data_18672 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; S4WYILD ; _BMRB_accession_number 18672 _BMRB_flat_file_name bmr18672.str _Entry_type original _Submission_date 2012-08-20 _Accession_date 2012-08-20 _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 Kristiansen 'Per Eugen' . . 2 Rahman Mohummad A. . 3 Aalen Reidunn B. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 578 "13C chemical shifts" 418 "15N chemical shifts" 105 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2013-11-18 original author . stop_ _Original_release_date 2013-11-18 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'S4WYILD structure' _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Rahman Mohummad A. . 2 Kristiansen 'Per Eugen' . . 3 Aalen 'Reidunn B.' B . stop_ _Journal_abbreviation 'Not known' _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name S4WYILD _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label S4WYILD $S4WYILD 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_S4WYILD _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity _Molecular_mass 12164.699 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 109 _Mol_residue_sequence ; MGSSHHHHHHSSGLVPRGSH MISLSGLTSSVESDLDMQQA MLTNKDEKVLKALERTRQLD IPDEKTMPVLMKLLEEAGGN WSYIKLDNYTALVDAIYSVE DENKQSEGS ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 MET 2 2 GLY 3 3 SER 4 4 SER 5 5 HIS 6 6 HIS 7 7 HIS 8 8 HIS 9 9 HIS 10 10 HIS 11 11 SER 12 12 SER 13 13 GLY 14 14 LEU 15 15 VAL 16 16 PRO 17 17 ARG 18 18 GLY 19 19 SER 20 20 HIS 21 21 MET 22 22 ILE 23 23 SER 24 24 LEU 25 25 SER 26 26 GLY 27 27 LEU 28 28 THR 29 29 SER 30 30 SER 31 31 VAL 32 32 GLU 33 33 SER 34 34 ASP 35 35 LEU 36 36 ASP 37 37 MET 38 38 GLN 39 39 GLN 40 40 ALA 41 41 MET 42 42 LEU 43 43 THR 44 44 ASN 45 45 LYS 46 46 ASP 47 47 GLU 48 48 LYS 49 49 VAL 50 50 LEU 51 51 LYS 52 52 ALA 53 53 LEU 54 54 GLU 55 55 ARG 56 56 THR 57 57 ARG 58 58 GLN 59 59 LEU 60 60 ASP 61 61 ILE 62 62 PRO 63 63 ASP 64 64 GLU 65 65 LYS 66 66 THR 67 67 MET 68 68 PRO 69 69 VAL 70 70 LEU 71 71 MET 72 72 LYS 73 73 LEU 74 74 LEU 75 75 GLU 76 76 GLU 77 77 ALA 78 78 GLY 79 79 GLY 80 80 ASN 81 81 TRP 82 82 SER 83 83 TYR 84 84 ILE 85 85 LYS 86 86 LEU 87 87 ASP 88 88 ASN 89 89 TYR 90 90 THR 91 91 ALA 92 92 LEU 93 93 VAL 94 94 ASP 95 95 ALA 96 96 ILE 97 97 TYR 98 98 SER 99 99 VAL 100 100 GLU 101 101 ASP 102 102 GLU 103 103 ASN 104 104 LYS 105 105 GLN 106 106 SER 107 107 GLU 108 108 GLY 109 109 SER stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-29 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 2LXE S4wyild 100.00 109 100.00 100.00 3.89e-72 GB AAF63769 "hypothetical protein [Arabidopsis thaliana]" 66.97 424 100.00 100.00 8.50e-41 GB AAL01113 "Su(VAR)3-9-related protein 4 [Arabidopsis thaliana]" 81.65 488 100.00 100.00 4.11e-51 GB AEE74073 "histone-lysine N-methyltransferase SUVR4 [Arabidopsis thaliana]" 81.65 492 100.00 100.00 1.05e-50 GB AEE74074 "histone-lysine N-methyltransferase SUVR4 [Arabidopsis thaliana]" 81.65 465 100.00 100.00 3.68e-51 REF NP_187088 "histone-lysine N-methyltransferase SUVR4 [Arabidopsis thaliana]" 81.65 492 100.00 100.00 1.05e-50 REF NP_974217 "histone-lysine N-methyltransferase SUVR4 [Arabidopsis thaliana]" 81.65 465 100.00 100.00 3.68e-51 SP Q8W595 "RecName: Full=Histone-lysine N-methyltransferase SUVR4; AltName: Full=Protein SET DOMAIN GROUP 31; AltName: Full=Suppressor of " 81.65 492 100.00 100.00 1.05e-50 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $S4WYILD 'Thale cress' 3702 Eukaryota Viridiplantae Arabidopsis thaliana 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 $S4WYILD 'recombinant technology' . Escherichia coli . pET28b 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 H2O 95 % 'natural abundance' D2O 5 % '[U-100% 2H]' 'potassium phosphate' 20 mM 'natural abundance' DSS 0.2 mM 'natural abundance' DTT 1.0 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' $S4WYILD 0.8 mM '[U-98% 15N]' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling H2O 95 % 'natural abundance' D2O 5 % '[U-100% 2H]' 'potassium phosphate' 20 mM 'natural abundance' DSS 0.2 mM 'natural abundance' DTT 1.0 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' $S4WYILD 0.8 mM '[U-98% 13C; U-98% 15N]' stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Saveframe_category software _Name CYANA _Version 2.0 loop_ _Vendor _Address _Electronic_address 'Herrmann, Guntert and Wuthrich' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'data analysis' 'peak picking' 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_CARA _Saveframe_category software _Name CARA _Version . loop_ _Vendor _Address _Electronic_address 'Keller and Wuthrich' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _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_2D_1H-15N_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_5 