.37e-99 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Details $entity . 7120 Eukaryota Metazoa Antheraea polyphemus 'ApolPBP1 occurs at high concentrations in the olfactory sensilla of the male moth.' stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $entity 'recombinant technology' . Escherichia coli . pET22b stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity 0.9 mM '[U-99% 13C; U-99% 15N]' H2O 93 % . D2O 7 % . 'potassium phosphate' 50 mM . 'sodium azide' 2 mM . stop_ save_ ############################ # Computer software used # ############################ save_CARA _Saveframe_category software _Name CARA _Version 1.8 loop_ _Vendor _Address _Electronic_address 'Keller and Wuthrich' . www.nmr.ch stop_ loop_ _Task 'chemical shift assignment' stop_ _Details 'Computer Aided Resonance Assignment' save_ save_ATNOS_CANDID_standalone _Saveframe_category software _Name ATHNOS-CANDID _Version . loop_ _Vendor _Address _Electronic_address 'Herrmann, Guntert and Wuthrich' 'Institute for Molecular Biology and Biophysics, ETH Zurich, 8093 Zurich Switzerland' http://hugin.ethz.ch/wuthrich/people/torsten/atnoscandid/ stop_ loop_ _Task 'constraint collection' 'constraint combination' 'NOE assignment' 'peak picking' stop_ _Details ; automated NOESY peak-picking with ATNOS and automated assignment with CANDID was coupled to DYANA for iterative peak-picking, NOE assignment and structure calculation in seven cycles. ; save_ save_DYANA _Saveframe_category software _Name DYANA _Version . loop_ _Vendor _Address _Electronic_address 'Guntert, Braun and Wuthrich' 'ETH Zurich' . stop_ loop_ _Task 'structure calculation' stop_ _Details . save_ save_Molmol _Saveframe_category software _Name Molmol _Version 2.2K loop_ _Vendor _Address _Electronic_address 'Koradi, Billeter and Wuthrich' 'ETH Zurich' . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_OPALp _Saveframe_category software _Name OPALp _Version 1.2 loop_ _Vendor _Address _Electronic_address 'Luginbuhl, Guntert, Billeter and Wuthrich' 'ETH Zurich' . stop_ loop_ _Task refinement stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 900 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 750 _Details . save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 500 _Details 'TCI (3-channel) cryoprobe with Z-gradients installed' save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_C(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCA_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCACB_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_H(CCO)NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-15N_TOCSY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ save_3D_HCCH-COSY_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-COSY' _Sample_label $sample_1 save_ save_3D_HN(CA)CO_15 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.05 0.02 M pH 4.50 0.05 pH pressure 1 . atm temperature 293 0.2 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 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 . indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $CARA $ATNOS_CANDID_standalone stop_ loop_ _Experiment_label '3D 1H-15N NOESY' '3D 1H-13C NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name singlechain _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 SER HA H 4.443 0.020 1 2 1 1 SER HB2 H 4.033 0.020 2 3 1 1 SER HB3 H 3.974 0.020 2 4 1 1 SER CA C 56.600 0.3 1 5 1 1 SER CB C 61.656 0.3 1 6 2 2 PRO HA H 4.484 0.020 1 7 2 2 PRO HB2 H 2.337 0.020 2 8 2 2 PRO HB3 H 1.882 0.020 2 9 2 2 PRO HD2 H 3.761 0.020 2 10 2 2 PRO HD3 H 3.667 0.020 2 11 2 2 PRO HG2 H 2.023 0.020 1 12 2 2 PRO HG3 H 2.023 0.020 1 13 2 2 PRO C C 176.216 0.3 1 14 2 2 PRO CA C 63.379 0.3 1 15 2 2 PRO CB C 32.049 0.3 1 16 2 2 PRO CD C 50.560 0.3 1 17 2 2 PRO CG C 27.437 0.3 1 18 3 3 GLU H H 8.647 0.020 1 19 3 3 GLU HA H 4.244 0.020 1 20 3 3 GLU HB2 H 2.002 0.020 2 21 3 3 GLU HB3 H 1.952 0.020 2 22 3 3 GLU HG2 H 2.298 0.020 1 23 3 3 GLU HG3 H 2.298 0.020 1 24 3 3 GLU C C 176.202 0.3 1 25 3 3 GLU CA C 56.735 0.3 1 26 3 3 GLU CB C 29.896 0.3 1 27 3 3 GLU CG C 35.734 0.3 1 28 3 3 GLU N N 122.261 0.3 1 29 4 4 ILE H H 8.256 0.020 1 30 4 4 ILE HA H 4.106 0.020 1 31 4 4 ILE HB H 1.832 0.020 1 32 4 4 ILE HD1 H 0.837 0.020 1 33 4 4 ILE HG12 H 1.455 0.020 2 34 4 4 ILE HG13 H 1.177 0.020 2 35 4 4 ILE HG2 H 0.870 0.020 1 36 4 4 ILE C C 175.941 0.3 1 37 4 4 ILE CA C 61.356 0.3 1 38 4 4 ILE CB C 38.483 0.3 1 39 4 4 ILE CD1 C 12.832 0.3 1 40 4 4 ILE CG1 C 27.393 0.3 1 41 4 4 ILE CG2 C 17.466 0.3 1 42 4 4 ILE N N 122.213 0.3 1 43 5 5 MET H H 8.384 0.020 1 44 5 5 MET HA H 4.439 0.020 1 45 5 5 MET HB2 H 2.069 0.020 2 46 5 5 MET HB3 H 2.012 0.020 2 47 5 5 MET HG2 H 2.588 0.020 2 48 5 5 MET HG3 H 2.508 0.020 2 49 5 5 MET C C 176.021 0.3 1 50 5 5 MET CA C 55.585 0.3 1 51 5 5 MET CB C 32.629 0.3 1 52 5 5 MET CG C 32.134 0.3 1 53 5 5 MET N N 123.757 0.3 1 54 6 6 LYS H H 8.346 0.020 1 55 6 6 LYS HA H 4.287 0.020 1 56 6 6 LYS HB2 H 1.845 0.020 2 57 6 6 LYS HB3 H 1.771 0.020 2 58 6 6 LYS HD2 H 1.688 0.020 1 59 6 6 LYS HD3 H 1.688 0.020 1 60 6 6 LYS HE2 H 3.002 0.020 1 61 6 6 LYS HE3 H 3.002 0.020 1 62 6 6 LYS HG2 H 1.461 0.020 2 63 6 6 LYS HG3 H 1.392 0.020 2 64 6 6 LYS C C 175.936 0.3 1 65 6 6 LYS CA C 56.674 0.3 1 66 6 6 LYS CB C 32.685 0.3 1 67 6 6 LYS CD C 29.165 0.3 1 68 6 6 LYS CE C 42.111 0.3 1 69 6 6 LYS CG C 24.777 0.3 1 70 6 6 LYS N N 122.560 0.3 1 71 7 7 ASN H H 8.327 0.020 1 72 7 7 ASN HA H 4.731 0.020 1 73 7 7 ASN HB2 H 2.898 0.020 1 74 7 7 ASN HB3 H 2.898 0.020 1 75 7 7 ASN HD21 H 7.677 0.020 1 76 7 7 ASN HD22 H 7.024 0.020 1 77 7 7 ASN C C 175.018 0.3 1 78 7 7 ASN CA C 53.490 0.3 1 79 7 7 ASN CB C 39.023 0.3 1 80 7 7 ASN N N 118.642 0.3 1 81 7 7 ASN ND2 N 113.169 0.3 1 82 8 8 LEU H H 8.395 0.020 1 83 8 8 LEU HA H 4.476 0.020 1 84 8 8 LEU HB2 H 1.737 0.020 2 85 8 8 LEU HB3 H 1.666 0.020 2 86 8 8 LEU HD1 H 0.812 0.020 2 87 8 8 LEU HD2 H 0.763 0.020 2 88 8 8 LEU HG H 1.681 0.020 1 89 8 8 LEU C C 177.486 0.3 1 90 8 8 LEU CA C 55.921 0.3 1 91 8 8 LEU CB C 42.019 0.3 1 92 8 8 LEU CD1 C 25.081 0.3 1 93 8 8 LEU CD2 C 24.152 0.3 1 94 8 8 LEU CG C 27.282 0.3 1 95 8 8 LEU N N 122.070 0.3 1 96 9 9 SER H H 8.663 0.020 1 97 9 9 SER HA H 4.277 0.020 1 98 9 9 SER HB2 H 4.093 0.020 2 99 9 9 SER HB3 H 4.012 0.020 2 100 9 9 SER C C 175.916 0.3 1 101 9 9 SER CA C 60.121 0.3 1 102 9 9 SER CB C 63.406 0.3 1 103 9 9 SER N N 115.884 0.3 1 104 10 10 ASN H H 8.644 0.020 1 105 10 10 ASN HA H 4.638 0.020 1 106 10 10 ASN HB2 H 2.912 0.020 1 107 10 10 ASN HB3 H 2.912 0.020 1 108 10 10 ASN HD21 H 7.746 0.020 1 109 10 10 ASN HD22 H 7.037 0.020 1 110 10 10 ASN C C 176.846 0.3 1 111 10 10 ASN CA C 55.283 0.3 1 112 10 10 ASN CB C 38.323 0.3 1 113 10 10 ASN N N 121.223 0.3 1 114 10 10 ASN ND2 N 112.633 0.3 1 115 11 11 ASN H H 8.315 0.020 1 116 11 11 ASN HA H 4.532 0.020 1 117 11 11 ASN HB2 H 3.651 0.020 2 118 11 11 ASN HB3 H 2.868 0.020 2 119 11 11 ASN HD21 H 7.866 0.020 1 120 11 11 ASN HD22 H 7.302 0.020 1 121 11 11 ASN C C 176.201 0.3 1 122 11 11 ASN CA C 56.190 0.3 1 123 11 11 ASN CB C 38.288 0.3 1 124 11 11 ASN N N 120.313 0.3 1 125 11 11 ASN ND2 N 115.147 0.3 1 126 12 12 PHE H H 8.725 0.020 1 127 12 12 PHE HA H 