data_4775 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the spindle assembly checkpoint protein human MAD2 ; _BMRB_accession_number 4775 _BMRB_flat_file_name bmr4775.str _Entry_type original _Submission_date 2000-07-03 _Accession_date 2000-07-05 _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 Luo X. . . 2 Fang G. . . 3 Coldiron M. . . 4 Lin Y. . . 5 Yu H. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 986 "13C chemical shifts" 601 "15N chemical shifts" 192 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2000-08-04 original author . stop_ _Original_release_date 2000-08-04 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Structure of the Mad2 spindle assembly checkpoint protein and its interaction with Cdc20 ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code 20165182 _PubMed_ID 10700282 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Luo X. . . 2 Fang G. . . 3 Coldiron M. . . 4 Lin Y. . . 5 Yu H. . . 6 Kirschner M. W. . 7 Wagner G. . . stop_ _Journal_abbreviation 'Nat. Struct. Biol.' _Journal_volume 7 _Journal_issue 3 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 224 _Page_last 229 _Year 2000 _Details . loop_ _Keyword Mad2 'spindle assembly checkpoint' stop_ save_ ################################## # Molecular system description # ################################## save_cell_cycle _Saveframe_category molecular_system _Mol_system_name 'SPINDLE ASSEMBLY CHECKPOINT PROTEIN MAD2' _Abbreviation_common MAD2 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label MAD2 $Mad2 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'all free' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_Mad2 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'SPINDLE ASSEMBLY CHECKPOINT PROTEIN' _Abbreviation_common Mad2 _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 187 _Mol_residue_sequence ; GSITLRGSAEIVAEFFSFGI NSILYQRGIYPSETFTRVQK YGLTLLVTTDLELIKYLNNV VEQLKDWLYKCSVQKLVVVI SNIESGEVLERWQFDIECDK TAKDDSAPREKSQKAIQDEI RSVIRQITATVTFLPLLEVS CSFDLLIYTDKDLVVPEKWE ESGPQFITNSEEVRLRSFTT TIHKVNS ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 11 GLY 2 12 SER 3 13 ILE 4 14 THR 5 15 LEU 6 16 ARG 7 17 GLY 8 18 SER 9 19 ALA 10 20 GLU 11 21 ILE 12 22 VAL 13 23 ALA 14 24 GLU 15 25 PHE 16 26 PHE 17 27 SER 18 28 PHE 19 29 GLY 20 30 ILE 21 31 ASN 22 32 SER 23 33 ILE 24 34 LEU 25 35 TYR 26 36 GLN 27 37 ARG 28 38 GLY 29 39 ILE 30 40 TYR 31 41 PRO 32 42 SER 33 43 GLU 34 44 THR 35 45 PHE 36 46 THR 37 47 ARG 38 48 VAL 39 49 GLN 40 50 LYS 41 51 TYR 42 52 GLY 43 53 LEU 44 54 THR 45 55 LEU 46 56 LEU 47 57 VAL 48 58 THR 49 59 THR 50 60 ASP 51 61 LEU 52 62 GLU 53 63 LEU 54 64 ILE 55 65 LYS 56 66 TYR 57 67 LEU 58 68 ASN 59 69 ASN 60 70 VAL 61 71 VAL 62 72 GLU 63 73 GLN 64 74 LEU 65 75 LYS 66 76 ASP 67 77 TRP 68 78 LEU 69 79 TYR 70 80 LYS 71 81 CYS 72 82 SER 73 83 VAL 74 84 GLN 75 85 LYS 76 86 LEU 77 87 VAL 78 88 VAL 79 89 VAL 80 90 ILE 81 91 SER 82 92 ASN 83 93 ILE 84 94 GLU 85 95 SER 86 96 GLY 87 97 GLU 88 98 VAL 89 99 LEU 90 100 GLU 91 101 ARG 92 102 TRP 93 103 GLN 94 104 PHE 95 105 ASP 96 106 ILE 97 107 GLU 98 108 CYS 99 109 ASP 100 110 LYS 101 111 THR 102 112 ALA 103 113 LYS 104 114 ASP 105 115 ASP 106 116 SER 107 117 ALA 108 118 PRO 109 119 ARG 110 120 GLU 111 121 LYS 112 122 SER 113 123 GLN 114 124 LYS 115 125 ALA 116 126 ILE 117 127 GLN 118 128 ASP 119 129 GLU 120 130 ILE 121 131 ARG 122 132 SER 123 133 VAL 124 134 ILE 125 135 ARG 126 136 GLN 127 137 ILE 128 138 THR 129 139 ALA 130 140 THR 131 141 VAL 132 142 THR 133 143 PHE 134 144 LEU 135 145 PRO 136 146 LEU 137 147 LEU 138 148 GLU 139 149 VAL 140 150 SER 141 151 CYS 142 152 SER 143 153 PHE 144 154 ASP 145 155 LEU 146 156 LEU 147 157 ILE 148 158 TYR 149 159 THR 150 160 ASP 151 161 LYS 152 162 ASP 153 163 LEU 154 164 VAL 155 165 VAL 156 166 PRO 157 167 GLU 158 168 LYS 159 169 TRP 160 170 GLU 161 171 GLU 162 172 SER 163 173 GLY 164 174 PRO 165 175 GLN 166 176 PHE 167 177 ILE 168 178 THR 169 179 ASN 170 180 SER 171 181 GLU 172 182 GLU 173 183 VAL 174 184 ARG 175 185 LEU 176 186 ARG 177 187 SER 178 188 PHE 179 189 THR 180 190 THR 181 191 THR 182 192 ILE 183 193 HIS 184 194 LYS 185 195 VAL 186 196 ASN 187 197 SER stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-29 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 1DUJ "Solution Structure Of The Spindle Assembly Checkpoint Protein Human Mad2" 100.00 187 100.00 100.00 1.73e-131 PDB 1GO4 "Crystal Structure Of Mad1-Mad2 Reveals A Conserved Mad2 Binding Motif In Mad1 And Cdc20" 99.47 205 98.92 98.92 3.58e-129 PDB 1KLQ "The Mad2 Spindle Checkpoint Protein Undergoes Similar Major Conformational Changes Upon Binding To Either Mad1 Or Cdc20" 100.00 197 100.00 100.00 1.41e-131 PDB 1S2H "The Mad2 Spindle Checkpoint Protein Possesses Two Distinct Natively Folded States" 99.47 206 98.92 98.92 4.66e-129 PDB 2QYF "Crystal Structure Of The Mad2/p31(comet)/mad2-binding Peptide Ternary Complex" 99.47 206 98.92 98.92 4.66e-129 PDB 2V64 "Crystallographic Structure Of The Conformational Dimer Of The Spindle Assembly Checkpoint Protein Mad2" 99.47 213 99.46 99.46 2.67e-130 PDB 2VFX "Structure Of The Symmetric Mad2 Dimer" 99.47 206 97.85 97.85 7.67e-127 PDB 3GMH "Crystal Structure Of The Mad2 Dimer" 100.00 207 100.00 100.00 7.63e-132 DBJ BAB63410 "MAD2 [Homo sapiens]" 99.47 205 99.46 99.46 4.15e-130 DBJ BAD97153 "MAD2-like 1 variant [Homo sapiens]" 99.47 205 98.92 98.92 4.45e-129 DBJ BAE01009 "unnamed protein product [Macaca fascicularis]" 99.47 205 99.46 99.46 4.15e-130 DBJ BAG36562 "unnamed protein product [Homo sapiens]" 99.47 205 99.46 99.46 4.15e-130 DBJ BAI46856 "MAD2 mitotic arrest deficient-like protein 1 [synthetic construct]" 99.47 205 99.46 99.46 4.15e-130 EMBL CAA03943 "MAD2 [Homo sapiens]" 99.47 205 99.46 99.46 4.15e-130 GB AAC50781 "Mad2 [Homo sapiens]" 99.47 205 99.46 99.46 4.15e-130 GB AAC52060 "mitotic feedback control protein Madp2 homolog [Homo sapiens]" 99.47 205 99.46 99.46 4.15e-130 GB AAH00356 "MAD2 mitotic arrest deficient-like 1 (yeast) [Homo sapiens]" 99.47 205 99.46 99.46 4.15e-130 GB AAH05945 "MAD2 mitotic arrest deficient-like 1 (yeast) [Homo sapiens]" 99.47 205 99.46 99.46 4.15e-130 GB AAH70283 "MAD2 mitotic arrest deficient-like 1 (yeast) [Homo sapiens]" 99.47 205 98.92 99.46 8.63e-130 REF NP_001178442 "mitotic spindle assembly checkpoint protein MAD2A [Bos taurus]" 99.47 205 97.85 98.92 1.09e-127 REF NP_001182742 "mitotic spindle assembly checkpoint protein MAD2A [Macaca mulatta]" 99.47 205 99.46 99.46 4.15e-130 REF NP_001270194 "MAD2 mitotic arrest deficient-like 1 [Macaca fascicularis]" 99.47 205 99.46 99.46 4.15e-130 REF NP_002349 "mitotic spindle assembly checkpoint protein MAD2A [Homo sapiens]" 99.47 205 99.46 99.46 4.15e-130 REF XP_001084989 "PREDICTED: mitotic spindle assembly checkpoint protein MAD2A [Macaca mulatta]" 98.40 205 98.37 98.37 1.01e-126 SP Q13257 "RecName: Full=Mitotic spindle assembly checkpoint protein MAD2A; Short=HsMAD2; AltName: Full=Mitotic arrest deficient 2-like pr" 99.47 205 99.46 99.46 4.15e-130 TPG DAA28937 "TPA: MAD2 mitotic arrest deficient-like 1 [Bos taurus]" 99.47 205 97.85 98.92 1.09e-127 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $Mad2 Human 9606 Eukaryota Metazoa Homo sapiens 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 $Mad2 'recombinant technology' Bacteria Escherichia coli M15 plasmid PQE-30 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Mad2 1.2 mM '[U-15N; U-13C; U-2H]' 'sodium phosphate' 50 mM . KCl 300 mM . DTT 5 mM . NaN3 0.04 % . H2O 90 % . D2O 10 % . stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Mad2 1.4 mM '[U-15N; U-13C; U-60% 2H]' 'sodium phosphate' 50 mM . KCl 300 mM . DTT 5 mM . NaN3 0.04 % . H2O 90 % . D2O 10 % . stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Mad2 1.5 mM [U-15N] 'sodium phosphate' 50 mM . KCl 300 mM . DTT 5 mM . NaN3 0.04 % . H2O 90 % . D2O 10 % . stop_ save_ save_sample_4 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Mad2 1.6 mM '[U-10% 13C]' 'sodium phosphate' 50 mM . KCl 300 mM . DTT 5 mM . NaN3 0.04 % . H2O 90 % . D2O 10 % . stop_ save_ save_sample_5 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Mad2 1.2 mM . 