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 ; 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_ _BMRB_accession_number 15225 _BMRB_flat_file_name bmr15225.str _Entry_type new _Submission_date 2007-04-26 _Accession_date 2007-04-26 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 635 "13C chemical shifts" 384 "15N chemical shifts" 93 stop_ save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_title ; Domain 2 of Non-structural Protein 5A (NS5A) of Hepatitis C Virus is Natively Unfolded ; _Citation_status published _Citation_type journal _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_volume 46 _Journal_issue 41 _Journal_CSD ? _Page_first 11550 _Page_last 11558 _Year 2007 loop_ _Keyword "Hepatitis C Virus" NS5A "NS5A domain 2" NMR "Natively unfolded proteins" stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name "Domain 2 of Non-structural Protein 5A (NS5AD2)" 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 monomer _System_paramagnetic no 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) _Mol_thiol_state "all free" loop_ _Biological_function "viral replication" "resistance to IFN" stop_ ############################## # 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 2008-08-19 _Sequence_homology_query_revised_last_date 2008-08-19 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 GenBank AAB66324 "polyprotein [Hepatitis C virus]" 94.12 3011 100.00 100.00 1.10e-52 GenBank AAB67036 "polyprotein [Hepatitis C virus strain H77]" 94.12 3011 100.00 100.00 1.10e-52 GenBank AAB67037 "polyprotein [Hepatitis C virus strain H77]" 94.12 3011 98.96 98.96 1.04e-51 GenBank AAB67038 "polyprotein [Hepatitis C virus strain H77]" 94.12 3011 100.00 100.00 1.17e-52 GenBank AAF01179 "polyprotein [synthetic construct]" 94.12 3015 100.00 100.00 1.10e-52 REF NP_671491 "polyprotein [Hepatitis C virus]" 94.12 3011 100.00 100.00 1.10e-52 REF NP_751927 "NS5A protein [Hepatitis C virus]" 94.12 448 100.00 100.00 1.56e-49 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 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 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_ save_ save_Felix _Saveframe_category software _Name Felix _Version 2004 loop_ _Vendor _Address _Electronic_address "Accelrys Software Inc." ? ? stop_ loop_ _Task "data analysis" stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 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 loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units temperature 298 ? K pH 6.5 ? pH pressure 1 ? atm "ionic strength" 50 ? mM stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference 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 H 1 "methyl protons" ppm 0.00 internal direct ? ? ? 1.000000000 DSS C 13 "methyl protons" ppm 0.00 n/a indirect ? ? ? 0.251449530 DSS N 15 "methyl protons" ppm 0.00 n/a indirect ? ? ? 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # Index Value Definition # # # # 1 Unique (geminal atoms and geminal methyl # # groups with identical chemical shifts # # are assumed to be assigned to # # stereospecific atoms) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups # # 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) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts loop_ _Software_label $TOPSPIN $Felix 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)" 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 4.257 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 4.109 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 4.050 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 2.55 0.020 1 62 9 9 ASP HB3 H 2.55 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 8.259 0.020 1 113 15 15 LEU HA H 4.316 0.020 1 114 15 15 LEU HB2 H 1.530 0.020 1 115 15 15 LEU HB3 H 1.530 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 175.24 0.300 1 120 15 15 LEU CA C 56.603 0.300 1 121 15 15 LEU CB C 38.559 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 