data_19302 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution Structure of ERCC4 domain of human FAAP24 ; _BMRB_accession_number 19302 _BMRB_flat_file_name bmr19302.str _Entry_type original _Submission_date 2013-06-18 _Accession_date 2013-06-18 _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 Wu Fangming . . 2 Han Xiao . . 3 Shi Chaowei . . 4 Gong Weimin . . 5 Tian Changlin . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 707 "13C chemical shifts" 542 "15N chemical shifts" 131 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2013-10-09 update BMRB 'update entry citation' 2013-09-16 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 19303 '(HhH)2 domain of human FAAP24' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Structure analysis of FAAP24 reveals single-stranded DNA-binding activity and domain functions in DNA damage response.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 23999858 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Wang Yucai . . 2 Han Xiao . . 3 Wu Fangming . . 4 Leung Justin W. . 5 Lowery Megan G. . 6 Do Huong . . 7 Chen Junjie . . 8 Shi Chaowei . . 9 Tian Changlin . . 10 Li Lei . . 11 Gong Weimin . . stop_ _Journal_abbreviation 'Cell Res.' _Journal_name_full 'Cell research' _Journal_volume 23 _Journal_issue 10 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 1215 _Page_last 1228 _Year 2013 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'ERCC4 domain of human FAAP24' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'ERCC4 domain of human FAAP24' $entity stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common FAAP24-ERCC4 _Molecular_mass 15680.295 _Mol_thiol_state . _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 147 _Mol_residue_sequence ; MEKNPPDDTGPVHVPLGHIV ANEKWRGSQLAQEMQGKIKL IFEDGLTPDFYLSNRCCILY VTEADLVAGNGYRKRLVRVR NSNNLKGIVVVEKTRMSEQY FPALQKFTVLDLGMVLLPVA SQMEASCLVIQLVQEQTKEL EHHHHHH ; loop_ _Residue_seq_code _Residue_label 1 MET 2 GLU 3 LYS 4 ASN 5 PRO 6 PRO 7 ASP 8 ASP 9 THR 10 GLY 11 PRO 12 VAL 13 HIS 14 VAL 15 PRO 16 LEU 17 GLY 18 HIS 19 ILE 20 VAL 21 ALA 22 ASN 23 GLU 24 LYS 25 TRP 26 ARG 27 GLY 28 SER 29 GLN 30 LEU 31 ALA 32 GLN 33 GLU 34 MET 35 GLN 36 GLY 37 LYS 38 ILE 39 LYS 40 LEU 41 ILE 42 PHE 43 GLU 44 ASP 45 GLY 46 LEU 47 THR 48 PRO 49 ASP 50 PHE 51 TYR 52 LEU 53 SER 54 ASN 55 ARG 56 CYS 57 CYS 58 ILE 59 LEU 60 TYR 61 VAL 62 THR 63 GLU 64 ALA 65 ASP 66 LEU 67 VAL 68 ALA 69 GLY 70 ASN 71 GLY 72 TYR 73 ARG 74 LYS 75 ARG 76 LEU 77 VAL 78 ARG 79 VAL 80 ARG 81 ASN 82 SER 83 ASN 84 ASN 85 LEU 86 LYS 87 GLY 88 ILE 89 VAL 90 VAL 91 VAL 92 GLU 93 LYS 94 THR 95 ARG 96 MET 97 SER 98 GLU 99 GLN 100 TYR 101 PHE 102 PRO 103 ALA 104 LEU 105 GLN 106 LYS 107 PHE 108 THR 109 VAL 110 LEU 111 ASP 112 LEU 113 GLY 114 MET 115 VAL 116 LEU 117 LEU 118 PRO 119 VAL 120 ALA 121 SER 122 GLN 123 MET 124 GLU 125 ALA 126 SER 127 CYS 128 LEU 129 VAL 130 ILE 131 GLN 132 LEU 133 VAL 134 GLN 135 GLU 136 GLN 137 THR 138 LYS 139 GLU 140 LEU 141 GLU 142 HIS 143 HIS 144 HIS 145 HIS 146 HIS 147 HIS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-11-04 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 2M9M "Solution Structure Of Ercc4 Domain Of Human Faap24" 100.00 147 100.00 100.00 1.85e-104 PDB 4BXO "Architecture And Dna Recognition Elements Of The Fanconi Anemia Fancm-faap24 Complex" 94.56 217 99.28 100.00 1.57e-96 PDB 4M6W "Crystal Structure Of The C-terminal Segment Of Fancm In Complex With Faap24" 84.35 208 99.19 100.00 4.35e-83 DBJ BAG54708 "unnamed protein product [Homo sapiens]" 94.56 215 100.00 100.00 2.89e-97 GB AAH03535 "Chromosome 19 open reading frame 40 [Homo sapiens]" 94.56 215 100.00 100.00 2.89e-97 GB AAH10170 "Chromosome 19 open reading frame 40 [Homo sapiens]" 94.56 215 100.00 100.00 2.89e-97 GB AAH20247 "Chromosome 19 open reading frame 40 [Homo sapiens]" 94.56 215 100.00 100.00 2.89e-97 GB ADQ32151 "chromosome 19 open reading frame 40 [synthetic construct]" 94.56 215 100.00 100.00 2.89e-97 GB AIC52732 "C19orf40, partial [synthetic construct]" 94.56 215 100.00 100.00 2.89e-97 REF NP_689479 "Fanconi anemia core complex-associated protein 24 isoform 1 [Homo sapiens]" 94.56 215 100.00 100.00 2.89e-97 REF XP_003780763 "PREDICTED: LOW QUALITY PROTEIN: Fanconi anemia-associated protein of 24 kDa [Pongo abelii]" 94.56 215 97.12 98.56 5.73e-94 REF XP_003915337 "PREDICTED: Fanconi anemia-associated protein of 24 kDa isoform X1 [Papio anubis]" 94.56 215 97.12 98.56 8.59e-95 REF XP_004093270 "PREDICTED: LOW QUALITY PROTEIN: Fanconi anemia-associated protein of 24 kDa [Nomascus leucogenys]" 94.56 215 99.28 100.00 1.01e-96 REF XP_005259450 "PREDICTED: Fanconi anemia-associated protein of 24 kDa isoform X1 [Homo sapiens]" 57.82 172 100.00 100.00 3.17e-52 SP Q9BTP7 "RecName: Full=Fanconi anemia core complex-associated protein 24; AltName: Full=Fanconi anemia-associated protein of 24 kDa" 94.56 215 100.00 100.00 2.89e-97 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity Human 9606 Eukaryota Metazoa Homo sapiens 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 $entity 'recombinant technology' . Escherichia coli . pET-22b 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 _Concentration_min_value _Concentration_max_value _Isotopic_labeling $entity . mM 0.5 0.8 '[U-100% 13C; U-100% 15N]' 'potassium phosphate' 50 mM . . 'natural abundance' 'sodium chloride' 50 mM . . 'natural abundance' beta-mercaptoethanol 1 mM . . 'natural abundance' EDTA 0.5 mM . . 'natural abundance' H2O 90 % . . 'natural abundance' D2O 10 % . . 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $entity . mM 0.5 0.8 '[U-100% 13C; U-100% 15N]' 'potassium phosphate' 50 mM . . 'natural abundance' 'sodium chloride' 50 mM . . 'natural abundance' beta-mercaptoethanol 1 mM . . 'natural abundance' EDTA 0.5 mM . . 'natural abundance' D2O 100 % . . 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_NMRView _Saveframe_category software _Name NMRView _Version . loop_ _Vendor _Address _Electronic_address 'Johnson, One Moon Scientific' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_TALOS _Saveframe_category software _Name TALOS _Version . loop_ _Vendor _Address _Electronic_address 'Cornilescu, Delaglio and Bax' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_X-PLOR_NIH _Saveframe_category software _Name 'X-PLOR NIH' _Version . loop_ _Vendor _Address _Electronic_address 'Schwieters, Kuszewski, Tjandra and Clore' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 850 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 700 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HNCA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_HNCO_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_H(CCO)NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_1 save_ save_3D_C(CO)NH_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_2 save_ save_3D_HCCH-COSY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-COSY' _Sample_label $sample_2 save_ save_3D_1H-15N_NOESY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_2 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.35 . M pH 6.0 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _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 C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 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_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D CBCA(CO)NH' '3D HNCACB' '3D HNCO' '3D HBHA(CO)NH' '3D H(CCO)NH' '3D C(CO)NH' '3D HCCH-TOCSY' '3D HCCH-COSY' '3D 1H-15N NOESY' '3D 1H-13C NOESY' stop_ loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'ERCC4 domain of human FAAP24' _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 1 MET HA H 4.166 0.000 . 