data_16258 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution Structure of RCL ; _BMRB_accession_number 16258 _BMRB_flat_file_name bmr16258.str _Entry_type original _Submission_date 2009-04-15 _Accession_date 2009-04-15 _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 Doddapaneni K. . . 2 Mahler B . . 3 Yuan C. . . 4 Wu Z. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 715 "13C chemical shifts" 634 "15N chemical shifts" 146 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-01-21 update BMRB 'complete entry citation' 2009-09-04 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_citations _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution structure of RCL, a novel 2'-deoxyribonucleoside 5'-monophosphate N-glycosidase.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 19720067 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Doddapaneni Kiran . . 2 Mahler Bryon . . 3 Pavlovicz Ryan . . 4 Haushalter Adam . . 5 Yuan Chunhua . . 6 Wu Zhengrong . . stop_ _Journal_abbreviation 'J. Mol. Biol.' _Journal_name_full 'Journal of molecular biology' _Journal_volume 394 _Journal_issue 3 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 423 _Page_last 434 _Year 2009 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name RCL _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label RCL_1 $RCL RCL_2 $RCL 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_RCL _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common RCL _Molecular_mass 17799.068 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 165 _Mol_residue_sequence ; GHMAASGEQAPCSVYFCGSI RGGREDQALYARIVSRLRRY GKVLTEHVADAELEPLGEEA AGGDQFIHEQDLNWLQQADV VVAEVTQPSLGVGYELGRAV ALGKPILCLFRPQSGRVLSA MIRGAADGSRFQVWDYAEGE VETMLDRYFEAYLPQKTASS SHPSA ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 HIS 3 MET 4 ALA 5 ALA 6 SER 7 GLY 8 GLU 9 GLN 10 ALA 11 PRO 12 CYS 13 SER 14 VAL 15 TYR 16 PHE 17 CYS 18 GLY 19 SER 20 ILE 21 ARG 22 GLY 23 GLY 24 ARG 25 GLU 26 ASP 27 GLN 28 ALA 29 LEU 30 TYR 31 ALA 32 ARG 33 ILE 34 VAL 35 SER 36 ARG 37 LEU 38 ARG 39 ARG 40 TYR 41 GLY 42 LYS 43 VAL 44 LEU 45 THR 46 GLU 47 HIS 48 VAL 49 ALA 50 ASP 51 ALA 52 GLU 53 LEU 54 GLU 55 PRO 56 LEU 57 GLY 58 GLU 59 GLU 60 ALA 61 ALA 62 GLY 63 GLY 64 ASP 65 GLN 66 PHE 67 ILE 68 HIS 69 GLU 70 GLN 71 ASP 72 LEU 73 ASN 74 TRP 75 LEU 76 GLN 77 GLN 78 ALA 79 ASP 80 VAL 81 VAL 82 VAL 83 ALA 84 GLU 85 VAL 86 THR 87 GLN 88 PRO 89 SER 90 LEU 91 GLY 92 VAL 93 GLY 94 TYR 95 GLU 96 LEU 97 GLY 98 ARG 99 ALA 100 VAL 101 ALA 102 LEU 103 GLY 104 LYS 105 PRO 106 ILE 107 LEU 108 CYS 109 LEU 110 PHE 111 ARG 112 PRO 113 GLN 114 SER 115 GLY 116 ARG 117 VAL 118 LEU 119 SER 120 ALA 121 MET 122 ILE 123 ARG 124 GLY 125 ALA 126 ALA 127 ASP 128 GLY 129 SER 130 ARG 131 PHE 132 GLN 133 VAL 134 TRP 135 ASP 136 TYR 137 ALA 138 GLU 139 GLY 140 GLU 141 VAL 142 GLU 143 THR 144 MET 145 LEU 146 ASP 147 ARG 148 TYR 149 PHE 150 GLU 151 ALA 152 TYR 153 LEU 154 PRO 155 GLN 156 LYS 157 THR 158 ALA 159 SER 160 SER 161 SER 162 HIS 163 PRO 164 SER 165 ALA stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-30 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 2KHZ "Solution Structure Of Rcl" 100.00 165 100.00 100.00 9.94e-116 PDB 2KLH "Nmr Structure Of Rcl In Complex With Gmp" 85.45 152 99.29 99.29 4.70e-95 PDB 4FYH "Crystal Structure Of Rcl With Phospho-triciribine" 85.45 152 99.29 100.00 8.85e-96 PDB 4FYI "Crystal Structure Of Rcl With 6-cyclopentyl-amp" 85.45 152 99.29 100.00 8.85e-96 PDB 4FYK "Crystal Structure Of Rcl With 5'-phiosphorothioate-adenosine" 85.45 152 99.29 100.00 8.85e-96 PDB 4KXL "Crystal Structure Of Dnph1 (rcl) With 6-cyclopentyl-amp" 85.45 152 99.29 100.00 8.85e-96 PDB 4KXM "Crystal Structure Of Dnph1 (rcl) With N6-isopentenyl-amp" 85.45 152 99.29 100.00 8.85e-96 PDB 4KXN "Crystal Structure Of Dnph1 (rcl) With Kinetine Riboside Monophosphate" 85.45 152 99.29 100.00 8.85e-96 PDB 4P5D "Crystal Structure Of Rat Dnph1 (rcl) With 6-naphthyl-purine-riboside- Monophosphate" 85.45 152 99.29 100.00 8.85e-96 GB AAB95314 "RCL [Rattus norvegicus]" 98.79 163 100.00 100.00 7.04e-114 GB EDM18826 "Nucleoside 2-deoxyribosyltransferase domain containing protein RGD620382 [Rattus norvegicus]" 98.79 163 100.00 100.00 7.04e-114 REF NP_598209 "2'-deoxynucleoside 5'-phosphate N-hydrolase 1 [Rattus norvegicus]" 98.79 163 100.00 100.00 7.04e-114 SP O35820 "RecName: Full=2'-deoxynucleoside 5'-phosphate N-hydrolase 1; AltName: Full=Deoxyribonucleoside 5'-monophosphate N-glycosidase; " 98.79 163 100.00 100.00 7.04e-114 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $RCL Rat 10116 Eukaryota Metazoa Rattus norvegicus 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 $RCL 'recombinant technology' . Escherichia coli BL21(DE3) pET24d stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_Aniso_water _Saveframe_category sample _Sample_type 'filamentous virus' _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling 'sodium phosphate' 25 mM 'natural abundance' 'sodium chloride' 25 mM 'natural abundance' DTT 2 mM 'natural abundance' 'sodium azide' 0.02 % 'natural abundance' 'Pf1 phage' 12 % 'natural abundance' stop_ save_ save_Iso_water _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling 'sodium phosphate' 25 mM 'natural abundance' 'sodium chloride' 25 mM 'natural abundance' DTT 2 mM 'natural abundance' 'sodium azide' 0.02 % 'natural abundance' stop_ save_ save_D20 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling 'sodium phosphate' 25 mM 'natural abundance' 'sodium chloride' 25 mM 'natural abundance' DTT 2 mM 'natural abundance' 'sodium azide' 0.02 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task 'data analysis' processing stop_ _Details . save_ save_NMRView _Saveframe_category software _Name NMRView _Version . loop_ _Vendor _Address _Electronic_address 'Johnson, One Moon Scientific' . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' 'peak picking' stop_ _Details . save_ save_X-PLOR_NIH _Saveframe_category software _Name 'X-PLOR NIH' _Version . loop_ _Vendor _Address _Electronic_address 'Schwieters, Kuszewski, Tjandra and Clore' . . stop_ loop_ _Task refinement 'structure solution' stop_ _Details . save_ save_TALOS _Saveframe_category software _Name TALOS _Version . loop_ _Vendor _Address _Electronic_address 'Cornilescu, Delaglio and Bax' . . stop_ loop_ _Task 'geometry optimization' stop_ _Details . save_ save_ProcheckNMR _Saveframe_category software _Name ProcheckNMR _Version . loop_ _Vendor _Address _Electronic_address 'Laskowski and MacArthur' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_xwinnmr _Saveframe_category software _Name xwinnmr _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ save_NMRDraw _Saveframe_category software _Name NMRDraw _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task 'peak picking' processing stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details 