data_18356 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution Structure of ADF like UNC-60A Protein of Caenorhabditis elegans ; _BMRB_accession_number 18356 _BMRB_flat_file_name bmr18356.str _Entry_type original _Submission_date 2012-03-28 _Accession_date 2012-03-28 _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 Shukla 'Vaibhav Kumar' . . 2 Yadav Rahul . . 3 Kabra Ashish . . 4 Kumar Dinesh . . 5 Ono Shoichiro . . 6 Arora Ashish . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 946 "13C chemical shifts" 719 "15N chemical shifts" 162 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2013-05-20 original author . stop_ loop_ _Related_BMRB_accession_number _Relationship 18355 '(SSD) Rv0603 Protein' stop_ _Original_release_date 2013-05-20 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'NMR Structure and Backbone dynamics of ADF like UNC-60A protein from Caenorhabditis elegans: its divergence from conventional ADF/cofilin' _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Shukla 'Vaibhav Kumar' . . 2 Yadav Rahul . . 3 Jain Anupam . . 4 Tripathi Sarita . . 5 Kabra Ashish . . 6 Kumar Dinesh . . 7 Ono Shoichiro . . 8 Arora Ashish . . stop_ _Journal_abbreviation 'J. Biol. Chem.' _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'ADF like UNC-60A Protein' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'ADF like UNC-60A Protein' $UNC-60A stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_UNC-60A _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity _Molecular_mass 18391.953 _Mol_thiol_state . _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 165 _Mol_residue_sequence ; MSSGVMVDPDVQTSFQKLSE GRKEYRYIIFKIDENKVIVE AAVTQDQLGITGDDYDDSSK AAFDKFVEDVKSRTDNLTDC RYAVFDFKFTCSRVGAGTSK MDKIIFLQICPDGASIKKKM VYASSAAAIKTSLGTGKILQ FQVSDESEMSHKELLNKLGE KYGDH ; loop_ _Residue_seq_code _Residue_label 1 MET 2 SER 3 SER 4 GLY 5 VAL 6 MET 7 VAL 8 ASP 9 PRO 10 ASP 11 VAL 12 GLN 13 THR 14 SER 15 PHE 16 GLN 17 LYS 18 LEU 19 SER 20 GLU 21 GLY 22 ARG 23 LYS 24 GLU 25 TYR 26 ARG 27 TYR 28 ILE 29 ILE 30 PHE 31 LYS 32 ILE 33 ASP 34 GLU 35 ASN 36 LYS 37 VAL 38 ILE 39 VAL 40 GLU 41 ALA 42 ALA 43 VAL 44 THR 45 GLN 46 ASP 47 GLN 48 LEU 49 GLY 50 ILE 51 THR 52 GLY 53 ASP 54 ASP 55 TYR 56 ASP 57 ASP 58 SER 59 SER 60 LYS 61 ALA 62 ALA 63 PHE 64 ASP 65 LYS 66 PHE 67 VAL 68 GLU 69 ASP 70 VAL 71 LYS 72 SER 73 ARG 74 THR 75 ASP 76 ASN 77 LEU 78 THR 79 ASP 80 CYS 81 ARG 82 TYR 83 ALA 84 VAL 85 PHE 86 ASP 87 PHE 88 LYS 89 PHE 90 THR 91 CYS 92 SER 93 ARG 94 VAL 95 GLY 96 ALA 97 GLY 98 THR 99 SER 100 LYS 101 MET 102 ASP 103 LYS 104 ILE 105 ILE 106 PHE 107 LEU 108 GLN 109 ILE 110 CYS 111 PRO 112 ASP 113 GLY 114 ALA 115 SER 116 ILE 117 LYS 118 LYS 119 LYS 120 MET 121 VAL 122 TYR 123 ALA 124 SER 125 SER 126 ALA 127 ALA 128 ALA 129 ILE 130 LYS 131 THR 132 SER 133 LEU 134 GLY 135 THR 136 GLY 137 LYS 138 ILE 139 LEU 140 GLN 141 PHE 142 GLN 143 VAL 144 SER 145 ASP 146 GLU 147 SER 148 GLU 149 MET 150 SER 151 HIS 152 LYS 153 GLU 154 LEU 155 LEU 156 ASN 157 LYS 158 LEU 159 GLY 160 GLU 161 LYS 162 TYR 163 GLY 164 ASP 165 HIS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-09-16 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 2MP4 "Solution Structure Of Adf Like Unc-60a Protein Of Caenorhabditis Elegans" 100.00 165 100.00 100.00 3.88e-115 EMBL CCD67021 "Actin-depolymerizing factor 1, isoforms a/b [Caenorhabditis elegans]" 100.00 165 100.00 100.00 3.88e-115 GB AAC14458 "putative. cofilin/destrin homolog. This CDS encodes the first transcript produced from the unc-60 locus. Both transcripts exhib" 100.00 165 100.00 100.00 3.88e-115 REF NP_503425 "Actin-depolymerizing factor 1, isoforms a/b [Caenorhabditis elegans]" 100.00 165 100.00 100.00 3.88e-115 SP Q07750 "RecName: Full=Actin-depolymerizing factor 1, isoforms a/b; AltName: Full=Uncoordinated protein 60" 94.55 212 100.00 100.00 1.91e-107 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $UNC-60A 'Caenorhabditis elegans' 6239 Eukaryota Metazoa Caenorhabditis elegans stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Variant _Vector_name $UNC-60A 'recombinant technology' . Escherichia coli K12 BL21(DE3) pETNH6 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '15N Labeled UNC-60A' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $UNC-60A 0.65 mM '[U-99% 15N]' 'sodium phosphate' 20 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' 'sodium azide' 0.1 % 'natural abundance' D2O 7 % '[U-99% 2H]' H2O 93 % 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details '15N, 13C Labeled UNC-60A' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $UNC-60A 0.65 mM '[U-99% 13C; U-99% 15N]' 'sodium phosphate' 20 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' 'sodium azide' 0.1 % 'natural abundance' D2O 7 % '[U-99% 2H]' H2O 93 % 'natural abundance' stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details '15N, 13C Labeled UNC-60A' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $UNC-60A 0.65 mM '[U-99% 13C; U-99% 15N]' 'sodium phosphate' 20 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' 'sodium azide' 0.1 % 'natural abundance' D2O 100 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_CARA _Saveframe_category software _Name CARA _Version . loop_ _Vendor _Address _Electronic_address 'Keller and Wuthrich' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_PSVS _Saveframe_category software _Name PSVS _Version 1.4 loop_ _Vendor _Address _Electronic_address 'Bhattacharya and Montelione' . . stop_ loop_ _Task 'Validation of structural parameter' stop_ _Details . save_ save_iCING _Saveframe_category software _Name iCING _Version . loop_ _Vendor _Address _Electronic_address Doreleijers . . stop_ loop_ _Task 'Validation of structural parameter' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version 3.0 loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'Structure Calculation' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details 'NMR facility for Macromolecules MSB Division, CSIR-CDRI Lucknow' save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance3 _Field_strength 800 _Details 'CBMR SGPGI Lucknow' save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_HNCACB_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_2 save_ save_3D_CBCA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_2 save_ save_3D_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_2 save_ save_3D_HNCA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_2 save_ save_3D_C(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_2 save_ save_3D_H(CCO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_2 save_ save_3D_HCCH-TOCSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_3 save_ save_2D_1H-13C_HSQC_aliphatic_9 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic' _Sample_label $sample_3 save_ save_2D_1H-13C_HSQC_aromatic_10 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aromatic' _Sample_label $sample_3 save_ save_3D_1H-15N_NOESY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aliphatic_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_3 save_ save_3D_1H-13C_NOESY_aromatic_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _Sample_label $sample_3 save_ save_2D_CB(CGCDCE)HE_14 _Saveframe_category NMR_applied_experiment _Experiment_name '2D CB(CGCDCE)HE' _Sample_label $sample_2 save_ save_2D_CB(CGCD)HD_15 _Saveframe_category NMR_applied_experiment _Experiment_name '2D CB(CGCD)HD' _Sample_label $sample_2 save_ save_3D_HNCACO_16 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACO' _Sample_label $sample_2 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details '15N labeled UNC-60A' loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 50 . mM pH 6.5 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCACB' '3D CBCA(CO)NH' '3D HNCO' '3D HNCA' '3D C(CO)NH' '3D H(CCO)NH' '3D HCCH-TOCSY' '2D 1H-13C HSQC aromatic' '2D CB(CGCDCE)HE' '2D CB(CGCD)HD' '3D HNCACO' stop_ loop_ _Sample_label $sample_1 $sample_2 $sample_3 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'ADF like UNC-60A Protein' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 1 MET HA H 4.60 0.02 1 2 1 1 MET HB2 H 1.40 0.02 2 3 1 1 MET HB3 H 1.68 0.02 2 4 1 1 MET HG2 H 1.95 0.02 2 5 1 1 MET HG3 H 2.02 0.02 2 6 1 1 MET H H 8.34 0.02 1 7 1 1 MET C C 174.0 0.3 1 8 1 1 MET CA C 59.5 0.3 1 9 1 1 MET CB C 