2 1 1 MET C C 175.268 0.000 . 3 1 1 MET CA C 56.383 0.000 . 4 1 1 MET CB C 32.900 0.000 . 5 1 1 MET CG C 36.022 0.000 . 6 2 2 GLU H H 8.313 0.002 . 7 2 2 GLU HA H 4.160 0.003 . 8 2 2 GLU HB2 H 1.730 0.000 . 9 2 2 GLU HB3 H 1.860 0.000 . 10 2 2 GLU HG2 H 2.087 0.001 . 11 2 2 GLU HG3 H 2.087 0.001 . 12 2 2 GLU C C 175.765 0.000 . 13 2 2 GLU CA C 56.353 0.000 . 14 2 2 GLU CB C 30.041 0.000 . 15 2 2 GLU CG C 36.057 0.000 . 16 2 2 GLU N N 123.078 0.043 . 17 3 3 LYS H H 8.243 0.002 . 18 3 3 LYS HA H 4.013 0.000 . 19 3 3 LYS HB2 H 1.506 0.000 . 20 3 3 LYS HB3 H 1.506 0.000 . 21 3 3 LYS C C 174.713 0.000 . 22 3 3 LYS CA C 56.240 0.000 . 23 3 3 LYS CB C 33.400 0.000 . 24 3 3 LYS CG C 24.713 0.000 . 25 3 3 LYS CD C 29.633 0.000 . 26 3 3 LYS CE C 36.869 0.000 . 27 3 3 LYS N N 124.091 0.045 . 28 4 4 ASN H H 8.086 0.003 . 29 4 4 ASN C C 172.940 0.000 . 30 4 4 ASN CA C 50.404 0.000 . 31 4 4 ASN CB C 41.212 0.000 . 32 4 4 ASN N N 121.184 0.031 . 33 6 6 PRO HA H 4.222 0.003 . 34 6 6 PRO HB2 H 1.762 0.000 . 35 6 6 PRO HB3 H 2.062 0.000 . 36 6 6 PRO HG2 H 1.815 0.000 . 37 6 6 PRO HG3 H 1.815 0.000 . 38 6 6 PRO C C 176.390 0.000 . 39 6 6 PRO CA C 63.267 0.003 . 40 6 6 PRO CB C 32.008 0.000 . 41 6 6 PRO CG C 27.510 0.000 . 42 6 6 PRO CD C 50.325 0.000 . 43 7 7 ASP H H 8.175 0.004 . 44 7 7 ASP HA H 4.402 0.008 . 45 7 7 ASP HB2 H 2.458 0.009 . 46 7 7 ASP HB3 H 2.458 0.009 . 47 7 7 ASP C C 175.911 0.000 . 48 7 7 ASP CA C 54.248 0.000 . 49 7 7 ASP CB C 41.210 0.021 . 50 7 7 ASP N N 120.412 0.093 . 51 8 8 ASP H H 8.080 0.005 . 52 8 8 ASP HA H 4.554 0.021 . 53 8 8 ASP HB2 H 2.511 0.003 . 54 8 8 ASP HB3 H 2.511 0.003 . 55 8 8 ASP C C 176.334 0.000 . 56 8 8 ASP CA C 54.240 0.000 . 57 8 8 ASP CB C 41.354 0.000 . 58 8 8 ASP N N 121.448 0.049 . 59 9 9 THR H H 7.982 0.015 . 60 9 9 THR HA H 4.170 0.013 . 61 9 9 THR HB H 4.070 0.006 . 62 9 9 THR HG2 H 1.008 0.013 . 63 9 9 THR C C 174.565 0.000 . 64 9 9 THR CA C 62.018 0.000 . 65 9 9 THR CB C 69.655 0.000 . 66 9 9 THR CG2 C 21.566 0.073 . 67 9 9 THR N N 114.376 0.018 . 68 10 10 GLY H H 8.051 0.004 . 69 10 10 GLY HA2 H 3.836 0.004 . 70 10 10 GLY HA3 H 3.985 0.003 . 71 10 10 GLY C C 171.287 0.000 . 72 10 10 GLY CA C 44.627 0.080 . 73 10 10 GLY N N 111.726 0.021 . 74 11 11 PRO HA H 4.298 0.003 . 75 11 11 PRO HB2 H 2.002 0.007 . 76 11 11 PRO HB3 H 2.002 0.007 . 77 11 11 PRO HG2 H 1.545 0.000 . 78 11 11 PRO HG3 H 1.719 0.012 . 79 11 11 PRO C C 176.417 0.000 . 80 11 11 PRO CA C 63.173 0.000 . 81 11 11 PRO CB C 32.419 0.026 . 82 11 11 PRO CG C 27.293 0.000 . 83 12 12 VAL H H 7.667 0.003 . 84 12 12 VAL HA H 3.757 0.010 . 85 12 12 VAL HB H 1.174 0.007 . 86 12 12 VAL HG1 H 0.180 0.010 . 87 12 12 VAL HG2 H 0.180 0.010 . 88 12 12 VAL C C 174.604 0.000 . 89 12 12 VAL CA C 61.747 0.000 . 90 12 12 VAL CB C 33.506 0.101 . 91 12 12 VAL CG1 C 20.492 0.073 . 92 12 12 VAL CG2 C 20.492 0.073 . 93 12 12 VAL N N 120.990 0.026 . 94 13 13 HIS H H 8.088 0.003 . 95 13 13 HIS HA H 4.387 0.007 . 96 13 13 HIS HB2 H 2.764 0.014 . 97 13 13 HIS HB3 H 2.764 0.014 . 98 13 13 HIS C C 173.601 0.000 . 99 13 13 HIS CA C 55.731 0.000 . 100 13 13 HIS CB C 30.039 0.012 . 101 13 13 HIS N N 123.020 0.026 . 102 14 14 VAL H H 8.128 0.009 . 103 14 14 VAL HA H 3.941 0.000 . 104 14 14 VAL HB H 1.664 0.020 . 105 14 14 VAL HG1 H 0.348 0.015 . 106 14 14 VAL HG2 H 0.562 0.022 . 107 14 14 VAL C C 173.591 0.000 . 108 14 14 VAL CA C 59.095 0.000 . 109 14 14 VAL CB C 32.976 0.000 . 110 14 14 VAL CG1 C 21.081 0.000 . 111 14 14 VAL CG2 C 21.958 0.000 . 112 14 14 VAL N N 126.633 0.041 . 113 15 15 PRO HA H 4.042 0.008 . 114 15 15 PRO HB2 H 0.911 0.004 . 115 15 15 PRO HB3 H 1.910 0.006 . 116 15 15 PRO HG2 H 1.394 0.005 . 117 15 15 PRO HG3 H 1.394 0.005 . 118 15 15 PRO C C 175.581 0.000 . 119 15 15 PRO CA C 62.314 0.000 . 120 15 15 PRO CB C 31.352 0.068 . 121 15 15 PRO CG C 27.012 0.000 . 122 15 15 PRO CD C 50.822 0.000 . 123 16 16 LEU H H 8.070 0.005 . 124 16 16 LEU HA H 4.073 0.010 . 125 16 16 LEU HB2 H 1.412 0.006 . 126 16 16 LEU HB3 H 1.494 0.010 . 127 16 16 LEU HD1 H 0.785 0.008 . 128 16 16 LEU HD2 H 0.785 0.008 . 129 16 16 LEU C C 180.683 0.000 . 130 16 16 LEU CA C 56.442 0.000 . 131 16 16 LEU CB C 41.855 0.057 . 132 16 16 LEU CD1 C 24.667 0.000 . 133 16 16 LEU CD2 C 24.667 0.000 . 134 16 16 LEU N N 122.170 0.049 . 135 17 17 GLY H H 9.325 0.005 . 136 17 17 GLY HA2 H 3.560 0.004 . 137 17 17 GLY HA3 H 3.951 0.009 . 138 17 17 GLY C C 173.075 0.000 . 139 17 17 GLY CA C 45.757 0.000 . 140 17 17 GLY N N 114.931 0.064 . 141 18 18 HIS H H 7.803 0.004 . 142 18 18 HIS HA H 5.386 0.011 . 143 18 18 HIS HB2 H 2.635 0.005 . 144 18 18 HIS HB3 H 2.825 0.017 . 145 18 18 HIS C C 173.186 0.000 . 146 18 18 HIS CA C 54.007 0.044 . 147 18 18 HIS CB C 31.691 0.046 . 148 18 18 HIS N N 117.638 0.053 . 149 19 19 ILE H H 8.059 0.002 . 150 19 19 ILE HA H 4.372 0.006 . 151 19 19 ILE HB H 1.449 0.013 . 152 19 19 ILE HG12 H 0.780 0.009 . 153 19 19 ILE HG13 H 1.229 0.011 . 154 19 19 ILE HG2 H 0.602 0.012 . 155 19 19 ILE HD1 H 0.275 0.013 . 156 19 19 ILE C C 174.449 0.000 . 157 19 19 ILE CA C 60.368 0.000 . 158 19 19 ILE CB C 42.044 0.026 . 159 19 19 ILE CG1 C 27.314 0.074 . 160 19 19 ILE CG2 C 18.017 0.000 . 161 19 19 ILE CD1 C 14.551 0.000 . 162 19 19 ILE N N 114.669 0.020 . 163 20 20 VAL H H 7.525 0.005 . 164 20 20 VAL HA H 4.730 0.009 . 165 20 20 VAL HB H 1.643 0.014 . 166 20 20 VAL HG1 H 0.765 0.010 . 167 20 20 VAL HG2 H 0.765 0.010 . 168 20 20 VAL C C 174.104 0.000 . 169 20 20 VAL CA C 61.322 0.000 . 170 20 20 VAL CB C 33.255 0.000 . 171 20 20 VAL CG1 C 21.084 0.000 . 172 20 20 VAL CG2 C 22.067 0.000 . 173 20 20 VAL N N 124.211 0.036 . 174 21 21 ALA H H 9.395 0.006 . 175 21 21 ALA HA H 5.095 0.005 . 176 21 21 ALA HB H 1.012 0.011 . 177 21 21 ALA C C 175.389 0.000 . 178 21 21 ALA CA C 49.175 0.019 . 179 21 21 ALA CB C 24.297 0.320 . 180 21 21 ALA N N 131.125 0.026 . 181 22 22 ASN H H 8.345 0.008 . 182 22 22 ASN HA H 4.805 0.013 . 183 22 22 ASN HB2 H 2.738 0.010 . 184 22 22 ASN HB3 H 2.993 0.010 . 185 22 22 ASN C C 176.336 0.000 . 186 22 22 ASN CA C 54.289 0.111 . 187 22 22 ASN CB C 39.822 0.058 . 188 22 22 ASN N N 120.999 0.124 . 189 23 23 GLU H H 7.951 0.006 . 