data_15225 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C, and 15N resonance assignments of domain 2 of non-structural protein 5A (NS5A) of hepatitis C virus ; _BMRB_accession_number 15225 _BMRB_flat_file_name bmr15225.str _Entry_type original _Submission_date 2007-04-26 _Accession_date 2007-04-26 _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 Liang Yu . . 2 Ye Hong . . 3 Kang 'Cong Bao' . . 4 Yoon 'Ho Sup' . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 528 "13C chemical shifts" 385 "15N chemical shifts" 93 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-09-16 update author 'update chemical shifts' 2007-10-29 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title 'Domain 2 of Non-structural Protein 5A (NS5A) of Hepatitis C Virus is Natively Unfolded' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 17880107 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Liang Yu . . 2 Ye Hong . . 3 Kang 'Cong Bao' . . 4 Yoon 'Ho Sup' . . stop_ _Journal_abbreviation Biochemistry _Journal_name_full Biochemistry _Journal_volume 46 _Journal_issue 41 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 11550 _Page_last 11558 _Year 2007 _Details . loop_ _Keyword 'Hepatitis C Virus' 'Natively unfolded proteins' NMR NS5A 'NS5A domain 2' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Domain 2 of Non-structural Protein 5A (NS5AD2)' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Domain 2 of Non-structural Protein 5A (NS5AD2)' $Domain_2_of_Non-structural_Protein_5A_(NS5AD2) stop_ _System_molecular_weight 11856 _System_physical_state unfolded _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_Domain_2_of_Non-structural_Protein_5A_(NS5AD2) _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Domain_2_of_Non-structural_Protein_5A_(NS5AD2) _Molecular_mass . _Mol_thiol_state 'all free' loop_ _Biological_function 'resistance to IFN' 'viral replication' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 102 _Mol_residue_sequence ; KATCTANHDSPDAELIEANL LWRQEMGGNITRVESENKVV ILDSFDPLVAEEDEREVSVP AEILRKSRRFARALPVWARP DYNPPLVETWKKPDYEHHHH HH ; loop_ _Residue_seq_code _Residue_label 1 LYS 2 ALA 3 THR 4 CYS 5 THR 6 ALA 7 ASN 8 HIS 9 ASP 10 SER 11 PRO 12 ASP 13 ALA 14 GLU 15 LEU 16 ILE 17 GLU 18 ALA 19 ASN 20 LEU 21 LEU 22 TRP 23 ARG 24 GLN 25 GLU 26 MET 27 GLY 28 GLY 29 ASN 30 ILE 31 THR 32 ARG 33 VAL 34 GLU 35 SER 36 GLU 37 ASN 38 LYS 39 VAL 40 VAL 41 ILE 42 LEU 43 ASP 44 SER 45 PHE 46 ASP 47 PRO 48 LEU 49 VAL 50 ALA 51 GLU 52 GLU 53 ASP 54 GLU 55 ARG 56 GLU 57 VAL 58 SER 59 VAL 60 PRO 61 ALA 62 GLU 63 ILE 64 LEU 65 ARG 66 LYS 67 SER 68 ARG 69 ARG 70 PHE 71 ALA 72 ARG 73 ALA 74 LEU 75 PRO 76 VAL 77 TRP 78 ALA 79 ARG 80 PRO 81 ASP 82 TYR 83 ASN 84 PRO 85 PRO 86 LEU 87 VAL 88 GLU 89 THR 90 TRP 91 LYS 92 LYS 93 PRO 94 ASP 95 TYR 96 GLU 97 HIS 98 HIS 99 HIS 100 HIS 101 HIS 102 HIS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-06-13 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 EMBL CAJ20207 "non structural protein 5A, partial [Hepatitis C virus]" 61.76 114 98.41 100.00 1.16e-35 EMBL CAJ20220 "non structural protein 5A, partial [Hepatitis C virus]" 61.76 114 98.41 100.00 1.31e-35 GB AAA45534 "polyprotein [Hepatitis C virus subtype 1a]" 94.12 3011 97.92 97.92 1.39e-56 GB AAA45676 "polyprotein [Hepatitis C virus subtype 1a]" 94.12 3011 97.92 100.00 3.48e-58 GB AAA45677 "polyprotein, partial [Hepatitis C virus]" 94.12 2436 97.92 100.00 3.75e-58 GB AAB66324 "polyprotein [Hepatitis C virus subtype 1a]" 94.12 3011 100.00 100.00 3.53e-59 GB AAB67036 "polyprotein [Hepatitis C virus (isolate H77)]" 94.12 3011 100.00 100.00 3.53e-59 REF NP_671491 "polyprotein [Hepatitis C virus]" 94.12 3011 100.00 100.00 3.53e-59 REF NP_751927 "NS5A protein [Hepatitis C virus]" 94.12 448 100.00 100.00 9.80e-59 SP P26664 "RecName: Full=Genome polyprotein; Contains: RecName: Full=Core protein p21; AltName: Full=Capsid protein C; AltName: Full=p21; " 94.12 3011 97.92 100.00 3.48e-58 SP P27958 "RecName: Full=Genome polyprotein; Contains: RecName: Full=Core protein p21; AltName: Full=Capsid protein C; AltName: Full=p21; " 94.12 3011 97.92 97.92 1.39e-56 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 _Variant _Gene_mnemonic _Details $Domain_2_of_Non-structural_Protein_5A_(NS5AD2) 'hepatitis c virus' 11103 . Viruses flaviviridae "hepatitis c virus" 'Hepatitis C virus' 'genotype 1a' HCV 'Hepatitis c virus NS5A' 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 $Domain_2_of_Non-structural_Protein_5A_(NS5AD2) 'recombinant technology' . Escherichia coli . pET-Ub-NS5A-D2-His stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Domain_2_of_Non-structural_Protein_5A_(NS5AD2) 0.6 mM [U-15N] 'sodium phosphate' 20 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' DTT 1 mM 'natural abundance' 'sodium azide' 0.01 % 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Domain_2_of_Non-structural_Protein_5A_(NS5AD2) 0.6 mM '[U-13C; U-15N]' 'sodium phosphate' 20 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' DTT 1 mM 'natural abundance' 