data_6399 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C and 15N resonance assignments for the 24 kDa TPR domain in p67phox ; _BMRB_accession_number 6399 _BMRB_flat_file_name bmr6399.str _Entry_type original _Submission_date 2004-11-23 _Accession_date 2004-11-24 _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 Yoshida Shinichi . . 2 Ogura Kenji . . 3 Yokochi Masashi . . 4 Yuzawa Satoru . . 5 Horiuchi Masataka . . 6 Morioka Hiroshi . . 7 Sumimoto Hideki . . 8 Inagaki Fuyuhiko . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 305 "13C chemical shifts" 675 "15N chemical shifts" 215 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2005-07-26 original author . stop_ _Original_release_date 2005-07-26 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; 1H, 13C and 15N resonance assignments of the backbone and methyl groups of the 24 kDa tetratricopeptide repeat domain in p67phox ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Yoshida Shinichi . . 2 Ogura Kenji . . 3 Yokochi Masashi . . 4 Yuzawa Satoru . . 5 Horiuchi Masataka . . 6 Morioka Hiroshi . . 7 Sumimoto Hideki . . 8 Inagaki Fuyuhiko . . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_volume 32 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 176 _Page_last 176 _Year 2005 _Details . save_ ################################## # Molecular system description # ################################## save_assembly_TPR _Saveframe_category molecular_system _Mol_system_name 'TPR domain in p67phox' _Abbreviation_common 'TPR domain in p67phox' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'TPR domain in p67phox' $TPR_domain_in_p67phox stop_ _System_molecular_weight 23944 _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'all free' loop_ _Biological_function 'NADPH oxidase' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_TPR_domain_in_p67phox _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common TPR _Abbreviation_common TPR _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 208 _Mol_residue_sequence ; GAMGSMSLVEAISLWNEGVL AADKKDWKGALDAFSAVQDP HSRICFNIGCMYTILKNMTE AEKAFTRSINRDKHLAVAYF QRGMLYYQTEKYDLAIKDLK EALIQLRGNQLIDYKILGLQ FKLFACEVLYNIAFMYAKKE EWKKAEEQLALATSMKSEPR HSKIDKAMECVWKQKLYEPV VIPVGKLFRPNERQVAQLAK KDYLGKAT ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -4 GLY 2 -3 ALA 3 -2 MET 4 -1 GLY 5 0 SER 6 1 MET 7 2 SER 8 3 LEU 9 4 VAL 10 5 GLU 11 6 ALA 12 7 ILE 13 8 SER 14 9 LEU 15 10 TRP 16 11 ASN 17 12 GLU 18 13 GLY 19 14 VAL 20 15 LEU 21 16 ALA 22 17 ALA 23 18 ASP 24 19 LYS 25 20 LYS 26 21 ASP 27 22 TRP 28 23 LYS 29 24 GLY 30 25 ALA 31 26 LEU 32 27 ASP 33 28 ALA 34 29 PHE 35 30 SER 36 31 ALA 37 32 VAL 38 33 GLN 39 34 ASP 40 35 PRO 41 36 HIS 42 37 SER 43 38 ARG 44 39 ILE 45 40 CYS 46 41 PHE 47 42 ASN 48 43 ILE 49 44 GLY 50 45 CYS 51 46 MET 52 47 TYR 53 48 THR 54 49 ILE 55 50 LEU 56 51 LYS 57 52 ASN 58 53 MET 59 54 THR 60 55 GLU 61 56 ALA 62 57 GLU 63 58 LYS 64 59 ALA 65 60 PHE 66 61 THR 67 62 ARG 68 63 SER 69 64 ILE 70 65 ASN 71 66 ARG 72 67 ASP 73 68 LYS 74 69 HIS 75 70 LEU 76 71 ALA 77 72 VAL 78 73 ALA 79 74 TYR 80 75 PHE 81 76 GLN 82 77 ARG 83 78 GLY 84 79 MET 85 80 LEU 86 81 TYR 87 82 TYR 88 83 GLN 89 84 THR 90 85 GLU 91 86 LYS 92 87 TYR 93 88 ASP 94 89 LEU 95 90 ALA 96 91 ILE 97 92 LYS 98 93 ASP 99 94 LEU 100 95 LYS 101 96 GLU 102 97 ALA 103 98 LEU 104 99 ILE 105 100 GLN 106 101 LEU 107 102 ARG 108 103 GLY 109 104 ASN 110 105 GLN 111 106 LEU 112 107 ILE 113 108 ASP 114 109 TYR 115 110 LYS 116 111 ILE 117 112 LEU 118 113 GLY 119 114 LEU 120 115 GLN 121 116 PHE 122 117 LYS 123 118 LEU 124 119 PHE 125 120 ALA 126 121 CYS 127 122 GLU 128 123 VAL 129 124 LEU 130 125 TYR 131 126 ASN 132 127 ILE 133 128 ALA 134 129 PHE 135 130 MET 136 131 TYR 137 132 ALA 138 133 LYS 139 134 LYS 140 135 GLU 141 136 GLU 142 137 TRP 143 138 LYS 144 139 LYS 145 140 ALA 146 141 GLU 147 142 GLU 148 143 GLN 149 144 LEU 150 145 ALA 151 146 LEU 152 147 ALA 153 148 THR 154 149 SER 155 150 MET 156 151 LYS 157 152 SER 158 153 GLU 159 154 PRO 160 155 ARG 161 156 HIS 162 157 SER 163 158 LYS 164 159 ILE 165 160 ASP 166 161 LYS 167 162 ALA 168 163 MET 169 164 GLU 170 165 CYS 171 166 VAL 172 167 TRP 173 168 LYS 174 169 GLN 175 170 LYS 176 171 LEU 177 172 TYR 178 173 GLU 179 174 PRO 180 175 VAL 181 176 VAL 182 177 ILE 183 178 PRO 184 179 VAL 185 180 GLY 186 181 LYS 187 182 LEU 188 183 PHE 189 184 ARG 190 185 PRO 191 186 ASN 192 187 GLU 193 188 ARG 194 189 GLN 195 190 VAL 196 191 ALA 197 192 GLN 198 193 LEU 199 194 ALA 200 195 LYS 201 196 LYS 202 197 ASP 203 198 TYR 204 199 LEU 205 200 GLY 206 201 LYS 207 202 ALA 208 203 THR stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-28 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 1E96 "Structure Of The RacP67PHOX COMPLEX" 97.60 203 100.00 100.00 3.29e-147 PDB 1HH8 "The Active N-Terminal Region Of P67phox: Structure At 1.8 Angstrom Resolution And Biochemical Characterizations Of The A128v Mu" 97.60 213 99.51 100.00 3.85e-147 PDB 1WM5 "Crystal Structure Of The N-Terminal Tpr Domain (1-203) Of P67phox" 100.00 208 100.00 100.00 2.68e-151 DBJ BAD92884 "neutrophil cytosol factor 2 variant [Homo sapiens]" 97.60 598 100.00 100.00 4.67e-142 DBJ BAG35548 "unnamed protein product [Homo sapiens]" 97.60 526 99.51 100.00 2.05e-143 DBJ BAJ20290 "neutrophil cytosolic factor 2 [synthetic construct]" 97.60 526 99.51 100.00 1.72e-143 EMBL CAH92976 "hypothetical protein [Pongo abelii]" 97.60 526 98.52 99.01 4.49e-142 GB AAA36379 "neutrophil oxidase factor [Homo sapiens]" 97.60 526 100.00 100.00 1.05e-143 GB AAB60320 "neutrophil oxidase factor [Homo sapiens]" 97.60 526 100.00 100.00 1.14e-143 GB AAH01606 "Neutrophil cytosolic factor 2 [Homo sapiens]" 97.60 526 99.51 100.00 1.72e-143 GB AAM89263 "p67phox-like protein [Homo sapiens]" 97.60 526 99.51 100.00 2.05e-143 GB AAP36107 "neutrophil cytosolic factor 2 (65kDa, chronic granulomatous disease, autosomal 2) [Homo sapiens]" 97.60 526 99.51 100.00 1.72e-143 REF NP_000424 "neutrophil cytosol factor 2 isoform 1 [Homo sapiens]" 97.60 526 100.00 100.00 1.14e-143 REF NP_001121123 "neutrophil cytosol factor 2 isoform 1 [Homo sapiens]" 97.60 526 100.00 100.00 1.14e-143 REF NP_001127613 "neutrophil cytosol factor 2 [Pongo abelii]" 97.60 526 98.52 99.01 4.49e-142 REF XP_001114105 "PREDICTED: neutrophil cytosol factor 2 isoform 1 [Macaca mulatta]" 97.60 492 98.03 99.51 1.81e-141 REF XP_003264493 "PREDICTED: neutrophil cytosol factor 2 isoform 1 [Nomascus leucogenys]" 97.60 526 97.04 99.01 9.50e-140 SP P19878 "RecName: Full=Neutrophil cytosol factor 2; Short=NCF-2; AltName: Full=67 kDa neutrophil oxidase factor; AltName: Full=NADPH oxi" 97.60 526 100.00 100.00 1.14e-143 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Fraction _Gene_mnemonic $TPR_domain_in_p67phox Human 9606 Eukaryota Metazoa Homo sapiens cytoplasm NCF-2 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Variant _Vector_type _Vector_name $TPR_domain_in_p67phox 'recombinant technology' 'E. coli' Escherichia coli BL21 DE3 plasmid pPROEX-HTb stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details 'Uniform 2H/13C/15N-labeled sample.' