data_7138 #Corrected using PDB structure: 1QFJC # #N.B. (Observed* = Observed shift + Offset correction) # #After reference correction, the following residues still #have a CA chemical shift difference (obs*-pred) greater than 5.0ppm: #NUM AA CS Observed* Predicted # 50 M CA 61.00 55.74 # #After reference correction, the following residues still #have a CB chemical shift difference (obs*-pred) greater than 5.0ppm: #NUM AA CS Observed* Predicted #223 R CB 26.57 31.69 # #After reference correction, the following residues still #have a CO chemical shift difference (obs*-pred) greater than 5.0ppm: #NUM AA CS Observed* Predicted #119 S C 170.01 176.28 # #The average CS difference between predicted and observed: #HA CA CB CO N HN #N/A 0.49 0.54 0.11 -0.10 0.17 # #bmr7138.str.corr chemical shifts have been re-referenced with the following #offsets (these values have been added to the original bmr7138.str file): #HA CA CB CO N HN #N/A +0.52 +0.52 +0.11 -0.10 N/A # #The 95% confidence intervals for the above recommended offsets are: # HA CA CB CO N HN # N/A +/-0.12 +/-0.11 +/-0.11 +/-0.26 +/-0.05 # #The Correlation Coefficients between predicted and observed #chemical shifts are: #HA CA CB CO N HN #N/A 0.962 0.995 0.814 0.867 0.720 # #The RMSD between predicted and observed* (reference #corrected) chemical shifts are: #HA CA CB CO N HN #N/A 0.899 0.782 0.788 1.802 0.366 # ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR study of dynamics in the FRE-FAD complex. ; loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Vallurupalli Pramodh . . 2 Kay Lewis E. . stop_ _BMRB_accession_number 7138 _BMRB_flat_file_name bmr7138.str _Entry_type new _Submission_date 2006-06-02 _Accession_date 2006-06-02 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "13C chemical shifts" 658 "1H chemical shifts" 253 "15N chemical shifts" 202 stop_ _Release_immediately no _Release_on_publication yes save_ save_contact_persons _Saveframe_category contact_persons loop_ _Family_name _Given_name _Middle_initials _Family_title _Department_and_Institution _Mailing_address _Phone_number _Email_address _FAX_number Kay Lewis E ? ; Department of Medical Genetics & Microbiology University of Toronto ; ; Department of Medical Genetics & Microbiology Medical Sciences Building, Room 1233 1 King's College Circle Toronto M5S 1A8 Canada ; "(416) 978-0642" kay@pound.med.utoronto.ca ? Vallurupalli Pramodh ? ? ; Department of Medical Genetics & Microbiology University of Toronto ; ; Department of Medical Genetics & Microbiology Medical Sciences Building, Room 1233 1 King's College Circle Toronto M5S 1A8 Canada ; 416-978-0642 pramodh@pound.med.utoronto.ca ? stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_title ; Complimentarity between ensemble averaged and single molecule measures of protein dynamics: A relaxation dispersion study ; _Citation_status submitted _Citation_type journal _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Vallurupalli Pramodh . . 2 Kay Lewis . . stop_ _Journal_abbreviation "Proc. Natl. Acad. Sci. U.S.A." _Journal_volume ? _Journal_issue ? _Page_first ? _Page_last ? _Year ? save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name "FRE-FAD complex" _Abbreviation_common "FRE-FAD complex" loop_ _Mol_system_component_name _Mol_label FRE $FRE "FLAVIN-ADENINE DINUCLEOTIDE" $FAD stop_ _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state "all free" _Details ; Complex between E. coli general NAD(P)H:flavin oxidoreductase (FRE) and flavin adenine dinucleotide (FAD) ; save_ ######################## # Monomeric polymers # ######################## save_FRE _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common FRE _Mol_thiol_state "all free" loop_ _Synonym "NAD(P)H:flavin oxidoreductase." stop_ ############################## # Polymer residue sequence # ############################## _Residue_count 232 _Mol_residue_sequence ; TTLSCKVTSVEAITDTVYRV RIVPDAAFSFRAGQYLMVVM DERDKRPFSMASTPDEKGFI ELHIGASEINLYAKAVMDRI LKDHQIVVDIPHGEAWLRDD EERPMILIAGGTGFSYARSI LLTALARNPNRDITIYWGGR EEQHLYDLCELEALSLKHPG LQVVPVVEQPEAGWRGRTGT VLTAVLQDHGTLAEHDIYIA GRFEMAKIARDLFCSERNAR EDRLFGDAFAFI ; loop_ _Residue_seq_code _Residue_label 1 THR 2 THR 3 LEU 4 SER 5 CYS 6 LYS 7 VAL 8 THR 9 SER 10 VAL 11 GLU 12 ALA 13 ILE 14 THR 15 ASP 16 THR 17 VAL 18 TYR 19 ARG 20 VAL 21 ARG 22 ILE 23 VAL 24 PRO 25 ASP 26 ALA 27 ALA 28 PHE 29 SER 30 PHE 31 ARG 32 ALA 33 GLY 34 GLN 35 TYR 36 LEU 37 MET 38 VAL 39 VAL 40 MET 41 ASP 42 GLU 43 ARG 44 ASP 45 LYS 46 ARG 47 PRO 48 PHE 49 SER 50 MET 51 ALA 52 SER 53 THR 54 PRO 55 ASP 56 GLU 57 LYS 58 GLY 59 PHE 60 ILE 61 GLU 62 LEU 63 HIS 64 ILE 65 GLY 66 ALA 67 SER 68 GLU 69 ILE 70 ASN 71 LEU 72 TYR 73 ALA 74 LYS 75 ALA 76 VAL 77 MET 78 ASP 79 ARG 80 ILE 81 LEU 82 LYS 83 ASP 84 HIS 85 GLN 86 ILE 87 VAL 88 VAL 89 ASP 90 ILE 91 PRO 92 HIS 93 GLY 94 GLU 95 ALA 96 TRP 97 LEU 98 ARG 99 ASP 100 ASP 101 GLU 102 GLU 103 ARG 104 PRO 105 MET 106 ILE 107 LEU 108 ILE 109 ALA 110 GLY 111 GLY 112 THR 113 GLY 114 PHE 115 SER 116 TYR 117 ALA 118 ARG 119 SER 120 ILE 121 LEU 122 LEU 123 THR 124 ALA 125 LEU 126 ALA 127 ARG 128 ASN 129 PRO 130 ASN 131 ARG 132 ASP 133 ILE 134 THR 135 ILE 136 TYR 137 TRP 138 GLY 139 GLY 140 ARG 141 GLU 142 GLU 143 GLN 144 HIS 145 LEU 146 TYR 147 ASP 148 LEU 149 CYS 150 GLU 151 LEU 152 GLU 153 ALA 154 LEU 155 SER 156 LEU 157 LYS 158 HIS 159 PRO 160 GLY 161 LEU 162 GLN 163 VAL 164 VAL 165 PRO 166 VAL 167 VAL 168 GLU 169 GLN 170 PRO 171 GLU 172 ALA 173 GLY 174 TRP 175 ARG 176 GLY 177 ARG 178 THR 179 GLY 180 THR 181 VAL 182 LEU 183 THR 184 ALA 185 VAL 186 LEU 187 GLN 188 ASP 189 HIS 190 GLY 191 THR 192 LEU 193 ALA 194 GLU 195 HIS 196 ASP 197 ILE 198 TYR 199 ILE 200 ALA 201 GLY 202 ARG 203 PHE 204 GLU 205 MET 206 ALA 207 LYS 208 ILE 209 ALA 210 ARG 211 ASP 212 LEU 213 PHE 214 CYS 215 SER 216 GLU 217 ARG 218 ASN 219 ALA 220 ARG 221 GLU 222 ASP 223 ARG 224 LEU 225 PHE 226 GLY 227 ASP 228 ALA 229 PHE 230 ALA 231 PHE 232 ILE stop_ _Sequence_homology_query_date 2006-10-26 _Sequence_homology_query_revised_last_date 2006-10-05 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 1QFJ "A Chain A, Crystal Structure Of Nad(P)h:flavinOxidoreductase From Escherichia Coli" 100.00 232 100 100 10e-131 DBJ BAB38195.1 "ferrisiderophore reductase [Escherichiacoli O157:H7 str. Sakai]" 99.57 233 100 100 10e-131 DBJ BAE77459.1 "flavin reductase [Escherichia coliW3110]" 99.57 233 100 100 10e-131 EMBL CAE82160.1 "flavin oxidoreductase [Shewanelladecolorationis]" 114.29 203 99 100 10e-84 GenBank AAA23753.1 "activator protein" 99.57 233 100 100 10e-131 GenBank AAA23806.1 "flavin oxidoreductase" 99.57 233 100 100 10e-131 GenBank AAG59038.1 "AE005615_6 ferrisiderophore reductase;flavin reductase (NADPH:flavin oxidoreductase)[Escherichia coli O157:H7 EDL933]" 99.57 233 100 100 10e-131 GenBank AAN83224.1 "AE016770_24 NAD(P)H-flavin reductase[Escherichia coli CFT073]" 95.08 244 100 100 10e-131 GenBank ABE09846.1 "NAD(P)H-flavin reductase [Escherichiacoli UTI89]" 95.08 244 100 100 10e-131 REF NP_290474.1 "NAD(P)H-flavin reductase [Escherichiacoli O157:H7 EDL933]" 99.57 233 100 100 10e-131 REF NP_312799.1 "NAD(P)H-flavin reductase [Escherichiacoli O157:H7 str. Sakai]" 99.57 233 100 100 10e-131 REF NP_418286.1 "NAD(P)H-flavin reductase [Escherichiacoli K12]" 99.57 233 100 100 10e-131 REF NP_756650.1 "NAD(P)H-flavin reductase [Escherichiacoli CFT073]" 95.08 244 100 100 10e-131 REF YP_543377.1 "NAD(P)H-flavin reductase [Escherichiacoli UTI89]" 95.08 244 100 100 10e-131 SWISS-PROT P0AEN1 "FRE_ECOLI NAD(P)H-flavin reductase (FMNreductase) (Aquacobalamin reductase) (NAD(P)H:flavinoxidoreductase) (Ferrisiderophore reductase C)" 99.57 233 100 100 10e-131 SWISS-PROT P0AEN2 "FRE_ECOL6 NAD(P)H-flavin reductase (FMNreductase) (Aquacobalamin reductase) (NAD(P)H:flavinoxidoreductase) (Ferrisiderophore reductase C)" 99.57 233 100 100 10e-131 SWISS-PROT P0AEN3 "FRE_ECO57 NAD(P)H-flavin reductase (FMNreductase) (Aquacobalamin reductase) (NAD(P)H:flavinoxidoreductase) (Ferrisiderophore reductase C)" 99.57 233 100 100 10e-131 stop_ save_ ############# # Ligands # ############# save_FAD _Saveframe_category ligand _Mol_type complete _Name_common "FLAVIN-ADENINE DINUCLEOTIDE" _Abbreviation_common "FLAVIN-ADENINE DINUCLEOTIDE" _PDB_code FAD _Mol_empirical_formula "C27 H33 N9 O15 P2" _Mol_paramagnetic ? _Details . loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons AP AP P ? 0 ? ? AO1 AO1 O ? 0 ? ? AO2 AO2 O ? 0 ? ? AO5* AO5* O ? 0 ? ? AC5* AC5* C ? 0 ? ? AC4* AC4* C ? 0 ? ? AO4* AO4* O ? 0 ? ? AC3* AC3* C ? 0 ? ? AO3* AO3* O ? 0 ? ? AC2* AC2* C ? 0 ? ? AO2* AO2* O ? 0 ? ? AC1* AC1* C ? 0 ? ? AN9 AN9 N ? 0 ? ? AC8 AC8 C ? 0 ? ? AN7 AN7 N ? 0 ? ? AC5 AC5 C ? 0 ? ? AC6 AC6 C ? 0 ? ? AN6 AN6 N ? 0 ? ? AN1 AN1 N ? 0 ? ? AC2 AC2 C ? 0 ? ? AN3 AN3 N ? 0 ? ? AC4 AC4 C ? 0 ? ? N1 N1 N ? 0 ? ? C2 C2 C ? 0 ? ? O2 O2 O ? 0 ? ? N3 N3 N ? 0 ? ? C4 C4 C ? 0 ? ? O4 O4 O ? 0 ? ? C4A C4A C ? 0 ? ? N5 N5 N ? 0 ? ? C5A C5A C ? 0 ? ? C6 C6 C ? 0 ? ? C7 C7 C ? 0 ? ? C7M C7M C ? 0 ? ? C8 C8 C ? 0 ? ? C8M C8M C ? 0 ? ? C9 C9 C ? 0 ? ? C9A C9A C ? 0 ? ? N10 N10 N ? 0 ? ? C10 C10 C ? 0 ? ? C1* C1* C ? 0 ? ? C2* C2* C ? 0 ? ? O2* O2* O ? 0 ? ? C3* C3* C ? 0 ? ? O3* O3* O ? 0 ? ? C4* C4* C ? 0 ? ? O4* O4* O ? 0 ? ? C5* C5* C ? 0 ? ? O5* O5* O ? 0 ? ? P P P ? 0 ? ? O1P O1P O ? 0 ? ? O2P O2P O ? 0 ? ? O3P O3P O ? 0 ? ? 2HOA 2HOA H ? 0 ? ? AH51 AH51 H ? 0 ? ? AH52 AH52 H ? 0 ? ? AH4* AH4* H ? 0 ? ? AH3* AH3* H ? 0 ? ? AHO3 AHO3 H ? 0 ? ? AH2* AH2* H ? 0 ? ? AHO2 AHO2 H ? 0 ? ? AH1* AH1* H ? 0 ? ? AH8 AH8 H ? 0 ? ? AH61 AH61 H ? 0 ? ? AH62 AH62 H ? 0 ? ? AH2 AH2 H ? 0 ? ? HN3 HN3 H ? 0 ? ? H6 H6 H ? 0 ? ? 1HM7 1HM7 H ? 0 ? ? 2HM7 2HM7 H ? 0 ? ? 3HM7 3HM7 H ? 0 ? ? 1HM8 1HM8 H ? 0 ? ? 2HM8 2HM8 H ? 0 ? ? 3HM8 3HM8 H ? 0 ? ? H9 H9 H ? 0 ? ? 1H1* 1H1* H ? 0 ? ? 2H1* 2H1* H ? 0 ? ? H2* H2* H ? 0 ? ? *HO2 *HO2 H ? 0 ? ? H3* H3* H ? 0 ? ? *HO3 *HO3 H ? 0 ? ? H4* H4* H ? 0 ? ? *HO4 *HO4 H ? 0 ? ? 1H5* 1H5* H ? 0 ? ? 2H5* 2H5* H ? 0 ? ? 2HOP 2HOP H ? 0 ? ? stop_ loop_ _Bond_order _Bond_atom_one_atom_name _Bond_atom_two_atom_name _PDB_bond_atom_one_atom_name _PDB_bond_atom_two_atom_name DOUB AP AO1 ? ? SING AP AO2 ? ? SING AP AO5* ? ? SING AP O3P ? ? SING AO2 2HOA ? ? SING AO5* AC5* ? ? SING AC5* AC4* ? ? SING AC5* AH51 ? ? SING AC5* AH52 ? ? SING AC4* AO4* ? ? SING AC4* AC3* ? ? SING AC4* AH4* ? ? SING AO4* AC1* ? ? SING AC3* AO3* ? ? SING AC3* AC2* ? ? SING AC3* AH3* ? ? SING AO3* AHO3 ? ? SING AC2* AO2* ? ? SING AC2* AC1* ? ? SING AC2* AH2* ? ? SING AO2* AHO2 ? ? SING AC1* AN9 ? ? SING AC1* AH1* ? ? SING AN9 AC8 ? ? SING AN9 AC4 ? ? DOUB AC8 AN7 ? ? SING AC8 AH8 ? ? SING AN7 AC5 ? ? SING AC5 AC6 ? ? DOUB AC5 AC4 ? ? SING AC6 AN6 ? ? DOUB AC6 AN1 ? ? SING AN6 AH61 ? ? SING AN6 AH62 ? ? SING AN1 AC2 ? ? DOUB AC2 AN3 ? ? SING AC2 AH2 ? ? SING AN3 AC4 ? ? SING N1 C2 ? ? DOUB N1 C10 ? ? DOUB C2 O2 ? ? SING C2 N3 ? ? SING N3 C4 ? ? SING N3 HN3 ? ? DOUB C4 O4 ? ? SING C4 C4A ? ? DOUB C4A N5 ? ? SING C4A C10 ? ? SING N5 C5A ? ? DOUB C5A C6 ? ? SING C5A C9A ? ? SING C6 C7 ? ? SING C6 H6 ? ? SING C7 C7M ? ? DOUB C7 C8 ? ? SING C7M 1HM7 ? ? SING C7M 2HM7 ? ? SING C7M 3HM7 ? ? SING C8 C8M ? ? SING C8 C9 ? ? SING C8M 1HM8 ? ? SING C8M 2HM8 ? ? SING C8M 3HM8 ? ? DOUB C9 C9A ? ? SING C9 H9 ? ? SING C9A N10 ? ? SING N10 C10 ? ? SING N10 C1* ? ? SING C1* C2* ? ? SING C1* 1H1* ? ? SING C1* 2H1* ? ? SING C2* O2* ? ? SING C2* C3* ? ? SING C2* H2* ? ? SING O2* *HO2 ? ? SING C3* O3* ? ? SING C3* C4* ? ? SING C3* H3* ? ? SING O3* *HO3 ? ? SING C4* O4* ? ? SING C4* C5* ? ? SING C4* H4* ? ? SING O4* *HO4 ? ? SING C5* O5* ? ? SING C5* 1H5* ? ? SING C5* 2H5* ? ? SING O5* P ? ? DOUB P O1P ? ? SING P O2P ? ? SING P O3P ? ? SING O2P 2HOP ? ? stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $FRE "E coli" 562 Eubacteria . Escherichia coli 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 $FRE "recombinant technology" "E coil" ? ? ? ? stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $FRE 