190 23 23 GLU HA H 3.927 0.005 . 191 23 23 GLU HB2 H 1.744 0.012 . 192 23 23 GLU HB3 H 1.882 0.008 . 193 23 23 GLU HG2 H 2.143 0.008 . 194 23 23 GLU HG3 H 2.473 0.000 . 195 23 23 GLU C C 176.348 0.000 . 196 23 23 GLU CA C 59.171 0.000 . 197 23 23 GLU CB C 30.365 0.026 . 198 23 23 GLU CG C 34.610 0.000 . 199 23 23 GLU N N 128.726 0.022 . 200 24 24 LYS H H 8.583 0.002 . 201 24 24 LYS HA H 3.895 0.007 . 202 24 24 LYS HB2 H 1.204 0.007 . 203 24 24 LYS HB3 H 1.461 0.012 . 204 24 24 LYS HG2 H 0.016 0.009 . 205 24 24 LYS HG3 H 0.685 0.011 . 206 24 24 LYS HD2 H 1.243 0.000 . 207 24 24 LYS HD3 H 1.182 0.003 . 208 24 24 LYS HE2 H 2.294 0.007 . 209 24 24 LYS HE3 H 2.427 0.005 . 210 24 24 LYS C C 176.782 0.000 . 211 24 24 LYS CA C 58.379 0.000 . 212 24 24 LYS CB C 30.846 0.033 . 213 24 24 LYS CG C 23.482 0.040 . 214 24 24 LYS CD C 28.844 0.057 . 215 24 24 LYS N N 119.166 0.036 . 216 25 25 TRP H H 8.169 0.003 . 217 25 25 TRP HA H 4.326 0.006 . 218 25 25 TRP HB2 H 3.072 0.004 . 219 25 25 TRP HB3 H 3.450 0.006 . 220 25 25 TRP HE1 H 11.199 0.003 . 221 25 25 TRP C C 177.280 0.000 . 222 25 25 TRP CA C 56.722 0.000 . 223 25 25 TRP CB C 29.506 0.000 . 224 25 25 TRP N N 118.053 0.038 . 225 25 25 TRP NE1 N 129.594 0.032 . 226 26 26 ARG H H 7.879 0.004 . 227 26 26 ARG HA H 3.302 0.007 . 228 26 26 ARG HB2 H 0.644 0.014 . 229 26 26 ARG HB3 H 1.192 0.010 . 230 26 26 ARG HG2 H 1.715 0.000 . 231 26 26 ARG HG3 H 1.715 0.000 . 232 26 26 ARG C C 177.506 0.000 . 233 26 26 ARG CA C 59.147 0.000 . 234 26 26 ARG CB C 29.305 0.007 . 235 26 26 ARG CG C 27.133 0.000 . 236 26 26 ARG N N 127.838 0.027 . 237 27 27 GLY H H 8.968 0.004 . 238 27 27 GLY HA2 H 3.589 0.008 . 239 27 27 GLY HA3 H 3.962 0.011 . 240 27 27 GLY C C 174.037 0.000 . 241 27 27 GLY CA C 45.513 0.053 . 242 27 27 GLY N N 116.455 0.058 . 243 28 28 SER H H 7.718 0.003 . 244 28 28 SER HA H 4.357 0.009 . 245 28 28 SER HB2 H 4.683 0.011 . 246 28 28 SER HB3 H 4.683 0.011 . 247 28 28 SER C C 174.705 0.000 . 248 28 28 SER CA C 58.055 0.000 . 249 28 28 SER CB C 65.852 0.000 . 250 28 28 SER N N 115.316 0.030 . 251 29 29 GLN H H 8.987 0.002 . 252 29 29 GLN HA H 3.940 0.005 . 253 29 29 GLN HB2 H 1.963 0.011 . 254 29 29 GLN HB3 H 1.963 0.011 . 255 29 29 GLN HG2 H 2.100 0.007 . 256 29 29 GLN HG3 H 2.345 0.004 . 257 29 29 GLN C C 178.221 0.000 . 258 29 29 GLN CA C 59.678 0.000 . 259 29 29 GLN CB C 27.932 0.000 . 260 29 29 GLN CG C 34.116 0.000 . 261 29 29 GLN N N 124.252 0.050 . 262 30 30 LEU H H 8.469 0.003 . 263 30 30 LEU HA H 3.649 0.016 . 264 30 30 LEU HB2 H 1.419 0.011 . 265 30 30 LEU HB3 H 1.571 0.015 . 266 30 30 LEU HG H 1.074 0.008 . 267 30 30 LEU HD1 H -0.185 0.008 . 268 30 30 LEU HD2 H 0.213 0.009 . 269 30 30 LEU C C 177.674 0.000 . 270 30 30 LEU CA C 59.240 0.000 . 271 30 30 LEU CB C 42.377 0.037 . 272 30 30 LEU CG C 27.549 0.000 . 273 30 30 LEU CD1 C 25.360 0.241 . 274 30 30 LEU CD2 C 24.961 0.308 . 275 30 30 LEU N N 119.516 0.026 . 276 31 31 ALA H H 7.965 0.007 . 277 31 31 ALA HA H 3.787 0.005 . 278 31 31 ALA HB H 1.525 0.010 . 279 31 31 ALA C C 179.914 0.000 . 280 31 31 ALA CA C 55.346 0.000 . 281 31 31 ALA CB C 18.725 0.000 . 282 31 31 ALA N N 118.887 0.033 . 283 32 32 GLN H H 8.292 0.005 . 284 32 32 GLN HA H 3.874 0.008 . 285 32 32 GLN HB2 H 2.040 0.008 . 286 32 32 GLN HB3 H 2.121 0.013 . 287 32 32 GLN HG2 H 2.306 0.008 . 288 32 32 GLN HG3 H 2.306 0.008 . 289 32 32 GLN C C 179.160 0.000 . 290 32 32 GLN CA C 59.072 0.000 . 291 32 32 GLN CB C 28.676 0.033 . 292 32 32 GLN CG C 34.192 0.000 . 293 32 32 GLN N N 119.187 0.017 . 294 33 33 GLU H H 8.157 0.002 . 295 33 33 GLU HA H 3.932 0.008 . 296 33 33 GLU HB2 H 1.915 0.009 . 297 33 33 GLU HB3 H 2.006 0.010 . 298 33 33 GLU HG2 H 2.144 0.010 . 299 33 33 GLU HG3 H 2.342 0.010 . 300 33 33 GLU C C 178.487 0.000 . 301 33 33 GLU CA C 57.948 0.000 . 302 33 33 GLU CB C 29.221 0.000 . 303 33 33 GLU CG C 36.371 0.036 . 304 33 33 GLU N N 117.845 0.035 . 305 34 34 MET H H 7.452 0.002 . 306 34 34 MET HA H 3.911 0.010 . 307 34 34 MET HB2 H 1.666 0.010 . 308 34 34 MET HB3 H 1.927 0.009 . 309 34 34 MET HG2 H 2.011 0.011 . 310 34 34 MET HG3 H 2.575 0.006 . 311 34 34 MET C C 176.992 0.000 . 312 34 34 MET CA C 58.485 0.000 . 313 34 34 MET CB C 34.045 0.000 . 314 34 34 MET CG C 32.294 0.000 . 315 34 34 MET N N 116.546 0.023 . 316 35 35 GLN H H 7.605 0.006 . 317 35 35 GLN HA H 4.219 0.003 . 318 35 35 GLN HB2 H 2.088 0.004 . 319 35 35 GLN HB3 H 2.020 0.003 . 320 35 35 GLN HG2 H 2.386 0.012 . 321 35 35 GLN HG3 H 2.386 0.012 . 322 35 35 GLN C C 176.544 0.000 . 323 35 35 GLN CA C 58.039 0.000 . 324 35 35 GLN CB C 28.381 0.000 . 325 35 35 GLN CG C 34.029 0.019 . 326 35 35 GLN N N 118.259 0.033 . 327 36 36 GLY H H 8.178 0.004 . 328 36 36 GLY HA2 H 3.706 0.003 . 329 36 36 GLY HA3 H 3.901 0.010 . 330 36 36 GLY C C 174.291 0.000 . 331 36 36 GLY CA C 45.517 0.054 . 332 36 36 GLY N N 110.354 0.022 . 333 37 37 LYS H H 7.837 0.003 . 334 37 37 LYS HA H 4.254 0.010 . 335 37 37 LYS HB2 H 1.496 0.021 . 336 37 37 LYS HB3 H 1.676 0.013 . 337 37 37 LYS HG2 H 1.187 0.016 . 338 37 37 LYS HG3 H 1.187 0.016 . 339 37 37 LYS HD2 H 1.564 0.002 . 340 37 37 LYS HD3 H 1.564 0.002 . 341 37 37 LYS HE2 H 2.776 0.009 . 342 37 37 LYS HE3 H 2.776 0.009 . 343 37 37 LYS C C 175.387 0.000 . 344 37 37 LYS CA C 57.173 0.000 . 345 37 37 LYS CB C 35.261 0.090 . 346 37 37 LYS CG C 25.313 0.000 . 347 37 37 LYS CD C 29.291 0.136 . 348 37 37 LYS CE C 41.008 0.029 . 349 37 37 LYS N N 119.406 0.025 . 350 38 38 ILE H H 7.821 0.003 . 351 38 38 ILE HA H 4.138 0.008 . 352 38 38 ILE HB H 1.424 0.009 . 353 38 38 ILE HG12 H 0.850 0.012 . 354 38 38 ILE HG13 H 1.061 0.006 . 355 38 38 ILE HG2 H 0.502 0.012 . 356 38 38 ILE HD1 H 0.546 0.009 . 357 38 38 ILE C C 172.937 0.000 . 358 38 38 ILE CA C 59.055 0.000 . 359 38 38 ILE CB C 41.631 0.054 . 360 38 38 ILE CG1 C 27.883 0.043 . 361 38 38 ILE CG2 C 17.959 0.000 . 362 38 38 ILE CD1 C 14.691 0.000 . 363 38 38 ILE N N 118.201 0.056 . 364 39 39 LYS H H 7.126 0.005 . 365 39 39 LYS HA H 4.187 0.007 . 366 39 39 LYS HB2 H 0.737 0.007 . 367 39 39 LYS HB3 H 1.143 0.007 . 368 39 39 LYS HG2 H 1.006 0.007 . 369 39 39 LYS HG3 H 1.006 0.007 . 370 39 39 LYS HD2 H 1.163 0.014 . 371 39 39 LYS HD3 H 1.301 0.014 . 372 39 39 LYS HE2 H 2.651 0.000 . 373 39 39 LYS HE3 H 2.651 0.000 . 374 39 39 LYS C C 174.751 0.000 . 375 39 39 LYS CA C 55.865 0.039 . 376 39 39 LYS CB C 33.007 0.014 . 377 39 39 LYS CG C 25.100 0.000 . 378 39 39 LYS CD C 29.103 0.000 . 379 39 39 LYS N N 122.826 0.030 . 380 40 40 LEU H H 8.102 0.006 . 381 40 40 LEU HA H 4.667 0.008 . 382 40 40 LEU HB2 H 0.562 0.011 . 383 40 40 LEU HB3 H 1.175 0.011 . 384 40 40 LEU HG H 1.178 0.009 . 385 40 40 LEU HD1 H 0.442 0.010 . 386 40 40 LEU HD2 H 0.614 0.006 . 387 40 40 LEU C C 176.473 0.000 . 388 40 40 LEU CA C 54.607 0.000 . 389 40 40 LEU CB C 44.102 0.000 . 390 40 40 LEU CG C 28.497 0.115 . 391 40 40 LEU CD1 C 25.486 0.047 . 392 40 40 LEU CD2 C 25.639 0.002 . 393 40 40 LEU N N 124.298 0.031 . 