'Cryogenic triple-resonance probe with z-axis pulsed field gradients' save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details 'Cryogenic triple-resonance probe with z-axis pulsed field gradients' save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_TROSY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N TROSY' _Sample_label $Iso_water save_ save_3D_HNCA_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $Iso_water save_ save_3D_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $Iso_water save_ save_3D_HNCOCA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCOCA' _Sample_label $Iso_water save_ save_3D_HCCH-TOCSY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $Iso_water save_ save_3D_1H-15N_TOCSY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _Sample_label $Iso_water save_ save_2D_1H-13C_ct-HSQC_7 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C ct-HSQC' _Sample_label $Iso_water save_ save_3D_1H-15N_NOESY-TROSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY-TROSY' _Sample_label $Iso_water save_ save_3D_1H-13C_NOESY-HSQC_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY-HSQC' _Sample_label $D20 save_ save_3D_1H-13C-13C_HMQC-NOESY-HSQC_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C-13C HMQC-NOESY-HSQC' _Sample_label $D20 save_ save_3D_13C-edited_NOESY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-edited NOESY' _Sample_label $Iso_water save_ save_3D_15N/13C-filtered_13C-edited_NOESY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N/13C-filtered 13C-edited NOESY' _Sample_label $Iso_water save_ save_2D_1H-15N_TROSY_13 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N TROSY' _Sample_label $Aniso_water save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.5 . pH pressure 1.0 . atm temperature 303 . 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_ _Experiment_label '3D HNCA' '3D HNCACB' '3D HNCOCA' '3D HCCH-TOCSY' '3D 1H-15N TOCSY' '2D 1H-13C ct-HSQC' stop_ loop_ _Sample_label $Iso_water stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name RCL_1 _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 3 MET HA H 4.357 . 1 2 1 3 MET HB3 H 1.913 . 2 3 1 3 MET C C 175.587 . 1 4 1 3 MET CA C 55.145 . 1 5 1 3 MET CB C 32.491 . 1 6 2 4 ALA H H 8.270 . 1 7 2 4 ALA HA H 4.212 . 1 8 2 4 ALA HB H 1.286 . 1 9 2 4 ALA C C 177.441 . 1 10 2 4 ALA CA C 52.280 . 1 11 2 4 ALA CB C 18.880 . 1 12 2 4 ALA N N 126.500 . 1 13 3 5 ALA H H 8.251 . 1 14 3 5 ALA HA H 4.261 . 1 15 3 5 ALA HB H 1.306 . 1 16 3 5 ALA C C 177.824 . 1 17 3 5 ALA CA C 52.347 . 1 18 3 5 ALA CB C 18.869 . 1 19 3 5 ALA N N 124.322 . 1 20 4 6 SER H H 8.158 . 1 21 4 6 SER HA H 4.358 . 1 22 4 6 SER HB3 H 3.800 . 2 23 4 6 SER C C 175.222 . 1 24 4 6 SER CA C 58.438 . 1 25 4 6 SER CB C 63.859 . 1 26 4 6 SER N N 115.338 . 1 27 5 7 GLY H H 8.265 . 1 28 5 7 GLY HA2 H 3.900 . 2 29 5 7 GLY C C 174.083 . 1 30 5 7 GLY CA C 45.113 . 1 31 5 7 GLY N N 111.360 . 1 32 6 8 GLU H H 8.100 . 1 33 6 8 GLU HA H 4.209 . 1 34 6 8 GLU HB2 H 1.810 . 2 35 6 8 GLU HB3 H 1.944 . 2 36 6 8 GLU HG3 H 2.119 . 2 37 6 8 GLU C C 176.354 . 1 38 6 8 GLU CA C 56.261 . 1 39 6 8 GLU CB C 29.830 . 1 40 6 8 GLU CG C 36.100 . 1 41 6 8 GLU N N 121.056 . 1 42 7 9 GLN H H 8.287 . 1 43 7 9 GLN HA H 4.247 . 1 44 7 9 GLN HB2 H 1.876 . 2 45 7 9 GLN HB3 H 1.983 . 2 46 7 9 GLN HG3 H 2.258 . 2 47 7 9 GLN C C 172.457 . 1 48 7 9 GLN CA C 55.269 . 1 49 7 9 GLN CB C 29.236 . 1 50 7 9 GLN CG C 33.606 . 1 51 7 9 GLN N N 122.164 . 1 52 8 10 ALA H H 8.368 . 1 53 8 10 ALA HA H 4.509 . 1 54 8 10 ALA HB H 1.284 . 1 55 8 10 ALA CA C 50.341 . 1 56 8 10 ALA CB C 18.140 . 1 57 8 10 ALA N N 128.028 . 1 58 9 11 PRO HA H 4.437 . 1 59 9 11 PRO HB2 H 1.940 . 2 60 9 11 PRO HB3 H 2.239 . 2 61 9 11 PRO HD2 H 3.590 . 2 62 9 11 PRO HD3 H 3.720 . 2 63 9 11 PRO HG2 H 1.980 . 2 64 9 11 PRO C C 176.381 . 1 65 9 11 PRO CA C 63.298 . 1 66 9 11 PRO CB C 31.776 . 1 67 9 11 PRO CD C 50.587 . 1 68 9 11 PRO CG C 27.233 . 1 69 10 12 CYS H H 8.056 . 1 70 10 12 CYS HA H 4.717 . 1 71 10 12 CYS HB2 H 2.950 . 2 72 10 12 CYS HB3 H 3.017 . 2 73 10 12 CYS C C 173.266 . 1 74 10 12 CYS CA C 57.398 . 1 75 10 12 CYS CB C 29.165 . 1 76 10 12 CYS N N 118.295 . 1 77 11 13 SER H H 9.815 . 1 78 11 13 SER HA H 5.227 . 1 79 11 13 SER HB2 H 3.640 . 2 80 11 13 SER HB3 H 3.865 . 2 81 11 13 SER C C 173.648 . 1 82 11 13 SER CA C 57.630 . 1 83 11 13 SER CB C 64.820 . 1 84 11 13 SER N N 122.365 . 1 85 12 14 VAL H H 9.352 . 1 86 12 14 VAL HA H 4.696 . 1 87 12 14 VAL HB H 1.729 . 1 88 12 14 VAL HG1 H 0.784 . 2 89 12 14 VAL HG2 H 0.681 . 2 90 12 14 VAL C C 173.875 . 1 91 12 14 VAL CA C 60.146 . 1 92 12 14 VAL CB C 34.499 . 1 93 12 14 VAL CG1 C 22.299 . 2 94 12 14 VAL CG2 C 21.231 . 2 95 12 14 VAL N N 126.378 . 1 96 13 15 TYR H H 8.745 . 1 97 13 15 TYR HB2 H 2.570 . 2 98 13 15 TYR HB3 H 2.890 . 2 99 13 15 TYR HD1 H 6.674 . 3 100 13 15 TYR HE1 H 6.856 . 3 101 13 15 TYR C C 173.345 . 1 102 13 15 TYR CA C 56.186 . 1 103 13 15 TYR CB C 40.858 . 1 104 13 15 TYR CD1 C 132.723 . 3 105 13 15 TYR CE1 C 119.259 . 3 106 13 15 TYR N N 129.472 . 1 107 14 16 PHE H H 7.370 . 1 108 14 16 PHE HA H 5.720 . 1 109 14 16 PHE HB2 H 2.340 . 2 110 14 16 PHE HD1 H 6.740 . 3 111 14 16 PHE HE1 H 6.560 . 3 112 14 16 PHE HZ H 6.236 . 1 113 14 16 PHE C C 174.058 . 1 114 14 16 PHE CA C 54.361 . 1 115 14 16 PHE CB C 40.461 . 1 116 14 16 PHE CD1 C 131.830 . 3 117 14 16 PHE CE1 C 130.906 . 3 118 14 16 PHE CZ C 129.110 . 1 119 14 16 PHE N N 128.263 . 1 120 15 17 CYS H H 8.147 . 1 121 15 17 CYS CA C 56.570 . 1 122 15 17 CYS CB C 29.690 . 1 123 15 17 CYS N N 126.188 . 1 124 16 18 GLY HA2 H 3.819 . 2 125 16 18 GLY C C 173.374 . 1 126 16 18 GLY CA C 45.510 . 1 127 17 19 SER H H 8.533 . 1 128 17 19 SER HA H 4.505 . 1 129 17 19 SER CA C 58.700 . 1 130 17 19 SER CB C 63.810 . 1 131 17 19 SER N N 117.300 . 1 132 18 20 ILE HA H 4.309 . 1 133 18 20 ILE HB H 1.918 . 1 134 18 20 ILE HD1 H 0.754 . . 135 18 20 ILE HG12 H 1.092 . 2 136 18 20 ILE HG13 H 1.347 . 2 137 18 20 ILE HG2 H 0.832 . . 138 18 20 ILE CA C 61.317 . 1 139 18 20 ILE CB C 38.302 . 1 140 18 20 ILE CD1 C 13.640 . 1 141 18 20 ILE CG1 C 27.244 . 1 142 18 20 ILE CG2 C 17.999 . 1 143 19 21 ARG HA H 4.172 . 1 144 19 21 ARG HB2 H 1.760 . 2 145 19 21 ARG HD2 H 3.123 . 2 146 19 21 ARG C C 177.118 . 1 147 19 21 ARG CA C 56.960 . 1 148 19 21 ARG CB C 29.568 . 1 149 19 21 ARG CD C 42.999 . 1 150 19 21 ARG CG C 27.580 . 1 151 20 22 GLY H H 8.685 . 1 152 20 22 GLY HA2 H 3.801 . 2 153 20 22 GLY HA3 H 3.923 . 2 154 20 22 GLY C C 174.814 . 1 155 20 22 GLY CA C 45.289 . 1 156 20 22 GLY N N 110.145 . 1 157 21 23 GLY H H 8.058 . 1 158 21 23 GLY HA2 H 3.998 . 2 159 21 23 GLY HA3 H 4.237 . 2 160 21 23 GLY C C 174.762 . 1 161 21 23 GLY CA C 45.025 . 1 162 21 23 GLY N N 109.327 . 1 163 22 24 ARG H H 8.376 . 1 164 22 24 ARG HA H 4.086 . 1 165 22 24 ARG HB2 H 1.829 . 2 166 22 24 ARG HB3 H 1.765 . 2 167 22 24 ARG HD2 H 3.100 . 2 168 22 24 ARG HG2 H 1.595 . 