data_6356 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Yeast frataxin solution structure ; _BMRB_accession_number 6356 _BMRB_flat_file_name bmr6356.str _Entry_type new _Submission_date 2004-10-14 _Accession_date 2004-10-14 _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 He Y. . . 2 Alam S. A. . 3 Proteasa S. . . 4 Zhang Y. . . 5 Lesuisse E. . . 6 Dancis A. . . 7 Stemmler T. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 598 "13C chemical shifts" 510 "15N chemical shifts" 115 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-07-22 update BMRB 'update related entries' 2005-05-03 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 17068 'Yfh1 272K chemical shift assignment' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Yeast frataxin solution structure, iron binding and ferrochelatase interaction' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 15610019 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 He Yanan . . 2 Alam Steve A. . 3 Proteasa Simona V. . 4 Zhang Yan . . 5 Lesuisse Emmanual . . 6 Dancis Andy . . 7 Stemmler Timothy L. . stop_ _Journal_abbreviation Biochemistry _Journal_volume 43 _Journal_issue 51 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 16254 _Page_last 16262 _Year 2004 _Details . loop_ _Keyword Yfh1p NMR structure stop_ save_ ################################## # Molecular system description # ################################## save_system_Yfh1p _Saveframe_category molecular_system _Mol_system_name 'Yeast Frataxin homolog 1 protein' _Abbreviation_common Yfh1p _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Yfh1 monomer' $Yfh1_monomer stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'all free' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_Yfh1_monomer _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'Saccharomyces cerevisiae' _Abbreviation_common 'S. cerevisiae' _Molecular_mass 13783 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 123 _Mol_residue_sequence ; MESSTDGQVVPQEVLNLPLE KYHEEADDYLDHLLDSLEEL SEAHPDCIPDVELSHGVMTL EIPAFGTYVINKQPPNKQIW LASPLSGPNRFDLLNGEWVS LRNGTKLTDILTEEVEKAIS KSQ ; loop_ _Residue_seq_code _Residue_label 1 MET 2 GLU 3 SER 4 SER 5 THR 6 ASP 7 GLY 8 GLN 9 VAL 10 VAL 11 PRO 12 GLN 13 GLU 14 VAL 15 LEU 16 ASN 17 LEU 18 PRO 19 LEU 20 GLU 21 LYS 22 TYR 23 HIS 24 GLU 25 GLU 26 ALA 27 ASP 28 ASP 29 TYR 30 LEU 31 ASP 32 HIS 33 LEU 34 LEU 35 ASP 36 SER 37 LEU 38 GLU 39 GLU 40 LEU 41 SER 42 GLU 43 ALA 44 HIS 45 PRO 46 ASP 47 CYS 48 ILE 49 PRO 50 ASP 51 VAL 52 GLU 53 LEU 54 SER 55 HIS 56 GLY 57 VAL 58 MET 59 THR 60 LEU 61 GLU 62 ILE 63 PRO 64 ALA 65 PHE 66 GLY 67 THR 68 TYR 69 VAL 70 ILE 71 ASN 72 LYS 73 GLN 74 PRO 75 PRO 76 ASN 77 LYS 78 GLN 79 ILE 80 TRP 81 LEU 82 ALA 83 SER 84 PRO 85 LEU 86 SER 87 GLY 88 PRO 89 ASN 90 ARG 91 PHE 92 ASP 93 LEU 94 LEU 95 ASN 96 GLY 97 GLU 98 TRP 99 VAL 100 SER 101 LEU 102 ARG 103 ASN 104 GLY 105 THR 106 LYS 107 LEU 108 THR 109 ASP 110 ILE 111 LEU 112 THR 113 GLU 114 GLU 115 VAL 116 GLU 117 LYS 118 ALA 119 ILE 120 SER 121 LYS 122 SER 123 GLN stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2014-11-09 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value BMRB 17068 Yeast_frataxin_(Yfh1) 100.00 123 100.00 100.00 3.84e-83 BMRB 17641 Yfh1 100.00 123 100.00 100.00 3.84e-83 PDB 2FQL "Crystal Structure Of Trimeric Frataxin From The Yeast Saccharomyces Cerevisiae" 100.00 123 98.37 99.19 3.06e-81 PDB 2GA5 "Yeast Frataxin" 100.00 123 100.00 100.00 3.84e-83 PDB 3OEQ "Crystal Structure Of Trimeric Frataxin From The Yeast Saccharomyces Cerevisiae, With Full Length N-Terminus" 100.00 123 98.37 99.19 3.06e-81 PDB 3OER "Crystal Structure Of Trimeric Frataxin From The Yeast Saccharomyces Cerevisiae, Complexed With Cobalt" 100.00 123 98.37 99.19 3.06e-81 PDB 4EC2 "Crystal Structure Of Trimeric Frataxin From The Yeast Saccharomyces Cerevisiae, Complexed With Ferrous" 100.00 123 98.37 99.19 3.06e-81 DBJ GAA22128 "K7_Yfh1p [Saccharomyces cerevisiae Kyokai no. 7]" 100.00 174 99.19 100.00 2.68e-83 EMBL CAA98688 "YFH1 [Saccharomyces cerevisiae]" 100.00 174 99.19 100.00 2.68e-83 EMBL CAY78388 "Yfh1p [Saccharomyces cerevisiae EC1118]" 100.00 174 99.19 100.00 2.68e-83 GB AAS56486 "YDL120W [Saccharomyces cerevisiae]" 100.00 174 99.19 100.00 2.68e-83 GB AHY74893 "Yfh1p [Saccharomyces cerevisiae YJM993]" 100.00 174 99.19 100.00 2.68e-83 GB EDN60240 "conserved protein [Saccharomyces cerevisiae YJM789]" 100.00 174 99.19 100.00 2.68e-83 GB EDV08389 "hypothetical protein SCRG_00614 [Saccharomyces cerevisiae RM11-1a]" 100.00 174 99.19 100.00 2.68e-83 GB EDZ73347 "YDL120Wp-like protein [Saccharomyces cerevisiae AWRI1631]" 100.00 174 99.19 100.00 2.68e-83 REF NP_010163 "Yfh1p [Saccharomyces cerevisiae S288c]" 100.00 174 99.19 100.00 2.68e-83 SP Q07540 "RecName: Full=Frataxin homolog, mitochondrial; Contains: RecName: Full=Frataxin homolog intermediate form; Flags: Precursor [Sa" 100.00 174 99.19 100.00 2.68e-83 TPG DAA11740 "TPA: Yfh1p [Saccharomyces cerevisiae S288c]" 100.00 174 99.19 100.00 2.68e-83 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $Yfh1_monomer '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 $Yfh1_monomer 'recombinant technology' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Yfh1_monomer 1 mM . 