data_15327 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Chemical Shift Assignments for E. coli protein YqcC: Northeast Structural Genomics Consortium target ER225 ; _BMRB_accession_number 15327 _BMRB_flat_file_name bmr15327.str _Entry_type original _Submission_date 2007-06-25 _Accession_date 2007-06-25 _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 Cort John R. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 568 "13C chemical shifts" 420 "15N chemical shifts" 99 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2007-07-26 original author . stop_ _Original_release_date 2007-07-26 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution NMR Structure of protein YqcC from E. coli' _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 Cort John R. . stop_ _Journal_abbreviation 'Not known' _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 YqcC _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label YqcC $YqcC 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_YqcC _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common YqcC _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 117 _Mol_residue_sequence ; MTTHDRVRLQLQALEALLRE HQHWRNDEPQPHQFNSTQPF FMDTMEPLEWLQWVLIPRMH DLLDNKQPLPGAFAVAPYYE MALATDHPQRALILAELEKL DALFADDASLEHHHHHH ; loop_ _Residue_seq_code _Residue_label 1 MET 2 THR 3 THR 4 HIS 5 ASP 6 ARG 7 VAL 8 ARG 9 LEU 10 GLN 11 LEU 12 GLN 13 ALA 14 LEU 15 GLU 16 ALA 17 LEU 18 LEU 19 ARG 20 GLU 21 HIS 22 GLN 23 HIS 24 TRP 25 ARG 26 ASN 27 ASP 28 GLU 29 PRO 30 GLN 31 PRO 32 HIS 33 GLN 34 PHE 35 ASN 36 SER 37 THR 38 GLN 39 PRO 40 PHE 41 PHE 42 MET 43 ASP 44 THR 45 MET 46 GLU 47 PRO 48 LEU 49 GLU 50 TRP 51 LEU 52 GLN 53 TRP 54 VAL 55 LEU 56 ILE 57 PRO 58 ARG 59 MET 60 HIS 61 ASP 62 LEU 63 LEU 64 ASP 65 ASN 66 LYS 67 GLN 68 PRO 69 LEU 70 PRO 71 GLY 72 ALA 73 PHE 74 ALA 75 VAL 76 ALA 77 PRO 78 TYR 79 TYR 80 GLU 81 MET 82 ALA 83 LEU 84 ALA 85 THR 86 ASP 87 HIS 88 PRO 89 GLN 90 ARG 91 ALA 92 LEU 93 ILE 94 LEU 95 ALA 96 GLU 97 LEU 98 GLU 99 LYS 100 LEU 101 ASP 102 ALA 103 LEU 104 PHE 105 ALA 106 ASP 107 ASP 108 ALA 109 SER 110 LEU 111 GLU 112 HIS 113 HIS 114 HIS 115 HIS 116 HIS 117 HIS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-09-09 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 2HGK "Solution Nmr Structure Of Protein Yqcc From E. Coli: Northeast Structural Genomics Consortium Target Er225" 100.00 117 100.00 100.00 5.30e-77 DBJ BAB37075 "hypothetical protein [Escherichia coli O157:H7 str. Sakai]" 93.16 109 98.17 99.08 6.43e-70 DBJ BAE76864 "conserved hypothetical protein [Escherichia coli str. K12 substr. W3110]" 93.16 109 100.00 100.00 2.97e-71 DBJ BAG78576 "conserved hypothetical protein [Escherichia coli SE11]" 93.16 109 100.00 100.00 2.97e-71 DBJ BAI27053 "conserved predicted protein [Escherichia coli O26:H11 str. 11368]" 93.16 109 100.00 100.00 2.97e-71 DBJ BAI32082 "conserved predicted protein [Escherichia coli O103:H2 str. 12009]" 93.16 109 100.00 100.00 2.97e-71 EMBL CAP77225 "Uncharacterized protein yqcC [Escherichia coli LF82]" 93.16 109 97.25 97.25 9.41e-69 EMBL CAQ33116 "conserved protein [Escherichia coli BL21(DE3)]" 93.16 109 99.08 99.08 1.12e-70 EMBL CAQ99720 "conserved hypothetical protein [Escherichia coli IAI1]" 93.16 109 98.17 99.08 6.43e-70 EMBL CAR04302 "conserved hypothetical protein [Escherichia coli S88]" 93.16 109 97.25 97.25 3.12e-68 EMBL CAR09405 "conserved hypothetical protein [Escherichia coli ED1a]" 93.16 109 98.17 98.17 2.28e-69 GB AAB40442 "corresponds to hypothetical protein from E. carotovora PIR Accession Number S45108; 2 ORFs in E. coli; ORF_f109 [Escherichia co" 93.16 109 100.00 100.00 2.97e-71 GB AAC75834 "DUF446 family protein [Escherichia coli str. K-12 substr. MG1655]" 93.16 109 100.00 100.00 2.97e-71 GB AAG57906 "orf, hypothetical protein [Escherichia coli O157:H7 str. EDL933]" 93.16 109 98.17 99.08 6.43e-70 GB AAN44293 "conserved hypothetical protein [Shigella flexneri 2a str. 301]" 93.16 109 97.25 98.17 5.40e-69 GB AAN81805 "Hypothetical protein yqcC [Escherichia coli CFT073]" 93.16 109 98.17 98.17 2.28e-69 REF NP_311679 "hypothetical protein ECs3652 [Escherichia coli O157:H7 str. Sakai]" 93.16 109 98.17 99.08 6.43e-70 REF NP_417272 "DUF446 family protein [Escherichia coli str. K-12 substr. MG1655]" 93.16 109 100.00 100.00 2.97e-71 REF NP_708586 "hypothetical protein SF2805 [Shigella flexneri 2a str. 301]" 93.16 109 97.25 98.17 5.40e-69 REF WP_000206975 "hypothetical protein [Escherichia coli]" 93.16 109 97.25 98.17 2.38e-69 REF WP_000206977 "hypothetical protein [Escherichia coli]" 93.16 109 98.17 98.17 2.93e-69 SP Q46919 "RecName: Full=Uncharacterized protein YqcC" 93.16 109 100.00 100.00 2.97e-71 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Strain _Gene_mnemonic $YqcC 'E. coli' 562 Eubacteria . Escherichia coli K12 yqcc 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 $YqcC 'recombinant technology' . Escherichia coli BL21(DE3) pET21 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details 'sample produced in 5% U-13C-glucose media' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $YqcC 1.2 mM '[biosynthetically-directed-5% 13C; U-100% 15N]' D2O 