data_4316 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C and 15N Chemical Shift Assignements for Subunit c of the ATP Synthase from Propionigenium modestum ; _BMRB_accession_number 4316 _BMRB_flat_file_name bmr4316.str _Entry_type original _Submission_date 1999-03-11 _Accession_date 1999-03-16 _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 Matthey Ulrich . . 2 Kaim Georg . . 3 Braun Daniel . . 4 Wuthrich Kurt . . 5 Dimroth Peter . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 463 "13C chemical shifts" 269 "15N chemical shifts" 85 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 1999-05-27 original author . stop_ _Original_release_date 1999-05-27 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full ; Matthey, U., Kaim, G., Braun, D., Wuthrich, K. and Dimroth, P., "NMR Studies of Subunit C of the ATP Synthase from Propionigenium modestum in Dodecylsulfate Micelles," Eur. J. Biochem., 261, 459-467 (1999). ; _Citation_title ; NMR Studies of Subunit C of the ATP Synthase from Propionigenium modestum in Dodecylsulfate Micelles ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code 99234020 _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Matthey Ulrich . . 2 Kaim Georg . . 3 Braun Daniel . . 4 Wuthrich Kurt . . 5 Dimroth Peter . . stop_ _Journal_abbreviation 'Eur. J. Biochem.' _Journal_name_full 'European Journal of Biochemistry' _Journal_volume 261 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 459 _Page_last 467 _Year 1999 _Details . loop_ _Keyword 'ATP synthase' NMR 'Propionigenium modestum' structure 'Subunit c' stop_ save_ ################################## # Molecular system description # ################################## save_ATP_synthase_subunit_c _Saveframe_category molecular_system _Mol_system_name 'subunit c of ATP synthase' _Abbreviation_common 'subunit c' _Enzyme_commission_number 3.6.1.37 loop_ _Mol_system_component_name _Mol_label 'ATP synthase subunit c' $ATP_synthase_subunit_c_monomer stop_ _System_molecular_weight . _System_physical_state 'molten globule' _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state . loop_ _Biological_function 'ion binding subunit of the Na+-translocating F1F0 ATP synthase from Propionigenium modestum' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_ATP_synthase_subunit_c_monomer _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'ATP synthase subunit c' _Abbreviation_common 'F1F0 ATPase subunit c' _Molecular_mass 8731 _Mol_thiol_state . _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 89 _Mol_residue_sequence ; MDMVLAKTVVLAASAVGAGA AMIAGIGPGVGQGYAAGKAV ESVARQPEAKGDIISTMVLG QAIAESTGIYSLVIALILLY ANPFVGLLG ; loop_ _Residue_seq_code _Residue_label 1 MET 2 ASP 3 MET 4 VAL 5 LEU 6 ALA 7 LYS 8 THR 9 VAL 10 VAL 11 LEU 12 ALA 13 ALA 14 SER 15 ALA 16 VAL 17 GLY 18 ALA 19 GLY 20 ALA 21 ALA 22 MET 23 ILE 24 ALA 25 GLY 26 ILE 27 GLY 28 PRO 29 GLY 30 VAL 31 GLY 32 GLN 33 GLY 34 TYR 35 ALA 36 ALA 37 GLY 38 LYS 39 ALA 40 VAL 41 GLU 42 SER 43 VAL 44 ALA 45 ARG 46 GLN 47 PRO 48 GLU 49 ALA 50 LYS 51 GLY 52 ASP 53 ILE 54 ILE 55 SER 56 THR 57 MET 58 VAL 59 LEU 60 GLY 61 GLN 62 ALA 63 ILE 64 ALA 65 GLU 66 SER 67 THR 68 GLY 69 ILE 70 TYR 71 SER 72 LEU 73 VAL 74 ILE 75 ALA 76 LEU 77 ILE 78 LEU 79 LEU 80 TYR 81 ALA 82 ASN 83 PRO 84 PHE 85 VAL 86 GLY 87 LEU 88 LEU 89 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-02-04 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value EMBL CAA37840 "ATPase subunit c [Propionigenium modestum]" 100.00 89 100.00 100.00 5.31e-51 EMBL CAA37912 "unnamed protein product [Propionigenium modestum]" 100.00 89 100.00 100.00 5.31e-51 EMBL CAA41369 "F0 subunit [Propionigenium modestum]" 100.00 89 100.00 100.00 5.31e-51 EMBL CAA46895 "ATPase c subunit [Propionigenium modestum]" 100.00 89 100.00 100.00 5.31e-51 GB AAB22156 "sodium dependent ATPase F1 subunit c [Propionigenium modestum, Peptide, 89 aa]" 100.00 89 100.00 100.00 5.31e-51 SP P21905 "RecName: Full=ATP synthase subunit c, sodium ion