1.5 mM "[U-13C; U-15N; U-70% 2H]" $FAD 5 mM ? "Potassium Phosphate" 20 mM ? DTT 5 mM ? EDTA 0.1 mM ? stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_600MHz_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model Inova _Field_strength 600 _Details "Varian Inova with a coldprobe" save_ ############################# # NMR applied experiments # ############################# save_NMR_experiment_list _Saveframe_category NMR_applied_experiment _Experiment_name ; 1H 15NTROSY HNCA HNCOCA HNCACB HNCOCACB HNCO HNCACO (H)C(CA)NH-TOCSY H(CCA)NH-TOCSy 15N NOESY-TROSY ; save_ save_1H_15NTROSY _Saveframe_category NMR_applied_experiment _Experiment_name "1H 15NTROSY" _Sample_label $sample_1 save_ save_HNCA _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _Sample_label $sample_1 save_ save_HNCOCA _Saveframe_category NMR_applied_experiment _Experiment_name HNCOCA _Sample_label $sample_1 save_ save_HNCACB _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _Sample_label $sample_1 save_ save_HNCOCACB _Saveframe_category NMR_applied_experiment _Experiment_name HNCOCACB _Sample_label $sample_1 save_ save_HNCO _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _Sample_label $sample_1 save_ save_HNCACO _Saveframe_category NMR_applied_experiment _Experiment_name HNCACO _Sample_label $sample_1 save_ save_(H)C(CA)NH-TOCSY _Saveframe_category NMR_applied_experiment _Experiment_name (H)C(CA)NH-TOCSY _Sample_label $sample_1 save_ save_H(CCA)NH-TOCSy _Saveframe_category NMR_applied_experiment _Experiment_name H(CCA)NH-TOCSy _Sample_label $sample_1 save_ save_15N_NOESY-TROSY _Saveframe_category NMR_applied_experiment _Experiment_name "15N NOESY-TROSY" _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_conditions_1 _Saveframe_category sample_conditions loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 7.4 0.1 pH temperature 300 0.5 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _Saveframe_category chemical_shift_reference 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 H2O H 1 protons ppm 4.754 direct internal ? ? ? 1.0 acetate C 13 "methyl carbon" ppm 26.2 direct external cylindrical "outside sample" parallel 1.0 urea N 15 "amide nitroge" ppm 76 direct external cylindrical "outside sample" parallel 1.0 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # Index Value Definition # # # # 1 Unique (geminal atoms and geminal methyl # # groups with identical chemical shifts # # are assumed to be assigned to # # stereospecific atoms) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups # # 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) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details "The 15N, 1H shifts in this file are for the TROSY component." loop_ _Experiment_label $1H_15NTROSY $HNCA $HNCOCA $HNCACB $HNCOCACB $HNCO $HNCACO $(H)C(CA)NH-TOCSY $H(CCA)NH-TOCSy $15N_NOESY-TROSY stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $conditions_1 _Chem_shift_reference_set_label $chemical_shift_referencing _Mol_system_component_name FRE loop_ _Atom_shift_assign_ID _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 THR C C 170.82 0.15 . 2 2 THR H H 8.77 0.03 . 3 2 THR C C 173.83 0.15 . 4 2 THR CA C 62.17 0.15 . 5 2 THR CB C 69.59 0.15 . 6 2 THR N N 124.51 0.15 . 7 3 LEU H H 9.22 0.03 . 8 3 LEU HD1 H 0.71 0.03 . 9 3 LEU HD2 H 0.87 0.03 . 10 3 LEU C C 175.63 0.15 . 11 3 LEU CA C 53.70 0.15 . 12 3 LEU CB C 45.72 0.15 . 13 3 LEU CD1 C 26.89 0.15 . 14 3 LEU CD2 C 25.23 0.15 . 15 3 LEU N N 126.73 0.15 . 16 4 SER H H 8.48 0.03 . 17 4 SER C C 174.66 0.15 . 18 4 SER CA C 58.55 0.15 . 19 4 SER CB C 63.60 0.15 . 20 4 SER N N 119.30 0.15 . 21 5 CYS H H 8.84 0.03 . 22 5 CYS C C 173.78 0.15 . 23 5 CYS CA C 56.64 0.15 . 24 5 CYS CB C 31.72 0.15 . 25 5 CYS N N 121.35 0.15 . 26 6 LYS H H 7.73 0.03 . 27 6 LYS C C 176.47 0.15 . 28 6 LYS CA C 55.54 0.15 . 29 6 LYS CB C 33.74 0.15 . 30 6 LYS N N 124.17 0.15 . 31 7 VAL H H 7.99 0.03 . 32 7 VAL HG1 H 0.58 0.03 . 33 7 VAL C C 176.12 0.15 . 34 7 VAL CA C 62.17 0.15 . 35 7 VAL CB C 31.42 0.15 . 36 7 VAL CG1 C 20.24 0.15 . 37 7 VAL N N 125.63 0.15 . 38 8 THR H H 8.56 0.03 . 39 8 THR C C 175.41 0.15 . 40 8 THR CA C 62.56 0.15 . 41 8 THR CB C 68.86 0.15 . 42 8 THR N N 121.21 0.15 . 43 9 SER H H 7.28 0.03 . 44 9 SER C C 172.51 0.15 . 45 9 SER CA C 58.77 0.15 . 46 9 SER CB C 64.79 0.15 . 47 9 SER N N 114.48 0.15 . 48 10 VAL H H 8.18 0.03 . 49 10 VAL HG1 H 0.68 0.03 . 50 10 VAL HG2 H 0.71 0.03 . 51 10 VAL C C 174.54 0.15 . 52 10 VAL CA C 62.10 0.15 . 53 10 VAL CB C 34.16 0.15 . 54 10 VAL CG1 C 22.48 0.15 . 55 10 VAL CG2 C 22.04 0.15 . 56 10 VAL N N 123.59 0.15 . 57 11 GLU H H 8.74 0.03 . 58 11 GLU C C 174.66 0.15 . 59 11 GLU CA C 54.24 0.15 . 60 11 GLU CB C 33.88 0.15 . 61 11 GLU N N 126.38 0.15 . 62 12 ALA H H 8.84 0.03 . 63 12 ALA C C 177.19 0.15 . 64 12 ALA CA C 52.48 0.15 . 65 12 ALA CB C 17.38 0.15 . 66 12 ALA N N 129.22 0.15 . 67 13 ILE H H 8.74 0.03 . 68 13 ILE HD1 H 0.23 0.03 . 69 13 ILE C C 177.65 0.15 . 70 13 ILE CA C 64.49 0.15 . 71 13 ILE CB C 38.62 0.15 . 72 13 ILE CD1 C 12.78 0.15 . 73 13 ILE N N 127.67 0.15 . 74 14 THR H H 7.45 0.03 . 75 14 THR C C 173.52 0.15 . 76 14 THR CA C 59.07 0.15 . 77 14 THR CB C 71.56 0.15 . 78 14 THR N N 109.42 0.15 . 79 15 ASP H H 8.40 0.03 . 80 15 ASP C C 176.87 0.15 . 81 15 ASP CA C 56.44 0.15 . 82 15 ASP CB C 40.28 0.15 . 83 15 ASP N N 115.58 0.15 . 84 16 THR H H 7.61 0.03 . 85 16 THR C C 173.02 0.15 . 86 16 THR CA C 61.68 0.15 . 87 16 THR CB C 70.75 0.15 . 88 16 THR N N 106.04 0.15 . 89 17 VAL H H 6.91 0.03 . 90 17 VAL HG1 H -0.07 0.03 . 91 17 VAL C C 174.31 0.15 . 92 17 VAL CA C 62.28 0.15 . 93 17 VAL CB C 33.10 0.15 . 94 17 VAL CG1 C 20.35 0.15 . 95 17 VAL N N 122.27 0.15 . 96 18 TYR H H 8.73 0.03 . 97 18 TYR C C 174.42 0.15 . 98 18 TYR CA C 56.83 0.15 . 99 18 TYR CB C 41.47 0.15 . 100 18 TYR N N 125.58 0.15 . 101 19 ARG H H 9.44 0.03 . 102 19 ARG C C 175.92 0.15 . 103 19 ARG CA C 55.33 0.15 . 104 19 ARG CB C 31.28 0.15 . 