'sodium azide' 0.01 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version 1.3 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection processing stop_ _Details . save_ save_Felix _Saveframe_category software _Name FELIX _Version 2004 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 Bruker _Model Avance _Field_strength 700 _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_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_HNCA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_2 save_ save_3D_HN(CO)CA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_2 save_ save_3D_HNCO_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_2 save_ save_3D_HNHA_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHA' _Sample_label $sample_2 save_ save_3D_1H-15N_NOESY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_2 save_ save_3D_HCCH-TOCSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_2 save_ save_3D_H(CCO)NH_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_2 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' 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 . 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 $TOPSPIN $Felix stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCACB' '3D CBCA(CO)NH' '3D HNCA' '3D HN(CO)CA' '3D HNCO' '3D HNHA' '3D 1H-15N NOESY' '3D HCCH-TOCSY' '3D H(CCO)NH' 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 'Domain 2 of Non-structural Protein 5A (NS5AD2)' _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 ALA HA H 4.408 0.020 1 2 2 2 ALA HB H 1.350 0.020 1 3 2 2 ALA C C 176.901 0.300 1 4 2 2 ALA CA C 52.253 0.300 1 5 2 2 ALA CB C 18.699 0.300 1 6 3 3 THR H H 8.250 0.020 1 7 3 3 THR HA H 4.267 0.020 1 8 3 3 THR HB H 4.078 0.020 1 9 3 3 THR HG2 H 1.113 0.020 1 10 3 3 THR C C 173.519 0.300 1 11 3 3 THR CA C 61.714 0.300 1 12 3 3 THR CB C 69.369 0.300 1 13 3 3 THR CG2 C 20.964 0.300 1 14 3 3 THR N N 114.285 0.300 1 15 4 4 CYS H H 8.289 0.020 1 16 4 4 CYS HA H 4.325 0.020 1 17 4 4 CYS HB2 H 3.041 0.020 1 18 4 4 CYS HB3 H 2.971 0.020 1 19 4 4 CYS HG H 2.102 0.020 1 20 4 4 CYS C C 176.019 0.300 1 21 4 4 CYS CA C 55.525 0.300 1 22 4 4 CYS CB C 30.241 0.300 1 23 4 4 CYS N N 124.313 0.300 1 24 5 5 THR H H 8.008 0.020 1 25 5 5 THR HA H 4.128 0.020 1 26 5 5 THR HB H 4.109 0.020 1 27 5 5 THR HG2 H 1.128 0.020 1 28 5 5 THR C C 174.822 0.300 1 29 5 5 THR CA C 61.870 0.300 1 30 5 5 THR CB C 68.961 0.300 1 31 5 5 THR CG2 C 19.668 0.300 1 32 5 5 THR N N 114.816 0.300 1 33 6 6 ALA H H 8.270 0.020 1 34 6 6 ALA HA H 4.115 0.020 1 35 6 6 ALA HB H 1.273 0.020 1 36 6 6 ALA C C 176.529 0.300 1 37 6 6 ALA CA C 52.200 0.300 1 38 6 6 ALA CB C 18.729 0.300 1 39 6 6 ALA N N 126.372 0.300 1 40 7 7 ASN H H 8.287 0.020 1 41 7 7 ASN HA H 4.533 0.020 1 42 7 7 ASN HB2 H 2.743 0.020 1 43 7 7 ASN HB3 H 2.668 0.020 1 44 7 7 ASN HD21 H 7.432 0.020 1 45 7 7 ASN HD22 H 6.777 0.020 1 46 7 7 ASN C C 175.670 0.300 1 47 7 7 ASN CA C 52.501 0.300 1 48 7 7 ASN CB C 38.430 0.300 1 49 7 7 ASN N N 117.738 0.300 1 50 7 7 ASN ND2 N 111.962 0.300 1 51 8 8 HIS H H 8.148 0.020 1 52 8 8 HIS HA H 4.286 0.020 1 53 8 8 HIS HB2 H 3.155 0.020 1 54 8 8 HIS HB3 H 3.064 0.020 1 55 8 8 HIS C C 175.710 0.300 1 56 8 8 HIS CA C 56.459 0.300 1 57 8 8 HIS CB C 29.454 0.300 1 58 8 8 HIS N N 121.590 0.300 1 59 9 9 ASP H H 8.274 0.020 1 60 9 9 ASP HA H 4.472 0.020 1 61 9 9 ASP HB2 H 2.550 0.020 1 62 9 9 ASP HB3 H 2.550 0.020 1 63 9 9 ASP C C 175.239 0.300 1 64 9 9 ASP CA C 53.977 0.300 1 65 9 9 ASP CB C 40.874 0.300 1 66 9 9 ASP N N 121.258 0.300 1 67 10 10 SER H H 8.110 0.020 1 68 10 10 SER HA H 4.676 0.020 1 69 10 10 SER HB2 H 3.812 0.020 1 70 10 10 SER HB3 H 3.769 0.020 1 71 10 10 SER CA C 55.661 0.300 1 72 10 10 SER CB C 63.136 0.300 1 73 10 10 SER N N 116.477 0.300 1 74 11 11 PRO HA H 4.387 0.020 1 75 11 11 PRO HB2 H 2.219 0.020 1 76 11 11 PRO HB3 H 2.219 0.020 1 77 11 11 PRO HD2 H 3.676 0.020 1 78 11 11 PRO HD3 H 3.676 0.020 1 79 11 11 PRO HG2 H 1.916 0.020 1 80 11 11 PRO HG3 H 1.916 0.020 1 81 11 11 PRO C C 176.108 0.300 1 82 11 11 PRO CA C 63.277 0.300 1 83 11 11 PRO CB C 31.621 0.300 1 84 11 11 PRO CD C 50.223 0.300 1 85 11 11 PRO CG C 26.780 0.300 1 86 12 12 ASP H H 8.199 0.020 1 87 12 12 ASP HA H 4.462 0.020 1 88 12 12 ASP HB2 H 2.617 0.020 1 89 12 12 ASP HB3 H 2.494 0.020 1 90 12 12 ASP C C 175.047 0.300 1 91 12 12 ASP CA C 53.955 0.300 1 92 12 12 ASP CB C 40.555 0.300 1 93 12 12 ASP N N 119.465 0.300 1 94 13 13 ALA H H 7.945 0.020 1 95 13 13 ALA HA H 4.223 0.020 1 96 13 13 ALA HB H 1.312 0.020 1 97 13 13 ALA C C 177.014 0.300 1 98 13 13 ALA CA C 51.947 0.300 1 99 13 13 ALA CB C 19.145 0.300 1 100 13 13 ALA N N 123.649 0.300 1 101 14 14 GLU H H 8.297 0.020 1 102 14 14 GLU HA H 4.167 0.020 1 103 14 14 GLU HB2 H 1.950 0.020 1 104 14 14 GLU HB3 H 1.950 0.020 1 105 14 14 GLU HG2 H 2.200 0.020 1 106 14 14 GLU HG3 H 2.200 0.020 1 107 14 14 GLU C C 175.925 0.300 1 108 14 14 GLU CA C 56.329 0.300 1 109 14 14 GLU CB C 29.688 0.300 1 110 14 14 GLU CG C 33.067 0.300 1 111 14 14 GLU N N 120.395 0.300 1 112 15 15 LEU H H 8.007 0.020 1 113 