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $TPR_domain_in_p67phox 0.8 mM '[U-80%(fractional) 2H; U-98% 13C; U-98% 15N]' Na-Pi 50 mM . NaCl 150 mM . DTT 1 mM . MgCl2 10 mM . EDTA 0.5 mM . H2O 90 % . D2O 10 % . stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details 'Val, Leu and Ile(d1) methyl 1H-, uniform 2H/13C/15N-labeled sample.' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $TPR_domain_in_p67phox 0.7 mM '[NA-Val, Leu and Ile(d1) methyl; U-98% 2H; U-98% 13C; U-98% 15N]' Na-Pi 50 mM . NaCl 150 mM . DTT 1 mM . MgCl2 10 mM . EDTA 0.5 mM . H2O 90 % . D2O 10 % . stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name NMRPipe/NMRDraw _Version . loop_ _Task processing peak-pick stop_ _Details . save_ save_software_2 _Saveframe_category software _Name Olivia _Version . loop_ _Vendor _Address _Electronic_address 'Yokochi Masashi' . . stop_ loop_ _Task 'assignment works' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_600MHz_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model 'Unity-Plus or AS' _Field_strength 600 _Details . save_ save_500MHz_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model AS _Field_strength 500 _Details 'equiupped with cold probe' save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label . save_ save_2D_1H-13C_CT-HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C CT-HSQC' _Sample_label . save_ save_HNCO_3 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _Sample_label . save_ save_HN(CA)CO_4 _Saveframe_category NMR_applied_experiment _Experiment_name HN(CA)CO _Sample_label . save_ save_HNCA_5 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _Sample_label . save_ save_HN(CO)CA_6 _Saveframe_category NMR_applied_experiment _Experiment_name HN(CO)CA _Sample_label . save_ save_HN(CA)CB_7 _Saveframe_category NMR_applied_experiment _Experiment_name HN(CA)CB _Sample_label . save_ save_HN(COCA)CB_8 _Saveframe_category NMR_applied_experiment _Experiment_name HN(COCA)CB _Sample_label . save_ save_C(CO)NH_9 _Saveframe_category NMR_applied_experiment _Experiment_name C(CO)NH _Sample_label . save_ save_H(CCO)NH_10 _Saveframe_category NMR_applied_experiment _Experiment_name H(CCO)NH _Sample_label . save_ save_H(C)CH-TOCSY_11 _Saveframe_category NMR_applied_experiment _Experiment_name H(C)CH-TOCSY _Sample_label . save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C CT-HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_4 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_5 _Saveframe_category NMR_applied_experiment _Experiment_name HN(CA)CO _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_6 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_7 _Saveframe_category NMR_applied_experiment _Experiment_name HN(CO)CA _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_ save_NMR_spec_expt__0_9 _Saveframe_category NMR_applied_experiment _Experiment_name HN(COCA)CB _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_10 _Saveframe_category NMR_applied_experiment _Experiment_name C(CO)NH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_11 _Saveframe_category NMR_applied_experiment _Experiment_name H(CCO)NH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_12 _Saveframe_category NMR_applied_experiment _Experiment_name H(C)CH-TOCSY _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.5 0.2 pH temperature 298 0.1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio _Indirect_shift_ratio_citation_label _Correction_value_citation_label DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 $citation_1 $citation_1 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 $citation_1 $citation_1 DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 $citation_1 $citation_1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $conditions_1 _Chem_shift_reference_set_label $chemical_shift_referencing _Mol_system_component_name 'TPR domain in p67phox' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 . 2 ALA C C 177.977 0.008 1 2 . 2 ALA CA C 52.234 0.002 1 3 . 2 ALA CB C 18.630 0.035 1 4 . 3 MET H H 8.577 0.001 1 5 . 3 MET C C 176.820 0.014 1 6 . 3 MET CA C 55.311 0.002 1 7 . 3 MET CB C 31.905 0.007 1 8 . 3 MET N N 119.773 0.000 1 9 . 4 GLY H H 8.435 0.003 1 10 . 4 GLY C C 174.206 0.010 1 11 . 4 GLY CA C 44.915 0.001 1 12 . 4 GLY N N 110.310 0.000 1 13 . 5 SER H H 8.261 0.001 1 14 . 5 SER C C 174.567 0.016 1 15 . 5 SER CA C 58.030 0.002 1 16 . 5 SER CB C 63.847 0.013 1 17 . 5 SER N N 115.826 0.000 1 18 . 6 MET H H 8.447 0.001 1 19 . 6 MET C C 176.395 0.010 1 20 . 6 MET CA C 55.903 0.006 1 21 . 6 MET CB C 32.681 0.008 1 22 . 6 MET N N 123.285 0.000 1 23 . 7 SER H H 8.776 0.003 1 24 . 7 SER C C 175.223 0.005 1 25 . 7 SER CA C 58.161 0.002 1 26 . 7 SER CB C 64.194 0.070 1 27 . 7 SER N N 121.000 0.000 1 28 . 8 LEU H H 8.484 0.006 1 29 . 8 LEU HD1 H 1.063 0.014 1 30 . 8 LEU HD2 H 0.996 0.005 1 31 . 8 LEU C C 178.918 0.004 1 32 . 8 LEU CA C 57.282 0.003 1 33 . 8 LEU CB C 40.769 0.016 1 34 . 8 LEU CD1 C 24.232 0.026 1 35 . 8 LEU CD2 C 24.393 0.004 1 36 . 8 LEU N N 123.710 0.000 1 37 . 9 VAL H H 7.948 0.008 1 38 . 9 VAL HG1 H 1.071 0.015 1 39 . 9 VAL HG2 H 0.991 0.011 1 40 . 9 VAL C C 178.179 0.001 1 41 . 9 VAL CA C 65.358 0.005 1 42 . 9 VAL CB C 30.950 0.038 1 43 . 9 VAL CG1 C 22.164 0.027 1 44 . 9 VAL CG2 C 21.135 0.040 1 45 . 9 VAL N N 116.736 0.000 1 46 . 10 GLU H H 7.969 0.012 1 47 . 10 GLU C C 178.528 0.006 1 48 . 10 GLU CA C 58.845 0.006 1 49 . 10 GLU CB C 29.141 0.027 1 50 . 10 GLU N N 121.969 0.000 1 51 . 11 ALA H H 8.064 0.020 1 52 . 11 ALA C C 180.146 0.016 1 53 . 11 ALA CA C 55.214 0.005 1 54 . 11 ALA CB C 18.067 0.053 1 55 . 11 ALA N N 121.548 0.000 1 56 . 