'sodium phosphate buffer' 5 mM . DTT 2 mM . H2O 90 % . D2O 10 % . stop_ save_ ############################ # Computer software used # ############################ save_VNMR _Saveframe_category software _Name VNMR _Version 6.1 loop_ _Task collection stop_ _Details 'Varian company' save_ save_FELIX _Saveframe_category software _Name FELIX _Version 950 loop_ _Task processing stop_ _Details 'MSI company' save_ save_DYANA _Saveframe_category software _Name DYANA _Version 1.5 loop_ _Task 'structure solution' stop_ _Details 'P. Guntert et al' save_ save_CNS _Saveframe_category software _Name CNS _Version 1.1 loop_ _Task refinement stop_ _Details 'A. T. Brunger et al' save_ save_XEASY _Saveframe_category software _Name XEASY _Version 1.3.13 loop_ _Task 'data analysis' stop_ _Details 'C. H. Bartels et al' save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 720 _Details . save_ ############################# # NMR applied experiments # ############################# save_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name HSQC _Sample_label . save_ save_HNCACB_2 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _Sample_label . save_ save_CBCACONH_3 _Saveframe_category NMR_applied_experiment _Experiment_name CBCACONH _Sample_label . save_ save_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _Sample_label . save_ save_HCCONH-TOCSY_5 _Saveframe_category NMR_applied_experiment _Experiment_name HCCONH-TOCSY _Sample_label . save_ save_CCONH-TOCSY_6 _Saveframe_category NMR_applied_experiment _Experiment_name CCONH-TOCSY _Sample_label . save_ save_HCCH-TOCSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-TOCSY _Sample_label . save_ save_2D-1H/1H_NOESY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '2D-1H/1H NOESY' _Sample_label . save_ save_3D_15N-seperated_NOESY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-seperated NOESY' _Sample_label . save_ save_3D_13C-seperated_NOESY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-seperated NOESY' _Sample_label . save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name HSQC _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_3 _Saveframe_category NMR_applied_experiment _Experiment_name CBCACONH _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 HCCONH-TOCSY _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_6 _Saveframe_category NMR_applied_experiment _Experiment_name CCONH-TOCSY _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 '2D-1H/1H NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-seperated NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-seperated NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 7 0.1 n/a temperature 298 0.05 K 'ionic strength' 25 . mM stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chemical_shift_set_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'Yfh1 monomer' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 . 1 MET H H 8.233 0.009 . 2 . 1 MET CA C 56.011 0.385 . 3 . 1 MET HA H 4.311 0.036 . 4 . 1 MET CB C 29.990 0.363 . 5 . 1 MET HB2 H 2.060 0.028 . 6 . 1 MET CG C 36.149 0.209 . 7 . 1 MET HG2 H 2.321 0.098 . 8 . 1 MET C C 176.070 0.000 . 9 . 2 GLU N N 123.400 0.202 . 10 . 2 GLU H H 8.495 0.009 . 11 . 2 GLU CA C 56.476 0.177 . 12 . 2 GLU HA H 4.271 0.033 . 13 . 2 GLU CB C 30.570 0.159 . 14 . 2 GLU HB2 H 2.084 0.058 . 15 . 2 GLU HB3 H 1.957 0.045 . 16 . 2 GLU CG C 36.212 0.040 . 17 . 2 GLU HG2 H 2.329 0.031 . 18 . 2 GLU C C 176.301 0.000 . 19 . 3 SER N N 118.446 0.043 . 20 . 3 SER H H 8.485 0.036 . 21 . 3 SER CA C 58.040 0.321 . 22 . 3 SER HA H 4.314 0.084 . 23 . 3 SER CB C 63.953 0.225 . 24 . 3 SER HB2 H 3.975 0.040 . 25 . 3 SER C C 179.682 0.000 . 26 . 4 SER N N 118.956 0.164 . 27 . 4 SER H H 8.460 0.011 . 28 . 4 SER CA C 58.444 0.034 . 29 . 4 SER HA H 4.525 0.065 . 30 . 4 SER CB C 63.634 0.373 . 31 . 4 SER HB2 H 3.947 0.048 . 32 . 4 SER C C 177.560 0.000 . 33 . 5 THR N N 116.449 0.077 . 34 . 5 THR H H 8.280 0.015 . 35 . 5 THR CA C 61.662 0.178 . 36 . 5 THR HA H 4.402 0.047 . 37 . 5 THR CB C 69.733 0.190 . 38 . 5 THR HB H 4.104 0.069 . 39 . 5 THR HG2 H 1.280 0.026 . 40 . 5 THR CG2 C 22.020 0.372 . 41 . 5 THR C C 176.843 0.000 . 42 . 6 ASP N N 123.800 0.227 . 43 . 6 ASP H H 8.265 0.011 . 44 . 6 ASP CA C 54.668 0.112 . 45 . 6 ASP HA H 4.598 0.049 . 46 . 6 ASP CB C 41.291 0.254 . 47 . 6 ASP HB2 H 2.712 0.051 . 48 . 6 ASP C C 176.851 0.000 . 49 . 7 GLY N N 110.480 0.005 . 50 . 7 GLY H H 8.333 0.008 . 51 . 7 GLY CA C 45.538 0.019 . 52 . 7 GLY HA2 H 3.944 0.017 . 53 . 7 GLY HA3 H 3.213 0.007 . 54 . 7 GLY C C 176.412 0.000 . 55 . 8 GLN N N 120.974 0.031 . 56 . 8 GLN H H 8.133 0.010 . 57 . 8 GLN CA C 55.854 0.308 . 58 . 8 GLN HA H 4.350 0.016 . 59 . 8 GLN CB C 29.976 0.230 . 60 . 8 GLN HB2 H 2.107 0.045 . 61 . 8 GLN HB3 H 1.965 0.051 . 62 . 8 GLN CG C 33.902 0.015 . 63 . 8 GLN HG2 H 2.392 0.078 . 64 . 8 GLN HG3 H 2.352 0.038 . 65 . 8 GLN C C 175.874 0.000 . 66 . 9 VAL N N 123.554 0.052 . 67 . 9 VAL H H 8.224 0.007 . 68 . 9 VAL CA C 62.499 0.235 . 69 . 9 VAL HA H 4.139 0.036 . 70 . 9 VAL CB C 32.598 0.307 . 71 . 9 VAL HB H 2.103 0.054 . 72 . 9 VAL HG1 H 1.021 0.025 . 73 . 9 VAL HG2 H 0.944 0.022 . 74 . 9 VAL CG1 C 21.424 0.278 . 75 . 9 VAL CG2 C 20.552 0.240 . 76 . 9 VAL C C 174.902 0.000 . 77 . 10 VAL N N 124.132 0.134 . 78 . 10 VAL H H 7.954 0.012 . 79 . 10 VAL CA C 58.836 0.136 . 80 . 10 VAL HA H 4.193 0.250 . 81 . 10 VAL CB C 33.604 0.538 . 82 . 10 VAL HB H 2.071 0.051 . 83 . 10 VAL HG1 H 0.990 0.045 . 84 . 10 VAL HG2 H 0.901 0.069 . 85 . 10 VAL CG1 C 21.559 0.208 . 86 . 10 VAL CG2 C 20.831 0.000 . 87 . 11 PRO CD C 50.800 0.172 . 88 . 11 PRO CA C 63.091 0.036 . 89 . 11 PRO HA H 4.483 0.016 . 90 . 11 PRO CB C 32.431 0.087 . 91 . 11 PRO HB2 H 2.432 0.050 . 92 . 11 PRO CG C 26.922 0.409 . 93 . 11 PRO HG2 H 2.096 0.028 . 94 . 11 PRO HG3 H 1.976 0.039 . 95 . 11 PRO HD2 H 3.922 0.044 . 96 . 11 PRO HD3 H 3.707 0.035 . 97 . 11 PRO C C 177.560 0.000 . 98 . 12 GLN N N 124.478 0.078 . 99 . 12 GLN H H 8.812 0.007 . 100 . 12 GLN CA C 58.113 0.084 . 101 . 12 GLN HA H 4.016 0.034 . 102 . 12 GLN CB C 28.940 0.177 . 103 . 12 GLN HB2 H 2.091 0.019 . 104 . 12 GLN CG C 33.761 0.000 . 105 . 12 GLN HG2 H 2.449 0.026 . 106 . 12 GLN C C 176.895 0.000 . 107 . 13 GLU N N 119.645 0.028 . 108 . 13 GLU H H 9.114 0.015 . 109 . 13 GLU CA C 58.629 0.078 . 110 . 13 GLU HA H 4.145 0.016 . 111 . 13 GLU CB C 29.631 0.078 . 112 . 13 GLU HB2 H 2.049 0.052 . 113 . 13 GLU CG C 36.700 0.266 . 114 . 13 GLU HG2 H 2.330 0.013 . 115 . 13 GLU C C 177.927 0.000 . 116 . 14 VAL N N 121.211 0.024 . 117 . 14 VAL H H 7.615 0.015 . 118 . 14 VAL CA C 64.225 0.183 . 119 . 14 VAL HA H 4.033 0.027 . 120 . 14 VAL CB C 32.627 0.431 . 121 . 14 VAL HB H 2.134 0.022 . 122 . 14 VAL HG1 H 1.029 0.024 . 123 . 14 VAL HG2 H 0.987 0.019 . 124 . 14 VAL CG1 C 21.513 0.159 . 125 . 14 VAL CG2 C 21.171 0.077 . 126 . 14 VAL C C 177.507 0.000 . 127 . 15 LEU N N 123.862 0.026 . 128 . 