15 15 LEU HA H 4.310 0.020 1 114 15 15 LEU HB2 H 1.503 0.020 1 115 15 15 LEU HB3 H 1.503 0.020 1 116 15 15 LEU HD1 H 0.789 0.020 1 117 15 15 LEU HD2 H 0.789 0.020 1 118 15 15 LEU HG H 1.284 0.020 1 119 15 15 LEU C C 176.059 0.300 1 120 15 15 LEU CA C 53.806 0.300 1 121 15 15 LEU CB C 40.814 0.300 1 122 15 15 LEU CD1 C 24.447 0.300 1 123 15 15 LEU CD2 C 24.447 0.300 1 124 15 15 LEU CG C 26.793 0.300 1 125 15 15 LEU N N 115.252 0.300 1 126 16 16 ILE H H 8.177 0.020 1 127 16 16 ILE HA H 4.310 0.020 1 128 16 16 ILE HB H 1.756 0.020 1 129 16 16 ILE HD1 H 0.814 0.020 1 130 16 16 ILE HG12 H 1.382 0.020 1 131 16 16 ILE HG13 H 1.382 0.020 1 132 16 16 ILE HG2 H 0.814 0.020 1 133 16 16 ILE C C 175.801 0.300 1 134 16 16 ILE CA C 61.558 0.300 1 135 16 16 ILE CB C 38.765 0.300 1 136 16 16 ILE CD1 C 12.676 0.300 1 137 16 16 ILE CG1 C 27.089 0.300 1 138 16 16 ILE CG2 C 17.120 0.300 1 139 16 16 ILE N N 120.793 0.300 1 140 17 17 GLU H H 8.414 0.020 1 141 17 17 GLU HA H 4.124 0.020 1 142 17 17 GLU HB2 H 1.845 0.020 1 143 17 17 GLU HB3 H 1.845 0.020 1 144 17 17 GLU HG2 H 2.187 0.020 1 145 17 17 GLU HG3 H 2.187 0.020 1 146 17 17 GLU C C 175.848 0.300 1 147 17 17 GLU CA C 56.585 0.300 1 148 17 17 GLU CB C 29.274 0.300 1 149 17 17 GLU CG C 35.950 0.300 1 150 17 17 GLU N N 124.512 0.300 1 151 18 18 ALA H H 8.210 0.020 1 152 18 18 ALA HA H 4.129 0.020 1 153 18 18 ALA HB H 1.310 0.020 1 154 18 18 ALA C C 177.122 0.300 1 155 18 18 ALA CA C 52.870 0.300 1 156 18 18 ALA CB C 18.661 0.300 1 157 18 18 ALA N N 124.51 0.300 1 158 19 19 ASN H H 8.241 0.020 1 159 19 19 ASN HA H 4.524 0.020 1 160 19 19 ASN HB2 H 2.723 0.020 1 161 19 19 ASN HB3 H 2.723 0.020 1 162 19 19 ASN HD21 H 7.423 0.020 1 163 19 19 ASN HD22 H 6.764 0.020 1 164 19 19 ASN C C 174.663 0.300 1 165 19 19 ASN CA C 52.817 0.300 1 166 19 19 ASN CB C 37.745 0.300 1 167 19 19 ASN N N 116.677 0.300 1 168 19 19 ASN ND2 N 113.147 0.300 1 169 20 20 LEU H H 8.009 0.020 1 170 20 20 LEU HA H 4.150 0.020 1 171 20 20 LEU HB2 H 1.562 0.020 1 172 20 20 LEU HB3 H 1.562 0.020 1 173 20 20 LEU HD1 H 0.788 0.020 1 174 20 20 LEU HD2 H 0.788 0.020 1 175 20 20 LEU HG H 1.328 0.020 1 176 20 20 LEU C C 176.722 0.300 1 177 20 20 LEU CA C 55.574 0.300 1 178 20 20 LEU CB C 41.712 0.300 1 179 20 20 LEU CD1 C 23.060 0.300 1 180 20 20 LEU CD2 C 23.060 0.300 1 181 20 20 LEU CG C 26.400 0.300 1 182 20 20 LEU N N 121.723 0.300 1 183 21 21 LEU H H 8.029 0.020 1 184 21 21 LEU HA H 4.079 0.020 1 185 21 21 LEU HB2 H 1.526 0.020 1 186 21 21 LEU HB3 H 1.526 0.020 1 187 21 21 LEU HD1 H 0.836 0.020 1 188 21 21 LEU HD2 H 0.836 0.020 1 189 21 21 LEU HG H 1.445 0.020 1 190 21 21 LEU C C 176.376 0.300 1 191 21 21 LEU CA C 57.343 0.300 1 192 21 21 LEU CB C 39.104 0.300 1 193 21 21 LEU CD1 C 26.525 0.300 1 194 21 21 LEU CD2 C 26.525 0.300 1 195 21 21 LEU CG C 28.308 0.300 1 196 21 21 LEU N N 119.598 0.300 1 197 22 22 TRP H H 7.828 0.020 1 198 22 22 TRP HA H 4.524 0.020 1 199 22 22 TRP HB2 H 3.215 0.020 1 200 22 22 TRP HB3 H 3.215 0.020 1 201 22 22 TRP HE1 H 10.213 0.020 1 202 22 22 TRP C C 176.856 0.300 1 203 22 22 TRP CA C 56.976 0.300 1 204 22 22 TRP CB C 28.782 0.300 1 205 22 22 TRP N N 120.262 0.300 1 206 22 22 TRP NE1 N 130.347 0.300 1 207 23 23 ARG H H 7.738 0.020 1 208 23 23 ARG HA H 4.028 0.020 1 209 23 23 ARG HB2 H 1.940 0.020 1 210 23 23 ARG HB3 H 1.940 0.020 1 211 23 23 ARG HD2 H 3.158 0.020 1 212 23 23 ARG HD3 H 3.158 0.020 1 213 23 23 ARG HG2 H 1.579 0.020 1 214 23 23 ARG HG3 H 1.558 0.020 1 215 23 23 ARG C C 176.058 0.300 1 216 23 23 ARG CA C 55.722 0.300 1 217 23 23 ARG CB C 30.321 0.300 1 218 23 23 ARG CD C 42.691 0.300 1 219 23 23 ARG CG C 25.714 0.300 1 220 23 23 ARG N N 121.457 0.300 1 221 24 24 GLN H H 8.450 0.020 1 222 24 24 GLN HA H 4.185 0.020 1 223 24 24 GLN HB2 H 1.942 0.020 1 224 24 24 GLN HB3 H 1.942 0.020 1 225 24 24 GLN HG2 H 2.254 0.020 1 226 24 24 GLN HG3 H 2.254 0.020 1 227 24 24 GLN C C 175.768 0.300 1 228 24 24 GLN CA C 56.439 0.300 1 229 24 24 GLN CB C 29.709 0.300 1 230 24 24 GLN CG C 35.768 0.300 1 231 24 24 GLN N N 121.299 0.300 1 232 25 25 GLU H H 8.381 0.020 1 233 25 25 GLU HA H 4.153 0.020 1 234 25 25 GLU HB2 H 2.023 0.020 1 235 25 25 GLU HB3 H 2.023 0.020 1 236 25 25 GLU HG2 H 2.187 0.020 1 237 25 25 GLU HG3 H 2.187 0.020 1 238 25 25 GLU C C 175.660 0.300 1 239 25 25 GLU CA C 56.291 0.300 1 240 25 25 GLU CB C 29.592 0.300 1 241 25 25 GLU CG C 35.848 0.300 1 242 25 25 GLU N N 121.192 0.300 1 243 26 26 MET H H 8.226 0.020 1 244 26 26 MET HA H 4.381 0.020 1 245 26 26 MET HB2 H 1.983 0.020 1 246 26 26 MET HB3 H 1.913 0.020 1 247 26 26 MET HE H 2.014 0.020 1 248 26 26 MET HG2 H 2.410 0.020 1 249 26 26 MET HG3 H 2.410 0.020 1 250 26 26 MET C C 176.339 0.300 1 251 26 26 MET CA C 55.375 0.300 1 252 26 26 MET CB C 32.034 0.300 1 253 26 26 MET CE C 20.138 0.300 1 254 26 26 MET CG C 32.068 0.300 1 255 26 26 MET N N 120.262 0.300 1 256 27 27 GLY H H 8.240 0.020 1 257 27 27 GLY HA2 H 3.888 0.020 1 258 27 27 GLY HA3 H 3.888 0.020 1 259 27 27 GLY C C 174.033 0.300 1 260 27 27 GLY CA C 45.025 0.300 1 261 27 27 GLY N N 109.304 0.300 1 