12 ILE H H 8.536 0.009 1 57 . 12 ILE HD1 H 0.972 0.010 1 58 . 12 ILE C C 178.039 0.008 1 59 . 12 ILE CA C 64.320 0.012 1 60 . 12 ILE CB C 36.303 0.057 1 61 . 12 ILE CD1 C 12.636 0.059 1 62 . 12 ILE N N 117.242 0.000 1 63 . 13 SER H H 8.323 0.007 1 64 . 13 SER C C 177.530 0.016 1 65 . 13 SER CA C 61.829 0.017 1 66 . 13 SER CB C 62.701 0.011 1 67 . 13 SER N N 116.097 0.000 1 68 . 14 LEU H H 8.021 0.007 1 69 . 14 LEU HD1 H 0.886 0.008 1 70 . 14 LEU HD2 H 0.957 0.008 1 71 . 14 LEU C C 178.926 0.008 1 72 . 14 LEU CA C 57.671 0.027 1 73 . 14 LEU CB C 41.442 0.018 1 74 . 14 LEU CD1 C 25.701 0.039 1 75 . 14 LEU CD2 C 22.017 0.062 1 76 . 14 LEU N N 123.074 0.000 1 77 . 15 TRP H H 8.540 0.007 1 78 . 15 TRP HE1 H 10.074 0.005 1 79 . 15 TRP C C 178.709 0.019 1 80 . 15 TRP CA C 58.510 0.007 1 81 . 15 TRP CB C 30.019 0.080 1 82 . 15 TRP N N 120.641 0.000 1 83 . 15 TRP NE1 N 125.056 0.000 1 84 . 16 ASN H H 8.941 0.004 1 85 . 16 ASN HD21 H 7.804 0.020 1 86 . 16 ASN HD22 H 6.690 0.006 1 87 . 16 ASN C C 176.316 0.016 1 88 . 16 ASN CA C 56.480 0.006 1 89 . 16 ASN CB C 38.961 0.004 1 90 . 16 ASN N N 116.688 0.000 1 91 . 16 ASN ND2 N 114.011 0.000 1 92 . 17 GLU H H 8.711 0.004 1 93 . 17 GLU C C 180.296 0.006 1 94 . 17 GLU CA C 59.057 0.009 1 95 . 17 GLU CB C 28.431 0.020 1 96 . 17 GLU N N 118.140 0.000 1 97 . 18 GLY H H 8.749 0.007 1 98 . 18 GLY C C 175.361 0.007 1 99 . 18 GLY CA C 47.898 0.008 1 100 . 18 GLY N N 106.480 0.000 1 101 . 19 VAL H H 8.267 0.006 1 102 . 19 VAL HG1 H 1.404 0.009 1 103 . 19 VAL HG2 H 1.397 0.008 1 104 . 19 VAL C C 177.439 0.012 1 105 . 19 VAL CA C 65.893 0.006 1 106 . 19 VAL CB C 30.240 0.028 1 107 . 19 VAL CG1 C 21.931 0.018 1 108 . 19 VAL CG2 C 23.195 0.057 1 109 . 19 VAL N N 118.315 0.000 1 110 . 20 LEU H H 8.227 0.010 1 111 . 20 LEU HD1 H 0.831 0.016 1 112 . 20 LEU HD2 H 0.790 0.016 1 113 . 20 LEU C C 180.663 0.003 1 114 . 20 LEU CA C 57.461 0.023 1 115 . 20 LEU CB C 40.063 0.012 1 116 . 20 LEU CD1 C 22.403 0.033 1 117 . 20 LEU CD2 C 25.405 0.041 1 118 . 20 LEU N N 121.160 0.000 1 119 . 21 ALA H H 7.847 0.011 1 120 . 21 ALA C C 180.349 0.003 1 121 . 21 ALA CA C 54.489 0.003 1 122 . 21 ALA CB C 15.508 0.024 1 123 . 21 ALA N N 121.737 0.000 1 124 . 22 ALA H H 8.251 0.003 1 125 . 22 ALA C C 181.634 0.005 1 126 . 22 ALA CA C 54.790 0.014 1 127 . 22 ALA CB C 17.408 0.016 1 128 . 22 ALA N N 122.764 0.000 1 129 . 23 ASP H H 8.616 0.006 1 130 . 23 ASP C C 177.792 0.002 1 131 . 23 ASP CA C 56.808 0.012 1 132 . 23 ASP CB C 39.348 0.034 1 133 . 23 ASP N N 121.347 0.000 1 134 . 24 LYS H H 7.092 0.005 1 135 . 24 LYS C C 175.680 0.016 1 136 . 24 LYS CA C 55.099 0.034 1 137 . 24 LYS CB C 31.177 0.031 1 138 . 24 LYS N N 117.212 0.000 1 139 . 25 LYS H H 7.807 0.004 1 140 . 25 LYS C C 173.847 0.002 1 141 . 25 LYS CA C 55.726 0.014 1 142 . 25 LYS CB C 27.226 0.013 1 143 . 25 LYS N N 114.716 0.000 1 144 . 26 ASP H H 7.623 0.008 1 145 . 26 ASP C C 175.945 0.000 1 146 . 26 ASP CA C 50.381 0.001 1 147 . 26 ASP CB C 37.831 0.012 1 148 . 26 ASP N N 118.299 0.000 1 149 . 27 TRP H H 6.832 0.004 1 150 . 27 TRP HE1 H 10.229 0.002 1 151 . 27 TRP C C 178.735 0.006 1 152 . 27 TRP CA C 57.145 0.022 1 153 . 27 TRP CB C 29.894 0.038 1 154 . 27 TRP N N 121.961 0.000 1 155 . 27 TRP NE1 N 129.558 0.000 1 156 . 28 LYS H H 8.530 0.006 1 157 . 28 LYS C C 178.053 0.009 1 158 . 28 LYS CA C 58.329 0.010 1 159 . 28 LYS CB C 31.293 0.065 1 160 . 28 LYS N N 116.764 0.000 1 161 . 29 GLY H H 7.993 0.004 1 162 . 29 GLY C C 177.122 0.011 1 163 . 29 GLY CA C 46.596 0.007 1 164 . 29 GLY N N 108.779 0.000 1 165 . 30 ALA H H 8.231 0.005 1 166 . 30 ALA C C 177.754 0.009 1 167 . 30 ALA CA C 54.636 0.001 1 168 . 30 ALA CB C 18.854 0.008 1 169 . 30 ALA N N 125.468 0.000 1 170 . 31 LEU H H 8.249 0.009 1 171 . 31 LEU HD1 H 0.248 0.004 1 172 . 31 LEU HD2 H 0.408 0.016 1 173 . 31 LEU C C 179.628 0.005 1 174 . 31 LEU CA C 57.921 0.002 1 175 . 31 LEU CB C 40.789 0.032 1 176 . 31 LEU CD1 C 23.157 0.038 1 177 . 31 LEU CD2 C 25.972 0.012 1 178 . 31 LEU N N 117.769 0.000 1 179 . 32 ASP H H 8.723 0.009 1 180 . 32 ASP C C 178.619 0.008 1 181 . 32 ASP CA C 57.022 0.003 1 182 . 32 ASP CB C 39.245 0.012 1 183 . 32 ASP N N 121.273 0.000 1 184 . 33 ALA H H 7.310 0.003 1 185 . 33 ALA C C 179.361 0.006 1 186 . 33 ALA CA C 54.719 0.017 1 187 . 33 ALA CB C 16.266 0.049 1 188 . 33 ALA N N 122.754 0.000 1 189 . 34 PHE H H 8.271 0.004 1 190 . 34 PHE C C 179.742 0.016 1 191 . 34 PHE CA C 57.635 0.006 1 192 . 34 PHE CB C 39.257 0.022 1 193 . 34 PHE N N 112.158 0.000 1 194 . 35 SER H H 8.770 0.005 1 195 . 35 SER C C 172.935 0.004 1 196 . 35 SER CA C 60.919 0.007 1 197 . 35 SER CB C 62.925 0.052 1 198 . 35 SER N N 112.214 0.000 1 199 . 36 ALA H H 7.301 0.006 1 200 . 36 ALA C C 177.809 0.003 1 201 . 36 ALA CA C 51.791 0.003 1 202 . 36 ALA CB C 18.472 0.018 1 203 . 36 ALA N N 122.069 0.000 1 204 . 37 VAL H H 7.066 0.005 1 205 . 37 VAL HG1 H 0.807 0.012 1 206 . 37 VAL HG2 H 1.240 0.010 1 207 . 37 VAL C C 176.473 0.013 1 208 . 37 VAL CA C 63.315 0.003 1 209 . 37 VAL CB C 31.225 0.029 1 210 . 37 VAL CG1 C 21.801 0.033 1 211 . 37 VAL CG2 C 23.254 0.019 1 212 . 37 VAL N N 119.119 0.000 1 213 . 38 GLN H H 8.250 0.010 1 214 . 38 GLN HE21 H 7.532 0.000 1 215 . 38 GLN HE22 H 6.908 0.000 1 216 . 38 GLN C C 175.256 0.000 1 217 . 38 GLN CA C 56.285 0.003 1 218 . 38 GLN CB C 28.527 0.013 1 219 . 38 GLN N N 129.512 0.000 1 220 . 38 GLN NE2 N 112.958 0.000 1 221 . 39 ASP H H 8.839 0.002 1 222 . 39 ASP CA C 52.959 0.000 1 223 . 39 ASP CB C 39.607 0.000 1 224 . 39 ASP N N 119.887 0.000 1 225 . 40 PRO C C 176.489 0.014 1 226 . 40 PRO CA C 62.067 0.007 1 227 . 40 PRO CB C 31.274 0.000 1 228 . 41 HIS H H 6.810 0.024 1 229 . 41 HIS C C 177.243 0.014 1 230 . 41 HIS CA C 53.250 0.003 1 231 . 41 HIS CB C 30.431 0.035 1 232 . 41 HIS N N 116.146 0.000 1 233 . 42 SER H H 9.292 0.003 1 234 . 42 SER C C 177.595 0.000 1 235 . 42 SER CA C 62.814 0.008 1 236 . 42 SER N N 115.702 0.000 1 237 . 43 ARG H H 8.409 0.008 1 238 . 43 ARG C C 177.766 0.018 1 239 . 43 ARG CA C 59.179 0.027 1 240 . 43 ARG CB C 28.797 0.044 1 241 . 43 ARG N N 121.714 0.000 1 242 . 44 ILE H H 6.892 0.008 1 243 . 44 ILE HD1 H -0.091 0.005 1 244 . 44 ILE C C 178.093 0.003 1 245 . 44 ILE CA C 63.868 0.002 1 246 . 44 ILE CB C 35.211 0.022 1 247 . 44 ILE CD1 C 10.724 0.065 1 248 . 44 ILE N N 118.856 0.000 1 249 . 45 CYS H H 7.843 0.007 1 250 . 45 CYS C C 175.740 0.006 1 251 . 