15 LEU H H 7.845 0.012 . 129 . 15 LEU CA C 56.829 0.096 . 130 . 15 LEU HA H 4.239 0.112 . 131 . 15 LEU CB C 42.051 0.196 . 132 . 15 LEU HB2 H 1.712 0.031 . 133 . 15 LEU HB3 H 1.561 0.024 . 134 . 15 LEU CG C 26.738 0.002 . 135 . 15 LEU HG H 1.640 0.030 . 136 . 15 LEU HD1 H 1.001 0.019 . 137 . 15 LEU HD2 H 0.888 0.028 . 138 . 15 LEU CD1 C 25.324 0.194 . 139 . 15 LEU CD2 C 23.392 0.076 . 140 . 15 LEU C C 177.552 0.000 . 141 . 16 ASN N N 116.827 0.000 . 142 . 16 ASN H H 8.176 0.010 . 143 . 16 ASN CA C 53.145 0.219 . 144 . 16 ASN HA H 4.541 0.128 . 145 . 16 ASN CB C 38.788 0.080 . 146 . 16 ASN HB2 H 2.923 0.008 . 147 . 16 ASN HB3 H 2.723 0.018 . 148 . 16 ASN C C 174.797 0.000 . 149 . 17 LEU N N 126.579 0.019 . 150 . 17 LEU H H 7.510 0.013 . 151 . 17 LEU CA C 53.200 0.331 . 152 . 17 LEU HA H 4.551 0.111 . 153 . 17 LEU CB C 42.906 0.018 . 154 . 17 LEU HB2 H 1.842 0.130 . 155 . 17 LEU CG C 26.957 0.101 . 156 . 17 LEU HG H 1.632 0.020 . 157 . 17 LEU HD1 H 0.998 0.033 . 158 . 17 LEU HD2 H 0.913 0.045 . 159 . 17 LEU CD1 C 25.461 0.311 . 160 . 17 LEU CD2 C 24.737 0.174 . 161 . 18 PRO CD C 50.709 0.328 . 162 . 18 PRO CA C 62.972 0.121 . 163 . 18 PRO HA H 4.556 0.074 . 164 . 18 PRO CB C 32.442 0.391 . 165 . 18 PRO HB2 H 2.518 0.116 . 166 . 18 PRO CG C 27.824 0.093 . 167 . 18 PRO HG2 H 2.180 0.023 . 168 . 18 PRO HG3 H 2.035 0.031 . 169 . 18 PRO HD2 H 3.863 0.057 . 170 . 18 PRO HD3 H 3.629 0.055 . 171 . 18 PRO C C 178.189 0.000 . 172 . 19 LEU N N 127.694 0.067 . 173 . 19 LEU H H 9.041 0.007 . 174 . 19 LEU CA C 58.153 0.349 . 175 . 19 LEU HA H 4.571 0.067 . 176 . 19 LEU CB C 42.206 0.079 . 177 . 19 LEU HB2 H 1.855 0.081 . 178 . 19 LEU HB3 H 1.689 0.093 . 179 . 19 LEU CG C 27.268 0.133 . 180 . 19 LEU HG H 1.644 0.077 . 181 . 19 LEU HD1 H 0.947 0.038 . 182 . 19 LEU HD2 H 0.868 0.045 . 183 . 19 LEU CD1 C 25.195 0.041 . 184 . 19 LEU CD2 C 23.638 0.035 . 185 . 19 LEU C C 178.171 0.000 . 186 . 20 GLU N N 117.338 0.048 . 187 . 20 GLU H H 9.578 0.018 . 188 . 20 GLU CA C 60.334 0.107 . 189 . 20 GLU HA H 4.312 0.041 . 190 . 20 GLU CB C 28.825 0.245 . 191 . 20 GLU HB2 H 2.102 0.040 . 192 . 20 GLU CG C 36.600 0.000 . 193 . 20 GLU HG2 H 2.422 0.046 . 194 . 20 GLU C C 179.081 0.000 . 195 . 21 LYS N N 121.330 0.024 . 196 . 21 LYS H H 6.988 0.026 . 197 . 21 LYS CA C 57.191 0.332 . 198 . 21 LYS HA H 4.381 0.021 . 199 . 21 LYS CB C 32.202 0.274 . 200 . 21 LYS HB2 H 2.023 0.029 . 201 . 21 LYS CG C 24.655 0.165 . 202 . 21 LYS HG2 H 1.469 0.052 . 203 . 21 LYS CD C 28.714 0.192 . 204 . 21 LYS HD2 H 1.696 0.019 . 205 . 21 LYS CE C 42.056 0.000 . 206 . 21 LYS HE2 H 2.928 0.125 . 207 . 21 LYS C C 177.734 0.000 . 208 . 22 TYR N N 120.464 0.010 . 209 . 22 TYR H H 8.244 0.012 . 210 . 22 TYR CA C 61.982 0.161 . 211 . 22 TYR HA H 4.043 0.011 . 212 . 22 TYR CB C 36.209 0.165 . 213 . 22 TYR HB2 H 3.387 0.046 . 214 . 22 TYR HB3 H 3.021 0.031 . 215 . 22 TYR CD1 C 133.045 0.000 . 216 . 22 TYR HD1 H 7.060 0.011 . 217 . 22 TYR CE1 C 120.461 0.000 . 218 . 22 TYR HE1 H 7.276 0.009 . 219 . 22 TYR CE2 C 117.897 0.000 . 220 . 22 TYR HE2 H 7.135 0.019 . 221 . 22 TYR CD2 C 128.151 0.000 . 222 . 22 TYR HD2 H 6.953 0.005 . 223 . 22 TYR C C 175.794 0.000 . 224 . 23 HIS N N 119.164 0.027 . 225 . 23 HIS H H 8.325 0.040 . 226 . 23 HIS CA C 61.382 0.136 . 227 . 23 HIS HA H 3.912 0.056 . 228 . 23 HIS CB C 30.875 0.179 . 229 . 23 HIS HB2 H 3.125 0.105 . 230 . 23 HIS HB3 H 2.720 0.077 . 231 . 23 HIS HD1 H 7.973 0.000 . 232 . 23 HIS HD2 H 7.808 0.000 . 233 . 23 HIS C C 177.052 0.000 . 234 . 24 GLU N N 118.675 0.006 . 235 . 24 GLU H H 7.550 0.013 . 236 . 24 GLU CA C 59.627 0.158 . 237 . 24 GLU HA H 4.161 0.111 . 238 . 24 GLU CB C 30.103 0.158 . 239 . 24 GLU HB2 H 2.190 0.051 . 240 . 24 GLU HB3 H 2.074 0.060 . 241 . 24 GLU CG C 36.245 0.000 . 242 . 24 GLU HG2 H 2.444 0.072 . 243 . 24 GLU C C 179.693 0.000 . 244 . 25 GLU N N 118.800 0.022 . 245 . 25 GLU H H 8.463 0.011 . 246 . 25 GLU CA C 59.054 0.199 . 247 . 25 GLU HA H 4.305 0.017 . 248 . 25 GLU CB C 30.169 0.302 . 249 . 25 GLU HB2 H 2.058 0.029 . 250 . 25 GLU CG C 36.049 0.001 . 251 . 25 GLU HG2 H 2.460 0.028 . 252 . 25 GLU HG3 H 2.279 0.043 . 253 . 25 GLU C C 180.112 0.000 . 254 . 26 ALA N N 125.057 0.012 . 255 . 26 ALA H H 9.202 0.012 . 256 . 26 ALA CA C 55.580 0.150 . 257 . 26 ALA HA H 3.877 0.016 . 258 . 26 ALA HB H 0.827 0.022 . 259 . 26 ALA CB C 17.806 0.063 . 260 . 26 ALA C C 178.539 0.000 . 261 . 27 ASP N N 119.521 0.012 . 262 . 27 ASP H H 8.693 0.021 . 263 . 27 ASP CA C 57.941 0.345 . 264 . 27 ASP HA H 4.336 0.060 . 265 . 27 ASP CB C 39.001 0.008 . 266 . 27 ASP HB2 H 2.877 0.034 . 267 . 27 ASP HB3 H 2.654 0.022 . 268 . 27 ASP C C 179.255 0.000 . 269 . 28 ASP N N 121.565 0.000 . 270 . 28 ASP H H 7.937 0.013 . 271 . 28 ASP CA C 57.833 0.158 . 272 . 28 ASP HA H 4.396 0.006 . 273 . 28 ASP CB C 41.939 0.104 . 274 . 28 ASP HB2 H 2.762 0.018 . 275 . 28 ASP C C 178.661 0.000 . 276 . 29 TYR N N 122.389 0.001 . 277 . 29 TYR H H 8.280 0.012 . 278 . 29 TYR CA C 62.027 0.269 . 279 . 29 TYR HA H 3.541 0.048 . 280 . 29 TYR CB C 38.543 0.083 . 281 . 29 TYR HB2 H 3.052 0.036 . 282 . 29 TYR HB3 H 2.904 0.017 . 283 . 29 TYR CD1 C 132.346 0.000 . 284 . 29 TYR HD1 H 7.099 0.019 . 285 . 29 TYR CE1 C 113.935 0.000 . 286 . 29 TYR HE1 H 7.346 0.030 . 287 . 29 TYR CE2 C 114.634 0.000 . 288 . 29 TYR HE2 H 7.086 0.005 . 289 . 29 TYR CD2 C 113.003 0.000 . 290 . 29 TYR HD2 H 6.804 0.003 . 291 . 29 TYR C C 178.539 0.000 . 292 . 30 LEU N N 120.642 0.075 . 293 . 30 LEU H H 8.608 0.014 . 294 . 30 LEU CA C 58.514 0.288 . 295 . 30 LEU HA H 4.075 0.136 . 296 . 30 LEU CB C 41.897 0.330 . 297 . 30 LEU HB2 H 1.649 0.035 . 298 . 30 LEU HB3 H 1.486 0.035 . 299 . 30 LEU CG C 26.742 0.019 . 300 . 30 LEU HG H 1.608 0.033 . 301 . 30 LEU HD1 H 0.985 0.030 . 302 . 30 LEU HD2 H 0.872 0.033 . 303 . 30 LEU CD1 C 24.879 0.020 . 304 . 30 LEU CD2 C 23.627 0.008 . 305 . 30 LEU C C 177.245 0.000 . 306 . 31 ASP N N 121.192 0.061 . 307 . 31 ASP H H 8.075 0.014 . 308 . 31 ASP CA C 57.641 0.041 . 309 . 31 ASP HA H 4.390 0.043 . 310 . 31 ASP CB C 40.675 0.072 . 311 . 31 ASP HB2 H 2.728 0.013 . 312 . 31 ASP HB3 H 2.541 0.025 . 313 . 