32.5 0.3 1 10 1 1 MET N N 126.1 0.3 1 11 2 2 SER H H 8.35 0.02 1 12 2 2 SER HA H 4.82 0.02 1 13 2 2 SER HB2 H 3.95 0.02 1 14 2 2 SER HB3 H 3.95 0.02 1 15 2 2 SER CA C 62.3 0.3 1 16 2 2 SER CB C 67.3 0.3 1 17 2 2 SER N N 115.1 0.3 1 18 3 3 SER HA H 3.86 0.02 1 19 3 3 SER HB2 H 1.38 0.02 1 20 3 3 SER HB3 H 1.38 0.02 1 21 3 3 SER CA C 55.8 0.3 1 22 3 3 SER CB C 61.3 0.3 1 23 4 4 GLY H H 8.32 0.02 1 24 4 4 GLY HA2 H 2.82 0.02 2 25 4 4 GLY HA3 H 3.95 0.02 2 26 4 4 GLY C C 173.4 0.3 1 27 4 4 GLY CA C 45.1 0.3 1 28 4 4 GLY N N 110.7 0.3 1 29 5 5 VAL H H 7.81 0.02 1 30 5 5 VAL HA H 4.20 0.02 1 31 5 5 VAL HB H 1.82 0.02 1 32 5 5 VAL HG1 H 0.70 0.02 1 33 5 5 VAL HG2 H 0.70 0.02 1 34 5 5 VAL C C 175.3 0.3 1 35 5 5 VAL CA C 61.7 0.3 1 36 5 5 VAL CB C 33.1 0.3 1 37 5 5 VAL CG1 C 21.2 0.3 1 38 5 5 VAL CG2 C 21.2 0.3 1 39 5 5 VAL N N 119.4 0.3 1 40 6 6 MET H H 8.18 0.02 1 41 6 6 MET HA H 4.65 0.02 1 42 6 6 MET HB2 H 2.06 0.02 1 43 6 6 MET HB3 H 2.06 0.02 1 44 6 6 MET HG2 H 2.56 0.02 2 45 6 6 MET HG3 H 2.59 0.02 2 46 6 6 MET C C 174.8 0.3 1 47 6 6 MET CA C 54.2 0.3 1 48 6 6 MET CB C 36.0 0.3 1 49 6 6 MET CG C 32.0 0.3 1 50 6 6 MET N N 124.0 0.3 1 51 7 7 VAL H H 8.79 0.02 1 52 7 7 VAL HA H 4.09 0.02 1 53 7 7 VAL HB H 1.89 0.02 1 54 7 7 VAL HG1 H 0.83 0.02 1 55 7 7 VAL HG2 H 0.63 0.02 1 56 7 7 VAL C C 175.5 0.3 1 57 7 7 VAL CA C 62.3 0.3 1 58 7 7 VAL CB C 32.5 0.3 1 59 7 7 VAL CG1 C 21.2 0.3 1 60 7 7 VAL CG2 C 21.2 0.3 1 61 7 7 VAL N N 122.4 0.3 1 62 8 8 ASP H H 8.80 0.02 1 63 8 8 ASP HA H 4.71 0.02 1 64 8 8 ASP HB2 H 2.62 0.02 2 65 8 8 ASP HB3 H 2.80 0.02 2 66 8 8 ASP C C 175.8 0.3 1 67 8 8 ASP CA C 53.9 0.3 1 68 8 8 ASP CB C 44.8 0.3 1 69 8 8 ASP N N 131.4 0.3 1 70 9 9 PRO HA H 4.48 0.02 1 71 9 9 PRO HB2 H 2.68 0.02 2 72 9 9 PRO HB3 H 2.47 0.02 2 73 9 9 PRO HG2 H 2.05 0.02 2 74 9 9 PRO HG3 H 2.05 0.02 2 75 9 9 PRO HD2 H 3.52 0.02 1 76 9 9 PRO HD3 H 3.52 0.02 1 77 9 9 PRO CA C 63.0 0.3 1 78 9 9 PRO CD C 48.7 0.3 1 79 10 10 ASP H H 9.06 0.02 1 80 10 10 ASP HA H 4.78 0.02 1 81 10 10 ASP HB2 H 2.70 0.02 2 82 10 10 ASP HB3 H 2.83 0.02 2 83 10 10 ASP C C 179.1 0.3 1 84 10 10 ASP CA C 56.2 0.3 1 85 10 10 ASP CB C 40.7 0.3 1 86 10 10 ASP N N 116.7 0.3 1 87 11 11 VAL H H 8.51 0.02 1 88 11 11 VAL HA H 3.63 0.02 1 89 11 11 VAL HB H 2.24 0.02 1 90 11 11 VAL HG1 H 1.04 0.02 1 91 11 11 VAL HG2 H 0.44 0.02 1 92 11 11 VAL C C 176.9 0.3 1 93 11 11 VAL CA C 67.4 0.3 1 94 11 11 VAL CB C 31.1 0.3 1 95 11 11 VAL CG1 C 23.7 0.3 1 96 11 11 VAL CG2 C 20.2 0.3 1 97 11 11 VAL N N 122.6 0.3 1 98 12 12 GLN H H 7.74 0.02 1 99 12 12 GLN HA H 4.03 0.02 1 100 12 12 GLN HB2 H 2.21 0.02 1 101 12 12 GLN HB3 H 2.21 0.02 1 102 12 12 GLN HG2 H 2.40 0.02 1 103 12 12 GLN HG3 H 2.40 0.02 1 104 12 12 GLN C C 178.8 0.3 1 105 12 12 GLN CA C 59.8 0.3 1 106 12 12 GLN CB C 29.0 0.3 1 107 12 12 GLN CG C 34.8 0.3 1 108 12 12 GLN N N 117.4 0.3 1 109 13 13 THR H H 7.91 0.02 1 110 13 13 THR HA H 4.02 0.02 1 111 13 13 THR HB H 4.30 0.02 1 112 13 13 THR HG2 H 1.33 0.02 1 113 13 13 THR C C 177.6 0.3 1 114 13 13 THR CA C 66.1 0.3 1 115 13 13 THR CB C 68.4 0.3 1 116 13 13 THR CG2 C 22.5 0.3 1 117 13 13 THR N N 113.6 0.3 1 118 14 14 SER H H 8.63 0.02 1 119 14 14 SER HA H 4.33 0.02 1 120 14 14 SER HB2 H 3.85 0.02 2 121 14 14 SER HB3 H 3.98 0.02 2 122 14 14 SER C C 175.9 0.3 1 123 14 14 SER CA C 63.4 0.3 1 124 14 14 SER CB C 62.3 0.3 1 125 14 14 SER N N 118.1 0.3 1 126 15 15 PHE H H 8.28 0.02 1 127 15 15 PHE HA H 4.26 0.02 1 128 15 15 PHE HB2 H 3.26 0.02 1 129 15 15 PHE HB3 H 3.26 0.02 1 130 15 15 PHE HD1 H 7.31 0.02 3 131 15 15 PHE HD2 H 7.31 0.02 3 132 15 15 PHE HE1 H 7.31 0.02 3 133 15 15 PHE HE2 H 7.31 0.02 3 134 15 15 PHE C C 178.9 0.3 1 135 15 15 PHE CA C 62.2 0.3 1 136 15 15 PHE CB C 40.0 0.3 1 137 15 15 PHE CD1 C 120.5 0.3 1 138 15 15 PHE CD2 C 120.6 0.3 1 139 15 15 PHE CE1 C 120.6 0.3 1 140 15 15 PHE CE2 C 120.5 0.3 1 141 15 15 PHE N N 122.4 0.3 1 142 16 16 GLN H H 8.60 0.02 1 143 16 16 GLN HA H 3.97 0.02 1 144 16 16 GLN HB2 H 2.18 0.02 2 145 16 16 GLN HB3 H 2.30 0.02 2 146 16 16 GLN HG2 H 2.62 0.02 1 147 16 16 GLN HG3 H 2.62 0.02 1 148 16 16 GLN C C 177.6 0.3 1 149 16 16 GLN CA C 59.4 0.3 1 150 16 16 GLN CB C 28.1 0.3 1 151 16 16 GLN CG C 34.4 0.3 1 152 16 16 GLN N N 121.4 0.3 1 153 17 17 LYS H H 7.44 0.02 1 154 17 17 LYS HA H 4.18 0.02 1 155 17 17 LYS HB2 H 1.82 0.02 1 156 17 17 LYS HB3 H 1.82 0.02 1 157 17 17 LYS HG2 H 1.57 0.02 1 158 17 17 LYS HG3 H 1.57 0.02 1 159 17 17 LYS HD2 H 1.69 0.02 1 160 17 17 LYS HD3 H 1.69 0.02 1 161 17 17 LYS HE2 H 2.99 0.02 1 162 17 17 LYS HE3 H 2.99 0.02 1 163 17 17 LYS C C 175.2 0.3 1 164 17 17 LYS CA C 58.8 0.3 1 165 17 17 LYS CB C 33.3 0.3 1 166 17 17 LYS CG C 25.5 0.3 1 167 17 17 LYS CD C 29.7 0.3 1 168 17 17 LYS CE C 42.4 0.3 1 169 17 17 LYS N N 117.0 0.3 1 170 18 18 LEU H H 7.51 0.02 1 171 18 18 LEU HA H 4.44 0.02 1 172 18 18 LEU HB2 H 1.70 0.02 1 173 18 18 LEU HB3 H 1.70 0.02 1 174 18 18 LEU HG H 1.60 0.02 1 175 18 18 LEU HD1 H 0.64 0.02 1 176 18 18 LEU HD2 H 0.64 0.02 1 177 18 18 LEU C C 173.6 0.3 1 178 18 18 LEU CA C 57.2 0.3 1 179 18 18 LEU CB C 44.2 0.3 1 180 18 18 LEU CG C 27.6 0.3 1 181 18 18 LEU CD1 C 26.5 0.3 1 182 18 18 LEU CD2 C 26.5 0.3 1 183 18 18 LEU N N 118.9 0.3 1 184 19 19 SER H H 7.86 0.02 1 185 19 19 SER HA H 3.98 0.02 1 186 19 19 SER HB2 H 3.00 0.02 2 187 19 19 SER HB3 H 3.66 0.02 2 188 19 19 SER C C 174.4 0.3 1 189 19 19 SER CA C 59.5 0.3 1 190 19 19 SER CB C 65.2 0.3 1 191 19 19 SER N N 110.2 0.3 1 192 20 20 GLU H H 7.99 0.02 1 193 20 20 GLU HA H 4.53 0.02 1 194 20 20 GLU HB2 H 2.01 0.02 1 195 20 20 GLU HB3 H 2.01 0.02 1 196 20 20 GLU HG2 H 2.30 0.02 1 197 20 20 GLU HG3 H 2.30 0.02 1 198 20 20 GLU C C 176.1 0.3 1 199 20 20 GLU CA C 55.4 0.3 1 200 20 20 GLU CB C 31.7 0.3 1 201 20 20 GLU CG C 36.1 0.3 1 202 20 20 GLU N N 120.5 0.3 1 203 21 21 GLY H H 8.48 0.02 1 204 21 21 GLY HA2 H 3.69 0.02 2 205 21 21 GLY HA3 H 3.94 0.02 2 206 21 21 GLY C C 175.4 0.3 1 207 21 21 GLY CA C 46.8 0.3 1 208 21 21 GLY N N 107.0 0.3 1 209 22 22 ARG H H 8.68 0.02 1 210 22 22 ARG HA H 4.13 0.02 1 211 22 22 ARG HB2 H 1.85 0.02 1 212 22 22 ARG HB3 H 1.85 0.02 1 213 22 22 ARG HG2 H 1.62 0.02 1 214 22 22 ARG HG3 H 1.62 0.02 1 215 22 22 ARG HD2 H 3.18 0.02 1 216 22 22 ARG HD3 H 3.18 0.02 1 217 22 22 ARG C C 175.9 0.3 1 218 22 22 ARG CA C 56.9 0.3 1 219 22 22 ARG CB C 29.9 0.3 1 220 22 22 ARG CG C 27.6 0.3 1 221 22 22 ARG CD C 43.3 0.3 1 222 22 22 ARG N N 124.1 0.3 1 223 23 23 LYS H H 8.13 0.02 1 224 23 23 LYS HA H 3.95 0.02 1 225 23 23 LYS HB2 H 1.71 0.02 1 226 23 23 LYS HB3 H 1.71 0.02 1 227 23 23 LYS HG2 H 1.08 0.02 1 228 23 23 LYS HG3 H 1.08 0.02 1 229 23 23 LYS HD2 H 1.55 0.02 1 230 23 23 LYS HD3 H 1.55 0.02 1 231 23 23 LYS HE2 H 2.65 0.02 2 232 23 23 LYS HE3 H 2.83 0.02 2 233 23 23 LYS C C 176.2 0.3 1 234 23 23 LYS CA C 57.2 0.3 1 235 23 23 LYS CB C 29.9 0.3 1 236 23 23 LYS CG C 24.4 0.3 1 237 23 23 LYS CD C 29.3 0.3 1 238 23 23 LYS CE C 42.2 0.3 1 239 23 23 LYS N N 117.8 0.3 1 240 24 24 GLU H H 8.17 0.02 1 241 24 24 GLU HA H 3.91 0.02 1 242 24 24 GLU HB2 H 1.57 0.02 1 243 24 24 GLU HB3 H 1.57 0.02 1 244 24 24 GLU HG2 H 1.90 0.02 1 245 24 24 GLU HG3 H 1.90 0.02 1 246 24 24 GLU C C 177.5 0.3 1 247 24 24 GLU CA C 58.5 0.3 1 248 24 24 GLU CB C 30.9 0.3 1 249 24 24 GLU CG C 36.8 0.3 1 250 24 24 GLU N N 117.9 0.3 1 251 25 25 TYR H H 6.95 0.02 1 252 25 25 TYR HA H 4.53 0.02 1 253 25 25 TYR HB2 H 2.23 0.02 2 254 25 25 TYR HB3 H 2.83 0.02 2 255 25 25 TYR HD1 H 6.79 0.02 3 256 25 25 TYR HD2 H 6.79 0.02 3 257 25 25 TYR HE1 H 6.66 0.02 1 258 25 25 TYR HE2 H 6.66 0.02 1 259 25 25 TYR C C 173.6 0.3 1 260 25 25 TYR CA C 55.3 0.3 1 261 25 25 TYR CB C 40.2 0.3 1 262 25 25 TYR CD1 C 134.4 0.3 1 263 25 25 TYR CD2 C 134.4 0.3 1 264 25 25 TYR CE1 C 121.1 0.3 1 265 25 25 TYR CE2 C 121.1 0.3 1 266 25 25 TYR N N 113.1 0.3 1 267 26 26 ARG H H 9.45 0.02 1 268 26 26 ARG HA H 4.66 0.02 1 269 26 26 ARG HB2 H 2.02 0.02 1 270 26 26 ARG HB3 H 2.02 0.02 1 271 26 26 ARG HG2 H 1.64 0.02 2 272 26 26 ARG HG3 H 1.75 0.02 2 273 26 26 ARG HD2 H 2.99 0.02 1 274 26 26 ARG HD3 H 2.99 0.02 1 275 26 26 ARG C C 174.6 0.3 1 276 26 26 ARG CA C 54.0 0.3 1 277 26 26 ARG CB C 31.5 0.3 1 278 26 26 ARG CG C 26.0 0.3 1 279 26 26 ARG CD C 41.1 0.3 1 280 26 26 ARG N N 120.5 0.3 1 281 27 27 TYR H H 7.45 0.02 1 282 27 27 TYR HA H 4.93 0.02 1 283 27 27 TYR HB2 H 2.99 0.02 1 284 27 27 TYR HB3 H 2.99 0.02 1 285 27 27 TYR HD1 H 6.91 0.02 3 286 27 27 TYR