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_6 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_7 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_2 save_ save_3D_C(CO)NH_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_2 save_ save_3D_HNCO_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_2 save_ save_3D_HNCA_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_2 save_ save_3D_HNCACB_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_2 save_ save_3D_HN(CO)CA_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_2 save_ save_3D_HBHA(CO)NH_15 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_2 save_ save_3D_HN(CA)CO_16 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $sample_2 save_ save_3D_H(CCO)NH_17 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_2 save_ save_2D_1H-13C_HSQC_18 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_2 save_ save_3D_HCCH-TOCSY_19 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_2 save_ save_3D_HCCH-COSY_20 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-COSY' _Sample_label $sample_2 save_ save_3D_1H-13C_NOESY_aliphatic_21 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_2 save_ save_3D_1H-13C_NOESY_aromatic_22 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _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' 70 . mM pH 6.5 . pH pressure 1 . atm temperature 298 . K stop_ save_ save_sample_conditions_4 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 70 . mM pH 6.5 . pH pressure 1 . atm temperature 308 . K stop_ save_ save_sample_conditions_3 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 70 . mM pH 6.5 . pH pressure 1 . atm temperature 303 . K stop_ save_ save_sample_conditions_2 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 70 . mM pH 6.5 . pH pressure 1 . atm temperature 313 . K stop_ save_ save_sample_conditions_5 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 70 . mM pH 6.5 . pH pressure 1 . atm temperature 393 . K stop_ save_ save_sample_conditions_6 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 70 . mM pH 6.5 . pH pressure 1 . atm temperature 388 . K stop_ save_ save_sample_conditions_7 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 70 . mM pH 6.5 . pH pressure 1 . atm temperature 383 . 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 internal indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1 DSS N 15 'methyl protons' ppm 0 internal 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 C(CO)NH' '3D HNCO' '3D HNCACB' '3D HN(CO)CA' '3D HBHA(CO)NH' '3D H(CCO)NH' '2D 1H-13C HSQC' '3D HCCH-TOCSY' 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 S4WYILD _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 3 3 SER HA H 4.457 0.02 1 2 3 3 SER HB2 H 3.878 0.02 1 3 3 3 SER HB3 H 3.814 0.02 1 4 3 3 SER CA C 58.243 0.20 1 5 3 3 SER CB C 63.624 0.20 1 6 4 4 SER H H 8.499 0.02 1 7 4 4 SER CA C 58.537 0.20 1 8 4 4 SER N N 118.058 0.30 1 9 12 12 SER HA H 4.386 0.02 1 10 12 12 SER HB2 H 4.110 0.02 1 11 12 12 SER HB3 H 4.110 0.02 1 12 12 12 SER CA C 73.191 0.20 1 13 12 12 SER CB C 75.669 0.20 1 14 13 13 GLY H H 8.585 0.02 1 15 13 13 GLY HA2 H 4.033 0.02 1 16 13 13 GLY HA3 H 4.033 0.02 1 17 13 13 GLY C C 174.439 0.20 1 18 13 13 GLY CA C 45.043 0.20 1 19 13 13 GLY N N 110.599 0.30 1 20 14 14 LEU HA H 4.348 0.02 1 21 14 14 LEU HB2 H 1.577 0.02 1 22 14 14 LEU HB3 H 1.500 0.02 1 23 14 14 LEU HG H 0.896 0.02 1 24 14 14 LEU HD1 H 0.824 0.02 1 25 14 14 LEU HD2 H 0.824 0.02 1 26 14 14 LEU CA C 55.021 0.20 1 27 14 14 LEU CB C 42.357 0.20 1 28 14 14 LEU CG C 26.483 0.20 1 29 14 14 LEU CD1 C 24.629 0.20 1 30 15 15 VAL H H 8.097 0.02 1 31 15 15 VAL HA H 4.383 0.02 1 32 15 15 VAL HB H 2.027 0.02 1 33 15 15 VAL HG1 H 0.904 0.02 1 34 15 15 VAL HG2 H 0.904 0.02 1 35 15 15 VAL CA C 59.426 0.20 1 36 15 15 VAL CB C 32.377 0.20 1 37 15 15 VAL N N 122.046 0.30 1 38 16 16 PRO HA H 4.386 0.02 1 39 16 16 PRO HB2 H 2.233 0.02 1 40 16 16 PRO HB3 H 1.873 0.02 1 41 16 16 PRO HG2 H 1.990 0.02 1 42 16 16 PRO HG3 H 1.990 0.02 1 43 16 16 PRO HD2 H 3.819 0.02 1 44 16 16 PRO HD3 H 3.594 0.02 1 45 16 16 PRO CA C 62.966 0.20 1 46 16 16 PRO CB C 31.964 0.20 1 47 16 16 PRO CG C 26.758 0.20 1 48 16 16 PRO CD C 50.526 0.20 1 49 17 17 ARG H H 8.477 0.02 1 50 17 17 ARG HA H 4.296 0.02 1 51 17 17 ARG HB2 H 1.843 0.02 1 52 17 17 ARG HB3 H 1.764 0.02 1 53 17 17 ARG HG3 H 1.637 0.02 1 54 17 17 ARG HD3 H 3.164 0.02 1 55 17 17 ARG C C 176.879 0.20 1 56 17 17 ARG CA C 56.249 0.20 1 57 17 17 ARG CB C 30.725 0.20 1 58 17 17 ARG CG C 26.758 0.20 1 59 17 17 ARG CD C 43.038 0.20 1 60 17 17 ARG N N 121.931 0.30 1 61 18 18 GLY H H 8.495 0.02 1 62 18 18 GLY HA2 H 3.968 0.02 1 63 18 18 GLY HA3 H 3.968 0.02 1 64 18 18 GLY C C 174.188 0.20 1 65 18 18 GLY CA C 45.200 0.20 1 66 18 18 GLY N N 110.391 0.30 1 67 19 19 SER H H 8.250 0.02 1 68 19 