data_4321 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C, and 15N Chemical Shift Assignments for the Catalytic Domain of Tetrahymena GCN5 Histone Acetyltransferase in Complex with CoA ; _BMRB_accession_number 4321 _BMRB_flat_file_name bmr4321.str _Entry_type original _Submission_date 1999-03-16 _Accession_date 1999-03-17 _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 Lin Yingxi . . 2 Wagner Gerhard . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 1025 "13C chemical shifts" 668 "15N chemical shifts" 175 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2000-12-14 original author . stop_ _Original_release_date 2000-12-14 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full ; Lin, Y., and Wagner, G., "Efficient Side-chain and Backbone Assignment in Large Proteins: Application to tGCN5," J. Biomol. NMR 15, 227-239 (1999). ; _Citation_title ; Efficient Side-chain and Backbone Assignment in Large Proteins: Application to tGCN5 ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code 20142316 _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Lin Yingxi . . 2 Wagner Gerhard . . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_name_full 'Journal of Biomolecular NMR' _Journal_volume 15 _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 227 _Page_last 239 _Year 1999 _Details . save_ ################################## # Molecular system description # ################################## save_system_p55-coA _Saveframe_category molecular_system _Mol_system_name 'p55 monomer in complex with CoA' _Abbreviation_common p55 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label p55 $p55_monomer CoA $COA stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state complex _System_paramagnetic no _System_thiol_state 'all free' loop_ _Biological_function 'histone acetyltransferase' 'transcription activator' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_p55_monomer _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'Tetrahymena histone acetyltransferase' _Abbreviation_common tGCN5 _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 166 _Mol_residue_sequence ; MKGLLDFDILTNDGTHRNMK LLIDLKNIFSRQLPKMPKEY IVKLVFDRHHESMVILKNKQ KVIGGICFRQYKPQRFAEVA FLAVTANEQVRGYGTRLMNK FKDHMQKQNIEYLLTYADNF AIGYFKKQGFTKEHRMPQEK WKGYIKDYDGGTLMECYIHP YVDYGN ; loop_ _Residue_seq_code _Residue_label 1 MET 2 LYS 3 GLY 4 LEU 5 LEU 6 ASP 7 PHE 8 ASP 9 ILE 10 LEU 11 THR 12 ASN 13 ASP 14 GLY 15 THR 16 HIS 17 ARG 18 ASN 19 MET 20 LYS 21 LEU 22 LEU 23 ILE 24 ASP 25 LEU 26 LYS 27 ASN 28 ILE 29 PHE 30 SER 31 ARG 32 GLN 33 LEU 34 PRO 35 LYS 36 MET 37 PRO 38 LYS 39 GLU 40 TYR 41 ILE 42 VAL 43 LYS 44 LEU 45 VAL 46 PHE 47 ASP 48 ARG 49 HIS 50 HIS 51 GLU 52 SER 53 MET 54 VAL 55 ILE 56 LEU 57 LYS 58 ASN 59 LYS 60 GLN 61 LYS 62 VAL 63 ILE 64 GLY 65 GLY 66 ILE 67 CYS 68 PHE 69 ARG 70 GLN 71 TYR 72 LYS 73 PRO 74 GLN 75 ARG 76 PHE 77 ALA 78 GLU 79 VAL 80 ALA 81 PHE 82 LEU 83 ALA 84 VAL 85 THR 86 ALA 87 ASN 88 GLU 89 GLN 90 VAL 91 ARG 92 GLY 93 TYR 94 GLY 95 THR 96 ARG 97 LEU 98 MET 99 ASN 100 LYS 101 PHE 102 LYS 103 ASP 104 HIS 105 MET 106 GLN 107 LYS 108 GLN 109 ASN 110 ILE 111 GLU 112 TYR 113 LEU 114 LEU 115 THR 116 TYR 117 ALA 118 ASP 119 ASN 120 PHE 121 ALA 122 ILE 123 GLY 124 TYR 125 PHE 126 LYS 127 LYS 128 GLN 129 GLY 130 PHE 131 THR 132 LYS 133 GLU 134 HIS 135 ARG 136 MET 137 PRO 138 GLN 139 GLU 140 LYS 141 TRP 142 LYS 143 GLY 144 TYR 145 ILE 146 LYS 147 ASP 148 TYR 149 ASP 150 GLY 151 GLY 152 THR 153 LEU 154 MET 155 GLU 156 CYS 157 TYR 158 ILE 159 HIS 160 PRO 161 TYR 162 VAL 163 ASP 164 TYR 165 GLY 166 ASN stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-06-22 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 1M1D "Tetrahymena Gcn5 With Bound Bisubstrate Analog Inhibitor" 97.59 163 100.00 100.00 3.96e-116 PDB 1PU9 "Crystal Structure Of Tetrahymena Gcn5 With Bound Coenzyme A And A 19-Residue Histone H3 Peptide" 97.59 163 100.00 100.00 3.96e-116 PDB 1PUA "Crystal Structure Of Tetrahymena Gcn5 With Bound Coenzyme A And A Phosphorylated, 19-Residue Histone H3 Peptide" 97.59 163 100.00 100.00 3.96e-116 PDB 1Q2C "Crystal Structure Of Tetrahymena Gcn5 With Bound Coenzyme A And A 19- Residue Histone H4 Peptide" 96.99 162 100.00 100.00 1.30e-115 PDB 1Q2D "Crystal Structure Of Tetrahymena Gcn5 With Bound Coenzyme A And A 19-Residue P53 Peptide" 96.99 162 100.00 100.00 1.30e-115 PDB 1QSN "Crystal Structure Of Tetrahymena Gcn5 With Bound Coenzyme A And Histone H3 Peptide" 96.99 162 100.00 100.00 1.30e-115 PDB 1QSR "Crystal Structure Of Tetrahymena Gcn5 With Bound Acetyl- Coenzyme A" 96.99 162 100.00 100.00 1.30e-115 PDB 1QST "Crystal Structure Of Tetrahymena Gcn5" 96.39 160 100.00 100.00 1.14e-114 PDB 5GCN "Catalytic Domain Of Tetrahymena Gcn5 Histone Acetyltransferase In Complex With Coenzyme A" 100.00 166 100.00 100.00 1.91e-119 GB AAB01099 "HAT A1 [Tetrahymena thermophila]" 99.40 418 98.79 99.39 5.32e-116 GB EAS03638 "histone acetyltransferase GCN5 [Tetrahymena thermophila SB210]" 99.40 418 99.39 100.00 1.02e-116 REF XP_001023869 "histone acetyltransferase GCN5 [Tetrahymena thermophila SB210]" 99.40 418 99.39 100.00 1.02e-116 stop_ save_ ############# # Ligands # ############# save_COA _Saveframe_category ligand _Mol_type "non-polymer (NON-POLYMER)" _Name_common 'COENZYME A' _BMRB_code COA _PDB_code COA _Molecular_mass 767.534 _Mol_charge 0 _Mol_paramagnetic . _Mol_aromatic yes _Details . loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons N1A N1A N . 0 . ? C2A C2A C . 0 . ? N3A N3A N . 0 . ? C4A C4A C . 0 . ? C5A C5A C . 0 . ? C6A C6A C . 0 . ? N6A N6A N . 0 . ? N7A N7A N . 0 . ? C8A C8A C . 0 . ? N9A N9A N . 0 . ? C1B C1B C . 0 . ? C2B C2B C . 0 . ? O2B O2B O . 0 . ? C3B C3B C . 0 . ? O3B O3B O . 0 . ? P3B P3B P . 0 . ? O7A O7A O . 0 . ? O8A O8A O . 0 . ? O9A O9A O . 0 . ? C4B C4B C . 0 . ? O4B O4B O . 0 . ? C5B C5B C . 0 . ? O5B O5B O . 0 . ? P1A P1A P . 0 . ? O1A O1A O . 0 . ? O2A O2A O . 0 . ? O3A O3A O . 0 . ? P2A P2A P . 0 . ? O4A O4A O . 0 . ? O5A O5A O . 0 . ? O6A O6A O . 0 . ? CBP CBP C . 0 . ? CCP CCP C . 0 . ? CDP CDP C . 0 . ? CEP CEP C . 0 . ? CAP CAP C . 0 . ? OAP OAP O . 0 . ? C9P C9P C . 0 . ? O9P O9P O . 0 . ? N8P N8P N . 0 . ? C7P C7P C . 0 . ? C6P C6P C . 0 . ? C5P C5P C . 0 . ? O5P O5P O . 0 . ? N4P N4P N . 0 . ? C3P C3P C . 0 . ? C2P C2P C . 0 . ? S1P S1P S . 0 . ? H2A H2A H . 0 . ? H61A H61A H . 0 . ? H62A H62A H . 0 . ? H8A H8A H . 0 . ? H1B H1B H . 0 . ? H2B H2B H . 0 . ? HO2A HO2A H . 0 . ? H3B H3B H . 0 . ? HOA8 HOA8 H . 0 . ? HOA9 HOA9 H . 0 . ? H4B H4B H . 0 . ? H51A H51A H . 0 . ? H52A H52A H . 0 . ? HOA2 HOA2 H . 0 . ? HOA5 HOA5 H . 0 . ? H121 H121 H . 0 . ? H122 H122 H . 0 . ? H131 H131 H . 0 . ? H132 H132 H . 0 . ? H133 H133 H . 0 . ? H141 H141 H . 0 . ? H142 H142 H . 0 . ? H143 H143 H . 0 . ? H10 H10 H . 0 . ? HO1 HO1 H . 0 . ? HN8 HN8 H . 0 . ? H71 H71 H . 0 . ? H72 H72 H . 0 . ? H61 H61 H . 0 . ? H62 H62 H . 0 . ? HN4 HN4 H . 0 . ? H31 H31 H . 0 . ? H32 H32 H . 0 . ? H21 H21 H . 0 . ? H22 H22 H . 0 . ? HS1 HS1 H . 0 . ? stop_ loop_ _Bond_order _Bond_atom_one_atom_name _Bond_atom_two_atom_name _PDB_bond_atom_one_atom_name _PDB_bond_atom_two_atom_name SING N1A C2A ? ? DOUB N1A C6A ? ? DOUB C2A N3A ? ? SING C2A H2A ? ? SING N3A C4A ? ? DOUB C4A C5A ? ? SING C4A N9A ? ? SING C5A C6A ? ? SING C5A N7A ? ? SING C6A N6A ? ? SING N6A H61A ? ? SING N6A H62A ? ? DOUB N7A C8A ? ? SING C8A N9A ? ? SING C8A H8A ? ? SING N9A C1B ? ? SING C1B C2B ? ? SING C1B O4B ? ? SING C1B H1B ? ? SING C2B O2B ? ? SING C2B C3B ? ? SING C2B H2B ? ? SING O2B HO2A ? ? SING C3B O3B ? ? SING C3B C4B ? ? SING C3B H3B ? ? SING O3B P3B ? ? DOUB P3B O7A ? ? SING P3B O8A ? ? SING P3B O9A ? ? SING O8A HOA8 ? ? SING O9A HOA9 ? ? SING C4B O4B ? ? SING C4B C5B ? ? SING C4B H4B ? ? SING C5B O5B ? ? SING C5B H51A ? ? SING C5B H52A ? ? SING O5B P1A ? ? DOUB P1A O1A ? ? SING P1A O2A ? ? SING P1A O3A ? ? SING O2A HOA2 ? ? SING O3A P2A ? ? DOUB P2A O4A ? ? SING P2A O5A ? ? SING P2A O6A ? ? SING O5A HOA5 ? ? SING O6A CCP ? ? SING CBP CCP ? ? SING CBP CDP ? ? SING CBP CEP ? ? SING CBP CAP ? ? SING CCP H121 ? ? SING CCP H122 ? ? SING CDP H131 ? ? SING CDP H132 ? ? SING CDP H133 ? ? SING CEP H141 ? ? SING CEP H142 ? ? SING CEP H143 ? ? SING CAP OAP ? ? SING CAP C9P ? ? SING CAP H10 ? ? SING OAP HO1 ? ? DOUB C9P O9P ? ? SING C9P N8P ? ? SING N8P C7P ? ? SING N8P HN8 ? ? SING C7P C6P ? ? SING C7P H71 ? ? SING C7P H72 ? ? SING C6P C5P ? ? SING C6P H61 ? ? SING C6P H62 ? ? DOUB C5P O5P ? ? SING C5P N4P ? ? SING N4P C3P ? ? SING N4P HN4 ? ? SING C3P C2P ? ? SING C3P H31 ? ? SING C3P H32 ? ? SING C2P S1P ? ? SING C2P H21 ? ? SING C2P H22 ? ? SING S1P HS1 ? ? stop_ _Mol_thiol_state . _Sequence_homology_query_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $p55_monomer 'T. Thermophila' 5911 Eukaryota . Tetrahymena thermophila 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 $p55_monomer 'recombinant technology' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_one _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $p55_monomer 0.4 mM . $COA 0.8 mM . 