data_6345 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution Structure of YKR049C ; _BMRB_accession_number 6345 _BMRB_flat_file_name bmr6345.str _Entry_type original _Submission_date 2004-10-11 _Accession_date 2004-10-11 _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 Jung Jin-Won . . 2 Lee Chul-Jin . . 3 Yee Adelinda . . 4 Arrowsmith Cheryl H. . 5 Tanaka Toshi . . 6 Lee Weontae . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 604 "13C chemical shifts" 506 "15N chemical shifts" 121 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2007-03-22 original author . stop_ _Original_release_date 2007-03-22 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Solution Structure of YKR049C, a Putative Redox Protein from Saccharomyces cerevisiae. ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 16202234 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Jung Jin-Won . . 2 Yee Adelinda . . 3 Wu B. . . 4 Arrowsmith Cheryl H. . 5 Lee Weontae . . stop_ _Journal_abbreviation 'J. Biochem. Mol. Biol.' _Journal_volume 38 _Journal_issue 5 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 550 _Page_last 554 _Year 2005 _Details . save_ ################################## # Molecular system description # ################################## save_molecular_system _Saveframe_category molecular_system _Mol_system_name ykr049c _Abbreviation_common ykr049c _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label ykr049c $ykr049c_polypeptide stop_ _System_molecular_weight 15650 _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'all free' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_ykr049c_polypeptide _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common ykr049c _Abbreviation_common ykr049c _Molecular_mass 15650 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 133 _Mol_residue_sequence ; MSFWKTLQRQPRTISLFTND IASNIKSQKCLQLLKGDVSH RFDVEIANRFPTWDQLQYMR TSCPQGPVSLQRQIPKLDSV LKYKHTDPTFGMDLQKCVQR GLWNPKEALWVDWENKLVGN EPADIDKYIIQRK ; loop_ _Residue_seq_code _Residue_label 1 MET 2 SER 3 PHE 4 TRP 5 LYS 6 THR 7 LEU 8 GLN 9 ARG 10 GLN 11 PRO 12 ARG 13 THR 14 ILE 15 SER 16 LEU 17 PHE 18 THR 19 ASN 20 ASP 21 ILE 22 ALA 23 SER 24 ASN 25 ILE 26 LYS 27 SER 28 GLN 29 LYS 30 CYS 31 LEU 32 GLN 33 LEU 34 LEU 35 LYS 36 GLY 37 ASP 38 VAL 39 SER 40 HIS 41 ARG 42 PHE 43 ASP 44 VAL 45 GLU 46 ILE 47 ALA 48 ASN 49 ARG 50 PHE 51 PRO 52 THR 53 TRP 54 ASP 55 GLN 56 LEU 57 GLN 58 TYR 59 MET 60 ARG 61 THR 62 SER 63 CYS 64 PRO 65 GLN 66 GLY 67 PRO 68 VAL 69 SER 70 LEU 71 GLN 72 ARG 73 GLN 74 ILE 75 PRO 76 LYS 77 LEU 78 ASP 79 SER 80 VAL 81 LEU 82 LYS 83 TYR 84 LYS 85 HIS 86 THR 87 ASP 88 PRO 89 THR 90 PHE 91 GLY 92 MET 93 ASP 94 LEU 95 GLN 96 LYS 97 CYS 98 VAL 99 GLN 100 ARG 101 GLY 102 LEU 103 TRP 104 ASN 105 PRO 106 LYS 107 GLU 108 ALA 109 LEU 110 TRP 111 VAL 112 ASP 113 TRP 114 GLU 115 ASN 116 LYS 117 LEU 118 VAL 119 GLY 120 ASN 121 GLU 122 PRO 123 ALA 124 ASP 125 ILE 126 ASP 127 LYS 128 TYR 129 ILE 130 ILE 131 GLN 132 ARG 133 LYS 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 1WPI "Solution Nmr Structure Of Protein Ykr049c From Saccharomyces Cerevisiae. Ontario Centre For Structural Proteomics Target Yst025" 100.00 133 100.00 100.00 4.41e-93 DBJ GAA24770 "K7_Fmp46p [Saccharomyces cerevisiae Kyokai no. 7]" 100.00 133 100.00 100.00 4.41e-93 EMBL CAA82127 "unnamed protein product [Saccharomyces cerevisiae]" 100.00 133 100.00 100.00 4.41e-93 EMBL CAY81129 "Fmp46p [Saccharomyces cerevisiae EC1118]" 100.00 133 99.25 99.25 2.98e-92 GB AAS56642 "YKR049C [Saccharomyces cerevisiae]" 100.00 133 100.00 100.00 4.41e-93 GB AHY76285 "Fmp46p [Saccharomyces cerevisiae YJM993]" 100.00 133 100.00 100.00 4.41e-93 GB EDN59952 "conserved protein [Saccharomyces cerevisiae YJM789]" 100.00 133 100.00 100.00 4.41e-93 GB EDV13131 "conserved hypothetical protein [Saccharomyces cerevisiae RM11-1a]" 100.00 133 100.00 100.00 4.41e-93 GB EEU07595 "Fmp46p [Saccharomyces cerevisiae JAY291]" 100.00 133 100.00 100.00 4.41e-93 REF NP_012975 "Fmp46p [Saccharomyces cerevisiae S288c]" 100.00 133 100.00 100.00 4.41e-93 SP P36141 "RecName: Full=Putative redox protein FMP46, mitochondrial; AltName: Full=Found in mitochondrial proteome protein 46; Flags: Pre" 100.00 133 100.00 100.00 4.41e-93 TPG DAA09200 "TPA: Fmp46p [Saccharomyces cerevisiae S288c]" 100.00 133 100.00 100.00 4.41e-93 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $ykr049c_polypeptide 'baker's yeast' 4932 Eukaryota Fungi Saccharomyces cerevisiae 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 $ykr049c_polypeptide 'recombinant technology' 'E. coli' Escherichia coli . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $ykr049c_polypeptide 1.5 mM 1.0 1.7 '[U-95% 13C; U-90% 15N]' 'Sodium Phosphate' 25 mM . . . 'Sodium Chloride' 150 mM . . . DTT 1 mM . . . stop_ save_ ############################ # Computer software used # ############################ save_software _Saveframe_category software _Name NMRPipe _Version 2.3 loop_ _Task 'data processing' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 500 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ save_NMR_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DMX _Field_strength 800 _Details . save_ save_NMR_spectrometer_4 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model Unity _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_HNCACB_1 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _Sample_label $sample save_ save_1H15N_HSQC_(example)_2 _Saveframe_category NMR_applied_experiment _Experiment_name '1H15N HSQC (example)' _Sample_label $sample save_ save_CBCA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name CBCA(CO)NH _Sample_label $sample save_ save_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _Sample_label $sample save_ save_CC(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name CC(CO)NH _Sample_label $sample save_ save_H(CCCO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name H(CCCO)NH _Sample_label $sample save_ save_HCCH-TOCSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-TOCSY _Sample_label $sample save_ save_HNCA_8 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _Sample_label $sample save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name '1H15N HSQC (example)' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_3 _Saveframe_category NMR_applied_experiment _Experiment_name CBCA(CO)NH _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 CC(CO)NH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_6 _Saveframe_category NMR_applied_experiment _Experiment_name H(CCCO)NH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_7 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-TOCSY _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_8 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_sample_conditions _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.5 0.01 pH temperature 298 0.01 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio _Indirect_shift_ratio_citation_label _Correction_value_citation_label DSS H 1 'methyl protons' ppm 0 internal direct . . . 1.0 $entry_citation $entry_citation stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample stop_ _Sample_conditions_label $sample_conditions _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name ykr049c _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 . 3 PHE C C 175.958 0.000 . 2 . 3 PHE CA C 58.832 0.039 . 3 . 3 PHE CB C 39.318 0.059 . 4 . 3 PHE HA H 4.033 0.009 . 5 . 3 PHE HB2 H 3.318 0.005 . 6 . 3 PHE HB3 H 3.160 0.005 . 7 . 4 TRP CA C 58.241 0.000 . 8 . 4 TRP CB C 29.245 0.000 . 9 . 4 TRP H H 7.812 0.007 . 10 . 4 TRP N N 120.530 0.016 . 11 . 5 LYS C C 177.100 0.000 . 12 . 5 LYS CA C 57.439 0.083 . 13 . 5 LYS CB C 32.855 0.074 . 14 . 5 LYS CD C 29.094 0.108 . 15 . 5 LYS CE C 42.223 0.056 . 16 . 5 LYS CG C 24.950 0.107 . 17 . 5 LYS HA H 4.158 0.013 . 18 . 5 LYS HB3 H 1.653 0.014 . 19 . 5 LYS HE2 H 2.953 0.009 . 20 . 5 LYS HG2 H 1.478 0.011 . 21 . 5 LYS HG3 H 1.261 0.002 . 22 . 5 LYS HD2 H 1.711 0.012 . 23 . 6 THR C C 174.857 0.000 . 24 . 6 THR CA C 62.907 0.015 . 25 . 6 THR CB C 69.684 0.156 . 26 . 6 THR CG2 C 21.873 0.004 . 27 . 6 THR HA H 4.224 0.000 . 28 . 6 THR HB H 4.215 0.003 . 29 . 6 THR H H 7.920 0.010 . 30 . 6 THR N N 113.928 0.119 . 31 . 6 THR HG2 H 1.204 0.000 . 32 . 7 LEU C C 177.375 0.000 . 33 . 7 LEU CA C 55.676 0.052 . 34 . 7 LEU CB C 42.407 0.120 . 35 . 7 LEU CD1 C 25.328 0.177 . 36 . 7 LEU CD2 C 23.540 0.019 . 37 . 7 LEU HA H 4.244 0.003 . 38 . 7 LEU HB2 H 1.570 0.018 . 39 . 7 LEU H H 7.978 0.014 . 40 . 7 LEU N N 123.076 0.099 . 41 . 7 LEU HD1 H 0.848 0.006 . 42 . 7 LEU HD2 H 0.785 0.001 . 43 . 8 GLN C C 175.781 0.000 . 44 . 8 GLN CA C 56.096 0.060 . 45 . 8 GLN CB C 29.336 0.133 . 46 . 8 GLN CG C 33.928 0.000 . 47 . 8 GLN HA H 4.268 0.013 . 48 . 8 GLN HG2 H 2.334 0.005 . 49 . 8 GLN H H 8.128 0.009 . 50 . 8 GLN N N 119.558 0.152 . 51 . 9 ARG C C 175.669 0.000 . 52 . 9 ARG CA C 56.042 0.088 . 53 . 9 ARG CB C 30.802 0.049 . 54 . 9 ARG CD C 43.468 0.072 . 55 . 9 ARG HA H 4.332 0.011 . 56 . 9 ARG HB2 H 1.847 0.017 . 57 . 9 ARG HD2 H 3.164 0.009 . 58 . 9 ARG H H 8.111 0.007 . 59 . 9 ARG N N 120.358 0.023 . 60 . 10 GLN CA C 53.758 0.000 . 61 . 10 GLN CB C 28.761 0.000 . 62 . 10 GLN H H 8.275 0.008 . 63 . 10 GLN N N 122.159 0.035 . 64 . 11 PRO C C 176.000 0.000 . 65 . 11 PRO CA C 64.225 0.106 . 66 . 11 PRO CB C 32.099 0.011 . 67 . 11 PRO CD C 51.181 0.177 . 68 . 11 PRO CG C 27.731 0.222 . 69 . 11 PRO HA H 4.390 0.013 . 70 . 11 PRO HB2 H 1.803 0.000 . 71 . 11 PRO HB3 H 1.958 0.007 . 72 . 11 PRO HD2 H 3.602 0.000 . 73 . 11 PRO HD3 H 3.826 0.009 . 74 . 11 PRO HG2 H 2.298 0.012 . 75 . 12 ARG CA C 57.477 0.025 . 76 . 12 ARG CB C 31.400 0.000 . 77 . 12 ARG HA H 4.199 0.000 . 78 . 12 ARG HB2 H 1.922 0.000 . 79 . 12 ARG HB3 H 1.808 0.000 . 80 . 12 ARG H H 7.979 0.008 . 81 . 12 ARG N N 126.755 0.058 . 82 . 13 THR C C 174.381 0.000 . 83 . 13 THR CA C 63.356 0.124 . 84 . 13 THR CB C 71.404 0.194 . 85 . 13 THR CG2 C 22.348 0.039 . 86 . 13 THR HA H 5.014 0.018 . 87 . 13 THR HB H 4.094 0.022 . 88 . 13 THR HG2 H 1.245 0.017 . 89 . 14 ILE C C 175.874 0.000 . 90 . 14 ILE CA C 59.835 0.107 . 91 . 14 ILE CB C 39.241 0.180 . 92 . 14 ILE CD1 C 12.456 0.073 . 93 . 14 ILE CG2 C 16.363 0.136 . 94 . 14 ILE HA H 5.112 0.007 . 95 . 14 ILE HB H 1.685 0.010 . 96 . 14 ILE H H 9.035 0.006 . 97 . 14 ILE N N 128.746 0.111 . 98 . 14 ILE HD1 H 0.114 0.009 . 99 . 14 ILE HG12 H 1.161 0.008 . 100 . 14 ILE HG2 H 0.643 0.011 . 101 . 15 SER C C 171.858 0.000 . 102 . 15 SER CA C 58.824 0.073 . 103 . 15 SER CB C 63.691 0.077 . 104 . 15 SER HA H 5.620 0.013 . 105 . 15 SER HB2 H 3.557 0.013 . 106 . 15 SER HB3 H 3.774 0.011 . 107 . 15 SER H H 8.792 0.011 . 108 . 15 SER N N 122.679 0.049 . 109 . 16 LEU C C 174.409 0.000 . 110 . 16 LEU CA C 53.134 0.121 . 111 . 16 LEU CB C 45.183 0.106 . 112 . 16 LEU CD1 C 24.348 0.083 . 113 . 16 LEU CG C 27.908 0.000 . 114 . 16 LEU HA H 5.179 0.015 . 115 . 16 LEU HB2 H 1.010 0.006 . 116 . 16 LEU HB3 H 1.900 0.008 . 117 . 16 LEU HG H 1.480 0.000 . 118 . 16 LEU H H 8.947 0.010 . 119 . 16 LEU N N 126.132 0.090 . 120 . 16 LEU HD1 H 0.993 0.008 . 121 . 16 LEU HD2 H 0.935 0.000 . 122 . 17 PHE C C 176.167 0.000 . 123 . 17 PHE CA C 56.895 0.108 . 124 . 17 PHE CB C 41.154 0.112 . 125 . 17 PHE HA H 5.503 0.012 . 126 . 17 PHE HB2 H 3.095 0.012 . 127 . 17 PHE HB3 H 3.541 0.011 . 128 . 17 PHE H H 9.762 0.011 . 129 . 17 PHE N N 126.529 0.103 . 130 . 17 PHE HD2 H 7.319 0.003 . 131 . 17 PHE HE1 H 7.293 0.016 . 132 . 18 THR C C 171.220 0.000 . 133 . 18 THR CA C 58.702 0.108 . 134 . 18 THR CB C 69.718 0.103 . 135 . 18 THR CG2 C 19.675 0.078 . 136 . 18 THR HA H 5.449 0.012 . 137 . 18 THR HB H 4.148 0.016 . 138 . 18 THR H H 8.526 0.008 . 139 . 18 THR N N 116.843 0.037 . 140 . 18 THR HG2 H 1.073 0.008 . 141 . 19 ASN C C 174.221 0.000 . 142 . 19 ASN CA C 55.372 0.105 . 143 . 19 ASN CB C 37.026 0.088 . 144 . 19 ASN HA H 4.282 0.009 . 145 . 19 ASN HB2 H 2.751 0.012 . 146 . 19 ASN HB3 H 2.129 0.012 . 147 . 19 ASN H H 9.007 0.008 . 148 . 19 ASN N N 122.110 0.069 . 