5 % '[U-100% 2H]' 'sodium chloride' 100 mM 'natural abundance' MES 20 mM 'natural abundance' 'calcium chloride' 5 mM 'natural abundance' 'sodium azide' 0.02 % 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details 'D2O sample' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $YqcC 1.2 mM '[U-100% 13C; U-100% 15N]' D2O 100 % 100% 'sodium chloride' 100 mM 'natural abundance' MES 20 mM 'natural abundance' 'calcium chloride' 5 mM 'natural abundance' 'sodium azide' 0.02 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_VNMR _Saveframe_category software _Name VNMR _Version . loop_ _Vendor _Address _Electronic_address Varian . . stop_ loop_ _Task collection stop_ _Details . save_ save_Felix _Saveframe_category software _Name FELIX _Version . loop_ _Vendor _Address _Electronic_address 'Accelrys Software Inc.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 750 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_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_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _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_HCCH-TOCSY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_HNHA_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHA' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_HNCA_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_C(CO)NH_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_1 save_ save_3D_H(CCO)NH_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _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_4D_1H-13C-13C-1H_NOESY_15 _Saveframe_category NMR_applied_experiment _Experiment_name '4D 1H-13C-13C-1H NOESY' _Sample_label $sample_2 save_ save_2D_HBCBCGCDHD-aromatic_16 _Saveframe_category NMR_applied_experiment _Experiment_name '2D HBCBCGCDHD-aromatic' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_17 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _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' 115 . mM pH 6.5 0.1 pH pressure 1 . atm temperature 298 1 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 $Felix stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '3D CBCA(CO)NH' '3D HNCACB' '3D HNCO' '3D HCCH-TOCSY' '3D HNHA' '3D 1H-15N NOESY' '3D 1H-13C NOESY' '3D HN(CO)CA' '3D HNCA' '3D C(CO)NH' '3D H(CCO)NH' '3D HCCH-COSY' '4D 1H-13C-13C-1H NOESY' '2D HBCBCGCDHD-aromatic' stop_ loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name YqcC _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 2 2 THR C C 175.7 0.2 1 2 3 3 THR H H 8.92 0.02 1 3 3 3 THR HA H 3.87 0.02 1 4 3 3 THR HB H 4.10 0.02 1 5 3 3 THR HG2 H 1.10 0.02 1 6 3 3 THR CA C 66.6 0.2 1 7 3 3 THR CB C 67.9 0.2 1 8 3 3 THR CG2 C 23.0 0.2 1 9 3 3 THR N N 117.8 0.2 1 10 4 4 HIS H H 8.34 0.02 1 11 4 4 HIS HA H 3.87 0.02 1 12 4 4 HIS HB2 H 2.98 0.02 2 13 4 4 HIS HB3 H 3.08 0.02 2 14 4 4 HIS HD2 H 6.91 0.02 1 15 4 4 HIS C C 177.1 0.2 1 16 4 4 HIS CA C 61.0 0.2 1 17 4 4 HIS CB C 30.4 0.2 1 18 4 4 HIS CD2 C 117.2 0.2 1 19 4 4 HIS N N 120.2 0.2 1 20 5 5 ASP H H 7.76 0.02 1 21 5 5 ASP HA H 4.39 0.02 1 22 5 5 ASP HB2 H 2.71 0.02 2 23 5 5 ASP HB3 H 2.90 0.02 2 24 5 5 ASP C C 178.9 0.2 1 25 5 5 ASP CA C 57.4 0.2 1 26 5 5 ASP CB C 40.8 0.2 1 27 5 5 ASP N N 118.8 0.2 1 28 6 6 ARG H H 8.05 0.02 1 29 6 6 ARG HA H 3.97 0.02 1 30 6 6 ARG HB2 H 1.91 0.02 2 31 6 6 ARG HB3 H 2.00 0.02 2 32 6 6 ARG HD2 H 3.09 0.02 2 33 6 6 ARG HD3 H 3.12 0.02 2 34 6 6 ARG HG2 H 1.62 0.02 2 35 6 6 ARG HG3 H 1.85 0.02 2 36 6 6 ARG C C 179.6 0.2 1 37 6 6 ARG CA C 59.8 0.2 1 38 6 6 ARG CB C 30.7 0.2 1 39 6 6 ARG CD C 43.3 0.2 1 40 6 6 ARG CG C 28.2 0.2 1 41 6 6 ARG N N 119.9 0.2 1 42 7 7 VAL H H 8.57 0.02 1 43 7 7 VAL HA H 3.35 0.02 1 44 7 7 VAL HB H 2.17 0.02 1 45 7 7 VAL HG1 H 0.83 0.02 1 46 7 7 VAL HG2 H 0.79 0.02 1 47 7 7 VAL C C 177.3 0.2 1 48 7 7 VAL CA C 66.8 0.2 1 49 7 7 VAL CB C 31.1 0.2 1 50 7 7 VAL CG1 C 22.1 0.2 1 51 7 7 VAL CG2 C 23.6 0.2 1 52 7 7 VAL N N 121.9 0.2 1 53 8 8 ARG H H 8.07 0.02 1 54 8 8 ARG HA H 3.56 0.02 1 55 8 8 ARG HB2 H 2.00 0.02 2 56 8 8 ARG HB3 H 2.17 0.02 2 57 8 8 ARG HD2 H 3.35 0.02 2 58 8 8 ARG HD3 H 3.38 0.02 2 59 8 8 ARG HE H 7.40 0.02 1 60 8 8 ARG HG2 H 1.68 0.02 2 61 8 8 ARG HG3 H 1.73 0.02 2 62 8 8 ARG C C 178.4 0.2 1 63 8 8 ARG CA C 59.9 0.2 1 64 8 8 ARG CB C 29.3 0.2 1 65 8 8 ARG CD C 42.9 0.2 1 66 8 8 ARG CG C 25.9 0.2 1 67 8 8 ARG N N 120.5 0.2 1 68 8 8 ARG NE N 84.3 0.2 1 69 9 9 LEU H H 7.74 0.02 1 70 9 9 LEU HA H 4.13 0.02 1 71 9 9 LEU HB2 H 1.56 0.02 2 72 9 9 LEU HB3 H 1.78 0.02 2 73 9 9 LEU HD1 H 0.88 0.02 1 74 9 9 LEU HD2 H 0.87 0.02 1 75 9 9 LEU HG H 1.75 0.02 1 76 9 9 LEU C C 179.9 0.2 1 77 9 9 LEU CA C 57.7 0.2 1 78 9 9 LEU CB C 42.1 0.2 1 79 9 9 LEU CD1 C 25.3 0.2 1 80 9 9 LEU CD2 C 23.4 0.2 1 81 9 9 LEU CG C 27.1 0.2 1 82 9 9 LEU N N 117.1 0.2 1 83 10 10 GLN H H 8.01 0.02 1 84 10 10 GLN HA H 4.35 0.02 1 85 10 10 GLN HB2 H 1.91 0.02 2 86 10 10 GLN HB3 H 2.15 0.02 2 87 10 10 GLN HE21 H 6.95 0.02 2 88 10 10 GLN HE22 H 8.53 0.02 2 89 10 10 GLN HG2 H 2.09 0.02 2 90 10 10 GLN HG3 H 2.14 0.02 2 91 10 10 GLN C C 178.7 0.2 1 92 10 10 GLN CA C 57.3 0.2 1 93 10 10 GLN CB C 28.2 0.2 1 94 10 10 GLN CG C 33.9 0.2 1 95 10 10 GLN N N 121.0 0.2 1 96 10 10 GLN NE2 N 