2 169 22 24 ARG HG3 H 1.558 . 2 170 22 24 ARG C C 178.178 . 1 171 22 24 ARG CA C 57.471 . 1 172 22 24 ARG CB C 29.653 . 1 173 22 24 ARG CD C 42.913 . 1 174 22 24 ARG CG C 26.845 . 1 175 22 24 ARG N N 120.861 . 1 176 23 25 GLU H H 8.831 . 1 177 23 25 GLU HA H 4.015 . 1 178 23 25 GLU HB2 H 1.908 . 2 179 23 25 GLU HG2 H 2.217 . 2 180 23 25 GLU HG3 H 2.400 . 2 181 23 25 GLU C C 178.005 . 1 182 23 25 GLU CA C 58.920 . 1 183 23 25 GLU CB C 28.592 . 1 184 23 25 GLU CG C 36.405 . 1 185 23 25 GLU N N 121.243 . 1 186 24 26 ASP H H 7.897 . 1 187 24 26 ASP HA H 4.516 . 1 188 24 26 ASP HB2 H 2.394 . 2 189 24 26 ASP C C 176.455 . 1 190 24 26 ASP CA C 55.122 . 1 191 24 26 ASP CB C 39.888 . 1 192 24 26 ASP N N 119.541 . 1 193 25 27 GLN H H 7.696 . 1 194 25 27 GLN HA H 3.704 . 1 195 25 27 GLN HB2 H 2.036 . 2 196 25 27 GLN HG2 H 2.300 . 2 197 25 27 GLN HG3 H 2.345 . 2 198 25 27 GLN C C 177.016 . 1 199 25 27 GLN CA C 59.501 . 1 200 25 27 GLN CB C 27.762 . 1 201 25 27 GLN CG C 33.639 . 1 202 25 27 GLN N N 119.471 . 1 203 26 28 ALA H H 8.227 . 1 204 26 28 ALA HA H 4.072 . 1 205 26 28 ALA HB H 1.365 . 1 206 26 28 ALA C C 180.567 . 1 207 26 28 ALA CA C 54.627 . 1 208 26 28 ALA CB C 17.355 . 1 209 26 28 ALA N N 122.362 . 1 210 27 29 LEU H H 7.533 . 1 211 27 29 LEU HA H 4.050 . 1 212 27 29 LEU HB2 H 1.672 . 2 213 27 29 LEU HB3 H 1.813 . 2 214 27 29 LEU HD1 H 1.017 . . 215 27 29 LEU HD2 H 0.978 . . 216 27 29 LEU HG H 1.577 . 1 217 27 29 LEU C C 178.752 . 1 218 27 29 LEU CA C 57.578 . 1 219 27 29 LEU CB C 40.734 . 1 220 27 29 LEU CD1 C 23.387 . 2 221 27 29 LEU CD2 C 25.256 . 2 222 27 29 LEU CG C 27.678 . 1 223 27 29 LEU N N 122.255 . 1 224 28 30 TYR H H 8.473 . 1 225 28 30 TYR HA H 4.049 . 1 226 28 30 TYR HB2 H 2.940 . 2 227 28 30 TYR HB3 H 3.150 . 2 228 28 30 TYR HD1 H 6.806 . 3 229 28 30 TYR HE1 H 6.566 . 3 230 28 30 TYR C C 177.736 . 1 231 28 30 TYR CA C 59.817 . 1 232 28 30 TYR CB C 36.140 . 1 233 28 30 TYR CD1 C 133.450 . 3 234 28 30 TYR CE1 C 118.226 . 3 235 28 30 TYR N N 120.403 . 1 236 29 31 ALA H H 8.008 . 1 237 29 31 ALA HA H 4.005 . 1 238 29 31 ALA HB H 1.434 . 1 239 29 31 ALA C C 180.879 . 1 240 29 31 ALA CA C 54.914 . 1 241 29 31 ALA CB C 17.375 . 1 242 29 31 ALA N N 120.771 . 1 243 30 32 ARG H H 7.596 . 1 244 30 32 ARG HA H 3.916 . 1 245 30 32 ARG HB2 H 1.910 . 2 246 30 32 ARG HB3 H 1.960 . 2 247 30 32 ARG HD2 H 3.000 . 2 248 30 32 ARG HD3 H 3.190 . 2 249 30 32 ARG HG2 H 1.540 . 2 250 30 32 ARG HG3 H 1.840 . 2 251 30 32 ARG C C 179.919 . 1 252 30 32 ARG CA C 59.014 . 1 253 30 32 ARG CB C 30.531 . 1 254 30 32 ARG CD C 44.405 . 1 255 30 32 ARG CG C 26.802 . 1 256 30 32 ARG N N 120.365 . 1 257 31 33 ILE H H 8.066 . 1 258 31 33 ILE HA H 3.120 . 1 259 31 33 ILE HB H 1.493 . 1 260 31 33 ILE HD1 H 0.666 . . 261 31 33 ILE HG12 H 0.425 . 2 262 31 33 ILE HG13 H 1.717 . 2 263 31 33 ILE HG2 H -0.000 . . 264 31 33 ILE C C 177.051 . 1 265 31 33 ILE CA C 65.757 . 1 266 31 33 ILE CB C 36.928 . 1 267 31 33 ILE CD1 C 13.327 . 1 268 31 33 ILE CG1 C 29.981 . 1 269 31 33 ILE CG2 C 16.146 . 1 270 31 33 ILE N N 121.608 . 1 271 32 34 VAL H H 8.148 . 1 272 32 34 VAL HA H 2.954 . 1 273 32 34 VAL HB H 1.787 . 1 274 32 34 VAL HG1 H 0.650 . 2 275 32 34 VAL HG2 H 0.600 . 2 276 32 34 VAL C C 177.159 . 1 277 32 34 VAL CA C 67.220 . 1 278 32 34 VAL CB C 31.039 . 1 279 32 34 VAL CG1 C 21.143 . 2 280 32 34 VAL CG2 C 23.710 . 2 281 32 34 VAL N N 119.318 . 1 282 33 35 SER H H 7.826 . 1 283 33 35 SER HA H 3.868 . 1 284 33 35 SER HB2 H 3.833 . 2 285 33 35 SER HB3 H 3.746 . 2 286 33 35 SER C C 176.779 . 1 287 33 35 SER CA C 62.000 . 1 288 33 35 SER CB C 62.789 . 1 289 33 35 SER N N 111.936 . 1 290 34 36 ARG H H 7.405 . 1 291 34 36 ARG HA H 4.070 . 1 292 34 36 ARG HD2 H 3.110 . 2 293 34 36 ARG C C 178.047 . 1 294 34 36 ARG CA C 56.108 . 1 295 34 36 ARG CB C 28.837 . 1 296 34 36 ARG N N 120.909 . 1 297 35 37 LEU H H 8.301 . 1 298 35 37 LEU HA H 3.620 . 1 299 35 37 LEU HD1 H 0.330 . . 300 35 37 LEU HD2 H 0.640 . . 301 35 37 LEU HG H 1.790 . 1 302 35 37 LEU C C 178.446 . 1 303 35 37 LEU CA C 57.640 . 1 304 35 37 LEU CB C 41.584 . 1 305 35 37 LEU CD1 C 25.870 . 2 306 35 37 LEU CD2 C 24.810 . 2 307 35 37 LEU CG C 25.427 . 1 308 35 37 LEU N N 118.567 . 1 309 36 38 ARG H H 7.379 . 1 310 36 38 ARG HA H 4.340 . 1 311 36 38 ARG HB2 H 1.724 . 2 312 36 38 ARG HB3 H 1.854 . 2 313 36 38 ARG HD2 H 3.034 . 2 314 36 38 ARG HG2 H 1.561 . 2 315 36 38 ARG HG3 H 1.866 . 2 316 36 38 ARG C C 177.895 . 1 317 36 38 ARG CA C 57.785 . 1 318 36 38 ARG CB C 29.775 . 1 319 36 38 ARG CD C 43.550 . 1 320 36 38 ARG CG C 28.513 . 1 321 36 38 ARG N N 115.352 . 1 322 37 39 ARG H H 7.240 . 1 323 37 39 ARG HA H 3.743 . 1 324 37 39 ARG HB2 H 1.141 . 2 325 37 39 ARG HB3 H 1.267 . 2 326 37 39 ARG HD2 H 2.728 . 2 327 37 39 ARG HG2 H 1.240 . 2 328 37 39 ARG HG3 H 1.100 . 2 329 37 39 ARG C C 176.988 . 1 330 37 39 ARG CA C 57.605 . 1 331 37 39 ARG CB C 28.925 . 1 332 37 39 ARG CD C 43.368 . 1 333 37 39 ARG CG C 26.726 . 1 334 37 39 ARG N N 117.410 . 1 335 38 40 TYR H H 7.296 . 1 336 38 40 TYR HA H 4.319 . 1 337 38 40 TYR HB2 H 1.700 . 2 338 38 40 TYR HB3 H 2.700 . 2 339 38 40 TYR HD1 H 6.578 . 3 340 38 40 TYR HE1 H 6.468 . 3 341 38 40 TYR C C 175.001 . 1 342 38 40 TYR CA C 57.730 . 1 343 38 40 TYR CB C 39.343 . 1 344 38 40 TYR CD1 C 133.852 . 3 345 38 40 TYR CE1 C 117.306 . 3 346 38 40 TYR N N 116.937 . 1 347 39 41 GLY H H 7.325 . 1 348 39 41 GLY HA2 H 3.953 . 2 349 39 41 GLY C C 171.302 . 1 350 39 41 GLY CA C 45.590 . 1 351 39 41 GLY N N 105.596 . 1 352 40 42 LYS H H 8.186 . 1 353 40 42 LYS HA H 4.205 . 1 354 40 42 LYS HB2 H 1.625 . 2 355 40 42 LYS HD2 H 1.531 . 2 356 40 42 LYS HE2 H 2.787 . 2 357 40 42 LYS HG2 H 1.268 . 2 358 40 42 LYS HG3 H 1.070 . 2 359 40 42 LYS C C 175.672 . 1 360 40 42 LYS CA C 55.241 . 1 361 40 42 LYS CB C 32.889 . 1 362 40 42 LYS CD C 28.990 . 1 363 40 42 LYS CE C 41.700 . 1 364 40 42 LYS CG C 24.800 . 1 365 40 42 LYS N N 120.341 . 1 366 41 43 VAL H H 8.610 . 1 367 41 43 VAL HA H 4.416 . 1 368 41 43 VAL HB H 1.816 . 1 369 41 43 VAL HG1 H 0.616 . 2 370 41 43 VAL HG2 H 0.640 . 2 371 41 43 VAL C C 175.997 . 1 372 41 43 VAL CA C 61.331 . 1 373 41 43 VAL CB C 30.573 . 1 374 41 43 VAL CG1 C 21.577 . 2 375 41 43 VAL CG2 C 22.590 . 2 376 41 43 VAL N N 127.312 . 1 377 42 44 LEU H H 8.894 . 1 378 42 44 LEU HA H 4.496 . 1 379 42 44 LEU HD1 H 0.780 . . 380 42 44 LEU HD2 H 0.480 . . 381 42 44 LEU HG H 1.330 . 1 382 42 44 LEU CA C 54.522 . 1 383 42 44 LEU CB C 40.980 . 1 384 42 44 LEU CD1 C 25.970 . 2 385 42 44 LEU CD2 C 21.950 . 2 386 42 44 LEU CG C 26.717 . 1 387 42 44 LEU N N 130.261 . 1 388 43 45 THR HA H 4.263 . 1 389 43 45 THR HB H 4.075 . 1 390 43 45 THR HG2 H 1.084 . . 391 43 45 THR CA C 61.033 . 1 392 43 45 THR CB C 69.768 . 1 393 43 45 THR CG2 C 21.355 . 1 394 44 46 GLU HB3 H 2.080 . 2 395 44 46 GLU HG3 H 2.416 . 2 396 44 46 GLU CA C 56.411 . 1 397 44 46 GLU CB C 29.827 . 1 398 44 46 GLU CG C 34.106 . 