data_5299 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; The Mad2 Spindle Checkpoint Protein Undergoes Similar Major Conformational Changes upon Binding to Either Mad1 or Cdc20 ; _BMRB_accession_number 5299 _BMRB_flat_file_name bmr5299.str _Entry_type original _Submission_date 2002-02-20 _Accession_date 2002-02-20 _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 Tang Z. . . 3 Rizo J. . . 4 Yu H. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 2 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 939 "13C chemical shifts" 749 "15N chemical shifts" 213 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2002-03-22 original author . stop_ _Original_release_date 2002-03-22 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; The Mad2 Spindle Checkpoint Protein Undergoes Similar Major Conformational Changes upon Binding to Either Mad1 or Cdc20 ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 11804586 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Luo X. . . 2 Tang Z. . . 3 Rizo J. . . 4 Yu H. . . stop_ _Journal_abbreviation 'Mol. Cell' _Journal_volume 9 _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 59 _Page_last 71 _Year 2002 _Details . loop_ _Keyword 'protein-peptide complex' 'MAD2 FAMILY' stop_ save_ ################################## # Molecular system description # ################################## save_system_Mad2 _Saveframe_category molecular_system _Mol_system_name 'MITOTIC SPINDLE ASSEMBLY CHECKPOINT PROTEIN MAD2A/PEPTIDE' _Abbreviation_common Mad2 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'MITOTIC SPINDLE ASSEMBLY CHECKPOINT PROTEIN MAD2A' $Mad2 'Mad2-binding peptide' $MBP1 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 'mitotic checkpoint protein Mad2' _Abbreviation_common Mad2 _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 197 _Mol_residue_sequence ; GSITLRGSAEIVAEFFSFGI NSILYQRGIYPSETFTRVQK YGLTLLVTTDLELIKYLNNV VEQLKDWLYKCSVQKLVVVI SNIESGEVLERWQFDIECDK TAKDDSAPREKSQKAIQDEI RSVIRQITATVTFLPLLEVS CSFDLLIYTDKDLVVPEKWE ESGPQFITNSEEVRLRSFTT TIHKVNSMVAYKIPVND ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 ILE 4 THR 5 LEU 6 ARG 7 GLY 8 SER 9 ALA 10 GLU 11 ILE 12 VAL 13 ALA 14 GLU 15 PHE 16 PHE 17 SER 18 PHE 19 GLY 20 ILE 21 ASN 22 SER 23 ILE 24 LEU 25 TYR 26 GLN 27 ARG 28 GLY 29 ILE 30 TYR 31 PRO 32 SER 33 GLU 34 THR 35 PHE 36 THR 37 ARG 38 VAL 39 GLN 40 LYS 41 TYR 42 GLY 43 LEU 44 THR 45 LEU 46 LEU 47 VAL 48 THR 49 THR 50 ASP 51 LEU 52 GLU 53 LEU 54 ILE 55 LYS 56 TYR 57 LEU 58 ASN 59 ASN 60 VAL 61 VAL 62 GLU 63 GLN 64 LEU 65 LYS 66 ASP 67 TRP 68 LEU 69 TYR 70 LYS 71 CYS 72 SER 73 VAL 74 GLN 75 LYS 76 LEU 77 VAL 78 VAL 79 VAL 80 ILE 81 SER 82 ASN 83 ILE 84 GLU 85 SER 86 GLY 87 GLU 88 VAL 89 LEU 90 GLU 91 ARG 92 TRP 93 GLN 94 PHE 95 ASP 96 ILE 97 GLU 98 CYS 99 ASP 100 LYS 101 THR 102 ALA 103 LYS 104 ASP 105 ASP 106 SER 107 ALA 108 PRO 109 ARG 110 GLU 111 LYS 112 SER 113 GLN 114 LYS 115 ALA 116 ILE 117 GLN 118 ASP 119 GLU 120 ILE 121 ARG 122 SER 123 VAL 124 ILE 125 ARG 126 GLN 127 ILE 128 THR 129 ALA 130 THR 131 VAL 132 THR 133 PHE 134 LEU 135 PRO 136 LEU 137 LEU 138 GLU 139 VAL 140 SER 141 CYS 142 SER 143 PHE 144 ASP 145 LEU 146 LEU 147 ILE 148 TYR 149 THR 150 ASP 151 LYS 152 ASP 153 LEU 154 VAL 155 VAL 156 PRO 157 GLU 158 LYS 159 TRP 160 GLU 161 GLU 162 SER 163 GLY 164 PRO 165 GLN 166 PHE 167 ILE 168 THR 169 ASN 170 SER 171 GLU 172 GLU 173 VAL 174 ARG 175 LEU 176 ARG 177 SER 178 PHE 179 THR 180 THR 181 THR 182 ILE 183 HIS 184 LYS 185 VAL 186 ASN 187 SER 188 MET 189 VAL 190 ALA 191 TYR 192 LYS 193 ILE 194 PRO 195 VAL 196 ASN 197 ASP stop_ _Sequence_homology_query_date 2008-08-19 _Sequence_homology_query_revised_last_date 2008-08-19 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 REF XP_001084989 'PREDICTED: MAD2 mitotic arrest deficient-like 1 (yeast) [Macaca mulatta]' 98.48 205 98.45 98.45 6.88e-107 SWISS-PROT Q13257 'Mitotic spindle assembly checkpoint protein MAD2A (MAD2-like 1) (HsMAD2)' 99.49 205 99.49 99.49 2.14e-109 GenBank AAH70283 'MAD2 mitotic arrest deficient-like 1 (yeast) [Homo sapiens]' 99.49 205 98.98 99.49 3.24e-109 REF NP_002349 'MAD2-like 1 [Homo sapiens]' 99.49 205 99.49 99.49 2.14e-109 GenBank AAH00356 'MAD2 mitotic arrest deficient-like 1 (yeast) [Homo sapiens]' 99.49 205 99.49 99.49 2.14e-109 GenBank AAH05945 'MAD2 mitotic arrest deficient-like 1 (yeast) [Homo sapiens]' 99.49 205 99.49 99.49 2.14e-109 GenBank AAC50781 Mad2 99.49 205 99.49 99.49 2.14e-109 GenBank AAC52060 'mitotic feedback control protein Madp2 homolog [Homo sapiens]' 99.49 205 99.49 99.49 2.14e-109 DBJ BAG36562 'unnamed protein product [Homo sapiens]' 99.49 205 99.49 99.49 2.14e-109 EMBL CAA03943 'MAD2 [Homo sapiens]' 99.49 205 99.49 99.49 2.14e-109 DBJ BAD97153 'MAD2-like 1 variant [Homo sapiens]' 99.49 205 98.98 98.98 1.07e-108 DBJ BAE01009 'unnamed protein product [Macaca fascicularis]' 99.49 205 99.49 99.49 2.14e-109 PDB 2V64 'Crystallographic Structure Of The Conformational Dimer Of The Spindle Assembly Checkpoint Protein Mad2' 99.49 213 99.49 99.49 8.83e-110 DBJ BAB63410 'MAD2 [Homo sapiens]' 99.49 205 99.49 99.49 2.14e-109 PDB 1S2H 'The Mad2 Spindle Checkpoint Protein Possesses Two Distinct Natively Folded States' 99.49 206 98.98 98.98 1.32e-108 PDB 2QYF 'Crystal Structure Of The Mad2P31(COMET)MAD2-Binding Peptide Ternary Complex' 99.49 206 98.47 98.47 5.97e-108 PDB 1GO4 'Crystal Structure Of Mad1-Mad2 Reveals A Conserved Mad2 Binding Motif In Mad1 And Cdc20' 99.49 205 98.98 98.98 1.57e-108 PDB 1KLQ 'The Mad2 Spindle Checkpoint Protein Undergoes Similar Major Conformational Changes Upon Binding To Either Mad1 Or Cdc20' 99.49 197 100.00 100.00 8.83e-110 BMRB 4775 'SPINDLE ASSEMBLY CHECKPOINT PROTEIN' 94.92 187 100.00 100.00 5.73e-104 PDB 1DUJ 'Solution Structure Of The Spindle Assembly Checkpoint Protein Human Mad2' 94.92 187 100.00 100.00 5.73e-104 stop_ save_ save_MBP1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'Mad2-binding peptide' _Abbreviation_common MBP1 _Molecular_mass . _Mol_thiol_state 'not present' _Details . _Residue_count 12 _Mol_residue_sequence SWYSYPPPQRAV loop_ _Residue_seq_code _Residue_label 1 SER 2 TRP 3 TYR 4 SER 5 TYR 6 PRO 7 PRO 8 PRO 9 GLN 10 ARG 11 ALA 12 VAL stop_ _Sequence_homology_query_date 2008-08-19 _Sequence_homology_query_revised_last_date 2005-11-22 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 BMRB 5299 'Mad2-binding peptide' 100.00 12 100 100 4.6 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Details $Mad2 Human 9606 Eukaryota Metazoa . . . $MBP1 . . . . . . 'The peptide is from the screening of a random phage display peptide library.' stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name _Details $Mad2 'recombinant technology' . . . . . . $MBP1 . . . . . . ; The unlabeled peptide is obtained from the chemical synthesis, and the labeled peptide is from the recombinant technology. ; 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 0.8 mM [U-15N] $MBP1 1 mM . 'phosphate buffer' 50 mM . KCl 0.3 M . DTT 1 mM . D2O 10 % . H2O 90 % . stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Mad2 0.8 mM '[U-15N; U-13C; U-2H]' $MBP1 1 mM . 'phosphate buffer' 50 mM . KCl 0.3 M . DTT 1 mM . D2O 10 % . H2O 90 % . stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Mad2 0.8 mM '[U-15N; U-13C]' $MBP1 1 mM . 'phosphate buffer' 50 mM . KCl 0.3 M . DTT 1 mM . D2O 10 % . H2O 90 % . stop_ save_ save_sample_4 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Mad2 0.8 mM '[U-15N; U-13C; U-60% 2H]' $MBP1 1 mM . 'phosphate buffer' 50 mM . KCl 0.3 M . DTT 1 mM . D2O 10 % . H2O 90 % . stop_ save_ save_sample_5 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Mad2 1 mM . $MBP1 0.8 mM '[U-13C; U-15N]' 'phosphate buffer' 50 mM . KCl 0.3 M . DTT 1 mM . D2O 10 % . H2O 90 % . stop_ save_ ############################ # Computer software used # ############################ save_CNS _Saveframe_category software _Name CNS _Version 0.9a loop_ _Task 'structure solution' refinement stop_ _Details 'Brunger, A.T.' save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_HNCA_1 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _Sample_label . save_ save_3D_H(CC)(CO)NH_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CC)(CO)NH' _Sample_label . save_ save_3D_15N-separated_NOESY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _Sample_label . save_ save_3D_13C-separated_NOESY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY' _Sample_label . save_ save_HN(CO)CA_5 _Saveframe_category NMR_applied_experiment _Experiment_name HN(CO)CA _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_HN(COCA)CB_7 _Saveframe_category NMR_applied_experiment _Experiment_name HN(COCA)CB _Sample_label . save_ save_HN(CA)CB_8 _Saveframe_category NMR_applied_experiment _Experiment_name HN(CA)CB _Sample_label . save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CC)(CO)NH' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_5 _Saveframe_category NMR_applied_experiment _Experiment_name HN(CO)CA _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_ save_NMR_spec_expt__0_7 _Saveframe_category NMR_applied_experiment _Experiment_name HN(COCA)CB _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_8 _Saveframe_category NMR_applied_experiment _Experiment_name HN(CA)CB _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 7.4 0.1 n/a temperature 303 0.1 K 'ionic strength' 0.3 . M pressure 1 . atm stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS 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 DSS H 2 'methyl protons' ppm 0.0 . indirect . . . 