specific; AltName: Full=ATP synthase F(0) sector subunit c; AltName: Full=F-ty" 100.00 89 100.00 100.00 5.31e-51 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $ATP_synthase_subunit_c_monomer 'P. modestum' 2333 Eubacteria . Propionigenium modestum 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 _Details $ATP_synthase_subunit_c_monomer 'recombinant technology' 'E. coli' Escherichia coli PEF42(DE3) plasmid 'Overexpression of P. modestum subunit c in Escherichia coli PEF42(DE3)' stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_one _Saveframe_category sample _Sample_type micelles _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $ATP_synthase_subunit_c_monomer 1.5 mM [U-15N] 'SDS deuterated' 300 mM . stop_ save_ save_sample_two _Saveframe_category sample _Sample_type micelles _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $ATP_synthase_subunit_c_monomer 1.9 mM '[U-15N; U-13C]' 'SDS deuterated' 300 mM . stop_ save_ ############################ # Computer software used # ############################ save_software_one _Saveframe_category software _Name PROSA _Version . loop_ _Task 'data processing' stop_ _Details . save_ save_software_two _Saveframe_category software _Name XEASY _Version . loop_ _Task 'spectral analyses' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_one _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 500 _Details . save_ save_NMR_spectrometer_two _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 600 _Details . save_ save_NMR_spectrometer_three _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 750 _Details . save_ save_NMR_spectrometer_four _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model Unity+ _Field_strength 750 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_[15N,1H]-HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D [15N,1H]-HSQC' _Sample_label . save_ save_2D_ct-[13C,1H]-HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D ct-[13C,1H]-HSQC' _Sample_label . save_ save_3D_HNCA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label . save_ save_3D_CBCA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label . save_ save_3D_15N-res._[1H,1H]-NOESY_(mixing_time:_60_ms)_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-res. [1H,1H]-NOESY (mixing time: 60 ms)' _Sample_label . save_ save_3D_15N-res._[1H,1H]-TOCSY_(mixing_time:_60_ms)_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-res. [1H,1H]-TOCSY (mixing time: 60 ms)' _Sample_label . save_ save_3D_HCCH-COSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-COSY' _Sample_label . save_ save_3D_HCCH-TOCSY_(mixing_time:_17.2_ms)_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY (mixing time: 17.2 ms)' _Sample_label . save_ save_3D_13C-res._[1H,1H]-NOESY_(mixing_time:_50_ms)_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-res. [1H,1H]-NOESY (mixing time: 50 ms)' _Sample_label . save_ save_2D_[1H,_1H]-TOCSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '2D [1H, 1H]-TOCSY' _Sample_label . save_ save_2D_[1H,_1H]-NOESY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '2D [1H, 1H]-NOESY' _Sample_label . save_ save_3D_13C/13C-res._[1H,1H]-NOESY_(mixing_time:_60_ms)_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C/13C-res. [1H,1H]-NOESY (mixing time: 60 ms)' _Sample_label . save_ save_2D_15N{1H}-NOE_13 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 15N{1H}-NOE' _Sample_label . save_ save_The_13C/13C-res._[1H,_1H]-NOESY_were_recorded_14 _Saveframe_category NMR_applied_experiment _Experiment_name 'The 13C/13C-res. [1H, 1H]-NOESY were recorded' _Sample_label . save_ save_to_verify_some_resonance_assignments._15 _Saveframe_category NMR_applied_experiment _Experiment_name 'to verify some resonance assignments.' _Sample_label . save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D [15N,1H]-HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D ct-[13C,1H]-HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-res. [1H,1H]-NOESY (mixing time: 