1 399 45 47 HIS HA H 4.549 . 1 400 45 47 HIS HB2 H 2.970 . 2 401 45 47 HIS HB3 H 3.095 . 2 402 45 47 HIS HE1 H 7.926 . 1 403 45 47 HIS C C 174.812 . 1 404 45 47 HIS CA C 56.107 . 1 405 45 47 HIS CB C 29.080 . 1 406 45 47 HIS CE1 C 138.420 . 1 407 46 48 VAL H H 7.826 . 1 408 46 48 VAL HA H 4.024 . 1 409 46 48 VAL HB H 1.989 . 1 410 46 48 VAL HG1 H 0.821 . 2 411 46 48 VAL HG2 H 0.821 . 2 412 46 48 VAL C C 175.697 . 1 413 46 48 VAL CA C 61.841 . 1 414 46 48 VAL CB C 32.600 . 1 415 46 48 VAL CG1 C 21.330 . 2 416 46 48 VAL CG2 C 20.320 . 2 417 46 48 VAL N N 121.117 . 1 418 47 49 ALA H H 8.237 . 1 419 47 49 ALA HA H 4.281 . 1 420 47 49 ALA HB H 1.280 . 1 421 47 49 ALA C C 177.173 . 1 422 47 49 ALA CA C 52.207 . 1 423 47 49 ALA CB C 19.064 . 1 424 47 49 ALA N N 126.817 . 1 425 48 50 ASP H H 8.029 . 1 426 48 50 ASP HA H 4.436 . 1 427 48 50 ASP HB2 H 2.521 . 2 428 48 50 ASP HB3 H 2.605 . 2 429 48 50 ASP C C 176.124 . 1 430 48 50 ASP CA C 54.447 . 1 431 48 50 ASP CB C 40.877 . 1 432 48 50 ASP N N 119.687 . 1 433 49 51 ALA H H 8.094 . 1 434 49 51 ALA HA H 4.134 . 1 435 49 51 ALA HB H 1.301 . 1 436 49 51 ALA C C 177.835 . 1 437 49 51 ALA CA C 52.900 . 1 438 49 51 ALA CB C 18.942 . 1 439 49 51 ALA N N 124.400 . 1 440 50 52 GLU H H 8.243 . 1 441 50 52 GLU HA H 4.152 . 1 442 50 52 GLU HB2 H 1.855 . 2 443 50 52 GLU HB3 H 1.983 . 2 444 50 52 GLU HG3 H 2.154 . 2 445 50 52 GLU C C 176.456 . 1 446 50 52 GLU CA C 56.480 . 1 447 50 52 GLU CB C 29.470 . 1 448 50 52 GLU CG C 36.171 . 1 449 50 52 GLU N N 118.917 . 1 450 51 53 LEU H H 7.839 . 1 451 51 53 LEU HA H 4.229 . 1 452 51 53 LEU HB2 H 1.527 . 2 453 51 53 LEU HB3 H 1.488 . 2 454 51 53 LEU HD1 H 0.823 . . 455 51 53 LEU HD2 H 0.779 . . 456 51 53 LEU HG H 1.502 . 1 457 51 53 LEU C C 177.058 . 1 458 51 53 LEU CA C 54.625 . 1 459 51 53 LEU CB C 42.125 . 1 460 51 53 LEU CD1 C 24.906 . 2 461 51 53 LEU CD2 C 23.386 . 2 462 51 53 LEU CG C 26.845 . 1 463 51 53 LEU N N 122.169 . 1 464 52 54 GLU H H 8.104 . 1 465 52 54 GLU HA H 4.470 . 1 466 52 54 GLU HB2 H 1.922 . 2 467 52 54 GLU HB3 H 1.802 . 2 468 52 54 GLU HG2 H 2.166 . 2 469 52 54 GLU CA C 54.286 . 1 470 52 54 GLU CB C 29.268 . 1 471 52 54 GLU CG C 36.181 . 1 472 52 54 GLU N N 123.040 . 1 473 53 55 PRO HA H 4.310 . 1 474 53 55 PRO HB2 H 1.803 . 2 475 53 55 PRO HB3 H 2.150 . 2 476 53 55 PRO HD2 H 3.569 . 2 477 53 55 PRO HD3 H 3.656 . 2 478 53 55 PRO HG2 H 1.872 . 2 479 53 55 PRO HG3 H 1.932 . 2 480 53 55 PRO C C 177.019 . 1 481 53 55 PRO CA C 63.075 . 1 482 53 55 PRO CB C 31.329 . 1 483 53 55 PRO CD C 50.524 . 1 484 53 55 PRO CG C 27.316 . 1 485 54 56 LEU H H 8.263 . 1 486 54 56 LEU HA H 4.237 . 1 487 54 56 LEU HB2 H 1.488 . 2 488 54 56 LEU HB3 H 1.558 . 2 489 54 56 LEU HD1 H 0.813 . . 490 54 56 LEU HD2 H 0.770 . . 491 54 56 LEU HG H 1.566 . 1 492 54 56 LEU C C 178.055 . 1 493 54 56 LEU CA C 55.018 . 1 494 54 56 LEU CB C 41.990 . 1 495 54 56 LEU CD1 C 24.906 . 2 496 54 56 LEU CD2 C 23.386 . 2 497 54 56 LEU CG C 26.862 . 1 498 54 56 LEU N N 122.728 . 1 499 55 57 GLY H H 8.231 . 1 500 55 57 GLY HA2 H 3.911 . 2 501 55 57 GLY HA3 H 3.808 . 2 502 55 57 GLY C C 174.379 . 1 503 55 57 GLY CA C 45.092 . 1 504 55 57 GLY N N 110.035 . 1 505 56 58 GLU H H 8.241 . 1 506 56 58 GLU HA H 4.136 . 1 507 56 58 GLU HB2 H 1.961 . 2 508 56 58 GLU HB3 H 1.827 . 2 509 56 58 GLU HG3 H 2.147 . 2 510 56 58 GLU C C 176.868 . 1 511 56 58 GLU CA C 56.734 . 1 512 56 58 GLU CB C 29.584 . 1 513 56 58 GLU CG C 36.168 . 1 514 56 58 GLU N N 121.173 . 1 515 57 59 GLU H H 8.419 . 1 516 57 59 GLU HA H 4.074 . 1 517 57 59 GLU HB2 H 1.925 . 2 518 57 59 GLU HB3 H 1.835 . 2 519 57 59 GLU HG3 H 2.148 . 2 520 57 59 GLU C C 176.502 . 1 521 57 59 GLU CA C 56.842 . 1 522 57 59 GLU CB C 29.267 . 1 523 57 59 GLU CG C 36.168 . 1 524 57 59 GLU N N 121.777 . 1 525 58 60 ALA H H 8.077 . 1 526 58 60 ALA HA H 4.134 . 1 527 58 60 ALA HB H 1.245 . 1 528 58 60 ALA CA C 52.432 . 1 529 58 60 ALA CB C 18.743 . 1 530 58 60 ALA N N 125.120 . 1 531 59 61 ALA H H 8.041 . 1 532 59 61 ALA HA H 4.131 . 1 533 59 61 ALA HB H 1.243 . 1 534 59 61 ALA C C 178.147 . 1 535 59 61 ALA CA C 52.586 . 1 536 59 61 ALA CB C 18.692 . 1 537 59 61 ALA N N 123.857 . 1 538 60 62 GLY H H 8.069 . 1 539 60 62 GLY HA2 H 3.810 . 2 540 60 62 GLY HA3 H 3.888 . 2 541 60 62 GLY C C 174.914 . 1 542 60 62 GLY CA C 45.320 . 1 543 60 62 GLY N N 107.924 . 1 544 61 63 GLY H H 8.118 . 1 545 61 63 GLY HA2 H 4.008 . 2 546 61 63 GLY HA3 H 3.893 . 2 547 61 63 GLY C C 174.743 . 1 548 61 63 GLY CA C 45.202 . 1 549 61 63 GLY N N 109.441 . 1 550 62 64 ASP H H 8.305 . 1 551 62 64 ASP HA H 4.240 . 1 552 62 64 ASP HB2 H 2.580 . 2 553 62 64 ASP HB3 H 2.270 . 2 554 62 64 ASP C C 177.571 . 1 555 62 64 ASP CA C 57.210 . 1 556 62 64 ASP CB C 40.142 . 1 557 62 64 ASP N N 121.568 . 1 558 63 65 GLN H H 8.337 . 1 559 63 65 GLN HA H 4.138 . 1 560 63 65 GLN HB2 H 1.958 . 2 561 63 65 GLN HB3 H 2.005 . 2 562 63 65 GLN HG2 H 2.260 . 2 563 63 65 GLN HG3 H 2.340 . 2 564 63 65 GLN C C 177.490 . 1 565 63 65 GLN CA C 58.643 . 1 566 63 65 GLN CB C 27.803 . 1 567 63 65 GLN CG C 33.884 . 1 568 63 65 GLN N N 119.700 . 1 569 64 66 PHE H H 7.658 . 1 570 64 66 PHE HA H 4.170 . 1 571 64 66 PHE HB2 H 3.010 . 2 572 64 66 PHE HD1 H 7.058 . 3 573 64 66 PHE HE1 H 7.152 . 3 574 64 66 PHE C C 176.872 . 1 575 64 66 PHE CA C 60.158 . 1 576 64 66 PHE CB C 38.490 . 1 577 64 66 PHE CD1 C 132.310 . 3 578 64 66 PHE CE1 C 131.789 . 3 579 64 66 PHE N N 121.036 . 1 580 65 67 ILE H H 7.646 . 1 581 65 67 ILE HA H 3.426 . 1 582 65 67 ILE HB H 1.777 . 1 583 65 67 ILE HD1 H 0.728 . . 584 65 67 ILE HG12 H 1.121 . 2 585 65 67 ILE HG13 H 1.529 . 2 586 65 67 ILE HG2 H 0.731 . . 587 65 67 ILE CA C 63.377 . 1 588 65 67 ILE CB C 37.057 . 1 589 65 67 ILE CD1 C 12.335 . 1 590 65 67 ILE CG1 C 28.264 . 1 591 65 67 ILE CG2 C 17.034 . 1 592 65 67 ILE N N 121.372 . 1 593 66 68 HIS H H 7.945 . 1 594 66 68 HIS HA H 4.005 . 1 595 66 68 HIS HD2 H 6.960 . 1 596 66 68 HIS HE1 H 7.610 . 1 597 66 68 HIS CA C 59.915 . 1 598 66 68 HIS CD2 C 120.287 . 1 599 66 68 HIS CE1 C 138.180 . 1 600 66 68 HIS N N 120.036 . 1 601 67 69 GLU HA H 3.677 . 1 602 67 69 GLU HB2 H 1.810 . 2 603 67 69 GLU HB3 H 1.940 . 2 604 67 69 GLU HG2 H 2.110 . 2 605 67 69 GLU CA C 58.490 . 1 606 67 69 GLU CB C 29.290 . 1 607 67 69 GLU CG C 35.990 . 1 608 68 70 GLN H H 8.017 . 1 609 68 70 GLN HA H 3.426 . 1 610 68 70 GLN C C 179.280 . 1 611 68 70 GLN CA C 57.561 . 1 612 68 70 GLN CB C 28.530 . 1 613 68 70 GLN CG C 34.458 . 1 614 68 70 GLN N N 120.410 . 1 615 69 71 ASP HA H 4.440 . 1 616 69 71 ASP C C 177.402 . 1 617 69 71 ASP CA C 56.290 . 1 618 70 72 LEU H H 7.952 . 1 619 70 72 LEU HA H 3.775 . 1 620 70 72 LEU HB2 H 1.374 . 2 621 70 72 LEU HB3 H 1.327 . 2 622 70 72 LEU HD1 H 0.545 . . 623 70 72 LEU HD2 H 0.491 . . 624 70 72 LEU HG H 1.425 . 1 625 70 72 LEU C C 178.316 . 1 626 70 72 LEU CA C 56.101 . 1 627 70 72 LEU CB C 39.872 . 1 628 70 72 LEU CD1 C 23.609 . 2 629 70 72 LEU CD2 C 22.791 . 