105 19 ARG N N 123.90 0.15 . 106 20 VAL H H 9.67 0.03 . 107 20 VAL C C 174.35 0.15 . 108 20 VAL CA C 60.89 0.15 . 109 20 VAL CB C 35.18 0.15 . 110 20 VAL N N 131.65 0.15 . 111 21 ARG H H 8.56 0.03 . 112 21 ARG C C 175.35 0.15 . 113 21 ARG CA C 55.42 0.15 . 114 21 ARG CB C 31.68 0.15 . 115 21 ARG N N 126.12 0.15 . 116 22 ILE H H 8.88 0.03 . 117 22 ILE C C 174.40 0.15 . 118 22 ILE CA C 58.04 0.15 . 119 22 ILE CB C 40.86 0.15 . 120 22 ILE N N 115.82 0.15 . 121 23 VAL H H 9.15 0.03 . 122 23 VAL CA C 59.59 0.15 . 123 23 VAL CB C 34.20 0.15 . 124 23 VAL N N 122.03 0.15 . 125 24 PRO C C 176.18 0.15 . 126 24 PRO CA C 62.35 0.15 . 127 24 PRO CB C 33.37 0.15 . 128 25 ASP H H 8.53 0.03 . 129 25 ASP C C 174.97 0.15 . 130 25 ASP CA C 54.77 0.15 . 131 25 ASP CB C 40.47 0.15 . 132 25 ASP N N 121.08 0.15 . 133 26 ALA H H 7.20 0.03 . 134 26 ALA C C 175.49 0.15 . 135 26 ALA CA C 50.70 0.15 . 136 26 ALA CB C 21.91 0.15 . 137 26 ALA N N 120.32 0.15 . 138 27 ALA H H 7.79 0.03 . 139 27 ALA C C 176.20 0.15 . 140 27 ALA CA C 53.12 0.15 . 141 27 ALA CB C 19.18 0.15 . 142 27 ALA N N 120.17 0.15 . 143 28 PHE H H 7.50 0.03 . 144 28 PHE C C 173.52 0.15 . 145 28 PHE CA C 55.20 0.15 . 146 28 PHE CB C 42.44 0.15 . 147 28 PHE N N 114.76 0.15 . 148 29 SER H H 8.22 0.03 . 149 29 SER C C 172.38 0.15 . 150 29 SER CA C 57.56 0.15 . 151 29 SER CB C 65.50 0.15 . 152 29 SER N N 114.05 0.15 . 153 30 PHE H H 7.61 0.03 . 154 30 PHE C C 172.05 0.15 . 155 30 PHE CA C 56.47 0.15 . 156 30 PHE CB C 42.01 0.15 . 157 30 PHE N N 115.89 0.15 . 158 31 ARG H H 8.76 0.03 . 159 31 ARG C C 175.89 0.15 . 160 31 ARG CA C 54.13 0.15 . 161 31 ARG CB C 32.48 0.15 . 162 31 ARG N N 118.49 0.15 . 163 32 ALA H H 9.04 0.03 . 164 32 ALA C C 176.89 0.15 . 165 32 ALA CA C 54.10 0.15 . 166 32 ALA CB C 18.83 0.15 . 167 32 ALA N N 127.69 0.15 . 168 33 GLY H H 8.75 0.03 . 169 33 GLY C C 177.85 0.15 . 170 33 GLY CA C 45.68 0.15 . 171 33 GLY N N 111.87 0.15 . 172 34 GLN H H 8.56 0.03 . 173 34 GLN C C 174.72 0.15 . 174 34 GLN CA C 58.53 0.15 . 175 34 GLN CB C 31.90 0.15 . 176 34 GLN N N 120.69 0.15 . 177 35 TYR H H 9.39 0.03 . 178 35 TYR C C 173.51 0.15 . 179 35 TYR CA C 56.06 0.15 . 180 35 TYR CB C 40.01 0.15 . 181 35 TYR N N 116.45 0.15 . 182 36 LEU H H 9.01 0.03 . 183 36 LEU HD1 H 0.66 0.03 . 184 36 LEU C C 176.12 0.15 . 185 36 LEU CA C 52.17 0.15 . 186 36 LEU CB C 44.71 0.15 . 187 36 LEU CD1 C 27.82 0.15 . 188 36 LEU N N 117.49 0.15 . 189 37 MET H H 8.97 0.03 . 190 37 MET C C 176.38 0.15 . 191 37 MET CA C 53.26 0.15 . 192 37 MET CB C 35.05 0.15 . 193 37 MET N N 117.01 0.15 . 194 38 VAL H H 9.59 0.03 . 195 38 VAL C C 175.93 0.15 . 196 38 VAL CA C 63.38 0.15 . 197 38 VAL CB C 31.93 0.15 . 198 38 VAL N N 126.27 0.15 . 199 39 VAL H H 8.74 0.03 . 200 39 VAL HG1 H 0.61 0.03 . 201 39 VAL C C 175.76 0.15 . 202 39 VAL CA C 63.03 0.15 . 203 39 VAL CB C 30.13 0.15 . 204 39 VAL CG1 C 21.17 0.15 . 205 39 VAL N N 131.23 0.15 . 206 40 MET H H 8.67 0.03 . 207 40 MET C C 178.08 0.15 . 208 40 MET CA C 55.82 0.15 . 209 40 MET CB C 30.58 0.15 . 210 40 MET N N 130.44 0.15 . 211 41 ASP H H 8.28 0.03 . 212 41 ASP C C 175.08 0.15 . 213 41 ASP CA C 53.61 0.15 . 214 41 ASP CB C 41.65 0.15 . 215 41 ASP N N 116.07 0.15 . 216 42 GLU H H 8.59 0.03 . 217 42 GLU C C 177.15 0.15 . 218 42 GLU CA C 59.59 0.15 . 219 42 GLU CB C 29.40 0.15 . 220 42 GLU N N 116.58 0.15 . 221 43 ARG H H 8.48 0.03 . 222 43 ARG C C 175.47 0.15 . 223 43 ARG CA C 55.49 0.15 . 224 43 ARG CB C 30.65 0.15 . 225 43 ARG N N 116.28 0.15 . 226 44 ASP H H 7.62 0.03 . 227 44 ASP C C 173.04 0.15 . 228 44 ASP CA C 53.72 0.15 . 229 44 ASP CB C 41.69 0.15 . 230 44 ASP N N 122.83 0.15 . 231 45 LYS H H 7.97 0.03 . 232 45 LYS C C 175.95 0.15 . 233 45 LYS CA C 54.62 0.15 . 234 45 LYS CB C 34.93 0.15 . 235 45 LYS N N 125.00 0.15 . 236 46 ARG H H 8.49 0.03 . 237 46 ARG CA C 53.33 0.15 . 238 46 ARG CB C 31.68 0.15 . 239 46 ARG N N 123.50 0.15 . 240 47 PRO C C 174.84 0.15 . 241 47 PRO CA C 62.45 0.15 . 242 47 PRO CB C 33.37 0.15 . 243 48 PHE H H 8.72 0.03 . 244 48 PHE CA C 58.21 0.15 . 245 48 PHE CB C 43.84 0.15 . 246 48 PHE N N 116.06 0.15 . 247 50 MET C C 174.46 0.15 . 248 50 MET CA C 61.02 0.15 . 249 50 MET CB C 30.78 0.15 . 250 51 ALA H H 8.43 0.03 . 251 51 ALA C C 177.91 0.15 . 252 51 ALA CA C 51.65 0.15 . 253 51 ALA CB C 19.00 0.15 . 254 51 ALA N N 121.57 0.15 . 255 52 SER H H 7.22 0.03 . 256 52 SER C C 174.37 0.15 . 257 52 SER CA C 55.65 0.15 . 258 52 SER CB C 64.04 0.15 . 259 52 SER N N 106.87 0.15 . 260 53 THR H H 8.03 0.03 . 261 53 THR CA C 59.04 0.15 . 262 53 THR CB C 69.06 0.15 . 263 53 THR N N 109.42 0.15 . 264 54 PRO C C 176.81 0.15 . 265 54 PRO CA C 63.72 0.15 . 266 54 PRO CB C 31.06 0.15 . 267 55 ASP H H 7.24 0.03 . 268 55 ASP C C 176.00 0.15 . 269 55 ASP CA C 55.12 0.15 . 270 55 ASP CB C 40.42 0.15 . 271 55 ASP N N 115.83 0.15 . 272 56 GLU H H 7.32 0.03 . 273 56 GLU C C 174.09 0.15 . 274 56 GLU CA C 55.67 0.15 . 275 56 GLU CB C 28.49 0.15 . 276 56 GLU N N 123.72 0.15 . 277 57 LYS H H 7.83 0.03 . 278 57 LYS C C 178.15 0.15 . 279 57 LYS CA C 55.37 0.15 . 280 57 LYS CB C 31.94 0.15 . 281 57 LYS N N 123.14 0.15 . 282 58 GLY H H 9.30 0.03 . 283 58 GLY C C 173.80 0.15 . 284 58 GLY CA C 46.13 0.15 . 285 58 GLY N N 109.22 0.15 . 286 59 PHE H H 7.05 0.03 . 287 59 PHE C C 172.11 0.15 . 288 59 PHE CA C 56.10 0.15 . 289 59 PHE CB C 39.92 0.15 . 290 59 PHE N N 112.36 0.15 . 291 60 ILE H H 8.87 0.03 . 292 60 ILE HD1 H -0.15 0.03 . 293 60 ILE C C 174.46 0.15 . 294 60 ILE CA C 60.77 0.15 . 295 60 ILE CB C 41.13 0.15 . 296 60 ILE CD1 C 13.85 0.15 . 297 60 ILE N N 116.63 0.15 . 298 61 GLU H H 8.29 0.03 . 299 61 GLU C C 173.51 0.15 . 300 61 GLU CA C 54.52 0.15 . 301 61 GLU CB C 34.37 0.15 . 302 61 GLU N N 128.93 0.15 . 303 62 LEU H H 9.42 0.03 . 304 62 LEU HD1 H 0.41 0.03 . 305 62 LEU C C 175.96 0.15 . 306 62 LEU CA C 53.18 0.15 . 307 62 LEU CB C 44.81 0.15 . 308 62 LEU CD1 C 25.13 0.15 . 309 62 LEU N N 124.82 0.15 . 310 63 HIS H H 10.54 0.03 . 311 63 HIS C C 174.82 0.15 . 