116.476 0.300 1 126 16 16 ILE H H 8.177 0.020 1 127 16 16 ILE HA H 4.196 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 4.106 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 4.064 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 4.280 0.020 1 185 21 21 LEU HB2 H 1.742 0.020 1 186 21 21 LEU HB3 H 1.742 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 1.555 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 8.108 0.020 1 198 22 22 TRP HA H 4.752 0.020 1 199 22 22 TRP HB2 H 3.152 0.020 1 200 22 22 TRP HB3 H 3.152 0.020 1 201 22 22 TRP HE1 H 10.213 0.020 1 202 22 22 TRP C C 175.615 0.300 1 203 22 22 TRP CA C 55.188 0.300 1 204 22 22 TRP CB C 29.820 0.300 1 205 22 22 TRP N N 124.379 0.300 1 206 22 22 TRP NE1 N 130.347 0.300 1 207 23 23 ARG H H 8.241 0.020 1 208 23 23 ARG HA H 4.467 0.020 1 209 23 23 ARG HB2 H 1.753 0.020 1 210 23 23 ARG HB3 H 1.753 0.020 1 211 23 23 ARG HD2 H 3.152 0.020 1 212 23 23 ARG HD3 H 3.152 0.020 1 213 23 23 ARG HG2 H 1.584 0.020 1 214 23 23 ARG HG3 H 1.567 0.020 1 215 23 23 ARG C C 175.660 0.300 1 216 23 23 ARG CA C 53.858 0.300 1 217 23 23 ARG CB C 28.615 0.300 1 218 23 23 ARG CD C 42.154 0.300 1 219 23 23 ARG CG C 25.889 0.300 1 220 23 23 ARG N N 121.590 0.300 1 221 24 24 GLN HA H 4.155 0.020 1 222 24 24 GLN HB2 H 1.942 0.020 1 223 24 24 GLN HB3 H 1.942 0.020 1 224 24 24 GLN HG2 H 2.254 0.020 1 225 24 24 GLN HG3 H 2.254 0.020 1 226 24 24 GLN C C 176.058 0.300 1 227 24 24 GLN CA C 56.397 0.300 1 228 24 24 GLN CB C 29.189 0.300 1 229 24 24 GLN CG C 35.856 0.300 1 230 24 24 GLN N N 121.590 0.300 1 231 25 25 GLU H H 8.381 0.020 1 232 25 25 GLU HA H 4.153 0.020 1 233 25 25 GLU HB2 H 2.023 0.020 1 234 25 25 GLU HB3 H 2.023 0.020 1 235 25 25 GLU HG2 H 2.187 0.020 1 236 25 25 GLU HG3 H 2.187 0.020 1 237 25 25 GLU C C 175.660 0.300 1 238 25 25 GLU CA C 56.291 0.300 1 239 25 25 GLU CB C 29.592 0.300 1 240 25 25 GLU CG C 35.848 0.300 1 241 25 25 GLU N N 121.192 0.300 1 242 26 26 MET H H 8.226 0.020 1 243 26 26 MET HA H 4.381 0.020 1 244 26 26 MET HB2 H 1.983 0.020 1 245 26 26 MET HB3 H 1.913 0.020 1 246 26 26 MET HE H 2.014 0.020 1 247 26 26 MET HG2 H 2.410 0.020 1 248 26 26 MET HG3 H 2.410 0.020 1 249 26 26 MET C C 176.339 0.300 1 250 26 26 MET CA C 55.375 0.300 1 251 26 26 MET CB C 32.034 0.300 1 252 26 26 MET CE C 20.138 0.300 1 253 26 26 MET CG C 32.068 0.300 1 254 26 26 MET N N 120.262 0.300 1 255 27 27 GLY H H 8.240 0.020 1 256 27 27 GLY HA2 H 3.888 0.020 1 257 27 27 GLY HA3 H 3.888 0.020 1 258 27 27 GLY C C 174.033 0.300 1 259 27 27 GLY CA C 45.025 0.300 1 260 27 27 GLY N N 109.304 0.300 1 261 28 28 GLY H H 8.174 0.020 1 262 28 28 GLY HA2 H 3.876 0.020 1 263 28 28 GLY HA3 H 3.876 0.020 1 264 28 28 GLY C C 176.346 0.300 1 265 28 28 GLY CA C 44.859 0.300 1 266 28 28 GLY N N 108.175 0.300 1 267 29 29 ASN H H 8.281 0.020 1 268 29 29 ASN HA H 4.552 0.020 1 269 29 29 ASN HB2 H 2.726 0.020 1 270 29 29 ASN HB3 H 2.646 0.020 1 271 29 29 ASN HD21 H 7.519 0.020 1 272 29 29 ASN HD22 H 6.840 0.020 1 273 29 29 ASN C C 174.767 0.300 1 274 29 29 ASN CA C 52.747 0.300 1 275 29 29 ASN CB C 38.371 0.300 1 276 29 29 ASN N N 118.535 0.300 1 277 29 29 ASN ND2 N 112.883 0.300 1 278 30 30 ILE H H 8.034 0.020 1 279 30 30 ILE HA H 4.100 0.020 1 280 30 30 ILE HB H 1.813 0.020 1 281 30 30 ILE HD1 H 0.809 0.020 1 282 30 30 ILE HG12 H 1.365 0.020 1 283 30 30 ILE HG13 H 1.365 0.020 1 284 30 30 ILE HG2 H 1.100 0.020 1 285 30 30 ILE C C 175.786 0.300 1 286 30 30 ILE CA C 60.589 0.300 1 287 30 30 ILE CB C 38.165 0.300 1 288 30 30 ILE CD1 C 12.372 0.300 1 289 30 30 ILE CG1 C 26.739 0.300 1 290 30 30 ILE CG2 C 16.979 0.300 1 291 30 30 ILE N N 120.527 0.300 1 292 31 31 THR H H 8.220 0.020 1 293 31 31 THR HA H 4.261 0.020 1 294 31 31 THR HB H 4.140 0.020 1 295 31 31 THR HG2 H 1.251 0.020 1 296 31 31 THR C C 174.796 0.300 1 297 31 31 THR CA C 61.524 0.300 1 298 31 31 THR CB C 69.380 0.300 1 299 31 31 THR CG2 C 19.668 0.300 1 300 31 31 THR N N 118.801 0.300 1 301 32 32 ARG H H 