116.1 0.2 1 97 11 11 LEU H H 8.72 0.02 1 98 11 11 LEU HA H 4.00 0.02 1 99 11 11 LEU HB2 H 1.16 0.02 2 100 11 11 LEU HB3 H 1.96 0.02 2 101 11 11 LEU HD1 H 0.25 0.02 1 102 11 11 LEU HD2 H 0.65 0.02 1 103 11 11 LEU HG H 1.84 0.02 1 104 11 11 LEU C C 181.1 0.2 1 105 11 11 LEU CA C 58.0 0.2 1 106 11 11 LEU CB C 42.0 0.2 1 107 11 11 LEU CD1 C 25.6 0.2 1 108 11 11 LEU CD2 C 22.3 0.2 1 109 11 11 LEU CG C 25.9 0.2 1 110 11 11 LEU N N 120.9 0.2 1 111 12 12 GLN H H 8.15 0.02 1 112 12 12 GLN HA H 4.16 0.02 1 113 12 12 GLN HB2 H 2.01 0.02 2 114 12 12 GLN HB3 H 2.38 0.02 2 115 12 12 GLN HE21 H 6.65 0.02 2 116 12 12 GLN HE22 H 7.47 0.02 2 117 12 12 GLN HG2 H 2.50 0.02 2 118 12 12 GLN HG3 H 2.64 0.02 2 119 12 12 GLN C C 178.8 0.2 1 120 12 12 GLN CA C 59.0 0.2 1 121 12 12 GLN CB C 27.7 0.2 1 122 12 12 GLN CG C 34.0 0.2 1 123 12 12 GLN N N 120.9 0.2 1 124 12 12 GLN NE2 N 109.8 0.2 1 125 13 13 ALA H H 8.26 0.02 1 126 13 13 ALA HA H 4.17 0.02 1 127 13 13 ALA HB H 1.48 0.02 1 128 13 13 ALA C C 180.9 0.2 1 129 13 13 ALA CA C 55.1 0.2 1 130 13 13 ALA CB C 17.8 0.2 1 131 13 13 ALA N N 124.8 0.2 1 132 14 14 LEU H H 8.18 0.02 1 133 14 14 LEU HA H 3.98 0.02 1 134 14 14 LEU HB2 H 1.59 0.02 2 135 14 14 LEU HB3 H 1.71 0.02 2 136 14 14 LEU HD1 H 0.83 0.02 2 137 14 14 LEU HD2 H 0.89 0.02 2 138 14 14 LEU HG H 1.67 0.02 1 139 14 14 LEU C C 177.2 0.2 1 140 14 14 LEU CA C 58.0 0.2 1 141 14 14 LEU CB C 42.6 0.2 1 142 14 14 LEU CD1 C 25.5 0.2 2 143 14 14 LEU CD2 C 23.3 0.2 2 144 14 14 LEU CG C 27.6 0.2 1 145 14 14 LEU N N 120.2 0.2 1 146 15 15 GLU H H 7.96 0.02 1 147 15 15 GLU HA H 3.67 0.02 1 148 15 15 GLU HB2 H 1.77 0.02 2 149 15 15 GLU HB3 H 1.94 0.02 2 150 15 15 GLU HG2 H 1.37 0.02 2 151 15 15 GLU HG3 H 1.39 0.02 2 152 15 15 GLU C C 177.1 0.2 1 153 15 15 GLU CA C 59.4 0.2 1 154 15 15 GLU CB C 29.1 0.2 1 155 15 15 GLU CG C 34.7 0.2 1 156 15 15 GLU N N 119.0 0.2 1 157 16 16 ALA H H 8.20 0.02 1 158 16 16 ALA HA H 3.82 0.02 1 159 16 16 ALA HB H 1.38 0.02 1 160 16 16 ALA C C 180.0 0.2 1 161 16 16 ALA CA C 55.3 0.2 1 162 16 16 ALA CB C 17.8 0.2 1 163 16 16 ALA N N 119.8 0.2 1 164 17 17 LEU H H 7.77 0.02 1 165 17 17 LEU HA H 4.28 0.02 1 166 17 17 LEU HB2 H 1.79 0.02 2 167 17 17 LEU HB3 H 1.97 0.02 2 168 17 17 LEU HD1 H 1.00 0.02 1 169 17 17 LEU HD2 H 0.82 0.02 1 170 17 17 LEU HG H 1.70 0.02 1 171 17 17 LEU C C 178.9 0.2 1 172 17 17 LEU CA C 58.3 0.2 1 173 17 17 LEU CB C 42.2 0.2 1 174 17 17 LEU CD1 C 25.5 0.2 1 175 17 17 LEU CD2 C 26.4 0.2 1 176 17 17 LEU CG C 27.3 0.2 1 177 17 17 LEU N N 120.1 0.2 1 178 18 18 LEU H H 8.08 0.02 1 179 18 18 LEU HA H 4.13 0.02 1 180 18 18 LEU HB2 H 1.71 0.02 2 181 18 18 LEU HB3 H 2.39 0.02 2 182 18 18 LEU HD1 H 1.02 0.02 2 183 18 18 LEU HD2 H 0.88 0.02 2 184 18 18 LEU HG H 2.16 0.02 1 185 18 18 LEU C C 179.8 0.2 1 186 18 18 LEU CA C 58.2 0.2 1 187 18 18 LEU CB C 41.9 0.2 1 188 18 18 LEU CD1 C 25.2 0.2 2 189 18 18 LEU CD2 C 22.6 0.2 2 190 18 18 LEU CG C 27.4 0.2 1 191 18 18 LEU N N 117.7 0.2 1 192 19 19 ARG H H 8.66 0.02 1 193 19 19 ARG HA H 4.08 0.02 1 194 19 19 ARG HB2 H 1.48 0.02 2 195 19 19 ARG HB3 H 1.58 0.02 2 196 19 19 ARG HD2 H 2.57 0.02 2 197 19 19 ARG HD3 H 2.66 0.02 2 198 19 19 ARG HE H 7.60 0.02 1 199 19 19 ARG HG2 H 0.91 0.02 2 200 19 19 ARG HG3 H 1.00 0.02 2 201 19 19 ARG C C 180.3 0.2 1 202 19 19 ARG CA C 60.0 0.2 1 203 19 19 ARG CB C 30.1 0.2 1 204 19 19 ARG CD C 42.8 0.2 1 205 19 19 ARG CG C 28.8 0.2 1 206 19 19 ARG N N 118.8 0.2 1 207 19 19 ARG NE N 85.5 0.2 1 208 20 20 GLU H H 8.57 0.02 1 209 20 20 GLU HA H 3.81 0.02 1 210 20 20 GLU HB2 H 1.78 0.02 2 211 20 20 GLU HB3 H 2.03 0.02 2 212 20 20 GLU HG2 H 1.62 0.02 2 213 20 20 GLU HG3 H 1.82 0.02 2 214 20 20 GLU C C 177.5 0.2 1 215 20 20 GLU CA C 59.0 0.2 1 216 20 20 GLU CB C 29.5 0.2 1 217 20 20 GLU CG C 35.1 0.2 1 218 20 20 GLU N N 122.1 0.2 1 219 21 21 HIS H H 7.15 0.02 1 220 21 21 HIS HA H 4.56 0.02 1 221 21 21 HIS HB2 H 2.57 0.02 2 222 21 21 HIS HB3 H 3.31 0.02 2 223 21 21 HIS HD2 H 7.20 0.02 1 224 21 21 HIS C C 172.5 0.2 1 225 21 21 HIS CA C 55.8 0.2 1 226 21 21 HIS CB C 30.3 0.2 1 227 21 21 HIS CD2 C 119.8 0.2 1 228 21 21 HIS N N 113.3 0.2 1 229 22 22 GLN H H 7.54 0.02 1 230 22 22 GLN HA H 4.05 0.02 1 231 22 22 GLN HB2 H 2.17 0.02 2 232 22 22 GLN HB3 H 2.26 0.02 2 233 22 22 GLN HE21 H 6.76 0.02 2 234 22 22 GLN HE22 H 7.43 0.02 2 235 22 22 GLN HG2 H 2.16 0.02 2 236 22 22 GLN HG3 H 2.19 0.02 2 237 22 22 GLN C C 175.1 0.2 1 238 22 22 GLN CA C 57.5 0.2 1 239 22 22 GLN CB C 24.9 0.2 1 240 22 22 GLN CG C 34.4 0.2 1 241 22 22 GLN N N 110.3 0.2 1 242 22 22 GLN NE2 N 112.7 0.2 1 243 23 23 HIS H H 8.49 0.02 1 244 23 23 HIS HA H 4.92 0.02 1 245 23 23 HIS HB2 H 2.88 0.02 2 246 23 23 HIS HB3 H 3.34 0.02 2 247 23 23 HIS HD2 H 6.65 0.02 1 248 23 23 HIS C C 174.7 0.2 1 249 23 23 HIS CA C 55.4 0.2 1 250 23 23 HIS CB C 32.4 0.2 1 251 23 23 HIS CD2 C 117.1 0.2 1 252 23 23 HIS N N 115.5 0.2 1 253 24 24 TRP H H 7.18 0.02 1 254 24 24 TRP HA H 4.24 0.02 1 255 24 24 TRP HB2 H 2.44 0.02 2 256 24 24 TRP HB3 H 3.21 0.02 2 257 24 24 TRP HD1 H 6.87 0.02 1 258 24 24 TRP HE1 H 9.81 0.02 1 259 24 24 TRP HE3 H 7.31 0.02 1 260 24 24 TRP HH2 H 7.00 0.02 1 261 24 24 TRP HZ2 H 7.31 0.02 1 262 24 24 TRP HZ3 H 6.66 0.02 1 263 24 24 