'sodium phosphate' 50 mM . NaCl 100 mM . DTT 0.1 mM . NaN3 0.1 mM . EDTA 0.1 mM . stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_list _Saveframe_category NMR_spectrometer _Manufacturer unknown _Model unknown _Field_strength 0 _Details 'spectrometer information not available' save_ ############################# # NMR applied experiments # ############################# save__1 _Saveframe_category NMR_applied_experiment _Sample_label $sample_one save_ ####################### # Sample conditions # ####################### save_sample_conditions _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.5 0.1 na temperature 300 1 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 _Indirect_shift_ratio_citation_label _Correction_value_citation_label DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 $entry_citation $entry_citation DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 $entry_citation $entry_citation DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 $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_assigned_chemical_shifts _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_one stop_ _Sample_conditions_label $sample_conditions _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name p55 _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 . 2 LYS CA C 56.84 0.011 1 2 . 2 LYS HA H 4.44 0.005 1 3 . 2 LYS CB C 32.92 0.000 1 4 . 2 LYS HB2 H 1.92 0.005 1 5 . 2 LYS HB3 H 1.92 0.005 1 6 . 2 LYS CG C 24.60 0.000 1 7 . 2 LYS HG2 H 1.48 0.000 1 8 . 2 LYS HG3 H 1.48 0.000 1 9 . 2 LYS CD C 29.07 0.000 1 10 . 2 LYS HD2 H 1.71 0.000 1 11 . 2 LYS HD3 H 1.71 0.000 1 12 . 2 LYS CE C 41.96 0.000 1 13 . 2 LYS HE2 H 3.02 0.000 1 14 . 2 LYS HE3 H 3.02 0.000 1 15 . 2 LYS C C 174.36 0.000 1 16 . 3 GLY N N 111.85 0.181 1 17 . 3 GLY H H 8.64 0.007 1 18 . 3 GLY CA C 45.36 0.137 1 19 . 3 GLY HA2 H 4.01 0.009 1 20 . 3 GLY HA3 H 4.01 0.009 1 21 . 3 GLY C C 177.44 0.020 1 22 . 4 LEU N N 122.84 0.274 1 23 . 4 LEU H H 8.17 0.008 1 24 . 4 LEU CA C 55.55 0.041 1 25 . 4 LEU HA H 4.44 0.008 1 26 . 4 LEU CB C 42.89 0.167 1 27 . 4 LEU HB2 H 1.67 0.014 1 28 . 4 LEU HB3 H 1.67 0.014 1 29 . 4 LEU CG C 27.29 0.029 1 30 . 4 LEU HG H 1.64 0.007 1 31 . 4 LEU HD1 H 0.97 0.005 1 32 . 4 LEU HD2 H 0.93 0.005 1 33 . 4 LEU CD1 C 24.99 0.180 1 34 . 4 LEU CD2 C 23.91 0.134 1 35 . 4 LEU C C 174.58 0.033 1 36 . 5 LEU N N 122.77 0.207 1 37 . 5 LEU H H 8.02 0.015 1 38 . 5 LEU CA C 53.88 0.034 1 39 . 5 LEU HA H 4.83 0.009 1 40 . 5 LEU CB C 44.43 0.092 1 41 . 5 LEU HB2 H 1.49 0.012 1 42 . 5 LEU HB3 H 0.99 0.009 1 43 . 5 LEU CG C 27.12 0.000 1 44 . 5 LEU HG H 1.39 0.015 1 45 . 5 LEU HD1 H 0.56 0.010 1 46 . 5 LEU HD2 H 0.44 0.012 1 47 . 5 LEU CD1 C 25.05 0.109 1 48 . 5 LEU CD2 C 23.22 0.078 1 49 . 5 LEU C C 175.50 0.018 1 50 . 6 ASP N N 122.29 0.183 1 51 . 6 ASP H H 8.27 0.013 1 52 . 6 ASP CA C 53.23 0.060 1 53 . 6 ASP HA H 4.92 0.009 1 54 . 6 ASP CB C 45.33 0.131 1 55 . 6 ASP HB2 H 2.61 0.010 1 56 . 6 ASP HB3 H 2.35 0.011 1 57 . 6 ASP C C 177.63 0.004 1 58 . 7 PHE N N 119.15 0.246 1 59 . 7 PHE H H 8.65 0.009 1 60 . 7 PHE CA C 56.32 0.000 1 61 . 7 PHE HA H 5.69 0.011 1 62 . 7 PHE CB C 41.93 0.000 1 63 . 7 PHE HB2 H 2.90 0.000 2 64 . 7 PHE HB3 H 2.86 0.000 2 65 . 7 PHE HD1 H 7.20 0.004 1 66 . 7 PHE HD2 H 7.20 0.004 1 67 . 7 PHE HE1 H 7.12 0.003 1 68 . 7 PHE HE2 H 7.12 0.003 1 69 . 7 PHE HZ H 6.96 0.006 1 70 . 7 PHE C C 175.80 0.015 1 71 . 8 ASP N N 121.31 0.198 1 72 . 8 ASP H H 8.24 0.010 1 73 . 8 ASP CA C 52.85 0.005 1 74 . 8 ASP HA H 5.03 0.006 1 75 . 8 ASP CB C 45.18 0.047 1 76 . 8 ASP HB2 H 2.37 0.022 2 77 . 8 ASP HB3 H 2.31 0.015 2 78 . 8 ASP C C 176.40 0.009 1 79 . 9 ILE N N 122.57 0.228 1 80 . 9 ILE H H 8.80 0.008 1 81 . 9 ILE CA C 60.83 0.000 1 82 . 9 ILE HA H 4.94 0.011 1 83 . 9 ILE CB C 39.12 0.014 1 84 . 9 ILE HB H 1.80 0.011 1 85 . 9 ILE HG2 H 0.94 0.010 1 86 . 9 ILE CG2 C 18.43 0.069 1 87 . 9 ILE CG1 C 28.55 0.172 1 88 . 9 ILE HG12 H 1.54 0.014 2 89 . 9 ILE HG13 H 0.85 0.012 2 90 . 9 ILE HD1 H 0.45 0.013 1 91 . 9 ILE CD1 C 12.49 0.149 1 92 . 9 ILE C C 176.10 0.008 1 93 . 10 LEU N N 127.68 0.156 1 94 . 10 LEU H H 9.49 0.009 1 95 . 10 LEU CA C 53.49 0.046 1 96 . 10 LEU HA H 4.71 0.008 1 97 . 10 LEU CB C 45.15 0.123 1 98 . 10 LEU HB2 H 1.72 0.013 1 99 . 10 LEU HB3 H 1.27 0.012 1 100 . 10 LEU CG C 27.49 0.000 1 101 . 10 LEU HG H 1.62 0.009 1 102 . 10 LEU HD1 H 0.77 0.008 1 103 . 10 LEU HD2 H 0.77 0.006 1 104 . 10 LEU CD1 C 28.18 0.151 1 105 . 10 LEU CD2 C 23.21 0.105 1 106 . 10 LEU C C 175.57 0.009 1 107 . 11 THR N N 111.66 0.200 1 108 . 11 THR H H 7.13 0.013 1 109 . 11 THR CA C 60.26 0.000 1 110 . 11 THR HA H 4.56 0.011 1 111 . 11 THR CB C 71.05 0.050 1 112 . 11 THR HB H 4.16 0.007 1 113 . 11 THR HG2 H 1.11 0.009 1 114 . 11 THR CG2 C 20.44 0.095 1 115 . 11 THR C C 178.16 0.008 1 116 . 12 ASN N N 122.54 0.174 1 117 . 12 ASN H H 9.15 0.007 1 118 . 12 ASN CA C 52.65 0.150 1 119 . 12 ASN HA H 4.79 0.006 1 120 . 12 ASN CB C 36.92 0.000 1 121 . 12 ASN HB2 H 2.97 0.011 2 122 . 12 ASN HB3 H 2.42 0.011 2 123 . 12 ASN ND2 N 111.68 0.002 1 124 . 12 ASN HD21 H 8.11 0.006 1 125 . 12 ASN HD22 H 7.11 0.006 1 126 . 12 ASN C C 176.82 0.002 1 127 . 13 ASP N N 126.96 0.154 1 128 . 13 ASP H H 8.31 0.006 1 129 . 13 ASP CA C 52.66 0.039 1 130 . 13 ASP HA H 4.62 0.008 1 131 . 13 ASP CB C 41.14 0.005 1 132 . 13 ASP HB2 H 3.12 0.014 2 133 . 13 ASP HB3 H 2.50 0.011 2 134 . 13 ASP C C 173.47 0.012 1 135 . 14 GLY N N 109.33 0.204 1 136 . 14 GLY H H 8.51 0.006 1 137 . 14 GLY CA C 45.56 0.112 1 138 . 14 GLY HA2 H 4.34 0.004 2 139 . 14 GLY HA3 H 3.85 0.004 2 140 . 14 GLY C C 175.85 0.010 1 141 . 15 THR N N 114.17 0.149 1 142 . 15 THR H H 8.33 0.009 1 143 . 15 THR CA C 61.99 0.000 1 144 . 15 THR HA H 4.46 0.010 1 145 . 15 THR HB H 4.46 0.016 1 146 . 15 THR HG2 H 1.31 0.011 1 147 . 15 THR CG2 C 21.96 0.000 1 148 . 15 THR C C 174.83 0.002 1 149 . 16 HIS N N 123.74 0.278 1 150 . 16 HIS H H 9.03 0.012 1 151 . 16 HIS CA C 59.77 0.000 1 152 . 16 HIS HA H 4.33 0.010 1 153 . 16 HIS CB C 29.86 0.070 1 154 . 16 HIS HB2 H 3.28 0.015 2 155 . 16 HIS HB3 H 3.21 0.010 2 156 . 16 HIS C C 173.70 0.019 1 157 . 17 ARG N N 120.12 0.249 1 158 . 17 ARG H H 8.71 0.033 1 159 . 17 ARG CA C 59.53 0.000 1 160 . 17 ARG HA H 4.01 0.010 1 161 . 17 ARG CB C 29.89 0.000 1 162 . 17 ARG HB2 H 2.02 0.011 1 163 . 17 ARG HB3 H 2.02 0.011 1 164 . 17 ARG CG C 27.13 0.000 1 165 . 17 ARG HG2 H 1.72 0.011 1 166 . 17 ARG HG3 H 1.72 0.011 1 167 . 17 ARG CD C 43.49 0.000 1 168 . 17 ARG HD2 H 3.19 0.003 1 169 . 17 ARG HD3 H 3.19 0.003 1 170 . 17 ARG C C 173.46 0.023 1 171 . 18 ASN N N 116.69 0.181 1 172 . 18 ASN H H 7.26 0.014 1 173 . 18 ASN CA C 56.08 0.048 1 174 . 18 ASN HA H 4.45 0.008 1 175 . 18 ASN CB C 37.25 0.043 1 176 . 18 ASN HB2 H 3.10 0.010 2 177 . 18 ASN HB3 H 2.80 0.013 2 178 . 18 ASN ND2 N 111.17 0.007 1 179 . 18 ASN HD21 H 7.67 0.004 1 180 . 18 ASN HD22 H 7.05 0.007 1 181 . 18 ASN C C 173.75 0.032 1 182 . 19 MET N N 118.91 0.193 1 183 . 19 MET H H 8.01 0.005 1 184 . 19 MET CA C 58.72 0.133 1 185 . 19 MET HA H 4.30 0.010 1 186 . 19 MET CB C 31.75 0.029 1 187 . 19 MET HB2 H 2.19 0.015 1 188 . 19 MET HB3 H 2.19 0.015 1 189 . 19 MET CG C 32.10 0.000 1 190 . 19 MET HG2 H 2.66 0.011 1 191 . 19 MET HG3 H 2.66 0.011 1 192 . 19 MET HE H 1.99 0.009 1 193 . 19 MET CE C 16.79 0.000 1 194 . 19 MET C C 173.60 0.027 1 195 . 20 LYS N N 118.64 0.192 1 196 . 20 LYS H H 7.98 0.009 1 197 . 20 LYS CA C 60.14 0.000 1 198 . 20 LYS HA H 3.91 0.011 1 199 . 20 LYS CB C 32.41 0.125 1 200 . 20 LYS HB2 H 1.88 0.015 1 201 . 20 LYS HB3 H 1.88 0.015 1 202 . 20 LYS CG C 25.04 0.143 1 203 . 20 LYS HG2 H 1.52 0.011 1 204 . 20 LYS HG3 H 1.52 0.011 1 205 . 20 LYS CD C 29.13 0.049 1 206 . 20 LYS HD2 H 1.66 0.008 1 207 . 20 LYS HD3 H 1.66 0.008 1 208 . 20 LYS HE2 H 3.01 0.003 1 209 . 20 LYS HE3 H 3.01 0.003 1 210 . 20 LYS C C 171.59 0.009 1 211 . 21 LEU N N 118.60 0.129 1 212 . 21 LEU H H 7.74 0.007 1 213 . 21 LEU CA C 57.74 0.000 1 214 . 21 LEU HA H 4.18 0.010 1 215 . 21 LEU CB C 42.58 0.098 1 216 . 21 LEU HB2 H 1.88 0.010 2 217 . 21 LEU HB3 H 1.18 0.010 2 218 . 21 LEU CG C 27.31 0.000 1 219 . 21 LEU HG H 1.99 0.010 1 220 . 21 LEU HD1 H 0.83 0.004 1 221 . 21 LEU HD2 H 0.83 0.004 1 222 . 21 LEU CD1 C 26.18 0.064 1 223 . 21 LEU CD2 C 22.67 0.094 1 224 . 21 LEU C C 171.70 0.017 1 225 . 22 LEU N N 120.19 0.102 1 226 . 22 LEU H H 8.38 0.008 1 227 . 22 LEU CA C 57.92 0.000 1 228 . 22 LEU HA H 3.84 0.012 1 229 . 22 LEU CB C 42.03 0.083 1 230 . 22 LEU HB2 H 1.99 0.008 2 231 . 22 LEU HB3 H 0.77 0.008 2 232 . 22 LEU CG C 26.94 0.000 1 233 . 22 LEU HG H 1.69 0.007 1 234 . 22 LEU HD2 H 0.56 0.010 1 235 . 22 LEU HD1 H 0.47 0.011 1 236 . 22 LEU CD1 C 23.23 0.054 1 237 . 22 LEU CD2 C 25.04 0.163 1 238 . 22 LEU C C 171.32 0.004 1 239 . 23 ILE N N 122.58 0.182 1 240 . 23 ILE H H 8.36 0.007 1 241 . 23 ILE CA C 66.42 0.077 1 242 . 