149 . 20 ASP C C 175.707 0.000 . 150 . 20 ASP CA C 55.094 0.113 . 151 . 20 ASP CB C 41.445 0.145 . 152 . 20 ASP HA H 4.539 0.020 . 153 . 20 ASP HB2 H 2.693 0.010 . 154 . 20 ASP HB3 H 3.107 0.012 . 155 . 20 ASP H H 7.441 0.007 . 156 . 20 ASP N N 116.092 0.041 . 157 . 21 ILE C C 174.701 0.000 . 158 . 21 ILE CA C 60.684 0.087 . 159 . 21 ILE CB C 38.872 0.101 . 160 . 21 ILE CD1 C 14.274 0.070 . 161 . 21 ILE CG1 C 28.750 0.084 . 162 . 21 ILE CG2 C 18.715 0.055 . 163 . 21 ILE HA H 4.182 0.011 . 164 . 21 ILE HB H 1.800 0.012 . 165 . 21 ILE HG12 H 1.400 0.008 . 166 . 21 ILE HG13 H 1.281 0.302 . 167 . 21 ILE H H 9.147 0.009 . 168 . 21 ILE N N 129.600 0.078 . 169 . 21 ILE HD1 H 0.938 0.006 . 170 . 21 ILE HG2 H 0.966 0.009 . 171 . 22 ALA C C 178.590 0.000 . 172 . 22 ALA CA C 53.651 0.071 . 173 . 22 ALA CB C 19.210 0.080 . 174 . 22 ALA HA H 4.226 0.011 . 175 . 22 ALA H H 7.971 0.008 . 176 . 22 ALA N N 120.228 0.063 . 177 . 22 ALA HB H 1.480 0.008 . 178 . 23 SER CA C 58.664 0.079 . 179 . 23 SER CB C 65.062 0.108 . 180 . 23 SER HA H 4.625 0.014 . 181 . 23 SER HB2 H 3.948 0.009 . 182 . 23 SER HB3 H 3.785 0.014 . 183 . 23 SER H H 7.369 0.009 . 184 . 23 SER N N 109.067 0.045 . 185 . 24 ASN C C 175.739 0.000 . 186 . 24 ASN CA C 52.744 0.069 . 187 . 24 ASN CB C 36.984 0.061 . 188 . 24 ASN HA H 5.049 0.015 . 189 . 24 ASN HB2 H 2.875 0.011 . 190 . 24 ASN HB3 H 3.245 0.007 . 191 . 24 ASN H H 8.051 0.009 . 192 . 24 ASN N N 122.228 0.063 . 193 . 25 ILE C C 177.435 0.000 . 194 . 25 ILE CA C 63.617 0.101 . 195 . 25 ILE CB C 37.370 0.072 . 196 . 25 ILE CD1 C 11.806 0.098 . 197 . 25 ILE CG1 C 28.197 0.110 . 198 . 25 ILE CG2 C 17.842 0.070 . 199 . 25 ILE HA H 3.731 0.009 . 200 . 25 ILE HB H 1.991 0.010 . 201 . 25 ILE HG12 H 1.472 0.011 . 202 . 25 ILE HG13 H 1.612 0.008 . 203 . 25 ILE H H 8.314 0.009 . 204 . 25 ILE N N 127.609 0.050 . 205 . 25 ILE HD1 H 0.892 0.007 . 206 . 25 ILE HG2 H 1.013 0.007 . 207 . 26 LYS CA C 60.697 0.085 . 208 . 26 LYS CB C 32.465 0.211 . 209 . 26 LYS CD C 30.127 0.000 . 210 . 26 LYS CE C 41.913 0.133 . 211 . 26 LYS CG C 26.600 0.000 . 212 . 26 LYS HA H 4.088 0.008 . 213 . 26 LYS HB2 H 1.989 0.027 . 214 . 26 LYS HB3 H 1.777 0.018 . 215 . 26 LYS HE2 H 3.093 0.009 . 216 . 26 LYS H H 8.729 0.009 . 217 . 26 LYS N N 123.089 0.059 . 218 . 27 SER C C 175.184 0.000 . 219 . 27 SER CA C 62.608 0.078 . 220 . 27 SER CB C 63.725 0.091 . 221 . 27 SER HA H 4.123 0.000 . 222 . 27 SER H H 8.505 0.010 . 223 . 27 SER N N 115.658 0.081 . 224 . 28 GLN C C 178.678 0.000 . 225 . 28 GLN CA C 59.850 0.077 . 226 . 28 GLN CB C 28.191 0.071 . 227 . 28 GLN CG C 34.185 0.039 . 228 . 28 GLN HA H 3.959 0.008 . 229 . 28 GLN HB2 H 2.284 0.000 . 230 . 28 GLN HB3 H 2.633 0.004 . 231 . 28 GLN HG2 H 2.433 0.012 . 232 . 28 GLN HG3 H 2.649 0.000 . 233 . 28 GLN H H 8.014 0.011 . 234 . 28 GLN N N 124.536 0.072 . 235 . 29 LYS C C 180.141 0.000 . 236 . 29 LYS CA C 59.280 0.118 . 237 . 29 LYS CB C 32.316 0.149 . 238 . 29 LYS CE C 42.246 0.000 . 239 . 29 LYS CG C 25.611 0.043 . 240 . 29 LYS HA H 4.122 0.014 . 241 . 29 LYS HB2 H 2.138 0.008 . 242 . 29 LYS HB3 H 1.835 0.098 . 243 . 29 LYS HD2 H 1.597 0.002 . 244 . 29 LYS H H 8.412 0.009 . 245 . 29 LYS N N 119.996 0.058 . 246 . 29 LYS HG2 H 1.601 0.000 . 247 . 30 CYS C C 175.930 0.000 . 248 . 30 CYS CA C 64.683 0.172 . 249 . 30 CYS CB C 27.428 0.123 . 250 . 30 CYS HA H 3.833 0.009 . 251 . 30 CYS HB2 H 3.397 0.000 . 252 . 30 CYS HB3 H 2.145 0.008 . 253 . 30 CYS H H 7.966 0.009 . 254 . 30 CYS N N 116.198 0.110 . 255 . 31 LEU C C 177.591 0.000 . 256 . 31 LEU CA C 58.218 0.127 . 257 . 31 LEU CB C 41.706 0.106 . 258 . 31 LEU CD1 C 26.252 0.000 . 259 . 31 LEU CD2 C 23.913 0.078 . 260 . 31 LEU HA H 3.893 0.009 . 261 . 31 LEU HB2 H 1.417 0.014 . 262 . 31 LEU HB3 H 2.085 0.013 . 263 . 31 LEU HG H 1.442 0.005 . 264 . 31 LEU H H 8.207 0.007 . 265 . 31 LEU N N 119.872 0.054 . 266 . 31 LEU HD1 H 0.991 0.000 . 267 . 31 LEU HD2 H 0.952 0.014 . 268 . 32 GLN C C 179.375 0.000 . 269 . 32 GLN CA C 59.039 0.069 . 270 . 32 GLN CB C 28.319 0.104 . 271 . 32 GLN CG C 33.895 0.048 . 272 . 32 GLN HA H 3.889 0.014 . 273 . 32 GLN HB2 H 2.148 0.015 . 274 . 32 GLN HG2 H 2.540 0.000 . 275 . 32 GLN HG3 H 2.404 0.000 . 276 . 32 GLN H H 8.347 0.010 . 277 . 32 GLN N N 117.081 0.082 . 278 . 33 LEU C C 179.658 0.000 . 279 . 33 LEU CA C 57.485 0.111 . 280 . 33 LEU CB C 42.925 0.097 . 281 . 33 LEU CD1 C 27.290 0.062 . 282 . 33 LEU CD2 C 23.861 0.019 . 283 . 33 LEU HA H 4.118 0.010 . 284 . 33 LEU HB2 H 1.260 0.011 . 285 . 33 LEU HB3 H 1.815 0.018 . 286 . 33 LEU HG H 1.241 0.011 . 287 . 33 LEU H H 7.352 0.010 . 288 . 33 LEU N N 118.115 0.071 . 289 . 33 LEU HD1 H 0.819 0.004 . 290 . 33 LEU HD2 H 0.811 0.001 . 291 . 34 LEU C C 179.128 0.000 . 292 . 34 LEU CA C 57.943 0.100 . 293 . 34 LEU CB C 42.797 0.057 . 294 . 34 LEU CD1 C 25.526 0.111 . 295 . 34 LEU CD2 C 24.308 0.125 . 296 . 34 LEU HA H 4.015 0.009 . 297 . 34 LEU HB2 H 1.502 0.017 . 298 . 34 LEU HB3 H 1.997 0.011 . 299 . 34 LEU HG H 1.717 0.000 . 300 . 34 LEU H H 7.779 0.009 . 301 . 34 LEU N N 117.881 0.079 . 302 . 34 LEU HD1 H 0.609 0.008 . 303 . 34 LEU HD2 H 0.394 0.013 . 304 . 35 LYS C C 177.337 0.000 . 305 . 35 LYS CA C 57.185 0.089 . 306 . 35 LYS CB C 31.699 0.093 . 307 . 35 LYS CD C 28.671 0.000 . 308 . 35 LYS CE C 41.743 0.010 . 309 . 35 LYS CG C 25.400 0.000 . 310 . 35 LYS HA H 4.255 0.008 . 311 . 35 LYS HB2 H 1.939 0.017 . 312 . 35 LYS HB3 H 1.670 0.011 . 313 . 35 LYS H H 8.658 0.011 . 314 . 35 LYS N N 116.289 0.072 . 315 . 36 GLY C C 173.847 0.000 . 316 . 36 GLY CA C 45.410 0.067 . 317 . 36 GLY HA2 H 3.837 0.014 . 318 . 36 GLY HA3 H 4.095 0.014 . 319 . 36 GLY H H 7.602 0.008 . 320 . 36 GLY N N 105.910 0.069 . 321 . 37 ASP C C 176.838 0.000 . 322 . 37 ASP CA C 54.767 0.068 . 323 . 37 ASP CB C 43.134 0.114 . 324 . 37 ASP HA H 4.670 0.012 . 325 . 37 ASP HB2 H 2.604 0.000 . 326 . 37 ASP HB3 H 2.759 0.013 . 327 . 37 ASP H H 7.016 0.012 . 328 . 37 ASP N N 119.631 0.031 . 329 . 38 VAL C C 176.510 0.000 . 330 . 38 VAL CA C 61.738 0.088 . 331 . 38 VAL CB C 31.591 0.128 . 332 . 