262 28 28 GLY H H 8.174 0.020 1 263 28 28 GLY HA2 H 3.876 0.020 1 264 28 28 GLY HA3 H 3.876 0.020 1 265 28 28 GLY C C 176.346 0.300 1 266 28 28 GLY CA C 44.859 0.300 1 267 28 28 GLY N N 108.175 0.300 1 268 29 29 ASN H H 8.281 0.020 1 269 29 29 ASN HA H 4.448 0.020 1 270 29 29 ASN HB2 H 2.726 0.020 1 271 29 29 ASN HB3 H 2.646 0.020 1 272 29 29 ASN HD21 H 7.519 0.020 1 273 29 29 ASN HD22 H 6.840 0.020 1 274 29 29 ASN C C 174.767 0.300 1 275 29 29 ASN CA C 52.747 0.300 1 276 29 29 ASN CB C 38.371 0.300 1 277 29 29 ASN N N 118.535 0.300 1 278 29 29 ASN ND2 N 112.883 0.300 1 279 30 30 ILE H H 8.034 0.020 1 280 30 30 ILE HA H 4.100 0.020 1 281 30 30 ILE HB H 1.813 0.020 1 282 30 30 ILE HD1 H 0.809 0.020 1 283 30 30 ILE HG12 H 1.365 0.020 1 284 30 30 ILE HG13 H 1.365 0.020 1 285 30 30 ILE HG2 H 1.100 0.020 1 286 30 30 ILE C C 175.786 0.300 1 287 30 30 ILE CA C 60.589 0.300 1 288 30 30 ILE CB C 38.165 0.300 1 289 30 30 ILE CD1 C 12.372 0.300 1 290 30 30 ILE CG1 C 26.739 0.300 1 291 30 30 ILE CG2 C 16.979 0.300 1 292 30 30 ILE N N 120.527 0.300 1 293 31 31 THR H H 8.220 0.020 1 294 31 31 THR HA H 4.261 0.020 1 295 31 31 THR HB H 4.140 0.020 1 296 31 31 THR HG2 H 1.251 0.020 1 297 31 31 THR C C 174.796 0.300 1 298 31 31 THR CA C 61.524 0.300 1 299 31 31 THR CB C 69.380 0.300 1 300 31 31 THR CG2 C 19.668 0.300 1 301 31 31 THR N N 118.801 0.300 1 302 32 32 ARG H H 8.289 0.020 1 303 32 32 ARG HA H 4.325 0.020 1 304 32 32 ARG HB2 H 1.688 0.020 1 305 32 32 ARG HB3 H 1.688 0.020 1 306 32 32 ARG HD2 H 3.080 0.020 1 307 32 32 ARG HD3 H 3.080 0.020 1 308 32 32 ARG HG2 H 1.489 0.020 1 309 32 32 ARG HG3 H 1.489 0.020 1 310 32 32 ARG C C 175.125 0.300 1 311 32 32 ARG CA C 55.525 0.300 1 312 32 32 ARG CB C 30.241 0.300 1 313 32 32 ARG CD C 42.967 0.300 1 314 32 32 ARG CG C 26.580 0.300 1 315 32 32 ARG N N 124.313 0.300 1 316 33 33 VAL H H 8.194 0.020 1 317 33 33 VAL HA H 4.003 0.020 1 318 33 33 VAL HB H 1.756 0.020 1 319 33 33 VAL HG1 H 0.814 0.020 1 320 33 33 VAL HG2 H 0.814 0.020 1 321 33 33 VAL C C 175.290 0.300 1 322 33 33 VAL CA C 61.936 0.300 1 323 33 33 VAL CB C 32.265 0.300 1 324 33 33 VAL CG1 C 20.194 0.300 1 325 33 33 VAL CG2 C 20.194 0.300 1 326 33 33 VAL N N 122.124 0.300 1 327 34 34 GLU H H 8.444 0.020 1 328 34 34 GLU HA H 4.106 0.020 1 329 34 34 GLU HB2 H 2.191 0.020 1 330 34 34 GLU HB3 H 2.191 0.020 1 331 34 34 GLU HG2 H 2.532 0.020 1 332 34 34 GLU HG3 H 2.532 0.020 1 333 34 34 GLU C C 175.992 0.300 1 334 34 34 GLU CA C 55.897 0.300 1 335 34 34 GLU CB C 29.433 0.300 1 336 34 34 GLU CG C 35.567 0.300 1 337 34 34 GLU N N 124.512 0.300 1 338 35 35 SER H H 8.263 0.020 1 339 35 35 SER HA H 4.588 0.020 1 340 35 35 SER HB2 H 3.799 0.020 1 341 35 35 SER HB3 H 3.799 0.020 1 342 35 35 SER C C 176.206 0.300 1 343 35 35 SER CA C 58.181 0.300 1 344 35 35 SER CB C 63.186 0.300 1 345 35 35 SER N N 116.420 0.300 1 346 36 36 GLU H H 8.391 0.020 1 347 36 36 GLU HA H 4.188 0.020 1 348 36 36 GLU HB2 H 1.942 0.020 1 349 36 36 GLU HB3 H 1.942 0.020 1 350 36 36 GLU HG2 H 2.177 0.020 1 351 36 36 GLU HG3 H 2.177 0.020 1 352 36 36 GLU C C 175.395 0.300 1 353 36 36 GLU CA C 56.472 0.300 1 354 36 36 GLU CB C 29.542 0.300 1 355 36 36 GLU CG C 35.849 0.300 1 356 36 36 GLU N N 122.254 0.300 1 357 37 37 ASN H H 8.332 0.020 1 358 37 37 ASN HA H 4.409 0.020 1 359 37 37 ASN HB2 H 2.748 0.020 1 360 37 37 ASN HB3 H 2.748 0.020 1 361 37 37 ASN HD21 H 7.532 0.020 1 362 37 37 ASN HD22 H 6.855 0.020 1 363 37 37 ASN C C 175.262 0.300 1 364 37 37 ASN CA C 52.452 0.300 1 365 37 37 ASN CB C 38.108 0.300 1 366 37 37 ASN N N 119.357 0.300 1 367 37 37 ASN ND2 N 112.883 0.300 1 368 38 38 LYS H H 8.133 0.020 1 369 38 38 LYS HA H 4.249 0.020 1 370 38 38 LYS HB2 H 1.719 0.020 1 371 38 38 LYS HB3 H 1.719 0.020 1 372 38 38 LYS HD2 H 1.627 0.020 1 373 38 38 LYS HD3 H 1.627 0.020 1 374 38 38 LYS HE2 H 2.907 0.020 1 375 38 38 LYS HE3 H 2.907 0.020 1 376 38 38 LYS HG2 H 1.308 0.020 1 377 38 38 LYS HG3 H 1.308 0.020 1 378 38 38 LYS C C 175.461 0.300 1 379 38 38 LYS CA C 55.750 0.300 1 380 38 38 LYS CB C 32.377 0.300 1 381 38 38 LYS CD C 28.225 0.300 1 382 38 38 LYS CE C 42.404 0.300 1 383 38 38 LYS CG C 23.856 0.300 1 384 38 38 LYS N N 121.855 0.300 1 385 39 39 VAL H H 8.089 0.020 1 386 39 39 VAL HA H 4.024 0.020 1 387 39 39 VAL HB H 1.730 0.020 1 388 39 39 VAL HG1 H 0.813 0.020 1 389 39 39 VAL HG2 H 0.813 0.020 1 390 39 39 VAL C C 175.249 0.300 1 391 39 39 VAL CA C 61.840 0.300 1 392 39 39 VAL CB C 32.002 0.300 1 393 39 39 VAL CG1 C 20.070 0.300 1 394 39 39 VAL CG2 C 20.070 0.300 1 395 39 39 VAL N N 122.121 0.300 1 396 40 40 VAL H H 8.219 0.020 1 397 40 40 VAL HA H 4.018 0.020 1 398 40 40 VAL HB H 1.904 0.020 1 399 40 40 VAL HG1 H 0.787 0.020 1 400 40 40 VAL HG2 H 0.796 0.020 1 401 40 40 VAL C C 176.149 0.300 1 402 40 40 VAL CA C 62.379 0.300 1 403 40 40 VAL CB C 30.294 0.300 1 404 40 40 VAL CG1 C 19.436 0.300 1 405 40 40 VAL CG2 C 19.436 0.300 1 406 40 40 VAL N N 125.575 0.300 1 407 41 41 ILE H H 8.274 0.020 1 408 41 41 ILE HA H 4.115 0.020 1 409 41 41 ILE HB H 1.773 0.020 1 410 41 41 ILE HD1 H 0.789 0.020 1 