4.001 0.020 1 128 12 12 PHE HB2 H 3.156 0.020 1 129 12 12 PHE HB3 H 3.156 0.020 1 130 12 12 PHE HD1 H 7.060 0.020 1 131 12 12 PHE HD2 H 7.060 0.020 1 132 12 12 PHE HE1 H 6.932 0.020 1 133 12 12 PHE HE2 H 6.932 0.020 1 134 12 12 PHE HZ H 7.056 0.020 1 135 12 12 PHE C C 176.684 0.3 1 136 12 12 PHE CA C 61.969 0.3 1 137 12 12 PHE CB C 39.252 0.3 1 138 12 12 PHE CD1 C 130.973 0.3 1 139 12 12 PHE CD2 C 130.973 0.3 1 140 12 12 PHE CE1 C 130.627 0.3 1 141 12 12 PHE CE2 C 130.627 0.3 1 142 12 12 PHE CZ C 127.860 0.3 1 143 12 12 PHE N N 120.537 0.3 1 144 13 13 GLY H H 8.237 0.020 1 145 13 13 GLY HA2 H 3.991 0.020 2 146 13 13 GLY HA3 H 3.806 0.020 2 147 13 13 GLY C C 175.099 0.3 1 148 13 13 GLY CA C 47.113 0.3 1 149 13 13 GLY N N 105.558 0.3 1 150 14 14 LYS H H 7.676 0.020 1 151 14 14 LYS HA H 4.125 0.020 1 152 14 14 LYS HB2 H 1.950 0.020 2 153 14 14 LYS HB3 H 1.811 0.020 2 154 14 14 LYS HD2 H 1.735 0.020 1 155 14 14 LYS HD3 H 1.735 0.020 1 156 14 14 LYS HE2 H 2.974 0.020 1 157 14 14 LYS HE3 H 2.974 0.020 1 158 14 14 LYS HG2 H 1.351 0.020 2 159 14 14 LYS HG3 H 1.624 0.020 2 160 14 14 LYS C C 178.710 0.3 1 161 14 14 LYS CA C 59.269 0.3 1 162 14 14 LYS CB C 32.098 0.3 1 163 14 14 LYS CD C 29.326 0.3 1 164 14 14 LYS CE C 42.076 0.3 1 165 14 14 LYS CG C 25.104 0.3 1 166 14 14 LYS N N 121.641 0.3 1 167 15 15 ALA H H 7.488 0.020 1 168 15 15 ALA HA H 3.763 0.020 1 169 15 15 ALA HB H 1.202 0.020 1 170 15 15 ALA C C 178.341 0.3 1 171 15 15 ALA CA C 55.111 0.3 1 172 15 15 ALA CB C 18.667 0.3 1 173 15 15 ALA N N 122.020 0.3 1 174 16 16 MET H H 8.490 0.020 1 175 16 16 MET HA H 3.891 0.020 1 176 16 16 MET HB2 H 2.155 0.020 2 177 16 16 MET HB3 H 1.725 0.020 2 178 16 16 MET HE H 1.756 0.020 1 179 16 16 MET HG2 H 2.318 0.020 2 180 16 16 MET HG3 H 2.262 0.020 2 181 16 16 MET C C 177.765 0.3 1 182 16 16 MET CA C 57.467 0.3 1 183 16 16 MET CB C 32.057 0.3 1 184 16 16 MET CE C 18.107 0.3 1 185 16 16 MET CG C 32.689 0.3 1 186 16 16 MET N N 118.619 0.3 1 187 17 17 ASP H H 8.439 0.020 1 188 17 17 ASP HA H 4.328 0.020 1 189 17 17 ASP HB2 H 2.882 0.020 2 190 17 17 ASP HB3 H 2.709 0.020 2 191 17 17 ASP C C 178.608 0.3 1 192 17 17 ASP CA C 57.376 0.3 1 193 17 17 ASP CB C 39.761 0.3 1 194 17 17 ASP N N 120.952 0.3 1 195 18 18 GLN H H 7.630 0.020 1 196 18 18 GLN HA H 4.240 0.020 1 197 18 18 GLN HB2 H 2.140 0.020 2 198 18 18 GLN HB3 H 1.981 0.020 2 199 18 18 GLN HE21 H 7.379 0.020 1 200 18 18 GLN HE22 H 6.668 0.020 1 201 18 18 GLN HG2 H 2.807 0.020 2 202 18 18 GLN HG3 H 2.423 0.020 2 203 18 18 GLN C C 178.938 0.3 1 204 18 18 GLN CA C 58.896 0.3 1 205 18 18 GLN CB C 27.537 0.3 1 206 18 18 GLN CG C 33.463 0.3 1 207 18 18 GLN N N 118.252 0.3 1 208 18 18 GLN NE2 N 108.444 0.3 1 209 19 19 CYS H H 8.310 0.020 1 210 19 19 CYS HA H 4.277 0.020 1 211 19 19 CYS HB2 H 2.992 0.020 2 212 19 19 CYS HB3 H 2.576 0.020 2 213 19 19 CYS C C 175.451 0.3 1 214 19 19 CYS CA C 59.845 0.3 1 215 19 19 CYS CB C 40.770 0.3 1 216 19 19 CYS N N 117.598 0.3 1 217 20 20 LYS H H 9.181 0.020 1 218 20 20 LYS HA H 3.696 0.020 1 219 20 20 LYS HB2 H 2.139 0.020 2 220 20 20 LYS HB3 H 1.807 0.020 2 221 20 20 LYS HD2 H 1.759 0.020 1 222 20 20 LYS HD3 H 1.759 0.020 1 223 20 20 LYS HE2 H 2.986 0.020 1 224 20 20 LYS HE3 H 2.986 0.020 1 225 20 20 LYS HG2 H 1.520 0.020 2 226 20 20 LYS HG3 H 1.466 0.020 2 227 20 20 LYS C C 177.829 0.3 1 228 20 20 LYS CA C 60.186 0.3 1 229 20 20 LYS CB C 31.772 0.3 1 230 20 20 LYS CD C 29.117 0.3 1 231 20 20 LYS CE C 42.283 0.3 1 232 20 20 LYS CG C 24.742 0.3 1 233 20 20 LYS N N 122.024 0.3 1 234 21 21 ASP H H 7.463 0.020 1 235 21 21 ASP HA H 4.529 0.020 1 236 21 21 ASP HB2 H 2.837 0.020 1 237 21 21 ASP HB3 H 2.837 0.020 1 238 21 21 ASP C C 178.571 0.3 1 239 21 21 ASP CA C 56.547 0.3 1 240 21 21 ASP CB C 40.506 0.3 1 241 21 21 ASP N N 117.748 0.3 1 242 22 22 GLU H H 8.612 0.020 1 243 22 22 GLU HA H 3.973 0.020 1 244 22 22 GLU HB2 H 2.101 0.020 2 245 22 22 GLU HB3 H 2.027 0.020 2 246 22 22 GLU HG2 H 2.516 0.020 2 247 22 22 GLU HG3 H 2.296 0.020 2 248 22 22 GLU C C 178.355 0.3 1 249 22 22 GLU CA C 59.281 0.3 1 250 22 22 GLU CB C 29.939 0.3 1 251 22 22 GLU CG C 35.850 0.3 1 252 22 22 GLU N N 119.872 0.3 1 253 23 23 LEU H H 8.116 0.020 1 254 23 23 LEU HA H 4.453 0.020 1 255 23 23 LEU HB2 H 1.735 0.020 2 256 23 23 LEU HB3 H 1.651 0.020 2 257 23 23 LEU HD1 H 0.796 0.020 2 258 23 23 LEU HD2 H 0.803 0.020 2 259 23 23 LEU HG H 1.775 0.020 1 260 23 23 LEU C C 175.696 0.3 1 261 23 23 LEU CA C 54.208 0.3 1 262 23 23 LEU CB C 42.062 0.3 1 263 23 23 LEU CD1 C 25.780 0.3 1 264 23 23 LEU CD2 C 23.209 0.3 1 265 23 23 LEU CG C 27.869 0.3 1 266 23 23 LEU N N 115.597 0.3 1 267 24 24 SER H H 7.611 0.020 1 268 24 24 SER HA H 4.167 0.020 1 269 24 24 SER HB2 H 4.001 0.020 1 270 24 24 SER HB3 H 4.001 0.020 1 271 24 24 SER C C 175.130 0.3 1 272 24 24 SER CA C 58.206 0.3 1 273 24 24 SER CB C 61.155 0.3 1 274 24 24 SER N N 115.915 0.3 1 275 25 25 LEU H H 8.138 0.020 1 276 25 25 LEU HA H 4.387 0.020 1 277 25 25 LEU HB2 H 1.608 0.020 2 278 25 25 LEU HB3 H 1.220 0.020 2 279 25 25 LEU HD1 H 0.808 0.020 2 280 25 25 LEU HD2 H 0.790 0.020 2 281 25 25 LEU HG H 0.629 0.020 1 282 25 25 LEU C C 174.535 0.3 1 283 25 25 LEU CA C 52.527 0.3 1 284 25 25 LEU CB C 42.492 0.3 1 285 25 25 LEU CD1 C 23.563 0.3 1 286 25 25 LEU CD2 C 25.856 0.3 1 287 25 25 LEU CG C 25.928 0.3 1 288 25 25 LEU N N 117.842 0.3 1 289 26 26 PRO HA H 4.640 0.020 1 290 26 26 PRO HB2 H 2.507 0.020 2 291 26 26 PRO HB3 H 2.027 0.020 2 292 26 26 PRO HD2 H 4.131 0.020 2 293 26 26 PRO HD3 H 3.355 0.020 2 294 26 26 PRO HG2 H 2.151 0.020 2 295 26 26 PRO HG3 H 2.105 0.020 2 296 26 26 PRO C C 177.035 0.3 1 297 26 26 PRO CA C 61.905 0.3 1 298 26 26 PRO CB C 32.442 0.3 1 299 26 26 PRO CD C 50.603 0.3 1 300 26 26 PRO CG C 27.375 0.3 1 301 27 27 ASP H H 8.882 0.020 1 302 27 27 ASP HA H 4.231 0.020 1 303 27 27 ASP HB2 H 2.694 0.020 2 304 27 27 ASP HB3 H 2.636 0.020 2 305 27 27 ASP C C 178.500 0.3 1 306 27 27 ASP CA C 57.684 0.3 1 307 27 27 ASP CB C 39.877 0.3 1 308 27 27 ASP N N 123.053 0.3 1 309 28 28 SER H H 8.691 0.020 1 310 28 28 SER HA H 4.120 0.020 1 311 28 28 SER HB2 H 3.986 0.020 2 312 28 28 SER HB3 H 3.880 0.020 2 313 28 28 SER C C 175.780 0.3 1 314 28 28 SER CA C 60.997 0.3 1 315 28 28 SER CB C 61.475 0.3 1 316 28 28 SER N N 114.159 0.3 1 317 29 29 VAL H H 7.056 0.020 1 318 29 29 VAL HA H 3.941 0.020 1 319 29 29 VAL HB H 2.049 0.020 1 320 29 29 VAL HG1 H 1.058 0.020 2 321 29 29 VAL HG2 H 0.818 0.020 2 322 29 29 VAL C C 176.955 0.3 1 323 29 29 VAL CA C 64.904 0.3 1 324 29 29 VAL CB C 31.781 0.3 1 325 29 29 VAL CG1 C 23.549 0.3 1 326 29 29 VAL CG2 C 21.161 0.3 1 327 29 29 VAL N N 122.897 0.3 1 328 30 30 VAL H H 7.156 0.020 1 329 30 30 VAL HA H 3.481 0.020 1 330 30 30 VAL HB H 2.250 0.020 1 331 30 30 VAL HG1 H 1.044 0.020 2 332 30 30 VAL HG2 H 0.916 0.020 2 333 30 30 VAL C C 176.930 0.3 1 334 30 30 VAL CA C 66.693 0.3 1 335 30 30 VAL CB C 31.619 0.3 1 336 30 30 VAL CG1 C 21.604 0.3 1 337 30 30 VAL CG2 C 22.593 0.3 1 338 30 30 VAL N N 119.012 0.3 1 339 31 31 ALA H H 7.966 0.020 1 340 31 31 ALA HA H 4.212 0.020 1 341 31 31 ALA HB H 1.452 0.020 1 342 31 31 ALA C C 179.822 0.3 1 343 31 31 ALA CA C 55.222 0.3 1 344 31 31 ALA CB C 17.761 0.3 1 345 31 31 ALA N N 