2 630 70 72 LEU CG C 27.269 . 1 631 70 72 LEU N N 120.832 . 1 632 71 73 ASN H H 7.723 . 1 633 71 73 ASN HA H 4.270 . 1 634 71 73 ASN HB2 H 2.492 . 2 635 71 73 ASN HB3 H 2.586 . 2 636 71 73 ASN C C 178.193 . 1 637 71 73 ASN CA C 55.970 . 1 638 71 73 ASN CB C 37.640 . 1 639 71 73 ASN N N 119.295 . 1 640 72 74 TRP H H 7.811 . 1 641 72 74 TRP HA H 4.500 . 1 642 72 74 TRP HD1 H 7.017 . 1 643 72 74 TRP HE1 H 9.889 . 1 644 72 74 TRP HE3 H 7.427 . 1 645 72 74 TRP HH2 H 6.968 . 1 646 72 74 TRP HZ2 H 7.278 . 1 647 72 74 TRP HZ3 H 6.910 . 1 648 72 74 TRP CA C 58.480 . 1 649 72 74 TRP CB C 28.920 . 1 650 72 74 TRP CD1 C 124.727 . 1 651 72 74 TRP CE3 C 121.334 . 1 652 72 74 TRP CH2 C 125.366 . 1 653 72 74 TRP CZ2 C 114.648 . 1 654 72 74 TRP CZ3 C 122.352 . 1 655 72 74 TRP N N 121.490 . 1 656 72 74 TRP NE1 N 128.533 . 1 657 73 75 LEU H H 8.412 . 1 658 73 75 LEU HA H 3.290 . 1 659 73 75 LEU HB2 H 1.170 . 2 660 73 75 LEU HD1 H 0.279 . . 661 73 75 LEU HD2 H 0.265 . . 662 73 75 LEU HG H 0.968 . 1 663 73 75 LEU C C 178.562 . 1 664 73 75 LEU CA C 58.226 . 1 665 73 75 LEU CB C 41.200 . 1 666 73 75 LEU CD1 C 24.620 . 2 667 73 75 LEU CD2 C 25.166 . 2 668 73 75 LEU CG C 26.733 . 1 669 73 75 LEU N N 121.065 . 1 670 74 76 GLN H H 7.648 . 1 671 74 76 GLN HA H 3.657 . 1 672 74 76 GLN HB2 H 2.020 . 2 673 74 76 GLN HB3 H 2.090 . 2 674 74 76 GLN HG2 H 2.214 . 2 675 74 76 GLN HG3 H 2.397 . 2 676 74 76 GLN C C 178.616 . 1 677 74 76 GLN CA C 58.777 . 1 678 74 76 GLN CB C 28.163 . 1 679 74 76 GLN CG C 34.567 . 1 680 74 76 GLN N N 113.985 . 1 681 75 77 GLN H H 7.465 . 1 682 75 77 GLN HA H 4.134 . 1 683 75 77 GLN HB3 H 2.115 . 2 684 75 77 GLN HG2 H 2.408 . 2 685 75 77 GLN C C 176.223 . 1 686 75 77 GLN CA C 56.203 . 1 687 75 77 GLN CB C 29.524 . 1 688 75 77 GLN CG C 34.000 . 1 689 75 77 GLN N N 117.481 . 1 690 76 78 ALA H H 7.420 . 1 691 76 78 ALA HA H 3.864 . 1 692 76 78 ALA HB H 1.357 . 1 693 76 78 ALA C C 176.733 . 1 694 76 78 ALA CA C 52.529 . 1 695 76 78 ALA CB C 20.124 . 1 696 76 78 ALA N N 122.682 . 1 697 77 79 ASP H H 9.028 . 1 698 77 79 ASP HA H 4.673 . 1 699 77 79 ASP HB2 H 2.876 . 2 700 77 79 ASP HB3 H 2.940 . 2 701 77 79 ASP C C 175.740 . 1 702 77 79 ASP CA C 56.383 . 1 703 77 79 ASP CB C 42.826 . 1 704 77 79 ASP N N 119.887 . 1 705 78 80 VAL H H 7.379 . 1 706 78 80 VAL HA H 4.340 . 1 707 78 80 VAL HB H 1.766 . 1 708 78 80 VAL HG1 H 0.660 . 2 709 78 80 VAL HG2 H 0.540 . 2 710 78 80 VAL C C 175.321 . 1 711 78 80 VAL CA C 60.011 . 1 712 78 80 VAL CB C 35.362 . 1 713 78 80 VAL CG1 C 20.676 . 2 714 78 80 VAL CG2 C 21.226 . 2 715 78 80 VAL N N 114.152 . 1 716 79 81 VAL H H 8.350 . 1 717 79 81 VAL HA H 4.799 . 1 718 79 81 VAL HB H 1.781 . 1 719 79 81 VAL HG1 H 0.518 . 2 720 79 81 VAL HG2 H 0.581 . 2 721 79 81 VAL C C 173.095 . 1 722 79 81 VAL CA C 60.775 . 1 723 79 81 VAL CB C 32.824 . 1 724 79 81 VAL CG1 C 20.228 . 2 725 79 81 VAL CG2 C 21.215 . 2 726 79 81 VAL N N 128.429 . 1 727 80 82 VAL H H 8.947 . 1 728 80 82 VAL HA H 4.947 . 1 729 80 82 VAL HB H 1.688 . 1 730 80 82 VAL HG1 H 0.630 . 2 731 80 82 VAL HG2 H 0.666 . 2 732 80 82 VAL C C 173.522 . 1 733 80 82 VAL CA C 59.684 . 1 734 80 82 VAL CB C 33.702 . 1 735 80 82 VAL CG1 C 20.646 . 2 736 80 82 VAL CG2 C 21.202 . 2 737 80 82 VAL N N 126.957 . 1 738 81 83 ALA H H 9.011 . 1 739 81 83 ALA HA H 4.938 . 1 740 81 83 ALA HB H 1.078 . 1 741 81 83 ALA C C 130.330 . 1 742 81 83 ALA CA C 49.490 . 1 743 81 83 ALA CB C 23.628 . 1 744 81 83 ALA N N 128.705 . 1 745 82 84 GLU H H 8.922 . 1 746 82 84 GLU HA H 4.937 . 1 747 82 84 GLU C C 177.673 . 1 748 82 84 GLU CA C 56.714 . 1 749 82 84 GLU CB C 29.882 . 1 750 82 84 GLU N N 130.330 . 1 751 83 85 VAL H H 8.427 . 1 752 83 85 VAL HA H 4.435 . 1 753 83 85 VAL HB H 2.717 . 1 754 83 85 VAL HG1 H 0.690 . 2 755 83 85 VAL HG2 H 0.710 . 2 756 83 85 VAL C C 174.252 . 1 757 83 85 VAL CA C 59.896 . 1 758 83 85 VAL CB C 29.968 . 1 759 83 85 VAL CG1 C 22.400 . 2 760 83 85 VAL CG2 C 20.390 . 2 761 83 85 VAL N N 114.212 . 1 762 84 86 THR H H 9.347 . 1 763 84 86 THR HA H 4.146 . 1 764 84 86 THR HB H 4.323 . 1 765 84 86 THR HG2 H 1.066 . . 766 84 86 THR C C 175.751 . 1 767 84 86 THR CA C 67.629 . 1 768 84 86 THR CB C 66.819 . 1 769 84 86 THR CG2 C 22.202 . 1 770 84 86 THR N N 121.640 . 1 771 85 87 GLN H H 8.114 . 1 772 85 87 GLN HA H 4.736 . 1 773 85 87 GLN HB2 H 1.978 . 2 774 85 87 GLN HG2 H 2.358 . 2 775 85 87 GLN HG3 H 2.287 . 2 776 85 87 GLN CA C 51.898 . 1 777 85 87 GLN CB C 27.942 . 1 778 85 87 GLN CG C 32.422 . 1 779 85 87 GLN N N 120.367 . 1 780 86 88 PRO HA H 4.061 . 1 781 86 88 PRO HB2 H 2.174 . 2 782 86 88 PRO HB3 H 2.384 . 2 783 86 88 PRO HD2 H 3.690 . 2 784 86 88 PRO HD3 H 4.013 . 2 785 86 88 PRO HG2 H 2.048 . 2 786 86 88 PRO HG3 H 1.771 . 2 787 86 88 PRO C C 176.436 . 1 788 86 88 PRO CA C 63.422 . 1 789 86 88 PRO CB C 31.925 . 1 790 86 88 PRO CD C 50.510 . 1 791 87 89 SER H H 6.044 . 1 792 87 89 SER HA H 4.630 . 1 793 87 89 SER HB2 H 4.097 . 2 794 87 89 SER HB3 H 4.046 . 2 795 87 89 SER C C 175.612 . 1 796 87 89 SER CA C 56.800 . 1 797 87 89 SER CB C 64.196 . 1 798 87 89 SER N N 115.721 . 1 799 88 90 LEU H H 9.702 . 1 800 88 90 LEU HA H 4.270 . 1 801 88 90 LEU HD1 H 1.050 . . 802 88 90 LEU HD2 H 1.120 . . 803 88 90 LEU HG H 1.650 . 1 804 88 90 LEU C C 179.173 . 1 805 88 90 LEU CA C 57.402 . 1 806 88 90 LEU CB C 43.642 . 1 807 88 90 LEU CD1 C 27.800 . 2 808 88 90 LEU CD2 C 24.210 . 2 809 88 90 LEU N N 130.488 . 1 810 89 91 GLY H H 8.354 . 1 811 89 91 GLY HA2 H 3.680 . 2 812 89 91 GLY HA3 H 3.584 . 2 813 89 91 GLY C C 175.106 . 1 814 89 91 GLY CA C 47.770 . 1 815 89 91 GLY N N 107.522 . 1 816 90 92 VAL H H 7.906 . 1 817 90 92 VAL HA H 3.940 . 1 818 90 92 VAL HB H 1.733 . 1 819 90 92 VAL HG1 H 0.733 . 2 820 90 92 VAL HG2 H 0.958 . 2 821 90 92 VAL C C 178.467 . 1 822 90 92 VAL CA C 65.379 . 1 823 90 92 VAL CB C 31.785 . 1 824 90 92 VAL CG1 C 21.424 . 2 825 90 92 VAL CG2 C 22.373 . 2 826 90 92 VAL N N 121.741 . 1 827 91 93 GLY H H 7.595 . 1 828 91 93 GLY HA2 H 3.628 . 2 829 91 93 GLY HA3 H 3.415 . 2 830 91 93 GLY C C 174.022 . 1 831 91 93 GLY CA C 48.319 . 1 832 91 93 GLY N N 104.629 . 1 833 92 94 TYR H H 8.372 . 1 834 92 94 TYR HA H 4.046 . 1 835 92 94 TYR HD1 H 6.721 . 3 836 92 94 TYR HE1 H 6.602 . 3 837 92 94 TYR C C 177.458 . 1 838 92 94 TYR CA C 61.760 . 1 839 92 94 TYR CB C 38.431 . 1 840 92 94 TYR CD1 C 132.770 . 3 841 92 94 TYR CE1 C 119.745 . 3 842 92 94 TYR N N 123.383 . 1 843 93 95 GLU H H 8.424 . 1 844 93 95 GLU HA H 3.421 . 1 845 93 95 GLU C C 178.590 . 1 846 93 95 GLU CA C 60.211 . 1 847 93 95 GLU CB C 29.025 . 1 848 93 95 GLU N N 120.181 . 1 849 94 96 LEU H H 8.210 . 1 850 94 96 LEU HA H 3.830 . 1 851 94 96 LEU HD1 H 0.659 . . 852 94 96 LEU HD2 H 0.420 . . 853 94 96 LEU HG H 1.835 . 1 854 94 96 LEU C C 179.032 . 1 855 94 96 LEU CA C 57.683 . 1 856 94 96 LEU CB C 41.883 . 1 857 94 96 LEU CD1 C 26.902 . 2 858 94 96 LEU CD2 C 23.460 . 2 859 94 96 LEU CG C 25.920 . 1 860 94 96 LEU N N 118.091 . 