19 SER HA H 4.351 0.02 1 69 19 19 SER HB2 H 3.859 0.02 1 70 19 19 SER HB3 H 3.859 0.02 1 71 19 19 SER C C 174.175 0.20 1 72 19 19 SER CA C 58.462 0.20 1 73 19 19 SER CB C 63.693 0.20 1 74 19 19 SER N N 115.617 0.30 1 75 20 20 HIS H H 8.463 0.02 1 76 20 20 HIS HB2 H 2.021 0.02 1 77 20 20 HIS HB3 H 2.021 0.02 1 78 20 20 HIS N N 120.586 0.30 1 79 21 21 MET H H 8.268 0.02 1 80 21 21 MET HA H 4.438 0.02 1 81 21 21 MET HB2 H 2.001 0.02 1 82 21 21 MET HB3 H 1.918 0.02 1 83 21 21 MET HG2 H 2.388 0.02 1 84 21 21 MET HG3 H 2.446 0.02 1 85 21 21 MET HE H 1.932 0.02 1 86 21 21 MET C C 175.883 0.20 1 87 21 21 MET CA C 55.455 0.20 1 88 21 21 MET CB C 32.584 0.20 1 89 21 21 MET CG C 31.704 0.20 1 90 21 21 MET CE C 14.968 0.20 1 91 21 21 MET N N 120.962 0.30 1 92 22 22 ILE H H 8.164 0.02 1 93 22 22 ILE HA H 4.181 0.02 1 94 22 22 ILE HB H 1.828 0.02 1 95 22 22 ILE HG12 H 1.124 0.02 1 96 22 22 ILE HG13 H 1.413 0.02 1 97 22 22 ILE HG2 H 0.889 0.02 1 98 22 22 ILE HD1 H 0.848 0.02 1 99 22 22 ILE C C 175.899 0.20 1 100 22 22 ILE CA C 61.060 0.20 1 101 22 22 ILE CB C 38.641 0.20 1 102 22 22 ILE CG1 C 27.170 0.20 1 103 22 22 ILE CG2 C 17.279 0.20 1 104 22 22 ILE CD1 C 12.883 0.20 1 105 22 22 ILE N N 121.788 0.30 1 106 23 23 SER H H 8.339 0.02 1 107 23 23 SER HA H 4.483 0.02 1 108 23 23 SER HB2 H 3.846 0.02 1 109 23 23 SER HB3 H 3.846 0.02 1 110 23 23 SER C C 174.630 0.20 1 111 23 23 SER CA C 57.864 0.20 1 112 23 23 SER CB C 63.762 0.20 1 113 23 23 SER N N 119.288 0.30 1 114 24 24 LEU H H 8.418 0.02 1 115 24 24 LEU HA H 4.373 0.02 1 116 24 24 LEU HB2 H 1.627 0.02 1 117 24 24 LEU HB3 H 1.627 0.02 1 118 24 24 LEU HG H 1.614 0.02 1 119 24 24 LEU HD1 H 0.851 0.02 1 120 24 24 LEU HD2 H 0.853 0.02 1 121 24 24 LEU C C 177.578 0.20 1 122 24 24 LEU CA C 55.339 0.20 1 123 24 24 LEU CB C 42.082 0.20 1 124 24 24 LEU CG C 26.685 0.20 1 125 24 24 LEU CD1 C 24.975 0.20 1 126 24 24 LEU CD2 C 23.151 0.20 1 127 24 24 LEU N N 124.871 0.30 1 128 25 25 SER H H 8.247 0.02 1 129 25 25 SER HA H 4.386 0.02 1 130 25 25 SER HB2 H 3.866 0.02 1 131 25 25 SER HB3 H 3.866 0.02 1 132 25 25 SER C C 175.014 0.20 1 133 25 25 SER CA C 58.738 0.20 1 134 25 25 SER CB C 63.646 0.20 1 135 25 25 SER N N 115.538 0.30 1 136 26 26 GLY H H 8.354 0.02 1 137 26 26 GLY HA2 H 3.956 0.02 1 138 26 26 GLY HA3 H 3.956 0.02 1 139 26 26 GLY C C 174.144 0.20 1 140 26 26 GLY CA C 45.259 0.20 1 141 26 26 GLY N N 110.574 0.30 1 142 27 27 LEU H H 8.028 0.02 1 143 27 27 LEU HA H 4.412 0.02 1 144 27 27 LEU HB2 H 1.654 0.02 1 145 27 27 LEU HB3 H 1.603 0.02 1 146 27 27 LEU HG H 1.587 0.02 1 147 27 27 LEU HD1 H 0.908 0.02 1 148 27 27 LEU HD2 H 0.858 0.02 1 149 27 27 LEU C C 177.637 0.20 1 150 27 27 LEU CA C 55.163 0.20 1 151 27 27 LEU CB C 42.288 0.20 1 152 27 27 LEU CG C 26.596 0.20 1 153 27 27 LEU CD1 C 24.806 0.20 1 154 27 27 LEU CD2 C 23.086 0.20 1 155 27 27 LEU N N 121.169 0.30 1 156 28 28 THR H H 8.156 0.02 1 157 28 28 THR HA H 4.400 0.02 1 158 28 28 THR HB H 4.251 0.02 1 159 28 28 THR HG2 H 1.182 0.02 1 160 28 28 THR C C 174.424 0.20 1 161 28 28 THR CA C 61.422 0.20 1 162 28 28 THR CB C 69.681 0.20 1 163 28 28 THR CG2 C 21.263 0.20 1 164 28 28 THR N N 114.154 0.30 1 165 29 29 SER H H 8.289 0.02 1 166 29 29 SER HA H 4.502 0.02 1 167 29 29 SER HB2 H 3.898 0.02 1 168 29 29 SER HB3 H 3.833 0.02 1 169 29 29 SER C C 174.408 0.20 1 170 29 29 SER CA C 58.097 0.20 1 171 29 29 SER CB C 63.693 0.20 1 172 29 29 SER N N 117.717 0.30 1 173 30 30 SER H H 8.396 0.02 1 174 30 30 SER HA H 4.513 0.02 1 175 30 30 SER HB2 H 3.870 0.02 1 176 30 30 SER HB3 H 3.870 0.02 1 177 30 30 SER C C 174.457 0.20 1 178 30 30 SER CA C 58.238 0.20 1 179 30 30 SER CB C 63.809 0.20 1 180 30 30 SER N N 117.982 0.30 1 181 31 31 VAL H H 8.151 0.02 1 182 31 31 VAL HA H 4.142 0.02 1 183 31 31 VAL HB H 2.085 0.02 1 184 31 31 VAL HG1 H 0.900 0.02 1 185 31 31 VAL HG2 H 0.896 0.02 1 186 31 31 VAL C C 176.311 0.20 1 187 31 31 VAL CA C 62.380 0.20 1 188 31 31 VAL CB C 32.377 0.20 1 189 31 31 VAL CG1 C 21.021 0.20 1 190 31 31 VAL CG2 C 20.233 0.20 1 191 31 31 VAL N N 121.063 0.30 1 192 32 32 GLU H H 8.474 0.02 1 193 32 32 GLU HA H 4.271 0.02 1 194 32 32 GLU HB2 H 2.060 0.02 1 195 32 32 GLU HB3 H 1.944 0.02 1 196 32 32 GLU HG2 H 2.245 0.02 1 197 32 32 GLU HG3 H 2.262 0.02 1 198 32 32 GLU C C 176.561 0.20 1 199 32 32 GLU CA C 56.924 0.20 1 200 32 32 GLU CB C 29.899 0.20 1 201 32 32 GLU CG C 36.025 0.20 1 202 32 32 GLU N N 123.769 0.30 1 203 33 33 SER H H 8.279 0.02 1 204 33 33 SER HA H 4.438 0.02 1 205 33 33 SER HB2 H 3.911 0.02 1 206 33 33 SER HB3 H 3.827 0.02 1 207 33 33 SER C C 174.424 0.20 1 208 33 33 SER CA C 58.394 0.20 1 209 33 33 SER CB C 63.924 0.20 1 210 33 33 SER N N 116.215 0.30 1 211 34 34 ASP H H 8.372 0.02 1 212 34 34 ASP HA H 4.576 0.02 1 213 34 34 ASP HB2 H 2.657 0.02 1 214 34 34 ASP HB3 H 2.728 0.02 1 215 34 34 ASP C C 176.606 0.20 1 216 34 34 ASP CA C 