data_6489 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Chemical shift assignments for subunit c of the F1Fo ATP Synthase from Bacillus PS3 ; _BMRB_accession_number 6489 _BMRB_flat_file_name bmr6489.str _Entry_type original _Submission_date 2005-02-04 _Accession_date 2005-02-04 _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 Nakano Takayuki . . 2 Ikegami Takahisa . . 3 Suzuki Toshiharu . . 4 Yoshida Masasuke . . 5 Akutsu Hideo . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 380 "13C chemical shifts" 306 "15N chemical shifts" 67 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2006-04-24 original author . stop_ _Original_release_date 2006-04-24 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; A New Solution Structure of ATP Synthase Subunit c from Thermophilic Bacillus PS3, Suggesting a Local Conformational Change for H(+)-Translocation ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 16497328 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Nakano Takayuki . . 2 Ikegami Takahisa . . 3 Suzuki Toshiharu . . 4 Yoshida Masasuke . . 5 Akutsu Hideo . . stop_ _Journal_abbreviation 'J. Mol. Biol.' _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year 2006 _Details . loop_ _Keyword 'ATP synthase' 'membrane protein' stop_ save_ ################################## # Molecular system description # ################################## save_assembly_F1Fo-ATP _Saveframe_category molecular_system _Mol_system_name 'F1Fo-ATP synthase subunit c' _Abbreviation_common 'F1Fo-ATP synthase' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label F1Fo-c $F1Fo-c stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'not reported' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_F1Fo-c _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'F1Fo-ATP synthase subunit c' _Abbreviation_common 'F1Fo-ATP synthase' _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 72 _Mol_residue_sequence ; MSLGVLAAAIAVGLGALGAG IGNGLIVSRTIEGIARQPEL RPVLQTTMFIGVALVEALPI IGVVFSFIYLGR ; loop_ _Residue_seq_code _Residue_label 1 MET 2 SER 3 LEU 4 GLY 5 VAL 6 LEU 7 ALA 8 ALA 9 ALA 10 ILE 11 ALA 12 VAL 13 GLY 14 LEU 15 GLY 16 ALA 17 LEU 18 GLY 19 ALA 20 GLY 21 ILE 22 GLY 23 ASN 24 GLY 25 LEU 26 ILE 27 VAL 28 SER 29 ARG 30 THR 31 ILE 32 GLU 33 GLY 34 ILE 35 ALA 36 ARG 37 GLN 38 PRO 39 GLU 40 LEU 41 ARG 42 PRO 43 VAL 44 LEU 45 GLN 46 THR 47 THR 48 MET 49 PHE 50 ILE 51 GLY 52 VAL 53 ALA 54 LEU 55 VAL 56 GLU 57 ALA 58 LEU 59 PRO 60 ILE 61 ILE 62 GLY 63 VAL 64 VAL 65 PHE 66 SER 67 PHE 68 ILE 69 TYR 70 LEU 71 GLY 72 ARG stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2014-11-15 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 BMRB 11550 thermophilic_Foc-subunit_ring 100.00 72 98.61 98.61 6.16e-38 PDB 1WU0 "Solution Structure Of Subunit C Of F1fo-Atp Synthase From The Thermophilic Bacillus Ps3" 100.00 72 100.00 100.00 1.52e-38 DBJ BAA07244 "ATPase subunit c [ [[Bacillus] caldotenax]" 100.00 72 98.61 98.61 1.83e-37 DBJ BAA07251 "ATPase subunit c [Geobacillus stearothermophilus]" 100.00 72 98.61 98.61 6.87e-38 DBJ BAD77648 "F0F1-type ATP synthaseC chain [Geobacillus kaustophilus HTA426]" 100.00 72 100.00 100.00 1.52e-38 DBJ GAD12918 "ATP synthase subunitc [Geobacillus kaustophilus GBlys]" 81.94 59 98.31 100.00 2.76e-30 DBJ GAJ57176 "F0F1 ATP synthase subunit C [Geobacillus thermoleovorans B23]" 81.94 59 98.31 100.00 2.76e-30 EMBL CAA30649 "unnamed protein product [Bacillus sp. PS3]" 100.00 72 100.00 100.00 1.52e-38 GB ACX79968 "ATP synthase F0, C subunit [Geobacillus sp. Y412MC61]" 100.00 72 100.00 100.00 1.52e-38 GB ADI28261 "ATP synthase F0, C subunit [Geobacillus sp. C56-T3]" 100.00 72 100.00 100.00 1.52e-38 GB ADU95796 "ATP synthase F0, C subunit [Geobacillus sp. Y412MC52]" 100.00 72 100.00 100.00 1.52e-38 GB AEV21076 "ATP synthase subunit c [Geobacillus thermoleovorans CCB_US3_UF5]" 81.94 59 98.31 100.00 2.76e-30 GB AGE23948 "ATP synthase component F0 subunit gamma [Geobacillus sp. GHH01]" 100.00 72 100.00 100.00 1.52e-38 PIR LWHWA3 "H+-transporting two-sector ATPase (EC 3.6.3.14) lipid-binding protein - thermophilic bacterium PS-3" 100.00 72 100.00 