60 ms)' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-res. [1H,1H]-TOCSY (mixing time: 60 ms)' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-COSY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY (mixing time: 17.2 ms)' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-res. [1H,1H]-NOESY (mixing time: 50 ms)' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_10 _Saveframe_category NMR_applied_experiment _Experiment_name '2D [1H, 1H]-TOCSY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_11 _Saveframe_category NMR_applied_experiment _Experiment_name '2D [1H, 1H]-NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C/13C-res. [1H,1H]-NOESY (mixing time: 60 ms)' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_13 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 15N{1H}-NOE' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_14 _Saveframe_category NMR_applied_experiment _Experiment_name 'The 13C/13C-res. [1H, 1H]-NOESY were recorded' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_15 _Saveframe_category NMR_applied_experiment _Experiment_name 'to verify some resonance assignments.' _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_Pmc_set1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' .42 .01 na pH 5.8 0.1 na temperature 303 0.5 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _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 0.0 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 . 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_chemical_shifts _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_one $sample_two stop_ _Sample_conditions_label $Pmc_set1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'ATP synthase subunit c' _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 MET CA C 55.3 . 1 2 . 1 MET HA H 4.16 . 1 3 . 1 MET CB C 33.2 . 1 4 . 1 MET HB2 H 2.19 . 1 5 . 1 MET HB3 H 2.19 . 1 6 . 1 MET CG C 31.0 . 1 7 . 1 MET HG2 H 2.59 . 2 8 . 1 MET HG3 H 2.52 . 2 9 . 2 ASP N N 123.3 . 1 10 . 2 ASP H H 8.41 . 1 11 . 2 ASP CA C 53.7 . 1 12 . 2 ASP HA H 4.77 . 1 13 . 2 ASP CB C 41.5 . 1 14 . 2 ASP HB2 H 2.87 . 2 15 . 2 ASP HB3 H 2.72 . 2 16 . 3 MET N N 121.2 . 1 17 . 3 MET H H 8.49 . 1 18 . 3 MET CA C 56.7 . 1 19 . 3 MET HA H 4.44 . 1 20 . 3 MET CB C 31.9 . 1 21 . 3 MET HB2 H 2.17 . 1 22 . 3 MET HB3 H 2.17 . 1 23 . 3 MET CG C 32.6 . 1 24 . 3 MET HG2 H 2.70 . 2 25 . 3 MET HG3 H 2.57 . 2 26 . 3 MET HE H 2.07 . 1 27 . 3 MET CE C 17.3 . 1 28 . 4 VAL N N 120.5 . 1 29 . 4 VAL H H 8.02 . 1 30 . 4 VAL CA C 65.8 . 1 31 . 4 VAL HA H 3.74 . 1 32 . 4 VAL CB C 31.5 . 1 33 . 4 VAL HB H 2.19 . 1 34 . 4 VAL HG1 H 1.03 . 2 35 . 4 VAL HG2 H 0.94 . 2 36 . 4 VAL CG1 C 22.2 . 1 37 . 4 VAL CG2 C 20.9 . 1 38 . 5 LEU N N 123.4 . 1 39 . 5 LEU H H 8.07 . 1 40 . 5 LEU CA C 57.7 . 1 41 . 5 LEU HA H 4.16 . 1 42 . 5 LEU CB C 41.4 . 1 43 . 5 LEU HB2 H 1.73 . 1 44 . 5 LEU HB3 H 1.73 . 1 45 . 5 LEU CG C 27.4 . 1 46 . 5 LEU HG H 1.64 . 1 47 . 5 LEU HD1 H 0.97 . 2 48 . 5 LEU HD2 H 0.94 . 2 49 . 5 LEU CD1 C 24.3 . 1 50 . 5 LEU CD2 C 24.4 . 1 51 . 6 ALA N N 120.5 . 1 52 . 6 ALA H H 8.02 . 1 53 . 6 ALA CA C 55.4 . 1 54 . 6 ALA HA H 3.96 . 1 55 . 6 ALA HB H 1.47 . 1 56 . 6 ALA CB C 18.4 . 1 57 . 7 LYS N N 115.9 . 1 58 . 7 LYS H H 8.02 . 1 59 . 7 LYS CA C 59.6 . 1 60 . 7 LYS HA H 3.91 . 1 61 . 7 LYS CB C 32.4 . 1 62 . 7 LYS HB2 H 1.97 . 2 63 . 7 LYS HB3 H 1.95 . 2 64 . 7 LYS CG C 25.7 . 1 65 . 7 LYS HG2 H 1.57 . 2 66 . 7 LYS HG3 H 1.46 . 2 67 . 7 LYS CD C 29.5 . 1 68 . 7 LYS HD2 H 1.74 . 1 69 . 7 LYS HD3 H 1.74 . 1 70 . 7 LYS CE C 42.3 . 1 71 . 7 LYS HE2 H 2.97 . 1 72 . 7 LYS HE3 H 2.97 . 1 73 . 8 THR N N 115.3 . 1 74 . 8 THR H H 7.93 . 1 75 . 8 THR CA C 66.8 . 1 76 . 8 THR HA H 3.89 . 1 77 . 8 THR CB C 68.5 . 1 78 . 8 THR HB H 4.44 . 1 79 . 8 THR HG2 H 1.25 . 1 80 . 8 THR CG2 C 21.5 . 1 81 . 9 VAL N N 121.2 . 1 82 . 9 VAL H H 8.13 . 1 83 . 9 VAL CA C 66.6 . 1 84 . 9 VAL HA H 3.68 . 1 85 . 9 VAL CB C 31.6 . 1 86 . 9 VAL HB H 2.24 . 1 87 . 9 VAL HG1 H 1.06 . 2 88 . 9 VAL HG2 H 0.95 . 