'sodium phosphate' 50 mM . KCl 300 mM . DTT 5 mM . NaN3 0.04 % . D2O 100 % . stop_ save_ ############################ # Computer software used # ############################ save_X-PLOR _Saveframe_category software _Name X-PLOR _Version 3.1 loop_ _Task 'structure calculation' stop_ _Details Brunger save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 750 _Details . save_ save_NMR_spectrometer2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_15N-NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-NOESY' _Sample_label . save_ save_3D_13C-NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-NOESY' _Sample_label . save_ save_3D_HCCH_TOCSY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH TOCSY' _Sample_label . save_ save_3D_15N-TOCSY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-TOCSY' _Sample_label . save_ save_3D_H(CC)(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CC)(CO)NH' _Sample_label . save_ save_3D_(H)C(C)(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D (H)C(C)(CO)NH' _Sample_label . save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH TOCSY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-TOCSY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CC)(CO)NH' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D (H)C(C)(CO)NH' _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.8 0.1 n/a temperature 303 0.1 K 'ionic strength' 300 . mM pressure 1 . atm stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_ref _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 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_chemical_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_ref _Mol_system_component_name MAD2 _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 GLY H H 8.34 0.03 1 2 . 1 GLY HA2 H 3.91 0.03 2 3 . 1 GLY HA3 H 3.71 0.03 2 4 . 1 GLY C C 178.45 0.12 1 5 . 1 GLY CA C 44.74 0.12 1 6 . 1 GLY N N 110.25 0.15 1 7 . 2 SER H H 8.20 0.03 1 8 . 2 SER HA H 4.84 0.03 1 9 . 2 SER HB2 H 3.62 0.03 1 10 . 2 SER HB3 H 3.62 0.03 1 11 . 2 SER C C 178.45 0.12 1 12 . 2 SER CA C 57.43 0.12 1 13 . 2 SER CB C 64.17 0.12 1 14 . 2 SER N N 116.99 0.15 1 15 . 3 ILE H H 8.69 0.03 1 16 . 3 ILE HA H 4.41 0.03 1 17 . 3 ILE HB H 1.66 0.03 1 18 . 3 ILE HG12 H 1.61 0.03 1 19 . 3 ILE HG13 H 1.61 0.03 1 20 . 3 ILE HG2 H 1.09 0.03 1 21 . 3 ILE HD1 H 0.88 0.03 1 22 . 3 ILE C C 175.99 0.12 1 23 . 3 ILE CA C 60.01 0.12 1 24 . 3 ILE CB C 40.31 0.12 1 25 . 3 ILE CG2 C 18.75 0.12 1 26 . 3 ILE CD1 C 14.82 0.12 1 27 . 3 ILE N N 124.91 0.15 1 28 . 4 THR H H 9.01 0.03 1 29 . 4 THR HA H 4.79 0.03 1 30 . 4 THR HB H 3.99 0.03 1 31 . 4 THR HG2 H 1.08 0.03 1 32 . 4 THR C C 177.76 0.12 1 33 . 4 THR CA C 63.09 0.12 1 34 . 4 THR CB C 69.10 0.12 1 35 . 4 THR CG2 C 22.13 0.12 1 36 . 4 THR N N 124.93 0.15 1 37 . 5 LEU H H 9.22 0.03 1 38 . 5 LEU HA H 4.88 0.03 1 39 . 5 LEU HB2 H 2.13 0.03 1 40 . 5 LEU HB3 H 2.13 0.03 1 41 . 5 LEU HG H 1.34 0.03 1 42 . 5 LEU HD1 H 0.96 0.03 1 43 . 5 LEU HD2 H 1.13 0.03 1 44 . 5 LEU C C 178.31 0.12 1 45 . 5 LEU CA C 52.94 0.12 1 46 . 5 LEU CB C 42.77 0.12 1 47 . 5 LEU CD1 C 25.78 0.12 1 48 . 5 LEU CD2 C 24.38 0.12 1 49 . 5 LEU N N 127.01 0.15 1 50 . 6 ARG H H 9.03 0.03 1 51 . 6 ARG HA H 5.27 0.03 1 52 . 6 ARG HB2 H 1.73 0.03 1 53 . 6 ARG HB3 H 1.73 0.03 1 54 . 6 ARG HG2 H 1.57 0.03 1 55 . 6 ARG HG3 H 1.57 0.03 1 56 . 6 ARG HD2 H 3.15 0.03 1 57 . 6 ARG HD3 H 3.15 0.03 1 58 . 6 ARG C C 177.26 0.12 1 59 . 6 ARG CA C 53.32 0.12 1 60 . 6 ARG CB C 33.10 0.12 1 61 . 6 ARG N N 123.29 0.15 1 62 . 7 GLY H H 7.48 0.03 1 63 . 7 GLY HA2 H 4.24 0.03 2 64 . 7 GLY HA3 H 3.82 0.03 2 65 . 7 GLY C C 179.21 0.12 1 66 . 7 GLY CA C 43.82 0.12 1 67 . 7 GLY N N 106.38 0.15 1 68 . 8 SER H H 7.81 0.03 1 69 . 8 SER HA H 4.60 0.03 1 70 . 8 SER HB2 H 4.00 0.03 1 71 . 8 SER HB3 H 4.00 0.03 1 72 . 8 SER C C 177.52 0.12 1 73 . 8 SER CA C 57.24 0.12 1 74 . 8 SER CB C 64.34 0.12 1 75 . 8 SER N N 115.26 0.15 1 76 . 9 ALA H H 8.84 0.03 1 77 . 9 ALA HA H 3.78 0.03 1 78 . 9 ALA HB H 0.94 0.03 1 79 . 9 ALA C C 173.49 0.12 1 80 . 9 ALA CA C 55.51 0.12 1 81 . 9 ALA CB C 18.42 0.12 1 82 . 9 ALA N N 122.67 0.15 1 83 . 10 GLU H H 8.18 0.03 1 84 . 10 GLU HA H 3.72 0.03 1 85 . 10 GLU HB2 H 1.97 0.03 1 86 . 10 GLU HB3 H 1.97 0.03 1 87 . 10 GLU HG2 H 2.30 0.03 1 88 . 10 GLU HG3 H 2.30 0.03 1 89 . 10 GLU C C 173.45 0.12 1 90 . 10 GLU CA C 59.05 0.12 1 91 . 10 GLU CB C 28.67 0.12 1 92 . 10 GLU N N 112.21 0.15 1 93 . 11 ILE H H 7.05 0.03 1 94 . 11 ILE HA H 3.68 0.03 1 95 . 11 ILE HB H 1.73 0.03 1 96 . 11 ILE HG12 H 1.25 0.03 1 97 . 11 ILE HG13 H 1.25 0.03 1 98 . 11 ILE HG2 H 0.09 0.03 1 99 . 11 ILE HD1 H 0.75 0.03 1 100 . 11 ILE C C 175.02 0.12 1 101 . 11 ILE CA C 61.20 0.12 1 102 . 11 ILE CB C 35.55 0.12 1 103 . 11 ILE CG2 C 17.46 0.12 1 104 . 11 ILE CD1 C 10.81 0.12 1 105 . 11 ILE N N 121.15 0.15 1 106 . 12 VAL H H 8.56 0.03 1 107 . 12 VAL HA H 3.15 0.03 1 108 . 12 VAL HB H 1.85 0.03 1 109 . 12 VAL HG1 H 0.74 0.03 1 110 . 12 VAL HG2 H 0.62 0.03 1 111 . 12 VAL C C 174.06 0.12 1 112 . 12 VAL CA C 66.90 0.12 1 113 . 12 VAL CB C 30.47 0.12 1 114 . 12 VAL CG1 C 22.97 0.12 1 115 . 12 VAL CG2 C 23.94 0.12 1 116 . 12 VAL N N 119.92 0.15 1 117 . 13 ALA H H 7.52 0.03 1 118 . 13 ALA HA H 3.83 0.03 1 119 . 13 ALA HB H 1.35 0.03 1 120 . 13 ALA C C 173.19 0.12 1 121 . 13 ALA CA C 55.20 0.12 1 122 . 13 ALA CB C 17.93 0.12 1 123 . 13 ALA N N 118.79 0.15 1 124 . 14 GLU H H 7.55 0.03 1 125 . 14 GLU HA H 3.87 0.03 1 126 . 14 GLU HB2 H 1.87 0.03 1 127 . 14 GLU HB3 H 1.87 0.03 1 128 . 14 GLU HG2 H 2.23 0.03 2 129 . 14 GLU HG3 H 2.34 0.03 2 130 . 14 GLU C C 172.57 0.12 1 131 . 14 GLU CA C 59.05 0.12 1 132 . 14 GLU CB C 29.16 0.12 1 133 . 14 GLU N N 117.69 0.15 1 134 . 15 PHE H H 9.60 0.03 1 135 . 15 PHE HA H 4.57 0.03 1 136 . 15 PHE HB2 H 3.67 0.03 1 137 . 15 PHE HB3 H 3.67 0.03 1 138 . 15 PHE HD1 H 7.14 0.03 1 139 . 15 PHE HD2 H 7.14 0.03 1 140 . 15 PHE HE1 H 7.25 0.03 1 141 . 15 PHE HE2 H 7.25 0.03 1 142 . 15 PHE HZ H 7.15 0.03 1 143 . 15 PHE C C 172.70 0.12 1 144 . 15 PHE CA C 57.84 0.12 1 145 . 15 PHE CB C 37.09 0.12 1 146 . 15 PHE N N 119.89 0.15 1 147 . 16 PHE H H 8.65 0.03 1 148 . 16 PHE HA H 3.77 0.03 1 149 . 16 PHE HB2 H 2.78 0.03 1 150 . 16 PHE HB3 H 3.08 0.03 1 151 . 16 PHE HD1 H 6.44 0.03 1 152 . 16 PHE HD2 H 6.44 0.03 1 153 . 16 PHE HE1 H 6.77 0.03 1 154 . 16 PHE HE2 H 6.77 0.03 1 155 . 16 PHE HZ H 7.11 0.03 1 156 . 16 PHE C C 175.95 0.12 1 157 . 16 PHE CA C 61.05 0.12 1 158 . 16 PHE CB C 37.28 0.12 1 159 . 16 PHE N N 119.36 0.15 1 160 . 17 SER H H 7.81 0.03 1 161 . 17 SER HA H 3.57 0.03 1 162 . 17 SER HB2 H 3.78 0.03 1 163 . 17 SER HB3 H 3.91 0.03 1 164 . 17 SER C C 173.09 0.12 1 165 . 17 SER CA C 61.53 0.12 1 166 . 17 SER CB C 62.67 0.12 1 167 . 17 SER N N 114.41 0.15 1 168 . 18 PHE H H 8.64 0.03 1 169 . 18 PHE HA H 4.49 0.03 1 170 . 18 PHE HB2 H 3.21 0.03 1 171 . 18 PHE HB3 H 3.05 0.03 1 172 . 18 PHE HD1 H 7.27 0.03 1 173 . 18 PHE HD2 H 7.27 0.03 1 174 . 18 PHE HE1 H 7.29 0.03 1 175 . 18 PHE HE2 H 7.29 0.03 1 176 . 18 PHE HZ H 7.17 0.03 1 177 . 18 PHE C C 172.32 0.12 1 178 . 18 PHE CA C 61.30 0.12 1 179 . 18 PHE CB C 37.52 0.12 1 180 . 18 PHE N N 120.42 0.15 1 181 . 19 GLY H H 9.19 0.03 1 182 . 19 GLY HA2 H 3.60 0.03 2 183 . 19 GLY HA3 H 3.42 0.03 2 184 . 19 GLY C C 177.58 0.12 1 185 . 19 GLY CA C 46.36 0.12 1 186 . 19 GLY N N 111.54 0.15 1 187 . 20 ILE H H 8.69 0.03 1 188 . 20 ILE HA H 3.82 0.03 1 189 . 20 ILE HB H 1.54 0.03 1 190 . 20 ILE HG12 H 1.01 0.03 2 191 . 20 ILE HG13 H 0.97 0.03 2 192 . 20 ILE HG2 H 0.00 0.03 1 193 . 20 ILE HD1 H 0.81 0.03 1 194 . 20 ILE C C 174.38 0.12 1 195 . 20 ILE CA C 61.97 0.12 1 196 . 20 ILE CB C 35.55 0.12 1 197 . 20 ILE CG1 C 28.32 0.12 1 198 . 20 ILE CD1 C 12.01 0.12 1 199 . 20 ILE N N 121.06 0.15 1 200 . 21 ASN H H 7.59 0.03 1 201 . 21 ASN HA H 4.30 0.03 1 202 . 21 ASN HB2 H 2.96 0.03 1 203 . 21 ASN HB3 H 3.13 0.03 1 204 . 21 ASN HD21 H 7.18 0.03 2 205 . 21 ASN HD22 H 6.41 0.03 2 206 . 21 ASN C C 175.70 0.12 1 207 . 21 ASN CA C 58.35 0.12 1 208 . 21 ASN CB C 40.82 0.12 1 209 . 21 ASN N N 119.59 0.15 1 210 . 21 ASN ND2 N 110.84 0.15 1 211 . 22 SER H H 7.93 0.03 1 212 . 22 SER HA H 4.22 0.03 1 213 . 22 SER HB2 H 4.06 0.03 1 214 . 22 SER HB3 H 4.06 0.03 1 215 . 22 SER C C 174.11 0.12 1 216 . 22 SER CA C 61.77 0.12 1 217 . 22 SER CB C 63.88 0.12 1 218 . 22 SER N N 112.50 0.15 1 219 . 23 ILE H H 8.12 0.03 1 220 . 23 ILE HA H 3.16 0.03 1 221 . 23 ILE HB H 1.75 0.03 1 222 . 23 ILE HG12 H 0.71 0.03 2 223 . 