100.00 1.52e-38 REF WP_011232830 "MULTISPECIES: F0F1 ATP synthase subunit C [Geobacillus]" 100.00 72 100.00 100.00 1.52e-38 REF WP_014196950 "F0F1 ATP synthase subunit C [Geobacillus thermoleovorans]" 81.94 59 98.31 100.00 2.76e-30 REF YP_003254450 "F0F1 ATP synthase subunit C [Geobacillus sp. Y412MC61]" 100.00 72 100.00 100.00 1.52e-38 REF YP_003672838 "ATP synthase F0 C subunit [Geobacillus sp. C56-T3]" 100.00 72 100.00 100.00 1.52e-38 REF YP_004133939 "ATP synthase F0 subunit C [Geobacillus sp. Y412MC52]" 100.00 72 100.00 100.00 1.52e-38 SP P00845 "RecName: Full=ATP synthase subunit c; AltName: Full=ATP synthase F(0) sector subunit c; AltName: Full=F-type ATPase subunit c; " 100.00 72 100.00 100.00 1.52e-38 SP P41015 "RecName: Full=ATP synthase subunit c; AltName: Full=ATP synthase F(0) sector subunit c; AltName: Full=F-type ATPase subunit c; " 100.00 72 98.61 98.61 1.83e-37 SP P42011 "RecName: Full=ATP synthase subunit c; AltName: Full=ATP synthase F(0) sector subunit c; AltName: Full=F-type ATPase subunit c; " 100.00 72 98.61 98.61 6.87e-38 SP Q5KUI8 "RecName: Full=ATP synthase subunit c; AltName: Full=ATP synthase F(0) sector subunit c; AltName: Full=F-type ATPase subunit c; " 100.00 72 100.00 100.00 1.52e-38 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $F1Fo-c 'Thermophilic Bacillus PS3' 2334 Bacteria . Bacillus 'Bacillus sp. PS3' stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_type _Vector_name $F1Fo-c 'recombinant technology' 'E. coli' . . . Plasmid . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $F1Fo-c 2 mM . CDCl3 75 % [U-2D] CD3OH 25 % [U-2D] stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $F1Fo-c 2 mM [U-15N] CDCl3 75 % [U-2D] CD3OH 25 % [U-2D] stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $F1Fo-c 2 mM '[U-13C; U-15N]' CDCl3 75 % [U-2D] CD3OH 25 % [U-2D] stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name NMRPipe _Version 2.2 loop_ _Task processing stop_ _Details 'Delaglio, F.' save_ save_software_2 _Saveframe_category software _Name Sparky _Version 3.106 loop_ _Task 'data analysis' stop_ _Details 'Goddard, T.D.' save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 800 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 600 _Details . save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 500 _Details . save_ ############################# # NMR applied experiments # ############################# save_15N-1N-HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name 15N-1N-HSQC _Sample_label $sample_2 save_ save_2D_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name 2D_NOESY _Sample_label $sample_1 save_ save_CBCA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name CBCA(CO)NH _Sample_label $sample_3 save_ save_CBCANH_4 _Saveframe_category NMR_applied_experiment _Experiment_name CBCANH _Sample_label $sample_3 save_ save_HNCO_5 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _Sample_label $sample_3 save_ save_HN(CA)CO_6 _Saveframe_category NMR_applied_experiment _Experiment_name HN(CA)CO _Sample_label $sample_3 save_ save_HBHANH_7 _Saveframe_category NMR_applied_experiment _Experiment_name HBHANH _Sample_label $sample_3 save_ save_HBHA(CO)NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name HBHA(CO)NH _Sample_label $sample_3 save_ save_H(CCO)NH_9 _Saveframe_category NMR_applied_experiment _Experiment_name H(CCO)NH _Sample_label $sample_3 save_ save_C(CO)NH_10 _Saveframe_category NMR_applied_experiment _Experiment_name C(CO)NH _Sample_label $sample_3 save_ save_15N-1N-HSQC _Saveframe_category NMR_applied_experiment _Experiment_name 15N-1N-HSQC _BMRB_pulse_sequence_accession_number . _Details . save_ save_2D_NOESY _Saveframe_category NMR_applied_experiment _Experiment_name 2D_NOESY _BMRB_pulse_sequence_accession_number . _Details . save_ save_CBCA(CO)NH _Saveframe_category NMR_applied_experiment _Experiment_name CBCA(CO)NH _BMRB_pulse_sequence_accession_number . _Details . save_ save_CBCANH _Saveframe_category NMR_applied_experiment _Experiment_name CBCANH _BMRB_pulse_sequence_accession_number . _Details . save_ save_HNCO _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _BMRB_pulse_sequence_accession_number . _Details . save_ save_HN(CA)CO _Saveframe_category NMR_applied_experiment _Experiment_name HN(CA)CO _BMRB_pulse_sequence_accession_number . _Details . save_ save_HBHANH _Saveframe_category NMR_applied_experiment _Experiment_name HBHANH _BMRB_pulse_sequence_accession_number . _Details . save_ save_HBHA(CO)NH _Saveframe_category NMR_applied_experiment _Experiment_name HBHA(CO)NH _BMRB_pulse_sequence_accession_number . _Details . save_ save_H(CCO)NH _Saveframe_category NMR_applied_experiment _Experiment_name H(CCO)NH _BMRB_pulse_sequence_accession_number . _Details . save_ save_C(CO)NH _Saveframe_category NMR_applied_experiment _Experiment_name C(CO)NH _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_condition_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 2 0.1 pH temperature 298 0.01 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_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 _Indirect_shift_ratio_citation_label _Correction_value_citation_label TMS H 1 'methyl protons' ppm 0.0 . direct internal . . 1.0 $citation_1 $citation_1 TMS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 $citation_1 $citation_1 TMS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 $citation_1 $citation_1 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_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label 15N-1N-HSQC 2D_NOESY CBCA(CO)NH CBCANH HNCO HN(CA)CO HBHANH HBHA(CO)NH H(CCO)NH C(CO)NH stop_ loop_ _Sample_label $sample_2 $sample_1 $sample_3 stop_ _Sample_conditions_label $condition_1 _Chem_shift_reference_set_label $reference_1 _Mol_system_component_name F1Fo-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 . 3 LEU H H 9.32 0.02 1 2 . 3 LEU HA H 4.17 0.02 1 3 . 3 LEU HB2 H 1.74 0.02 2 4 . 3 LEU HB3 H 1.27 0.02 2 5 . 3 LEU HG H 1.75 0.02 1 6 . 3 LEU HD1 H 0.93 0.02 2 7 . 3 LEU HD2 H 0.80 0.02 2 8 . 3 LEU C C 177.87 0.05 1 9 . 3 LEU CA C 57.75 0.05 1 10 . 3 LEU CB C 42.05 0.05 1 11 . 3 LEU CG C 27.29 0.05 1 12 . 3 LEU CD1 C 25.04 0.05 2 13 . 3 LEU CD2 C 23.93 0.05 2 14 . 3 LEU N N 123.54 0.05 1 15 . 4 GLY H H 8.65 0.02 1 16 . 4 GLY HA2 H 3.82 0.02 1 17 . 4 GLY HA3 H 3.82 0.02 1 18 . 4 GLY C C 175.04 0.05 1 19 . 4 GLY CA C 47.30 0.05 1 20 . 4 GLY N N 105.24 0.05 1 21 . 5 VAL H H 7.28 0.02 1 22 . 5 VAL HA H 3.72 0.02 1 23 . 5 VAL HB H 2.07 0.02 1 24 . 5 VAL HG1 H 1.00 0.02 2 25 . 5 VAL HG2 H 1.06 0.02 2 26 . 5 VAL C C 176.91 0.05 1 27 . 5 VAL CA C 66.19 0.05 1 28 . 5 VAL CB C 31.90 0.05 1 29 . 5 VAL CG1 C 22.61 0.05 2 30 . 5 VAL CG2 C 21.54 0.05 2 31 . 5 VAL N N 119.48 0.05 1 32 . 6 LEU H H 7.34 0.02 1 33 . 6 LEU HA H 4.09 0.02 1 34 . 6 LEU HB2 H 1.84 0.02 2 35 . 6 LEU HB3 H 1.68 0.02 2 36 . 6 LEU HG H 1.57 0.02 1 37 . 6 LEU HD1 H 0.93 0.02 2 38 . 6 LEU HD2 H 0.98 0.02 2 39 . 6 LEU C C 177.80 0.05 1 40 . 6 LEU CA C 58.02 0.05 1 41 . 6 LEU CB C 41.73 0.05 1 42 . 6 LEU CG C 27.28 0.05 1 43 . 6 LEU CD1 C 24.71 0.05 2 44 . 6 LEU CD2 C 24.34 0.05 2 45 . 6 LEU N N 119.26 0.05 1 46 . 7 ALA H H 8.24 0.02 1 47 . 7 ALA HA H 4.01 0.02 1 48 . 7 ALA HB H 1.56 0.02 1 49 . 7 ALA C C 179.40 0.05 1 50 . 7 ALA CA C 55.45 0.05 1 51 . 7 ALA CB C 18.46 0.05 1 52 . 7 ALA N N 118.97 0.05 1 53 . 8 ALA H H 7.90 0.02 1 54 . 8 ALA HA H 4.09 0.02 1 55 . 8 ALA HB H 1.57 0.02 1 56 . 8 ALA C C 178.33 0.05 1 57 . 8 ALA CA C 55.25 0.05 1 58 . 8 ALA CB C 18.40 0.05 1 59 . 8 ALA N N 119.26 0.05 1 60 . 9 ALA H H 8.26 0.02 1 61 . 9 ALA HA H 4.06 0.02 1 62 . 9 ALA HB H 1.61 0.02 1 63 . 9 ALA C C 180.55 0.05 1 64 . 9 ALA CA C 55.54 0.05 1 65 . 9 ALA CB C 18.37 0.05 1 66 . 9 ALA N N 119.82 0.05 1 67 . 10 ILE H H 8.29 0.02 1 68 . 10 ILE HA H 3.73 0.02 1 69 . 10 ILE HB H 2.00 0.02 1 70 . 10 ILE HG12 H 1.88 0.02 2 71 . 10 ILE HG13 H 1.14 0.02 2 72 . 10 ILE HG2 H 0.95 0.02 1 73 . 10 ILE HD1 H 0.86 0.02 1 74 . 10 ILE C C 177.42 0.05 1 75 . 10 ILE CA C 65.10 0.05 1 76 . 10 ILE CB C 37.89 0.05 1 77 . 10 ILE CG1 C 29.50 0.05 1 78 . 10 ILE CG2 C 17.61 0.05 1 79 . 10 ILE CD1 C 13.58 0.05 1 80 . 10 ILE N N 118.69 0.05 1 81 . 11 ALA H H 8.17 0.02 1 82 . 11 ALA HA H 4.05 0.02 1 83 . 11 ALA HB H 1.63 0.02 1 84 . 11 ALA C C 180.39 0.05 1 85 . 