23 ILE HA H 3.73 0.008 1 243 . 23 ILE CB C 37.45 0.000 1 244 . 23 ILE HB H 2.18 0.012 1 245 . 23 ILE HG2 H 0.94 0.009 1 246 . 23 ILE CG2 C 17.88 0.069 1 247 . 23 ILE CG1 C 30.22 0.102 1 248 . 23 ILE HG12 H 2.09 0.012 2 249 . 23 ILE HG13 H 1.18 0.007 2 250 . 23 ILE HD1 H 0.85 0.009 1 251 . 23 ILE CD1 C 13.60 0.175 1 252 . 23 ILE C C 173.07 0.001 1 253 . 24 ASP N N 120.97 0.150 1 254 . 24 ASP H H 7.63 0.014 1 255 . 24 ASP CA C 57.73 0.005 1 256 . 24 ASP HA H 4.44 0.005 1 257 . 24 ASP CB C 39.80 0.095 1 258 . 24 ASP HB2 H 2.97 0.012 2 259 . 24 ASP HB3 H 2.60 0.016 2 260 . 24 ASP C C 170.92 0.014 1 261 . 25 LEU N N 122.26 0.133 1 262 . 25 LEU H H 8.34 0.008 1 263 . 25 LEU CA C 57.74 0.000 1 264 . 25 LEU HA H 3.63 0.010 1 265 . 25 LEU CB C 41.30 0.083 1 266 . 25 LEU HB2 H 1.79 0.010 2 267 . 25 LEU HB3 H 1.10 0.009 2 268 . 25 LEU CG C 25.82 0.027 1 269 . 25 LEU HG H 0.53 0.011 1 270 . 25 LEU HD2 H 0.71 0.010 1 271 . 25 LEU HD1 H 0.12 0.009 1 272 . 25 LEU CD1 C 26.35 0.063 1 273 . 25 LEU CD2 C 21.75 0.062 1 274 . 25 LEU C C 173.70 0.040 1 275 . 26 LYS N N 121.47 0.157 1 276 . 26 LYS H H 9.01 0.006 1 277 . 26 LYS CA C 59.95 0.000 1 278 . 26 LYS HA H 3.71 0.009 1 279 . 26 LYS CB C 29.29 0.134 1 280 . 26 LYS HB2 H 2.33 0.013 2 281 . 26 LYS HB3 H 1.94 0.009 2 282 . 26 LYS CG C 23.93 0.159 1 283 . 26 LYS HG2 H 1.76 0.002 2 284 . 26 LYS HG3 H 1.58 0.005 2 285 . 26 LYS HD2 H 1.62 0.010 1 286 . 26 LYS HD3 H 1.62 0.010 1 287 . 26 LYS CE C 41.51 0.000 1 288 . 26 LYS HE2 H 3.07 0.010 2 289 . 26 LYS HE3 H 2.90 0.007 2 290 . 26 LYS C C 172.31 0.011 1 291 . 27 ASN N N 120.82 0.124 1 292 . 27 ASN H H 8.29 0.006 1 293 . 27 ASN CA C 56.13 0.000 1 294 . 27 ASN HA H 4.56 0.007 1 295 . 27 ASN CB C 37.36 0.132 1 296 . 27 ASN HB2 H 3.02 0.015 2 297 . 27 ASN HB3 H 2.82 0.015 2 298 . 27 ASN ND2 N 114.92 0.037 1 299 . 27 ASN HD21 H 7.98 0.008 1 300 . 27 ASN HD22 H 7.15 0.005 1 301 . 27 ASN C C 173.18 0.017 1 302 . 28 ILE N N 123.80 0.188 1 303 . 28 ILE H H 7.50 0.007 1 304 . 28 ILE CA C 65.41 0.000 1 305 . 28 ILE HA H 3.93 0.017 1 306 . 28 ILE CB C 38.14 0.081 1 307 . 28 ILE HB H 1.70 0.007 1 308 . 28 ILE HG2 H 0.62 0.008 1 309 . 28 ILE CG2 C 16.22 0.081 1 310 . 28 ILE CG1 C 28.75 0.094 1 311 . 28 ILE HG12 H 1.83 0.011 2 312 . 28 ILE HG13 H 0.92 0.008 2 313 . 28 ILE HD1 H 0.54 0.007 1 314 . 28 ILE CD1 C 14.76 0.000 1 315 . 28 ILE C C 172.55 0.008 1 316 . 29 PHE N N 118.77 0.136 1 317 . 29 PHE H H 8.46 0.009 1 318 . 29 PHE CA C 58.22 0.000 1 319 . 29 PHE HA H 4.24 0.010 1 320 . 29 PHE CB C 37.90 0.106 1 321 . 29 PHE HB2 H 3.04 0.009 2 322 . 29 PHE HB3 H 2.69 0.009 2 323 . 29 PHE HD1 H 6.78 0.007 1 324 . 29 PHE HD2 H 6.78 0.007 1 325 . 29 PHE HE1 H 7.24 0.005 1 326 . 29 PHE HE2 H 7.24 0.005 1 327 . 29 PHE HZ H 6.95 0.003 1 328 . 29 PHE C C 174.14 0.000 1 329 . 30 SER N N 112.28 0.145 1 330 . 30 SER H H 8.55 0.006 1 331 . 30 SER CA C 61.43 0.036 1 332 . 30 SER HA H 4.10 0.009 1 333 . 30 SER CB C 63.47 0.036 1 334 . 30 SER HB2 H 4.01 0.012 2 335 . 30 SER HB3 H 3.87 0.010 2 336 . 30 SER C C 175.15 0.003 1 337 . 31 ARG N N 118.87 0.168 1 338 . 31 ARG H H 7.45 0.010 1 339 . 31 ARG CA C 58.36 0.000 1 340 . 31 ARG HA H 4.15 0.011 1 341 . 31 ARG CB C 31.31 0.152 1 342 . 31 ARG HB2 H 2.04 0.011 2 343 . 31 ARG HB3 H 1.93 0.010 2 344 . 31 ARG CG C 28.20 0.094 1 345 . 31 ARG HG2 H 1.83 0.007 2 346 . 31 ARG HG3 H 1.69 0.007 2 347 . 31 ARG CD C 43.35 0.018 1 348 . 31 ARG HD2 H 3.30 0.007 2 349 . 31 ARG HD3 H 3.24 0.007 2 350 . 31 ARG C C 172.77 0.004 1 351 . 32 GLN N N 114.36 0.150 1 352 . 32 GLN H H 8.24 0.006 1 353 . 32 GLN CA C 55.58 0.064 1 354 . 32 GLN HA H 4.38 0.012 1 355 . 32 GLN CB C 29.85 0.119 1 356 . 32 GLN HB2 H 2.46 0.020 2 357 . 32 GLN HB3 H 1.89 0.006 2 358 . 32 GLN CG C 34.48 0.034 1 359 . 32 GLN HG2 H 2.75 0.016 2 360 . 32 GLN HG3 H 2.42 0.009 2 361 . 32 GLN NE2 N 115.61 0.002 1 362 . 32 GLN HE21 H 7.67 0.003 1 363 . 32 GLN HE22 H 7.21 0.006 1 364 . 32 GLN C C 175.67 0.011 1 365 . 33 LEU N N 120.67 0.174 1 366 . 33 LEU H H 7.68 0.006 1 367 . 33 LEU CA C 52.39 0.000 1 368 . 33 LEU HA H 5.05 0.009 1 369 . 33 LEU CB C 40.40 0.000 1 370 . 33 LEU HB2 H 2.04 0.007 2 371 . 33 LEU HB3 H 1.32 0.008 2 372 . 33 LEU CG C 26.75 0.000 1 373 . 33 LEU HG H 1.57 0.012 1 374 . 33 LEU HD2 H 1.12 0.005 2 375 . 33 LEU HD1 H 0.73 0.007 2 376 . 33 LEU CD1 C 24.54 0.000 1 377 . 33 LEU CD2 C 26.57 0.000 1 378 . 33 LEU C C 176.00 0.000 1 379 . 34 PRO CD C 50.73 0.007 1 380 . 34 PRO CA C 64.68 0.000 1 381 . 34 PRO HA H 4.45 0.007 1 382 . 34 PRO CB C 32.21 0.158 1 383 . 34 PRO HB2 H 2.32 0.007 2 384 . 34 PRO HB3 H 2.02 0.008 2 385 . 34 PRO CG C 27.46 0.090 1 386 . 34 PRO HG2 H 2.02 0.003 2 387 . 34 PRO HG3 H 1.83 0.004 2 388 . 34 PRO HD2 H 3.62 0.013 2 389 . 34 PRO HD3 H 3.31 0.009 2 390 . 34 PRO C C 172.69 0.000 1 391 . 35 LYS N N 118.07 0.134 1 392 . 35 LYS H H 8.57 0.005 1 393 . 35 LYS CA C 56.65 0.037 1 394 . 35 LYS HA H 4.31 0.007 1 395 . 35 LYS CB C 32.07 0.099 1 396 . 35 LYS HB2 H 2.04 0.008 2 397 . 35 LYS HB3 H 1.82 0.010 2 398 . 35 LYS CG C 25.62 0.093 1 399 . 35 LYS HG2 H 1.52 0.006 2 400 . 35 LYS HG3 H 1.44 0.006 2 401 . 35 LYS CD C 28.89 0.155 1 402 . 35 LYS HD2 H 1.76 0.006 1 403 . 35 LYS HD3 H 1.76 0.006 1 404 . 35 LYS CE C 42.06 0.000 1 405 . 35 LYS HE2 H 3.04 0.009 1 406 . 35 LYS HE3 H 3.04 0.009 1 407 . 35 LYS C C 173.62 0.000 1 408 . 36 MET N N 121.98 0.137 1 409 . 36 MET H H 7.71 0.008 1 410 . 36 MET CA C 52.39 0.000 1 411 . 36 MET HA H 4.91 0.009 1 412 . 36 MET CB C 33.21 0.000 1 413 . 36 MET HB2 H 2.23 0.011 2 414 . 36 MET HB3 H 1.93 0.009 2 415 . 36 MET HG2 H 2.60 0.016 1 416 . 36 MET HG3 H 2.60 0.016 1 417 . 36 MET HE H 2.26 0.001 1 418 . 36 MET CE C 18.27 0.000 1 419 . 36 MET C C 177.38 0.000 1 420 . 37 PRO CD C 51.28 0.000 1 421 . 37 PRO CA C 63.15 0.000 1 422 . 37 PRO HA H 4.51 0.007 1 423 . 37 PRO CB C 32.08 0.070 1 424 . 37 PRO HB2 H 2.55 0.009 2 425 . 37 PRO HB3 H 1.96 0.009 2 426 . 37 PRO CG C 28.19 0.119 1 427 . 37 PRO HG2 H 2.18 0.008 2 428 . 37 PRO HG3 H 2.10 0.007 2 429 . 37 PRO HD2 H 4.15 0.009 2 430 . 37 PRO HD3 H 3.58 0.006 2 431 . 37 PRO C C 172.24 0.000 1 432 . 38 LYS N N 128.01 0.206 1 433 . 38 LYS H H 8.92 0.006 1 434 . 38 LYS CA C 60.17 0.042 1 435 . 38 LYS HA H 3.86 0.008 1 436 . 38 LYS CB C 32.02 0.133 1 437 . 38 LYS HB2 H 1.91 0.009 1 438 . 38 LYS HB3 H 1.91 0.009 1 439 . 38 LYS CG C 25.21 0.143 1 440 . 38 LYS HG2 H 1.57 0.008 1 441 . 38 LYS HG3 H 1.57 0.008 1 442 . 38 LYS CD C 29.05 0.193 1 443 . 38 LYS HD2 H 1.75 0.008 1 444 . 38 LYS HD3 H 1.75 0.008 1 445 . 38 LYS HE2 H 3.04 0.002 1 446 . 38 LYS HE3 H 3.04 0.002 1 447 . 38 LYS C C 172.26 0.000 1 448 . 39 GLU N N 117.10 0.185 1 449 . 39 GLU H H 9.40 0.010 1 450 . 39 GLU CA C 59.40 0.000 1 451 . 39 GLU HA H 4.04 0.004 1 452 . 39 GLU CB C 28.78 0.000 1 453 . 39 GLU HB2 H 2.06 0.010 1 454 . 39 GLU HB3 H 2.06 0.010 1 455 . 39 GLU CG C 36.51 0.055 1 456 . 39 GLU HG2 H 2.40 0.008 2 457 . 39 GLU HG3 H 2.36 0.009 2 458 . 39 GLU C C 172.59 0.019 1 459 . 40 TYR N N 122.29 0.106 1 460 . 40 TYR H H 7.27 0.003 1 461 . 40 TYR CA C 60.47 0.000 1 462 . 40 TYR HA H 4.39 0.006 1 463 . 40 TYR CB C 39.45 0.083 1 464 . 40 TYR HB2 H 3.29 0.011 2 465 . 40 TYR HB3 H 3.18 0.012 2 466 . 40 TYR HD1 H 7.13 0.002 1 467 . 40 TYR HD2 H 7.13 0.002 1 468 . 40 TYR HE1 H 6.84 0.005 1 469 . 40 TYR HE2 H 6.84 0.005 1 470 . 40 TYR C C 174.90 0.009 1 471 . 41 ILE N N 117.90 0.199 1 472 . 41 ILE H H 7.20 0.007 1 473 . 41 ILE CA C 64.78 0.000 1 474 . 41 ILE HA H 3.57 0.006 1 475 . 41 ILE CB C 38.37 0.000 1 476 . 41 ILE HB H 1.85 0.011 1 477 . 41 ILE HG2 H 0.72 0.010 1 478 . 41 ILE CG2 C 18.61 0.100 1 479 . 41 ILE CG1 C 28.41 0.000 1 480 . 41 ILE HG12 H 1.52 0.012 2 481 . 41 ILE HG13 H 0.15 0.012 2 482 . 41 ILE HD1 H 0.58 0.008 1 483 . 41 ILE CD1 C 13.84 0.000 1 484 . 41 ILE C C 173.10 0.008 1 485 . 42 VAL N N 117.10 0.124 1 486 . 42 VAL H H 7.87 0.009 1 487 . 42 VAL CA C 67.06 0.000 1 488 . 42 VAL HA H 3.45 0.009 1 489 . 42 VAL CB C 32.21 0.126 1 490 . 42 VAL HB H 2.04 0.009 1 491 . 42 VAL HG2 H 1.05 0.009 1 492 . 42 VAL HG1 H 0.95 0.011 1 493 . 42 VAL CG1 C 23.60 0.045 1 494 . 42 VAL CG2 C 21.53 0.136 1 495 . 42 VAL C C 173.99 0.006 1 496 . 43 LYS N N 118.86 0.126 1 497 . 43 LYS H H 7.57 0.007 1 498 . 43 LYS CA C 59.07 0.104 1 499 . 43 LYS HA H 3.93 0.007 1 500 . 43 LYS CB C 32.44 0.087 1 501 . 43 LYS HB2 H 2.01 0.009 2 502 . 43 LYS HB3 H 1.91 0.011 2 503 . 43 LYS CG C 25.06 0.099 1 504 . 43 LYS HG2 H 1.53 0.012 2 505 . 43 LYS HG3 H 1.37 0.009 2 506 . 43 LYS CD C 29.64 0.141 1 507 . 43 LYS HD2 H 1.77 0.004 2 508 . 43 LYS HD3 H 1.70 0.006 2 509 . 43 LYS CE C 42.21 0.000 1 510 . 43 LYS HE2 H 3.03 0.002 1 511 . 43 LYS HE3 H 3.03 0.002 1 512 . 43 LYS C C 172.54 0.003 1 513 . 44 LEU N N 116.77 0.166 1 514 . 44 LEU H H 7.35 0.008 1 515 . 44 LEU CA C 57.98 0.000 1 516 . 44 LEU HA H 3.58 0.007 1 517 . 44 LEU CB C 41.85 0.073 1 518 . 44 LEU HB2 H 1.51 0.013 2 519 . 44 LEU HB3 H 0.59 0.010 2 520 . 44 LEU CG C 28.41 0.014 1 521 . 