120.096 0.3 1 346 32 32 ASP H H 7.952 0.020 1 347 32 32 ASP HA H 4.409 0.020 1 348 32 32 ASP HB2 H 3.065 0.020 2 349 32 32 ASP HB3 H 2.669 0.020 2 350 32 32 ASP C C 177.672 0.3 1 351 32 32 ASP CA C 56.526 0.3 1 352 32 32 ASP CB C 40.144 0.3 1 353 32 32 ASP N N 117.681 0.3 1 354 33 33 LEU H H 8.008 0.020 1 355 33 33 LEU HA H 4.035 0.020 1 356 33 33 LEU HB2 H 1.849 0.020 2 357 33 33 LEU HB3 H 1.741 0.020 2 358 33 33 LEU HD1 H 0.885 0.020 2 359 33 33 LEU HD2 H 0.842 0.020 2 360 33 33 LEU HG H 1.718 0.020 1 361 33 33 LEU C C 177.931 0.3 1 362 33 33 LEU CA C 57.500 0.3 1 363 33 33 LEU CB C 41.742 0.3 1 364 33 33 LEU CD1 C 25.271 0.3 1 365 33 33 LEU CD2 C 25.267 0.3 1 366 33 33 LEU CG C 27.717 0.3 1 367 33 33 LEU N N 120.663 0.3 1 368 34 34 TYR H H 8.109 0.020 1 369 34 34 TYR HA H 4.365 0.020 1 370 34 34 TYR HB2 H 3.092 0.020 1 371 34 34 TYR HB3 H 3.092 0.020 1 372 34 34 TYR HD1 H 7.299 0.020 1 373 34 34 TYR HD2 H 7.299 0.020 1 374 34 34 TYR HE1 H 6.806 0.020 1 375 34 34 TYR HE2 H 6.806 0.020 1 376 34 34 TYR C C 177.463 0.3 1 377 34 34 TYR CA C 62.416 0.3 1 378 34 34 TYR CB C 37.781 0.3 1 379 34 34 TYR CD1 C 132.703 0.3 1 380 34 34 TYR CD2 C 132.703 0.3 1 381 34 34 TYR CE1 C 117.678 0.3 1 382 34 34 TYR CE2 C 117.678 0.3 1 383 34 34 TYR N N 116.827 0.3 1 384 35 35 ASN H H 7.998 0.020 1 385 35 35 ASN HA H 4.501 0.020 1 386 35 35 ASN HB2 H 2.542 0.020 2 387 35 35 ASN HB3 H 2.466 0.020 2 388 35 35 ASN HD21 H 7.400 0.020 1 389 35 35 ASN HD22 H 6.899 0.020 1 390 35 35 ASN C C 176.640 0.3 1 391 35 35 ASN CA C 54.602 0.3 1 392 35 35 ASN CB C 38.067 0.3 1 393 35 35 ASN N N 116.146 0.3 1 394 35 35 ASN ND2 N 113.075 0.3 1 395 36 36 PHE H H 8.092 0.020 1 396 36 36 PHE HA H 4.037 0.020 1 397 36 36 PHE HB2 H 3.174 0.020 2 398 36 36 PHE HB3 H 2.832 0.020 2 399 36 36 PHE HD1 H 6.628 0.020 1 400 36 36 PHE HD2 H 6.628 0.020 1 401 36 36 PHE HE1 H 6.816 0.020 1 402 36 36 PHE HE2 H 6.816 0.020 1 403 36 36 PHE HZ H 6.890 0.020 1 404 36 36 PHE C C 175.158 0.3 1 405 36 36 PHE CA C 60.488 0.3 1 406 36 36 PHE CB C 38.786 0.3 1 407 36 36 PHE CD1 C 131.802 0.3 1 408 36 36 PHE CD2 C 131.802 0.3 1 409 36 36 PHE CE1 C 129.931 0.3 1 410 36 36 PHE CE2 C 129.931 0.3 1 411 36 36 PHE CZ C 127.938 0.3 1 412 36 36 PHE N N 121.046 0.3 1 413 37 37 TRP H H 7.426 0.020 1 414 37 37 TRP HA H 4.061 0.020 1 415 37 37 TRP HB2 H 3.131 0.020 1 416 37 37 TRP HB3 H 3.131 0.020 1 417 37 37 TRP HD1 H 7.155 0.020 1 418 37 37 TRP HE3 H 7.408 0.020 1 419 37 37 TRP HH2 H 7.036 0.020 1 420 37 37 TRP HZ2 H 7.236 0.020 1 421 37 37 TRP HZ3 H 6.983 0.020 1 422 37 37 TRP C C 176.205 0.3 1 423 37 37 TRP CA C 57.656 0.3 1 424 37 37 TRP CB C 29.584 0.3 1 425 37 37 TRP CD1 C 127.754 0.3 1 426 37 37 TRP CE3 C 121.186 0.3 1 427 37 37 TRP CH2 C 123.419 0.3 1 428 37 37 TRP CZ2 C 112.815 0.3 1 429 37 37 TRP CZ3 C 121.160 0.3 1 430 37 37 TRP N N 116.045 0.3 1 431 38 38 LYS H H 7.727 0.020 1 432 38 38 LYS HA H 4.102 0.020 1 433 38 38 LYS HB2 H 1.759 0.020 1 434 38 38 LYS HB3 H 1.759 0.020 1 435 38 38 LYS HD2 H 1.622 0.020 1 436 38 38 LYS HD3 H 1.622 0.020 1 437 38 38 LYS HE2 H 2.971 0.020 1 438 38 38 LYS HE3 H 2.971 0.020 1 439 38 38 LYS HG2 H 1.150 0.020 1 440 38 38 LYS HG3 H 1.150 0.020 1 441 38 38 LYS CA C 57.506 0.3 1 442 38 38 LYS CB C 33.583 0.3 1 443 38 38 LYS CD C 29.306 0.3 1 444 38 38 LYS CE C 41.992 0.3 1 445 38 38 LYS CG C 24.867 0.3 1 446 38 38 LYS N N 117.374 0.3 1 447 39 39 ASP H H 8.284 0.020 1 448 39 39 ASP HA H 4.642 0.020 1 449 39 39 ASP HB2 H 2.700 0.020 2 450 39 39 ASP HB3 H 2.620 0.020 2 451 39 39 ASP C C 175.314 0.3 1 452 39 39 ASP CA C 54.923 0.3 1 453 39 39 ASP CB C 41.940 0.3 1 454 39 39 ASP N N 120.360 0.3 1 455 40 40 ASP H H 8.349 0.020 1 456 40 40 ASP HA H 4.437 0.020 1 457 40 40 ASP HB2 H 2.694 0.020 1 458 40 40 ASP HB3 H 2.694 0.020 1 459 40 40 ASP C C 174.624 0.3 1 460 40 40 ASP CA C 54.188 0.3 1 461 40 40 ASP CB C 39.485 0.3 1 462 40 40 ASP N N 117.207 0.3 1 463 41 41 TYR H H 7.519 0.020 1 464 41 41 TYR HA H 4.348 0.020 1 465 41 41 TYR HB2 H 2.845 0.020 2 466 41 41 TYR HB3 H 2.707 0.020 2 467 41 41 TYR HD1 H 6.960 0.020 1 468 41 41 TYR HD2 H 6.960 0.020 1 469 41 41 TYR HE1 H 6.757 0.020 1 470 41 41 TYR HE2 H 6.757 0.020 1 471 41 41 TYR C C 174.522 0.3 1 472 41 41 TYR CA C 58.433 0.3 1 473 41 41 TYR CB C 39.918 0.3 1 474 41 41 TYR CD1 C 132.524 0.3 1 475 41 41 TYR CD2 C 132.524 0.3 1 476 41 41 TYR CE1 C 117.953 0.3 1 477 41 41 TYR CE2 C 117.953 0.3 1 478 41 41 TYR N N 121.688 0.3 1 479 42 42 VAL H H 7.864 0.020 1 480 42 42 VAL HA H 3.934 0.020 1 481 42 42 VAL HB H 1.814 0.020 1 482 42 42 VAL HG1 H 0.842 0.020 2 483 42 42 VAL HG2 H 0.749 0.020 2 484 42 42 VAL C C 174.043 0.3 1 485 42 42 VAL CA C 61.851 0.3 1 486 42 42 VAL CB C 32.495 0.3 1 487 42 42 VAL CG1 C 20.698 0.3 1 488 42 42 VAL CG2 C 20.936 0.3 1 489 42 42 VAL N N 125.630 0.3 1 490 43 43 MET H H 7.568 0.020 1 491 43 43 MET HA H 4.416 0.020 1 492 43 43 MET HB2 H 1.844 0.020 1 493 43 43 MET HB3 H 1.844 0.020 1 494 43 43 MET HE H 1.333 0.020 1 495 43 43 MET HG2 H 2.372 0.020 2 496 43 43 MET HG3 H 2.226 0.020 2 497 43 43 MET C C 174.408 0.3 1 498 43 43 MET CA C 55.409 0.3 1 499 43 43 MET CB C 34.617 0.3 1 500 43 43 MET CE C 16.420 0.3 1 501 43 43 MET CG C 31.717 0.3 1 502 43 43 MET N N 126.011 0.3 1 503 44 44 THR H H 8.402 0.020 1 504 44 44 THR HA H 4.319 0.020 1 505 44 44 THR HB H 4.260 0.020 1 506 44 44 THR HG2 H 1.024 0.020 1 507 44 44 THR C C 173.441 0.3 1 508 44 44 THR CA C 61.213 0.3 1 509 44 44 THR CB C 70.135 0.3 1 510 44 44 THR CG2 C 21.402 0.3 1 511 44 44 THR N N 112.807 0.3 1 512 45 45 ASP H H 7.900 0.020 1 513 45 45 ASP HA H 4.648 0.020 1 514 45 45 ASP HB2 H 2.843 0.020 2 515 45 45 ASP HB3 H 2.617 0.020 2 516 45 45 ASP C C 176.202 0.3 1 517 45 45 ASP CA C 53.267 0.3 1 518 45 45 ASP CB C 42.191 0.3 1 519 45 45 ASP N N 123.098 0.3 1 520 46 46 ARG H H 8.930 0.020 1 521 46 46 ARG HA H 3.949 0.020 1 522 46 46 ARG HB2 H 1.887 0.020 2 523 46 46 ARG HB3 H 1.785 0.020 2 524 46 46 ARG HD2 H 3.415 0.020 2 525 46 46 ARG HD3 H 3.074 0.020 2 526 46 46 ARG HE H 9.268 0.020 1 527 46 46 ARG HG2 H 1.673 0.020 2 528 46 46 ARG HG3 H 1.382 0.020 2 529 46 46 ARG HH11 H 7.056 0.020 1 530 46 46 ARG HH12 H 6.756 0.020 1 531 46 46 ARG C C 177.411 0.3 1 532 46 46 ARG CA C 59.328 0.3 1 533 46 46 ARG CB C 30.045 0.3 1 534 46 46 ARG CD C 42.459 0.3 1 535 46 46 ARG CG C 26.847 0.3 1 536 46 46 ARG N N 126.775 0.3 1 537 46 46 ARG NE N 84.140 0.3 1 538 47 47 LEU H H 8.894 0.020 1 539 47 47 LEU HA H 4.016 0.020 1 540 47 47 LEU HB2 H 1.342 0.020 2 541 47 47 LEU HB3 H 1.833 0.020 2 542 47 47 LEU HD1 H 0.959 0.020 2 543 47 47 LEU HD2 H 0.878 0.020 2 544 47 47 LEU HG H 1.764 0.020 1 545 47 47 LEU C C 179.332 0.3 1 546 47 47 LEU CA C 57.732 0.3 1 547 47 47 LEU CB C 41.823 0.3 1 548 47 47 LEU CD1 C 24.948 0.3 1 549 47 47 LEU CD2 C 22.936 0.3 1 550 47 47 LEU CG C 26.993 0.3 1 551 47 47 LEU N N 119.007 0.3 1 552 48 48 ALA H H 8.063 0.020 1 553 48 48 ALA HA H 3.891 0.020 1 554 48 48 ALA HB H 1.503 0.020 1 555 48 48 ALA C C 179.523 0.3 1 556 48 48 ALA CA C 55.218 0.3 1 557 48 48 ALA CB C 17.939 0.3 1 558 48 48 ALA N N 121.156 0.3 1 559 49 49 GLY H H 7.399 0.020 1 560 49 49 GLY HA2 H 4.398 0.020 2 561 49 49 GLY HA3 H 3.531 0.020 2 562 49 49 GLY C C 