11 ALA CA C 56.05 0.05 1 86 . 11 ALA CB C 18.50 0.05 1 87 . 11 ALA N N 121.91 0.05 1 88 . 12 VAL H H 8.53 0.02 1 89 . 12 VAL HA H 3.71 0.02 1 90 . 12 VAL HB H 2.21 0.02 1 91 . 12 VAL HG1 H 0.99 0.02 1 92 . 12 VAL HG2 H 1.13 0.02 1 93 . 12 VAL C C 178.30 0.05 1 94 . 12 VAL CA C 66.68 0.05 1 95 . 12 VAL CB C 31.71 0.05 1 96 . 12 VAL CG1 C 21.72 0.05 1 97 . 12 VAL CG2 C 23.32 0.05 1 98 . 12 VAL N N 117.74 0.05 1 99 . 13 GLY H H 8.34 0.02 1 100 . 13 GLY HA2 H 3.85 0.02 2 101 . 13 GLY HA3 H 3.87 0.02 2 102 . 13 GLY C C 175.74 0.05 1 103 . 13 GLY CA C 48.04 0.05 1 104 . 13 GLY N N 107.83 0.05 1 105 . 14 LEU H H 8.84 0.02 1 106 . 14 LEU HA H 4.18 0.02 1 107 . 14 LEU HB2 H 1.51 0.02 2 108 . 14 LEU HB3 H 2.01 0.02 2 109 . 14 LEU HG H 1.96 0.02 1 110 . 14 LEU HD1 H 0.89 0.02 1 111 . 14 LEU HD2 H 0.92 0.02 1 112 . 14 LEU C C 180.13 0.05 1 113 . 14 LEU CA C 58.01 0.05 1 114 . 14 LEU CB C 41.83 0.05 1 115 . 14 LEU CG C 27.03 0.05 1 116 . 14 LEU CD1 C 26.22 0.05 1 117 . 14 LEU CD2 C 23.10 0.05 1 118 . 14 LEU N N 121.48 0.05 1 119 . 15 GLY H H 8.45 0.02 1 120 . 15 GLY HA2 H 3.87 0.02 2 121 . 15 GLY C C 175.48 0.05 1 122 . 15 GLY CA C 47.65 0.05 1 123 . 15 GLY N N 107.83 0.05 1 124 . 16 ALA H H 8.65 0.02 1 125 . 16 ALA HA H 4.16 0.02 1 126 . 16 ALA HB H 1.60 0.02 1 127 . 16 ALA C C 180.13 0.05 1 128 . 16 ALA CA C 55.38 0.05 1 129 . 16 ALA CB C 18.46 0.05 1 130 . 16 ALA N N 124.94 0.05 1 131 . 17 LEU H H 8.32 0.02 1 132 . 17 LEU HA H 4.17 0.02 1 133 . 17 LEU HB2 H 1.83 0.02 2 134 . 17 LEU HB3 H 1.88 0.02 2 135 . 17 LEU HG H 2.00 0.02 1 136 . 17 LEU HD1 H 0.99 0.02 2 137 . 17 LEU HD2 H 0.96 0.02 2 138 . 17 LEU C C 179.13 0.05 1 139 . 17 LEU CA C 55.21 0.05 1 140 . 17 LEU CB C 42.03 0.05 1 141 . 17 LEU CG C 27.29 0.05 1 142 . 17 LEU CD1 C 24.82 0.05 2 143 . 17 LEU N N 120.08 0.05 1 144 . 18 GLY H H 8.62 0.02 1 145 . 18 GLY HA2 H 3.80 0.02 2 146 . 18 GLY HA3 H 3.86 0.02 2 147 . 18 GLY C C 175.91 0.05 1 148 . 18 GLY CA C 47.87 0.05 1 149 . 18 GLY N N 105.63 0.05 1 150 . 19 ALA H H 8.50 0.02 1 151 . 19 ALA HA H 4.21 0.02 1 152 . 19 ALA HB H 1.55 0.02 1 153 . 19 ALA C C 180.05 0.05 1 154 . 19 ALA CA C 55.00 0.05 1 155 . 19 ALA CB C 18.22 0.05 1 156 . 19 ALA N N 123.73 0.05 1 157 . 20 GLY H H 8.46 0.02 1 158 . 20 GLY HA2 H 3.90 0.02 2 159 . 20 GLY C C 176.25 0.05 1 160 . 20 GLY CA C 47.71 0.05 1 161 . 20 GLY N N 107.11 0.05 1 162 . 21 ILE H H 8.59 0.02 1 163 . 21 ILE HA H 3.81 0.02 1 164 . 21 ILE HB H 2.00 0.02 1 165 . 21 ILE HG12 H 1.13 0.02 2 166 . 21 ILE HG13 H 1.84 0.02 2 167 . 21 ILE HG2 H 0.95 0.02 1 168 . 21 ILE HD1 H 0.89 0.02 1 169 . 21 ILE C C 178.32 0.05 1 170 . 21 ILE CA C 65.08 0.05 1 171 . 21 ILE CB C 37.95 0.05 1 172 . 21 ILE CG1 C 29.24 0.05 1 173 . 21 ILE CG2 C 17.36 0.05 1 174 . 21 ILE CD1 C 13.34 0.05 1 175 . 21 ILE N N 123.22 0.05 1 176 . 22 GLY H H 8.63 0.02 1 177 . 22 GLY HA2 H 3.79 0.02 2 178 . 22 GLY HA3 H 3.87 0.02 2 179 . 22 GLY C C 175.27 0.05 1 180 . 22 GLY CA C 48.08 0.05 1 181 . 22 GLY N N 106.71 0.05 1 182 . 23 ASN H H 8.47 0.02 1 183 . 23 ASN HA H 4.52 0.02 1 184 . 23 ASN HB2 H 2.96 0.02 2 185 . 23 ASN HB3 H 2.68 0.02 2 186 . 23 ASN HD21 H 6.25 0.02 2 187 . 23 ASN HD22 H 7.37 0.02 2 188 . 23 ASN C C 177.46 0.05 1 189 . 23 ASN CA C 56.86 0.05 1 190 . 23 ASN CB C 39.14 0.05 1 191 . 23 ASN N N 118.68 0.05 1 192 . 24 GLY H H 8.29 0.02 1 193 . 24 GLY HA2 H 3.84 0.02 2 194 . 24 GLY C C 176.65 0.05 1 195 . 24 GLY CA C 47.73 0.05 1 196 . 24 GLY N N 106.99 0.05 1 197 . 25 LEU H H 8.60 0.02 1 198 . 25 LEU HA H 4.10 0.02 1 199 . 25 LEU HB2 H 2.10 0.02 2 200 . 25 LEU HB3 H 1.58 0.02 2 201 . 25 LEU HG H 1.89 0.02 1 202 . 25 LEU HD1 H 0.91 0.02 1 203 . 25 LEU HD2 H 0.91 0.02 1 204 . 25 LEU C C 178.61 0.05 1 205 . 25 LEU CA C 58.55 0.05 1 206 . 25 LEU CB C 41.80 0.05 1 207 . 25 LEU CG C 26.80 0.05 1 208 . 25 LEU CD1 C 25.72 0.05 1 209 . 25 LEU CD2 C 23.42 0.05 1 210 . 25 LEU N N 124.69 0.05 1 211 . 26 ILE H H 8.00 0.02 1 212 . 26 ILE HA H 3.72 0.02 1 213 . 26 ILE HB H 2.07 0.02 1 214 . 26 ILE HG12 H 1.15 0.02 2 215 . 26 ILE HG13 H 1.84 0.02 2 216 . 26 ILE HG2 H 0.93 0.02 1 217 . 26 ILE HD1 H 0.87 0.02 1 218 . 26 ILE C C 179.80 0.05 1 219 . 