2 89 . 9 VAL CG1 C 22.7 . 1 90 . 9 VAL CG2 C 21.4 . 1 91 . 10 VAL N N 119.1 . 1 92 . 10 VAL H H 7.92 . 1 93 . 10 VAL CA C 66.7 . 1 94 . 10 VAL HA H 3.66 . 1 95 . 10 VAL CB C 31.5 . 1 96 . 10 VAL HB H 2.19 . 1 97 . 10 VAL HG1 H 1.09 . 2 98 . 10 VAL HG2 H 0.97 . 2 99 . 10 VAL CG1 C 23.0 . 1 100 . 10 VAL CG2 C 21.6 . 1 101 . 11 LEU N N 120.5 . 1 102 . 11 LEU H H 8.18 . 1 103 . 11 LEU CA C 57.7 . 1 104 . 11 LEU HA H 4.13 . 1 105 . 11 LEU CB C 41.5 . 1 106 . 11 LEU HB2 H 1.90 . 2 107 . 11 LEU HB3 H 1.60 . 2 108 . 11 LEU CG C 27.2 . 1 109 . 11 LEU HG H 1.82 . 1 110 . 11 LEU HD1 H 0.93 . 2 111 . 11 LEU HD2 H 0.92 . 2 112 . 11 LEU CD1 C 25.1 . 1 113 . 11 LEU CD2 C 23.3 . 1 114 . 12 ALA N N 122.6 . 1 115 . 12 ALA H H 8.13 . 1 116 . 12 ALA CA C 54.7 . 1 117 . 12 ALA HA H 4.18 . 1 118 . 12 ALA HB H 1.52 . 1 119 . 12 ALA CB C 18.3 . 1 120 . 13 ALA N N 119.8 . 1 121 . 13 ALA H H 8.34 . 1 122 . 13 ALA CA C 54.6 . 1 123 . 13 ALA HA H 4.09 . 1 124 . 13 ALA HB H 1.52 . 1 125 . 13 ALA CB C 18.3 . 1 126 . 14 SER N N 113.3 . 1 127 . 14 SER H H 8.23 . 1 128 . 14 SER CA C 60.8 . 1 129 . 14 SER HA H 4.35 . 1 130 . 14 SER CB C 63.1 . 1 131 . 14 SER HB2 H 4.06 . 2 132 . 14 SER HB3 H 3.99 . 2 133 . 15 ALA N N 124.4 . 1 134 . 15 ALA H H 7.94 . 1 135 . 15 ALA CA C 54.4 . 1 136 . 15 ALA HA H 4.28 . 1 137 . 15 ALA HB H 1.54 . 1 138 . 15 ALA CB C 18.6 . 1 139 . 16 VAL N N 114.9 . 1 140 . 16 VAL H H 7.68 . 1 141 . 16 VAL CA C 63.8 . 1 142 . 16 VAL HA H 4.04 . 1 143 . 16 VAL CB C 31.9 . 1 144 . 16 VAL HB H 2.31 . 1 145 . 16 VAL HG1 H 1.08 . 2 146 . 16 VAL HG2 H 0.99 . 2 147 . 16 VAL CG1 C 21.4 . 1 148 . 16 VAL CG2 C 21.4 . 1 149 . 17 GLY N N 109.1 . 1 150 . 17 GLY H H 8.14 . 1 151 . 17 GLY CA C 46.6 . 1 152 . 17 GLY HA2 H 3.96 . 1 153 . 17 GLY HA3 H 3.96 . 1 154 . 18 ALA N N 123.1 . 1 155 . 18 ALA H H 8.10 . 1 156 . 18 ALA CA C 54.1 . 1 157 . 18 ALA HA H 4.23 . 1 158 . 18 ALA HB H 1.46 . 1 159 . 18 ALA CB C 18.9 . 1 160 . 19 GLY N N 106.7 . 1 161 . 19 GLY H H 8.39 . 1 162 . 19 GLY CA C 46.8 . 1 163 . 19 GLY HA2 H 3.84 . 1 164 . 19 GLY HA3 H 3.84 . 1 165 . 20 ALA N N 123.4 . 1 166 . 20 ALA H H 8.20 . 1 167 . 20 ALA CA C 54.6 . 1 168 . 20 ALA HA H 4.08 . 1 169 . 20 ALA HB H 1.47 . 1 170 . 20 ALA CB C 18.1 . 1 171 . 21 ALA N N 119.8 . 1 172 . 21 ALA H H 7.96 . 1 173 . 21 ALA CA C 54.2 . 1 174 . 21 ALA HA H 4.15 . 1 175 . 21 ALA HB H 1.48 . 1 176 . 21 ALA CB C 18.3 . 1 177 . 22 MET N N 117.6 . 1 178 . 22 MET H H 7.94 . 1 179 . 22 MET CA C 58.1 . 1 180 . 22 MET HA H 4.25 . 1 181 . 22 MET CB C 32.7 . 1 182 . 22 MET HB2 H 2.25 . 2 183 . 22 MET HB3 H 2.15 . 2 184 . 22 MET CG C 32.4 . 1 185 . 22 MET HG2 H 2.70 . 2 186 . 22 MET HG3 H 2.56 . 2 187 . 22 MET HE H 2.06 . 1 188 . 22 MET CE C 17.2 . 1 189 . 23 ILE N N 117.6 . 1 190 . 23 ILE H H 7.83 . 1 191 . 23 ILE CA C 62.9 . 1 192 . 23 ILE HA H 3.94 . 1 193 . 23 ILE CB C 37.8 . 1 194 . 23 ILE HB H 1.98 . 1 195 . 23 ILE HG2 H 0.94 . 1 196 . 23 ILE CG2 C 17.8 . 1 197 . 23 ILE CG1 C 28.4 . 1 198 . 23 ILE HG12 H 1.61 . 2 199 . 23 ILE HG13 H 1.27 . 2 200 . 23 ILE HD1 H 0.86 . 1 201 . 23 ILE CD1 C 13.2 . 1 202 . 24 ALA N N 122.4 . 1 203 . 24 ALA H H 7.83 . 1 204 . 24 ALA CA C 53.7 . 1 205 . 24 ALA HA H 4.21 . 1 206 . 24 ALA HB H 1.47 . 1 207 . 24 ALA CB C 18.6 . 1 208 . 25 GLY N N 105.6 . 1 209 . 25 GLY H H 7.92 . 1 210 . 25 GLY CA C 45.6 . 1 211 . 25 GLY HA2 H 4.03 . 2 212 . 25 GLY HA3 H 3.91 . 2 213 . 26 ILE N N 119.1 . 1 214 . 26 ILE H H 7.64 . 1 215 . 26 ILE CA C 61.8 . 1 216 . 26 ILE HA H 4.18 . 1 217 . 26 ILE CB C 38.8 . 1 218 . 26 ILE HB H 1.96 . 1 219 . 26 ILE HG2 H 0.95 . 1 220 . 26 ILE CG2 C 17.5 . 1 221 . 26 ILE CG1 C 27.5 . 1 222 . 26 ILE HG12 H 1.61 . 2 223 . 26 ILE HG13 H 1.26 . 2 224 . 26 ILE HD1 H 0.88 . 1 225 . 26 ILE CD1 C 13.6 . 1 226 . 27 GLY N N 110.2 . 1 227 . 27 GLY H H 7.97 . 1 228 . 27 GLY CA C 45.3 . 1 229 . 27 GLY HA2 H 4.08 . 1 230 . 27 GLY HA3 H 4.08 . 1 231 . 28 PRO CD C 50.0 . 1 232 . 28 PRO CA C 63.8 . 1 233 . 28 PRO HA H 4.45 . 1 234 . 28 PRO CB C 31.9 . 1 235 . 