38 VAL CG1 C 21.344 0.095 . 333 . 38 VAL CG2 C 18.937 0.079 . 334 . 38 VAL HA H 4.327 0.014 . 335 . 38 VAL HB H 2.393 0.006 . 336 . 38 VAL H H 8.372 0.013 . 337 . 38 VAL N N 120.820 0.098 . 338 . 38 VAL HG1 H 0.963 0.010 . 339 . 38 VAL HG2 H 0.889 0.010 . 340 . 39 SER C C 174.440 0.000 . 341 . 39 SER CA C 59.571 0.091 . 342 . 39 SER CB C 64.422 0.085 . 343 . 39 SER HA H 4.316 0.009 . 344 . 39 SER HB2 H 3.906 0.007 . 345 . 39 SER H H 8.222 0.009 . 346 . 39 SER N N 117.173 0.064 . 347 . 40 HIS C C 174.290 0.000 . 348 . 40 HIS CA C 56.139 0.035 . 349 . 40 HIS CB C 27.505 0.024 . 350 . 40 HIS HA H 4.309 0.008 . 351 . 40 HIS HB2 H 3.146 0.019 . 352 . 40 HIS HB3 H 3.384 0.000 . 353 . 40 HIS H H 8.103 0.011 . 354 . 40 HIS N N 117.831 0.095 . 355 . 41 ARG C C 175.847 0.000 . 356 . 41 ARG CA C 57.458 0.104 . 357 . 41 ARG CB C 31.745 0.066 . 358 . 41 ARG CD C 43.585 0.000 . 359 . 41 ARG CG C 27.518 0.005 . 360 . 41 ARG HA H 4.235 0.012 . 361 . 41 ARG HB2 H 1.899 0.000 . 362 . 41 ARG H H 8.142 0.009 . 363 . 41 ARG N N 118.094 0.051 . 364 . 41 ARG HG2 H 1.685 0.000 . 365 . 42 PHE C C 173.705 0.000 . 366 . 42 PHE CA C 55.390 0.123 . 367 . 42 PHE CB C 41.387 0.067 . 368 . 42 PHE HA H 5.394 0.004 . 369 . 42 PHE HB2 H 3.038 0.014 . 370 . 42 PHE HB3 H 2.881 0.000 . 371 . 42 PHE H H 7.394 0.013 . 372 . 42 PHE N N 113.603 0.055 . 373 . 42 PHE HD2 H 7.082 0.007 . 374 . 42 PHE HE1 H 6.757 0.006 . 375 . 43 ASP C C 174.851 0.000 . 376 . 43 ASP CA C 53.112 0.110 . 377 . 43 ASP CB C 43.610 0.109 . 378 . 43 ASP HA H 5.128 0.017 . 379 . 43 ASP HB2 H 2.684 0.013 . 380 . 43 ASP HB3 H 2.523 0.008 . 381 . 43 ASP H H 9.263 0.009 . 382 . 43 ASP N N 122.081 0.053 . 383 . 44 VAL C C 175.557 0.000 . 384 . 44 VAL CA C 61.160 0.145 . 385 . 44 VAL CB C 33.976 0.154 . 386 . 44 VAL CG1 C 23.761 0.126 . 387 . 44 VAL CG2 C 21.007 0.033 . 388 . 44 VAL HA H 5.097 0.010 . 389 . 44 VAL HB H 1.995 0.010 . 390 . 44 VAL H H 8.659 0.008 . 391 . 44 VAL N N 121.289 0.067 . 392 . 44 VAL HG1 H 1.050 0.009 . 393 . 44 VAL HG2 H 0.839 0.008 . 394 . 45 GLU C C 174.439 0.000 . 395 . 45 GLU CA C 54.420 0.065 . 396 . 45 GLU CB C 32.421 0.258 . 397 . 45 GLU CG C 36.448 0.154 . 398 . 45 GLU HA H 4.663 0.013 . 399 . 45 GLU HB2 H 1.843 0.003 . 400 . 45 GLU HB3 H 2.066 0.018 . 401 . 45 GLU HG2 H 2.166 0.009 . 402 . 45 GLU HG3 H 1.881 0.013 . 403 . 45 GLU H H 9.147 0.010 . 404 . 45 GLU N N 130.038 0.062 . 405 . 46 ILE C C 174.653 0.000 . 406 . 46 ILE CA C 61.039 0.094 . 407 . 46 ILE CB C 36.954 0.150 . 408 . 46 ILE CD1 C 14.034 0.093 . 409 . 46 ILE CG2 C 18.294 0.079 . 410 . 46 ILE HA H 4.481 0.013 . 411 . 46 ILE HB H 1.906 0.009 . 412 . 46 ILE HG13 H 1.613 0.013 . 413 . 46 ILE H H 8.787 0.009 . 414 . 46 ILE N N 128.177 0.057 . 415 . 46 ILE HD1 H 0.948 0.011 . 416 . 46 ILE HG2 H 0.818 0.008 . 417 . 47 ALA C C 175.387 0.000 . 418 . 47 ALA CA C 51.006 0.100 . 419 . 47 ALA CB C 20.358 0.112 . 420 . 47 ALA HA H 4.579 0.012 . 421 . 47 ALA H H 9.189 0.008 . 422 . 47 ALA N N 134.507 0.073 . 423 . 47 ALA HB H 0.754 0.010 . 424 . 48 ASN C C 174.107 0.000 . 425 . 48 ASN CA C 52.164 0.097 . 426 . 48 ASN CB C 40.186 0.109 . 427 . 48 ASN HA H 5.423 0.009 . 428 . 48 ASN HB2 H 2.925 0.007 . 429 . 48 ASN HB3 H 3.170 0.018 . 430 . 48 ASN HD21 H 7.685 0.008 . 431 . 48 ASN HD22 H 6.803 0.001 . 432 . 48 ASN H H 8.597 0.009 . 433 . 48 ASN N N 120.325 0.084 . 434 . 48 ASN ND2 N 109.614 0.026 . 435 . 49 ARG C C 173.548 0.000 . 436 . 49 ARG CA C 54.088 0.059 . 437 . 49 ARG CB C 33.665 0.171 . 438 . 49 ARG CD C 43.460 0.087 . 439 . 49 ARG HA H 4.801 0.009 . 440 . 49 ARG HB2 H 1.560 0.019 . 441 . 49 ARG HB3 H 1.238 0.009 . 442 . 49 ARG HD2 H 3.296 0.017 . 443 . 49 ARG H H 7.073 0.009 . 444 . 49 ARG N N 117.296 0.053 . 445 . 50 PHE CA C 57.102 0.013 . 446 . 50 PHE CB C 39.977 0.136 . 447 . 50 PHE HA H 3.991 0.014 . 448 . 50 PHE HB2 H 3.319 0.007 . 449 . 50 PHE HB3 H 3.583 0.010 . 450 . 50 PHE H H 9.101 0.008 . 451 . 50 PHE N N 124.064 0.062 . 452 . 50 PHE HD2 H 7.746 0.004 . 453 . 51 PRO C C 174.786 0.000 . 454 . 51 PRO CA C 62.961 0.141 . 455 . 51 PRO CB C 32.868 0.006 . 456 . 51 PRO CD C 49.855 0.130 . 457 . 51 PRO CG C 26.216 0.000 . 458 . 51 PRO HA H 4.735 0.000 . 459 . 51 PRO HB2 H 1.072 0.007 . 460 . 51 PRO HB3 H 0.788 0.009 . 461 . 51 PRO HD2 H 2.204 0.010 . 462 . 51 PRO HD3 H 3.019 0.007 . 463 . 52 THR C C 174.641 0.000 . 464 . 52 THR CA C 62.006 0.115 . 465 . 52 THR CB C 70.660 0.097 . 466 . 52 THR CG2 C 22.511 0.070 . 467 . 52 THR HA H 4.488 0.010 . 468 . 52 THR HB H 4.777 0.015 . 469 . 52 THR H H 8.404 0.009 . 470 . 52 THR N N 109.364 0.065 . 471 . 52 THR HG2 H 1.397 0.015 . 472 . 53 TRP C C 177.761 0.000 . 473 . 53 TRP CA C 62.586 0.000 . 474 . 53 TRP CB C 28.448 0.083 . 475 . 53 TRP HA H 4.833 0.000 . 476 . 53 TRP H H 8.925 0.007 . 477 . 53 TRP N N 122.406 0.136 . 478 . 54 ASP C C 179.947 0.000 . 479 . 54 ASP CA C 57.726 0.072 . 480 . 54 ASP CB C 40.686 0.071 . 481 . 54 ASP HA H 4.174 0.004 . 482 . 54 ASP HB2 H 2.539 0.000 . 483 . 54 ASP HB3 H 2.623 0.000 . 484 . 54 ASP H H 8.492 0.010 . 485 . 54 ASP N N 115.261 0.022 . 486 . 55 GLN C C 178.050 0.000 . 487 . 55 GLN CA C 59.589 0.092 . 488 . 55 GLN CB C 29.868 0.134 . 489 . 55 GLN CG C 35.283 0.000 . 490 . 55 GLN H H 7.840 0.010 . 491 . 55 GLN N N 119.653 0.048 . 492 . 56 LEU C C 178.441 0.000 . 493 . 56 LEU CA C 58.619 0.117 . 494 . 56 LEU CB C 42.158 0.054 . 495 . 56 LEU CD1 C 26.444 0.090 . 496 . 56 LEU CD2 C 25.611 0.081 . 497 . 56 LEU HA H 3.801 0.006 . 498 . 56 LEU HB2 H 1.433 0.023 . 499 . 56 LEU HG H 1.391 0.013 . 500 . 56 LEU H H 8.741 0.009 . 501 . 56 LEU N N 120.961 0.087 . 502 . 56 LEU HD1 H 0.828 0.008 . 503 . 56 LEU HD2 H 0.785 0.006 . 504 . 57 GLN C C 179.104 0.000 . 505 . 57 GLN CA C 58.065 0.060 . 506 . 57 GLN CB C 27.307 0.180 . 507 . 57 GLN HA H 3.854 0.009 . 508 . 57 GLN HB2 H 1.953 0.016 . 509 . 57 GLN HB3 H 2.045 0.009 . 510 . 57 GLN H H 8.356 0.013 . 511 . 57 GLN N N 116.595 0.142 . 512 . 58 TYR C C 178.648 0.000 . 513 . 58 TYR CA C 62.000 0.041 . 514 . 58 TYR CB C 39.271 0.115 . 515 . 58 TYR HA H 5.020 0.002 . 