data_4496 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution nmr structure of the mitochondrial protein import receptor Tom20 from rat in a complex with a presequence peptide derived from rat aldehyde dehydrogenase (ALDH) ; _BMRB_accession_number 4496 _BMRB_flat_file_name bmr4496.str _Entry_type original _Submission_date 1999-04-24 _Accession_date 1999-12-06 _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 Abe Y. . . 2 Shodai T. . . 3 Muto T. . . 4 Mihara K. . . 5 Torii H. . . 6 Nishikawa S. . . 7 Endo T. . . 8 Kohda D. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 579 "13C chemical shifts" 416 "15N chemical shifts" 101 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2000-03-23 original author . stop_ _Original_release_date 2000-03-23 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Structure Basis of Presequence Recognition by the Mitochondrial Protein Import Receptor Tom20 ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code 20185067 _PubMed_ID 10721992 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Abe Y. . . 2 Shodai T. . . 3 Muto T. . . 4 Mihara K. . . 5 Torii H. . . 6 Nishikawa S. . . 7 Endo T. . . 8 Kohda D. . . stop_ _Journal_abbreviation Cell _Journal_name_full Cell _Journal_volume 100 _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 551 _Page_last 560 _Year 2000 _Details . loop_ _Keyword 'mitochondrial protein import across outer membrane' 'receptor for presequences' 'mitochondrial targeting signal' 'presequence peptide' stop_ save_ ################################## # Molecular system description # ################################## save_system_Tom20 _Saveframe_category molecular_system _Mol_system_name Tom20 _Abbreviation_common Tom20 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label Tom20 $Tom20 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'fully reduced' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_Tom20 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Tom20 _Abbreviation_common Tom20 _Molecular_mass . _Mol_thiol_state 'fully reduced' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 95 _Mol_residue_sequence ; RAGLSKLPDLKDAEAVQKFF LEEIQLGEELLAQGDYEKGV DHLTNAIAVCGQPQQLLQVL QQTLPPPVFQMLLTKLPTIS QRIVSAQSLGEDDVE ; loop_ _Residue_seq_code _Residue_label 1 ARG 2 ALA 3 GLY 4 LEU 5 SER 6 LYS 7 LEU 8 PRO 9 ASP 10 LEU 11 LYS 12 ASP 13 ALA 14 GLU 15 ALA 16 VAL 17 GLN 18 LYS 19 PHE 20 PHE 21 LEU 22 GLU 23 GLU 24 ILE 25 GLN 26 LEU 27 GLY 28 GLU 29 GLU 30 LEU 31 LEU 32 ALA 33 GLN 34 GLY 35 ASP 36 TYR 37 GLU 38 LYS 39 GLY 40 VAL 41 ASP 42 HIS 43 LEU 44 THR 45 ASN 46 ALA 47 ILE 48 ALA 49 VAL 50 CYS 51 GLY 52 GLN 53 PRO 54 GLN 55 GLN 56 LEU 57 LEU 58 GLN 59 VAL 60 LEU 61 GLN 62 GLN 63 THR 64 LEU 65 PRO 66 PRO 67 PRO 68 VAL 69 PHE 70 GLN 71 MET 72 LEU 73 LEU 74 THR 75 LYS 76 LEU 77 PRO 78 THR 79 ILE 80 SER 81 GLN 82 ARG 83 ILE 84 VAL 85 SER 86 ALA 87 GLN 88 SER 89 LEU 90 GLY 91 GLU 92 ASP 93 ASP 94 VAL 95 GLU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-06-12 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 1OM2 "Solution Nmr Structure Of The Mitochondrial Protein Import Receptor Tom20 From Rat In A Complex With A Presequence Peptide Deri" 100.00 95 100.00 100.00 4.72e-59 PDB 2V1S "Crystal Structure Of Rat Tom20-Aldh Presequence Complex" 71.58 73 100.00 100.00 2.11e-38 PDB 2V1T "Crystal Structure Of Rat Tom20-Aldh Presequence Complex" 71.58 73 98.53 98.53 2.13e-37 PDB 3AWR "Crystal Structure Of Rat Tom20-Aldh Presequence Complex: The Intermolecular Disulfide Bond Was Cleaved In The Crystal Of A Disu" 71.58 73 100.00 100.00 2.11e-38 PDB 3AX2 "Crystal Structure Of Rat Tom20-Aldh Presequence Complex: A Disulfide- Tethered Complex With A Non-Optimized, Long Linker" 71.58 73 100.00 100.00 2.11e-38 PDB 3AX3 "Crystal Structure Of Rat Tom20-Aldh Presequence Complex: A Complex (Form2) Between Tom20 And A Disulfide-Bridged Presequence Pe" 71.58 73 98.53 98.53 3.54e-37 PDB 3AX5 "Crystal Structure Of Rat Tom20-Aldh Presequence Complex: A Complex (Form1) Between Tom20 And A Disulfide-Bridged Presequence Pe" 71.58 73 100.00 100.00 2.11e-38 DBJ BAA02804 "mitochondrial outer membrane protein 19 [Homo sapiens]" 100.00 145 97.89 98.95 1.52e-57 DBJ BAA09714 "mitochondrial precursor receptor [Rattus sp.]" 100.00 145 100.00 100.00 6.32e-59 DBJ BAB22444 "unnamed protein product [Mus musculus]" 100.00 145 98.95 98.95 3.23e-58 DBJ BAE24663 "unnamed protein product [Mus musculus]" 100.00 145 98.95 98.95 3.23e-58 DBJ BAE35669 "unnamed protein product [Mus musculus]" 100.00 145 98.95 98.95 3.23e-58 EMBL CAH91379 "hypothetical protein [Pongo abelii]" 100.00 145 97.89 98.95 1.52e-57 GB AAB01506 "rTOM20 [Rattus norvegicus]" 100.00 145 98.95 98.95 4.68e-58 GB AAB35420 "mitochondrial protein import receptor, huMas20p [human, fibroblast, Peptide Mitochondrial, 145 aa]" 100.00 145 97.89 98.95 1.52e-57 GB AAF13354 "outer membrane receptor Tom20 [Homo sapiens]" 100.00 145 97.89 98.95 1.52e-57 GB AAH00882 "Translocase of outer mitochondrial membrane 20 homolog (yeast) [Homo sapiens]" 100.00 145 97.89 98.95 1.52e-57 GB AAH02087 "Translocase of outer mitochondrial membrane 20 homolog (yeast) [Mus musculus]" 100.00 145 98.95 98.95 3.23e-58 REF NP_001092653 "mitochondrial import receptor subunit TOM20 homolog [Bos taurus]" 100.00 145 97.89 98.95 1.52e-57 REF NP_001127411 "mitochondrial import receptor subunit TOM20 homolog [Pongo abelii]" 100.00 145 97.89 98.95 1.52e-57 REF NP_001232519 "mitochondrial import receptor subunit TOM20 homolog [Taeniopygia guttata]" 53.68 124 98.04 100.00 4.06e-26 REF NP_001247980 "translocase of outer mitochondrial