TRP CA C 56.4 0.2 1 264 24 24 TRP CB C 30.5 0.2 1 265 24 24 TRP CD1 C 127.9 0.2 1 266 24 24 TRP CE3 C 119.6 0.2 1 267 24 24 TRP CH2 C 123.3 0.2 1 268 24 24 TRP CZ2 C 115.4 0.2 1 269 24 24 TRP CZ3 C 119.6 0.2 1 270 24 24 TRP N N 120.7 0.2 1 271 24 24 TRP NE1 N 130.3 0.2 1 272 29 29 PRO C C 176.2 0.2 1 273 29 29 PRO CA C 61.8 0.2 1 274 29 29 PRO CB C 30.2 0.2 1 275 30 30 GLN H H 8.45 0.02 1 276 30 30 GLN HA H 4.40 0.02 1 277 30 30 GLN HB2 H 1.46 0.02 2 278 30 30 GLN HB3 H 2.16 0.02 2 279 30 30 GLN HE21 H 6.89 0.02 2 280 30 30 GLN HE22 H 7.61 0.02 2 281 30 30 GLN HG2 H 2.41 0.02 2 282 30 30 GLN HG3 H 2.47 0.02 2 283 30 30 GLN CA C 53.5 0.2 1 284 30 30 GLN CB C 28.8 0.2 1 285 30 30 GLN CG C 34.0 0.2 1 286 30 30 GLN N N 120.3 0.2 1 287 30 30 GLN NE2 N 113.9 0.2 1 288 31 31 PRO HA H 4.19 0.02 1 289 31 31 PRO HB2 H 1.95 0.02 2 290 31 31 PRO HB3 H 2.31 0.02 2 291 31 31 PRO HD2 H 3.74 0.02 2 292 31 31 PRO HD3 H 3.78 0.02 2 293 31 31 PRO HG2 H 1.99 0.02 2 294 31 31 PRO HG3 H 2.14 0.02 2 295 31 31 PRO C C 179.4 0.2 1 296 31 31 PRO CA C 65.8 0.2 1 297 31 31 PRO CB C 31.8 0.2 1 298 31 31 PRO CD C 50.2 0.2 1 299 31 31 PRO CG C 27.4 0.2 1 300 32 32 HIS H H 8.01 0.02 1 301 32 32 HIS HA H 4.40 0.02 1 302 32 32 HIS HB2 H 3.00 0.02 2 303 32 32 HIS HB3 H 3.25 0.02 2 304 32 32 HIS HD2 H 6.90 0.02 1 305 32 32 HIS C C 178.3 0.2 1 306 32 32 HIS CA C 58.4 0.2 1 307 32 32 HIS CB C 29.1 0.2 1 308 32 32 HIS CD2 C 118.2 0.2 1 309 32 32 HIS N N 112.8 0.2 1 310 33 33 GLN H H 7.85 0.02 1 311 33 33 GLN HA H 3.70 0.02 1 312 33 33 GLN HB2 H 1.50 0.02 2 313 33 33 GLN HB3 H 1.69 0.02 2 314 33 33 GLN HG2 H 2.19 0.02 2 315 33 33 GLN HG3 H 2.22 0.02 2 316 33 33 GLN CA C 58.8 0.2 1 317 33 33 GLN CB C 29.8 0.2 1 318 33 33 GLN CG C 37.2 0.2 1 319 33 33 GLN N N 119.5 0.2 1 320 34 34 PHE H H 7.18 0.02 1 321 34 34 PHE HA H 4.03 0.02 1 322 34 34 PHE HB2 H 2.75 0.02 2 323 34 34 PHE HB3 H 3.30 0.02 2 324 34 34 PHE HD1 H 7.20 0.02 3 325 34 34 PHE HE1 H 7.01 0.02 3 326 34 34 PHE HZ H 6.95 0.02 1 327 34 34 PHE C C 174.7 0.2 1 328 34 34 PHE CA C 58.0 0.2 1 329 34 34 PHE CB C 38.5 0.2 1 330 34 34 PHE CD1 C 131.9 0.2 3 331 34 34 PHE CE1 C 131.2 0.2 3 332 34 34 PHE CZ C 129.0 0.2 1 333 34 34 PHE N N 113.4 0.2 1 334 35 35 ASN H H 7.16 0.02 1 335 35 35 ASN HA H 4.74 0.02 1 336 35 35 ASN HB2 H 2.68 0.02 2 337 35 35 ASN HB3 H 2.96 0.02 2 338 35 35 ASN HD21 H 6.78 0.02 2 339 35 35 ASN HD22 H 7.59 0.02 2 340 35 35 ASN CA C 51.9 0.2 1 341 35 35 ASN CB C 37.2 0.2 1 342 35 35 ASN N N 118.7 0.2 1 343 35 35 ASN ND2 N 111.2 0.2 1 344 36 36 SER HA H 4.50 0.02 1 345 36 36 SER HB2 H 3.76 0.02 2 346 36 36 SER HB3 H 3.80 0.02 2 347 36 36 SER C C 175.1 0.2 1 348 36 36 SER CA C 56.4 0.2 1 349 36 36 SER CB C 63.1 0.2 1 350 37 37 THR H H 9.13 0.02 1 351 37 37 THR HA H 4.53 0.02 1 352 37 37 THR HB H 4.54 0.02 1 353 37 37 THR HG2 H 1.13 0.02 1 354 37 37 THR C C 178.4 0.2 1 355 37 37 THR CA C 60.7 0.2 1 356 37 37 THR CB C 68.8 0.2 1 357 37 37 THR CG2 C 21.3 0.2 1 358 37 37 THR N N 117.5 0.2 1 359 38 38 GLN H H 8.84 0.02 1 360 38 38 GLN HA H 4.61 0.02 1 361 38 38 GLN HB2 H 1.70 0.02 2 362 38 38 GLN HB3 H 2.13 0.02 2 363 38 38 GLN HE21 H 6.67 0.02 2 364 38 38 GLN HE22 H 7.35 0.02 2 365 38 38 GLN HG2 H 2.26 0.02 2 366 38 38 GLN HG3 H 2.33 0.02 2 367 38 38 GLN CA C 53.8 0.2 1 368 38 38 GLN CB C 28.8 0.2 1 369 38 38 GLN CG C 33.6 0.2 1 370 38 38 GLN N N 122.9 0.2 1 371 38 38 GLN NE2 N 112.1 0.2 1 372 39 39 PRO HA H 3.90 0.02 1 373 39 39 PRO HB2 H 1.61 0.02 2 374 39 39 PRO HB3 H 1.89 0.02 2 375 39 39 PRO HD2 H 3.56 0.02 2 376 39 39 PRO HD3 H 3.80 0.02 2 377 39 39 PRO HG2 H 1.82 0.02 2 378 39 39 PRO HG3 H 2.03 0.02 2 379 39 39 PRO C C 176.5 0.2 1 380 39 39 PRO CA C 63.4 0.2 1 381 39 39 PRO CB C 31.5 0.2 1 382 39 39 PRO CD C 50.9 0.2 1 383 39 39 PRO CG C 27.4 0.2 1 384 40 40 PHE H H 7.82 0.02 1 385 40 40 PHE HB2 H 1.91 0.02 2 386 40 40 PHE HB3 H 1.71 0.02 2 387 40 40 PHE HD1 H 5.22 0.02 3 388 40 40 PHE HE1 H 6.73 0.02 3 389 40 40 PHE HZ H 6.96 0.02 1 390 40 40 PHE C C 172.7 0.2 1 391 40 40 PHE CA C 58.0 0.2 1 392 40 40 PHE CB C 35.7 0.2 1 393 40 40 PHE CD1 C 131.3 0.2 3 394 40 40 PHE CE1 C 129.8 0.2 3 395 40 40 PHE CZ C 127.8 0.2 1 396 40 40 PHE N N 117.0 0.2 1 397 41 41 PHE H H 8.10 0.02 1 398 41 41 PHE HA H 4.79 0.02 1 399 41 41 PHE HB2 H 3.35 0.02 2 400 41 41 PHE HB3 H 3.77 0.02 2 401 41 41 PHE HD1 H 7.45 0.02 3 402 41 41 PHE HE1 H 7.42 0.02 3 403 41 41 PHE HZ H 7.45 0.02 1 404 41 41 PHE C C 179.0 0.2 1 405 41 41 PHE CA C 54.5 0.2 1 406 41 41 PHE CB C 35.1 0.2 1 407 41 41 PHE CD1 C 130.6 0.2 3 408 41 41 PHE CE1 C 131.6 0.2 3 409 41 41 PHE CZ C 128.7 0.2 1 410 41 41 PHE N N 113.2 0.2 1 411 42 42 MET H H 7.24 0.02 1 412 42 42 MET HA H 4.16 0.02 1 413 42 42 MET HB2 H 2.14 0.02 2 414 42 42 MET HB3 H 2.20 0.02 2 415 42 42 MET HE H 2.11 0.02 1 416 42 42 MET HG2 H 2.47 0.02 2 417 42 42 MET HG3 H 2.67 0.02 2 418 42 42 MET C C 176.1 0.2 1 419 42 42 MET CA C 59.3 0.2 1 420 42 42 MET CB C 33.2 0.2 1 421 42 42 MET CE C 16.7 0.2 1 422 42 42 MET CG C 30.4 0.2 1 423 42 42 MET N N 112.9 0.2 1 424 43 43 ASP H H 9.55 0.02 1 425 43 43 ASP HA H 4.47 0.02 1 426 43 43 ASP HB2 H 2.62 0.02 2 427 43 43 ASP HB3 H 2.70 0.02 2 428 43 43 ASP C C 177.3 0.2 1 429 43 43 