516 . 58 TYR HB2 H 2.957 0.008 . 517 . 58 TYR HB3 H 2.285 0.005 . 518 . 58 TYR H H 8.059 0.015 . 519 . 58 TYR N N 122.500 0.074 . 520 . 58 TYR HD1 H 6.929 0.012 . 521 . 58 TYR HE1 H 7.308 0.006 . 522 . 59 MET C C 176.441 0.000 . 523 . 59 MET CA C 60.572 0.102 . 524 . 59 MET CB C 35.987 0.094 . 525 . 59 MET CE C 17.561 0.035 . 526 . 59 MET CG C 33.627 0.004 . 527 . 59 MET HA H 4.085 0.003 . 528 . 59 MET HB2 H 2.142 0.002 . 529 . 59 MET HB3 H 1.503 0.000 . 530 . 59 MET H H 8.290 0.010 . 531 . 59 MET N N 117.747 0.055 . 532 . 59 MET HE H 1.676 0.011 . 533 . 59 MET HG2 H 1.933 0.000 . 534 . 60 ARG C C 177.612 0.000 . 535 . 60 ARG CA C 59.442 0.139 . 536 . 60 ARG CB C 31.329 0.184 . 537 . 60 ARG CD C 43.819 0.000 . 538 . 60 ARG HA H 3.588 0.010 . 539 . 60 ARG HB2 H 1.742 0.002 . 540 . 60 ARG HB3 H 1.580 0.000 . 541 . 60 ARG HG2 H 1.546 0.006 . 542 . 60 ARG H H 8.241 0.012 . 543 . 60 ARG N N 114.026 0.083 . 544 . 61 THR C C 176.461 0.000 . 545 . 61 THR CA C 63.665 0.117 . 546 . 61 THR CB C 70.846 0.190 . 547 . 61 THR CG2 C 21.513 0.026 . 548 . 61 THR HA H 4.307 0.011 . 549 . 61 THR HB H 4.201 0.005 . 550 . 61 THR H H 8.197 0.008 . 551 . 61 THR N N 107.922 0.046 . 552 . 61 THR HG2 H 1.206 0.016 . 553 . 62 SER C C 172.753 0.000 . 554 . 62 SER CA C 60.148 0.088 . 555 . 62 SER CB C 64.530 0.071 . 556 . 62 SER HA H 4.572 0.012 . 557 . 62 SER HB2 H 3.474 0.009 . 558 . 62 SER HB3 H 3.142 0.018 . 559 . 62 SER H H 7.947 0.008 . 560 . 62 SER N N 115.507 0.090 . 561 . 63 CYS CA C 55.060 0.094 . 562 . 63 CYS CB C 29.619 0.133 . 563 . 63 CYS HA H 5.100 0.012 . 564 . 63 CYS HB2 H 2.212 0.010 . 565 . 63 CYS HB3 H 3.472 0.011 . 566 . 63 CYS H H 6.315 0.010 . 567 . 63 CYS N N 115.981 0.129 . 568 . 64 PRO C C 177.853 0.000 . 569 . 64 PRO CA C 66.192 0.128 . 570 . 64 PRO CB C 32.394 0.136 . 571 . 64 PRO CD C 51.576 0.158 . 572 . 64 PRO CG C 27.779 0.209 . 573 . 64 PRO HA H 4.191 0.004 . 574 . 64 PRO HB2 H 2.022 0.012 . 575 . 64 PRO HB3 H 2.189 0.014 . 576 . 64 PRO HD2 H 4.061 0.006 . 577 . 64 PRO HD3 H 4.161 0.009 . 578 . 64 PRO HG2 H 2.445 0.011 . 579 . 65 GLN C C 175.912 0.932 . 580 . 65 GLN CA C 55.543 0.069 . 581 . 65 GLN CB C 27.938 0.084 . 582 . 65 GLN HA H 4.454 0.011 . 583 . 65 GLN HB2 H 2.217 0.000 . 584 . 65 GLN HB3 H 2.062 0.000 . 585 . 65 GLN HG2 H 2.402 0.017 . 586 . 65 GLN H H 8.559 0.007 . 587 . 65 GLN N N 113.821 0.036 . 588 . 66 GLY CA C 45.386 0.000 . 589 . 66 GLY HA2 H 3.220 0.011 . 590 . 66 GLY H H 8.422 0.009 . 591 . 66 GLY N N 110.453 0.129 . 592 . 67 PRO C C 178.686 0.000 . 593 . 67 PRO CA C 67.709 0.156 . 594 . 67 PRO CB C 31.848 0.003 . 595 . 67 PRO CG C 28.833 0.000 . 596 . 67 PRO HA H 3.855 0.007 . 597 . 67 PRO HB2 H 1.988 0.000 . 598 . 68 VAL C C 177.724 0.000 . 599 . 68 VAL CA C 65.462 0.110 . 600 . 68 VAL CB C 31.757 0.080 . 601 . 68 VAL CG1 C 22.255 0.071 . 602 . 68 VAL CG2 C 20.762 0.057 . 603 . 68 VAL HA H 3.796 0.015 . 604 . 68 VAL HB H 1.965 0.011 . 605 . 68 VAL H H 7.735 0.012 . 606 . 68 VAL N N 115.360 0.076 . 607 . 68 VAL HG1 H 0.995 0.007 . 608 . 68 VAL HG2 H 0.934 0.017 . 609 . 69 SER C C 177.565 0.000 . 610 . 69 SER CA C 61.162 0.093 . 611 . 69 SER CB C 63.247 0.074 . 612 . 69 SER HA H 4.831 0.013 . 613 . 69 SER HB2 H 3.512 0.010 . 614 . 69 SER HB3 H 3.171 0.021 . 615 . 69 SER H H 7.340 0.008 . 616 . 69 SER N N 117.171 0.074 . 617 . 70 LEU C C 177.993 0.000 . 618 . 70 LEU CA C 57.356 0.085 . 619 . 70 LEU CB C 43.070 0.166 . 620 . 70 LEU CD1 C 25.631 0.123 . 621 . 70 LEU CD2 C 22.671 0.191 . 622 . 70 LEU HA H 3.634 0.012 . 623 . 70 LEU HB2 H 1.795 0.012 . 624 . 70 LEU HB3 H 1.088 0.013 . 625 . 70 LEU HG H 1.567 0.000 . 626 . 70 LEU H H 8.779 0.010 . 627 . 70 LEU N N 120.847 0.079 . 628 . 70 LEU HD1 H 0.545 0.007 . 629 . 70 LEU HD2 H 0.567 0.006 . 630 . 71 GLN C C 177.727 0.000 . 631 . 71 GLN CA C 58.154 0.076 . 632 . 71 GLN CB C 28.238 0.114 . 633 . 71 GLN CG C 34.161 0.056 . 634 . 71 GLN HA H 3.935 0.009 . 635 . 71 GLN HB2 H 2.096 0.013 . 636 . 71 GLN HG2 H 2.401 0.016 . 637 . 71 GLN H H 7.769 0.009 . 638 . 71 GLN N N 118.407 0.130 . 639 . 72 ARG C C 177.118 0.000 . 640 . 72 ARG CA C 58.879 0.087 . 641 . 72 ARG CB C 30.264 0.110 . 642 . 72 ARG CD C 43.514 0.171 . 643 . 72 ARG CG C 28.358 0.130 . 644 . 72 ARG HA H 3.894 0.010 . 645 . 72 ARG HD2 H 3.069 0.014 . 646 . 72 ARG HG2 H 1.526 0.005 . 647 . 72 ARG H H 7.225 0.009 . 648 . 72 ARG N N 115.567 0.031 . 649 . 73 GLN C C 174.481 0.000 . 650 . 73 GLN CA C 56.085 0.023 . 651 . 73 GLN CB C 32.269 0.176 . 652 . 73 GLN CG C 32.596 0.000 . 653 . 73 GLN HA H 3.657 0.012 . 654 . 73 GLN H H 6.952 0.008 . 655 . 73 GLN N N 117.089 0.067 . 656 . 74 ILE CA C 58.106 0.171 . 657 . 74 ILE CB C 38.795 0.099 . 658 . 74 ILE CD1 C 15.308 0.120 . 659 . 74 ILE CG1 C 27.392 0.380 . 660 . 74 ILE CG2 C 16.342 0.083 . 661 . 74 ILE HA H 4.611 0.009 . 662 . 74 ILE HB H 1.963 0.012 . 663 . 74 ILE HG12 H 1.083 0.018 . 664 . 74 ILE HG13 H 1.269 0.007 . 665 . 74 ILE H H 8.281 0.011 . 666 . 74 ILE N N 119.920 0.114 . 667 . 74 ILE HD1 H 0.658 0.008 . 668 . 74 ILE HG2 H 1.042 0.008 . 669 . 75 PRO CD C 50.551 0.137 . 670 . 75 PRO HB2 H 1.620 0.000 . 671 . 75 PRO HB3 H 1.878 0.000 . 672 . 75 PRO HD2 H 3.410 0.004 . 673 . 75 PRO HD3 H 3.532 0.000 . 674 . 75 PRO HG2 H 2.425 0.000 . 675 . 76 LYS C C 176.276 0.000 . 676 . 76 LYS CA C 54.934 0.121 . 677 . 76 LYS CB C 31.357 0.153 . 678 . 76 LYS CE C 42.293 0.000 . 679 . 76 LYS HA H 4.851 0.009 . 680 . 76 LYS HB2 H 2.232 0.000 . 681 . 76 LYS HB3 H 1.558 0.000 . 682 . 77 LEU C C 176.399 0.000 . 683 . 77 LEU CA C 59.106 0.136 . 684 . 77 LEU CB C 41.367 0.041 . 685 . 77 LEU CD2 C 23.475 0.064 . 686 . 77 LEU CG C 27.095 0.022 . 687 . 77 LEU HA H 3.719 0.007 . 688 . 77 LEU HB2 H 1.580 0.007 . 689 . 77 LEU H H 7.510 0.010 . 690 . 77 LEU N N 122.192 0.039 . 691 . 77 LEU HD1 H 0.909 0.000 . 692 . 77 LEU HD2 H 0.848 0.010 . 693 . 78 ASP C C 178.709 0.000 . 694 . 78 ASP CA C 57.751 0.104 . 695 . 78 ASP CB C 40.288 0.062 . 696 . 78 ASP HA H 4.218 0.018 . 697 . 78 ASP HB3 H 2.611 0.012 . 698 . 78 ASP H H 8.725 0.007 . 699 . 