175.523 0.3 1 563 49 49 GLY CA C 47.206 0.3 1 564 49 49 GLY N N 105.315 0.3 1 565 50 50 CYS H H 8.105 0.020 1 566 50 50 CYS HA H 4.601 0.020 1 567 50 50 CYS HB2 H 3.249 0.020 2 568 50 50 CYS HB3 H 2.993 0.020 2 569 50 50 CYS C C 178.277 0.3 1 570 50 50 CYS CA C 55.363 0.3 1 571 50 50 CYS CB C 34.065 0.3 1 572 50 50 CYS N N 119.312 0.3 1 573 51 51 ALA H H 8.646 0.020 1 574 51 51 ALA HA H 3.874 0.020 1 575 51 51 ALA HB H 1.448 0.020 1 576 51 51 ALA C C 178.455 0.3 1 577 51 51 ALA CA C 55.578 0.3 1 578 51 51 ALA CB C 18.859 0.3 1 579 51 51 ALA N N 124.863 0.3 1 580 52 52 ILE H H 7.963 0.020 1 581 52 52 ILE HA H 3.572 0.020 1 582 52 52 ILE HB H 1.901 0.020 1 583 52 52 ILE HD1 H 0.326 0.020 1 584 52 52 ILE HG12 H 1.966 0.020 2 585 52 52 ILE HG13 H 0.781 0.020 2 586 52 52 ILE HG2 H 0.810 0.020 1 587 52 52 ILE C C 176.392 0.3 1 588 52 52 ILE CA C 66.101 0.3 1 589 52 52 ILE CB C 36.934 0.3 1 590 52 52 ILE CD1 C 12.361 0.3 1 591 52 52 ILE CG1 C 30.195 0.3 1 592 52 52 ILE CG2 C 18.635 0.3 1 593 52 52 ILE N N 119.609 0.3 1 594 53 53 ASN H H 7.993 0.020 1 595 53 53 ASN HA H 4.424 0.020 1 596 53 53 ASN HB2 H 3.012 0.020 2 597 53 53 ASN HB3 H 2.772 0.020 2 598 53 53 ASN HD21 H 7.881 0.020 1 599 53 53 ASN HD22 H 5.782 0.020 1 600 53 53 ASN C C 177.374 0.3 1 601 53 53 ASN CA C 55.614 0.3 1 602 53 53 ASN CB C 36.311 0.3 1 603 53 53 ASN N N 118.468 0.3 1 604 53 53 ASN ND2 N 105.345 0.3 1 605 54 54 CYS H H 7.787 0.020 1 606 54 54 CYS HA H 4.384 0.020 1 607 54 54 CYS HB2 H 3.451 0.020 2 608 54 54 CYS HB3 H 3.294 0.020 2 609 54 54 CYS C C 177.364 0.3 1 610 54 54 CYS CA C 59.724 0.3 1 611 54 54 CYS CB C 41.311 0.3 1 612 54 54 CYS N N 120.148 0.3 1 613 55 55 LEU H H 8.686 0.020 1 614 55 55 LEU HA H 3.647 0.020 1 615 55 55 LEU HB2 H 2.281 0.020 2 616 55 55 LEU HB3 H 1.148 0.020 2 617 55 55 LEU HD1 H 0.883 0.020 2 618 55 55 LEU HD2 H 0.417 0.020 2 619 55 55 LEU HG H 1.827 0.020 1 620 55 55 LEU C C 177.683 0.3 1 621 55 55 LEU CA C 58.382 0.3 1 622 55 55 LEU CB C 42.806 0.3 1 623 55 55 LEU CD1 C 26.342 0.3 1 624 55 55 LEU CD2 C 23.229 0.3 1 625 55 55 LEU CG C 26.298 0.3 1 626 55 55 LEU N N 128.783 0.3 1 627 56 56 ALA H H 7.955 0.020 1 628 56 56 ALA HA H 4.086 0.020 1 629 56 56 ALA HB H 1.678 0.020 1 630 56 56 ALA C C 177.382 0.3 1 631 56 56 ALA CA C 53.738 0.3 1 632 56 56 ALA CB C 19.292 0.3 1 633 56 56 ALA N N 118.326 0.3 1 634 57 57 THR H H 7.805 0.020 1 635 57 57 THR HA H 4.711 0.020 1 636 57 57 THR HB H 4.608 0.020 1 637 57 57 THR HG2 H 1.375 0.020 1 638 57 57 THR C C 174.362 0.3 1 639 57 57 THR CA C 61.977 0.3 1 640 57 57 THR CB C 70.028 0.3 1 641 57 57 THR CG2 C 21.586 0.3 1 642 57 57 THR N N 107.585 0.3 1 643 58 58 LYS H H 7.859 0.020 1 644 58 58 LYS HA H 4.969 0.020 1 645 58 58 LYS HB2 H 1.994 0.020 2 646 58 58 LYS HB3 H 1.753 0.020 2 647 58 58 LYS HD2 H 1.679 0.020 2 648 58 58 LYS HD3 H 1.544 0.020 2 649 58 58 LYS HE2 H 2.857 0.020 2 650 58 58 LYS HE3 H 2.761 0.020 2 651 58 58 LYS HG2 H 1.538 0.020 2 652 58 58 LYS HG3 H 1.378 0.020 2 653 58 58 LYS C C 177.564 0.3 1 654 58 58 LYS CA C 53.967 0.3 1 655 58 58 LYS CB C 32.877 0.3 1 656 58 58 LYS CD C 29.413 0.3 1 657 58 58 LYS CE C 43.272 0.3 1 658 58 58 LYS CG C 24.634 0.3 1 659 58 58 LYS N N 123.945 0.3 1 660 59 59 LEU H H 8.145 0.020 1 661 59 59 LEU HA H 3.644 0.020 1 662 59 59 LEU HB2 H 1.777 0.020 2 663 59 59 LEU HB3 H 1.141 0.020 2 664 59 59 LEU HD1 H 0.683 0.020 2 665 59 59 LEU HD2 H 0.565 0.020 2 666 59 59 LEU HG H 1.851 0.020 1 667 59 59 LEU C C 177.501 0.3 1 668 59 59 LEU CA C 58.542 0.3 1 669 59 59 LEU CB C 39.708 0.3 1 670 59 59 LEU CD1 C 25.673 0.3 1 671 59 59 LEU CD2 C 22.148 0.3 1 672 59 59 LEU CG C 25.908 0.3 1 673 59 59 LEU N N 120.336 0.3 1 674 60 60 ASP H H 8.904 0.020 1 675 60 60 ASP HA H 4.272 0.020 1 676 60 60 ASP HB2 H 2.700 0.020 2 677 60 60 ASP HB3 H 2.640 0.020 2 678 60 60 ASP C C 175.439 0.3 1 679 60 60 ASP CA C 54.783 0.3 1 680 60 60 ASP CB C 38.789 0.3 1 681 60 60 ASP N N 114.074 0.3 1 682 61 61 VAL H H 7.247 0.020 1 683 61 61 VAL HA H 3.695 0.020 1 684 61 61 VAL HB H 2.106 0.020 1 685 61 61 VAL HG1 H 0.947 0.020 2 686 61 61 VAL HG2 H 0.899 0.020 2 687 61 61 VAL C C 176.433 0.3 1 688 61 61 VAL CA C 64.018 0.3 1 689 61 61 VAL CB C 32.648 0.3 1 690 61 61 VAL CG1 C 21.459 0.3 1 691 61 61 VAL CG2 C 21.352 0.3 1 692 61 61 VAL N N 120.270 0.3 1 693 62 62 VAL H H 7.649 0.020 1 694 62 62 VAL HA H 3.157 0.020 1 695 62 62 VAL HB H 1.654 0.020 1 696 62 62 VAL HG1 H 0.781 0.020 2 697 62 62 VAL HG2 H 0.657 0.020 2 698 62 62 VAL C C 173.960 0.3 1 699 62 62 VAL CA C 66.263 0.3 1 700 62 62 VAL CB C 32.066 0.3 1 701 62 62 VAL CG1 C 22.470 0.3 1 702 62 62 VAL CG2 C 21.140 0.3 1 703 62 62 VAL N N 116.310 0.3 1 704 63 63 ASP H H 7.863 0.020 1 705 63 63 ASP HA H 5.307 0.020 1 706 63 63 ASP HB2 H 2.922 0.020 2 707 63 63 ASP HB3 H 2.210 0.020 2 708 63 63 ASP C C 173.390 0.3 1 709 63 63 ASP CA C 50.666 0.3 1 710 63 63 ASP CB C 42.777 0.3 1 711 63 63 ASP N N 112.349 0.3 1 712 64 64 PRO HA H 4.611 0.020 1 713 64 64 PRO HB2 H 2.405 0.020 2 714 64 64 PRO HB3 H 1.998 0.020 2 715 64 64 PRO HD2 H 3.865 0.020 2 716 64 64 PRO HD3 H 3.501 0.020 2 717 64 64 PRO HG2 H 1.991 0.020 1 718 64 64 PRO HG3 H 1.991 0.020 1 719 64 64 PRO C C 177.078 0.3 1 720 64 64 PRO CA C 63.773 0.3 1 721 64 64 PRO CB C 31.948 0.3 1 722 64 64 PRO CD C 50.782 0.3 1 723 64 64 PRO CG C 27.129 0.3 1 724 65 65 ASP H H 7.690 0.020 1 725 65 65 ASP HA H 4.581 0.020 1 726 65 65 ASP HB2 H 2.943 0.020 2 727 65 65 ASP HB3 H 2.778 0.020 2 728 65 65 ASP C C 177.300 0.3 1 729 65 65 ASP CA C 55.303 0.3 1 730 65 65 ASP CB C 40.727 0.3 1 731 65 65 ASP N N 116.436 0.3 1 732 66 66 GLY H H 7.982 0.020 1 733 66 66 GLY HA2 H 4.123 0.020 2 734 66 66 GLY HA3 H 3.872 0.020 2 735 66 66 GLY C C 174.386 0.3 1 736 66 66 GLY CA C 46.806 0.3 1 737 66 66 GLY N N 106.259 0.3 1 738 67 67 ASN H H 8.293 0.020 1 739 67 67 ASN HA H 4.813 0.020 1 740 67 67 ASN HB2 H 3.006 0.020 2 741 67 67 ASN HB3 H 2.371 0.020 2 742 67 67 ASN HD21 H 8.523 0.020 1 743 67 67 ASN HD22 H 7.399 0.020 1 744 67 67 ASN C C 174.656 0.3 1 745 67 67 ASN CA C 54.251 0.3 1 746 67 67 ASN CB C 39.286 0.3 1 747 67 67 ASN N N 114.987 0.3 1 748 67 67 ASN ND2 N 117.080 0.3 1 749 68 68 LEU H H 8.936 0.020 1 750 68 68 LEU HA H 4.178 0.020 1 751 68 68 LEU HB2 H 1.037 0.020 2 752 68 68 LEU HB3 H 1.659 0.020 2 753 68 68 LEU HD1 H 0.467 0.020 2 754 68 68 LEU HD2 H 0.200 0.020 2 755 68 68 LEU HG H 1.175 0.020 1 756 68 68 LEU C C 172.978 0.3 1 757 68 68 LEU CA C 54.964 0.3 1 758 68 68 LEU CB C 42.874 0.3 1 759 68 68 LEU CD1 C 22.127 0.3 1 760 68 68 LEU CD2 C 25.387 0.3 1 761 68 68 LEU CG C 26.278 0.3 1 762 68 68 LEU N N 124.648 0.3 1 763 69 69 HIS H H 7.223 0.020 1 764 69 69 HIS HA H 4.964 0.020 1 765 69 69 HIS HB2 H 3.371 0.020 2 766 69 69 HIS HB3 H 3.034 0.020 2 767 69 69 HIS HD2 H 7.255 0.020 1 768 69 69 HIS C C 173.591 0.3 1 769 69 69 HIS CA C 52.764 0.3 1 770 69 69 HIS CB C 32.019 0.3 1 771 69 69 HIS CD2 C 120.617 0.3 1 772 69 69 HIS N N 120.650 0.3 1 773 70 70 HIS H H 9.335 0.020 1 774 70 70 HIS HA H 4.648 0.020 1 775 70 70 HIS HB2 H 3.272 0.020 2 776 70 70 HIS HB3 H 3.214 0.020 2 777 70 70 HIS HD2 H 7.312 0.020 1 778 70 70 HIS C C 176.455 0.3 1 779 70 70 HIS CA C 57.728 0.3 1 780 70 70 HIS CB C 