8.289 0.020 1 302 32 32 ARG HA H 4.325 0.020 1 303 32 32 ARG HB2 H 1.688 0.020 1 304 32 32 ARG HB3 H 1.688 0.020 1 305 32 32 ARG HD2 H 3.080 0.020 1 306 32 32 ARG HD3 H 3.080 0.020 1 307 32 32 ARG HG2 H 1.489 0.020 1 308 32 32 ARG HG3 H 1.489 0.020 1 309 32 32 ARG C C 175.125 0.300 1 310 32 32 ARG CA C 55.525 0.300 1 311 32 32 ARG CB C 30.241 0.300 1 312 32 32 ARG CD C 42.967 0.300 1 313 32 32 ARG CG C 26.580 0.300 1 314 32 32 ARG N N 124.313 0.300 1 315 33 33 VAL H H 8.194 0.020 1 316 33 33 VAL HA H 4.003 0.020 1 317 33 33 VAL HB H 1.756 0.020 1 318 33 33 VAL HG1 H 0.814 0.020 1 319 33 33 VAL HG2 H 0.814 0.020 1 320 33 33 VAL C C 175.290 0.300 1 321 33 33 VAL CA C 61.936 0.300 1 322 33 33 VAL CB C 32.265 0.300 1 323 33 33 VAL CG1 C 20.194 0.300 1 324 33 33 VAL CG2 C 20.194 0.300 1 325 33 33 VAL N N 122.124 0.300 1 326 34 34 GLU H H 8.444 0.020 1 327 34 34 GLU HA H 4.106 0.020 1 328 34 34 GLU HB2 H 2.099 0.020 1 329 34 34 GLU HB3 H 2.099 0.020 1 330 34 34 GLU HG2 H 2.532 0.020 1 331 34 34 GLU HG3 H 2.532 0.020 1 332 34 34 GLU C C 175.992 0.300 1 333 34 34 GLU CA C 55.897 0.300 1 334 34 34 GLU CB C 29.433 0.300 1 335 34 34 GLU CG C 35.567 0.300 1 336 34 34 GLU N N 124.512 0.300 1 337 35 35 SER H H 8.006 0.020 1 338 35 35 SER HA H 4.280 0.020 1 339 35 35 SER HB2 H 3.799 0.020 1 340 35 35 SER HB3 H 3.799 0.020 1 341 35 35 SER C C 175.926 0.300 1 342 35 35 SER CA C 57.581 0.300 1 343 35 35 SER CB C 63.402 0.300 1 344 35 35 SER N N 115.215 0.300 1 345 36 36 GLU H H 8.391 0.020 1 346 36 36 GLU HA H 4.220 0.020 1 347 36 36 GLU HB2 H 1.942 0.020 1 348 36 36 GLU HB3 H 1.942 0.020 1 349 36 36 GLU HG2 H 2.177 0.020 1 350 36 36 GLU HG3 H 2.177 0.020 1 351 36 36 GLU C C 175.395 0.300 1 352 36 36 GLU CA C 56.472 0.300 1 353 36 36 GLU CB C 29.542 0.300 1 354 36 36 GLU CG C 35.849 0.300 1 355 36 36 GLU N N 122.254 0.300 1 356 37 37 ASN H H 8.332 0.020 1 357 37 37 ASN HA H 4.409 0.020 1 358 37 37 ASN HB2 H 2.748 0.020 1 359 37 37 ASN HB3 H 2.748 0.020 1 360 37 37 ASN HD21 H 7.532 0.020 1 361 37 37 ASN HD22 H 6.855 0.020 1 362 37 37 ASN C C 175.262 0.300 1 363 37 37 ASN CA C 52.452 0.300 1 364 37 37 ASN CB C 38.108 0.300 1 365 37 37 ASN N N 119.357 0.300 1 366 37 37 ASN ND2 N 112.883 0.300 1 367 38 38 LYS H H 8.133 0.020 1 368 38 38 LYS HA H 4.249 0.020 1 369 38 38 LYS HB2 H 1.719 0.020 1 370 38 38 LYS HB3 H 1.719 0.020 1 371 38 38 LYS HD2 H 1.627 0.020 1 372 38 38 LYS HD3 H 1.627 0.020 1 373 38 38 LYS HE2 H 2.907 0.020 1 374 38 38 LYS HE3 H 2.907 0.020 1 375 38 38 LYS HG2 H 1.308 0.020 1 376 38 38 LYS HG3 H 1.308 0.020 1 377 38 38 LYS C C 175.461 0.300 1 378 38 38 LYS CA C 55.750 0.300 1 379 38 38 LYS CB C 32.377 0.300 1 380 38 38 LYS CD C 28.225 0.300 1 381 38 38 LYS CE C 42.404 0.300 1 382 38 38 LYS CG C 23.856 0.300 1 383 38 38 LYS N N 121.855 0.300 1 384 39 39 VAL H H 8.089 0.020 1 385 39 39 VAL HA H 4.024 0.020 1 386 39 39 VAL HB H 1.730 0.020 1 387 39 39 VAL HG1 H 0.813 0.020 1 388 39 39 VAL HG2 H 0.813 0.020 1 389 39 39 VAL C C 175.249 0.300 1 390 39 39 VAL CA C 61.840 0.300 1 391 39 39 VAL CB C 32.002 0.300 1 392 39 39 VAL CG1 C 20.070 0.300 1 393 39 39 VAL CG2 C 20.070 0.300 1 394 39 39 VAL N N 122.121 0.300 1 395 40 40 VAL H H 8.219 0.020 1 396 40 40 VAL HA H 4.018 0.020 1 397 40 40 VAL HB H 2.187 0.020 1 398 40 40 VAL HG1 H 0.796 0.020 1 399 40 40 VAL HG2 H 0.796 0.020 1 400 40 40 VAL C C 176.149 0.300 1 401 40 40 VAL CA C 62.379 0.300 1 402 40 40 VAL CB C 30.294 0.300 1 403 40 40 VAL CG1 C 19.436 0.300 1 404 40 40 VAL CG2 C 19.436 0.300 1 405 40 40 VAL N N 125.575 0.300 1 406 41 41 ILE H H 8.175 0.020 1 407 41 41 ILE HA H 4.011 0.020 1 408 41 41 ILE HB H 1.873 0.020 1 409 41 41 ILE HD1 H 0.789 0.020 1 410 41 41 ILE HG12 H 1.592 0.020 1 411 41 41 ILE HG13 H 1.592 0.020 1 412 41 41 ILE HG2 H 0.789 0.020 1 413 41 41 ILE C C 176.779 0.300 1 414 41 41 ILE CA C 61.030 0.300 1 415 41 41 ILE CB C 38.285 0.300 1 416 41 41 ILE CD1 C 11.757 0.300 1 417 41 41 ILE CG1 C 27.077 0.300 1 418 41 41 ILE CG2 C 16.495 