44 LEU HG H 1.05 0.008 1 522 . 44 LEU HD1 H 0.36 0.006 1 523 . 44 LEU HD2 H 0.36 0.005 1 524 . 44 LEU CD1 C 24.86 0.107 1 525 . 44 LEU CD2 C 23.37 0.133 1 526 . 44 LEU C C 172.71 0.022 1 527 . 45 VAL N N 116.08 0.169 1 528 . 45 VAL H H 8.30 0.009 1 529 . 45 VAL CA C 66.18 0.000 1 530 . 45 VAL HA H 3.52 0.006 1 531 . 45 VAL CB C 31.92 0.000 1 532 . 45 VAL HB H 1.80 0.016 1 533 . 45 VAL HG2 H 1.20 0.009 1 534 . 45 VAL HG1 H 0.34 0.007 1 535 . 45 VAL CG1 C 24.86 0.113 1 536 . 45 VAL CG2 C 22.85 0.086 1 537 . 45 VAL C C 173.23 0.007 1 538 . 46 PHE N N 112.48 0.192 1 539 . 46 PHE H H 7.30 0.016 1 540 . 46 PHE CA C 58.68 0.000 1 541 . 46 PHE HA H 4.40 0.005 1 542 . 46 PHE CB C 38.19 0.000 1 543 . 46 PHE HB2 H 3.40 0.007 2 544 . 46 PHE HB3 H 2.94 0.010 2 545 . 46 PHE HD1 H 7.54 0.003 1 546 . 46 PHE HD2 H 7.54 0.003 1 547 . 46 PHE HE1 H 7.17 0.003 1 548 . 46 PHE HE2 H 7.17 0.003 1 549 . 46 PHE HZ H 6.98 0.003 1 550 . 46 PHE C C 176.27 0.003 1 551 . 47 ASP N N 123.34 0.112 1 552 . 47 ASP H H 7.21 0.007 1 553 . 47 ASP CA C 55.01 0.000 1 554 . 47 ASP HA H 4.67 0.008 1 555 . 47 ASP CB C 43.33 0.062 1 556 . 47 ASP HB2 H 3.37 0.006 2 557 . 47 ASP HB3 H 2.92 0.007 2 558 . 47 ASP C C 172.95 0.000 1 559 . 48 ARG N N 125.31 0.073 1 560 . 48 ARG H H 8.76 0.006 1 561 . 48 ARG CA C 58.29 0.000 1 562 . 48 ARG HA H 4.17 0.009 1 563 . 48 ARG CB C 29.76 0.112 1 564 . 48 ARG HB2 H 1.82 0.003 2 565 . 48 ARG HB3 H 1.77 0.012 2 566 . 48 ARG CG C 26.91 0.110 1 567 . 48 ARG HG2 H 1.60 0.015 2 568 . 48 ARG HG3 H 1.23 0.015 2 569 . 48 ARG CD C 43.35 0.004 1 570 . 48 ARG HD2 H 3.15 0.010 1 571 . 48 ARG HD3 H 3.15 0.010 1 572 . 49 HIS N N 116.01 0.119 1 573 . 49 HIS H H 8.03 0.006 1 574 . 49 HIS HA H 4.72 0.000 1 575 . 49 HIS HB2 H 3.10 0.000 1 576 . 49 HIS HB3 H 3.10 0.000 1 577 . 50 HIS CA C 56.45 0.000 1 578 . 50 HIS HA H 4.80 0.006 1 579 . 50 HIS CB C 31.18 0.005 1 580 . 50 HIS HB2 H 3.44 0.014 2 581 . 50 HIS HB3 H 2.86 0.010 2 582 . 50 HIS C C 177.76 0.000 1 583 . 51 GLU N N 122.79 0.123 1 584 . 51 GLU H H 8.61 0.005 1 585 . 51 GLU CA C 54.21 0.000 1 586 . 51 GLU HA H 4.59 0.007 1 587 . 51 GLU CB C 35.24 0.000 1 588 . 51 GLU HB2 H 1.63 0.014 2 589 . 51 GLU HB3 H 0.67 0.014 2 590 . 51 GLU CG C 37.61 0.076 1 591 . 51 GLU HG2 H 1.91 0.009 2 592 . 51 GLU HG3 H 1.74 0.009 2 593 . 51 GLU C C 176.86 0.003 1 594 . 52 SER N N 114.25 0.173 1 595 . 52 SER H H 8.77 0.009 1 596 . 52 SER CA C 58.05 0.036 1 597 . 52 SER HA H 6.07 0.008 1 598 . 52 SER CB C 67.09 0.000 1 599 . 52 SER HB2 H 3.32 0.011 1 600 . 52 SER HB3 H 3.32 0.011 1 601 . 52 SER C C 176.82 0.001 1 602 . 53 MET N N 126.95 0.181 1 603 . 53 MET H H 9.29 0.009 1 604 . 53 MET CA C 54.33 0.000 1 605 . 53 MET HA H 5.58 0.015 1 606 . 53 MET CB C 34.8 0.000 1 607 . 53 MET HB2 H 2.17 0.000 2 608 . 53 MET HB3 H 2.06 0.000 2 609 . 53 MET CG C 32.20 0.000 1 610 . 53 MET HG2 H 2.40 0.000 1 611 . 53 MET HG3 H 2.40 0.000 1 612 . 53 MET HE H 1.91 0.004 1 613 . 53 MET CE C 18.27 0.000 1 614 . 53 MET C C 175.68 0.002 1 615 . 54 VAL N N 120.18 0.164 1 616 . 54 VAL H H 9.18 0.013 1 617 . 54 VAL CA C 58.94 0.000 1 618 . 54 VAL HA H 5.31 0.013 1 619 . 54 VAL CB C 35.06 0.018 1 620 . 54 VAL HB H 2.18 0.011 1 621 . 54 VAL HG1 H 0.89 0.009 1 622 . 54 VAL HG2 H 0.81 0.010 1 623 . 54 VAL CG1 C 23.76 0.099 1 624 . 54 VAL CG2 C 18.81 0.055 1 625 . 54 VAL C C 176.91 0.015 1 626 . 55 ILE N N 118.40 0.195 1 627 . 55 ILE H H 7.78 0.008 1 628 . 55 ILE CA C 59.58 0.000 1 629 . 55 ILE HA H 4.37 0.015 1 630 . 55 ILE CB C 40.23 0.032 1 631 . 55 ILE HB H 1.42 0.014 1 632 . 55 ILE HG2 H 0.44 0.009 1 633 . 55 ILE CG2 C 18.97 0.093 1 634 . 55 ILE CG1 C 26.59 0.000 1 635 . 55 ILE HG12 H 0.98 0.016 1 636 . 55 ILE HG13 H 0.98 0.016 1 637 . 55 ILE HD1 H 0.74 0.035 1 638 . 55 ILE CD1 C 15.07 0.200 1 639 . 55 ILE C C 176.04 0.010 1 640 . 56 LEU N N 127.67 0.239 1 641 . 56 LEU H H 8.83 0.009 1 642 . 56 LEU CA C 52.89 0.008 1 643 . 56 LEU HA H 5.04 0.011 1 644 . 56 LEU CB C 45.14 0.194 1 645 . 56 LEU HB2 H 1.34 0.012 2 646 . 56 LEU HB3 H 0.93 0.008 2 647 . 56 LEU CG C 27.12 0.000 1 648 . 56 LEU HG H 1.23 0.012 1 649 . 56 LEU HD1 H 0.61 0.011 1 650 . 56 LEU HD2 H 0.58 0.009 1 651 . 56 LEU CD1 C 25.97 0.156 1 652 . 56 LEU CD2 C 25.22 0.182 1 653 . 56 LEU C C 174.90 0.009 1 654 . 57 LYS N N 124.84 0.167 1 655 . 57 LYS H H 9.26 0.010 1 656 . 57 LYS CA C 54.97 0.000 1 657 . 57 LYS HA H 4.73 0.010 1 658 . 57 LYS CB C 35.58 0.100 1 659 . 57 LYS HB2 H 1.76 0.009 2 660 . 57 LYS HB3 H 1.39 0.013 2 661 . 57 LYS CG C 25.96 0.151 1 662 . 57 LYS HG2 H 1.30 0.012 1 663 . 57 LYS HG3 H 1.30 0.012 1 664 . 57 LYS CD C 30.04 0.109 1 665 . 57 LYS HD2 H 1.59 0.009 1 666 . 57 LYS HD3 H 1.59 0.009 1 667 . 57 LYS CE C 41.87 0.030 1 668 . 57 LYS HE2 H 2.88 0.009 1 669 . 57 LYS HE3 H 2.88 0.009 1 670 . 57 LYS C C 174.58 0.012 1 671 . 58 ASN N N 125.52 0.233 1 672 . 58 ASN H H 9.38 0.007 1 673 . 58 ASN CA C 54.81 0.020 1 674 . 58 ASN HA H 4.43 0.009 1 675 . 58 ASN CB C 37.61 0.054 1 676 . 58 ASN HB2 H 3.05 0.010 2 677 . 58 ASN HB3 H 2.80 0.012 2 678 . 58 ASN ND2 N 113.68 0.000 1 679 . 58 ASN HD21 H 7.63 0.005 1 680 . 58 ASN HD22 H 6.98 0.004 1 681 . 58 ASN C C 176.25 0.018 1 682 . 59 LYS N N 112.16 0.112 1 683 . 59 LYS H H 9.21 0.009 1 684 . 59 LYS CA C 59.14 0.072 1 685 . 59 LYS HA H 3.51 0.009 1 686 . 59 LYS CB C 31.34 0.077 1 687 . 59 LYS HB2 H 2.19 0.008 2 688 . 59 LYS HB3 H 1.92 0.009 2 689 . 59 LYS CG C 25.62 0.103 1 690 . 59 LYS HG2 H 1.39 0.011 2 691 . 59 LYS HG3 H 1.31 0.010 2 692 . 59 LYS CD C 28.75 0.098 1 693 . 59 LYS HD2 H 1.65 0.005 2 694 . 59 LYS HD3 H 1.60 0.002 2 695 . 59 LYS CE C 42.24 0.000 1 696 . 59 LYS HE2 H 2.97 0.000 1 697 . 59 LYS HE3 H 2.97 0.000 1 698 . 59 LYS C C 174.40 0.003 1 699 . 60 GLN N N 116.28 0.136 1 700 . 60 GLN H H 7.76 0.006 1 701 . 60 GLN CA C 56.54 0.062 1 702 . 60 GLN HA H 4.57 0.008 1 703 . 60 GLN CB C 32.47 0.000 1 704 . 60 GLN HB2 H 2.14 0.009 2 705 . 60 GLN HB3 H 1.95 0.008 2 706 . 60 GLN CG C 33.56 0.067 1 707 . 60 GLN HG2 H 2.39 0.007 2 708 . 60 GLN HG3 H 2.34 0.007 2 709 . 60 GLN NE2 N 112.39 0.011 1 710 . 60 GLN HE21 H 7.45 0.007 1 711 . 60 GLN HE22 H 6.85 0.006 1 712 . 60 GLN C C 176.89 0.015 1 713 . 61 LYS N N 121.25 0.109 1 714 . 61 LYS H H 7.88 0.006 1 715 . 61 LYS CA C 54.80 0.000 1 716 . 61 LYS HA H 4.64 0.010 1 717 . 61 LYS CB C 34.46 0.117 1 718 . 61 LYS HB2 H 1.86 0.010 2 719 . 61 LYS HB3 H 1.72 0.012 2 720 . 61 LYS CG C 24.70 0.110 1 721 . 61 LYS HG2 H 1.33 0.011 2 722 . 61 LYS HG3 H 1.19 0.009 2 723 . 61 LYS CD C 29.31 0.081 1 724 . 61 LYS HD2 H 1.67 0.011 2 725 . 61 LYS HD3 H 1.60 0.008 2 726 . 61 LYS CE C 42.12 0.000 1 727 . 61 LYS HE2 H 2.95 0.006 1 728 . 61 LYS HE3 H 2.95 0.006 1 729 . 61 LYS C C 175.43 0.006 1 730 . 62 VAL N N 129.45 0.151 1 731 . 62 VAL H H 9.18 0.006 1 732 . 62 VAL CA C 63.27 0.000 1 733 . 62 VAL HA H 4.22 0.008 1 734 . 62 VAL CB C 32.27 0.027 1 735 . 62 VAL HB H 1.93 0.006 1 736 . 62 VAL HG2 H 1.08 0.010 1 737 . 62 VAL HG1 H 0.78 0.009 1 738 . 62 VAL CG1 C 23.58 0.093 1 739 . 62 VAL CG2 C 22.28 0.118 1 740 . 62 VAL C C 174.16 0.001 1 741 . 63 ILE N N 119.17 0.184 1 742 . 63 ILE H H 8.56 0.010 1 743 . 63 ILE CA C 60.58 0.003 1 744 . 63 ILE HA H 4.63 0.008 1 745 . 63 ILE CB C 39.61 0.123 1 746 . 63 ILE HB H 2.00 0.010 1 747 . 63 ILE HG2 H 0.77 0.009 1 748 . 63 ILE CG2 C 18.24 0.103 1 749 . 63 ILE CG1 C 26.56 0.000 1 750 . 63 ILE HG12 H 1.38 0.007 1 751 . 63 ILE HG13 H 1.38 0.007 1 752 . 63 ILE HD1 H 0.44 0.009 1 753 . 63 ILE CD1 C 14.70 0.196 1 754 . 63 ILE C C 176.13 0.025 1 755 . 64 GLY N N 108.22 0.125 1 756 . 64 GLY H H 7.46 0.010 1 757 . 64 GLY CA C 46.26 0.110 1 758 . 64 GLY HA2 H 4.36 0.011 2 759 . 64 GLY HA3 H 3.96 0.011 2 760 . 64 GLY C C 180.10 0.031 1 761 . 65 GLY N N 105.83 0.159 1 762 . 65 GLY H H 8.97 0.006 1 763 . 65 GLY CA C 47.91 0.169 1 764 . 65 GLY HA2 H 4.83 0.004 2 765 . 65 GLY HA3 H 4.28 0.016 2 766 . 65 GLY C C 181.06 0.004 1 767 . 66 ILE N N 118.10 0.134 1 768 . 66 ILE H H 9.24 0.007 1 769 . 66 ILE CA C 58.81 0.000 1 770 . 66 ILE HA H 5.44 0.015 1 771 . 66 ILE CB C 43.28 0.153 1 772 . 66 ILE HB H 1.62 0.011 1 773 . 66 ILE HG2 H 0.85 0.009 1 774 . 66 ILE CG2 C 16.95 0.090 1 775 . 66 ILE CG1 C 28.97 0.000 1 776 . 66 ILE HG12 H 1.74 0.004 2 777 . 66 ILE HG13 H 0.73 0.011 2 778 . 66 ILE HD1 H 0.38 0.008 1 779 . 66 ILE CD1 C 14.53 0.148 1 780 . 66 ILE C C 177.66 0.015 1 781 . 67 CYS N N 129.50 0.206 1 782 . 67 CYS H H 8.96 0.009 1 783 . 67 CYS CA C 57.58 0.000 1 784 . 67 CYS HA H 5.78 0.006 1 785 . 67 CYS CB C 29.70 0.000 1 786 . 67 CYS HB2 H 3.19 0.014 2 787 . 67 CYS HB3 H 2.31 0.008 2 788 . 67 CYS C C 177.19 0.012 1 789 . 68 PHE N N 129.34 0.169 1 790 . 68 PHE H H 10.02 0.010 1 791 . 68 PHE CA C 55.73 0.000 1 792 . 68 PHE HA H 5.85 0.006 1 793 . 68 PHE CB C 44.01 0.000 1 794 . 68 PHE HB2 H 3.16 0.007 2 795 . 68 PHE HB3 H 2.81 0.002 2 796 . 68 PHE C C 179.73 0.021 1 797 . 69 ARG N N 120.61 0.168 1 798 . 69 ARG H H 8.91 0.011 1 799 . 69 ARG CA C 55.64 0.000 1 800 . 69 ARG HA H 4.75 0.004 1 801 . 