HD2 H 6.91 0.02 3 287 27 27 TYR HE1 H 6.75 0.02 3 288 27 27 TYR HE2 H 6.75 0.02 3 289 27 27 TYR C C 172.7 0.3 1 290 27 27 TYR CA C 56.2 0.3 1 291 27 27 TYR CB C 40.8 0.3 1 292 27 27 TYR CD1 C 133.4 0.3 1 293 27 27 TYR CD2 C 133.4 0.3 1 294 27 27 TYR CE1 C 120.5 0.3 1 295 27 27 TYR CE2 C 120.5 0.3 1 296 27 27 TYR N N 109.7 0.3 1 297 28 28 ILE H H 8.75 0.02 1 298 28 28 ILE HA H 4.78 0.02 1 299 28 28 ILE HB H 1.68 0.02 1 300 28 28 ILE HG12 H 1.10 0.02 1 301 28 28 ILE HG13 H 1.10 0.02 1 302 28 28 ILE HG2 H 0.80 0.02 1 303 28 28 ILE HD1 H 0.25 0.02 1 304 28 28 ILE C C 174.4 0.3 1 305 28 28 ILE CA C 60.2 0.3 1 306 28 28 ILE CB C 43.3 0.3 1 307 28 28 ILE CG1 C 24.4 0.3 1 308 28 28 ILE CG2 C 14.7 0.3 1 309 28 28 ILE CD1 C 19.6 0.3 1 310 28 28 ILE N N 117.4 0.3 1 311 29 29 ILE H H 9.18 0.02 1 312 29 29 ILE HA H 4.67 0.02 1 313 29 29 ILE HB H 1.70 0.02 1 314 29 29 ILE HG12 H 1.36 0.02 2 315 29 29 ILE HG13 H 1.36 0.02 2 316 29 29 ILE HG2 H 0.89 0.02 1 317 29 29 ILE HD1 H 0.87 0.02 1 318 29 29 ILE C C 174.6 0.3 1 319 29 29 ILE CA C 60.8 0.3 1 320 29 29 ILE CB C 40.5 0.3 1 321 29 29 ILE CG1 C 28.4 0.3 1 322 29 29 ILE CG2 C 18.3 0.3 1 323 29 29 ILE CD1 C 14.5 0.3 1 324 29 29 ILE N N 125.1 0.3 1 325 30 30 PHE H H 9.65 0.02 1 326 30 30 PHE HA H 5.76 0.02 1 327 30 30 PHE HB2 H 2.99 0.02 2 328 30 30 PHE HB3 H 3.25 0.02 2 329 30 30 PHE HD1 H 6.97 0.02 3 330 30 30 PHE HD2 H 6.97 0.02 3 331 30 30 PHE HE1 H 6.53 0.02 1 332 30 30 PHE HE2 H 6.53 0.02 1 333 30 30 PHE C C 174.1 0.3 1 334 30 30 PHE CA C 55.9 0.3 1 335 30 30 PHE CB C 42.3 0.3 1 336 30 30 PHE CD1 C 121.8 0.3 1 337 30 30 PHE CD2 C 121.7 0.3 1 338 30 30 PHE CE1 C 120.4 0.3 1 339 30 30 PHE CE2 C 120.4 0.3 1 340 30 30 PHE N N 126.1 0.3 1 341 31 31 LYS H H 8.99 0.02 1 342 31 31 LYS HA H 5.32 0.02 1 343 31 31 LYS HB2 H 1.96 0.02 2 344 31 31 LYS HB3 H 1.93 0.02 2 345 31 31 LYS HG2 H 1.36 0.02 1 346 31 31 LYS HG3 H 1.36 0.02 1 347 31 31 LYS HD2 H 1.54 0.02 1 348 31 31 LYS HD3 H 1.54 0.02 1 349 31 31 LYS HE2 H 2.82 0.02 1 350 31 31 LYS HE3 H 2.82 0.02 1 351 31 31 LYS C C 173.0 0.3 1 352 31 31 LYS CA C 53.8 0.3 1 353 31 31 LYS CB C 38.1 0.3 1 354 31 31 LYS CG C 28.2 0.3 1 355 31 31 LYS CD C 30.2 0.3 1 356 31 31 LYS CE C 45.0 0.3 1 357 31 31 LYS N N 118.9 0.3 1 358 32 32 ILE H H 8.42 0.02 1 359 32 32 ILE HA H 4.78 0.02 1 360 32 32 ILE HB H 1.71 0.02 1 361 32 32 ILE HG12 H 1.18 0.02 1 362 32 32 ILE HG13 H 1.18 0.02 1 363 32 32 ILE HG2 H 0.56 0.02 1 364 32 32 ILE HD1 H 0.10 0.02 1 365 32 32 ILE C C 175.2 0.3 1 366 32 32 ILE CA C 60.7 0.3 1 367 32 32 ILE CB C 41.3 0.3 1 368 32 32 ILE CG1 C 29.3 0.3 1 369 32 32 ILE CG2 C 16.9 0.3 1 370 32 32 ILE CD1 C 12.9 0.3 1 371 32 32 ILE N N 120.5 0.3 1 372 33 33 ASP H H 9.27 0.02 1 373 33 33 ASP HA H 4.88 0.02 1 374 33 33 ASP HB2 H 2.22 0.02 2 375 33 33 ASP HB3 H 2.72 0.02 2 376 33 33 ASP C C 175.3 0.3 1 377 33 33 ASP CA C 53.5 0.3 1 378 33 33 ASP CB C 44.5 0.3 1 379 33 33 ASP N N 130.1 0.3 1 380 34 34 GLU H H 9.04 0.02 1 381 34 34 GLU HA H 3.73 0.02 1 382 34 34 GLU HB2 H 2.09 0.02 2 383 34 34 GLU HB3 H 2.09 0.02 2 384 34 34 GLU HG2 H 2.32 0.02 1 385 34 34 GLU HG3 H 2.32 0.02 1 386 34 34 GLU C C 175.0 0.3 1 387 34 34 GLU CA C 58.2 0.3 1 388 34 34 GLU CB C 27.5 0.3 1 389 34 34 GLU CG C 36.2 0.3 1 390 34 34 GLU N N 123.6 0.3 1 391 35 35 ASN H H 8.57 0.02 1 392 35 35 ASN HA H 4.38 0.02 1 393 35 35 ASN HB2 H 2.84 0.02 2 394 35 35 ASN HB3 H 3.04 0.02 2 395 35 35 ASN C C 173.5 0.3 1 396 35 35 ASN CA C 53.7 0.3 1 397 35 35 ASN CB C 38.5 0.3 1 398 35 35 ASN N N 114.2 0.3 1 399 36 36 LYS H H 7.75 0.02 1 400 36 36 LYS HA H 5.34 0.02 1 401 36 36 LYS HB2 H 1.74 0.02 1 402 36 36 LYS HB3 H 1.74 0.02 1 403 36 36 LYS HG2 H 1.39 0.02 1 404 36 36 LYS HG3 H 1.39 0.02 1 405 36 36 LYS HD2 H 1.69 0.02 1 406 36 36 LYS HD3 H 1.69 0.02 1 407 36 36 LYS HE2 H 2.99 0.02 1 408 36 36 LYS HE3 H 2.99 0.02 1 409 36 36 LYS C C 174.9 0.3 1 410 36 36 LYS CA C 54.5 0.3 1 411 36 36 LYS CB C 36.1 0.3 1 412 36 36 LYS CG C 24.6 0.3 1 413 36 36 LYS CD C 29.5 0.3 1 414 36 36 LYS CE C 41.9 0.3 1 415 36 36 LYS N N 118.4 0.3 1 416 37 37 VAL H H 8.79 0.02 1 417 37 37 VAL HA H 4.55 0.02 1 418 37 37 VAL HB H 2.03 0.02 1 419 37 37 VAL HG1 H 0.91 0.02 1 420 37 37 VAL HG2 H 0.82 0.02 1 421 37 37 VAL C C 174.6 0.3 1 422 37 37 VAL CA C 62.0 0.3 1 423 37 37 VAL CB C 32.3 0.3 1 424 37 37 VAL CG1 C 22.6 0.3 1 425 37 37 VAL CG2 C 21.2 0.3 1 426 37 37 VAL N N 122.9 0.3 1 427 38 38 ILE H H 9.23 0.02 1 428 38 38 ILE HA H 4.88 0.02 1 429 38 38 ILE HB H 2.06 0.02 1 430 38 38 ILE HG12 H 1.20 0.02 2 431 38 38 ILE HG13 H 1.15 0.02 2 432 38 38 ILE HG2 H 0.98 0.02 1 433 38 38 ILE HD1 H 0.87 0.02 1 434 38 38 ILE C C 176.2 0.3 1 435 38 38 ILE CA C 59.3 0.3 1 436 38 38 ILE CB C 42.8 0.3 1 437 38 38 ILE CG1 C 26.1 0.3 1 438 38 38 ILE CG2 C 18.8 0.3 1 439 38 38 ILE CD1 C 14.4 0.3 1 440 38 38 ILE N N 119.6 0.3 1 441 39 39 VAL H H 9.07 0.02 1 442 39 39 VAL HA H 3.85 0.02 1 443 39 39 VAL HB H 2.13 0.02 1 444 39 39 VAL HG1 H 1.07 0.02 1 445 39 39 VAL HG2 H 0.63 0.02 1 446 39 39 VAL C C 175.3 0.3 1 447 39 39 VAL CA C 63.9 0.3 1 448 39 39 VAL CB C 32.1 0.3 1 449 39 39 VAL CG1 C 22.0 0.3 1 450 39 39 VAL CG2 C 21.3 0.3 1 451 39 39 VAL N N 121.3 0.3 1 452 40 40 GLU H H 9.23 0.02 1 453 40 40 GLU HA H 4.27 0.02 1 454 40 40 GLU HB2 H 2.10 0.02 2 455 40 40 GLU HB3 H 2.24 0.02 2 456 40 40 GLU HG2 H 2.38 0.02 1 457 40 40 GLU HG3 H 2.38 0.02 1 458 40 40 GLU C C 176.0 0.3 1 459 40 40 GLU CA C 57.2 0.3 1 460 40 40 GLU CB C 32.3 0.3 1 461 40 40 GLU CG C 37.1 0.3 1 462 40 40 GLU N N 131.2 0.3 1 463 41 41 ALA H H 7.67 0.02 1 464 41 41 ALA HA H 4.44 0.02 1 465 41 41 ALA HB H 1.16 0.02 1 466 41 41 ALA C C 173.3 0.3 1 467 41 41 ALA CA C 52.0 0.3 1 468 41 41 ALA CB C 21.8 0.3 1 469 41 41 ALA N N 118.1 0.3 1 470 42 42 ALA H H 8.48 0.02 1 471 42 42 ALA HA H 4.52 0.02 1 472 42 42 ALA HB H 0.25 0.02 1 473 42 42 ALA C C 174.9 0.3 1 474 42 42 ALA CA C 51.7 0.3 1 475 42 42 ALA CB C 19.1 0.3 1 476 42 42 ALA N N 127.6 0.3 1 477 43 43 VAL H H 7.82 0.02 1 478 43 43 VAL HA H 4.35 0.02 1 479 43 43 VAL HB H 1.83 0.02 1 480 43 43 VAL HG1 H 0.59 0.02 1 481 43 43 VAL HG2 H 0.59 0.02 1 482 43 43 VAL C C 176.1 0.3 1 483 43 43 VAL CA C 62.1 0.3 1 484 43 43 VAL CB C 34.3 0.3 1 485 43 43 VAL CG1 C 22.2 0.3 1 486 43 43 VAL CG2 C 22.2 0.3 1 487 43 43 VAL N N 124.9 0.3 1 488 44 44 THR H H 8.67 0.02 1 489 44 44 THR HA H 4.80 0.02 1 490 44 44 THR HB H 4.73 0.02 1 491 44 44 THR HG2 H 1.37 0.02 1 492 44 44 THR C C 174.3 0.3 1 493 44 44 THR CA C 60.3 0.3 1 494 44 44 THR CB C 71.2 0.3 1 495 44 44 THR CG2 C 21.3 0.3 1 496 44 44 THR N N 119.4 0.3 1 497 45 45 GLN H H 8.66 0.02 1 498 45 45 GLN HA H 4.01 0.02 1 499 45 45 GLN HB2 H 2.07 0.02 2 500 45 45 GLN HB3 H 2.15 0.02 2 501 45 45 GLN HG2 H 2.46 0.02 1 502 45 45 GLN HG3 H 2.46 0.02 1 503 45 45 GLN C C 179.6 0.3 1 504 45 45 GLN CA C 59.0 0.3 1 505 45 45 GLN CB C 27.6 0.3 1 506 45 45 GLN CG C 31.9 0.3 1 507 45 45 GLN N N 119.8 0.3 1 508 46 46 ASP H H 8.43 0.02 1 509 46 46 ASP HA H 4.39 0.02 1 510 46 46 ASP HB2 H 2.60 0.02 1 511 46 46 ASP HB3 H 2.60 0.02 1 512 46 46 ASP C C 178.9 0.3 1 513 46 46 ASP CA C 57.1 0.3 1 514 46 46 ASP CB C 40.8 0.3 1 515 46 46 ASP N N 117.3 0.3 1 516 47 47 GLN H H 7.83 0.02 1 517 47 47 GLN HA H 4.03 0.02 1 518 47 47 GLN HB2 H 2.00 0.02 1 519 47 47 GLN HB3 H 2.00 0.02 1 520 47 47 GLN HG2 H 2.40 0.02 1 521 47 47 GLN HG3 H 2.40 0.02 1 522 47 47 GLN C C 178.0 0.3 1 523 47 47 GLN CA C 57.8 0.3 1 524 47 47 GLN CB C 29.1 0.3 1 525 47 47 GLN CG C 35.0 0.3 1 526 47 47 GLN N N 118.9 0.3 1 527 48 48 LEU H H 7.56 0.02 1 528 48 48 LEU HA H 4.18 0.02 1 529 48 48 LEU HB2 H 1.51 0.02 1 530 48 48 LEU HB3 H 1.51 0.02 1 531 48 48 LEU HG H 1.98 0.02 1 532 48 48 LEU HD1 H 1.07 0.02 1 533 48 48 LEU HD2 H 1.07 0.02 1 534 48 48 LEU C C 177.6 0.3 1 535 48 48 LEU CA C 56.3 0.3 1 536 48 48 LEU CB C 43.1 0.3 1 537 48 48 LEU CG C 26.2 0.3 1 538 48 48 LEU CD1 C 24.2 0.3 1 539 48 48 LEU CD2 C 24.2 0.3 1 540 48 48 LEU N N 118.1 0.3 1 541 49 49 GLY H H 7.57 0.02 1 542 49 49 GLY HA2 H 3.69 0.02 2 543 49 49 GLY HA3 H 3.94 0.02 2 544 49 49 GLY C C 174.7 0.3 1 545 49 49 GLY CA C 47.0 0.3 1 546 49 49 GLY N N 105.6 0.3 1 547 50 50 ILE H H 7.94 0.02 1 548 50 50 ILE HA H 4.34 0.02 1 549 50 50 ILE HB H 1.92 0.02 1 550 50 50 ILE HG12 H 1.17 0.02 2 551 50 50 ILE HG13 H 1.38 0.02 2 552 50 50 ILE HG2 H 0.86 0.02 1 553 50 50 ILE HD1 H 0.80 0.02 1 554 50 50 ILE C C 176.5 0.3 1 555 50 50 ILE CA C 59.9 