23 ILE HG13 H -0.59 0.03 2 224 . 23 ILE HG2 H 0.42 0.03 1 225 . 23 ILE HD1 H 0.04 0.03 1 226 . 23 ILE C C 173.83 0.12 1 227 . 23 ILE CA C 66.43 0.12 1 228 . 23 ILE CB C 37.58 0.12 1 229 . 23 ILE CG2 C 16.05 0.12 1 230 . 23 ILE CD1 C 13.04 0.12 1 231 . 23 ILE N N 120.47 0.15 1 232 . 24 LEU H H 8.29 0.03 1 233 . 24 LEU HG H 2.10 0.03 1 234 . 24 LEU HD1 H 0.72 0.03 1 235 . 24 LEU HD2 H 0.72 0.03 1 236 . 24 LEU C C 173.25 0.12 1 237 . 24 LEU CA C 58.04 0.12 1 238 . 24 LEU CB C 41.74 0.12 1 239 . 24 LEU CD1 C 22.66 0.12 2 240 . 24 LEU CD2 C 23.60 0.12 2 241 . 24 LEU N N 117.07 0.15 1 242 . 25 TYR H H 8.00 0.03 1 243 . 25 TYR HA H 3.74 0.03 1 244 . 25 TYR HB2 H 2.55 0.03 1 245 . 25 TYR HB3 H 1.72 0.03 1 246 . 25 TYR HD1 H 6.32 0.03 1 247 . 25 TYR HD2 H 6.32 0.03 1 248 . 25 TYR HE1 H 6.62 0.03 1 249 . 25 TYR HE2 H 6.62 0.03 1 250 . 25 TYR C C 171.96 0.12 1 251 . 25 TYR CA C 60.37 0.12 1 252 . 25 TYR CB C 38.01 0.12 1 253 . 25 TYR N N 117.10 0.15 1 254 . 26 GLN H H 9.56 0.03 1 255 . 26 GLN HA H 3.76 0.03 1 256 . 26 GLN HB2 H 1.95 0.03 1 257 . 26 GLN HB3 H 1.95 0.03 1 258 . 26 GLN HG2 H 2.27 0.03 1 259 . 26 GLN HG3 H 2.27 0.03 1 260 . 26 GLN HE21 H 7.27 0.03 2 261 . 26 GLN HE22 H 6.58 0.03 2 262 . 26 GLN C C 173.14 0.12 1 263 . 26 GLN CA C 59.51 0.12 1 264 . 26 GLN CB C 29.82 0.12 1 265 . 26 GLN N N 118.36 0.15 1 266 . 26 GLN NE2 N 109.40 0.15 1 267 . 27 ARG H H 8.32 0.03 1 268 . 27 ARG HA H 4.59 0.03 1 269 . 27 ARG HD2 H 3.42 0.03 2 270 . 27 ARG HD3 H 3.18 0.03 2 271 . 27 ARG C C 175.45 0.12 1 272 . 27 ARG CA C 53.22 0.12 1 273 . 27 ARG CB C 26.84 0.12 1 274 . 27 ARG N N 112.24 0.15 1 275 . 28 GLY H H 7.59 0.03 1 276 . 28 GLY HA2 H 4.04 0.03 2 277 . 28 GLY HA3 H 3.91 0.03 2 278 . 28 GLY C C 176.45 0.12 1 279 . 28 GLY CA C 46.18 0.12 1 280 . 28 GLY N N 106.82 0.15 1 281 . 29 ILE H H 8.32 0.03 1 282 . 29 ILE HA H 3.62 0.03 1 283 . 29 ILE HB H 2.29 0.03 1 284 . 29 ILE HG12 H 1.67 0.03 2 285 . 29 ILE HG13 H 1.58 0.03 2 286 . 29 ILE HG2 H 0.94 0.03 1 287 . 29 ILE HD1 H 0.94 0.03 1 288 . 29 ILE C C 176.01 0.12 1 289 . 29 ILE CA C 62.35 0.12 1 290 . 29 ILE CB C 36.27 0.12 1 291 . 29 ILE CG2 C 20.72 0.12 1 292 . 29 ILE CD1 C 11.44 0.12 1 293 . 29 ILE N N 118.72 0.15 1 294 . 30 TYR H H 7.32 0.03 1 295 . 30 TYR HA H 4.86 0.03 1 296 . 30 TYR HB2 H 2.93 0.03 1 297 . 30 TYR HB3 H 2.66 0.03 1 298 . 30 TYR C C 178.38 0.12 1 299 . 30 TYR CA C 55.20 0.12 1 300 . 30 TYR CB C 41.49 0.12 1 301 . 30 TYR N N 115.17 0.15 1 302 . 31 PRO HD2 H 3.87 0.03 2 303 . 31 PRO HD3 H 3.68 0.03 2 304 . 32 SER H H 9.17 0.03 1 305 . 32 SER HA H 4.07 0.03 1 306 . 32 SER HB2 H 4.34 0.03 1 307 . 32 SER HB3 H 4.34 0.03 1 308 . 32 SER CA C 62.17 0.12 1 309 . 32 SER N N 122.79 0.15 1 310 . 33 GLU H H 9.65 0.03 1 311 . 33 GLU HA H 4.49 0.03 1 312 . 33 GLU HB2 H 2.18 0.03 1 313 . 33 GLU HB3 H 2.18 0.03 1 314 . 33 GLU HG2 H 2.37 0.03 1 315 . 33 GLU HG3 H 2.37 0.03 1 316 . 33 GLU C C 174.69 0.12 1 317 . 33 GLU CA C 58.11 0.12 1 318 . 33 GLU CB C 27.88 0.12 1 319 . 33 GLU N N 119.33 0.15 1 320 . 34 THR H H 8.13 0.03 1 321 . 34 THR HA H 4.41 0.03 1 322 . 34 THR HB H 3.27 0.03 1 323 . 34 THR HG2 H 1.31 0.03 1 324 . 34 THR C C 178.45 0.12 1 325 . 34 THR CA C 61.63 0.12 1 326 . 34 THR CB C 69.10 0.12 1 327 . 34 THR CG2 C 22.69 0.12 1 328 . 34 THR N N 109.02 0.15 1 329 . 35 PHE H H 7.59 0.03 1 330 . 35 PHE HA H 4.91 0.03 1 331 . 35 PHE HB2 H 2.72 0.03 1 332 . 35 PHE HB3 H 3.02 0.03 1 333 . 35 PHE HD1 H 7.20 0.03 1 334 . 35 PHE HD2 H 7.20 0.03 1 335 . 35 PHE HE1 H 7.33 0.03 1 336 . 35 PHE HE2 H 7.33 0.03 1 337 . 35 PHE C C 176.33 0.12 1 338 . 35 PHE CA C 57.32 0.12 1 339 . 35 PHE CB C 40.80 0.12 1 340 . 35 PHE N N 119.98 0.15 1 341 . 36 THR H H 9.35 0.03 1 342 . 36 THR HA H 4.67 0.03 1 343 . 36 THR HB H 3.78 0.03 1 344 . 36 THR HG2 H 0.97 0.03 1 345 . 36 THR C C 179.74 0.12 1 346 . 36 THR CA C 58.89 0.12 1 347 . 36 THR CB C 70.32 0.12 1 348 . 36 THR CG2 C 20.16 0.12 1 349 . 36 THR N N 117.43 0.15 1 350 . 37 ARG H H 7.81 0.03 1 351 . 37 ARG HA H 4.99 0.03 1 352 . 37 ARG HB2 H 1.45 0.03 1 353 . 37 ARG HB3 H 1.45 0.03 1 354 . 37 ARG HG2 H 1.63 0.03 1 355 . 37 ARG HG3 H 1.63 0.03 1 356 . 37 ARG HD2 H 3.06 0.03 1 357 . 37 ARG HD3 H 3.06 0.03 1 358 . 37 ARG C C 175.59 0.12 1 359 . 37 ARG CA C 54.86 0.12 1 360 . 37 ARG CB C 31.04 0.12 1 361 . 37 ARG N N 122.32 0.15 1 362 . 38 VAL H H 9.31 0.03 1 363 . 38 VAL HA H 4.39 0.03 1 364 . 38 VAL HB H 1.98 0.03 1 365 . 38 VAL HG1 H 0.85 0.03 1 366 . 38 VAL HG2 H 0.85 0.03 1 367 . 38 VAL C C 177.96 0.12 1 368 . 38 VAL CA C 59.55 0.12 1 369 . 38 VAL CB C 34.33 0.12 1 370 . 38 VAL CG1 C 21.36 0.12 1 371 . 38 VAL CG2 C 20.60 0.12 1 372 . 38 VAL N N 122.35 0.15 1 373 . 39 GLN H H 8.36 0.03 1 374 . 39 GLN HA H 5.22 0.03 1 375 . 39 GLN HB2 H 1.87 0.03 1 376 . 39 GLN HB3 H 1.87 0.03 1 377 . 39 GLN HG2 H 2.19 0.03 1 378 . 39 GLN HG3 H 2.19 0.03 1 379 . 39 GLN HE21 H 7.24 0.03 2 380 . 39 GLN HE22 H 6.69 0.03 2 381 . 39 GLN C C 176.19 0.12 1 382 . 39 GLN CA C 53.66 0.12 1 383 . 39 GLN CB C 28.67 0.12 1 384 . 39 GLN N N 123.08 0.15 1 385 . 39 GLN NE2 N 111.01 0.15 1 386 . 40 LYS H H 8.49 0.03 1 387 . 40 LYS HA H 4.06 0.03 1 388 . 40 LYS HB2 H 1.10 0.03 1 389 . 40 LYS HB3 H 1.10 0.03 1 390 . 40 LYS HG2 H 1.50 0.03 1 391 . 40 LYS HG3 H 1.50 0.03 1 392 . 40 LYS HD2 H 1.29 0.03 1 393 . 40 LYS HD3 H 1.29 0.03 1 394 . 40 LYS HE2 H 2.74 0.03 1 395 . 40 LYS HE3 H 2.74 0.03 1 396 . 40 LYS C C 177.28 0.12 1 397 . 40 LYS CA C 56.01 0.12 1 398 . 40 LYS CB C 35.31 0.12 1 399 . 40 LYS N N 127.33 0.15 1 400 . 41 TYR H H 8.65 0.03 1 401 . 41 TYR HA H 4.23 0.03 1 402 . 41 TYR HB2 H 3.23 0.03 1 403 . 41 TYR HB3 H 3.12 0.03 1 404 . 41 TYR HD1 H 6.95 0.03 1 405 . 41 TYR HD2 H 6.95 0.03 1 406 . 41 TYR HE1 H 6.89 0.03 1 407 . 41 TYR HE2 H 6.89 0.03 1 408 . 41 TYR C C 176.50 0.12 1 409 . 41 TYR CA C 57.63 0.12 1 410 . 41 TYR CB C 35.31 0.12 1 411 . 41 TYR N N 118.16 0.15 1 412 . 42 GLY H H 8.50 0.03 1 413 . 42 GLY HA2 H 3.56 0.03 1 414 . 42 GLY HA3 H 3.97 0.03 1 415 . 42 GLY C C 178.25 0.12 1 416 . 42 GLY CA C 45.13 0.12 1 417 . 42 GLY N N 103.39 0.15 1 418 . 43 LEU H H 8.04 0.03 1 419 . 43 LEU HA H 4.69 0.03 1 420 . 43 LEU HB2 H 1.67 0.03 1 421 . 43 LEU HB3 H 1.67 0.03 1 422 . 43 LEU HG H 1.45 0.03 1 423 . 43 LEU HD1 H 0.84 0.03 1 424 . 43 LEU HD2 H 0.81 0.03 1 425 . 43 LEU C C 176.45 0.12 1 426 . 43 LEU CA C 52.98 0.12 1 427 . 43 LEU CB C 44.05 0.12 1 428 . 43 LEU CD1 C 26.63 0.12 1 429 . 43 LEU CD2 C 24.37 0.12 1 430 . 43 LEU N N 121.70 0.15 1 431 . 44 THR H H 8.02 0.03 1 432 . 44 THR HA H 4.72 0.03 1 433 . 44 THR HB H 3.86 0.03 1 434 . 44 THR HG2 H 1.01 0.03 1 435 . 44 THR C C 177.98 0.12 1 436 . 44 THR CA C 61.86 0.12 1 437 . 44 THR CB C 68.60 0.12 1 438 . 44 THR CG2 C 21.85 0.12 1 439 . 44 THR N N 115.61 0.15 1 440 . 45 LEU H H 9.15 0.03 1 441 . 45 LEU HA H 4.39 0.03 1 442 . 45 LEU HB2 H 1.16 0.03 1 443 . 45 LEU HB3 H 1.16 0.03 1 444 . 45 LEU HG H 1.03 0.03 1 445 . 45 LEU HD1 H -0.06 0.03 1 446 . 45 LEU HD2 H 0.47 0.03 1 447 . 45 LEU C C 177.32 0.12 1 448 . 45 LEU CA C 53.09 0.12 1 449 . 45 LEU CB C 43.51 0.12 1 450 . 45 LEU CD1 C 25.11 0.12 1 451 . 45 LEU CD2 C 23.97 0.12 1 452 . 45 LEU N N 129.88 0.15 1 453 . 46 LEU H H 7.85 0.03 1 454 . 46 LEU HA H 5.02 0.03 1 455 . 46 LEU HB2 H 0.76 0.03 1 456 . 46 LEU HB3 H 1.24 0.03 1 457 . 46 LEU HG H 0.85 0.03 1 458 . 46 LEU HD1 H 0.05 0.03 1 459 . 46 LEU HD2 H 0.32 0.03 1 460 . 46 LEU C C 174.70 0.12 1 461 . 46 LEU CA C 53.21 0.12 1 462 . 46 LEU CB C 41.54 0.12 1 463 . 46 LEU CD1 C 24.38 0.12 1 464 . 46 LEU CD2 C 23.82 0.12 1 465 . 46 LEU N N 122.35 0.15 1 466 . 47 VAL H H 8.62 0.03 1 467 . 47 VAL HA H 4.51 0.03 1 468 . 47 VAL HB H 1.94 0.03 1 469 . 47 VAL HG1 H 0.91 0.03 1 470 . 47 VAL HG2 H 0.77 0.03 1 471 . 47 VAL C C 177.13 0.12 1 472 . 47 VAL CA C 59.29 0.12 1 473 . 47 VAL CB C 35.78 0.12 1 474 . 47 VAL CG1 C 22.13 0.12 1 475 . 47 VAL CG2 C 20.72 0.12 1 476 . 47 VAL N N 115.17 0.15 1 477 . 48 THR H H 8.03 0.03 1 478 . 48 THR HA H 3.52 0.03 1 479 . 48 THR HG2 H 0.83 0.03 1 480 . 48 THR C C 179.50 0.12 1 481 . 48 THR CA C 61.53 0.12 1 482 . 48 THR CB C 68.21 0.12 1 483 . 48 THR CG2 C 19.04 0.12 1 484 . 48 THR N N 118.25 0.15 1 485 . 49 THR H H 7.28 0.03 1 486 . 49 THR HA H 4.26 0.03 1 487 . 49 THR HG2 H 1.09 0.03 1 488 . 49 THR C C 177.00 0.12 1 489 . 49 THR CA C 60.47 0.12 1 490 . 49 THR CB C 69.10 0.12 1 491 . 