0.153506088 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_3 stop_ _Sample_conditions_label $sample_cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'MITOTIC SPINDLE ASSEMBLY CHECKPOINT PROTEIN MAD2A' _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 CA C 45.464 0.12 1 2 . 1 GLY HA2 H 3.990 0.03 2 3 . 1 GLY C C 174.240 0.12 1 4 . 2 SER N N 115.531 0.15 1 5 . 2 SER H H 8.159 0.03 1 6 . 2 SER CA C 58.386 0.12 1 7 . 2 SER CB C 64.641 0.12 1 8 . 2 SER HB2 H 3.830 0.03 2 9 . 2 SER C C 174.660 0.12 1 10 . 3 ILE N N 123.420 0.15 1 11 . 3 ILE H H 8.660 0.03 1 12 . 3 ILE CA C 59.755 0.12 1 13 . 3 ILE HA H 4.540 0.03 1 14 . 3 ILE CB C 38.243 0.12 1 15 . 3 ILE HB H 1.960 0.03 1 16 . 3 ILE HG12 H 1.620 0.03 2 17 . 3 ILE CD1 C 12.780 0.12 1 18 . 3 ILE HD1 H 0.930 0.03 1 19 . 3 ILE CG2 C 17.420 0.12 1 20 . 3 ILE HG2 H 1.020 0.03 1 21 . 3 ILE C C 175.220 0.12 1 22 . 4 THR N N 115.334 0.15 1 23 . 4 THR H H 7.703 0.03 1 24 . 4 THR CA C 59.247 0.12 1 25 . 4 THR HA H 4.080 0.03 1 26 . 4 THR CB C 72.311 0.12 1 27 . 4 THR HB H 3.890 0.03 1 28 . 4 THR CG2 C 22.140 0.12 1 29 . 4 THR HG2 H 1.300 0.03 1 30 . 4 THR C C 175.670 0.12 1 31 . 5 LEU N N 123.952 0.15 1 32 . 5 LEU H H 8.983 0.03 1 33 . 5 LEU CA C 59.760 0.12 1 34 . 5 LEU HA H 4.170 0.03 1 35 . 5 LEU CB C 41.159 0.12 1 36 . 5 LEU CD1 C 23.500 0.12 1 37 . 5 LEU HD1 H 0.890 0.03 1 38 . 5 LEU CD2 C 25.750 0.12 1 39 . 5 LEU HD2 H 0.720 0.03 1 40 . 5 LEU C C 179.350 0.12 1 41 . 6 ARG N N 117.622 0.15 1 42 . 6 ARG H H 8.874 0.03 1 43 . 6 ARG CA C 59.524 0.12 1 44 . 6 ARG HA H 4.100 0.03 1 45 . 6 ARG CB C 29.410 0.12 1 46 . 6 ARG HB2 H 1.560 0.03 2 47 . 6 ARG HG2 H 1.950 0.03 2 48 . 6 ARG HG3 H 1.800 0.03 2 49 . 6 ARG CD C 42.720 0.12 1 50 . 6 ARG HD2 H 2.990 0.03 2 51 . 6 ARG C C 179.150 0.12 1 52 . 7 GLY N N 107.934 0.15 1 53 . 7 GLY H H 8.272 0.03 1 54 . 7 GLY CA C 46.889 0.12 1 55 . 7 GLY HA2 H 3.900 0.03 2 56 . 7 GLY HA3 H 4.100 0.03 2 57 . 7 GLY C C 177.520 0.12 1 58 . 8 SER N N 115.776 0.15 1 59 . 8 SER H H 9.151 0.03 1 60 . 8 SER CA C 62.091 0.12 1 61 . 8 SER HA H 4.420 0.03 1 62 . 8 SER HB2 H 4.180 0.03 2 63 . 8 SER C C 177.010 0.12 1 64 . 9 ALA N N 119.476 0.15 1 65 . 9 ALA H H 8.410 0.03 1 66 . 9 ALA CA C 55.532 0.12 1 67 . 9 ALA HA H 3.710 0.03 1 68 . 9 ALA CB C 19.030 0.12 1 69 . 9 ALA HB H 1.750 0.03 1 70 . 9 ALA C C 179.660 0.12 1 71 . 10 GLU N N 115.544 0.15 1 72 . 10 GLU H H 8.020 0.03 1 73 . 10 GLU CA C 60.305 0.12 1 74 . 10 GLU HA H 3.880 0.03 1 75 . 10 GLU CB C 28.923 0.12 1 76 . 10 GLU HB2 H 2.220 0.03 2 77 . 10 GLU CG C 36.950 0.12 1 78 . 10 GLU HG2 H 2.350 0.03 2 79 . 10 GLU C C 179.800 0.12 1 80 . 11 ILE N N 120.451 0.15 1 81 . 11 ILE H H 8.158 0.03 1 82 . 11 ILE CA C 65.236 0.12 1 83 . 11 ILE HA H 3.910 0.03 1 84 . 11 ILE CB C 38.543 0.12 1 85 . 11 ILE CD1 C 14.650 0.12 1 86 . 11 ILE HD1 H 1.020 0.03 1 87 . 11 ILE CG2 C 17.420 0.12 1 88 . 11 ILE HG2 H 0.980 0.03 1 89 . 11 ILE C C 180.170 0.12 1 90 . 12 VAL N N 120.899 0.15 1 91 . 12 VAL H H 8.773 0.03 1 92 . 12 VAL CA C 67.030 0.12 1 93 . 12 VAL HA H 3.600 0.03 1 94 . 12 VAL CB C 30.780 0.12 1 95 . 12 VAL HB H 2.180 0.03 1 96 . 12 VAL CG2 C 24.160 0.12 1 97 . 12 VAL HG2 H 1.070 0.03 1 98 . 12 VAL CG1 C 24.840 0.12 1 99 . 12 VAL HG1 H 0.760 0.03 1 100 . 12 VAL C C 177.360 0.12 1 101 . 13 ALA N N 122.069 0.15 1 102 . 13 ALA H H 8.514 0.03 1 103 . 13 ALA CA C 56.452 0.12 1 104 . 13 ALA HA H 4.080 0.03 1 105 . 13 ALA CB C 19.440 0.12 1 106 . 13 ALA HB H 1.540 0.03 1 107 . 13 ALA C C 179.160 0.12 1 108 . 14 GLU N N 115.976 0.15 1 109 . 14 GLU H H 7.906 0.03 1 110 . 14 GLU CA C 59.640 0.12 1 111 . 14 GLU HA H 4.060 0.03 1 112 . 14 GLU CB C 29.805 0.12 1 113 . 14 GLU HB2 H 2.400 0.03 2 114 . 14 GLU HB3 H 2.270 0.03 2 115 . 14 GLU HG2 H 2.530 0.03 2 116 . 14 GLU C C 179.290 0.12 1 117 . 15 PHE N N 120.603 0.15 1 118 . 15 PHE H H 8.109 0.03 1 119 . 15 PHE CA C 61.206 0.12 1 120 . 15 PHE HA H 4.540 0.03 1 121 . 15 PHE CB C 37.071 0.12 1 122 . 15 PHE HB2 H 2.950 0.03 2 123 . 15 PHE HB3 H 3.440 0.03 2 124 . 15 PHE HD1 H 6.540 0.03 1 125 . 15 PHE HE1 H 6.340 0.03 1 126 . 15 PHE HZ H 6.010 0.03 1 127 . 15 PHE HE2 H 6.340 0.03 1 128 . 15 PHE HD2 H 6.540 0.03 1 129 . 15 PHE C C 178.030 0.12 1 130 . 16 PHE N N 117.924 0.15 1 131 . 16 PHE H H 8.225 0.03 1 132 . 16 PHE CA C 61.745 0.12 1 133 . 16 PHE HA H 3.710 0.03 1 134 . 16 PHE CB C 36.819 0.12 1 135 . 16 PHE HB2 H 3.140 0.03 2 136 . 16 PHE HB3 H 2.940 0.03 2 137 . 16 PHE HD1 H 6.890 0.03 1 138 . 16 PHE HE1 H 6.930 0.03 1 139 . 16 PHE HE2 H 6.930 0.03 1 140 . 16 PHE HD2 H 6.890 0.03 1 141 . 16 PHE C C 178.430 0.12 1 142 . 17 SER N N 113.790 0.15 1 143 . 17 SER H H 7.856 0.03 1 144 . 17 SER CA C 62.485 0.12 1 145 . 17 SER HA H 4.050 0.03 1 146 . 17 SER HB2 H 3.790 0.03 2 147 . 17 SER C C 178.640 0.12 1 148 . 18 PHE N N 118.830 0.15 1 149 . 18 PHE H H 7.880 0.03 1 150 . 18 PHE CA C 63.677 0.12 1 151 . 18 PHE HA H 4.100 0.03 1 152 . 18 PHE HB2 H 2.970 0.03 2 153 . 18 PHE HB3 H 2.820 0.03 2 154 . 18 PHE HD1 H 7.400 0.03 1 155 . 18 PHE HE1 H 7.170 0.03 1 156 . 18 PHE HZ H 7.120 0.03 1 157 . 18 PHE HE2 H 7.170 0.03 1 158 . 18 PHE HD2 H 7.400 0.03 1 159 . 18 PHE C C 180.250 0.12 1 160 . 19 GLY N N 111.908 0.15 1 161 . 19 GLY H H 9.728 0.03 1 162 . 19 GLY CA C 46.470 0.12 1 163 . 19 GLY HA2 H 3.390 0.03 2 164 . 19 GLY HA3 H 2.990 0.03 2 165 . 19 GLY C C 174.710 0.12 1 166 . 20 ILE N N 120.113 0.15 1 167 . 20 ILE H H 8.851 0.03 1 168 . 20 ILE CA C 66.620 0.12 1 169 . 20 ILE HA H 3.440 0.03 1 170 . 20 ILE CB C 37.680 0.12 1 171 . 20 ILE CD1 C 13.950 0.12 1 172 . 20 ILE HD1 H 0.830 0.03 1 173 . 20 ILE CG2 C 17.680 0.12 1 174 . 20 ILE HG2 H 0.760 0.03 1 175 . 20 ILE C C 178.220 0.12 1 176 . 21 ASN N N 116.800 0.15 1 177 . 21 ASN H H 7.520 0.03 1 178 . 21 ASN CA C 59.030 0.12 1 179 . 21 ASN HA H 4.160 0.03 1 180 . 21 ASN CB C 40.740 0.12 1 181 . 21 ASN HB2 H 2.840 0.03 2 182 . 21 ASN C C 177.040 0.12 1 183 . 22 SER N N 111.140 0.15 1 184 . 22 SER H H 7.800 0.03 1 185 . 22 SER CA C 63.500 0.12 1 186 . 22 SER HA H 4.170 0.03 1 187 . 22 SER HB2 H 5.180 0.03 2 188 . 22 SER C C 174.520 0.12 1 189 . 23 ILE N N 122.500 0.15 1 190 . 23 ILE H H 7.780 0.03 1 191 . 23 ILE CA C 61.850 0.12 1 192 . 23 ILE HA H 2.980 0.03 1 193 . 23 ILE CG1 C 17.220 0.12 1 194 . 23 ILE HG12 H -0.800 0.03 2 195 . 23 ILE CD1 C 13.830 0.12 1 196 . 23 ILE HD1 H 0.330 0.03 1 197 . 23 ILE CG2 C 16.200 0.12 1 198 . 23 ILE HG2 H 0.140 0.03 1 199 . 24 LEU N N 116.450 0.15 1 200 . 24 LEU H H 8.200 0.03 1 201 . 24 LEU CA C 58.040 0.12 1 202 . 24 LEU HA H 3.720 0.03 1 203 . 24 LEU CD1 C 25.610 0.12 1 204 . 24 LEU HD1 H 0.480 0.03 1 205 . 24 LEU CD2 C 21.220 0.12 1 206 . 24 LEU HD2 H 0.036 0.03 1 207 . 24 LEU C C 179.610 0.12 1 208 . 25 TYR N N 116.360 0.15 1 209 . 25 TYR H H 8.020 0.03 1 210 . 25 TYR CA C 60.951 0.12 1 211 . 25 TYR HA H 3.470 0.03 1 212 . 25 TYR CB C 37.603 0.12 1 213 . 25 TYR HD1 H 6.430 0.03 1 214 . 25 TYR HE1 H 6.640 0.03 1 215 . 25 TYR HE2 H 6.640 0.03 1 216 . 25 TYR HD2 H 6.430 0.03 1 217 . 25 TYR C C 180.330 0.12 1 218 . 26 GLN N N 118.009 0.15 1 219 . 26 GLN H H 8.851 0.03 1 220 . 26 GLN CA C 58.093 0.12 1 221 . 26 GLN HA H 3.660 0.03 1 222 . 26 GLN CB C 27.942 0.12 1 223 . 26 GLN HB2 H 2.280 0.03 2 224 . 26 GLN CG C 34.660 0.12 1 225 . 26 GLN HG2 H 2.430 0.03 2 226 . 26 GLN NE2 N 113.360 0.15 1 227 . 26 GLN HE22 H 7.590 0.03 2 228 . 26 GLN HE21 H 6.860 0.03 2 229 . 26 GLN C C 179.070 0.12 1 230 . 27 ARG N N 113.154 0.15 1 231 . 27 ARG H H 8.155 0.03 1 232 . 27 ARG CA C 52.803 0.12 1 233 . 27 ARG HA H 4.430 0.03 1 234 . 27 ARG CB C 25.604 0.12 1 235 . 27 ARG HB2 H 1.960 0.03 2 236 . 27 ARG HB3 H 1.810 0.03 2 237 . 27 ARG HD2 H 3.360 0.03 2 238 . 27 ARG C C 176.910 0.12 1 239 . 28 GLY N N 106.607 0.15 1 240 . 28 GLY H H 7.364 0.03 1 241 . 28 GLY CA C 46.569 0.12 1 242 . 28 GLY HA2 H 3.920 0.03 2 243 . 28 GLY HA3 H 3.810 0.03 2 244 . 28 GLY C C 175.760 0.12 1 245 . 29 ILE N N 118.004 0.15 1 246 . 29 ILE H H 8.189 0.03 1 247 . 29 ILE CA C 61.470 0.12 1 248 . 29 ILE HA H 3.700 0.03 1 249 . 29 ILE CB C 35.392 0.12 1 250 . 29 ILE CD1 C 10.160 0.12 1 251 . 29 ILE HD1 H 0.680 0.03 1 252 . 29 ILE CG2 C 18.390 0.12 1 253 . 29 ILE HG2 H 0.920 0.03 1 254 . 29 ILE C C 176.910 0.12 1 255 . 30 TYR N N 114.016 0.15 1 256 . 30 TYR H H 7.186 0.03 1 257 . 30 TYR CA C 55.198 0.12 1 258 . 30 TYR HA H 4.800 0.03 1 259 . 30 TYR CB C 40.803 0.12 1 260 . 30 TYR HB2 H 3.020 0.03 2 261 . 30 TYR HB3 H 2.810 0.03 2 262 . 30 TYR HD1 H 7.060 0.03 1 263 . 30 TYR HE1 H 6.860 0.03 1 264 . 