0.3 1 556 50 50 ILE CB C 38.9 0.3 1 557 50 50 ILE CG1 C 26.2 0.3 1 558 50 50 ILE CG2 C 17.7 0.3 1 559 50 50 ILE CD1 C 12.8 0.3 1 560 50 50 ILE N N 117.7 0.3 1 561 51 51 THR H H 8.48 0.02 1 562 51 51 THR HA H 4.42 0.02 1 563 51 51 THR HB H 4.24 0.02 1 564 51 51 THR HG2 H 1.19 0.02 1 565 51 51 THR C C 174.9 0.3 1 566 51 51 THR CA C 61.7 0.3 1 567 51 51 THR CB C 69.9 0.3 1 568 51 51 THR CG2 C 21.5 0.3 1 569 51 51 THR N N 117.5 0.3 1 570 52 52 GLY H H 8.08 0.02 1 571 52 52 GLY HA2 H 3.97 0.02 1 572 52 52 GLY HA3 H 3.97 0.02 1 573 52 52 GLY C C 172.7 0.3 1 574 52 52 GLY CA C 44.6 0.3 1 575 52 52 GLY N N 111.2 0.3 1 576 53 53 ASP H H 8.49 0.02 1 577 53 53 ASP HA H 4.66 0.02 1 578 53 53 ASP HB2 H 2.66 0.02 2 579 53 53 ASP HB3 H 2.83 0.02 2 580 53 53 ASP C C 177.8 0.3 1 581 53 53 ASP CA C 53.9 0.3 1 582 53 53 ASP CB C 42.7 0.3 1 583 53 53 ASP N N 120.8 0.3 1 584 54 54 ASP H H 8.50 0.02 1 585 54 54 ASP HA H 4.63 0.02 1 586 54 54 ASP HB2 H 2.31 0.02 2 587 54 54 ASP HB3 H 2.53 0.02 2 588 54 54 ASP C C 177.1 0.3 1 589 54 54 ASP CA C 56.6 0.3 1 590 54 54 ASP CB C 42.8 0.3 1 591 54 54 ASP N N 124.1 0.3 1 592 55 55 TYR H H 8.35 0.02 1 593 55 55 TYR HA H 4.56 0.02 1 594 55 55 TYR HB2 H 2.88 0.02 2 595 55 55 TYR HB3 H 2.88 0.02 2 596 55 55 TYR HD1 H 7.16 0.02 3 597 55 55 TYR HD2 H 7.16 0.02 3 598 55 55 TYR HE1 H 7.06 0.02 3 599 55 55 TYR HE2 H 7.06 0.02 3 600 55 55 TYR C C 178.9 0.3 1 601 55 55 TYR CA C 62.4 0.3 1 602 55 55 TYR CB C 37.3 0.3 1 603 55 55 TYR CD1 C 132.3 0.3 1 604 55 55 TYR CD2 C 132.3 0.3 1 605 55 55 TYR CE1 C 120.2 0.3 1 606 55 55 TYR CE2 C 120.2 0.3 1 607 55 55 TYR N N 114.9 0.3 1 608 56 56 ASP H H 8.32 0.02 1 609 56 56 ASP HA H 4.56 0.02 1 610 56 56 ASP HB2 H 2.70 0.02 2 611 56 56 ASP HB3 H 2.83 0.02 2 612 56 56 ASP C C 177.3 0.3 1 613 56 56 ASP CA C 57.2 0.3 1 614 56 56 ASP CB C 40.6 0.3 1 615 56 56 ASP N N 119.6 0.3 1 616 57 57 ASP H H 7.74 0.02 1 617 57 57 ASP HA H 4.94 0.02 1 618 57 57 ASP HB2 H 2.60 0.02 2 619 57 57 ASP HB3 H 3.00 0.02 2 620 57 57 ASP C C 178.1 0.3 1 621 57 57 ASP CA C 52.4 0.3 1 622 57 57 ASP CB C 41.1 0.3 1 623 57 57 ASP N N 116.6 0.3 1 624 58 58 SER H H 8.13 0.02 1 625 58 58 SER HA H 4.80 0.02 1 626 58 58 SER HB2 H 4.34 0.02 2 627 58 58 SER HB3 H 4.42 0.02 2 628 58 58 SER C C 174.6 0.3 1 629 58 58 SER CA C 60.2 0.3 1 630 58 58 SER CB C 63.0 0.3 1 631 58 58 SER N N 117.6 0.3 1 632 59 59 SER H H 9.01 0.02 1 633 59 59 SER HA H 4.58 0.02 1 634 59 59 SER HB2 H 4.00 0.02 2 635 59 59 SER HB3 H 4.00 0.02 2 636 59 59 SER C C 173.2 0.3 1 637 59 59 SER CA C 60.5 0.3 1 638 59 59 SER CB C 66.1 0.3 1 639 59 59 SER N N 105.4 0.3 1 640 60 60 LYS H H 7.45 0.02 1 641 60 60 LYS HA H 4.08 0.02 1 642 60 60 LYS HB2 H 2.01 0.02 1 643 60 60 LYS HB3 H 2.01 0.02 1 644 60 60 LYS HG2 H 0.99 0.02 1 645 60 60 LYS HG3 H 0.99 0.02 1 646 60 60 LYS HD2 H 1.52 0.02 2 647 60 60 LYS HD3 H 1.57 0.02 2 648 60 60 LYS HE2 H 3.26 0.02 1 649 60 60 LYS HE3 H 3.26 0.02 1 650 60 60 LYS C C 176.5 0.3 1 651 60 60 LYS CA C 61.0 0.3 1 652 60 60 LYS CB C 32.8 0.3 1 653 60 60 LYS CG C 24.9 0.3 1 654 60 60 LYS CD C 28.8 0.3 1 655 60 60 LYS CE C 42.0 0.3 1 656 60 60 LYS N N 123.1 0.3 1 657 61 61 ALA H H 8.80 0.02 1 658 61 61 ALA HA H 4.13 0.02 1 659 61 61 ALA HB H 1.49 0.02 1 660 61 61 ALA C C 181.8 0.3 1 661 61 61 ALA CA C 55.5 0.3 1 662 61 61 ALA CB C 17.9 0.3 1 663 61 61 ALA N N 120.7 0.3 1 664 62 62 ALA H H 8.76 0.02 1 665 62 62 ALA HA H 4.04 0.02 1 666 62 62 ALA HB H 1.63 0.02 1 667 62 62 ALA C C 178.6 0.3 1 668 62 62 ALA CA C 55.4 0.3 1 669 62 62 ALA CB C 19.7 0.3 1 670 62 62 ALA N N 119.9 0.3 1 671 63 63 PHE H H 9.38 0.02 1 672 63 63 PHE HA H 3.66 0.02 1 673 63 63 PHE HB2 H 2.74 0.02 2 674 63 63 PHE HB3 H 2.91 0.02 2 675 63 63 PHE HD1 H 6.80 0.02 1 676 63 63 PHE HD2 H 6.80 0.02 1 677 63 63 PHE HE1 H 6.80 0.02 3 678 63 63 PHE HE2 H 6.80 0.02 3 679 63 63 PHE C C 177.3 0.3 1 680 63 63 PHE CA C 62.2 0.3 1 681 63 63 PHE CB C 39.6 0.3 1 682 63 63 PHE CD1 C 123.4 0.3 1 683 63 63 PHE CD2 C 123.4 0.3 1 684 63 63 PHE CE1 C 123.4 0.3 1 685 63 63 PHE CE2 C 123.4 0.3 1 686 63 63 PHE N N 120.4 0.3 1 687 64 64 ASP H H 9.18 0.02 1 688 64 64 ASP HA H 4.41 0.02 1 689 64 64 ASP HB2 H 2.58 0.02 2 690 64 64 ASP HB3 H 2.80 0.02 2 691 64 64 ASP C C 180.2 0.3 1 692 64 64 ASP CA C 57.7 0.3 1 693 64 64 ASP CB C 39.6 0.3 1 694 64 64 ASP N N 119.7 0.3 1 695 65 65 LYS H H 7.42 0.02 1 696 65 65 LYS HA H 4.08 0.02 1 697 65 65 LYS HB2 H 2.24 0.02 2 698 65 65 LYS HB3 H 2.24 0.02 2 699 65 65 LYS HG2 H 1.71 0.02 1 700 65 65 LYS HG3 H 1.71 0.02 1 701 65 65 LYS HD2 H 2.06 0.02 1 702 65 65 LYS HD3 H 2.06 0.02 1 703 65 65 LYS HE2 H 2.83 0.02 1 704 65 65 LYS HE3 H 2.83 0.02 1 705 65 65 LYS C C 179.1 0.3 1 706 65 65 LYS CA C 59.6 0.3 1 707 65 65 LYS CB C 32.5 0.3 1 708 65 65 LYS CG C 26.3 0.3 1 709 65 65 LYS CD C 29.6 0.3 1 710 65 65 LYS CE C 41.7 0.3 1 711 65 65 LYS N N 119.8 0.3 1 712 66 66 PHE H H 8.00 0.02 1 713 66 66 PHE HA H 4.34 0.02 1 714 66 66 PHE HB2 H 2.83 0.02 2 715 66 66 PHE HB3 H 3.05 0.02 2 716 66 66 PHE HD1 H 6.97 0.02 3 717 66 66 PHE HD2 H 6.97 0.02 3 718 66 66 PHE HE1 H 6.97 0.02 3 719 66 66 PHE HE2 H 6.97 0.02 3 720 66 66 PHE C C 175.9 0.3 1 721 66 66 PHE CA C 59.9 0.3 1 722 66 66 PHE CB C 38.3 0.3 1 723 66 66 PHE CD1 C 119.5 0.3 1 724 66 66 PHE CD2 C 119.5 0.3 1 725 66 66 PHE CE1 C 119.5 0.3 1 726 66 66 PHE CE2 C 119.5 0.3 1 727 66 66 PHE N N 123.4 0.3 1 728 67 67 VAL H H 8.50 0.02 1 729 67 67 VAL HA H 2.60 0.02 1 730 67 67 VAL HB H 2.00 0.02 1 731 67 67 VAL HG1 H 0.70 0.02 1 732 67 67 VAL HG2 H 0.70 0.02 1 733 67 67 VAL C C 177.7 0.3 1 734 67 67 VAL CA C 67.1 0.3 1 735 67 67 VAL CB C 31.7 0.3 1 736 67 67 VAL CG1 C 24.8 0.3 1 737 67 67 VAL CG2 C 21.3 0.3 1 738 67 67 VAL N N 120.2 0.3 1 739 68 68 GLU H H 7.51 0.02 1 740 68 68 GLU HA H 3.80 0.02 1 741 68 68 GLU HB2 H 2.07 0.02 1 742 68 68 GLU HB3 H 2.07 0.02 1 743 68 68 GLU HG2 H 2.23 0.02 2 744 68 68 GLU HG3 H 2.34 0.02 2 745 68 68 GLU C C 178.8 0.3 1 746 68 68 GLU CA C 59.5 0.3 1 747 68 68 GLU CB C 29.4 0.3 1 748 68 68 GLU CG C 36.1 0.3 1 749 68 68 GLU N N 118.3 0.3 1 750 69 69 ASP H H 7.75 0.02 1 751 69 69 ASP HA H 4.36 0.02 1 752 69 69 ASP HB2 H 2.82 0.02 2 753 69 69 ASP HB3 H 2.99 0.02 2 754 69 69 ASP C C 178.1 0.3 1 755 69 69 ASP CA C 56.5 0.3 1 756 69 69 ASP CB C 40.9 0.3 1 757 69 69 ASP N N 121.4 0.3 1 758 70 70 VAL H H 8.23 0.02 1 759 70 70 VAL HA H 3.05 0.02 1 760 70 70 VAL HB H 1.51 0.02 1 761 70 70 VAL HG1 H 0.59 0.02 1 762 70 70 VAL HG2 H 0.10 0.02 1 763 70 70 VAL C C 179.9 0.3 1 764 70 70 VAL CA C 67.5 0.3 1 765 70 70 VAL CB C 32.4 0.3 1 766 70 70 VAL CG1 C 23.3 0.3 1 767 70 70 VAL CG2 C 23.3 0.3 1 768 70 70 VAL N N 117.6 0.3 1 769 71 71 LYS H H 8.90 0.02 1 770 71 71 LYS HA H 3.45 0.02 1 771 71 71 LYS HB2 H 1.87 0.02 2 772 71 71 LYS HB3 H 1.88 0.02 2 773 71 71 LYS HG2 H 1.44 0.02 2 774 71 71 LYS HG3 H 1.44 0.02 2 775 71 71 LYS HD2 H 1.72 0.02 1 776 71 71 LYS HD3 H 1.72 0.02 1 777 71 71 LYS HE2 H 2.99 0.02 1 778 71 71 LYS HE3 H 2.99 0.02 1 779 71 71 LYS C C 177.7 0.3 1 780 71 71 LYS CA C 61.9 0.3 1 781 71 71 LYS CB C 32.4 0.3 1 782 71 71 LYS CG C 27.0 0.3 1 783 71 71 LYS CD C 29.8 0.3 1 784 71 71 LYS CE C 41.6 0.3 1 785 71 71 LYS N N 120.9 0.3 1 786 72 72 SER H H 8.00 0.02 1 787 72 72 SER HA H 4.34 0.02 1 788 72 72 SER HB2 H 4.08 0.02 1 789 72 72 SER HB3 H 4.08 0.02 1 790 72 72 SER C C 178.3 0.3 1 791 72 72 SER CA C 61.5 0.3 1 792 72 72 SER CB C 63.0 0.3 1 793 72 72 SER N N 114.2 0.3 1 794 73 73 ARG H H 8.43 0.02 1 795 73 73 ARG HA H 4.16 0.02 1 796 73 73 ARG HB2 H 2.06 0.02 1 797 73 73 ARG HB3 H 2.06 0.02 1 798 73 73 ARG HG2 H 1.70 0.02 2 799 73 73 ARG HG3 H 1.70 0.02 2 800 73 73 ARG HD2 H 3.00 0.02 1 801 73 73 ARG HD3 H 3.00 0.02 1 802 73 73 ARG C C 177.0 0.3 1 803 73 73 ARG CA C 58.7 0.3 1 804 73 73 ARG CB C 30.3 0.3 1 805 73 73 ARG CG C 28.9 0.3 1 806 73 73 ARG CD C 42.7 0.3 1 807 73 73 ARG N N 119.7 0.3 1 808 74 74 THR H H 7.40 0.02 1 809 74 74 THR HA H 4.21 0.02 1 810 74 74 THR HB H 4.46 0.02 1 811 74 74 THR HG2 H 0.86 0.02 1 812 74 74 THR C C 173.5 0.3 1 813 74 74 THR CA C 60.3 0.3 1 814 74 74 THR CB C 70.1 0.3 1 815 74 74 THR CG2 C 21.6 0.3 1 816 74 74 THR N N 103.5 0.3 1 817 75 75 ASP H H 7.90 0.02 1 818 75 75 ASP HA H 4.28 0.02 1 819 75 75 ASP HB2 H 2.46 0.02 2 820 75 75 ASP HB3 H 2.76 0.02 2 821 75 75 ASP C C 176.5 0.3 1 822 75 75 ASP CA C 55.3 0.3 1 823 75 75 ASP CB C 38.4 0.3 1 824 75 75 ASP N N 121.3 0.3 1 825 76 76 ASN H H 9.07 