78 ASP N N 114.539 0.076 . 700 . 79 SER C C 176.385 0.000 . 701 . 79 SER CA C 61.696 0.101 . 702 . 79 SER CB C 62.929 0.113 . 703 . 79 SER HA H 4.236 0.007 . 704 . 79 SER H H 7.606 0.010 . 705 . 79 SER N N 113.587 0.066 . 706 . 79 SER HB2 H 3.956 0.014 . 707 . 80 VAL C C 178.018 0.000 . 708 . 80 VAL CA C 64.352 0.181 . 709 . 80 VAL CB C 31.624 0.178 . 710 . 80 VAL CG1 C 22.813 0.101 . 711 . 80 VAL CG2 C 21.996 0.120 . 712 . 80 VAL HA H 3.974 0.001 . 713 . 80 VAL HB H 2.062 0.017 . 714 . 80 VAL H H 7.573 0.007 . 715 . 80 VAL N N 124.028 0.094 . 716 . 80 VAL HG1 H 0.784 0.010 . 717 . 80 VAL HG2 H 0.945 0.009 . 718 . 81 LEU C C 177.852 0.000 . 719 . 81 LEU CA C 56.763 0.051 . 720 . 81 LEU CB C 41.232 0.045 . 721 . 81 LEU CD2 C 22.437 0.081 . 722 . 81 LEU CG C 25.936 0.000 . 723 . 81 LEU HA H 4.310 0.000 . 724 . 81 LEU HB2 H 1.685 0.000 . 725 . 81 LEU H H 8.015 0.010 . 726 . 81 LEU N N 115.660 0.088 . 727 . 81 LEU HD1 H 0.718 0.000 . 728 . 81 LEU HD2 H 0.680 0.005 . 729 . 82 LYS C C 177.377 0.000 . 730 . 82 LYS CA C 55.858 0.109 . 731 . 82 LYS CB C 32.974 0.084 . 732 . 82 LYS CD C 29.217 0.000 . 733 . 82 LYS CE C 42.364 0.000 . 734 . 82 LYS CG C 25.386 0.000 . 735 . 82 LYS HA H 4.595 0.000 . 736 . 82 LYS HD2 H 1.534 0.000 . 737 . 82 LYS H H 7.455 0.009 . 738 . 82 LYS N N 116.862 0.071 . 739 . 83 TYR C C 177.466 0.000 . 740 . 83 TYR CA C 55.081 0.104 . 741 . 83 TYR CB C 37.508 0.124 . 742 . 83 TYR HA H 4.875 0.019 . 743 . 83 TYR HB2 H 3.824 0.014 . 744 . 83 TYR HB3 H 3.599 0.007 . 745 . 83 TYR H H 7.959 0.009 . 746 . 83 TYR N N 121.778 0.052 . 747 . 83 TYR HD1 H 7.729 0.000 . 748 . 83 TYR HE1 H 6.766 0.000 . 749 . 84 LYS C C 179.373 0.000 . 750 . 84 LYS CA C 56.607 0.048 . 751 . 84 LYS CB C 33.190 0.021 . 752 . 84 LYS CE C 42.159 0.020 . 753 . 84 LYS CG C 25.420 0.000 . 754 . 84 LYS HA H 4.337 0.011 . 755 . 84 LYS HB3 H 1.699 0.000 . 756 . 84 LYS HE2 H 3.029 0.001 . 757 . 84 LYS H H 8.893 0.010 . 758 . 84 LYS N N 119.767 0.056 . 759 . 85 HIS C C 174.279 0.000 . 760 . 85 HIS CA C 57.841 0.102 . 761 . 85 HIS CB C 28.213 0.044 . 762 . 85 HIS HA H 3.842 0.002 . 763 . 85 HIS HB2 H 2.567 0.012 . 764 . 85 HIS H H 8.555 0.012 . 765 . 85 HIS N N 119.427 0.133 . 766 . 86 THR C C 174.602 0.000 . 767 . 86 THR CA C 60.296 0.094 . 768 . 86 THR CB C 69.136 0.099 . 769 . 86 THR CG2 C 21.559 0.066 . 770 . 86 THR HA H 4.297 0.012 . 771 . 86 THR H H 6.785 0.008 . 772 . 86 THR N N 103.794 0.106 . 773 . 86 THR HG2 H 0.921 0.010 . 774 . 87 ASP CA C 54.253 0.045 . 775 . 87 ASP CB C 43.718 0.122 . 776 . 87 ASP HA H 4.544 0.010 . 777 . 87 ASP HB2 H 2.882 0.014 . 778 . 87 ASP HB3 H 3.088 0.013 . 779 . 87 ASP H H 8.114 0.009 . 780 . 87 ASP N N 126.226 0.076 . 781 . 88 PRO C C 175.722 0.000 . 782 . 88 PRO CA C 64.394 0.188 . 783 . 88 PRO CB C 32.148 0.061 . 784 . 88 PRO CD C 51.599 0.112 . 785 . 88 PRO CG C 27.302 0.000 . 786 . 88 PRO HA H 4.433 0.005 . 787 . 88 PRO HB2 H 1.963 0.000 . 788 . 88 PRO HD2 H 3.509 0.007 . 789 . 88 PRO HD3 H 3.811 0.009 . 790 . 88 PRO HG2 H 2.453 0.012 . 791 . 89 THR C C 174.876 0.000 . 792 . 89 THR CA C 67.485 0.087 . 793 . 89 THR CB C 69.769 0.138 . 794 . 89 THR CG2 C 20.538 0.063 . 795 . 89 THR HA H 3.376 0.012 . 796 . 89 THR HB H 2.987 0.018 . 797 . 89 THR H H 9.174 0.010 . 798 . 89 THR N N 115.815 0.074 . 799 . 89 THR HG2 H 0.153 0.012 . 800 . 90 PHE C C 176.594 0.000 . 801 . 90 PHE CA C 60.212 0.087 . 802 . 90 PHE CB C 38.238 0.132 . 803 . 90 PHE HA H 4.726 0.014 . 804 . 90 PHE HB2 H 3.264 0.006 . 805 . 90 PHE HB3 H 3.558 0.009 . 806 . 90 PHE H H 7.187 0.009 . 807 . 90 PHE N N 117.245 0.069 . 808 . 90 PHE HD2 H 8.040 0.003 . 809 . 90 PHE HE1 H 7.749 0.000 . 810 . 91 GLY C C 173.871 0.000 . 811 . 91 GLY CA C 45.617 0.085 . 812 . 91 GLY HA2 H 4.492 0.014 . 813 . 91 GLY HA3 H 3.966 0.015 . 814 . 91 GLY H H 7.637 0.009 . 815 . 91 GLY N N 114.166 0.068 . 816 . 92 MET C C 175.555 0.000 . 817 . 92 MET CA C 56.591 0.094 . 818 . 92 MET CB C 34.215 0.016 . 819 . 92 MET CE C 16.565 0.121 . 820 . 92 MET CG C 32.336 0.094 . 821 . 92 MET HA H 4.172 0.013 . 822 . 92 MET HG2 H 2.520 0.012 . 823 . 92 MET HG3 H 2.891 0.008 . 824 . 92 MET H H 8.009 0.010 . 825 . 92 MET N N 123.445 0.076 . 826 . 92 MET HE H 1.882 0.001 . 827 . 93 ASP C C 178.210 0.000 . 828 . 93 ASP CA C 56.165 0.067 . 829 . 93 ASP CB C 43.278 0.126 . 830 . 93 ASP HA H 4.504 0.013 . 831 . 93 ASP HB2 H 2.657 0.011 . 832 . 93 ASP HB3 H 2.879 0.011 . 833 . 93 ASP H H 8.583 0.008 . 834 . 93 ASP N N 125.149 0.066 . 835 . 94 LEU C C 179.242 0.000 . 836 . 94 LEU CA C 58.176 0.103 . 837 . 94 LEU CB C 42.565 0.088 . 838 . 94 LEU CD1 C 24.736 0.113 . 839 . 94 LEU CD2 C 21.313 0.090 . 840 . 94 LEU CG C 26.779 0.002 . 841 . 94 LEU HA H 3.769 0.011 . 842 . 94 LEU HB2 H 1.588 0.013 . 843 . 94 LEU HG H 0.900 0.011 . 844 . 94 LEU H H 8.788 0.011 . 845 . 94 LEU N N 126.421 0.069 . 846 . 94 LEU HD1 H 0.153 0.006 . 847 . 94 LEU HD2 H -0.445 0.010 . 848 . 95 GLN C C 179.918 0.000 . 849 . 95 GLN CA C 59.776 0.070 . 850 . 95 GLN CB C 27.994 0.144 . 851 . 95 GLN CG C 33.684 0.112 . 852 . 95 GLN HA H 4.370 0.010 . 853 . 95 GLN HB2 H 2.374 0.011 . 854 . 95 GLN HB3 H 2.169 0.006 . 855 . 95 GLN HE21 H 7.652 0.000 . 856 . 95 GLN HE22 H 7.070 0.000 . 857 . 95 GLN HG2 H 2.631 0.017 . 858 . 95 GLN H H 8.920 0.009 . 859 . 95 GLN N N 120.822 0.059 . 860 . 95 GLN NE2 N 112.615 0.032 . 861 . 96 LYS C C 179.586 0.000 . 862 . 96 LYS CA C 59.086 0.128 . 863 . 96 LYS CB C 32.117 0.074 . 864 . 96 LYS CD C 29.402 0.000 . 865 . 96 LYS CE C 42.157 0.021 . 866 . 96 LYS CG C 25.680 0.021 . 867 . 96 LYS HA H 4.235 0.012 . 868 . 96 LYS HB3 H 2.061 0.013 . 869 . 96 LYS HD2 H 1.653 0.000 . 870 . 96 LYS HE2 H 3.065 0.000 . 871 . 96 LYS HG2 H 1.636 0.000 . 872 . 96 LYS HG3 H 1.514 0.000 . 873 . 96 LYS H H 7.586 0.007 . 874 . 96 LYS N N 120.393 0.052 . 875 . 97 CYS CA C 64.761 0.142 . 876 . 97 CYS CB C 26.889 0.096 . 877 . 97 CYS HA H 3.993 0.009 . 878 . 97 CYS HB2 H 2.678 0.014 . 879 . 97 CYS HB3 H 3.278 0.008 . 880 . 97 CYS H H 7.775 0.010 . 881 . 97 CYS N N 116.740 0.080 . 882 . 98 VAL C C 180.125 0.000 . 