1 861 95 97 GLY H H 8.773 . 1 862 95 97 GLY C C 175.344 . 1 863 95 97 GLY CA C 47.308 . 1 864 95 97 GLY N N 108.085 . 1 865 96 98 ARG H H 8.100 . 1 866 96 98 ARG C C 179.692 . 1 867 96 98 ARG CA C 56.308 . 1 868 96 98 ARG CB C 26.854 . 1 869 96 98 ARG N N 118.156 . 1 870 97 99 ALA H H 8.498 . 1 871 97 99 ALA HA H 3.640 . 1 872 97 99 ALA HB H 1.288 . 1 873 97 99 ALA C C 179.650 . 1 874 97 99 ALA CA C 55.166 . 1 875 97 99 ALA CB C 18.604 . 1 876 97 99 ALA N N 122.310 . 1 877 98 100 VAL H H 8.597 . 1 878 98 100 VAL HA H 3.798 . 1 879 98 100 VAL HB H 2.042 . 1 880 98 100 VAL HG1 H 1.000 . 2 881 98 100 VAL HG2 H 1.360 . 2 882 98 100 VAL C C 180.464 . 1 883 98 100 VAL CA C 65.664 . 1 884 98 100 VAL CB C 31.065 . 1 885 98 100 VAL CG1 C 21.042 . 2 886 98 100 VAL CG2 C 24.268 . 2 887 98 100 VAL N N 120.603 . 1 888 99 101 ALA H H 7.280 . 1 889 99 101 ALA HA H 3.963 . 1 890 99 101 ALA HB H 1.313 . 1 891 99 101 ALA C C 179.314 . 1 892 99 101 ALA CA C 54.367 . 1 893 99 101 ALA CB C 18.139 . 1 894 99 101 ALA N N 124.450 . 1 895 100 102 LEU H H 7.200 . 1 896 100 102 LEU HA H 4.192 . 1 897 100 102 LEU HB2 H 1.499 . 2 898 100 102 LEU HB3 H 1.724 . 2 899 100 102 LEU HD1 H 0.534 . . 900 100 102 LEU HD2 H 0.809 . . 901 100 102 LEU HG H 1.590 . 1 902 100 102 LEU C C 177.306 . 1 903 100 102 LEU CA C 54.808 . 1 904 100 102 LEU CB C 42.880 . 1 905 100 102 LEU CD1 C 25.585 . 2 906 100 102 LEU CD2 C 22.291 . 2 907 100 102 LEU CG C 26.480 . 1 908 100 102 LEU N N 116.834 . 1 909 101 103 GLY H H 7.891 . 1 910 101 103 GLY HA2 H 3.941 . 2 911 101 103 GLY HA3 H 3.831 . 2 912 101 103 GLY C C 175.137 . 1 913 101 103 GLY CA C 45.673 . 1 914 101 103 GLY N N 109.395 . 1 915 102 104 LYS H H 7.337 . 1 916 102 104 LYS HA H 4.402 . 1 917 102 104 LYS HD2 H 1.320 . 2 918 102 104 LYS HD3 H 1.542 . 2 919 102 104 LYS HE2 H 2.668 . 2 920 102 104 LYS HE3 H 3.350 . 2 921 102 104 LYS CA C 52.136 . 1 922 102 104 LYS CB C 31.045 . 1 923 102 104 LYS CD C 27.356 . 1 924 102 104 LYS CE C 42.440 . 1 925 102 104 LYS N N 118.954 . 1 926 103 105 PRO HA H 4.781 . 1 927 103 105 PRO HB2 H 1.885 . 2 928 103 105 PRO HB3 H 2.143 . 2 929 103 105 PRO HD2 H 3.800 . 2 930 103 105 PRO HG2 H 2.004 . 2 931 103 105 PRO HG3 H 2.340 . 2 932 103 105 PRO CA C 62.791 . 1 933 103 105 PRO CB C 30.405 . 1 934 103 105 PRO CD C 50.530 . 1 935 103 105 PRO CG C 27.909 . 1 936 104 106 ILE H H 8.261 . 1 937 104 106 ILE HA H 4.680 . 1 938 104 106 ILE HB H 0.830 . 1 939 104 106 ILE HD1 H 0.559 . . 940 104 106 ILE HG12 H 0.247 . 2 941 104 106 ILE HG13 H 1.408 . 2 942 104 106 ILE HG2 H -0.198 . . 943 104 106 ILE C C 175.543 . 1 944 104 106 ILE CA C 59.362 . 1 945 104 106 ILE CB C 43.738 . 1 946 104 106 ILE CD1 C 16.485 . 1 947 104 106 ILE CG1 C 27.887 . 1 948 104 106 ILE CG2 C 18.782 . 1 949 104 106 ILE N N 123.509 . 1 950 105 107 LEU H H 8.584 . 1 951 105 107 LEU HA H 4.243 . 1 952 105 107 LEU HB2 H 1.823 . 2 953 105 107 LEU HB3 H 1.978 . 2 954 105 107 LEU HD1 H -0.666 . . 955 105 107 LEU HD2 H -0.340 . . 956 105 107 LEU HG H 0.455 . 1 957 105 107 LEU C C 174.204 . 1 958 105 107 LEU CA C 52.863 . 1 959 105 107 LEU CB C 42.408 . 1 960 105 107 LEU CD1 C 20.300 . 2 961 105 107 LEU CD2 C 23.660 . 2 962 105 107 LEU CG C 26.722 . 1 963 105 107 LEU N N 131.882 . 1 964 106 108 CYS H H 8.679 . 1 965 106 108 CYS HA H 5.280 . 1 966 106 108 CYS HB2 H 2.849 . 2 967 106 108 CYS HB3 H 2.351 . 2 968 106 108 CYS HG H 1.003 . 1 969 106 108 CYS C C 173.134 . 1 970 106 108 CYS CA C 57.290 . 1 971 106 108 CYS CB C 29.559 . 1 972 106 108 CYS N N 122.904 . 1 973 107 109 LEU H H 8.987 . 1 974 107 109 LEU HA H 5.120 . 1 975 107 109 LEU HD1 H 0.310 . . 976 107 109 LEU HD2 H 0.470 . . 977 107 109 LEU HG H 1.132 . 1 978 107 109 LEU C C 174.500 . 1 979 107 109 LEU CA C 53.274 . 1 980 107 109 LEU CB C 43.450 . 1 981 107 109 LEU CD1 C 25.310 . 2 982 107 109 LEU CD2 C 22.720 . 2 983 107 109 LEU CG C 26.537 . 1 984 107 109 LEU N N 124.653 . 1 985 108 110 PHE H H 8.981 . 1 986 108 110 PHE HA H 4.846 . 1 987 108 110 PHE HB2 H 2.500 . 2 988 108 110 PHE HB3 H 2.354 . 2 989 108 110 PHE HD1 H 7.110 . 3 990 108 110 PHE HE1 H 7.170 . 3 991 108 110 PHE C C 172.231 . 1 992 108 110 PHE CA C 55.963 . 1 993 108 110 PHE CB C 43.270 . 1 994 108 110 PHE CD1 C 130.320 . 3 995 108 110 PHE CE1 C 132.180 . 3 996 108 110 PHE N N 125.052 . 1 997 109 111 ARG H H 7.461 . 1 998 109 111 ARG HA H 4.804 . 1 999 109 111 ARG HB3 H 1.398 . 2 1000 109 111 ARG HD2 H 2.900 . 2 1001 109 111 ARG HD3 H 2.866 . 2 1002 109 111 ARG CA C 51.953 . 1 1003 109 111 ARG CB C 30.008 . 1 1004 109 111 ARG CD C 43.300 . 1 1005 109 111 ARG CG C 26.918 . 1 1006 109 111 ARG N N 128.034 . 1 1007 110 112 PRO C C 178.675 . 1 1008 110 112 PRO CA C 64.024 . 1 1009 110 112 PRO CB C 31.416 . 1 1010 111 113 GLN H H 8.188 . 1 1011 111 113 GLN HA H 4.056 . 1 1012 111 113 GLN HB2 H 1.892 . 2 1013 111 113 GLN HB3 H 1.930 . 2 1014 111 113 GLN HG3 H 2.300 . 2 1015 111 113 GLN C C 175.936 . 1 1016 111 113 GLN CA C 57.144 . 1 1017 111 113 GLN CB C 28.033 . 1 1018 111 113 GLN CG C 33.848 . 1 1019 111 113 GLN N N 118.835 . 1 1020 112 114 SER H H 7.730 . 1 1021 112 114 SER HA H 4.037 . 1 1022 112 114 SER HB2 H 3.726 . 2 1023 112 114 SER HB3 H 3.690 . 2 1024 112 114 SER C C 175.750 . 1 1025 112 114 SER CA C 60.154 . 1 1026 112 114 SER CB C 64.282 . 1 1027 112 114 SER N N 114.887 . 1 1028 113 115 GLY H H 8.005 . 1 1029 113 115 GLY HA2 H 3.712 . 2 1030 113 115 GLY HA3 H 4.130 . 2 1031 113 115 GLY C C 173.945 . 1 1032 113 115 GLY CA C 45.233 . 1 1033 113 115 GLY N N 110.740 . 1 1034 114 116 ARG H H 7.665 . 1 1035 114 116 ARG HA H 4.449 . 1 1036 114 116 ARG HB2 H 1.836 . 2 1037 114 116 ARG HD3 H 3.239 . 2 1038 114 116 ARG HG2 H 1.584 . 2 1039 114 116 ARG C C 175.370 . 1 1040 114 116 ARG CA C 55.080 . 1 1041 114 116 ARG CB C 31.215 . 1 1042 114 116 ARG CD C 43.352 . 1 1043 114 116 ARG CG C 27.669 . 1 1044 114 116 ARG N N 119.983 . 1 1045 115 117 VAL H H 8.409 . 1 1046 115 117 VAL HA H 4.184 . 1 1047 115 117 VAL HB H 1.835 . 1 1048 115 117 VAL HG1 H 0.792 . 2 1049 115 117 VAL HG2 H 0.837 . 2 1050 115 117 VAL C C 175.980 . 1 1051 115 117 VAL CA C 61.167 . 1 1052 115 117 VAL CB C 32.931 . 1 1053 115 117 VAL CG1 C 20.969 . 2 1054 115 117 VAL CG2 C 20.543 . 2 1055 115 117 VAL N N 122.240 . 1 1056 116 118 LEU H H 8.227 . 1 1057 116 118 LEU HA H 3.720 . 1 1058 116 118 LEU HB2 H -0.557 . 2 1059 116 118 LEU HD1 H 0.535 . . 1060 116 118 LEU HD2 H 0.177 . . 1061 116 118 LEU HG H 1.378 . 1 1062 116 118 LEU C C 175.623 . 1 1063 116 118 LEU CA C 54.555 . 1 1064 116 118 LEU CB C 39.292 . 1 1065 116 118 LEU CD1 C 22.980 . 2 1066 116 118 LEU CD2 C 26.063 . 2 1067 116 118 LEU CG C 25.300 . 1 1068 116 118 LEU N N 131.481 . 1 1069 117 119 SER H H 7.780 . 1 1070 117 119 SER HA H 4.060 . 1 1071 117 119 SER HB2 H 4.190 . 2 1072 117 119 SER C C 175.782 . 1 1073 117 119 SER CA C 58.530 . 1 1074 117 119 SER CB C 64.785 . 1 1075 117 119 SER N N 118.658 . 1 1076 118 120 ALA H H 8.955 . 