0.02 1 826 76 76 ASN HA H 4.00 0.02 1 827 76 76 ASN HB2 H 2.65 0.02 2 828 76 76 ASN HB3 H 3.09 0.02 2 829 76 76 ASN C C 173.6 0.3 1 830 76 76 ASN CA C 54.0 0.3 1 831 76 76 ASN CB C 36.6 0.3 1 832 76 76 ASN N N 116.4 0.3 1 833 77 77 LEU H H 7.84 0.02 1 834 77 77 LEU HA H 3.67 0.02 1 835 77 77 LEU HB2 H 1.54 0.02 2 836 77 77 LEU HB3 H 1.54 0.02 2 837 77 77 LEU HG H 1.24 0.02 1 838 77 77 LEU HD1 H 0.73 0.02 1 839 77 77 LEU HD2 H 0.59 0.02 1 840 77 77 LEU C C 175.2 0.3 1 841 77 77 LEU CA C 55.9 0.3 1 842 77 77 LEU CB C 37.9 0.3 1 843 77 77 LEU CG C 27.5 0.3 1 844 77 77 LEU CD1 C 25.6 0.3 1 845 77 77 LEU CD2 C 22.9 0.3 1 846 77 77 LEU N N 112.3 0.3 1 847 78 78 THR H H 8.24 0.02 1 848 78 78 THR HA H 4.22 0.02 1 849 78 78 THR HB H 4.45 0.02 1 850 78 78 THR HG2 H 1.17 0.02 1 851 78 78 THR C C 172.2 0.3 1 852 78 78 THR CA C 60.6 0.3 1 853 78 78 THR CB C 69.3 0.3 1 854 78 78 THR CG2 C 21.4 0.3 1 855 78 78 THR N N 106.0 0.3 1 856 79 79 ASP H H 7.49 0.02 1 857 79 79 ASP HA H 4.73 0.02 1 858 79 79 ASP HB2 H 2.07 0.02 2 859 79 79 ASP HB3 H 2.83 0.02 2 860 79 79 ASP C C 173.0 0.3 1 861 79 79 ASP CA C 51.5 0.3 1 862 79 79 ASP CB C 44.3 0.3 1 863 79 79 ASP N N 118.6 0.3 1 864 80 80 CYS H H 8.48 0.02 1 865 80 80 CYS HA H 4.47 0.02 1 866 80 80 CYS HB2 H 3.10 0.02 2 867 80 80 CYS HB3 H 3.27 0.02 2 868 80 80 CYS C C 174.0 0.3 1 869 80 80 CYS CA C 56.3 0.3 1 870 80 80 CYS CB C 29.5 0.3 1 871 80 80 CYS N N 115.9 0.3 1 872 81 81 ARG H H 8.38 0.02 1 873 81 81 ARG HA H 4.68 0.02 1 874 81 81 ARG HB2 H 1.93 0.02 2 875 81 81 ARG HB3 H 1.93 0.02 2 876 81 81 ARG HG2 H 1.69 0.02 1 877 81 81 ARG HG3 H 1.69 0.02 1 878 81 81 ARG HD2 H 2.98 0.02 1 879 81 81 ARG HD3 H 2.98 0.02 1 880 81 81 ARG C C 175.5 0.3 1 881 81 81 ARG CA C 54.2 0.3 1 882 81 81 ARG CB C 39.0 0.3 1 883 81 81 ARG CG C 29.3 0.3 1 884 81 81 ARG CD C 42.6 0.3 1 885 81 81 ARG N N 115.6 0.3 1 886 82 82 TYR H H 8.17 0.02 1 887 82 82 TYR HA H 5.78 0.02 1 888 82 82 TYR HB2 H 2.99 0.02 2 889 82 82 TYR HB3 H 3.25 0.02 2 890 82 82 TYR HD1 H 6.93 0.02 3 891 82 82 TYR HD2 H 6.99 0.02 3 892 82 82 TYR C C 175.2 0.3 1 893 82 82 TYR CA C 55.2 0.3 1 894 82 82 TYR CB C 42.2 0.3 1 895 82 82 TYR CD1 C 120.5 0.3 1 896 82 82 TYR N N 114.2 0.3 1 897 83 83 ALA H H 8.78 0.02 1 898 83 83 ALA HA H 5.73 0.02 1 899 83 83 ALA HB H 1.67 0.02 1 900 83 83 ALA C C 175.9 0.3 1 901 83 83 ALA CA C 52.0 0.3 1 902 83 83 ALA CB C 24.3 0.3 1 903 83 83 ALA N N 121.3 0.3 1 904 84 84 VAL H H 9.15 0.02 1 905 84 84 VAL HA H 6.18 0.02 1 906 84 84 VAL HB H 2.23 0.02 1 907 84 84 VAL HG1 H 1.38 0.02 1 908 84 84 VAL HG2 H 1.38 0.02 1 909 84 84 VAL C C 176.9 0.3 1 910 84 84 VAL CA C 58.8 0.3 1 911 84 84 VAL CB C 35.6 0.3 1 912 84 84 VAL CG1 C 24.0 0.3 1 913 84 84 VAL CG2 C 21.7 0.3 1 914 84 84 VAL N N 111.7 0.3 1 915 85 85 PHE H H 8.78 0.02 1 916 85 85 PHE HA H 4.71 0.02 1 917 85 85 PHE HB2 H 2.74 0.02 2 918 85 85 PHE HB3 H 2.74 0.02 2 919 85 85 PHE HD1 H 6.55 0.02 1 920 85 85 PHE HD2 H 6.55 0.02 1 921 85 85 PHE HE1 H 6.65 0.02 3 922 85 85 PHE HE2 H 6.65 0.02 3 923 85 85 PHE C C 176.5 0.3 1 924 85 85 PHE CA C 57.2 0.3 1 925 85 85 PHE CB C 43.9 0.3 1 926 85 85 PHE CD1 C 124.9 0.3 1 927 85 85 PHE CD2 C 124.9 0.3 1 928 85 85 PHE CE1 C 134.0 0.3 1 929 85 85 PHE CE2 C 134.0 0.3 1 930 85 85 PHE N N 121.6 0.3 1 931 86 86 ASP H H 7.49 0.02 1 932 86 86 ASP HA H 4.83 0.02 1 933 86 86 ASP HB2 H 2.24 0.02 2 934 86 86 ASP HB3 H 2.70 0.02 2 935 86 86 ASP C C 171.8 0.3 1 936 86 86 ASP CA C 54.3 0.3 1 937 86 86 ASP CB C 40.3 0.3 1 938 86 86 ASP N N 126.7 0.3 1 939 87 87 PHE H H 9.60 0.02 1 940 87 87 PHE HA H 3.98 0.02 1 941 87 87 PHE HB2 H 2.98 0.02 1 942 87 87 PHE HB3 H 2.98 0.02 1 943 87 87 PHE HD1 H 6.89 0.02 1 944 87 87 PHE HD2 H 6.89 0.02 1 945 87 87 PHE HE1 H 7.13 0.02 3 946 87 87 PHE HE2 H 7.13 0.02 3 947 87 87 PHE C C 173.6 0.3 1 948 87 87 PHE CA C 59.7 0.3 1 949 87 87 PHE CB C 42.9 0.3 1 950 87 87 PHE CD1 C 124.1 0.3 1 951 87 87 PHE CD2 C 124.1 0.3 1 952 87 87 PHE CE1 C 123.5 0.3 1 953 87 87 PHE CE2 C 123.5 0.3 1 954 87 87 PHE N N 135.0 0.3 1 955 88 88 LYS H H 7.55 0.02 1 956 88 88 LYS HA H 5.26 0.02 1 957 88 88 LYS HB2 H 2.05 0.02 1 958 88 88 LYS HB3 H 2.05 0.02 1 959 88 88 LYS HG2 H 0.78 0.02 2 960 88 88 LYS HG3 H 0.77 0.02 2 961 88 88 LYS HD2 H 1.02 0.02 1 962 88 88 LYS HD3 H 1.02 0.02 1 963 88 88 LYS HE2 H 2.64 0.02 1 964 88 88 LYS HE3 H 2.64 0.02 1 965 88 88 LYS C C 176.2 0.3 1 966 88 88 LYS CA C 55.5 0.3 1 967 88 88 LYS CB C 33.1 0.3 1 968 88 88 LYS CG C 22.1 0.3 1 969 88 88 LYS CD C 26.8 0.3 1 970 88 88 LYS CE C 38.5 0.3 1 971 88 88 LYS N N 127.7 0.3 1 972 89 89 PHE H H 9.60 0.02 1 973 89 89 PHE HA H 5.29 0.02 1 974 89 89 PHE HB2 H 3.16 0.02 2 975 89 89 PHE HB3 H 3.34 0.02 2 976 89 89 PHE HD1 H 7.16 0.02 3 977 89 89 PHE HD2 H 7.16 0.02 3 978 89 89 PHE HE1 H 6.94 0.02 3 979 89 89 PHE HE2 H 6.94 0.02 3 980 89 89 PHE C C 172.1 0.3 1 981 89 89 PHE CA C 56.3 0.3 1 982 89 89 PHE CB C 40.2 0.3 1 983 89 89 PHE CD1 C 119.0 0.3 1 984 89 89 PHE CD2 C 119.0 0.3 1 985 89 89 PHE CE1 C 121.7 0.3 1 986 89 89 PHE CE2 C 121.7 0.3 1 987 89 89 PHE N N 119.7 0.3 1 988 90 90 THR H H 8.17 0.02 1 989 90 90 THR HA H 5.17 0.02 1 990 90 90 THR HB H 4.07 0.02 1 991 90 90 THR HG2 H 1.20 0.02 1 992 90 90 THR C C 174.1 0.3 1 993 90 90 THR CA C 60.5 0.3 1 994 90 90 THR CB C 71.2 0.3 1 995 90 90 THR CG2 C 21.8 0.3 1 996 90 90 THR N N 111.8 0.3 1 997 91 91 CYS H H 8.81 0.02 1 998 91 91 CYS HA H 4.88 0.02 1 999 91 91 CYS HB2 H 2.85 0.02 1 1000 91 91 CYS HB3 H 2.85 0.02 1 1001 91 91 CYS C C 173.6 0.3 1 1002 91 91 CYS CA C 57.2 0.3 1 1003 91 91 CYS CB C 30.3 0.3 1 1004 91 91 CYS N N 121.3 0.3 1 1005 92 92 SER H H 8.96 0.02 1 1006 92 92 SER HA H 4.18 0.02 1 1007 92 92 SER HB2 H 3.83 0.02 2 1008 92 92 SER HB3 H 3.88 0.02 2 1009 92 92 SER C C 173.6 0.3 1 1010 92 92 SER CA C 58.3 0.3 1 1011 92 92 SER CB C 64.0 0.3 1 1012 92 92 SER N N 120.8 0.3 1 1013 93 93 ARG H H 8.14 0.02 1 1014 93 93 ARG HA H 4.71 0.02 1 1015 93 93 ARG HB2 H 1.87 0.02 1 1016 93 93 ARG HB3 H 1.87 0.02 1 1017 93 93 ARG HG2 H 1.62 0.02 1 1018 93 93 ARG HG3 H 1.62 0.02 1 1019 93 93 ARG HD2 H 3.18 0.02 1 1020 93 93 ARG HD3 H 3.18 0.02 1 1021 93 93 ARG C C 176.3 0.3 1 1022 93 93 ARG CA C 54.8 0.3 1 1023 93 93 ARG CB C 32.8 0.3 1 1024 93 93 ARG CG C 27.0 0.3 1 1025 93 93 ARG CD C 43.4 0.3 1 1026 93 93 ARG N N 123.6 0.3 1 1027 94 94 VAL H H 8.88 0.02 1 1028 94 94 VAL HA H 3.85 0.02 1 1029 94 94 VAL HB H 2.01 0.02 1 1030 94 94 VAL HG1 H 1.02 0.02 1 1031 94 94 VAL HG2 H 0.94 0.02 1 1032 94 94 VAL C C 177.4 0.3 1 1033 94 94 VAL CA C 64.3 0.3 1 1034 94 94 VAL CB C 31.9 0.3 1 1035 94 94 VAL CG1 C 21.6 0.3 1 1036 94 94 VAL CG2 C 20.9 0.3 1 1037 94 94 VAL N N 124.7 0.3 1 1038 95 95 GLY H H 8.90 0.02 1 1039 95 95 GLY HA2 H 3.75 0.02 2 1040 95 95 GLY HA3 H 4.14 0.02 2 1041 95 95 GLY C C 174.1 0.3 1 1042 95 95 GLY CA C 45.8 0.3 1 1043 95 95 GLY N N 115.1 0.3 1 1044 96 96 ALA H H 8.07 0.02 1 1045 96 96 ALA HA H 4.52 0.02 1 1046 96 96 ALA HB H 1.36 0.02 1 1047 96 96 ALA C C 177.5 0.3 1 1048 96 96 ALA CA C 52.1 0.3 1 1049 96 96 ALA CB C 20.3 0.3 1 1050 96 96 ALA N N 123.0 0.3 1 1051 97 97 GLY H H 8.27 0.02 1 1052 97 97 GLY HA2 H 3.97 0.02 2 1053 97 97 GLY HA3 H 4.11 0.02 2 1054 97 97 GLY C C 174.0 0.3 1 1055 97 97 GLY CA C 45.3 0.3 1 1056 97 97 GLY N N 107.8 0.3 1 1057 98 98 THR H H 8.33 0.02 1 1058 98 98 THR HA H 4.72 0.02 1 1059 98 98 THR HB H 4.02 0.02 1 1060 98 98 THR HG2 H 1.13 0.02 1 1061 98 98 THR C C 174.3 0.3 1 1062 98 98 THR CA C 61.9 0.3 1 1063 98 98 THR CB C 70.4 0.3 1 1064 98 98 THR CG2 C 21.7 0.3 1 1065 98 98 THR N N 115.6 0.3 1 1066 99 99 SER H H 8.76 0.02 1 1067 99 99 SER HA H 4.66 0.02 1 1068 99 99 SER HB2 H 3.72 0.02 1 1069 99 99 SER HB3 H 3.72 0.02 1 1070 99 99 SER C C 173.0 0.3 1 1071 99 99 SER CA C 57.7 0.3 1 1072 99 99 SER CB C 65.3 0.3 1 1073 99 99 SER N N 119.9 0.3 1 1074 100 100 LYS H H 8.28 0.02 1 1075 100 100 LYS HA H 4.26 0.02 1 1076 100 100 LYS HB2 H 1.62 0.02 1 1077 100 100 LYS HB3 H 1.62 0.02 1 1078 100 100 LYS HG2 H 0.58 0.02 1 1079 100 100 LYS HG3 H 0.58 0.02 1 1080 100 100 LYS HD2 H 0.76 0.02 1 1081 100 100 LYS HD3 H 0.76 0.02 1 1082 100 100 LYS HE2 H 2.49 0.02 1 1083 100 100 LYS HE3 H 2.49 0.02 1 1084 100 100 LYS C C 175.6 0.3 1 1085 100 100 LYS CA C 56.9 0.3 1 1086 100 100 LYS CB C 33.0 0.3 1 1087 100 100 LYS CG C 25.5 0.3 1 1088 100 100 LYS CD C 29.2 0.3 1 1089 100 100 LYS CE C 42.0 0.3 1 1090 100 100 LYS N N 123.8 0.3 1 1091 101 101 MET