membrane 20 homolog [Macaca mulatta]" 100.00 145 97.89 98.95 1.52e-57 REF NP_055580 "mitochondrial import receptor subunit TOM20 homolog [Homo sapiens]" 100.00 145 97.89 98.95 1.52e-57 SP A6H7B1 "RecName: Full=Mitochondrial import receptor subunit TOM20 homolog; AltName: Full=Mitochondrial 20 kDa outer membrane protein; A" 100.00 145 97.89 98.95 1.52e-57 SP Q15388 "RecName: Full=Mitochondrial import receptor subunit TOM20 homolog; AltName: Full=Mitochondrial 20 kDa outer membrane protein; A" 100.00 145 97.89 98.95 1.52e-57 SP Q5RA31 "RecName: Full=Mitochondrial import receptor subunit TOM20 homolog; AltName: Full=Mitochondrial 20 kDa outer membrane protein; A" 100.00 145 97.89 98.95 1.52e-57 SP Q62760 "RecName: Full=Mitochondrial import receptor subunit TOM20 homolog; AltName: Full=Mitochondrial 20 kDa outer membrane protein; A" 100.00 145 98.95 98.95 3.23e-58 SP Q9DCC8 "RecName: Full=Mitochondrial import receptor subunit TOM20 homolog; AltName: Full=Mitochondrial 20 kDa outer membrane protein; A" 100.00 145 98.95 98.95 3.23e-58 TPG DAA14365 "TPA: mitochondrial import receptor subunit TOM20 homolog [Bos taurus]" 100.00 145 97.89 98.95 1.52e-57 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Organelle _Fraction $Tom20 rat 10116 Eukaryota Metazoa Rattus norvegicus mitochondria 'mitochondrial outer membrane' 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 $Tom20 'recombinant technology' 'Escherichia coli' Escherichia coli BL21(DE3)pLysS plasmid . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details ; 0.5 mM For structure determination 1 mM for 1H-15N heteronuclear experiments 0.2 mM for titration experiments ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Tom20 0.5 mM '[U-13C; U-15N]' stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DMX _Field_strength 600 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DMX _Field_strength 750 _Details . save_ ############################# # NMR applied experiments # ############################# save_HNCA,_HN(CO)CA_1 _Saveframe_category NMR_applied_experiment _Experiment_name 'HNCA, HN(CO)CA' _Sample_label $sample_1 save_ save_CBCA(CO)NH_2 _Saveframe_category NMR_applied_experiment _Experiment_name CBCA(CO)NH _Sample_label $sample_1 save_ save_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _Sample_label $sample_1 save_ save_HBHA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name HBHA(CO)NH _Sample_label $sample_1 save_ save_C(CO)NH-TOCSY_HC(CO)NH-TOCSY_5 _Saveframe_category NMR_applied_experiment _Experiment_name 'C(CO)NH-TOCSY HC(CO)NH-TOCSY' _Sample_label $sample_1 save_ save_HCCH-COSY,_HCCH-TOCSY_6 _Saveframe_category NMR_applied_experiment _Experiment_name 'HCCH-COSY, HCCH-TOCSY' _Sample_label $sample_1 save_ save_15N-resolved_NOESY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '15N-resolved NOESY' _Sample_label $sample_1 save_ save_15N-resolved_TOCSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '15N-resolved TOCSY' _Sample_label $sample_1 save_ save_NOESY_9 _Saveframe_category NMR_applied_experiment _Experiment_name NOESY _Sample_label $sample_1 save_ save_TOCSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name TOCSY _Sample_label $sample_1 save_ save_HNHA_11 _Saveframe_category NMR_applied_experiment _Experiment_name HNHA _Sample_label $sample_1 save_ save_{1H}-15N_NOE_12 _Saveframe_category NMR_applied_experiment _Experiment_name '{1H}-15N NOE' _Sample_label $sample_1 save_ save_3D_F1_13C-filtered-F3_13C-resolved_NOESY_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D F1 13C-filtered-F3 13C-resolved NOESY' _Sample_label $sample_1 save_ save_2D_F1/F2_13C-filtered_NOESY_14 _Saveframe_category NMR_applied_experiment _Experiment_name '2D F1/F2 13C-filtered NOESY' _Sample_label $sample_1 save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name 'HNCA, HN(CO)CA' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name CBCA(CO)NH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_3 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_4 _Saveframe_category NMR_applied_experiment _Experiment_name HBHA(CO)NH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_5 _Saveframe_category NMR_applied_experiment _Experiment_name 'C(CO)NH-TOCSY HC(CO)NH-TOCSY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_6 _Saveframe_category NMR_applied_experiment _Experiment_name 'HCCH-COSY, HCCH-TOCSY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_7 _Saveframe_category NMR_applied_experiment _Experiment_name '15N-resolved NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_8 _Saveframe_category NMR_applied_experiment _Experiment_name '15N-resolved TOCSY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_9 _Saveframe_category NMR_applied_experiment _Experiment_name NOESY _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_10 _Saveframe_category NMR_applied_experiment _Experiment_name TOCSY _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_11 _Saveframe_category NMR_applied_experiment _Experiment_name HNHA _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_12 _Saveframe_category NMR_applied_experiment _Experiment_name '{1H}-15N NOE' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D F1 13C-filtered-F3 13C-resolved NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_14 _Saveframe_category NMR_applied_experiment _Experiment_name '2D F1/F2 13C-filtered NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Saveframe_category sample_conditions _Details 'Sample prepared in D2O' loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.8 . n/a temperature 303 . K 'ionic strength' 0.02 . M