0.300 1 419 41 41 ILE N N 121.192 0.300 1 420 42 42 LEU H H 7.867 0.020 1 421 42 42 LEU HA H 4.110 0.020 1 422 42 42 LEU HB2 H 1.505 0.020 1 423 42 42 LEU HB3 H 1.505 0.020 1 424 42 42 LEU HD1 H 0.809 0.020 1 425 42 42 LEU HD2 H 0.809 0.020 1 426 42 42 LEU HG H 1.302 0.020 1 427 42 42 LEU C C 176.325 0.300 1 428 42 42 LEU CA C 55.592 0.300 1 429 42 42 LEU CB C 41.520 0.300 1 430 42 42 LEU CD1 C 22.738 0.300 1 431 42 42 LEU CD2 C 22.738 0.300 1 432 42 42 LEU CG C 26.482 0.300 1 433 42 42 LEU N N 123.184 0.300 1 434 43 43 ASP H H 8.241 0.020 1 435 43 43 ASP HA H 4.441 0.020 1 436 43 43 ASP HB2 H 2.532 0.020 1 437 43 43 ASP HB3 H 2.532 0.020 1 438 43 43 ASP C C 175.344 0.300 1 439 43 43 ASP CA C 53.862 0.300 1 440 43 43 ASP CB C 40.564 0.300 1 441 43 43 ASP N N 121.536 0.300 1 442 44 44 SER H H 8.025 0.020 1 443 44 44 SER HA H 4.280 0.020 1 444 44 44 SER HB2 H 3.751 0.020 1 445 44 44 SER HB3 H 3.751 0.020 1 446 44 44 SER C C 172.368 0.300 1 447 44 44 SER CA C 57.581 0.300 1 448 44 44 SER CB C 63.402 0.300 1 449 44 44 SER N N 115.215 0.300 1 450 45 45 PHE H H 7.907 0.020 1 451 45 45 PHE HA H 4.163 0.020 1 452 45 45 PHE HB2 H 2.876 0.020 1 453 45 45 PHE HB3 H 2.876 0.020 1 454 45 45 PHE C C 175.339 0.300 1 455 45 45 PHE CA C 60.843 0.300 1 456 45 45 PHE CB C 37.527 0.300 1 457 45 45 PHE N N 121.059 0.300 1 458 46 46 ASP H H 8.329 0.020 1 459 46 46 ASP HA H 4.309 0.020 1 460 46 46 ASP HB2 H 2.612 0.020 1 461 46 46 ASP HB3 H 2.612 0.020 1 462 46 46 ASP CA C 54.183 0.300 1 463 46 46 ASP CB C 42.099 0.300 1 464 46 46 ASP N N 127.434 0.300 1 465 47 47 PRO HA H 4.255 0.020 1 466 47 47 PRO HB2 H 2.476 0.020 1 467 47 47 PRO HB3 H 2.476 0.020 1 468 47 47 PRO HD2 H 3.441 0.020 1 469 47 47 PRO HD3 H 3.441 0.020 1 470 47 47 PRO HG2 H 1.878 0.020 1 471 47 47 PRO HG3 H 1.878 0.020 1 472 47 47 PRO C C 176.324 0.300 1 473 47 47 PRO CA C 63.052 0.300 1 474 47 47 PRO CB C 31.719 0.300 1 475 47 47 PRO CD C 53.008 0.300 1 476 47 47 PRO CG C 26.497 0.300 1 477 48 48 LEU H H 8.256 0.020 1 478 48 48 LEU HA H 4.169 0.020 1 479 48 48 LEU HB2 H 2.005 0.020 1 480 48 48 LEU HB3 H 2.005 0.020 1 481 48 48 LEU HD1 H 0.814 0.020 1 482 48 48 LEU HD2 H 0.814 0.020 1 483 48 48 LEU HG H 1.533 0.020 1 484 48 48 LEU C C 176.754 0.300 1 485 48 48 LEU CA C 55.363 0.300 1 486 48 48 LEU CB C 41.138 0.300 1 487 48 48 LEU CD1 C 23.972 0.300 1 488 48 48 LEU CD2 C 23.972 0.300 1 489 48 48 LEU CG C 26.264 0.300 1 490 48 48 LEU N N 120.727 0.300 1 491 49 49 VAL H H 7.963 0.020 1 492 49 49 VAL HA H 3.944 0.020 1 493 49 49 VAL HB H 1.990 0.020 1 494 49 49 VAL HG1 H 0.843 0.020 1 495 49 49 VAL HG2 H 0.843 0.020 1 496 49 49 VAL C C 174.979 0.300 1 497 49 49 VAL CA C 61.803 0.300 1 498 49 49 VAL CB C 32.298 0.300 1 499 49 49 VAL CG1 C 19.618 0.300 1 500 49 49 VAL CG2 C 19.618 0.300 1 501 49 49 VAL N N 120.992 0.300 1 502 50 50 ALA H H 8.164 0.020 1 503 50 50 ALA HA H 4.253 0.020 1 504 50 50 ALA HB H 1.286 0.020 1 505 50 50 ALA C C 176.779 0.300 1 506 50 50 ALA CA C 51.994 0.300 1 507 50 50 ALA CB C 18.656 0.300 1 508 50 50 ALA N N 127.442 0.300 1 509 51 51 GLU H H 8.060 0.020 1 510 51 51 GLU HA H 4.280 0.020 1 511 51 51 GLU HB2 H 2.114 0.020 1 512 51 51 GLU HB3 H 2.114 0.020 1 513 51 51 GLU HG2 H 2.186 0.020 1 514 51 51 GLU HG3 H 2.186 0.020 1 515 51 51 GLU C C 175.726 0.300 1 516 51 51 GLU CA C 55.689 0.300 1 517 51 51 GLU CB C 30.200 0.300 1 518 51 51 GLU CG C 35.772 0.300 1 519 51 51 GLU N N 119.598 0.300 1 520 52 52 GLU H H 8.274 0.020 1 521 52 52 GLU HA H 4.196 0.020 1 522 52 52 GLU HB2 H 2.106 0.020 1 523 52 52 GLU HB3 H 2.106 0.020 1 524 52 52 GLU HG2 H 2.193 0.020 1 525 52 52 GLU HG3 H 2.193 0.020 1 526 52 52 GLU C C 177.108 0.300 1 527 52 52 GLU CA C 57.017 0.300 1 528 52 52 GLU CB C 29.899 0.300 1 529 52 52 GLU CG C 35.567 0.300 1 530 52 52 GLU N N 125.508 0.300 1 531 53 53 ASP H H 8.239 0.020 1 532 53 53 ASP HA H 4.526 0.020 1 533 53 53 ASP HB2 H 2.748 0.020 1 534 53 53 ASP HB3 H 2.659 0.020 1 535 53 53 ASP C C 175.561 0.300 1 536 53 