45 CYS CA C 64.169 0.016 1 252 . 45 CYS CB C 25.636 0.014 1 253 . 45 CYS N N 117.135 0.000 1 254 . 46 PHE H H 8.000 0.010 1 255 . 46 PHE C C 176.678 0.019 1 256 . 46 PHE CA C 60.906 0.006 1 257 . 46 PHE CB C 38.017 0.059 1 258 . 46 PHE N N 119.413 0.000 1 259 . 47 ASN H H 7.779 0.015 1 260 . 47 ASN C C 177.600 0.006 1 261 . 47 ASN CA C 55.313 0.007 1 262 . 47 ASN CB C 35.812 0.041 1 263 . 47 ASN N N 120.993 0.000 1 264 . 48 ILE H H 8.156 0.003 1 265 . 48 ILE HD1 H 0.702 0.012 1 266 . 48 ILE C C 177.511 0.008 1 267 . 48 ILE CA C 66.351 0.008 1 268 . 48 ILE CB C 37.193 0.026 1 269 . 48 ILE CD1 C 13.138 0.082 1 270 . 48 ILE N N 121.097 0.000 1 271 . 49 GLY H H 7.911 0.010 1 272 . 49 GLY C C 177.027 0.013 1 273 . 49 GLY CA C 47.712 0.007 1 274 . 49 GLY N N 107.181 0.000 1 275 . 50 CYS H H 7.989 0.012 1 276 . 50 CYS CA C 63.698 0.000 1 277 . 50 CYS CB C 26.717 0.000 1 278 . 50 CYS N N 121.844 0.000 1 279 . 51 MET C C 178.136 0.000 1 280 . 51 MET CB C 35.030 0.000 1 281 . 52 TYR H H 8.519 0.012 1 282 . 52 TYR C C 177.785 0.005 1 283 . 52 TYR CA C 61.964 0.030 1 284 . 52 TYR CB C 36.819 0.053 1 285 . 52 TYR N N 116.815 0.000 1 286 . 53 THR H H 7.728 0.005 1 287 . 53 THR C C 177.849 0.011 1 288 . 53 THR CA C 67.105 0.037 1 289 . 53 THR CB C 67.896 0.023 1 290 . 53 THR N N 114.238 0.000 1 291 . 54 ILE H H 7.316 0.007 1 292 . 54 ILE HD1 H -0.011 0.007 1 293 . 54 ILE C C 177.531 0.005 1 294 . 54 ILE CA C 63.535 0.009 1 295 . 54 ILE CB C 37.471 0.020 1 296 . 54 ILE CD1 C 13.529 0.091 1 297 . 54 ILE N N 124.664 0.000 1 298 . 55 LEU H H 7.501 0.007 1 299 . 55 LEU HD1 H 1.009 0.008 1 300 . 55 LEU HD2 H 0.710 0.006 1 301 . 55 LEU C C 175.553 0.012 1 302 . 55 LEU CA C 54.849 0.008 1 303 . 55 LEU CB C 40.337 0.007 1 304 . 55 LEU CD1 C 22.415 0.017 1 305 . 55 LEU CD2 C 25.884 0.021 1 306 . 55 LEU N N 118.650 0.000 1 307 . 56 LYS H H 7.729 0.009 1 308 . 56 LYS C C 175.043 0.000 1 309 . 56 LYS CA C 56.997 0.007 1 310 . 56 LYS CB C 27.710 0.022 1 311 . 56 LYS N N 114.240 0.000 1 312 . 57 ASN H H 8.461 0.007 1 313 . 57 ASN HD21 H 7.793 0.000 1 314 . 57 ASN HD22 H 6.776 0.010 1 315 . 57 ASN C C 175.258 0.000 1 316 . 57 ASN CA C 50.493 0.001 1 317 . 57 ASN CB C 36.644 0.010 1 318 . 57 ASN N N 118.902 0.000 1 319 . 57 ASN ND2 N 112.676 0.000 1 320 . 58 MET H H 8.184 0.005 1 321 . 58 MET C C 179.891 0.007 1 322 . 58 MET CA C 56.801 0.004 1 323 . 58 MET CB C 30.192 0.023 1 324 . 58 MET N N 118.892 0.000 1 325 . 59 THR H H 8.291 0.009 1 326 . 59 THR C C 177.152 0.006 1 327 . 59 THR CA C 65.445 0.004 1 328 . 59 THR CB C 67.754 0.016 1 329 . 59 THR N N 116.499 0.000 1 330 . 60 GLU H H 7.184 0.008 1 331 . 60 GLU C C 179.742 0.014 1 332 . 60 GLU CA C 57.374 0.004 1 333 . 60 GLU CB C 24.405 0.007 1 334 . 60 GLU N N 119.456 0.000 1 335 . 61 ALA H H 7.931 0.010 1 336 . 61 ALA C C 177.519 0.014 1 337 . 61 ALA CA C 55.503 0.001 1 338 . 61 ALA CB C 18.179 0.086 1 339 . 61 ALA N N 122.371 0.000 1 340 . 62 GLU H H 7.757 0.010 1 341 . 62 GLU C C 179.055 0.004 1 342 . 62 GLU CA C 60.028 0.005 1 343 . 62 GLU CB C 28.233 0.022 1 344 . 62 GLU N N 118.074 0.000 1 345 . 63 LYS H H 7.584 0.006 1 346 . 63 LYS C C 178.889 0.009 1 347 . 63 LYS CA C 59.281 0.004 1 348 . 63 LYS CB C 31.676 0.015 1 349 . 63 LYS N N 119.114 0.000 1 350 . 64 ALA H H 7.785 0.017 1 351 . 64 ALA C C 180.019 0.023 1 352 . 64 ALA CA C 54.889 0.009 1 353 . 64 ALA CB C 16.639 0.035 1 354 . 64 ALA N N 122.303 0.000 1 355 . 65 PHE H H 8.239 0.008 1 356 . 65 PHE C C 178.349 0.001 1 357 . 65 PHE CA C 60.512 0.019 1 358 . 65 PHE CB C 37.678 0.067 1 359 . 65 PHE N N 115.403 0.000 1 360 . 66 THR H H 8.502 0.005 1 361 . 66 THR C C 175.234 0.000 1 362 . 66 THR CA C 66.804 0.012 1 363 . 66 THR CB C 67.600 0.092 1 364 . 66 THR N N 118.174 0.000 1 365 . 67 ARG H H 8.116 0.009 1 366 . 67 ARG C C 178.408 0.011 1 367 . 67 ARG CA C 59.697 0.004 1 368 . 67 ARG CB C 29.500 0.008 1 369 . 67 ARG N N 122.284 0.000 1 370 . 68 SER H H 7.870 0.006 1 371 . 68 SER CA C 62.538 0.007 1 372 . 68 SER CB C 63.533 0.063 1 373 . 68 SER N N 112.925 0.000 1 374 . 69 ILE H H 7.706 0.006 1 375 . 69 ILE HD1 H 0.228 0.017 1 376 . 69 ILE C C 177.118 0.000 1 377 . 69 ILE CA C 63.567 0.004 1 378 . 69 ILE CB C 38.351 0.032 1 379 . 69 ILE CD1 C 13.149 0.068 1 380 . 69 ILE N N 120.622 0.000 1 381 . 70 ASN H H 8.310 0.005 1 382 . 70 ASN HD21 H 7.482 0.009 1 383 . 70 ASN HD22 H 6.896 0.013 1 384 . 70 ASN C C 178.357 0.022 1 385 . 70 ASN CA C 55.121 0.003 1 386 . 70 ASN CB C 37.748 0.013 1 387 . 70 ASN N N 115.212 0.000 1 388 . 70 ASN ND2 N 111.751 0.000 1 389 . 71 ARG H H 7.741 0.009 1 390 . 71 ARG C C 176.574 0.001 1 391 . 71 ARG CA C 56.489 0.006 1 392 . 71 ARG CB C 29.360 0.010 1 393 . 71 ARG N N 117.305 0.000 1 394 . 72 ASP H H 7.706 0.013 1 395 . 72 ASP C C 174.111 0.000 1 396 . 72 ASP CA C 53.907 0.006 1 397 . 72 ASP CB C 39.925 0.031 1 398 . 72 ASP N N 120.657 0.000 1 399 . 73 LYS H H 8.299 0.012 1 400 . 73 LYS C C 178.072 0.023 1 401 . 73 LYS CA C 57.156 0.010 1 402 . 73 LYS CB C 31.353 0.024 1 403 . 73 LYS N N 122.095 0.000 1 404 . 74 HIS H H 8.213 0.015 1 405 . 74 HIS C C 175.014 0.019 1 406 . 74 HIS CA C 53.277 0.003 1 407 . 74 HIS CB C 28.204 0.018 1 408 . 74 HIS N N 115.051 0.000 1 409 . 75 LEU H H 7.680 0.006 1 410 . 75 LEU HD1 H 0.666 0.009 1 411 . 75 LEU HD2 H 0.997 0.012 1 412 . 75 LEU C C 176.375 0.005 1 413 . 75 LEU CA C 53.917 0.006 1 414 . 75 LEU CB C 38.070 0.014 1 415 . 75 LEU CD1 C 24.752 0.054 1 416 . 75 LEU CD2 C 23.289 0.057 1 417 . 75 LEU N N 122.978 0.000 1 418 . 76 ALA H H 8.303 0.010 1 419 . 76 ALA C C 179.647 0.006 1 420 . 76 ALA CA C 56.245 0.005 1 421 . 76 ALA CB C 18.018 0.020 1 422 . 76 ALA N N 133.380 0.000 1 423 . 77 VAL H H 7.696 0.008 1 424 . 77 VAL HG1 H 0.082 0.005 1 425 . 77 VAL HG2 H 0.820 0.007 1 426 . 77 VAL C C 175.517 0.014 1 427 . 77 VAL CA C 62.508 0.009 1 428 . 77 VAL CB C 31.300 0.021 1 429 . 77 VAL CG1 C 17.655 0.038 1 430 . 77 VAL CG2 C 22.608 0.025 1 431 . 77 VAL N N 112.682 0.000 1 432 . 78 ALA H H 7.875 0.009 1 433 . 78 ALA C C 178.627 0.018 1 434 . 78 ALA CA C 55.572 0.006 1 435 . 78 ALA CB C 17.691 0.005 1 436 . 78 ALA N N 125.591 0.000 1 437 . 79 TYR H H 6.942 0.018 1 438 . 79 TYR CA C 61.680 0.010 1 439 . 79 TYR CB C 37.028 0.016 1 440 . 79 TYR N N 115.229 0.000 1 441 . 80 PHE H H 7.849 0.004 1 442 . 80 PHE C C 175.319 0.000 1 443 . 80 PHE CA C 61.148 0.011 1 444 . 80 PHE CB C 39.475 0.028 1 445 . 80 PHE N N 117.610 0.000 1 446 . 