31 ASP C C 179.116 0.000 . 314 . 32 HIS N N 118.544 0.028 . 315 . 32 HIS H H 7.748 0.029 . 316 . 32 HIS CA C 59.008 0.026 . 317 . 32 HIS HA H 4.364 0.015 . 318 . 32 HIS CB C 27.875 0.010 . 319 . 32 HIS HB2 H 3.222 0.021 . 320 . 32 HIS HD2 H 7.297 0.002 . 321 . 32 HIS C C 176.211 0.000 . 322 . 33 LEU N N 125.068 0.029 . 323 . 33 LEU H H 8.448 0.033 . 324 . 33 LEU CA C 57.555 0.180 . 325 . 33 LEU HA H 4.253 0.046 . 326 . 33 LEU CB C 41.949 0.195 . 327 . 33 LEU HB2 H 1.604 0.051 . 328 . 33 LEU CG C 26.737 0.000 . 329 . 33 LEU HG H 1.594 0.126 . 330 . 33 LEU HD1 H 0.930 0.053 . 331 . 33 LEU HD2 H 0.856 0.039 . 332 . 33 LEU CD1 C 24.949 0.199 . 333 . 33 LEU CD2 C 22.866 0.281 . 334 . 33 LEU C C 178.434 0.000 . 335 . 34 LEU N N 121.809 0.014 . 336 . 34 LEU H H 8.493 0.016 . 337 . 34 LEU CA C 58.716 0.069 . 338 . 34 LEU HA H 3.861 0.012 . 339 . 34 LEU CB C 41.091 0.144 . 340 . 34 LEU HB2 H 2.036 0.122 . 341 . 34 LEU CG C 27.047 0.000 . 342 . 34 LEU HG H 1.587 0.074 . 343 . 34 LEU HD1 H 0.947 0.057 . 344 . 34 LEU HD2 H 0.858 0.051 . 345 . 34 LEU CD1 C 25.611 0.305 . 346 . 34 LEU CD2 C 23.633 0.017 . 347 . 34 LEU C C 178.032 0.000 . 348 . 35 ASP N N 118.801 0.031 . 349 . 35 ASP H H 7.477 0.021 . 350 . 35 ASP CA C 57.868 0.093 . 351 . 35 ASP HA H 4.324 0.005 . 352 . 35 ASP CB C 40.702 0.029 . 353 . 35 ASP HB2 H 2.784 0.013 . 354 . 35 ASP HB3 H 2.708 0.009 . 355 . 35 ASP C C 179.290 0.000 . 356 . 36 SER N N 116.039 0.062 . 357 . 36 SER H H 7.865 0.011 . 358 . 36 SER CA C 61.691 0.093 . 359 . 36 SER HA H 4.282 0.038 . 360 . 36 SER CB C 62.573 0.472 . 361 . 36 SER HB2 H 3.967 0.017 . 362 . 36 SER HB3 H 3.887 0.019 . 363 . 36 SER C C 177.297 0.000 . 364 . 37 LEU N N 124.339 0.015 . 365 . 37 LEU H H 8.676 0.010 . 366 . 37 LEU CA C 57.650 0.071 . 367 . 37 LEU HA H 4.236 0.043 . 368 . 37 LEU CB C 42.341 0.084 . 369 . 37 LEU HB2 H 1.982 0.012 . 370 . 37 LEU HB3 H 1.821 0.067 . 371 . 37 LEU CG C 26.834 0.433 . 372 . 37 LEU HG H 1.197 0.028 . 373 . 37 LEU HD1 H 0.977 0.024 . 374 . 37 LEU HD2 H 0.841 0.051 . 375 . 37 LEU CD1 C 22.402 0.220 . 376 . 37 LEU CD2 C 21.916 0.088 . 377 . 37 LEU C C 179.203 0.000 . 378 . 38 GLU N N 122.558 0.064 . 379 . 38 GLU H H 9.252 0.014 . 380 . 38 GLU CA C 59.955 0.145 . 381 . 38 GLU HA H 4.093 0.045 . 382 . 38 GLU CB C 29.015 0.143 . 383 . 38 GLU HB2 H 2.216 0.040 . 384 . 38 GLU CG C 36.442 0.104 . 385 . 38 GLU HG2 H 2.502 0.049 . 386 . 38 GLU C C 179.832 0.000 . 387 . 39 GLU N N 120.848 0.021 . 388 . 39 GLU H H 7.585 0.013 . 389 . 39 GLU CA C 59.701 0.115 . 390 . 39 GLU HA H 4.092 0.017 . 391 . 39 GLU CB C 29.492 0.144 . 392 . 39 GLU HB2 H 2.196 0.014 . 393 . 39 GLU CG C 36.222 0.094 . 394 . 39 GLU HG2 H 2.448 0.021 . 395 . 39 GLU C C 179.920 0.000 . 396 . 40 LEU N N 121.687 0.004 . 397 . 40 LEU H H 7.541 0.019 . 398 . 40 LEU CA C 58.041 0.119 . 399 . 40 LEU HA H 4.261 0.066 . 400 . 40 LEU CB C 42.704 0.013 . 401 . 40 LEU HB2 H 1.891 0.099 . 402 . 40 LEU HB3 H 1.713 0.113 . 403 . 40 LEU CG C 26.937 0.093 . 404 . 40 LEU HG H 1.522 0.104 . 405 . 40 LEU HD1 H 0.990 0.017 . 406 . 40 LEU HD2 H 0.877 0.038 . 407 . 40 LEU CD1 C 25.240 0.059 . 408 . 40 LEU CD2 C 23.672 0.055 . 409 . 40 LEU C C 178.609 0.000 . 410 . 41 SER N N 115.544 0.016 . 411 . 41 SER H H 8.586 0.013 . 412 . 41 SER CA C 60.708 0.133 . 413 . 41 SER HA H 4.255 0.012 . 414 . 41 SER CB C 63.739 0.084 . 415 . 41 SER HB2 H 3.976 0.017 . 416 . 41 SER C C 176.381 0.000 . 417 . 42 GLU N N 118.556 0.011 . 418 . 42 GLU H H 7.908 0.022 . 419 . 42 GLU CA C 58.705 0.026 . 420 . 42 GLU HA H 4.003 0.017 . 421 . 42 GLU CB C 29.297 0.167 . 422 . 42 GLU HB2 H 2.082 0.028 . 423 . 42 GLU CG C 36.359 0.005 . 424 . 42 GLU HG2 H 2.443 0.025 . 425 . 42 GLU HG3 H 2.265 0.048 . 426 . 42 GLU C C 178.626 0.000 . 427 . 43 ALA N N 119.868 0.036 . 428 . 43 ALA H H 7.305 0.015 . 429 . 43 ALA CA C 53.458 0.036 . 430 . 43 ALA HA H 4.149 0.023 . 431 . 43 ALA HB H 1.277 0.038 . 432 . 43 ALA CB C 19.579 0.017 . 433 . 43 ALA C C 177.874 0.000 . 434 . 44 HIS N N 115.786 0.016 . 435 . 44 HIS H H 7.995 0.012 . 436 . 44 HIS CA C 52.931 0.089 . 437 . 44 HIS HA H 4.262 0.021 . 438 . 44 HIS CB C 29.395 0.088 . 439 . 44 HIS HB2 H 3.098 0.009 . 440 . 44 HIS HD1 H 7.632 0.000 . 441 . 44 HIS HD2 H 7.174 0.014 . 442 . 45 PRO CD C 51.315 0.378 . 443 . 45 PRO CA C 65.547 0.085 . 444 . 45 PRO HA H 4.528 0.030 . 445 . 45 PRO CB C 31.738 0.238 . 446 . 45 PRO HB2 H 2.399 0.017 . 447 . 45 PRO CG C 27.072 0.034 . 448 . 45 PRO HG2 H 2.100 0.022 . 449 . 45 PRO HG3 H 1.985 0.022 . 450 . 45 PRO HD2 H 3.911 0.025 . 451 . 45 PRO HD3 H 3.679 0.061 . 452 . 45 PRO C C 177.752 0.000 . 453 . 46 ASP N N 115.507 0.113 . 454 . 46 ASP H H 8.745 0.021 . 455 . 46 ASP CA C 54.966 0.069 . 456 . 46 ASP HA H 4.392 0.014 . 457 . 46 ASP CB C 39.599 0.086 . 458 . 46 ASP HB2 H 2.758 0.011 . 459 . 46 ASP HB3 H 2.657 0.032 . 460 . 46 ASP C C 177.070 0.000 . 461 . 47 CYS N N 118.915 0.005 . 462 . 47 CYS H H 7.662 0.017 . 463 . 47 CYS CA C 60.170 0.096 . 464 . 47 CYS HA H 4.453 0.046 . 465 . 47 CYS CB C 29.213 0.017 . 466 . 47 CYS HB2 H 2.888 0.016 . 467 . 47 CYS HB3 H 2.639 0.022 . 468 . 47 CYS C C 174.290 0.000 . 469 . 48 ILE N N 115.902 0.000 . 470 . 48 ILE H H 7.655 0.014 . 471 . 48 ILE CA C 58.084 0.087 . 472 . 48 ILE HA H 5.020 0.011 . 473 . 48 ILE CB C 39.578 0.000 . 474 . 48 ILE HB H 1.763 0.010 . 475 . 48 ILE HG2 H 0.931 0.049 . 476 . 48 ILE CG2 C 17.413 0.000 . 477 . 48 ILE CG1 C 26.737 0.000 . 478 . 48 ILE HG12 H 1.267 0.051 . 479 . 48 ILE HD1 H 0.805 0.065 . 480 . 48 ILE CD1 C 12.750 0.000 . 481 . 49 PRO CD C 50.748 0.417 . 482 . 49 PRO CA C 64.412 0.076 . 483 . 49 PRO HA H 4.314 0.141 . 484 . 49 PRO CB C 32.654 0.144 . 485 . 49 PRO HB2 H 2.400 0.012 . 486 . 49 PRO CG C 27.317 0.091 . 487 . 49 PRO HG2 H 2.043 0.047 . 488 . 49 PRO HD2 H 3.904 0.018 . 489 . 49 PRO HD3 H 3.691 0.023 . 490 . 49 PRO C C 176.860 0.000 . 491 . 50 ASP N N 113.989 0.215 . 492 . 50 ASP H H 6.857 0.014 . 493 . 50 ASP CA C 54.431 0.169 . 494 . 50 ASP HA H 4.596 0.058 . 495 . 50 ASP CB C 44.918 0.185 . 496 . 50 ASP HB2 H 2.616 0.089 . 497 . 50 ASP C C 177.249 0.000 . 498 . 