53 ASP CA C 53.115 0.300 1 537 53 53 ASP CB C 38.021 0.300 1 538 53 53 ASP N N 116.543 0.300 1 539 54 54 GLU H H 8.134 0.020 1 540 54 54 GLU HA H 4.051 0.020 1 541 54 54 GLU HB2 H 1.964 0.020 1 542 54 54 GLU HB3 H 1.964 0.020 1 543 54 54 GLU HG2 H 2.376 0.020 1 544 54 54 GLU HG3 H 2.376 0.020 1 545 54 54 GLU C C 175.745 0.300 1 546 54 54 GLU CA C 56.900 0.300 1 547 54 54 GLU CB C 29.119 0.300 1 548 54 54 GLU CG C 36.331 0.300 1 549 54 54 GLU N N 121.921 0.300 1 550 55 55 ARG H H 7.738 0.020 1 551 55 55 ARG HA H 3.997 0.020 1 552 55 55 ARG HB2 H 1.660 0.020 1 553 55 55 ARG HB3 H 1.527 0.020 1 554 55 55 ARG HD2 H 3.019 0.020 1 555 55 55 ARG HD3 H 3.019 0.020 1 556 55 55 ARG HG2 H 1.324 0.020 1 557 55 55 ARG HG3 H 1.324 0.020 1 558 55 55 ARG C C 175.786 0.300 1 559 55 55 ARG CA C 56.065 0.300 1 560 55 55 ARG CB C 30.319 0.300 1 561 55 55 ARG CD C 42.691 0.300 1 562 55 55 ARG CG C 26.473 0.300 1 563 55 55 ARG N N 121.457 0.300 1 564 56 56 GLU H H 8.107 0.020 1 565 56 56 GLU HA H 4.258 0.020 1 566 56 56 GLU HB2 H 2.192 0.020 1 567 56 56 GLU HB3 H 2.192 0.020 1 568 56 56 GLU HG2 H 2.253 0.020 1 569 56 56 GLU HG3 H 2.253 0.020 1 570 56 56 GLU C C 175.789 0.300 1 571 56 56 GLU CA C 55.727 0.300 1 572 56 56 GLU CB C 29.342 0.300 1 573 56 56 GLU CG C 35.567 0.300 1 574 56 56 GLU N N 120.527 0.300 1 575 57 57 VAL H H 8.036 0.020 1 576 57 57 VAL HA H 4.085 0.020 1 577 57 57 VAL HB H 2.177 0.020 1 578 57 57 VAL HG1 H 0.871 0.020 1 579 57 57 VAL HG2 H 0.871 0.020 1 580 57 57 VAL C C 175.527 0.300 1 581 57 57 VAL CA C 61.512 0.300 1 582 57 57 VAL CB C 32.150 0.300 1 583 57 57 VAL CG1 C 21.728 0.300 1 584 57 57 VAL CG2 C 21.728 0.300 1 585 57 57 VAL N N 120.527 0.300 1 586 58 58 SER H H 8.314 0.020 1 587 58 58 SER HA H 4.430 0.020 1 588 58 58 SER HB2 H 3.760 0.020 1 589 58 58 SER HB3 H 3.760 0.020 1 590 58 58 SER C C 173.536 0.300 1 591 58 58 SER CA C 57.658 0.300 1 592 58 58 SER CB C 63.137 0.300 1 593 58 58 SER N N 119.332 0.300 1 594 59 59 VAL H H 8.053 0.020 1 595 59 59 VAL HA H 4.329 0.020 1 596 59 59 VAL HB H 1.983 0.020 1 597 59 59 VAL HG1 H 0.892 0.020 1 598 59 59 VAL HG2 H 0.850 0.020 1 599 59 59 VAL CA C 60.043 0.300 1 600 59 59 VAL CB C 32.153 0.300 1 601 59 59 VAL CG1 C 20.332 0.300 1 602 59 59 VAL CG2 C 20.332 0.300 1 603 59 59 VAL N N 123.051 0.300 1 604 60 60 PRO HA H 4.258 0.020 1 605 60 60 PRO HB2 H 2.286 0.020 1 606 60 60 PRO HB3 H 2.286 0.020 1 607 60 60 PRO HD2 H 3.695 0.020 1 608 60 60 PRO HD3 H 3.586 0.020 1 609 60 60 PRO HG2 H 1.940 0.020 1 610 60 60 PRO HG3 H 1.849 0.020 1 611 60 60 PRO C C 176.703 0.300 1 612 60 60 PRO CA C 63.585 0.300 1 613 60 60 PRO CB C 31.714 0.300 1 614 60 60 PRO CD C 51.152 0.300 1 615 60 60 PRO CG C 26.743 0.300 1 616 61 61 ALA H H 8.367 0.020 1 617 61 61 ALA HA H 4.055 0.020 1 618 61 61 ALA HB H 1.370 0.020 1 619 61 61 ALA C C 178.332 0.300 1 620 61 61 ALA CA C 53.893 0.300 1 621 61 61 ALA CB C 18.480 0.300 1 622 61 61 ALA N N 123.649 0.300 1 623 62 62 GLU H H 8.486 0.020 1 624 62 62 GLU HA H 4.080 0.020 1 625 62 62 GLU HB2 H 2.172 0.020 1 626 62 62 GLU HB3 H 2.172 0.020 1 627 62 62 GLU HG2 H 2.183 0.020 1 628 62 62 GLU HG3 H 2.183 0.020 1 629 62 62 GLU C C 176.390 0.300 1 630 62 62 GLU CA C 57.378 0.300 1 631 62 62 GLU CB C 29.160 0.300 1 632 62 62 GLU CG C 35.859 0.300 1 633 62 62 GLU N N 118.004 0.300 1 634 63 63 ILE H H 8.179 0.020 1 635 63 63 ILE HA H 4.181 0.020 1 636 63 63 ILE HB H 1.815 0.020 1 637 63 63 ILE HD1 H 0.761 0.020 1 638 63 63 ILE HG12 H 1.284 0.020 1 639 63 63 ILE HG13 H 1.263 0.020 1 640 63 63 ILE HG2 H 0.808 0.020 1 641 63 63 ILE C C 177.520 0.300 1 642 63 63 ILE CA C 61.177 0.300 1 643 63 63 ILE CB C 38.257 0.300 1 644 63 63 ILE CD1 C 12.125 0.300 1 645 63 63 ILE CG1 C 26.502 0.300 1 646 63 63 ILE CG2 C 17.083 0.300 1 647 63 63 ILE N N 120.793 0.300 1 648 64 64 LEU H H 8.033 0.020 1 649 64 64 LEU HA H 4.255 0.020 1 650 64 64 LEU HB2 H 1.624 0.020 1 651 64 64 LEU HB3 H 1.515 0.020 1 652 64 64 LEU HD1 H 0.810 0.020 1 653 64 64 LEU HD2 