394 41 41 ILE H H 8.208 0.006 . 395 41 41 ILE HA H 4.092 0.008 . 396 41 41 ILE HB H 1.616 0.006 . 397 41 41 ILE HG12 H 0.948 0.009 . 398 41 41 ILE HG13 H 1.326 0.014 . 399 41 41 ILE HG2 H 0.794 0.013 . 400 41 41 ILE HD1 H 0.544 0.015 . 401 41 41 ILE C C 174.360 0.000 . 402 41 41 ILE CA C 60.208 0.000 . 403 41 41 ILE CB C 40.867 0.077 . 404 41 41 ILE CG1 C 27.272 0.110 . 405 41 41 ILE CG2 C 17.429 0.000 . 406 41 41 ILE CD1 C 13.758 0.000 . 407 41 41 ILE N N 124.128 0.059 . 408 42 42 PHE H H 8.636 0.003 . 409 42 42 PHE HA H 5.501 0.010 . 410 42 42 PHE HB2 H 2.762 0.009 . 411 42 42 PHE HB3 H 2.762 0.009 . 412 42 42 PHE HD1 H 6.976 0.008 . 413 42 42 PHE HD2 H 6.976 0.008 . 414 42 42 PHE HE1 H 7.101 0.000 . 415 42 42 PHE HE2 H 7.101 0.000 . 416 42 42 PHE C C 176.313 0.000 . 417 42 42 PHE CA C 57.720 0.000 . 418 42 42 PHE CB C 41.630 0.000 . 419 42 42 PHE N N 125.226 0.032 . 420 43 43 GLU H H 8.589 0.002 . 421 43 43 GLU HA H 4.643 0.004 . 422 43 43 GLU HB2 H 1.495 0.004 . 423 43 43 GLU HB3 H 1.803 0.008 . 424 43 43 GLU HG2 H 2.125 0.003 . 425 43 43 GLU HG3 H 2.125 0.003 . 426 43 43 GLU C C 175.211 0.000 . 427 43 43 GLU CA C 55.131 0.000 . 428 43 43 GLU CB C 33.367 0.000 . 429 43 43 GLU CG C 34.888 0.022 . 430 43 43 GLU N N 121.397 0.048 . 431 44 44 ASP H H 8.729 0.004 . 432 44 44 ASP HA H 4.708 0.007 . 433 44 44 ASP HB2 H 2.442 0.011 . 434 44 44 ASP HB3 H 2.502 0.000 . 435 44 44 ASP C C 177.308 0.000 . 436 44 44 ASP CA C 53.737 0.060 . 437 44 44 ASP CB C 42.365 0.020 . 438 44 44 ASP N N 124.759 0.029 . 439 45 45 GLY H H 8.564 0.003 . 440 45 45 GLY HA2 H 3.623 0.007 . 441 45 45 GLY HA3 H 3.817 0.009 . 442 45 45 GLY C C 174.426 0.000 . 443 45 45 GLY CA C 46.367 0.032 . 444 45 45 GLY N N 108.414 0.024 . 445 46 46 LEU H H 7.130 0.005 . 446 46 46 LEU HA H 4.356 0.007 . 447 46 46 LEU HB2 H 1.653 0.019 . 448 46 46 LEU HB3 H 1.454 0.010 . 449 46 46 LEU HD1 H 0.617 0.009 . 450 46 46 LEU HD2 H 0.617 0.009 . 451 46 46 LEU C C 177.414 0.000 . 452 46 46 LEU CA C 54.189 0.027 . 453 46 46 LEU CB C 43.853 0.000 . 454 46 46 LEU CD1 C 23.068 0.000 . 455 46 46 LEU CD2 C 23.068 0.000 . 456 46 46 LEU N N 119.025 0.015 . 457 47 47 THR H H 9.042 0.007 . 458 47 47 THR HA H 4.326 0.000 . 459 47 47 THR HB H 4.170 0.002 . 460 47 47 THR CA C 67.458 0.000 . 461 47 47 THR N N 117.926 0.061 . 462 48 48 PRO HA H 4.163 0.006 . 463 48 48 PRO HB2 H 1.193 0.012 . 464 48 48 PRO HB3 H 1.746 0.004 . 465 48 48 PRO CA C 62.301 0.000 . 466 48 48 PRO CB C 31.524 0.000 . 467 48 48 PRO CG C 28.406 0.000 . 468 49 49 ASP H H 7.731 0.004 . 469 49 49 ASP HA H 4.336 0.009 . 470 49 49 ASP HB2 H 1.988 0.007 . 471 49 49 ASP HB3 H 2.176 0.014 . 472 49 49 ASP C C 174.082 0.000 . 473 49 49 ASP CA C 58.985 0.000 . 474 49 49 ASP CB C 43.773 0.000 . 475 49 49 ASP N N 116.671 0.038 . 476 50 50 PHE H H 7.324 0.004 . 477 50 50 PHE HA H 5.488 0.011 . 478 50 50 PHE HB2 H 2.225 0.013 . 479 50 50 PHE HB3 H 2.678 0.009 . 480 50 50 PHE HD1 H 7.049 0.005 . 481 50 50 PHE HD2 H 7.049 0.005 . 482 50 50 PHE HE1 H 6.950 0.005 . 483 50 50 PHE HE2 H 6.950 0.005 . 484 50 50 PHE HZ H 6.519 0.002 . 485 50 50 PHE C C 175.293 0.000 . 486 50 50 PHE CA C 55.516 0.000 . 487 50 50 PHE CB C 43.280 0.000 . 488 50 50 PHE N N 109.227 0.024 . 489 51 51 TYR H H 9.944 0.004 . 490 51 51 TYR HA H 4.717 0.007 . 491 51 51 TYR HB2 H 2.511 0.010 . 492 51 51 TYR HB3 H 2.864 0.005 . 493 51 51 TYR C C 174.427 0.000 . 494 51 51 TYR CA C 59.097 0.000 . 495 51 51 TYR CB C 39.893 0.000 . 496 51 51 TYR N N 122.688 0.030 . 497 52 52 LEU H H 8.225 0.007 . 498 52 52 LEU HA H 4.231 0.010 . 499 52 52 LEU HB2 H 1.333 0.007 . 500 52 52 LEU HB3 H 1.467 0.013 . 501 52 52 LEU HG H 2.114 0.000 . 502 52 52 LEU HD1 H 0.526 0.010 . 503 52 52 LEU HD2 H 0.616 0.012 . 504 52 52 LEU C C 175.771 0.000 . 505 52 52 LEU CA C 55.320 0.006 . 506 52 52 LEU CB C 42.874 0.035 . 507 52 52 LEU N N 121.948 0.028 . 508 53 53 SER H H 8.487 0.002 . 509 53 53 SER HA H 4.267 0.007 . 510 53 53 SER HB2 H 3.938 0.012 . 511 53 53 SER HB3 H 4.041 0.006 . 512 53 53 SER C C 173.134 0.000 . 513 53 53 SER CA C 56.843 0.000 . 514 53 53 SER CB C 64.642 0.000 . 515 53 53 SER N N 111.729 0.026 . 516 54 54 ASN H H 8.682 0.006 . 517 54 54 ASN HA H 4.388 0.013 . 518 54 54 ASN HB2 H 2.738 0.005 . 519 54 54 ASN HB3 H 2.738 0.005 . 520 54 54 ASN C C 175.095 0.000 . 521 54 54 ASN CA C 55.905 0.000 . 522 54 54 ASN CB C 37.761 0.000 . 523 54 54 ASN N N 116.204 0.025 . 524 55 55 ARG H H 7.783 0.004 . 525 55 55 ARG HA H 4.607 0.010 . 526 55 55 ARG HB2 H 1.530 0.011 . 527 55 55 ARG HB3 H 1.971 0.005 . 528 55 55 ARG HG2 H 1.443 0.001 . 529 55 55 ARG HG3 H 1.431 0.004 . 530 55 55 ARG HD2 H 2.568 0.000 . 531 55 55 ARG HD3 H 3.044 0.004 . 532 55 55 ARG C C 175.506 0.000 . 533 55 55 ARG CA C 55.586 0.000 . 534 55 55 ARG CB C 31.688 0.000 . 535 55 55 ARG CG C 27.107 0.000 . 536 55 55 ARG CD C 43.465 0.000 . 537 55 55 ARG N N 112.605 0.034 . 538 56 56 CYS H H 7.379 0.006 . 539 56 56 CYS HA H 5.194 0.009 . 540 56 56 CYS HB2 H 2.527 0.009 . 541 56 56 CYS HB3 H 2.612 0.014 . 542 56 56 CYS C C 172.619 0.000 . 543 56 56 CYS CA C 58.099 0.000 . 544 56 56 CYS CB C 28.338 0.000 . 545 56 56 CYS N N 122.261 0.038 . 546 57 57 CYS H H 8.980 0.006 . 547 57 57 CYS HA H 5.380 0.009 . 548 57 57 CYS HB2 H 2.033 0.011 . 549 57 57 CYS HB3 H 2.273 0.014 . 550 57 57 CYS C C 160.640 0.000 . 551 57 57 CYS CA C 54.521 0.000 . 552 57 57 CYS CB C 32.506 0.000 . 553 57 57 CYS N N 124.705 0.017 . 554 58 58 ILE H H 8.960 0.009 . 555 58 58 ILE HA H 5.181 0.008 . 556 58 58 ILE HB H 1.753 0.007 . 557 58 58 ILE HG12 H 0.947 0.017 . 558 58 58 ILE HG13 H 1.252 0.016 . 559 58 58 ILE HG2 H 0.754 0.012 . 560 58 58 ILE HD1 H 0.554 0.008 . 561 58 58 ILE C C 175.707 0.000 . 562 58 58 ILE CA C 58.535 0.000 . 563 58 58 ILE CB C 41.538 0.096 . 564 58 58 ILE CG1 C 27.308 0.006 . 565 58 58 ILE CG2 C 46.913 0.000 . 566 58 58 ILE CD1 C 16.802 0.000 . 567 58 58 ILE N N 118.279 0.027 . 568 59 59 LEU H H 9.078 0.004 . 569 59 59 LEU HA H 4.716 0.010 . 570 59 59 LEU HB2 H 1.211 0.008 . 571 59 59 LEU HB3 H 1.676 0.008 . 572 59 59 LEU HG H 1.448 0.009 . 573 59 59 LEU HD1 H 0.716 0.007 . 574 59 59 LEU HD2 H 0.716 0.007 . 575 59 59 LEU C C 172.275 0.000 . 576 59 59 LEU CA C 53.756 0.000 . 577 59 59 LEU CB C 42.530 0.030 . 578 59 59 LEU CG C 27.815 0.031 . 579 59 59 LEU CD1 C 25.537 0.066 . 580 59 59 LEU CD2 C 25.537 0.066 . 581 59 59 LEU N N 130.422 0.049 . 582 60 60 TYR H H 10.120 0.004 . 583 60 60 TYR HA H 5.110 0.009 . 584 60 60 TYR HB2 H 2.114 0.006 . 585 60 60 TYR HB3 H 3.124 0.009 . 586 60 60 TYR HD1 H 6.479 0.000 . 587 60 60 TYR HD2 H 6.479 0.000 . 588 60 60 TYR C C 174.911 0.000 . 589 60 60 TYR CA C 56.689 0.000 . 590 60 60 TYR CB C 41.643 0.000 . 591 60 60 TYR N N 129.820 0.037 . 592 61 61 VAL H H 8.903 0.006 . 593 61 61 VAL HA H 4.232 0.009 . 594 61 61 VAL HB H 1.519 0.013 . 595 61 61 VAL HG1 H 0.397 0.010 . 596 61 61 VAL HG2 H 0.558 0.009 . 597 61 61 VAL C C 174.433 0.000 . 