54.782 0.20 1 217 34 34 ASP CB C 40.705 0.20 1 218 34 34 ASP N N 122.645 0.30 1 219 35 35 LEU H H 8.095 0.02 1 220 35 35 LEU HA H 4.200 0.02 1 221 35 35 LEU HB2 H 1.641 0.02 1 222 35 35 LEU HB3 H 1.551 0.02 1 223 35 35 LEU HG H 1.609 0.02 1 224 35 35 LEU HD1 H 0.833 0.02 1 225 35 35 LEU HD2 H 0.900 0.02 1 226 35 35 LEU C C 177.800 0.20 1 227 35 35 LEU CA C 56.073 0.20 1 228 35 35 LEU CB C 42.013 0.20 1 229 35 35 LEU CG C 26.665 0.20 1 230 35 35 LEU CD1 C 24.669 0.20 1 231 35 35 LEU CD2 C 23.154 0.20 1 232 35 35 LEU N N 121.885 0.30 1 233 36 36 ASP H H 8.227 0.02 1 234 36 36 ASP HA H 4.521 0.02 1 235 36 36 ASP HB2 H 2.705 0.02 1 236 36 36 ASP HB3 H 2.705 0.02 1 237 36 36 ASP C C 177.298 0.20 1 238 36 36 ASP CA C 55.105 0.20 1 239 36 36 ASP CB C 40.636 0.20 1 240 36 36 ASP N N 120.310 0.30 1 241 37 37 MET H H 8.227 0.02 1 242 37 37 MET HA H 4.373 0.02 1 243 37 37 MET HB2 H 2.091 0.02 1 244 37 37 MET HB3 H 2.091 0.02 1 245 37 37 MET HG2 H 2.516 0.02 1 246 37 37 MET HG3 H 2.625 0.02 1 247 37 37 MET HE H 2.006 0.02 1 248 37 37 MET C C 176.952 0.20 1 249 37 37 MET CA C 56.571 0.20 1 250 37 37 MET CB C 32.171 0.20 1 251 37 37 MET CG C 31.815 0.20 1 252 37 37 MET CE C 16.527 0.20 1 253 37 37 MET N N 120.625 0.30 1 254 38 38 GLN H H 8.282 0.02 1 255 38 38 GLN HA H 4.174 0.02 1 256 38 38 GLN HB2 H 2.098 0.02 1 257 38 38 GLN HB3 H 2.143 0.02 1 258 38 38 GLN HG2 H 2.336 0.02 1 259 38 38 GLN HG3 H 2.394 0.02 1 260 38 38 GLN HE21 H 6.867 0.02 1 261 38 38 GLN HE22 H 7.553 0.02 1 262 38 38 GLN C C 177.254 0.20 1 263 38 38 GLN CA C 57.451 0.20 1 264 38 38 GLN CB C 28.592 0.20 1 265 38 38 GLN CG C 33.754 0.20 1 266 38 38 GLN N N 119.730 0.30 1 267 38 38 GLN NE2 N 111.777 0.30 1 268 39 39 GLN H H 8.234 0.02 1 269 39 39 GLN HA H 4.174 0.02 1 270 39 39 GLN HB2 H 2.053 0.02 1 271 39 39 GLN HB3 H 2.130 0.02 1 272 39 39 GLN HG2 H 2.386 0.02 1 273 39 39 GLN HG3 H 2.386 0.02 1 274 39 39 GLN HE21 H 6.833 0.02 1 275 39 39 GLN HE22 H 7.529 0.02 1 276 39 39 GLN C C 176.945 0.20 1 277 39 39 GLN CA C 56.923 0.20 1 278 39 39 GLN CB C 28.613 0.20 1 279 39 39 GLN CG C 33.627 0.20 1 280 39 39 GLN N N 119.327 0.30 1 281 39 39 GLN NE2 N 112.534 0.30 1 282 40 40 ALA H H 8.154 0.02 1 283 40 40 ALA HA H 4.219 0.02 1 284 40 40 ALA HB H 1.416 0.02 1 285 40 40 ALA C C 178.374 0.20 1 286 40 40 ALA CA C 53.457 0.20 1 287 40 40 ALA CB C 18.584 0.20 1 288 40 40 ALA N N 123.319 0.30 1 289 41 41 MET H H 8.049 0.02 1 290 41 41 MET HA H 4.373 0.02 1 291 41 41 MET HB2 H 2.085 0.02 1 292 41 41 MET HB3 H 2.085 0.02 1 293 41 41 MET HG2 H 2.651 0.02 1 294 41 41 MET HG3 H 2.548 0.02 1 295 41 41 MET HE H 1.983 0.02 1 296 41 41 MET C C 176.679 0.20 1 297 41 41 MET CA C 56.365 0.20 1 298 41 41 MET CB C 32.322 0.20 1 299 41 41 MET CG C 31.827 0.20 1 300 41 41 MET CE C 16.527 0.20 1 301 41 41 MET N N 117.433 0.30 1 302 42 42 LEU H H 7.980 0.02 1 303 42 42 LEU HA H 4.373 0.02 1 304 42 42 LEU HB2 H 1.757 0.02 1 305 42 42 LEU HB3 H 1.603 0.02 1 306 42 42 LEU HG H 1.706 0.02 1 307 42 42 LEU HD1 H 0.898 0.02 1 308 42 42 LEU HD2 H 0.877 0.02 1 309 42 42 LEU C C 177.623 0.20 1 310 42 42 LEU CA C 55.574 0.20 1 311 42 42 LEU CB C 42.288 0.20 1 312 42 42 LEU CG C 26.665 0.20 1 313 42 42 LEU CD1 C 24.944 0.20 1 314 42 42 LEU CD2 C 23.361 0.20 1 315 42 42 LEU N N 121.053 0.30 1 316 43 43 THR H H 7.943 0.02 1 317 43 43 THR HA H 4.361 0.02 1 318 43 43 THR HB H 4.271 0.02 1 319 43 43 THR HG2 H 1.198 0.02 1 320 43 43 THR C C 174.468 0.20 1 321 43 43 THR CA C 61.969 0.20 1 322 43 43 THR CB C 69.888 0.20 1 323 43 43 THR CG2 C 21.296 0.20 1 324 43 43 THR N N 112.514 0.30 1 325 44 44 ASN H H 8.270 0.02 1 326 44 44 ASN HA H 4.534 0.02 1 327 44 44 ASN HB2 H 2.844 0.02 1 328 44 44 ASN HB3 H 2.786 0.02 1 329 44 44 ASN HD21 H 6.866 0.02 1 330 44 44 ASN HD22 H 7.558 0.02 1 331 44 44 ASN C C 174.984 0.20 1 332 44 44 ASN CA C 53.438 0.20 1 333 44 44 ASN CB C 38.227 0.20 1 334 44 44 ASN N N 119.187 0.30 1 335 44 44 ASN ND2 N 111.768 0.30 1 336 45 45 LYS H H 8.062 0.02 1 337 45 45 LYS HA H 4.200 0.02 1 338 45 45 LYS HB2 H 1.847 0.02 1 339 45 45 LYS HB3 H 1.738 0.02 1 340 45 45 LYS HG2 H 1.364 0.02 1 341 45 45 LYS HG3 H 1.449 0.02 1 342 45 45 LYS HD2 H 1.641 0.02 1 343 45 45 LYS HD3 H 1.690 0.02 1 344 45 45 LYS HE2 H 2.961 0.02 1 345 45 45 LYS HE3 H 2.961 0.02 1 346 45 45 LYS C C 176.016 0.20 1 347 45 45 LYS CA C 56.161 0.20 1 348 45 45 LYS CB C 32.308 0.20 1 349 45 45 LYS CG C 24.462 0.20 1 350 45 45 LYS CD C 28.729 0.20 1 351 45 45 LYS CE C 41.669 0.20 1 352 45 45 LYS N N 119.278 0.30 1 353 46 46 ASP H H 7.914 0.02 1 354 46 46 ASP HA H 4.470 0.02 1 355 46 46 ASP HB2 H 2.734 0.02 1 356 46 46 ASP HB3 H 2.734 0.02 1 357 46 46 ASP C C 176.959 0.20 1 358 46 46 ASP CA C 54.547 0.20 1 359 46 46 ASP CB C 42.082 0.20 1 360 46 46 ASP N N 121.063 0.30 1 361 47 47 GLU H H 8.735 0.02 1 362 47 47 GLU HA H 3.917 0.02 1 363 47 47 GLU HB2 H 1.995 