312 63 HIS CA C 53.46 0.15 . 313 63 HIS CB C 32.77 0.15 . 314 63 HIS N N 124.97 0.15 . 315 64 ILE H H 9.18 0.03 . 316 64 ILE HD1 H 0.03 0.03 . 317 64 ILE C C 175.34 0.15 . 318 64 ILE CA C 61.44 0.15 . 319 64 ILE CB C 40.00 0.15 . 320 64 ILE CD1 C 12.32 0.15 . 321 64 ILE N N 124.20 0.15 . 322 65 GLY H H 9.19 0.03 . 323 65 GLY C C 172.79 0.15 . 324 65 GLY CA C 46.10 0.15 . 325 65 GLY N N 116.64 0.15 . 326 66 ALA H H 8.92 0.03 . 327 66 ALA CA C 51.59 0.15 . 328 66 ALA CB C 19.93 0.15 . 329 66 ALA N N 129.56 0.15 . 330 67 SER C C 174.50 0.15 . 331 67 SER CA C 57.78 0.15 . 332 68 GLU H H 8.71 0.03 . 333 68 GLU C C 177.36 0.15 . 334 68 GLU CA C 58.74 0.15 . 335 68 GLU CB C 29.30 0.15 . 336 68 GLU N N 118.57 0.15 . 337 69 ILE H H 7.30 0.03 . 338 69 ILE HD1 H 0.87 0.03 . 339 69 ILE C C 176.09 0.15 . 340 69 ILE CA C 61.51 0.15 . 341 69 ILE CB C 38.33 0.15 . 342 69 ILE CD1 C 13.98 0.15 . 343 69 ILE N N 111.81 0.15 . 344 70 ASN H H 7.58 0.03 . 345 70 ASN CA C 51.16 0.15 . 346 70 ASN N N 124.25 0.15 . 347 75 ALA C C 180.70 0.15 . 348 75 ALA CA C 54.87 0.15 . 349 75 ALA CB C 18.51 0.15 . 350 76 VAL H H 6.66 0.03 . 351 76 VAL HG1 H 1.03 0.03 . 352 76 VAL HG2 H 0.51 0.03 . 353 76 VAL C C 177.34 0.15 . 354 76 VAL CA C 66.04 0.15 . 355 76 VAL CB C 31.45 0.15 . 356 76 VAL CG1 C 22.39 0.15 . 357 76 VAL CG2 C 20.96 0.15 . 358 76 VAL N N 117.88 0.15 . 359 77 MET H H 7.42 0.03 . 360 77 MET C C 178.33 0.15 . 361 77 MET CA C 55.55 0.15 . 362 77 MET CB C 28.43 0.15 . 363 77 MET N N 117.86 0.15 . 364 78 ASP H H 8.40 0.03 . 365 78 ASP C C 178.68 0.15 . 366 78 ASP CA C 57.54 0.15 . 367 78 ASP CB C 40.22 0.15 . 368 78 ASP N N 118.95 0.15 . 369 79 ARG H H 7.08 0.03 . 370 79 ARG C C 178.28 0.15 . 371 79 ARG CA C 58.95 0.15 . 372 79 ARG CB C 29.13 0.15 . 373 79 ARG N N 119.54 0.15 . 374 80 ILE H H 7.84 0.03 . 375 80 ILE HD1 H 0.45 0.03 . 376 80 ILE C C 177.94 0.15 . 377 80 ILE CA C 66.53 0.15 . 378 80 ILE CB C 37.78 0.15 . 379 80 ILE CD1 C 14.38 0.15 . 380 80 ILE N N 120.51 0.15 . 381 81 LEU H H 8.24 0.03 . 382 81 LEU HD1 H 0.58 0.03 . 383 81 LEU C C 177.95 0.15 . 384 81 LEU CA C 56.96 0.15 . 385 81 LEU CB C 41.55 0.15 . 386 81 LEU CD1 C 25.22 0.15 . 387 81 LEU N N 117.72 0.15 . 388 82 LYS H H 7.55 0.03 . 389 82 LYS C C 177.82 0.15 . 390 82 LYS CA C 58.32 0.15 . 391 82 LYS CB C 33.07 0.15 . 392 82 LYS N N 117.92 0.15 . 393 83 ASP H H 8.05 0.03 . 394 83 ASP C C 177.27 0.15 . 395 83 ASP CA C 55.38 0.15 . 396 83 ASP CB C 41.81 0.15 . 397 83 ASP N N 115.96 0.15 . 398 84 HIS H H 7.78 0.03 . 399 84 HIS C C 173.55 0.15 . 400 84 HIS CA C 58.16 0.15 . 401 84 HIS CB C 27.33 0.15 . 402 84 HIS N N 112.97 0.15 . 403 85 GLN H H 7.10 0.03 . 404 85 GLN C C 173.82 0.15 . 405 85 GLN CA C 55.32 0.15 . 406 85 GLN CB C 31.26 0.15 . 407 85 GLN N N 116.65 0.15 . 408 86 ILE H H 8.43 0.03 . 409 86 ILE C C 172.53 0.15 . 410 86 ILE CA C 59.58 0.15 . 411 86 ILE CB C 43.17 0.15 . 412 86 ILE N N 117.71 0.15 . 413 87 VAL H H 8.96 0.03 . 414 87 VAL HG1 H 0.87 0.03 . 415 87 VAL C C 175.79 0.15 . 416 87 VAL CA C 61.85 0.15 . 417 87 VAL CB C 32.99 0.15 . 418 87 VAL CG1 C 21.91 0.15 . 419 87 VAL N N 126.48 0.15 . 420 88 VAL H H 8.74 0.03 . 421 88 VAL C C 173.01 0.15 . 422 88 VAL CA C 57.39 0.15 . 423 88 VAL CB C 35.20 0.15 . 424 88 VAL N N 117.64 0.15 . 425 89 ASP H H 9.09 0.03 . 426 89 ASP C C 175.90 0.15 . 427 89 ASP CA C 53.12 0.15 . 428 89 ASP CB C 43.92 0.15 . 429 89 ASP N N 122.28 0.15 . 430 90 ILE H H 9.02 0.03 . 431 90 ILE CA C 56.37 0.15 . 432 90 ILE CB C 44.21 0.15 . 433 90 ILE N N 125.65 0.15 . 434 91 PRO C C 173.99 0.15 . 435 91 PRO CA C 63.91 0.15 . 436 92 HIS H H 8.54 0.03 . 437 92 HIS C C 173.74 0.15 . 438 92 HIS CA C 56.13 0.15 . 439 92 HIS CB C 35.41 0.15 . 440 92 HIS N N 117.12 0.15 . 441 93 GLY H H 8.43 0.03 . 442 93 GLY C C 175.82 0.15 . 443 93 GLY CA C 45.55 0.15 . 444 93 GLY N N 108.46 0.15 . 445 94 GLU H H 9.20 0.03 . 446 94 GLU C C 176.61 0.15 . 447 94 GLU CA C 54.85 0.15 . 448 94 GLU CB C 30.52 0.15 . 449 94 GLU N N 120.70 0.15 . 450 95 ALA H H 9.22 0.03 . 451 95 ALA C C 175.29 0.15 . 452 95 ALA CA C 51.33 0.15 . 453 95 ALA N N 130.30 0.15 . 454 96 TRP H H 5.93 0.03 . 455 96 TRP HE1 H 10.45 0.03 . 456 96 TRP C C 176.54 0.15 . 457 96 TRP CA C 52.10 0.15 . 458 96 TRP N N 114.23 0.15 . 459 96 TRP NE1 N 131.56 0.15 . 460 97 LEU H H 7.83 0.03 . 461 97 LEU C C 175.69 0.15 . 462 97 LEU CA C 55.50 0.15 . 463 97 LEU CB C 43.07 0.15 . 464 97 LEU N N 118.00 0.15 . 465 98 ARG H H 8.53 0.03 . 466 98 ARG C C 177.60 0.15 . 467 98 ARG CA C 56.46 0.15 . 468 98 ARG N N 130.33 0.15 . 469 99 ASP H H 8.74 0.03 . 470 99 ASP C C 175.86 0.15 . 471 99 ASP CA C 54.51 0.15 . 472 99 ASP N N 121.26 0.15 . 473 100 ASP H H 8.25 0.03 . 474 100 ASP CA C 54.80 0.15 . 475 100 ASP CB C 40.85 0.15 . 476 100 ASP N N 118.75 0.15 . 477 101 GLU H H 8.29 0.03 . 478 101 GLU C C 176.17 0.15 . 479 101 GLU CA C 55.92 0.15 . 480 101 GLU CB C 31.54 0.15 . 481 101 GLU N N 120.41 0.15 . 482 102 GLU H H 8.52 0.03 . 483 102 GLU CA C 57.17 0.15 . 484 102 GLU N N 122.43 0.15 . 485 104 PRO C C 174.96 0.15 . 486 104 PRO CA C 63.11 0.15 . 487 105 MET H H 8.44 0.03 . 488 105 MET C C 176.86 0.15 . 489 105 MET CA C 55.29 0.15 . 490 105 MET CB C 38.68 0.15 . 491 105 MET N N 117.99 0.15 . 492 106 ILE H H 9.55 0.03 . 493 106 ILE HD1 H -0.30 0.03 . 494 106 ILE C C 174.12 0.15 . 495 106 ILE CA C 60.48 0.15 . 496 106 ILE CB C 40.98 0.15 . 497 106 ILE CD1 C 12.47 0.15 . 498 106 ILE N N 126.69 0.15 . 499 107 LEU H H 9.28 0.03 . 500 107 LEU HD2 H 0.72 0.03 . 501 107 LEU C C 175.29 0.15 . 502 107 LEU CA C 52.91 0.15 . 503 107 LEU CB C 43.91 0.15 . 504 107 LEU CD2 C 27.31 0.15 . 505 107 LEU N N 127.63 0.15 . 506 108 ILE H H 9.48 0.03 . 507 108 ILE HD1 H 0.84 0.03 . 508 108 ILE C C 173.37 0.15 . 509 108 ILE CA C 60.68 0.15 . 510 108 ILE CB C 40.45 0.15 . 511 108 ILE CD1 C 16.74 0.15 . 512 108 ILE N N 123.91 0.15 . 513 109 ALA H H 9.32 0.03 . 514 109 ALA C C 176.17 0.15 . 515 109 ALA CA C 49.53 0.15 . 516 109 ALA CB C 20.48 0.15 . 517 109 ALA N N 128.43 0.15 . 