28 PRO HB2 H 2.28 . 2 236 . 28 PRO HB3 H 1.96 . 2 237 . 28 PRO CG C 27.2 . 1 238 . 28 PRO HG2 H 2.01 . 2 239 . 28 PRO HG3 H 2.00 . 2 240 . 28 PRO HD2 H 3.68 . 2 241 . 28 PRO HD3 H 3.62 . 2 242 . 29 GLY N N 109.1 . 1 243 . 29 GLY H H 8.35 . 1 244 . 29 GLY CA C 45.6 . 1 245 . 29 GLY HA2 H 4.00 . 2 246 . 29 GLY HA3 H 3.94 . 2 247 . 30 VAL N N 119.2 . 1 248 . 30 VAL H H 7.78 . 1 249 . 30 VAL CA C 63.3 . 1 250 . 30 VAL HA H 4.08 . 1 251 . 30 VAL CB C 32.2 . 1 252 . 30 VAL HB H 2.18 . 1 253 . 30 VAL HG1 H 1.00 . 2 254 . 30 VAL HG2 H 0.97 . 2 255 . 30 VAL CG1 C 21.1 . 1 256 . 30 VAL CG2 C 21.2 . 1 257 . 31 GLY N N 110.8 . 1 258 . 31 GLY H H 8.41 . 1 259 . 31 GLY CA C 45.8 . 1 260 . 31 GLY HA2 H 4.08 . 2 261 . 31 GLY HA3 H 3.90 . 2 262 . 32 GLN N N 118.5 . 1 263 . 32 GLN H H 8.07 . 1 264 . 32 GLN CA C 56.4 . 1 265 . 32 GLN HA H 4.27 . 1 266 . 32 GLN CB C 28.9 . 1 267 . 32 GLN HB2 H 2.19 . 2 268 . 32 GLN HB3 H 1.97 . 2 269 . 32 GLN CG C 33.9 . 1 270 . 32 GLN HG2 H 2.37 . 2 271 . 32 GLN HG3 H 2.33 . 2 272 . 32 GLN HE21 H 6.76 . 2 273 . 32 GLN HE22 H 7.43 . 2 274 . 33 GLY N N 108.8 . 1 275 . 33 GLY H H 8.32 . 1 276 . 33 GLY CA C 45.8 . 1 277 . 33 GLY HA2 H 3.99 . 2 278 . 33 GLY HA3 H 3.92 . 2 279 . 34 TYR N N 121.1 . 1 280 . 34 TYR H H 7.97 . 1 281 . 34 TYR CA C 59.9 . 1 282 . 34 TYR HA H 4.35 . 1 283 . 34 TYR CB C 38.9 . 1 284 . 34 TYR HB2 H 3.04 . 2 285 . 34 TYR HB3 H 3.01 . 2 286 . 34 TYR HD1 H 7.10 . 1 287 . 34 TYR HD2 H 7.10 . 1 288 . 34 TYR HE1 H 6.79 . 1 289 . 34 TYR HE2 H 6.79 . 1 290 . 35 ALA N N 123.1 . 1 291 . 35 ALA H H 8.22 . 1 292 . 35 ALA CA C 53.7 . 1 293 . 35 ALA HA H 4.11 . 1 294 . 35 ALA HB H 1.43 . 1 295 . 35 ALA CB C 18.6 . 1 296 . 36 ALA N N 121.1 . 1 297 . 36 ALA H H 7.97 . 1 298 . 36 ALA CA C 54.2 . 1 299 . 36 ALA HA H 4.09 . 1 300 . 36 ALA HB H 1.40 . 1 301 . 36 ALA CB C 18.5 . 1 302 . 37 GLY N N 106.2 . 1 303 . 37 GLY H H 8.15 . 1 304 . 37 GLY CA C 46.3 . 1 305 . 37 GLY HA2 H 3.85 . 2 306 . 37 GLY HA3 H 3.83 . 2 307 . 38 LYS N N 120.4 . 1 308 . 38 LYS H H 7.78 . 1 309 . 38 LYS CA C 57.3 . 1 310 . 38 LYS HA H 4.19 . 1 311 . 38 LYS CB C 32.4 . 1 312 . 38 LYS HB2 H 1.81 . 1 313 . 38 LYS HB3 H 1.81 . 1 314 . 38 LYS CG C 24.7 . 1 315 . 38 LYS HG2 H 1.38 . 1 316 . 38 LYS HG3 H 1.38 . 1 317 . 38 LYS CD C 28.5 . 1 318 . 38 LYS HD2 H 1.64 . 2 319 . 38 LYS HD3 H 1.62 . 2 320 . 38 LYS CE C 42.2 . 1 321 . 38 LYS HE2 H 2.96 . 2 322 . 38 LYS HE3 H 2.91 . 2 323 . 39 ALA N N 123.1 . 1 324 . 39 ALA H H 8.19 . 1 325 . 39 ALA CA C 54.4 . 1 326 . 39 ALA HA H 4.19 . 1 327 . 39 ALA HB H 1.47 . 1 328 . 39 ALA CB C 18.6 . 1 329 . 40 VAL N N 116.7 . 1 330 . 40 VAL H H 7.88 . 1 331 . 40 VAL CA C 64.8 . 1 332 . 40 VAL HA H 3.81 . 1 333 . 40 VAL CB C 31.9 . 1 334 . 40 VAL HB H 2.17 . 1 335 . 40 VAL HG1 H 1.04 . 2 336 . 40 VAL HG2 H 0.97 . 2 337 . 40 VAL CG1 C 21.9 . 1 338 . 40 VAL CG2 C 21.2 . 1 339 . 41 GLU N N 119.0 . 1 340 . 41 GLU H H 7.97 . 1 341 . 41 GLU CA C 58.1 . 1 342 . 41 GLU HA H 4.14 . 1 343 . 41 GLU CB C 29.5 . 1 344 . 41 GLU HB2 H 2.10 . 2 345 . 41 GLU HB3 H 2.08 . 2 346 . 41 GLU CG C 35.8 . 1 347 . 41 GLU HG2 H 2.38 . 2 348 . 41 GLU HG3 H 2.30 . 2 349 . 42 SER N N 114.0 . 1 350 . 42 SER H H 7.87 . 1 351 . 42 SER CA C 60.2 . 1 352 . 42 SER HA H 4.36 . 1 353 . 42 SER CB C 63.8 . 1 354 . 42 SER HB2 H 3.97 . 2 355 . 42 SER HB3 H 3.93 . 2 356 . 43 VAL N N 119.5 . 1 357 . 43 VAL H H 7.69 . 1 358 . 43 VAL CA C 63.1 . 1 359 . 43 VAL HA H 4.07 . 1 360 . 43 VAL CB C 32.1 . 1 361 . 43 VAL HB H 2.18 . 1 362 . 43 VAL HG1 H 0.99 . 2 363 . 43 VAL HG2 H 0.97 . 2 364 . 43 VAL CG1 C 21.4 . 1 365 . 43 VAL CG2 C 21.4 . 1 366 . 44 ALA N N 124.3 . 1 367 . 44 ALA H H 7.99 . 1 368 . 44 ALA CA C 52.8 . 1 369 . 44 ALA HA H 4.29 . 1 370 . 44 ALA HB H 1.41 . 1 371 . 44 ALA CB C 19.1 . 1 372 . 45 ARG N N 117.6 . 1 373 . 45 ARG H H 7.74 . 1 374 . 45 ARG CA C 55.8 . 1 375 . 45 ARG HA H 4.34 . 1 376 . 45 ARG CB C 30.9 . 1 377 . 45 ARG HB2 H 1.89 . 2 378 . 45 ARG HB3 H 1.79 . 2 379 . 45 ARG CG C 27.2 . 1 380 . 45 ARG HG2 H 1.69 . 2 381 . 45 ARG HG3 H 1.66 . 