0.02 1 364 47 47 GLU HB3 H 1.995 0.02 1 365 47 47 GLU HG2 H 2.217 0.02 1 366 47 47 GLU HG3 H 2.273 0.02 1 367 47 47 GLU C C 177.814 0.20 1 368 47 47 GLU CA C 59.358 0.20 1 369 47 47 GLU CB C 29.349 0.20 1 370 47 47 GLU CG C 35.681 0.20 1 371 47 47 GLU N N 124.733 0.30 1 372 48 48 LYS H H 8.144 0.02 1 373 48 48 LYS HA H 3.583 0.02 1 374 48 48 LYS HB2 H 1.037 0.02 1 375 48 48 LYS HB3 H -0.126 0.02 1 376 48 48 LYS HG2 H 0.850 0.02 1 377 48 48 LYS HG3 H 1.103 0.02 1 378 48 48 LYS HD2 H 0.928 0.02 1 379 48 48 LYS HD3 H 0.664 0.02 1 380 48 48 LYS HE2 H 2.571 0.02 1 381 48 48 LYS HE3 H 2.700 0.02 1 382 48 48 LYS C C 179.495 0.20 1 383 48 48 LYS CA C 59.162 0.20 1 384 48 48 LYS CB C 29.611 0.20 1 385 48 48 LYS CG C 24.145 0.20 1 386 48 48 LYS CD C 28.041 0.20 1 387 48 48 LYS CE C 40.406 0.20 1 388 48 48 LYS N N 118.493 0.30 1 389 49 49 VAL H H 7.431 0.02 1 390 49 49 VAL HA H 3.634 0.02 1 391 49 49 VAL HB H 2.297 0.02 1 392 49 49 VAL HG1 H 0.896 0.02 1 393 49 49 VAL HG2 H 1.227 0.02 1 394 49 49 VAL C C 177.298 0.20 1 395 49 49 VAL CA C 66.134 0.20 1 396 49 49 VAL CB C 31.620 0.20 1 397 49 49 VAL CG1 C 21.434 0.20 1 398 49 49 VAL CG2 C 23.186 0.20 1 399 49 49 VAL N N 120.047 0.30 1 400 50 50 LEU H H 7.981 0.02 1 401 50 50 LEU HA H 3.898 0.02 1 402 50 50 LEU HB2 H 1.674 0.02 1 403 50 50 LEU HB3 H 1.539 0.02 1 404 50 50 LEU HG H 1.590 0.02 1 405 50 50 LEU HD1 H 0.823 0.02 1 406 50 50 LEU HD2 H 0.823 0.02 1 407 50 50 LEU C C 179.406 0.20 1 408 50 50 LEU CA C 58.126 0.20 1 409 50 50 LEU CB C 40.774 0.20 1 410 50 50 LEU CG C 26.802 0.20 1 411 50 50 LEU CD1 C 24.462 0.20 1 412 50 50 LEU CD2 C 23.265 0.20 1 413 50 50 LEU N N 118.248 0.30 1 414 51 51 LYS H H 7.724 0.02 1 415 51 51 LYS HA H 3.968 0.02 1 416 51 51 LYS HB2 H 1.886 0.02 1 417 51 51 LYS HB3 H 1.886 0.02 1 418 51 51 LYS HG2 H 1.565 0.02 1 419 51 51 LYS HG3 H 1.565 0.02 1 420 51 51 LYS HD2 H 1.663 0.02 1 421 51 51 LYS HD3 H 1.663 0.02 1 422 51 51 LYS HE2 H 2.900 0.02 1 423 51 51 LYS HE3 H 2.987 0.02 1 424 51 51 LYS C C 178.728 0.20 1 425 51 51 LYS CA C 58.319 0.20 1 426 51 51 LYS CB C 31.620 0.20 1 427 51 51 LYS CG C 24.875 0.20 1 428 51 51 LYS CD C 28.110 0.20 1 429 51 51 LYS CE C 42.082 0.20 1 430 51 51 LYS N N 117.270 0.30 1 431 52 52 ALA H H 7.168 0.02 1 432 52 52 ALA HA H 2.895 0.02 1 433 52 52 ALA HB H 1.358 0.02 1 434 52 52 ALA C C 178.478 0.20 1 435 52 52 ALA CA C 54.749 0.20 1 436 52 52 ALA CB C 17.992 0.20 1 437 52 52 ALA N N 122.898 0.30 1 438 53 53 LEU H H 8.038 0.02 1 439 53 53 LEU HA H 4.566 0.02 1 440 53 53 LEU HB2 H 1.256 0.02 1 441 53 53 LEU HB3 H 1.738 0.02 1 442 53 53 LEU HG H 1.812 0.02 1 443 53 53 LEU HD1 H 0.735 0.02 1 444 53 53 LEU HD2 H 0.733 0.02 1 445 53 53 LEU C C 179.421 0.20 1 446 53 53 LEU CA C 55.633 0.20 1 447 53 53 LEU CB C 40.567 0.20 1 448 53 53 LEU CG C 25.773 0.20 1 449 53 53 LEU CD1 C 21.606 0.20 1 450 53 53 LEU CD2 C 21.606 0.20 1 451 53 53 LEU N N 115.526 0.30 1 452 54 54 GLU H H 8.115 0.02 1 453 54 54 GLU HA H 3.853 0.02 1 454 54 54 GLU HB2 H 2.104 0.02 1 455 54 54 GLU HB3 H 2.014 0.02 1 456 54 54 GLU HG2 H 2.433 0.02 1 457 54 54 GLU HG3 H 2.143 0.02 1 458 54 54 GLU C C 177.785 0.20 1 459 54 54 GLU CA C 59.632 0.20 1 460 54 54 GLU CB C 29.349 0.20 1 461 54 54 GLU CG C 36.444 0.20 1 462 54 54 GLU N N 117.806 0.30 1 463 55 55 ARG H H 7.007 0.02 1 464 55 55 ARG HA H 4.175 0.02 1 465 55 55 ARG HB2 H 1.737 0.02 1 466 55 55 ARG HB3 H 1.905 0.02 1 467 55 55 ARG HG2 H 1.834 0.02 1 468 55 55 ARG HG3 H 1.323 0.02 1 469 55 55 ARG HD2 H 3.421 0.02 1 470 55 55 ARG HD3 H 3.037 0.02 1 471 55 55 ARG HE H 6.761 0.02 1 472 55 55 ARG C C 178.787 0.20 1 473 55 55 ARG CA C 58.009 0.20 1 474 55 55 ARG CB C 28.867 0.20 1 475 55 55 ARG CG C 26.733 0.20 1 476 55 55 ARG CD C 42.288 0.20 1 477 55 55 ARG N N 117.880 0.30 1 478 55 55 ARG NE N 85.220 0.30 1 479 56 56 THR H H 8.361 0.02 1 480 56 56 THR HA H 3.761 0.02 1 481 56 56 THR HB H 4.075 0.02 1 482 56 56 THR HG2 H 0.981 0.02 1 483 56 56 THR C C 178.979 0.20 1 484 56 56 THR CA C 66.839 0.20 1 485 56 56 THR CB C 65.551 0.20 1 486 56 56 THR CG2 C 22.156 0.20 1 487 56 56 THR N N 112.234 0.30 1 488 57 57 ARG H H 9.162 0.02 1 489 57 57 ARG HA H 4.139 0.02 1 490 57 57 ARG HB2 H 1.725 0.02 1 491 57 57 ARG HB3 H 1.931 0.02 1 492 57 57 ARG HG2 H 2.167 0.02 1 493 57 57 ARG HG3 H 2.167 0.02 1 494 57 57 ARG HD2 H 3.082 0.02 1 495 57 57 ARG HD3 H 2.784 0.02 1 496 57 57 ARG HE H 8.524 0.02 1 497 57 57 ARG C C 181.278 0.20 1 498 57 57 ARG CA C 59.798 0.20 1 499 57 57 ARG CB C 30.330 0.20 1 500 57 57 ARG CG C 26.871 0.20 1 501 57 57 ARG CD C 44.284 0.20 1 502 57 57 ARG N N 123.229 0.30 1 503 57 57 ARG NE N 84.780 0.30 1 504 58 58 GLN H H 7.467 0.02 1 505 58 58 GLN HA H 4.147 0.02 1 506 58 58 GLN HB2 H 2.400 0.02 1 507 58 58 GLN HB3 H 2.278 0.02 1 508 58 58 GLN HG2 H 2.478 0.02 1 509 58 58 GLN HG3 H 2.767 0.02 1 510 58 58 GLN HE21 H 7.436 0.02 1 511 