49 THR CG2 C 22.13 0.12 1 492 . 49 THR N N 111.33 0.15 1 493 . 50 ASP H H 8.19 0.03 1 494 . 50 ASP HA H 4.45 0.03 1 495 . 50 ASP HB2 H 2.35 0.03 1 496 . 50 ASP HB3 H 2.72 0.03 1 497 . 50 ASP C C 176.07 0.12 1 498 . 50 ASP CA C 54.05 0.12 1 499 . 50 ASP CB C 40.80 0.12 1 500 . 50 ASP N N 125.04 0.15 1 501 . 51 LEU H H 8.29 0.03 1 502 . 51 LEU HA H 3.85 0.03 1 503 . 51 LEU HB2 H 1.78 0.03 1 504 . 51 LEU HB3 H 1.78 0.03 1 505 . 51 LEU HG H 1.54 0.03 1 506 . 51 LEU HD1 H 0.95 0.03 1 507 . 51 LEU HD2 H 0.85 0.03 1 508 . 51 LEU C C 172.08 0.12 1 509 . 51 LEU CA C 57.59 0.12 1 510 . 51 LEU CB C 41.05 0.12 1 511 . 51 LEU CD1 C 25.22 0.12 1 512 . 51 LEU CD2 C 23.53 0.12 1 513 . 51 LEU N N 127.06 0.15 1 514 . 52 GLU H H 8.03 0.03 1 515 . 52 GLU HA H 4.11 0.03 1 516 . 52 GLU HB2 H 2.30 0.03 1 517 . 52 GLU HB3 H 2.30 0.03 1 518 . 52 GLU HG2 H 2.47 0.03 1 519 . 52 GLU HG3 H 2.47 0.03 1 520 . 52 GLU C C 172.70 0.12 1 521 . 52 GLU N N 117.25 0.15 1 522 . 53 LEU H H 8.02 0.03 1 523 . 53 LEU HA H 3.43 0.03 1 524 . 53 LEU HG H 1.14 0.03 1 525 . 53 LEU HD1 H 0.27 0.03 1 526 . 53 LEU HD2 H 0.57 0.03 1 527 . 53 LEU C C 173.45 0.12 1 528 . 53 LEU CA C 56.78 0.12 1 529 . 53 LEU CB C 39.00 0.12 1 530 . 53 LEU CD1 C 21.84 0.12 1 531 . 53 LEU CD2 C 25.78 0.12 1 532 . 53 LEU N N 124.69 0.15 1 533 . 54 ILE H H 8.44 0.03 1 534 . 54 ILE HA H 3.32 0.03 1 535 . 54 ILE HB H 1.88 0.03 1 536 . 54 ILE HG12 H 1.67 0.03 2 537 . 54 ILE HG13 H 1.43 0.03 2 538 . 54 ILE HG2 H 0.75 0.03 1 539 . 54 ILE HD1 H 0.61 0.03 1 540 . 54 ILE C C 173.67 0.12 1 541 . 54 ILE CA C 64.43 0.12 1 542 . 54 ILE CB C 37.03 0.12 1 543 . 54 ILE CG2 C 17.63 0.12 1 544 . 54 ILE CD1 C 12.85 0.12 1 545 . 54 ILE N N 119.21 0.15 1 546 . 55 LYS H H 7.54 0.03 1 547 . 55 LYS HA H 3.87 0.03 1 548 . 55 LYS HB2 H 1.86 0.03 1 549 . 55 LYS HB3 H 1.86 0.03 1 550 . 55 LYS HG2 H 1.72 0.03 1 551 . 55 LYS HG3 H 1.72 0.03 1 552 . 55 LYS HE2 H 2.98 0.03 1 553 . 55 LYS HE3 H 2.98 0.03 1 554 . 55 LYS C C 172.94 0.12 1 555 . 55 LYS CA C 59.28 0.12 1 556 . 55 LYS CB C 31.87 0.12 1 557 . 55 LYS N N 118.77 0.15 1 558 . 56 TYR H H 7.52 0.03 1 559 . 56 TYR HA H 4.06 0.03 1 560 . 56 TYR HB2 H 3.05 0.03 1 561 . 56 TYR HB3 H 2.72 0.03 1 562 . 56 TYR HD1 H 6.58 0.03 1 563 . 56 TYR HD2 H 6.58 0.03 1 564 . 56 TYR HE1 H 5.86 0.03 1 565 . 56 TYR HE2 H 5.86 0.03 1 566 . 56 TYR C C 174.44 0.12 1 567 . 56 TYR CA C 61.28 0.12 1 568 . 56 TYR CB C 38.02 0.12 1 569 . 56 TYR N N 119.83 0.15 1 570 . 57 LEU H H 8.98 0.03 1 571 . 57 LEU HA H 3.56 0.03 1 572 . 57 LEU HB2 H 1.57 0.03 1 573 . 57 LEU HB3 H 1.57 0.03 1 574 . 57 LEU HG H 1.31 0.03 1 575 . 57 LEU HD1 H 0.60 0.03 1 576 . 57 LEU HD2 H 0.55 0.03 1 577 . 57 LEU C C 173.07 0.12 1 578 . 57 LEU CA C 56.94 0.12 1 579 . 57 LEU CB C 40.64 0.12 1 580 . 57 LEU CD1 C 24.65 0.12 1 581 . 57 LEU CD2 C 22.97 0.12 1 582 . 57 LEU N N 118.92 0.15 1 583 . 58 ASN H H 8.77 0.03 1 584 . 58 ASN HA H 4.27 0.03 1 585 . 58 ASN HB2 H 2.70 0.03 1 586 . 58 ASN HB3 H 2.85 0.03 1 587 . 58 ASN HD21 H 7.43 0.03 2 588 . 58 ASN HD22 H 6.65 0.03 2 589 . 58 ASN C C 174.12 0.12 1 590 . 58 ASN CA C 55.67 0.12 1 591 . 58 ASN CB C 37.36 0.12 1 592 . 58 ASN N N 117.02 0.15 1 593 . 58 ASN ND2 N 110.92 0.15 1 594 . 59 ASN H H 7.47 0.03 1 595 . 59 ASN HA H 4.40 0.03 1 596 . 59 ASN HB2 H 2.76 0.03 1 597 . 59 ASN HB3 H 2.91 0.03 1 598 . 59 ASN HD21 H 7.52 0.03 2 599 . 59 ASN HD22 H 6.81 0.03 2 600 . 59 ASN C C 173.83 0.12 1 601 . 59 ASN CA C 55.90 0.12 1 602 . 59 ASN CB C 38.18 0.12 1 603 . 59 ASN N N 118.10 0.15 1 604 . 59 ASN ND2 N 111.63 0.15 1 605 . 60 VAL H H 7.70 0.03 1 606 . 60 VAL HA H 3.51 0.03 1 607 . 60 VAL HB H 1.94 0.03 1 608 . 60 VAL HG1 H 0.84 0.03 1 609 . 60 VAL HG2 H 0.46 0.03 1 610 . 60 VAL C C 174.35 0.12 1 611 . 60 VAL CA C 66.78 0.12 1 612 . 60 VAL CB C 31.37 0.12 1 613 . 60 VAL CG1 C 21.28 0.12 1 614 . 60 VAL CG2 C 22.13 0.12 1 615 . 60 VAL N N 120.24 0.15 1 616 . 61 VAL H H 8.94 0.03 1 617 . 61 VAL HA H 3.46 0.03 1 618 . 61 VAL HB H 2.19 0.03 1 619 . 61 VAL HG1 H 0.85 0.03 1 620 . 61 VAL HG2 H 1.04 0.03 1 621 . 61 VAL C C 174.39 0.12 1 622 . 61 VAL CA C 66.68 0.12 1 623 . 61 VAL CB C 30.87 0.12 1 624 . 61 VAL N N 119.39 0.15 1 625 . 62 GLU H H 8.09 0.03 1 626 . 62 GLU HA H 3.83 0.03 1 627 . 62 GLU HB2 H 1.94 0.03 1 628 . 62 GLU HB3 H 1.94 0.03 1 629 . 62 GLU HG2 H 2.23 0.03 1 630 . 62 GLU HG3 H 2.23 0.03 1 631 . 62 GLU C C 172.77 0.12 1 632 . 62 GLU CA C 59.05 0.12 1 633 . 62 GLU CB C 28.82 0.12 1 634 . 62 GLU N N 118.88 0.15 1 635 . 63 GLN H H 7.14 0.03 1 636 . 63 GLN HA H 3.61 0.03 1 637 . 63 GLN C C 174.38 0.12 1 638 . 63 GLN CA C 56.69 0.12 1 639 . 63 GLN CB C 27.67 0.12 1 640 . 63 GLN N N 118.25 0.15 1 641 . 64 LEU H H 8.48 0.03 1 642 . 64 LEU HA H 3.83 0.03 1 643 . 64 LEU HB2 H 1.66 0.03 1 644 . 64 LEU HB3 H 1.66 0.03 1 645 . 64 LEU HD1 H 0.79 0.03 1 646 . 64 LEU HD2 H 0.81 0.03 1 647 . 64 LEU C C 173.83 0.12 1 648 . 64 LEU CA C 57.43 0.12 1 649 . 64 LEU CB C 41.25 0.12 1 650 . 64 LEU CD1 C 17.91 0.12 1 651 . 64 LEU CD2 C 25.50 0.12 1 652 . 64 LEU N N 119.15 0.15 1 653 . 65 LYS H H 8.27 0.03 1 654 . 65 LYS HA H 3.60 0.03 1 655 . 65 LYS HB2 H 1.72 0.03 1 656 . 65 LYS HB3 H 1.72 0.03 1 657 . 65 LYS HG2 H 1.39 0.03 1 658 . 65 LYS HG3 H 1.39 0.03 1 659 . 65 LYS HE2 H 2.83 0.03 1 660 . 65 LYS HE3 H 2.83 0.03 1 661 . 65 LYS C C 174.51 0.12 1 662 . 65 LYS CA C 60.60 0.12 1 663 . 65 LYS CB C 31.37 0.12 1 664 . 65 LYS N N 117.12 0.15 1 665 . 66 ASP H H 6.85 0.03 1 666 . 66 ASP HA H 4.49 0.03 1 667 . 66 ASP HB2 H 3.22 0.03 1 668 . 66 ASP HB3 H 2.52 0.03 1 669 . 66 ASP C C 173.02 0.12 1 670 . 66 ASP CA C 57.31 0.12 1 671 . 66 ASP CB C 41.00 0.12 1 672 . 66 ASP N N 117.22 0.15 1 673 . 67 TRP H H 6.75 0.03 1 674 . 67 TRP HA H 5.38 0.03 1 675 . 67 TRP HB2 H 0.42 0.03 1 676 . 67 TRP HB3 H 1.27 0.03 1 677 . 67 TRP HD1 H 6.95 0.03 1 678 . 67 TRP HE1 H 10.23 0.03 1 679 . 67 TRP HE3 H 6.96 0.03 1 680 . 67 TRP HZ2 H 7.10 0.03 1 681 . 67 TRP HZ3 H 6.36 0.03 1 682 . 67 TRP HH2 H 6.70 0.03 1 683 . 67 TRP N N 113.71 0.15 1 684 . 67 TRP NE1 N 128.97 0.15 1 685 . 68 LEU H H 5.39 0.03 1 686 . 68 LEU N N 113.71 0.15 1 687 . 72 SER H H 8.12 0.03 1 688 . 72 SER HA H 4.39 0.03 1 689 . 72 SER HB2 H 3.87 0.03 1 690 . 72 SER HB3 H 3.87 0.03 1 691 . 72 SER N N 115.32 0.15 1 692 . 73 VAL HB H 0.80 0.03 1 693 . 73 VAL CB C 22.04 0.12 1 694 . 74 GLN H H 8.91 0.03 1 695 . 74 GLN HA H 4.46 0.03 1 696 . 74 GLN HB2 H 1.82 0.03 1 697 . 74 GLN HB3 H 1.82 0.03 1 698 . 74 GLN HG2 H 2.29 0.03 2 699 . 74 GLN HG3 H 2.11 0.03 2 700 . 74 GLN HE21 H 6.54 0.03 1 701 . 74 GLN HE22 H 7.48 0.03 1 702 . 74 GLN C C 175.72 0.12 1 703 . 74 GLN CA C 57.31 0.12 1 704 . 74 GLN CB C 30.05 0.12 1 705 . 74 GLN N N 125.40 0.15 1 706 . 74 GLN NE2 N 110.10 0.15 1 707 . 75 LYS H H 7.53 0.03 1 708 . 75 LYS HA H 5.10 0.03 1 709 . 75 LYS HB2 H 1.71 0.03 1 710 . 75 LYS HB3 H 1.71 0.03 1 711 . 75 LYS HG2 H 1.21 0.03 1 712 . 75 LYS HG3 H 1.21 0.03 1 713 . 75 LYS HE2 H 2.20 0.03 2 714 . 75 LYS HE3 H 1.99 0.03 2 715 . 75 LYS C C 178.82 0.12 1 716 . 75 LYS CA C 55.07 0.12 1 717 . 75 LYS CB C 35.07 0.12 1 718 . 75 LYS N N 112.88 0.15 1 719 . 76 LEU H H 9.08 0.03 1 720 . 76 LEU HA H 5.53 0.03 1 721 . 76 LEU HG H 1.55 0.03 1 722 . 76 LEU HD1 H 0.15 0.03 1 723 . 76 LEU HD2 H 0.77 0.03 1 724 . 76 LEU C C 176.19 0.12 1 725 . 76 LEU CA C 52.90 0.12 1 726 . 76 LEU CB C 43.80 0.12 1 727 . 76 LEU CD1 C 25.60 0.12 1 728 . 76 LEU CD2 C 26.35 0.12 1 729 . 76 LEU N N 120.91 0.15 1 730 . 77 VAL H H 9.48 0.03 1 731 . 77 VAL HA H 5.28 0.03 1 732 . 77 VAL HB H 2.26 0.03 1 733 . 77 VAL HG1 H 0.96 0.03 1 734 . 77 VAL HG2 H 0.91 0.03 1 735 . 77 VAL C C 177.28 0.12 1 736 . 77 VAL CA C 60.50 0.12 1 737 . 77 VAL CB C 35.28 0.12 1 738 . 77 VAL N N 123.29 0.15 1 739 . 78 VAL H H 9.66 0.03 1 740 . 78 VAL HA H 5.07 0.03 1 741 . 78 VAL HB H 2.29 0.03 1 742 . 78 VAL HG1 H 0.57 0.03 1 743 . 78 VAL HG2 H 0.96 0.03 1 744 . 78 VAL N N 127.04 0.15 1 745 . 79 VAL H H 9.58 0.03 1 746 . 79 VAL HA H 4.44 0.03 1 747 . 79 VAL N N 128.62 0.15 1 748 . 80 ILE H H 8.88 0.03 1 749 . 80 ILE HA H 4.99 0.03 1 750 . 80 ILE HB H 1.88 0.03 1 751 . 80 ILE HG2 H 0.88 0.03 1 752 . 80 ILE HD1 H 0.77 0.03 1 753 . 80 ILE CG2 C 17.35 0.12 1 754 . 80 ILE CD1 C 13.69 0.12 1 755 . 80 ILE N N 130.03 0.15 1 756 . 81 SER H H 8.89 0.03 1 757 . 81 SER HA H 5.33 0.03 1 758 . 81 SER HB2 H 3.36 0.03 1 759 . 