pressure 1 . atm stop_ save_ save_sample_cond_2 _Saveframe_category sample_conditions _Details 'Sample prepared in H2O' loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 5.4 . n/a temperature 303 . K 'ionic strength' 0.02 . M pressure 1 . atm stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_one _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 DSS H 1 'methyl protons' ppm 0.0 internal direct . internal . . $entry_citation $entry_citation DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 $entry_citation $entry_citation DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 $entry_citation $entry_citation 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_chem_shift_set_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_cond_1 _Chem_shift_reference_set_label $chemical_shift_reference_one _Mol_system_component_name Tom20 _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 ARG CA C 55.5 0.2 1 2 . 1 ARG HA H 4.01 0.01 1 3 . 1 ARG CB C 30.9 0.2 1 4 . 1 ARG HB2 H 1.92 0.01 1 5 . 1 ARG HB3 H 1.92 0.01 1 6 . 1 ARG CG C 26.3 0.2 1 7 . 1 ARG HG2 H 1.67 0.01 1 8 . 1 ARG HG3 H 1.67 0.01 1 9 . 1 ARG CD C 43.0 0.2 1 10 . 1 ARG HD2 H 3.19 0.01 1 11 . 1 ARG HD3 H 3.19 0.01 1 12 . 2 ALA N N 127.1 0.1 1 13 . 2 ALA H H 8.79 0.01 1 14 . 2 ALA CA C 52.7 0.2 1 15 . 2 ALA HA H 4.37 0.01 1 16 . 2 ALA HB H 1.38 0.01 1 17 . 2 ALA CB C 19.5 0.2 1 18 . 2 ALA C C 172.3 0.2 1 19 . 3 GLY N N 108.8 0.1 1 20 . 3 GLY H H 8.45 0.01 1 21 . 3 GLY CA C 45.3 0.2 1 22 . 3 GLY HA3 H 3.92 0.01 1 23 . 3 GLY HA2 H 3.92 0.01 1 24 . 3 GLY C C 177.6 0.2 1 25 . 4 LEU N N 121.6 0.1 1 26 . 4 LEU H H 8.12 0.01 1 27 . 4 LEU CA C 55.2 0.2 1 28 . 4 LEU HA H 4.37 0.01 1 29 . 4 LEU CB C 42.7 0.2 1 30 . 4 LEU HB2 H 1.58 0.01 1 31 . 4 LEU HB3 H 1.58 0.01 1 32 . 4 LEU CG C 27.2 0.2 1 33 . 4 LEU HG H 1.62 0.01 1 34 . 4 LEU HD1 H 0.87 0.01 2 35 . 4 LEU HD2 H 0.91 0.01 2 36 . 4 LEU CD1 C 23.4 0.2 1 37 . 4 LEU CD2 C 25.1 0.2 1 38 . 4 LEU C C 173.9 0.2 1 39 . 5 SER N N 117.1 0.1 1 40 . 5 SER H H 8.36 0.01 1 41 . 5 SER CA C 58.5 0.2 1 42 . 5 SER HA H 4.41 0.01 1 43 . 5 SER CB C 63.9 0.2 1 44 . 5 SER HB2 H 3.83 0.01 1 45 . 5 SER HB3 H 3.83 0.01 1 46 . 5 SER C C 177.4 0.2 1 47 . 6 LYS N N 122.8 0.1 1 48 . 6 LYS H H 8.23 0.01 1 49 . 6 LYS CA C 55.9 0.2 1 50 . 6 LYS HA H 4.30 0.01 1 51 . 6 LYS CB C 33.4 0.2 1 52 . 6 LYS HB2 H 1.85 0.01 2 53 . 6 LYS HB3 H 1.75 0.01 2 54 . 6 LYS CG C 26.8 0.2 1 55 . 6 LYS HG2 H 1.43 0.01 2 56 . 6 LYS HG3 H 1.68 0.01 2 57 . 6 LYS CD C 27.8 0.2 1 58 . 6 LYS HD2 H 1.69 0.01 2 59 . 6 LYS HD3 H 1.78 0.01 2 60 . 6 LYS CE C 43.4 0.2 1 61 . 6 LYS HE2 H 3.23 0.01 2 62 . 6 LYS HE3 H 3.02 0.01 2 63 . 6 LYS C C 174.1 0.2 1 64 . 7 LEU N N 121.2 0.1 1 65 . 7 LEU H H 7.63 0.01 1 66 . 7 LEU CA C 58.3 0.2 1 67 . 7 LEU HA H 4.16 0.01 1 68 . 7 LEU CB C 40.0 0.2 1 69 . 7 LEU HB2 H 1.93 0.01 2 70 . 7 LEU HB3 H 1.45 0.01 2 71 . 7 LEU CG C 27.4 0.2 1 72 . 7 LEU HG H 2.02 0.01 1 73 . 7 LEU HD1 H 0.91 0.01 2 74 . 7 LEU HD2 H 0.85 0.01 2 75 . 7 LEU CD1 C 25.2 0.2 1 76 . 7 LEU CD2 C 24.0 0.2 1 77 . 7 LEU C C 178.3 0.2 1 78 . 8 PRO CD C 51.0 0.2 1 79 . 8 PRO CA C 65.6 0.2 1 80 . 8 PRO HA H 4.39 0.01 1 81 . 8 PRO CB C 31.5 0.2 1 82 . 8 PRO HB2 H 1.85 0.01 2 83 . 8 PRO HB3 H 2.40 0.01 2 84 . 8 PRO CG C 28.7 0.2 1 85 . 8 PRO HG2 H 2.10 0.01 2 86 . 8 PRO HG3 H 1.88 0.01 2 87 . 8 PRO HD2 H 3.54 0.01 2 88 . 8 PRO HD3 H 3.75 0.01 2 89 . 9 ASP N N 118.5 0.1 1 90 . 9 ASP H H 8.12 0.01 1 91 . 9 ASP CA C 54.0 0.2 1 92 . 9 ASP HA H 4.38 0.01 1 93 . 9 ASP CB C 41.0 0.2 1 94 . 9 ASP HB2 H 2.58 0.01 2 95 . 9 ASP HB3 H 2.73 0.01 2 96 . 9 ASP C C 175.0 0.2 1 97 . 10 LEU N N 124.8 0.1 1 98 . 10 LEU H H 8.03 0.01 1 99 . 10 LEU CA C 55.8 0.2 1 100 . 10 LEU HA H 4.05 0.01 1 101 . 10 LEU CB C 41.4 0.2 1 102 . 10 LEU HB2 H 1.68 0.01 2 103 . 10 LEU HB3 H 1.45 0.01 2 104 . 10 LEU CG C 26.4 0.2 1 105 . 10 LEU HG H 1.68 0.01 1 106 . 10 LEU HD1 H 0.83 0.01 2 107 . 10 LEU HD2 H 0.74 0.01 2 108 . 10 LEU CD1 C 25.6 0.2 1 109 . 10 LEU CD2 C 23.1 0.2 1 110 . 10 LEU C C 176.8 0.2 1 111 . 11 LYS N N 117.8 0.1 1 112 . 11 LYS H H 8.21 0.01 1 113 . 11 LYS CA C 57.1 0.2 1 114 . 11 LYS HA H 4.17 0.01 1 115 . 11 LYS CB C 32.3 0.2 1 116 . 11 LYS HB2 H 1.81 0.01 2 117 . 11 LYS HB3 H 1.67 0.01 2 118 . 11 LYS CG C 25.1 0.2 1 119 . 11 LYS HG2 H 1.40 0.01 1 120 . 11 LYS HG3 H 1.40 0.01 1 121 . 11 LYS CD C 29.0 0.2 1 122 . 11 LYS HD2 H 1.66 0.01 1 123 . 11 LYS HD3 H 1.66 0.01 1 124 . 11 LYS CE C 41.8 0.2 1 125 . 11 LYS HE2 H 2.98 0.01 1 126 . 11 LYS HE3 H 2.98 0.01 1 127 . 11 LYS C C 177.7 0.2 1 128 . 12 ASP N N 119.5 0.1 1 129 . 12 ASP H H 7.73 0.01 1 130 . 12 ASP CA C 52.7 0.2 1 131 . 12 ASP HA H 4.70 0.01 1 132 . 12 ASP CB C 41.3 0.2 1 133 . 12 ASP HB2 H 2.60 0.01 2 134 . 12 ASP HB3 H 3.07 0.01 2 135 . 12 ASP C C 176.2 0.2 1 136 . 13 ALA N N 125.0 0.1 1 137 . 13 ALA H H 8.35 0.01 1 138 . 13 ALA CA C 55.6 0.2 1 139 . 13 ALA HA H 4.00 0.01 1 140 . 13 ALA HB H 1.47 0.01 1 141 . 13 ALA CB C 18.7 0.2 1 142 . 13 ALA C C 175.1 0.2 1 143 . 14 GLU N N 118.3 0.1 1 144 . 14 GLU H H 8.31 0.01 1 145 . 14 GLU CA C 59.5 0.2 1 146 . 14 GLU HA H 4.08 0.01 1 147 . 14 GLU CB C 29.1 0.2 1 148 . 14 GLU HB2 H 2.12 0.01 2 149 . 14 GLU HB3 H 2.40 0.01 2 150 . 14 GLU CG C 36.1 0.2 1 151 . 14 GLU HG2 H 2.32 0.01 1 152 . 14 GLU HG3 H 2.32 0.01 1 153 . 14 GLU C C 180.3 0.2 1 154 . 15 ALA N N 123.3 0.1 1 155 . 15 ALA H H 7.91 0.01 1 156 . 15 ALA CA C 54.7 0.2 1 157 . 15 ALA HA H 4.16 0.01 1 158 . 15 ALA HB H 1.56 0.01 1 159 . 15 ALA CB C 18.6 0.2 1 160 . 15 ALA C C 178.8 0.2 1 161 . 16 VAL N N 119.5 0.1 1 162 . 16 VAL H H 8.35 0.01 1 163 . 16 VAL CA C 67.4 0.2 1 164 . 16 VAL HA H 3.58 0.01 1 165 . 