58 58 GLN HE22 H 6.823 0.02 1 512 58 58 GLN C C 177.210 0.20 1 513 58 58 GLN CA C 58.334 0.20 1 514 58 58 GLN CB C 28.041 0.20 1 515 58 58 GLN CG C 33.696 0.20 1 516 58 58 GLN N N 119.776 0.30 1 517 58 58 GLN NE2 N 111.082 0.30 1 518 59 59 LEU H H 7.173 0.02 1 519 59 59 LEU HA H 4.438 0.02 1 520 59 59 LEU HB2 H 1.892 0.02 1 521 59 59 LEU HB3 H 1.815 0.02 1 522 59 59 LEU HG H 1.696 0.02 1 523 59 59 LEU HD1 H 0.896 0.02 1 524 59 59 LEU HD2 H 0.896 0.02 1 525 59 59 LEU C C 175.589 0.20 1 526 59 59 LEU CA C 53.873 0.20 1 527 59 59 LEU CB C 41.998 0.20 1 528 59 59 LEU CG C 26.665 0.20 1 529 59 59 LEU CD1 C 22.122 0.20 1 530 59 59 LEU CD2 C 22.122 0.20 1 531 59 59 LEU N N 118.787 0.30 1 532 60 60 ASP H H 8.066 0.02 1 533 60 60 ASP HA H 4.277 0.02 1 534 60 60 ASP HB2 H 3.062 0.02 1 535 60 60 ASP HB3 H 2.753 0.02 1 536 60 60 ASP C C 175.606 0.20 1 537 60 60 ASP CA C 55.457 0.20 1 538 60 60 ASP CB C 38.779 0.20 1 539 60 60 ASP N N 115.825 0.30 1 540 61 61 ILE H H 7.664 0.02 1 541 61 61 ILE HA H 4.405 0.02 1 542 61 61 ILE HB H 1.551 0.02 1 543 61 61 ILE HG12 H 1.643 0.02 1 544 61 61 ILE HG13 H 0.936 0.02 1 545 61 61 ILE HG2 H 0.970 0.02 1 546 61 61 ILE HD1 H 0.782 0.02 1 547 61 61 ILE C C 175.677 0.20 1 548 61 61 ILE CA C 58.531 0.20 1 549 61 61 ILE CB C 39.048 0.20 1 550 61 61 ILE CG1 C 27.353 0.20 1 551 61 61 ILE CG2 C 17.297 0.20 1 552 61 61 ILE CD1 C 13.246 0.20 1 553 61 61 ILE N N 120.267 0.30 1 554 62 62 PRO HA H 4.534 0.02 1 555 62 62 PRO HB2 H 2.503 0.02 1 556 62 62 PRO HB3 H 1.976 0.02 1 557 62 62 PRO HG2 H 2.072 0.02 1 558 62 62 PRO HG3 H 2.072 0.02 1 559 62 62 PRO HD2 H 4.116 0.02 1 560 62 62 PRO HD3 H 3.634 0.02 1 561 62 62 PRO C C 178.153 0.20 1 562 62 62 PRO CA C 62.556 0.20 1 563 62 62 PRO CB C 32.652 0.20 1 564 62 62 PRO CG C 27.369 0.20 1 565 62 62 PRO CD C 51.350 0.20 1 566 63 63 ASP H H 9.120 0.02 1 567 63 63 ASP HA H 4.206 0.02 1 568 63 63 ASP HB2 H 2.612 0.02 1 569 63 63 ASP HB3 H 2.554 0.02 1 570 63 63 ASP C C 177.180 0.20 1 571 63 63 ASP CA C 57.510 0.20 1 572 63 63 ASP CB C 39.742 0.20 1 573 63 63 ASP N N 126.457 0.30 1 574 64 64 GLU H H 9.287 0.02 1 575 64 64 GLU HA H 4.078 0.02 1 576 64 64 GLU HB2 H 2.003 0.02 1 577 64 64 GLU HB3 H 2.003 0.02 1 578 64 64 GLU HG2 H 2.274 0.02 1 579 64 64 GLU HG3 H 2.274 0.02 1 580 64 64 GLU C C 177.917 0.20 1 581 64 64 GLU CA C 58.830 0.20 1 582 64 64 GLU CB C 28.523 0.20 1 583 64 64 GLU CG C 36.169 0.20 1 584 64 64 GLU N N 115.267 0.30 1 585 65 65 LYS H H 7.572 0.02 1 586 65 65 LYS HA H 4.373 0.02 1 587 65 65 LYS HB2 H 1.873 0.02 1 588 65 65 LYS HB3 H 1.789 0.02 1 589 65 65 LYS HG2 H 1.453 0.02 1 590 65 65 LYS HG3 H 1.336 0.02 1 591 65 65 LYS HD2 H 1.602 0.02 1 592 65 65 LYS HD3 H 1.666 0.02 1 593 65 65 LYS HE2 H 2.947 0.02 1 594 65 65 LYS HE3 H 2.947 0.02 1 595 65 65 LYS C C 177.652 0.20 1 596 65 65 LYS CA C 57.129 0.20 1 597 65 65 LYS CB C 32.377 0.20 1 598 65 65 LYS CG C 25.288 0.20 1 599 65 65 LYS CD C 28.729 0.20 1 600 65 65 LYS CE C 41.600 0.20 1 601 65 65 LYS N N 118.245 0.30 1 602 66 66 THR H H 7.706 0.02 1 603 66 66 THR HA H 3.608 0.02 1 604 66 66 THR HB H 3.953 0.02 1 605 66 66 THR HG2 H 1.144 0.02 1 606 66 66 THR C C 176.443 0.20 1 607 66 66 THR CA C 66.222 0.20 1 608 66 66 THR CB C 68.511 0.20 1 609 66 66 THR CG2 C 23.835 0.20 1 610 66 66 THR N N 116.775 0.30 1 611 67 67 MET H H 8.364 0.02 1 612 67 67 MET HA H 4.431 0.02 1 613 67 67 MET HB2 H 2.133 0.02 1 614 67 67 MET HB3 H 2.060 0.02 1 615 67 67 MET HG2 H 2.722 0.02 1 616 67 67 MET HG3 H 2.593 0.02 1 617 67 67 MET HE H 1.982 0.02 1 618 67 67 MET C C 174.645 0.20 1 619 67 67 MET CA C 58.256 0.20 1 620 67 67 MET CB C 27.628 0.20 1 621 67 67 MET CG C 31.710 0.20 1 622 67 67 MET CE C 15.860 0.20 1 623 67 67 MET N N 117.020 0.30 1 624 68 68 PRO HA H 4.296 0.02 1 625 68 68 PRO HB2 H 1.860 0.02 1 626 68 68 PRO HB3 H 2.316 0.02 1 627 68 68 PRO HG2 H 2.010 0.02 1 628 68 68 PRO HG3 H 2.125 0.02 1 629 68 68 PRO HD2 H 3.634 0.02 1 630 68 68 PRO HD3 H 3.454 0.02 1 631 68 68 PRO C C 179.863 0.20 1 632 68 68 PRO CA C 65.694 0.20 1 633 68 68 PRO CB C 30.863 0.20 1 634 68 68 PRO CG C 28.242 0.20 1 635 68 68 PRO CD C 49.997 0.20 1 636 69 69 VAL H H 6.633 0.02 1 637 69 69 VAL HA H 3.602 0.02 1 638 69 69 VAL HB H 2.034 0.02 1 639 69 69 VAL HG1 H 0.863 0.02 1 640 69 69 VAL HG2 H 1.024 0.02 1 641 69 69 VAL C C 177.180 0.20 1 642 69 69 VAL CA C 65.335 0.20 1 643 69 69 VAL CB C 31.183 0.20 1 644 69 69 VAL CG1 C 22.652 0.20 1 645 69 69 VAL CG2 C 22.652 0.20 1 646 69 69 VAL N N 117.927 0.30 1 647 70 70 LEU H H 8.696 0.02 1 648 70 70 LEU HA H 3.833 0.02 1 649 70 70 LEU HB2 H 2.019 0.02 1 650 70 70 LEU HB3 H 1.357 0.02 1 651 70 70 LEU HG H 1.480 0.02 1 652 70 70 LEU HD1 H 1.024 0.02 1 653 70 70 LEU HD2 H 0.863 0.02 1 654 70 70 LEU C C 177.711 0.20 1 655 70 70 LEU CA C 58.246 0.20 1 656 70 70 LEU CB C 41.802 0.20 1 657 70 70 LEU CG C 26.733 0.20 1 658 70 