30 TYR HH H 6.230 0.03 1 265 . 30 TYR HE2 H 6.860 0.03 1 266 . 30 TYR HD2 H 7.060 0.03 1 267 . 32 SER CA C 62.704 0.12 1 268 . 32 SER HA H 5.230 0.03 1 269 . 32 SER HB2 H 4.090 0.03 2 270 . 32 SER C C 177.080 0.12 1 271 . 33 GLU N N 119.082 0.15 1 272 . 33 GLU H H 9.616 0.03 1 273 . 33 GLU CA C 58.552 0.12 1 274 . 33 GLU HA H 4.550 0.03 1 275 . 33 GLU CB C 27.887 0.12 1 276 . 33 GLU HB2 H 2.220 0.03 2 277 . 33 GLU CG C 36.230 0.12 1 278 . 33 GLU HG2 H 2.330 0.03 2 279 . 33 GLU C C 177.890 0.12 1 280 . 34 THR N N 110.163 0.15 1 281 . 34 THR H H 8.184 0.03 1 282 . 34 THR CA C 61.893 0.12 1 283 . 34 THR HA H 5.230 0.03 1 284 . 34 THR CB C 69.114 0.12 1 285 . 34 THR HB H 4.350 0.03 1 286 . 34 THR CG2 C 22.900 0.12 1 287 . 34 THR HG2 H 1.310 0.03 1 288 . 34 THR C C 172.650 0.12 1 289 . 35 PHE N N 118.640 0.15 1 290 . 35 PHE H H 7.627 0.03 1 291 . 35 PHE CA C 56.864 0.12 1 292 . 35 PHE HA H 5.230 0.03 1 293 . 35 PHE CB C 42.653 0.12 1 294 . 35 PHE HB2 H 2.910 0.03 2 295 . 35 PHE HB3 H 2.670 0.03 2 296 . 35 PHE HD1 H 7.080 0.03 1 297 . 35 PHE HE1 H 7.320 0.03 1 298 . 35 PHE HE2 H 7.320 0.03 1 299 . 35 PHE HD2 H 7.080 0.03 1 300 . 35 PHE C C 175.530 0.12 1 301 . 36 THR N N 116.316 0.15 1 302 . 36 THR H H 9.513 0.03 1 303 . 36 THR CA C 59.351 0.12 1 304 . 36 THR HA H 4.750 0.03 1 305 . 36 THR CB C 70.885 0.12 1 306 . 36 THR HB H 3.790 0.03 1 307 . 36 THR CG2 C 19.720 0.12 1 308 . 36 THR HG2 H 0.950 0.03 1 309 . 36 THR C C 172.610 0.12 1 310 . 37 ARG N N 123.078 0.15 1 311 . 37 ARG H H 7.650 0.03 1 312 . 37 ARG CA C 56.177 0.12 1 313 . 37 ARG HA H 5.130 0.03 1 314 . 37 ARG CB C 31.364 0.12 1 315 . 37 ARG HB2 H 1.640 0.03 2 316 . 37 ARG CD C 43.620 0.12 1 317 . 37 ARG HD2 H 3.070 0.03 2 318 . 37 ARG C C 177.490 0.12 1 319 . 38 VAL N N 119.949 0.15 1 320 . 38 VAL H H 9.340 0.03 1 321 . 38 VAL CA C 59.810 0.12 1 322 . 38 VAL HA H 4.520 0.03 1 323 . 38 VAL CB C 35.501 0.12 1 324 . 38 VAL HB H 2.080 0.03 1 325 . 38 VAL CG2 C 20.360 0.12 1 326 . 38 VAL HG2 H 0.850 0.03 1 327 . 38 VAL C C 174.100 0.12 1 328 . 39 GLN N N 120.662 0.15 1 329 . 39 GLN H H 8.230 0.03 1 330 . 39 GLN CA C 54.182 0.12 1 331 . 39 GLN HA H 5.230 0.03 1 332 . 39 GLN CB C 29.342 0.12 1 333 . 39 GLN HB2 H 1.890 0.03 2 334 . 39 GLN HB3 H 2.050 0.03 2 335 . 39 GLN CG C 34.110 0.12 1 336 . 39 GLN HG2 H 2.220 0.03 2 337 . 39 GLN NE2 N 112.190 0.15 1 338 . 39 GLN HE22 H 6.750 0.03 2 339 . 39 GLN HE21 H 7.310 0.03 2 340 . 39 GLN C C 176.320 0.12 1 341 . 40 LYS N N 126.777 0.15 1 342 . 40 LYS H H 8.635 0.03 1 343 . 40 LYS CA C 55.522 0.12 1 344 . 40 LYS HA H 3.900 0.03 1 345 . 40 LYS CB C 33.899 0.12 1 346 . 40 LYS HB2 H 1.880 0.03 2 347 . 40 LYS CD C 22.330 0.12 1 348 . 40 LYS HD2 H -0.610 0.03 2 349 . 40 LYS C C 175.380 0.12 1 350 . 41 TYR N N 119.448 0.15 1 351 . 41 TYR H H 8.514 0.03 1 352 . 41 TYR CA C 57.900 0.12 1 353 . 41 TYR HA H 4.060 0.03 1 354 . 41 TYR CB C 35.661 0.12 1 355 . 41 TYR HB2 H 3.020 0.03 2 356 . 41 TYR HD1 H 6.590 0.03 1 357 . 41 TYR HE1 H 6.440 0.03 1 358 . 41 TYR HE2 H 6.440 0.03 1 359 . 41 TYR HD2 H 6.590 0.03 1 360 . 41 TYR C C 176.430 0.12 1 361 . 42 GLY N N 105.479 0.15 1 362 . 42 GLY H H 8.635 0.03 1 363 . 42 GLY CA C 45.541 0.12 1 364 . 42 GLY HA2 H 3.560 0.03 2 365 . 42 GLY HA3 H 4.060 0.03 2 366 . 42 GLY C C 174.580 0.12 1 367 . 43 LEU N N 121.448 0.15 1 368 . 43 LEU H H 7.989 0.03 1 369 . 43 LEU CA C 53.123 0.12 1 370 . 43 LEU HA H 5.180 0.03 1 371 . 43 LEU CB C 44.441 0.12 1 372 . 43 LEU HB2 H 1.900 0.03 2 373 . 43 LEU HG H 1.420 0.03 1 374 . 43 LEU CD1 C 26.900 0.12 1 375 . 43 LEU HD1 H 1.030 0.03 1 376 . 43 LEU CD2 C 23.220 0.12 1 377 . 43 LEU HD2 H 0.930 0.03 1 378 . 43 LEU C C 176.290 0.12 1 379 . 44 THR N N 116.424 0.15 1 380 . 44 THR H H 8.207 0.03 1 381 . 44 THR CA C 62.713 0.12 1 382 . 44 THR HA H 5.210 0.03 1 383 . 44 THR CB C 68.388 0.12 1 384 . 44 THR HB H 3.960 0.03 1 385 . 44 THR CG2 C 22.270 0.12 1 386 . 44 THR HG2 H 1.060 0.03 1 387 . 44 THR C C 174.340 0.12 1 388 . 45 LEU N N 129.384 0.15 1 389 . 45 LEU H H 9.158 0.03 1 390 . 45 LEU CA C 53.138 0.12 1 391 . 45 LEU HA H 4.520 0.03 1 392 . 45 LEU CB C 43.229 0.12 1 393 . 45 LEU HB2 H 1.740 0.03 2 394 . 45 LEU HG H 1.420 0.03 1 395 . 45 LEU CD1 C 27.140 0.12 1 396 . 45 LEU HD1 H 0.700 0.03 1 397 . 45 LEU CD2 C 23.970 0.12 1 398 . 45 LEU HD2 H 0.860 0.03 1 399 . 45 LEU C C 174.520 0.12 1 400 . 46 LEU N N 122.285 0.15 1 401 . 46 LEU H H 7.784 0.03 1 402 . 46 LEU CA C 52.356 0.12 1 403 . 46 LEU HA H 5.170 0.03 1 404 . 46 LEU CB C 40.829 0.12 1 405 . 46 LEU HB2 H 1.970 0.03 2 406 . 46 LEU HG H 1.390 0.03 1 407 . 46 LEU CD1 C 23.810 0.12 1 408 . 46 LEU HD1 H 0.290 0.03 1 409 . 46 LEU CD2 C 23.810 0.12 1 410 . 46 LEU HD2 H 0.400 0.03 1 411 . 46 LEU C C 177.530 0.12 1 412 . 47 VAL N N 112.113 0.15 1 413 . 47 VAL H H 8.804 0.03 1 414 . 47 VAL CA C 58.706 0.12 1 415 . 47 VAL HA H 4.680 0.03 1 416 . 47 VAL CB C 35.542 0.12 1 417 . 47 VAL HB H 2.020 0.03 1 418 . 47 VAL CG2 C 19.770 0.12 1 419 . 47 VAL HG2 H 0.750 0.03 1 420 . 47 VAL CG1 C 22.480 0.12 1 421 . 47 VAL HG1 H 0.790 0.03 1 422 . 47 VAL C C 176.350 0.12 1 423 . 48 THR N N 117.756 0.15 1 424 . 48 THR H H 8.014 0.03 1 425 . 48 THR CA C 62.410 0.12 1 426 . 48 THR HA H 4.370 0.03 1 427 . 48 THR CB C 67.893 0.12 1 428 . 48 THR HB H 3.820 0.03 1 429 . 48 THR CG2 C 19.550 0.12 1 430 . 48 THR HG2 H 0.980 0.03 1 431 . 48 THR C C 174.040 0.12 1 432 . 49 THR N N 114.083 0.15 1 433 . 49 THR H H 8.031 0.03 1 434 . 49 THR CA C 60.990 0.12 1 435 . 49 THR HA H 4.350 0.03 1 436 . 49 THR CB C 69.542 0.12 1 437 . 49 THR HB H 3.790 0.03 1 438 . 49 THR CG2 C 21.710 0.12 1 439 . 49 THR HG2 H 1.050 0.03 1 440 . 49 THR C C 175.760 0.12 1 441 . 50 ASP N N 127.791 0.15 1 442 . 50 ASP H H 8.800 0.03 1 443 . 50 ASP CA C 54.613 0.12 1 444 . 50 ASP HA H 4.360 0.03 1 445 . 50 ASP CB C 42.329 0.12 1 446 . 50 ASP HB2 H 2.230 0.03 2 447 . 50 ASP HB3 H 2.680 0.03 2 448 . 50 ASP C C 176.650 0.12 1 449 . 51 LEU N N 127.082 0.15 1 450 . 51 LEU H H 8.521 0.03 1 451 . 51 LEU CA C 58.748 0.12 1 452 . 51 LEU HA H 3.890 0.03 1 453 . 51 LEU CB C 41.252 0.12 1 454 . 51 LEU HB2 H 1.800 0.03 2 455 . 51 LEU HG H 1.550 0.03 1 456 . 51 LEU CD1 C 24.620 0.12 1 457 . 51 LEU HD1 H 0.870 0.03 1 458 . 51 LEU C C 180.370 0.12 1 459 . 52 GLU N N 116.885 0.15 1 460 . 52 GLU H H 7.998 0.03 1 461 . 52 GLU CA C 58.861 0.12 1 462 . 52 GLU HA H 4.120 0.03 1 463 . 52 GLU CB C 28.595 0.12 1 464 . 52 GLU HB2 H 2.240 0.03 2 465 . 52 GLU CG C 36.620 0.12 1 466 . 52 GLU HG2 H 2.400 0.03 2 467 . 52 GLU C C 180.400 0.12 1 468 . 53 LEU N N 124.918 0.15 1 469 . 53 LEU H H 8.656 0.03 1 470 . 53 LEU CA C 57.390 0.12 1 471 . 53 LEU HA H 4.240 0.03 1 472 . 53 LEU CB C 40.445 0.12 1 473 . 53 LEU HB2 H 1.940 0.03 2 474 . 53 LEU HG H 1.330 0.03 1 475 . 53 LEU CD1 C 23.220 0.12 1 476 . 53 LEU HD1 H 0.810 0.03 1 477 . 53 LEU CD2 C 23.410 0.12 1 478 . 53 LEU HD2 H 0.310 0.03 1 479 . 53 LEU C C 179.280 0.12 1 480 . 54 ILE N N 120.303 0.15 1 481 . 54 ILE H H 8.862 0.03 1 482 . 54 ILE CA C 65.825 0.12 1 483 . 54 ILE HA H 3.430 0.03 1 484 . 54 ILE CB C 37.768 0.12 1 485 . 54 ILE HB H 1.920 0.03 1 486 . 54 ILE CG1 C 30.470 0.12 1 487 . 54 ILE HG12 H 1.740 0.03 2 488 . 54 ILE CD1 C 13.950 0.12 1 489 . 54 ILE HD1 H 0.660 0.03 1 490 . 54 ILE CG2 C 17.160 0.12 1 491 . 54 ILE HG2 H 0.790 0.03 1 492 . 54 ILE C C 179.330 0.12 1 493 . 55 LYS N N 119.092 0.15 1 494 . 55 LYS H H 7.450 0.03 1 495 . 55 LYS CA C 59.750 0.12 1 496 . 55 LYS HA H 3.950 0.03 1 497 . 55 LYS CB C 31.887 0.12 1 498 . 55 LYS HB2 H 1.890 0.03 2 499 . 55 LYS HB3 H 1.710 0.03 2 500 . 55 LYS CG C 24.840 0.12 1 501 . 55 LYS HG2 H 1.440 0.03 2 502 . 55 LYS HE2 H 2.900 0.03 2 503 . 55 LYS C C 179.260 0.12 1 504 . 56 TYR N N 120.227 0.15 1 505 . 56 TYR H H 7.773 0.03 1 506 . 56 TYR CA C 61.335 0.12 1 507 . 56 TYR HA H 4.280 0.03 1 508 . 56 TYR CB C 38.311 0.12 1 509 . 56 TYR HB2 H 3.230 0.03 2 510 . 56 TYR HB3 H 3.120 0.03 2 511 . 56 TYR HD1 H 6.910 0.03 1 512 . 56 TYR HE1 H 6.170 0.03 1 513 . 56 TYR HE2 H 6.170 0.03 1 514 . 56 TYR HD2 H 6.910 0.03 1 515 . 56 TYR C C 177.360 0.12 1 516 . 57 LEU N N 119.138 0.15 1 517 . 57 LEU H H 9.089 0.03 1 518 . 57 LEU CA C 57.573 0.12 1 519 . 57 LEU HA H 3.770 0.03 1 520 . 57 LEU CB C 40.483 0.12 1 521 . 57 LEU HB2 H 1.960 0.03 2 522 . 57 LEU HG H 1.280 0.03 1 523 . 57 LEU CD1 C 25.610 0.12 1 524 . 57 LEU HD1 H 0.830 0.03 1 525 . 57 LEU C C 179.830 0.12 1 526 . 58 ASN N N 117.916 0.15 1 527 . 58 ASN H H 8.580 0.03 1 528 . 58 ASN CA C 56.405 0.12 1 529 . 58 ASN HA H 4.370 0.03 1 530 . 58 ASN CB C 37.839 0.12 1 531 . 58 ASN HB2 H 2.770 0.03 2 532 . 58 ASN HB3 H 2.880 0.03 2 533 . 58 ASN ND2 N 111.950 0.15 1 534 . 58 ASN HD22 H 6.770 0.03 2 535 . 58 ASN HD21 H 7.500 0.03 2 536 . 58 ASN C C 178.450 0.12 1 537 . 59 ASN N N 119.098 0.15 1 538 . 59 ASN H H 7.932 0.03 1 539 . 59 ASN CA C 56.209 0.12 1 540 . 59 ASN HA H 4.390 0.03 1 541 . 59 ASN CB C 38.279 0.12 1 542 . 59 ASN HB2 H 2.830 0.03 2 543 . 59 ASN HB3 H 3.230 0.03 2 544 . 59 ASN ND2 N 111.250 0.15 1 545 . 59 ASN HD22 H 7.280 0.03 2 546 . 59 ASN HD21 H 6.890 0.03 2 547 . 