H 0.810 0.020 1 654 64 64 LEU HG H 1.499 0.020 1 655 64 64 LEU C C 176.789 0.300 1 656 64 64 LEU CA C 55.375 0.300 1 657 64 64 LEU CB C 40.760 0.300 1 658 64 64 LEU CD1 C 23.452 0.300 1 659 64 64 LEU CD2 C 23.452 0.300 1 660 64 64 LEU CG C 26.385 0.300 1 661 64 64 LEU N N 119.798 0.300 1 662 65 65 ARG H H 7.828 0.020 1 663 65 65 ARG HA H 4.496 0.020 1 664 65 65 ARG HB2 H 1.569 0.020 1 665 65 65 ARG HB3 H 1.569 0.020 1 666 65 65 ARG HD2 H 3.005 0.020 1 667 65 65 ARG HD3 H 3.005 0.020 1 668 65 65 ARG HG2 H 1.345 0.020 1 669 65 65 ARG HG3 H 1.345 0.020 1 670 65 65 ARG C C 176.555 0.300 1 671 65 65 ARG CA C 57.318 0.300 1 672 65 65 ARG CB C 28.781 0.300 1 673 65 65 ARG CD C 42.734 0.300 1 674 65 65 ARG CG C 26.788 0.300 1 675 65 65 ARG N N 120.262 0.300 1 676 66 66 LYS H H 7.968 0.020 1 677 66 66 LYS HA H 4.337 0.020 1 678 66 66 LYS HB2 H 1.718 0.020 1 679 66 66 LYS HB3 H 1.718 0.020 1 680 66 66 LYS HD2 H 1.626 0.020 1 681 66 66 LYS HD3 H 1.626 0.020 1 682 66 66 LYS HE2 H 2.901 0.020 1 683 66 66 LYS HE3 H 2.901 0.020 1 684 66 66 LYS HG2 H 1.307 0.020 1 685 66 66 LYS HG3 H 1.307 0.020 1 686 66 66 LYS C C 174.067 0.300 1 687 66 66 LYS CA C 55.995 0.300 1 688 66 66 LYS CB C 32.342 0.300 1 689 66 66 LYS CD C 28.321 0.300 1 690 66 66 LYS CE C 42.625 0.300 1 691 66 66 LYS CG C 23.960 0.300 1 692 66 66 LYS N N 120.129 0.300 1 693 67 67 SER H H 8.136 0.020 1 694 67 67 SER HA H 4.495 0.020 1 695 67 67 SER HB2 H 3.818 0.020 1 696 67 67 SER HB3 H 3.818 0.020 1 697 67 67 SER C C 172.926 0.300 1 698 67 67 SER CA C 57.633 0.300 1 699 67 67 SER CB C 63.365 0.300 1 700 67 67 SER N N 121.856 0.300 1 701 68 68 ARG H H 7.890 0.020 1 702 68 68 ARG HA H 4.054 0.020 1 703 68 68 ARG HB2 H 1.968 0.020 1 704 68 68 ARG HB3 H 1.968 0.020 1 705 68 68 ARG HD2 H 3.048 0.020 1 706 68 68 ARG HD3 H 3.048 0.020 1 707 68 68 ARG HG2 H 1.785 0.020 1 708 68 68 ARG HG3 H 1.785 0.020 1 709 68 68 ARG C C 176.064 0.300 1 710 68 68 ARG CA C 57.245 0.300 1 711 68 68 ARG CB C 30.134 0.300 1 712 68 68 ARG CD C 43.883 0.300 1 713 68 68 ARG CG C 28.998 0.300 1 714 68 68 ARG N N 127.434 0.300 1 715 69 69 ARG H H 8.382 0.020 1 716 69 69 ARG HA H 4.148 0.020 1 717 69 69 ARG HB2 H 1.562 0.020 1 718 69 69 ARG HB3 H 1.562 0.020 1 719 69 69 ARG HD2 H 3.007 0.020 1 720 69 69 ARG HD3 H 3.007 0.020 1 721 69 69 ARG HG2 H 1.300 0.020 1 722 69 69 ARG HG3 H 1.300 0.020 1 723 69 69 ARG C C 177.622 0.300 1 724 69 69 ARG CA C 56.282 0.300 1 725 69 69 ARG CB C 29.482 0.300 1 726 69 69 ARG CD C 42.671 0.300 1 727 69 69 ARG CG C 26.462 0.300 1 728 69 69 ARG N N 121.192 0.300 1 729 70 70 PHE H H 8.028 0.020 1 730 70 70 PHE HA H 4.530 0.020 1 731 70 70 PHE HB2 H 3.110 0.020 1 732 70 70 PHE HB3 H 2.888 0.020 1 733 70 70 PHE C C 174.875 0.300 1 734 70 70 PHE CA C 57.188 0.300 1 735 70 70 PHE CB C 39.105 0.300 1 736 70 70 PHE N N 119.664 0.300 1 737 71 71 ALA H H 8.058 0.020 1 738 71 71 ALA HA H 4.202 0.020 1 739 71 71 ALA HB H 1.278 0.020 1 740 71 71 ALA C C 175.701 0.300 1 741 71 71 ALA CA C 52.212 0.300 1 742 71 71 ALA CB C 18.912 0.300 1 743 71 71 ALA N N 124.778 0.300 1 744 72 72 ARG H H 7.876 0.020 1 745 72 72 ARG HA H 4.262 0.020 1 746 72 72 ARG HB2 H 1.626 0.020 1 747 72 72 ARG HB3 H 1.626 0.020 1 748 72 72 ARG HD2 H 2.835 0.020 1 749 72 72 ARG HD3 H 2.835 0.020 1 750 72 72 ARG HG2 H 1.505 0.020 1 751 72 72 ARG HG3 H 1.505 0.020 1 752 72 72 ARG C C 174.962 0.300 1 753 72 72 ARG CA C 53.954 0.300 1 754 72 72 ARG CB C 30.464 0.300 1 755 72 72 ARG CD C 41.363 0.300 1 756 72 72 ARG CG C 26.487 0.300 1 757 72 72 ARG N N 118.668 0.300 1 758 73 73 ALA H H 7.684 0.020 1 759 73 73 ALA HA H 3.978 0.020 1 760 73 73 ALA HB H 1.253 0.020 1 761 73 73 ALA C C 176.572 0.300 1 762 73 73 ALA CA C 51.228 0.300 1 763 73 73 ALA CB C 18.854 0.300 1 764 73 73 ALA N N 119.996 0.300 1 765 74 74 LEU H H 8.002 0.020 1 766 74 74 LEU HA H 4.383 0.020 1 767 74 74 LEU HB2 H 1.507 0.020 1 768 74 74 LEU HB3 H 1.507 0.020 1 769 74 74 LEU HD1 H 0.734 0.020 1 770 74 74 LEU HD2 H 0.734 0.020 1 