518 110 GLY H H 8.65 0.03 . 519 110 GLY CA C 43.73 0.15 . 520 110 GLY N N 110.02 0.15 . 521 111 GLY C C 177.60 0.15 . 522 111 GLY CA C 47.97 0.15 . 523 112 THR H H 8.98 0.03 . 524 112 THR CA C 64.39 0.15 . 525 112 THR CB C 68.62 0.15 . 526 112 THR N N 117.67 0.15 . 527 118 ARG C C 177.17 0.15 . 528 118 ARG CA C 59.61 0.15 . 529 118 ARG CB C 28.53 0.15 . 530 119 SER H H 7.25 0.03 . 531 119 SER C C 170.01 0.15 . 532 119 SER CA C 62.60 0.15 . 533 119 SER CB C 65.32 0.15 . 534 119 SER N N 112.12 0.15 . 535 120 ILE H H 6.97 0.03 . 536 120 ILE HD1 H -0.08 0.03 . 537 120 ILE C C 176.33 0.15 . 538 120 ILE CA C 66.45 0.15 . 539 120 ILE CB C 37.49 0.15 . 540 120 ILE CD1 C 13.20 0.15 . 541 120 ILE N N 119.35 0.15 . 542 121 LEU H H 8.68 0.03 . 543 121 LEU HD1 H 0.61 0.03 . 544 121 LEU HD2 H 0.69 0.03 . 545 121 LEU C C 177.71 0.15 . 546 121 LEU CA C 58.65 0.15 . 547 121 LEU CB C 42.26 0.15 . 548 121 LEU CD1 C 26.93 0.15 . 549 121 LEU CD2 C 25.68 0.15 . 550 121 LEU N N 120.61 0.15 . 551 122 LEU H H 8.27 0.03 . 552 122 LEU HD1 H 0.77 0.03 . 553 122 LEU C C 180.69 0.15 . 554 122 LEU CA C 57.59 0.15 . 555 122 LEU CB C 41.18 0.15 . 556 122 LEU CD1 C 25.37 0.15 . 557 122 LEU N N 115.57 0.15 . 558 123 THR H H 7.54 0.03 . 559 123 THR C C 176.33 0.15 . 560 123 THR CA C 67.26 0.15 . 561 123 THR CB C 67.89 0.15 . 562 123 THR N N 118.49 0.15 . 563 124 ALA H H 8.67 0.03 . 564 124 ALA C C 181.41 0.15 . 565 124 ALA CA C 55.45 0.15 . 566 124 ALA CB C 18.26 0.15 . 567 124 ALA N N 124.50 0.15 . 568 125 LEU H H 7.95 0.03 . 569 125 LEU HD1 H 0.19 0.03 . 570 125 LEU HD2 H 0.48 0.03 . 571 125 LEU C C 178.57 0.15 . 572 125 LEU CA C 56.23 0.15 . 573 125 LEU CB C 41.25 0.15 . 574 125 LEU CD1 C 25.78 0.15 . 575 125 LEU CD2 C 22.28 0.15 . 576 125 LEU N N 117.51 0.15 . 577 126 ALA H H 7.22 0.03 . 578 126 ALA C C 180.09 0.15 . 579 126 ALA CA C 54.37 0.15 . 580 126 ALA CB C 18.08 0.15 . 581 126 ALA N N 120.93 0.15 . 582 127 ARG H H 7.13 0.03 . 583 127 ARG C C 177.48 0.15 . 584 127 ARG CA C 57.71 0.15 . 585 127 ARG CB C 30.63 0.15 . 586 127 ARG N N 116.02 0.15 . 587 128 ASN H H 7.50 0.03 . 588 128 ASN CA C 50.42 0.15 . 589 128 ASN CB C 39.04 0.15 . 590 128 ASN N N 113.16 0.15 . 591 129 PRO C C 178.11 0.15 . 592 129 PRO CA C 64.28 0.15 . 593 129 PRO CB C 32.05 0.15 . 594 130 ASN H H 7.77 0.03 . 595 130 ASN C C 174.67 0.15 . 596 130 ASN CA C 53.15 0.15 . 597 130 ASN CB C 39.23 0.15 . 598 130 ASN N N 116.46 0.15 . 599 131 ARG H H 7.12 0.03 . 600 131 ARG C C 174.18 0.15 . 601 131 ARG CA C 56.88 0.15 . 602 131 ARG CB C 30.09 0.15 . 603 131 ARG N N 122.88 0.15 . 604 132 ASP H H 7.92 0.03 . 605 132 ASP C C 174.54 0.15 . 606 132 ASP CA C 54.18 0.15 . 607 132 ASP CB C 40.82 0.15 . 608 132 ASP N N 125.44 0.15 . 609 133 ILE H H 7.89 0.03 . 610 133 ILE HD1 H 0.56 0.03 . 611 133 ILE C C 174.59 0.15 . 612 133 ILE CA C 60.50 0.15 . 613 133 ILE CB C 42.78 0.15 . 614 133 ILE CD1 C 15.53 0.15 . 615 133 ILE N N 126.06 0.15 . 616 134 THR H H 8.46 0.03 . 617 134 THR C C 173.28 0.15 . 618 134 THR CA C 61.38 0.15 . 619 134 THR CB C 70.27 0.15 . 620 134 THR N N 123.99 0.15 . 621 135 ILE H H 8.94 0.03 . 622 135 ILE HD1 H 0.78 0.03 . 623 135 ILE C C 172.01 0.15 . 624 135 ILE CA C 56.97 0.15 . 625 135 ILE CB C 41.00 0.15 . 626 135 ILE CD1 C 14.80 0.15 . 627 135 ILE N N 125.08 0.15 . 628 136 TYR H H 9.38 0.03 . 629 136 TYR C C 174.61 0.15 . 630 136 TYR CA C 56.10 0.15 . 631 136 TYR CB C 40.85 0.15 . 632 136 TYR N N 128.40 0.15 . 633 137 TRP H H 8.18 0.03 . 634 137 TRP HE1 H 10.41 0.03 . 635 137 TRP C C 174.38 0.15 . 636 137 TRP CA C 52.64 0.15 . 637 137 TRP CB C 31.68 0.15 . 638 137 TRP N N 125.02 0.15 . 639 137 TRP NE1 N 128.63 0.15 . 640 138 GLY H H 9.34 0.03 . 641 138 GLY C C 172.43 0.15 . 642 138 GLY CA C 44.96 0.15 . 643 138 GLY N N 112.50 0.15 . 644 139 GLY H H 8.43 0.03 . 645 139 GLY CA C 43.97 0.15 . 646 139 GLY N N 110.73 0.15 . 647 141 GLU C C 176.64 0.15 . 648 141 GLU CA C 53.80 0.15 . 649 141 GLU CB C 33.79 0.15 . 650 142 GLU H H 9.02 0.03 . 651 142 GLU C C 179.17 0.15 . 652 142 GLU CA C 60.22 0.15 . 653 142 GLU CB C 29.03 0.15 . 654 142 GLU N N 122.84 0.15 . 655 143 GLN H H 8.37 0.03 . 656 143 GLN C C 176.88 0.15 . 657 143 GLN CA C 57.38 0.15 . 658 143 GLN CB C 26.97 0.15 . 659 143 GLN N N 115.16 0.15 . 660 144 HIS H H 7.34 0.03 . 661 144 HIS C C 176.19 0.15 . 662 144 HIS CA C 58.01 0.15 . 663 144 HIS CB C 31.58 0.15 . 664 144 HIS N N 119.31 0.15 . 665 145 LEU H H 7.14 0.03 . 666 145 LEU HD1 H -0.42 0.03 . 667 145 LEU HD2 H 0.52 0.03 . 668 145 LEU C C 177.36 0.15 . 669 145 LEU CA C 51.76 0.15 . 670 145 LEU CB C 37.37 0.15 . 671 145 LEU CD1 C 20.89 0.15 . 672 145 LEU CD2 C 26.91 0.15 . 673 145 LEU N N 120.85 0.15 . 674 146 TYR H H 6.28 0.03 . 675 146 TYR C C 174.81 0.15 . 676 146 TYR CA C 59.12 0.15 . 677 146 TYR CB C 38.50 0.15 . 678 146 TYR N N 117.87 0.15 . 679 147 ASP H H 6.26 0.03 . 680 147 ASP C C 176.28 0.15 . 681 147 ASP CA C 53.12 0.15 . 682 147 ASP CB C 41.04 0.15 . 683 147 ASP N N 121.57 0.15 . 684 148 LEU H H 7.34 0.03 . 685 148 LEU C C 178.45 0.15 . 686 148 LEU CA C 58.65 0.15 . 687 148 LEU CB C 40.92 0.15 . 688 148 LEU N N 121.20 0.15 . 689 149 CYS H H 8.58 0.03 . 690 149 CYS C C 177.96 0.15 . 691 149 CYS CA C 62.55 0.15 . 692 149 CYS CB C 26.50 0.15 . 693 149 CYS N N 117.05 0.15 . 694 150 GLU H H 7.74 0.03 . 695 150 GLU C C 179.15 0.15 . 696 150 GLU CA C 59.46 0.15 . 697 150 GLU CB C 29.25 0.15 . 698 150 GLU N N 122.79 0.15 . 699 151 LEU H H 7.39 0.03 . 700 151 LEU HD1 H 1.00 0.03 . 701 151 LEU HD2 H 0.91 0.03 . 702 151 LEU C C 178.83 0.15 . 703 151 LEU CA C 57.75 0.15 . 704 151 LEU CB C 41.95 0.15 . 705 151 LEU CD1 C 26.04 0.15 . 706 151 LEU CD2 C 23.50 0.15 . 707 151 LEU N N 118.98 0.15 . 708 152 GLU H H 8.50 0.03 . 709 152 GLU C C 180.07 0.15 . 710 152 GLU CA C 59.70 0.15 . 711 152 GLU CB C 29.12 0.15 . 712 152 GLU N N 119.49 0.15 . 713 153 ALA H H 7.70 0.03 . 714 153 ALA C C 181.58 0.15 . 715 153 ALA CA C 55.39 0.15 . 716 153 ALA CB C 17.77 0.15 . 717 153 ALA N N 122.68 0.15 . 