598 61 61 VAL CA C 61.641 0.000 . 599 61 61 VAL CB C 33.305 0.000 . 600 61 61 VAL CG1 C 20.931 0.336 . 601 61 61 VAL CG2 C 20.380 0.016 . 602 61 61 VAL N N 132.504 0.019 . 603 62 62 THR H H 8.559 0.003 . 604 62 62 THR HA H 4.024 0.012 . 605 62 62 THR HB H 4.630 0.017 . 606 62 62 THR HG2 H 1.354 0.012 . 607 62 62 THR C C 175.118 0.000 . 608 62 62 THR CA C 60.650 0.000 . 609 62 62 THR CB C 72.134 0.000 . 610 62 62 THR CG2 C 22.094 0.103 . 611 62 62 THR N N 116.863 0.032 . 612 63 63 GLU H H 9.165 0.033 . 613 63 63 GLU HA H 3.776 0.005 . 614 63 63 GLU HB2 H 1.962 0.004 . 615 63 63 GLU HB3 H 2.038 0.000 . 616 63 63 GLU HG2 H 1.971 0.000 . 617 63 63 GLU HG3 H 1.971 0.000 . 618 63 63 GLU C C 177.194 0.000 . 619 63 63 GLU CA C 60.496 0.000 . 620 63 63 GLU CB C 30.709 0.000 . 621 63 63 GLU CG C 37.337 0.000 . 622 63 63 GLU N N 120.767 0.042 . 623 64 64 ALA H H 7.919 0.003 . 624 64 64 ALA HA H 3.998 0.000 . 625 64 64 ALA HB H 1.213 0.015 . 626 64 64 ALA C C 180.477 0.000 . 627 64 64 ALA CA C 54.912 0.000 . 628 64 64 ALA CB C 17.899 0.000 . 629 64 64 ALA N N 119.167 0.024 . 630 65 65 ASP H H 7.851 0.006 . 631 65 65 ASP HA H 4.026 0.012 . 632 65 65 ASP HB2 H 2.145 0.016 . 633 65 65 ASP HB3 H 3.021 0.006 . 634 65 65 ASP C C 177.891 0.000 . 635 65 65 ASP CA C 57.412 0.000 . 636 65 65 ASP CB C 41.112 0.000 . 637 65 65 ASP N N 119.995 0.045 . 638 66 66 LEU H H 7.210 0.008 . 639 66 66 LEU HA H 3.813 0.012 . 640 66 66 LEU HB2 H 0.997 0.011 . 641 66 66 LEU HB3 H 1.543 0.004 . 642 66 66 LEU HG H 1.310 0.009 . 643 66 66 LEU HD1 H 0.353 0.006 . 644 66 66 LEU HD2 H 0.639 0.013 . 645 66 66 LEU C C 178.892 0.000 . 646 66 66 LEU CA C 56.943 0.000 . 647 66 66 LEU CB C 41.700 0.000 . 648 66 66 LEU CD1 C 23.909 0.074 . 649 66 66 LEU CD2 C 26.274 0.029 . 650 66 66 LEU N N 118.585 0.011 . 651 67 67 VAL H H 7.774 0.004 . 652 67 67 VAL HA H 3.088 0.005 . 653 67 67 VAL HB H 1.835 0.013 . 654 67 67 VAL HG1 H 0.758 0.015 . 655 67 67 VAL HG2 H 0.842 0.006 . 656 67 67 VAL C C 177.430 0.000 . 657 67 67 VAL CA C 64.392 0.000 . 658 67 67 VAL CB C 31.974 0.098 . 659 67 67 VAL CG1 C 21.030 0.022 . 660 67 67 VAL CG2 C 21.946 0.181 . 661 67 67 VAL N N 117.714 0.023 . 662 68 68 ALA H H 7.336 0.003 . 663 68 68 ALA HA H 3.992 0.005 . 664 68 68 ALA HB H 1.313 0.013 . 665 68 68 ALA C C 178.127 0.000 . 666 68 68 ALA CA C 53.540 0.000 . 667 68 68 ALA CB C 18.849 0.000 . 668 68 68 ALA N N 120.210 0.024 . 669 69 69 GLY H H 7.143 0.002 . 670 69 69 GLY HA2 H 3.505 0.003 . 671 69 69 GLY HA3 H 4.327 0.013 . 672 69 69 GLY C C 173.298 0.000 . 673 69 69 GLY CA C 45.057 0.000 . 674 69 69 GLY N N 106.149 0.026 . 675 70 70 ASN H H 8.316 0.005 . 676 70 70 ASN HA H 4.855 0.013 . 677 70 70 ASN HB2 H 2.353 0.000 . 678 70 70 ASN HB3 H 2.428 0.008 . 679 70 70 ASN C C 177.766 0.000 . 680 70 70 ASN CA C 52.611 0.000 . 681 70 70 ASN CB C 38.356 0.000 . 682 70 70 ASN N N 118.879 0.030 . 683 71 71 GLY H H 8.812 0.005 . 684 71 71 GLY HA2 H 3.530 0.015 . 685 71 71 GLY HA3 H 3.759 0.011 . 686 71 71 GLY C C 176.515 0.000 . 687 71 71 GLY CA C 47.575 0.000 . 688 71 71 GLY N N 114.725 0.030 . 689 72 72 TYR H H 8.067 0.005 . 690 72 72 TYR HA H 4.182 0.007 . 691 72 72 TYR HB2 H 2.745 0.008 . 692 72 72 TYR HB3 H 2.932 0.006 . 693 72 72 TYR HD1 H 6.895 0.001 . 694 72 72 TYR HD2 H 6.895 0.001 . 695 72 72 TYR C C 176.205 0.000 . 696 72 72 TYR CA C 59.287 0.000 . 697 72 72 TYR CB C 37.305 0.000 . 698 72 72 TYR N N 118.594 0.055 . 699 73 73 ARG H H 6.715 0.007 . 700 73 73 ARG HA H 3.261 0.008 . 701 73 73 ARG HB2 H 1.205 0.012 . 702 73 73 ARG HB3 H 1.283 0.009 . 703 73 73 ARG C C 177.612 0.000 . 704 73 73 ARG CA C 59.984 0.000 . 705 73 73 ARG CB C 29.286 0.000 . 706 73 73 ARG N N 119.967 0.019 . 707 74 74 LYS H H 7.169 0.004 . 708 74 74 LYS HA H 3.728 0.005 . 709 74 74 LYS HB2 H 1.667 0.017 . 710 74 74 LYS HB3 H 1.667 0.017 . 711 74 74 LYS HG2 H 1.240 0.009 . 712 74 74 LYS HG3 H 1.344 0.017 . 713 74 74 LYS HD2 H 1.510 0.015 . 714 74 74 LYS HD3 H 1.510 0.015 . 715 74 74 LYS HE2 H 2.803 0.012 . 716 74 74 LYS HE3 H 2.803 0.012 . 717 74 74 LYS C C 179.161 0.000 . 718 74 74 LYS CA C 59.770 0.000 . 719 74 74 LYS CB C 32.037 0.120 . 720 74 74 LYS CG C 25.330 0.000 . 721 74 74 LYS CD C 29.218 0.056 . 722 74 74 LYS CE C 42.486 0.145 . 723 74 74 LYS N N 116.928 0.043 . 724 75 75 ARG H H 7.511 0.005 . 725 75 75 ARG HA H 3.753 0.013 . 726 75 75 ARG HB2 H 1.581 0.005 . 727 75 75 ARG HB3 H 1.759 0.014 . 728 75 75 ARG HG2 H 1.308 0.003 . 729 75 75 ARG HG3 H 1.308 0.003 . 730 75 75 ARG C C 177.176 0.000 . 731 75 75 ARG CA C 59.596 0.000 . 732 75 75 ARG CB C 31.110 0.000 . 733 75 75 ARG CG C 27.968 0.000 . 734 75 75 ARG N N 117.727 0.040 . 735 76 76 LEU H H 6.770 0.004 . 736 76 76 LEU HA H 3.575 0.011 . 737 76 76 LEU HB2 H 1.565 0.016 . 738 76 76 LEU HB3 H 1.835 0.018 . 739 76 76 LEU HG H 1.733 0.015 . 740 76 76 LEU HD1 H 0.874 0.013 . 741 76 76 LEU HD2 H 0.939 0.005 . 742 76 76 LEU C C 178.325 0.000 . 743 76 76 LEU CA C 59.496 0.000 . 744 76 76 LEU CB C 41.124 0.000 . 745 76 76 LEU CD1 C 26.582 0.038 . 746 76 76 LEU CD2 C 25.110 0.000 . 747 76 76 LEU N N 118.105 0.023 . 748 77 77 VAL H H 7.800 0.005 . 749 77 77 VAL HA H 3.243 0.010 . 750 77 77 VAL HB H 1.899 0.019 . 751 77 77 VAL HG1 H 0.780 0.009 . 752 77 77 VAL HG2 H 1.048 0.009 . 753 77 77 VAL C C 177.335 0.000 . 754 77 77 VAL CA C 66.596 0.000 . 755 77 77 VAL CB C 31.703 0.000 . 756 77 77 VAL CG1 C 21.311 0.057 . 757 77 77 VAL CG2 C 23.577 0.039 . 758 77 77 VAL N N 117.854 0.051 . 759 78 78 ARG H H 7.385 0.007 . 760 78 78 ARG HA H 3.872 0.008 . 761 78 78 ARG HB2 H 1.752 0.006 . 762 78 78 ARG HB3 H 1.752 0.006 . 763 78 78 ARG HG2 H 1.448 0.008 . 764 78 78 ARG HG3 H 1.626 0.007 . 765 78 78 ARG HD2 H 3.006 0.008 . 766 78 78 ARG HD3 H 3.006 0.008 . 767 78 78 ARG HE H 2.994 0.000 . 768 78 78 ARG C C 179.484 0.000 . 769 78 78 ARG CA C 59.337 0.000 . 770 78 78 ARG CB C 29.921 0.041 . 771 78 78 ARG CG C 27.496 0.132 . 772 78 78 ARG CD C 43.446 0.000 . 773 78 78 ARG N N 118.783 0.029 . 774 79 79 VAL H H 7.374 0.008 . 775 79 79 VAL HA H 3.434 0.008 . 776 79 79 VAL HB H 1.850 0.008 . 777 79 79 VAL HG1 H 0.531 0.012 . 778 79 79 VAL HG2 H 0.803 0.019 . 779 79 79 VAL C C 177.902 0.000 . 780 79 79 VAL CA C 66.771 0.000 . 781 79 79 VAL CB C 31.327 0.000 . 782 79 79 VAL CG1 C 21.078 0.008 . 783 79 79 VAL CG2 C 24.000 0.028 . 784 79 79 VAL N N 118.747 0.036 . 785 80 80 ARG H H 8.268 0.003 . 786 80 80 ARG HA H 3.960 0.007 . 787 80 80 ARG HB2 H 1.891 0.000 . 788 80 80 ARG HB3 H 1.773 0.012 . 789 80 80 ARG HG2 H 1.522 0.014 . 790 80 80 ARG HG3 H 1.522 0.014 . 791 80 80 ARG HD2 H 2.802 0.002 . 792 80 80 ARG HD3 H 2.802 0.002 . 793 80 80 ARG C C 177.893 0.000 . 794 80 80 ARG CA C 58.256 0.000 . 795 80 80 ARG CB C 29.141 0.002 . 796 80 80 ARG CG C 27.147 0.065 . 797 80 80 ARG CD C 42.993 0.029 . 798 80 80 ARG N N 122.868 0.028 . 799 81 81 ASN H H 7.878 0.005 . 800 81 81 ASN HA H 4.528 0.007 . 801 81 81 ASN HB2 H 2.636 0.003 . 802 81 81 ASN HB3 H 2.831 0.004 . 