81 SER HB3 H 3.51 0.03 1 760 . 81 SER C C 179.08 0.12 1 761 . 81 SER CA C 56.71 0.12 1 762 . 81 SER CB C 64.66 0.12 1 763 . 81 SER N N 121.03 0.15 1 764 . 82 ASN H H 8.90 0.03 1 765 . 82 ASN HA H 4.61 0.03 1 766 . 82 ASN HB2 H 3.31 0.03 1 767 . 82 ASN HB3 H 2.57 0.03 1 768 . 82 ASN HD21 H 7.93 0.03 2 769 . 82 ASN HD22 H 7.58 0.03 2 770 . 82 ASN C C 174.88 0.12 1 771 . 82 ASN CA C 52.63 0.12 1 772 . 82 ASN CB C 38.76 0.12 1 773 . 82 ASN N N 121.94 0.15 1 774 . 82 ASN ND2 N 114.26 0.15 1 775 . 83 ILE H H 8.10 0.03 1 776 . 83 ILE HA H 4.02 0.03 1 777 . 83 ILE HB H 1.60 0.03 1 778 . 83 ILE HG12 H 1.44 0.03 2 779 . 83 ILE HG13 H 1.20 0.03 2 780 . 83 ILE HG2 H 0.84 0.03 1 781 . 83 ILE HD1 H 0.84 0.03 1 782 . 83 ILE C C 175.75 0.12 1 783 . 83 ILE CA C 62.58 0.12 1 784 . 83 ILE CB C 38.01 0.12 1 785 . 83 ILE CG2 C 18.19 0.12 1 786 . 83 ILE CD1 C 14.82 0.12 1 787 . 83 ILE N N 126.57 0.15 1 788 . 84 GLU H H 8.36 0.03 1 789 . 84 GLU HA H 4.17 0.03 1 790 . 84 GLU HB2 H 2.10 0.03 1 791 . 84 GLU HB3 H 2.10 0.03 1 792 . 84 GLU HG2 H 2.38 0.03 1 793 . 84 GLU HG3 H 2.38 0.03 1 794 . 84 GLU C C 174.26 0.12 1 795 . 84 GLU CA C 57.99 0.12 1 796 . 84 GLU CB C 29.32 0.12 1 797 . 84 GLU N N 120.77 0.15 1 798 . 85 SER H H 7.40 0.03 1 799 . 85 SER HA H 4.57 0.03 1 800 . 85 SER HB2 H 3.71 0.03 1 801 . 85 SER HB3 H 3.71 0.03 1 802 . 85 SER C C 175.63 0.12 1 803 . 85 SER CA C 57.30 0.12 1 804 . 85 SER CB C 65.40 0.12 1 805 . 85 SER N N 110.19 0.15 1 806 . 86 GLY H H 8.37 0.03 1 807 . 86 GLY HA2 H 4.18 0.03 2 808 . 86 GLY HA3 H 3.74 0.03 2 809 . 86 GLY C C 177.86 0.12 1 810 . 86 GLY CA C 45.25 0.12 1 811 . 86 GLY N N 112.47 0.15 1 812 . 87 GLU H H 7.86 0.03 1 813 . 87 GLU HA H 4.14 0.03 1 814 . 87 GLU HB2 H 1.89 0.03 1 815 . 87 GLU HB3 H 1.89 0.03 1 816 . 87 GLU HG2 H 2.19 0.03 2 817 . 87 GLU HG3 H 2.14 0.03 2 818 . 87 GLU C C 175.69 0.12 1 819 . 87 GLU CA C 56.11 0.12 1 820 . 87 GLU CB C 30.56 0.12 1 821 . 87 GLU N N 120.24 0.15 1 822 . 88 VAL H H 8.66 0.03 1 823 . 88 VAL HA H 3.73 0.03 1 824 . 88 VAL HB H 1.89 0.03 1 825 . 88 VAL HG1 H 0.66 0.03 1 826 . 88 VAL HG2 H 0.92 0.03 1 827 . 88 VAL C C 175.57 0.12 1 828 . 88 VAL CA C 63.99 0.12 1 829 . 88 VAL CB C 31.31 0.12 1 830 . 88 VAL CG1 C 21.57 0.12 1 831 . 88 VAL CG2 C 22.13 0.12 1 832 . 88 VAL N N 125.43 0.15 1 833 . 89 LEU H H 9.58 0.03 1 834 . 89 LEU HA H 4.45 0.03 1 835 . 89 LEU HB2 H 2.17 0.03 1 836 . 89 LEU HB3 H 2.17 0.03 1 837 . 89 LEU HG H 1.57 0.03 1 838 . 89 LEU HD1 H 0.92 0.03 1 839 . 89 LEU HD2 H 0.76 0.03 1 840 . 89 LEU C C 174.51 0.12 1 841 . 89 LEU CA C 55.76 0.12 1 842 . 89 LEU CB C 42.23 0.12 1 843 . 89 LEU CD1 C 22.97 0.12 1 844 . 89 LEU CD2 C 26.35 0.12 1 845 . 89 LEU N N 128.62 0.15 1 846 . 90 GLU H H 7.78 0.03 1 847 . 90 GLU HA H 4.63 0.03 1 848 . 90 GLU HB2 H 1.85 0.03 2 849 . 90 GLU HB3 H 1.97 0.03 2 850 . 90 GLU HG2 H 2.13 0.03 1 851 . 90 GLU HG3 H 2.13 0.03 1 852 . 90 GLU C C 179.14 0.12 1 853 . 90 GLU CA C 54.86 0.12 1 854 . 90 GLU CB C 31.81 0.12 1 855 . 90 GLU N N 112.77 0.15 1 856 . 91 ARG H H 8.04 0.03 1 857 . 91 ARG HA H 5.36 0.03 1 858 . 91 ARG HB2 H 1.44 0.03 1 859 . 91 ARG HB3 H 1.44 0.03 1 860 . 91 ARG C C 177.19 0.12 1 861 . 91 ARG CA C 54.04 0.12 1 862 . 91 ARG CB C 33.29 0.12 1 863 . 91 ARG N N 118.39 0.15 1 864 . 92 TRP H H 9.48 0.03 1 865 . 92 TRP HA H 4.57 0.03 1 866 . 92 TRP HB2 H 3.04 0.03 1 867 . 92 TRP HB3 H 3.04 0.03 1 868 . 92 TRP HZ3 H 7.14 0.03 1 869 . 92 TRP HH2 H 6.99 0.03 1 870 . 92 TRP C C 178.31 0.12 1 871 . 92 TRP CA C 55.38 0.12 1 872 . 92 TRP CB C 43.02 0.12 1 873 . 92 TRP N N 125.40 0.15 1 874 . 93 GLN H H 8.99 0.03 1 875 . 93 GLN HA H 5.10 0.03 1 876 . 93 GLN HE21 H 6.75 0.03 1 877 . 93 GLN HE22 H 8.79 0.03 1 878 . 93 GLN CA C 54.67 0.12 1 879 . 93 GLN N N 123.70 0.15 1 880 . 93 GLN NE2 N 116.26 0.15 1 881 . 94 PHE H H 9.67 0.03 1 882 . 94 PHE HA H 5.86 0.03 1 883 . 94 PHE HB2 H 3.23 0.03 1 884 . 94 PHE HB3 H 2.89 0.03 1 885 . 94 PHE HD1 H 7.37 0.03 1 886 . 94 PHE HD2 H 7.37 0.03 1 887 . 94 PHE HE1 H 7.14 0.03 1 888 . 94 PHE HE2 H 7.14 0.03 1 889 . 94 PHE C C 176.25 0.12 1 890 . 94 PHE CA C 55.08 0.12 1 891 . 94 PHE CB C 39.52 0.12 1 892 . 94 PHE N N 125.19 0.15 1 893 . 95 ASP H H 8.70 0.03 1 894 . 95 ASP HA H 4.99 0.03 1 895 . 95 ASP HB2 H 2.48 0.03 1 896 . 95 ASP HB3 H 2.70 0.03 1 897 . 95 ASP C C 176.76 0.12 1 898 . 95 ASP CA C 54.02 0.12 1 899 . 95 ASP CB C 41.77 0.12 1 900 . 95 ASP N N 125.18 0.15 1 901 . 96 ILE H H 7.74 0.03 1 902 . 96 ILE HA H 4.68 0.03 1 903 . 96 ILE HB H 1.97 0.03 1 904 . 96 ILE HG12 H 1.34 0.03 2 905 . 96 ILE HG13 H 1.18 0.03 2 906 . 96 ILE HG2 H 0.87 0.03 1 907 . 96 ILE HD1 H 0.62 0.03 1 908 . 96 ILE C C 176.01 0.12 1 909 . 96 ILE CA C 58.95 0.12 1 910 . 96 ILE CB C 37.51 0.12 1 911 . 96 ILE CG2 C 18.75 0.12 1 912 . 96 ILE CD1 C 11.44 0.12 1 913 . 96 ILE N N 120.88 0.15 1 914 . 97 GLU H H 8.88 0.03 1 915 . 97 GLU HA H 4.98 0.03 1 916 . 97 GLU HB2 H 1.79 0.03 1 917 . 97 GLU HB3 H 1.79 0.03 1 918 . 97 GLU HG2 H 2.16 0.03 2 919 . 97 GLU HG3 H 1.98 0.03 2 920 . 97 GLU C C 177.00 0.12 1 921 . 97 GLU CA C 54.74 0.12 1 922 . 97 GLU CB C 30.11 0.12 1 923 . 97 GLU N N 130.03 0.15 1 924 . 98 CYS H H 8.76 0.03 1 925 . 98 CYS HA H 5.08 0.03 1 926 . 98 CYS HB2 H 2.69 0.03 1 927 . 98 CYS HB3 H 2.95 0.03 1 928 . 98 CYS C C 177.26 0.12 1 929 . 98 CYS CA C 57.43 0.12 1 930 . 98 CYS CB C 28.10 0.12 1 931 . 98 CYS N N 124.69 0.15 1 932 . 99 ASP H H 8.22 0.03 1 933 . 99 ASP HA H 4.61 0.03 1 934 . 99 ASP HB2 H 2.52 0.03 1 935 . 99 ASP HB3 H 2.64 0.03 1 936 . 99 ASP C C 175.69 0.12 1 937 . 99 ASP CA C 53.79 0.12 1 938 . 99 ASP CB C 41.29 0.12 1 939 . 99 ASP N N 126.63 0.15 1 940 . 100 LYS H H 8.49 0.03 1 941 . 100 LYS HA H 4.40 0.03 1 942 . 100 LYS HB2 H 1.81 0.03 1 943 . 100 LYS HB3 H 1.95 0.03 1 944 . 100 LYS HG2 H 1.51 0.03 1 945 . 100 LYS HG3 H 1.51 0.03 1 946 . 100 LYS HE2 H 3.06 0.03 1 947 . 100 LYS HE3 H 3.06 0.03 1 948 . 100 LYS C C 174.94 0.12 1 949 . 100 LYS CA C 56.18 0.12 1 950 . 100 LYS CB C 32.05 0.12 1 951 . 100 LYS N N 122.76 0.15 1 952 . 101 THR H H 8.23 0.03 1 953 . 101 THR HA H 4.29 0.03 1 954 . 101 THR HB H 4.24 0.03 1 955 . 101 THR HG2 H 1.26 0.03 1 956 . 101 THR C C 177.39 0.12 1 957 . 101 THR CA C 61.98 0.12 1 958 . 101 THR CB C 69.64 0.12 1 959 . 101 THR CG2 C 22.41 0.12 1 960 . 101 THR N N 115.17 0.15 1 961 . 102 ALA H H 8.31 0.03 1 962 . 102 ALA HA H 4.35 0.03 1 963 . 102 ALA HB H 1.42 0.03 1 964 . 102 ALA C C 174.07 0.12 1 965 . 102 ALA CA C 52.03 0.12 1 966 . 102 ALA CB C 18.90 0.12 1 967 . 102 ALA N N 126.51 0.15 1 968 . 103 LYS H H 8.30 0.03 1 969 . 103 LYS HA H 4.24 0.03 1 970 . 103 LYS HB2 H 1.84 0.03 1 971 . 103 LYS HB3 H 1.75 0.03 1 972 . 103 LYS HG2 H 1.42 0.03 1 973 . 103 LYS HG3 H 1.42 0.03 1 974 . 103 LYS HE2 H 3.01 0.03 1 975 . 103 LYS HE3 H 3.01 0.03 1 976 . 103 LYS C C 175.38 0.12 1 977 . 103 LYS CA C 56.38 0.12 1 978 . 103 LYS CB C 32.36 0.12 1 979 . 103 LYS N N 120.53 0.15 1 980 . 104 ASP H H 8.23 0.03 1 981 . 104 ASP HA H 4.64 0.03 1 982 . 104 ASP HB2 H 2.71 0.03 1 983 . 104 ASP HB3 H 2.71 0.03 1 984 . 104 ASP C C 175.77 0.12 1 985 . 104 ASP CA C 53.90 0.12 1 986 . 104 ASP CB C 40.75 0.12 1 987 . 104 ASP N N 120.15 0.15 1 988 . 105 ASP H H 8.22 0.03 1 989 . 105 ASP C C 175.44 0.12 1 990 . 105 ASP CA C 54.33 0.12 1 991 . 105 ASP CB C 40.67 0.12 1 992 . 105 ASP N N 120.71 0.15 1 993 . 106 SER H H 8.27 0.03 1 994 . 106 SER HA H 4.41 0.03 1 995 . 106 SER HB2 H 3.91 0.03 1 996 . 106 SER HB3 H 3.91 0.03 1 997 . 106 SER C C 177.75 0.12 1 998 . 106 SER CA C 58.36 0.12 1 999 . 106 SER CB C 63.64 0.12 1 1000 . 106 SER N N 115.19 0.15 1 1001 . 107 ALA H H 8.02 0.03 1 1002 . 107 ALA HA H 4.61 0.03 1 1003 . 107 ALA HB H 1.38 0.03 1 1004 . 107 ALA C C 176.45 0.12 1 1005 . 107 ALA CA C 50.35 0.12 1 1006 . 107 ALA CB C 17.79 0.12 1 1007 . 107 ALA N N 126.19 0.15 1 1008 . 108 PRO HA H 4.46 0.03 1 1009 . 108 PRO HB2 H 2.35 0.03 1 1010 . 108 PRO HB3 H 2.35 0.03 1 1011 . 108 PRO HG2 H 2.05 0.03 2 1012 . 108 PRO HG3 H 1.93 0.03 2 1013 . 108 PRO HD2 H 3.84 0.03 2 1014 . 108 PRO HD3 H 3.65 0.03 2 1015 . 108 PRO C C 174.39 0.12 1 1016 . 108 PRO CA C 62.79 0.12 1 1017 . 108 PRO CB C 31.45 0.12 1 1018 . 109 ARG H H 8.49 0.03 1 1019 . 109 ARG HA H 4.29 0.03 1 1020 . 109 ARG HB2 H 1.86 0.03 1 1021 . 109 ARG HB3 H 1.86 0.03 1 1022 . 109 ARG HG2 H 1.69 0.03 1 1023 . 109 ARG HG3 H 1.69 0.03 1 1024 . 