81 GLN H H 8.272 0.016 1 447 . 81 GLN HE21 H 6.824 0.011 1 448 . 81 GLN HE22 H 5.833 0.012 1 449 . 81 GLN C C 178.971 0.006 1 450 . 81 GLN CA C 56.638 0.011 1 451 . 81 GLN CB C 28.333 0.008 1 452 . 81 GLN N N 117.689 0.000 1 453 . 81 GLN NE2 N 108.963 0.000 1 454 . 82 ARG H H 8.052 0.005 1 455 . 82 ARG C C 177.475 0.009 1 456 . 82 ARG CA C 59.827 0.006 1 457 . 82 ARG CB C 28.749 0.105 1 458 . 82 ARG N N 121.174 0.000 1 459 . 83 GLY H H 8.611 0.006 1 460 . 83 GLY C C 175.583 0.002 1 461 . 83 GLY CA C 48.083 0.009 1 462 . 83 GLY N N 107.629 0.000 1 463 . 84 MET H H 7.953 0.011 1 464 . 84 MET C C 180.086 0.011 1 465 . 84 MET CA C 55.010 0.006 1 466 . 84 MET CB C 26.667 0.038 1 467 . 84 MET N N 117.312 0.000 1 468 . 85 LEU H H 7.888 0.008 1 469 . 85 LEU HD1 H 0.759 0.012 1 470 . 85 LEU HD2 H 0.949 0.013 1 471 . 85 LEU C C 179.921 0.035 1 472 . 85 LEU CA C 57.581 0.039 1 473 . 85 LEU CB C 39.467 0.014 1 474 . 85 LEU CD1 C 25.973 0.088 1 475 . 85 LEU CD2 C 25.528 0.037 1 476 . 85 LEU N N 127.679 0.000 1 477 . 86 TYR H H 8.426 0.015 1 478 . 86 TYR C C 179.598 0.016 1 479 . 86 TYR CA C 59.240 0.012 1 480 . 86 TYR CB C 34.994 0.018 1 481 . 86 TYR N N 121.575 0.000 1 482 . 87 TYR H H 8.331 0.011 1 483 . 87 TYR C C 178.016 0.006 1 484 . 87 TYR CA C 60.258 0.006 1 485 . 87 TYR CB C 36.395 0.003 1 486 . 87 TYR N N 121.419 0.000 1 487 . 88 GLN H H 7.838 0.005 1 488 . 88 GLN HE21 H 7.125 0.000 1 489 . 88 GLN HE22 H 6.444 0.015 1 490 . 88 GLN C C 177.154 0.007 1 491 . 88 GLN CA C 58.376 0.004 1 492 . 88 GLN CB C 27.952 0.022 1 493 . 88 GLN N N 121.622 0.000 1 494 . 88 GLN NE2 N 109.850 0.000 1 495 . 89 THR H H 7.629 0.013 1 496 . 89 THR C C 172.842 0.013 1 497 . 89 THR CA C 60.239 0.006 1 498 . 89 THR CB C 68.224 0.061 1 499 . 89 THR N N 107.082 0.000 1 500 . 90 GLU H H 7.627 0.014 1 501 . 90 GLU C C 174.861 0.008 1 502 . 90 GLU CA C 57.010 0.005 1 503 . 90 GLU CB C 25.224 0.026 1 504 . 90 GLU N N 113.808 0.000 1 505 . 91 LYS H H 8.219 0.002 1 506 . 91 LYS C C 177.292 0.003 1 507 . 91 LYS CA C 53.072 0.008 1 508 . 91 LYS CB C 29.440 0.010 1 509 . 91 LYS N N 121.508 0.000 1 510 . 92 TYR H H 6.713 0.014 1 511 . 92 TYR C C 177.383 0.010 1 512 . 92 TYR CA C 60.483 0.005 1 513 . 92 TYR CB C 36.883 0.022 1 514 . 92 TYR N N 118.322 0.000 1 515 . 93 ASP H H 8.373 0.003 1 516 . 93 ASP C C 179.727 0.016 1 517 . 93 ASP CA C 57.427 0.000 1 518 . 93 ASP CB C 39.003 0.003 1 519 . 93 ASP N N 116.926 0.000 1 520 . 94 LEU H H 7.352 0.006 1 521 . 94 LEU HD1 H 0.304 0.011 1 522 . 94 LEU HD2 H 0.496 0.006 1 523 . 94 LEU C C 179.449 0.028 1 524 . 94 LEU CA C 56.991 0.038 1 525 . 94 LEU CB C 38.561 0.086 1 526 . 94 LEU CD1 C 24.990 0.057 1 527 . 94 LEU CD2 C 21.656 0.060 1 528 . 94 LEU N N 121.749 0.000 1 529 . 95 ALA H H 8.030 0.009 1 530 . 95 ALA C C 179.321 0.012 1 531 . 95 ALA CA C 55.580 0.008 1 532 . 95 ALA CB C 18.236 0.023 1 533 . 95 ALA N N 122.259 0.000 1 534 . 96 ILE H H 8.123 0.018 1 535 . 96 ILE HD1 H 0.002 0.013 1 536 . 96 ILE C C 176.770 0.003 1 537 . 96 ILE CA C 66.515 0.006 1 538 . 96 ILE CB C 37.560 0.019 1 539 . 96 ILE CD1 C 12.390 0.067 1 540 . 96 ILE N N 117.113 0.000 1 541 . 97 LYS H H 7.557 0.007 1 542 . 97 LYS C C 179.615 0.045 1 543 . 97 LYS CA C 59.760 0.007 1 544 . 97 LYS CB C 31.649 0.008 1 545 . 97 LYS N N 118.517 0.000 1 546 . 98 ASP H H 7.748 0.006 1 547 . 98 ASP C C 179.224 0.007 1 548 . 98 ASP CA C 57.134 0.023 1 549 . 98 ASP CB C 39.256 0.059 1 550 . 98 ASP N N 120.379 0.000 1 551 . 99 LEU H H 8.687 0.004 1 552 . 99 LEU HD1 H 0.714 0.009 1 553 . 99 LEU HD2 H 0.856 0.006 1 554 . 99 LEU C C 179.068 0.000 1 555 . 99 LEU CA C 57.920 0.061 1 556 . 99 LEU CB C 41.533 0.064 1 557 . 99 LEU CD1 C 26.569 0.053 1 558 . 99 LEU CD2 C 24.652 0.042 1 559 . 99 LEU N N 120.810 0.000 1 560 . 100 LYS H H 8.829 0.005 1 561 . 100 LYS C C 179.624 0.008 1 562 . 100 LYS CA C 60.039 0.013 1 563 . 100 LYS CB C 31.566 0.076 1 564 . 100 LYS N N 117.815 0.000 1 565 . 101 GLU H H 7.678 0.007 1 566 . 101 GLU C C 178.424 0.028 1 567 . 101 GLU CA C 57.858 0.040 1 568 . 101 GLU CB C 28.049 0.003 1 569 . 101 GLU N N 121.594 0.000 1 570 . 102 ALA H H 8.660 0.004 1 571 . 102 ALA CA C 55.533 0.000 1 572 . 102 ALA CB C 16.791 0.000 1 573 . 102 ALA N N 122.260 0.000 1 574 . 103 LEU HD1 H 0.956 0.014 1 575 . 103 LEU HD2 H 0.992 0.005 1 576 . 103 LEU C C 180.813 0.000 1 577 . 103 LEU CA C 57.434 0.004 1 578 . 103 LEU CB C 41.167 0.034 1 579 . 103 LEU CD1 C 25.922 0.012 1 580 . 103 LEU CD2 C 24.372 0.022 1 581 . 104 ILE H H 8.014 0.009 1 582 . 104 ILE HD1 H 0.814 0.004 1 583 . 104 ILE C C 180.701 0.012 1 584 . 104 ILE CA C 64.236 0.010 1 585 . 104 ILE CB C 36.273 0.021 1 586 . 104 ILE CD1 C 12.008 0.088 1 587 . 104 ILE N N 122.678 0.000 1 588 . 105 GLN H H 8.507 0.009 1 589 . 105 GLN C C 176.859 0.007 1 590 . 105 GLN CA C 56.048 0.005 1 591 . 105 GLN CB C 25.557 0.007 1 592 . 105 GLN N N 117.428 0.000 1 593 . 106 LEU H H 7.743 0.005 1 594 . 106 LEU HD1 H 0.816 0.011 1 595 . 106 LEU HD2 H 0.725 0.011 1 596 . 106 LEU C C 178.716 0.001 1 597 . 106 LEU CA C 56.929 0.016 1 598 . 106 LEU CB C 40.131 0.010 1 599 . 106 LEU CD1 C 25.599 0.031 1 600 . 106 LEU CD2 C 23.576 0.027 1 601 . 106 LEU N N 120.868 0.000 1 602 . 107 ARG H H 8.345 0.006 1 603 . 107 ARG C C 176.022 0.003 1 604 . 107 ARG CA C 56.275 0.006 1 605 . 107 ARG CB C 26.854 0.019 1 606 . 107 ARG N N 116.125 0.000 1 607 . 108 GLY H H 8.833 0.002 1 608 . 108 GLY C C 174.773 0.001 1 609 . 108 GLY CA C 44.881 0.007 1 610 . 108 GLY N N 105.875 0.000 1 611 . 109 ASN H H 7.771 0.009 1 612 . 109 ASN HD21 H 7.374 0.018 1 613 . 109 ASN HD22 H 7.121 0.000 1 614 . 109 ASN C C 175.398 0.005 1 615 . 109 ASN CA C 53.008 0.003 1 616 . 109 ASN CB C 39.113 0.016 1 617 . 109 ASN N N 118.268 0.000 1 618 . 109 ASN ND2 N 114.439 0.000 1 619 . 110 GLN H H 8.956 0.003 1 620 . 110 GLN HE21 H 7.585 0.000 1 621 . 110 GLN HE22 H 6.966 0.000 1 622 . 110 GLN C C 176.480 0.002 1 623 . 110 GLN CA C 57.708 0.004 1 624 . 110 GLN CB C 28.366 0.011 1 625 . 110 GLN N N 119.258 0.000 1 626 . 110 GLN NE2 N 111.845 0.000 1 627 . 111 LEU H H 7.704 0.009 1 628 . 111 LEU HD1 H 0.749 0.003 1 629 . 111 LEU HD2 H 0.071 0.004 1 630 . 111 LEU C C 175.117 0.006 1 631 . 111 LEU CA C 54.162 0.009 1 632 . 111 LEU CB C 43.034 0.029 1 633 . 111 LEU CD1 C 25.776 0.051 1 634 . 111 LEU CD2 C 25.077 0.028 1 635 . 111 LEU N N 117.883 0.000 1 636 . 112 ILE H H 8.042 0.007 1 637 . 