803 81 81 ASN C C 175.329 0.000 . 804 81 81 ASN CA C 53.553 0.000 . 805 81 81 ASN CB C 38.358 0.000 . 806 81 81 ASN N N 115.469 0.080 . 807 82 82 SER H H 7.528 0.008 . 808 82 82 SER HA H 4.350 0.005 . 809 82 82 SER HB2 H 3.861 0.008 . 810 82 82 SER HB3 H 4.016 0.005 . 811 82 82 SER C C 175.243 0.000 . 812 82 82 SER CA C 59.045 0.000 . 813 82 82 SER CB C 63.929 0.000 . 814 82 82 SER N N 117.226 0.033 . 815 83 83 ASN H H 8.348 0.005 . 816 83 83 ASN HA H 4.402 0.013 . 817 83 83 ASN HB2 H 2.656 0.005 . 818 83 83 ASN HB3 H 2.656 0.005 . 819 83 83 ASN C C 175.260 0.000 . 820 83 83 ASN CA C 54.583 0.000 . 821 83 83 ASN CB C 38.909 0.000 . 822 83 83 ASN N N 121.059 0.058 . 823 84 84 ASN H H 8.466 0.002 . 824 84 84 ASN HA H 4.422 0.007 . 825 84 84 ASN HB2 H 2.654 0.004 . 826 84 84 ASN HB3 H 2.654 0.004 . 827 84 84 ASN C C 173.609 0.000 . 828 84 84 ASN CA C 53.753 0.000 . 829 84 84 ASN CB C 38.551 0.000 . 830 84 84 ASN N N 117.070 0.032 . 831 85 85 LEU H H 7.453 0.007 . 832 85 85 LEU HA H 4.518 0.011 . 833 85 85 LEU HB2 H 1.316 0.008 . 834 85 85 LEU HB3 H 1.316 0.008 . 835 85 85 LEU HG H 1.357 0.000 . 836 85 85 LEU HD1 H 0.763 0.013 . 837 85 85 LEU HD2 H 0.763 0.013 . 838 85 85 LEU C C 175.397 0.000 . 839 85 85 LEU CA C 54.094 0.000 . 840 85 85 LEU CB C 44.902 0.000 . 841 85 85 LEU CD1 C 24.511 0.008 . 842 85 85 LEU CD2 C 24.942 0.000 . 843 85 85 LEU N N 119.048 0.037 . 844 86 86 LYS H H 8.242 0.006 . 845 86 86 LYS HA H 4.397 0.007 . 846 86 86 LYS HB2 H 1.711 0.003 . 847 86 86 LYS HB3 H 1.660 0.004 . 848 86 86 LYS HG2 H 1.119 0.016 . 849 86 86 LYS HG3 H 1.328 0.007 . 850 86 86 LYS HD2 H 1.554 0.009 . 851 86 86 LYS HD3 H 1.554 0.009 . 852 86 86 LYS C C 175.209 0.000 . 853 86 86 LYS CA C 54.934 0.000 . 854 86 86 LYS CB C 33.581 0.004 . 855 86 86 LYS CG C 25.031 0.000 . 856 86 86 LYS CD C 29.355 0.000 . 857 86 86 LYS CE C 42.107 0.000 . 858 86 86 LYS N N 125.959 0.041 . 859 87 87 GLY H H 8.840 0.003 . 860 87 87 GLY HA2 H 2.921 0.008 . 861 87 87 GLY HA3 H 4.730 0.007 . 862 87 87 GLY C C 171.780 0.000 . 863 87 87 GLY CA C 44.894 0.000 . 864 87 87 GLY N N 113.359 0.028 . 865 88 88 ILE H H 8.411 0.004 . 866 88 88 ILE HA H 4.077 0.005 . 867 88 88 ILE HB H 1.534 0.008 . 868 88 88 ILE HD1 H 0.494 0.008 . 869 88 88 ILE C C 174.254 0.000 . 870 88 88 ILE CA C 60.766 0.000 . 871 88 88 ILE CB C 40.483 0.000 . 872 88 88 ILE CG1 C 17.033 0.000 . 873 88 88 ILE CG2 C 27.467 0.000 . 874 88 88 ILE CD1 C 14.085 0.000 . 875 88 88 ILE N N 125.743 0.021 . 876 89 89 VAL H H 8.859 0.004 . 877 89 89 VAL HA H 4.762 0.008 . 878 89 89 VAL HB H 2.021 0.009 . 879 89 89 VAL HG1 H 0.520 0.005 . 880 89 89 VAL HG2 H 0.768 0.009 . 881 89 89 VAL C C 174.205 0.000 . 882 89 89 VAL CA C 61.224 0.000 . 883 89 89 VAL CB C 31.924 0.000 . 884 89 89 VAL CG1 C 21.030 0.000 . 885 89 89 VAL CG2 C 23.126 0.000 . 886 89 89 VAL N N 129.556 0.045 . 887 90 90 VAL H H 8.747 0.011 . 888 90 90 VAL HA H 4.804 0.010 . 889 90 90 VAL HB H 1.487 0.005 . 890 90 90 VAL HG1 H 0.654 0.001 . 891 90 90 VAL HG2 H 0.654 0.001 . 892 90 90 VAL C C 173.650 0.000 . 893 90 90 VAL CA C 60.478 0.000 . 894 90 90 VAL CB C 33.666 0.000 . 895 90 90 VAL CG1 C 22.406 0.000 . 896 90 90 VAL CG2 C 22.406 0.000 . 897 90 90 VAL N N 130.678 0.024 . 898 91 91 VAL H H 7.758 0.006 . 899 91 91 VAL HA H 5.019 0.011 . 900 91 91 VAL HB H 1.371 0.010 . 901 91 91 VAL HG1 H 0.645 0.002 . 902 91 91 VAL HG2 H 0.588 0.005 . 903 91 91 VAL C C 173.241 0.000 . 904 91 91 VAL CA C 56.898 0.000 . 905 91 91 VAL CB C 35.349 0.000 . 906 91 91 VAL CG1 C 20.611 0.000 . 907 91 91 VAL CG2 C 22.622 0.000 . 908 91 91 VAL N N 122.793 0.022 . 909 92 92 GLU H H 7.501 0.005 . 910 92 92 GLU HA H 4.208 0.014 . 911 92 92 GLU HB2 H 1.472 0.008 . 912 92 92 GLU HB3 H 1.896 0.015 . 913 92 92 GLU HG2 H 2.109 0.007 . 914 92 92 GLU HG3 H 2.109 0.007 . 915 92 92 GLU C C 173.665 0.000 . 916 92 92 GLU CA C 55.740 0.000 . 917 92 92 GLU CB C 29.433 0.000 . 918 92 92 GLU CG C 36.099 0.026 . 919 92 92 GLU N N 125.925 0.025 . 920 93 93 LYS H H 9.015 0.004 . 921 93 93 LYS HA H 4.033 0.012 . 922 93 93 LYS HB2 H 0.849 0.016 . 923 93 93 LYS HB3 H 1.531 0.017 . 924 93 93 LYS HG2 H 2.141 0.010 . 925 93 93 LYS HG3 H 2.141 0.010 . 926 93 93 LYS HD2 H 0.464 0.011 . 927 93 93 LYS HD3 H 0.859 0.008 . 928 93 93 LYS C C 173.582 0.000 . 929 93 93 LYS CA C 55.460 0.000 . 930 93 93 LYS CB C 33.506 0.018 . 931 93 93 LYS CG C 25.328 0.000 . 932 93 93 LYS CD C 29.046 0.054 . 933 93 93 LYS N N 132.415 0.030 . 934 94 94 THR H H 8.288 0.007 . 935 94 94 THR HA H 4.600 0.010 . 936 94 94 THR C C 174.933 0.000 . 937 94 94 THR CA C 58.678 0.000 . 938 94 94 THR CB C 72.561 0.000 . 939 94 94 THR CG2 C 21.348 0.000 . 940 94 94 THR N N 118.315 0.046 . 941 95 95 ARG H H 8.719 0.003 . 942 95 95 ARG HA H 3.960 0.006 . 943 95 95 ARG HB2 H 1.720 0.013 . 944 95 95 ARG HB3 H 1.720 0.013 . 945 95 95 ARG HG2 H 1.559 0.005 . 946 95 95 ARG HG3 H 1.559 0.005 . 947 95 95 ARG HD2 H 3.076 0.005 . 948 95 95 ARG HD3 H 3.076 0.005 . 949 95 95 ARG C C 178.617 0.000 . 950 95 95 ARG CA C 59.240 0.000 . 951 95 95 ARG CB C 29.480 0.000 . 952 95 95 ARG CG C 27.180 0.000 . 953 95 95 ARG CD C 43.115 0.000 . 954 95 95 ARG N N 119.684 0.035 . 955 96 96 MET H H 7.895 0.005 . 956 96 96 MET HA H 4.332 0.009 . 957 96 96 MET HB2 H 1.866 0.001 . 958 96 96 MET HB3 H 1.866 0.001 . 959 96 96 MET HG2 H 2.350 0.009 . 960 96 96 MET HG3 H 2.460 0.005 . 961 96 96 MET C C 177.312 0.000 . 962 96 96 MET CA C 56.615 0.000 . 963 96 96 MET CB C 32.723 0.000 . 964 96 96 MET CG C 30.068 0.000 . 965 96 96 MET N N 115.656 0.051 . 966 97 97 SER H H 8.108 0.004 . 967 97 97 SER HA H 4.648 0.015 . 968 97 97 SER HB2 H 3.712 0.002 . 969 97 97 SER HB3 H 4.470 0.005 . 970 97 97 SER C C 176.743 0.000 . 971 97 97 SER CA C 58.484 0.000 . 972 97 97 SER CB C 65.103 0.000 . 973 97 97 SER N N 114.024 0.022 . 974 98 98 GLU H H 8.229 0.007 . 975 98 98 GLU HA H 3.689 0.005 . 976 98 98 GLU HB2 H 1.829 0.004 . 977 98 98 GLU HB3 H 1.916 0.000 . 978 98 98 GLU HG2 H 1.919 0.013 . 979 98 98 GLU HG3 H 2.130 0.006 . 980 98 98 GLU C C 178.994 0.000 . 981 98 98 GLU CA C 60.482 0.000 . 982 98 98 GLU CB C 29.096 0.000 . 983 98 98 GLU CG C 35.507 0.000 . 984 98 98 GLU N N 124.701 0.050 . 985 99 99 GLN H H 8.464 0.007 . 986 99 99 GLN HA H 4.008 0.006 . 987 99 99 GLN HB2 H 1.554 0.015 . 988 99 99 GLN HB3 H 1.750 0.007 . 989 99 99 GLN HG2 H 0.918 0.004 . 990 99 99 GLN HG3 H 1.608 0.011 . 991 99 99 GLN C C 176.402 0.000 . 992 99 99 GLN CA C 58.127 0.000 . 993 99 99 GLN CB C 28.135 0.000 . 994 99 99 GLN CG C 32.432 0.000 . 995 99 99 GLN N N 117.637 0.026 . 996 100 100 TYR H H 7.688 0.002 . 997 100 100 TYR HA H 4.512 0.011 . 998 100 100 TYR HB2 H 2.731 0.007 . 999 100 100 TYR HB3 H 3.228 0.007 . 1000 100 100 TYR HD1 H 7.012 0.004 . 1001 100 100 TYR HD2 H 7.012 0.004 . 1002 100 100 TYR C C 176.132 0.000 . 1003 100 100 TYR CA C 58.029 0.000 . 1004 100 100 TYR CB C 39.600 0.000 . 1005 100 100 TYR N N 118.538 0.044 . 