411 41 41 ILE HG12 H 1.378 0.020 1 412 41 41 ILE HG13 H 1.126 0.020 1 413 41 41 ILE HG2 H 0.808 0.020 1 414 41 41 ILE C C 175.262 0.300 1 415 41 41 ILE CA C 60.093 0.300 1 416 41 41 ILE CB C 37.716 0.300 1 417 41 41 ILE CD1 C 11.647 0.300 1 418 41 41 ILE CG1 C 27.045 0.300 1 419 41 41 ILE CG2 C 16.512 0.300 1 420 41 41 ILE N N 126.370 0.300 1 421 42 42 LEU H H 8.329 0.020 1 422 42 42 LEU HA H 4.338 0.020 1 423 42 42 LEU HB2 H 1.531 0.020 1 424 42 42 LEU HB3 H 1.531 0.020 1 425 42 42 LEU HD1 H 0.808 0.020 1 426 42 42 LEU HD2 H 0.809 0.020 1 427 42 42 LEU HG H 1.316 0.020 1 428 42 42 LEU C C 176.324 0.300 1 429 42 42 LEU CA C 54.262 0.300 1 430 42 42 LEU CB C 42.217 0.300 1 431 42 42 LEU CD1 C 22.548 0.300 1 432 42 42 LEU CD2 C 22.548 0.300 1 433 42 42 LEU CG C 26.374 0.300 1 434 42 42 LEU N N 127.434 0.300 1 435 43 43 ASP H H 8.241 0.020 1 436 43 43 ASP HA H 4.468 0.020 1 437 43 43 ASP HB2 H 2.532 0.020 1 438 43 43 ASP HB3 H 2.532 0.020 1 439 43 43 ASP C C 175.344 0.300 1 440 43 43 ASP CA C 53.862 0.300 1 441 43 43 ASP CB C 40.564 0.300 1 442 43 43 ASP N N 121.536 0.300 1 443 44 44 SER H H 8.025 0.020 1 444 44 44 SER HA H 4.302 0.020 1 445 44 44 SER HB2 H 3.751 0.020 1 446 44 44 SER HB3 H 3.751 0.020 1 447 44 44 SER C C 172.368 0.300 1 448 44 44 SER CA C 57.581 0.300 1 449 44 44 SER CB C 63.402 0.300 1 450 44 44 SER N N 115.215 0.300 1 451 45 45 PHE H H 8.131 0.020 1 452 45 45 PHE HA H 4.531 0.020 1 453 45 45 PHE HB2 H 2.817 0.020 1 454 45 45 PHE HB3 H 2.817 0.020 1 455 45 45 PHE C C 173.602 0.300 1 456 45 45 PHE CA C 57.550 0.300 1 457 45 45 PHE CB C 38.535 0.300 1 458 45 45 PHE N N 122.050 0.300 1 459 46 46 ASP H H 8.097 0.020 1 460 46 46 ASP HA H 4.823 0.020 1 461 46 46 ASP HB2 H 2.612 0.020 1 462 46 46 ASP HB3 H 2.612 0.020 1 463 46 46 ASP CA C 50.541 0.300 1 464 46 46 ASP CB C 40.994 0.300 1 465 46 46 ASP N N 123.779 0.300 1 466 47 47 PRO HA H 4.255 0.020 1 467 47 47 PRO HB2 H 2.476 0.020 1 468 47 47 PRO HB3 H 2.476 0.020 1 469 47 47 PRO HD2 H 3.441 0.020 1 470 47 47 PRO HD3 H 3.441 0.020 1 471 47 47 PRO HG2 H 1.878 0.020 1 472 47 47 PRO HG3 H 1.878 0.020 1 473 47 47 PRO C C 176.324 0.300 1 474 47 47 PRO CA C 63.052 0.300 1 475 47 47 PRO CB C 31.719 0.300 1 476 47 47 PRO CD C 53.008 0.300 1 477 47 47 PRO CG C 26.497 0.300 1 478 48 48 LEU H H 8.256 0.020 1 479 48 48 LEU HA H 4.202 0.020 1 480 48 48 LEU HB2 H 2.005 0.020 1 481 48 48 LEU HB3 H 2.005 0.020 1 482 48 48 LEU HD1 H 0.814 0.020 1 483 48 48 LEU HD2 H 0.814 0.020 1 484 48 48 LEU HG H 1.533 0.020 1 485 48 48 LEU C C 176.754 0.300 1 486 48 48 LEU CA C 55.363 0.300 1 487 48 48 LEU CB C 41.138 0.300 1 488 48 48 LEU CD1 C 23.972 0.300 1 489 48 48 LEU CD2 C 23.972 0.300 1 490 48 48 LEU CG C 26.264 0.300 1 491 48 48 LEU N N 120.727 0.300 1 492 49 49 VAL H H 7.963 0.020 1 493 49 49 VAL HA H 3.944 0.020 1 494 49 49 VAL HB H 1.990 0.020 1 495 49 49 VAL HG1 H 0.843 0.020 1 496 49 49 VAL HG2 H 0.843 0.020 1 497 49 49 VAL C C 174.979 0.300 1 498 49 49 VAL CA C 61.803 0.300 1 499 49 49 VAL CB C 32.298 0.300 1 500 49 49 VAL CG1 C 19.618 0.300 1 501 49 49 VAL CG2 C 19.618 0.300 1 502 49 49 VAL N N 120.992 0.300 1 503 50 50 ALA H H 8.164 0.020 1 504 50 50 ALA HA H 4.253 0.020 1 505 50 50 ALA HB H 1.283 0.020 1 506 50 50 ALA C C 176.779 0.300 1 507 50 50 ALA CA C 51.994 0.300 1 508 50 50 ALA CB C 18.656 0.300 1 509 50 50 ALA N N 127.442 0.300 1 510 51 51 GLU H H 7.684 0.020 1 511 51 51 GLU HA H 4.359 0.020 1 512 51 51 GLU HB2 H 2.187 0.020 1 513 51 51 GLU HB3 H 2.187 0.020 1 514 51 51 GLU HG2 H 2.187 0.020 1 515 51 51 GLU HG3 H 2.187 0.020 1 516 51 51 GLU C C 175.572 0.300 1 517 51 51 GLU CA C 53.960 0.300 1 518 51 51 GLU CB C 29.419 0.300 1 519 51 51 GLU CG C 35.658 0.300 1 520 51 51 GLU N N 120.353 0.300 1 521 52 52 GLU H H 8.274 0.020 1 522 52 52 GLU HA H 4.511 0.020 1 523 52 52 GLU HB2 H 2.110 0.020 1 524 52 52 GLU HB3 H 2.110 0.020 1 525 52 52 GLU HG2 H 2.189 0.020 1 526 52 52 GLU HG3 H 2.189 0.020 1 527 52 52 GLU C C 174.199 0.300 1 528 52 52 GLU CA C 57.023 0.300 1 529 52 52 GLU CB C 29.796 0.300 1 530 52 52 GLU CG C 35.554 0.300 1 531 52 52 GLU N N 121.192 0.300 1 532 53 53 ASP H H 8.239 0.020 1 533 53 53 ASP HA H 4.233 0.020 1 534 53 53 ASP HB2 H 2.566 0.020 1 535 53 53 ASP HB3 H 2.645 0.020 1 536 53 53 ASP C C 175.660 0.300 1 537 53 53 ASP CA C 53.835 0.300 1 538 53 53 ASP CB C 40.970 0.300 1 539 53 53 ASP N N 121.189 0.300 1 540 54 54 GLU H H 8.303 0.020 1 541 54 54 GLU HA H 4.188 0.020 1 542 54 54 GLU HB2 H 1.960 0.020 1 543 54 54 GLU HB3 H 1.960 0.020 1 544 54 54 GLU HG2 H 2.222 0.020 1 545 54 54 GLU HG3 H 2.222 0.020 1 546 54 54 GLU C C 175.732 0.300 1 547 54 54 GLU CA C 56.169 0.300 1 548 54 54 GLU CB C 29.419 0.300 1 549 54 54 GLU CG C 36.274 0.300 1 550 54 54 GLU N N 121.606 0.300 1 551 55 55 ARG H H 8.380 0.020 1 552 55 55 ARG HA H 4.178 0.020 1 553 55 55 ARG HB2 H 1.660 0.020 1 554 55 55 ARG HB3 H 1.527 0.020 1 555 55 55 ARG HD2 H 3.019 0.020 1 556 55 55 ARG HD3 H 3.019 0.020 1 557 55 55 ARG HG2 H 1.324 0.020 1 558 55 55 ARG HG3 H 1.324 0.020 1 559 55 55 ARG C C 175.074 0.300 1 560 55 