59 ASN C C 179.330 0.12 1 548 . 60 VAL N N 121.701 0.15 1 549 . 60 VAL H H 8.297 0.03 1 550 . 60 VAL CA C 67.416 0.12 1 551 . 60 VAL HA H 3.470 0.03 1 552 . 60 VAL CB C 31.390 0.12 1 553 . 60 VAL HB H 2.060 0.03 1 554 . 60 VAL CG2 C 23.710 0.12 1 555 . 60 VAL HG2 H 0.550 0.03 1 556 . 60 VAL CG1 C 21.420 0.12 1 557 . 60 VAL HG1 H 0.860 0.03 1 558 . 60 VAL C C 178.110 0.12 1 559 . 61 VAL N N 119.742 0.15 1 560 . 61 VAL H H 8.761 0.03 1 561 . 61 VAL CA C 67.484 0.12 1 562 . 61 VAL HA H 3.460 0.03 1 563 . 61 VAL CB C 30.944 0.12 1 564 . 61 VAL HB H 2.060 0.03 1 565 . 61 VAL CG2 C 23.590 0.12 1 566 . 61 VAL HG2 H 1.060 0.03 1 567 . 61 VAL CG1 C 21.540 0.12 1 568 . 61 VAL HG1 H 0.920 0.03 1 569 . 61 VAL C C 178.530 0.12 1 570 . 62 GLU N N 118.364 0.15 1 571 . 62 GLU H H 8.076 0.03 1 572 . 62 GLU CA C 59.512 0.12 1 573 . 62 GLU HA H 3.850 0.03 1 574 . 62 GLU CB C 28.898 0.12 1 575 . 62 GLU HB2 H 2.060 0.03 2 576 . 62 GLU CG C 36.220 0.12 1 577 . 62 GLU HG2 H 2.270 0.03 2 578 . 62 GLU C C 179.890 0.12 1 579 . 63 GLN N N 119.025 0.15 1 580 . 63 GLN H H 7.537 0.03 1 581 . 63 GLN CA C 57.191 0.12 1 582 . 63 GLN HA H 3.640 0.03 1 583 . 63 GLN CB C 28.138 0.12 1 584 . 63 GLN HB2 H 1.210 0.03 2 585 . 63 GLN HG2 H 0.130 0.03 2 586 . 63 GLN NE2 N 113.830 0.15 1 587 . 63 GLN HE22 H 6.690 0.03 2 588 . 63 GLN HE21 H 4.850 0.03 2 589 . 63 GLN C C 179.020 0.12 1 590 . 64 LEU N N 119.094 0.15 1 591 . 64 LEU H H 8.904 0.03 1 592 . 64 LEU CA C 57.899 0.12 1 593 . 64 LEU HA H 4.040 0.03 1 594 . 64 LEU CB C 41.111 0.12 1 595 . 64 LEU HB2 H 1.920 0.03 2 596 . 64 LEU CD1 C 26.180 0.12 1 597 . 64 LEU HD1 H 0.850 0.03 1 598 . 64 LEU CD2 C 23.220 0.12 1 599 . 64 LEU HD2 H 0.930 0.03 1 600 . 64 LEU C C 179.290 0.12 1 601 . 65 LYS N N 118.452 0.15 1 602 . 65 LYS H H 8.436 0.03 1 603 . 65 LYS CA C 61.299 0.12 1 604 . 65 LYS HA H 3.730 0.03 1 605 . 65 LYS CB C 31.770 0.12 1 606 . 65 LYS HB2 H 1.780 0.03 2 607 . 65 LYS CG C 29.390 0.12 1 608 . 65 LYS HE2 H 3.180 0.03 2 609 . 65 LYS C C 178.900 0.12 1 610 . 66 ASP N N 117.955 0.15 1 611 . 66 ASP H H 6.864 0.03 1 612 . 66 ASP CA C 57.612 0.12 1 613 . 66 ASP HA H 4.490 0.03 1 614 . 66 ASP CB C 41.511 0.12 1 615 . 66 ASP HB2 H 2.540 0.03 2 616 . 66 ASP C C 179.080 0.12 1 617 . 67 TRP N N 118.177 0.15 1 618 . 67 TRP H H 8.171 0.03 1 619 . 67 TRP CA C 58.235 0.12 1 620 . 67 TRP HA H 4.340 0.03 1 621 . 67 TRP CB C 29.093 0.12 1 622 . 67 TRP HB2 H 3.180 0.03 2 623 . 67 TRP HB3 H 2.860 0.03 2 624 . 67 TRP CD1 C 123.000 0.12 1 625 . 67 TRP HD1 H 6.910 0.03 1 626 . 67 TRP NE1 N 129.760 0.15 1 627 . 67 TRP HE1 H 10.190 0.03 1 628 . 67 TRP CZ2 C 113.980 0.12 1 629 . 67 TRP HZ2 H 6.510 0.03 1 630 . 67 TRP CH2 C 124.470 0.12 1 631 . 67 TRP HH2 H 5.010 0.03 1 632 . 67 TRP CZ3 C 122.420 0.12 1 633 . 67 TRP HZ3 H 6.100 0.03 1 634 . 67 TRP HE3 H 6.920 0.03 1 635 . 67 TRP C C 180.160 0.12 1 636 . 68 LEU N N 120.865 0.15 1 637 . 68 LEU H H 9.613 0.03 1 638 . 68 LEU CA C 57.995 0.12 1 639 . 68 LEU HA H 4.340 0.03 1 640 . 68 LEU CB C 41.780 0.12 1 641 . 68 LEU HB2 H 1.790 0.03 2 642 . 68 LEU CD1 C 27.450 0.12 1 643 . 68 LEU HD1 H 0.930 0.03 1 644 . 68 LEU CD2 C 24.840 0.12 1 645 . 68 LEU HD2 H 0.730 0.03 1 646 . 68 LEU C C 181.240 0.12 1 647 . 69 TYR N N 123.546 0.15 1 648 . 69 TYR H H 8.122 0.03 1 649 . 69 TYR CA C 61.287 0.12 1 650 . 69 TYR HA H 4.180 0.03 1 651 . 69 TYR CB C 38.225 0.12 1 652 . 69 TYR HB2 H 3.190 0.03 2 653 . 69 TYR HB3 H 3.450 0.03 2 654 . 69 TYR HD1 H 6.960 0.03 1 655 . 69 TYR HE1 H 6.880 0.03 1 656 . 69 TYR HE2 H 6.880 0.03 1 657 . 69 TYR HD2 H 6.960 0.03 1 658 . 69 TYR C C 176.680 0.12 1 659 . 70 LYS N N 114.536 0.15 1 660 . 70 LYS H H 7.749 0.03 1 661 . 70 LYS CA C 56.659 0.12 1 662 . 70 LYS HA H 4.050 0.03 1 663 . 70 LYS CB C 32.395 0.12 1 664 . 70 LYS HB2 H 1.790 0.03 2 665 . 70 LYS HG2 H 1.680 0.03 2 666 . 70 LYS C C 176.480 0.12 1 667 . 71 CYS N N 114.979 0.15 1 668 . 71 CYS H H 8.097 0.03 1 669 . 71 CYS CA C 60.833 0.12 1 670 . 71 CYS HA H 4.360 0.03 1 671 . 71 CYS CB C 25.660 0.12 1 672 . 71 CYS HB2 H 1.790 0.03 2 673 . 71 CYS HB3 H 2.870 0.03 2 674 . 71 CYS C C 176.420 0.12 1 675 . 72 SER N N 110.508 0.15 1 676 . 72 SER H H 8.642 0.03 1 677 . 72 SER CA C 58.792 0.12 1 678 . 72 SER HA H 4.360 0.03 1 679 . 72 SER CB C 65.504 0.12 1 680 . 72 SER HB2 H 3.670 0.03 2 681 . 72 SER HB3 H 3.500 0.03 2 682 . 72 SER C C 173.360 0.12 1 683 . 73 VAL N N 115.531 0.15 1 684 . 73 VAL H H 7.094 0.03 1 685 . 73 VAL CA C 60.142 0.12 1 686 . 73 VAL HA H 4.270 0.03 1 687 . 73 VAL CB C 33.640 0.12 1 688 . 73 VAL HB H 1.710 0.03 1 689 . 73 VAL CG2 C 22.140 0.12 1 690 . 73 VAL HG2 H 0.830 0.03 1 691 . 73 VAL HG1 H 0.750 0.03 1 692 . 73 VAL C C 173.420 0.12 1 693 . 74 GLN N N 123.582 0.15 1 694 . 74 GLN H H 8.323 0.03 1 695 . 74 GLN CA C 57.144 0.12 1 696 . 74 GLN HA H 5.410 0.03 1 697 . 74 GLN CB C 31.638 0.12 1 698 . 74 GLN HB2 H 1.950 0.03 2 699 . 74 GLN CG C 35.460 0.12 1 700 . 74 GLN HG2 H 2.380 0.03 2 701 . 74 GLN HG3 H 2.520 0.03 2 702 . 74 GLN NE2 N 111.250 0.15 1 703 . 74 GLN HE22 H 6.630 0.03 2 704 . 74 GLN HE21 H 7.570 0.03 2 705 . 74 GLN C C 177.580 0.12 1 706 . 75 LYS N N 115.880 0.15 1 707 . 75 LYS H H 7.813 0.03 1 708 . 75 LYS CA C 55.396 0.12 1 709 . 75 LYS HA H 5.740 0.03 1 710 . 75 LYS CB C 38.419 0.12 1 711 . 75 LYS HB2 H 1.940 0.03 2 712 . 75 LYS HB3 H 1.780 0.03 2 713 . 75 LYS HG2 H 1.630 0.03 2 714 . 75 LYS HE2 H 2.900 0.03 2 715 . 75 LYS C C 174.770 0.12 1 716 . 76 LEU N N 123.604 0.15 1 717 . 76 LEU H H 9.192 0.03 1 718 . 76 LEU CA C 55.108 0.12 1 719 . 76 LEU HA H 5.490 0.03 1 720 . 76 LEU CB C 44.967 0.12 1 721 . 76 LEU HB2 H 1.760 0.03 2 722 . 76 LEU HG H 1.560 0.03 1 723 . 76 LEU CD1 C 26.160 0.12 1 724 . 76 LEU HD1 H 0.580 0.03 1 725 . 76 LEU CD2 C 25.060 0.12 1 726 . 76 LEU HD2 H 0.560 0.03 1 727 . 76 LEU C C 175.690 0.12 1 728 . 77 VAL N N 128.200 0.15 1 729 . 77 VAL H H 10.230 0.03 1 730 . 77 VAL CA C 59.340 0.12 1 731 . 77 VAL HA H 5.820 0.03 1 732 . 77 VAL HB H 2.170 0.03 1 733 . 77 VAL CG2 C 22.660 0.12 1 734 . 77 VAL HG2 H 1.290 0.03 1 735 . 77 VAL CG1 C 22.850 0.12 1 736 . 77 VAL HG1 H 0.950 0.03 1 737 . 78 VAL N N 125.880 0.15 1 738 . 78 VAL H H 9.460 0.03 1 739 . 78 VAL HA H 5.210 0.03 1 740 . 78 VAL HB H 1.840 0.03 1 741 . 78 VAL HG2 H 1.080 0.03 1 742 . 78 VAL HG1 H 1.000 0.03 1 743 . 79 VAL N N 128.340 0.15 1 744 . 79 VAL H H 9.200 0.03 1 745 . 79 VAL HA H 5.410 0.03 1 746 . 79 VAL HB H 2.020 0.03 1 747 . 79 VAL HG2 H 1.050 0.03 1 748 . 79 VAL HG1 H 0.920 0.03 1 749 . 80 ILE N N 133.820 0.15 1 750 . 80 ILE H H 9.950 0.03 1 751 . 80 ILE CA C 60.531 0.12 1 752 . 80 ILE HA H 5.140 0.03 1 753 . 80 ILE CB C 38.501 0.12 1 754 . 80 ILE CD1 C 13.180 0.12 1 755 . 80 ILE HD1 H 0.970 0.03 1 756 . 80 ILE CG2 C 18.390 0.12 1 757 . 80 ILE HG2 H 1.060 0.03 1 758 . 80 ILE C C 175.950 0.12 1 759 . 81 SER N N 120.827 0.15 1 760 . 81 SER H H 8.555 0.03 1 761 . 81 SER CA C 56.230 0.12 1 762 . 81 SER HA H 5.480 0.03 1 763 . 81 SER CB C 66.182 0.12 1 764 . 81 SER HB2 H 3.290 0.03 2 765 . 81 SER C C 173.360 0.12 1 766 . 82 ASN N N 120.954 0.15 1 767 . 82 ASN H H 8.599 0.03 1 768 . 82 ASN CA C 53.560 0.12 1 769 . 82 ASN HA H 5.640 0.03 1 770 . 82 ASN CB C 39.238 0.12 1 771 . 82 ASN HB2 H 2.680 0.03 2 772 . 82 ASN HB3 H 3.230 0.03 2 773 . 82 ASN ND2 N 115.920 0.15 1 774 . 82 ASN HD22 H 7.570 0.03 2 775 . 82 ASN HD21 H 8.190 0.03 2 776 . 82 ASN C C 178.200 0.12 1 777 . 83 ILE N N 128.465 0.15 1 778 . 83 ILE H H 8.581 0.03 1 779 . 83 ILE CA C 64.916 0.12 1 780 . 83 ILE HA H 3.830 0.03 1 781 . 83 ILE CB C 38.501 0.12 1 782 . 83 ILE HB H 1.470 0.03 1 783 . 83 ILE CD1 C 14.550 0.12 1 784 . 83 ILE HD1 H 0.800 0.03 1 785 . 83 ILE CG2 C 17.520 0.12 1 786 . 83 ILE HG2 H 0.870 0.03 1 787 . 83 ILE C C 176.940 0.12 1 788 . 84 GLU N N 119.930 0.15 1 789 . 84 GLU H H 8.375 0.03 1 790 . 84 GLU CA C 58.311 0.12 1 791 . 84 GLU HA H 4.190 0.03 1 792 . 84 GLU CB C 29.834 0.12 1 793 . 84 GLU HB2 H 2.040 0.03 2 794 . 84 GLU CG C 36.430 0.12 1 795 . 84 GLU HG2 H 2.330 0.03 2 796 . 84 GLU HG3 H 2.170 0.03 2 797 . 84 GLU C C 178.340 0.12 1 798 . 85 SER N N 110.755 0.15 1 799 . 85 SER H H 7.544 0.03 1 800 . 85 SER CA C 57.807 0.12 1 801 . 85 SER HA H 4.200 0.03 1 802 . 85 SER CB C 65.875 0.12 1 803 . 85 SER HB2 H 4.030 0.03 2 804 . 85 SER HB3 H 3.740 0.03 2 805 . 85 SER C C 176.960 0.12 1 806 . 86 GLY N N 112.703 0.15 1 807 . 86 GLY H H 8.352 0.03 1 808 . 86 GLY CA C 45.509 0.12 1 809 . 86 GLY HA2 H 4.190 0.03 2 810 . 86 GLY HA3 H 3.730 0.03 2 811 . 86 GLY C C 174.480 0.12 1 812 . 87 GLU N N 121.473 0.15 1 813 . 87 GLU H H 7.836 0.03 1 814 . 87 GLU CA C 56.976 0.12 1 815 . 87 GLU HA H 4.010 0.03 1 816 . 87 GLU CB C 30.201 0.12 1 817 . 87 GLU HB2 H 2.040 0.03 2 818 . 87 GLU CG C 35.810 0.12 1 819 . 87 GLU HG2 H 2.230 0.03 2 820 . 87 GLU C C 176.350 0.12 1 821 . 88 VAL N N 127.420 0.15 1 822 . 88 VAL H H 8.543 0.03 1 823 . 88 VAL CA C 64.296 0.12 1 824 . 88 VAL HA H 3.810 0.03 1 825 . 88 VAL CB C 31.213 0.12 1 826 . 88 VAL HB H 1.830 0.03 1 827 . 88 VAL CG2 C 22.010 0.12 1 828 . 88 VAL HG2 H 0.840 0.03 1 829 . 88 VAL C C 176.210 0.12 1 830 . 