51 VAL N N 122.770 0.000 . 499 . 51 VAL H H 8.053 0.017 . 500 . 51 VAL CA C 60.544 0.126 . 501 . 51 VAL HA H 4.880 0.013 . 502 . 51 VAL CB C 33.825 0.354 . 503 . 51 VAL HB H 2.047 0.051 . 504 . 51 VAL HG1 H 1.018 0.051 . 505 . 51 VAL HG2 H 0.890 0.047 . 506 . 51 VAL CG1 C 21.580 0.362 . 507 . 51 VAL CG2 C 19.958 0.188 . 508 . 51 VAL C C 172.909 0.000 . 509 . 52 GLU N N 126.821 0.111 . 510 . 52 GLU H H 8.520 0.018 . 511 . 52 GLU CA C 55.517 0.226 . 512 . 52 GLU HA H 4.619 0.045 . 513 . 52 GLU CB C 33.678 0.038 . 514 . 52 GLU HB2 H 2.030 0.017 . 515 . 52 GLU HB3 H 1.912 0.015 . 516 . 52 GLU CG C 35.856 0.000 . 517 . 52 GLU HG2 H 2.229 0.020 . 518 . 52 GLU C C 173.328 0.000 . 519 . 53 LEU N N 126.965 0.103 . 520 . 53 LEU H H 8.811 0.013 . 521 . 53 LEU CA C 54.033 0.105 . 522 . 53 LEU HA H 5.179 0.014 . 523 . 53 LEU CB C 46.256 0.014 . 524 . 53 LEU HB2 H 1.958 0.016 . 525 . 53 LEU CG C 26.618 0.069 . 526 . 53 LEU HG H 1.593 0.099 . 527 . 53 LEU HD1 H 0.968 0.026 . 528 . 53 LEU HD2 H 0.869 0.033 . 529 . 53 LEU CD1 C 23.522 0.087 . 530 . 53 LEU CD2 C 23.300 0.047 . 531 . 53 LEU C C 175.147 0.000 . 532 . 54 SER N N 121.428 0.001 . 533 . 54 SER H H 8.712 0.017 . 534 . 54 SER CA C 57.816 0.410 . 535 . 54 SER HA H 4.530 0.037 . 536 . 54 SER CB C 64.491 0.285 . 537 . 54 SER HB2 H 3.760 0.040 . 538 . 54 SER HB3 H 3.675 0.011 . 539 . 54 SER C C 174.517 0.000 . 540 . 55 HIS N N 123.964 0.032 . 541 . 55 HIS H H 8.354 0.029 . 542 . 55 HIS CA C 57.238 0.132 . 543 . 55 HIS HA H 4.301 0.008 . 544 . 55 HIS CB C 28.008 0.040 . 545 . 55 HIS HB2 H 2.981 0.020 . 546 . 55 HIS HD2 H 7.772 0.005 . 547 . 55 HIS C C 175.444 0.000 . 548 . 56 GLY N N 105.675 0.042 . 549 . 56 GLY H H 8.816 0.010 . 550 . 56 GLY CA C 46.404 0.020 . 551 . 56 GLY HA2 H 3.945 0.087 . 552 . 56 GLY HA3 H 3.659 0.092 . 553 . 56 GLY C C 172.052 0.000 . 554 . 57 VAL N N 120.009 0.032 . 555 . 57 VAL H H 7.785 0.016 . 556 . 57 VAL CA C 61.862 0.126 . 557 . 57 VAL HA H 4.344 0.121 . 558 . 57 VAL CB C 33.501 0.175 . 559 . 57 VAL HB H 2.160 0.072 . 560 . 57 VAL HG1 H 1.019 0.025 . 561 . 57 VAL HG2 H 0.931 0.049 . 562 . 57 VAL CG1 C 21.479 0.488 . 563 . 57 VAL CG2 C 21.382 0.284 . 564 . 57 VAL C C 174.919 0.000 . 565 . 58 MET N N 134.356 0.050 . 566 . 58 MET H H 10.154 0.009 . 567 . 58 MET CA C 53.072 0.167 . 568 . 58 MET HA H 3.893 0.038 . 569 . 58 MET CB C 36.034 0.041 . 570 . 58 MET HB2 H 2.271 0.024 . 571 . 58 MET CG C 31.111 0.176 . 572 . 58 MET HG2 H 2.310 0.024 . 573 . 58 MET C C 174.587 0.000 . 574 . 59 THR N N 123.135 0.009 . 575 . 59 THR H H 8.964 0.009 . 576 . 59 THR CA C 58.577 0.218 . 577 . 59 THR HA H 4.488 0.038 . 578 . 59 THR CB C 64.015 0.177 . 579 . 59 THR HB H 3.916 0.040 . 580 . 59 THR HG2 H 0.964 0.043 . 581 . 59 THR CG2 C 21.041 0.233 . 582 . 59 THR C C 175.864 0.000 . 583 . 60 LEU N N 125.173 0.098 . 584 . 60 LEU H H 8.204 0.029 . 585 . 60 LEU CA C 55.792 0.374 . 586 . 60 LEU HA H 4.272 0.067 . 587 . 60 LEU CB C 42.153 0.040 . 588 . 60 LEU HB2 H 1.680 0.020 . 589 . 60 LEU CG C 26.924 0.091 . 590 . 60 LEU HG H 1.589 0.026 . 591 . 60 LEU HD1 H 0.982 0.025 . 592 . 60 LEU HD2 H 0.875 0.023 . 593 . 60 LEU CD1 C 24.945 0.075 . 594 . 60 LEU CD2 C 23.546 0.085 . 595 . 60 LEU C C 177.664 0.000 . 596 . 61 GLU N N 122.650 0.000 . 597 . 61 GLU H H 8.288 0.024 . 598 . 61 GLU CA C 56.576 0.205 . 599 . 61 GLU HA H 4.292 0.051 . 600 . 61 GLU CB C 30.426 0.092 . 601 . 61 GLU HB2 H 2.050 0.013 . 602 . 61 GLU HB3 H 1.948 0.041 . 603 . 61 GLU CG C 36.067 0.075 . 604 . 61 GLU HG2 H 2.255 0.039 . 605 . 61 GLU C C 176.720 0.000 . 606 . 62 ILE N N 124.333 0.016 . 607 . 62 ILE H H 8.174 0.010 . 608 . 62 ILE CA C 55.258 0.212 . 609 . 62 ILE HA H 4.340 0.024 . 610 . 62 ILE CB C 42.262 0.000 . 611 . 62 ILE HB H 1.640 0.038 . 612 . 62 ILE HG2 H 0.976 0.036 . 613 . 62 ILE CG2 C 16.586 0.292 . 614 . 62 ILE CG1 C 27.047 0.000 . 615 . 62 ILE HG12 H 1.539 0.077 . 616 . 62 ILE HD1 H 0.904 0.050 . 617 . 62 ILE CD1 C 17.102 0.000 . 618 . 63 PRO CD C 51.604 0.255 . 619 . 63 PRO CA C 56.808 0.133 . 620 . 63 PRO HA H 4.297 0.040 . 621 . 63 PRO CB C 30.545 0.296 . 622 . 63 PRO HB2 H 2.329 0.057 . 623 . 63 PRO CG C 26.917 0.180 . 624 . 63 PRO HG2 H 2.133 0.019 . 625 . 63 PRO HG3 H 1.963 0.022 . 626 . 63 PRO HD2 H 3.912 0.033 . 627 . 63 PRO HD3 H 3.696 0.037 . 628 . 63 PRO C C 176.213 0.000 . 629 . 64 ALA N N 125.905 0.007 . 630 . 64 ALA H H 8.319 0.014 . 631 . 64 ALA CA C 52.680 0.089 . 632 . 64 ALA HA H 4.316 0.037 . 633 . 64 ALA HB H 1.403 0.016 . 634 . 64 ALA CB C 19.586 0.014 . 635 . 64 ALA C C 176.802 0.000 . 636 . 65 PHE N N 121.087 0.008 . 637 . 65 PHE H H 8.266 0.010 . 638 . 65 PHE CA C 54.909 0.176 . 639 . 65 PHE HA H 4.590 0.045 . 640 . 65 PHE CB C 41.209 0.046 . 641 . 65 PHE HB2 H 2.698 0.018 . 642 . 65 PHE HB3 H 2.608 0.014 . 643 . 65 PHE HD1 H 7.470 0.002 . 644 . 65 PHE HE1 H 7.865 0.002 . 645 . 65 PHE HZ H 7.526 0.002 . 646 . 65 PHE HE2 H 7.379 0.003 . 647 . 65 PHE HD2 H 7.050 0.001 . 648 . 65 PHE C C 176.423 0.000 . 649 . 66 GLY N N 115.058 0.000 . 650 . 66 GLY H H 8.266 0.019 . 651 . 66 GLY CA C 45.372 0.063 . 652 . 66 GLY HA2 H 4.587 0.032 . 653 . 66 GLY HA3 H 4.006 0.034 . 654 . 66 GLY C C 176.668 0.000 . 655 . 67 THR N N 120.481 0.000 . 656 . 67 THR H H 7.987 0.016 . 657 . 67 THR CA C 61.585 0.355 . 658 . 67 THR HA H 4.330 0.067 . 659 . 67 THR CB C 62.736 0.182 . 660 . 67 THR HB H 4.115 0.043 . 661 . 67 THR HG2 H 0.990 0.081 . 662 . 67 THR CG2 C 21.177 0.078 . 663 . 67 THR C C 173.591 0.000 . 664 . 68 TYR N N 127.488 0.055 . 665 . 68 TYR H H 8.068 0.010 . 666 . 68 TYR CA C 55.176 0.186 . 667 . 68 TYR HA H 4.577 0.040 . 668 . 68 TYR CB C 41.412 0.281 . 669 . 68 TYR HB2 H 2.742 0.059 . 670 . 68 TYR HB3 H 2.663 0.061 . 671 . 68 TYR HD1 H 7.417 0.020 . 672 . 68 TYR HE1 H 7.521 0.002 . 673 . 68 TYR C C 176.406 0.000 . 674 . 69 VAL N N 121.938 0.036 . 675 . 69 VAL H H 8.121 0.018 . 676 . 69 VAL CA C 55.393 0.304 . 677 . 69 VAL HA H 4.334 0.040 . 678 . 69 VAL CB C 41.512 0.484 . 679 . 69 VAL HB H 1.966 0.151 . 680 . 69 VAL HG1 H 0.971 0.023 . 681 . 69 VAL HG2 H 0.840 0.041 . 682 . 69 VAL CG1 C 23.561 0.216 . 683 . 69 VAL CG2 C 23.806 0.560 . 