718 154 LEU H H 8.03 0.03 . 719 154 LEU HD2 H 0.88 0.03 . 720 154 LEU C C 179.86 0.15 . 721 154 LEU CA C 57.97 0.15 . 722 154 LEU CB C 42.26 0.15 . 723 154 LEU CD2 C 24.02 0.15 . 724 154 LEU N N 120.49 0.15 . 725 155 SER H H 8.04 0.03 . 726 155 SER C C 175.01 0.15 . 727 155 SER CA C 61.78 0.15 . 728 155 SER CB C 63.25 0.15 . 729 155 SER N N 115.38 0.15 . 730 156 LEU H H 7.17 0.03 . 731 156 LEU HD1 H 0.90 0.03 . 732 156 LEU HD2 H 0.83 0.03 . 733 156 LEU C C 178.56 0.15 . 734 156 LEU CA C 56.85 0.15 . 735 156 LEU CB C 41.53 0.15 . 736 156 LEU CD1 C 25.40 0.15 . 737 156 LEU CD2 C 22.89 0.15 . 738 156 LEU N N 119.10 0.15 . 739 157 LYS H H 7.15 0.03 . 740 157 LYS C C 175.62 0.15 . 741 157 LYS CA C 56.57 0.15 . 742 157 LYS CB C 34.34 0.15 . 743 157 LYS N N 116.72 0.15 . 744 158 HIS H H 7.39 0.03 . 745 158 HIS CA C 53.64 0.15 . 746 158 HIS CB C 29.54 0.15 . 747 158 HIS N N 120.13 0.15 . 748 159 PRO C C 177.49 0.15 . 749 159 PRO CA C 64.81 0.15 . 750 159 PRO CB C 32.04 0.15 . 751 160 GLY H H 8.59 0.03 . 752 160 GLY C C 173.91 0.15 . 753 160 GLY CA C 45.06 0.15 . 754 160 GLY N N 108.78 0.15 . 755 161 LEU H H 7.38 0.03 . 756 161 LEU C C 175.47 0.15 . 757 161 LEU CA C 54.18 0.15 . 758 161 LEU CB C 43.32 0.15 . 759 161 LEU N N 123.82 0.15 . 760 162 GLN H H 8.98 0.03 . 761 162 GLN C C 173.89 0.15 . 762 162 GLN CA C 54.56 0.15 . 763 162 GLN CB C 31.63 0.15 . 764 162 GLN N N 127.16 0.15 . 765 163 VAL H H 8.67 0.03 . 766 163 VAL C C 175.36 0.15 . 767 163 VAL CA C 61.22 0.15 . 768 163 VAL CB C 33.26 0.15 . 769 163 VAL N N 125.23 0.15 . 770 164 VAL H H 9.20 0.03 . 771 164 VAL CA C 59.58 0.15 . 772 164 VAL CB C 32.24 0.15 . 773 164 VAL N N 130.08 0.15 . 774 165 PRO C C 176.55 0.15 . 775 165 PRO CB C 33.12 0.15 . 776 166 VAL H H 9.12 0.03 . 777 166 VAL HG1 H 0.52 0.03 . 778 166 VAL C C 174.25 0.15 . 779 166 VAL CA C 61.21 0.15 . 780 166 VAL CB C 34.27 0.15 . 781 166 VAL CG1 C 21.81 0.15 . 782 166 VAL N N 124.88 0.15 . 783 167 VAL H H 7.74 0.03 . 784 167 VAL HG1 H -0.02 0.03 . 785 167 VAL HG2 H -0.30 0.03 . 786 167 VAL C C 176.01 0.15 . 787 167 VAL CA C 58.87 0.15 . 788 167 VAL CB C 35.32 0.15 . 789 167 VAL CG1 C 21.56 0.15 . 790 167 VAL CG2 C 21.35 0.15 . 791 167 VAL N N 122.20 0.15 . 792 168 GLU H H 7.86 0.03 . 793 168 GLU C C 177.57 0.15 . 794 168 GLU CA C 59.83 0.15 . 795 168 GLU CB C 31.24 0.15 . 796 168 GLU N N 124.69 0.15 . 797 169 GLN H H 7.84 0.03 . 798 169 GLN CA C 52.57 0.15 . 799 169 GLN CB C 28.41 0.15 . 800 169 GLN N N 117.12 0.15 . 801 170 PRO C C 177.19 0.15 . 802 170 PRO CA C 62.72 0.15 . 803 170 PRO CB C 32.51 0.15 . 804 171 GLU H H 8.74 0.03 . 805 171 GLU C C 177.55 0.15 . 806 171 GLU CA C 55.03 0.15 . 807 171 GLU CB C 30.72 0.15 . 808 171 GLU N N 121.58 0.15 . 809 172 ALA H H 8.55 0.03 . 810 172 ALA C C 179.30 0.15 . 811 172 ALA CA C 54.45 0.15 . 812 172 ALA CB C 18.13 0.15 . 813 172 ALA N N 124.02 0.15 . 814 173 GLY H H 8.55 0.03 . 815 173 GLY C C 174.61 0.15 . 816 173 GLY CA C 45.24 0.15 . 817 173 GLY N N 108.73 0.15 . 818 174 TRP H H 7.42 0.03 . 819 174 TRP HE1 H 9.88 0.03 . 820 174 TRP C C 177.67 0.15 . 821 174 TRP CA C 57.61 0.15 . 822 174 TRP CB C 31.14 0.15 . 823 174 TRP N N 122.27 0.15 . 824 174 TRP NE1 N 129.35 0.15 . 825 175 ARG H H 8.01 0.03 . 826 175 ARG CA C 55.29 0.15 . 827 175 ARG CB C 29.75 0.15 . 828 175 ARG N N 126.63 0.15 . 829 176 GLY C C 173.19 0.15 . 830 176 GLY CA C 44.01 0.15 . 831 177 ARG H H 8.63 0.03 . 832 177 ARG C C 177.91 0.15 . 833 177 ARG CA C 54.27 0.15 . 834 177 ARG CB C 30.47 0.15 . 835 177 ARG N N 118.84 0.15 . 836 178 THR H H 8.87 0.03 . 837 178 THR C C 174.20 0.15 . 838 178 THR CA C 61.07 0.15 . 839 178 THR CB C 71.52 0.15 . 840 178 THR N N 118.01 0.15 . 841 179 GLY H H 7.92 0.03 . 842 179 GLY C C 173.08 0.15 . 843 179 GLY CA C 43.88 0.15 . 844 179 GLY N N 112.06 0.15 . 845 180 THR H H 8.23 0.03 . 846 180 THR C C 177.16 0.15 . 847 180 THR CA C 60.59 0.15 . 848 180 THR CB C 71.30 0.15 . 849 180 THR N N 110.49 0.15 . 850 181 VAL H H 8.36 0.03 . 851 181 VAL HG1 H 1.13 0.03 . 852 181 VAL C C 175.39 0.15 . 853 181 VAL CA C 65.07 0.15 . 854 181 VAL CB C 32.61 0.15 . 855 181 VAL CG1 C 23.88 0.15 . 856 181 VAL N N 119.70 0.15 . 857 182 LEU H H 7.21 0.03 . 858 182 LEU HD1 H 0.65 0.03 . 859 182 LEU C C 178.53 0.15 . 860 182 LEU CA C 57.68 0.15 . 861 182 LEU CB C 40.22 0.15 . 862 182 LEU CD1 C 25.89 0.15 . 863 182 LEU N N 116.08 0.15 . 864 183 THR H H 7.30 0.03 . 865 183 THR C C 176.27 0.15 . 866 183 THR CA C 66.08 0.15 . 867 183 THR CB C 68.68 0.15 . 868 183 THR N N 113.27 0.15 . 869 184 ALA H H 6.88 0.03 . 870 184 ALA C C 178.20 0.15 . 871 184 ALA CA C 55.20 0.15 . 872 184 ALA CB C 18.42 0.15 . 873 184 ALA N N 123.26 0.15 . 874 185 VAL H H 6.84 0.03 . 875 185 VAL HG1 H 0.30 0.03 . 876 185 VAL HG2 H 0.05 0.03 . 877 185 VAL C C 178.58 0.15 . 878 185 VAL CA C 66.09 0.15 . 879 185 VAL CB C 31.21 0.15 . 880 185 VAL CG1 C 22.00 0.15 . 881 185 VAL CG2 C 20.00 0.15 . 882 185 VAL N N 116.78 0.15 . 883 186 LEU H H 7.50 0.03 . 884 186 LEU HD1 H 0.76 0.03 . 885 186 LEU C C 179.53 0.15 . 886 186 LEU CA C 57.62 0.15 . 887 186 LEU CB C 41.45 0.15 . 888 186 LEU CD1 C 23.36 0.15 . 889 186 LEU N N 117.13 0.15 . 890 187 GLN H H 7.75 0.03 . 891 187 GLN C C 177.56 0.15 . 892 187 GLN CA C 57.79 0.15 . 893 187 GLN CB C 28.46 0.15 . 894 187 GLN N N 117.66 0.15 . 895 188 ASP H H 7.26 0.03 . 896 188 ASP C C 176.42 0.15 . 897 188 ASP CA C 55.80 0.15 . 898 188 ASP CB C 41.94 0.15 . 899 188 ASP N N 118.07 0.15 . 900 189 HIS H H 7.19 0.03 . 901 189 HIS CA C 55.66 0.15 . 902 189 HIS CB C 32.58 0.15 . 903 189 HIS N N 117.14 0.15 . 904 190 GLY C C 174.19 0.15 . 905 190 GLY CA C 46.06 0.15 . 906 191 THR H H 7.60 0.03 . 907 191 THR C C 172.99 0.15 . 908 191 THR CA C 59.51 0.15 . 909 191 THR CB C 69.63 0.15 . 910 191 THR N N 112.07 0.15 . 911 192 LEU H H 9.16 0.03 . 912 192 LEU HD1 H -0.18 0.03 . 913 192 LEU HD2 H -0.07 0.03 . 914 192 LEU C C 177.28 0.15 . 915 192 LEU CA C 54.32 0.15 . 916 192 LEU CB C 42.51 0.15 . 917 192 LEU CD1 C 25.34 0.15 . 