16 VAL CB C 31.7 0.2 1 166 . 16 VAL HB H 2.17 0.01 1 167 . 16 VAL HG1 H 1.06 0.01 2 168 . 16 VAL HG2 H 1.09 0.01 2 169 . 16 VAL CG1 C 22.1 0.2 1 170 . 16 VAL CG2 C 24.3 0.2 1 171 . 16 VAL C C 181.4 0.2 1 172 . 17 GLN N N 119.6 0.1 1 173 . 17 GLN H H 8.07 0.01 1 174 . 17 GLN CA C 59.5 0.2 1 175 . 17 GLN HA H 4.11 0.01 1 176 . 17 GLN CB C 28.5 0.2 1 177 . 17 GLN HB2 H 2.24 0.01 2 178 . 17 GLN HB3 H 2.07 0.01 2 179 . 17 GLN CG C 34.0 0.2 1 180 . 17 GLN HG2 H 2.44 0.01 1 181 . 17 GLN HG3 H 2.44 0.01 1 182 . 17 GLN NE2 N 110.1 0.1 1 183 . 17 GLN HE21 H 6.77 0.01 2 184 . 17 GLN HE22 H 7.36 0.01 2 185 . 17 GLN C C 177.1 0.2 1 186 . 18 LYS N N 118.4 0.1 1 187 . 18 LYS H H 7.99 0.01 1 188 . 18 LYS CA C 59.9 0.2 1 189 . 18 LYS HA H 4.03 0.01 1 190 . 18 LYS CB C 32.9 0.2 1 191 . 18 LYS HB2 H 1.96 0.01 1 192 . 18 LYS HB3 H 1.96 0.01 1 193 . 18 LYS CG C 25.9 0.2 1 194 . 18 LYS HG2 H 1.45 0.01 2 195 . 18 LYS HG3 H 1.62 0.01 2 196 . 18 LYS CD C 29.7 0.2 1 197 . 18 LYS HD2 H 1.73 0.01 1 198 . 18 LYS HD3 H 1.73 0.01 1 199 . 18 LYS CE C 41.8 0.2 1 200 . 18 LYS HE2 H 3.00 0.01 1 201 . 18 LYS HE3 H 3.00 0.01 1 202 . 18 LYS C C 177.7 0.2 1 203 . 19 PHE N N 120.1 0.1 1 204 . 19 PHE H H 8.02 0.01 1 205 . 19 PHE CA C 61.3 0.2 1 206 . 19 PHE HA H 4.43 0.01 1 207 . 19 PHE CB C 40.0 0.2 1 208 . 19 PHE HB2 H 3.18 0.01 1 209 . 19 PHE HB3 H 3.18 0.01 1 210 . 19 PHE HD1 H 7.28 0.01 1 211 . 19 PHE HD2 H 7.28 0.01 1 212 . 19 PHE HE1 H 7.23 0.01 1 213 . 19 PHE HE2 H 7.23 0.01 1 214 . 19 PHE CD1 C 132.7 0.2 1 215 . 19 PHE CE1 C 132.0 0.2 1 216 . 19 PHE CZ C 132.2 0.2 1 217 . 19 PHE HZ H 7.03 0.01 1 218 . 19 PHE C C 178.4 0.2 1 219 . 20 PHE N N 119.0 0.1 1 220 . 20 PHE H H 9.07 0.01 1 221 . 20 PHE CA C 62.5 0.2 1 222 . 20 PHE HA H 3.68 0.01 1 223 . 20 PHE CB C 39.2 0.2 1 224 . 20 PHE HB2 H 3.24 0.01 2 225 . 20 PHE HB3 H 3.40 0.01 2 226 . 20 PHE HD1 H 7.34 0.01 1 227 . 20 PHE HD2 H 7.34 0.01 1 228 . 20 PHE HE1 H 7.10 0.01 1 229 . 20 PHE HE2 H 7.10 0.01 1 230 . 20 PHE CD1 C 132.7 0.2 1 231 . 20 PHE CE1 C 130.9 0.2 1 232 . 20 PHE CZ C 129.3 0.2 1 233 . 20 PHE HZ H 7.04 0.01 1 234 . 20 PHE C C 176.2 0.2 1 235 . 21 LEU N N 116.9 0.1 1 236 . 21 LEU H H 8.07 0.01 1 237 . 21 LEU CA C 57.7 0.2 1 238 . 21 LEU HA H 3.71 0.01 1 239 . 21 LEU CB C 41.9 0.2 1 240 . 21 LEU HB2 H 1.94 0.01 2 241 . 21 LEU HB3 H 1.49 0.01 2 242 . 21 LEU CG C 27.5 0.2 1 243 . 21 LEU HG H 2.04 0.01 1 244 . 21 LEU HD1 H 1.01 0.01 2 245 . 21 LEU HD2 H 0.97 0.01 2 246 . 21 LEU CD1 C 25.6 0.2 1 247 . 21 LEU CD2 C 23.2 0.2 1 248 . 21 LEU C C 175.9 0.2 1 249 . 22 GLU N N 119.5 0.1 1 250 . 22 GLU H H 8.15 0.01 1 251 . 22 GLU CA C 59.1 0.2 1 252 . 22 GLU HA H 4.36 0.01 1 253 . 22 GLU CB C 28.9 0.2 1 254 . 22 GLU HB2 H 2.28 0.01 2 255 . 22 GLU HB3 H 1.90 0.01 2 256 . 22 GLU CG C 35.4 0.2 1 257 . 22 GLU HG2 H 2.27 0.01 1 258 . 22 GLU HG3 H 2.27 0.01 1 259 . 22 GLU C C 179.8 0.2 1 260 . 23 GLU N N 119.0 0.1 1 261 . 23 GLU H H 8.38 0.01 1 262 . 23 GLU CA C 59.1 0.2 1 263 . 23 GLU HA H 3.71 0.01 1 264 . 23 GLU CB C 29.1 0.2 1 265 . 23 GLU HB2 H 2.40 0.01 2 266 . 23 GLU HB3 H 1.45 0.01 2 267 . 23 GLU CG C 36.2 0.2 1 268 . 23 GLU HG2 H 2.42 0.01 1 269 . 23 GLU HG3 H 2.42 0.01 1 270 . 23 GLU C C 179.4 0.2 1 271 . 24 ILE N N 119.1 0.1 1 272 . 24 ILE H H 8.05 0.01 1 273 . 24 ILE CA C 63.7 0.2 1 274 . 24 ILE HA H 3.63 0.01 1 275 . 24 ILE CB C 36.5 0.2 1 276 . 24 ILE HB H 1.39 0.01 1 277 . 24 ILE HG2 H 0.69 0.01 1 278 . 24 ILE CG2 C 17.8 0.2 1 279 . 24 ILE CG1 C 29.0 0.2 1 280 . 24 ILE HG12 H 1.09 0.01 2 281 . 24 ILE HG13 H 0.91 0.01 2 282 . 24 ILE HD1 H 0.53 0.01 1 283 . 24 ILE CD1 C 12.8 0.2 1 284 . 24 ILE C C 179.3 0.2 1 285 . 25 GLN N N 120.3 0.1 1 286 . 25 GLN H H 7.59 0.01 1 287 . 25 GLN CA C 59.6 0.2 1 288 . 25 GLN HA H 3.86 0.01 1 289 . 25 GLN CB C 28.4 0.2 1 290 . 25 GLN HB2 H 2.04 0.01 1 291 . 25 GLN HB3 H 2.04 0.01 1 292 . 25 GLN CG C 34.3 0.2 1 293 . 25 GLN HG2 H 2.38 0.01 2 294 . 25 GLN HG3 H 2.17 0.01 2 295 . 25 GLN NE2 N 110.6 0.1 1 296 . 25 GLN HE21 H 6.71 0.01 2 297 . 25 GLN HE22 H 7.28 0.01 2 298 . 25 GLN C C 176.9 0.2 1 299 . 26 LEU N N 120.3 0.1 1 300 . 26 LEU H H 8.19 0.01 1 301 . 26 LEU CA C 57.6 0.2 1 302 . 26 LEU HA H 3.98 0.01 1 303 . 26 LEU CB C 42.0 0.2 1 304 . 26 LEU HB2 H 1.27 0.01 2 305 . 26 LEU HB3 H 0.85 0.01 2 306 . 26 LEU CG C 27.1 0.2 1 307 . 26 LEU HG H 1.17 0.01 1 308 . 26 LEU HD1 H 0.62 0.01 2 309 . 26 LEU HD2 H 0.38 0.01 2 310 . 26 LEU CD1 C 24.0 0.2 1 311 . 26 LEU CD2 C 24.0 0.2 1 312 . 26 LEU C C 178.4 0.2 1 313 . 27 GLY N N 105.1 0.1 1 314 . 27 GLY H H 8.50 0.01 1 315 . 27 GLY CA C 48.6 0.2 1 316 . 27 GLY HA3 H 3.56 0.01 2 317 . 27 GLY HA2 H 3.93 0.01 2 318 . 27 GLY C C 179.3 0.2 1 319 . 28 GLU N N 118.8 0.1 1 320 . 28 GLU H H 8.29 0.01 1 321 . 28 GLU CA C 59.5 0.2 1 322 . 28 GLU HA H 3.94 0.01 1 323 . 28 GLU CB C 28.1 0.2 1 324 . 28 GLU HB2 H 2.11 0.01 1 325 . 28 GLU HB3 H 2.11 0.01 1 326 . 28 GLU CG C 35.0 0.2 1 327 . 28 GLU HG2 H 2.32 0.01 1 328 . 28 GLU HG3 H 2.32 0.01 1 329 . 28 GLU C C 174.7 0.2 1 330 . 29 GLU N N 121.2 0.1 1 331 . 29 GLU H H 8.31 0.01 1 332 . 29 GLU CA C 59.2 0.2 1 333 . 29 GLU HA H 4.00 0.01 1 334 . 29 GLU CB C 28.7 0.2 1 335 . 29 GLU HB2 H 2.08 0.01 2 336 . 29 GLU HB3 H 2.24 0.01 2 337 . 29 GLU CG C 35.0 0.2 1 338 . 29 GLU HG2 H 2.49 0.01 1 339 . 29 GLU HG3 H 2.49 0.01 1 340 . 29 GLU C C 178.9 0.2 1 341 . 30 LEU N N 120.3 0.1 1 342 . 30 LEU H H 8.34 0.01 1 343 . 30 LEU CA C 58.2 0.2 1 344 . 30 LEU HA H 4.05 0.01 1 345 . 30 LEU CB C 40.7 0.2 1 346 . 30 LEU HB2 H 1.83 0.01 2 347 . 30 LEU HB3 H 1.60 0.01 2 348 . 30 LEU CG C 25.1 0.2 1 349 . 30 LEU HG H 1.60 0.01 1 350 . 30 LEU HD1 H 0.81 0.01 2 351 . 30 LEU HD2 H 0.92 0.01 2 352 . 