27.222 0.3 1 781 70 70 HIS CD2 C 119.911 0.3 1 782 70 70 HIS N N 121.902 0.3 1 783 71 71 GLY H H 9.592 0.020 1 784 71 71 GLY HA2 H 3.992 0.020 2 785 71 71 GLY HA3 H 3.672 0.020 2 786 71 71 GLY C C 173.348 0.3 1 787 71 71 GLY CA C 45.271 0.3 1 788 71 71 GLY N N 116.978 0.3 1 789 72 72 ASN H H 7.834 0.020 1 790 72 72 ASN HA H 4.931 0.020 1 791 72 72 ASN HB2 H 2.896 0.020 2 792 72 72 ASN HB3 H 2.695 0.020 2 793 72 72 ASN HD21 H 7.720 0.020 1 794 72 72 ASN HD22 H 7.135 0.020 1 795 72 72 ASN C C 173.611 0.3 1 796 72 72 ASN CA C 53.289 0.3 1 797 72 72 ASN CB C 38.824 0.3 1 798 72 72 ASN N N 115.019 0.3 1 799 72 72 ASN ND2 N 111.544 0.3 1 800 73 73 ALA H H 9.141 0.020 1 801 73 73 ALA HA H 4.577 0.020 1 802 73 73 ALA HB H 1.206 0.020 1 803 73 73 ALA C C 176.800 0.3 1 804 73 73 ALA CA C 51.651 0.3 1 805 73 73 ALA CB C 19.050 0.3 1 806 73 73 ALA N N 128.334 0.3 1 807 74 74 LYS H H 7.908 0.020 1 808 74 74 LYS HA H 3.863 0.020 1 809 74 74 LYS HB2 H 2.023 0.020 2 810 74 74 LYS HB3 H 1.900 0.020 2 811 74 74 LYS HD2 H 1.737 0.020 1 812 74 74 LYS HD3 H 1.737 0.020 1 813 74 74 LYS HE2 H 3.018 0.020 1 814 74 74 LYS HE3 H 3.018 0.020 1 815 74 74 LYS HG2 H 1.352 0.020 1 816 74 74 LYS HG3 H 1.352 0.020 1 817 74 74 LYS C C 176.996 0.3 1 818 74 74 LYS CA C 61.423 0.3 1 819 74 74 LYS CB C 32.800 0.3 1 820 74 74 LYS CD C 29.688 0.3 1 821 74 74 LYS CE C 42.099 0.3 1 822 74 74 LYS CG C 25.130 0.3 1 823 74 74 LYS N N 122.038 0.3 1 824 75 75 ASP H H 8.267 0.020 1 825 75 75 ASP HA H 4.392 0.020 1 826 75 75 ASP HB2 H 2.803 0.020 2 827 75 75 ASP HB3 H 2.624 0.020 2 828 75 75 ASP C C 178.644 0.3 1 829 75 75 ASP CA C 57.491 0.3 1 830 75 75 ASP CB C 39.732 0.3 1 831 75 75 ASP N N 118.186 0.3 1 832 76 76 PHE H H 8.033 0.020 1 833 76 76 PHE HA H 4.002 0.020 1 834 76 76 PHE HB2 H 3.032 0.020 2 835 76 76 PHE HB3 H 2.621 0.020 2 836 76 76 PHE HD1 H 7.137 0.020 1 837 76 76 PHE HD2 H 7.137 0.020 1 838 76 76 PHE HE1 H 6.706 0.020 1 839 76 76 PHE HE2 H 6.706 0.020 1 840 76 76 PHE C C 177.975 0.3 1 841 76 76 PHE CA C 61.220 0.3 1 842 76 76 PHE CB C 39.357 0.3 1 843 76 76 PHE CD1 C 131.305 0.3 1 844 76 76 PHE CD2 C 131.305 0.3 1 845 76 76 PHE CE1 C 129.013 0.3 1 846 76 76 PHE CE2 C 129.013 0.3 1 847 76 76 PHE N N 119.495 0.3 1 848 77 77 ALA H H 9.507 0.020 1 849 77 77 ALA HA H 3.871 0.020 1 850 77 77 ALA HB H 1.520 0.020 1 851 77 77 ALA C C 179.812 0.3 1 852 77 77 ALA CA C 55.654 0.3 1 853 77 77 ALA CB C 17.247 0.3 1 854 77 77 ALA N N 125.976 0.3 1 855 78 78 MET H H 8.235 0.020 1 856 78 78 MET HA H 5.082 0.020 1 857 78 78 MET HB2 H 2.282 0.020 2 858 78 78 MET HB3 H 2.048 0.020 2 859 78 78 MET HE H 2.100 0.020 1 860 78 78 MET HG2 H 2.744 0.020 2 861 78 78 MET HG3 H 2.418 0.020 2 862 78 78 MET C C 177.769 0.3 1 863 78 78 MET CA C 57.203 0.3 1 864 78 78 MET CB C 32.315 0.3 1 865 78 78 MET CE C 16.582 0.3 1 866 78 78 MET CG C 31.889 0.3 1 867 78 78 MET N N 116.007 0.3 1 868 79 79 LYS H H 7.314 0.020 1 869 79 79 LYS HA H 4.364 0.020 1 870 79 79 LYS HB2 H 1.748 0.020 2 871 79 79 LYS HB3 H 1.547 0.020 2 872 79 79 LYS HD2 H 1.740 0.020 1 873 79 79 LYS HD3 H 1.740 0.020 1 874 79 79 LYS HE2 H 2.940 0.020 1 875 79 79 LYS HE3 H 2.940 0.020 1 876 79 79 LYS HG2 H 1.425 0.020 1 877 79 79 LYS HG3 H 1.425 0.020 1 878 79 79 LYS C C 175.916 0.3 1 879 79 79 LYS CA C 55.663 0.3 1 880 79 79 LYS CB C 32.777 0.3 1 881 79 79 LYS CD C 29.215 0.3 1 882 79 79 LYS CE C 42.037 0.3 1 883 79 79 LYS CG C 25.174 0.3 1 884 79 79 LYS N N 117.664 0.3 1 885 80 80 HIS H H 7.710 0.020 1 886 80 80 HIS HA H 4.584 0.020 1 887 80 80 HIS HB2 H 3.570 0.020 2 888 80 80 HIS HB3 H 2.217 0.020 2 889 80 80 HIS HD2 H 6.905 0.020 1 890 80 80 HIS HE1 H 8.497 0.020 1 891 80 80 HIS C C 173.263 0.3 1 892 80 80 HIS CA C 55.888 0.3 1 893 80 80 HIS CB C 27.909 0.3 1 894 80 80 HIS CD2 C 119.344 0.3 1 895 80 80 HIS CE1 C 135.415 0.3 1 896 80 80 HIS N N 117.587 0.3 1 897 81 81 GLY H H 8.055 0.020 1 898 81 81 GLY HA2 H 4.287 0.020 2 899 81 81 GLY HA3 H 3.585 0.020 2 900 81 81 GLY C C 173.813 0.3 1 901 81 81 GLY CA C 45.679 0.3 1 902 81 81 GLY N N 104.503 0.3 1 903 82 82 ALA H H 7.897 0.020 1 904 82 82 ALA HA H 4.617 0.020 1 905 82 82 ALA HB H 1.223 0.020 1 906 82 82 ALA C C 175.894 0.3 1 907 82 82 ALA CA C 50.402 0.3 1 908 82 82 ALA CB C 20.313 0.3 1 909 82 82 ALA N N 122.585 0.3 1 910 83 83 ASP H H 7.357 0.020 1 911 83 83 ASP HA H 4.702 0.020 1 912 83 83 ASP HB2 H 3.225 0.020 2 913 83 83 ASP HB3 H 2.665 0.020 2 914 83 83 ASP C C 175.533 0.3 1 915 83 83 ASP CA C 52.057 0.3 1 916 83 83 ASP CB C 40.579 0.3 1 917 83 83 ASP N N 121.009 0.3 1 918 84 84 GLU H H 8.754 0.020 1 919 84 84 GLU HA H 3.972 0.020 1 920 84 84 GLU HB2 H 2.080 0.020 1 921 84 84 GLU HB3 H 2.080 0.020 1 922 84 84 GLU HG2 H 2.381 0.020 1 923 84 84 GLU HG3 H 2.381 0.020 1 924 84 84 GLU C C 178.505 0.3 1 925 84 84 GLU CA C 60.658 0.3 1 926 84 84 GLU CB C 29.386 0.3 1 927 84 84 GLU CG C 36.230 0.3 1 928 84 84 GLU N N 117.362 0.3 1 929 85 85 THR H H 7.839 0.020 1 930 85 85 THR HA H 3.948 0.020 1 931 85 85 THR HB H 4.212 0.020 1 932 85 85 THR HG2 H 1.198 0.020 1 933 85 85 THR C C 176.634 0.3 1 934 85 85 THR CA C 66.314 0.3 1 935 85 85 THR CB C 68.293 0.3 1 936 85 85 THR CG2 C 21.582 0.3 1 937 85 85 THR N N 116.978 0.3 1 938 86 86 MET H H 8.779 0.020 1 939 86 86 MET HA H 4.092 0.020 1 940 86 86 MET HB2 H 1.848 0.020 2 941 86 86 MET HB3 H 1.698 0.020 2 942 86 86 MET HE H 1.183 0.020 1 943 86 86 MET HG2 H 2.266 0.020 2 944 86 86 MET HG3 H 0.915 0.020 2 945 86 86 MET C C 177.733 0.3 1 946 86 86 MET CA C 58.917 0.3 1 947 86 86 MET CB C 35.576 0.3 1 948 86 86 MET CE C 16.660 0.3 1 949 86 86 MET CG C 31.321 0.3 1 950 86 86 MET N N 123.707 0.3 1 951 87 87 ALA H H 8.561 0.020 1 952 87 87 ALA HA H 3.893 0.020 1 953 87 87 ALA HB H 1.447 0.020 1 954 87 87 ALA C C 180.067 0.3 1 955 87 87 ALA CA C 55.383 0.3 1 956 87 87 ALA CB C 17.864 0.3 1 957 87 87 ALA N N 119.270 0.3 1 958 88 88 GLN H H 8.021 0.020 1 959 88 88 GLN HA H 4.031 0.020 1 960 88 88 GLN HB2 H 2.303 0.020 2 961 88 88 GLN HB3 H 2.261 0.020 2 962 88 88 GLN HE21 H 7.972 0.020 1 963 88 88 GLN HE22 H 6.893 0.020 1 964 88 88 GLN HG2 H 2.459 0.020 1 965 88 88 GLN HG3 H 2.459 0.020 1 966 88 88 GLN C C 176.845 0.3 1 967 88 88 GLN CA C 57.565 0.3 1 968 88 88 GLN CB C 28.072 0.3 1 969 88 88 GLN CG C 33.153 0.3 1 970 88 88 GLN N N 119.346 0.3 1 971 88 88 GLN NE2 N 116.514 0.3 1 972 89 89 GLN H H 8.420 0.020 1 973 89 89 GLN HA H 4.268 0.020 1 974 89 89 GLN HB2 H 2.682 0.020 2 975 89 89 GLN HB3 H 2.247 0.020 2 976 89 89 GLN HE21 H 7.650 0.020 1 977 89 89 GLN HE22 H 7.031 0.020 1 978 89 89 GLN HG2 H 2.815 0.020 2 979 89 89 GLN HG3 H 2.421 0.020 2 980 89 89 GLN C C 179.434 0.3 1 981 89 89 GLN CA C 59.344 0.3 1 982 89 89 GLN CB C 29.210 0.3 1 983 89 89 GLN CG C 34.606 0.3 1 984 89 89 GLN N N 119.075 0.3 1 985 89 89 GLN NE2 N 112.287 0.3 1 986 90 90 LEU H H 7.876 0.020 1 987 90 90 LEU HA H 4.189 0.020 1 988 90 90 LEU HB2 H 2.184 0.020 2 989 90 90 LEU HB3 H 1.402 0.020 2 990 90 90 LEU HD1 H 1.144 0.020 2 991 90 90 LEU HD2 H 0.774 0.020 2 992 90 90 LEU HG H 2.466 0.020 1 993 90 90 LEU C C 178.014 0.3 1 994 90 90 LEU CA C 58.105 0.3 1 995 90 90 LEU CB C 41.664 0.3 1 996 90 90 LEU CD1 C 26.949 0.3 1 997 90 90 LEU CD2 C 22.461 0.3 1 998 90 90 LEU