89 LEU N N 126.531 0.15 1 831 . 89 LEU H H 8.929 0.03 1 832 . 89 LEU CA C 55.401 0.12 1 833 . 89 LEU HA H 5.090 0.03 1 834 . 89 LEU CB C 44.105 0.12 1 835 . 89 LEU HB2 H 1.550 0.03 2 836 . 89 LEU C C 177.950 0.12 1 837 . 90 GLU N N 119.913 0.15 1 838 . 90 GLU H H 8.109 0.03 1 839 . 90 GLU CA C 56.663 0.12 1 840 . 90 GLU HA H 5.010 0.03 1 841 . 90 GLU CB C 34.690 0.12 1 842 . 90 GLU HB2 H 2.240 0.03 2 843 . 90 GLU C C 174.430 0.12 1 844 . 91 ARG N N 126.320 0.15 1 845 . 91 ARG H H 9.188 0.03 1 846 . 91 ARG CA C 55.763 0.12 1 847 . 91 ARG HA H 4.660 0.03 1 848 . 91 ARG CB C 34.304 0.12 1 849 . 91 ARG HB2 H 1.790 0.03 2 850 . 92 TRP N N 128.790 0.15 1 851 . 92 TRP H H 9.230 0.03 1 852 . 92 TRP CA C 57.060 0.12 1 853 . 92 TRP HA H 4.880 0.03 1 854 . 92 TRP CB C 29.170 0.12 1 855 . 92 TRP CD1 C 125.350 0.12 1 856 . 92 TRP HD1 H 7.160 0.03 1 857 . 92 TRP NE1 N 133.820 0.15 1 858 . 92 TRP HE1 H 11.900 0.03 1 859 . 92 TRP CZ2 C 114.780 0.12 1 860 . 92 TRP HZ2 H 7.170 0.03 1 861 . 92 TRP HH2 H 7.390 0.03 1 862 . 92 TRP HZ3 H 6.890 0.03 1 863 . 92 TRP HE3 H 6.800 0.03 1 864 . 92 TRP C C 174.790 0.12 1 865 . 93 GLN N N 123.390 0.15 1 866 . 93 GLN H H 8.910 0.03 1 867 . 93 GLN CA C 55.330 0.12 1 868 . 93 GLN HA H 5.140 0.03 1 869 . 93 GLN CB C 32.550 0.12 1 870 . 93 GLN HB2 H 1.870 0.03 2 871 . 93 GLN HG2 H 2.220 0.03 2 872 . 93 GLN NE2 N 118.040 0.15 1 873 . 93 GLN HE22 H 9.180 0.03 2 874 . 93 GLN HE21 H 7.140 0.03 2 875 . 94 PHE N N 127.470 0.15 1 876 . 94 PHE H H 9.780 0.03 1 877 . 94 PHE CA C 55.698 0.12 1 878 . 94 PHE HA H 5.880 0.03 1 879 . 94 PHE CB C 40.095 0.12 1 880 . 94 PHE HD1 H 7.790 0.03 1 881 . 94 PHE HE1 H 7.090 0.03 1 882 . 94 PHE HZ H 7.380 0.03 1 883 . 94 PHE HE2 H 7.090 0.03 1 884 . 94 PHE HD2 H 7.790 0.03 1 885 . 94 PHE C C 175.940 0.12 1 886 . 95 ASP N N 124.783 0.15 1 887 . 95 ASP H H 8.939 0.03 1 888 . 95 ASP CA C 54.175 0.12 1 889 . 95 ASP HA H 5.400 0.03 1 890 . 95 ASP CB C 43.331 0.12 1 891 . 95 ASP HB2 H 2.820 0.03 2 892 . 95 ASP HB3 H 2.640 0.03 2 893 . 95 ASP C C 175.890 0.12 1 894 . 96 ILE N N 123.531 0.15 1 895 . 96 ILE H H 8.816 0.03 1 896 . 96 ILE CA C 61.092 0.12 1 897 . 96 ILE HA H 4.940 0.03 1 898 . 96 ILE CB C 39.436 0.12 1 899 . 96 ILE HB H 1.930 0.03 1 900 . 96 ILE CG1 C 28.910 0.12 1 901 . 96 ILE HG12 H 1.720 0.03 2 902 . 96 ILE CD1 C 16.090 0.12 1 903 . 96 ILE HD1 H 0.920 0.03 1 904 . 96 ILE CG2 C 19.670 0.12 1 905 . 96 ILE HG2 H 0.940 0.03 1 906 . 96 ILE C C 176.060 0.12 1 907 . 97 GLU N N 127.560 0.15 1 908 . 97 GLU H H 9.530 0.03 1 909 . 97 GLU CA C 54.386 0.12 1 910 . 97 GLU HA H 4.840 0.03 1 911 . 97 GLU CB C 32.088 0.12 1 912 . 97 GLU CG C 36.210 0.12 1 913 . 97 GLU HG2 H 2.140 0.03 2 914 . 97 GLU C C 176.770 0.12 1 915 . 98 CYS N N 121.605 0.15 1 916 . 98 CYS H H 8.799 0.03 1 917 . 98 CYS CA C 57.876 0.12 1 918 . 98 CYS HA H 4.900 0.03 1 919 . 98 CYS CB C 29.029 0.12 1 920 . 98 CYS HB2 H 2.850 0.03 2 921 . 98 CYS HB3 H 2.770 0.03 2 922 . 98 CYS C C 174.720 0.12 1 923 . 99 ASP N N 124.463 0.15 1 924 . 99 ASP H H 8.297 0.03 1 925 . 99 ASP CA C 53.512 0.12 1 926 . 99 ASP HA H 4.240 0.03 1 927 . 99 ASP CB C 40.653 0.12 1 928 . 99 ASP HB2 H 2.700 0.03 2 929 . 99 ASP HB3 H 2.410 0.03 2 930 . 99 ASP C C 176.910 0.12 1 931 . 100 LYS N N 124.570 0.15 1 932 . 100 LYS H H 8.491 0.03 1 933 . 100 LYS CA C 57.850 0.12 1 934 . 100 LYS HA H 4.650 0.03 1 935 . 100 LYS CB C 31.960 0.12 1 936 . 100 LYS HB2 H 1.870 0.03 2 937 . 100 LYS HB3 H 1.740 0.03 2 938 . 100 LYS CG C 25.310 0.12 1 939 . 100 LYS HG2 H 1.450 0.03 2 940 . 100 LYS CD C 29.010 0.12 1 941 . 100 LYS CE C 42.160 0.12 1 942 . 100 LYS HE2 H 3.010 0.03 2 943 . 100 LYS C C 178.390 0.12 1 944 . 101 THR N N 112.631 0.15 1 945 . 101 THR H H 8.362 0.03 1 946 . 101 THR CA C 63.200 0.12 1 947 . 101 THR HA H 3.730 0.03 1 948 . 101 THR CB C 69.433 0.12 1 949 . 101 THR HB H 4.280 0.03 1 950 . 101 THR CG2 C 21.920 0.12 1 951 . 101 THR HG2 H 1.250 0.03 1 952 . 101 THR C C 176.280 0.12 1 953 . 102 ALA N N 124.974 0.15 1 954 . 102 ALA H H 7.899 0.03 1 955 . 102 ALA CA C 53.300 0.12 1 956 . 102 ALA HA H 4.270 0.03 1 957 . 102 ALA CB C 19.550 0.12 1 958 . 102 ALA HB H 1.370 0.03 1 959 . 102 ALA C C 178.590 0.12 1 960 . 103 LYS N N 117.936 0.15 1 961 . 103 LYS H H 7.952 0.03 1 962 . 103 LYS CA C 56.996 0.12 1 963 . 103 LYS HA H 4.230 0.03 1 964 . 103 LYS CB C 32.283 0.12 1 965 . 103 LYS HB2 H 1.770 0.03 2 966 . 103 LYS HB3 H 1.710 0.03 2 967 . 103 LYS CG C 24.400 0.12 1 968 . 103 LYS HG2 H 1.370 0.03 2 969 . 103 LYS HE2 H 2.810 0.03 2 970 . 103 LYS C C 177.320 0.12 1 971 . 104 ASP N N 119.041 0.15 1 972 . 104 ASP H H 8.013 0.03 1 973 . 104 ASP CA C 54.641 0.12 1 974 . 104 ASP HA H 4.180 0.03 1 975 . 104 ASP CB C 41.274 0.12 1 976 . 104 ASP HB2 H 2.630 0.03 2 977 . 104 ASP HB3 H 2.780 0.03 2 978 . 104 ASP C C 176.700 0.12 1 979 . 105 ASP N N 120.211 0.15 1 980 . 105 ASP H H 7.974 0.03 1 981 . 105 ASP CA C 54.881 0.12 1 982 . 105 ASP HA H 4.600 0.03 1 983 . 105 ASP CB C 40.901 0.12 1 984 . 105 ASP HB2 H 2.730 0.03 2 985 . 105 ASP C C 177.080 0.12 1 986 . 106 SER N N 115.411 0.15 1 987 . 106 SER H H 8.283 0.03 1 988 . 106 SER CA C 58.871 0.12 1 989 . 106 SER HA H 4.430 0.03 1 990 . 106 SER CB C 63.992 0.12 1 991 . 106 SER HB2 H 3.910 0.03 2 992 . 106 SER C C 174.570 0.12 1 993 . 107 ALA N N 125.954 0.15 1 994 . 107 ALA H H 7.986 0.03 1 995 . 107 ALA CA C 50.568 0.12 1 996 . 107 ALA HA H 3.810 0.03 1 997 . 107 ALA CB C 18.960 0.12 1 998 . 107 ALA HB H 1.380 0.03 1 999 . 108 PRO CA C 63.000 0.12 1 1000 . 108 PRO CB C 31.787 0.12 1 1001 . 108 PRO HB2 H 2.140 0.03 2 1002 . 108 PRO CG C 27.410 0.12 1 1003 . 108 PRO HG2 H 1.940 0.03 2 1004 . 108 PRO HG3 H 1.810 0.03 2 1005 . 108 PRO C C 177.550 0.12 1 1006 . 109 ARG N N 121.673 0.15 1 1007 . 109 ARG H H 8.585 0.03 1 1008 . 109 ARG CA C 55.591 0.12 1 1009 . 109 ARG HA H 4.450 0.03 1 1010 . 109 ARG CB C 30.415 0.12 1 1011 . 109 ARG HB2 H 1.870 0.03 2 1012 . 109 ARG HG2 H 1.710 0.03 2 1013 . 109 ARG HD2 H 3.130 0.03 2 1014 . 109 ARG C C 176.880 0.12 1 1015 . 110 GLU N N 121.141 0.15 1 1016 . 110 GLU H H 8.432 0.03 1 1017 . 110 GLU CA C 56.327 0.12 1 1018 . 110 GLU HA H 4.240 0.03 1 1019 . 110 GLU CB C 30.113 0.12 1 1020 . 110 GLU HB2 H 1.950 0.03 2 1021 . 110 GLU CG C 36.320 0.12 1 1022 . 110 GLU HG2 H 2.170 0.03 2 1023 . 110 GLU C C 176.480 0.12 1 1024 . 111 LYS N N 124.387 0.15 1 1025 . 111 LYS H H 7.834 0.03 1 1026 . 111 LYS CA C 57.380 0.12 1 1027 . 111 LYS HA H 4.490 0.03 1 1028 . 111 LYS CB C 34.111 0.12 1 1029 . 111 LYS CG C 25.210 0.12 1 1030 . 111 LYS HE2 H 3.050 0.03 2 1031 . 111 LYS C C 175.100 0.12 1 1032 . 112 SER N N 120.399 0.15 1 1033 . 112 SER H H 8.471 0.03 1 1034 . 112 SER CA C 57.898 0.12 1 1035 . 112 SER HA H 4.270 0.03 1 1036 . 112 SER CB C 64.940 0.12 1 1037 . 112 SER HB2 H 3.980 0.03 2 1038 . 112 SER C C 175.860 0.12 1 1039 . 113 GLN N N 122.330 0.15 1 1040 . 113 GLN H H 8.893 0.03 1 1041 . 113 GLN CA C 59.568 0.12 1 1042 . 113 GLN HA H 3.980 0.03 1 1043 . 113 GLN CB C 27.772 0.12 1 1044 . 113 GLN HB2 H 1.890 0.03 2 1045 . 113 GLN HG2 H 2.710 0.03 2 1046 . 113 GLN HG3 H 2.410 0.03 2 1047 . 113 GLN NE2 N 110.710 0.15 1 1048 . 113 GLN HE22 H 7.460 0.03 2 1049 . 113 GLN HE21 H 6.980 0.03 2 1050 . 113 GLN C C 179.290 0.12 1 1051 . 114 LYS N N 119.888 0.15 1 1052 . 114 LYS H H 8.230 0.03 1 1053 . 114 LYS CA C 59.196 0.12 1 1054 . 114 LYS HA H 3.990 0.03 1 1055 . 114 LYS CB C 31.812 0.12 1 1056 . 114 LYS HB2 H 1.820 0.03 2 1057 . 114 LYS CG C 24.730 0.12 1 1058 . 114 LYS HG2 H 1.370 0.03 2 1059 . 114 LYS C C 178.320 0.12 1 1060 . 115 ALA N N 121.531 0.15 1 1061 . 115 ALA H H 7.795 0.03 1 1062 . 115 ALA CA C 54.989 0.12 1 1063 . 115 ALA HA H 4.230 0.03 1 1064 . 115 ALA CB C 18.840 0.12 1 1065 . 115 ALA HB H 1.570 0.03 1 1066 . 115 ALA C C 181.720 0.12 1 1067 . 116 ILE N N 117.772 0.15 1 1068 . 116 ILE H H 7.785 0.03 1 1069 . 116 ILE CA C 65.858 0.12 1 1070 . 116 ILE HA H 3.980 0.03 1 1071 . 116 ILE CB C 37.935 0.12 1 1072 . 116 ILE CD1 C 14.650 0.12 1 1073 . 116 ILE HD1 H 0.970 0.03 1 1074 . 116 ILE C C 178.260 0.12 1 1075 . 117 GLN N N 118.193 0.15 1 1076 . 117 GLN H H 8.412 0.03 1 1077 . 117 GLN CA C 59.984 0.12 1 1078 . 117 GLN HA H 4.170 0.03 1 1079 . 117 GLN CB C 27.700 0.12 1 1080 . 117 GLN HB2 H 2.110 0.03 2 1081 . 117 GLN HG2 H 2.390 0.03 2 1082 . 117 GLN NE2 N 111.950 0.15 1 1083 . 117 GLN HE22 H 6.930 0.03 2 1084 . 117 GLN HE21 H 7.570 0.03 2 1085 . 117 GLN C C 178.460 0.12 1 1086 . 118 ASP N N 119.433 0.15 1 1087 . 118 ASP H H 8.461 0.03 1 1088 . 118 ASP CA C 57.511 0.12 1 1089 . 118 ASP HA H 4.280 0.03 1 1090 . 118 ASP CB C 40.088 0.12 1 1091 . 118 ASP HB2 H 2.870 0.03 2 1092 . 118 ASP C C 180.030 0.12 1 1093 . 119 GLU N N 120.998 0.15 1 1094 . 119 GLU H H 7.732 0.03 1 1095 . 119 GLU CA C 59.727 0.12 1 1096 . 119 GLU HA H 4.100 0.03 1 1097 . 119 GLU CB C 32.546 0.12 1 1098 . 119 GLU CG C 36.420 0.12 1 1099 . 119 GLU HG2 H 2.290 0.03 2 1100 . 119 GLU C C 180.870 0.12 1 1101 . 120 ILE N N 121.511 0.15 1 1102 . 120 ILE H H 8.198 0.03 1 1103 . 120 ILE CA C 66.407 0.12 1 1104 . 