684 . 69 VAL C C 177.280 0.000 . 685 . 70 ILE N N 121.037 0.094 . 686 . 70 ILE H H 8.094 0.008 . 687 . 70 ILE CA C 55.361 0.372 . 688 . 70 ILE HA H 4.352 0.039 . 689 . 70 ILE CB C 40.917 0.241 . 690 . 70 ILE HB H 1.996 0.032 . 691 . 70 ILE HG2 H 0.942 0.045 . 692 . 70 ILE CG2 C 17.413 0.000 . 693 . 70 ILE CG1 C 27.135 0.084 . 694 . 70 ILE HG12 H 1.210 0.038 . 695 . 70 ILE HD1 H 0.874 0.038 . 696 . 70 ILE CD1 C 12.620 0.053 . 697 . 70 ILE C C 176.213 0.000 . 698 . 71 ASN N N 121.514 0.018 . 699 . 71 ASN H H 8.186 0.039 . 700 . 71 ASN CA C 54.663 0.406 . 701 . 71 ASN HA H 4.568 0.040 . 702 . 71 ASN CB C 41.250 0.169 . 703 . 71 ASN HB2 H 2.695 0.024 . 704 . 71 ASN C C 176.161 0.000 . 705 . 72 LYS N N 119.830 0.236 . 706 . 72 LYS H H 8.159 0.024 . 707 . 72 LYS CA C 58.369 0.132 . 708 . 72 LYS HA H 4.450 0.072 . 709 . 72 LYS CB C 28.398 0.154 . 710 . 72 LYS HB2 H 1.870 0.070 . 711 . 72 LYS CG C 24.872 0.000 . 712 . 72 LYS HG2 H 1.542 0.033 . 713 . 72 LYS CD C 33.083 0.167 . 714 . 72 LYS HD2 H 1.811 0.039 . 715 . 72 LYS CE C 43.176 0.023 . 716 . 72 LYS HE2 H 3.026 0.083 . 717 . 72 LYS C C 174.080 0.000 . 718 . 73 GLN N N 126.385 0.000 . 719 . 73 GLN H H 8.226 0.033 . 720 . 73 GLN CA C 57.778 0.244 . 721 . 73 GLN HA H 4.307 0.060 . 722 . 73 GLN CB C 38.711 0.150 . 723 . 73 GLN HB2 H 2.082 0.140 . 724 . 73 GLN CG C 33.659 0.277 . 725 . 73 GLN HG2 H 2.418 0.034 . 726 . 75 PRO CD C 50.492 0.118 . 727 . 75 PRO CA C 66.201 0.131 . 728 . 75 PRO HA H 4.335 0.032 . 729 . 75 PRO CB C 30.933 0.093 . 730 . 75 PRO HB2 H 2.291 0.079 . 731 . 75 PRO CG C 27.563 0.158 . 732 . 75 PRO HG2 H 2.011 0.021 . 733 . 75 PRO HD2 H 3.832 0.030 . 734 . 75 PRO HD3 H 3.630 0.026 . 735 . 75 PRO C C 176.790 0.000 . 736 . 76 ASN N N 112.207 0.080 . 737 . 76 ASN H H 6.934 0.011 . 738 . 76 ASN CA C 52.710 0.057 . 739 . 76 ASN HA H 4.820 0.016 . 740 . 76 ASN CB C 40.911 0.082 . 741 . 76 ASN HB2 H 3.094 0.017 . 742 . 76 ASN C C 177.874 0.000 . 743 . 77 LYS N N 117.592 0.078 . 744 . 77 LYS H H 7.963 0.010 . 745 . 77 LYS CA C 57.489 0.131 . 746 . 77 LYS HA H 4.273 0.022 . 747 . 77 LYS CB C 28.938 0.117 . 748 . 77 LYS HB2 H 2.046 0.045 . 749 . 77 LYS HB3 H 1.897 0.090 . 750 . 77 LYS CG C 26.080 0.022 . 751 . 77 LYS HG2 H 1.124 0.064 . 752 . 77 LYS CD C 29.465 0.458 . 753 . 77 LYS HD2 H 1.626 0.031 . 754 . 77 LYS CE C 42.557 0.142 . 755 . 77 LYS HE2 H 3.004 0.042 . 756 . 77 LYS C C 174.080 0.000 . 757 . 78 GLN N N 111.250 0.101 . 758 . 78 GLN H H 6.655 0.019 . 759 . 78 GLN CA C 54.040 0.064 . 760 . 78 GLN HA H 5.863 0.012 . 761 . 78 GLN CB C 37.234 0.178 . 762 . 78 GLN HB2 H 2.164 0.028 . 763 . 78 GLN CG C 33.069 0.440 . 764 . 78 GLN HG2 H 2.707 0.066 . 765 . 78 GLN HG3 H 2.543 0.030 . 766 . 78 GLN C C 179.098 0.000 . 767 . 79 ILE N N 126.042 0.056 . 768 . 79 ILE H H 9.118 0.011 . 769 . 79 ILE CA C 62.745 0.363 . 770 . 79 ILE HA H 4.521 0.038 . 771 . 79 ILE CB C 40.653 0.189 . 772 . 79 ILE HB H 1.837 0.086 . 773 . 79 ILE HG2 H 0.938 0.042 . 774 . 79 ILE CG2 C 17.504 0.034 . 775 . 79 ILE CG1 C 27.089 0.019 . 776 . 79 ILE HG12 H 1.222 0.044 . 777 . 79 ILE HD1 H 0.628 0.026 . 778 . 79 ILE CD1 C 12.675 0.232 . 779 . 79 ILE C C 174.517 0.000 . 780 . 80 TRP N N 131.933 0.013 . 781 . 80 TRP H H 9.856 0.013 . 782 . 80 TRP CA C 54.972 0.026 . 783 . 80 TRP HA H 5.751 0.018 . 784 . 80 TRP CB C 31.075 0.008 . 785 . 80 TRP HB2 H 3.574 0.018 . 786 . 80 TRP HB3 H 3.417 0.030 . 787 . 80 TRP CD1 C 132.346 0.000 . 788 . 80 TRP NE1 N 128.161 0.020 . 789 . 80 TRP HD1 H 6.789 0.021 . 790 . 80 TRP HE1 H 9.254 0.014 . 791 . 80 TRP C C 173.363 0.000 . 792 . 81 LEU N N 122.411 0.008 . 793 . 81 LEU H H 8.802 0.016 . 794 . 81 LEU CA C 53.828 0.299 . 795 . 81 LEU HA H 5.197 0.062 . 796 . 81 LEU CB C 48.658 0.219 . 797 . 81 LEU HB2 H 1.976 0.056 . 798 . 81 LEU CG C 27.361 0.002 . 799 . 81 LEU HG H 1.570 0.039 . 800 . 81 LEU HD1 H 1.008 0.036 . 801 . 81 LEU HD2 H 0.847 0.026 . 802 . 81 LEU CD1 C 24.872 0.000 . 803 . 81 LEU CD2 C 23.629 0.000 . 804 . 81 LEU C C 174.710 0.000 . 805 . 82 ALA N N 130.662 0.089 . 806 . 82 ALA H H 9.219 0.021 . 807 . 82 ALA CA C 51.950 0.133 . 808 . 82 ALA HA H 4.508 0.078 . 809 . 82 ALA HB H 1.408 0.029 . 810 . 82 ALA CB C 19.275 0.020 . 811 . 82 ALA C C 175.444 0.000 . 812 . 83 SER N N 117.699 0.181 . 813 . 83 SER H H 7.213 0.011 . 814 . 83 SER CA C 51.434 0.100 . 815 . 83 SER HA H 4.790 0.054 . 816 . 83 SER CB C 63.406 0.128 . 817 . 83 SER HB2 H 3.983 0.045 . 818 . 84 PRO CD C 50.950 0.260 . 819 . 84 PRO CA C 63.392 0.271 . 820 . 84 PRO HA H 4.474 0.031 . 821 . 84 PRO CB C 32.282 0.280 . 822 . 84 PRO HB2 H 2.443 0.051 . 823 . 84 PRO HB3 H 2.193 0.105 . 824 . 84 PRO CG C 28.100 0.130 . 825 . 84 PRO HG2 H 2.004 0.021 . 826 . 84 PRO HD2 H 4.005 0.034 . 827 . 84 PRO HD3 H 3.843 0.056 . 828 . 84 PRO C C 179.990 0.000 . 829 . 85 LEU N N 120.828 0.127 . 830 . 85 LEU H H 7.831 0.015 . 831 . 85 LEU CA C 56.424 0.279 . 832 . 85 LEU HA H 4.339 0.018 . 833 . 85 LEU CB C 43.026 0.201 . 834 . 85 LEU HB2 H 2.023 0.062 . 835 . 85 LEU CG C 24.143 0.526 . 836 . 85 LEU HG H 1.625 0.139 . 837 . 85 LEU HD1 H 1.054 0.086 . 838 . 85 LEU HD2 H 0.955 0.039 . 839 . 85 LEU CD1 C 23.687 0.490 . 840 . 85 LEU CD2 C 21.220 0.130 . 841 . 85 LEU C C 177.822 0.000 . 842 . 86 SER N N 111.617 0.090 . 843 . 86 SER H H 8.210 0.012 . 844 . 86 SER CA C 57.363 0.014 . 845 . 86 SER HA H 4.445 0.003 . 846 . 86 SER CB C 63.837 0.278 . 847 . 86 SER HB2 H 4.072 0.017 . 848 . 86 SER C C 175.829 0.000 . 849 . 87 GLY N N 114.215 0.000 . 850 . 87 GLY H H 8.064 0.012 . 851 . 87 GLY CA C 45.201 0.109 . 852 . 87 GLY HA2 H 4.399 0.013 . 853 . 87 GLY HA3 H 3.932 0.059 . 854 . 88 PRO CD C 50.855 0.147 . 855 . 88 PRO CA C 62.927 0.076 . 856 . 88 PRO HA H 4.352 0.034 . 857 . 88 PRO CB C 31.985 0.071 . 858 . 88 PRO HB2 H 2.273 0.025 . 859 . 88 PRO HB3 H 2.001 0.015 . 860 . 88 PRO CG C 27.363 0.013 . 861 . 88 PRO HG2 H 2.058 0.048 . 862 . 88 PRO HD2 H 3.901 0.014 . 863 . 88 PRO HD3 H 3.684 0.033 . 864 . 88 PRO C C 176.969 0.000 . 865 . 89 ASN N N 123.167 0.287 . 866 . 89 ASN H H 8.196 0.025 . 867 . 89 ASN CA C 57.430 0.374 . 868 . 