883 . 98 VAL CA C 66.544 0.099 . 884 . 98 VAL CB C 32.105 0.102 . 885 . 98 VAL CG1 C 23.566 0.097 . 886 . 98 VAL CG2 C 21.671 0.068 . 887 . 98 VAL HA H 4.259 0.008 . 888 . 98 VAL HB H 2.609 0.012 . 889 . 98 VAL H H 8.708 0.010 . 890 . 98 VAL N N 122.700 0.097 . 891 . 98 VAL HG1 H 1.374 0.010 . 892 . 98 VAL HG2 H 1.174 0.010 . 893 . 99 GLN C C 177.610 0.000 . 894 . 99 GLN CA C 58.850 0.119 . 895 . 99 GLN CB C 28.341 0.075 . 896 . 99 GLN CG C 33.995 0.048 . 897 . 99 GLN HA H 4.187 0.018 . 898 . 99 GLN HB2 H 2.377 0.000 . 899 . 99 GLN HG2 H 2.378 0.000 . 900 . 99 GLN HG3 H 2.578 0.000 . 901 . 99 GLN H H 7.674 0.010 . 902 . 99 GLN N N 120.661 0.058 . 903 . 100 ARG C C 176.136 0.000 . 904 . 100 ARG CA C 56.401 0.094 . 905 . 100 ARG CB C 32.066 0.100 . 906 . 100 ARG CD C 44.026 0.000 . 907 . 100 ARG HA H 4.409 0.011 . 908 . 100 ARG HB2 H 2.257 0.015 . 909 . 100 ARG H H 7.642 0.009 . 910 . 100 ARG N N 115.227 0.042 . 911 . 101 GLY C C 174.390 0.000 . 912 . 101 GLY CA C 46.048 0.100 . 913 . 101 GLY HA2 H 4.130 0.012 . 914 . 101 GLY HA3 H 4.179 0.010 . 915 . 101 GLY H H 7.996 0.008 . 916 . 101 GLY N N 107.787 0.161 . 917 . 102 LEU C C 173.822 0.000 . 918 . 102 LEU CA C 54.788 0.116 . 919 . 102 LEU CB C 44.868 0.108 . 920 . 102 LEU CD1 C 26.466 0.075 . 921 . 102 LEU CD2 C 23.629 0.078 . 922 . 102 LEU HA H 4.337 0.008 . 923 . 102 LEU HB2 H 1.746 0.012 . 924 . 102 LEU HB3 H 1.513 0.009 . 925 . 102 LEU HG H 1.488 0.013 . 926 . 102 LEU H H 8.079 0.009 . 927 . 102 LEU N N 116.023 0.067 . 928 . 102 LEU HD1 H 0.771 0.015 . 929 . 102 LEU HD2 H 0.737 0.005 . 930 . 103 TRP C C 174.549 0.000 . 931 . 103 TRP CA C 56.380 0.112 . 932 . 103 TRP CB C 33.608 0.088 . 933 . 103 TRP HA H 5.121 0.013 . 934 . 103 TRP HB2 H 3.006 0.017 . 935 . 103 TRP HB3 H 2.895 0.010 . 936 . 103 TRP HE3 H 8.302 0.005 . 937 . 103 TRP H H 7.015 0.008 . 938 . 103 TRP HZ2 H 8.165 0.011 . 939 . 103 TRP HZ3 H 7.819 0.000 . 940 . 103 TRP N N 115.803 0.055 . 941 . 104 ASN CA C 50.304 0.088 . 942 . 104 ASN CB C 38.979 0.069 . 943 . 104 ASN HA H 4.974 0.013 . 944 . 104 ASN HB2 H 2.950 0.011 . 945 . 104 ASN HB3 H 2.455 0.011 . 946 . 104 ASN H H 8.236 0.010 . 947 . 104 ASN N N 127.729 0.051 . 948 . 105 PRO C C 175.735 0.000 . 949 . 105 PRO CA C 64.182 0.024 . 950 . 105 PRO CB C 32.469 0.014 . 951 . 105 PRO CD C 50.726 0.142 . 952 . 105 PRO CG C 26.913 0.175 . 953 . 105 PRO HA H 4.621 0.000 . 954 . 105 PRO HB2 H 2.290 0.016 . 955 . 105 PRO HB3 H 2.001 0.002 . 956 . 105 PRO HD2 H 4.167 0.010 . 957 . 105 PRO HD3 H 4.371 0.005 . 958 . 106 LYS C C 176.195 0.000 . 959 . 106 LYS CA C 55.405 0.094 . 960 . 106 LYS CB C 32.809 0.072 . 961 . 106 LYS CD C 29.142 0.161 . 962 . 106 LYS CE C 42.209 0.070 . 963 . 106 LYS CG C 25.786 0.146 . 964 . 106 LYS HA H 4.612 0.018 . 965 . 106 LYS HB2 H 1.771 0.017 . 966 . 106 LYS HD2 H 2.117 0.012 . 967 . 106 LYS HD3 H 1.947 0.011 . 968 . 106 LYS HE2 H 3.064 0.009 . 969 . 106 LYS H H 7.986 0.011 . 970 . 106 LYS N N 117.009 0.097 . 971 . 106 LYS HG2 H 1.511 0.000 . 972 . 107 GLU C C 173.585 0.000 . 973 . 107 GLU CA C 53.269 0.058 . 974 . 107 GLU CB C 33.218 0.000 . 975 . 107 GLU CG C 35.500 0.122 . 976 . 107 GLU HA H 5.034 0.007 . 977 . 107 GLU HB3 H 1.637 0.014 . 978 . 107 GLU HG2 H 2.345 0.004 . 979 . 107 GLU H H 7.453 0.007 . 980 . 107 GLU N N 121.773 0.070 . 981 . 108 ALA C C 174.435 0.000 . 982 . 108 ALA CA C 51.479 0.098 . 983 . 108 ALA CB C 23.120 0.177 . 984 . 108 ALA HA H 4.800 0.010 . 985 . 108 ALA H H 9.082 0.009 . 986 . 108 ALA N N 128.211 0.105 . 987 . 108 ALA HB H 1.419 0.011 . 988 . 109 LEU C C 173.695 0.000 . 989 . 109 LEU CA C 54.067 0.158 . 990 . 109 LEU CB C 45.341 0.075 . 991 . 109 LEU CD1 C 26.379 0.091 . 992 . 109 LEU CD2 C 24.009 0.086 . 993 . 109 LEU CG C 27.577 0.098 . 994 . 109 LEU HA H 5.038 0.011 . 995 . 109 LEU HB2 H 1.843 0.019 . 996 . 109 LEU HB3 H 1.599 0.007 . 997 . 109 LEU HG H 1.147 0.014 . 998 . 109 LEU H H 6.739 0.012 . 999 . 109 LEU N N 116.703 0.065 . 1000 . 109 LEU HD1 H 0.323 0.010 . 1001 . 109 LEU HD2 H 0.377 0.005 . 1002 . 110 TRP C C 174.465 0.000 . 1003 . 110 TRP CA C 52.932 0.132 . 1004 . 110 TRP CB C 32.759 0.180 . 1005 . 110 TRP HA H 6.051 0.012 . 1006 . 110 TRP HB2 H 3.038 0.011 . 1007 . 110 TRP HB3 H 2.850 0.011 . 1008 . 110 TRP HE3 H 8.793 0.006 . 1009 . 110 TRP H H 8.795 0.010 . 1010 . 110 TRP HZ3 H 8.898 0.000 . 1011 . 110 TRP N N 125.612 0.110 . 1012 . 111 VAL C C 173.910 0.000 . 1013 . 111 VAL CA C 59.955 0.118 . 1014 . 111 VAL CB C 34.398 0.163 . 1015 . 111 VAL CG1 C 20.354 0.093 . 1016 . 111 VAL CG2 C 18.615 0.104 . 1017 . 111 VAL HA H 4.718 0.016 . 1018 . 111 VAL HB H 1.400 0.010 . 1019 . 111 VAL H H 8.878 0.012 . 1020 . 111 VAL N N 115.897 0.070 . 1021 . 111 VAL HG1 H 0.276 0.014 . 1022 . 111 VAL HG2 H -0.229 0.005 . 1023 . 112 ASP C C 176.392 0.000 . 1024 . 112 ASP CA C 51.619 0.137 . 1025 . 112 ASP CB C 41.551 0.155 . 1026 . 112 ASP HA H 5.044 0.013 . 1027 . 112 ASP HB2 H 3.181 0.014 . 1028 . 112 ASP HB3 H 2.364 0.013 . 1029 . 112 ASP H H 9.267 0.007 . 1030 . 112 ASP N N 126.768 0.086 . 1031 . 113 TRP CA C 59.604 0.344 . 1032 . 113 TRP CB C 30.261 0.000 . 1033 . 113 TRP HA H 3.980 0.009 . 1034 . 113 TRP HB2 H 3.053 0.036 . 1035 . 113 TRP HD1 H 7.232 0.000 . 1036 . 113 TRP HE1 H 10.193 0.000 . 1037 . 113 TRP HE3 H 6.893 0.000 . 1038 . 113 TRP H H 6.997 0.012 . 1039 . 113 TRP HZ2 H 8.182 0.688 . 1040 . 113 TRP HZ3 H 7.149 0.000 . 1041 . 113 TRP N N 123.408 0.086 . 1042 . 113 TRP NE1 N 129.478 0.052 . 1043 . 114 GLU C C 177.358 0.000 . 1044 . 114 GLU CA C 59.633 0.071 . 1045 . 114 GLU CB C 30.344 0.003 . 1046 . 114 GLU CG C 36.699 0.000 . 1047 . 114 GLU HA H 4.239 0.000 . 1048 . 115 ASN CA C 52.875 0.120 . 1049 . 115 ASN CB C 39.404 0.080 . 1050 . 115 ASN HA H 5.022 0.011 . 1051 . 115 ASN HB2 H 2.947 0.008 . 1052 . 115 ASN HB3 H 2.281 0.006 . 1053 . 115 ASN H H 7.098 0.012 . 1054 . 115 ASN N N 112.577 0.060 . 1055 . 116 LYS C C 174.899 0.000 . 1056 . 116 LYS CA C 58.311 0.052 . 1057 . 116 LYS CB C 28.270 0.105 . 1058 . 116 LYS CE C 42.817 0.061 . 1059 . 