918 192 LEU CD2 C 23.05 0.15 . 919 192 LEU N N 127.58 0.15 . 920 193 ALA H H 7.80 0.03 . 921 193 ALA C C 178.77 0.15 . 922 193 ALA CA C 55.96 0.15 . 923 193 ALA CB C 20.22 0.15 . 924 193 ALA N N 124.21 0.15 . 925 194 GLU H H 8.82 0.03 . 926 194 GLU C C 175.69 0.15 . 927 194 GLU CA C 55.75 0.15 . 928 194 GLU CB C 29.13 0.15 . 929 194 GLU N N 115.00 0.15 . 930 195 HIS H H 6.92 0.03 . 931 195 HIS C C 177.10 0.15 . 932 195 HIS CA C 57.96 0.15 . 933 195 HIS CB C 33.52 0.15 . 934 195 HIS N N 115.92 0.15 . 935 196 ASP H H 8.70 0.03 . 936 196 ASP C C 175.47 0.15 . 937 196 ASP CA C 53.99 0.15 . 938 196 ASP CB C 42.09 0.15 . 939 196 ASP N N 123.08 0.15 . 940 197 ILE H H 8.33 0.03 . 941 197 ILE HD1 H 0.61 0.03 . 942 197 ILE C C 172.96 0.15 . 943 197 ILE CA C 60.45 0.15 . 944 197 ILE CB C 40.86 0.15 . 945 197 ILE CD1 C 15.49 0.15 . 946 197 ILE N N 123.28 0.15 . 947 198 TYR H H 8.89 0.03 . 948 198 TYR C C 176.00 0.15 . 949 198 TYR CA C 56.63 0.15 . 950 198 TYR CB C 39.91 0.15 . 951 198 TYR N N 126.91 0.15 . 952 199 ILE H H 9.13 0.03 . 953 199 ILE HD1 H 0.63 0.03 . 954 199 ILE C C 174.51 0.15 . 955 199 ILE CA C 59.66 0.15 . 956 199 ILE CB C 42.54 0.15 . 957 199 ILE CD1 C 15.23 0.15 . 958 199 ILE N N 122.39 0.15 . 959 200 ALA H H 8.82 0.03 . 960 200 ALA C C 174.76 0.15 . 961 200 ALA CA C 51.85 0.15 . 962 200 ALA CB C 25.09 0.15 . 963 200 ALA N N 129.60 0.15 . 964 201 GLY H H 7.57 0.03 . 965 201 GLY CA C 43.89 0.15 . 966 201 GLY N N 107.19 0.15 . 967 204 GLU C C 178.45 0.15 . 968 204 GLU CA C 59.89 0.15 . 969 204 GLU CB C 28.92 0.15 . 970 205 MET H H 6.32 0.03 . 971 205 MET C C 176.58 0.15 . 972 205 MET CA C 58.30 0.15 . 973 205 MET CB C 31.74 0.15 . 974 205 MET N N 116.44 0.15 . 975 206 ALA H H 6.92 0.03 . 976 206 ALA C C 178.05 0.15 . 977 206 ALA CA C 55.27 0.15 . 978 206 ALA CB C 18.12 0.15 . 979 206 ALA N N 121.07 0.15 . 980 207 LYS H H 7.75 0.03 . 981 207 LYS C C 178.99 0.15 . 982 207 LYS CA C 60.32 0.15 . 983 207 LYS CB C 32.37 0.15 . 984 207 LYS N N 118.14 0.15 . 985 208 ILE H H 7.41 0.03 . 986 208 ILE HD1 H 0.82 0.03 . 987 208 ILE C C 177.58 0.15 . 988 208 ILE CA C 64.25 0.15 . 989 208 ILE CB C 38.00 0.15 . 990 208 ILE CD1 C 13.80 0.15 . 991 208 ILE N N 119.91 0.15 . 992 209 ALA H H 7.99 0.03 . 993 209 ALA C C 177.81 0.15 . 994 209 ALA CA C 54.74 0.15 . 995 209 ALA CB C 18.44 0.15 . 996 209 ALA N N 121.37 0.15 . 997 210 ARG H H 7.84 0.03 . 998 210 ARG C C 177.45 0.15 . 999 210 ARG CA C 59.90 0.15 . 1000 210 ARG CB C 29.59 0.15 . 1001 210 ARG N N 116.55 0.15 . 1002 211 ASP H H 7.21 0.03 . 1003 211 ASP C C 179.16 0.15 . 1004 211 ASP CA C 57.51 0.15 . 1005 211 ASP CB C 40.49 0.15 . 1006 211 ASP N N 118.00 0.15 . 1007 212 LEU H H 8.60 0.03 . 1008 212 LEU HD1 H 0.69 0.03 . 1009 212 LEU C C 179.85 0.15 . 1010 212 LEU CA C 57.85 0.15 . 1011 212 LEU CB C 43.02 0.15 . 1012 212 LEU CD1 C 25.31 0.15 . 1013 212 LEU N N 120.70 0.15 . 1014 213 PHE H H 9.34 0.03 . 1015 213 PHE C C 180.02 0.15 . 1016 213 PHE CA C 57.14 0.15 . 1017 213 PHE CB C 35.40 0.15 . 1018 213 PHE N N 117.45 0.15 . 1019 214 CYS H H 7.88 0.03 . 1020 214 CYS C C 176.14 0.15 . 1021 214 CYS CA C 63.00 0.15 . 1022 214 CYS CB C 27.64 0.15 . 1023 214 CYS N N 117.22 0.15 . 1024 215 SER H H 7.74 0.03 . 1025 215 SER C C 176.57 0.15 . 1026 215 SER CA C 61.18 0.15 . 1027 215 SER CB C 64.02 0.15 . 1028 215 SER N N 113.38 0.15 . 1029 216 GLU H H 8.24 0.03 . 1030 216 GLU C C 178.95 0.15 . 1031 216 GLU CA C 56.91 0.15 . 1032 216 GLU CB C 30.66 0.15 . 1033 216 GLU N N 117.33 0.15 . 1034 217 ARG H H 6.88 0.03 . 1035 217 ARG C C 175.11 0.15 . 1036 217 ARG CA C 52.98 0.15 . 1037 217 ARG CB C 31.45 0.15 . 1038 217 ARG N N 115.72 0.15 . 1039 218 ASN H H 7.92 0.03 . 1040 218 ASN C C 173.68 0.15 . 1041 218 ASN CA C 54.95 0.15 . 1042 218 ASN CB C 37.73 0.15 . 1043 218 ASN N N 114.54 0.15 . 1044 219 ALA H H 7.72 0.03 . 1045 219 ALA C C 176.95 0.15 . 1046 219 ALA CA C 52.55 0.15 . 1047 219 ALA CB C 18.75 0.15 . 1048 219 ALA N N 118.41 0.15 . 1049 220 ARG H H 9.09 0.03 . 1050 220 ARG C C 178.17 0.15 . 1051 220 ARG CA C 55.02 0.15 . 1052 220 ARG CB C 29.89 0.15 . 1053 220 ARG N N 122.44 0.15 . 1054 221 GLU H H 9.01 0.03 . 1055 221 GLU C C 176.87 0.15 . 1056 221 GLU CA C 59.55 0.15 . 1057 221 GLU CB C 29.13 0.15 . 1058 221 GLU N N 127.76 0.15 . 1059 222 ASP H H 8.39 0.03 . 1060 222 ASP C C 175.22 0.15 . 1061 222 ASP CA C 54.24 0.15 . 1062 222 ASP CB C 39.21 0.15 . 1063 222 ASP N N 112.49 0.15 . 1064 223 ARG H H 6.84 0.03 . 1065 223 ARG C C 171.57 0.15 . 1066 223 ARG CA C 52.02 0.15 . 1067 223 ARG CB C 26.55 0.15 . 1068 223 ARG N N 117.90 0.15 . 1069 224 LEU H H 5.78 0.03 . 1070 224 LEU HD1 H 0.46 0.03 . 1071 224 LEU C C 174.49 0.15 . 1072 224 LEU CA C 53.59 0.15 . 1073 224 LEU CB C 42.48 0.15 . 1074 224 LEU CD1 C 26.29 0.15 . 1075 224 LEU N N 122.73 0.15 . 1076 225 PHE H H 9.27 0.03 . 1077 225 PHE C C 174.85 0.15 . 1078 225 PHE CA C 55.91 0.15 . 1079 225 PHE CB C 42.53 0.15 . 1080 225 PHE N N 126.00 0.15 . 1081 226 GLY H H 8.46 0.03 . 1082 226 GLY C C 174.98 0.15 . 1083 226 GLY CA C 46.53 0.15 . 1084 226 GLY N N 108.28 0.15 . 1085 227 ASP H H 9.82 0.03 . 1086 227 ASP C C 177.52 0.15 . 1087 227 ASP CA C 58.53 0.15 . 1088 227 ASP CB C 40.72 0.15 . 1089 227 ASP N N 128.93 0.15 . 1090 228 ALA H H 8.31 0.03 . 1091 228 ALA C C 178.93 0.15 . 1092 228 ALA CA C 54.05 0.15 . 1093 228 ALA CB C 19.71 0.15 . 1094 228 ALA N N 118.30 0.15 . 1095 229 PHE H H 6.34 0.03 . 1096 229 PHE C C 175.94 0.15 . 1097 229 PHE CA C 57.94 0.15 . 1098 229 PHE CB C 37.04 0.15 . 1099 229 PHE N N 111.78 0.15 . 1100 230 ALA H H 7.36 0.03 . 1101 230 ALA C C 177.51 0.15 . 1102 230 ALA CA C 53.02 0.15 . 1103 230 ALA CB C 18.90 0.15 . 1104 230 ALA N N 121.47 0.15 . 1105 231 PHE H H 7.67 0.03 . 1106 231 PHE C C 175.33 0.15 . 1107 231 PHE CA C 58.78 0.15 . 1108 231 PHE CB C 42.14 0.15 . 1109 231 PHE N N 117.13 0.15 . 1110 232 ILE H H 7.30 0.03 . 1111 232 ILE CA C 62.73 0.15 . 1112 232 ILE CB C 39.94 0.15 . 1113 232 ILE N N 122.37 0.15 . stop_ save_