112 ILE HD1 H 0.889 0.012 1 638 . 112 ILE C C 173.398 0.017 1 639 . 112 ILE CA C 61.534 0.004 1 640 . 112 ILE CB C 40.363 0.003 1 641 . 112 ILE CD1 C 13.762 0.077 1 642 . 112 ILE N N 119.031 0.000 1 643 . 113 ASP H H 8.511 0.005 1 644 . 113 ASP C C 177.439 0.000 1 645 . 113 ASP CA C 51.868 0.010 1 646 . 113 ASP CB C 40.425 0.049 1 647 . 113 ASP N N 125.932 0.000 1 648 . 114 TYR H H 8.532 0.016 1 649 . 114 TYR C C 177.888 0.006 1 650 . 114 TYR CA C 61.927 0.007 1 651 . 114 TYR CB C 38.881 0.034 1 652 . 114 TYR N N 123.990 0.000 1 653 . 115 LYS H H 8.567 0.011 1 654 . 115 LYS C C 180.757 0.021 1 655 . 115 LYS CA C 60.722 0.004 1 656 . 115 LYS CB C 30.708 0.029 1 657 . 115 LYS N N 125.221 0.000 1 658 . 116 ILE H H 8.143 0.018 1 659 . 116 ILE HD1 H 0.916 0.018 1 660 . 116 ILE C C 176.730 0.004 1 661 . 116 ILE CA C 62.820 0.011 1 662 . 116 ILE CB C 36.924 0.042 1 663 . 116 ILE CD1 C 13.320 0.084 1 664 . 116 ILE N N 117.800 0.000 1 665 . 117 LEU H H 7.829 0.011 1 666 . 117 LEU HD1 H 1.114 0.009 1 667 . 117 LEU HD2 H 0.993 0.008 1 668 . 117 LEU C C 176.951 0.006 1 669 . 117 LEU CA C 54.463 0.005 1 670 . 117 LEU CB C 43.392 0.033 1 671 . 117 LEU CD1 C 25.479 0.007 1 672 . 117 LEU CD2 C 22.994 0.050 1 673 . 117 LEU N N 120.836 0.000 1 674 . 118 GLY H H 8.074 0.014 1 675 . 118 GLY C C 174.038 0.002 1 676 . 118 GLY CA C 45.489 0.004 1 677 . 118 GLY N N 106.178 0.000 1 678 . 119 LEU H H 7.720 0.008 1 679 . 119 LEU HD1 H -0.236 0.005 1 680 . 119 LEU HD2 H 0.132 0.011 1 681 . 119 LEU C C 174.610 0.003 1 682 . 119 LEU CA C 52.756 0.002 1 683 . 119 LEU CB C 43.821 0.008 1 684 . 119 LEU CD1 C 25.692 0.002 1 685 . 119 LEU CD2 C 22.297 0.026 1 686 . 119 LEU N N 125.618 0.000 1 687 . 120 GLN H H 8.810 0.011 1 688 . 120 GLN HE21 H 7.653 0.000 1 689 . 120 GLN HE22 H 6.886 0.000 1 690 . 120 GLN C C 173.527 0.019 1 691 . 120 GLN CA C 54.175 0.003 1 692 . 120 GLN CB C 25.541 0.019 1 693 . 120 GLN N N 127.773 0.000 1 694 . 120 GLN NE2 N 112.686 0.000 1 695 . 121 PHE H H 8.191 0.010 1 696 . 121 PHE C C 172.314 0.002 1 697 . 121 PHE CA C 58.164 0.001 1 698 . 121 PHE CB C 42.057 0.014 1 699 . 121 PHE N N 124.095 0.000 1 700 . 122 LYS H H 7.202 0.005 1 701 . 122 LYS C C 172.419 0.018 1 702 . 122 LYS CA C 54.420 0.005 1 703 . 122 LYS CB C 33.424 0.006 1 704 . 122 LYS N N 126.413 0.000 1 705 . 123 LEU H H 8.413 0.008 1 706 . 123 LEU HD1 H 0.833 0.009 1 707 . 123 LEU HD2 H 0.475 0.009 1 708 . 123 LEU C C 173.985 0.015 1 709 . 123 LEU CA C 51.899 0.018 1 710 . 123 LEU CB C 43.158 0.014 1 711 . 123 LEU CD1 C 27.510 0.025 1 712 . 123 LEU CD2 C 23.333 0.026 1 713 . 123 LEU N N 124.707 0.000 1 714 . 124 PHE H H 9.543 0.010 1 715 . 124 PHE C C 177.496 0.005 1 716 . 124 PHE CA C 56.585 0.005 1 717 . 124 PHE CB C 40.349 0.004 1 718 . 124 PHE N N 124.767 0.000 1 719 . 125 ALA H H 8.638 0.004 1 720 . 125 ALA C C 179.690 0.006 1 721 . 125 ALA CA C 55.605 0.005 1 722 . 125 ALA CB C 17.822 0.031 1 723 . 125 ALA N N 127.283 0.000 1 724 . 126 CYS H H 9.463 0.004 1 725 . 126 CYS C C 175.448 0.028 1 726 . 126 CYS CA C 59.681 0.027 1 727 . 126 CYS CB C 25.725 0.058 1 728 . 126 CYS N N 111.781 0.000 1 729 . 127 GLU H H 6.899 0.006 1 730 . 127 GLU C C 177.891 0.000 1 731 . 127 GLU CA C 58.880 0.016 1 732 . 127 GLU CB C 27.850 0.009 1 733 . 127 GLU N N 121.529 0.000 1 734 . 128 VAL H H 8.185 0.002 1 735 . 128 VAL HG1 H 1.117 0.013 1 736 . 128 VAL HG2 H 1.221 0.017 1 737 . 128 VAL C C 179.028 0.000 1 738 . 128 VAL CA C 67.992 0.016 1 739 . 128 VAL CB C 30.144 0.000 1 740 . 128 VAL CG1 C 23.395 0.018 1 741 . 128 VAL CG2 C 24.581 0.033 1 742 . 128 VAL N N 121.681 0.000 1 743 . 129 LEU H H 8.156 0.016 1 744 . 129 LEU HD1 H 0.847 0.018 1 745 . 129 LEU HD2 H 1.098 0.015 1 746 . 129 LEU C C 178.099 0.000 1 747 . 129 LEU CA C 58.468 0.068 1 748 . 129 LEU CB C 42.379 0.050 1 749 . 129 LEU CD1 C 26.186 0.025 1 750 . 129 LEU CD2 C 24.354 0.044 1 751 . 129 LEU N N 119.052 0.000 1 752 . 130 TYR H H 7.806 0.008 1 753 . 130 TYR C C 177.788 0.000 1 754 . 130 TYR CA C 60.744 0.023 1 755 . 130 TYR CB C 38.251 0.112 1 756 . 130 TYR N N 120.289 0.000 1 757 . 131 ASN H H 8.331 0.007 1 758 . 131 ASN C C 177.787 0.000 1 759 . 131 ASN CA C 54.977 0.025 1 760 . 131 ASN CB C 36.982 0.028 1 761 . 131 ASN N N 122.953 0.000 1 762 . 132 ILE H H 9.033 0.006 1 763 . 132 ILE HD1 H 0.840 0.006 1 764 . 132 ILE C C 177.762 0.022 1 765 . 132 ILE CA C 66.900 0.008 1 766 . 132 ILE CB C 37.272 0.088 1 767 . 132 ILE CD1 C 13.766 0.089 1 768 . 132 ILE N N 124.830 0.000 1 769 . 133 ALA H H 8.790 0.004 1 770 . 133 ALA C C 177.818 0.013 1 771 . 133 ALA CA C 55.051 0.042 1 772 . 133 ALA CB C 18.948 0.093 1 773 . 133 ALA N N 119.540 0.000 1 774 . 134 PHE H H 7.375 0.002 1 775 . 134 PHE C C 175.822 0.001 1 776 . 134 PHE CA C 60.425 0.044 1 777 . 134 PHE CB C 37.300 0.023 1 778 . 134 PHE N N 119.531 0.000 1 779 . 135 MET H H 7.660 0.027 1 780 . 135 MET C C 179.267 0.013 1 781 . 135 MET CA C 56.091 0.013 1 782 . 135 MET CB C 30.270 0.027 1 783 . 135 MET N N 116.778 0.000 1 784 . 136 TYR H H 7.656 0.010 1 785 . 136 TYR C C 178.309 0.018 1 786 . 136 TYR CA C 62.340 0.018 1 787 . 136 TYR CB C 35.922 0.025 1 788 . 136 TYR N N 115.779 0.000 1 789 . 137 ALA H H 8.322 0.015 1 790 . 137 ALA C C 180.751 0.013 1 791 . 137 ALA CA C 54.613 0.017 1 792 . 137 ALA CB C 16.627 0.029 1 793 . 137 ALA N N 124.481 0.000 1 794 . 138 LYS H H 7.862 0.005 1 795 . 138 LYS C C 178.201 0.003 1 796 . 138 LYS CA C 55.948 0.002 1 797 . 138 LYS CB C 28.106 0.034 1 798 . 138 LYS N N 120.211 0.000 1 799 . 139 LYS H H 6.885 0.006 1 800 . 139 LYS C C 174.760 0.009 1 801 . 139 LYS CA C 56.048 0.016 1 802 . 139 LYS CB C 30.950 0.027 1 803 . 139 LYS N N 116.830 0.000 1 804 . 140 GLU H H 7.524 0.004 1 805 . 140 GLU C C 175.218 0.008 1 806 . 140 GLU CA C 57.045 0.001 1 807 . 140 GLU CB C 25.591 0.031 1 808 . 140 GLU N N 113.445 0.000 1 809 . 141 GLU H H 8.015 0.004 1 810 . 141 GLU C C 177.097 0.010 1 811 . 141 GLU CA C 53.555 0.011 1 812 . 141 GLU CB C 26.658 0.017 1 813 . 141 GLU N N 121.226 0.000 1 814 . 142 TRP H H 6.869 0.002 1 815 . 142 TRP HE1 H 10.644 0.004 1 816 . 142 TRP C C 178.766 0.010 1 817 . 142 TRP CA C 59.555 0.006 1 818 . 142 TRP CB C 29.138 0.003 1 819 . 142 TRP N N 119.936 0.000 1 820 . 142 TRP NE1 N 129.568 0.000 1 821 . 143 LYS H H 8.518 0.010 1 822 . 143 LYS C C 179.460 0.009 1 823 . 143 LYS CA C 58.317 0.004 1 824 . 143 LYS CB C 30.185 0.001 1 825 . 