109 ARG HD2 H 3.23 0.03 1 1025 . 109 ARG HD3 H 3.23 0.03 1 1026 . 109 ARG C C 174.94 0.12 1 1027 . 109 ARG CA C 56.25 0.12 1 1028 . 109 ARG CB C 30.05 0.12 1 1029 . 109 ARG N N 121.83 0.15 1 1030 . 110 GLU H H 8.63 0.03 1 1031 . 110 GLU HA H 4.23 0.03 1 1032 . 110 GLU HB2 H 2.01 0.03 1 1033 . 110 GLU HB3 H 2.01 0.03 1 1034 . 110 GLU HG2 H 2.29 0.03 1 1035 . 110 GLU HG3 H 2.29 0.03 1 1036 . 110 GLU C C 174.70 0.12 1 1037 . 110 GLU CA C 57.03 0.12 1 1038 . 110 GLU CB C 29.31 0.12 1 1039 . 110 GLU N N 121.12 0.15 1 1040 . 111 LYS H H 8.23 0.03 1 1041 . 111 LYS HA H 4.32 0.03 1 1042 . 111 LYS HB2 H 1.86 0.03 1 1043 . 111 LYS HB3 H 1.86 0.03 1 1044 . 111 LYS HG2 H 1.68 0.03 1 1045 . 111 LYS HG3 H 1.68 0.03 1 1046 . 111 LYS HD2 H 1.52 0.03 1 1047 . 111 LYS HD3 H 1.52 0.03 1 1048 . 111 LYS HE2 H 3.03 0.03 1 1049 . 111 LYS HE3 H 3.03 0.03 1 1050 . 111 LYS C C 174.76 0.12 1 1051 . 111 LYS CA C 56.48 0.12 1 1052 . 111 LYS CB C 32.36 0.12 1 1053 . 111 LYS N N 121.76 0.15 1 1054 . 112 SER H H 8.24 0.03 1 1055 . 112 SER HA H 4.46 0.03 1 1056 . 112 SER C C 176.52 0.12 1 1057 . 112 SER CA C 58.12 0.12 1 1058 . 112 SER CB C 63.39 0.12 1 1059 . 112 SER N N 116.75 0.15 1 1060 . 113 GLN H H 8.64 0.03 1 1061 . 113 GLN HA H 4.26 0.03 1 1062 . 113 GLN HB2 H 2.18 0.03 1 1063 . 113 GLN HB3 H 2.18 0.03 1 1064 . 113 GLN HG2 H 2.43 0.03 1 1065 . 113 GLN HG3 H 2.43 0.03 1 1066 . 113 GLN HE21 H 7.60 0.03 1 1067 . 113 GLN HE22 H 7.60 0.03 1 1068 . 113 GLN C C 173.94 0.12 1 1069 . 113 GLN CA C 58.24 0.12 1 1070 . 113 GLN CB C 28.32 0.12 1 1071 . 113 GLN N N 122.05 0.15 1 1072 . 113 GLN NE2 N 111.89 0.15 1 1073 . 114 LYS H H 8.12 0.03 1 1074 . 114 LYS HA H 4.04 0.03 1 1075 . 114 LYS HB2 H 1.87 0.03 1 1076 . 114 LYS HB3 H 1.87 0.03 1 1077 . 114 LYS HG2 H 1.75 0.03 1 1078 . 114 LYS HG3 H 1.75 0.03 1 1079 . 114 LYS HD2 H 1.50 0.03 1 1080 . 114 LYS HD3 H 1.50 0.03 1 1081 . 114 LYS HE2 H 3.02 0.03 1 1082 . 114 LYS HE3 H 3.02 0.03 1 1083 . 114 LYS C C 174.38 0.12 1 1084 . 114 LYS CA C 58.39 0.12 1 1085 . 114 LYS CB C 31.62 0.12 1 1086 . 114 LYS N N 120.12 0.15 1 1087 . 115 ALA H H 7.82 0.03 1 1088 . 115 ALA HA H 4.26 0.03 1 1089 . 115 ALA HB H 1.54 0.03 1 1090 . 115 ALA C C 171.15 0.12 1 1091 . 115 ALA CA C 54.41 0.12 1 1092 . 115 ALA CB C 17.87 0.12 1 1093 . 115 ALA N N 120.80 0.15 1 1094 . 116 ILE H H 7.76 0.03 1 1095 . 116 ILE HA H 3.82 0.03 1 1096 . 116 ILE HB H 1.88 0.03 1 1097 . 116 ILE HG12 H 1.75 0.03 2 1098 . 116 ILE HG13 H 1.13 0.03 2 1099 . 116 ILE HG2 H 0.71 0.03 1 1100 . 116 ILE HD1 H 0.89 0.03 1 1101 . 116 ILE C C 174.00 0.12 1 1102 . 116 ILE CA C 64.70 0.12 1 1103 . 116 ILE CB C 37.54 0.12 1 1104 . 116 ILE CD1 C 13.41 0.12 1 1105 . 116 ILE N N 118.95 0.15 1 1106 . 117 GLN H H 8.20 0.03 1 1107 . 117 GLN HA H 3.90 0.03 1 1108 . 117 GLN HB2 H 2.29 0.03 1 1109 . 117 GLN HB3 H 2.29 0.03 1 1110 . 117 GLN HG2 H 2.77 0.03 1 1111 . 117 GLN HG3 H 2.77 0.03 1 1112 . 117 GLN HE21 H 7.81 0.03 2 1113 . 117 GLN HE22 H 6.94 0.03 2 1114 . 117 GLN C C 173.64 0.12 1 1115 . 117 GLN CA C 58.82 0.12 1 1116 . 117 GLN CB C 28.24 0.12 1 1117 . 117 GLN N N 118.63 0.15 1 1118 . 117 GLN NE2 N 110.63 0.15 1 1119 . 118 ASP H H 8.40 0.03 1 1120 . 118 ASP HA H 4.40 0.03 1 1121 . 118 ASP HB2 H 2.70 0.03 1 1122 . 118 ASP HB3 H 2.88 0.03 1 1123 . 118 ASP C C 172.32 0.12 1 1124 . 118 ASP CA C 56.96 0.12 1 1125 . 118 ASP CB C 39.77 0.12 1 1126 . 118 ASP N N 118.01 0.15 1 1127 . 119 GLU H H 7.96 0.03 1 1128 . 119 GLU HA H 4.21 0.03 1 1129 . 119 GLU HB2 H 2.37 0.03 2 1130 . 119 GLU HB3 H 2.24 0.03 2 1131 . 119 GLU HG2 H 2.65 0.03 1 1132 . 119 GLU HG3 H 2.65 0.03 1 1133 . 119 GLU C C 172.77 0.12 1 1134 . 119 GLU CA C 58.70 0.12 1 1135 . 119 GLU CB C 28.82 0.12 1 1136 . 119 GLU N N 120.71 0.15 1 1137 . 120 ILE H H 8.11 0.03 1 1138 . 120 ILE HA H 3.53 0.03 1 1139 . 120 ILE HB H 1.97 0.03 1 1140 . 120 ILE HG12 H 1.05 0.03 1 1141 . 120 ILE HG13 H 1.05 0.03 1 1142 . 120 ILE HG2 H 0.88 0.03 1 1143 . 120 ILE HD1 H 0.59 0.03 1 1144 . 120 ILE C C 174.95 0.12 1 1145 . 120 ILE CA C 61.99 0.12 1 1146 . 120 ILE CB C 35.28 0.12 1 1147 . 120 ILE CG2 C 19.04 0.12 1 1148 . 120 ILE CD1 C 13.69 0.12 1 1149 . 120 ILE N N 118.86 0.15 1 1150 . 121 ARG H H 8.05 0.03 1 1151 . 121 ARG HA H 3.81 0.03 1 1152 . 121 ARG HB2 H 1.86 0.03 1 1153 . 121 ARG HB3 H 1.86 0.03 1 1154 . 121 ARG HD2 H 3.25 0.03 1 1155 . 121 ARG HD3 H 3.25 0.03 1 1156 . 121 ARG C C 172.70 0.12 1 1157 . 121 ARG CA C 59.78 0.12 1 1158 . 121 ARG CB C 29.32 0.12 1 1159 . 121 ARG N N 121.53 0.15 1 1160 . 122 SER H H 7.71 0.03 1 1161 . 122 SER HA H 4.27 0.03 1 1162 . 122 SER HB2 H 4.16 0.03 1 1163 . 122 SER HB3 H 4.16 0.03 1 1164 . 122 SER C C 174.59 0.12 1 1165 . 122 SER CA C 60.83 0.12 1 1166 . 122 SER CB C 62.92 0.12 1 1167 . 122 SER N N 113.59 0.15 1 1168 . 123 VAL H H 8.13 0.03 1 1169 . 123 VAL HA H 3.65 0.03 1 1170 . 123 VAL HB H 2.27 0.03 1 1171 . 123 VAL HG1 H 0.94 0.03 1 1172 . 123 VAL HG2 H 1.14 0.03 1 1173 . 123 VAL C C 174.21 0.12 1 1174 . 123 VAL CA C 66.90 0.12 1 1175 . 123 VAL CB C 31.56 0.12 1 1176 . 123 VAL CG1 C 20.72 0.12 1 1177 . 123 VAL CG2 C 23.82 0.12 1 1178 . 123 VAL N N 123.75 0.15 1 1179 . 124 ILE H H 8.12 0.03 1 1180 . 124 ILE HA H 3.81 0.03 1 1181 . 124 ILE HB H 2.06 0.03 1 1182 . 124 ILE HG12 H 1.68 0.03 2 1183 . 124 ILE HG13 H 1.34 0.03 2 1184 . 124 ILE HG2 H 0.92 0.03 1 1185 . 124 ILE HD1 H 0.67 0.03 1 1186 . 124 ILE C C 171.82 0.12 1 1187 . 124 ILE CA C 62.47 0.12 1 1188 . 124 ILE CB C 34.78 0.12 1 1189 . 124 ILE CG2 C 17.35 0.12 1 1190 . 124 ILE CD1 C 8.91 0.12 1 1191 . 124 ILE N N 116.93 0.15 1 1192 . 125 ARG H H 8.71 0.03 1 1193 . 125 ARG HA H 4.11 0.03 1 1194 . 125 ARG HB2 H 2.05 0.03 1 1195 . 125 ARG HB3 H 2.05 0.03 1 1196 . 125 ARG HG2 H 1.77 0.03 2 1197 . 125 ARG HG3 H 1.67 0.03 2 1198 . 125 ARG HD2 H 3.27 0.03 1 1199 . 125 ARG HD3 H 3.27 0.03 1 1200 . 125 ARG C C 172.71 0.12 1 1201 . 125 ARG CA C 59.59 0.12 1 1202 . 125 ARG CB C 29.32 0.12 1 1203 . 125 ARG N N 123.02 0.15 1 1204 . 126 GLN H H 8.41 0.03 1 1205 . 126 GLN HA H 4.21 0.03 1 1206 . 126 GLN HB2 H 2.40 0.03 1 1207 . 126 GLN HB3 H 2.40 0.03 1 1208 . 126 GLN HG2 H 2.73 0.03 1 1209 . 126 GLN HG3 H 2.73 0.03 1 1210 . 126 GLN HE21 H 7.25 0.03 2 1211 . 126 GLN HE22 H 7.08 0.03 2 1212 . 126 GLN C C 172.02 0.12 1 1213 . 126 GLN CA C 59.05 0.12 1 1214 . 126 GLN CB C 29.57 0.12 1 1215 . 126 GLN N N 119.42 0.15 1 1216 . 126 GLN NE2 N 111.92 0.15 1 1217 . 127 ILE H H 8.29 0.03 1 1218 . 127 ILE HA H 3.94 0.03 1 1219 . 127 ILE HB H 2.02 0.03 1 1220 . 127 ILE HG2 H 0.70 0.03 1 1221 . 127 ILE HD1 H 0.92 0.03 1 1222 . 127 ILE C C 174.36 0.12 1 1223 . 127 ILE CA C 66.28 0.12 1 1224 . 127 ILE CB C 38.18 0.12 1 1225 . 127 ILE CG2 C 16.79 0.12 1 1226 . 127 ILE CD1 C 15.10 0.12 1 1227 . 127 ILE N N 122.41 0.15 1 1228 . 128 THR H H 8.56 0.03 1 1229 . 128 THR HA H 4.28 0.03 1 1230 . 128 THR HG2 H 1.27 0.03 1 1231 . 128 THR C C 175.23 0.12 1 1232 . 128 THR CA C 65.61 0.12 1 1233 . 128 THR CB C 69.12 0.12 1 1234 . 128 THR CG2 C 21.56 0.12 1 1235 . 128 THR N N 116.11 0.15 1 1236 . 129 ALA H H 8.60 0.03 1 1237 . 129 ALA HA H 4.14 0.03 1 1238 . 129 ALA HB H 1.55 0.03 1 1239 . 129 ALA C C 171.82 0.12 1 1240 . 129 ALA CA C 54.50 0.12 1 1241 . 129 ALA CB C 17.90 0.12 1 1242 . 129 ALA N N 122.70 0.15 1 1243 . 130 THR H H 7.79 0.03 1 1244 . 130 THR HA H 4.02 0.03 1 1245 . 130 THR HG2 H 0.69 0.03 1 1246 . 130 THR C C 175.71 0.12 1 1247 . 130 THR CA C 65.85 0.12 1 1248 . 130 THR CB C 68.63 0.12 1 1249 . 130 THR CG2 C 21.85 0.12 1 1250 . 130 THR N N 114.33 0.15 1 1251 . 131 VAL H H 8.11 0.03 1 1252 . 131 VAL HA H 4.47 0.03 1 1253 . 131 VAL HB H 2.46 0.03 1 1254 . 131 VAL HG1 H 1.07 0.03 1 1255 . 131 VAL HG2 H 1.07 0.03 1 1256 . 131 VAL C C 174.29 0.12 1 1257 . 131 VAL CA C 64.56 0.12 1 1258 . 131 VAL N N 116.93 0.15 1 1259 . 132 THR H H 7.55 0.03 1 1260 . 132 THR HA H 3.91 0.03 1 1261 . 132 THR HG2 H 0.91 0.03 1 1262 . 132 THR C C 177.07 0.12 1 1263 . 132 THR CA C 65.15 0.12 1 1264 . 132 THR CB C 69.12 0.12 1 1265 . 132 THR CG2 C 21.57 0.12 1 1266 . 132 THR N N 113.41 0.15 1 1267 . 133 PHE H H 7.59 0.03 1 1268 . 133 PHE HA H 4.62 0.03 1 1269 . 133 PHE HB2 H 2.92 0.03 1 1270 . 133 PHE HB3 H 3.28 0.03 1 1271 . 133 PHE C C 176.33 0.12 1 1272 . 133 PHE CA C 57.65 0.12 1 1273 . 133 PHE CB C 39.00 0.12 1 1274 . 133 PHE N N 117.10 0.15 1 1275 . 134 LEU H H 7.62 0.03 1 1276 . 