120 ILE HA H 3.760 0.03 1 1105 . 120 ILE CB C 36.791 0.12 1 1106 . 120 ILE HB H -1.280 0.03 1 1107 . 120 ILE HG12 H 0.960 0.03 2 1108 . 120 ILE HG13 H 1.150 0.03 2 1109 . 120 ILE CD1 C 14.700 0.12 1 1110 . 120 ILE HD1 H 0.240 0.03 1 1111 . 120 ILE CG2 C 16.640 0.12 1 1112 . 120 ILE HG2 H -0.120 0.03 1 1113 . 120 ILE C C 178.360 0.12 1 1114 . 121 ARG N N 120.159 0.15 1 1115 . 121 ARG H H 8.656 0.03 1 1116 . 121 ARG CA C 59.963 0.12 1 1117 . 121 ARG HA H 3.680 0.03 1 1118 . 121 ARG CB C 29.066 0.12 1 1119 . 121 ARG CG C 30.580 0.12 1 1120 . 121 ARG C C 178.700 0.12 1 1121 . 122 SER N N 112.580 0.15 1 1122 . 122 SER H H 7.530 0.03 1 1123 . 122 SER CA C 62.233 0.12 1 1124 . 122 SER HA H 4.240 0.03 1 1125 . 122 SER CB C 63.005 0.12 1 1126 . 122 SER HB2 H 4.090 0.03 2 1127 . 122 SER C C 177.660 0.12 1 1128 . 123 VAL N N 123.652 0.15 1 1129 . 123 VAL H H 7.828 0.03 1 1130 . 123 VAL CA C 66.923 0.12 1 1131 . 123 VAL HA H 3.860 0.03 1 1132 . 123 VAL CB C 31.427 0.12 1 1133 . 123 VAL HB H 2.310 0.03 1 1134 . 123 VAL CG2 C 23.710 0.12 1 1135 . 123 VAL HG2 H 1.110 0.03 1 1136 . 123 VAL CG1 C 21.460 0.12 1 1137 . 123 VAL HG1 H 1.290 0.03 1 1138 . 123 VAL C C 179.240 0.12 1 1139 . 124 ILE N N 120.611 0.15 1 1140 . 124 ILE H H 8.779 0.03 1 1141 . 124 ILE CA C 64.805 0.12 1 1142 . 124 ILE HA H 3.840 0.03 1 1143 . 124 ILE CB C 35.867 0.12 1 1144 . 124 ILE HB H 1.930 0.03 1 1145 . 124 ILE HG12 H 1.720 0.03 2 1146 . 124 ILE CD1 C 12.300 0.12 1 1147 . 124 ILE HD1 H 0.730 0.03 1 1148 . 124 ILE CG2 C 18.670 0.12 1 1149 . 124 ILE HG2 H 0.980 0.03 1 1150 . 124 ILE C C 179.710 0.12 1 1151 . 125 ARG N N 119.947 0.15 1 1152 . 125 ARG H H 8.870 0.03 1 1153 . 125 ARG CA C 60.030 0.12 1 1154 . 125 ARG HA H 4.100 0.03 1 1155 . 125 ARG CB C 29.584 0.12 1 1156 . 125 ARG HB2 H 1.270 0.03 2 1157 . 125 ARG CD C 39.580 0.12 1 1158 . 125 ARG C C 180.020 0.12 1 1159 . 126 GLN N N 119.522 0.15 1 1160 . 126 GLN H H 7.913 0.03 1 1161 . 126 GLN CA C 59.076 0.12 1 1162 . 126 GLN HA H 4.300 0.03 1 1163 . 126 GLN CB C 27.943 0.12 1 1164 . 126 GLN HB2 H 2.440 0.03 2 1165 . 126 GLN HG2 H 2.710 0.03 2 1166 . 126 GLN NE2 N 109.380 0.15 1 1167 . 126 GLN HE22 H 7.300 0.03 2 1168 . 126 GLN HE21 H 6.880 0.03 2 1169 . 126 GLN C C 180.250 0.12 1 1170 . 127 ILE N N 122.579 0.15 1 1171 . 127 ILE H H 8.624 0.03 1 1172 . 127 ILE CA C 67.279 0.12 1 1173 . 127 ILE HA H 3.850 0.03 1 1174 . 127 ILE CB C 37.621 0.12 1 1175 . 127 ILE HB H 2.370 0.03 1 1176 . 127 ILE HG12 H 1.290 0.03 2 1177 . 127 ILE CD1 C 13.330 0.12 1 1178 . 127 ILE HD1 H 1.130 0.03 1 1179 . 127 ILE CG2 C 15.850 0.12 1 1180 . 127 ILE HG2 H 0.820 0.03 1 1181 . 127 ILE C C 178.960 0.12 1 1182 . 128 THR N N 113.640 0.15 1 1183 . 128 THR H H 8.326 0.03 1 1184 . 128 THR CA C 65.713 0.12 1 1185 . 128 THR HA H 4.410 0.03 1 1186 . 128 THR CB C 68.828 0.12 1 1187 . 128 THR HB H 4.310 0.03 1 1188 . 128 THR CG2 C 21.940 0.12 1 1189 . 128 THR HG2 H 1.370 0.03 1 1190 . 128 THR C C 177.070 0.12 1 1191 . 129 ALA N N 122.752 0.15 1 1192 . 129 ALA H H 8.020 0.03 1 1193 . 129 ALA CA C 53.995 0.12 1 1194 . 129 ALA HA H 4.380 0.03 1 1195 . 129 ALA CB C 19.200 0.12 1 1196 . 129 ALA HB H 1.650 0.03 1 1197 . 129 ALA C C 180.360 0.12 1 1198 . 130 THR N N 113.148 0.15 1 1199 . 130 THR H H 7.977 0.03 1 1200 . 130 THR CA C 65.571 0.12 1 1201 . 130 THR HA H 4.130 0.03 1 1202 . 130 THR CB C 68.920 0.12 1 1203 . 130 THR HB H 3.810 0.03 1 1204 . 130 THR CG2 C 22.110 0.12 1 1205 . 130 THR HG2 H 1.480 0.03 1 1206 . 130 THR C C 176.510 0.12 1 1207 . 131 VAL N N 117.538 0.15 1 1208 . 131 VAL H H 7.365 0.03 1 1209 . 131 VAL CA C 64.971 0.12 1 1210 . 131 VAL HA H 3.740 0.03 1 1211 . 131 VAL CB C 30.765 0.12 1 1212 . 131 VAL HB H 2.340 0.03 1 1213 . 131 VAL CG2 C 21.400 0.12 1 1214 . 131 VAL HG2 H 1.130 0.03 1 1215 . 131 VAL CG1 C 21.920 0.12 1 1216 . 131 VAL HG1 H 1.080 0.03 1 1217 . 131 VAL C C 177.520 0.12 1 1218 . 132 THR N N 110.967 0.15 1 1219 . 132 THR H H 7.489 0.03 1 1220 . 132 THR CA C 64.541 0.12 1 1221 . 132 THR HA H 4.160 0.03 1 1222 . 132 THR CB C 69.375 0.12 1 1223 . 132 THR HB H 3.760 0.03 1 1224 . 132 THR CG2 C 22.140 0.12 1 1225 . 132 THR HG2 H 1.260 0.03 1 1226 . 132 THR C C 175.590 0.12 1 1227 . 133 PHE N N 116.374 0.15 1 1228 . 133 PHE H H 7.352 0.03 1 1229 . 133 PHE CA C 57.004 0.12 1 1230 . 133 PHE HA H 4.890 0.03 1 1231 . 133 PHE CB C 39.952 0.12 1 1232 . 133 PHE HB2 H 3.200 0.03 2 1233 . 133 PHE HB3 H 3.010 0.03 2 1234 . 133 PHE HD1 H 6.970 0.03 1 1235 . 133 PHE HD2 H 6.970 0.03 1 1236 . 133 PHE C C 175.750 0.12 1 1237 . 134 LEU N N 123.493 0.15 1 1238 . 134 LEU H H 7.191 0.03 1 1239 . 134 LEU CA C 53.010 0.12 1 1240 . 134 LEU HA H 3.930 0.03 1 1241 . 134 LEU CB C 40.123 0.12 1 1242 . 134 LEU CD1 C 26.390 0.12 1 1243 . 134 LEU HD1 H 0.820 0.03 1 1244 . 134 LEU CD2 C 23.250 0.12 1 1245 . 134 LEU HD2 H 0.330 0.03 1 1246 . 135 PRO CA C 62.968 0.12 1 1247 . 135 PRO CB C 31.567 0.12 1 1248 . 135 PRO HB2 H 2.270 0.03 2 1249 . 135 PRO C C 177.240 0.12 1 1250 . 136 LEU N N 122.883 0.15 1 1251 . 136 LEU H H 8.252 0.03 1 1252 . 136 LEU CA C 55.464 0.12 1 1253 . 136 LEU HA H 4.300 0.03 1 1254 . 136 LEU CB C 41.571 0.12 1 1255 . 136 LEU HB2 H 1.580 0.03 2 1256 . 136 LEU HB3 H 1.440 0.03 2 1257 . 136 LEU CD1 C 24.510 0.12 1 1258 . 136 LEU HD1 H 0.870 0.03 1 1259 . 136 LEU C C 178.340 0.12 1 1260 . 137 LEU N N 125.144 0.15 1 1261 . 137 LEU H H 8.529 0.03 1 1262 . 137 LEU CA C 54.582 0.12 1 1263 . 137 LEU HA H 4.470 0.03 1 1264 . 137 LEU CB C 40.610 0.12 1 1265 . 137 LEU CD1 C 26.540 0.12 1 1266 . 137 LEU HD1 H 1.100 0.03 1 1267 . 137 LEU C C 177.920 0.12 1 1268 . 138 GLU N N 122.109 0.15 1 1269 . 138 GLU H H 8.733 0.03 1 1270 . 138 GLU CA C 57.184 0.12 1 1271 . 138 GLU HA H 4.480 0.03 1 1272 . 138 GLU CB C 29.942 0.12 1 1273 . 138 GLU HB2 H 2.040 0.03 2 1274 . 138 GLU HB3 H 1.920 0.03 2 1275 . 138 GLU CG C 37.080 0.12 1 1276 . 138 GLU HG2 H 2.210 0.03 2 1277 . 138 GLU C C 176.590 0.12 1 1278 . 139 VAL N N 111.429 0.15 1 1279 . 139 VAL H H 7.163 0.03 1 1280 . 139 VAL CA C 58.848 0.12 1 1281 . 139 VAL HA H 4.520 0.03 1 1282 . 139 VAL CB C 33.873 0.12 1 1283 . 139 VAL HB H 2.340 0.03 1 1284 . 139 VAL CG2 C 18.380 0.12 1 1285 . 139 VAL HG2 H 0.780 0.03 1 1286 . 139 VAL CG1 C 22.100 0.12 1 1287 . 139 VAL HG1 H 0.940 0.03 1 1288 . 139 VAL C C 176.010 0.12 1 1289 . 140 SER N N 117.311 0.15 1 1290 . 140 SER H H 8.446 0.03 1 1291 . 140 SER CA C 59.690 0.12 1 1292 . 140 SER HA H 4.530 0.03 1 1293 . 140 SER CB C 63.171 0.12 1 1294 . 140 SER HB2 H 3.860 0.03 2 1295 . 140 SER C C 175.590 0.12 1 1296 . 141 CYS N N 122.753 0.15 1 1297 . 141 CYS H H 8.693 0.03 1 1298 . 141 CYS CA C 59.185 0.12 1 1299 . 141 CYS HA H 5.640 0.03 1 1300 . 141 CYS CB C 32.839 0.12 1 1301 . 141 CYS HB2 H 2.770 0.03 2 1302 . 141 CYS HB3 H 2.840 0.03 2 1303 . 141 CYS C C 174.650 0.12 1 1304 . 142 SER N N 115.100 0.15 1 1305 . 142 SER H H 8.943 0.03 1 1306 . 142 SER CA C 55.822 0.12 1 1307 . 142 SER HA H 3.920 0.03 1 1308 . 142 SER CB C 65.615 0.12 1 1309 . 142 SER HB2 H 3.640 0.03 2 1310 . 142 SER C C 173.730 0.12 1 1311 . 143 PHE N N 116.795 0.15 1 1312 . 143 PHE H H 8.283 0.03 1 1313 . 143 PHE CA C 54.629 0.12 1 1314 . 143 PHE HA H 6.360 0.03 1 1315 . 143 PHE CB C 42.726 0.12 1 1316 . 143 PHE HB2 H 3.130 0.03 2 1317 . 143 PHE HD1 H 7.180 0.03 1 1318 . 143 PHE HE1 H 7.520 0.03 1 1319 . 143 PHE HE2 H 7.520 0.03 1 1320 . 143 PHE HD2 H 7.180 0.03 1 1321 . 143 PHE C C 172.400 0.12 1 1322 . 144 ASP N N 119.485 0.15 1 1323 . 144 ASP H H 8.818 0.03 1 1324 . 144 ASP CA C 52.580 0.12 1 1325 . 144 ASP HA H 4.510 0.03 1 1326 . 144 ASP CB C 45.049 0.12 1 1327 . 144 ASP HB2 H 2.360 0.03 2 1328 . 144 ASP C C 174.550 0.12 1 1329 . 145 LEU N N 125.693 0.15 1 1330 . 145 LEU H H 8.650 0.03 1 1331 . 145 LEU CA C 54.289 0.12 1 1332 . 145 LEU HA H 5.590 0.03 1 1333 . 145 LEU CB C 44.713 0.12 1 1334 . 145 LEU HB2 H 2.040 0.03 2 1335 . 145 LEU HB3 H 1.860 0.03 2 1336 . 145 LEU CD1 C 27.490 0.12 1 1337 . 145 LEU HD1 H 1.250 0.03 1 1338 . 145 LEU CD2 C 26.800 0.12 1 1339 . 145 LEU HD2 H 1.250 0.03 1 1340 . 145 LEU C C 174.720 0.12 1 1341 . 146 LEU N N 122.990 0.15 1 1342 . 146 LEU H H 9.553 0.03 1 1343 . 146 LEU CA C 52.487 0.12 1 1344 . 146 LEU HA H 6.220 0.03 1 1345 . 146 LEU CB C 46.081 0.12 1 1346 . 146 LEU CD1 C 26.080 0.12 1 1347 . 146 LEU HD1 H 0.690 0.03 1 1348 . 146 LEU CD2 C 24.790 0.12 1 1349 . 146 LEU HD2 H 0.870 0.03 1 1350 . 146 LEU C C 178.400 0.12 1 1351 . 147 ILE N N 114.032 0.15 1 1352 . 147 ILE H H 9.625 0.03 1 1353 . 147 ILE CA C 58.318 0.12 1 1354 . 147 ILE HA H 5.450 0.03 1 1355 . 147 ILE CB C 42.410 0.12 1 1356 . 147 ILE CD1 C 15.470 0.12 1 1357 . 147 ILE HD1 H 0.180 0.03 1 1358 . 147 ILE CG2 C 20.330 0.12 1 1359 . 147 ILE HG2 H 1.080 0.03 1 1360 . 147 ILE C C 175.080 0.12 1 1361 . 148 TYR N N 120.570 0.15 1 1362 . 148 TYR H H 8.173 0.03 1 1363 . 148 TYR CA C 56.193 0.12 1 1364 . 148 TYR CB C 40.503 0.12 1 1365 . 148 TYR CD1 C 132.820 0.12 1 1366 . 148 TYR HD1 H 5.450 0.03 1 1367 . 148 TYR HE1 H 6.530 0.03 1 1368 . 148 TYR HE2 H 6.530 0.03 1 1369 . 148 TYR CD2 C 132.820 0.12 1 1370 . 