26 ILE CA C 65.48 0.05 1 220 . 26 ILE CB C 37.83 0.05 1 221 . 26 ILE CG1 C 29.21 0.05 1 222 . 26 ILE CG2 C 17.48 0.05 1 223 . 26 ILE CD1 C 13.22 0.05 1 224 . 26 ILE N N 119.57 0.05 1 225 . 27 VAL H H 8.68 0.02 1 226 . 27 VAL HA H 3.58 0.02 1 227 . 27 VAL HB H 2.19 0.02 1 228 . 27 VAL HG1 H 1.00 0.02 1 229 . 27 VAL HG2 H 1.13 0.02 1 230 . 27 VAL C C 177.93 0.05 1 231 . 27 VAL CA C 67.73 0.05 1 232 . 27 VAL CB C 31.88 0.05 1 233 . 27 VAL CG1 C 21.75 0.05 1 234 . 27 VAL CG2 C 23.27 0.05 1 235 . 27 VAL N N 122.55 0.05 1 236 . 28 SER H H 8.31 0.02 1 237 . 28 SER HA H 4.10 0.02 1 238 . 28 SER HB2 H 3.98 0.02 1 239 . 28 SER HB3 H 3.98 0.02 1 240 . 28 SER HG H 4.38 0.02 1 241 . 28 SER C C 175.95 0.05 1 242 . 28 SER CA C 62.31 0.05 1 243 . 28 SER CB C 63.09 0.05 1 244 . 28 SER N N 114.83 0.05 1 245 . 29 ARG H H 8.36 0.02 1 246 . 29 ARG HA H 4.10 0.02 1 247 . 29 ARG HB2 H 2.01 0.02 2 248 . 29 ARG HB3 H 1.80 0.02 2 249 . 29 ARG HG2 H 1.27 0.02 2 250 . 29 ARG HG3 H 1.25 0.02 2 251 . 29 ARG HD2 H 3.27 0.02 2 252 . 29 ARG HD3 H 3.14 0.02 2 253 . 29 ARG C C 178.64 0.05 1 254 . 29 ARG CA C 58.55 0.05 1 255 . 29 ARG CB C 29.64 0.05 1 256 . 29 ARG CG C 28.03 0.05 1 257 . 29 ARG CD C 42.82 0.05 1 258 . 29 ARG N N 120.75 0.05 1 259 . 30 THR H H 8.05 0.02 1 260 . 30 THR HA H 4.47 0.02 1 261 . 30 THR HB H 3.94 0.02 1 262 . 30 THR HG2 H 1.28 0.02 1 263 . 30 THR C C 175.93 0.05 1 264 . 30 THR CA C 67.28 0.05 1 265 . 30 THR CB C 68.14 0.05 1 266 . 30 THR CG2 C 21.27 0.05 1 267 . 30 THR N N 117.59 0.05 1 268 . 31 ILE H H 8.27 0.02 1 269 . 31 ILE HA H 3.65 0.02 1 270 . 31 ILE HB H 2.00 0.02 1 271 . 31 ILE HG12 H 1.81 0.02 2 272 . 31 ILE HG13 H 1.20 0.02 2 273 . 31 ILE HG2 H 0.93 0.02 1 274 . 31 ILE HD1 H 0.85 0.02 1 275 . 31 ILE C C 177.66 0.05 1 276 . 31 ILE CA C 65.52 0.05 1 277 . 31 ILE CB C 37.70 0.05 1 278 . 31 ILE CG1 C 28.88 0.05 1 279 . 31 ILE CG2 C 17.42 0.05 1 280 . 31 ILE CD1 C 13.41 0.05 1 281 . 31 ILE N N 121.15 0.05 1 282 . 32 GLU H H 8.17 0.02 1 283 . 32 GLU HA H 3.91 0.02 1 284 . 32 GLU HB2 H 2.25 0.02 2 285 . 32 GLU HB3 H 2.09 0.02 2 286 . 32 GLU HG2 H 2.43 0.02 2 287 . 32 GLU HG3 H 2.61 0.02 2 288 . 32 GLU C C 177.87 0.05 1 289 . 32 GLU CA C 59.23 0.05 1 290 . 32 GLU CB C 27.58 0.05 1 291 . 32 GLU CG C 33.14 0.05 1 292 . 32 GLU N N 117.55 0.05 1 293 . 33 GLY H H 8.11 0.02 1 294 . 33 GLY HA2 H 3.81 0.02 2 295 . 33 GLY C C 175.84 0.05 1 296 . 33 GLY CA C 47.36 0.05 1 297 . 33 GLY N N 105.01 0.05 1 298 . 34 ILE H H 7.82 0.02 1 299 . 34 ILE HA H 3.75 0.02 1 300 . 34 ILE HB H 1.95 0.02 1 301 . 34 ILE HG12 H 1.23 0.02 2 302 . 34 ILE HG13 H 1.13 0.02 2 303 . 34 ILE HG2 H 0.95 0.02 1 304 . 34 ILE HD1 H 0.87 0.02 1 305 . 34 ILE C C 177.98 0.05 1 306 . 34 ILE CA C 64.94 0.05 1 307 . 34 ILE CB C 38.12 0.05 1 308 . 34 ILE CG1 C 28.92 0.05 1 309 . 34 ILE CG2 C 17.72 0.05 1 310 . 34 ILE CD1 C 13.78 0.05 1 311 . 34 ILE N N 122.14 0.05 1 312 . 35 ALA H H 8.32 0.02 1 313 . 35 ALA HA H 4.07 0.02 1 314 . 35 ALA HB H 1.52 0.02 1 315 . 35 ALA C C 178.12 0.05 1 316 . 35 ALA CA C 54.52 0.05 1 317 . 35 ALA CB C 18.84 0.05 1 318 . 35 ALA N N 119.63 0.05 1 319 . 36 ARG H H 7.53 0.02 1 320 . 36 ARG HA H 4.36 0.02 1 321 . 36 ARG HB2 H 2.05 0.02 2 322 . 36 ARG HB3 H 1.90 0.02 2 323 . 36 ARG HG2 H 1.93 0.02 2 324 . 36 ARG HG3 H 1.74 0.02 2 325 . 36 ARG HD2 H 3.16 0.02 1 326 . 36 ARG HD3 H 3.16 0.02 1 327 . 36 ARG C C 176.33 0.05 1 328 . 36 ARG CA C 56.25 0.05 1 329 . 36 ARG CB C 30.75 0.05 1 330 . 36 ARG CG C 27.80 0.05 1 331 . 36 ARG CD C 43.60 0.05 1 332 . 36 ARG N N 112.12 0.05 1 333 . 37 GLN H H 7.80 0.02 1 334 . 37 GLN HA H 4.17 0.02 1 335 . 37 GLN HB2 H 2.21 0.02 1 336 . 37 GLN HB3 H 2.21 0.02 1 337 . 37 GLN HG2 H 2.47 0.02 2 338 . 37 GLN HG3 H 2.79 0.02 2 339 . 37 GLN HE21 H 6.39 0.02 2 340 . 37 GLN HE22 H 7.72 0.02 2 341 . 37 GLN C C 174.92 0.05 1 342 . 37 GLN CA C 56.17 0.05 1 343 . 37 GLN CB C 27.52 0.05 1 344 . 37 GLN CG C 33.85 0.05 1 345 . 37 GLN N N 118.02 0.05 1 346 . 38 PRO HA H 4.24 0.02 1 347 . 38 PRO HB2 H 2.21 0.02 2 348 . 38 PRO HB3 H 1.94 0.02 2 349 . 38 PRO HG2 H 2.02 0.02 2 350 . 38 PRO HG3 H 1.92 0.02 2 351 . 38 PRO HD2 H 3.87 0.02 2 352 . 38 PRO HD3 H 3.72 0.02 2 353 . 