143 LYS N N 119.406 0.000 1 826 . 144 LYS H H 7.417 0.003 1 827 . 144 LYS C C 179.553 0.016 1 828 . 144 LYS CA C 58.225 0.018 1 829 . 144 LYS CB C 30.061 0.031 1 830 . 144 LYS N N 119.677 0.000 1 831 . 145 ALA H H 7.874 0.009 1 832 . 145 ALA C C 178.941 0.001 1 833 . 145 ALA CA C 55.416 0.015 1 834 . 145 ALA CB C 17.811 0.020 1 835 . 145 ALA N N 120.762 0.000 1 836 . 146 GLU H H 8.282 0.013 1 837 . 146 GLU C C 178.103 0.011 1 838 . 146 GLU CA C 59.642 0.012 1 839 . 146 GLU CB C 28.920 0.025 1 840 . 146 GLU N N 118.443 0.000 1 841 . 147 GLU H H 7.922 0.008 1 842 . 147 GLU C C 180.098 0.007 1 843 . 147 GLU CA C 58.845 0.021 1 844 . 147 GLU CB C 29.151 0.031 1 845 . 147 GLU N N 117.855 0.000 1 846 . 148 GLN H H 7.780 0.008 1 847 . 148 GLN HE21 H 7.279 0.000 1 848 . 148 GLN HE22 H 6.500 0.005 1 849 . 148 GLN C C 178.896 0.002 1 850 . 148 GLN CA C 57.254 0.010 1 851 . 148 GLN CB C 27.680 0.029 1 852 . 148 GLN N N 116.357 0.000 1 853 . 148 GLN NE2 N 111.120 0.000 1 854 . 149 LEU H H 8.232 0.008 1 855 . 149 LEU HD1 H 0.723 0.013 1 856 . 149 LEU HD2 H 0.895 0.017 1 857 . 149 LEU C C 179.391 0.000 1 858 . 149 LEU CA C 57.059 0.026 1 859 . 149 LEU CB C 41.064 0.064 1 860 . 149 LEU CD1 C 25.929 0.054 1 861 . 149 LEU CD2 C 23.407 0.046 1 862 . 149 LEU N N 119.178 0.000 1 863 . 150 ALA H H 8.774 0.006 1 864 . 150 ALA C C 181.224 0.005 1 865 . 150 ALA CA C 54.790 0.010 1 866 . 150 ALA CB C 16.692 0.040 1 867 . 150 ALA N N 124.610 0.000 1 868 . 151 LEU H H 7.307 0.012 1 869 . 151 LEU HD1 H 0.929 0.014 1 870 . 151 LEU HD2 H 0.894 0.010 1 871 . 151 LEU C C 179.962 0.004 1 872 . 151 LEU CA C 57.090 0.022 1 873 . 151 LEU CB C 40.808 0.078 1 874 . 151 LEU CD1 C 24.332 0.032 1 875 . 151 LEU CD2 C 23.394 0.041 1 876 . 151 LEU N N 119.226 0.000 1 877 . 152 ALA H H 8.237 0.009 1 878 . 152 ALA C C 179.701 0.013 1 879 . 152 ALA CA C 54.801 0.006 1 880 . 152 ALA CB C 17.769 0.045 1 881 . 152 ALA N N 122.445 0.000 1 882 . 153 THR H H 8.406 0.006 1 883 . 153 THR C C 176.094 0.016 1 884 . 153 THR CA C 65.676 0.006 1 885 . 153 THR CB C 68.553 0.048 1 886 . 153 THR N N 111.342 0.000 1 887 . 154 SER H H 7.402 0.010 1 888 . 154 SER C C 174.286 0.006 1 889 . 154 SER CA C 59.826 0.011 1 890 . 154 SER CB C 63.552 0.008 1 891 . 154 SER N N 116.070 0.000 1 892 . 155 MET H H 7.536 0.002 1 893 . 155 MET C C 175.385 0.022 1 894 . 155 MET CA C 54.788 0.003 1 895 . 155 MET CB C 33.907 0.004 1 896 . 155 MET N N 119.111 0.000 1 897 . 156 LYS H H 7.238 0.007 1 898 . 156 LYS C C 176.957 0.000 1 899 . 156 LYS CA C 57.884 0.000 1 900 . 156 LYS CB C 32.244 0.000 1 901 . 156 LYS N N 120.102 0.000 1 902 . 159 PRO C C 178.763 0.000 1 903 . 159 PRO CA C 65.767 0.000 1 904 . 159 PRO CB C 30.949 0.000 1 905 . 160 ARG H H 8.297 0.008 1 906 . 160 ARG C C 177.447 0.039 1 907 . 160 ARG CA C 56.883 0.005 1 908 . 160 ARG CB C 28.734 0.073 1 909 . 160 ARG N N 114.424 0.000 1 910 . 161 HIS H H 8.136 0.009 1 911 . 161 HIS C C 176.061 0.002 1 912 . 161 HIS CA C 55.638 0.063 1 913 . 161 HIS CB C 30.008 0.008 1 914 . 161 HIS N N 119.880 0.000 1 915 . 162 SER H H 8.314 0.004 1 916 . 162 SER C C 176.149 0.051 1 917 . 162 SER CA C 61.083 0.016 1 918 . 162 SER CB C 62.157 0.029 1 919 . 162 SER N N 118.734 0.000 1 920 . 163 LYS H H 7.528 0.009 1 921 . 163 LYS C C 178.338 0.001 1 922 . 163 LYS CA C 58.354 0.097 1 923 . 163 LYS CB C 29.931 0.011 1 924 . 163 LYS N N 119.717 0.000 1 925 . 164 ILE H H 8.090 0.007 1 926 . 164 ILE HD1 H 0.715 0.010 1 927 . 164 ILE C C 176.260 0.010 1 928 . 164 ILE CA C 65.030 0.006 1 929 . 164 ILE CB C 36.733 0.009 1 930 . 164 ILE CD1 C 13.614 0.112 1 931 . 164 ILE N N 123.134 0.000 1 932 . 165 ASP H H 7.271 0.008 1 933 . 165 ASP C C 179.095 0.001 1 934 . 165 ASP CA C 56.606 0.020 1 935 . 165 ASP CB C 39.325 0.009 1 936 . 165 ASP N N 118.803 0.000 1 937 . 166 LYS H H 7.149 0.009 1 938 . 166 LYS C C 178.867 0.010 1 939 . 166 LYS CA C 57.642 0.005 1 940 . 166 LYS CB C 30.716 0.013 1 941 . 166 LYS N N 118.573 0.000 1 942 . 167 ALA H H 7.965 0.005 1 943 . 167 ALA C C 178.815 0.010 1 944 . 167 ALA CA C 54.888 0.010 1 945 . 167 ALA CB C 16.654 0.040 1 946 . 167 ALA N N 123.078 0.000 1 947 . 168 MET H H 7.762 0.015 1 948 . 168 MET C C 176.459 0.002 1 949 . 168 MET CA C 57.994 0.019 1 950 . 168 MET CB C 31.289 0.032 1 951 . 168 MET N N 118.339 0.000 1 952 . 169 GLU H H 7.000 0.006 1 953 . 169 GLU C C 179.846 0.015 1 954 . 169 GLU CA C 58.644 0.023 1 955 . 169 GLU CB C 28.389 0.032 1 956 . 169 GLU N N 115.806 0.000 1 957 . 170 CYS H H 7.645 0.004 1 958 . 170 CYS C C 177.505 0.008 1 959 . 170 CYS CA C 64.351 0.001 1 960 . 170 CYS CB C 25.090 0.081 1 961 . 170 CYS N N 116.504 0.000 1 962 . 171 VAL H H 8.613 0.008 1 963 . 171 VAL HG1 H 1.278 0.009 1 964 . 171 VAL HG2 H 1.258 0.013 1 965 . 171 VAL C C 180.371 0.004 1 966 . 171 VAL CA C 66.248 0.008 1 967 . 171 VAL CB C 30.688 0.042 1 968 . 171 VAL CG1 C 24.095 0.043 1 969 . 171 VAL CG2 C 22.563 0.018 1 970 . 171 VAL N N 121.735 0.000 1 971 . 172 TRP H H 8.380 0.006 1 972 . 172 TRP HE1 H 9.988 0.002 1 973 . 172 TRP C C 177.547 0.016 1 974 . 172 TRP CA C 58.327 0.003 1 975 . 172 TRP CB C 28.412 0.120 1 976 . 172 TRP N N 122.126 0.000 1 977 . 172 TRP NE1 N 128.558 0.000 1 978 . 173 LYS H H 7.418 0.005 1 979 . 173 LYS C C 174.630 0.012 1 980 . 173 LYS CA C 54.798 0.008 1 981 . 173 LYS CB C 32.021 0.046 1 982 . 173 LYS N N 117.052 0.000 1 983 . 174 GLN H H 7.658 0.006 1 984 . 174 GLN HE21 H 6.936 0.026 1 985 . 174 GLN HE22 H 6.570 0.000 1 986 . 174 GLN C C 173.951 0.008 1 987 . 174 GLN CA C 56.068 0.003 1 988 . 174 GLN CB C 23.913 0.004 1 989 . 174 GLN N N 115.863 0.000 1 990 . 174 GLN NE2 N 110.494 0.000 1 991 . 175 LYS H H 7.951 0.002 1 992 . 175 LYS C C 174.388 0.005 1 993 . 175 LYS CA C 53.506 0.006 1 994 . 175 LYS CB C 34.502 0.012 1 995 . 175 LYS N N 119.306 0.000 1 996 . 176 LEU H H 8.004 0.006 1 997 . 176 LEU HD1 H 0.883 0.006 1 998 . 176 LEU HD2 H 0.494 0.006 1 999 . 176 LEU C C 175.227 0.011 1 1000 . 176 LEU CA C 53.601 0.030 1 1001 . 176 LEU CB C 42.441 0.040 1 1002 . 176 LEU CD1 C 25.678 0.010 1 1003 . 176 LEU CD2 C 23.009 0.032 1 1004 . 176 LEU N N 116.536 0.000 1 1005 . 177 TYR H H 6.125 0.009 1 1006 . 177 TYR C C 173.311 0.008 1 1007 . 177 TYR CA C 54.020 0.028 1 1008 . 177 TYR CB C 38.302 0.043 1 1009 . 177 TYR N N 114.047 0.000 1 1010 . 178 GLU H H 8.580 0.008 1 1011 . 178 GLU C C 174.286 0.000 1 1012 . 178 GLU CA C 53.359 0.000 1 1013 . 178 GLU CB C 29.738 0.000 1 1014 . 