69 ARG CB C 33.38 0.000 1 802 . 69 ARG HB2 H 2.09 0.000 2 803 . 69 ARG HB3 H 1.73 0.000 2 804 . 69 ARG CG C 26.61 0.000 1 805 . 69 ARG CD C 43.69 0.000 1 806 . 69 ARG C C 175.80 0.005 1 807 . 70 GLN N N 126.74 0.204 1 808 . 70 GLN H H 9.73 0.006 1 809 . 70 GLN CA C 56.45 0.000 1 810 . 70 GLN HA H 4.50 0.010 1 811 . 70 GLN CB C 32.10 0.000 1 812 . 70 GLN HB2 H 2.10 0.009 2 813 . 70 GLN HB3 H 2.01 0.008 2 814 . 70 GLN CG C 35.05 0.020 1 815 . 70 GLN HG2 H 2.52 0.011 2 816 . 70 GLN HG3 H 2.09 0.007 2 817 . 70 GLN NE2 N 112.68 0.029 1 818 . 70 GLN HE21 H 8.55 0.009 1 819 . 70 GLN HE22 H 6.55 0.004 1 820 . 70 GLN C C 176.75 0.011 1 821 . 71 TYR N N 127.26 0.221 1 822 . 71 TYR H H 8.92 0.014 1 823 . 71 TYR CA C 56.58 0.000 1 824 . 71 TYR HA H 4.48 0.015 1 825 . 71 TYR CB C 35.95 0.060 1 826 . 71 TYR HB2 H 2.57 0.021 2 827 . 71 TYR HB3 H 1.76 0.019 2 828 . 71 TYR HD1 H 6.60 0.004 1 829 . 71 TYR HD2 H 6.60 0.004 1 830 . 71 TYR HE1 H 6.71 0.008 1 831 . 71 TYR HE2 H 6.71 0.008 1 832 . 71 TYR C C 174.99 0.013 1 833 . 72 LYS N N 121.62 0.203 1 834 . 72 LYS H H 8.64 0.010 1 835 . 72 LYS CA C 62.68 0.000 1 836 . 72 LYS HA H 3.93 0.010 1 837 . 72 LYS CB C 30.26 0.000 1 838 . 72 LYS HB2 H 1.93 0.010 1 839 . 72 LYS HB3 H 1.93 0.010 1 840 . 72 LYS CG C 26.38 0.000 1 841 . 72 LYS HG2 H 1.54 0.010 2 842 . 72 LYS HG3 H 1.44 0.007 2 843 . 72 LYS CD C 29.52 0.000 1 844 . 72 LYS HD2 H 1.76 0.006 1 845 . 72 LYS HD3 H 1.76 0.006 1 846 . 72 LYS HE2 H 3.09 0.004 2 847 . 72 LYS HE3 H 3.01 0.002 2 848 . 72 LYS C C 173.74 0.000 1 849 . 73 PRO CD C 50.37 0.025 1 850 . 73 PRO CA C 66.00 0.028 1 851 . 73 PRO HA H 4.40 0.007 1 852 . 73 PRO CB C 30.61 0.056 1 853 . 73 PRO HB2 H 2.42 0.007 2 854 . 73 PRO HB3 H 1.83 0.008 2 855 . 73 PRO CG C 28.39 0.092 1 856 . 73 PRO HG2 H 2.18 0.009 2 857 . 73 PRO HG3 H 2.02 0.006 2 858 . 73 PRO HD2 H 3.85 0.010 2 859 . 73 PRO HD3 H 3.71 0.012 2 860 . 73 PRO C C 172.95 0.000 1 861 . 74 GLN N N 114.72 0.164 1 862 . 74 GLN H H 7.12 0.011 1 863 . 74 GLN CA C 57.62 0.052 1 864 . 74 GLN HA H 4.28 0.010 1 865 . 74 GLN CB C 29.1 0.000 1 866 . 74 GLN HB2 H 2.30 0.013 2 867 . 74 GLN HB3 H 2.00 0.010 2 868 . 74 GLN CG C 34.65 0.079 1 869 . 74 GLN HG2 H 2.43 0.011 2 870 . 74 GLN HG3 H 2.29 0.009 2 871 . 74 GLN NE2 N 111.43 0.000 1 872 . 74 GLN HE21 H 7.30 0.007 1 873 . 74 GLN HE22 H 6.52 0.007 1 874 . 74 GLN C C 176.37 0.000 1 875 . 75 ARG N N 113.76 0.175 1 876 . 75 ARG H H 8.22 0.009 1 877 . 75 ARG CA C 57.55 0.000 1 878 . 75 ARG HA H 3.86 0.009 1 879 . 75 ARG CB C 28.41 0.000 1 880 . 75 ARG HB2 H 2.46 0.009 2 881 . 75 ARG HB3 H 2.30 0.007 2 882 . 75 ARG CG C 27.43 0.147 1 883 . 75 ARG HG2 H 1.75 0.012 1 884 . 75 ARG HG3 H 1.75 0.012 1 885 . 75 ARG CD C 43.91 0.001 1 886 . 75 ARG HD2 H 3.38 0.006 2 887 . 75 ARG HD3 H 3.33 0.004 2 888 . 75 ARG C C 175.74 0.013 1 889 . 76 PHE N N 115.37 0.150 1 890 . 76 PHE H H 7.87 0.011 1 891 . 76 PHE CA C 56.28 0.000 1 892 . 76 PHE HA H 6.22 0.009 1 893 . 76 PHE CB C 43.49 0.000 1 894 . 76 PHE HB2 H 3.08 0.007 2 895 . 76 PHE HB3 H 2.94 0.008 2 896 . 76 PHE HD1 H 6.85 0.003 1 897 . 76 PHE HD2 H 6.85 0.003 1 898 . 76 PHE HE1 H 6.77 0.002 1 899 . 76 PHE HE2 H 6.77 0.002 1 900 . 76 PHE HZ H 6.39 0.002 1 901 . 76 PHE C C 179.02 0.022 1 902 . 77 ALA N N 120.79 0.139 1 903 . 77 ALA H H 8.79 0.013 1 904 . 77 ALA CA C 50.74 0.000 1 905 . 77 ALA HA H 5.41 0.008 1 906 . 77 ALA HB H 1.45 0.012 1 907 . 77 ALA CB C 23.76 0.104 1 908 . 77 ALA C C 175.85 0.028 1 909 . 78 GLU N N 123.36 0.199 1 910 . 78 GLU H H 9.35 0.008 1 911 . 78 GLU CA C 54.12 0.000 1 912 . 78 GLU HA H 5.40 0.005 1 913 . 78 GLU CB C 30.4 0.000 1 914 . 78 GLU HB2 H 2.30 0.000 2 915 . 78 GLU HB3 H 2.11 0.003 2 916 . 78 GLU CG C 35.98 0.000 1 917 . 78 GLU HG2 H 2.51 0.009 1 918 . 78 GLU HG3 H 2.51 0.009 1 919 . 78 GLU C C 174.36 0.017 1 920 . 79 VAL N N 127.35 0.224 1 921 . 79 VAL H H 9.25 0.014 1 922 . 79 VAL CA C 62.72 0.000 1 923 . 79 VAL HA H 4.12 0.011 1 924 . 79 VAL CB C 32.84 0.000 1 925 . 79 VAL HB H 2.02 0.011 1 926 . 79 VAL HG2 H 1.15 0.009 1 927 . 79 VAL HG1 H 0.85 0.009 1 928 . 79 VAL CG1 C 22.30 0.076 1 929 . 79 VAL CG2 C 20.64 0.070 1 930 . 79 VAL C C 176.22 0.004 1 931 . 80 ALA N N 134.84 0.145 1 932 . 80 ALA H H 9.22 0.003 1 933 . 80 ALA CA C 54.34 0.000 1 934 . 80 ALA HA H 4.22 0.011 1 935 . 80 ALA HB H 0.58 0.009 1 936 . 80 ALA CB C 18.79 0.065 1 937 . 80 ALA C C 175.03 0.014 1 938 . 81 PHE N N 109.80 0.185 1 939 . 81 PHE H H 6.91 0.009 1 940 . 81 PHE CA C 54.13 0.000 1 941 . 81 PHE HA H 4.93 0.010 1 942 . 81 PHE CB C 42.39 0.100 1 943 . 81 PHE HB2 H 2.49 0.013 2 944 . 81 PHE HB3 H 1.85 0.016 2 945 . 81 PHE HD1 H 6.57 0.009 1 946 . 81 PHE HD2 H 6.57 0.009 1 947 . 81 PHE HE1 H 7.01 0.003 1 948 . 81 PHE HE2 H 7.01 0.003 1 949 . 81 PHE HZ H 6.84 0.004 1 950 . 81 PHE C C 177.36 0.004 1 951 . 82 LEU N N 122.52 0.126 1 952 . 82 LEU H H 7.87 0.006 1 953 . 82 LEU CA C 55.48 0.000 1 954 . 82 LEU HA H 5.48 0.004 1 955 . 82 LEU CB C 45.91 0.096 1 956 . 82 LEU HB2 H 1.66 0.008 2 957 . 82 LEU HB3 H 1.59 0.009 2 958 . 82 LEU CG C 27.86 0.000 1 959 . 82 LEU HG H 1.46 0.010 1 960 . 82 LEU HD1 H 0.85 0.009 1 961 . 82 LEU HD2 H 0.76 0.013 1 962 . 82 LEU CD1 C 25.98 0.126 1 963 . 82 LEU CD2 C 26.73 0.071 1 964 . 82 LEU C C 177.11 0.010 1 965 . 83 ALA N N 123.26 0.141 1 966 . 83 ALA H H 8.72 0.008 1 967 . 83 ALA CA C 52.23 0.000 1 968 . 83 ALA HA H 5.00 0.013 1 969 . 83 ALA HB H 1.56 0.007 1 970 . 83 ALA CB C 23.96 0.072 1 971 . 83 ALA C C 176.93 0.005 1 972 . 84 VAL N N 122.01 0.132 1 973 . 84 VAL H H 9.27 0.003 1 974 . 84 VAL CA C 61.24 0.000 1 975 . 84 VAL HA H 4.51 0.009 1 976 . 84 VAL CB C 36.32 0.051 1 977 . 84 VAL HB H 1.84 0.010 1 978 . 84 VAL HG1 H 1.17 0.013 1 979 . 84 VAL HG2 H 0.95 0.013 1 980 . 84 VAL CG1 C 21.05 0.061 1 981 . 84 VAL CG2 C 21.48 0.289 1 982 . 84 VAL C C 176.22 0.007 1 983 . 85 THR N N 120.77 0.199 1 984 . 85 THR H H 8.55 0.007 1 985 . 85 THR CA C 62.80 0.019 1 986 . 85 THR HA H 4.31 0.017 1 987 . 85 THR CB C 69.57 0.043 1 988 . 85 THR HB H 4.00 0.008 1 989 . 85 THR HG2 H 1.37 0.007 1 990 . 85 THR CG2 C 21.03 0.032 1 991 . 85 THR C C 176.25 0.006 1 992 . 86 ALA N N 128.98 0.156 1 993 . 86 ALA H H 7.56 0.008 1 994 . 86 ALA CA C 56.81 0.000 1 995 . 86 ALA HA H 3.86 0.011 1 996 . 86 ALA HB H 1.49 0.006 1 997 . 86 ALA CB C 19.54 0.052 1 998 . 86 ALA C C 171.45 0.018 1 999 . 87 ASN N N 113.70 0.144 1 1000 . 87 ASN H H 8.79 0.007 1 1001 . 87 ASN CA C 54.84 0.009 1 1002 . 87 ASN HA H 4.59 0.011 1 1003 . 87 ASN CB C 37.63 0.008 1 1004 . 87 ASN HB2 H 2.93 0.009 1 1005 . 87 ASN HB3 H 2.93 0.009 1 1006 . 87 ASN ND2 N 112.72 0.003 1 1007 . 87 ASN HD21 H 7.56 0.007 1 1008 . 87 ASN HD22 H 6.83 0.006 1 1009 . 87 ASN C C 175.33 0.013 1 1010 . 88 GLU N N 117.34 0.141 1 1011 . 88 GLU H H 7.93 0.009 1 1012 . 88 GLU CA C 54.58 0.065 1 1013 . 88 GLU HA H 4.93 0.007 1 1014 . 88 GLU CB C 29.3 0.000 1 1015 . 88 GLU HB2 H 1.47 0.010 1 1016 . 88 GLU HB3 H 1.47 0.010 1 1017 . 88 GLU CG C 33.33 0.000 1 1018 . 88 GLU HG2 H 2.03 0.007 1 1019 . 88 GLU HG3 H 2.03 0.007 1 1020 . 88 GLU C C 175.81 0.030 1 1021 . 89 GLN N N 118.94 0.149 1 1022 . 89 GLN H H 6.87 0.008 1 1023 . 89 GLN CA C 56.91 0.004 1 1024 . 89 GLN HA H 4.14 0.008 1 1025 . 89 GLN CB C 29.8 0.000 1 1026 . 89 GLN HB2 H 2.27 0.010 2 1027 . 89 GLN HB3 H 2.00 0.010 2 1028 . 89 GLN CG C 34.92 0.000 1 1029 . 89 GLN HG2 H 2.76 0.004 2 1030 . 89 GLN HG3 H 2.20 0.005 2 1031 . 89 GLN NE2 N 109.72 0.006 1 1032 . 89 GLN HE21 H 7.64 0.007 1 1033 . 89 GLN HE22 H 6.42 0.007 1 1034 . 89 GLN C C 175.42 0.004 1 1035 . 90 VAL N N 117.58 0.168 1 1036 . 90 VAL H H 9.84 0.013 1 1037 . 90 VAL CA C 63.02 0.000 1 1038 . 90 VAL HA H 3.97 0.008 1 1039 . 90 VAL CB C 30.44 0.000 1 1040 . 90 VAL HB H 2.50 0.007 1 1041 . 90 VAL HG1 H 1.14 0.010 1 1042 . 90 VAL HG2 H 0.90 0.008 1 1043 . 90 VAL CG1 C 25.26 0.045 1 1044 . 90 VAL CG2 C 22.13 0.038 1 1045 . 90 VAL C C 174.95 0.000 1 1046 . 91 ARG N N 119.08 0.145 1 1047 . 91 ARG H H 9.62 0.007 1 1048 . 91 ARG CA C 54.79 0.000 1 1049 . 91 ARG HA H 4.39 0.010 1 1050 . 91 ARG CB C 30.81 0.000 1 1051 . 91 ARG HB2 H 1.50 0.007 2 1052 . 91 ARG HB3 H 0.84 0.014 2 1053 . 91 ARG CG C 27.09 0.092 1 1054 . 91 ARG HG2 H 1.40 0.009 2 1055 . 91 ARG HG3 H 1.30 0.008 2 1056 . 91 ARG CD C 43.88 0.065 1 1057 . 91 ARG HD2 H 3.09 0.006 1 1058 . 91 ARG HD3 H 3.09 0.006 1 1059 . 91 ARG C C 174.23 0.007 1 1060 . 92 GLY N N 112.02 0.200 1 1061 . 92 GLY H H 9.02 0.007 1 1062 . 92 GLY CA C 45.59 0.046 1 1063 . 92 GLY HA2 H 4.23 0.008 2 1064 . 92 GLY HA3 H 4.11 0.013 2 1065 . 92 GLY C C 174.08 0.019 1 1066 . 93 TYR N N 123.80 0.128 1 1067 . 93 TYR H H 9.25 0.009 1 1068 . 93 TYR CA C 59.40 0.000 1 1069 . 93 TYR HA H 4.48 0.008 1 1070 . 93 TYR CB C 36.13 0.064 1 1071 . 93 TYR HB2 H 3.20 0.012 2 1072 . 93 TYR HB3 H 2.96 0.010 2 1073 . 93 TYR HD1 H 7.04 0.008 1 1074 . 93 TYR HD2 H 7.04 0.008 1 1075 . 93 TYR HE1 H 7.00 0.002 1 1076 . 93 TYR HE2 H 7.00 0.002 1 1077 . 93 TYR C C 172.66 0.010 1 1078 . 