55 ARG CA C 56.573 0.300 1 561 55 55 ARG CB C 29.865 0.300 1 562 55 55 ARG CD C 42.543 0.300 1 563 55 55 ARG CG C 26.271 0.300 1 564 55 55 ARG N N 121.257 0.300 1 565 56 56 GLU H H 8.107 0.020 1 566 56 56 GLU HA H 4.085 0.020 1 567 56 56 GLU HB2 H 2.187 0.020 1 568 56 56 GLU HB3 H 2.187 0.020 1 569 56 56 GLU HG2 H 2.253 0.020 1 570 56 56 GLU HG3 H 2.253 0.020 1 571 56 56 GLU C C 175.789 0.300 1 572 56 56 GLU CA C 55.727 0.300 1 573 56 56 GLU CB C 29.342 0.300 1 574 56 56 GLU CG C 35.567 0.300 1 575 56 56 GLU N N 120.527 0.300 1 576 57 57 VAL H H 8.173 0.020 1 577 57 57 VAL HA H 4.106 0.020 1 578 57 57 VAL HB H 2.177 0.020 1 579 57 57 VAL HG1 H 0.871 0.020 1 580 57 57 VAL HG2 H 0.871 0.020 1 581 57 57 VAL C C 175.519 0.300 1 582 57 57 VAL CA C 62.560 0.300 1 583 57 57 VAL CB C 32.152 0.300 1 584 57 57 VAL CG1 C 21.708 0.300 1 585 57 57 VAL CG2 C 21.708 0.300 1 586 57 57 VAL N N 121.326 0.300 1 587 58 58 SER H H 8.314 0.020 1 588 58 58 SER HA H 4.445 0.020 1 589 58 58 SER HB2 H 4.160 0.020 1 590 58 58 SER HB3 H 3.760 0.020 1 591 58 58 SER C C 173.536 0.300 1 592 58 58 SER CA C 57.658 0.300 1 593 58 58 SER CB C 63.137 0.300 1 594 58 58 SER N N 119.332 0.300 1 595 59 59 VAL H H 8.053 0.020 1 596 59 59 VAL HA H 4.329 0.020 1 597 59 59 VAL HB H 1.983 0.020 1 598 59 59 VAL HG1 H 0.850 0.020 1 599 59 59 VAL HG2 H 0.850 0.020 1 600 59 59 VAL CA C 60.043 0.300 1 601 59 59 VAL CB C 32.153 0.300 1 602 59 59 VAL CG1 C 20.332 0.300 1 603 59 59 VAL CG2 C 20.332 0.300 1 604 59 59 VAL N N 123.051 0.300 1 605 60 60 PRO HA H 4.258 0.020 1 606 60 60 PRO HB2 H 2.286 0.020 1 607 60 60 PRO HB3 H 2.286 0.020 1 608 60 60 PRO HD2 H 3.695 0.020 1 609 60 60 PRO HD3 H 3.586 0.020 1 610 60 60 PRO HG2 H 1.940 0.020 1 611 60 60 PRO HG3 H 1.849 0.020 1 612 60 60 PRO C C 176.703 0.300 1 613 60 60 PRO CA C 63.585 0.300 1 614 60 60 PRO CB C 31.714 0.300 1 615 60 60 PRO CD C 51.152 0.300 1 616 60 60 PRO CG C 26.743 0.300 1 617 61 61 ALA H H 8.367 0.020 1 618 61 61 ALA HA H 4.055 0.020 1 619 61 61 ALA HB H 1.370 0.020 1 620 61 61 ALA C C 178.332 0.300 1 621 61 61 ALA CA C 53.893 0.300 1 622 61 61 ALA CB C 18.480 0.300 1 623 61 61 ALA N N 123.649 0.300 1 624 62 62 GLU H H 8.486 0.020 1 625 62 62 GLU HA H 4.080 0.020 1 626 62 62 GLU HB2 H 2.187 0.020 1 627 62 62 GLU HB3 H 2.187 0.020 1 628 62 62 GLU HG2 H 2.183 0.020 1 629 62 62 GLU HG3 H 2.183 0.020 1 630 62 62 GLU C C 176.390 0.300 1 631 62 62 GLU CA C 57.378 0.300 1 632 62 62 GLU CB C 29.160 0.300 1 633 62 62 GLU CG C 35.859 0.300 1 634 62 62 GLU N N 118.004 0.300 1 635 63 63 ILE H H 8.179 0.020 1 636 63 63 ILE HA H 4.040 0.020 1 637 63 63 ILE HB H 1.873 0.020 1 638 63 63 ILE HD1 H 0.764 0.020 1 639 63 63 ILE HG12 H 1.294 0.020 1 640 63 63 ILE HG13 H 1.257 0.020 1 641 63 63 ILE HG2 H 0.810 0.020 1 642 63 63 ILE C C 177.520 0.300 1 643 63 63 ILE CA C 61.177 0.300 1 644 63 63 ILE CB C 38.257 0.300 1 645 63 63 ILE CD1 C 12.125 0.300 1 646 63 63 ILE CG1 C 26.502 0.300 1 647 63 63 ILE CG2 C 17.083 0.300 1 648 63 63 ILE N N 120.793 0.300 1 649 64 64 LEU H H 7.861 0.020 1 650 64 64 LEU HA H 4.128 0.020 1 651 64 64 LEU HB2 H 1.624 0.020 1 652 64 64 LEU HB3 H 1.515 0.020 1 653 64 64 LEU HD1 H 0.810 0.020 1 654 64 64 LEU HD2 H 0.810 0.020 1 655 64 64 LEU HG H 1.499 0.020 1 656 64 64 LEU C C 176.778 0.300 1 657 64 64 LEU CA C 54.622 0.300 1 658 64 64 LEU CB C 40.758 0.300 1 659 64 64 LEU CD1 C 23.123 0.300 1 660 64 64 LEU CD2 C 23.123 0.300 1 661 64 64 LEU CG C 26.375 0.300 1 662 64 64 LEU N N 123.162 0.300 1 663 65 65 ARG H H 7.828 0.020 1 664 65 65 ARG HA H 4.524 0.020 1 665 65 65 ARG HB2 H 1.569 0.020 1 666 65 65 ARG HB3 H 1.569 0.020 1 667 65 65 ARG HD2 H 3.005 0.020 1 668 65 65 ARG HD3 H 3.227 0.020 1 669 65 65 ARG HG2 H 1.345 0.020 1 670 65 65 ARG HG3 H 1.345 0.020 1 671 65 65 ARG C C 176.555 0.300 1 672 65 65 ARG CA C 57.318 0.300 1 673 65 65 ARG CB C 28.781 0.300 1 674 65 65 ARG CD C 42.734 0.300 1 675 65 65 ARG CG C 26.788 0.300 1 676 65 65 ARG N N 120.262 0.300 1 677 66 66 LYS H H 7.968 0.020 1 678 66 66 LYS HA H 4.337 0.020 1 679 66 66 LYS HB2 H 1.783 0.020 1 680 66 66 LYS HB3 H 1.783 0.020 1 681 66 66 LYS HD2 H 1.601 0.020 1 682 66 66 LYS HD3 H 1.601 0.020 1 683 66 66 LYS HE2 H 2.900 0.020 1 684 66 66 LYS HE3 H 2.900 0.020 1 685 66 66 LYS HG2 H 1.445 0.020 1 686 66 66 LYS HG3 H 1.445 0.020 1 687 66 66 LYS C C 174.067 0.300 1 688 66 66 LYS CA C 55.995 0.300 1 689 66 66 LYS CB C 32.342 0.300 1 690 66 66 LYS CD C 28.321 0.300 1 691 66 66 LYS CE C 42.625 0.300 1 692 66 66 LYS CG C 23.960 0.300 1 693 66 66 LYS N N 120.129 0.300 1 694 67 67 SER H H 8.039 0.020 1 695 67 67 SER HA H 4.310 0.020 1 696 67 67 SER HB2 H 3.818 0.020 1 697 67 67 SER HB3 H 3.818 0.020 1 698 67 67 SER C C 172.921 0.300 1 699 67 67 SER CA C 57.686 0.300 1 700 67 67 SER CB C 63.323 0.300 1 701 67 67 SER N N 115.280 0.300 1 702 68 68 ARG H H 7.890 0.020 1 703 68 68 ARG HA H 4.054 0.020 1 704 68 68 ARG HB2 H 1.968 0.020 1 705 68 68 ARG HB3 H 1.968 0.020 1 706 68 68 ARG HD2 H 3.048 0.020 1 707 68 68 ARG HD3 H 3.048 0.020 1 708 68 68 ARG HG2 H 1.785 0.020 1 709 68 68 