178 GLU N N 119.190 0.000 1 1015 . 179 PRO C C 176.040 0.000 1 1016 . 179 PRO CA C 62.345 0.007 1 1017 . 179 PRO CB C 30.540 0.014 1 1018 . 180 VAL H H 9.664 0.009 1 1019 . 180 VAL HG1 H 1.163 0.015 1 1020 . 180 VAL HG2 H 1.039 0.007 1 1021 . 180 VAL C C 175.928 0.061 1 1022 . 180 VAL CA C 63.549 0.004 1 1023 . 180 VAL CB C 31.696 0.013 1 1024 . 180 VAL CG1 C 20.471 0.021 1 1025 . 180 VAL CG2 C 22.149 0.023 1 1026 . 180 VAL N N 122.782 0.000 1 1027 . 181 VAL H H 7.855 0.006 1 1028 . 181 VAL HG1 H 0.674 0.008 1 1029 . 181 VAL HG2 H 0.776 0.010 1 1030 . 181 VAL C C 176.053 0.014 1 1031 . 181 VAL CA C 57.967 0.010 1 1032 . 181 VAL CB C 34.659 0.008 1 1033 . 181 VAL CG1 C 18.218 0.012 1 1034 . 181 VAL CG2 C 21.817 0.048 1 1035 . 181 VAL N N 117.637 0.000 1 1036 . 182 ILE H H 9.593 0.008 1 1037 . 182 ILE HD1 H 0.262 0.015 1 1038 . 182 ILE C C 175.268 0.000 1 1039 . 182 ILE CA C 59.801 0.000 1 1040 . 182 ILE CB C 36.386 0.000 1 1041 . 182 ILE CD1 C 13.328 0.024 1 1042 . 182 ILE N N 125.416 0.000 1 1043 . 183 PRO C C 176.755 0.006 1 1044 . 183 PRO CA C 62.971 0.008 1 1045 . 183 PRO CB C 31.498 0.000 1 1046 . 184 VAL H H 8.261 0.004 1 1047 . 184 VAL HG1 H 0.955 0.003 1 1048 . 184 VAL HG2 H 0.786 0.010 1 1049 . 184 VAL C C 177.542 0.010 1 1050 . 184 VAL CA C 63.742 0.022 1 1051 . 184 VAL CB C 30.917 0.090 1 1052 . 184 VAL CG1 C 21.588 0.010 1 1053 . 184 VAL CG2 C 21.079 0.011 1 1054 . 184 VAL N N 123.299 0.000 1 1055 . 185 GLY H H 9.427 0.004 1 1056 . 185 GLY C C 173.853 0.005 1 1057 . 185 GLY CA C 44.588 0.010 1 1058 . 185 GLY N N 113.929 0.000 1 1059 . 186 LYS H H 7.434 0.006 1 1060 . 186 LYS C C 173.094 0.015 1 1061 . 186 LYS CA C 55.498 0.005 1 1062 . 186 LYS CB C 29.920 0.013 1 1063 . 186 LYS N N 121.087 0.000 1 1064 . 187 LEU H H 7.826 0.008 1 1065 . 187 LEU HD1 H 1.130 0.008 1 1066 . 187 LEU HD2 H 1.027 0.010 1 1067 . 187 LEU C C 177.256 0.001 1 1068 . 187 LEU CA C 52.026 0.006 1 1069 . 187 LEU CB C 44.598 0.027 1 1070 . 187 LEU CD1 C 26.991 0.024 1 1071 . 187 LEU CD2 C 23.121 0.030 1 1072 . 187 LEU N N 122.835 0.000 1 1073 . 188 PHE H H 8.850 0.009 1 1074 . 188 PHE C C 177.434 0.048 1 1075 . 188 PHE CA C 59.935 0.004 1 1076 . 188 PHE CB C 39.504 0.006 1 1077 . 188 PHE N N 115.559 0.000 1 1078 . 189 ARG H H 9.573 0.006 1 1079 . 189 ARG C C 173.116 0.000 1 1080 . 189 ARG CA C 53.463 0.000 1 1081 . 189 ARG CB C 30.528 0.000 1 1082 . 189 ARG N N 128.151 0.000 1 1083 . 190 PRO C C 175.347 0.011 1 1084 . 190 PRO CA C 61.448 0.006 1 1085 . 190 PRO CB C 29.878 0.052 1 1086 . 191 ASN H H 8.472 0.003 1 1087 . 191 ASN HD21 H 7.709 0.018 1 1088 . 191 ASN HD22 H 7.003 0.002 1 1089 . 191 ASN C C 175.821 0.002 1 1090 . 191 ASN CA C 52.609 0.003 1 1091 . 191 ASN CB C 38.821 0.017 1 1092 . 191 ASN N N 119.788 0.000 1 1093 . 191 ASN ND2 N 113.459 0.000 1 1094 . 192 GLU H H 8.871 0.008 1 1095 . 192 GLU C C 178.571 0.014 1 1096 . 192 GLU CA C 59.083 0.001 1 1097 . 192 GLU CB C 28.676 0.004 1 1098 . 192 GLU N N 121.532 0.000 1 1099 . 193 ARG H H 8.187 0.014 1 1100 . 193 ARG C C 178.656 0.025 1 1101 . 193 ARG CA C 58.076 0.005 1 1102 . 193 ARG CB C 28.724 0.042 1 1103 . 193 ARG N N 120.262 0.000 1 1104 . 194 GLN H H 8.017 0.009 1 1105 . 194 GLN HE21 H 7.671 0.015 1 1106 . 194 GLN HE22 H 6.833 0.005 1 1107 . 194 GLN C C 178.186 0.004 1 1108 . 194 GLN CA C 57.919 0.027 1 1109 . 194 GLN CB C 28.011 0.023 1 1110 . 194 GLN N N 119.433 0.000 1 1111 . 194 GLN NE2 N 111.986 0.000 1 1112 . 195 VAL H H 8.050 0.005 1 1113 . 195 VAL HG1 H 0.840 0.019 1 1114 . 195 VAL HG2 H 0.774 0.006 1 1115 . 195 VAL C C 178.305 0.022 1 1116 . 195 VAL CA C 64.993 0.002 1 1117 . 195 VAL CB C 30.973 0.014 1 1118 . 195 VAL CG1 C 21.251 0.022 1 1119 . 195 VAL CG2 C 22.175 0.036 1 1120 . 195 VAL N N 118.016 0.000 1 1121 . 196 ALA H H 7.962 0.012 1 1122 . 196 ALA C C 179.550 0.007 1 1123 . 196 ALA CA C 53.922 0.009 1 1124 . 196 ALA CB C 17.522 0.038 1 1125 . 196 ALA N N 122.744 0.000 1 1126 . 197 GLN H H 7.714 0.012 1 1127 . 197 GLN HE21 H 7.426 0.005 1 1128 . 197 GLN HE22 H 6.817 0.000 1 1129 . 197 GLN C C 177.238 0.002 1 1130 . 197 GLN CA C 56.765 0.000 1 1131 . 197 GLN CB C 28.181 0.035 1 1132 . 197 GLN N N 115.955 0.000 1 1133 . 197 GLN NE2 N 111.485 0.000 1 1134 . 198 LEU H H 7.756 0.019 1 1135 . 198 LEU HD1 H 0.933 0.021 1 1136 . 198 LEU HD2 H 0.862 0.012 1 1137 . 198 LEU C C 177.562 0.002 1 1138 . 198 LEU CA C 55.342 0.006 1 1139 . 198 LEU CB C 40.671 0.001 1 1140 . 198 LEU CD1 C 25.427 0.039 1 1141 . 198 LEU CD2 C 22.869 0.026 1 1142 . 198 LEU N N 118.493 0.000 1 1143 . 199 ALA H H 7.757 0.014 1 1144 . 199 ALA C C 177.869 0.016 1 1145 . 199 ALA CA C 52.313 0.003 1 1146 . 199 ALA CB C 18.239 0.025 1 1147 . 199 ALA N N 121.670 0.000 1 1148 . 200 LYS H H 7.951 0.004 1 1149 . 200 LYS C C 176.771 0.005 1 1150 . 200 LYS CA C 56.031 0.001 1 1151 . 200 LYS CB C 31.816 0.011 1 1152 . 200 LYS N N 119.569 0.000 1 1153 . 201 LYS H H 8.197 0.004 1 1154 . 201 LYS C C 176.268 0.004 1 1155 . 201 LYS CA C 56.042 0.003 1 1156 . 201 LYS CB C 31.985 0.017 1 1157 . 201 LYS N N 121.613 0.000 1 1158 . 202 ASP H H 8.290 0.002 1 1159 . 202 ASP C C 176.063 0.013 1 1160 . 202 ASP CA C 54.002 0.001 1 1161 . 202 ASP CB C 40.473 0.039 1 1162 . 202 ASP N N 120.469 0.000 1 1163 . 203 TYR H H 8.023 0.004 1 1164 . 203 TYR C C 175.920 0.006 1 1165 . 203 TYR CA C 57.841 0.011 1 1166 . 203 TYR CB C 37.900 0.010 1 1167 . 203 TYR N N 119.859 0.000 1 1168 . 204 LEU H H 8.099 0.003 1 1169 . 204 LEU HD1 H 0.831 0.027 1 1170 . 204 LEU HD2 H 0.886 0.000 1 1171 . 204 LEU C C 177.708 0.007 1 1172 . 204 LEU CA C 54.878 0.001 1 1173 . 204 LEU CB C 41.137 0.016 1 1174 . 204 LEU CD1 C 23.219 0.025 1 1175 . 204 LEU CD2 C 24.936 0.024 1 1176 . 204 LEU N N 123.266 0.000 1 1177 . 205 GLY H H 7.909 0.014 1 1178 . 205 GLY C C 173.839 0.007 1 1179 . 205 GLY CA C 44.891 0.002 1 1180 . 205 GLY N N 108.661 0.000 1 1181 . 206 LYS H H 8.045 0.002 1 1182 . 206 LYS C C 176.210 0.011 1 1183 . 206 LYS CA C 55.610 0.001 1 1184 . 206 LYS CB C 32.410 0.016 1 1185 . 206 LYS N N 120.696 0.000 1 1186 . 207 ALA H H 8.407 0.001 1 1187 . 207 ALA C C 177.101 0.013 1 1188 . 207 ALA CA C 52.180 0.005 1 1189 . 207 ALA CB C 18.524 0.013 1 1190 . 207 ALA N N 126.129 0.000 1 1191 . 208 THR H H 7.732 0.002 1 1192 . 208 THR C C 179.319 0.000 1 1193 . 208 THR CA C 62.663 0.000 1 1194 . 208 THR CB C 70.313 0.000 1 1195 . 208 THR N N 118.622 0.000 1 stop_ save_