94 GLY N N 113.19 0.123 1 1079 . 94 GLY H H 10.09 0.007 1 1080 . 94 GLY CA C 47.43 0.040 1 1081 . 94 GLY HA2 H 3.99 0.013 2 1082 . 94 GLY HA3 H 3.48 0.009 2 1083 . 94 GLY C C 174.06 0.019 1 1084 . 95 THR N N 122.20 0.321 1 1085 . 95 THR H H 8.24 0.017 1 1086 . 95 THR CA C 67.40 0.048 1 1087 . 95 THR HA H 3.94 0.006 1 1088 . 95 THR CB C 68.99 0.005 1 1089 . 95 THR HB H 4.21 0.008 1 1090 . 95 THR HG2 H 1.30 0.012 1 1091 . 95 THR CG2 C 20.87 0.026 1 1092 . 95 THR C C 175.33 0.008 1 1093 . 96 ARG N N 122.32 0.217 1 1094 . 96 ARG H H 8.09 0.007 1 1095 . 96 ARG CA C 60.00 0.000 1 1096 . 96 ARG HA H 4.16 0.010 1 1097 . 96 ARG CB C 30.74 0.155 1 1098 . 96 ARG HB2 H 2.12 0.011 1 1099 . 96 ARG HB3 H 2.12 0.011 1 1100 . 96 ARG CG C 27.66 0.062 1 1101 . 96 ARG HG2 H 2.07 0.010 2 1102 . 96 ARG HG3 H 1.92 0.009 2 1103 . 96 ARG CD C 44.09 0.000 1 1104 . 96 ARG HD2 H 3.38 0.007 2 1105 . 96 ARG HD3 H 3.29 0.009 2 1106 . 96 ARG C C 171.56 0.001 1 1107 . 97 LEU N N 121.00 0.143 1 1108 . 97 LEU H H 8.93 0.008 1 1109 . 97 LEU CA C 58.19 0.000 1 1110 . 97 LEU HA H 4.14 0.010 1 1111 . 97 LEU CB C 42.01 0.162 1 1112 . 97 LEU HB2 H 2.24 0.010 2 1113 . 97 LEU HB3 H 1.69 0.007 2 1114 . 97 LEU CG C 27.49 0.000 1 1115 . 97 LEU HG H 1.50 0.012 1 1116 . 97 LEU HD1 H 0.99 0.008 1 1117 . 97 LEU HD2 H 0.83 0.012 1 1118 . 97 LEU CD1 C 22.86 0.066 1 1119 . 97 LEU CD2 C 25.96 0.115 1 1120 . 97 LEU C C 173.94 0.006 1 1121 . 98 MET N N 118.90 0.165 1 1122 . 98 MET H H 8.18 0.005 1 1123 . 98 MET CA C 57.28 0.000 1 1124 . 98 MET HA H 4.52 0.009 1 1125 . 98 MET CB C 30.26 0.000 1 1126 . 98 MET HB2 H 2.31 0.007 2 1127 . 98 MET HB3 H 2.25 0.013 2 1128 . 98 MET CG C 33.33 0.121 1 1129 . 98 MET HG2 H 2.83 0.006 2 1130 . 98 MET HG3 H 2.68 0.013 2 1131 . 98 MET HE H 2.13 0.007 1 1132 . 98 MET CE C 16.79 0.000 1 1133 . 98 MET C C 172.64 0.011 1 1134 . 99 ASN N N 119.78 0.164 1 1135 . 99 ASN H H 8.55 0.008 1 1136 . 99 ASN CA C 56.45 0.000 1 1137 . 99 ASN HA H 4.49 0.005 1 1138 . 99 ASN CB C 37.44 0.022 1 1139 . 99 ASN HB2 H 3.11 0.012 2 1140 . 99 ASN HB3 H 2.88 0.015 2 1141 . 99 ASN ND2 N 113.05 0.014 1 1142 . 99 ASN HD21 H 7.67 0.004 1 1143 . 99 ASN HD22 H 7.05 0.006 1 1144 . 99 ASN C C 173.60 0.018 1 1145 . 100 LYS N N 122.60 0.207 1 1146 . 100 LYS H H 8.16 0.012 1 1147 . 100 LYS CA C 57.74 0.000 1 1148 . 100 LYS HA H 3.95 0.012 1 1149 . 100 LYS CB C 31.51 0.101 1 1150 . 100 LYS HB2 H 1.57 0.011 2 1151 . 100 LYS HB3 H 1.42 0.009 2 1152 . 100 LYS CG C 23.76 0.137 1 1153 . 100 LYS HG2 H 0.58 0.009 2 1154 . 100 LYS HG3 H 0.52 0.017 2 1155 . 100 LYS CD C 28.22 0.027 1 1156 . 100 LYS HD2 H 1.46 0.007 2 1157 . 100 LYS HD3 H 1.22 0.004 2 1158 . 100 LYS HE2 H 2.68 0.006 1 1159 . 100 LYS HE3 H 2.68 0.006 1 1160 . 100 LYS C C 171.43 0.001 1 1161 . 101 PHE N N 123.39 0.156 1 1162 . 101 PHE H H 8.92 0.009 1 1163 . 101 PHE CA C 61.60 0.000 1 1164 . 101 PHE HA H 4.10 0.013 1 1165 . 101 PHE CB C 38.91 0.000 1 1166 . 101 PHE HB2 H 3.32 0.006 2 1167 . 101 PHE HB3 H 3.26 0.003 2 1168 . 101 PHE HD1 H 6.90 0.005 1 1169 . 101 PHE HD2 H 6.90 0.005 1 1170 . 101 PHE HE1 H 5.95 0.001 1 1171 . 101 PHE HE2 H 5.95 0.001 1 1172 . 101 PHE HZ H 6.39 0.004 1 1173 . 101 PHE C C 174.11 0.009 1 1174 . 102 LYS N N 121.02 0.178 1 1175 . 102 LYS H H 8.59 0.009 1 1176 . 102 LYS CA C 61.24 0.000 1 1177 . 102 LYS HA H 3.05 0.015 1 1178 . 102 LYS CB C 32.0 0.000 1 1179 . 102 LYS HB2 H 1.69 0.000 2 1180 . 102 LYS HB3 H 1.52 0.000 2 1181 . 102 LYS HG2 H 0.65 0.002 1 1182 . 102 LYS HG3 H 0.65 0.002 1 1183 . 102 LYS C C 173.29 0.003 1 1184 . 103 ASP N N 118.69 0.215 1 1185 . 103 ASP H H 7.77 0.010 1 1186 . 103 ASP CA C 57.89 0.000 1 1187 . 103 ASP HA H 4.27 0.013 1 1188 . 103 ASP CB C 42.14 0.000 1 1189 . 103 ASP HB2 H 2.77 0.005 2 1190 . 103 ASP HB3 H 2.64 0.002 2 1191 . 103 ASP C C 174.16 0.032 1 1192 . 104 HIS N N 119.57 0.145 1 1193 . 104 HIS H H 7.98 0.009 1 1194 . 104 HIS CA C 59.95 0.000 1 1195 . 104 HIS HA H 4.22 0.011 1 1196 . 104 HIS CB C 31.25 0.114 1 1197 . 104 HIS HB2 H 3.03 0.010 1 1198 . 104 HIS HB3 H 3.03 0.010 1 1199 . 104 HIS HD2 H 6.34 0.004 1 1200 . 104 HIS HE1 H 7.75 0.007 1 1201 . 104 HIS C C 173.31 0.002 1 1202 . 105 MET N N 117.36 0.144 1 1203 . 105 MET H H 8.27 0.007 1 1204 . 105 MET CA C 57.22 0.045 1 1205 . 105 MET HA H 3.71 0.010 1 1206 . 105 MET CB C 28.8 0.000 1 1207 . 105 MET HB2 H 1.74 0.003 2 1208 . 105 MET HB3 H 1.11 0.009 2 1209 . 105 MET CG C 32.52 0.000 1 1210 . 105 MET HE H 1.56 0.005 1 1211 . 105 MET CE C 21.77 0.000 1 1212 . 105 MET C C 172.67 0.021 1 1213 . 106 GLN N N 122.62 0.169 1 1214 . 106 GLN H H 8.51 0.006 1 1215 . 106 GLN CA C 59.54 0.095 1 1216 . 106 GLN HA H 3.81 0.011 1 1217 . 106 GLN CB C 30.81 0.000 1 1218 . 106 GLN HB2 H 2.49 0.013 2 1219 . 106 GLN HB3 H 2.01 0.011 2 1220 . 106 GLN CG C 35.39 0.095 1 1221 . 106 GLN HG2 H 2.29 0.008 1 1222 . 106 GLN HG3 H 1.98 0.005 1 1223 . 106 GLN NE2 N 116.79 0.000 1 1224 . 106 GLN HE21 H 8.00 0.003 1 1225 . 106 GLN HE22 H 8.25 0.010 1 1226 . 106 GLN C C 170.37 0.009 1 1227 . 107 LYS N N 121.26 0.191 1 1228 . 107 LYS H H 7.87 0.007 1 1229 . 107 LYS CA C 58.91 0.023 1 1230 . 107 LYS HA H 4.03 0.009 1 1231 . 107 LYS CB C 32.24 0.098 1 1232 . 107 LYS HB2 H 1.91 0.008 1 1233 . 107 LYS HB3 H 1.91 0.008 1 1234 . 107 LYS CG C 26.88 0.151 1 1235 . 107 LYS HG2 H 1.66 0.008 2 1236 . 107 LYS HG3 H 1.53 0.006 2 1237 . 107 LYS CD C 28.54 0.000 1 1238 . 107 LYS CE C 42.52 0.000 1 1239 . 107 LYS HE2 H 3.03 0.002 1 1240 . 107 LYS HE3 H 3.03 0.002 1 1241 . 107 LYS C C 173.30 0.008 1 1242 . 108 GLN N N 118.07 0.137 1 1243 . 108 GLN H H 7.49 0.008 1 1244 . 108 GLN CA C 54.28 0.101 1 1245 . 108 GLN HA H 4.17 0.007 1 1246 . 108 GLN CB C 28.97 0.000 1 1247 . 108 GLN HB2 H 2.37 0.008 2 1248 . 108 GLN HB3 H 1.75 0.013 2 1249 . 108 GLN CG C 33.18 0.060 1 1250 . 108 GLN HG2 H 1.99 0.011 2 1251 . 108 GLN HG3 H 1.81 0.015 2 1252 . 108 GLN NE2 N 115.18 0.005 1 1253 . 108 GLN HE21 H 6.74 0.003 1 1254 . 108 GLN HE22 H 6.89 0.003 1 1255 . 108 GLN C C 176.37 0.000 1 1256 . 109 ASN N N 114.01 0.171 1 1257 . 109 ASN H H 7.81 0.010 1 1258 . 109 ASN CA C 54.70 0.049 1 1259 . 109 ASN HA H 4.26 0.008 1 1260 . 109 ASN CB C 37.40 0.128 1 1261 . 109 ASN HB2 H 3.11 0.008 2 1262 . 109 ASN HB3 H 2.80 0.009 2 1263 . 109 ASN ND2 N 112.50 0.000 1 1264 . 109 ASN HD21 H 7.44 0.003 1 1265 . 109 ASN HD22 H 6.79 0.008 1 1266 . 109 ASN C C 177.28 0.005 1 1267 . 110 ILE N N 120.71 0.172 1 1268 . 110 ILE H H 7.71 0.007 1 1269 . 110 ILE CA C 59.44 0.000 1 1270 . 110 ILE HA H 3.57 0.010 1 1271 . 110 ILE CB C 35.74 0.084 1 1272 . 110 ILE HB H 1.74 0.013 1 1273 . 110 ILE HG2 H 0.61 0.012 1 1274 . 110 ILE CG2 C 17.86 0.089 1 1275 . 110 ILE CG1 C 26.53 0.000 1 1276 . 110 ILE HG12 H 1.45 0.000 2 1277 . 110 ILE HG13 H 1.25 0.005 2 1278 . 110 ILE HD1 H 0.60 0.013 1 1279 . 110 ILE CD1 C 9.78 0.000 1 1280 . 110 ILE C C 176.33 0.020 1 1281 . 111 GLU N N 126.17 0.138 1 1282 . 111 GLU H H 7.91 0.010 1 1283 . 111 GLU CA C 57.00 0.033 1 1284 . 111 GLU HA H 4.22 0.010 1 1285 . 111 GLU CB C 33.76 0.000 1 1286 . 111 GLU HB2 H 2.02 0.013 1 1287 . 111 GLU HB3 H 2.02 0.013 1 1288 . 111 GLU CG C 37.25 0.057 1 1289 . 111 GLU HG2 H 2.27 0.008 2 1290 . 111 GLU HG3 H 2.15 0.007 2 1291 . 111 GLU C C 176.68 0.012 1 1292 . 112 TYR N N 113.78 0.244 1 1293 . 112 TYR H H 7.40 0.011 1 1294 . 112 TYR CA C 56.75 0.000 1 1295 . 112 TYR HA H 5.54 0.010 1 1296 . 112 TYR CB C 44.29 0.017 1 1297 . 112 TYR HB2 H 2.80 0.023 1 1298 . 112 TYR HB3 H 2.80 0.023 1 1299 . 112 TYR HD1 H 7.09 0.007 1 1300 . 112 TYR HD2 H 7.09 0.007 1 1301 . 112 TYR HE1 H 6.77 0.002 1 1302 . 112 TYR C C 176.21 0.006 1 1303 . 113 LEU N N 118.40 0.187 1 1304 . 113 LEU H H 9.04 0.008 1 1305 . 113 LEU CA C 52.10 0.000 1 1306 . 113 LEU HA H 5.56 0.010 1 1307 . 113 LEU CB C 44.31 0.000 1 1308 . 113 LEU HB2 H 1.72 0.004 2 1309 . 113 LEU HB3 H 1.33 0.000 2 1310 . 113 LEU CG C 26.94 0.000 1 1311 . 113 LEU HG H 1.52 0.015 1 1312 . 113 LEU HD1 H 0.85 0.007 1 1313 . 113 LEU HD2 H 0.73 0.012 1 1314 . 113 LEU CD1 C 26.38 0.000 1 1315 . 113 LEU CD2 C 24.36 0.000 1 1316 . 113 LEU C C 175.19 0.019 1 1317 . 114 LEU N N 121.48 0.192 1 1318 . 114 LEU H H 8.88 0.012 1 1319 . 114 LEU CA C 53.40 0.000 1 1320 . 114 LEU HA H 5.57 0.011 1 1321 . 114 LEU CB C 46.58 0.181 1 1322 . 114 LEU HB2 H 1.36 0.012 2 1323 . 114 LEU HB3 H 1.12 0.019 2 1324 . 114 LEU CG C 27.68 0.000 1 1325 . 114 LEU HG H 1.24 0.014 1 1326 . 114 LEU HD2 H 0.33 0.014 1 1327 . 114 LEU HD1 H 0.06 0.018 1 1328 . 114 LEU CD1 C 23.76 0.134 1 1329 . 114 LEU CD2 C 25.43 0.082 1 1330 . 114 LEU C C 174.97 0.034 1 1331 . 115 THR N N 115.91 0.187 1 1332 . 115 THR H H 8.45 0.013 1 1333 . 115 THR CA C 61.49 0.000 1 1334 . 115 THR HA H 4.53 0.010 1 1335 . 115 THR CB C 71.07 0.109 1 1336 . 115 THR HB H 3.58 0.009 1 1337 . 115 THR HG2 H -0.33 0.010 1 1338 . 115 THR CG2 C 17.09 0.166 1 1339 . 115 THR C C 180.88 0.022 1 1340 . 116 TYR N N 128.22 0.142 1 1341 . 116 TYR H H 8.69 0.004 1 1342 . 116 TYR CA C 58.28 0.000 1 1343 . 