89 ASN HA H 4.263 0.010 . 869 . 89 ASN CB C 38.670 0.151 . 870 . 89 ASN HB2 H 3.013 0.041 . 871 . 89 ASN C C 176.441 0.000 . 872 . 90 ARG N N 122.714 0.021 . 873 . 90 ARG H H 8.131 0.037 . 874 . 90 ARG CA C 55.475 0.170 . 875 . 90 ARG HA H 4.316 0.069 . 876 . 90 ARG CB C 33.202 0.153 . 877 . 90 ARG HB2 H 1.731 0.096 . 878 . 90 ARG CG C 24.755 0.244 . 879 . 90 ARG HG2 H 1.527 0.030 . 880 . 90 ARG CD C 43.548 0.068 . 881 . 90 ARG HD2 H 3.129 0.086 . 882 . 90 ARG C C 175.024 0.000 . 883 . 91 PHE N N 122.067 0.053 . 884 . 91 PHE H H 9.349 0.012 . 885 . 91 PHE CA C 58.670 0.044 . 886 . 91 PHE HA H 4.739 0.026 . 887 . 91 PHE CB C 41.597 0.045 . 888 . 91 PHE HB2 H 3.322 0.017 . 889 . 91 PHE HB3 H 3.111 0.030 . 890 . 91 PHE HD1 H 7.290 0.012 . 891 . 91 PHE HE1 H 7.643 0.018 . 892 . 91 PHE HZ H 6.782 0.014 . 893 . 91 PHE HE2 H 7.071 0.037 . 894 . 91 PHE HD2 H 6.830 0.023 . 895 . 91 PHE C C 173.888 0.000 . 896 . 92 ASP N N 126.542 0.104 . 897 . 92 ASP H H 9.376 0.011 . 898 . 92 ASP CA C 53.536 0.018 . 899 . 92 ASP HA H 5.380 0.010 . 900 . 92 ASP CB C 46.372 0.007 . 901 . 92 ASP HB2 H 2.595 0.027 . 902 . 92 ASP HB3 H 2.438 0.023 . 903 . 92 ASP C C 173.696 0.000 . 904 . 93 LEU N N 124.100 0.014 . 905 . 93 LEU H H 8.578 0.015 . 906 . 93 LEU CA C 53.782 0.055 . 907 . 93 LEU HA H 3.783 0.020 . 908 . 93 LEU CB C 40.571 0.264 . 909 . 93 LEU HB2 H 1.702 0.036 . 910 . 93 LEU CG C 26.227 0.217 . 911 . 93 LEU HG H 1.486 0.057 . 912 . 93 LEU HD1 H 0.900 0.078 . 913 . 93 LEU HD2 H 0.794 0.061 . 914 . 93 LEU CD1 C 25.183 0.000 . 915 . 93 LEU CD2 C 23.629 0.000 . 916 . 93 LEU C C 174.832 0.000 . 917 . 94 LEU N N 129.767 0.016 . 918 . 94 LEU H H 8.884 0.015 . 919 . 94 LEU CA C 53.464 0.060 . 920 . 94 LEU HA H 4.499 0.037 . 921 . 94 LEU CB C 44.702 0.142 . 922 . 94 LEU HB2 H 1.591 0.053 . 923 . 94 LEU CG C 27.211 0.160 . 924 . 94 LEU HG H 1.369 0.166 . 925 . 94 LEU HD1 H 1.003 0.045 . 926 . 94 LEU HD2 H 0.912 0.037 . 927 . 94 LEU CD1 C 25.198 0.046 . 928 . 94 LEU CD2 C 24.567 0.305 . 929 . 94 LEU C C 176.598 0.000 . 930 . 95 ASN N N 127.500 0.029 . 931 . 95 ASN H H 9.556 0.006 . 932 . 95 ASN CA C 54.039 0.046 . 933 . 95 ASN HA H 4.282 0.016 . 934 . 95 ASN CB C 37.459 0.101 . 935 . 95 ASN HB2 H 3.025 0.017 . 936 . 95 ASN HB3 H 2.717 0.019 . 937 . 95 ASN C C 175.619 0.000 . 938 . 96 GLY N N 103.272 0.071 . 939 . 96 GLY H H 8.242 0.007 . 940 . 96 GLY CA C 45.862 0.197 . 941 . 96 GLY HA2 H 3.964 0.074 . 942 . 96 GLY HA3 H 3.606 0.138 . 943 . 96 GLY C C 173.259 0.000 . 944 . 97 GLU N N 120.366 0.024 . 945 . 97 GLU H H 7.511 0.014 . 946 . 97 GLU CA C 54.166 0.337 . 947 . 97 GLU HA H 4.734 0.014 . 948 . 97 GLU CB C 33.853 0.116 . 949 . 97 GLU HB2 H 1.853 0.004 . 950 . 97 GLU CG C 36.206 0.072 . 951 . 97 GLU HG2 H 2.228 0.027 . 952 . 97 GLU C C 173.521 0.000 . 953 . 98 TRP N N 123.252 0.000 . 954 . 98 TRP H H 7.986 0.010 . 955 . 98 TRP CA C 56.380 0.065 . 956 . 98 TRP HA H 5.168 0.017 . 957 . 98 TRP CB C 28.092 0.341 . 958 . 98 TRP HB2 H 3.802 0.059 . 959 . 98 TRP NE1 N 129.194 0.098 . 960 . 98 TRP HD1 H 7.116 0.008 . 961 . 98 TRP HE1 H 9.724 0.004 . 962 . 98 TRP C C 177.210 0.000 . 963 . 99 VAL N N 128.016 0.046 . 964 . 99 VAL H H 10.033 0.010 . 965 . 99 VAL CA C 60.914 0.218 . 966 . 99 VAL HA H 5.292 0.028 . 967 . 99 VAL CB C 37.136 0.102 . 968 . 99 VAL HB H 1.925 0.032 . 969 . 99 VAL HG1 H 0.971 0.043 . 970 . 99 VAL HG2 H 0.868 0.050 . 971 . 99 VAL CG1 C 21.453 0.000 . 972 . 99 VAL CG2 C 20.779 0.241 . 973 . 99 VAL C C 174.535 0.000 . 974 . 100 SER N N 122.531 0.009 . 975 . 100 SER H H 9.292 0.015 . 976 . 100 SER CA C 56.001 0.234 . 977 . 100 SER HA H 4.998 0.012 . 978 . 100 SER CB C 63.122 0.124 . 979 . 100 SER HB2 H 4.020 0.012 . 980 . 100 SER HB3 H 3.265 0.018 . 981 . 100 SER C C 177.297 0.000 . 982 . 101 LEU N N 132.779 0.021 . 983 . 101 LEU H H 9.758 0.005 . 984 . 101 LEU CA C 56.464 0.429 . 985 . 101 LEU HA H 4.259 0.065 . 986 . 101 LEU CB C 41.364 0.565 . 987 . 101 LEU HB2 H 1.770 0.027 . 988 . 101 LEU HB3 H 1.599 0.036 . 989 . 101 LEU CG C 26.689 0.165 . 990 . 101 LEU HG H 1.655 0.031 . 991 . 101 LEU HD1 H 0.982 0.013 . 992 . 101 LEU HD2 H 0.886 0.026 . 993 . 101 LEU CD1 C 23.364 0.373 . 994 . 101 LEU CD2 C 22.701 0.015 . 995 . 101 LEU C C 178.119 0.000 . 996 . 102 ARG N N 118.794 0.000 . 997 . 102 ARG H H 8.045 0.010 . 998 . 102 ARG CA C 58.132 0.020 . 999 . 102 ARG HA H 4.191 0.014 . 1000 . 102 ARG CB C 30.095 0.425 . 1001 . 102 ARG HB2 H 1.778 0.026 . 1002 . 102 ARG HB3 H 1.654 0.034 . 1003 . 102 ARG CG C 26.900 0.015 . 1004 . 102 ARG HG2 H 1.536 0.023 . 1005 . 102 ARG CD C 42.894 0.250 . 1006 . 102 ARG HD2 H 3.140 0.048 . 1007 . 102 ARG C C 177.402 0.000 . 1008 . 103 ASN N N 113.012 0.012 . 1009 . 103 ASN H H 7.417 0.012 . 1010 . 103 ASN CA C 52.338 0.191 . 1011 . 103 ASN HA H 4.960 0.026 . 1012 . 103 ASN CB C 39.429 0.284 . 1013 . 103 ASN HB2 H 3.181 0.016 . 1014 . 103 ASN HB3 H 2.644 0.304 . 1015 . 103 ASN C C 176.266 0.000 . 1016 . 104 GLY N N 110.730 0.031 . 1017 . 104 GLY H H 8.481 0.013 . 1018 . 104 GLY CA C 46.391 0.037 . 1019 . 104 GLY HA2 H 4.176 0.015 . 1020 . 104 GLY HA3 H 3.825 0.015 . 1021 . 104 GLY C C 174.308 0.000 . 1022 . 105 THR N N 114.344 0.040 . 1023 . 105 THR H H 7.605 0.011 . 1024 . 105 THR CA C 62.737 0.061 . 1025 . 105 THR HA H 4.312 0.013 . 1026 . 105 THR CB C 70.427 0.236 . 1027 . 105 THR HB H 4.165 0.041 . 1028 . 105 THR HG2 H 1.274 0.061 . 1029 . 105 THR CG2 C 21.420 0.023 . 1030 . 105 THR C C 173.993 0.000 . 1031 . 106 LYS N N 124.940 0.004 . 1032 . 106 LYS H H 9.151 0.007 . 1033 . 106 LYS CA C 55.813 0.047 . 1034 . 106 LYS HA H 5.172 0.016 . 1035 . 106 LYS CB C 33.126 0.094 . 1036 . 106 LYS HB2 H 1.836 0.021 . 1037 . 106 LYS CG C 26.356 0.057 . 1038 . 106 LYS HG2 H 1.452 0.008 . 1039 . 106 LYS CD C 29.224 0.004 . 1040 . 106 LYS HD2 H 1.747 0.031 . 1041 . 106 LYS CE C 42.307 0.076 . 1042 . 106 LYS HE2 H 2.222 0.030 . 1043 . 106 LYS C C 176.913 0.000 . 1044 . 107 LEU N N 129.631 0.051 . 1045 . 107 LEU H H 7.328 0.027 . 1046 . 107 LEU CA C 58.784 0.218 . 1047 . 107 LEU HA H 4.366 0.073 . 1048 . 107 LEU CB C 40.321 0.281 . 1049 . 107 LEU HB2 H 1.758 0.045 . 