134 LEU HA H 4.70 0.03 1 1277 . 134 LEU HG H 1.66 0.03 1 1278 . 134 LEU HD1 H 0.79 0.03 1 1279 . 134 LEU HD2 H 0.71 0.03 1 1280 . 134 LEU C C 177.15 0.12 1 1281 . 134 LEU CA C 52.17 0.12 1 1282 . 134 LEU CB C 40.99 0.12 1 1283 . 134 LEU CD1 C 22.89 0.12 1 1284 . 134 LEU CD2 C 22.89 0.12 1 1285 . 134 LEU N N 121.47 0.15 1 1286 . 135 PRO HA H 4.63 0.03 1 1287 . 135 PRO HB2 H 2.34 0.03 1 1288 . 135 PRO HB3 H 2.34 0.03 1 1289 . 135 PRO HG2 H 2.00 0.03 1 1290 . 135 PRO HG3 H 2.00 0.03 1 1291 . 135 PRO HD2 H 3.65 0.03 1 1292 . 135 PRO HD3 H 3.78 0.03 1 1293 . 135 PRO C C 175.00 0.12 1 1294 . 135 PRO CA C 61.77 0.12 1 1295 . 135 PRO CB C 31.62 0.12 1 1296 . 136 LEU H H 8.38 0.03 1 1297 . 136 LEU HA H 4.09 0.03 1 1298 . 136 LEU HB2 H 1.61 0.03 1 1299 . 136 LEU HB3 H 1.61 0.03 1 1300 . 136 LEU HG H 1.67 0.03 1 1301 . 136 LEU HD1 H 0.87 0.03 1 1302 . 136 LEU HD2 H 0.87 0.03 1 1303 . 136 LEU C C 174.70 0.12 1 1304 . 136 LEU CA C 55.24 0.12 1 1305 . 136 LEU CB C 41.62 0.12 1 1306 . 136 LEU N N 121.73 0.15 1 1307 . 137 LEU H H 8.49 0.03 1 1308 . 137 LEU HA H 4.39 0.03 1 1309 . 137 LEU HB2 H 1.69 0.03 1 1310 . 137 LEU HB3 H 1.69 0.03 1 1311 . 137 LEU HD1 H 0.94 0.03 1 1312 . 137 LEU HD2 H 0.94 0.03 1 1313 . 137 LEU C C 175.08 0.12 1 1314 . 137 LEU CA C 55.17 0.12 1 1315 . 137 LEU CB C 41.54 0.12 1 1316 . 137 LEU N N 125.28 0.15 1 1317 . 138 GLU H H 8.87 0.03 1 1318 . 138 GLU HA H 4.46 0.03 1 1319 . 138 GLU HB2 H 1.86 0.03 1 1320 . 138 GLU HB3 H 1.86 0.03 1 1321 . 138 GLU HG2 H 2.14 0.03 1 1322 . 138 GLU HG3 H 2.14 0.03 1 1323 . 138 GLU C C 176.45 0.12 1 1324 . 138 GLU CA C 55.21 0.12 1 1325 . 138 GLU CB C 30.55 0.12 1 1326 . 138 GLU N N 122.85 0.15 1 1327 . 139 VAL H H 6.92 0.03 1 1328 . 139 VAL HA H 4.65 0.03 1 1329 . 139 VAL HB H 2.36 0.03 1 1330 . 139 VAL HG1 H 0.94 0.03 1 1331 . 139 VAL HG2 H 0.81 0.03 1 1332 . 139 VAL C C 177.20 0.12 1 1333 . 139 VAL CA C 58.63 0.12 1 1334 . 139 VAL CB C 34.08 0.12 1 1335 . 139 VAL CG1 C 21.85 0.12 1 1336 . 139 VAL CG2 C 18.75 0.12 1 1337 . 139 VAL N N 111.86 0.15 1 1338 . 140 SER H H 8.30 0.03 1 1339 . 140 SER HA H 4.96 0.03 1 1340 . 140 SER HB2 H 3.82 0.03 1 1341 . 140 SER HB3 H 3.87 0.03 1 1342 . 140 SER C C 177.20 0.12 1 1343 . 140 SER CA C 58.93 0.12 1 1344 . 140 SER CB C 63.27 0.12 1 1345 . 140 SER N N 116.02 0.15 1 1346 . 141 CYS H H 9.08 0.03 1 1347 . 141 CYS HA H 6.02 0.03 1 1348 . 141 CYS HB2 H 3.07 0.03 2 1349 . 141 CYS HB3 H 2.73 0.03 2 1350 . 141 CYS C C 178.75 0.12 1 1351 . 141 CYS CA C 56.13 0.12 1 1352 . 141 CYS CB C 33.59 0.12 1 1353 . 141 CYS N N 118.33 0.15 1 1354 . 142 SER H H 9.07 0.03 1 1355 . 142 SER HA H 5.26 0.03 1 1356 . 142 SER HB2 H 3.64 0.03 1 1357 . 142 SER HB3 H 3.87 0.03 1 1358 . 142 SER C C 178.41 0.12 1 1359 . 142 SER CA C 55.67 0.12 1 1360 . 142 SER CB C 65.65 0.12 1 1361 . 142 SER N N 114.67 0.15 1 1362 . 143 PHE H H 9.03 0.03 1 1363 . 143 PHE HA H 5.27 0.03 1 1364 . 143 PHE HD1 H 6.75 0.03 1 1365 . 143 PHE HD2 H 6.75 0.03 1 1366 . 143 PHE HE1 H 6.83 0.03 1 1367 . 143 PHE HE2 H 6.83 0.03 1 1368 . 143 PHE C C 177.06 0.12 1 1369 . 143 PHE CA C 55.55 0.12 1 1370 . 143 PHE CB C 41.05 0.12 1 1371 . 143 PHE N N 124.02 0.15 1 1372 . 144 ASP H H 8.95 0.03 1 1373 . 144 ASP HA H 5.58 0.03 1 1374 . 144 ASP HB2 H 2.42 0.03 1 1375 . 144 ASP HB3 H 2.55 0.03 1 1376 . 144 ASP C C 178.13 0.12 1 1377 . 144 ASP CA C 53.21 0.12 1 1378 . 144 ASP CB C 43.26 0.12 1 1379 . 144 ASP N N 124.19 0.15 1 1380 . 145 LEU H H 9.50 0.03 1 1381 . 145 LEU HA H 5.37 0.03 1 1382 . 145 LEU HG H 1.23 0.03 1 1383 . 145 LEU C C 178.31 0.12 1 1384 . 145 LEU CA C 53.28 0.12 1 1385 . 145 LEU CB C 43.02 0.12 1 1386 . 145 LEU N N 125.69 0.15 1 1387 . 146 LEU H H 10.04 0.03 1 1388 . 146 LEU HA H 5.12 0.03 1 1389 . 146 LEU HB2 H 1.14 0.03 1 1390 . 146 LEU HB3 H 1.14 0.03 1 1391 . 146 LEU HG H 1.68 0.03 1 1392 . 146 LEU HD1 H 0.88 0.03 1 1393 . 146 LEU HD2 H 0.72 0.03 1 1394 . 146 LEU C C 176.01 0.12 1 1395 . 146 LEU CA C 53.68 0.12 1 1396 . 146 LEU CB C 42.56 0.12 1 1397 . 146 LEU CD1 C 26.06 0.12 1 1398 . 146 LEU CD2 C 24.94 0.12 1 1399 . 146 LEU N N 129.20 0.15 1 1400 . 147 ILE H H 8.85 0.03 1 1401 . 147 ILE HA H 4.46 0.03 1 1402 . 147 ILE HB H 2.00 0.03 1 1403 . 147 ILE HG12 H 1.81 0.03 1 1404 . 147 ILE HG13 H 1.81 0.03 1 1405 . 147 ILE HG2 H 0.77 0.03 1 1406 . 147 ILE HD1 H 0.96 0.03 1 1407 . 147 ILE C C 176.94 0.12 1 1408 . 147 ILE CA C 60.36 0.12 1 1409 . 147 ILE CB C 37.77 0.12 1 1410 . 147 ILE CD1 C 14.25 0.12 1 1411 . 147 ILE N N 123.46 0.15 1 1412 . 148 TYR H H 8.62 0.03 1 1413 . 148 TYR HA H 5.52 0.03 1 1414 . 148 TYR HB2 H 2.76 0.03 1 1415 . 148 TYR HB3 H 3.18 0.03 1 1416 . 148 TYR HD1 H 7.01 0.03 1 1417 . 148 TYR HD2 H 7.01 0.03 1 1418 . 148 TYR HE1 H 6.59 0.03 1 1419 . 148 TYR HE2 H 6.59 0.03 1 1420 . 148 TYR C C 175.83 0.12 1 1421 . 148 TYR CA C 57.30 0.12 1 1422 . 148 TYR CB C 38.26 0.12 1 1423 . 148 TYR N N 127.30 0.15 1 1424 . 149 THR H H 8.63 0.03 1 1425 . 149 THR HA H 5.22 0.03 1 1426 . 149 THR HB H 4.02 0.03 1 1427 . 149 THR HG2 H 0.78 0.03 1 1428 . 149 THR C C 179.20 0.12 1 1429 . 149 THR CA C 59.16 0.12 1 1430 . 149 THR CB C 71.36 0.12 1 1431 . 149 THR CG2 C 20.16 0.12 1 1432 . 149 THR N N 116.08 0.15 1 1433 . 150 ASP H H 8.27 0.03 1 1434 . 150 ASP HB2 H 2.80 0.03 2 1435 . 150 ASP HB3 H 2.60 0.03 2 1436 . 150 ASP C C 174.88 0.12 1 1437 . 150 ASP CA C 53.47 0.12 1 1438 . 150 ASP CB C 41.49 0.12 1 1439 . 150 ASP N N 121.32 0.15 1 1440 . 151 LYS H H 8.48 0.03 1 1441 . 151 LYS C C 176.05 0.12 1 1442 . 151 LYS CA C 55.90 0.12 1 1443 . 151 LYS CB C 41.38 0.12 1 1444 . 151 LYS N N 120.88 0.15 1 1445 . 152 ASP H H 8.21 0.03 1 1446 . 152 ASP HA H 3.90 0.03 1 1447 . 152 ASP HB2 H 2.52 0.03 1 1448 . 152 ASP HB3 H 2.52 0.03 1 1449 . 152 ASP C C 176.24 0.12 1 1450 . 152 ASP CA C 53.66 0.12 1 1451 . 152 ASP CB C 40.06 0.12 1 1452 . 152 ASP N N 118.39 0.15 1 1453 . 153 LEU H H 7.27 0.03 1 1454 . 153 LEU HA H 4.08 0.03 1 1455 . 153 LEU HG H 1.08 0.03 1 1456 . 153 LEU HD1 H 0.11 0.03 1 1457 . 153 LEU HD2 H 0.04 0.03 1 1458 . 153 LEU C C 175.69 0.12 1 1459 . 153 LEU CA C 54.62 0.12 1 1460 . 153 LEU CB C 42.01 0.12 1 1461 . 153 LEU CD1 C 23.25 0.12 1 1462 . 153 LEU CD2 C 23.53 0.12 1 1463 . 153 LEU N N 122.61 0.15 1 1464 . 154 VAL H H 8.23 0.03 1 1465 . 154 VAL HA H 4.03 0.03 1 1466 . 154 VAL HB H 1.96 0.03 1 1467 . 154 VAL HG1 H 0.95 0.03 1 1468 . 154 VAL HG2 H 0.86 0.03 1 1469 . 154 VAL C C 175.94 0.12 1 1470 . 154 VAL CA C 61.65 0.12 1 1471 . 154 VAL CB C 31.38 0.12 1 1472 . 154 VAL CG1 C 21.57 0.12 1 1473 . 154 VAL CG2 C 21.57 0.12 1 1474 . 154 VAL N N 125.22 0.15 1 1475 . 155 VAL H H 8.32 0.03 1 1476 . 155 VAL HA H 4.31 0.03 1 1477 . 155 VAL HB H 2.04 0.03 1 1478 . 155 VAL HG1 H 0.84 0.03 1 1479 . 155 VAL HG2 H 0.84 0.03 1 1480 . 155 VAL C C 177.96 0.12 1 1481 . 155 VAL CA C 59.23 0.12 1 1482 . 155 VAL CB C 31.71 0.12 1 1483 . 155 VAL N N 126.22 0.15 1 1484 . 156 PRO HA H 3.81 0.03 1 1485 . 156 PRO HB2 H 1.71 0.03 1 1486 . 156 PRO HB3 H 2.27 0.03 1 1487 . 156 PRO HG2 H 1.55 0.03 1 1488 . 156 PRO HG3 H 1.55 0.03 1 1489 . 156 PRO HD2 H 3.06 0.03 1 1490 . 156 PRO HD3 H 3.06 0.03 1 1491 . 156 PRO C C 174.47 0.12 1 1492 . 156 PRO CA C 62.57 0.12 1 1493 . 156 PRO CB C 31.61 0.12 1 1494 . 157 GLU H H 8.67 0.03 1 1495 . 157 GLU HA H 4.08 0.03 1 1496 . 157 GLU HB2 H 2.06 0.03 1 1497 . 157 GLU HB3 H 2.06 0.03 1 1498 . 157 GLU HG2 H 2.36 0.03 1 1499 . 157 GLU HG3 H 2.36 0.03 1 1500 . 157 GLU C C 173.22 0.12 1 1501 . 157 GLU CA C 59.05 0.12 1 1502 . 157 GLU CB C 29.12 0.12 1 1503 . 157 GLU N N 123.46 0.15 1 1504 . 158 LYS H H 8.46 0.03 1 1505 . 158 LYS HA H 4.24 0.03 1 1506 . 158 LYS HB2 H 1.93 0.03 1 1507 . 158 LYS HB3 H 1.93 0.03 1 1508 . 158 LYS HG2 H 1.70 0.03 1 1509 . 158 LYS HG3 H 1.70 0.03 1 1510 . 158 LYS HE2 H 2.95 0.03 1 1511 . 158 LYS HE3 H 2.95 0.03 1 1512 . 158 LYS C C 174.25 0.12 1 1513 . 158 LYS CA C 57.52 0.12 1 1514 . 158 LYS CB C 31.28 0.12 1 1515 . 158 LYS N N 116.11 0.15 1 1516 . 159 TRP H H 8.03 0.03 1 1517 . 159 TRP HA H 4.75 0.03 1 1518 . 159 TRP HB2 H 3.18 0.03 1 1519 . 159 TRP HB3 H 3.50 0.03 1 1520 . 159 TRP HD1 H 7.10 0.03 1 1521 . 159 TRP HE1 H 10.32 0.03 1 1522 . 159 TRP HE3 H 7.70 0.03 1 1523 . 159 TRP C C 175.38 0.12 1 1524 . 159 TRP CA C 57.40 0.12 1 1525 . 159 TRP CB C 29.12 0.12 1 1526 . 159 TRP N N 119.18 0.15 1 1527 . 159 TRP NE1 N 128.79 0.15 1 1528 . 