ASP CA C 54.2 0.2 1 430 43 43 ASP CB C 39.3 0.2 1 431 43 43 ASP N N 115.4 0.2 1 432 44 44 THR H H 7.95 0.02 1 433 44 44 THR HA H 4.64 0.02 1 434 44 44 THR HB H 4.24 0.02 1 435 44 44 THR HG2 H 0.97 0.02 1 436 44 44 THR C C 175.2 0.2 1 437 44 44 THR CA C 62.1 0.2 1 438 44 44 THR CB C 70.2 0.2 1 439 44 44 THR CG2 C 22.5 0.2 1 440 44 44 THR N N 110.8 0.2 1 441 45 45 MET H H 8.83 0.02 1 442 45 45 MET HA H 5.01 0.02 1 443 45 45 MET HB2 H 2.13 0.02 2 444 45 45 MET HB3 H 2.17 0.02 2 445 45 45 MET HE H 2.02 0.02 1 446 45 45 MET HG2 H 2.62 0.02 2 447 45 45 MET HG3 H 2.83 0.02 2 448 45 45 MET CA C 55.8 0.2 1 449 45 45 MET CB C 36.2 0.2 1 450 45 45 MET CE C 16.8 0.2 1 451 45 45 MET CG C 34.2 0.2 1 452 45 45 MET N N 122.8 0.2 1 453 46 46 GLU H H 9.30 0.02 1 454 46 46 GLU HA H 4.55 0.02 1 455 46 46 GLU HB2 H 2.49 0.02 2 456 46 46 GLU HB3 H 2.53 0.02 2 457 46 46 GLU HG2 H 2.35 0.02 2 458 46 46 GLU HG3 H 2.48 0.02 2 459 46 46 GLU CA C 55.1 0.2 1 460 46 46 GLU CB C 28.6 0.2 1 461 46 46 GLU CG C 36.4 0.2 1 462 46 46 GLU N N 124.2 0.2 1 463 47 47 PRO HA H 4.72 0.02 1 464 47 47 PRO HB2 H 1.73 0.02 2 465 47 47 PRO HB3 H 1.93 0.02 2 466 47 47 PRO HD2 H 3.89 0.02 2 467 47 47 PRO HD3 H 3.92 0.02 2 468 47 47 PRO HG2 H 1.88 0.02 2 469 47 47 PRO HG3 H 1.90 0.02 2 470 47 47 PRO C C 181.6 0.2 1 471 47 47 PRO CA C 66.7 0.2 1 472 47 47 PRO CB C 32.6 0.2 1 473 47 47 PRO CD C 49.6 0.2 1 474 47 47 PRO CG C 27.8 0.2 1 475 48 48 LEU H H 9.96 0.02 1 476 48 48 LEU HA H 4.29 0.02 1 477 48 48 LEU HD1 H 0.78 0.02 2 478 48 48 LEU CA C 58.5 0.2 1 479 48 48 LEU CB C 39.7 0.2 1 480 48 48 LEU CD1 C 23.0 0.2 2 481 48 48 LEU N N 120.7 0.2 1 482 50 50 TRP H H 7.97 0.02 1 483 50 50 TRP HA H 4.18 0.02 1 484 50 50 TRP HB2 H 3.05 0.02 2 485 50 50 TRP HB3 H 3.49 0.02 2 486 50 50 TRP HD1 H 6.68 0.02 1 487 50 50 TRP HE1 H 9.42 0.02 1 488 50 50 TRP HE3 H 8.31 0.02 1 489 50 50 TRP HH2 H 7.05 0.02 1 490 50 50 TRP HZ2 H 7.09 0.02 1 491 50 50 TRP HZ3 H 7.19 0.02 1 492 50 50 TRP CA C 62.4 0.2 1 493 50 50 TRP CB C 28.9 0.2 1 494 50 50 TRP CD1 C 127.4 0.2 1 495 50 50 TRP CE3 C 122.2 0.2 1 496 50 50 TRP CH2 C 123.8 0.2 1 497 50 50 TRP CZ2 C 114.1 0.2 1 498 50 50 TRP CZ3 C 121.8 0.2 1 499 50 50 TRP NE1 N 128.5 0.2 1 500 51 51 LEU H H 7.46 0.02 1 501 51 51 LEU HA H 3.90 0.02 1 502 51 51 LEU HB2 H 2.21 0.02 2 503 51 51 LEU HB3 H 2.25 0.02 2 504 51 51 LEU HD1 H 0.82 0.02 2 505 51 51 LEU HD2 H 0.83 0.02 2 506 51 51 LEU CA C 58.2 0.2 1 507 51 51 LEU CB C 42.4 0.2 1 508 51 51 LEU CD1 C 25.3 0.2 2 509 51 51 LEU CD2 C 25.8 0.2 2 510 51 51 LEU N N 117.6 0.2 1 511 53 53 TRP H H 8.52 0.02 1 512 53 53 TRP HA H 4.69 0.02 1 513 53 53 TRP C C 176.3 0.2 1 514 53 53 TRP CA C 56.6 0.2 1 515 53 53 TRP CB C 29.8 0.2 1 516 54 54 VAL H H 7.64 0.02 1 517 54 54 VAL HA H 4.03 0.02 1 518 54 54 VAL HB H 0.63 0.02 1 519 54 54 VAL HG1 H 0.38 0.02 1 520 54 54 VAL HG2 H 0.67 0.02 1 521 54 54 VAL C C 175.2 0.2 1 522 54 54 VAL CA C 64.3 0.2 1 523 54 54 VAL CB C 31.9 0.2 1 524 54 54 VAL CG1 C 20.6 0.2 1 525 54 54 VAL CG2 C 21.7 0.2 1 526 54 54 VAL N N 118.3 0.2 1 527 55 55 LEU H H 6.96 0.02 1 528 55 55 LEU HA H 3.42 0.02 1 529 55 55 LEU HB2 H 1.63 0.02 2 530 55 55 LEU HB3 H 1.65 0.02 2 531 55 55 LEU HD1 H 1.02 0.02 1 532 55 55 LEU HD2 H 0.94 0.02 1 533 55 55 LEU HG H 1.47 0.02 1 534 55 55 LEU C C 177.6 0.2 1 535 55 55 LEU CA C 59.1 0.2 1 536 55 55 LEU CB C 40.4 0.2 1 537 55 55 LEU CD1 C 24.0 0.2 1 538 55 55 LEU CD2 C 25.5 0.2 1 539 55 55 LEU CG C 27.6 0.2 1 540 55 55 LEU N N 119.0 0.2 1 541 56 56 ILE H H 8.00 0.02 1 542 56 56 ILE HA H 3.67 0.02 1 543 56 56 ILE HB H 2.26 0.02 1 544 56 56 ILE HD1 H 1.01 0.02 1 545 56 56 ILE HG12 H 0.98 0.02 2 546 56 56 ILE HG13 H 1.78 0.02 2 547 56 56 ILE HG2 H 1.23 0.02 1 548 56 56 ILE CA C 68.3 0.2 1 549 56 56 ILE CB C 36.6 0.2 1 550 56 56 ILE CD1 C 14.1 0.2 1 551 56 56 ILE CG1 C 31.4 0.2 1 552 56 56 ILE CG2 C 18.1 0.2 1 553 56 56 ILE N N 114.3 0.2 1 554 57 57 PRO HA H 4.48 0.02 1 555 57 57 PRO HB2 H 1.85 0.02 2 556 57 57 PRO HB3 H 2.31 0.02 2 557 57 57 PRO HD2 H 3.14 0.02 2 558 57 57 PRO HD3 H 3.51 0.02 2 559 57 57 PRO HG2 H 1.91 0.02 2 560 57 57 PRO HG3 H 1.96 0.02 2 561 57 57 PRO C C 180.2 0.2 1 562 57 57 PRO CA C 65.7 0.2 1 563 57 57 PRO CB C 30.7 0.2 1 564 57 57 PRO CD C 49.8 0.2 1 565 57 57 PRO CG C 28.7 0.2 1 566 58 58 ARG H H 7.82 0.02 1 567 58 58 ARG HA H 4.15 0.02 1 568 58 58 ARG HB2 H 1.73 0.02 1 569 58 58 ARG HB3 H 1.97 0.02 1 570 58 58 ARG HD2 H 3.01 0.02 2 571 58 58 ARG HD3 H 3.12 0.02 2 572 58 58 ARG HE H 7.38 0.02 1 573 58 58 ARG HG2 H 1.69 0.02 2 574 58 58 ARG HG3 H 1.84 0.02 2 575 58 58 ARG C C 179.9 0.2 1 576 58 58 ARG CA C 59.3 0.2 1 577 58 58 ARG CB C 29.8 0.2 1 578 58 58 ARG CD C 43.5 0.2 1 579 58 58 ARG CG C 27.5 0.2 1 580 58 58 ARG N N 116.3 0.2 1 581 58 58 ARG NE N 85.2 0.2 1 582 59 59 MET H H 8.52 0.02 1 583 59 59 MET HA H 4.43 0.02 1 584 59 59 MET HB2 H 1.76 0.02 2 585 59 59 MET HB3 H 2.19 0.02 2 586 59 59 MET HE H 1.60 0.02 1 587 59 59 MET HG2 H 2.41 0.02 2 588 59 59 MET HG3 H 2.56 0.02 2 589 59 59 MET C C 178.6 0.2 1 590 59 59 MET CA C 57.0 0.2 1 591 59 59 MET CB C 31.6 0.2 1 592 59 59 MET CE C 17.8 0.2 1 593 59 59 MET CG C 33.5 0.2 1 594 59 59 MET N N 119.6 0.2 1 595 60 60 HIS H H 8.34 0.02 