116 TYR HA H 4.60 0.017 1 1344 . 116 TYR CB C 38.78 0.000 1 1345 . 116 TYR HB2 H 2.77 0.017 2 1346 . 116 TYR HB3 H 2.63 0.023 2 1347 . 116 TYR HD1 H 6.82 0.006 1 1348 . 116 TYR HD2 H 6.82 0.006 1 1349 . 116 TYR HE1 H 6.69 0.007 1 1350 . 116 TYR HE2 H 6.69 0.007 1 1351 . 116 TYR C C 176.00 0.010 1 1352 . 117 ALA N N 127.52 0.163 1 1353 . 117 ALA H H 8.56 0.007 1 1354 . 117 ALA CA C 50.97 0.000 1 1355 . 117 ALA HA H 4.58 0.011 1 1356 . 117 ALA HB H 1.20 0.008 1 1357 . 117 ALA CB C 22.29 0.098 1 1358 . 117 ALA C C 173.65 0.007 1 1359 . 118 ASP N N 124.83 0.146 1 1360 . 118 ASP H H 8.72 0.006 1 1361 . 118 ASP CA C 53.50 0.000 1 1362 . 118 ASP HA H 4.83 0.012 1 1363 . 118 ASP CB C 42.41 0.049 1 1364 . 118 ASP HB2 H 2.88 0.012 2 1365 . 118 ASP HB3 H 2.73 0.012 2 1366 . 118 ASP C C 174.36 0.017 1 1367 . 119 ASN N N 119.20 0.225 1 1368 . 119 ASN H H 8.87 0.010 1 1369 . 119 ASN CA C 56.63 0.000 1 1370 . 119 ASN HA H 4.43 0.010 1 1371 . 119 ASN CB C 38.01 0.016 1 1372 . 119 ASN HB2 H 2.83 0.008 1 1373 . 119 ASN HB3 H 2.83 0.008 1 1374 . 119 ASN ND2 N 113.68 0.000 1 1375 . 119 ASN HD21 H 7.59 0.008 1 1376 . 119 ASN HD22 H 6.92 0.008 1 1377 . 119 ASN C C 173.56 0.005 1 1378 . 120 PHE N N 117.92 0.186 1 1379 . 120 PHE H H 8.34 0.007 1 1380 . 120 PHE CA C 59.49 0.000 1 1381 . 120 PHE HA H 4.67 0.009 1 1382 . 120 PHE CB C 38.70 0.078 1 1383 . 120 PHE HB2 H 3.43 0.007 2 1384 . 120 PHE HB3 H 3.37 0.012 2 1385 . 120 PHE HD1 H 7.48 0.006 1 1386 . 120 PHE HD2 H 7.48 0.006 1 1387 . 120 PHE HE1 H 7.52 0.003 1 1388 . 120 PHE HE2 H 7.52 0.003 1 1389 . 120 PHE HZ H 7.43 0.004 1 1390 . 120 PHE C C 174.69 0.016 1 1391 . 121 ALA N N 122.84 0.215 1 1392 . 121 ALA H H 8.02 0.003 1 1393 . 121 ALA CA C 52.88 0.000 1 1394 . 121 ALA HA H 4.60 0.009 1 1395 . 121 ALA HB H 1.65 0.012 1 1396 . 121 ALA CB C 21.22 0.003 1 1397 . 121 ALA C C 172.81 0.025 1 1398 . 122 ILE N N 120.66 0.202 1 1399 . 122 ILE H H 7.64 0.005 1 1400 . 122 ILE CA C 66.51 0.073 1 1401 . 122 ILE HA H 3.69 0.011 1 1402 . 122 ILE CB C 38.74 0.000 1 1403 . 122 ILE HB H 1.93 0.011 1 1404 . 122 ILE HG2 H 1.01 0.008 1 1405 . 122 ILE CG2 C 16.58 0.078 1 1406 . 122 ILE CG1 C 29.09 0.149 1 1407 . 122 ILE HG12 H 1.93 0.004 2 1408 . 122 ILE HG13 H 1.24 0.013 2 1409 . 122 ILE HD1 H 1.01 0.007 1 1410 . 122 ILE CD1 C 13.98 0.124 1 1411 . 122 ILE C C 173.80 0.001 1 1412 . 123 GLY N N 106.80 0.191 1 1413 . 123 GLY H H 8.73 0.010 1 1414 . 123 GLY CA C 47.45 0.076 1 1415 . 123 GLY HA2 H 4.14 0.009 2 1416 . 123 GLY HA3 H 3.83 0.011 2 1417 . 123 GLY C C 174.41 0.008 1 1418 . 124 TYR N N 123.12 0.213 1 1419 . 124 TYR H H 7.51 0.011 1 1420 . 124 TYR CA C 61.62 0.000 1 1421 . 124 TYR HA H 3.56 0.011 1 1422 . 124 TYR CB C 37.26 0.026 1 1423 . 124 TYR HB2 H 2.38 0.011 2 1424 . 124 TYR HB3 H 2.12 0.012 2 1425 . 124 TYR C C 173.88 0.000 1 1426 . 125 PHE N N 117.36 0.130 1 1427 . 125 PHE H H 7.63 0.014 1 1428 . 125 PHE CA C 63.54 0.000 1 1429 . 125 PHE HA H 3.61 0.012 1 1430 . 125 PHE CB C 37.19 0.000 1 1431 . 125 PHE HB2 H 2.59 0.003 2 1432 . 125 PHE HB3 H 2.46 0.006 2 1433 . 125 PHE HD1 H 6.38 0.003 1 1434 . 125 PHE HD2 H 6.38 0.003 1 1435 . 125 PHE HE1 H 6.95 0.004 1 1436 . 125 PHE HE2 H 6.95 0.004 1 1437 . 125 PHE HZ H 7.03 0.003 1 1438 . 125 PHE C C 171.32 0.025 1 1439 . 126 LYS N N 122.84 0.159 1 1440 . 126 LYS H H 8.92 0.006 1 1441 . 126 LYS CA C 59.84 0.000 1 1442 . 126 LYS HA H 4.72 0.009 1 1443 . 126 LYS CB C 32.26 0.041 1 1444 . 126 LYS HB2 H 1.99 0.012 2 1445 . 126 LYS HB3 H 1.93 0.011 2 1446 . 126 LYS CG C 25.79 0.155 1 1447 . 126 LYS HG2 H 1.75 0.005 2 1448 . 126 LYS HG3 H 1.51 0.009 2 1449 . 126 LYS CD C 29.50 0.032 1 1450 . 126 LYS HD2 H 1.83 0.007 2 1451 . 126 LYS HD3 H 1.74 0.012 2 1452 . 126 LYS HE2 H 3.02 0.008 1 1453 . 126 LYS HE3 H 3.02 0.008 1 1454 . 126 LYS C C 170.15 0.013 1 1455 . 127 LYS N N 122.25 0.156 1 1456 . 127 LYS H H 7.41 0.010 1 1457 . 127 LYS CA C 59.08 0.001 1 1458 . 127 LYS HA H 4.12 0.007 1 1459 . 127 LYS CB C 32.06 0.089 1 1460 . 127 LYS HB2 H 1.88 0.008 1 1461 . 127 LYS HB3 H 1.88 0.008 1 1462 . 127 LYS CG C 25.61 0.127 1 1463 . 127 LYS HG2 H 1.66 0.007 2 1464 . 127 LYS HG3 H 1.48 0.009 2 1465 . 127 LYS CD C 29.22 0.000 1 1466 . 127 LYS CE C 41.87 0.000 1 1467 . 127 LYS HE2 H 3.17 0.000 1 1468 . 127 LYS HE3 H 3.17 0.000 1 1469 . 127 LYS C C 173.60 0.006 1 1470 . 128 GLN N N 114.43 0.193 1 1471 . 128 GLN H H 7.24 0.008 1 1472 . 128 GLN CA C 52.94 0.000 1 1473 . 128 GLN HA H 4.56 0.009 1 1474 . 128 GLN CB C 27.06 0.000 1 1475 . 128 GLN HB2 H 1.86 0.009 1 1476 . 128 GLN HB3 H 1.86 0.009 1 1477 . 128 GLN CG C 31.24 0.000 1 1478 . 128 GLN HG2 H 1.86 0.000 2 1479 . 128 GLN HG3 H 1.64 0.009 2 1480 . 128 GLN NE2 N 112.17 0.000 1 1481 . 128 GLN HE21 H 6.82 0.005 1 1482 . 128 GLN HE22 H 5.18 0.006 1 1483 . 128 GLN C C 175.14 0.007 1 1484 . 129 GLY N N 107.47 0.155 1 1485 . 129 GLY H H 7.82 0.008 1 1486 . 129 GLY CA C 45.97 0.072 1 1487 . 129 GLY HA2 H 4.38 0.007 2 1488 . 129 GLY HA3 H 3.85 0.008 2 1489 . 129 GLY C C 176.09 0.003 1 1490 . 130 PHE N N 120.28 0.162 1 1491 . 130 PHE H H 8.43 0.010 1 1492 . 130 PHE CA C 57.00 0.000 1 1493 . 130 PHE HA H 5.04 0.011 1 1494 . 130 PHE CB C 40.06 0.000 1 1495 . 130 PHE HB2 H 2.93 0.003 2 1496 . 130 PHE HB3 H 2.62 0.001 2 1497 . 130 PHE C C 174.94 0.012 1 1498 . 131 THR N N 112.93 0.122 1 1499 . 131 THR H H 9.53 0.004 1 1500 . 131 THR CA C 59.40 0.000 1 1501 . 131 THR HA H 4.93 0.006 1 1502 . 131 THR CB C 71.08 0.107 1 1503 . 131 THR HB H 4.47 0.006 1 1504 . 131 THR HG2 H 1.30 0.012 1 1505 . 131 THR CG2 C 20.82 0.055 1 1506 . 131 THR C C 177.13 0.010 1 1507 . 132 LYS N N 123.25 0.140 1 1508 . 132 LYS H H 8.83 0.007 1 1509 . 132 LYS CA C 57.62 0.000 1 1510 . 132 LYS HA H 4.50 0.011 1 1511 . 132 LYS CB C 32.80 0.101 1 1512 . 132 LYS HB2 H 1.89 0.010 2 1513 . 132 LYS HB3 H 1.83 0.006 2 1514 . 132 LYS CG C 25.20 0.000 1 1515 . 132 LYS HG2 H 1.49 0.014 2 1516 . 132 LYS HG3 H 1.42 0.013 2 1517 . 132 LYS CD C 29.60 0.000 1 1518 . 132 LYS HD2 H 1.75 0.002 1 1519 . 132 LYS HD3 H 1.75 0.002 1 1520 . 132 LYS HE2 H 3.02 0.007 1 1521 . 132 LYS HE3 H 3.02 0.007 1 1522 . 132 LYS C C 173.98 0.005 1 1523 . 133 GLU N N 121.35 0.171 1 1524 . 133 GLU H H 8.18 0.004 1 1525 . 133 GLU CA C 56.29 0.000 1 1526 . 133 GLU HA H 4.14 0.006 1 1527 . 133 GLU CB C 29.15 0.324 1 1528 . 133 GLU HB2 H 1.92 0.007 1 1529 . 133 GLU HB3 H 1.92 0.007 1 1530 . 133 GLU CG C 36.32 0.047 1 1531 . 133 GLU HG2 H 2.23 0.011 1 1532 . 133 GLU HG3 H 2.23 0.011 1 1533 . 133 GLU C C 175.64 0.000 1 1534 . 134 HIS N N 120.78 0.179 1 1535 . 134 HIS H H 8.16 0.054 1 1536 . 134 HIS CA C 54.60 0.000 1 1537 . 134 HIS HA H 4.67 0.019 1 1538 . 134 HIS CB C 30.26 0.000 1 1539 . 134 HIS HB2 H 3.15 0.006 2 1540 . 134 HIS HB3 H 3.11 0.003 2 1541 . 134 HIS HD2 H 7.06 0.009 1 1542 . 134 HIS HE1 H 6.89 0.001 1 1543 . 134 HIS C C 176.05 0.000 1 1544 . 135 ARG CA C 56.63 0.000 1 1545 . 135 ARG HA H 4.30 0.007 1 1546 . 135 ARG CB C 31.85 0.129 1 1547 . 135 ARG HB2 H 1.87 0.009 1 1548 . 135 ARG HB3 H 1.87 0.009 1 1549 . 135 ARG CG C 27.45 0.076 1 1550 . 135 ARG HG2 H 1.64 0.006 1 1551 . 135 ARG HG3 H 1.64 0.006 1 1552 . 135 ARG CD C 43.36 0.020 1 1553 . 135 ARG HD2 H 3.08 0.006 1 1554 . 135 ARG HD3 H 3.08 0.006 1 1555 . 136 MET N N 126.18 0.097 1 1556 . 136 MET H H 9.24 0.006 1 1557 . 136 MET HA H 4.04 0.000 1 1558 . 136 MET HE H 1.44 0.007 1 1559 . 136 MET CE C 17.71 0.000 1 1560 . 137 PRO CD C 51.31 0.088 1 1561 . 137 PRO CA C 63.64 0.000 1 1562 . 137 PRO HA H 4.35 0.006 1 1563 . 137 PRO CB C 32.44 0.090 1 1564 . 137 PRO HB2 H 2.42 0.003 2 1565 . 137 PRO HB3 H 1.88 0.009 2 1566 . 137 PRO CG C 27.97 0.182 1 1567 . 137 PRO HG2 H 2.07 0.005 1 1568 . 137 PRO HG3 H 2.07 0.005 1 1569 . 137 PRO HD2 H 3.99 0.008 2 1570 . 137 PRO HD3 H 3.45 0.006 2 1571 . 137 PRO C C 173.46 0.000 1 1572 . 138 GLN N N 124.01 0.140 1 1573 . 138 GLN H H 8.47 0.008 1 1574 . 138 GLN CA C 57.92 0.000 1 1575 . 138 GLN HA H 3.22 0.015 1 1576 . 138 GLN CB C 28.23 0.000 1 1577 . 138 GLN HB2 H 1.72 0.012 1 1578 . 138 GLN HB3 H 1.72 0.012 1 1579 . 138 GLN CG C 33.70 0.086 1 1580 . 138 GLN HG2 H 2.04 0.014 1 1581 . 138 GLN HG3 H 2.04 0.014 1 1582 . 138 GLN NE2 N 112.42 0.021 1 1583 . 138 GLN HE21 H 7.34 0.003 1 1584 . 138 GLN HE22 H 6.79 0.005 1 1585 . 138 GLN C C 174.28 0.014 1 1586 . 139 GLU N N 117.46 0.293 1 1587 . 139 GLU H H 8.87 0.008 1 1588 . 139 GLU CA C 58.36 0.000 1 1589 . 139 GLU HA H 3.82 0.011 1 1590 . 139 GLU CB C 28.60 0.000 1 1591 . 139 GLU HB2 H 1.93 0.009 1 1592 . 139 GLU HB3 H 1.93 0.009 1 1593 . 139 GLU CG C 36.10 0.105 1 1594 . 139 GLU HG2 H 2.19 0.010 1 1595 . 139 GLU HG3 H 2.19 0.010 1 1596 . 139 GLU C C 173.10 0.012 1 1597 . 140 LYS N N 118.38 0.146 1 1598 . 140 LYS H H 7.61 0.010 1 1599 . 140 LYS CA C 57.91 0.000 1 1600 . 140 LYS HA H 4.15 0.010 1 1601 . 140 LYS CB C 33.15 0.139 1 1602 . 140 LYS HB2 H 1.79 0.010 1 1603 . 140 LYS HB3 H 1.79 0.010 1 1604 . 140 LYS CG C 25.99 0.085 1 1605 . 140 LYS HG2 H 1.53 0.011 2 1606 . 