116 LYS CG C 25.715 0.029 . 1060 . 116 LYS HA H 3.865 0.018 . 1061 . 116 LYS HB2 H 1.415 0.000 . 1062 . 116 LYS HB3 H 2.043 0.014 . 1063 . 116 LYS HG2 H 1.385 0.022 . 1064 . 116 LYS H H 8.096 0.012 . 1065 . 116 LYS N N 115.937 0.077 . 1066 . 117 LEU C C 173.436 0.000 . 1067 . 117 LEU CA C 53.765 0.106 . 1068 . 117 LEU CB C 45.358 0.095 . 1069 . 117 LEU CD1 C 25.774 0.110 . 1070 . 117 LEU CD2 C 24.647 0.100 . 1071 . 117 LEU HA H 4.629 0.012 . 1072 . 117 LEU HB2 H 1.552 0.010 . 1073 . 117 LEU HB3 H 1.713 0.012 . 1074 . 117 LEU H H 7.273 0.012 . 1075 . 117 LEU N N 118.213 0.070 . 1076 . 117 LEU HD1 H 0.918 0.004 . 1077 . 117 LEU HD2 H 0.822 0.004 . 1078 . 118 VAL C C 172.702 0.000 . 1079 . 118 VAL CA C 58.467 0.101 . 1080 . 118 VAL CB C 35.553 0.183 . 1081 . 118 VAL CG1 C 23.426 0.118 . 1082 . 118 VAL CG2 C 22.895 0.075 . 1083 . 118 VAL HA H 4.261 0.009 . 1084 . 118 VAL HB H 1.073 0.013 . 1085 . 118 VAL H H 7.168 0.010 . 1086 . 118 VAL N N 123.234 0.091 . 1087 . 118 VAL HG1 H 0.574 0.009 . 1088 . 118 VAL HG2 H 0.581 0.006 . 1089 . 119 GLY C C 169.362 0.000 . 1090 . 119 GLY CA C 44.786 0.142 . 1091 . 119 GLY HA2 H 3.974 0.015 . 1092 . 119 GLY HA3 H 3.014 0.007 . 1093 . 119 GLY H H 6.831 0.009 . 1094 . 119 GLY N N 109.326 0.053 . 1095 . 120 ASN C C 175.213 0.000 . 1096 . 120 ASN CA C 53.960 0.067 . 1097 . 120 ASN CB C 44.690 0.113 . 1098 . 120 ASN HA H 5.370 0.017 . 1099 . 120 ASN HB2 H 2.159 0.014 . 1100 . 120 ASN HB3 H 3.698 0.007 . 1101 . 120 ASN H H 8.086 0.011 . 1102 . 120 ASN N N 110.745 0.100 . 1103 . 121 GLU CA C 54.308 0.099 . 1104 . 121 GLU CB C 30.257 0.000 . 1105 . 121 GLU HA H 4.800 0.020 . 1106 . 121 GLU H H 8.128 0.009 . 1107 . 121 GLU N N 111.663 0.042 . 1108 . 122 PRO C C 178.067 0.000 . 1109 . 122 PRO CA C 65.672 0.188 . 1110 . 122 PRO CB C 31.703 0.140 . 1111 . 122 PRO CD C 51.423 0.095 . 1112 . 122 PRO CG C 27.646 0.039 . 1113 . 122 PRO HA H 4.203 0.006 . 1114 . 122 PRO HB2 H 2.184 0.010 . 1115 . 122 PRO HB3 H 1.885 0.008 . 1116 . 122 PRO HD2 H 4.274 0.008 . 1117 . 122 PRO HD3 H 3.854 0.012 . 1118 . 122 PRO HG2 H 2.335 0.015 . 1119 . 123 ALA C C 180.169 0.000 . 1120 . 123 ALA CA C 55.253 0.170 . 1121 . 123 ALA CB C 18.845 0.110 . 1122 . 123 ALA HA H 4.143 0.017 . 1123 . 123 ALA H H 8.631 0.010 . 1124 . 123 ALA N N 117.289 0.060 . 1125 . 123 ALA HB H 1.466 0.013 . 1126 . 124 ASP C C 178.022 0.000 . 1127 . 124 ASP CA C 56.716 0.100 . 1128 . 124 ASP CB C 41.664 0.097 . 1129 . 124 ASP HA H 4.804 0.014 . 1130 . 124 ASP HB2 H 3.261 0.004 . 1131 . 124 ASP H H 7.200 0.011 . 1132 . 124 ASP N N 116.008 0.069 . 1133 . 125 ILE C C 179.032 0.000 . 1134 . 125 ILE CA C 65.163 0.083 . 1135 . 125 ILE CB C 36.723 0.082 . 1136 . 125 ILE CD1 C 14.635 0.125 . 1137 . 125 ILE CG1 C 27.853 0.109 . 1138 . 125 ILE CG2 C 17.420 0.072 . 1139 . 125 ILE HA H 2.835 0.016 . 1140 . 125 ILE HB H 1.912 0.010 . 1141 . 125 ILE HG12 H 0.458 0.009 . 1142 . 125 ILE HG13 H -0.946 0.015 . 1143 . 125 ILE H H 7.362 0.008 . 1144 . 125 ILE N N 122.997 0.064 . 1145 . 125 ILE HD1 H 0.152 0.007 . 1146 . 125 ILE HG2 H 0.417 0.009 . 1147 . 126 ASP C C 176.608 0.000 . 1148 . 126 ASP CA C 57.498 0.107 . 1149 . 126 ASP CB C 41.655 0.109 . 1150 . 126 ASP HA H 4.350 0.015 . 1151 . 126 ASP HB2 H 2.781 0.009 . 1152 . 126 ASP HB3 H 2.528 0.007 . 1153 . 126 ASP H H 7.449 0.008 . 1154 . 126 ASP N N 121.040 0.050 . 1155 . 127 LYS C C 177.919 0.000 . 1156 . 127 LYS CA C 59.776 0.126 . 1157 . 127 LYS CB C 33.754 0.102 . 1158 . 127 LYS CD C 29.520 0.081 . 1159 . 127 LYS CE C 41.983 0.039 . 1160 . 127 LYS CG C 24.693 0.106 . 1161 . 127 LYS HA H 3.688 0.013 . 1162 . 127 LYS HB2 H 1.556 0.000 . 1163 . 127 LYS HB3 H 1.243 0.003 . 1164 . 127 LYS HD2 H 1.437 0.015 . 1165 . 127 LYS HE2 H 2.788 0.011 . 1166 . 127 LYS HG2 H 1.088 0.008 . 1167 . 127 LYS HG3 H 0.575 0.016 . 1168 . 127 LYS H H 7.507 0.007 . 1169 . 127 LYS N N 114.918 0.081 . 1170 . 128 TYR C C 175.969 0.000 . 1171 . 128 TYR CA C 59.078 0.086 . 1172 . 128 TYR CB C 39.554 0.085 . 1173 . 128 TYR HA H 4.659 0.014 . 1174 . 128 TYR HB2 H 2.901 0.011 . 1175 . 128 TYR HB3 H 3.334 0.011 . 1176 . 128 TYR H H 8.136 0.010 . 1177 . 128 TYR N N 110.784 0.068 . 1178 . 128 TYR HD1 H 7.374 0.015 . 1179 . 128 TYR HE1 H 7.158 0.000 . 1180 . 129 ILE C C 176.624 0.000 . 1181 . 129 ILE CA C 62.840 0.109 . 1182 . 129 ILE CB C 38.647 0.101 . 1183 . 129 ILE CD1 C 14.349 0.114 . 1184 . 129 ILE CG2 C 17.893 0.096 . 1185 . 129 ILE HA H 4.132 0.010 . 1186 . 129 ILE HB H 1.841 0.011 . 1187 . 129 ILE HG12 H 0.831 0.010 . 1188 . 129 ILE HG13 H 1.095 0.014 . 1189 . 129 ILE H H 7.833 0.008 . 1190 . 129 ILE N N 116.841 0.073 . 1191 . 129 ILE HD1 H 0.383 0.008 . 1192 . 129 ILE HG2 H 0.227 0.010 . 1193 . 130 ILE C C 178.739 0.000 . 1194 . 130 ILE CA C 63.069 0.065 . 1195 . 130 ILE CB C 35.415 0.131 . 1196 . 130 ILE CD1 C 10.339 0.056 . 1197 . 130 ILE CG2 C 17.779 0.104 . 1198 . 130 ILE HA H 3.852 0.010 . 1199 . 130 ILE HB H 2.668 0.017 . 1200 . 130 ILE H H 8.006 0.009 . 1201 . 130 ILE N N 119.112 0.073 . 1202 . 130 ILE HD1 H 0.821 0.005 . 1203 . 130 ILE HG2 H 1.006 0.007 . 1204 . 131 GLN C C 175.746 0.000 . 1205 . 131 GLN CA C 56.264 0.091 . 1206 . 131 GLN CB C 27.990 0.033 . 1207 . 131 GLN CG C 33.918 0.075 . 1208 . 131 GLN HA H 4.194 0.011 . 1209 . 131 GLN HG2 H 2.331 0.011 . 1210 . 131 GLN H H 8.256 0.008 . 1211 . 131 GLN N N 115.825 0.080 . 1212 . 132 ARG C C 175.255 0.000 . 1213 . 132 ARG CA C 56.431 0.119 . 1214 . 132 ARG CB C 30.890 0.091 . 1215 . 132 ARG CD C 43.540 0.013 . 1216 . 132 ARG CG C 27.274 0.089 . 1217 . 132 ARG HA H 4.283 0.012 . 1218 . 132 ARG HB2 H 1.666 0.014 . 1219 . 132 ARG HB3 H 1.812 0.017 . 1220 . 132 ARG HD2 H 3.273 0.011 . 1221 . 132 ARG HG2 H 3.166 0.000 . 1222 . 132 ARG HG3 H 3.392 0.000 . 1223 . 132 ARG H H 7.093 0.008 . 1224 . 132 ARG N N 119.897 0.019 . 1225 . 133 LYS CA C 58.004 0.054 . 1226 . 133 LYS CB C 33.564 0.110 . 1227 . 133 LYS HA H 4.164 0.009 . 1228 . 133 LYS HB2 H 1.913 0.041 . 1229 . 133 LYS HB3 H 1.743 0.012 . 1230 . 133 LYS H H 8.123 0.010 . 1231 . 133 LYS N N 129.602 0.031 . stop_ save_