30 LEU CD1 C 26.8 0.2 1 353 . 30 LEU CD2 C 22.9 0.2 1 354 . 30 LEU C C 179.3 0.2 1 355 . 31 LEU N N 119.4 0.1 1 356 . 31 LEU H H 8.26 0.01 1 357 . 31 LEU CA C 58.7 0.2 1 358 . 31 LEU HA H 3.78 0.01 1 359 . 31 LEU CB C 41.4 0.2 1 360 . 31 LEU HB2 H 2.05 0.01 2 361 . 31 LEU HB3 H 1.46 0.01 2 362 . 31 LEU CG C 27.3 0.2 1 363 . 31 LEU HG H 2.05 0.01 1 364 . 31 LEU HD1 H 0.97 0.01 2 365 . 31 LEU HD2 H 0.83 0.01 2 366 . 31 LEU CD1 C 24.9 0.2 1 367 . 31 LEU CD2 C 26.9 0.2 1 368 . 31 LEU C C 180.1 0.2 1 369 . 32 ALA N N 122.2 0.1 1 370 . 32 ALA H H 7.95 0.01 1 371 . 32 ALA CA C 55.0 0.2 1 372 . 32 ALA HA H 4.15 0.01 1 373 . 32 ALA HB H 1.56 0.01 1 374 . 32 ALA CB C 17.8 0.2 1 375 . 32 ALA C C 180.6 0.2 1 376 . 33 GLN N N 114.4 0.1 1 377 . 33 GLN H H 7.38 0.01 1 378 . 33 GLN CA C 55.5 0.2 1 379 . 33 GLN HA H 4.32 0.01 1 380 . 33 GLN CB C 29.3 0.2 1 381 . 33 GLN HB2 H 2.11 0.01 2 382 . 33 GLN HB3 H 2.28 0.01 2 383 . 33 GLN CG C 33.8 0.2 1 384 . 33 GLN HG2 H 2.52 0.01 1 385 . 33 GLN HG3 H 2.52 0.01 1 386 . 33 GLN NE2 N 111.1 0.1 1 387 . 33 GLN HE21 H 6.73 0.01 2 388 . 33 GLN HE22 H 7.40 0.01 2 389 . 33 GLN C C 179.2 0.2 1 390 . 34 GLY N N 107.3 0.1 1 391 . 34 GLY H H 7.76 0.01 1 392 . 34 GLY CA C 44.9 0.2 1 393 . 34 GLY HA3 H 3.20 0.01 2 394 . 34 GLY HA2 H 4.07 0.01 2 395 . 34 GLY C C 176.3 0.2 1 396 . 35 ASP N N 122.6 0.1 1 397 . 35 ASP H H 8.00 0.01 1 398 . 35 ASP CA C 51.6 0.2 1 399 . 35 ASP HA H 4.81 0.01 1 400 . 35 ASP CB C 39.2 0.2 1 401 . 35 ASP HB2 H 2.27 0.01 2 402 . 35 ASP HB3 H 2.96 0.01 2 403 . 35 ASP C C 173.2 0.2 1 404 . 36 TYR N N 120.4 0.1 1 405 . 36 TYR H H 7.29 0.01 1 406 . 36 TYR CA C 60.2 0.2 1 407 . 36 TYR HA H 4.20 0.01 1 408 . 36 TYR CB C 37.6 0.2 1 409 . 36 TYR HB2 H 2.97 0.01 2 410 . 36 TYR HB3 H 3.07 0.01 2 411 . 36 TYR HD1 H 7.03 0.01 1 412 . 36 TYR HD2 H 7.03 0.01 1 413 . 36 TYR HE1 H 6.92 0.01 1 414 . 36 TYR HE2 H 6.92 0.01 1 415 . 36 TYR CD1 C 132.2 0.2 1 416 . 36 TYR CE1 C 118.5 0.2 1 417 . 36 TYR C C 176.2 0.2 1 418 . 37 GLU N N 118.7 0.1 1 419 . 37 GLU H H 8.66 0.01 1 420 . 37 GLU CA C 60.3 0.2 1 421 . 37 GLU HA H 3.91 0.01 1 422 . 37 GLU CB C 29.1 0.2 1 423 . 37 GLU HB2 H 2.04 0.01 1 424 . 37 GLU HB3 H 2.04 0.01 1 425 . 37 GLU CG C 36.1 0.2 1 426 . 37 GLU HG2 H 2.27 0.01 1 427 . 37 GLU HG3 H 2.27 0.01 1 428 . 37 GLU C C 177.4 0.2 1 429 . 38 LYS N N 117.0 0.1 1 430 . 38 LYS H H 7.87 0.01 1 431 . 38 LYS CA C 58.9 0.2 1 432 . 38 LYS HA H 4.17 0.01 1 433 . 38 LYS CB C 33.3 0.2 1 434 . 38 LYS HB2 H 1.80 0.01 2 435 . 38 LYS HB3 H 1.69 0.01 2 436 . 38 LYS CG C 25.7 0.2 1 437 . 38 LYS HG2 H 1.44 0.01 2 438 . 38 LYS HG3 H 1.62 0.01 2 439 . 38 LYS CD C 28.7 0.2 1 440 . 38 LYS HD2 H 1.67 0.01 1 441 . 38 LYS HD3 H 1.67 0.01 1 442 . 38 LYS CE C 41.8 0.2 1 443 . 38 LYS HE2 H 3.00 0.01 1 444 . 38 LYS HE3 H 3.00 0.01 1 445 . 38 LYS C C 178.1 0.2 1 446 . 39 GLY N N 107.3 0.1 1 447 . 39 GLY H H 8.47 0.01 1 448 . 39 GLY CA C 49.1 0.2 1 449 . 39 GLY HA3 H 4.02 0.01 2 450 . 39 GLY HA2 H 3.69 0.01 2 451 . 39 GLY C C 180.0 0.2 1 452 . 40 VAL N N 119.5 0.1 1 453 . 40 VAL H H 8.60 0.01 1 454 . 40 VAL CA C 66.9 0.2 1 455 . 40 VAL HA H 3.63 0.01 1 456 . 40 VAL CB C 31.1 0.2 1 457 . 40 VAL HB H 2.27 0.01 1 458 . 40 VAL HG1 H 0.86 0.01 2 459 . 40 VAL HG2 H 1.07 0.01 2 460 . 40 VAL CG1 C 22.4 0.2 1 461 . 40 VAL CG2 C 23.9 0.2 1 462 . 40 VAL C C 175.8 0.2 1 463 . 41 ASP N N 123.8 0.1 1 464 . 41 ASP H H 7.85 0.01 1 465 . 41 ASP CA C 58.4 0.2 1 466 . 41 ASP HA H 4.26 0.01 1 467 . 41 ASP CB C 40.2 0.2 1 468 . 41 ASP HB2 H 2.50 0.01 2 469 . 41 ASP HB3 H 2.74 0.01 2 470 . 41 ASP C C 178.4 0.2 1 471 . 42 HIS N N 115.9 0.1 1 472 . 42 HIS H H 7.42 0.01 1 473 . 42 HIS CA C 59.6 0.2 1 474 . 42 HIS HA H 4.48 0.01 1 475 . 42 HIS CB C 27.7 0.2 1 476 . 42 HIS HB2 H 3.64 0.01 2 477 . 42 HIS HB3 H 2.85 0.01 2 478 . 42 HIS CD2 C 120.6 0.2 1 479 . 42 HIS CE1 C 137.5 0.2 1 480 . 42 HIS HD2 H 7.17 0.01 1 481 . 42 HIS HE1 H 8.65 0.01 1 482 . 42 HIS C C 178.5 0.2 1 483 . 43 LEU N N 118.0 0.1 1 484 . 43 LEU H H 8.17 0.01 1 485 . 43 LEU CA C 58.5 0.2 1 486 . 43 LEU HA H 3.96 0.01 1 487 . 43 LEU CB C 42.0 0.2 1 488 . 43 LEU HB2 H 2.07 0.01 2 489 . 43 LEU HB3 H 1.99 0.01 2 490 . 43 LEU CG C 26.3 0.2 1 491 . 43 LEU HG H 1.25 0.01 1 492 . 43 LEU HD1 H 0.87 0.01 2 493 . 43 LEU HD2 H 0.84 0.01 2 494 . 43 LEU CD1 C 23.1 0.2 1 495 . 43 LEU CD2 C 26.4 0.2 1 496 . 43 LEU C C 178.0 0.2 1 497 . 44 THR N N 114.2 0.1 1 498 . 44 THR H H 8.36 0.01 1 499 . 44 THR CA C 68.0 0.2 1 500 . 44 THR HA H 3.64 0.01 1 501 . 44 THR CB C 67.8 0.2 1 502 . 44 THR HB H 4.23 0.01 1 503 . 44 THR HG2 H 1.04 0.01 1 504 . 44 THR CG2 C 21.7 0.2 1 505 . 44 THR C C 178.7 0.2 1 506 . 45 ASN N N 120.4 0.1 1 507 . 45 ASN H H 7.29 0.01 1 508 . 45 ASN CA C 55.8 0.2 1 509 . 45 ASN HA H 4.38 0.01 1 510 . 45 ASN CB C 37.7 0.2 1 511 . 45 ASN HB2 H 2.66 0.01 2 512 . 45 ASN HB3 H 3.52 0.01 2 513 . 45 ASN ND2 N 110.6 0.1 1 514 . 45 ASN HD21 H 6.76 0.01 2 515 . 45 ASN HD22 H 7.83 0.01 2 516 . 45 ASN C C 175.8 0.2 1 517 . 46 ALA N N 119.3 0.1 1 518 . 46 ALA H H 7.51 0.01 1 519 . 46 ALA CA C 55.2 0.2 1 520 . 46 ALA HA H 4.06 0.01 1 521 . 46 ALA HB H 1.31 0.01 1 522 . 46 ALA CB C 18.2 0.2 1 523 . 46 ALA C C 175.6 0.2 1 524 . 47 ILE N N 117.1 0.1 1 525 . 47 ILE H H 8.28 0.01 1 526 . 47 ILE CA C 65.1 0.2 1 527 . 47 ILE HA H 3.65 0.01 1 528 . 47 ILE CB C 38.5 0.2 1 529 . 47 ILE HB H 1.96 0.01 1 530 . 47 ILE HG2 H 0.88 0.01 1 531 . 47 ILE CG2 C 18.1 0.2 1 532 . 47 ILE CG1 C 30.2 0.2 1 533 . 47 ILE HG12 H 1.88 0.01 2 534 . 47 ILE HG13 H 1.00 0.01 2 535 . 47 ILE HD1 H 0.80 0.01 1 536 . 47 ILE CD1 C 15.3 0.2 1 537 . 47 ILE C C 179.5 0.2 1 538 . 48 ALA N N 118.8 0.1 1 539 . 