70 LEU CD1 C 24.670 0.20 1 659 70 70 LEU CD2 C 23.186 0.20 1 660 70 70 LEU N N 121.026 0.30 1 661 71 71 MET H H 8.329 0.02 1 662 71 71 MET HA H 4.129 0.02 1 663 71 71 MET HB2 H 2.021 0.02 1 664 71 71 MET HB3 H 2.041 0.02 1 665 71 71 MET HG2 H 2.638 0.02 1 666 71 71 MET HG3 H 2.753 0.02 1 667 71 71 MET HE H 1.911 0.02 1 668 71 71 MET C C 178.934 0.20 1 669 71 71 MET CA C 57.864 0.20 1 670 71 71 MET CB C 31.620 0.20 1 671 71 71 MET CG C 32.171 0.20 1 672 71 71 MET CE C 20.424 0.20 1 673 71 71 MET N N 114.223 0.30 1 674 72 72 LYS H H 7.414 0.02 1 675 72 72 LYS HA H 4.127 0.02 1 676 72 72 LYS HB2 H 1.995 0.02 1 677 72 72 LYS HB3 H 1.898 0.02 1 678 72 72 LYS HG2 H 1.364 0.02 1 679 72 72 LYS HG3 H 1.474 0.02 1 680 72 72 LYS HD2 H 1.652 0.02 1 681 72 72 LYS HD3 H 1.652 0.02 1 682 72 72 LYS HE2 H 2.951 0.02 1 683 72 72 LYS HE3 H 3.015 0.02 1 684 72 72 LYS C C 178.522 0.20 1 685 72 72 LYS CA C 59.006 0.20 1 686 72 72 LYS CB C 32.097 0.20 1 687 72 72 LYS CG C 24.324 0.20 1 688 72 72 LYS CD C 28.867 0.20 1 689 72 72 LYS CE C 41.806 0.20 1 690 72 72 LYS N N 121.108 0.30 1 691 73 73 LEU H H 8.518 0.02 1 692 73 73 LEU HA H 4.013 0.02 1 693 73 73 LEU HB2 H 1.699 0.02 1 694 73 73 LEU HB3 H 1.416 0.02 1 695 73 73 LEU HG H 1.700 0.02 1 696 73 73 LEU HD1 H 0.833 0.02 1 697 73 73 LEU HD2 H 0.789 0.02 1 698 73 73 LEU C C 179.848 0.20 1 699 73 73 LEU CA C 57.430 0.20 1 700 73 73 LEU CB C 41.806 0.20 1 701 73 73 LEU CG C 26.665 0.20 1 702 73 73 LEU CD1 C 24.975 0.20 1 703 73 73 LEU CD2 C 23.607 0.20 1 704 73 73 LEU N N 120.323 0.30 1 705 74 74 LEU H H 8.399 0.02 1 706 74 74 LEU HA H 3.600 0.02 1 707 74 74 LEU HB2 H 1.425 0.02 1 708 74 74 LEU HB3 H 1.345 0.02 1 709 74 74 LEU HG H 1.098 0.02 1 710 74 74 LEU HD1 H 0.149 0.02 1 711 74 74 LEU HD2 H -0.056 0.02 1 712 74 74 LEU C C 179.170 0.20 1 713 74 74 LEU CA C 57.734 0.20 1 714 74 74 LEU CB C 41.944 0.20 1 715 74 74 LEU CG C 26.483 0.20 1 716 74 74 LEU CD1 C 23.526 0.20 1 717 74 74 LEU CD2 C 22.681 0.20 1 718 74 74 LEU N N 119.386 0.30 1 719 75 75 GLU H H 7.730 0.02 1 720 75 75 GLU HA H 4.001 0.02 1 721 75 75 GLU HB2 H 2.175 0.02 1 722 75 75 GLU HB3 H 2.175 0.02 1 723 75 75 GLU HG2 H 2.184 0.02 1 724 75 75 GLU HG3 H 2.323 0.02 1 725 75 75 GLU C C 180.718 0.20 1 726 75 75 GLU CA C 59.388 0.20 1 727 75 75 GLU CB C 29.111 0.20 1 728 75 75 GLU CG C 35.804 0.20 1 729 75 75 GLU N N 120.060 0.30 1 730 76 76 GLU H H 8.355 0.02 1 731 76 76 GLU HA H 4.001 0.02 1 732 76 76 GLU HB2 H 2.136 0.02 1 733 76 76 GLU HB3 H 2.018 0.02 1 734 76 76 GLU HG2 H 2.242 0.02 1 735 76 76 GLU HG3 H 2.477 0.02 1 736 76 76 GLU C C 177.711 0.20 1 737 76 76 GLU CA C 58.839 0.20 1 738 76 76 GLU CB C 29.470 0.20 1 739 76 76 GLU CG C 36.163 0.20 1 740 76 76 GLU N N 121.252 0.30 1 741 77 77 ALA H H 7.971 0.02 1 742 77 77 ALA HA H 4.435 0.02 1 743 77 77 ALA HB H 1.471 0.02 1 744 77 77 ALA C C 178.610 0.20 1 745 77 77 ALA CA C 51.262 0.20 1 746 77 77 ALA CB C 18.887 0.20 1 747 77 77 ALA N N 118.984 0.30 1 748 78 78 GLY H H 7.920 0.02 1 749 78 78 GLY HA2 H 3.960 0.02 1 750 78 78 GLY HA3 H 3.870 0.02 1 751 78 78 GLY C C 176.119 0.20 1 752 78 78 GLY CA C 46.963 0.20 1 753 78 78 GLY N N 110.457 0.30 1 754 79 79 GLY H H 8.844 0.02 1 755 79 79 GLY HA2 H 4.132 0.02 1 756 79 79 GLY HA3 H 3.309 0.02 1 757 79 79 GLY C C 173.157 0.20 1 758 79 79 GLY CA C 44.896 0.20 1 759 79 79 GLY N N 105.048 0.30 1 760 80 80 ASN H H 6.942 0.02 1 761 80 80 ASN HA H 4.807 0.02 1 762 80 80 ASN HB2 H 2.856 0.02 1 763 80 80 ASN HB3 H 3.196 0.02 1 764 80 80 ASN HD21 H 7.791 0.02 1 765 80 80 ASN HD22 H 7.142 0.02 1 766 80 80 ASN C C 175.338 0.20 1 767 80 80 ASN CA C 52.318 0.20 1 768 80 80 ASN CB C 38.227 0.20 1 769 80 80 ASN N N 116.845 0.30 1 770 80 80 ASN ND2 N 112.414 0.30 1 771 81 81 TRP H H 8.760 0.02 1 772 81 81 TRP HA H 4.043 0.02 1 773 81 81 TRP HB2 H 3.133 0.02 1 774 81 81 TRP HB3 H 3.350 0.02 1 775 81 81 TRP HD1 H 7.424 0.02 1 776 81 81 TRP HE1 H 10.367 0.02 1 777 81 81 TRP HE3 H 7.547 0.02 1 778 81 81 TRP HZ2 H 7.343 0.02 1 779 81 81 TRP HZ3 H 6.968 0.02 1 780 81 81 TRP HH2 H 6.907 0.02 1 781 81 81 TRP C C 178.006 0.20 1 782 81 81 TRP CA C 60.532 0.20 1 783 81 81 TRP CB C 29.486 0.20 1 784 81 81 TRP CD1 C 126.535 0.20 1 785 81 81 TRP CE3 C 119.412 0.20 1 786 81 81 TRP CZ2 C 115.400 0.20 1 787 81 81 TRP CZ3 C 121.610 0.20 1 788 81 81 TRP CH2 C 123.781 0.20 1 789 81 81 TRP N N 126.207 0.30 1 790 81 81 TRP NE1 N 130.295 0.30 1 791 82 82 SER H H 8.426 0.02 1 792 82 82 SER HA H 4.000 0.02 1 793 82 82 SER HB2 H 3.885 0.02 1 794 82 82 SER HB3 H 3.885 0.02 1 795 82 82 SER C C 175.839 0.20 1 796 82 82 SER CA C 62.535 0.20 1 797 82 82 SER CB C 63.685 0.20 1 798 82 82 SER N N 114.929 0.30 1 799 83 83 TYR H H 7.696 0.02 1 800 83 83 TYR HA H 4.316 0.02 1 801 83 83 TYR HB2 H 2.927 0.02 1 802 83 83 TYR HB3 H 3.049 0.02 1 803 83 83 TYR HD1 H 6.982 0.02 1 804 83 83 TYR HD2 H 6.982 0.02 1 805 