H H 8.91 0.02 1 1092 101 101 MET HA H 4.51 0.02 1 1093 101 101 MET HB2 H 2.00 0.02 2 1094 101 101 MET HB3 H 2.06 0.02 2 1095 101 101 MET HG2 H 2.58 0.02 1 1096 101 101 MET HG3 H 2.58 0.02 1 1097 101 101 MET C C 172.7 0.3 1 1098 101 101 MET CA C 54.6 0.3 1 1099 101 101 MET CB C 35.9 0.3 1 1100 101 101 MET CG C 31.5 0.3 1 1101 101 101 MET N N 123.2 0.3 1 1102 102 102 ASP H H 8.03 0.02 1 1103 102 102 ASP HA H 5.69 0.02 1 1104 102 102 ASP HB2 H 2.54 0.02 2 1105 102 102 ASP HB3 H 2.70 0.02 2 1106 102 102 ASP C C 175.6 0.3 1 1107 102 102 ASP CA C 52.5 0.3 1 1108 102 102 ASP CB C 42.7 0.3 1 1109 102 102 ASP N N 119.0 0.3 1 1110 103 103 LYS H H 9.34 0.02 1 1111 103 103 LYS HA H 4.81 0.02 1 1112 103 103 LYS HB2 H 1.90 0.02 1 1113 103 103 LYS HB3 H 1.90 0.02 1 1114 103 103 LYS HG2 H 1.37 0.02 1 1115 103 103 LYS HG3 H 1.37 0.02 1 1116 103 103 LYS HD2 H 1.51 0.02 1 1117 103 103 LYS HD3 H 1.51 0.02 1 1118 103 103 LYS HE2 H 2.99 0.02 1 1119 103 103 LYS HE3 H 2.99 0.02 1 1120 103 103 LYS C C 174.4 0.3 1 1121 103 103 LYS CA C 53.4 0.3 1 1122 103 103 LYS CB C 36.5 0.3 1 1123 103 103 LYS CG C 24.4 0.3 1 1124 103 103 LYS CD C 28.2 0.3 1 1125 103 103 LYS CE C 42.6 0.3 1 1126 103 103 LYS N N 122.1 0.3 1 1127 104 104 ILE H H 8.81 0.02 1 1128 104 104 ILE HA H 3.78 0.02 1 1129 104 104 ILE HB H 1.96 0.02 1 1130 104 104 ILE HG12 H 1.37 0.02 2 1131 104 104 ILE HG13 H 1.66 0.02 2 1132 104 104 ILE HG2 H 0.86 0.02 1 1133 104 104 ILE HD1 H 0.98 0.02 1 1134 104 104 ILE C C 175.9 0.3 1 1135 104 104 ILE CA C 61.7 0.3 1 1136 104 104 ILE CB C 37.7 0.3 1 1137 104 104 ILE CG1 C 29.2 0.3 1 1138 104 104 ILE CG2 C 17.6 0.3 1 1139 104 104 ILE CD1 C 13.2 0.3 1 1140 104 104 ILE N N 123.5 0.3 1 1141 105 105 ILE H H 8.13 0.02 1 1142 105 105 ILE HA H 5.31 0.02 1 1143 105 105 ILE HB H 2.23 0.02 1 1144 105 105 ILE HG12 H 1.85 0.02 2 1145 105 105 ILE HG13 H 1.94 0.02 2 1146 105 105 ILE HG2 H 1.13 0.02 1 1147 105 105 ILE HD1 H 0.88 0.02 1 1148 105 105 ILE C C 174.2 0.3 1 1149 105 105 ILE CA C 59.7 0.3 1 1150 105 105 ILE CB C 39.8 0.3 1 1151 105 105 ILE CG1 C 27.2 0.3 1 1152 105 105 ILE CG2 C 18.7 0.3 1 1153 105 105 ILE CD1 C 14.6 0.3 1 1154 105 105 ILE N N 119.2 0.3 1 1155 106 106 PHE H H 9.57 0.02 1 1156 106 106 PHE HA H 5.68 0.02 1 1157 106 106 PHE HB2 H 2.76 0.02 2 1158 106 106 PHE HB3 H 2.98 0.02 2 1159 106 106 PHE HD1 H 7.06 0.02 1 1160 106 106 PHE HD2 H 7.06 0.02 1 1161 106 106 PHE HE1 H 7.06 0.02 1 1162 106 106 PHE HE2 H 7.06 0.02 1 1163 106 106 PHE C C 173.5 0.3 1 1164 106 106 PHE CA C 56.0 0.3 1 1165 106 106 PHE CB C 43.0 0.3 1 1166 106 106 PHE CD1 C 121.6 0.3 1 1167 106 106 PHE CD2 C 121.6 0.3 1 1168 106 106 PHE CE1 C 121.6 0.3 1 1169 106 106 PHE CE2 C 121.6 0.3 1 1170 106 106 PHE N N 125.8 0.3 1 1171 107 107 LEU H H 9.32 0.02 1 1172 107 107 LEU HA H 5.30 0.02 1 1173 107 107 LEU HB2 H 1.67 0.02 1 1174 107 107 LEU HB3 H 1.67 0.02 1 1175 107 107 LEU HG H 1.59 0.02 1 1176 107 107 LEU HD1 H 1.02 0.02 1 1177 107 107 LEU HD2 H 1.02 0.02 1 1178 107 107 LEU C C 174.6 0.3 1 1179 107 107 LEU CA C 53.3 0.3 1 1180 107 107 LEU CB C 44.4 0.3 1 1181 107 107 LEU CG C 27.4 0.3 1 1182 107 107 LEU CD1 C 26.4 0.3 1 1183 107 107 LEU CD2 C 25.4 0.3 1 1184 107 107 LEU N N 125.9 0.3 1 1185 108 108 GLN H H 8.62 0.02 1 1186 108 108 GLN HA H 4.67 0.02 1 1187 108 108 GLN HB2 H 2.32 0.02 1 1188 108 108 GLN HB3 H 2.32 0.02 1 1189 108 108 GLN HG2 H 2.62 0.02 1 1190 108 108 GLN HG3 H 2.62 0.02 1 1191 108 108 GLN C C 173.9 0.3 1 1192 108 108 GLN CA C 55.5 0.3 1 1193 108 108 GLN CB C 30.2 0.3 1 1194 108 108 GLN CG C 35.0 0.3 1 1195 108 108 GLN N N 124.8 0.3 1 1196 109 109 ILE H H 8.55 0.02 1 1197 109 109 ILE HA H 4.34 0.02 1 1198 109 109 ILE HB H 1.71 0.02 1 1199 109 109 ILE HG12 H 1.38 0.02 2 1200 109 109 ILE HG13 H 1.60 0.02 2 1201 109 109 ILE HG2 H 0.25 0.02 1 1202 109 109 ILE HD1 H 0.56 0.02 1 1203 109 109 ILE C C 173.8 0.3 1 1204 109 109 ILE CA C 61.5 0.3 1 1205 109 109 ILE CB C 37.6 0.3 1 1206 109 109 ILE CG1 C 27.5 0.3 1 1207 109 109 ILE CG2 C 19.2 0.3 1 1208 109 109 ILE CD1 C 16.9 0.3 1 1209 109 109 ILE N N 128.4 0.3 1 1210 110 110 CYS H H 8.33 0.02 1 1211 110 110 CYS HA H 5.34 0.02 1 1212 110 110 CYS HB2 H 1.67 0.02 1 1213 110 110 CYS HB3 H 1.67 0.02 1 1214 110 110 CYS C C 171.2 0.3 1 1215 110 110 CYS CA C 54.4 0.3 1 1216 110 110 CYS CB C 29.4 0.3 1 1217 110 110 CYS N N 125.8 0.3 1 1218 111 111 PRO HA H 4.47 0.02 1 1219 111 111 PRO HB2 H 2.03 0.02 2 1220 111 111 PRO HB3 H 1.91 0.02 2 1221 111 111 PRO HG2 H 1.39 0.02 1 1222 111 111 PRO HG3 H 1.39 0.02 1 1223 111 111 PRO CA C 59.5 0.3 1 1224 111 111 PRO CG C 25.4 0.3 1 1225 111 111 PRO CD C 48.3 0.3 1 1226 112 112 ASP H H 8.39 0.02 1 1227 112 112 ASP HA H 4.26 0.02 1 1228 112 112 ASP HB2 H 2.67 0.02 1 1229 112 112 ASP HB3 H 2.67 0.02 1 1230 112 112 ASP C C 177.4 0.3 1 1231 112 112 ASP CA C 57.7 0.3 1 1232 112 112 ASP CB C 41.3 0.3 1 1233 112 112 ASP N N 120.6 0.3 1 1234 113 113 GLY H H 8.52 0.02 1 1235 113 113 GLY HA2 H 3.70 0.02 2 1236 113 113 GLY HA3 H 4.08 0.02 2 1237 113 113 GLY C C 174.5 0.3 1 1238 113 113 GLY CA C 45.5 0.3 1 1239 113 113 GLY N N 103.4 0.3 1 1240 114 114 ALA H H 7.56 0.02 1 1241 114 114 ALA HA H 4.36 0.02 1 1242 114 114 ALA HB H 1.16 0.02 1 1243 114 114 ALA C C 176.2 0.3 1 1244 114 114 ALA CA C 51.0 0.3 1 1245 114 114 ALA CB C 20.5 0.3 1 1246 114 114 ALA N N 122.0 0.3 1 1247 115 115 SER H H 8.62 0.02 1 1248 115 115 SER HA H 4.40 0.02 1 1249 115 115 SER HB2 H 4.03 0.02 1 1250 115 115 SER HB3 H 4.03 0.02 1 1251 115 115 SER C C 175.6 0.3 1 1252 115 115 SER CA C 57.7 0.3 1 1253 115 115 SER CB C 64.4 0.3 1 1254 115 115 SER N N 115.9 0.3 1 1255 116 116 ILE H H 8.81 0.02 1 1256 116 116 ILE HA H 4.74 0.02 1 1257 116 116 ILE HB H 1.96 0.02 1 1258 116 116 ILE HG12 H 1.38 0.02 2 1259 116 116 ILE HG13 H 1.64 0.02 2 1260 116 116 ILE HG2 H 1.02 0.02 1 1261 116 116 ILE HD1 H 0.85 0.02 1 1262 116 116 ILE C C 177.6 0.3 1 1263 116 116 ILE CA C 61.9 0.3 1 1264 116 116 ILE CB C 37.8 0.3 1 1265 116 116 ILE CG1 C 29.0 0.3 1 1266 116 116 ILE CG2 C 17.7 0.3 1 1267 116 116 ILE CD1 C 13.3 0.3 1 1268 116 116 ILE N N 123.7 0.3 1 1269 117 117 LYS H H 8.14 0.02 1 1270 117 117 LYS HA H 4.08 0.02 1 1271 117 117 LYS HB2 H 1.81 0.02 2 1272 117 117 LYS HB3 H 1.88 0.02 2 1273 117 117 LYS HG2 H 1.46 0.02 1 1274 117 117 LYS HG3 H 1.46 0.02 1 1275 117 117 LYS HD2 H 1.55 0.02 1 1276 117 117 LYS HD3 H 1.55 0.02 1 1277 117 117 LYS HE2 H 2.99 0.02 1 1278 117 117 LYS HE3 H 2.99 0.02 1 1279 117 117 LYS C C 179.4 0.3 1 1280 117 117 LYS CA C 59.6 0.3 1 1281 117 117 LYS CB C 32.7 0.3 1 1282 117 117 LYS CG C 25.3 0.3 1 1283 117 117 LYS CD C 29.3 0.3 1 1284 117 117 LYS CE C 42.3 0.3 1 1285 117 117 LYS N N 119.2 0.3 1 1286 118 118 LYS H H 7.57 0.02 1 1287 118 118 LYS HA H 4.29 0.02 1 1288 118 118 LYS HB2 H 2.24 0.02 1 1289 118 118 LYS HB3 H 2.24 0.02 1 1290 118 118 LYS HG2 H 1.58 0.02 1 1291 118 118 LYS HG3 H 1.58 0.02 1 1292 118 118 LYS HD2 H 1.82 0.02 1 1293 118 118 LYS HD3 H 1.82 0.02 1 1294 118 118 LYS HE2 H 3.07 0.02 2 1295 118 118 LYS HE3 H 3.07 0.02 2 1296 118 118 LYS C C 178.7 0.3 1 1297 118 118 LYS CA C 58.5 0.3 1 1298 118 118 LYS CB C 32.5 0.3 1 1299 118 118 LYS CG C 25.3 0.3 1 1300 118 118 LYS CD C 29.0 0.3 1 1301 118 118 LYS CE C 42.1 0.3 1 1302 118 118 LYS N N 118.7 0.3 1 1303 119 119 LYS H H 8.45 0.02 1 1304 119 119 LYS HA H 4.34 0.02 1 1305 119 119 LYS HB2 H 1.87 0.02 1 1306 119 119 LYS HB3 H 1.87 0.02 1 1307 119 119 LYS HG2 H 0.69 0.02 1 1308 119 119 LYS HG3 H 0.69 0.02 1 1309 119 119 LYS HD2 H 1.54 0.02 1 1310 119 119 LYS HD3 H 1.54 0.02 1 1311 119 119 LYS HE2 H 2.82 0.02 1 1312 119 119 LYS HE3 H 2.82 0.02 1 1313 119 119 LYS C C 179.6 0.3 1 1314 119 119 LYS CA C 61.3 0.3 1 1315 119 119 LYS CB C 32.3 0.3 1 1316 119 119 LYS CG C 27.5 0.3 1 1317 119 119 LYS CD C 29.5 0.3 1 1318 119 119 LYS CE C 42.0 0.3 1 1319 119 119 LYS N N 118.9 0.3 1 1320 120 120 MET H H 8.42 0.02 1 1321 120 120 MET HA H 4.29 0.02 1 1322 120 120 MET HB2 H 2.23 0.02 2 1323 120 120 MET HB3 H 2.57 0.02 2 1324 120 120 MET HG2 H 2.82 0.02 1 1325 120 120 MET HG3 H 2.82 0.02 1 1326 120 120 MET C C 179.5 0.3 1 1327 120 120 MET CA C 59.1 0.3 1 1328 120 120 MET CB C 32.4 0.3 1 1329 120 120 MET CG C 40.8 0.3 1 1330 120 120 MET N N 117.4 0.3 1 1331 121 121 VAL H H 8.00 0.02 1 1332 121 121 VAL HA H 3.98 0.02 1 1333 121 121 VAL HB H 2.25 0.02 1 1334 121 121 VAL HG1 H 1.10 0.02 1 1335 121 121 VAL HG2 H 0.95 0.02 1 1336 121 121 VAL C C 