48 ALA H H 8.13 0.01 1 540 . 48 ALA CA C 55.1 0.2 1 541 . 48 ALA HA H 4.02 0.01 1 542 . 48 ALA HB H 1.61 0.01 1 543 . 48 ALA CB C 19.2 0.2 1 544 . 48 ALA C C 177.6 0.2 1 545 . 49 VAL N N 104.2 0.1 1 546 . 49 VAL H H 7.16 0.01 1 547 . 49 VAL CA C 60.5 0.2 1 548 . 49 VAL HA H 4.59 0.01 1 549 . 49 VAL CB C 32.1 0.2 1 550 . 49 VAL HB H 2.61 0.01 1 551 . 49 VAL HG1 H 1.06 0.01 2 552 . 49 VAL HG2 H 1.35 0.01 2 553 . 49 VAL CG1 C 21.5 0.2 1 554 . 49 VAL CG2 C 19.4 0.2 1 555 . 49 VAL C C 178.3 0.2 1 556 . 50 CYS N N 120.7 0.1 1 557 . 50 CYS H H 7.46 0.01 1 558 . 50 CYS CA C 59.0 0.2 1 559 . 50 CYS HA H 3.98 0.01 1 560 . 50 CYS CB C 28.5 0.2 1 561 . 50 CYS HB2 H 3.10 0.01 2 562 . 50 CYS HB3 H 2.83 0.01 2 563 . 50 CYS C C 175.1 0.2 1 564 . 51 GLY N N 113.6 0.1 1 565 . 51 GLY H H 8.73 0.01 1 566 . 51 GLY CA C 46.4 0.2 1 567 . 51 GLY HA3 H 3.96 0.01 1 568 . 51 GLY HA2 H 3.96 0.01 1 569 . 51 GLY C C 174.8 0.2 1 570 . 52 GLN N N 118.5 0.1 1 571 . 52 GLN H H 7.69 0.01 1 572 . 52 GLN CA C 53.4 0.2 1 573 . 52 GLN HA H 4.89 0.01 1 574 . 52 GLN CB C 29.5 0.2 1 575 . 52 GLN HB2 H 1.89 0.01 2 576 . 52 GLN HB3 H 2.23 0.01 2 577 . 52 GLN CG C 33.4 0.2 1 578 . 52 GLN HG2 H 2.29 0.01 1 579 . 52 GLN HG3 H 2.29 0.01 1 580 . 52 GLN NE2 N 110.9 0.1 1 581 . 52 GLN HE21 H 6.72 0.01 2 582 . 52 GLN HE22 H 7.37 0.01 2 583 . 52 GLN C C 174.0 0.2 1 584 . 53 PRO CD C 50.3 0.2 1 585 . 53 PRO CA C 65.9 0.2 1 586 . 53 PRO HA H 4.10 0.01 1 587 . 53 PRO CB C 32.1 0.2 1 588 . 53 PRO HB2 H 1.79 0.01 2 589 . 53 PRO HB3 H 2.38 0.01 2 590 . 53 PRO CG C 27.5 0.2 1 591 . 53 PRO HG2 H 2.01 0.01 2 592 . 53 PRO HG3 H 2.20 0.01 2 593 . 53 PRO HD2 H 3.58 0.01 2 594 . 53 PRO HD3 H 3.72 0.01 2 595 . 54 GLN N N 117.7 0.1 1 596 . 54 GLN H H 8.81 0.01 1 597 . 54 GLN CA C 60.5 0.2 1 598 . 54 GLN HA H 3.87 0.01 1 599 . 54 GLN CB C 27.8 0.2 1 600 . 54 GLN HB2 H 2.09 0.01 1 601 . 54 GLN HB3 H 2.09 0.01 1 602 . 54 GLN CG C 34.5 0.2 1 603 . 54 GLN HG2 H 2.39 0.01 2 604 . 54 GLN HG3 H 2.18 0.01 2 605 . 54 GLN NE2 N 111.5 0.1 1 606 . 54 GLN HE21 H 6.95 0.01 2 607 . 54 GLN HE22 H 7.55 0.01 2 608 . 54 GLN C C 178.2 0.2 1 609 . 55 GLN N N 118.5 0.1 1 610 . 55 GLN H H 7.80 0.01 1 611 . 55 GLN CA C 59.2 0.2 1 612 . 55 GLN HA H 4.14 0.01 1 613 . 55 GLN CB C 28.4 0.2 1 614 . 55 GLN HB2 H 2.18 0.01 2 615 . 55 GLN HB3 H 2.23 0.01 2 616 . 55 GLN CG C 33.6 0.2 1 617 . 55 GLN HG2 H 2.44 0.01 1 618 . 55 GLN HG3 H 2.44 0.01 1 619 . 55 GLN NE2 N 111.2 0.1 1 620 . 55 GLN HE21 H 6.81 0.01 2 621 . 55 GLN HE22 H 7.45 0.01 2 622 . 55 GLN C C 178.0 0.2 1 623 . 56 LEU N N 119.5 0.1 1 624 . 56 LEU H H 7.79 0.01 1 625 . 56 LEU CA C 57.7 0.2 1 626 . 56 LEU HA H 4.18 0.01 1 627 . 56 LEU CB C 41.5 0.2 1 628 . 56 LEU HB2 H 1.99 0.01 2 629 . 56 LEU HB3 H 1.65 0.01 2 630 . 56 LEU CG C 27.9 0.2 1 631 . 56 LEU HG H 1.57 0.01 1 632 . 56 LEU HD1 H 1.03 0.01 2 633 . 56 LEU HD2 H 1.13 0.01 2 634 . 56 LEU CD1 C 22.8 0.2 1 635 . 56 LEU CD2 C 28.0 0.2 1 636 . 56 LEU C C 178.8 0.2 1 637 . 57 LEU N N 119.3 0.1 1 638 . 57 LEU H H 8.63 0.01 1 639 . 57 LEU CA C 59.0 0.2 1 640 . 57 LEU HA H 3.99 0.01 1 641 . 57 LEU CB C 42.1 0.2 1 642 . 57 LEU HB2 H 1.64 0.01 2 643 . 57 LEU HB3 H 2.07 0.01 2 644 . 57 LEU CG C 26.5 0.2 1 645 . 57 LEU HG H 1.99 0.01 1 646 . 57 LEU HD1 H 0.88 0.01 2 647 . 57 LEU HD2 H 0.93 0.01 2 648 . 57 LEU CD1 C 25.8 0.2 1 649 . 57 LEU CD2 C 24.7 0.2 1 650 . 57 LEU C C 178.5 0.2 1 651 . 58 GLN N N 117.8 0.1 1 652 . 58 GLN H H 7.82 0.01 1 653 . 58 GLN CA C 59.6 0.2 1 654 . 58 GLN HA H 4.01 0.01 1 655 . 58 GLN CB C 28.6 0.2 1 656 . 58 GLN HB2 H 2.23 0.01 1 657 . 58 GLN HB3 H 2.23 0.01 1 658 . 58 GLN CG C 34.3 0.2 1 659 . 58 GLN HG2 H 2.52 0.01 1 660 . 58 GLN HG3 H 2.52 0.01 1 661 . 58 GLN NE2 N 110.9 0.1 1 662 . 58 GLN HE21 H 6.76 0.01 2 663 . 58 GLN HE22 H 7.37 0.01 2 664 . 58 GLN C C 178.2 0.2 1 665 . 59 VAL N N 118.9 0.1 1 666 . 59 VAL H H 7.62 0.01 1 667 . 59 VAL CA C 66.0 0.2 1 668 . 59 VAL HA H 3.77 0.01 1 669 . 59 VAL CB C 32.0 0.2 1 670 . 59 VAL HB H 2.28 0.01 1 671 . 59 VAL HG1 H 0.96 0.01 2 672 . 59 VAL HG2 H 1.11 0.01 2 673 . 59 VAL CG1 C 21.4 0.2 1 674 . 59 VAL CG2 C 23.2 0.2 1 675 . 59 VAL C C 178.5 0.2 1 676 . 60 LEU N N 121.6 0.1 1 677 . 60 LEU H H 8.59 0.01 1 678 . 60 LEU CA C 57.6 0.2 1 679 . 60 LEU HA H 4.12 0.01 1 680 . 60 LEU CB C 40.5 0.2 1 681 . 60 LEU HB2 H 1.99 0.01 2 682 . 60 LEU HB3 H 1.39 0.01 2 683 . 60 LEU CG C 26.7 0.2 1 684 . 60 LEU HG H 2.10 0.01 1 685 . 60 LEU HD1 H 0.90 0.01 2 686 . 60 LEU HD2 H 0.86 0.01 2 687 . 60 LEU CD1 C 26.5 0.2 1 688 . 60 LEU CD2 C 23.7 0.2 1 689 . 60 LEU C C 179.6 0.2 1 690 . 61 GLN N N 120.9 0.1 1 691 . 61 GLN H H 8.41 0.01 1 692 . 61 GLN CA C 58.9 0.2 1 693 . 61 GLN HA H 2.65 0.01 1 694 . 61 GLN CB C 27.2 0.2 1 695 . 61 GLN HB2 H 1.94 0.01 2 696 . 61 GLN HB3 H 1.34 0.01 2 697 . 61 GLN CG C 33.3 0.2 1 698 . 61 GLN HG2 H 1.75 0.01 2 699 . 61 GLN HG3 H 1.46 0.01 2 700 . 61 GLN NE2 N 109.9 0.1 1 701 . 61 GLN HE21 H 6.56 0.01 2 702 . 61 GLN HE22 H 7.21 0.01 2 703 . 61 GLN C C 178.1 0.2 1 704 . 62 GLN N N 113.0 0.1 1 705 . 62 GLN H H 7.21 0.01 1 706 . 62 GLN CA C 57.0 0.2 1 707 . 62 GLN HA H 4.07 0.01 1 708 . 62 GLN CB C 29.6 0.2 1 709 . 62 GLN HB2 H 2.17 0.01 1 710 . 62 GLN HB3 H 2.17 0.01 1 711 . 62 GLN CG C 33.9 0.2 1 712 . 62 GLN HG2 H 2.44 0.01 1 713 . 62 GLN HG3 H 2.44 0.01 1 714 . 62 GLN NE2 N 111.4 0.1 1 715 . 62 GLN HE21 H 6.73 0.01 2 716 . 62 GLN HE22 H 7.40 0.01 2 717 . 62 GLN C C 177.8 0.2 1 718 . 63 THR N N 107.1 0.1 1 719 . 63 THR H H 7.46 0.01 1 720 . 63 THR CA C 62.4 0.2 1 721 . 63 THR HA H 4.42 0.01 1 722 . 63 THR CB C 71.2 0.2 1 723 . 63 THR HB H 4.14 0.01 1 724 . 63 THR HG2 H 1.15 0.01 1 725 . 63 THR CG2 C 22.1 0.2 1 726 . 