1 596 60 60 HIS HA H 4.28 0.02 1 597 60 60 HIS HB2 H 3.02 0.02 2 598 60 60 HIS HB3 H 3.12 0.02 2 599 60 60 HIS HD2 H 6.98 0.02 1 600 60 60 HIS HE1 H 7.57 0.02 1 601 60 60 HIS C C 178.0 0.2 1 602 60 60 HIS CA C 61.0 0.2 1 603 60 60 HIS CB C 30.2 0.2 1 604 60 60 HIS CD2 C 119.6 0.2 1 605 60 60 HIS CE1 C 137.2 0.2 1 606 60 60 HIS N N 118.6 0.2 1 607 61 61 ASP H H 7.81 0.02 1 608 61 61 ASP HA H 4.35 0.02 1 609 61 61 ASP HB2 H 2.68 0.02 2 610 61 61 ASP HB3 H 2.79 0.02 2 611 61 61 ASP C C 178.2 0.2 1 612 61 61 ASP CA C 57.8 0.2 1 613 61 61 ASP CB C 41.1 0.2 1 614 61 61 ASP N N 118.5 0.2 1 615 62 62 LEU H H 7.68 0.02 1 616 62 62 LEU HA H 4.04 0.02 1 617 62 62 LEU HB2 H 1.63 0.02 2 618 62 62 LEU HB3 H 1.90 0.02 2 619 62 62 LEU HD1 H 0.89 0.02 1 620 62 62 LEU HD2 H 0.79 0.02 1 621 62 62 LEU HG H 1.83 0.02 1 622 62 62 LEU C C 179.8 0.2 1 623 62 62 LEU CA C 58.9 0.2 1 624 62 62 LEU CB C 42.1 0.2 1 625 62 62 LEU CD1 C 26.6 0.2 1 626 62 62 LEU CD2 C 23.9 0.2 1 627 62 62 LEU CG C 27.0 0.2 1 628 62 62 LEU N N 121.2 0.2 1 629 63 63 LEU H H 8.08 0.02 1 630 63 63 LEU HA H 4.06 0.02 1 631 63 63 LEU HB2 H 1.41 0.02 2 632 63 63 LEU HB3 H 2.05 0.02 2 633 63 63 LEU HD1 H 0.69 0.02 1 634 63 63 LEU HD2 H 0.71 0.02 1 635 63 63 LEU HG H 1.99 0.02 1 636 63 63 LEU C C 181.6 0.2 1 637 63 63 LEU CA C 57.6 0.2 1 638 63 63 LEU CB C 41.0 0.2 1 639 63 63 LEU CD1 C 25.9 0.2 1 640 63 63 LEU CD2 C 22.9 0.2 1 641 63 63 LEU CG C 26.2 0.2 1 642 63 63 LEU N N 118.3 0.2 1 643 64 64 ASP H H 9.09 0.02 1 644 64 64 ASP HA H 4.31 0.02 1 645 64 64 ASP HB2 H 2.65 0.02 2 646 64 64 ASP HB3 H 2.87 0.02 2 647 64 64 ASP C C 177.6 0.2 1 648 64 64 ASP CA C 57.3 0.2 1 649 64 64 ASP CB C 40.2 0.2 1 650 64 64 ASP N N 122.6 0.2 1 651 65 65 ASN H H 7.73 0.02 1 652 65 65 ASN HA H 4.74 0.02 1 653 65 65 ASN HB2 H 2.69 0.02 2 654 65 65 ASN HB3 H 2.91 0.02 2 655 65 65 ASN HD21 H 6.97 0.02 2 656 65 65 ASN HD22 H 7.50 0.02 2 657 65 65 ASN C C 173.8 0.2 1 658 65 65 ASN CA C 53.6 0.2 1 659 65 65 ASN CB C 39.5 0.2 1 660 65 65 ASN N N 115.0 0.2 1 661 65 65 ASN ND2 N 115.9 0.2 1 662 66 66 LYS H H 8.04 0.02 1 663 66 66 LYS HA H 3.73 0.02 1 664 66 66 LYS HB2 H 1.83 0.02 2 665 66 66 LYS HB3 H 1.90 0.02 2 666 66 66 LYS HD2 H 1.57 0.02 2 667 66 66 LYS HD3 H 1.65 0.02 2 668 66 66 LYS HE2 H 2.93 0.02 2 669 66 66 LYS HE3 H 2.95 0.02 2 670 66 66 LYS HG2 H 1.27 0.02 2 671 66 66 LYS HG3 H 1.33 0.02 2 672 66 66 LYS C C 175.8 0.2 1 673 66 66 LYS CA C 57.4 0.2 1 674 66 66 LYS CB C 29.2 0.2 1 675 66 66 LYS CD C 29.2 0.2 1 676 66 66 LYS CE C 42.3 0.2 1 677 66 66 LYS CG C 25.1 0.2 1 678 66 66 LYS N N 118.0 0.2 1 679 67 67 GLN H H 8.04 0.02 1 680 67 67 GLN HA H 4.48 0.02 1 681 67 67 GLN HB2 H 1.84 0.02 2 682 67 67 GLN HB3 H 2.13 0.02 2 683 67 67 GLN HE21 H 6.91 0.02 2 684 67 67 GLN HE22 H 7.35 0.02 2 685 67 67 GLN HG2 H 2.28 0.02 2 686 67 67 GLN HG3 H 2.35 0.02 2 687 67 67 GLN CA C 53.9 0.2 1 688 67 67 GLN CB C 29.2 0.2 1 689 67 67 GLN CG C 34.3 0.2 1 690 67 67 GLN N N 118.4 0.2 1 691 67 67 GLN NE2 N 113.0 0.2 1 692 68 68 PRO HA H 4.40 0.02 1 693 68 68 PRO HB2 H 1.75 0.02 2 694 68 68 PRO HB3 H 2.26 0.02 2 695 68 68 PRO HD2 H 3.53 0.02 2 696 68 68 PRO HD3 H 3.73 0.02 2 697 68 68 PRO HG2 H 1.94 0.02 2 698 68 68 PRO HG3 H 2.03 0.02 2 699 68 68 PRO C C 176.3 0.2 1 700 68 68 PRO CA C 62.7 0.2 1 701 68 68 PRO CB C 32.0 0.2 1 702 68 68 PRO CD C 50.0 0.2 1 703 68 68 PRO CG C 27.6 0.2 1 704 69 69 LEU H H 8.42 0.02 1 705 69 69 LEU HA H 4.31 0.02 1 706 69 69 LEU HB2 H 1.34 0.02 2 707 69 69 LEU HB3 H 1.69 0.02 2 708 69 69 LEU HD1 H 0.59 0.02 1 709 69 69 LEU HD2 H 0.62 0.02 1 710 69 69 LEU HG H 1.55 0.02 1 711 69 69 LEU CA C 52.9 0.2 1 712 69 69 LEU CB C 40.1 0.2 1 713 69 69 LEU CD1 C 25.7 0.2 1 714 69 69 LEU CD2 C 22.8 0.2 1 715 69 69 LEU CG C 27.1 0.2 1 716 69 69 LEU N N 121.7 0.2 1 717 70 70 PRO HA H 4.30 0.02 1 718 70 70 PRO HB2 H 1.72 0.02 2 719 70 70 PRO HB3 H 2.06 0.02 2 720 70 70 PRO HD2 H 3.26 0.02 2 721 70 70 PRO HD3 H 3.49 0.02 2 722 70 70 PRO HG2 H 1.54 0.02 2 723 70 70 PRO HG3 H 1.59 0.02 2 724 70 70 PRO C C 176.2 0.2 1 725 70 70 PRO CA C 62.7 0.2 1 726 70 70 PRO CB C 31.8 0.2 1 727 70 70 PRO CD C 49.8 0.2 1 728 70 70 PRO CG C 27.1 0.2 1 729 71 71 GLY H H 8.19 0.02 1 730 71 71 GLY HA2 H 3.68 0.02 2 731 71 71 GLY HA3 H 4.12 0.02 2 732 71 71 GLY C C 173.7 0.2 1 733 71 71 GLY CA C 45.3 0.2 1 734 71 71 GLY N N 108.6 0.2 1 735 72 72 ALA H H 8.22 0.02 1 736 72 72 ALA HA H 4.23 0.02 1 737 72 72 ALA HB H 1.28 0.02 1 738 72 72 ALA C C 176.0 0.2 1 739 72 72 ALA CA C 52.3 0.2 1 740 72 72 ALA CB C 18.4 0.2 1 741 72 72 ALA N N 122.7 0.2 1 742 73 73 PHE H H 7.85 0.02 1 743 73 73 PHE HA H 4.37 0.02 1 744 73 73 PHE HB2 H 2.48 0.02 2 745 73 73 PHE HB3 H 2.58 0.02 2 746 73 73 PHE HD1 H 6.84 0.02 3 747 73 73 PHE HE1 H 7.06 0.02 3 748 73 73 PHE HZ H 7.00 0.02 1 749 73 73 PHE C C 173.3 0.2 1 750 73 73 PHE CA C 57.8 0.2 1 751 73 73 PHE CB C 41.0 0.2 1 752 73 73 PHE CD1 C 131.7 0.2 3 753 73 73 PHE CE1 C 130.6 0.2 3 754 73 73 PHE CZ C 128.9 0.2 1 755 73 73 PHE N N 122.0 0.2 1 756 74 74 ALA H H 7.66 0.02 1 757 74 74 ALA HA H 4.52 0.02 1 758 74 74 ALA HB H 1.20 0.02 1 759 74 74 ALA C C 176.8 0.2 1 760 74 74 ALA CA C 51.8 0.2 1 761 74 74 ALA CB C 20.8 0.2 1 762 74 74 ALA