38 PRO C C 176.94 0.05 1 354 . 38 PRO CA C 65.54 0.05 1 355 . 38 PRO CB C 31.80 0.05 1 356 . 38 PRO CG C 28.16 0.05 1 357 . 38 PRO CD C 50.49 0.05 1 358 . 39 GLU H H 8.21 0.02 1 359 . 39 GLU HA H 4.30 0.02 1 360 . 39 GLU HB2 H 2.23 0.02 2 361 . 39 GLU HB3 H 2.14 0.02 2 362 . 39 GLU HG2 H 2.54 0.02 2 363 . 39 GLU HG3 H 2.69 0.02 2 364 . 39 GLU C C 175.49 0.05 1 365 . 39 GLU CA C 57.84 0.05 1 366 . 39 GLU CB C 27.25 0.05 1 367 . 39 GLU CG C 33.26 0.05 1 368 . 39 GLU N N 113.32 0.05 1 369 . 40 LEU H H 7.78 0.02 1 370 . 40 LEU HA H 4.37 0.02 1 371 . 40 LEU HB2 H 1.81 0.02 2 372 . 40 LEU HB3 H 1.60 0.02 2 373 . 40 LEU HD1 H 0.97 0.02 2 374 . 40 LEU HD2 H 0.94 0.02 2 375 . 40 LEU C C 178.10 0.05 1 376 . 40 LEU CA C 55.57 0.05 1 377 . 40 LEU CB C 42.88 0.05 1 378 . 40 LEU CD1 C 25.24 0.05 2 379 . 40 LEU CD2 C 23.40 0.05 2 380 . 40 LEU N N 116.7 0.05 1 381 . 41 ARG H H 8.05 0.02 1 382 . 41 ARG HA H 4.37 0.02 1 383 . 41 ARG HB2 H 2.19 0.02 2 384 . 41 ARG HB3 H 1.98 0.02 2 385 . 41 ARG HG2 H 1.98 0.02 2 386 . 41 ARG HG3 H 1.63 0.02 2 387 . 41 ARG HD2 H 3.23 0.02 1 388 . 41 ARG HD3 H 3.23 0.02 1 389 . 41 ARG HE H 7.60 0.02 1 390 . 41 ARG HH11 H 6.84 0.02 1 391 . 41 ARG HH12 H 6.84 0.02 1 392 . 41 ARG HH21 H 7.25 0.02 1 393 . 41 ARG HH22 H 7.25 0.02 1 394 . 41 ARG C C 174.53 0.05 1 395 . 41 ARG CA C 56.23 0.05 1 396 . 41 ARG CB C 31.66 0.05 1 397 . 41 ARG CG C 28.15 0.05 1 398 . 41 ARG CD C 43.15 0.05 1 399 . 41 ARG N N 119.04 0.05 1 400 . 42 PRO HA H 4.41 0.02 1 401 . 42 PRO HB2 H 2.34 0.02 1 402 . 42 PRO HB3 H 2.34 0.02 1 403 . 42 PRO HG2 H 1.86 0.02 1 404 . 42 PRO HG3 H 1.86 0.02 1 405 . 42 PRO HD2 H 3.78 0.02 2 406 . 42 PRO HD3 H 3.62 0.02 2 407 . 42 PRO C C 179.14 0.05 1 408 . 42 PRO CA C 66.08 0.05 1 409 . 42 PRO CB C 31.29 0.05 1 410 . 42 PRO CG C 28.34 0.05 1 411 . 42 PRO CD C 50.19 0.05 1 412 . 43 VAL H H 7.35 0.02 1 413 . 43 VAL HA H 3.70 0.02 1 414 . 43 VAL HB H 2.13 0.02 1 415 . 43 VAL HG1 H 1.01 0.02 1 416 . 43 VAL HG2 H 1.08 0.02 1 417 . 43 VAL C C 178.68 0.05 1 418 . 43 VAL CA C 66.45 0.05 1 419 . 43 VAL CB C 31.88 0.05 1 420 . 43 VAL CG1 C 21.53 0.05 1 421 . 43 VAL CG2 C 22.43 0.05 1 422 . 43 VAL N N 118.48 0.05 1 423 . 44 LEU H H 8.18 0.02 1 424 . 44 LEU HA H 4.07 0.02 1 425 . 44 LEU HB2 H 1.81 0.02 2 426 . 44 LEU HB3 H 1.66 0.02 2 427 . 44 LEU HG H 1.77 0.02 1 428 . 44 LEU HD1 H 0.97 0.02 2 429 . 44 LEU HD2 H 0.92 0.02 2 430 . 44 LEU C C 178.57 0.05 1 431 . 44 LEU CA C 58.36 0.05 1 432 . 44 LEU CB C 41.77 0.05 1 433 . 44 LEU CG C 27.38 0.05 1 434 . 44 LEU CD1 C 25.16 0.05 2 435 . 44 LEU CD2 C 23.96 0.05 2 436 . 44 LEU N N 123.28 0.05 1 437 . 45 GLN H H 8.62 0.02 1 438 . 45 GLN HA H 3.93 0.02 1 439 . 45 GLN HB2 H 2.03 0.02 1 440 . 45 GLN HB3 H 2.03 0.02 1 441 . 45 GLN HG2 H 2.37 0.02 2 442 . 45 GLN HG3 H 2.26 0.02 2 443 . 45 GLN HE21 H 6.98 0.02 2 444 . 45 GLN HE22 H 6.37 0.02 2 445 . 45 GLN C C 177.86 0.05 1 446 . 45 GLN CA C 59.60 0.05 1 447 . 45 GLN CB C 28.87 0.05 1 448 . 45 GLN CG C 34.70 0.05 1 449 . 45 GLN N N 117.00 0.05 1 450 . 46 THR H H 7.90 0.02 1 451 . 46 THR HA H 4.30 0.02 1 452 . 46 THR HB H 3.94 0.02 1 453 . 46 THR HG2 H 1.35 0.02 1 454 . 46 THR C C 175.58 0.05 1 455 . 46 THR CA C 66.55 0.05 1 456 . 46 THR CB C 68.39 0.05 1 457 . 46 THR CG2 C 21.80 0.05 1 458 . 46 THR N N 114.51 0.05 1 459 . 47 THR H H 7.95 0.02 1 460 . 47 THR HA H 4.37 0.02 1 461 . 47 THR HB H 3.86 0.02 1 462 . 47 THR HG2 H 1.32 0.02 1 463 . 47 THR C C 174.95 0.05 1 464 . 47 THR CA C 67.55 0.05 1 465 . 47 THR CB C 68.62 0.05 1 466 . 47 THR CG2 C 21.83 0.05 1 467 . 47 THR N N 116.39 0.05 1 468 . 48 MET H H 7.95 0.02 1 469 . 48 MET HA H 4.16 0.02 1 470 . 48 MET HB2 H 2.45 0.02 2 471 . 48 MET HB3 H 2.28 0.02 2 472 . 48 MET C C 177.17 0.05 1 473 . 48 MET CA C 59.11 0.05 1 474 . 48 MET CB C 32.67 0.05 1 475 . 48 MET N N 118.66 0.05 1 476 . 49 PHE H H 8.08 0.02 1 477 . 49 PHE HA H 4.27 0.02 1 478 . 49 PHE HB2 H 3.30 0.02 2 479 . 49 PHE HB3 H 3.25 0.02 2 480 . 49 PHE HD1 H 7.25 0.02 1 481 . 49 PHE HD2 H 7.25 0.02 1 482 . 49 PHE HE1 H 7.29 0.02 1 483 . 49 PHE HE2 H 7.29 0.02 1 484 . 49 PHE C C 177.04 0.05 1 485 . 49 PHE CA C 61.48 0.05 1 486 . 49 PHE CB C 39.08 0.05 1 487 . 