63 THR C C 177.0 0.2 1 727 . 64 LEU N N 122.2 0.1 1 728 . 64 LEU H H 8.02 0.01 1 729 . 64 LEU CA C 52.6 0.2 1 730 . 64 LEU HA H 4.77 0.01 1 731 . 64 LEU CB C 42.3 0.2 1 732 . 64 LEU HB2 H 1.89 0.01 2 733 . 64 LEU HB3 H 1.17 0.01 2 734 . 64 LEU CG C 27.6 0.2 1 735 . 64 LEU HG H 2.04 0.01 1 736 . 64 LEU HD1 H 0.88 0.01 2 737 . 64 LEU HD2 H 0.93 0.01 2 738 . 64 LEU CD1 C 23.1 0.2 1 739 . 64 LEU CD2 C 26.8 0.2 1 740 . 64 LEU C C 174.9 0.2 1 741 . 65 PRO CD C 50.3 0.2 1 742 . 65 PRO CA C 61.2 0.2 1 743 . 65 PRO HA H 4.79 0.01 1 744 . 65 PRO CB C 32.1 0.2 1 745 . 65 PRO HB2 H 2.62 0.01 2 746 . 65 PRO HB3 H 1.67 0.01 2 747 . 65 PRO CG C 28.4 0.2 1 748 . 65 PRO HG2 H 2.14 0.01 2 749 . 65 PRO HG3 H 2.18 0.01 2 750 . 65 PRO HD2 H 4.09 0.01 2 751 . 65 PRO HD3 H 3.24 0.01 2 752 . 66 PRO CD C 50.4 0.2 1 753 . 66 PRO CA C 67.2 0.2 1 754 . 66 PRO HA H 4.52 0.01 1 755 . 66 PRO CB C 29.3 0.2 1 756 . 66 PRO HB2 H 2.47 0.01 1 757 . 66 PRO HB3 H 2.47 0.01 1 758 . 66 PRO CG C 29.3 0.2 1 759 . 66 PRO HG2 H 2.18 0.01 1 760 . 66 PRO HG3 H 2.18 0.01 1 761 . 66 PRO HD2 H 4.11 0.01 2 762 . 66 PRO HD3 H 3.77 0.01 2 763 . 67 PRO CD C 50.2 0.2 1 764 . 67 PRO CA C 66.0 0.2 1 765 . 67 PRO HA H 4.39 0.01 1 766 . 67 PRO CB C 31.3 0.2 1 767 . 67 PRO HB2 H 2.38 0.01 2 768 . 67 PRO HB3 H 1.72 0.01 2 769 . 67 PRO CG C 28.4 0.2 1 770 . 67 PRO HG2 H 2.02 0.01 2 771 . 67 PRO HG3 H 2.10 0.01 2 772 . 67 PRO HD2 H 3.38 0.01 2 773 . 67 PRO HD3 H 3.76 0.01 2 774 . 68 VAL N N 117.2 0.1 1 775 . 68 VAL H H 7.23 0.01 1 776 . 68 VAL CA C 65.1 0.2 1 777 . 68 VAL HA H 3.64 0.01 1 778 . 68 VAL CB C 31.6 0.2 1 779 . 68 VAL HB H 2.06 0.01 1 780 . 68 VAL HG1 H 0.89 0.01 2 781 . 68 VAL HG2 H 0.58 0.01 2 782 . 68 VAL CG1 C 22.8 0.2 1 783 . 68 VAL CG2 C 22.4 0.2 1 784 . 68 VAL C C 179.7 0.2 1 785 . 69 PHE N N 121.7 0.1 1 786 . 69 PHE H H 8.06 0.01 1 787 . 69 PHE CA C 62.4 0.2 1 788 . 69 PHE HA H 3.97 0.01 1 789 . 69 PHE CB C 39.5 0.2 1 790 . 69 PHE HB2 H 3.07 0.01 2 791 . 69 PHE HB3 H 3.13 0.01 2 792 . 69 PHE HD1 H 7.08 0.01 1 793 . 69 PHE HD2 H 7.08 0.01 1 794 . 69 PHE HE1 H 7.28 0.01 1 795 . 69 PHE HE2 H 7.28 0.01 1 796 . 69 PHE CD1 C 131.3 0.2 1 797 . 69 PHE CE1 C 132.0 0.2 1 798 . 69 PHE CZ C 131.4 0.2 1 799 . 69 PHE HZ H 7.26 0.01 1 800 . 69 PHE C C 177.3 0.2 1 801 . 70 GLN N N 115.6 0.1 1 802 . 70 GLN H H 8.31 0.01 1 803 . 70 GLN CA C 59.0 0.2 1 804 . 70 GLN HA H 3.72 0.01 1 805 . 70 GLN CB C 27.9 0.2 1 806 . 70 GLN HB2 H 2.08 0.01 1 807 . 70 GLN HB3 H 2.08 0.01 1 808 . 70 GLN CG C 33.7 0.2 1 809 . 70 GLN HG2 H 2.42 0.01 1 810 . 70 GLN HG3 H 2.42 0.01 1 811 . 70 GLN NE2 N 111.9 0.1 1 812 . 70 GLN HE21 H 6.79 0.01 2 813 . 70 GLN HE22 H 7.51 0.01 2 814 . 70 GLN C C 176.9 0.2 1 815 . 71 MET N N 118.9 0.1 1 816 . 71 MET H H 7.34 0.01 1 817 . 71 MET CA C 59.2 0.2 1 818 . 71 MET HA H 3.98 0.01 1 819 . 71 MET CB C 33.4 0.2 1 820 . 71 MET HB2 H 2.13 0.01 2 821 . 71 MET HB3 H 2.33 0.01 2 822 . 71 MET CG C 31.9 0.2 1 823 . 71 MET HG2 H 2.45 0.01 2 824 . 71 MET HG3 H 2.79 0.01 2 825 . 71 MET HE H 2.01 0.01 1 826 . 71 MET CE C 16.8 0.2 1 827 . 71 MET C C 178.4 0.2 1 828 . 72 LEU N N 121.6 0.1 1 829 . 72 LEU H H 7.90 0.01 1 830 . 72 LEU CA C 58.3 0.2 1 831 . 72 LEU HA H 3.76 0.01 1 832 . 72 LEU CB C 41.7 0.2 1 833 . 72 LEU HB2 H 2.02 0.01 2 834 . 72 LEU HB3 H 1.29 0.01 2 835 . 72 LEU CG C 27.0 0.2 1 836 . 72 LEU HG H 1.33 0.01 1 837 . 72 LEU HD1 H 0.80 0.01 2 838 . 72 LEU HD2 H 0.70 0.01 2 839 . 72 LEU CD1 C 25.7 0.2 1 840 . 72 LEU CD2 C 26.5 0.2 1 841 . 72 LEU C C 178.8 0.2 1 842 . 73 LEU N N 117.0 0.1 1 843 . 73 LEU H H 7.87 0.01 1 844 . 73 LEU CA C 57.9 0.2 1 845 . 73 LEU HA H 3.68 0.01 1 846 . 73 LEU CB C 41.3 0.2 1 847 . 73 LEU HB2 H 1.76 0.01 2 848 . 73 LEU HB3 H 1.24 0.01 2 849 . 73 LEU CG C 25.9 0.2 1 850 . 73 LEU HG H 1.19 0.01 1 851 . 73 LEU HD1 H 0.72 0.01 2 852 . 73 LEU HD2 H 0.52 0.01 2 853 . 73 LEU CD1 C 25.8 0.2 1 854 . 73 LEU CD2 C 22.8 0.2 1 855 . 73 LEU C C 178.8 0.2 1 856 . 74 THR N N 109.5 0.1 1 857 . 74 THR H H 7.55 0.01 1 858 . 74 THR CA C 65.0 0.2 1 859 . 74 THR HA H 3.99 0.01 1 860 . 74 THR CB C 69.5 0.2 1 861 . 74 THR HB H 4.24 0.01 1 862 . 74 THR HG2 H 1.29 0.01 1 863 . 74 THR CG2 C 21.9 0.2 1 864 . 74 THR C C 179.6 0.2 1 865 . 75 LYS N N 119.1 0.1 1 866 . 75 LYS H H 7.52 0.01 1 867 . 75 LYS CA C 56.0 0.2 1 868 . 75 LYS HA H 4.33 0.01 1 869 . 75 LYS CB C 32.8 0.2 1 870 . 75 LYS HB2 H 1.90 0.01 1 871 . 75 LYS HB3 H 1.90 0.01 1 872 . 75 LYS CG C 24.9 0.2 1 873 . 75 LYS HG2 H 1.48 0.01 2 874 . 75 LYS HG3 H 1.44 0.01 2 875 . 75 LYS CD C 28.4 0.2 1 876 . 75 LYS HD2 H 1.55 0.01 2 877 . 75 LYS HD3 H 1.62 0.01 2 878 . 75 LYS CE C 41.8 0.2 1 879 . 75 LYS HE2 H 2.81 0.01 2 880 . 75 LYS HE3 H 2.88 0.01 2 881 . 75 LYS C C 176.6 0.2 1 882 . 76 LEU N N 123.7 0.1 1 883 . 76 LEU H H 8.07 0.01 1 884 . 76 LEU CA C 53.2 0.2 1 885 . 76 LEU HA H 4.11 0.01 1 886 . 76 LEU CB C 41.5 0.2 1 887 . 76 LEU HB2 H 1.46 0.01 2 888 . 76 LEU HB3 H 1.29 0.01 2 889 . 76 LEU CG C 26.4 0.2 1 890 . 76 LEU HG H 1.62 0.01 1 891 . 76 LEU HD1 H 0.84 0.01 2 892 . 76 LEU HD2 H 0.79 0.01 2 893 . 76 LEU CD1 C 25.6 0.2 1 894 . 76 LEU CD2 C 21.7 0.2 1 895 . 76 LEU C C 175.8 0.2 1 896 . 77 PRO CD C 49.4 0.2 1 897 . 77 PRO CA C 62.2 0.2 1 898 . 77 PRO HA H 4.32 0.01 1 899 . 77 PRO CB C 32.0 0.2 1 900 . 77 PRO HB2 H 1.67 0.01 2 901 . 77 PRO HB3 H 2.04 0.01 2 902 . 77 PRO CG C 27.0 0.2 1 903 . 77 PRO HG2 H 1.65 0.01 2 904 . 77 PRO HG3 H 1.60 0.01 2 905 . 77 PRO HD2 H 2.98 0.01 2 906 . 77 PRO HD3 H 2.84 0.01 2 907 . 78 THR N N 107.8 0.1 1 908 . 78 THR H H 7.70 0.01 1 909 . 78 THR CA C 63.4 0.2 1 910 . 78 THR HA H 4.31 0.01 1 911 . 78 THR CB C 69.7 0.2 1 912 . 78 THR HB H 4.39 0.01 1 913 . 