CG C 26.079 0.3 1 999 90 90 LEU N N 114.606 0.3 1 1000 91 91 VAL H H 7.494 0.020 1 1001 91 91 VAL HA H 3.759 0.020 1 1002 91 91 VAL HB H 2.125 0.020 1 1003 91 91 VAL HG1 H 0.736 0.020 2 1004 91 91 VAL HG2 H 0.885 0.020 2 1005 91 91 VAL C C 177.004 0.3 1 1006 91 91 VAL CA C 64.378 0.3 1 1007 91 91 VAL CB C 30.805 0.3 1 1008 91 91 VAL CG1 C 23.304 0.3 1 1009 91 91 VAL CG2 C 20.725 0.3 1 1010 91 91 VAL N N 119.588 0.3 1 1011 92 92 ASP H H 8.566 0.020 1 1012 92 92 ASP HA H 4.473 0.020 1 1013 92 92 ASP HB2 H 2.953 0.020 2 1014 92 92 ASP HB3 H 2.740 0.020 2 1015 92 92 ASP C C 180.290 0.3 1 1016 92 92 ASP CA C 57.708 0.3 1 1017 92 92 ASP CB C 39.392 0.3 1 1018 92 92 ASP N N 122.957 0.3 1 1019 93 93 ILE H H 7.946 0.020 1 1020 93 93 ILE HA H 3.904 0.020 1 1021 93 93 ILE HB H 2.120 0.020 1 1022 93 93 ILE HD1 H 0.772 0.020 1 1023 93 93 ILE HG12 H 2.090 0.020 2 1024 93 93 ILE HG13 H 1.167 0.020 2 1025 93 93 ILE HG2 H 1.037 0.020 1 1026 93 93 ILE C C 179.075 0.3 1 1027 93 93 ILE CA C 65.163 0.3 1 1028 93 93 ILE CB C 38.266 0.3 1 1029 93 93 ILE CD1 C 14.802 0.3 1 1030 93 93 ILE CG1 C 29.227 0.3 1 1031 93 93 ILE CG2 C 19.825 0.3 1 1032 93 93 ILE N N 120.249 0.3 1 1033 94 94 ILE H H 8.345 0.020 1 1034 94 94 ILE HA H 3.879 0.020 1 1035 94 94 ILE HB H 1.593 0.020 1 1036 94 94 ILE HD1 H 0.177 0.020 1 1037 94 94 ILE HG12 H 1.178 0.020 1 1038 94 94 ILE HG13 H 1.178 0.020 1 1039 94 94 ILE HG2 H 0.969 0.020 1 1040 94 94 ILE C C 177.226 0.3 1 1041 94 94 ILE CA C 66.157 0.3 1 1042 94 94 ILE CB C 37.203 0.3 1 1043 94 94 ILE CD1 C 13.522 0.3 1 1044 94 94 ILE CG1 C 31.134 0.3 1 1045 94 94 ILE CG2 C 17.277 0.3 1 1046 94 94 ILE N N 122.295 0.3 1 1047 95 95 HIS H H 8.914 0.020 1 1048 95 95 HIS HA H 4.665 0.020 1 1049 95 95 HIS HB2 H 3.464 0.020 2 1050 95 95 HIS HB3 H 3.284 0.020 2 1051 95 95 HIS HD2 H 7.337 0.020 1 1052 95 95 HIS C C 178.165 0.3 1 1053 95 95 HIS CA C 57.072 0.3 1 1054 95 95 HIS CB C 28.154 0.3 1 1055 95 95 HIS CD2 C 117.640 0.3 1 1056 95 95 HIS N N 121.253 0.3 1 1057 96 96 GLY H H 8.244 0.020 1 1058 96 96 GLY HA2 H 4.164 0.020 2 1059 96 96 GLY HA3 H 3.971 0.020 2 1060 96 96 GLY C C 176.750 0.3 1 1061 96 96 GLY CA C 47.426 0.3 1 1062 96 96 GLY N N 108.771 0.3 1 1063 97 97 CYS H H 8.220 0.020 1 1064 97 97 CYS HA H 4.728 0.020 1 1065 97 97 CYS HB2 H 3.381 0.020 2 1066 97 97 CYS HB3 H 3.151 0.020 2 1067 97 97 CYS C C 176.657 0.3 1 1068 97 97 CYS CA C 57.193 0.3 1 1069 97 97 CYS CB C 38.623 0.3 1 1070 97 97 CYS N N 121.738 0.3 1 1071 98 98 GLU H H 8.515 0.020 1 1072 98 98 GLU HA H 4.029 0.020 1 1073 98 98 GLU HB2 H 2.455 0.020 2 1074 98 98 GLU HB3 H 2.173 0.020 2 1075 98 98 GLU HG2 H 2.698 0.020 2 1076 98 98 GLU HG3 H 2.512 0.020 2 1077 98 98 GLU C C 178.266 0.3 1 1078 98 98 GLU CA C 58.981 0.3 1 1079 98 98 GLU CB C 28.316 0.3 1 1080 98 98 GLU CG C 34.207 0.3 1 1081 98 98 GLU N N 120.528 0.3 1 1082 99 99 LYS H H 7.777 0.020 1 1083 99 99 LYS HA H 4.215 0.020 1 1084 99 99 LYS HB2 H 2.000 0.020 1 1085 99 99 LYS HB3 H 2.000 0.020 1 1086 99 99 LYS HD2 H 1.708 0.020 1 1087 99 99 LYS HD3 H 1.708 0.020 1 1088 99 99 LYS HE2 H 2.981 0.020 1 1089 99 99 LYS HE3 H 2.981 0.020 1 1090 99 99 LYS HG2 H 1.620 0.020 1 1091 99 99 LYS HG3 H 1.620 0.020 1 1092 99 99 LYS C C 177.485 0.3 1 1093 99 99 LYS CA C 58.256 0.3 1 1094 99 99 LYS CB C 32.631 0.3 1 1095 99 99 LYS CD C 29.015 0.3 1 1096 99 99 LYS CE C 42.116 0.3 1 1097 99 99 LYS CG C 25.020 0.3 1 1098 99 99 LYS N N 118.199 0.3 1 1099 100 100 SER H H 7.908 0.020 1 1100 100 100 SER HA H 4.421 0.020 1 1101 100 100 SER HB2 H 4.039 0.020 2 1102 100 100 SER HB3 H 3.898 0.020 2 1103 100 100 SER C C 173.742 0.3 1 1104 100 100 SER CA C 58.696 0.3 1 1105 100 100 SER CB C 63.787 0.3 1 1106 100 100 SER N N 112.354 0.3 1 1107 101 101 ALA H H 7.246 0.020 1 1108 101 101 ALA HA H 4.554 0.020 1 1109 101 101 ALA HB H 1.398 0.020 1 1110 101 101 ALA C C 174.559 0.3 1 1111 101 101 ALA CA C 50.748 0.3 1 1112 101 101 ALA CB C 17.303 0.3 1 1113 101 101 ALA N N 127.042 0.3 1 1114 102 102 PRO HA H 4.685 0.020 1 1115 102 102 PRO HB2 H 2.362 0.020 2 1116 102 102 PRO HB3 H 1.876 0.020 2 1117 102 102 PRO HD2 H 3.954 0.020 2 1118 102 102 PRO HD3 H 3.639 0.020 2 1119 102 102 PRO HG2 H 2.084 0.020 2 1120 102 102 PRO HG3 H 2.028 0.020 2 1121 102 102 PRO CA C 61.320 0.3 1 1122 102 102 PRO CB C 30.826 0.3 1 1123 102 102 PRO CD C 50.457 0.3 1 1124 102 102 PRO CG C 27.539 0.3 1 1125 103 103 PRO HA H 4.336 0.020 1 1126 103 103 PRO HB2 H 2.251 0.020 2 1127 103 103 PRO HB3 H 1.892 0.020 2 1128 103 103 PRO HD2 H 3.825 0.020 2 1129 103 103 PRO HD3 H 3.663 0.020 2 1130 103 103 PRO HG2 H 2.039 0.020 1 1131 103 103 PRO HG3 H 2.039 0.020 1 1132 103 103 PRO C C 176.321 0.3 1 1133 103 103 PRO CA C 63.279 0.3 1 1134 103 103 PRO CB C 31.644 0.3 1 1135 103 103 PRO CD C 50.459 0.3 1 1136 103 103 PRO CG C 27.524 0.3 1 1137 104 104 ASN H H 8.368 0.020 1 1138 104 104 ASN HA H 4.612 0.020 1 1139 104 104 ASN HB2 H 2.690 0.020 1 1140 104 104 ASN HB3 H 2.690 0.020 1 1141 104 104 ASN HD21 H 8.020 0.020 1 1142 104 104 ASN HD22 H 6.841 0.020 1 1143 104 104 ASN C C 174.598 0.3 1 1144 104 104 ASN CA C 53.356 0.3 1 1145 104 104 ASN CB C 40.598 0.3 1 1146 104 104 ASN N N 119.522 0.3 1 1147 104 104 ASN ND2 N 113.452 0.3 1 1148 105 105 ASP H H 8.465 0.020 1 1149 105 105 ASP HA H 4.533 0.020 1 1150 105 105 ASP HB2 H 2.756 0.020 2 1151 105 105 ASP HB3 H 2.660 0.020 2 1152 105 105 ASP C C 175.611 0.3 1 1153 105 105 ASP CA C 54.835 0.3 1 1154 105 105 ASP CB C 40.172 0.3 1 1155 105 105 ASP N N 123.951 0.3 1 1156 106 106 ASP H H 8.526 0.020 1 1157 106 106 ASP HA H 4.699 0.020 1 1158 106 106 ASP HB2 H 2.924 0.020 2 1159 106 106 ASP HB3 H 2.732 0.020 2 1160 106 106 ASP C C 175.808 0.3 1 1161 106 106 ASP CA C 52.415 0.3 1 1162 106 106 ASP CB C 40.722 0.3 1 1163 106 106 ASP N N 120.423 0.3 1 1164 107 107 LYS H H 8.763 0.020 1 1165 107 107 LYS HA H 3.981 0.020 1 1166 107 107 LYS HB2 H 1.790 0.020 1 1167 107 107 LYS HD2 H 1.714 0.020 1 1168 107 107 LYS HD3 H 1.714 0.020 1 1169 107 107 LYS HE2 H 2.999 0.020 1 1170 107 107 LYS HE3 H 2.999 0.020 1 1171 107 107 LYS HG2 H 1.565 0.020 2 1172 107 107 LYS HG3 H 1.500 0.020 2 1173 107 107 LYS C C 179.766 0.3 1 1174 107 107 LYS CA C 59.015 0.3 1 1175 107 107 LYS CB C 32.519 0.3 1 1176 107 107 LYS CD C 29.215 0.3 1 1177 107 107 LYS CE C 42.052 0.3 1 1178 107 107 LYS CG C 25.418 0.3 1 1179 107 107 LYS N N 124.152 0.3 1 1180 108 108 CYS H H 8.204 0.020 1 1181 108 108 CYS HA H 4.092 0.020 1 1182 108 108 CYS HB2 H 3.659 0.020 2 1183 108 108 CYS HB3 H 3.315 0.020 2 1184 108 108 CYS C C 175.271 0.3 1 1185 108 108 CYS CA C 60.860 0.3 1 1186 108 108 CYS CB C 43.630 0.3 1 1187 108 108 CYS N N 116.321 0.3 1 1188 109 109 MET H H 7.515 0.020 1 1189 109 109 MET HA H 4.381 0.020 1 1190 109 109 MET HB2 H 1.995 0.020 2 1191 109 109 MET HB3 H 2.044 0.020 2 1192 109 109 MET HE H 2.059 0.020 1 1193 109 109 MET HG2 H 2.744 0.020 2 1194 109 109 MET HG3 H 2.548 0.020 2 1195 109 109 MET C C 177.870 0.3 1 1196 109 109 MET CA C 55.973 0.3 1 1197 109 109 MET CB C 30.776 0.3 1 1198 109 109 MET CE C 15.882 0.3 1 1199 109 109 MET CG C 31.488 0.3 1 1200 109 109 MET N N 118.332 0.3 1 1201 110 110 LYS H H 8.420 0.020 1 1202 110 110 LYS HA H 4.300 0.020 1 1203 110 110 LYS HB2 H 1.805 