49 PHE CD1 C 131.00 0.05 1 488 . 49 PHE CD2 C 131.00 0.05 1 489 . 49 PHE CE1 C 130.94 0.05 1 490 . 49 PHE CE2 C 130.94 0.05 1 491 . 49 PHE N N 118.39 0.05 1 492 . 50 ILE H H 8.24 0.02 1 493 . 50 ILE HA H 3.64 0.02 1 494 . 50 ILE HB H 2.03 0.02 1 495 . 50 ILE HG12 H 1.26 0.02 2 496 . 50 ILE HG13 H 2.00 0.02 2 497 . 50 ILE HG2 H 0.97 0.02 1 498 . 50 ILE HD1 H 0.93 0.02 1 499 . 50 ILE C C 177.37 0.05 1 500 . 50 ILE CA C 64.99 0.05 1 501 . 50 ILE CB C 37.79 0.05 1 502 . 50 ILE CG1 C 29.66 0.05 1 503 . 50 ILE CG2 C 17.39 0.05 1 504 . 50 ILE CD1 C 13.52 0.05 1 505 . 50 ILE N N 118.26 0.05 1 506 . 51 GLY H H 8.20 0.02 1 507 . 51 GLY HA2 H 3.81 0.02 2 508 . 51 GLY C C 175.06 0.05 1 509 . 51 GLY CA C 48.13 0.05 1 510 . 51 GLY N N 105.72 0.05 1 511 . 52 VAL H H 8.14 0.02 1 512 . 52 VAL HA H 3.59 0.02 1 513 . 52 VAL HB H 2.13 0.02 1 514 . 52 VAL HG1 H 0.93 0.02 1 515 . 52 VAL HG2 H 1.10 0.02 1 516 . 52 VAL C C 177.20 0.05 1 517 . 52 VAL CA C 66.71 0.05 1 518 . 52 VAL CB C 31.61 0.05 1 519 . 52 VAL CG1 C 21.72 0.05 1 520 . 52 VAL CG2 C 23.47 0.05 1 521 . 52 VAL N N 120.32 0.05 1 522 . 53 ALA H H 7.96 0.02 1 523 . 53 ALA HA H 3.96 0.02 1 524 . 53 ALA HB H 1.41 0.02 1 525 . 53 ALA C C 179.70 0.05 1 526 . 53 ALA CA C 55.45 0.05 1 527 . 53 ALA CB C 18.41 0.05 1 528 . 53 ALA N N 121.57 0.05 1 529 . 54 LEU H H 8.22 0.02 1 530 . 54 LEU HA H 4.05 0.02 1 531 . 54 LEU HB2 H 1.97 0.02 2 532 . 54 LEU HB3 H 1.62 0.02 2 533 . 54 LEU HG H 1.89 0.02 1 534 . 54 LEU HD1 H 0.91 0.02 2 535 . 54 LEU HD2 H 0.83 0.02 2 536 . 54 LEU C C 178.89 0.05 1 537 . 54 LEU CA C 58.24 0.05 1 538 . 54 LEU CB C 42.01 0.05 1 539 . 54 LEU CG C 27.08 0.05 1 540 . 54 LEU CD1 C 25.59 0.05 2 541 . 54 LEU CD2 C 23.83 0.05 2 542 . 54 LEU N N 116.71 0.05 1 543 . 55 VAL H H 7.89 0.02 1 544 . 55 VAL HA H 3.72 0.02 1 545 . 55 VAL HB H 2.28 0.02 1 546 . 55 VAL HG1 H 1.04 0.02 2 547 . 55 VAL HG2 H 1.14 0.02 2 548 . 55 VAL C C 178.18 0.05 1 549 . 55 VAL CA C 66.46 0.05 1 550 . 55 VAL CB C 31.71 0.05 1 551 . 55 VAL CG1 C 23.25 0.05 2 552 . 55 VAL CG2 C 21.90 0.05 2 553 . 55 VAL N N 117.25 0.05 1 554 . 56 GLU H H 8.14 0.02 1 555 . 56 GLU HA H 4.10 0.02 1 556 . 56 GLU HB2 H 2.13 0.02 2 557 . 56 GLU HB3 H 2.26 0.02 2 558 . 56 GLU HG2 H 2.41 0.02 2 559 . 56 GLU HG3 H 2.72 0.02 2 560 . 56 GLU C C 176.56 0.05 1 561 . 56 GLU CA C 58.26 0.05 1 562 . 56 GLU CB C 28.09 0.05 1 563 . 56 GLU CG C 33.78 0.05 1 564 . 56 GLU N N 115.98 0.05 1 565 . 57 ALA H H 7.82 0.02 1 566 . 57 ALA HA H 4.29 0.02 1 567 . 57 ALA HB H 1.57 0.02 1 568 . 57 ALA C C 178.99 0.05 1 569 . 57 ALA CA C 53.57 0.05 1 570 . 57 ALA CB C 19.43 0.05 1 571 . 57 ALA N N 117.48 0.05 1 572 . 58 LEU H H 7.81 0.02 1 573 . 58 LEU HA H 4.17 0.02 1 574 . 58 LEU HB2 H 2.07 0.02 2 575 . 58 LEU HB3 H 1.61 0.02 2 576 . 58 LEU HG H 1.64 0.02 1 577 . 58 LEU C C 175.74 0.05 1 578 . 58 LEU CA C 59.89 0.05 1 579 . 58 LEU CB C 39.75 0.05 1 580 . 58 LEU CG C 28.80 0.05 1 581 . 58 LEU N N 118.48 0.05 1 582 . 59 PRO HA H 4.30 0.02 1 583 . 59 PRO HB2 H 2.34 0.02 2 584 . 59 PRO HB3 H 2.21 0.02 2 585 . 59 PRO HG2 H 1.94 0.02 2 586 . 59 PRO HG3 H 1.83 0.02 2 587 . 59 PRO HD2 H 3.74 0.02 2 588 . 59 PRO HD3 H 3.86 0.02 2 589 . 59 PRO C C 177.86 0.05 1 590 . 59 PRO CA C 66.09 0.05 1 591 . 59 PRO CB C 31.67 0.05 1 592 . 59 PRO CG C 28.70 0.05 1 593 . 59 PRO CD C 50.32 0.05 1 594 . 60 ILE H H 7.10 0.02 1 595 . 60 ILE HA H 3.74 0.02 1 596 . 60 ILE HB H 2.11 0.02 1 597 . 60 ILE HG12 H 1.72 0.02 2 598 . 60 ILE HG13 H 1.24 0.02 2 599 . 60 ILE HG2 H 0.97 0.02 1 600 . 60 ILE HD1 H 0.98 0.02 1 601 . 60 ILE C C 177.59 0.05 1 602 . 60 ILE CA C 64.28 0.05 1 603 . 60 ILE CB C 37.80 0.05 1 604 . 60 ILE CG1 C 28.90 0.05 1 605 . 60 ILE CG2 C 17.86 0.05 1 606 . 60 ILE CD1 C 13.14 0.05 1 607 . 60 ILE N N 114.87 0.05 1 608 . 61 ILE H H 8.06 0.02 1 609 . 61 ILE HA H 3.60 0.02 1 610 . 61 ILE HB H 1.98 0.02 1 611 . 61 ILE HG12 H 1.19 0.02 2 612 . 61 ILE HG13 H 1.72 0.02 2 613 . 61 ILE HG2 H 0.83 0.02 1 614 . 61 ILE HD1 H 0.88 0.02 1 615 . 61 ILE C C 178.07 0.05 1 616 . 61 ILE CA C 65.13 0.05 1 617 . 61 ILE CB C 37.67 0.05 1 618 . 61 ILE CG1 C 29.15 0.05 1 619 . 61 ILE CG2 C 17.73 0.05 1 620 . 61 ILE CD1 C 13.26 0.05 1 621 . 