78 THR HG2 H 1.28 0.01 1 914 . 78 THR CG2 C 21.8 0.2 1 915 . 78 THR C C 177.7 0.2 1 916 . 79 ILE N N 121.7 0.1 1 917 . 79 ILE H H 7.81 0.01 1 918 . 79 ILE CA C 63.9 0.2 1 919 . 79 ILE HA H 3.85 0.01 1 920 . 79 ILE CB C 38.2 0.2 1 921 . 79 ILE HB H 1.97 0.01 1 922 . 79 ILE HG2 H 0.94 0.01 1 923 . 79 ILE CG2 C 17.8 0.2 1 924 . 79 ILE CG1 C 29.1 0.2 1 925 . 79 ILE HG12 H 1.64 0.01 2 926 . 79 ILE HG13 H 1.16 0.01 2 927 . 79 ILE HD1 H 0.91 0.01 1 928 . 79 ILE CD1 C 14.0 0.2 1 929 . 79 ILE C C 176.2 0.2 1 930 . 80 SER N N 115.4 0.1 1 931 . 80 SER H H 8.05 0.01 1 932 . 80 SER CA C 60.8 0.2 1 933 . 80 SER HA H 4.18 0.01 1 934 . 80 SER CB C 64.3 0.2 1 935 . 80 SER HB2 H 3.89 0.01 1 936 . 80 SER HB3 H 3.89 0.01 1 937 . 80 SER C C 176.9 0.2 1 938 . 81 GLN N N 119.8 0.1 1 939 . 81 GLN H H 7.89 0.01 1 940 . 81 GLN CA C 57.3 0.2 1 941 . 81 GLN HA H 4.20 0.01 1 942 . 81 GLN CB C 29.0 0.2 1 943 . 81 GLN HB2 H 2.11 0.01 2 944 . 81 GLN HB3 H 2.18 0.01 2 945 . 81 GLN CG C 34.0 0.2 1 946 . 81 GLN HG2 H 2.38 0.01 1 947 . 81 GLN HG3 H 2.38 0.01 1 948 . 81 GLN NE2 N 112.0 0.1 1 949 . 81 GLN HE21 H 6.82 0.01 2 950 . 81 GLN HE22 H 7.46 0.01 2 951 . 81 GLN C C 175.5 0.2 1 952 . 82 ARG N N 119.8 0.1 1 953 . 82 ARG H H 7.97 0.01 1 954 . 82 ARG CA C 57.6 0.2 1 955 . 82 ARG HA H 4.10 0.01 1 956 . 82 ARG CB C 30.6 0.2 1 957 . 82 ARG HB2 H 1.86 0.01 1 958 . 82 ARG HB3 H 1.86 0.01 1 959 . 82 ARG CG C 27.6 0.2 1 960 . 82 ARG HG2 H 1.72 0.01 1 961 . 82 ARG HG3 H 1.72 0.01 1 962 . 82 ARG CD C 43.4 0.2 1 963 . 82 ARG HD2 H 3.19 0.01 1 964 . 82 ARG HD3 H 3.19 0.01 1 965 . 82 ARG C C 177.1 0.2 1 966 . 83 ILE N N 119.5 0.1 1 967 . 83 ILE H H 7.87 0.01 1 968 . 83 ILE CA C 62.5 0.2 1 969 . 83 ILE HA H 3.99 0.01 1 970 . 83 ILE CB C 38.4 0.2 1 971 . 83 ILE HB H 1.92 0.01 1 972 . 83 ILE HG2 H 0.86 0.01 1 973 . 83 ILE CG2 C 17.4 0.2 1 974 . 83 ILE CG1 C 28.2 0.2 1 975 . 83 ILE HG12 H 1.57 0.01 2 976 . 83 ILE HG13 H 1.16 0.01 2 977 . 83 ILE HD1 H 0.82 0.01 1 978 . 83 ILE CD1 C 13.2 0.2 1 979 . 83 ILE C C 177.1 0.2 1 980 . 84 VAL N N 121.1 0.1 1 981 . 84 VAL H H 7.95 0.01 1 982 . 84 VAL CA C 63.5 0.2 1 983 . 84 VAL HA H 4.00 0.01 1 984 . 84 VAL CB C 32.5 0.2 1 985 . 84 VAL HB H 2.10 0.01 1 986 . 84 VAL HG1 H 0.95 0.01 2 987 . 84 VAL HG2 H 0.99 0.01 2 988 . 84 VAL CG1 C 21.3 0.2 1 989 . 84 VAL CG2 C 21.4 0.2 1 990 . 84 VAL C C 176.7 0.2 1 991 . 85 SER N N 117.6 0.1 1 992 . 85 SER H H 8.16 0.01 1 993 . 85 SER CA C 59.1 0.2 1 994 . 85 SER HA H 4.38 0.01 1 995 . 85 SER CB C 63.9 0.2 1 996 . 85 SER HB2 H 3.91 0.01 1 997 . 85 SER HB3 H 3.91 0.01 1 998 . 85 SER C C 177.1 0.2 1 999 . 86 ALA N N 125.0 0.1 1 1000 . 86 ALA H H 8.12 0.01 1 1001 . 86 ALA CA C 53.3 0.2 1 1002 . 86 ALA HA H 4.24 0.01 1 1003 . 86 ALA HB H 1.41 0.01 1 1004 . 86 ALA CB C 19.1 0.2 1 1005 . 86 ALA C C 174.8 0.2 1 1006 . 87 GLN N N 117.8 0.1 1 1007 . 87 GLN H H 8.12 0.01 1 1008 . 87 GLN CA C 56.5 0.2 1 1009 . 87 GLN HA H 4.26 0.01 1 1010 . 87 GLN CB C 29.5 0.2 1 1011 . 87 GLN HB2 H 2.12 0.01 2 1012 . 87 GLN HB3 H 2.18 0.01 2 1013 . 87 GLN CG C 34.0 0.2 1 1014 . 87 GLN HG2 H 2.40 0.01 1 1015 . 87 GLN HG3 H 2.40 0.01 1 1016 . 87 GLN NE2 N 111.8 0.1 1 1017 . 87 GLN HE21 H 6.81 0.01 2 1018 . 87 GLN HE22 H 7.47 0.01 2 1019 . 87 GLN C C 178.0 0.2 1 1020 . 88 SER N N 116.0 0.1 1 1021 . 88 SER H H 8.10 0.01 1 1022 . 88 SER CA C 58.6 0.2 1 1023 . 88 SER HA H 4.43 0.01 1 1024 . 88 SER CB C 63.8 0.2 1 1025 . 88 SER HB2 H 3.87 0.01 1 1026 . 88 SER HB3 H 3.87 0.01 1 1027 . 88 SER C C 176.2 0.2 1 1028 . 89 LEU N N 123.6 0.1 1 1029 . 89 LEU H H 8.17 0.01 1 1030 . 89 LEU CA C 55.4 0.2 1 1031 . 89 LEU HA H 4.34 0.01 1 1032 . 89 LEU CB C 42.4 0.2 1 1033 . 89 LEU HB2 H 1.69 0.01 2 1034 . 89 LEU HB3 H 1.61 0.01 2 1035 . 89 LEU CG C 27.0 0.2 1 1036 . 89 LEU HG H 1.64 0.01 1 1037 . 89 LEU HD1 H 0.86 0.01 2 1038 . 89 LEU HD2 H 0.91 0.01 2 1039 . 89 LEU CD1 C 23.4 0.2 1 1040 . 89 LEU CD2 C 25.1 0.2 1 1041 . 89 LEU C C 174.5 0.2 1 1042 . 90 GLY N N 109.2 0.1 1 1043 . 90 GLY H H 8.34 0.01 1 1044 . 90 GLY CA C 45.4 0.2 1 1045 . 90 GLY HA3 H 3.94 0.01 1 1046 . 90 GLY HA2 H 3.94 0.01 1 1047 . 90 GLY C C 177.8 0.2 1 1048 . 91 GLU N N 120.0 0.1 1 1049 . 91 GLU H H 8.19 0.01 1 1050 . 91 GLU CA C 56.5 0.2 1 1051 . 91 GLU HA H 4.30 0.01 1 1052 . 91 GLU CB C 30.1 0.2 1 1053 . 91 GLU HB2 H 1.91 0.01 2 1054 . 91 GLU HB3 H 2.07 0.01 2 1055 . 91 GLU CG C 35.4 0.2 1 1056 . 91 GLU HG2 H 2.29 0.01 1 1057 . 91 GLU HG3 H 2.29 0.01 1 1058 . 91 GLU C C 174.3 0.2 1 1059 . 92 ASP N N 120.3 0.1 1 1060 . 92 ASP H H 8.38 0.01 1 1061 . 92 ASP CA C 54.2 0.2 1 1062 . 92 ASP HA H 4.61 0.01 1 1063 . 92 ASP CB C 40.9 0.2 1 1064 . 92 ASP HB2 H 2.59 0.01 2 1065 . 92 ASP HB3 H 2.70 0.01 2 1066 . 92 ASP C C 176.2 0.2 1 1067 . 93 ASP N N 120.2 0.1 1 1068 . 93 ASP H H 8.23 0.01 1 1069 . 93 ASP CA C 54.1 0.2 1 1070 . 93 ASP HA H 4.64 0.01 1 1071 . 93 ASP CB C 40.8 0.2 1 1072 . 93 ASP HB2 H 2.62 0.01 2 1073 . 93 ASP HB3 H 2.73 0.01 2 1074 . 93 ASP C C 175.8 0.2 1 1075 . 94 VAL N N 119.9 0.1 1 1076 . 94 VAL H H 7.96 0.01 1 1077 . 94 VAL CA C 62.2 0.2 1 1078 . 94 VAL HA H 4.12 0.01 1 1079 . 94 VAL CB C 32.9 0.2 1 1080 . 94 VAL HB H 2.08 0.01 1 1081 . 94 VAL HG1 H 0.91 0.01 1 1082 . 94 VAL HG2 H 0.91 0.01 1 1083 . 94 VAL CG1 C 20.3 0.2 1 1084 . 94 VAL CG2 C 20.3 0.2 1 1085 . 94 VAL C C 175.8 0.2 1 1086 . 95 GLU N N 128.7 0.1 1 1087 . 95 GLU H H 7.96 0.01 1 1088 . 95 GLU CA C 57.4 0.2 1 1089 . 95 GLU HA H 4.14 0.01 1 1090 . 95 GLU CB C 30.7 0.2 1 1091 . 95 GLU HB2 H 1.87 0.01 2 1092 . 95 GLU HB3 H 2.04 0.01 2 1093 . 95 GLU CG C 35.3 0.2 1 1094 . 95 GLU HG2 H 2.27 0.01 1 1095 . 95 GLU HG3 H 2.27 0.01 1 1096 . 95 GLU C C 175.3 0.2 1 stop_ save_