2 382 . 45 ARG CD C 43.5 . 1 383 . 45 ARG HD2 H 3.19 . 1 384 . 45 ARG HD3 H 3.19 . 1 385 . 45 ARG HE H 7.18 . 1 386 . 46 GLN N N 120.4 . 1 387 . 46 GLN H H 8.11 . 1 388 . 46 GLN CA C 53.8 . 1 389 . 46 GLN HA H 4.59 . 1 390 . 46 GLN CB C 28.7 . 1 391 . 46 GLN HB2 H 2.15 . 2 392 . 46 GLN HB3 H 1.99 . 2 393 . 46 GLN CG C 33.6 . 1 394 . 46 GLN HG2 H 2.40 . 1 395 . 46 GLN HG3 H 2.40 . 1 396 . 46 GLN HE21 H 6.72 . 2 397 . 46 GLN HE22 H 7.46 . 2 398 . 47 PRO CD C 50.4 . 1 399 . 47 PRO CA C 63.9 . 1 400 . 47 PRO HA H 4.41 . 1 401 . 47 PRO CB C 31.9 . 1 402 . 47 PRO HB2 H 2.31 . 2 403 . 47 PRO HB3 H 1.96 . 2 404 . 47 PRO CG C 27.5 . 1 405 . 47 PRO HG2 H 2.06 . 2 406 . 47 PRO HG3 H 2.00 . 2 407 . 47 PRO HD2 H 3.74 . 1 408 . 47 PRO HD3 H 3.74 . 1 409 . 48 GLU N N 119.1 . 1 410 . 48 GLU H H 8.47 . 1 411 . 48 GLU CA C 56.9 . 1 412 . 48 GLU HA H 4.25 . 1 413 . 48 GLU CB C 29.7 . 1 414 . 48 GLU HB2 H 2.08 . 2 415 . 48 GLU HB3 H 1.98 . 2 416 . 48 GLU CG C 35.9 . 1 417 . 48 GLU HG2 H 2.30 . 1 418 . 48 GLU HG3 H 2.30 . 1 419 . 49 ALA N N 123.4 . 1 420 . 49 ALA H H 8.01 . 1 421 . 49 ALA CA C 52.4 . 1 422 . 49 ALA HA H 4.38 . 1 423 . 49 ALA HB H 1.43 . 1 424 . 49 ALA CB C 19.3 . 1 425 . 50 LYS N N 119.5 . 1 426 . 50 LYS H H 8.06 . 1 427 . 50 LYS CA C 57.3 . 1 428 . 50 LYS HA H 4.22 . 1 429 . 50 LYS CB C 32.7 . 1 430 . 50 LYS HB2 H 1.88 . 2 431 . 50 LYS HB3 H 1.83 . 2 432 . 50 LYS CG C 24.8 . 1 433 . 50 LYS HG2 H 1.50 . 2 434 . 50 LYS HG3 H 1.46 . 2 435 . 50 LYS CD C 29.0 . 1 436 . 50 LYS HD2 H 1.72 . 1 437 . 50 LYS HD3 H 1.72 . 1 438 . 50 LYS CE C 42.1 . 1 439 . 50 LYS HE2 H 3.02 . 1 440 . 50 LYS HE3 H 3.02 . 1 441 . 51 GLY N N 108.8 . 1 442 . 51 GLY H H 8.33 . 1 443 . 51 GLY CA C 46.0 . 1 444 . 51 GLY HA2 H 4.02 . 2 445 . 51 GLY HA3 H 3.94 . 2 446 . 52 ASP N N 120.1 . 1 447 . 52 ASP H H 8.15 . 1 448 . 52 ASP CA C 55.5 . 1 449 . 52 ASP HA H 4.63 . 1 450 . 52 ASP CB C 40.6 . 1 451 . 52 ASP HB2 H 2.73 . 1 452 . 52 ASP HB3 H 2.73 . 1 453 . 53 ILE N N 121.2 . 1 454 . 53 ILE H H 8.12 . 1 455 . 53 ILE CA C 64.1 . 1 456 . 53 ILE HA H 3.89 . 1 457 . 53 ILE CB C 37.8 . 1 458 . 53 ILE HB H 2.03 . 1 459 . 53 ILE HG2 H 0.92 . 1 460 . 53 ILE CG2 C 17.6 . 1 461 . 53 ILE CG1 C 28.5 . 1 462 . 53 ILE HG12 H 1.64 . 2 463 . 53 ILE HG13 H 1.21 . 2 464 . 53 ILE HD1 H 0.91 . 1 465 . 53 ILE CD1 C 13.0 . 1 466 . 54 ILE N N 119.6 . 1 467 . 54 ILE H H 7.95 . 1 468 . 54 ILE CA C 63.5 . 1 469 . 54 ILE HA H 3.90 . 1 470 . 54 ILE CB C 37.5 . 1 471 . 54 ILE HB H 1.96 . 1 472 . 54 ILE HG2 H 0.93 . 1 473 . 54 ILE CG2 C 17.8 . 1 474 . 54 ILE CG1 C 28.6 . 1 475 . 54 ILE HG12 H 1.62 . 2 476 . 54 ILE HG13 H 1.27 . 2 477 . 54 ILE HD1 H 0.89 . 1 478 . 54 ILE CD1 C 12.7 . 1 479 . 55 SER N N 115.0 . 1 480 . 55 SER H H 8.04 . 1 481 . 55 SER CA C 60.6 . 1 482 . 55 SER HA H 4.29 . 1 483 . 55 SER CB C 63.1 . 1 484 . 55 SER HB2 H 4.00 . 2 485 . 55 SER HB3 H 3.94 . 2 486 . 56 THR N N 115.3 . 1 487 . 56 THR H H 7.84 . 1 488 . 56 THR CA C 64.5 . 1 489 . 56 THR HA H 4.16 . 1 490 . 56 THR CB C 69.0 . 1 491 . 56 THR HB H 4.33 . 1 492 . 56 THR HG2 H 1.26 . 1 493 . 56 THR CG2 C 21.8 . 1 494 . 57 MET N N 121.4 . 1 495 . 57 MET H H 7.97 . 1 496 . 57 MET CA C 57.6 . 1 497 . 57 MET HA H 4.35 . 1 498 . 57 MET CB C 33.0 . 1 499 . 57 MET HB2 H 2.20 . 2 500 . 57 MET HB3 H 2.12 . 2 501 . 57 MET CG C 32.3 . 1 502 . 57 MET HG2 H 2.68 . 2 503 . 57 MET HG3 H 2.55 . 2 504 . 57 MET HE H 2.04 . 1 505 . 57 MET CE C 17.3 . 1 506 . 58 VAL N N 119.2 . 1 507 . 58 VAL H H 8.04 . 1 508 . 58 VAL CA C 64.5 . 1 509 . 58 VAL HA H 3.96 . 1 510 . 58 VAL CB C 32.0 . 1 511 . 58 VAL HB H 2.20 . 1 512 . 58 VAL HG1 H 1.02 . 2 513 . 58 VAL HG2 H 0.97 . 2 514 . 58 VAL CG1 C 21.5 . 1 515 . 58 VAL CG2 C 21.2 . 1 516 . 59 LEU N N 121.4 . 1 517 . 59 LEU H H 7.95 . 1 518 . 59 LEU CA C 56.9 . 1 519 . 59 LEU HA H 4.23 . 1 520 . 59 LEU CB C 42.0 . 1 521 . 59 LEU HB2 H 1.81 . 2 522 . 59 LEU HB3 H 1.64 . 2 523 . 59 LEU CG C 27.0 . 1 524 . 59 LEU HG H 1.73 . 1 525 . 59 LEU HD1 H 0.95 . 2 526 . 59 LEU HD2 H 0.91 . 2 527 . 