1 1077 118 120 ALA HA H 3.846 . 1 1078 118 120 ALA HB H 1.329 . 1 1079 118 120 ALA C C 179.731 . 1 1080 118 120 ALA CA C 54.927 . 1 1081 118 120 ALA CB C 18.627 . 1 1082 118 120 ALA N N 134.119 . 1 1083 119 121 MET H H 7.718 . 1 1084 119 121 MET HA H 4.130 . 1 1085 119 121 MET HB2 H 1.740 . 2 1086 119 121 MET HE H 1.960 . . 1087 119 121 MET HG2 H 2.480 . 2 1088 119 121 MET HG3 H 2.405 . 2 1089 119 121 MET C C 175.610 . 1 1090 119 121 MET CA C 55.968 . 1 1091 119 121 MET CB C 30.814 . 1 1092 119 121 MET CE C 16.700 . 1 1093 119 121 MET CG C 32.130 . 1 1094 119 121 MET N N 115.424 . 1 1095 120 122 ILE H H 6.451 . 1 1096 120 122 ILE HA H 3.392 . 1 1097 120 122 ILE HB H 1.781 . 1 1098 120 122 ILE HD1 H 0.305 . . 1099 120 122 ILE HG12 H 1.059 . 2 1100 120 122 ILE HG13 H 1.320 . 2 1101 120 122 ILE HG2 H 0.773 . . 1102 120 122 ILE C C 177.108 . 1 1103 120 122 ILE CA C 59.650 . 1 1104 120 122 ILE CB C 34.640 . 1 1105 120 122 ILE CD1 C 7.376 . 1 1106 120 122 ILE CG1 C 27.937 . 1 1107 120 122 ILE CG2 C 18.208 . 1 1108 120 122 ILE N N 113.418 . 1 1109 121 123 ARG H H 7.540 . 1 1110 121 123 ARG HA H 3.551 . 1 1111 121 123 ARG HB2 H 1.543 . 2 1112 121 123 ARG HD2 H 2.973 . 2 1113 121 123 ARG HG2 H 1.410 . 2 1114 121 123 ARG C C 179.642 . 1 1115 121 123 ARG CA C 59.242 . 1 1116 121 123 ARG CB C 29.087 . 1 1117 121 123 ARG CD C 42.432 . 1 1118 121 123 ARG CG C 27.097 . 1 1119 121 123 ARG N N 116.248 . 1 1120 122 124 GLY H H 8.086 . 1 1121 122 124 GLY C C 172.357 . 1 1122 122 124 GLY CA C 44.836 . 1 1123 122 124 GLY N N 104.381 . 1 1124 123 125 ALA H H 6.411 . 1 1125 123 125 ALA HA H 2.441 . 1 1126 123 125 ALA HB H 0.146 . 1 1127 123 125 ALA C C 176.908 . 1 1128 123 125 ALA CA C 51.593 . 1 1129 123 125 ALA CB C 16.997 . 1 1130 123 125 ALA N N 123.136 . 1 1131 124 126 ALA H H 6.190 . 1 1132 124 126 ALA HA H 3.829 . 1 1133 124 126 ALA HB H 1.283 . 1 1134 124 126 ALA C C 177.535 . 1 1135 124 126 ALA CA C 52.403 . 1 1136 124 126 ALA CB C 18.375 . 1 1137 124 126 ALA N N 117.999 . 1 1138 125 127 ASP H H 8.877 . 1 1139 125 127 ASP HA H 4.665 . 1 1140 125 127 ASP HB2 H 2.523 . 2 1141 125 127 ASP HB3 H 2.908 . 2 1142 125 127 ASP C C 177.795 . 1 1143 125 127 ASP CA C 52.855 . 1 1144 125 127 ASP CB C 41.814 . 1 1145 125 127 ASP N N 121.828 . 1 1146 126 128 GLY H H 7.954 . 1 1147 126 128 GLY HA2 H 3.830 . 2 1148 126 128 GLY HA3 H 4.249 . 2 1149 126 128 GLY C C 173.822 . 1 1150 126 128 GLY CA C 45.549 . 1 1151 126 128 GLY N N 108.814 . 1 1152 127 129 SER H H 8.547 . 1 1153 127 129 SER HA H 4.486 . 1 1154 127 129 SER HB2 H 3.693 . 2 1155 127 129 SER C C 174.178 . 1 1156 127 129 SER CA C 58.653 . 1 1157 127 129 SER CB C 63.316 . 1 1158 127 129 SER N N 115.599 . 1 1159 128 130 ARG H H 8.795 . 1 1160 128 130 ARG HA H 4.160 . 1 1161 128 130 ARG HB3 H 1.973 . 2 1162 128 130 ARG HD3 H 3.090 . 2 1163 128 130 ARG HG2 H 1.659 . 2 1164 128 130 ARG C C 175.518 . 1 1165 128 130 ARG CA C 58.479 . 1 1166 128 130 ARG CB C 29.952 . 1 1167 128 130 ARG CD C 42.740 . 1 1168 128 130 ARG CG C 27.433 . 1 1169 128 130 ARG N N 127.611 . 1 1170 129 131 PHE H H 9.315 . 1 1171 129 131 PHE HA H 4.878 . 1 1172 129 131 PHE HB2 H 2.580 . 2 1173 129 131 PHE HB3 H 3.475 . 2 1174 129 131 PHE HD1 H 6.725 . 3 1175 129 131 PHE HE1 H 6.880 . 3 1176 129 131 PHE HZ H 6.647 . 1 1177 129 131 PHE C C 175.058 . 1 1178 129 131 PHE CA C 55.953 . 1 1179 129 131 PHE CB C 40.189 . 1 1180 129 131 PHE CD1 C 131.009 . 3 1181 129 131 PHE CE1 C 132.009 . 3 1182 129 131 PHE CZ C 128.891 . 1 1183 129 131 PHE N N 126.219 . 1 1184 130 132 GLN H H 8.160 . 1 1185 130 132 GLN HA H 5.013 . 1 1186 130 132 GLN HB3 H 1.819 . 2 1187 130 132 GLN HG2 H 1.942 . 2 1188 130 132 GLN HG3 H 2.155 . 2 1189 130 132 GLN CA C 54.498 . 1 1190 130 132 GLN CB C 32.106 . 1 1191 130 132 GLN CG C 34.634 . 1 1192 130 132 GLN N N 125.589 . 1 1193 131 133 VAL H H 8.689 . 1 1194 131 133 VAL HA H 4.529 . 1 1195 131 133 VAL HB H 1.882 . 1 1196 131 133 VAL HG1 H 0.540 . 2 1197 131 133 VAL HG2 H 0.790 . 2 1198 131 133 VAL C C 174.441 . 1 1199 131 133 VAL CA C 60.758 . 1 1200 131 133 VAL CB C 32.417 . 1 1201 131 133 VAL CG1 C 21.009 . 2 1202 131 133 VAL CG2 C 21.620 . 2 1203 131 133 VAL N N 122.441 . 1 1204 132 134 TRP H H 9.256 . 1 1205 132 134 TRP HA H 5.213 . 1 1206 132 134 TRP HB3 H 3.006 . 2 1207 132 134 TRP HD1 H 6.954 . 1 1208 132 134 TRP HE1 H 9.848 . 1 1209 132 134 TRP HE3 H 7.264 . 1 1210 132 134 TRP HH2 H 6.889 . 1 1211 132 134 TRP HZ2 H 7.335 . 1 1212 132 134 TRP HZ3 H 7.481 . 1 1213 132 134 TRP C C 174.575 . 1 1214 132 134 TRP CA C 53.859 . 1 1215 132 134 TRP CB C 31.311 . 1 1216 132 134 TRP CD1 C 123.748 . 1 1217 132 134 TRP CE3 C 121.078 . 1 1218 132 134 TRP CH2 C 124.236 . 1 1219 132 134 TRP CZ2 C 115.079 . 1 1220 132 134 TRP CZ3 C 122.344 . 1 1221 132 134 TRP N N 130.303 . 1 1222 132 134 TRP NE1 N 128.786 . 1 1223 133 135 ASP H H 8.237 . 1 1224 133 135 ASP HA H 6.018 . 1 1225 133 135 ASP HB2 H 2.350 . 2 1226 133 135 ASP HB3 H 2.530 . 2 1227 133 135 ASP C C 177.020 . 1 1228 133 135 ASP CA C 53.321 . 1 1229 133 135 ASP CB C 41.514 . 1 1230 133 135 ASP N N 125.516 . 1 1231 134 136 TYR H H 9.058 . 1 1232 134 136 TYR HA H 4.970 . 1 1233 134 136 TYR HB3 H 2.830 . 2 1234 134 136 TYR HD1 H 6.969 . 3 1235 134 136 TYR HE1 H 6.353 . 3 1236 134 136 TYR C C 172.324 . 1 1237 134 136 TYR CA C 55.982 . 1 1238 134 136 TYR CB C 42.265 . 1 1239 134 136 TYR CD1 C 133.819 . 3 1240 134 136 TYR CE1 C 117.769 . 3 1241 134 136 TYR N N 120.315 . 1 1242 135 137 ALA H H 8.521 . 1 1243 135 137 ALA HA H 4.280 . 1 1244 135 137 ALA HB H 1.261 . 1 1245 135 137 ALA C C 178.561 . 1 1246 135 137 ALA CA C 49.550 . 1 1247 135 137 ALA CB C 19.998 . 1 1248 135 137 ALA N N 123.386 . 1 1249 136 138 GLU H H 8.678 . 1 1250 136 138 GLU HA H 3.777 . 1 1251 136 138 GLU HB2 H 1.856 . 2 1252 136 138 GLU HB3 H 2.016 . 2 1253 136 138 GLU HG3 H 2.189 . 2 1254 136 138 GLU C C 177.624 . 1 1255 136 138 GLU CA C 60.527 . 1 1256 136 138 GLU CB C 29.020 . 1 1257 136 138 GLU CG C 36.044 . 1 1258 136 138 GLU N N 121.774 . 1 1259 137 139 GLY H H 8.666 . 1 1260 137 139 GLY HA2 H 3.872 . 2 1261 137 139 GLY HA3 H 3.872 . 2 1262 137 139 GLY C C 175.122 . 1 1263 137 139 GLY CA C 46.093 . 1 1264 137 139 GLY N N 106.053 . 1 1265 138 140 GLU H H 8.305 . 1 1266 138 140 GLU HA H 4.754 . 1 1267 138 140 GLU HB3 H 2.267 . 2 1268 138 140 GLU HG2 H 2.396 . 2 1269 138 140 GLU HG3 H 2.218 . 2 1270 138 140 GLU C C 177.819 . 1 1271 138 140 GLU CA C 55.049 . 1 1272 138 140 GLU CB C 30.504 . 1 1273 138 140 GLU CG C 36.020 . 1 1274 138 140 GLU N N 117.485 . 1 1275 139 141 VAL H H 7.267 . 1 1276 139 141 VAL HA H 3.422 . 1 1277 139 141 VAL HB H 2.128 . 1 1278 139 141 VAL HG1 H 0.744 . 2 1279 139 141 VAL HG2 H 0.532 . 2 1280 139 141 VAL C C 175.454 . 1 1281 139 141 VAL CA C 66.769 . 1 1282 139 141 VAL CB C 31.377 . 1 1283 139 141 VAL CG1 C 19.435 . 2 1284 139 141 VAL CG2 C 23.164 . 2 1285 139 141 VAL N N 120.764 . 