148 TYR HD2 H 5.450 0.03 1 1371 . 148 TYR C C 175.280 0.12 1 1372 . 149 THR N N 120.566 0.15 1 1373 . 149 THR H H 7.321 0.03 1 1374 . 149 THR CA C 58.479 0.12 1 1375 . 149 THR HA H 4.530 0.03 1 1376 . 149 THR CB C 70.063 0.12 1 1377 . 149 THR HB H 3.770 0.03 1 1378 . 149 THR CG2 C 19.800 0.12 1 1379 . 149 THR HG2 H 0.680 0.03 1 1380 . 150 ASP N N 122.381 0.15 1 1381 . 150 ASP H H 8.209 0.03 1 1382 . 150 ASP CA C 54.106 0.12 1 1383 . 150 ASP HA H 4.450 0.03 1 1384 . 150 ASP CB C 41.078 0.12 1 1385 . 150 ASP HB2 H 2.570 0.03 2 1386 . 150 ASP C C 177.600 0.12 1 1387 . 151 LYS N N 121.030 0.15 1 1388 . 151 LYS H H 8.191 0.03 1 1389 . 151 LYS CA C 55.241 0.12 1 1390 . 151 LYS HA H 4.410 0.03 1 1391 . 151 LYS CB C 32.886 0.12 1 1392 . 151 LYS HB2 H 1.530 0.03 2 1393 . 151 LYS CG C 36.220 0.12 1 1394 . 151 LYS HG2 H 1.340 0.03 2 1395 . 151 LYS C C 176.590 0.12 1 1396 . 152 ASP N N 119.633 0.15 1 1397 . 152 ASP H H 8.222 0.03 1 1398 . 152 ASP CA C 54.588 0.12 1 1399 . 152 ASP HA H 4.460 0.03 1 1400 . 152 ASP CB C 39.914 0.12 1 1401 . 152 ASP HB2 H 2.490 0.03 2 1402 . 152 ASP HB3 H 2.610 0.03 2 1403 . 152 ASP C C 176.010 0.12 1 1404 . 153 LEU N N 122.528 0.15 1 1405 . 153 LEU H H 7.484 0.03 1 1406 . 153 LEU CA C 54.705 0.12 1 1407 . 153 LEU HA H 4.190 0.03 1 1408 . 153 LEU CB C 43.349 0.12 1 1409 . 153 LEU HB2 H 1.260 0.03 2 1410 . 153 LEU CG C 26.540 0.12 1 1411 . 153 LEU HG H 1.100 0.03 1 1412 . 153 LEU CD1 C 23.880 0.12 1 1413 . 153 LEU HD1 H 0.300 0.03 1 1414 . 153 LEU CD2 C 24.120 0.12 1 1415 . 153 LEU HD2 H 0.040 0.03 1 1416 . 153 LEU C C 177.080 0.12 1 1417 . 154 VAL N N 124.079 0.15 1 1418 . 154 VAL H H 8.065 0.03 1 1419 . 154 VAL CA C 62.372 0.12 1 1420 . 154 VAL HA H 4.030 0.03 1 1421 . 154 VAL CB C 30.677 0.12 1 1422 . 154 VAL HB H 1.970 0.03 1 1423 . 154 VAL CG2 C 21.170 0.12 1 1424 . 154 VAL HG2 H 0.930 0.03 1 1425 . 154 VAL CG1 C 21.470 0.12 1 1426 . 154 VAL HG1 H 0.850 0.03 1 1427 . 154 VAL C C 176.730 0.12 1 1428 . 155 VAL N N 126.005 0.15 1 1429 . 155 VAL H H 8.006 0.03 1 1430 . 155 VAL CA C 59.944 0.12 1 1431 . 155 VAL HA H 4.160 0.03 1 1432 . 155 VAL CB C 31.099 0.12 1 1433 . 155 VAL HB H 1.770 0.03 1 1434 . 155 VAL CG2 C 20.350 0.12 1 1435 . 155 VAL HG2 H 0.500 0.03 1 1436 . 155 VAL CG1 C 21.620 0.12 1 1437 . 155 VAL HG1 H 0.260 0.03 1 1438 . 156 PRO CA C 62.507 0.12 1 1439 . 156 PRO HA H 4.590 0.03 1 1440 . 156 PRO CB C 31.904 0.12 1 1441 . 156 PRO HB2 H 2.380 0.03 2 1442 . 156 PRO HB3 H 2.060 0.03 2 1443 . 156 PRO CG C 27.510 0.12 1 1444 . 156 PRO HG2 H 1.780 0.03 2 1445 . 156 PRO HD2 H 3.150 0.03 2 1446 . 156 PRO HD3 H 3.060 0.03 2 1447 . 156 PRO C C 177.130 0.12 1 1448 . 157 GLU N N 118.524 0.15 1 1449 . 157 GLU H H 8.379 0.03 1 1450 . 157 GLU CA C 58.830 0.12 1 1451 . 157 GLU HA H 4.170 0.03 1 1452 . 157 GLU CB C 29.578 0.12 1 1453 . 157 GLU HB2 H 2.070 0.03 2 1454 . 157 GLU CG C 36.280 0.12 1 1455 . 157 GLU HG2 H 2.360 0.03 2 1456 . 157 GLU C C 177.520 0.12 1 1457 . 158 LYS N N 115.341 0.15 1 1458 . 158 LYS H H 8.144 0.03 1 1459 . 158 LYS CA C 58.579 0.12 1 1460 . 158 LYS HA H 3.990 0.03 1 1461 . 158 LYS CB C 30.822 0.12 1 1462 . 158 LYS HB2 H 1.560 0.03 2 1463 . 158 LYS CG C 25.690 0.12 1 1464 . 158 LYS HG2 H 1.390 0.03 2 1465 . 158 LYS CD C 28.630 0.12 1 1466 . 158 LYS HD2 H 1.660 0.03 2 1467 . 158 LYS CE C 42.180 0.12 1 1468 . 158 LYS HE2 H 2.990 0.03 2 1469 . 158 LYS C C 177.010 0.12 1 1470 . 159 TRP N N 119.493 0.15 1 1471 . 159 TRP H H 7.792 0.03 1 1472 . 159 TRP CA C 57.656 0.12 1 1473 . 159 TRP HA H 5.050 0.03 1 1474 . 159 TRP CB C 28.859 0.12 1 1475 . 159 TRP HB2 H 3.030 0.03 2 1476 . 159 TRP HB3 H 3.200 0.03 2 1477 . 159 TRP CD1 C 127.010 0.12 1 1478 . 159 TRP HD1 H 7.030 0.03 1 1479 . 159 TRP NE1 N 130.460 0.15 1 1480 . 159 TRP HE1 H 10.020 0.03 1 1481 . 159 TRP CZ2 C 114.240 0.12 1 1482 . 159 TRP HZ2 H 6.880 0.03 1 1483 . 159 TRP HH2 H 7.200 0.03 1 1484 . 159 TRP HZ3 H 7.810 0.03 1 1485 . 159 TRP CE3 C 121.300 0.12 1 1486 . 159 TRP HE3 H 7.440 0.03 1 1487 . 159 TRP C C 176.660 0.12 1 1488 . 160 GLU N N 121.299 0.15 1 1489 . 160 GLU H H 9.531 0.03 1 1490 . 160 GLU CA C 54.661 0.12 1 1491 . 160 GLU HA H 4.920 0.03 1 1492 . 160 GLU CB C 32.497 0.12 1 1493 . 160 GLU HB2 H 2.150 0.03 2 1494 . 160 GLU CG C 35.910 0.12 1 1495 . 160 GLU HG2 H 2.330 0.03 2 1496 . 160 GLU C C 177.380 0.12 1 1497 . 161 GLU N N 123.959 0.15 1 1498 . 161 GLU H H 9.120 0.03 1 1499 . 161 GLU CA C 58.377 0.12 1 1500 . 161 GLU HA H 4.280 0.03 1 1501 . 161 GLU CB C 29.269 0.12 1 1502 . 161 GLU HB2 H 2.080 0.03 2 1503 . 161 GLU CG C 36.790 0.12 1 1504 . 161 GLU HG2 H 2.420 0.03 2 1505 . 161 GLU C C 177.250 0.12 1 1506 . 162 SER N N 119.171 0.15 1 1507 . 162 SER H H 8.093 0.03 1 1508 . 162 SER CA C 56.236 0.12 1 1509 . 162 SER HA H 4.290 0.03 1 1510 . 162 SER CB C 65.075 0.12 1 1511 . 162 SER HB2 H 3.280 0.03 2 1512 . 162 SER HB3 H 3.800 0.03 2 1513 . 162 SER C C 174.450 0.12 1 1514 . 163 GLY N N 110.713 0.15 1 1515 . 163 GLY H H 8.266 0.03 1 1516 . 163 GLY CA C 44.388 0.12 1 1517 . 163 GLY HA2 H 4.280 0.03 2 1518 . 163 GLY HA3 H 3.750 0.03 2 1519 . 164 PRO CA C 62.479 0.12 1 1520 . 164 PRO CB C 29.997 0.12 1 1521 . 164 PRO CG C 21.780 0.12 1 1522 . 164 PRO HG2 H 0.910 0.03 2 1523 . 164 PRO HG3 H 1.210 0.03 2 1524 . 164 PRO CD C 42.090 0.12 1 1525 . 164 PRO HD2 H 2.810 0.03 2 1526 . 164 PRO C C 176.180 0.12 1 1527 . 165 GLN N N 113.597 0.15 1 1528 . 165 GLN H H 7.804 0.03 1 1529 . 165 GLN CA C 55.711 0.12 1 1530 . 165 GLN HA H 3.550 0.03 1 1531 . 165 GLN CB C 26.141 0.12 1 1532 . 165 GLN HB2 H 1.850 0.03 2 1533 . 165 GLN CG C 33.500 0.12 1 1534 . 165 GLN HG2 H 2.010 0.03 2 1535 . 165 GLN NE2 N 111.950 0.15 1 1536 . 165 GLN HE22 H 6.800 0.03 2 1537 . 165 GLN HE21 H 6.760 0.03 2 1538 . 165 GLN C C 175.080 0.12 1 1539 . 166 PHE N N 113.309 0.15 1 1540 . 166 PHE H H 7.247 0.03 1 1541 . 166 PHE CA C 57.456 0.12 1 1542 . 166 PHE HA H 4.210 0.03 1 1543 . 166 PHE CB C 38.954 0.12 1 1544 . 166 PHE HB2 H 2.990 0.03 2 1545 . 166 PHE HB3 H 2.560 0.03 2 1546 . 166 PHE HD1 H 7.060 0.03 1 1547 . 166 PHE HD2 H 7.060 0.03 1 1548 . 166 PHE C C 177.420 0.12 1 1549 . 167 ILE N N 120.660 0.15 1 1550 . 167 ILE H H 8.250 0.03 1 1551 . 167 ILE CA C 60.355 0.12 1 1552 . 167 ILE HA H 4.280 0.03 1 1553 . 167 ILE CB C 38.960 0.12 1 1554 . 167 ILE CD1 C 14.610 0.12 1 1555 . 167 ILE HD1 H 0.550 0.03 1 1556 . 167 ILE CG2 C 17.640 0.12 1 1557 . 167 ILE HG2 H 0.720 0.03 1 1558 . 167 ILE C C 177.070 0.12 1 1559 . 168 THR N N 122.804 0.15 1 1560 . 168 THR H H 8.514 0.03 1 1561 . 168 THR CA C 64.475 0.12 1 1562 . 168 THR CB C 69.010 0.12 1 1563 . 168 THR HG2 H 1.160 0.03 1 1564 . 168 THR C C 174.880 0.12 1 1565 . 169 ASN N N 120.386 0.15 1 1566 . 169 ASN H H 8.392 0.03 1 1567 . 169 ASN CA C 53.564 0.12 1 1568 . 169 ASN HA H 4.050 0.03 1 1569 . 169 ASN CB C 38.152 0.12 1 1570 . 169 ASN HB2 H 2.710 0.03 2 1571 . 169 ASN HB3 H 2.890 0.03 2 1572 . 169 ASN ND2 N 114.300 0.15 1 1573 . 169 ASN HD22 H 6.900 0.03 2 1574 . 169 ASN HD21 H 7.570 0.03 2 1575 . 169 ASN C C 173.580 0.12 1 1576 . 170 SER N N 114.014 0.15 1 1577 . 170 SER H H 7.981 0.03 1 1578 . 170 SER CA C 56.766 0.12 1 1579 . 170 SER HA H 5.090 0.03 1 1580 . 170 SER CB C 67.404 0.12 1 1581 . 170 SER HB2 H 3.580 0.03 2 1582 . 170 SER C C 174.650 0.12 1 1583 . 171 GLU N N 120.350 0.15 1 1584 . 171 GLU H H 7.942 0.03 1 1585 . 171 GLU CA C 54.790 0.12 1 1586 . 171 GLU HA H 4.370 0.03 1 1587 . 171 GLU CB C 31.950 0.12 1 1588 . 171 GLU HB2 H 2.020 0.03 2 1589 . 171 GLU CG C 36.180 0.12 1 1590 . 171 GLU C C 174.580 0.12 1 1591 . 172 GLU N N 119.267 0.15 1 1592 . 172 GLU H H 8.198 0.03 1 1593 . 172 GLU CA C 54.950 0.12 1 1594 . 172 GLU HA H 5.130 0.03 1 1595 . 172 GLU CB C 32.960 0.12 1 1596 . 172 GLU HB2 H 1.940 0.03 2 1597 . 172 GLU CG C 36.520 0.12 1 1598 . 172 GLU C C 176.630 0.12 1 1599 . 173 VAL N N 124.014 0.15 1 1600 . 173 VAL H H 9.246 0.03 1 1601 . 173 VAL CA C 61.650 0.12 1 1602 . 173 VAL HA H 5.220 0.03 1 1603 . 173 VAL CB C 33.800 0.12 1 1604 . 173 VAL CG2 C 21.430 0.12 1 1605 . 173 VAL HG2 H 0.880 0.03 1 1606 . 173 VAL C C 175.390 0.12 1 1607 . 174 ARG N N 126.897 0.15 1 1608 . 174 ARG H H 8.654 0.03 1 1609 . 174 ARG CA C 56.380 0.12 1 1610 . 174 ARG HA H 4.370 0.03 1 1611 . 174 ARG CB C 29.700 0.12 1 1612 . 174 ARG HB2 H 1.750 0.03 2 1613 . 174 ARG CG C 27.310 0.12 1 1614 . 174 ARG CD C 43.220 0.12 1 1615 . 174 ARG HD2 H 3.230 0.03 2 1616 . 174 ARG C C 176.450 0.12 1 1617 . 175 LEU N N 126.173 0.15 1 1618 . 175 LEU H H 8.419 0.03 1 1619 . 175 LEU CA C 53.820 0.12 1 1620 . 175 LEU CB C 40.740 0.12 1 1621 . 175 LEU CD1 C 26.000 0.12 1 1622 . 175 LEU HD1 H 1.000 0.03 1 1623 . 175 LEU C C 177.290 0.12 1 1624 . 176 ARG N N 119.662 0.15 1 1625 . 176 ARG H H 8.439 0.03 1 1626 . 176 ARG CA C 56.765 0.12 1 1627 . 176 ARG HA H 4.510 0.03 1 1628 . 176 ARG CB C 31.829 0.12 1 1629 . 176 ARG HB2 H 1.800 0.03 2 1630 . 176 ARG CG C 28.310 0.12 1 1631 . 176 ARG C C 175.580 0.12 1 1632 . 177 SER N N 113.869 0.15 1 1633 . 177 SER H H 8.269 0.03 1 1634 . 177 SER CA C 57.399 0.12 1 1635 . 177 SER HA H 5.390 0.03 1 1636 . 