59 LEU CD1 C 25.0 . 1 528 . 59 LEU CD2 C 23.8 . 1 529 . 60 GLY N N 106.5 . 1 530 . 60 GLY H H 8.20 . 1 531 . 60 GLY CA C 46.6 . 1 532 . 60 GLY HA2 H 3.92 . 2 533 . 60 GLY HA3 H 3.84 . 2 534 . 61 GLN N N 120.0 . 1 535 . 61 GLN H H 7.98 . 1 536 . 61 GLN CA C 57.6 . 1 537 . 61 GLN HA H 4.16 . 1 538 . 61 GLN CB C 28.7 . 1 539 . 61 GLN HB2 H 2.18 . 2 540 . 61 GLN HB3 H 2.10 . 2 541 . 61 GLN CG C 33.8 . 1 542 . 61 GLN HG2 H 2.40 . 2 543 . 61 GLN HG3 H 2.36 . 2 544 . 61 GLN HE21 H 6.67 . 2 545 . 61 GLN HE22 H 7.33 . 2 546 . 62 ALA N N 122.2 . 1 547 . 62 ALA H H 8.02 . 1 548 . 62 ALA CA C 54.2 . 1 549 . 62 ALA HA H 4.23 . 1 550 . 62 ALA HB H 1.48 . 1 551 . 62 ALA CB C 18.2 . 1 552 . 63 ILE N N 118.0 . 1 553 . 63 ILE H H 7.95 . 1 554 . 63 ILE CA C 63.2 . 1 555 . 63 ILE HA H 3.90 . 1 556 . 63 ILE CB C 38.1 . 1 557 . 63 ILE HB H 1.93 . 1 558 . 63 ILE HG2 H 0.91 . 1 559 . 63 ILE CG2 C 17.5 . 1 560 . 63 ILE CG1 C 28.4 . 1 561 . 63 ILE HG12 H 1.64 . 2 562 . 63 ILE HG13 H 1.18 . 2 563 . 63 ILE HD1 H 0.86 . 1 564 . 63 ILE CD1 C 13.4 . 1 565 . 64 ALA N N 123.7 . 1 566 . 64 ALA H H 8.08 . 1 567 . 64 ALA CA C 54.0 . 1 568 . 64 ALA HA H 4.15 . 1 569 . 64 ALA HB H 1.46 . 1 570 . 64 ALA CB C 18.6 . 1 571 . 65 GLU N N 116.0 . 1 572 . 65 GLU H H 7.98 . 1 573 . 65 GLU CA C 56.9 . 1 574 . 65 GLU HA H 4.24 . 1 575 . 65 GLU CB C 29.5 . 1 576 . 65 GLU HB2 H 2.16 . 2 577 . 65 GLU HB3 H 2.03 . 2 578 . 65 GLU CG C 35.7 . 1 579 . 65 GLU HG2 H 2.39 . 2 580 . 65 GLU HG3 H 2.31 . 2 581 . 66 SER N N 115.3 . 1 582 . 66 SER H H 7.88 . 1 583 . 66 SER CA C 59.2 . 1 584 . 66 SER HA H 4.48 . 1 585 . 66 SER CB C 63.8 . 1 586 . 66 SER HB2 H 3.99 . 1 587 . 66 SER HB3 H 3.99 . 1 588 . 67 THR N N 113.7 . 1 589 . 67 THR H H 8.08 . 1 590 . 67 THR CA C 62.3 . 1 591 . 67 THR HA H 4.42 . 1 592 . 67 THR CB C 70.0 . 1 593 . 67 THR HB H 4.34 . 1 594 . 67 THR HG2 H 1.27 . 1 595 . 67 THR CG2 C 21.5 . 1 596 . 68 GLY N N 110.8 . 1 597 . 68 GLY H H 8.22 . 1 598 . 68 GLY CA C 45.8 . 1 599 . 68 GLY HA2 H 4.07 . 2 600 . 68 GLY HA3 H 4.18 . 2 601 . 69 ILE N N 120.8 . 1 602 . 69 ILE H H 8.16 . 1 603 . 69 ILE CA C 63.5 . 1 604 . 69 ILE HA H 3.92 . 1 605 . 69 ILE CB C 37.8 . 1 606 . 69 ILE HB H 1.91 . 1 607 . 69 ILE HG2 H 0.86 . 1 608 . 69 ILE CG2 C 17.8 . 1 609 . 69 ILE CG1 C 28.9 . 1 610 . 69 ILE HG12 H 1.52 . 2 611 . 69 ILE HG13 H 1.24 . 2 612 . 69 ILE HD1 H 0.89 . 1 613 . 69 ILE CD1 C 13.2 . 1 614 . 70 TYR N N 119.9 . 1 615 . 70 TYR H H 7.93 . 1 616 . 70 TYR CA C 61.3 . 1 617 . 70 TYR HA H 4.15 . 1 618 . 70 TYR CB C 37.6 . 1 619 . 70 TYR HB2 H 3.09 . 1 620 . 70 TYR HB3 H 3.09 . 1 621 . 70 TYR HD1 H 7.04 . 1 622 . 70 TYR HD2 H 7.04 . 1 623 . 70 TYR HE1 H 6.77 . 1 624 . 70 TYR HE2 H 6.77 . 1 625 . 71 SER N N 113.0 . 1 626 . 71 SER H H 7.79 . 1 627 . 71 SER CA C 62.8 . 1 628 . 71 SER HA H 3.90 . 1 629 . 71 SER CB C 61.6 . 1 630 . 71 SER HB2 H 4.04 . 1 631 . 71 SER HB3 H 4.04 . 1 632 . 72 LEU N N 123.5 . 1 633 . 72 LEU H H 7.61 . 1 634 . 72 LEU CA C 57.9 . 1 635 . 72 LEU HA H 4.19 . 1 636 . 72 LEU CB C 41.8 . 1 637 . 72 LEU HB2 H 1.85 . 2 638 . 72 LEU HB3 H 1.80 . 2 639 . 72 LEU CG C 27.0 . 1 640 . 72 LEU HG H 1.71 . 1 641 . 72 LEU HD1 H 0.94 . 2 642 . 72 LEU HD2 H 0.90 . 2 643 . 72 LEU CD1 C 24.6 . 1 644 . 72 LEU CD2 C 24.4 . 1 645 . 73 VAL N N 118.5 . 1 646 . 73 VAL H H 8.03 . 1 647 . 73 VAL CA C 67.1 . 1 648 . 73 VAL HA H 3.56 . 1 649 . 73 VAL CB C 31.4 . 1 650 . 73 VAL HB H 2.23 . 1 651 . 73 VAL HG1 H 1.06 . 2 652 . 73 VAL HG2 H 0.94 . 2 653 . 73 VAL CG1 C 23.2 . 1 654 . 73 VAL CG2 C 21.6 . 1 655 . 74 ILE N N 118.2 . 1 656 . 74 ILE H H 8.05 . 1 657 . 74 ILE CA C 64.5 . 1 658 . 74 ILE HA H 3.65 . 1 659 . 74 ILE CB C 37.1 . 1 660 . 74 ILE HB H 1.83 . 1 661 . 74 ILE HG2 H 0.89 . 1 662 . 74 ILE CG2 C 17.6 . 1 663 . 74 ILE CG1 C 28.9 . 1 664 . 74 ILE HG12 H 1.49 . 2 665 . 74 ILE HG13 H 1.14 . 2 666 . 74 ILE HD1 H 0.75 . 1 667 . 74 ILE CD1 C 12.1 . 1 668 . 75 ALA N N 120.5 . 1 669 . 75 ALA H H 7.63 . 1 670 . 75 ALA CA C 55.2 . 1 671 . 75 ALA HA H 4.04 . 1 672 . 75 ALA HB H 1.53 . 