771 74 74 LEU HG H 1.400 0.020 1 772 74 74 LEU CA C 52.149 0.300 1 773 74 74 LEU CB C 41.625 0.300 1 774 74 74 LEU CD1 C 23.776 0.300 1 775 74 74 LEU CD2 C 23.776 0.300 1 776 74 74 LEU CG C 26.545 0.300 1 777 74 74 LEU N N 122.719 0.300 1 778 75 75 PRO HA H 4.405 0.020 1 779 75 75 PRO HB2 H 2.218 0.020 1 780 75 75 PRO HB3 H 2.218 0.020 1 781 75 75 PRO HD2 H 3.688 0.020 1 782 75 75 PRO HD3 H 3.688 0.020 1 783 75 75 PRO HG2 H 1.911 0.020 1 784 75 75 PRO HG3 H 1.911 0.020 1 785 75 75 PRO C C 176.839 0.300 1 786 75 75 PRO CA C 62.287 0.300 1 787 75 75 PRO CB C 31.378 0.300 1 788 75 75 PRO CD C 50.171 0.300 1 789 75 75 PRO CG C 26.605 0.300 1 790 76 76 VAL H H 8.112 0.020 1 791 76 76 VAL HA H 3.681 0.020 1 792 76 76 VAL HB H 1.919 0.020 1 793 76 76 VAL HG1 H 0.842 0.020 1 794 76 76 VAL HG2 H 0.842 0.020 1 795 76 76 VAL C C 175.414 0.300 1 796 76 76 VAL CA C 63.346 0.300 1 797 76 76 VAL CB C 31.033 0.300 1 798 76 76 VAL CG1 C 19.564 0.300 1 799 76 76 VAL CG2 C 19.564 0.300 1 800 76 76 VAL N N 119.199 0.300 1 801 77 77 TRP H H 7.135 0.020 1 802 77 77 TRP HA H 4.237 0.020 1 803 77 77 TRP HB2 H 3.209 0.020 1 804 77 77 TRP HB3 H 3.048 0.020 1 805 77 77 TRP HE1 H 10.105 0.020 1 806 77 77 TRP C C 175.147 0.300 1 807 77 77 TRP CA C 55.771 0.300 1 808 77 77 TRP CB C 28.399 0.300 1 809 77 77 TRP N N 118.602 0.300 1 810 77 77 TRP NE1 N 129.592 0.300 1 811 78 78 ALA H H 7.498 0.020 1 812 78 78 ALA HA H 4.244 0.020 1 813 78 78 ALA HB H 1.307 0.020 1 814 78 78 ALA C C 176.482 0.300 1 815 78 78 ALA CA C 51.171 0.300 1 816 78 78 ALA CB C 18.843 0.300 1 817 78 78 ALA N N 124.645 0.300 1 818 79 79 ARG H H 8.241 0.020 1 819 79 79 ARG HA H 4.477 0.020 1 820 79 79 ARG HB2 H 1.788 0.020 1 821 79 79 ARG HB3 H 1.780 0.020 1 822 79 79 ARG HD2 H 2.887 0.020 1 823 79 79 ARG HD3 H 2.887 0.020 1 824 79 79 ARG HG2 H 1.584 0.020 1 825 79 79 ARG HG3 H 1.584 0.020 1 826 79 79 ARG CA C 54.016 0.300 1 827 79 79 ARG CB C 29.073 0.300 1 828 79 79 ARG CD C 41.815 0.300 1 829 79 79 ARG CG C 28.756 0.300 1 830 79 79 ARG N N 121.657 0.300 1 831 80 80 PRO HA H 4.287 0.020 1 832 80 80 PRO HB2 H 2.161 0.020 1 833 80 80 PRO HB3 H 2.161 0.020 1 834 80 80 PRO HD2 H 3.847 0.020 1 835 80 80 PRO HD3 H 3.847 0.020 1 836 80 80 PRO HG2 H 1.919 0.020 1 837 80 80 PRO HG3 H 1.919 0.020 1 838 80 80 PRO C C 175.733 0.300 1 839 80 80 PRO CA C 63.439 0.300 1 840 80 80 PRO CB C 31.152 0.300 1 841 80 80 PRO CD C 51.193 0.300 1 842 80 80 PRO CG C 26.592 0.300 1 843 81 81 ASP H H 8.242 0.020 1 844 81 81 ASP HA H 4.422 0.020 1 845 81 81 ASP HB2 H 2.574 0.020 1 846 81 81 ASP HB3 H 2.574 0.020 1 847 81 81 ASP C C 175.124 0.300 1 848 81 81 ASP CA C 53.356 0.300 1 849 81 81 ASP CB C 39.875 0.300 1 850 81 81 ASP N N 117.738 0.300 1 851 82 82 TYR H H 7.744 0.020 1 852 82 82 TYR HA H 4.487 0.020 1 853 82 82 TYR HB2 H 2.969 0.020 1 854 82 82 TYR HB3 H 2.969 0.020 1 855 82 82 TYR C C 173.902 0.300 1 856 82 82 TYR CA C 57.557 0.300 1 857 82 82 TYR CB C 38.593 0.300 1 858 82 82 TYR N N 120.527 0.300 1 859 83 83 ASN H H 8.105 0.020 1 860 83 83 ASN HA H 4.796 0.020 1 861 83 83 ASN HB2 H 2.579 0.020 1 862 83 83 ASN HB3 H 2.579 0.020 1 863 83 83 ASN HD21 H 7.423 0.020 1 864 83 83 ASN HD22 H 6.764 0.020 1 865 83 83 ASN CA C 50.711 0.300 1 866 83 83 ASN CB C 38.339 0.300 1 867 83 83 ASN N N 123.782 0.300 1 868 85 85 PRO HA H 4.190 0.020 1 869 85 85 PRO HB2 H 2.188 0.020 1 870 85 85 PRO HB3 H 2.188 0.020 1 871 85 85 PRO HD2 H 3.651 0.020 1 872 85 85 PRO HD3 H 3.651 0.020 1 873 85 85 PRO HG2 H 1.765 0.020 1 874 85 85 PRO HG3 H 1.565 0.020 1 875 85 85 PRO C C 176.412 0.300 1 876 85 85 PRO CA C 63.081 0.300 1 877 85 85 PRO CB C 31.585 0.300 1 878 85 85 PRO CD C 50.456 0.300 1 879 85 85 PRO CG C 26.461 0.300 1 880 86 86 LEU H H 8.257 0.020 1 881 86 86 LEU HA H 4.182 0.020 1 882 86 86 LEU HB2 H 1.625 0.020 1 883 86 86 LEU HB3 H 1.504 0.020 1 884 86 86 LEU HD1 H 0.812 0.020 1 885 86 86 LEU HD2 H 0.812 0.020 1 886 86 86 LEU HG H 1.504 0.020 1 887 86 86 LEU C C 177.032 0.300 1 888 86 