1 1286 140 142 GLU H H 8.620 . 1 1287 140 142 GLU HA H 3.592 . 1 1288 140 142 GLU C C 177.320 . 1 1289 140 142 GLU CA C 62.607 . 1 1290 140 142 GLU CB C 26.759 . 1 1291 140 142 GLU N N 120.048 . 1 1292 141 143 THR H H 7.449 . 1 1293 141 143 THR HA H 4.003 . 1 1294 141 143 THR HB H 4.221 . 1 1295 141 143 THR HG2 H 1.222 . . 1296 141 143 THR C C 177.258 . 1 1297 141 143 THR CA C 65.490 . 1 1298 141 143 THR CB C 68.641 . 1 1299 141 143 THR CG2 C 21.782 . 1 1300 141 143 THR N N 114.073 . 1 1301 142 144 MET H H 7.992 . 1 1302 142 144 MET HA H 4.316 . 1 1303 142 144 MET HB2 H 1.927 . 2 1304 142 144 MET HB3 H 2.205 . 2 1305 142 144 MET HE H 2.008 . . 1306 142 144 MET HG2 H 2.586 . 2 1307 142 144 MET HG3 H 2.672 . 2 1308 142 144 MET C C 178.233 . 1 1309 142 144 MET CA C 57.743 . 1 1310 142 144 MET CB C 31.326 . 1 1311 142 144 MET CE C 18.237 . 1 1312 142 144 MET CG C 32.990 . 1 1313 142 144 MET N N 120.595 . 1 1314 143 145 LEU H H 7.847 . 1 1315 143 145 LEU HA H 3.919 . 1 1316 143 145 LEU HD1 H 0.720 . . 1317 143 145 LEU HD2 H 0.607 . . 1318 143 145 LEU HG H 1.794 . 1 1319 143 145 LEU C C 178.774 . 1 1320 143 145 LEU CA C 57.877 . 1 1321 143 145 LEU CB C 40.951 . 1 1322 143 145 LEU CD1 C 27.873 . 2 1323 143 145 LEU CD2 C 22.743 . 2 1324 143 145 LEU CG C 26.149 . 1 1325 143 145 LEU N N 119.410 . 1 1326 144 146 ASP H H 8.431 . 1 1327 144 146 ASP HA H 4.312 . 1 1328 144 146 ASP HB2 H 2.710 . 2 1329 144 146 ASP HB3 H 2.910 . 2 1330 144 146 ASP C C 178.129 . 1 1331 144 146 ASP CA C 57.464 . 1 1332 144 146 ASP CB C 39.548 . 1 1333 144 146 ASP N N 119.837 . 1 1334 145 147 ARG H H 7.949 . 1 1335 145 147 ARG HA H 4.050 . 1 1336 145 147 ARG HB2 H 2.070 . 2 1337 145 147 ARG HD2 H 2.970 . 2 1338 145 147 ARG HG2 H 1.815 . 2 1339 145 147 ARG HG3 H 1.687 . 2 1340 145 147 ARG C C 179.547 . 1 1341 145 147 ARG CA C 58.972 . 1 1342 145 147 ARG CB C 29.798 . 1 1343 145 147 ARG CD C 43.688 . 1 1344 145 147 ARG CG C 26.999 . 1 1345 145 147 ARG N N 119.173 . 1 1346 146 148 TYR H H 8.128 . 1 1347 146 148 TYR HA H 3.995 . 1 1348 146 148 TYR HB2 H 2.698 . 2 1349 146 148 TYR HB3 H 2.540 . 2 1350 146 148 TYR HD1 H 5.553 . 3 1351 146 148 TYR HE1 H 5.866 . 3 1352 146 148 TYR C C 178.199 . 1 1353 146 148 TYR CA C 62.347 . 1 1354 146 148 TYR CB C 37.418 . 1 1355 146 148 TYR CD1 C 133.173 . 3 1356 146 148 TYR CE1 C 117.649 . 3 1357 146 148 TYR N N 120.102 . 1 1358 147 149 PHE H H 8.308 . 1 1359 147 149 PHE HA H 4.013 . 1 1360 147 149 PHE HD1 H 7.148 . 3 1361 147 149 PHE HE1 H 6.778 . 3 1362 147 149 PHE HZ H 6.592 . 1 1363 147 149 PHE C C 177.574 . 1 1364 147 149 PHE CA C 63.044 . 1 1365 147 149 PHE CB C 37.153 . 1 1366 147 149 PHE CD1 C 132.517 . 3 1367 147 149 PHE CE1 C 130.890 . 3 1368 147 149 PHE CZ C 128.433 . 1 1369 147 149 PHE N N 116.680 . 1 1370 148 150 GLU H H 8.271 . 1 1371 148 150 GLU HA H 4.030 . 1 1372 148 150 GLU HB2 H 1.920 . 2 1373 148 150 GLU HB3 H 2.080 . 2 1374 148 150 GLU HG2 H 2.390 . 2 1375 148 150 GLU C C 177.687 . 1 1376 148 150 GLU CA C 58.746 . 1 1377 148 150 GLU CB C 28.847 . 1 1378 148 150 GLU CG C 36.540 . 1 1379 148 150 GLU N N 119.973 . 1 1380 149 151 ALA H H 6.992 . 1 1381 149 151 ALA HA H 4.217 . 1 1382 149 151 ALA HB H 1.152 . 1 1383 149 151 ALA C C 178.190 . 1 1384 149 151 ALA CA C 52.779 . 1 1385 149 151 ALA CB C 19.087 . 1 1386 149 151 ALA N N 118.629 . 1 1387 150 152 TYR H H 7.722 . 1 1388 150 152 TYR HA H 4.137 . 1 1389 150 152 TYR HB2 H 2.361 . 2 1390 150 152 TYR HB3 H 2.588 . 2 1391 150 152 TYR HD1 H 6.847 . 3 1392 150 152 TYR HE1 H 6.617 . 3 1393 150 152 TYR C C 175.703 . 1 1394 150 152 TYR CA C 59.260 . 1 1395 150 152 TYR CB C 39.165 . 1 1396 150 152 TYR CD1 C 133.478 . 3 1397 150 152 TYR CE1 C 118.228 . 3 1398 150 152 TYR N N 118.767 . 1 1399 151 153 LEU H H 7.670 . 1 1400 151 153 LEU HA H 4.145 . 1 1401 151 153 LEU HB2 H 1.474 . 2 1402 151 153 LEU HB3 H 1.638 . 2 1403 151 153 LEU HD1 H 0.995 . . 1404 151 153 LEU HD2 H 0.953 . . 1405 151 153 LEU HG H 1.761 . 1 1406 151 153 LEU CA C 54.704 . 1 1407 151 153 LEU CB C 40.520 . 1 1408 151 153 LEU CD1 C 25.460 . 2 1409 151 153 LEU CD2 C 23.804 . 2 1410 151 153 LEU CG C 27.157 . 1 1411 151 153 LEU N N 122.313 . 1 1412 152 154 PRO HA H 4.258 . 1 1413 152 154 PRO HB2 H 1.733 . 2 1414 152 154 PRO HB3 H 2.186 . 2 1415 152 154 PRO HD2 H 3.395 . 2 1416 152 154 PRO HD3 H 3.585 . 2 1417 152 154 PRO HG2 H 1.941 . 2 1418 152 154 PRO HG3 H 1.868 . 2 1419 152 154 PRO C C 177.496 . 1 1420 152 154 PRO CA C 63.899 . 1 1421 152 154 PRO CB C 31.080 . 1 1422 152 154 PRO CD C 50.645 . 1 1423 152 154 PRO CG C 27.727 . 1 1424 153 155 GLN H H 8.023 . 1 1425 153 155 GLN HA H 4.176 . 1 1426 153 155 GLN HB2 H 1.882 . 2 1427 153 155 GLN HB3 H 2.000 . 2 1428 153 155 GLN HG3 H 2.294 . 2 1429 153 155 GLN C C 176.636 . 1 1430 153 155 GLN CA C 55.968 . 1 1431 153 155 GLN CB C 28.723 . 1 1432 153 155 GLN N N 119.173 . 1 1433 154 156 LYS H H 8.113 . 1 1434 154 156 LYS HA H 4.196 . 1 1435 154 156 LYS HB2 H 1.600 . 2 1436 154 156 LYS HB3 H 1.733 . 2 1437 154 156 LYS HD2 H 1.597 . 2 1438 154 156 LYS HE2 H 2.918 . 2 1439 154 156 LYS HG2 H 1.343 . 2 1440 154 156 LYS HG3 H 1.316 . 2 1441 154 156 LYS C C 56.493 . 1 1442 154 156 LYS CA C 56.493 . 1 1443 154 156 LYS CB C 32.037 . 1 1444 154 156 LYS CD C 28.640 . 1 1445 154 156 LYS CE C 41.840 . 1 1446 154 156 LYS CG C 24.520 . 1 1447 154 156 LYS N N 122.788 . 1 1448 155 157 THR H H 8.013 . 1 1449 155 157 THR HA H 4.183 . 1 1450 155 157 THR HB H 4.097 . 1 1451 155 157 THR HG2 H 1.115 . . 1452 155 157 THR C C 174.580 . 1 1453 155 157 THR CA C 61.958 . 1 1454 155 157 THR CB C 69.665 . 1 1455 155 157 THR CG2 C 21.395 . 1 1456 155 157 THR N N 115.504 . 1 1457 156 158 ALA H H 8.170 . 1 1458 156 158 ALA HA H 4.220 . 1 1459 156 158 ALA HB H 1.323 . 1 1460 156 158 ALA CA C 52.492 . 1 1461 156 158 ALA CB C 18.810 . 1 1462 156 158 ALA N N 126.825 . 1 1463 157 159 SER H H 7.762 . 1 1464 157 159 SER CA C 58.230 . 1 1465 157 159 SER CB C 63.440 . 1 1466 157 159 SER N N 123.078 . 1 1467 160 162 HIS HA H 4.845 . 1 1468 160 162 HIS HB2 H 3.070 . 2 1469 160 162 HIS HB3 H 2.960 . 2 1470 160 162 HIS CA C 53.590 . 1 1471 160 162 HIS CB C 29.398 . 1 1472 161 163 PRO HA H 4.388 . 1 1473 161 163 PRO HB2 H 1.862 . 2 1474 161 163 PRO HB3 H 2.198 . 2 1475 161 163 PRO HD2 H 3.624 . 2 1476 161 163 PRO HD3 H 3.413 . 2 1477 161 163 PRO HG2 H 1.895 . 2 1478 161 163 PRO C C 177.018 . 1 1479 161 163 PRO CA C 63.118 . 1 1480 161 163 PRO CB C 31.668 . 1 1481 161 163 PRO CD C 50.432 . 1 1482 161 163 PRO CG C 27.124 . 1 1483 162 164 SER H H 8.418 . 1 1484 162 164 SER HA H 4.338 . 1 1485 162 164 SER HB3 H 3.782 . 2 1486 162 164 SER C C 173.327 . 1 1487 162 164 SER CA C 58.202 . 1 1488 162 164 SER CB C 64.080 . 1 1489 162 164 SER N N 117.485 . 1 1490 163 165 ALA H H 7.856 . 1 1491 163 165 ALA HA H 4.041 . 1 1492 163 165 ALA HB H 1.229 . 1 1493 163 165 ALA CA C 53.768 . 1 1494 163 165 ALA CB C 20.121 . 1 1495 163 165 ALA N N 131.885 . 1 stop_ save_