140 LYS HG3 H 1.43 0.011 2 1607 . 140 LYS CD C 28.80 0.000 1 1608 . 140 LYS C C 175.32 0.000 1 1609 . 141 TRP N N 112.07 0.129 1 1610 . 141 TRP H H 6.70 0.010 1 1611 . 141 TRP CA C 56.21 0.000 1 1612 . 141 TRP HA H 4.72 0.007 1 1613 . 141 TRP CB C 30.82 0.000 1 1614 . 141 TRP NE1 N 130.19 0.000 1 1615 . 141 TRP HD1 H 6.69 0.016 1 1616 . 141 TRP HE1 H 9.94 0.012 1 1617 . 141 TRP C C 173.63 0.000 1 1618 . 142 LYS N N 125.95 0.075 1 1619 . 142 LYS H H 7.45 0.010 1 1620 . 142 LYS CA C 58.98 0.000 1 1621 . 142 LYS HA H 3.91 0.009 1 1622 . 142 LYS CB C 31.70 0.088 1 1623 . 142 LYS HB2 H 1.47 0.011 2 1624 . 142 LYS HB3 H 1.25 0.011 2 1625 . 142 LYS CG C 24.47 0.155 1 1626 . 142 LYS HG2 H 1.06 0.010 1 1627 . 142 LYS HG3 H 1.06 0.010 1 1628 . 142 LYS CD C 29.09 0.131 1 1629 . 142 LYS HD2 H 1.45 0.005 1 1630 . 142 LYS HD3 H 1.45 0.005 1 1631 . 142 LYS CE C 41.88 0.000 1 1632 . 142 LYS HE2 H 2.80 0.005 1 1633 . 142 LYS HE3 H 2.80 0.005 1 1634 . 142 LYS C C 173.65 0.000 1 1635 . 143 GLY N N 112.46 0.126 1 1636 . 143 GLY H H 8.83 0.022 1 1637 . 143 GLY CA C 45.21 0.027 1 1638 . 143 GLY HA2 H 3.89 0.005 2 1639 . 143 GLY HA3 H 3.68 0.011 2 1640 . 143 GLY C C 176.81 0.010 1 1641 . 144 TYR N N 119.70 0.178 1 1642 . 144 TYR H H 8.02 0.008 1 1643 . 144 TYR CA C 59.75 0.000 1 1644 . 144 TYR HA H 4.48 0.010 1 1645 . 144 TYR CB C 39.81 0.050 1 1646 . 144 TYR HB2 H 2.87 0.014 1 1647 . 144 TYR HB3 H 2.87 0.014 1 1648 . 144 TYR HD1 H 6.99 0.008 1 1649 . 144 TYR HD2 H 6.99 0.008 1 1650 . 144 TYR HE1 H 6.82 0.004 1 1651 . 144 TYR HE2 H 6.82 0.004 1 1652 . 144 TYR C C 175.42 0.000 1 1653 . 145 ILE N N 117.31 0.060 1 1654 . 145 ILE H H 7.33 0.004 1 1655 . 145 ILE CA C 59.95 0.000 1 1656 . 145 ILE HA H 4.50 0.008 1 1657 . 145 ILE CB C 39.59 0.155 1 1658 . 145 ILE HB H 2.01 0.007 1 1659 . 145 ILE HG2 H 0.92 0.011 1 1660 . 145 ILE CG2 C 17.71 0.017 1 1661 . 145 ILE CG1 C 26.71 0.143 1 1662 . 145 ILE HG12 H 1.50 0.008 2 1663 . 145 ILE HG13 H 1.33 0.009 2 1664 . 145 ILE HD1 H 0.62 0.014 1 1665 . 145 ILE CD1 C 13.41 0.188 1 1666 . 145 ILE C C 175.92 0.000 1 1667 . 146 LYS N N 126.67 0.200 1 1668 . 146 LYS H H 8.64 0.012 1 1669 . 146 LYS CA C 55.92 0.000 1 1670 . 146 LYS HA H 4.36 0.007 1 1671 . 146 LYS CB C 33.50 0.137 1 1672 . 146 LYS HB2 H 1.75 0.008 1 1673 . 146 LYS HB3 H 1.75 0.008 1 1674 . 146 LYS CG C 24.61 0.263 1 1675 . 146 LYS HG2 H 1.39 0.009 1 1676 . 146 LYS HG3 H 1.39 0.009 1 1677 . 146 LYS CD C 28.93 0.067 1 1678 . 146 LYS HD2 H 1.65 0.005 1 1679 . 146 LYS HD3 H 1.65 0.005 1 1680 . 146 LYS CE C 41.97 0.000 1 1681 . 146 LYS C C 175.52 0.003 1 1682 . 147 ASP N N 123.26 0.154 1 1683 . 147 ASP H H 8.33 0.005 1 1684 . 147 ASP CA C 54.45 0.041 1 1685 . 147 ASP HA H 4.24 0.018 1 1686 . 147 ASP CB C 41.30 0.041 1 1687 . 147 ASP HB2 H 2.40 0.022 2 1688 . 147 ASP HB3 H 2.38 0.007 2 1689 . 147 ASP C C 175.80 0.015 1 1690 . 148 TYR N N 122.32 0.118 1 1691 . 148 TYR H H 7.39 0.015 1 1692 . 148 TYR CA C 57.62 0.000 1 1693 . 148 TYR HA H 4.45 0.012 1 1694 . 148 TYR CB C 39.65 0.048 1 1695 . 148 TYR HB2 H 2.64 0.004 2 1696 . 148 TYR HB3 H 2.44 0.017 2 1697 . 148 TYR HD1 H 6.81 0.004 1 1698 . 148 TYR HD2 H 6.81 0.004 1 1699 . 148 TYR HE1 H 6.66 0.004 1 1700 . 148 TYR HE2 H 6.66 0.004 1 1701 . 148 TYR C C 176.01 0.021 1 1702 . 149 ASP N N 124.31 0.134 1 1703 . 149 ASP H H 8.22 0.008 1 1704 . 149 ASP CA C 54.62 0.002 1 1705 . 149 ASP HA H 4.48 0.014 1 1706 . 149 ASP CB C 41.28 0.081 1 1707 . 149 ASP HB2 H 2.53 0.002 2 1708 . 149 ASP HB3 H 2.49 0.008 2 1709 . 149 ASP C C 174.81 0.018 1 1710 . 150 GLY N N 110.44 0.157 1 1711 . 150 GLY H H 7.77 0.009 1 1712 . 150 GLY CA C 45.56 0.127 1 1713 . 150 GLY HA2 H 3.88 0.002 1 1714 . 150 GLY HA3 H 3.88 0.002 1 1715 . 150 GLY C C 176.65 0.019 1 1716 . 151 GLY N N 108.74 0.131 1 1717 . 151 GLY H H 8.01 0.006 1 1718 . 151 GLY CA C 44.64 0.007 1 1719 . 151 GLY HA2 H 4.22 0.009 2 1720 . 151 GLY HA3 H 3.60 0.010 2 1721 . 151 GLY C C 178.15 0.019 1 1722 . 152 THR N N 118.66 0.186 1 1723 . 152 THR H H 8.66 0.009 1 1724 . 152 THR CA C 62.17 0.000 1 1725 . 152 THR HA H 4.50 0.007 1 1726 . 152 THR CB C 71.03 0.024 1 1727 . 152 THR HB H 3.94 0.007 1 1728 . 152 THR HG2 H 1.18 0.008 1 1729 . 152 THR CG2 C 21.12 0.168 1 1730 . 152 THR C C 177.49 0.011 1 1731 . 153 LEU N N 131.66 0.170 1 1732 . 153 LEU H H 8.90 0.008 1 1733 . 153 LEU CA C 55.34 0.000 1 1734 . 153 LEU HA H 4.12 0.012 1 1735 . 153 LEU CB C 40.92 0.105 1 1736 . 153 LEU HB2 H 1.63 0.009 2 1737 . 153 LEU HB3 H 1.06 0.017 2 1738 . 153 LEU CG C 26.57 0.000 1 1739 . 153 LEU HG H 0.82 0.016 1 1740 . 153 LEU HD2 H 0.01 0.021 1 1741 . 153 LEU HD1 H -0.06 0.023 1 1742 . 153 LEU CD1 C 25.57 0.146 1 1743 . 153 LEU CD2 C 22.10 0.104 1 1744 . 153 LEU C C 175.15 0.003 1 1745 . 154 MET N N 127.71 0.128 1 1746 . 154 MET H H 9.24 0.005 1 1747 . 154 MET CA C 54.16 0.000 1 1748 . 154 MET HA H 5.09 0.012 1 1749 . 154 MET CB C 38.00 0.000 1 1750 . 154 MET HB2 H 2.02 0.013 2 1751 . 154 MET HB3 H 1.48 0.012 2 1752 . 154 MET CG C 32.81 0.086 1 1753 . 154 MET HG2 H 2.44 0.008 2 1754 . 154 MET HG3 H 2.09 0.009 2 1755 . 154 MET HE H 1.83 0.007 1 1756 . 154 MET CE C 17.35 0.000 1 1757 . 154 MET C C 177.15 0.005 1 1758 . 155 GLU N N 121.29 0.057 1 1759 . 155 GLU H H 8.95 0.019 1 1760 . 155 GLU CA C 54.05 0.000 1 1761 . 155 GLU HA H 5.65 0.012 1 1762 . 155 GLU CB C 36.34 0.000 1 1763 . 155 GLU HB2 H 1.98 0.008 2 1764 . 155 GLU HB3 H 1.77 0.012 2 1765 . 155 GLU CG C 37.83 0.000 1 1766 . 155 GLU C C 176.19 0.006 1 1767 . 156 CYS N N 126.24 0.084 1 1768 . 156 CYS H H 9.12 0.006 1 1769 . 156 CYS CA C 57.23 0.000 1 1770 . 156 CYS HA H 4.67 0.005 1 1771 . 156 CYS CB C 28.03 0.033 1 1772 . 156 CYS HB2 H 1.59 0.009 2 1773 . 156 CYS HB3 H 0.32 0.015 2 1774 . 156 CYS C C 177.94 0.012 1 1775 . 157 TYR N N 132.19 0.173 1 1776 . 157 TYR H H 8.80 0.007 1 1777 . 157 TYR CA C 56.67 0.000 1 1778 . 157 TYR HA H 4.72 0.008 1 1779 . 157 TYR CB C 39.45 0.065 1 1780 . 157 TYR HB2 H 2.98 0.017 2 1781 . 157 TYR HB3 H 2.75 0.022 2 1782 . 157 TYR HD1 H 6.46 0.000 1 1783 . 157 TYR HD2 H 6.46 0.000 1 1784 . 157 TYR HE1 H 7.23 0.003 1 1785 . 157 TYR HE2 H 7.23 0.003 1 1786 . 157 TYR C C 176.83 0.012 1 1787 . 158 ILE N N 131.63 0.065 1 1788 . 158 ILE H H 8.16 0.013 1 1789 . 158 ILE CA C 58.43 0.000 1 1790 . 158 ILE HA H 3.74 0.012 1 1791 . 158 ILE CB C 35.98 0.000 1 1792 . 158 ILE HB H 1.65 0.011 1 1793 . 158 ILE HG2 H 0.48 0.010 1 1794 . 158 ILE CG2 C 17.16 0.000 1 1795 . 158 ILE HD1 H 0.26 0.011 1 1796 . 158 ILE CD1 C 11.07 0.000 1 1797 . 158 ILE C C 177.56 0.000 1 1798 . 160 PRO CD C 51.10 0.000 1 1799 . 160 PRO CA C 64.18 0.000 1 1800 . 160 PRO HA H 4.17 0.008 1 1801 . 160 PRO CB C 32.06 0.103 1 1802 . 160 PRO HB2 H 2.08 0.009 2 1803 . 160 PRO HB3 H 1.27 0.016 2 1804 . 160 PRO CG C 27.09 0.078 1 1805 . 160 PRO HG2 H 1.83 0.012 2 1806 . 160 PRO HG3 H 1.62 0.017 2 1807 . 160 PRO HD2 H 3.67 0.009 2 1808 . 160 PRO HD3 H 3.14 0.013 2 1809 . 160 PRO C C 174.02 0.000 1 1810 . 161 TYR N N 117.42 0.294 1 1811 . 161 TYR H H 9.00 0.053 1 1812 . 161 TYR CA C 57.14 0.108 1 1813 . 161 TYR HA H 4.79 0.009 1 1814 . 161 TYR CB C 38.90 0.057 1 1815 . 161 TYR HB2 H 3.29 0.011 2 1816 . 161 TYR HB3 H 2.86 0.012 2 1817 . 161 TYR HD1 H 7.12 0.009 1 1818 . 161 TYR HD2 H 7.12 0.009 1 1819 . 161 TYR HE1 H 7.86 0.000 1 1820 . 161 TYR HE2 H 7.86 0.000 1 1821 . 161 TYR C C 175.27 0.010 1 1822 . 162 VAL N N 123.07 0.121 1 1823 . 162 VAL H H 6.89 0.025 1 1824 . 162 VAL CA C 62.04 0.111 1 1825 . 162 VAL HA H 3.71 0.010 1 1826 . 162 VAL CB C 33.89 0.104 1 1827 . 162 VAL HB H 1.43 0.014 1 1828 . 162 VAL HG2 H 0.55 0.012 1 1829 . 162 VAL HG1 H 0.08 0.018 1 1830 . 162 VAL CG1 C 22.30 0.077 1 1831 . 162 VAL CG2 C 20.40 0.158 1 1832 . 162 VAL C C 176.92 0.026 1 1833 . 163 ASP N N 125.08 0.173 1 1834 . 163 ASP H H 8.12 0.008 1 1835 . 163 ASP CA C 52.98 0.036 1 1836 . 163 ASP HA H 4.75 0.006 1 1837 . 163 ASP CB C 40.73 0.078 1 1838 . 163 ASP HB2 H 2.75 0.013 2 1839 . 163 ASP HB3 H 2.49 0.010 2 1840 . 163 ASP C C 174.72 0.027 1 1841 . 164 TYR N N 127.39 0.081 1 1842 . 164 TYR H H 9.40 0.047 1 1843 . 164 TYR CA C 59.97 0.095 1 1844 . 164 TYR HA H 4.35 0.009 1 1845 . 164 TYR CB C 38.91 0.050 1 1846 . 164 TYR HB2 H 3.35 0.009 2 1847 . 164 TYR HB3 H 2.56 0.013 2 1848 . 164 TYR HD1 H 7.02 0.004 1 1849 . 164 TYR HD2 H 7.02 0.004 1 1850 . 164 TYR HE1 H 6.84 0.005 1 1851 . 164 TYR HE2 H 6.84 0.005 1 1852 . 164 TYR C C 174.47 0.003 1 1853 . 165 GLY N N 108.52 0.225 1 1854 . 165 GLY H H 8.38 0.007 1 1855 . 165 GLY CA C 45.69 0.102 1 1856 . 165 GLY HA2 H 3.84 0.010 1 1857 . 165 GLY HA3 H 3.84 0.010 1 1858 . 165 GLY C C 177.79 0.009 1 1859 . 166 ASN N N 124.66 0.187 1 1860 . 166 ASN H H 7.70 0.018 1 1861 . 166 ASN CA C 54.89 0.000 1 1862 . 166 ASN HA H 4.49 0.009 1 1863 . 166 ASN CB C 40.77 0.000 1 1864 . 166 ASN HB2 H 2.74 0.010 2 1865 . 166 ASN HB3 H 2.65 0.002 2 1866 . 166 ASN ND2 N 114.48 0.003 1 1867 . 166 ASN HD21 H 7.70 0.006 1 1868 . 166 ASN HD22 H 6.75 0.006 1 stop_ save_