179.2 0.3 1 1337 121 121 VAL CA C 66.2 0.3 1 1338 121 121 VAL CB C 32.3 0.3 1 1339 121 121 VAL CG1 C 22.8 0.3 1 1340 121 121 VAL CG2 C 20.8 0.3 1 1341 121 121 VAL N N 121.8 0.3 1 1342 122 122 TYR H H 8.61 0.02 1 1343 122 122 TYR HA H 4.23 0.02 1 1344 122 122 TYR HB2 H 2.84 0.02 2 1345 122 122 TYR HB3 H 3.04 0.02 2 1346 122 122 TYR HD1 H 7.08 0.02 3 1347 122 122 TYR HD2 H 7.08 0.02 3 1348 122 122 TYR HE1 H 6.57 0.02 1 1349 122 122 TYR HE2 H 6.57 0.02 1 1350 122 122 TYR C C 180.7 0.3 1 1351 122 122 TYR CA C 61.4 0.3 1 1352 122 122 TYR CB C 38.3 0.3 1 1353 122 122 TYR CD1 C 119.2 0.3 1 1354 122 122 TYR CD2 C 119.2 0.3 1 1355 122 122 TYR CE1 C 134.5 0.3 1 1356 122 122 TYR CE2 C 134.5 0.3 1 1357 122 122 TYR N N 121.3 0.3 1 1358 123 123 ALA H H 8.76 0.02 1 1359 123 123 ALA HA H 4.36 0.02 1 1360 123 123 ALA HB H 1.66 0.02 1 1361 123 123 ALA C C 180.8 0.3 1 1362 123 123 ALA CA C 55.8 0.3 1 1363 123 123 ALA CB C 18.2 0.3 1 1364 123 123 ALA N N 124.0 0.3 1 1365 124 124 SER H H 8.50 0.02 1 1366 124 124 SER HA H 4.34 0.02 1 1367 124 124 SER HB2 H 4.07 0.02 2 1368 124 124 SER HB3 H 4.08 0.02 2 1369 124 124 SER C C 176.4 0.3 1 1370 124 124 SER CA C 61.5 0.3 1 1371 124 124 SER CB C 63.3 0.3 1 1372 124 124 SER N N 113.2 0.3 1 1373 125 125 SER H H 7.48 0.02 1 1374 125 125 SER HA H 4.46 0.02 1 1375 125 125 SER HB2 H 3.89 0.02 1 1376 125 125 SER HB3 H 3.89 0.02 1 1377 125 125 SER C C 173.1 0.3 1 1378 125 125 SER CA C 59.4 0.3 1 1379 125 125 SER CB C 63.4 0.3 1 1380 125 125 SER N N 115.2 0.3 1 1381 126 126 ALA H H 7.10 0.02 1 1382 126 126 ALA HA H 3.78 0.02 1 1383 126 126 ALA HB H 1.66 0.02 1 1384 126 126 ALA C C 178.6 0.3 1 1385 126 126 ALA CA C 54.9 0.3 1 1386 126 126 ALA CB C 18.7 0.3 1 1387 126 126 ALA N N 122.6 0.3 1 1388 127 127 ALA H H 8.48 0.02 1 1389 127 127 ALA HA H 3.86 0.02 1 1390 127 127 ALA HB H 1.32 0.02 1 1391 127 127 ALA C C 179.7 0.3 1 1392 127 127 ALA CA C 55.2 0.3 1 1393 127 127 ALA CB C 17.7 0.3 1 1394 127 127 ALA N N 118.8 0.3 1 1395 128 128 ALA H H 7.80 0.02 1 1396 128 128 ALA HA H 3.99 0.02 1 1397 128 128 ALA HB H 1.32 0.02 1 1398 128 128 ALA C C 180.6 0.3 1 1399 128 128 ALA CA C 55.1 0.3 1 1400 128 128 ALA CB C 17.9 0.3 1 1401 128 128 ALA N N 120.7 0.3 1 1402 129 129 ILE H H 7.18 0.02 1 1403 129 129 ILE HA H 3.78 0.02 1 1404 129 129 ILE HB H 1.25 0.02 1 1405 129 129 ILE HG12 H 0.51 0.02 2 1406 129 129 ILE HG13 H 0.90 0.02 2 1407 129 129 ILE HG2 H 0.28 0.02 1 1408 129 129 ILE HD1 H -0.00 0.02 1 1409 129 129 ILE C C 176.1 0.3 1 1410 129 129 ILE CA C 63.3 0.3 1 1411 129 129 ILE CB C 37.2 0.3 1 1412 129 129 ILE CG1 C 29.7 0.3 1 1413 129 129 ILE CG2 C 15.9 0.3 1 1414 129 129 ILE CD1 C 13.8 0.3 1 1415 129 129 ILE N N 114.9 0.3 1 1416 130 130 LYS H H 7.87 0.02 1 1417 130 130 LYS HA H 3.87 0.02 1 1418 130 130 LYS HB2 H 2.00 0.02 1 1419 130 130 LYS HB3 H 2.00 0.02 1 1420 130 130 LYS HG2 H 1.00 0.02 1 1421 130 130 LYS HG3 H 1.00 0.02 1 1422 130 130 LYS HD2 H 1.70 0.02 1 1423 130 130 LYS HD3 H 1.70 0.02 1 1424 130 130 LYS HE2 H 2.96 0.02 1 1425 130 130 LYS HE3 H 2.96 0.02 1 1426 130 130 LYS C C 178.4 0.3 1 1427 130 130 LYS CA C 61.1 0.3 1 1428 130 130 LYS CB C 31.5 0.3 1 1429 130 130 LYS CG C 26.3 0.3 1 1430 130 130 LYS CD C 29.1 0.3 1 1431 130 130 LYS CE C 42.1 0.3 1 1432 130 130 LYS N N 122.4 0.3 1 1433 131 131 THR H H 8.00 0.02 1 1434 131 131 THR HA H 3.87 0.02 1 1435 131 131 THR HB H 4.11 0.02 1 1436 131 131 THR HG2 H 1.16 0.02 1 1437 131 131 THR C C 176.3 0.3 1 1438 131 131 THR CA C 65.9 0.3 1 1439 131 131 THR CB C 68.7 0.3 1 1440 131 131 THR CG2 C 21.5 0.3 1 1441 131 131 THR N N 113.0 0.3 1 1442 132 132 SER H H 7.29 0.02 1 1443 132 132 SER HA H 4.10 0.02 1 1444 132 132 SER HB2 H 3.68 0.02 2 1445 132 132 SER HB3 H 3.78 0.02 2 1446 132 132 SER C C 174.9 0.3 1 1447 132 132 SER CA C 61.9 0.3 1 1448 132 132 SER CB C 63.3 0.3 1 1449 132 132 SER N N 117.3 0.3 1 1450 133 133 LEU H H 7.33 0.02 1 1451 133 133 LEU HA H 3.70 0.02 1 1452 133 133 LEU HB2 H 0.61 0.02 2 1453 133 133 LEU HB3 H 1.15 0.02 2 1454 133 133 LEU HG H 1.36 0.02 1 1455 133 133 LEU HD1 H 0.06 0.02 1 1456 133 133 LEU HD2 H 0.06 0.02 1 1457 133 133 LEU C C 176.6 0.3 1 1458 133 133 LEU CA C 56.3 0.3 1 1459 133 133 LEU CB C 40.4 0.3 1 1460 133 133 LEU CG C 25.7 0.3 1 1461 133 133 LEU CD1 C 21.3 0.3 1 1462 133 133 LEU CD2 C 21.3 0.3 1 1463 133 133 LEU N N 118.1 0.3 1 1464 134 134 GLY H H 7.42 0.02 1 1465 134 134 GLY HA2 H 3.67 0.02 2 1466 134 134 GLY HA3 H 4.23 0.02 2 1467 134 134 GLY C C 174.8 0.3 1 1468 134 134 GLY CA C 45.3 0.3 1 1469 134 134 GLY N N 105.6 0.3 1 1470 135 135 THR H H 8.45 0.02 1 1471 135 135 THR HA H 3.87 0.02 1 1472 135 135 THR HB H 4.23 0.02 1 1473 135 135 THR HG2 H 1.08 0.02 1 1474 135 135 THR C C 176.0 0.3 1 1475 135 135 THR CA C 63.9 0.3 1 1476 135 135 THR CB C 68.6 0.3 1 1477 135 135 THR CG2 C 22.2 0.3 1 1478 135 135 THR N N 116.6 0.3 1 1479 136 136 GLY H H 8.72 0.02 1 1480 136 136 GLY HA2 H 3.84 0.02 2 1481 136 136 GLY HA3 H 4.13 0.02 2 1482 136 136 GLY C C 175.0 0.3 1 1483 136 136 GLY CA C 45.7 0.3 1 1484 136 136 GLY N N 109.3 0.3 1 1485 137 137 LYS H H 8.11 0.02 1 1486 137 137 LYS HA H 4.50 0.02 1 1487 137 137 LYS HB2 H 1.99 0.02 2 1488 137 137 LYS HB3 H 2.12 0.02 2 1489 137 137 LYS HG2 H 1.45 0.02 2 1490 137 137 LYS HG3 H 1.58 0.02 2 1491 137 137 LYS HD2 H 1.73 0.02 2 1492 137 137 LYS HD3 H 1.82 0.02 2 1493 137 137 LYS HE2 H 2.99 0.02 1 1494 137 137 LYS HE3 H 2.99 0.02 1 1495 137 137 LYS C C 176.2 0.3 1 1496 137 137 LYS CA C 56.3 0.3 1 1497 137 137 LYS CB C 34.1 0.3 1 1498 137 137 LYS CG C 25.5 0.3 1 1499 137 137 LYS CD C 29.4 0.3 1 1500 137 137 LYS CE C 42.4 0.3 1 1501 137 137 LYS N N 118.5 0.3 1 1502 138 138 ILE H H 7.27 0.02 1 1503 138 138 ILE HA H 5.05 0.02 1 1504 138 138 ILE HB H 1.82 0.02 1 1505 138 138 ILE HG12 H 1.46 0.02 1 1506 138 138 ILE HG13 H 1.46 0.02 1 1507 138 138 ILE HG2 H 0.88 0.02 1 1508 138 138 ILE HD1 H 0.85 0.02 1 1509 138 138 ILE C C 174.7 0.3 1 1510 138 138 ILE CA C 59.5 0.3 1 1511 138 138 ILE CB C 41.6 0.3 1 1512 138 138 ILE CG1 C 25.3 0.3 1 1513 138 138 ILE CG2 C 18.3 0.3 1 1514 138 138 ILE CD1 C 13.4 0.3 1 1515 138 138 ILE N N 111.4 0.3 1 1516 139 139 LEU H H 8.45 0.02 1 1517 139 139 LEU HA H 4.69 0.02 1 1518 139 139 LEU HB2 H 1.67 0.02 1 1519 139 139 LEU HB3 H 1.67 0.02 1 1520 139 139 LEU HG H 1.61 0.02 1 1521 139 139 LEU HD1 H 0.98 0.02 1 1522 139 139 LEU HD2 H 0.86 0.02 1 1523 139 139 LEU C C 175.6 0.3 1 1524 139 139 LEU CA C 54.2 0.3 1 1525 139 139 LEU CB C 43.8 0.3 1 1526 139 139 LEU CG C 27.2 0.3 1 1527 139 139 LEU CD1 C 25.0 0.3 1 1528 139 139 LEU CD2 C 25.0 0.3 1 1529 139 139 LEU N N 124.6 0.3 1 1530 140 140 GLN H H 8.59 0.02 1 1531 140 140 GLN HA H 5.35 0.02 1 1532 140 140 GLN HB2 H 1.98 0.02 2 1533 140 140 GLN HB3 H 2.10 0.02 2 1534 140 140 GLN HG2 H 2.30 0.02 1 1535 140 140 GLN HG3 H 2.30 0.02 1 1536 140 140 GLN C C 174.9 0.3 1 1537 140 140 GLN CA C 55.8 0.3 1 1538 140 140 GLN CB C 30.9 0.3 1 1539 140 140 GLN CG C 33.7 0.3 1 1540 140 140 GLN N N 123.5 0.3 1 1541 141 141 PHE H H 9.28 0.02 1 1542 141 141 PHE HA H 4.87 0.02 1 1543 141 141 PHE HB2 H 2.69 0.02 2 1544 141 141 PHE HB3 H 3.08 0.02 2 1545 141 141 PHE HD1 H 7.22 0.02 1 1546 141 141 PHE HD2 H 7.22 0.02 1 1547 141 141 PHE HE1 H 7.06 0.02 1 1548 141 141 PHE HE2 H 7.06 0.02 1 1549 141 141 PHE C C 174.7 0.3 1 1550 141 141 PHE CA C 57.3 0.3 1 1551 141 141 PHE CB C 42.8 0.3 1 1552 141 141 PHE CD1 C 120.1 0.3 1 1553 141 141 PHE CD2 C 120.1 0.3 1 1554 141 141 PHE CE1 C 123.4 0.3 1 1555 141 141 PHE CE2 C 123.4 0.3 1 1556 141 141 PHE N N 120.5 0.3 1 1557 142 142 GLN H H 9.08 0.02 1 1558 142 142 GLN HA H 4.88 0.02 1 1559 142 142 GLN HB2 H 2.10 0.02 1 1560 142 142 GLN HB3 H 2.10 0.02 1 1561 142 142 GLN HG2 H 2.36 0.02 1 1562 142 142 GLN HG3 H 2.36 0.02 1 1563 142 142 GLN C C 174.9 0.3 1 1564 142 142 GLN CA C 55.5 0.3 1 1565 142 142 GLN CB C 30.2 0.3 1 1566 142 142 GLN CG C 34.3 0.3 1 1567 142 142 GLN N N 123.7 0.3 1 1568 143 143 VAL H H 8.56 0.02 1 1569 143 143 VAL HA H 4.60 0.02 1 1570 143 143 VAL HB H 1.97 0.02 1 1571 143 143 VAL HG1 H 0.86 0.02 1 1572 143 143 VAL HG2 H 0.83 0.02 1 1573 143 143 VAL C C 174.8 0.3 1 1574 143 143 VAL CA C 60.9 0.3 1 1575 143 143 VAL CB C 35.7 0.3 1 1576 143 143 VAL CG1 C 21.9 0.3 1 1577 143 143 VAL CG2 C 20.9 0.3 1 1578 143 143 VAL N N 120.9 0.3 1 1579 144 144 SER H H 9.64 0.02 1 1580 144 144 SER HA H 4.74 0.02 1 1581 144 144 SER HB2 H 3.90 0.02 2 1582 144 144 SER HB3 H 