1 673 . 75 ALA CB C 17.9 . 1 674 . 76 LEU N N 118.3 . 1 675 . 76 LEU H H 7.98 . 1 676 . 76 LEU CA C 57.9 . 1 677 . 76 LEU HA H 4.18 . 1 678 . 76 LEU CB C 42.1 . 1 679 . 76 LEU HB2 H 2.04 . 2 680 . 76 LEU HB3 H 1.67 . 2 681 . 76 LEU CG C 26.8 . 1 682 . 76 LEU HG H 1.96 . 1 683 . 76 LEU HD1 H 0.96 . 2 684 . 76 LEU HD2 H 0.97 . 2 685 . 76 LEU CD1 C 25.6 . 1 686 . 76 LEU CD2 C 23.8 . 1 687 . 77 ILE N N 119.5 . 1 688 . 77 ILE H H 8.27 . 1 689 . 77 ILE CA C 65.7 . 1 690 . 77 ILE HA H 3.68 . 1 691 . 77 ILE CB C 37.6 . 1 692 . 77 ILE HB H 2.06 . 1 693 . 77 ILE HG2 H 0.90 . 1 694 . 77 ILE CG2 C 17.2 . 1 695 . 77 ILE CG1 C 29.4 . 1 696 . 77 ILE HG12 H 1.92 . 2 697 . 77 ILE HG13 H 1.05 . 2 698 . 77 ILE HD1 H 0.81 . 1 699 . 77 ILE CD1 C 13.8 . 1 700 . 78 LEU N N 118.0 . 1 701 . 78 LEU H H 8.28 . 1 702 . 78 LEU CA C 57.6 . 1 703 . 78 LEU HA H 4.06 . 1 704 . 78 LEU CB C 41.4 . 1 705 . 78 LEU HB2 H 1.88 . 2 706 . 78 LEU HB3 H 1.50 . 2 707 . 78 LEU CG C 27.0 . 1 708 . 78 LEU HG H 1.90 . 1 709 . 78 LEU HD1 H 0.89 . 2 710 . 78 LEU HD2 H 0.88 . 2 711 . 78 LEU CD1 C 25.5 . 1 712 . 78 LEU CD2 C 22.8 . 1 713 . 79 LEU N N 119.7 . 1 714 . 79 LEU H H 7.80 . 1 715 . 79 LEU CA C 57.4 . 1 716 . 79 LEU HA H 4.07 . 1 717 . 79 LEU CB C 42.5 . 1 718 . 79 LEU HB2 H 1.71 . 2 719 . 79 LEU HB3 H 1.44 . 2 720 . 79 LEU CG C 26.5 . 1 721 . 79 LEU HG H 1.41 . 1 722 . 79 LEU HD1 H 0.84 . 2 723 . 79 LEU HD2 H 0.76 . 2 724 . 79 LEU CD1 C 24.3 . 1 725 . 79 LEU CD2 C 24.2 . 1 726 . 80 TYR N N 117.0 . 1 727 . 80 TYR H H 7.98 . 1 728 . 80 TYR CA C 59.9 . 1 729 . 80 TYR HA H 4.48 . 1 730 . 80 TYR CB C 39.6 . 1 731 . 80 TYR HB2 H 3.17 . 2 732 . 80 TYR HB3 H 2.85 . 2 733 . 80 TYR HD1 H 7.24 . 1 734 . 80 TYR HD2 H 7.24 . 1 735 . 80 TYR HE1 H 6.78 . 1 736 . 80 TYR HE2 H 6.78 . 1 737 . 81 ALA N N 120.4 . 1 738 . 81 ALA H H 8.43 . 1 739 . 81 ALA CA C 52.9 . 1 740 . 81 ALA HA H 4.46 . 1 741 . 81 ALA HB H 1.46 . 1 742 . 81 ALA CB C 19.5 . 1 743 . 82 ASN N N 116.3 . 1 744 . 82 ASN H H 7.88 . 1 745 . 82 ASN CA C 55.5 . 1 746 . 82 ASN HA H 4.65 . 1 747 . 82 ASN CB C 38.5 . 1 748 . 82 ASN HB2 H 2.94 . 2 749 . 82 ASN HB3 H 2.86 . 2 750 . 82 ASN HD21 H 6.67 . 2 751 . 82 ASN HD22 H 7.64 . 2 752 . 83 PRO CD C 50.4 . 1 753 . 83 PRO CA C 64.7 . 1 754 . 83 PRO HA H 4.33 . 1 755 . 83 PRO CB C 31.4 . 1 756 . 83 PRO HB2 H 2.11 . 2 757 . 83 PRO HB3 H 1.25 . 2 758 . 83 PRO CG C 27.3 . 1 759 . 83 PRO HG2 H 1.78 . 2 760 . 83 PRO HG3 H 1.60 . 2 761 . 83 PRO HD2 H 3.68 . 2 762 . 83 PRO HD3 H 3.52 . 2 763 . 84 PHE N N 116.3 . 1 764 . 84 PHE H H 7.90 . 1 765 . 84 PHE CA C 58.3 . 1 766 . 84 PHE HA H 4.57 . 1 767 . 84 PHE CB C 39.3 . 1 768 . 84 PHE HB2 H 3.33 . 2 769 . 84 PHE HB3 H 3.06 . 2 770 . 84 PHE HD1 H 7.28 . 1 771 . 84 PHE HD2 H 7.28 . 1 772 . 85 VAL N N 118.2 . 1 773 . 85 VAL H H 7.55 . 1 774 . 85 VAL CA C 64.3 . 1 775 . 85 VAL HA H 3.90 . 1 776 . 85 VAL CB C 32.1 . 1 777 . 85 VAL HB H 2.17 . 1 778 . 85 VAL HG1 H 1.05 . 2 779 . 85 VAL HG2 H 0.99 . 2 780 . 85 VAL CG1 C 21.4 . 1 781 . 85 VAL CG2 C 21.1 . 1 782 . 86 GLY N N 111.1 . 1 783 . 86 GLY H H 8.39 . 1 784 . 86 GLY CA C 45.8 . 1 785 . 86 GLY HA2 H 3.97 . 1 786 . 86 GLY HA3 H 3.97 . 1 787 . 87 LEU N N 121.1 . 1 788 . 87 LEU H H 7.81 . 1 789 . 87 LEU CA C 56.5 . 1 790 . 87 LEU HA H 4.25 . 1 791 . 87 LEU CB C 42.8 . 1 792 . 87 LEU HB2 H 1.86 . 2 793 . 87 LEU HB3 H 1.63 . 2 794 . 87 LEU CG C 27.0 . 1 795 . 87 LEU HG H 1.77 . 1 796 . 87 LEU HD1 H 1.00 . 2 797 . 87 LEU HD2 H 0.92 . 2 798 . 87 LEU CD1 C 25.1 . 1 799 . 87 LEU CD2 C 23.6 . 1 800 . 88 LEU N N 117.6 . 1 801 . 88 LEU H H 7.78 . 1 802 . 88 LEU CA C 54.9 . 1 803 . 88 LEU HA H 4.38 . 1 804 . 88 LEU CB C 42.0 . 1 805 . 88 LEU HB2 H 1.79 . 2 806 . 88 LEU HB3 H 1.65 . 2 807 . 88 LEU CG C 27.3 . 1 808 . 88 LEU HG H 1.68 . 1 809 . 88 LEU HD1 H 0.94 . 2 810 . 88 LEU HD2 H 0.87 . 2 811 . 88 LEU CD1 C 25.6 . 1 812 . 88 LEU CD2 C 22.9 . 1 813 . 89 GLY N N 113.6 . 1 814 . 89 GLY H H 7.67 . 1 815 . 89 GLY CA C 46.2 . 1 816 . 89 GLY HA2 H 3.77 . 2 817 . 89 GLY HA3 H 3.74 . 2 stop_ save_