ARG HG3 H 1.785 0.020 1 710 68 68 ARG C C 176.064 0.300 1 711 68 68 ARG CA C 57.245 0.300 1 712 68 68 ARG CB C 30.134 0.300 1 713 68 68 ARG CD C 43.883 0.300 1 714 68 68 ARG CG C 28.998 0.300 1 715 68 68 ARG N N 127.434 0.300 1 716 69 69 ARG H H 8.382 0.020 1 717 69 69 ARG HA H 4.223 0.020 1 718 69 69 ARG HB2 H 1.751 0.020 1 719 69 69 ARG HB3 H 1.751 0.020 1 720 69 69 ARG HD2 H 3.007 0.020 1 721 69 69 ARG HD3 H 3.007 0.020 1 722 69 69 ARG HG2 H 1.300 0.020 1 723 69 69 ARG HG3 H 1.300 0.020 1 724 69 69 ARG C C 177.622 0.300 1 725 69 69 ARG CA C 56.282 0.300 1 726 69 69 ARG CB C 29.482 0.300 1 727 69 69 ARG CD C 42.671 0.300 1 728 69 69 ARG CG C 26.462 0.300 1 729 69 69 ARG N N 121.192 0.300 1 730 70 70 PHE H H 8.028 0.020 1 731 70 70 PHE HA H 4.079 0.020 1 732 70 70 PHE HB2 H 3.110 0.020 1 733 70 70 PHE HB3 H 2.888 0.020 1 734 70 70 PHE C C 174.875 0.300 1 735 70 70 PHE CA C 57.188 0.300 1 736 70 70 PHE CB C 39.105 0.300 1 737 70 70 PHE N N 119.664 0.300 1 738 71 71 ALA H H 8.058 0.020 1 739 71 71 ALA HA H 4.202 0.020 1 740 71 71 ALA HB H 1.278 0.020 1 741 71 71 ALA C C 175.701 0.300 1 742 71 71 ALA CA C 52.212 0.300 1 743 71 71 ALA CB C 18.912 0.300 1 744 71 71 ALA N N 124.778 0.300 1 745 72 72 ARG H H 7.876 0.020 1 746 72 72 ARG HA H 4.262 0.020 1 747 72 72 ARG HB2 H 1.752 0.020 1 748 72 72 ARG HB3 H 1.752 0.020 1 749 72 72 ARG HD2 H 3.063 0.020 1 750 72 72 ARG HD3 H 3.063 0.020 1 751 72 72 ARG HG2 H 1.627 0.020 1 752 72 72 ARG HG3 H 1.563 0.020 1 753 72 72 ARG C C 174.962 0.300 1 754 72 72 ARG CA C 53.954 0.300 1 755 72 72 ARG CB C 30.464 0.300 1 756 72 72 ARG CD C 41.363 0.300 1 757 72 72 ARG CG C 26.487 0.300 1 758 72 72 ARG N N 118.668 0.300 1 759 73 73 ALA H H 8.119 0.020 1 760 73 73 ALA HA H 4.778 0.020 1 761 73 73 ALA HB H 1.253 0.020 1 762 73 73 ALA C C 176.568 0.300 1 763 73 73 ALA CA C 51.435 0.300 1 764 73 73 ALA CB C 18.634 0.300 1 765 73 73 ALA N N 124.641 0.300 1 766 74 74 LEU H H 8.002 0.020 1 767 74 74 LEU HA H 4.383 0.020 1 768 74 74 LEU HB2 H 1.507 0.020 1 769 74 74 LEU HB3 H 1.507 0.020 1 770 74 74 LEU HD1 H 0.734 0.020 1 771 74 74 LEU HD2 H 0.734 0.020 1 772 74 74 LEU HG H 1.400 0.020 1 773 74 74 LEU CA C 52.149 0.300 1 774 74 74 LEU CB C 41.625 0.300 1 775 74 74 LEU CD1 C 23.776 0.300 1 776 74 74 LEU CD2 C 23.776 0.300 1 777 74 74 LEU CG C 26.545 0.300 1 778 74 74 LEU N N 122.719 0.300 1 779 75 75 PRO HA H 4.405 0.020 1 780 75 75 PRO HB2 H 2.218 0.020 1 781 75 75 PRO HB3 H 2.218 0.020 1 782 75 75 PRO HD2 H 3.688 0.020 1 783 75 75 PRO HD3 H 3.688 0.020 1 784 75 75 PRO HG2 H 1.911 0.020 1 785 75 75 PRO HG3 H 1.911 0.020 1 786 75 75 PRO C C 176.839 0.300 1 787 75 75 PRO CA C 62.287 0.300 1 788 75 75 PRO CB C 31.378 0.300 1 789 75 75 PRO CD C 50.171 0.300 1 790 75 75 PRO CG C 26.605 0.300 1 791 76 76 VAL H H 8.112 0.020 1 792 76 76 VAL HA H 3.681 0.020 1 793 76 76 VAL HB H 1.919 0.020 1 794 76 76 VAL HG1 H 0.842 0.020 1 795 76 76 VAL HG2 H 0.842 0.020 1 796 76 76 VAL C C 175.414 0.300 1 797 76 76 VAL CA C 63.346 0.300 1 798 76 76 VAL CB C 31.033 0.300 1 799 76 76 VAL CG1 C 19.564 0.300 1 800 76 76 VAL CG2 C 19.564 0.300 1 801 76 76 VAL N N 119.199 0.300 1 802 77 77 TRP H H 7.135 0.020 1 803 77 77 TRP HA H 4.237 0.020 1 804 77 77 TRP HB2 H 3.209 0.020 1 805 77 77 TRP HB3 H 3.048 0.020 1 806 77 77 TRP HE1 H 10.105 0.020 1 807 77 77 TRP C C 175.147 0.300 1 808 77 77 TRP CA C 55.771 0.300 1 809 77 77 TRP CB C 28.399 0.300 1 810 77 77 TRP N N 118.602 0.300 1 811 77 77 TRP NE1 N 129.592 0.300 1 812 78 78 ALA H H 7.498 0.020 1 813 78 78 ALA HA H 4.244 0.020 1 814 78 78 ALA HB H 1.307 0.020 1 815 78 78 ALA C C 176.482 0.300 1 816 78 78 ALA CA C 51.171 0.300 1 817 78 78 ALA CB C 18.843 0.300 1 818 78 78 ALA N N 124.645 0.300 1 819 79 79 ARG H H 8.241 0.020 1 820 79 79 ARG HA H 4.477 0.020 1 821 79 79 ARG HB2 H 1.788 0.020 1 822 79 79 ARG HB3 H 1.780 0.020 1 823 79 79 ARG HD2 H 2.887 0.020 1 824 79 79 ARG HD3 H 2.887 0.020 1 825 79 79 ARG HG2 H 1.584 0.020 1 826 79 79 ARG HG3 H 1.584 0.020 1 827 79 79 ARG CA C 54.016 0.300 1 828 79 79 ARG CB C 29.073 0.300 1 829 79 79 ARG CD C 41.815 0.300 1 830 79 79 ARG CG C 28.756 0.300 1 831 79 79 ARG N N 121.657 0.300 1 832 80 80 PRO HA H 4.287 0.020 1 833 80 80 PRO HB2 H 2.161 0.020 1 834 80 80 PRO HB3 H 2.161 0.020 1 835 80 80 PRO HD2 H 3.847 0.020 1 836 80 80 PRO HD3 H 3.847 0.020 1 837 80 80 PRO HG2 H 1.919 0.020 1 838 80 80 PRO HG3 H 1.919 0.020 1 839 80 80 PRO C C 175.733 0.300 1 840 80 80 PRO CA C 63.439 0.300 1 841 80 80 PRO CB C 31.152 0.300 1 842 80 80 PRO CD C 51.193 0.300 1 843 80 80 PRO CG C 26.592 0.300 1 844 81 81 ASP H H 8.242 0.020 1 845 81 81 ASP HA H 4.444 0.020 1 846 81 81 ASP HB2 H 2.574 0.020 1 847 81 81 ASP HB3 H 2.574 0.020 1 848 81 81 ASP C C 175.124 0.300 1 849 81 81 ASP CA C 53.356 0.300 1 850 81 81 ASP CB C 39.875 0.300 1 851 81 81 ASP N N 117.738 0.300 1 852 82 82 TYR H H 7.744 0.020 1 853 82 82 TYR HA H 4.425 0.020 1 854 82 82 TYR HB2 H 3.000 0.020 1 855 82 82 TYR HB3 H 3.000 0.020 1 856 82 82 TYR C C 173.902 0.300 1 857 82 82 TYR CA C 57.557 0.300 1 858 82 82 TYR CB