1006 101 101 PHE H H 7.916 0.007 . 1007 101 101 PHE HA H 4.098 0.006 . 1008 101 101 PHE HB2 H 3.085 0.010 . 1009 101 101 PHE HB3 H 3.235 0.007 . 1010 101 101 PHE HD1 H 6.978 0.004 . 1011 101 101 PHE HD2 H 6.978 0.004 . 1012 101 101 PHE C C 173.115 0.000 . 1013 101 101 PHE CA C 63.389 0.000 . 1014 101 101 PHE CB C 37.438 0.072 . 1015 101 101 PHE N N 121.713 0.024 . 1016 102 102 PRO HA H 4.078 0.007 . 1017 102 102 PRO HB2 H 1.574 0.000 . 1018 102 102 PRO HB3 H 1.574 0.000 . 1019 102 102 PRO C C 179.371 0.000 . 1020 102 102 PRO CA C 67.173 0.000 . 1021 102 102 PRO CB C 30.497 0.000 . 1022 103 103 ALA H H 8.030 0.005 . 1023 103 103 ALA HA H 4.043 0.004 . 1024 103 103 ALA HB H 1.336 0.004 . 1025 103 103 ALA C C 180.693 0.000 . 1026 103 103 ALA CA C 54.322 0.000 . 1027 103 103 ALA CB C 18.420 0.000 . 1028 103 103 ALA N N 119.259 0.039 . 1029 104 104 LEU H H 7.161 0.004 . 1030 104 104 LEU HA H 4.164 0.008 . 1031 104 104 LEU HB2 H 1.383 0.013 . 1032 104 104 LEU HB3 H 1.591 0.013 . 1033 104 104 LEU HD1 H 0.381 0.017 . 1034 104 104 LEU HD2 H 0.561 0.004 . 1035 104 104 LEU C C 179.295 0.000 . 1036 104 104 LEU CA C 58.235 0.000 . 1037 104 104 LEU CB C 41.154 0.000 . 1038 104 104 LEU CD1 C 25.223 0.000 . 1039 104 104 LEU CD2 C 27.556 0.000 . 1040 104 104 LEU N N 121.207 0.023 . 1041 105 105 GLN H H 8.836 0.005 . 1042 105 105 GLN HA H 3.451 0.007 . 1043 105 105 GLN HB2 H 1.194 0.008 . 1044 105 105 GLN HB3 H 1.913 0.004 . 1045 105 105 GLN HG2 H 2.031 0.009 . 1046 105 105 GLN HG3 H 2.031 0.009 . 1047 105 105 GLN C C 176.984 0.000 . 1048 105 105 GLN CA C 59.986 0.000 . 1049 105 105 GLN CB C 27.878 0.000 . 1050 105 105 GLN CG C 33.440 0.000 . 1051 105 105 GLN N N 123.941 0.031 . 1052 106 106 LYS H H 7.692 0.006 . 1053 106 106 LYS HA H 3.752 0.012 . 1054 106 106 LYS HB2 H 1.778 0.013 . 1055 106 106 LYS HB3 H 1.778 0.013 . 1056 106 106 LYS HG2 H 0.780 0.001 . 1057 106 106 LYS HG3 H 0.780 0.001 . 1058 106 106 LYS HD2 H 1.515 0.010 . 1059 106 106 LYS HD3 H 1.515 0.010 . 1060 106 106 LYS HE2 H 2.780 0.009 . 1061 106 106 LYS HE3 H 2.780 0.009 . 1062 106 106 LYS C C 177.834 0.000 . 1063 106 106 LYS CA C 60.337 0.000 . 1064 106 106 LYS CB C 32.380 0.000 . 1065 106 106 LYS CG C 25.320 0.000 . 1066 106 106 LYS CD C 29.254 0.000 . 1067 106 106 LYS CE C 42.366 0.000 . 1068 106 106 LYS N N 119.943 0.064 . 1069 107 107 PHE H H 7.514 0.005 . 1070 107 107 PHE HA H 4.378 0.010 . 1071 107 107 PHE HB2 H 2.842 0.004 . 1072 107 107 PHE HB3 H 3.185 0.006 . 1073 107 107 PHE HD1 H 7.125 0.007 . 1074 107 107 PHE HD2 H 7.125 0.007 . 1075 107 107 PHE C C 176.089 0.000 . 1076 107 107 PHE CA C 60.327 0.000 . 1077 107 107 PHE CB C 40.477 0.000 . 1078 107 107 PHE N N 117.769 0.032 . 1079 108 108 THR H H 8.541 0.004 . 1080 108 108 THR HA H 3.196 0.017 . 1081 108 108 THR HB H 3.774 0.005 . 1082 108 108 THR HG2 H 0.904 0.010 . 1083 108 108 THR C C 174.656 0.000 . 1084 108 108 THR CA C 67.885 0.000 . 1085 108 108 THR CB C 69.292 0.000 . 1086 108 108 THR CG2 C 23.207 0.000 . 1087 108 108 THR N N 112.966 0.031 . 1088 109 109 VAL H H 8.065 0.005 . 1089 109 109 VAL HA H 3.953 0.004 . 1090 109 109 VAL HB H 1.979 0.011 . 1091 109 109 VAL HG1 H 0.745 0.009 . 1092 109 109 VAL HG2 H 0.933 0.006 . 1093 109 109 VAL C C 178.009 0.000 . 1094 109 109 VAL CA C 65.110 0.000 . 1095 109 109 VAL CB C 32.327 0.000 . 1096 109 109 VAL CG1 C 20.825 0.000 . 1097 109 109 VAL CG2 C 22.805 0.000 . 1098 109 109 VAL N N 118.515 0.062 . 1099 110 110 LEU H H 7.224 0.005 . 1100 110 110 LEU HA H 4.157 0.008 . 1101 110 110 LEU HB2 H 1.470 0.011 . 1102 110 110 LEU HB3 H 2.000 0.012 . 1103 110 110 LEU HD1 H 0.750 0.005 . 1104 110 110 LEU HD2 H 0.750 0.005 . 1105 110 110 LEU C C 178.351 0.000 . 1106 110 110 LEU CA C 57.133 0.000 . 1107 110 110 LEU CB C 40.985 0.000 . 1108 110 110 LEU CG C 27.310 0.000 . 1109 110 110 LEU CD1 C 23.119 0.000 . 1110 110 110 LEU CD2 C 25.103 0.000 . 1111 110 110 LEU N N 118.627 0.024 . 1112 111 111 ASP H H 7.719 0.004 . 1113 111 111 ASP HA H 4.325 0.008 . 1114 111 111 ASP HB2 H 2.257 0.007 . 1115 111 111 ASP HB3 H 3.045 0.008 . 1116 111 111 ASP C C 178.644 0.000 . 1117 111 111 ASP CA C 57.243 0.000 . 1118 111 111 ASP CB C 39.330 0.035 . 1119 111 111 ASP N N 119.092 0.036 . 1120 112 112 LEU H H 7.306 0.004 . 1121 112 112 LEU HA H 4.044 0.004 . 1122 112 112 LEU HB2 H 1.058 0.005 . 1123 112 112 LEU HB3 H 1.867 0.012 . 1124 112 112 LEU HD1 H 0.333 0.009 . 1125 112 112 LEU HD2 H 0.737 0.001 . 1126 112 112 LEU C C 177.936 0.000 . 1127 112 112 LEU CA C 55.507 0.000 . 1128 112 112 LEU CB C 42.142 0.055 . 1129 112 112 LEU CD1 C 22.386 0.000 . 1130 112 112 LEU CD2 C 27.697 0.000 . 1131 112 112 LEU N N 114.990 0.031 . 1132 113 113 GLY H H 6.651 0.006 . 1133 113 113 GLY HA2 H 3.687 0.002 . 1134 113 113 GLY HA3 H 3.884 0.016 . 1135 113 113 GLY C C 175.161 0.000 . 1136 113 113 GLY CA C 47.080 0.000 . 1137 113 113 GLY N N 108.097 0.061 . 1138 114 114 MET H H 8.107 0.005 . 1139 114 114 MET HA H 4.441 0.006 . 1140 114 114 MET HB2 H 1.438 0.005 . 1141 114 114 MET HB3 H 1.864 0.007 . 1142 114 114 MET HG2 H 2.164 0.010 . 1143 114 114 MET HG3 H 2.347 0.006 . 1144 114 114 MET C C 174.467 0.000 . 1145 114 114 MET CA C 55.303 0.000 . 1146 114 114 MET CB C 35.820 0.000 . 1147 114 114 MET CG C 33.362 0.000 . 1148 114 114 MET N N 119.916 0.045 . 1149 115 115 VAL H H 7.414 0.005 . 1150 115 115 VAL HA H 3.723 0.003 . 1151 115 115 VAL HB H 1.718 0.011 . 1152 115 115 VAL HG1 H 0.728 0.015 . 1153 115 115 VAL HG2 H 0.845 0.010 . 1154 115 115 VAL C C 173.084 0.000 . 1155 115 115 VAL CA C 62.921 0.000 . 1156 115 115 VAL CB C 33.192 0.000 . 1157 115 115 VAL CG1 C 21.358 0.000 . 1158 115 115 VAL CG2 C 21.358 0.000 . 1159 115 115 VAL N N 120.592 0.027 . 1160 116 116 LEU H H 7.872 0.003 . 1161 116 116 LEU HA H 5.176 0.009 . 1162 116 116 LEU HB2 H 0.922 0.016 . 1163 116 116 LEU HB3 H 1.618 0.007 . 1164 116 116 LEU HD1 H 0.582 0.009 . 1165 116 116 LEU HD2 H 0.557 0.002 . 1166 116 116 LEU C C 175.304 0.000 . 1167 116 116 LEU CA C 53.335 0.000 . 1168 116 116 LEU CB C 45.512 0.043 . 1169 116 116 LEU CD1 C 24.872 0.000 . 1170 116 116 LEU CD2 C 27.045 0.015 . 1171 116 116 LEU N N 128.303 0.062 . 1172 117 117 LEU H H 9.331 0.005 . 1173 117 117 LEU HA H 4.922 0.007 . 1174 117 117 LEU HB2 H 1.260 0.010 . 1175 117 117 LEU HB3 H 1.579 0.009 . 1176 117 117 LEU C C 173.512 0.000 . 1177 117 117 LEU CA C 51.061 0.000 . 1178 117 117 LEU CB C 43.824 0.021 . 1179 117 117 LEU N N 129.470 0.033 . 1180 118 118 PRO HA H 5.167 0.009 . 1181 118 118 PRO HB2 H 1.710 0.008 . 1182 118 118 PRO HB3 H 1.710 0.008 . 1183 118 118 PRO C C 176.784 0.000 . 1184 118 118 PRO CA C 61.019 0.000 . 1185 118 118 PRO CB C 32.806 0.000 . 1186 119 119 VAL H H 8.775 0.003 . 1187 119 119 VAL HA H 4.507 0.011 . 1188 119 119 VAL HB H 1.976 0.010 . 1189 119 119 VAL HG1 H 0.436 0.012 . 1190 119 119 VAL HG2 H 0.601 0.009 . 1191 119 119 VAL C C 174.881 0.000 . 1192 119 119 VAL CA C 59.150 0.000 . 1193 119 119 VAL CB C 36.847 0.000 . 