61 ILE N N 119.72 0.05 1 622 . 62 GLY H H 8.42 0.02 1 623 . 62 GLY HA2 H 3.81 0.02 2 624 . 62 GLY C C 176.30 0.05 1 625 . 62 GLY CA C 47.92 0.05 1 626 . 62 GLY N N 104.84 0.05 1 627 . 63 VAL H H 8.01 0.02 1 628 . 63 VAL HA H 3.72 0.02 1 629 . 63 VAL HB H 2.35 0.02 1 630 . 63 VAL HG1 H 0.99 0.02 1 631 . 63 VAL HG2 H 1.18 0.02 1 632 . 63 VAL C C 177.71 0.05 1 633 . 63 VAL CA C 67.26 0.05 1 634 . 63 VAL CB C 31.80 0.05 1 635 . 63 VAL CG1 C 21.93 0.05 1 636 . 63 VAL CG2 C 23.30 0.05 1 637 . 63 VAL N N 123.87 0.05 1 638 . 64 VAL H H 8.25 0.02 1 639 . 64 VAL HA H 3.63 0.02 1 640 . 64 VAL HB H 2.24 0.02 1 641 . 64 VAL HG1 H 0.99 0.02 2 642 . 64 VAL HG2 H 1.11 0.02 2 643 . 64 VAL C C 178.06 0.05 1 644 . 64 VAL CA C 67.65 0.05 1 645 . 64 VAL CB C 31.60 0.05 1 646 . 64 VAL CG1 C 23.10 0.05 2 647 . 64 VAL CG2 C 21.71 0.05 2 648 . 64 VAL N N 120.54 0.05 1 649 . 65 PHE H H 8.94 0.02 1 650 . 65 PHE HA H 4.27 0.02 1 651 . 65 PHE HB2 H 3.30 0.02 2 652 . 65 PHE HB3 H 3.21 0.02 2 653 . 65 PHE HD1 H 7.20 0.02 1 654 . 65 PHE HD2 H 7.20 0.02 1 655 . 65 PHE HE1 H 7.20 0.02 1 656 . 65 PHE HE2 H 7.20 0.02 1 657 . 65 PHE C C 177.75 0.05 1 658 . 65 PHE CA C 61.49 0.05 1 659 . 65 PHE CB C 38.93 0.05 1 660 . 65 PHE CD1 C 130.99 0.05 1 661 . 65 PHE CD2 C 130.99 0.05 1 662 . 65 PHE CE1 C 130.99 0.05 1 663 . 65 PHE CE2 C 130.99 0.05 1 664 . 65 PHE N N 117.45 0.05 1 665 . 66 SER H H 8.15 0.02 1 666 . 66 SER HA H 4.20 0.02 1 667 . 66 SER HB2 H 3.94 0.02 1 668 . 66 SER HB3 H 3.94 0.02 1 669 . 66 SER HG H 4.37 0.02 1 670 . 66 SER C C 175.18 0.05 1 671 . 66 SER CA C 62.14 0.05 1 672 . 66 SER CB C 63.25 0.05 1 673 . 66 SER N N 114.81 0.05 1 674 . 67 PHE H H 8.20 0.02 1 675 . 67 PHE HA H 4.27 0.02 1 676 . 67 PHE HB2 H 3.32 0.02 2 677 . 67 PHE HB3 H 3.25 0.02 2 678 . 67 PHE HD1 H 7.26 0.02 1 679 . 67 PHE HD2 H 7.26 0.02 1 680 . 67 PHE HE1 H 7.25 0.02 1 681 . 67 PHE HE2 H 7.25 0.02 1 682 . 67 PHE C C 177.71 0.05 1 683 . 67 PHE CA C 61.45 0.05 1 684 . 67 PHE CB C 39.28 0.05 1 685 . 67 PHE CD1 C 131.60 0.05 1 686 . 67 PHE CD2 C 131.60 0.05 1 687 . 67 PHE CE1 C 131.22 0.05 1 688 . 67 PHE CE2 C 131.22 0.05 1 689 . 67 PHE N N 121.47 0.05 1 690 . 68 ILE H H 8.12 0.02 1 691 . 68 ILE HA H 3.66 0.02 1 692 . 68 ILE HB H 1.86 0.02 1 693 . 68 ILE HG12 H 1.80 0.02 2 694 . 68 ILE HG13 H 1.18 0.02 2 695 . 68 ILE HG2 H 0.70 0.02 1 696 . 68 ILE HD1 H 0.80 0.02 1 697 . 68 ILE C C 177.55 0.05 1 698 . 68 ILE CA C 64.68 0.05 1 699 . 68 ILE CB C 37.86 0.05 1 700 . 68 ILE CG1 C 28.59 0.05 1 701 . 68 ILE CG2 C 17.27 0.05 1 702 . 68 ILE CD1 C 13.41 0.05 1 703 . 68 ILE N N 118.09 0.05 1 704 . 69 TYR H H 8.25 0.02 1 705 . 69 TYR HA H 4.18 0.02 1 706 . 69 TYR HB2 H 2.97 0.02 2 707 . 69 TYR HB3 H 2.76 0.02 2 708 . 69 TYR HD1 H 6.97 0.02 1 709 . 69 TYR HD2 H 6.97 0.02 1 710 . 69 TYR HE1 H 6.67 0.02 1 711 . 69 TYR HE2 H 6.67 0.02 1 712 . 69 TYR C C 177.30 0.05 1 713 . 69 TYR CA C 61.16 0.05 1 714 . 69 TYR CB C 38.85 0.05 1 715 . 69 TYR CD1 C 132.79 0.05 1 716 . 69 TYR CD2 C 132.79 0.05 1 717 . 69 TYR CE1 C 117.82 0.05 1 718 . 69 TYR CE2 C 117.82 0.05 1 719 . 69 TYR N N 117.54 0.05 1 720 . 70 LEU H H 8.00 0.02 1 721 . 70 LEU HA H 4.26 0.02 1 722 . 70 LEU HB2 H 1.90 0.02 2 723 . 70 LEU HB3 H 1.59 0.02 2 724 . 70 LEU HG H 1.85 0.02 1 725 . 70 LEU HD1 H 0.95 0.02 1 726 . 70 LEU HD2 H 0.87 0.02 1 727 . 70 LEU C C 177.66 0.05 1 728 . 70 LEU CA C 56.03 0.05 1 729 . 70 LEU CB C 42.47 0.05 1 730 . 70 LEU CG C 27.28 0.05 1 731 . 70 LEU CD1 C 25.48 0.05 1 732 . 70 LEU CD2 C 23.38 0.05 1 733 . 70 LEU N N 116.53 0.05 1 734 . 71 GLY H H 8.02 0.02 1 735 . 71 GLY HA2 H 3.94 0.02 2 736 . 71 GLY HA3 H 3.68 0.02 2 737 . 71 GLY C C 173.51 0.05 1 738 . 71 GLY CA C 45.89 0.05 1 739 . 71 GLY N N 106.34 0.05 1 740 . 72 ARG H H 7.54 0.02 1 741 . 72 ARG HA H 4.34 0.02 1 742 . 72 ARG HB2 H 1.79 0.02 2 743 . 72 ARG HB3 H 1.92 0.02 2 744 . 72 ARG HG2 H 1.60 0.02 1 745 . 72 ARG HG3 H 1.60 0.02 1 746 . 72 ARG HD2 H 3.13 0.02 2 747 . 72 ARG HD3 H 3.07 0.02 2 748 . 72 ARG C C 176.40 0.05 1 749 . 72 ARG CA C 54.40 0.05 1 750 . 72 ARG CB C 30.51 0.05 1 751 . 72 ARG CG C 28.29 0.05 1 752 . 72 ARG CD C 43.29 0.05 1 753 . 72 ARG N N 116.76 0.05 1 stop_ save_