C 38.593 0.300 1 859 82 82 TYR N N 120.527 0.300 1 860 83 83 ASN H H 8.105 0.020 1 861 83 83 ASN HA H 4.778 0.020 1 862 83 83 ASN HB2 H 2.568 0.020 1 863 83 83 ASN HB3 H 2.568 0.020 1 864 83 83 ASN HD21 H 7.411 0.020 1 865 83 83 ASN HD22 H 6.752 0.020 1 866 83 83 ASN C C 175.100 0.300 1 867 83 83 ASN CA C 51.148 0.300 1 868 83 83 ASN CB C 38.970 0.300 1 869 83 83 ASN N N 124.353 0.300 1 870 85 85 PRO HA H 4.190 0.020 1 871 85 85 PRO HB2 H 2.188 0.020 1 872 85 85 PRO HB3 H 2.188 0.020 1 873 85 85 PRO HD2 H 3.651 0.020 1 874 85 85 PRO HD3 H 3.651 0.020 1 875 85 85 PRO HG2 H 1.765 0.020 1 876 85 85 PRO HG3 H 1.565 0.020 1 877 85 85 PRO C C 176.412 0.300 1 878 85 85 PRO CA C 63.081 0.300 1 879 85 85 PRO CB C 31.585 0.300 1 880 85 85 PRO CD C 50.456 0.300 1 881 85 85 PRO CG C 26.461 0.300 1 882 86 86 LEU H H 8.257 0.020 1 883 86 86 LEU HA H 4.182 0.020 1 884 86 86 LEU HB2 H 1.625 0.020 1 885 86 86 LEU HB3 H 1.504 0.020 1 886 86 86 LEU HD1 H 0.812 0.020 1 887 86 86 LEU HD2 H 0.812 0.020 1 888 86 86 LEU HG H 1.504 0.020 1 889 86 86 LEU C C 177.032 0.300 1 890 86 86 LEU CA C 55.100 0.300 1 891 86 86 LEU CB C 41.133 0.300 1 892 86 86 LEU CD1 C 23.671 0.300 1 893 86 86 LEU CD2 C 23.671 0.300 1 894 86 86 LEU CG C 26.489 0.300 1 895 86 86 LEU N N 120.660 0.300 1 896 87 87 VAL H H 7.702 0.020 1 897 87 87 VAL HA H 3.978 0.020 1 898 87 87 VAL HB H 1.971 0.020 1 899 87 87 VAL HG1 H 0.848 0.020 1 900 87 87 VAL HG2 H 0.848 0.020 1 901 87 87 VAL C C 175.671 0.300 1 902 87 87 VAL CA C 61.965 0.300 1 903 87 87 VAL CB C 32.217 0.300 1 904 87 87 VAL CG1 C 19.888 0.300 1 905 87 87 VAL CG2 C 19.888 0.300 1 906 87 87 VAL N N 120.063 0.300 1 907 88 88 GLU H H 8.561 0.020 1 908 88 88 GLU HA H 4.225 0.020 1 909 88 88 GLU HB2 H 2.098 0.020 1 910 88 88 GLU HB3 H 2.098 0.020 1 911 88 88 GLU HG2 H 2.532 0.020 1 912 88 88 GLU HG3 H 2.532 0.020 1 913 88 88 GLU C C 175.776 0.300 1 914 88 88 GLU CA C 56.231 0.300 1 915 88 88 GLU CB C 29.557 0.300 1 916 88 88 GLU CG C 35.830 0.300 1 917 88 88 GLU N N 124.778 0.300 1 918 89 89 THR H H 7.948 0.020 1 919 89 89 THR HA H 4.208 0.020 1 920 89 89 THR HB H 4.100 0.020 1 921 89 89 THR HG2 H 1.067 0.020 1 922 89 89 THR C C 173.643 0.300 1 923 89 89 THR CA C 61.707 0.300 1 924 89 89 THR CB C 69.105 0.300 1 925 89 89 THR CG2 C 20.852 0.300 1 926 89 89 THR N N 114.949 0.300 1 927 90 90 TRP H H 7.847 0.020 1 928 90 90 TRP HA H 4.492 0.020 1 929 90 90 TRP HB2 H 3.186 0.020 1 930 90 90 TRP HB3 H 3.186 0.020 1 931 90 90 TRP HE1 H 10.073 0.020 1 932 90 90 TRP C C 176.036 0.300 1 933 90 90 TRP CA C 57.051 0.300 1 934 90 90 TRP CB C 28.841 0.300 1 935 90 90 TRP N N 122.121 0.300 1 936 90 90 TRP NE1 N 129.367 0.300 1 937 91 91 LYS H H 7.676 0.020 1 938 91 91 LYS HA H 4.084 0.020 1 939 91 91 LYS HB2 H 1.544 0.020 1 940 91 91 LYS HB3 H 1.544 0.020 1 941 91 91 LYS HD2 H 1.438 0.020 1 942 91 91 LYS HD3 H 1.438 0.020 1 943 91 91 LYS HE2 H 2.809 0.020 1 944 91 91 LYS HE3 H 2.809 0.020 1 945 91 91 LYS HG2 H 1.036 0.020 1 946 91 91 LYS HG3 H 1.036 0.020 1 947 91 91 LYS C C 174.798 0.300 1 948 91 91 LYS CA C 55.389 0.300 1 949 91 91 LYS CB C 32.395 0.300 1 950 91 91 LYS CD C 28.664 0.300 1 951 91 91 LYS CE C 41.659 0.300 1 952 91 91 LYS CG C 24.002 0.300 1 953 91 91 LYS N N 123.250 0.300 1 954 92 92 LYS H H 8.035 0.020 1 955 92 92 LYS HA H 4.213 0.020 1 956 92 92 LYS HB2 H 1.768 0.020 1 957 92 92 LYS HB3 H 1.699 0.020 1 958 92 92 LYS HD2 H 1.757 0.020 1 959 92 92 LYS HD3 H 1.757 0.020 1 960 92 92 LYS HE2 H 3.076 0.020 1 961 92 92 LYS HE3 H 3.004 0.020 1 962 92 92 LYS HG2 H 1.518 0.020 1 963 92 92 LYS HG3 H 1.518 0.020 1 964 92 92 LYS CA C 55.484 0.300 1 965 92 92 LYS CB C 29.868 0.300 1 966 92 92 LYS CD C 29.710 0.300 1 967 92 92 LYS CE C 42.855 0.300 1 968 92 92 LYS CG C 26.872 0.300 1 969 92 92 LYS N N 124.114 0.300 1 970 93 93 PRO HA H 4.191 0.020 1 971 93 93 PRO HB2 H 2.189 0.020 1 972 93 93 PRO HB3 H 2.189 0.020 1 973 93 93 PRO HD2 H 3.537 0.020 1 974 93 93 PRO HD3 H 3.537 0.020 1 975 93 93 PRO HG2 H 1.881 0.020 1 976 93 93 PRO HG3 H 1.881 0.020 1 977 93 93 PRO C C 175.822 0.300 1 978 93 93 PRO CA C 62.921 0.300 1 979 93 93 PRO CB C 31.681 0.300 1 980 93 93 PRO CG C 26.818 0.300 1 981 94 94 ASP H H 8.248 0.020 1 982 94 94 ASP HA H 4.400 0.020 1 983 94 94 ASP HB2 H 2.533 0.020 1 984 94 94 ASP HB3 H 2.533 0.020 1 985 94 94 ASP C C 175.560 0.300 1 986 94 94 ASP CA C 53.842 0.300 1 987 94 94 ASP CB C 40.299 0.300 1 988 94 94 ASP N N 119.996 0.300 1 989 95 95 TYR H H 7.855 0.020 1 990 95 95 TYR HA H 4.378 0.020 1 991 95 95 TYR HB2 H 2.748 0.020 1 992 95 95 TYR HB3 H 2.659 0.020 1 993 95 95 TYR C C 175.644 0.300 1 994 95 95 TYR CA C 57.559 0.300 1 995 95 95 TYR CB C 38.269 0.300 1 996 95 95 TYR N N 119.664 0.300 1 997 96 96 GLU H H 8.148 0.020 1 998 96 96 GLU HA H 4.037 0.020 1 999 96 96 GLU HB2 H 1.819 0.020 1 1000 96 96 GLU HB3 H 1.811 0.020 1 1001 96 96 GLU HG2 H 2.182 0.020 1 1002 96 96 GLU HG3 H 2.181 0.020 1 1003 96 96 GLU CA C 55.958 0.300 1 1004 96 96 GLU CB C 29.503 0.300 1 1005 96 96 GLU CG C 35.653 0.300 1 1006 96 96 GLU N N 121.709 0.300 1 stop_ save_