1194 119 119 VAL CG1 C 18.034 0.000 . 1195 119 119 VAL CG2 C 23.357 0.000 . 1196 119 119 VAL N N 114.345 0.047 . 1197 120 120 ALA H H 8.740 0.006 . 1198 120 120 ALA HA H 4.335 0.002 . 1199 120 120 ALA HB H 1.268 0.017 . 1200 120 120 ALA C C 177.637 0.000 . 1201 120 120 ALA CA C 52.662 0.000 . 1202 120 120 ALA CB C 19.817 0.000 . 1203 120 120 ALA N N 121.458 0.042 . 1204 121 121 SER H H 7.147 0.006 . 1205 121 121 SER HA H 4.523 0.006 . 1206 121 121 SER HB2 H 3.892 0.009 . 1207 121 121 SER HB3 H 4.083 0.004 . 1208 121 121 SER C C 173.940 0.000 . 1209 121 121 SER CA C 56.668 0.000 . 1210 121 121 SER CB C 66.057 0.000 . 1211 121 121 SER N N 106.201 0.039 . 1212 122 122 GLN H H 9.055 0.004 . 1213 122 122 GLN HA H 4.063 0.010 . 1214 122 122 GLN HB2 H 1.901 0.000 . 1215 122 122 GLN HB3 H 1.990 0.000 . 1216 122 122 GLN C C 178.350 0.000 . 1217 122 122 GLN CA C 59.436 0.000 . 1218 122 122 GLN CB C 29.018 0.000 . 1219 122 122 GLN CG C 35.382 0.000 . 1220 122 122 GLN N N 120.942 0.029 . 1221 123 123 MET H H 7.950 0.005 . 1222 123 123 MET HA H 3.947 0.013 . 1223 123 123 MET HB2 H 1.881 0.001 . 1224 123 123 MET HB3 H 1.881 0.001 . 1225 123 123 MET HG2 H 2.356 0.004 . 1226 123 123 MET HG3 H 2.356 0.004 . 1227 123 123 MET C C 179.161 0.000 . 1228 123 123 MET CA C 58.802 0.000 . 1229 123 123 MET CB C 31.305 0.000 . 1230 123 123 MET CG C 32.218 0.000 . 1231 123 123 MET N N 118.978 0.036 . 1232 124 124 GLU H H 7.729 0.006 . 1233 124 124 GLU HA H 3.897 0.009 . 1234 124 124 GLU HB2 H 1.535 0.006 . 1235 124 124 GLU HB3 H 1.932 0.007 . 1236 124 124 GLU HG2 H 1.227 0.003 . 1237 124 124 GLU HG3 H 1.470 0.021 . 1238 124 124 GLU C C 179.272 0.000 . 1239 124 124 GLU CA C 59.686 0.000 . 1240 124 124 GLU CB C 29.943 0.000 . 1241 124 124 GLU CG C 33.793 0.000 . 1242 124 124 GLU N N 121.747 0.054 . 1243 125 125 ALA H H 8.083 0.004 . 1244 125 125 ALA HA H 3.827 0.013 . 1245 125 125 ALA HB H 1.421 0.006 . 1246 125 125 ALA C C 178.068 0.000 . 1247 125 125 ALA CA C 54.330 0.000 . 1248 125 125 ALA CB C 19.232 0.000 . 1249 125 125 ALA N N 121.208 0.080 . 1250 126 126 SER H H 7.975 0.005 . 1251 126 126 SER HA H 3.527 0.014 . 1252 126 126 SER HB2 H 3.807 0.003 . 1253 126 126 SER HB3 H 3.807 0.003 . 1254 126 126 SER C C 175.129 0.000 . 1255 126 126 SER CA C 62.161 0.000 . 1256 126 126 SER CB C 69.705 0.000 . 1257 126 126 SER N N 114.095 0.017 . 1258 127 127 CYS H H 6.869 0.003 . 1259 127 127 CYS HA H 3.819 0.009 . 1260 127 127 CYS HB2 H 2.750 0.002 . 1261 127 127 CYS HB3 H 2.849 0.016 . 1262 127 127 CYS C C 177.016 0.000 . 1263 127 127 CYS CA C 62.351 0.000 . 1264 127 127 CYS CB C 26.714 0.000 . 1265 127 127 CYS N N 119.210 0.023 . 1266 128 128 LEU H H 7.527 0.005 . 1267 128 128 LEU HA H 3.947 0.015 . 1268 128 128 LEU HB2 H 1.445 0.016 . 1269 128 128 LEU HB3 H 1.608 0.013 . 1270 128 128 LEU HG H 1.273 0.007 . 1271 128 128 LEU HD1 H 0.581 0.009 . 1272 128 128 LEU HD2 H 0.689 0.006 . 1273 128 128 LEU C C 178.010 0.000 . 1274 128 128 LEU CA C 57.860 0.000 . 1275 128 128 LEU CB C 41.951 0.002 . 1276 128 128 LEU CD1 C 23.295 0.000 . 1277 128 128 LEU CD2 C 26.183 0.023 . 1278 128 128 LEU N N 122.342 0.014 . 1279 129 129 VAL H H 8.360 0.005 . 1280 129 129 VAL HA H 3.035 0.007 . 1281 129 129 VAL HB H 1.668 0.007 . 1282 129 129 VAL HG1 H 0.153 0.010 . 1283 129 129 VAL HG2 H 0.153 0.010 . 1284 129 129 VAL C C 177.035 0.000 . 1285 129 129 VAL CA C 67.656 0.000 . 1286 129 129 VAL CB C 30.898 0.000 . 1287 129 129 VAL CG1 C 21.957 0.000 . 1288 129 129 VAL CG2 C 21.957 0.000 . 1289 129 129 VAL N N 119.021 0.039 . 1290 130 130 ILE H H 7.331 0.004 . 1291 130 130 ILE HA H 3.292 0.007 . 1292 130 130 ILE HB H 1.713 0.012 . 1293 130 130 ILE HG12 H 0.952 0.010 . 1294 130 130 ILE HG13 H 1.399 0.009 . 1295 130 130 ILE HG2 H 0.639 0.009 . 1296 130 130 ILE HD1 H 0.557 0.011 . 1297 130 130 ILE C C 177.834 0.000 . 1298 130 130 ILE CA C 64.592 0.000 . 1299 130 130 ILE CB C 36.970 0.032 . 1300 130 130 ILE CG1 C 29.126 0.118 . 1301 130 130 ILE CG2 C 17.433 0.000 . 1302 130 130 ILE N N 117.913 0.020 . 1303 131 131 GLN H H 7.505 0.003 . 1304 131 131 GLN HA H 3.846 0.004 . 1305 131 131 GLN HB2 H 2.040 0.002 . 1306 131 131 GLN HB3 H 2.040 0.002 . 1307 131 131 GLN HG2 H 2.250 0.004 . 1308 131 131 GLN HG3 H 2.511 0.000 . 1309 131 131 GLN C C 178.708 0.000 . 1310 131 131 GLN CA C 59.310 0.000 . 1311 131 131 GLN CB C 28.102 0.000 . 1312 131 131 GLN CG C 33.588 0.000 . 1313 131 131 GLN N N 120.359 0.035 . 1314 132 132 LEU H H 8.270 0.003 . 1315 132 132 LEU HA H 3.848 0.011 . 1316 132 132 LEU HB2 H 1.001 0.012 . 1317 132 132 LEU HB3 H 1.797 0.007 . 1318 132 132 LEU HD1 H 0.569 0.001 . 1319 132 132 LEU HD2 H 0.464 0.009 . 1320 132 132 LEU C C 179.854 0.000 . 1321 132 132 LEU CA C 57.975 0.000 . 1322 132 132 LEU CB C 41.902 0.041 . 1323 132 132 LEU CD1 C 21.961 0.000 . 1324 132 132 LEU CD2 C 26.081 0.000 . 1325 132 132 LEU N N 120.310 0.028 . 1326 133 133 VAL H H 8.162 0.003 . 1327 133 133 VAL HA H 4.004 0.009 . 1328 133 133 VAL HB H 1.696 0.020 . 1329 133 133 VAL C C 178.791 0.000 . 1330 133 133 VAL CA C 58.026 0.000 . 1331 133 133 VAL CB C 32.475 0.000 . 1332 133 133 VAL N N 120.909 0.050 . 1333 134 134 GLN H H 7.837 0.005 . 1334 134 134 GLN HA H 3.943 0.014 . 1335 134 134 GLN HB2 H 1.759 0.008 . 1336 134 134 GLN HB3 H 1.759 0.008 . 1337 134 134 GLN HG2 H 2.008 0.005 . 1338 134 134 GLN HG3 H 2.008 0.005 . 1339 134 134 GLN C C 178.374 0.000 . 1340 134 134 GLN CA C 57.164 0.000 . 1341 134 134 GLN CB C 29.632 0.000 . 1342 134 134 GLN CG C 36.122 0.000 . 1343 134 134 GLN N N 120.073 0.101 . 1344 135 135 GLU H H 7.989 0.003 . 1345 135 135 GLU HA H 3.902 0.009 . 1346 135 135 GLU HB2 H 1.937 0.000 . 1347 135 135 GLU HB3 H 1.937 0.000 . 1348 135 135 GLU HG2 H 2.208 0.008 . 1349 135 135 GLU HG3 H 2.208 0.008 . 1350 135 135 GLU C C 177.986 0.000 . 1351 135 135 GLU CA C 58.266 0.000 . 1352 135 135 GLU CB C 29.593 0.000 . 1353 135 135 GLU N N 118.639 0.039 . 1354 136 136 GLN H H 7.845 0.002 . 1355 136 136 GLN HA H 3.994 0.005 . 1356 136 136 GLN HB2 H 2.039 0.012 . 1357 136 136 GLN HB3 H 2.039 0.012 . 1358 136 136 GLN HG2 H 2.359 0.008 . 1359 136 136 GLN HG3 H 2.359 0.008 . 1360 136 136 GLN C C 176.807 0.000 . 1361 136 136 GLN CA C 56.762 0.000 . 1362 136 136 GLN CB C 28.835 0.000 . 1363 136 136 GLN N N 118.352 0.062 . 1364 137 137 THR H H 7.847 0.004 . 1365 137 137 THR HA H 4.163 0.005 . 1366 137 137 THR HB H 3.973 0.009 . 1367 137 137 THR HG2 H 1.092 0.001 . 1368 137 137 THR C C 174.267 0.000 . 1369 137 137 THR CA C 64.611 0.000 . 1370 137 137 THR CB C 69.280 0.000 . 1371 137 137 THR CG2 C 21.620 0.000 . 1372 137 137 THR N N 113.953 0.033 . 1373 138 138 LYS H H 7.607 0.002 . 1374 138 138 LYS C C 176.119 0.000 . 1375 138 138 LYS CA C 56.329 0.000 . 1376 138 138 LYS CB C 32.891 0.000 . 1377 138 138 LYS N N 122.289 0.029 . 1378 139 139 GLU C C 174.589 0.000 . 1379 139 139 GLU CA C 54.646 0.000 . 1380 139 139 GLU CB C 29.576 0.000 . stop_ save_