N N 128.4 0.2 1 763 75 75 VAL H H 11.39 0.02 1 764 75 75 VAL HA H 4.66 0.02 1 765 75 75 VAL HB H 2.50 0.02 1 766 75 75 VAL HG1 H 1.08 0.02 1 767 75 75 VAL HG2 H 1.06 0.02 1 768 75 75 VAL C C 176.5 0.2 1 769 75 75 VAL CA C 62.0 0.2 1 770 75 75 VAL CB C 34.0 0.2 1 771 75 75 VAL CG1 C 23.3 0.2 1 772 75 75 VAL CG2 C 21.1 0.2 1 773 75 75 VAL N N 121.4 0.2 1 774 76 76 ALA H H 10.95 0.02 1 775 76 76 ALA HA H 4.09 0.02 1 776 76 76 ALA HB H 1.35 0.02 1 777 76 76 ALA CA C 57.5 0.2 1 778 76 76 ALA CB C 16.3 0.2 1 779 76 76 ALA N N 129.2 0.2 1 780 77 77 PRO HA H 4.17 0.02 1 781 77 77 PRO HB2 H 1.69 0.02 2 782 77 77 PRO HB3 H 2.22 0.02 2 783 77 77 PRO HD2 H 3.25 0.02 2 784 77 77 PRO HD3 H 3.73 0.02 2 785 77 77 PRO HG2 H 1.82 0.02 2 786 77 77 PRO HG3 H 1.92 0.02 2 787 77 77 PRO C C 179.6 0.2 1 788 77 77 PRO CA C 66.0 0.2 1 789 77 77 PRO CB C 30.8 0.2 1 790 77 77 PRO CD C 50.8 0.2 1 791 77 77 PRO CG C 28.2 0.2 1 792 78 78 TYR H H 7.26 0.02 1 793 78 78 TYR HA H 3.94 0.02 1 794 78 78 TYR HB2 H 2.01 0.02 2 795 78 78 TYR HB3 H 2.45 0.02 2 796 78 78 TYR HD1 H 5.86 0.02 3 797 78 78 TYR HE1 H 5.91 0.02 3 798 78 78 TYR C C 177.2 0.2 1 799 78 78 TYR CA C 60.5 0.2 1 800 78 78 TYR CB C 37.8 0.2 1 801 78 78 TYR CD1 C 132.7 0.2 3 802 78 78 TYR CE1 C 116.9 0.2 3 803 78 78 TYR N N 116.7 0.2 1 804 79 79 TYR H H 7.42 0.02 1 805 79 79 TYR HA H 3.10 0.02 1 806 79 79 TYR HB2 H 2.43 0.02 2 807 79 79 TYR HB3 H 2.69 0.02 2 808 79 79 TYR HD1 H 7.07 0.02 3 809 79 79 TYR HE1 H 6.48 0.02 3 810 79 79 TYR C C 176.7 0.2 1 811 79 79 TYR CA C 63.5 0.2 1 812 79 79 TYR CB C 38.6 0.2 1 813 79 79 TYR CD1 C 132.2 0.2 3 814 79 79 TYR CE1 C 117.6 0.2 3 815 79 79 TYR N N 118.6 0.2 1 816 80 80 GLU H H 8.58 0.02 1 817 80 80 GLU HA H 3.78 0.02 1 818 80 80 GLU HB2 H 1.89 0.02 2 819 80 80 GLU HB3 H 2.00 0.02 2 820 80 80 GLU HG2 H 2.13 0.02 2 821 80 80 GLU HG3 H 2.18 0.02 2 822 80 80 GLU C C 177.7 0.2 1 823 80 80 GLU CA C 58.8 0.2 1 824 80 80 GLU CB C 29.4 0.2 1 825 80 80 GLU CG C 36.0 0.2 1 826 80 80 GLU N N 119.8 0.2 1 827 81 81 MET H H 6.79 0.02 1 828 81 81 MET HA H 4.20 0.02 1 829 81 81 MET HB2 H 1.84 0.02 2 830 81 81 MET HB3 H 1.91 0.02 2 831 81 81 MET HE H 1.94 0.02 1 832 81 81 MET HG2 H 2.34 0.02 2 833 81 81 MET HG3 H 2.51 0.02 2 834 81 81 MET C C 177.4 0.2 1 835 81 81 MET CA C 56.5 0.2 1 836 81 81 MET CB C 32.8 0.2 1 837 81 81 MET CE C 16.7 0.2 1 838 81 81 MET CG C 31.4 0.2 1 839 81 81 MET N N 114.8 0.2 1 840 82 82 ALA H H 8.18 0.02 1 841 82 82 ALA HA H 3.86 0.02 1 842 82 82 ALA HB H 0.35 0.02 1 843 82 82 ALA CA C 53.7 0.2 1 844 82 82 ALA CB C 19.6 0.2 1 845 82 82 ALA N N 120.5 0.2 1 846 83 83 LEU H H 7.80 0.02 1 847 83 83 LEU HA H 4.29 0.02 1 848 83 83 LEU HB2 H 1.70 0.02 2 849 83 83 LEU HB3 H 1.74 0.02 2 850 83 83 LEU HD1 H 0.60 0.02 2 851 83 83 LEU CA C 53.9 0.2 1 852 83 83 LEU CB C 41.8 0.2 1 853 83 83 LEU CD1 C 25.4 0.2 2 854 83 83 LEU N N 116.3 0.2 1 855 84 84 ALA H H 9.14 0.02 1 856 84 84 ALA HA H 4.25 0.02 1 857 84 84 ALA HB H 1.55 0.02 1 858 84 84 ALA C C 180.0 0.2 1 859 84 84 ALA CA C 52.7 0.2 1 860 84 84 ALA CB C 19.3 0.2 1 861 84 84 ALA N N 128.8 0.2 1 862 85 85 THR H H 8.86 0.02 1 863 85 85 THR HA H 3.66 0.02 1 864 85 85 THR HB H 4.13 0.02 1 865 85 85 THR HG2 H 1.22 0.02 1 866 85 85 THR C C 174.4 0.2 1 867 85 85 THR CA C 65.5 0.2 1 868 85 85 THR CB C 68.5 0.2 1 869 85 85 THR CG2 C 22.0 0.2 1 870 85 85 THR N N 116.3 0.2 1 871 86 86 ASP H H 8.13 0.02 1 872 86 86 ASP HA H 4.60 0.02 1 873 86 86 ASP HB2 H 2.52 0.02 2 874 86 86 ASP HB3 H 2.86 0.02 2 875 86 86 ASP CA C 52.2 0.2 1 876 86 86 ASP CB C 39.8 0.2 1 877 86 86 ASP N N 116.7 0.2 1 878 90 90 ARG HA H 3.37 0.02 1 879 90 90 ARG HB2 H 1.74 0.02 2 880 90 90 ARG HB3 H 2.20 0.02 2 881 90 90 ARG HD2 H 3.19 0.02 2 882 90 90 ARG HD3 H 3.34 0.02 2 883 90 90 ARG HG2 H 1.09 0.02 2 884 90 90 ARG HG3 H 1.23 0.02 2 885 90 90 ARG CA C 61.1 0.2 1 886 90 90 ARG CB C 31.2 0.2 1 887 90 90 ARG CD C 43.3 0.2 1 888 90 90 ARG CG C 28.2 0.2 1 889 91 91 ALA H H 8.48 0.02 1 890 91 91 ALA HA H 4.00 0.02 1 891 91 91 ALA HB H 1.37 0.02 1 892 91 91 ALA C C 180.9 0.2 1 893 91 91 ALA CA C 55.1 0.2 1 894 91 91 ALA CB C 17.9 0.2 1 895 91 91 ALA N N 117.1 0.2 1 896 92 92 LEU H H 7.28 0.02 1 897 92 92 LEU HA H 4.04 0.02 1 898 92 92 LEU HB2 H 1.55 0.02 2 899 92 92 LEU HB3 H 1.69 0.02 2 900 92 92 LEU HD1 H 0.84 0.02 2 901 92 92 LEU HD2 H 0.83 0.02 2 902 92 92 LEU HG H 1.29 0.02 1 903 92 92 LEU CA C 57.4 0.2 1 904 92 92 LEU CB C 42.5 0.2 1 905 92 92 LEU CD1 C 22.8 0.2 2 906 92 92 LEU CD2 C 25.4 0.2 2 907 92 92 LEU CG C 26.7 0.2 1 908 92 92 LEU N N 118.0 0.2 1 909 93 93 ILE H H 8.21 0.02 1 910 93 93 ILE HA H 3.28 0.02 1 911 93 93 ILE HB H 1.59 0.02 1 912 93 93 ILE HD1 H 0.42 0.02 1 913 93 93 ILE HG12 H 0.58 0.02 2 914 93 93 ILE HG13 H 1.73 0.02 2 915 93 93 ILE HG2 H 0.45 0.02 1 916 93 93 ILE C C 177.8 0.2 1 917 93 93 ILE CA C 65.6 0.2 1 918 93 93 ILE CB C 38.4 0.2 1 919 93 93 ILE CD1 C 13.7 0.2 1 920 93 93 ILE CG1 C 29.6 0.2 1 921 93 93 ILE CG2 C 16.4 0.2 1 922 93 93 ILE N N 119.2 0.2 1 923 94 94 LEU H H 8.37 0.02 1 924 94 94 LEU HA H 3.79 0.02 1 925 94 94 LEU HB2 H 1.47 0.02 2 926 94 94 LEU HB3 H 1.71 0.02 2 927 94 94 LEU HD1 H 0.78 0.02 2 928 94 94 LEU HD2 H 0.68 0.02 2 929 94 94 LEU