1050 . 107 LEU CG C 27.092 0.022 . 1051 . 107 LEU HG H 1.625 0.048 . 1052 . 107 LEU HD1 H 1.013 0.019 . 1053 . 107 LEU HD2 H 0.880 0.027 . 1054 . 107 LEU CD1 C 25.268 0.282 . 1055 . 107 LEU CD2 C 23.622 0.022 . 1056 . 107 LEU C C 177.507 0.000 . 1057 . 108 THR N N 114.330 0.047 . 1058 . 108 THR H H 9.386 0.005 . 1059 . 108 THR CA C 66.413 0.288 . 1060 . 108 THR HA H 4.170 0.037 . 1061 . 108 THR CB C 70.076 0.433 . 1062 . 108 THR HB H 3.836 0.124 . 1063 . 108 THR HG2 H 1.244 0.060 . 1064 . 108 THR CG2 C 22.639 0.115 . 1065 . 108 THR C C 176.388 0.000 . 1066 . 109 ASP N N 122.293 0.016 . 1067 . 109 ASP H H 6.863 0.018 . 1068 . 109 ASP CA C 57.436 0.025 . 1069 . 109 ASP HA H 4.411 0.013 . 1070 . 109 ASP CB C 40.050 0.032 . 1071 . 109 ASP HB2 H 2.991 0.014 . 1072 . 109 ASP HB3 H 2.824 0.019 . 1073 . 109 ASP C C 178.206 0.000 . 1074 . 110 ILE N N 122.777 0.026 . 1075 . 110 ILE H H 7.964 0.016 . 1076 . 110 ILE CA C 64.318 0.188 . 1077 . 110 ILE HA H 4.121 0.072 . 1078 . 110 ILE CB C 38.363 0.152 . 1079 . 110 ILE HB H 1.818 0.027 . 1080 . 110 ILE HG2 H 0.958 0.034 . 1081 . 110 ILE CG2 C 17.060 0.144 . 1082 . 110 ILE CG1 C 27.154 0.102 . 1083 . 110 ILE HG12 H 1.284 0.029 . 1084 . 110 ILE HD1 H 0.641 0.017 . 1085 . 110 ILE CD1 C 13.049 0.396 . 1086 . 110 ILE C C 177.332 0.000 . 1087 . 111 LEU N N 120.263 0.067 . 1088 . 111 LEU H H 7.945 0.017 . 1089 . 111 LEU CA C 58.277 0.263 . 1090 . 111 LEU HA H 4.011 0.043 . 1091 . 111 LEU CB C 42.242 0.018 . 1092 . 111 LEU HB2 H 1.683 0.018 . 1093 . 111 LEU HB3 H 1.417 0.016 . 1094 . 111 LEU CG C 26.286 0.309 . 1095 . 111 LEU HG H 1.488 0.037 . 1096 . 111 LEU HD1 H 1.024 0.067 . 1097 . 111 LEU HD2 H 0.859 0.039 . 1098 . 111 LEU CD1 C 25.509 0.124 . 1099 . 111 LEU CD2 C 24.403 0.201 . 1100 . 111 LEU C C 178.661 0.000 . 1101 . 112 THR N N 114.335 0.000 . 1102 . 112 THR H H 8.125 0.013 . 1103 . 112 THR CA C 67.251 0.102 . 1104 . 112 THR HA H 4.267 0.045 . 1105 . 112 THR CB C 68.339 0.394 . 1106 . 112 THR HB H 3.756 0.021 . 1107 . 112 THR HG2 H 1.223 0.027 . 1108 . 112 THR CG2 C 21.188 0.108 . 1109 . 112 THR C C 179.151 0.000 . 1110 . 113 GLU N N 122.114 0.239 . 1111 . 113 GLU H H 8.030 0.013 . 1112 . 113 GLU CA C 59.242 0.132 . 1113 . 113 GLU HA H 4.021 0.034 . 1114 . 113 GLU CB C 29.676 0.002 . 1115 . 113 GLU HB2 H 2.063 0.009 . 1116 . 113 GLU CG C 36.379 0.018 . 1117 . 113 GLU HG2 H 2.405 0.008 . 1118 . 113 GLU HG3 H 2.218 0.015 . 1119 . 113 GLU C C 179.553 0.000 . 1120 . 114 GLU N N 120.209 0.028 . 1121 . 114 GLU H H 8.241 0.007 . 1122 . 114 GLU CA C 61.318 0.062 . 1123 . 114 GLU HA H 3.912 0.012 . 1124 . 114 GLU CB C 28.530 0.207 . 1125 . 114 GLU HB2 H 2.037 0.018 . 1126 . 114 GLU CG C 37.328 0.197 . 1127 . 114 GLU HG2 H 2.216 0.030 . 1128 . 114 GLU C C 178.574 0.000 . 1129 . 115 VAL N N 120.254 0.054 . 1130 . 115 VAL H H 8.626 0.012 . 1131 . 115 VAL CA C 67.263 0.060 . 1132 . 115 VAL HA H 3.546 0.023 . 1133 . 115 VAL CB C 30.858 0.170 . 1134 . 115 VAL HB H 2.105 0.037 . 1135 . 115 VAL HG1 H 1.003 0.040 . 1136 . 115 VAL HG2 H 0.846 0.064 . 1137 . 115 VAL CG1 C 22.277 0.215 . 1138 . 115 VAL CG2 C 21.730 0.164 . 1139 . 115 VAL C C 178.434 0.000 . 1140 . 116 GLU N N 119.663 0.060 . 1141 . 116 GLU H H 8.245 0.013 . 1142 . 116 GLU CA C 60.066 0.030 . 1143 . 116 GLU HA H 3.900 0.018 . 1144 . 116 GLU CB C 28.704 0.081 . 1145 . 116 GLU HB2 H 2.190 0.029 . 1146 . 116 GLU HB3 H 2.037 0.012 . 1147 . 116 GLU CG C 36.946 0.000 . 1148 . 116 GLU HG2 H 2.477 0.021 . 1149 . 116 GLU C C 175.811 0.000 . 1150 . 117 LYS N N 120.998 0.036 . 1151 . 117 LYS H H 7.829 0.009 . 1152 . 117 LYS CA C 59.910 0.232 . 1153 . 117 LYS HA H 4.117 0.032 . 1154 . 117 LYS CB C 32.665 0.198 . 1155 . 117 LYS HB2 H 1.831 0.033 . 1156 . 117 LYS HB3 H 1.688 0.009 . 1157 . 117 LYS CG C 24.973 0.268 . 1158 . 117 LYS HG2 H 1.515 0.022 . 1159 . 117 LYS CD C 29.495 0.000 . 1160 . 117 LYS HD2 H 1.598 0.010 . 1161 . 117 LYS CE C 42.058 0.000 . 1162 . 117 LYS HE2 H 2.982 0.012 . 1163 . 117 LYS C C 175.304 0.000 . 1164 . 118 ALA N N 123.343 0.044 . 1165 . 118 ALA H H 7.995 0.018 . 1166 . 118 ALA CA C 55.344 0.358 . 1167 . 118 ALA HA H 4.121 0.021 . 1168 . 118 ALA HB H 1.327 0.029 . 1169 . 118 ALA CB C 18.737 0.080 . 1170 . 118 ALA C C 173.136 0.000 . 1171 . 119 ILE N N 117.603 0.052 . 1172 . 119 ILE H H 7.966 0.013 . 1173 . 119 ILE CA C 63.454 0.032 . 1174 . 119 ILE HA H 4.045 0.019 . 1175 . 119 ILE CB C 38.067 0.045 . 1176 . 119 ILE HB H 1.641 0.027 . 1177 . 119 ILE HG2 H 0.888 0.054 . 1178 . 119 ILE CG2 C 17.042 0.124 . 1179 . 119 ILE CG1 C 27.358 0.000 . 1180 . 119 ILE HG12 H 1.183 0.050 . 1181 . 119 ILE HD1 H 0.524 0.023 . 1182 . 119 ILE CD1 C 17.531 0.427 . 1183 . 119 ILE C C 177.874 0.000 . 1184 . 120 SER N N 117.233 0.021 . 1185 . 120 SER H H 7.969 0.007 . 1186 . 120 SER CA C 59.910 0.122 . 1187 . 120 SER HA H 4.291 0.035 . 1188 . 120 SER CB C 63.698 0.076 . 1189 . 120 SER HB2 H 3.983 0.018 . 1190 . 120 SER C C 175.077 0.000 . 1191 . 121 LYS N N 122.406 0.025 . 1192 . 121 LYS H H 7.805 0.016 . 1193 . 121 LYS CA C 56.485 0.358 . 1194 . 121 LYS HA H 4.317 0.020 . 1195 . 121 LYS CB C 32.650 0.362 . 1196 . 121 LYS HB2 H 1.914 0.091 . 1197 . 121 LYS HB3 H 1.727 0.014 . 1198 . 121 LYS CG C 24.672 0.167 . 1199 . 121 LYS HG2 H 1.491 0.030 . 1200 . 121 LYS CD C 28.918 0.020 . 1201 . 121 LYS HD2 H 1.691 0.030 . 1202 . 121 LYS CE C 42.292 0.070 . 1203 . 121 LYS HE2 H 3.047 0.042 . 1204 . 121 LYS C C 176.703 0.000 . 1205 . 122 SER N N 117.355 0.027 . 1206 . 122 SER H H 8.042 0.017 . 1207 . 122 SER CA C 58.742 0.232 . 1208 . 122 SER HA H 4.484 0.020 . 1209 . 122 SER CB C 64.161 0.060 . 1210 . 122 SER HB2 H 3.909 0.024 . 1211 . 122 SER HB3 H 3.684 0.013 . 1212 . 122 SER C C 173.643 0.000 . 1213 . 123 GLN N N 127.963 0.040 . 1214 . 123 GLN H H 7.866 0.008 . 1215 . 123 GLN CA C 57.448 0.223 . 1216 . 123 GLN HA H 4.303 0.037 . 1217 . 123 GLN CB C 30.219 0.257 . 1218 . 123 GLN HB2 H 2.153 0.024 . 1219 . 123 GLN HB3 H 2.005 0.022 . 1220 . 123 GLN CG C 34.331 0.203 . 1221 . 123 GLN HG2 H 2.400 0.021 . 1222 . 123 GLN HE21 H 7.385 0.000 . 1223 . 123 GLN HE22 H 6.559 0.000 . stop_ save_