160 GLU H H 7.91 0.03 1 1529 . 160 GLU HA H 4.24 0.03 1 1530 . 160 GLU HB2 H 2.07 0.03 1 1531 . 160 GLU HB3 H 2.07 0.03 1 1532 . 160 GLU HG2 H 2.25 0.03 1 1533 . 160 GLU HG3 H 2.34 0.03 1 1534 . 160 GLU C C 174.44 0.12 1 1535 . 160 GLU CA C 57.52 0.12 1 1536 . 160 GLU CB C 29.62 0.12 1 1537 . 160 GLU N N 118.83 0.15 1 1538 . 161 GLU H H 8.16 0.03 1 1539 . 161 GLU HA H 4.24 0.03 1 1540 . 161 GLU HB2 H 2.11 0.03 1 1541 . 161 GLU HB3 H 2.11 0.03 1 1542 . 161 GLU HG2 H 2.30 0.03 1 1543 . 161 GLU HG3 H 2.30 0.03 1 1544 . 161 GLU C C 174.94 0.12 1 1545 . 161 GLU CA C 57.67 0.12 1 1546 . 161 GLU CB C 29.62 0.12 1 1547 . 161 GLU N N 119.01 0.15 1 1548 . 162 SER H H 8.08 0.03 1 1549 . 162 SER HA H 4.51 0.03 1 1550 . 162 SER HB2 H 3.91 0.03 1 1551 . 162 SER HB3 H 3.91 0.03 1 1552 . 162 SER C C 177.63 0.12 1 1553 . 162 SER CA C 58.11 0.12 1 1554 . 162 SER CB C 63.66 0.12 1 1555 . 162 SER N N 113.59 0.15 1 1556 . 163 GLY H H 8.05 0.03 1 1557 . 163 GLY HA2 H 4.08 0.03 2 1558 . 163 GLY HA3 H 3.82 0.03 2 1559 . 163 GLY C C 180.14 0.12 1 1560 . 163 GLY CA C 44.07 0.12 1 1561 . 163 GLY N N 110.60 0.15 1 1562 . 165 GLN HE21 H 7.68 0.03 2 1563 . 165 GLN HE22 H 6.88 0.03 2 1564 . 165 GLN NE2 N 112.04 0.15 1 1565 . 166 PHE H H 7.49 0.03 1 1566 . 166 PHE HA H 4.61 0.03 1 1567 . 166 PHE HB2 H 2.05 0.03 1 1568 . 166 PHE HB3 H 2.28 0.03 1 1569 . 166 PHE HD1 H 6.80 0.03 1 1570 . 166 PHE HD2 H 6.80 0.03 1 1571 . 166 PHE HE1 H 7.04 0.03 1 1572 . 166 PHE HE2 H 7.04 0.03 1 1573 . 166 PHE HZ H 7.27 0.03 1 1574 . 167 ILE H H 7.68 0.03 1 1575 . 167 ILE HA H 4.41 0.03 1 1576 . 167 ILE HB H 1.61 0.03 1 1577 . 167 ILE HG12 H 1.27 0.03 2 1578 . 167 ILE HG13 H 0.98 0.03 2 1579 . 167 ILE HG2 H 0.79 0.03 1 1580 . 167 ILE HD1 H 0.74 0.03 1 1581 . 167 ILE C C 177.26 0.12 1 1582 . 167 ILE CA C 58.63 0.12 1 1583 . 167 ILE CB C 40.26 0.12 1 1584 . 167 ILE CG2 C 17.91 0.12 1 1585 . 167 ILE CD1 C 12.85 0.12 1 1586 . 167 ILE N N 124.61 0.15 1 1587 . 168 THR H H 7.47 0.03 1 1588 . 168 THR HA H 4.26 0.03 1 1589 . 168 THR HG2 H 1.06 0.03 1 1590 . 168 THR C C 179.57 0.12 1 1591 . 168 THR CA C 59.99 0.12 1 1592 . 168 THR CB C 69.40 0.12 1 1593 . 168 THR CG2 C 21.00 0.12 1 1594 . 168 THR N N 116.46 0.15 1 1595 . 169 ASN H H 8.23 0.03 1 1596 . 169 ASN HA H 4.85 0.03 1 1597 . 169 ASN HB2 H 2.62 0.03 1 1598 . 169 ASN HB3 H 2.78 0.03 1 1599 . 169 ASN HD21 H 7.50 0.03 2 1600 . 169 ASN HD22 H 6.72 0.03 2 1601 . 169 ASN C C 176.94 0.12 1 1602 . 169 ASN CA C 52.39 0.12 1 1603 . 169 ASN CB C 39.27 0.12 1 1604 . 169 ASN N N 121.32 0.15 1 1605 . 169 ASN ND2 N 111.77 0.15 1 1606 . 170 SER H H 8.11 0.03 1 1607 . 170 SER HA H 4.47 0.03 1 1608 . 170 SER HB2 H 3.76 0.03 1 1609 . 170 SER HB3 H 4.07 0.03 1 1610 . 170 SER C C 176.01 0.12 1 1611 . 170 SER CA C 58.00 0.12 1 1612 . 170 SER CB C 63.72 0.12 1 1613 . 170 SER N N 116.58 0.15 1 1614 . 171 GLU H H 8.97 0.03 1 1615 . 171 GLU HA H 4.05 0.03 1 1616 . 171 GLU HB2 H 2.05 0.03 1 1617 . 171 GLU HB3 H 2.05 0.03 1 1618 . 171 GLU HG2 H 2.33 0.03 1 1619 . 171 GLU HG3 H 2.33 0.03 1 1620 . 171 GLU C C 174.76 0.12 1 1621 . 171 GLU CA C 58.27 0.12 1 1622 . 171 GLU CB C 29.31 0.12 1 1623 . 171 GLU N N 125.78 0.15 1 1624 . 172 GLU H H 8.59 0.03 1 1625 . 172 GLU HA H 4.18 0.03 1 1626 . 172 GLU HB2 H 2.20 0.03 1 1627 . 172 GLU HB3 H 2.20 0.03 1 1628 . 172 GLU HG2 H 1.95 0.03 1 1629 . 172 GLU HG3 H 1.95 0.03 1 1630 . 172 GLU C C 176.75 0.12 1 1631 . 172 GLU CA C 56.60 0.12 1 1632 . 172 GLU CB C 29.07 0.12 1 1633 . 172 GLU N N 116.21 0.15 1 1634 . 173 VAL H H 7.14 0.03 1 1635 . 173 VAL HA H 4.12 0.03 1 1636 . 173 VAL HB H 1.85 0.03 1 1637 . 173 VAL HG1 H 0.58 0.03 1 1638 . 173 VAL HG2 H 0.83 0.03 1 1639 . 173 VAL C C 174.42 0.12 1 1640 . 173 VAL CA C 60.70 0.12 1 1641 . 173 VAL CB C 33.10 0.12 1 1642 . 173 VAL CG1 C 21.00 0.12 1 1643 . 173 VAL CG2 C 22.13 0.12 1 1644 . 173 VAL N N 118.25 0.15 1 1645 . 174 ARG H H 8.66 0.03 1 1646 . 174 ARG HA H 4.23 0.03 1 1647 . 174 ARG HD2 H 3.05 0.03 1 1648 . 174 ARG HD3 H 3.05 0.03 1 1649 . 174 ARG C C 175.57 0.12 1 1650 . 174 ARG CA C 56.67 0.12 1 1651 . 174 ARG CB C 30.06 0.12 1 1652 . 174 ARG N N 122.41 0.15 1 1653 . 175 LEU H H 6.27 0.03 1 1654 . 175 LEU HA H 4.37 0.03 1 1655 . 175 LEU HG H 1.37 0.03 1 1656 . 175 LEU HD1 H 0.58 0.03 1 1657 . 175 LEU HD2 H 0.83 0.03 1 1658 . 175 LEU C C 176.63 0.12 1 1659 . 175 LEU CA C 54.94 0.12 1 1660 . 175 LEU CB C 41.79 0.12 1 1661 . 175 LEU CD1 C 25.00 0.12 1 1662 . 175 LEU CD2 C 26.91 0.12 1 1663 . 175 LEU N N 119.45 0.15 1 1664 . 176 ARG H H 8.90 0.03 1 1665 . 176 ARG HA H 4.92 0.03 1 1666 . 176 ARG HD2 H 3.53 0.03 2 1667 . 176 ARG HD3 H 3.24 0.03 2 1668 . 176 ARG C C 175.32 0.12 1 1669 . 176 ARG CA C 53.97 0.12 1 1670 . 176 ARG CB C 31.05 0.12 1 1671 . 176 ARG N N 121.71 0.15 1 1672 . 177 SER H H 7.12 0.03 1 1673 . 177 SER HA H 5.32 0.03 1 1674 . 177 SER C C 179.82 0.12 1 1675 . 177 SER CA C 56.36 0.12 1 1676 . 177 SER CB C 64.91 0.12 1 1677 . 177 SER N N 109.25 0.15 1 1678 . 178 PHE H H 9.22 0.03 1 1679 . 178 PHE HA H 5.88 0.03 1 1680 . 178 PHE HD1 H 7.17 0.03 1 1681 . 178 PHE HD2 H 7.17 0.03 1 1682 . 178 PHE HE1 H 7.25 0.03 1 1683 . 178 PHE HE2 H 7.25 0.03 1 1684 . 178 PHE C C 177.00 0.12 1 1685 . 178 PHE CA C 54.74 0.12 1 1686 . 178 PHE CB C 43.02 0.12 1 1687 . 178 PHE N N 129.18 0.15 1 1688 . 179 THR H H 8.86 0.03 1 1689 . 179 THR HA H 5.05 0.03 1 1690 . 179 THR HB H 4.25 0.03 1 1691 . 179 THR HG2 H 1.25 0.03 1 1692 . 179 THR C C 178.69 0.12 1 1693 . 179 THR CA C 61.74 0.12 1 1694 . 179 THR CB C 71.06 0.12 1 1695 . 179 THR CG2 C 21.85 0.12 1 1696 . 179 THR N N 120.85 0.15 1 1697 . 180 THR H H 8.08 0.03 1 1698 . 180 THR HA H 5.64 0.03 1 1699 . 180 THR HB H 3.77 0.03 1 1700 . 180 THR HG2 H 1.33 0.03 1 1701 . 180 THR C C 178.39 0.12 1 1702 . 180 THR CA C 62.59 0.12 1 1703 . 180 THR CB C 70.41 0.12 1 1704 . 180 THR CG2 C 22.69 0.12 1 1705 . 180 THR N N 122.79 0.15 1 1706 . 181 THR H H 9.26 0.03 1 1707 . 181 THR HA H 4.76 0.03 1 1708 . 181 THR HB H 3.94 0.03 1 1709 . 181 THR HG2 H 1.15 0.03 1 1710 . 181 THR C C 179.01 0.12 1 1711 . 181 THR CA C 60.70 0.12 1 1712 . 181 THR CB C 72.13 0.12 1 1713 . 181 THR CG2 C 22.13 0.12 1 1714 . 181 THR N N 119.89 0.15 1 1715 . 182 ILE H H 8.71 0.03 1 1716 . 182 ILE HA H 4.59 0.03 1 1717 . 182 ILE HB H 1.76 0.03 1 1718 . 182 ILE HG12 H 1.45 0.03 2 1719 . 182 ILE HG13 H 1.18 0.03 2 1720 . 182 ILE HG2 H 0.68 0.03 1 1721 . 182 ILE HD1 H 0.68 0.03 1 1722 . 182 ILE C C 176.71 0.12 1 1723 . 182 ILE CA C 59.67 0.12 1 1724 . 182 ILE CB C 37.77 0.12 1 1725 . 182 ILE CG2 C 18.75 0.12 1 1726 . 182 ILE CD1 C 13.69 0.12 1 1727 . 182 ILE N N 124.58 0.15 1 1728 . 183 HIS H H 9.03 0.03 1 1729 . 183 HIS HA H 4.55 0.03 1 1730 . 183 HIS HB2 H 1.96 0.03 1 1731 . 183 HIS HB3 H 2.52 0.03 1 1732 . 183 HIS HD2 H 6.20 0.03 1 1733 . 183 HIS HE1 H 7.84 0.03 1 1734 . 183 HIS C C 178.63 0.12 1 1735 . 183 HIS CA C 54.36 0.12 1 1736 . 183 HIS CB C 31.87 0.12 1 1737 . 183 HIS N N 128.44 0.15 1 1738 . 184 LYS H H 8.41 0.03 1 1739 . 184 LYS HA H 4.73 0.03 1 1740 . 184 LYS HB2 H 1.29 0.03 2 1741 . 184 LYS HB3 H 1.22 0.03 2 1742 . 184 LYS HG2 H 1.62 0.03 2 1743 . 184 LYS HG3 H 1.58 0.03 2 1744 . 184 LYS HE2 H 2.74 0.03 2 1745 . 184 LYS HE3 H 2.83 0.03 2 1746 . 184 LYS C C 174.63 0.12 1 1747 . 184 LYS CA C 55.17 0.12 1 1748 . 184 LYS CB C 32.22 0.12 1 1749 . 184 LYS N N 124.78 0.15 1 1750 . 185 VAL H H 8.61 0.03 1 1751 . 185 VAL HA H 4.17 0.03 1 1752 . 185 VAL HB H 2.13 0.03 1 1753 . 185 VAL HG1 H 0.99 0.03 1 1754 . 185 VAL HG2 H 1.01 0.03 1 1755 . 185 VAL C C 176.25 0.12 1 1756 . 185 VAL CA C 61.77 0.12 1 1757 . 185 VAL CB C 32.55 0.12 1 1758 . 185 VAL CG1 C 21.00 0.12 1 1759 . 185 VAL CG2 C 22.13 0.12 1 1760 . 185 VAL N N 122.79 0.15 1 1761 . 186 ASN H H 8.52 0.03 1 1762 . 186 ASN HA H 4.80 0.03 1 1763 . 186 ASN HB2 H 2.74 0.03 1 1764 . 186 ASN HB3 H 2.84 0.03 1 1765 . 186 ASN HD21 H 7.60 0.03 2 1766 . 186 ASN HD22 H 6.88 0.03 2 1767 . 186 ASN C C 177.47 0.12 1 1768 . 186 ASN CA C 53.05 0.12 1 1769 . 186 ASN CB C 38.94 0.12 1 1770 . 186 ASN N N 122.07 0.15 1 1771 . 186 ASN ND2 N 112.62 0.15 1 1772 . 187 SER H H 7.88 0.03 1 1773 . 187 SER HA H 4.23 0.03 1 1774 . 187 SER HB2 H 3.83 0.03 1 1775 . 187 SER HB3 H 3.83 0.03 1 1776 . 187 SER C C 173.26 0.12 1 1777 . 187 SER CA C 59.64 0.12 1 1778 . 187 SER CB C 64.71 0.12 1 1779 . 187 SER N N 121.21 0.15 1 stop_ save_