HG H 1.66 0.02 1 930 94 94 LEU C C 178.6 0.2 1 931 94 94 LEU CA C 58.1 0.2 1 932 94 94 LEU CB C 40.4 0.2 1 933 94 94 LEU CD1 C 25.7 0.2 2 934 94 94 LEU CD2 C 23.2 0.2 2 935 94 94 LEU CG C 27.2 0.2 1 936 94 94 LEU N N 118.0 0.2 1 937 95 95 ALA H H 7.76 0.02 1 938 95 95 ALA HA H 4.10 0.02 1 939 95 95 ALA HB H 1.46 0.02 1 940 95 95 ALA C C 181.3 0.2 1 941 95 95 ALA CA C 55.2 0.2 1 942 95 95 ALA CB C 18.2 0.2 1 943 95 95 ALA N N 119.2 0.2 1 944 96 96 GLU H H 7.46 0.02 1 945 96 96 GLU HA H 4.20 0.02 1 946 96 96 GLU HB2 H 1.84 0.02 2 947 96 96 GLU HB3 H 1.97 0.02 2 948 96 96 GLU HG2 H 2.09 0.02 2 949 96 96 GLU HG3 H 2.53 0.02 2 950 96 96 GLU CA C 57.6 0.2 1 951 96 96 GLU CB C 29.1 0.2 1 952 96 96 GLU CG C 35.1 0.2 1 953 96 96 GLU N N 115.5 0.2 1 954 97 97 LEU H H 8.22 0.02 1 955 97 97 LEU HA H 4.08 0.02 1 956 97 97 LEU HB2 H 1.10 0.02 2 957 97 97 LEU HB3 H 1.92 0.02 2 958 97 97 LEU HD1 H 0.21 0.02 1 959 97 97 LEU HD2 H 0.55 0.02 1 960 97 97 LEU HG H 1.75 0.02 1 961 97 97 LEU C C 178.3 0.2 1 962 97 97 LEU CA C 57.3 0.2 1 963 97 97 LEU CB C 41.1 0.2 1 964 97 97 LEU CD1 C 27.4 0.2 1 965 97 97 LEU CD2 C 22.3 0.2 1 966 97 97 LEU CG C 25.5 0.2 1 967 97 97 LEU N N 120.4 0.2 1 968 98 98 GLU H H 8.83 0.02 1 969 98 98 GLU HA H 3.94 0.02 1 970 98 98 GLU HB2 H 1.98 0.02 2 971 98 98 GLU HB3 H 2.09 0.02 2 972 98 98 GLU HG2 H 2.12 0.02 2 973 98 98 GLU HG3 H 2.45 0.02 2 974 98 98 GLU C C 180.3 0.2 1 975 98 98 GLU CA C 59.8 0.2 1 976 98 98 GLU CB C 29.4 0.2 1 977 98 98 GLU CG C 36.7 0.2 1 978 98 98 GLU N N 119.9 0.2 1 979 99 99 LYS H H 7.42 0.02 1 980 99 99 LYS HA H 3.94 0.02 1 981 99 99 LYS HB2 H 1.69 0.02 2 982 99 99 LYS HB3 H 1.90 0.02 2 983 99 99 LYS HD2 H 1.59 0.02 2 984 99 99 LYS HD3 H 1.69 0.02 2 985 99 99 LYS HE2 H 2.79 0.02 2 986 99 99 LYS HE3 H 2.84 0.02 2 987 99 99 LYS HG2 H 1.29 0.02 2 988 99 99 LYS HG3 H 1.64 0.02 2 989 99 99 LYS C C 179.1 0.2 1 990 99 99 LYS CA C 59.7 0.2 1 991 99 99 LYS CB C 32.8 0.2 1 992 99 99 LYS CD C 29.6 0.2 1 993 99 99 LYS CE C 42.1 0.2 1 994 99 99 LYS CG C 25.7 0.2 1 995 99 99 LYS N N 119.0 0.2 1 996 100 100 LEU H H 7.52 0.02 1 997 100 100 LEU HA H 3.96 0.02 1 998 100 100 LEU HB2 H 1.36 0.02 2 999 100 100 LEU HB3 H 2.36 0.02 2 1000 100 100 LEU HD1 H 0.85 0.02 1 1001 100 100 LEU HD2 H 0.91 0.02 1 1002 100 100 LEU HG H 1.79 0.02 1 1003 100 100 LEU C C 177.1 0.2 1 1004 100 100 LEU CA C 58.4 0.2 1 1005 100 100 LEU CB C 41.8 0.2 1 1006 100 100 LEU CD1 C 24.1 0.2 1 1007 100 100 LEU CD2 C 26.5 0.2 1 1008 100 100 LEU CG C 26.6 0.2 1 1009 100 100 LEU N N 120.3 0.2 1 1010 101 101 ASP H H 8.66 0.02 1 1011 101 101 ASP HA H 4.57 0.02 1 1012 101 101 ASP HB2 H 2.69 0.02 2 1013 101 101 ASP HB3 H 2.81 0.02 2 1014 101 101 ASP C C 180.5 0.2 1 1015 101 101 ASP CA C 57.5 0.2 1 1016 101 101 ASP CB C 40.4 0.2 1 1017 101 101 ASP N N 119.0 0.2 1 1018 102 102 ALA H H 7.90 0.02 1 1019 102 102 ALA HA H 4.18 0.02 1 1020 102 102 ALA HB H 1.45 0.02 1 1021 102 102 ALA C C 179.9 0.2 1 1022 102 102 ALA CA C 54.6 0.2 1 1023 102 102 ALA CB C 18.2 0.2 1 1024 102 102 ALA N N 121.2 0.2 1 1025 103 103 LEU H H 7.57 0.02 1 1026 103 103 LEU HA H 4.06 0.02 1 1027 103 103 LEU HB2 H 0.97 0.02 2 1028 103 103 LEU HB3 H 1.85 0.02 2 1029 103 103 LEU HD1 H 0.72 0.02 1 1030 103 103 LEU HD2 H 0.78 0.02 1 1031 103 103 LEU HG H 2.01 0.02 1 1032 103 103 LEU C C 178.2 0.2 1 1033 103 103 LEU CA C 56.9 0.2 1 1034 103 103 LEU CB C 41.6 0.2 1 1035 103 103 LEU CD1 C 26.5 0.2 1 1036 103 103 LEU CD2 C 22.8 0.2 1 1037 103 103 LEU CG C 26.2 0.2 1 1038 103 103 LEU N N 117.8 0.2 1 1039 104 104 PHE H H 7.61 0.02 1 1040 104 104 PHE HA H 4.48 0.02 1 1041 104 104 PHE HB2 H 3.17 0.02 2 1042 104 104 PHE HB3 H 3.51 0.02 2 1043 104 104 PHE HD1 H 7.42 0.02 3 1044 104 104 PHE HE1 H 6.99 0.02 3 1045 104 104 PHE HZ H 6.90 0.02 1 1046 104 104 PHE C C 176.4 0.2 1 1047 104 104 PHE CA C 58.1 0.2 1 1048 104 104 PHE CB C 39.1 0.2 1 1049 104 104 PHE CD1 C 132.2 0.2 3 1050 104 104 PHE CE1 C 130.2 0.2 3 1051 104 104 PHE CZ C 128.2 0.2 1 1052 104 104 PHE N N 116.3 0.2 1 1053 105 105 ALA H H 7.53 0.02 1 1054 105 105 ALA HA H 4.36 0.02 1 1055 105 105 ALA HB H 1.43 0.02 1 1056 105 105 ALA C C 177.9 0.2 1 1057 105 105 ALA CA C 53.1 0.2 1 1058 105 105 ALA CB C 19.4 0.2 1 1059 105 105 ALA N N 122.2 0.2 1 1060 106 106 ASP H H 8.23 0.02 1 1061 106 106 ASP HA H 4.56 0.02 1 1062 106 106 ASP C C 176.6 0.2 1 1063 106 106 ASP CA C 55.3 0.2 1 1064 106 106 ASP CB C 41.2 0.2 1 1065 106 106 ASP N N 119.9 0.2 1 1066 107 107 ASP H H 8.22 0.02 1 1067 107 107 ASP HA H 4.51 0.02 1 1068 107 107 ASP HB2 H 2.63 0.02 2 1069 107 107 ASP HB3 H 2.72 0.02 2 1070 107 107 ASP C C 176.8 0.2 1 1071 107 107 ASP CA C 55.0 0.2 1 1072 107 107 ASP CB C 41.3 0.2 1 1073 107 107 ASP N N 121.1 0.2 1 1074 108 108 ALA H H 8.30 0.02 1 1075 108 108 ALA HA H 4.26 0.02 1 1076 108 108 ALA HB H 1.40 0.02 1 1077 108 108 ALA C C 178.4 0.2 1 1078 108 108 ALA CA C 53.4 0.2 1 1079 108 108 ALA CB C 18.8 0.2 1 1080 108 108 ALA N N 124.0 0.2 1 1081 109 109 SER H H 8.19 0.02 1 1082 109 109 SER HA H 4.32 0.02 1 1083 109 109 SER HB2 H 3.87 0.02 2 1084 109 109 SER HB3 H 3.92 0.02 2 1085 109 109 SER CA C 59.2 0.2 1 1086 109 109 SER CB C 63.6 0.2 1 1087 109 109 SER N N 114.1 0.2 1 stop_ save_