0.020 1 1204 110 110 LYS HB3 H 1.805 0.020 1 1205 110 110 LYS HD2 H 1.923 0.020 1 1206 110 110 LYS HD3 H 1.923 0.020 1 1207 110 110 LYS HE2 H 2.986 0.020 1 1208 110 110 LYS HE3 H 2.986 0.020 1 1209 110 110 LYS HG2 H 1.543 0.020 2 1210 110 110 LYS HG3 H 1.492 0.020 2 1211 110 110 LYS C C 178.007 0.3 1 1212 110 110 LYS CA C 59.107 0.3 1 1213 110 110 LYS CB C 31.956 0.3 1 1214 110 110 LYS CD C 29.190 0.3 1 1215 110 110 LYS CE C 42.129 0.3 1 1216 110 110 LYS CG C 24.536 0.3 1 1217 110 110 LYS N N 120.738 0.3 1 1218 111 111 THR H H 7.385 0.020 1 1219 111 111 THR HA H 3.753 0.020 1 1220 111 111 THR HB H 4.155 0.020 1 1221 111 111 THR HG2 H 1.140 0.020 1 1222 111 111 THR C C 175.245 0.3 1 1223 111 111 THR CA C 67.045 0.3 1 1224 111 111 THR CB C 67.843 0.3 1 1225 111 111 THR CG2 C 23.523 0.3 1 1226 111 111 THR N N 115.131 0.3 1 1227 112 112 ILE H H 7.166 0.020 1 1228 112 112 ILE HA H 3.484 0.020 1 1229 112 112 ILE HB H 2.002 0.020 1 1230 112 112 ILE HD1 H 0.680 0.020 1 1231 112 112 ILE HG12 H 1.551 0.020 2 1232 112 112 ILE HG13 H 0.890 0.020 2 1233 112 112 ILE HG2 H 0.842 0.020 1 1234 112 112 ILE C C 176.523 0.3 1 1235 112 112 ILE CA C 65.533 0.3 1 1236 112 112 ILE CB C 37.210 0.3 1 1237 112 112 ILE CD1 C 13.278 0.3 1 1238 112 112 ILE CG1 C 28.770 0.3 1 1239 112 112 ILE CG2 C 17.623 0.3 1 1240 112 112 ILE N N 120.312 0.3 1 1241 113 113 ASP H H 8.117 0.020 1 1242 113 113 ASP HA H 4.471 0.020 1 1243 113 113 ASP HB2 H 2.969 0.020 2 1244 113 113 ASP HB3 H 2.765 0.020 2 1245 113 113 ASP C C 179.765 0.3 1 1246 113 113 ASP CA C 57.698 0.3 1 1247 113 113 ASP CB C 39.336 0.3 1 1248 113 113 ASP N N 119.951 0.3 1 1249 114 114 VAL H H 8.625 0.020 1 1250 114 114 VAL HA H 3.555 0.020 1 1251 114 114 VAL HB H 2.158 0.020 1 1252 114 114 VAL HG1 H 1.085 0.020 2 1253 114 114 VAL HG2 H 0.892 0.020 2 1254 114 114 VAL C C 176.981 0.3 1 1255 114 114 VAL CA C 67.648 0.3 1 1256 114 114 VAL CB C 32.109 0.3 1 1257 114 114 VAL CG1 C 23.535 0.3 1 1258 114 114 VAL CG2 C 20.850 0.3 1 1259 114 114 VAL N N 121.959 0.3 1 1260 115 115 ALA H H 8.868 0.020 1 1261 115 115 ALA HA H 4.120 0.020 1 1262 115 115 ALA HB H 1.462 0.020 1 1263 115 115 ALA C C 179.187 0.3 1 1264 115 115 ALA CA C 55.791 0.3 1 1265 115 115 ALA CB C 17.888 0.3 1 1266 115 115 ALA N N 122.103 0.3 1 1267 116 116 MET H H 9.025 0.020 1 1268 116 116 MET HA H 4.469 0.020 1 1269 116 116 MET HB2 H 2.949 0.020 2 1270 116 116 MET HB3 H 2.693 0.020 2 1271 116 116 MET HE H 2.155 0.020 1 1272 116 116 MET HG2 H 2.411 0.020 2 1273 116 116 MET HG3 H 2.128 0.020 2 1274 116 116 MET C C 178.533 0.3 1 1275 116 116 MET CA C 57.688 0.3 1 1276 116 116 MET CB C 31.851 0.3 1 1277 116 116 MET CE C 16.287 0.3 1 1278 116 116 MET CG C 31.154 0.3 1 1279 116 116 MET N N 115.763 0.3 1 1280 117 117 CYS H H 7.897 0.020 1 1281 117 117 CYS HA H 4.383 0.020 1 1282 117 117 CYS HB2 H 3.481 0.020 2 1283 117 117 CYS HB3 H 3.322 0.020 2 1284 117 117 CYS C C 174.880 0.3 1 1285 117 117 CYS CA C 59.718 0.3 1 1286 117 117 CYS CB C 36.489 0.3 1 1287 117 117 CYS N N 120.991 0.3 1 1288 118 118 PHE H H 8.814 0.020 1 1289 118 118 PHE HA H 4.070 0.020 1 1290 118 118 PHE HB2 H 3.380 0.020 2 1291 118 118 PHE HB3 H 3.098 0.020 2 1292 118 118 PHE HD1 H 7.030 0.020 1 1293 118 118 PHE HD2 H 7.030 0.020 1 1294 118 118 PHE HE1 H 7.570 0.020 1 1295 118 118 PHE HE2 H 7.570 0.020 1 1296 118 118 PHE HZ H 6.976 0.020 1 1297 118 118 PHE C C 175.893 0.3 1 1298 118 118 PHE CA C 60.979 0.3 1 1299 118 118 PHE CB C 39.738 0.3 1 1300 118 118 PHE CD1 C 131.378 0.3 1 1301 118 118 PHE CD2 C 131.378 0.3 1 1302 118 118 PHE CE1 C 131.148 0.3 1 1303 118 118 PHE CE2 C 131.148 0.3 1 1304 118 118 PHE CZ C 128.132 0.3 1 1305 118 118 PHE N N 123.258 0.3 1 1306 119 119 LYS H H 8.272 0.020 1 1307 119 119 LYS HA H 3.592 0.020 1 1308 119 119 LYS HB2 H 1.928 0.020 1 1309 119 119 LYS HB3 H 1.928 0.020 1 1310 119 119 LYS HD2 H 1.368 0.020 1 1311 119 119 LYS HD3 H 1.368 0.020 1 1312 119 119 LYS HE2 H 2.724 0.020 2 1313 119 119 LYS HE3 H 2.582 0.020 2 1314 119 119 LYS HG2 H 1.685 0.020 2 1315 119 119 LYS HG3 H 1.418 0.020 2 1316 119 119 LYS C C 177.754 0.3 1 1317 119 119 LYS CA C 59.307 0.3 1 1318 119 119 LYS CB C 32.294 0.3 1 1319 119 119 LYS CD C 29.093 0.3 1 1320 119 119 LYS CE C 41.597 0.3 1 1321 119 119 LYS CG C 24.988 0.3 1 1322 119 119 LYS N N 116.304 0.3 1 1323 120 120 LYS H H 7.828 0.020 1 1324 120 120 LYS HA H 4.051 0.020 1 1325 120 120 LYS HB2 H 2.009 0.020 1 1326 120 120 LYS HB3 H 2.009 0.020 1 1327 120 120 LYS HD2 H 1.588 0.020 1 1328 120 120 LYS HD3 H 1.588 0.020 1 1329 120 120 LYS HE2 H 2.949 0.020 1 1330 120 120 LYS HE3 H 2.949 0.020 1 1331 120 120 LYS HG2 H 1.380 0.020 1 1332 120 120 LYS HG3 H 1.380 0.020 1 1333 120 120 LYS C C 179.952 0.3 1 1334 120 120 LYS CA C 59.317 0.3 1 1335 120 120 LYS CB C 32.578 0.3 1 1336 120 120 LYS CD C 29.483 0.3 1 1337 120 120 LYS CE C 41.990 0.3 1 1338 120 120 LYS CG C 24.701 0.3 1 1339 120 120 LYS N N 118.113 0.3 1 1340 121 121 GLU H H 8.671 0.020 1 1341 121 121 GLU HA H 4.074 0.020 1 1342 121 121 GLU HB2 H 2.065 0.020 2 1343 121 121 GLU HB3 H 1.933 0.020 2 1344 121 121 GLU HG2 H 2.615 0.020 2 1345 121 121 GLU HG3 H 2.422 0.020 2 1346 121 121 GLU C C 180.248 0.3 1 1347 121 121 GLU CA C 58.514 0.3 1 1348 121 121 GLU CB C 30.471 0.3 1 1349 121 121 GLU CG C 35.820 0.3 1 1350 121 121 GLU N N 119.140 0.3 1 1351 122 122 ILE H H 8.199 0.020 1 1352 122 122 ILE HA H 3.673 0.020 1 1353 122 122 ILE HB H 1.535 0.020 1 1354 122 122 ILE HD1 H 0.249 0.020 1 1355 122 122 ILE HG12 H 1.039 0.020 2 1356 122 122 ILE HG13 H 0.940 0.020 2 1357 122 122 ILE HG2 H 0.245 0.020 1 1358 122 122 ILE C C 177.948 0.3 1 1359 122 122 ILE CA C 64.424 0.3 1 1360 122 122 ILE CB C 37.293 0.3 1 1361 122 122 ILE CD1 C 13.861 0.3 1 1362 122 122 ILE CG1 C 25.939 0.3 1 1363 122 122 ILE CG2 C 17.410 0.3 1 1364 122 122 ILE N N 115.280 0.3 1 1365 123 123 HIS H H 7.329 0.020 1 1366 123 123 HIS HA H 4.339 0.020 1 1367 123 123 HIS HB2 H 3.367 0.020 2 1368 123 123 HIS HB3 H 3.266 0.020 2 1369 123 123 HIS HD2 H 7.453 0.020 1 1370 123 123 HIS C C 174.204 0.3 1 1371 123 123 HIS CA C 57.633 0.3 1 1372 123 123 HIS CB C 28.058 0.3 1 1373 123 123 HIS CD2 C 119.855 0.3 1 1374 123 123 HIS N N 118.215 0.3 1 1375 124 124 LYS H H 7.475 0.020 1 1376 124 124 LYS HA H 4.241 0.020 1 1377 124 124 LYS HB2 H 2.011 0.020 1 1378 124 124 LYS HB3 H 2.011 0.020 1 1379 124 124 LYS HD2 H 1.729 0.020 1 1380 124 124 LYS HD3 H 1.729 0.020 1 1381 124 124 LYS HE2 H 2.931 0.020 1 1382 124 124 LYS HE3 H 2.931 0.020 1 1383 124 124 LYS HG2 H 1.476 0.020 1 1384 124 124 LYS HG3 H 1.476 0.020 1 1385 124 124 LYS C C 176.915 0.3 1 1386 124 124 LYS CA C 56.721 0.3 1 1387 124 124 LYS CB C 32.705 0.3 1 1388 124 124 LYS CD C 29.439 0.3 1 1389 124 124 LYS CE C 42.014 0.3 1 1390 124 124 LYS CG C 25.316 0.3 1 1391 124 124 LYS N N 115.946 0.3 1 1392 125 125 LEU H H 7.055 0.020 1 1393 125 125 LEU HA H 4.294 0.020 1 1394 125 125 LEU HB2 H 1.708 0.020 2 1395 125 125 LEU HB3 H 0.967 0.020 2 1396 125 125 LEU HD1 H 0.174 0.020 2 1397 125 125 LEU HD2 H 0.819 0.020 2 1398 125 125 LEU HG H 1.482 0.020 1 1399 125 125 LEU C C 176.201 0.3 1 1400 125 125 LEU CA C 54.356 0.3 1 1401 125 125 LEU CB C 43.092 0.3 1 1402 125 125 LEU CD1 C 24.800 0.3 1 