3.95 0.02 2 1583 144 144 SER C C 173.2 0.3 1 1584 144 144 SER CA C 58.2 0.3 1 1585 144 144 SER CB C 65.6 0.3 1 1586 144 144 SER N N 120.5 0.3 1 1587 145 145 ASP H H 7.76 0.02 1 1588 145 145 ASP HA H 4.70 0.02 1 1589 145 145 ASP HB2 H 2.73 0.02 2 1590 145 145 ASP HB3 H 2.88 0.02 2 1591 145 145 ASP C C 175.5 0.3 1 1592 145 145 ASP CA C 53.3 0.3 1 1593 145 145 ASP CB C 44.1 0.3 1 1594 145 145 ASP N N 118.6 0.3 1 1595 146 146 GLU H H 8.95 0.02 1 1596 146 146 GLU HA H 3.78 0.02 1 1597 146 146 GLU HB2 H 2.06 0.02 1 1598 146 146 GLU HG2 H 2.19 0.02 2 1599 146 146 GLU HG3 H 2.34 0.02 2 1600 146 146 GLU C C 177.8 0.3 1 1601 146 146 GLU CA C 59.7 0.3 1 1602 146 146 GLU CB C 29.8 0.3 1 1603 146 146 GLU CG C 36.1 0.3 1 1604 146 146 GLU N N 119.9 0.3 1 1605 147 147 SER H H 8.66 0.02 1 1606 147 147 SER HA H 4.19 0.02 1 1607 147 147 SER HB2 H 3.97 0.02 2 1608 147 147 SER HB3 H 3.97 0.02 2 1609 147 147 SER C C 176.6 0.3 1 1610 147 147 SER CA C 61.5 0.3 1 1611 147 147 SER CB C 60.1 0.3 1 1612 147 147 SER N N 116.7 0.3 1 1613 148 148 GLU H H 7.94 0.02 1 1614 148 148 GLU HA H 4.16 0.02 1 1615 148 148 GLU HB2 H 2.29 0.02 1 1616 148 148 GLU HB3 H 2.29 0.02 1 1617 148 148 GLU HG2 H 2.45 0.02 2 1618 148 148 GLU HG3 H 2.45 0.02 2 1619 148 148 GLU C C 176.2 0.3 1 1620 148 148 GLU CA C 57.6 0.3 1 1621 148 148 GLU CB C 30.9 0.3 1 1622 148 148 GLU CG C 37.4 0.3 1 1623 148 148 GLU N N 120.3 0.3 1 1624 149 149 MET H H 7.50 0.02 1 1625 149 149 MET HA H 4.53 0.02 1 1626 149 149 MET HB2 H 1.99 0.02 2 1627 149 149 MET HB3 H 2.39 0.02 2 1628 149 149 MET HG2 H 2.14 0.02 2 1629 149 149 MET HG3 H 2.59 0.02 2 1630 149 149 MET C C 173.0 0.3 1 1631 149 149 MET CA C 53.4 0.3 1 1632 149 149 MET CB C 32.9 0.3 1 1633 149 149 MET CG C 31.1 0.3 1 1634 149 149 MET N N 116.0 0.3 1 1635 150 150 SER H H 7.10 0.02 1 1636 150 150 SER HA H 4.71 0.02 1 1637 150 150 SER HB2 H 3.95 0.02 2 1638 150 150 SER HB3 H 4.17 0.02 2 1639 150 150 SER C C 174.1 0.3 1 1640 150 150 SER CA C 56.9 0.3 1 1641 150 150 SER CB C 65.3 0.3 1 1642 150 150 SER N N 112.4 0.3 1 1643 151 151 HIS H H 9.51 0.02 1 1644 151 151 HIS HA H 4.67 0.02 1 1645 151 151 HIS HB2 H 2.02 0.02 2 1646 151 151 HIS HB3 H 2.61 0.02 2 1647 151 151 HIS HD2 H 6.20 0.02 1 1648 151 151 HIS HE1 H 6.34 0.02 1 1649 151 151 HIS HE2 H 6.34 0.02 1 1650 151 151 HIS C C 175.9 0.3 1 1651 151 151 HIS CA C 62.3 0.3 1 1652 151 151 HIS CB C 31.9 0.3 1 1653 151 151 HIS CD2 C 113.6 0.3 1 1654 151 151 HIS CE1 C 136.6 0.3 1 1655 151 151 HIS N N 125.7 0.3 1 1656 152 152 LYS H H 8.38 0.02 1 1657 152 152 LYS HA H 3.69 0.02 1 1658 152 152 LYS HB2 H 1.88 0.02 2 1659 152 152 LYS HB3 H 1.96 0.02 2 1660 152 152 LYS HG2 H 1.37 0.02 2 1661 152 152 LYS HG3 H 1.45 0.02 2 1662 152 152 LYS HD2 H 1.70 0.02 1 1663 152 152 LYS HD3 H 1.70 0.02 1 1664 152 152 LYS HE2 H 2.98 0.02 1 1665 152 152 LYS HE3 H 2.98 0.02 1 1666 152 152 LYS C C 178.7 0.3 1 1667 152 152 LYS CA C 59.2 0.3 1 1668 152 152 LYS CB C 32.7 0.3 1 1669 152 152 LYS CG C 24.2 0.3 1 1670 152 152 LYS CD C 29.5 0.3 1 1671 152 152 LYS CE C 42.1 0.3 1 1672 152 152 LYS N N 115.7 0.3 1 1673 153 153 GLU H H 7.36 0.02 1 1674 153 153 GLU HA H 4.07 0.02 1 1675 153 153 GLU HB2 H 1.96 0.02 2 1676 153 153 GLU HB3 H 2.07 0.02 2 1677 153 153 GLU HG2 H 2.22 0.02 2 1678 153 153 GLU HG3 H 2.37 0.02 2 1679 153 153 GLU C C 179.1 0.3 1 1680 153 153 GLU CA C 58.5 0.3 1 1681 153 153 GLU CB C 29.3 0.3 1 1682 153 153 GLU CG C 36.0 0.3 1 1683 153 153 GLU N N 117.4 0.3 1 1684 154 154 LEU H H 7.73 0.02 1 1685 154 154 LEU HA H 3.53 0.02 1 1686 154 154 LEU HB2 H 0.59 0.02 2 1687 154 154 LEU HB3 H 1.15 0.02 2 1688 154 154 LEU HG H 1.17 0.02 1 1689 154 154 LEU HD1 H 0.29 0.02 1 1690 154 154 LEU HD2 H 0.12 0.02 1 1691 154 154 LEU C C 178.3 0.3 1 1692 154 154 LEU CA C 57.3 0.3 1 1693 154 154 LEU CB C 40.5 0.3 1 1694 154 154 LEU CG C 27.5 0.3 1 1695 154 154 LEU CD1 C 25.3 0.3 1 1696 154 154 LEU CD2 C 22.8 0.3 1 1697 154 154 LEU N N 121.2 0.3 1 1698 155 155 LEU H H 8.35 0.02 1 1699 155 155 LEU HA H 3.41 0.02 1 1700 155 155 LEU HB2 H 1.54 0.02 1 1701 155 155 LEU HB3 H 1.54 0.02 1 1702 155 155 LEU HG H 1.47 0.02 1 1703 155 155 LEU HD1 H 0.94 0.02 1 1704 155 155 LEU HD2 H 0.94 0.02 1 1705 155 155 LEU C C 179.9 0.3 1 1706 155 155 LEU CA C 57.6 0.3 1 1707 155 155 LEU CB C 41.2 0.3 1 1708 155 155 LEU CG C 25.8 0.3 1 1709 155 155 LEU CD1 C 23.8 0.3 1 1710 155 155 LEU CD2 C 23.8 0.3 1 1711 155 155 LEU N N 118.5 0.3 1 1712 156 156 ASN H H 7.75 0.02 1 1713 156 156 ASN HA H 4.36 0.02 1 1714 156 156 ASN HB2 H 2.85 0.02 2 1715 156 156 ASN HB3 H 3.04 0.02 2 1716 156 156 ASN C C 178.0 0.3 1 1717 156 156 ASN CA C 56.3 0.3 1 1718 156 156 ASN CB C 38.4 0.3 1 1719 156 156 ASN N N 117.9 0.3 1 1720 157 157 LYS H H 7.77 0.02 1 1721 157 157 LYS HA H 4.08 0.02 1 1722 157 157 LYS HB2 H 1.82 0.02 2 1723 157 157 LYS HB3 H 1.88 0.02 2 1724 157 157 LYS HG2 H 1.60 0.02 1 1725 157 157 LYS HG3 H 1.60 0.02 1 1726 157 157 LYS HD2 H 1.49 0.02 1 1727 157 157 LYS HD3 H 1.49 0.02 1 1728 157 157 LYS HE2 H 2.97 0.02 1 1729 157 157 LYS HE3 H 2.97 0.02 1 1730 157 157 LYS C C 179.8 0.3 1 1731 157 157 LYS CA C 59.1 0.3 1 1732 157 157 LYS CB C 32.5 0.3 1 1733 157 157 LYS CG C 25.7 0.3 1 1734 157 157 LYS CD C 29.1 0.3 1 1735 157 157 LYS CE C 42.5 0.3 1 1736 157 157 LYS N N 119.8 0.3 1 1737 158 158 LEU H H 8.20 0.02 1 1738 158 158 LEU HA H 3.95 0.02 1 1739 158 158 LEU HB2 H 1.54 0.02 2 1740 158 158 LEU HB3 H 1.54 0.02 2 1741 158 158 LEU HG H 1.23 0.02 1 1742 158 158 LEU HD1 H 0.70 0.02 1 1743 158 158 LEU HD2 H 0.16 0.02 1 1744 158 158 LEU C C 179.0 0.3 1 1745 158 158 LEU CA C 57.8 0.3 1 1746 158 158 LEU CB C 41.2 0.3 1 1747 158 158 LEU CG C 26.6 0.3 1 1748 158 158 LEU CD1 C 24.4 0.3 1 1749 158 158 LEU CD2 C 23.4 0.3 1 1750 158 158 LEU N N 120.9 0.3 1 1751 159 159 GLY H H 8.29 0.02 1 1752 159 159 GLY HA2 H 3.68 0.02 2 1753 159 159 GLY HA3 H 3.95 0.02 2 1754 159 159 GLY C C 176.3 0.3 1 1755 159 159 GLY CA C 46.9 0.3 1 1756 159 159 GLY N N 106.5 0.3 1 1757 160 160 GLU H H 7.85 0.02 1 1758 160 160 GLU HA H 4.07 0.02 1 1759 160 160 GLU HB2 H 1.95 0.02 2 1760 160 160 GLU HB3 H 2.06 0.02 2 1761 160 160 GLU HG2 H 2.23 0.02 2 1762 160 160 GLU HG3 H 2.34 0.02 2 1763 160 160 GLU C C 177.8 0.3 1 1764 160 160 GLU CA C 58.3 0.3 1 1765 160 160 GLU CB C 30.0 0.3 1 1766 160 160 GLU CG C 36.4 0.3 1 1767 160 160 GLU N N 120.7 0.3 1 1768 161 161 LYS H H 7.66 0.02 1 1769 161 161 LYS HA H 4.07 0.02 1 1770 161 161 LYS HB2 H 1.62 0.02 2 1771 161 161 LYS HB3 H 1.93 0.02 2 1772 161 161 LYS HG2 H 0.85 0.02 2 1773 161 161 LYS HG3 H 1.07 0.02 2 1774 161 161 LYS HD2 H 1.44 0.02 2 1775 161 161 LYS HD3 H 1.62 0.02 2 1776 161 161 LYS HE2 H 2.79 0.02 2 1777 161 161 LYS HE3 H 2.93 0.02 2 1778 161 161 LYS C C 177.6 0.3 1 1779 161 161 LYS CA C 57.8 0.3 1 1780 161 161 LYS CB C 33.2 0.3 1 1781 161 161 LYS CG C 24.4 0.3 1 1782 161 161 LYS CD C 28.9 0.3 1 1783 161 161 LYS CE C 42.1 0.3 1 1784 161 161 LYS N N 118.1 0.3 1 1785 162 162 TYR H H 8.09 0.02 1 1786 162 162 TYR HA H 4.75 0.02 1 1787 162 162 TYR HB2 H 2.87 0.02 2 1788 162 162 TYR HB3 H 3.37 0.02 2 1789 162 162 TYR HD1 H 7.35 0.02 3 1790 162 162 TYR HD2 H 7.35 0.02 3 1791 162 162 TYR HE1 H 6.79 0.02 1 1792 162 162 TYR HE2 H 6.79 0.02 1 1793 162 162 TYR C C 176.0 0.3 1 1794 162 162 TYR CA C 59.0 0.3 1 1795 162 162 TYR CB C 39.8 0.3 1 1796 162 162 TYR CD1 C 118.7 0.3 1 1797 162 162 TYR CD2 C 118.7 0.3 1 1798 162 162 TYR CE1 C 134.4 0.3 1 1799 162 162 TYR CE2 C 134.4 0.3 1 1800 162 162 TYR N N 115.4 0.3 1 1801 163 163 GLY H H 8.09 0.02 1 1802 163 163 GLY HA2 H 3.96 0.02 2 1803 163 163 GLY HA3 H 4.14 0.02 2 1804 163 163 GLY C C 173.5 0.3 1 1805 163 163 GLY CA C 45.5 0.3 1 1806 163 163 GLY N N 109.0 0.3 1 1807 164 164 ASP H H 8.32 0.02 1 1808 164 164 ASP HA H 4.64 0.02 1 1809 164 164 ASP HB2 H 2.60 0.02 2 1810 164 164 ASP HB3 H 2.69 0.02 2 1811 164 164 ASP C C 175.3 0.3 1 1812 164 164 ASP CA C 54.6 0.3 1 1813 164 164 ASP CB C 41.7 0.3 1 1814 164 164 ASP N N 120.1 0.3 1 1815 165 165 HIS H H 7.99 0.02 1 1816 165 165 HIS HA H 4.45 0.02 1 1817 165 165 HIS HB2 H 3.08 0.02 2 1818 165 165 HIS HB3 H 3.27 0.02 2 1819 165 165 HIS HD2 H 7.61 0.02 1 1820 165 165 HIS HE1 H 7.15 0.02 1 1821 165 165 HIS HE2 H 7.17 0.02 1 1822 165 165 HIS C C 178.9 0.3 1 1823 165 165 HIS CA C 57.3 0.3 1 1824 165 165 HIS CB C 30.5 0.3 1 1825 165 165 HIS CD2 C 114.4 0.3 1 1826 165 165 HIS CE1 C 132.2 0.3 1 1827 165 165 HIS N N 123.2 0.3 1 stop_ save_