86 LEU CA C 55.100 0.300 1 889 86 86 LEU CB C 41.133 0.300 1 890 86 86 LEU CD1 C 23.671 0.300 1 891 86 86 LEU CD2 C 23.671 0.300 1 892 86 86 LEU CG C 26.489 0.300 1 893 86 86 LEU N N 120.660 0.300 1 894 87 87 VAL H H 7.702 0.020 1 895 87 87 VAL HA H 3.978 0.020 1 896 87 87 VAL HB H 1.971 0.020 1 897 87 87 VAL HG1 H 0.848 0.020 1 898 87 87 VAL HG2 H 0.848 0.020 1 899 87 87 VAL C C 175.671 0.300 1 900 87 87 VAL CA C 61.965 0.300 1 901 87 87 VAL CB C 32.217 0.300 1 902 87 87 VAL CG1 C 19.888 0.300 1 903 87 87 VAL CG2 C 19.888 0.300 1 904 87 87 VAL N N 120.063 0.300 1 905 88 88 GLU H H 8.561 0.020 1 906 88 88 GLU HA H 4.225 0.020 1 907 88 88 GLU HB2 H 2.098 0.020 1 908 88 88 GLU HB3 H 2.098 0.020 1 909 88 88 GLU HG2 H 2.532 0.020 1 910 88 88 GLU HG3 H 2.532 0.020 1 911 88 88 GLU C C 175.776 0.300 1 912 88 88 GLU CA C 56.231 0.300 1 913 88 88 GLU CB C 29.557 0.300 1 914 88 88 GLU CG C 35.830 0.300 1 915 88 88 GLU N N 124.778 0.300 1 916 89 89 THR H H 7.948 0.020 1 917 89 89 THR HA H 4.208 0.020 1 918 89 89 THR HB H 4.100 0.020 1 919 89 89 THR HG2 H 1.067 0.020 1 920 89 89 THR C C 173.643 0.300 1 921 89 89 THR CA C 61.707 0.300 1 922 89 89 THR CB C 69.105 0.300 1 923 89 89 THR CG2 C 20.852 0.300 1 924 89 89 THR N N 114.949 0.300 1 925 90 90 TRP H H 7.847 0.020 1 926 90 90 TRP HA H 4.492 0.020 1 927 90 90 TRP HB2 H 3.186 0.020 1 928 90 90 TRP HB3 H 3.186 0.020 1 929 90 90 TRP HE1 H 10.073 0.020 1 930 90 90 TRP C C 176.036 0.300 1 931 90 90 TRP CA C 57.051 0.300 1 932 90 90 TRP CB C 28.841 0.300 1 933 90 90 TRP N N 122.121 0.300 1 934 90 90 TRP NE1 N 129.367 0.300 1 935 91 91 LYS H H 7.676 0.020 1 936 91 91 LYS HA H 4.084 0.020 1 937 91 91 LYS HB2 H 1.544 0.020 1 938 91 91 LYS HB3 H 1.544 0.020 1 939 91 91 LYS HD2 H 1.438 0.020 1 940 91 91 LYS HD3 H 1.438 0.020 1 941 91 91 LYS HE2 H 2.809 0.020 1 942 91 91 LYS HE3 H 2.809 0.020 1 943 91 91 LYS HG2 H 1.036 0.020 1 944 91 91 LYS HG3 H 1.036 0.020 1 945 91 91 LYS C C 174.798 0.300 1 946 91 91 LYS CA C 55.389 0.300 1 947 91 91 LYS CB C 32.395 0.300 1 948 91 91 LYS CD C 28.664 0.300 1 949 91 91 LYS CE C 41.659 0.300 1 950 91 91 LYS CG C 24.002 0.300 1 951 91 91 LYS N N 123.250 0.300 1 952 92 92 LYS H H 8.035 0.020 1 953 92 92 LYS HA H 4.213 0.020 1 954 92 92 LYS HB2 H 1.768 0.020 1 955 92 92 LYS HB3 H 1.699 0.020 1 956 92 92 LYS HD2 H 1.757 0.020 1 957 92 92 LYS HD3 H 1.757 0.020 1 958 92 92 LYS HE2 H 3.076 0.020 1 959 92 92 LYS HE3 H 3.004 0.020 1 960 92 92 LYS HG2 H 1.518 0.020 1 961 92 92 LYS HG3 H 1.518 0.020 1 962 92 92 LYS CA C 55.484 0.300 1 963 92 92 LYS CB C 29.868 0.300 1 964 92 92 LYS CD C 29.710 0.300 1 965 92 92 LYS CE C 42.855 0.300 1 966 92 92 LYS CG C 26.872 0.300 1 967 92 92 LYS N N 124.114 0.300 1 968 93 93 PRO HA H 4.191 0.020 1 969 93 93 PRO HB2 H 2.189 0.020 1 970 93 93 PRO HB3 H 2.189 0.020 1 971 93 93 PRO HD2 H 3.537 0.020 1 972 93 93 PRO HD3 H 3.537 0.020 1 973 93 93 PRO HG2 H 1.881 0.020 1 974 93 93 PRO HG3 H 1.881 0.020 1 975 93 93 PRO C C 175.822 0.300 1 976 93 93 PRO CA C 62.921 0.300 1 977 93 93 PRO CB C 31.681 0.300 1 978 93 93 PRO CG C 26.818 0.300 1 979 94 94 ASP H H 8.248 0.020 1 980 94 94 ASP HA H 4.400 0.020 1 981 94 94 ASP HB2 H 2.533 0.020 1 982 94 94 ASP HB3 H 2.533 0.020 1 983 94 94 ASP C C 175.560 0.300 1 984 94 94 ASP CA C 53.842 0.300 1 985 94 94 ASP CB C 40.299 0.300 1 986 94 94 ASP N N 119.996 0.300 1 987 95 95 TYR H H 7.855 0.020 1 988 95 95 TYR HA H 4.378 0.020 1 989 95 95 TYR HB2 H 2.748 0.020 1 990 95 95 TYR HB3 H 2.659 0.020 1 991 95 95 TYR C C 175.644 0.300 1 992 95 95 TYR CA C 57.559 0.300 1 993 95 95 TYR CB C 38.269 0.300 1 994 95 95 TYR N N 119.664 0.300 1 995 96 96 GLU H H 8.148 0.020 1 996 96 96 GLU HA H 4.037 0.020 1 997 96 96 GLU HB2 H 1.819 0.020 1 998 96 96 GLU HB3 H 1.811 0.020 1 999 96 96 GLU HG2 H 2.182 0.020 1 1000 96 96 GLU HG3 H 2.181 0.020 1 1001 96 96 GLU CA C 55.958 0.300 1 1002 96 96 GLU CB C 29.503 0.300 1 1003 96 96 GLU CG C 35.653 0.300 1 1004 96 96 GLU N N 121.709 0.300 1 stop_ save_