177 SER CB C 66.096 0.12 1 1637 . 177 SER HB2 H 3.690 0.03 2 1638 . 177 SER C C 174.600 0.12 1 1639 . 178 PHE N N 115.519 0.15 1 1640 . 178 PHE H H 8.223 0.03 1 1641 . 178 PHE CA C 56.375 0.12 1 1642 . 178 PHE HA H 5.180 0.03 1 1643 . 178 PHE CB C 42.783 0.12 1 1644 . 178 PHE HD1 H 6.710 0.03 1 1645 . 178 PHE CE1 C 130.300 0.12 1 1646 . 178 PHE HE1 H 6.980 0.03 1 1647 . 178 PHE HZ H 7.100 0.03 1 1648 . 178 PHE CE2 C 130.300 0.12 1 1649 . 178 PHE HE2 H 6.980 0.03 1 1650 . 178 PHE HD2 H 6.710 0.03 1 1651 . 178 PHE C C 173.110 0.12 1 1652 . 179 THR N N 111.619 0.15 1 1653 . 179 THR H H 8.833 0.03 1 1654 . 179 THR CA C 58.047 0.12 1 1655 . 179 THR HA H 5.600 0.03 1 1656 . 179 THR CB C 70.272 0.12 1 1657 . 179 THR HB H 4.000 0.03 1 1658 . 179 THR CG2 C 21.380 0.12 1 1659 . 179 THR HG2 H 1.180 0.03 1 1660 . 179 THR C C 174.620 0.12 1 1661 . 180 THR N N 116.844 0.15 1 1662 . 180 THR H H 8.994 0.03 1 1663 . 180 THR CA C 61.137 0.12 1 1664 . 180 THR HA H 5.450 0.03 1 1665 . 180 THR CB C 70.732 0.12 1 1666 . 180 THR CG2 C 23.080 0.12 1 1667 . 180 THR HG2 H 1.020 0.03 1 1668 . 180 THR C C 175.170 0.12 1 1669 . 181 THR N N 115.129 0.15 1 1670 . 181 THR H H 8.948 0.03 1 1671 . 181 THR CA C 67.369 0.12 1 1672 . 181 THR HA H 4.380 0.03 1 1673 . 181 THR CB C 67.927 0.12 1 1674 . 181 THR HB H 4.020 0.03 1 1675 . 181 THR CG2 C 23.580 0.12 1 1676 . 181 THR HG2 H 1.240 0.03 1 1677 . 181 THR C C 173.620 0.12 1 1678 . 182 ILE N N 120.609 0.15 1 1679 . 182 ILE H H 7.573 0.03 1 1680 . 182 ILE CA C 63.286 0.12 1 1681 . 182 ILE HA H 4.140 0.03 1 1682 . 182 ILE CB C 39.169 0.12 1 1683 . 182 ILE CD1 C 13.720 0.12 1 1684 . 182 ILE HD1 H 0.680 0.03 1 1685 . 182 ILE CG2 C 17.600 0.12 1 1686 . 182 ILE HG2 H 0.430 0.03 1 1687 . 182 ILE C C 175.240 0.12 1 1688 . 183 HIS N N 116.259 0.15 1 1689 . 183 HIS H H 7.670 0.03 1 1690 . 183 HIS CA C 56.908 0.12 1 1691 . 183 HIS HA H 5.200 0.03 1 1692 . 183 HIS CB C 34.194 0.12 1 1693 . 183 HIS CD2 C 117.680 0.12 1 1694 . 183 HIS HD2 H 7.160 0.03 1 1695 . 183 HIS HE2 H 11.390 0.03 1 1696 . 183 HIS CE1 C 138.740 0.12 1 1697 . 183 HIS HE1 H 8.120 0.03 1 1698 . 183 HIS C C 173.470 0.12 1 1699 . 184 LYS N N 124.625 0.15 1 1700 . 184 LYS H H 8.948 0.03 1 1701 . 184 LYS CA C 54.477 0.12 1 1702 . 184 LYS HA H 4.950 0.03 1 1703 . 184 LYS CB C 34.912 0.12 1 1704 . 184 LYS HB2 H 1.570 0.03 2 1705 . 184 LYS C C 175.010 0.12 1 1706 . 185 VAL N N 125.379 0.15 1 1707 . 185 VAL H H 8.348 0.03 1 1708 . 185 VAL CA C 60.627 0.12 1 1709 . 185 VAL HA H 4.980 0.03 1 1710 . 185 VAL CB C 32.864 0.12 1 1711 . 185 VAL CG2 C 22.350 0.12 1 1712 . 185 VAL HG2 H 0.470 0.03 1 1713 . 185 VAL CG1 C 21.730 0.12 1 1714 . 185 VAL HG1 H 0.990 0.03 1 1715 . 185 VAL C C 176.060 0.12 1 1716 . 186 ASN N N 127.315 0.15 1 1717 . 186 ASN H H 9.282 0.03 1 1718 . 186 ASN CA C 51.974 0.12 1 1719 . 186 ASN HA H 5.120 0.03 1 1720 . 186 ASN CB C 41.100 0.12 1 1721 . 186 ASN HB2 H 2.800 0.03 2 1722 . 186 ASN HB3 H 3.010 0.03 2 1723 . 186 ASN ND2 N 114.530 0.15 1 1724 . 186 ASN HD22 H 7.170 0.03 2 1725 . 186 ASN HD21 H 7.500 0.03 2 1726 . 186 ASN C C 174.880 0.12 1 1727 . 187 SER N N 116.522 0.15 1 1728 . 187 SER H H 8.201 0.03 1 1729 . 187 SER CA C 58.930 0.12 1 1730 . 187 SER HA H 5.410 0.03 1 1731 . 187 SER CB C 67.570 0.12 1 1732 . 187 SER HB2 H 3.850 0.03 2 1733 . 187 SER C C 173.560 0.12 1 1734 . 188 MET N N 121.683 0.15 1 1735 . 188 MET H H 8.463 0.03 1 1736 . 188 MET CA C 55.108 0.12 1 1737 . 188 MET HA H 4.950 0.03 1 1738 . 188 MET CB C 35.982 0.12 1 1739 . 188 MET HB2 H 2.160 0.03 2 1740 . 188 MET CG C 30.610 0.12 1 1741 . 188 MET HG2 H 2.320 0.03 2 1742 . 188 MET HG3 H 2.520 0.03 2 1743 . 188 MET CE C 17.640 0.12 1 1744 . 188 MET HE H 1.890 0.03 1 1745 . 188 MET C C 172.720 0.12 1 1746 . 189 VAL N N 119.805 0.15 1 1747 . 189 VAL H H 8.652 0.03 1 1748 . 189 VAL CA C 59.138 0.12 1 1749 . 189 VAL HA H 4.650 0.03 1 1750 . 189 VAL CB C 33.649 0.12 1 1751 . 189 VAL HB H 0.540 0.03 1 1752 . 189 VAL CG2 C 21.210 0.12 1 1753 . 189 VAL HG2 H -0.330 0.03 1 1754 . 189 VAL CG1 C 19.440 0.12 1 1755 . 189 VAL HG1 H 0.520 0.03 1 1756 . 190 ALA N N 128.633 0.15 1 1757 . 190 ALA H H 8.382 0.03 1 1758 . 190 ALA CA C 49.177 0.12 1 1759 . 190 ALA HA H 5.640 0.03 1 1760 . 190 ALA CB C 23.490 0.12 1 1761 . 190 ALA HB H 1.320 0.03 1 1762 . 190 ALA C C 176.030 0.12 1 1763 . 191 TYR N N 116.298 0.15 1 1764 . 191 TYR H H 8.387 0.03 1 1765 . 191 TYR CA C 54.923 0.12 1 1766 . 191 TYR HA H 5.220 0.03 1 1767 . 191 TYR CB C 40.826 0.12 1 1768 . 191 TYR HD1 H 6.780 0.03 1 1769 . 191 TYR HE1 H 6.620 0.03 1 1770 . 191 TYR HE2 H 6.620 0.03 1 1771 . 191 TYR HD2 H 6.780 0.03 1 1772 . 191 TYR C C 173.700 0.12 1 1773 . 192 LYS N N 120.812 0.15 1 1774 . 192 LYS H H 7.865 0.03 1 1775 . 192 LYS CA C 56.326 0.12 1 1776 . 192 LYS HA H 4.290 0.03 1 1777 . 192 LYS CB C 33.111 0.12 1 1778 . 192 LYS HB2 H 2.000 0.03 2 1779 . 192 LYS HB3 H 1.870 0.03 2 1780 . 192 LYS HG2 H 1.200 0.03 2 1781 . 192 LYS C C 176.650 0.12 1 1782 . 193 ILE N N 126.113 0.15 1 1783 . 193 ILE H H 8.108 0.03 1 1784 . 193 ILE CA C 59.334 0.12 1 1785 . 193 ILE HA H 4.420 0.03 1 1786 . 193 ILE CB C 38.342 0.12 1 1787 . 193 ILE HB H 1.750 0.03 1 1788 . 193 ILE CG1 C 27.900 0.12 1 1789 . 193 ILE HG12 H 1.390 0.03 2 1790 . 193 ILE HG13 H 0.770 0.03 2 1791 . 193 ILE CD1 C 13.770 0.12 1 1792 . 193 ILE HD1 H 0.770 0.03 1 1793 . 193 ILE CG2 C 17.910 0.12 1 1794 . 193 ILE HG2 H 0.980 0.03 1 1795 . 194 PRO CA C 63.026 0.12 1 1796 . 194 PRO HA H 4.450 0.03 1 1797 . 194 PRO CB C 31.750 0.12 1 1798 . 194 PRO HB2 H 1.970 0.03 2 1799 . 194 PRO HB3 H 2.350 0.03 2 1800 . 194 PRO CG C 27.640 0.12 1 1801 . 194 PRO HG2 H 2.170 0.03 2 1802 . 194 PRO HG3 H 2.070 0.03 2 1803 . 194 PRO CD C 51.470 0.12 1 1804 . 194 PRO HD2 H 3.810 0.03 2 1805 . 194 PRO HD3 H 4.130 0.03 2 1806 . 194 PRO C C 177.390 0.12 1 1807 . 195 VAL N N 120.322 0.15 1 1808 . 195 VAL H H 8.197 0.03 1 1809 . 195 VAL CA C 62.058 0.12 1 1810 . 195 VAL HA H 4.110 0.03 1 1811 . 195 VAL CB C 32.597 0.12 1 1812 . 195 VAL HB H 2.050 0.03 1 1813 . 195 VAL CG2 C 20.900 0.12 1 1814 . 195 VAL HG2 H 0.910 0.03 1 1815 . 195 VAL CG1 C 20.900 0.12 1 1816 . 195 VAL HG1 H 0.910 0.03 1 1817 . 195 VAL C C 176.480 0.12 1 1818 . 196 ASN N N 122.829 0.15 1 1819 . 196 ASN H H 8.467 0.03 1 1820 . 196 ASN CA C 53.277 0.12 1 1821 . 196 ASN HA H 4.810 0.03 1 1822 . 196 ASN CB C 39.474 0.12 1 1823 . 196 ASN HB2 H 2.670 0.03 2 1824 . 196 ASN HB3 H 2.840 0.03 2 1825 . 196 ASN C C 174.490 0.12 1 1826 . 197 ASP N N 126.531 0.15 1 1827 . 197 ASP H H 7.931 0.03 1 1828 . 197 ASP CA C 55.946 0.12 1 1829 . 197 ASP HA H 4.820 0.03 1 1830 . 197 ASP CB C 42.172 0.12 1 1831 . 197 ASP HB2 H 2.590 0.03 2 stop_ save_ save_chemical_shift_set_2 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_5 stop_ _Sample_conditions_label $sample_cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'Mad2-binding peptide' _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 SER HA H 4.470 0.03 1 2 . 1 SER CB C 64.200 0.12 1 3 . 1 SER HB2 H 3.810 0.03 2 4 . 1 SER HB3 H 3.910 0.03 2 5 . 2 TRP N N 121.050 0.15 1 6 . 2 TRP H H 8.290 0.03 1 7 . 2 TRP CA C 56.840 0.12 1 8 . 2 TRP HA H 5.530 0.03 1 9 . 2 TRP HB2 H 3.610 0.03 2 10 . 2 TRP HB3 H 3.010 0.03 2 11 . 2 TRP CD1 C 126.500 0.12 1 12 . 2 TRP HD1 H 7.430 0.03 1 13 . 2 TRP NE1 N 130.890 0.15 1 14 . 2 TRP HE1 H 10.210 0.03 1 15 . 2 TRP CZ2 C 114.560 0.12 1 16 . 2 TRP HZ2 H 7.170 0.03 1 17 . 2 TRP CH2 C 121.320 0.12 1 18 . 2 TRP HH2 H 7.530 0.03 1 19 . 2 TRP CZ3 C 118.590 0.12 1 20 . 2 TRP HZ3 H 6.710 0.03 1 21 . 2 TRP CE3 C 124.680 0.12 1 22 . 2 TRP HE3 H 6.980 0.03 1 23 . 3 TYR N N 119.130 0.15 1 24 . 3 TYR H H 9.380 0.03 1 25 . 3 TYR CA C 57.120 0.12 1 26 . 3 TYR HA H 5.570 0.03 1 27 . 3 TYR HB2 H 3.360 0.03 2 28 . 3 TYR HB3 H 2.790 0.03 2 29 . 3 TYR CD1 C 133.310 0.12 1 30 . 3 TYR HD1 H 6.730 0.03 1 31 . 3 TYR CE1 C 118.350 0.12 1 32 . 3 TYR HE1 H 6.620 0.03 1 33 . 3 TYR CE2 C 118.350 0.12 1 34 . 3 TYR HE2 H 6.620 0.03 1 35 . 3 TYR CD2 C 133.310 0.12 1 36 . 3 TYR HD2 H 6.730 0.03 1 37 . 4 SER N N 116.760 0.15 1 38 . 4 SER H H 9.930 0.03 1 39 . 4 SER CA C 56.140 0.12 1 40 . 4 SER HA H 6.090 0.03 1 41 . 4 SER CB C 66.380 0.12 1 42 . 4 SER HB2 H 4.130 0.03 2 43 . 4 SER HB3 H 3.670 0.03 2 44 . 5 TYR N N 126.920 0.15 1 45 . 5 TYR H H 7.960 0.03 1 46 . 5 TYR CA C 52.440 0.12 1 47 . 5 TYR HA H 5.110 0.03 1 48 . 5 TYR CD1 C 132.590 0.12 1 49 . 5 TYR HD1 H 6.180 0.03 1 50 . 5 TYR CE1 C 117.750 0.12 1 51 . 5 TYR HE1 H 6.480 0.03 1 52 . 5 TYR CE2 C 117.750 0.12 1 53 . 5 TYR HE2 H 6.480 0.03 1 54 . 5 TYR CD2 C 132.590 0.12 1 55 . 5 TYR HD2 H 6.180 0.03 1 56 . 6 PRO HD2 H 3.650 0.03 2 57 . 8 PRO HA H 4.390 0.03 1 58 . 8 PRO HB2 H 2.370 0.03 2 59 . 8 PRO HB3 H 1.970 0.03 2 60 . 8 PRO HD2 H 3.060 0.03 2 61 . 9 GLN N N 121.720 0.15 1 62 . 9 GLN H H 8.400 0.03 1 63 . 9 GLN CA C 62.630 0.12 1 64 . 9 GLN HA H 4.270 0.03 1 65 . 9 GLN HB2 H 1.790 0.03 2 66 . 9 GLN HG2 H 2.250 0.03 2 67 . 9 GLN HG3 H 2.000 0.03 2 68 . 10 ARG N N 124.240 0.15 1 69 . 10 ARG H H 8.450 0.03 1 70 . 10 ARG HD2 H 3.050 0.03 2 stop_ save_