1403 125 125 LEU CD2 C 21.990 0.3 1 1404 125 125 LEU CG C 26.466 0.3 1 1405 125 125 LEU N N 118.344 0.3 1 1406 126 126 ASN H H 8.710 0.020 1 1407 126 126 ASN HA H 4.770 0.020 1 1408 126 126 ASN HB2 H 3.141 0.020 2 1409 126 126 ASN HB3 H 2.955 0.020 2 1410 126 126 ASN HD21 H 7.663 0.020 1 1411 126 126 ASN HD22 H 6.966 0.020 1 1412 126 126 ASN C C 173.017 0.3 1 1413 126 126 ASN CA C 52.662 0.3 1 1414 126 126 ASN CB C 37.508 0.3 1 1415 126 126 ASN N N 117.185 0.3 1 1416 126 126 ASN ND2 N 111.454 0.3 1 1417 127 127 TRP H H 7.309 0.020 1 1418 127 127 TRP HA H 4.817 0.020 1 1419 127 127 TRP HB2 H 3.329 0.020 2 1420 127 127 TRP HB3 H 3.174 0.020 2 1421 127 127 TRP HD1 H 7.453 0.020 1 1422 127 127 TRP HE1 H 10.509 0.020 1 1423 127 127 TRP HE3 H 7.256 0.020 1 1424 127 127 TRP HH2 H 6.867 0.020 1 1425 127 127 TRP HZ2 H 7.552 0.020 1 1426 127 127 TRP HZ3 H 6.934 0.020 1 1427 127 127 TRP C C 172.925 0.3 1 1428 127 127 TRP CA C 53.834 0.3 1 1429 127 127 TRP CB C 29.838 0.3 1 1430 127 127 TRP CD1 C 127.700 0.3 1 1431 127 127 TRP CE3 C 120.573 0.3 1 1432 127 127 TRP CH2 C 122.175 0.3 1 1433 127 127 TRP CZ2 C 114.373 0.3 1 1434 127 127 TRP CZ3 C 120.694 0.3 1 1435 127 127 TRP N N 117.285 0.3 1 1436 127 127 TRP NE1 N 131.264 0.3 1 1437 128 128 VAL H H 8.868 0.020 1 1438 128 128 VAL HA H 4.181 0.020 1 1439 128 128 VAL HB H 2.018 0.020 1 1440 128 128 VAL HG1 H 0.845 0.020 2 1441 128 128 VAL HG2 H 0.771 0.020 2 1442 128 128 VAL C C 174.140 0.3 1 1443 128 128 VAL CA C 59.392 0.3 1 1444 128 128 VAL CB C 33.171 0.3 1 1445 128 128 VAL CG1 C 20.465 0.3 1 1446 128 128 VAL CG2 C 20.689 0.3 1 1447 128 128 VAL N N 120.175 0.3 1 1448 129 129 PRO HA H 4.694 0.020 1 1449 129 129 PRO HB2 H 2.004 0.020 2 1450 129 129 PRO HB3 H 1.785 0.020 2 1451 129 129 PRO HD2 H 3.251 0.020 2 1452 129 129 PRO HD3 H 3.168 0.020 2 1453 129 129 PRO HG2 H 1.369 0.020 2 1454 129 129 PRO HG3 H 0.704 0.020 2 1455 129 129 PRO C C 175.499 0.3 1 1456 129 129 PRO CA C 61.982 0.3 1 1457 129 129 PRO CB C 31.644 0.3 1 1458 129 129 PRO CD C 50.491 0.3 1 1459 129 129 PRO CG C 26.982 0.3 1 1460 130 130 ASN H H 8.125 0.020 1 1461 130 130 ASN HA H 4.609 0.020 1 1462 130 130 ASN HB2 H 3.236 0.020 2 1463 130 130 ASN HB3 H 2.995 0.020 2 1464 130 130 ASN HD21 H 7.760 0.020 1 1465 130 130 ASN HD22 H 7.373 0.020 1 1466 130 130 ASN C C 174.257 0.3 1 1467 130 130 ASN CA C 52.748 0.3 1 1468 130 130 ASN CB C 39.030 0.3 1 1469 130 130 ASN N N 120.742 0.3 1 1470 130 130 ASN ND2 N 114.686 0.3 1 1471 131 131 MET H H 8.581 0.020 1 1472 131 131 MET HA H 3.893 0.020 1 1473 131 131 MET HB2 H 1.779 0.020 1 1474 131 131 MET HB3 H 1.779 0.020 1 1475 131 131 MET HE H 1.895 0.020 1 1476 131 131 MET HG2 H 2.282 0.020 1 1477 131 131 MET HG3 H 2.282 0.020 1 1478 131 131 MET C C 176.754 0.3 1 1479 131 131 MET CA C 58.675 0.3 1 1480 131 131 MET CB C 32.615 0.3 1 1481 131 131 MET CE C 16.697 0.3 1 1482 131 131 MET CG C 31.422 0.3 1 1483 131 131 MET N N 117.846 0.3 1 1484 132 132 ASP H H 8.132 0.020 1 1485 132 132 ASP HA H 4.144 0.020 1 1486 132 132 ASP HB2 H 2.931 0.020 2 1487 132 132 ASP HB3 H 2.279 0.020 2 1488 132 132 ASP C C 178.127 0.3 1 1489 132 132 ASP CA C 57.522 0.3 1 1490 132 132 ASP CB C 39.788 0.3 1 1491 132 132 ASP N N 117.463 0.3 1 1492 133 133 LEU H H 7.883 0.020 1 1493 133 133 LEU HA H 4.145 0.020 1 1494 133 133 LEU HB2 H 1.536 0.020 2 1495 133 133 LEU HB3 H 2.110 0.020 2 1496 133 133 LEU HD1 H 1.043 0.020 2 1497 133 133 LEU HD2 H 1.189 0.020 2 1498 133 133 LEU HG H 1.190 0.020 1 1499 133 133 LEU C C 178.140 0.3 1 1500 133 133 LEU CA C 57.542 0.3 1 1501 133 133 LEU CB C 41.964 0.3 1 1502 133 133 LEU CD1 C 24.878 0.3 1 1503 133 133 LEU CD2 C 26.382 0.3 1 1504 133 133 LEU CG C 26.437 0.3 1 1505 133 133 LEU N N 118.415 0.3 1 1506 134 134 VAL H H 7.779 0.020 1 1507 134 134 VAL HA H 3.610 0.020 1 1508 134 134 VAL HB H 2.217 0.020 1 1509 134 134 VAL HG1 H 1.082 0.020 2 1510 134 134 VAL HG2 H 0.959 0.020 2 1511 134 134 VAL C C 176.594 0.3 1 1512 134 134 VAL CA C 67.529 0.3 1 1513 134 134 VAL CB C 31.905 0.3 1 1514 134 134 VAL CG1 C 20.692 0.3 1 1515 134 134 VAL CG2 C 22.887 0.3 1 1516 134 134 VAL N N 118.424 0.3 1 1517 135 135 ILE H H 8.109 0.020 1 1518 135 135 ILE HA H 3.166 0.020 1 1519 135 135 ILE HB H 1.382 0.020 1 1520 135 135 ILE HD1 H -0.168 0.020 1 1521 135 135 ILE HG12 H 1.032 0.020 1 1522 135 135 ILE HG13 H 1.032 0.020 1 1523 135 135 ILE HG2 H 0.339 0.020 1 1524 135 135 ILE C C 177.733 0.3 1 1525 135 135 ILE CA C 64.785 0.3 1 1526 135 135 ILE CB C 37.826 0.3 1 1527 135 135 ILE CD1 C 12.734 0.3 1 1528 135 135 ILE CG1 C 28.618 0.3 1 1529 135 135 ILE CG2 C 17.197 0.3 1 1530 135 135 ILE N N 116.341 0.3 1 1531 136 136 GLY H H 8.322 0.020 1 1532 136 136 GLY HA2 H 3.307 0.020 2 1533 136 136 GLY HA3 H 3.068 0.020 2 1534 136 136 GLY C C 173.790 0.3 1 1535 136 136 GLY CA C 47.454 0.3 1 1536 136 136 GLY N N 104.754 0.3 1 1537 137 137 GLU H H 7.925 0.020 1 1538 137 137 GLU HA H 3.677 0.020 1 1539 137 137 GLU HB2 H 2.040 0.020 2 1540 137 137 GLU HB3 H 1.732 0.020 2 1541 137 137 GLU HG2 H 2.668 0.020 2 1542 137 137 GLU HG3 H 2.229 0.020 2 1543 137 137 GLU C C 177.414 0.3 1 1544 137 137 GLU CA C 58.453 0.3 1 1545 137 137 GLU CB C 27.788 0.3 1 1546 137 137 GLU CG C 33.104 0.3 1 1547 137 137 GLU N N 116.137 0.3 1 1548 138 138 VAL H H 7.377 0.020 1 1549 138 138 VAL HA H 3.271 0.020 1 1550 138 138 VAL HB H 2.264 0.020 1 1551 138 138 VAL HG1 H 1.069 0.020 2 1552 138 138 VAL HG2 H 0.946 0.020 2 1553 138 138 VAL C C 177.450 0.3 1 1554 138 138 VAL CA C 66.619 0.3 1 1555 138 138 VAL CB C 31.734 0.3 1 1556 138 138 VAL CG1 C 23.850 0.3 1 1557 138 138 VAL CG2 C 21.737 0.3 1 1558 138 138 VAL N N 115.151 0.3 1 1559 139 139 LEU H H 8.456 0.020 1 1560 139 139 LEU HA H 3.912 0.020 1 1561 139 139 LEU HB2 H 1.622 0.020 2 1562 139 139 LEU HB3 H 1.172 0.020 2 1563 139 139 LEU HD1 H 0.808 0.020 2 1564 139 139 LEU HD2 H 0.672 0.020 2 1565 139 139 LEU HG H 2.107 0.020 1 1566 139 139 LEU C C 178.015 0.3 1 1567 139 139 LEU CA C 57.547 0.3 1 1568 139 139 LEU CB C 40.799 0.3 1 1569 139 139 LEU CD1 C 23.884 0.3 1 1570 139 139 LEU CD2 C 26.358 0.3 1 1571 139 139 LEU CG C 26.358 0.3 1 1572 139 139 LEU N N 114.323 0.3 1 1573 140 140 ALA H H 7.779 0.020 1 1574 140 140 ALA HA H 3.994 0.020 1 1575 140 140 ALA HB H 1.455 0.020 1 1576 140 140 ALA C C 178.186 0.3 1 1577 140 140 ALA CA C 54.308 0.3 1 1578 140 140 ALA CB C 19.764 0.3 1 1579 140 140 ALA N N 116.064 0.3 1 1580 141 141 GLU H H 7.252 0.020 1 1581 141 141 GLU HA H 4.231 0.020 1 1582 141 141 GLU HB2 H 2.356 0.020 2 1583 141 141 GLU HB3 H 1.789 0.020 2 1584 141 141 GLU HG2 H 2.345 0.020 2 1585 141 141 GLU HG3 H 2.290 0.020 2 1586 141 141 GLU C C 176.443 0.3 1 1587 141 141 GLU CA C 56.291 0.3 1 1588 141 141 GLU CB C 31.195 0.3 1 1589 141 141 GLU CG C 36.038 0.3 1 1590 141 141 GLU N N 114.710 0.3 1 1591 142 142 VAL H H 7.240 0.020 1 1592 142 142 VAL HA H 4.127 0.020 1 1593 142 142 VAL HB H 2.354 0.020 1 1594 142 142 VAL HG1 H 0.981 0.020 2 1595 142 142 VAL HG2 H 0.983 0.020 2 1596 142 142 VAL C C 178.621 0.3 1 1597 142 142 VAL CA C 63.479 0.3 1 1598 142 142 VAL CB C 31.815 0.3 1 1599 142 142 VAL CG1 C 21.471 0.3 1 1600 142 142 VAL CG2 C 19.607 0.3 1 1601 142 142 VAL N N 118.621 0.3 1 stop_ save_