83 83 TYR HE1 H 6.726 0.02 1 806 83 83 TYR HE2 H 6.726 0.02 1 807 83 83 TYR C C 176.267 0.20 1 808 83 83 TYR CA C 59.564 0.20 1 809 83 83 TYR CB C 38.159 0.20 1 810 83 83 TYR CD1 C 132.800 0.20 1 811 83 83 TYR CD2 C 132.800 0.20 1 812 83 83 TYR CE1 C 117.600 0.20 1 813 83 83 TYR CE2 C 117.600 0.20 1 814 83 83 TYR N N 119.746 0.30 1 815 84 84 ILE H H 7.215 0.02 1 816 84 84 ILE HA H 3.296 0.02 1 817 84 84 ILE HB H 1.849 0.02 1 818 84 84 ILE HG12 H 1.401 0.02 1 819 84 84 ILE HG13 H 0.928 0.02 1 820 84 84 ILE HG2 H 0.887 0.02 1 821 84 84 ILE HD1 H 0.389 0.02 1 822 84 84 ILE C C 175.412 0.20 1 823 84 84 ILE CA C 64.151 0.20 1 824 84 84 ILE CB C 37.922 0.20 1 825 84 84 ILE CG1 C 28.970 0.20 1 826 84 84 ILE CG2 C 17.705 0.20 1 827 84 84 ILE CD1 C 12.680 0.20 1 828 84 84 ILE N N 119.234 0.30 1 829 85 85 LYS H H 7.624 0.02 1 830 85 85 LYS HA H 3.171 0.02 1 831 85 85 LYS HB2 H 1.477 0.02 1 832 85 85 LYS HB3 H 1.477 0.02 1 833 85 85 LYS HG2 H 1.319 0.02 1 834 85 85 LYS HG3 H 1.319 0.02 1 835 85 85 LYS HD2 H 1.624 0.02 1 836 85 85 LYS HD3 H 1.624 0.02 1 837 85 85 LYS HE2 H 2.907 0.02 1 838 85 85 LYS HE3 H 2.900 0.02 1 839 85 85 LYS C C 177.519 0.20 1 840 85 85 LYS CA C 56.777 0.20 1 841 85 85 LYS CB C 33.710 0.20 1 842 85 85 LYS CG C 24.256 0.20 1 843 85 85 LYS CD C 29.349 0.20 1 844 85 85 LYS CE C 41.248 0.20 1 845 85 85 LYS N N 111.760 0.30 1 846 86 86 LEU H H 6.779 0.02 1 847 86 86 LEU HA H 3.885 0.02 1 848 86 86 LEU HB2 H 1.567 0.02 1 849 86 86 LEU HB3 H 1.695 0.02 1 850 86 86 LEU HG H 1.631 0.02 1 851 86 86 LEU HD1 H 0.880 0.02 1 852 86 86 LEU HD2 H 0.880 0.02 1 853 86 86 LEU C C 177.343 0.20 1 854 86 86 LEU CA C 56.073 0.20 1 855 86 86 LEU CB C 42.086 0.20 1 856 86 86 LEU CG C 25.887 0.20 1 857 86 86 LEU CD1 C 24.462 0.20 1 858 86 86 LEU CD2 C 24.462 0.20 1 859 86 86 LEU N N 121.402 0.30 1 860 87 87 ASP H H 9.095 0.02 1 861 87 87 ASP HA H 4.274 0.02 1 862 87 87 ASP HB2 H 2.808 0.02 1 863 87 87 ASP HB3 H 2.586 0.02 1 864 87 87 ASP C C 177.319 0.20 1 865 87 87 ASP CA C 54.811 0.20 1 866 87 87 ASP CB C 38.159 0.20 1 867 87 87 ASP N N 122.978 0.30 1 868 88 88 ASN H H 8.844 0.02 1 869 88 88 ASN HA H 4.403 0.02 1 870 88 88 ASN HB2 H 2.591 0.02 1 871 88 88 ASN HB3 H 3.255 0.02 1 872 88 88 ASN HD21 H 7.029 0.02 1 873 88 88 ASN HD22 H 7.617 0.02 1 874 88 88 ASN CA C 53.232 0.20 1 875 88 88 ASN CB C 36.438 0.20 1 876 88 88 ASN N N 118.934 0.30 1 877 88 88 ASN ND2 N 110.016 0.30 1 878 89 89 TYR H H 7.332 0.02 1 879 89 89 TYR HA H 4.852 0.02 1 880 89 89 TYR HB2 H 3.396 0.02 1 881 89 89 TYR HB3 H 3.225 0.02 1 882 89 89 TYR HD1 H 6.911 0.02 1 883 89 89 TYR HD2 H 6.911 0.02 1 884 89 89 TYR HE1 H 6.861 0.02 1 885 89 89 TYR HE2 H 6.861 0.02 1 886 89 89 TYR HH H 9.560 0.02 1 887 89 89 TYR C C 176.871 0.20 1 888 89 89 TYR CA C 58.158 0.20 1 889 89 89 TYR CB C 34.235 0.20 1 890 89 89 TYR CD1 C 133.400 0.20 1 891 89 89 TYR CD2 C 133.400 0.20 1 892 89 89 TYR CE1 C 117.200 0.20 1 893 89 89 TYR CE2 C 117.200 0.20 1 894 89 89 TYR N N 109.982 0.30 1 895 90 90 THR H H 7.507 0.02 1 896 90 90 THR HA H 3.832 0.02 1 897 90 90 THR HB H 4.078 0.02 1 898 90 90 THR HG2 H 1.208 0.02 1 899 90 90 THR C C 174.751 0.20 1 900 90 90 THR CA C 68.452 0.20 1 901 90 90 THR CB C 69.333 0.20 1 902 90 90 THR CG2 C 20.883 0.20 1 903 90 90 THR N N 117.043 0.30 1 904 91 91 ALA H H 9.605 0.02 1 905 91 91 ALA HA H 4.095 0.02 1 906 91 91 ALA HB H 1.217 0.02 1 907 91 91 ALA C C 180.688 0.20 1 908 91 91 ALA CA C 54.929 0.20 1 909 91 91 ALA CB C 18.405 0.20 1 910 91 91 ALA N N 120.752 0.30 1 911 92 92 LEU H H 6.919 0.02 1 912 92 92 LEU HA H 4.083 0.02 1 913 92 92 LEU HB2 H 2.402 0.02 1 914 92 92 LEU HB3 H 1.310 0.02 1 915 92 92 LEU HG H 1.519 0.02 1 916 92 92 LEU HD1 H 0.883 0.02 1 917 92 92 LEU HD2 H 0.888 0.02 1 918 92 92 LEU C C 176.296 0.20 1 919 92 92 LEU CA C 57.017 0.20 1 920 92 92 LEU CB C 42.683 0.20 1 921 92 92 LEU CG C 26.964 0.20 1 922 92 92 LEU CD1 C 22.980 0.20 1 923 92 92 LEU CD2 C 22.980 0.20 1 924 92 92 LEU N N 116.482 0.30 1 925 93 93 VAL H H 7.911 0.02 1 926 93 93 VAL HA H 3.158 0.02 1 927 93 93 VAL HB H 2.061 0.02 1 928 93 93 VAL HG1 H 0.752 0.02 1 929 93 93 VAL HG2 H 0.835 0.02 1 930 93 93 VAL C C 177.343 0.20 1 931 93 93 VAL CA C 67.471 0.20 1 932 93 93 VAL CB C 31.574 0.20 1 933 93 93 VAL CG1 C 21.916 0.20 1 934 93 93 VAL CG2 C 21.916 0.20 1 935 93 93 VAL N N 119.151 0.30 1 936 94 94 ASP H H 8.729 0.02 1 937 94 94 ASP HA H 4.409 0.02 1 938 94 94 ASP HB2 H 2.568 0.02 1 939 94 94 ASP HB3 H 2.677 0.02 1 940 94 94 ASP C C 179.406 0.20 1 941 94 94 ASP CA C 57.187 0.20 1 942 94 94 ASP CB C 39.948 0.20 1 943 94 94 ASP N N 117.315 0.30 1 944 95 95 ALA H H 7.553 0.02 1 945 95 95 ALA HA H 4.187 0.02 1 946 95 95 ALA HB H 1.526 0.02 1 947 95 95 ALA C C 180.305 0.20 1 948 95 95 ALA CA C 54.870 0.20 1 949 95 95 ALA CB C 18.612 0.20 1 950 95 95 ALA N N 121.649 0.30 1 951 96 96 ILE H H 8.175 0.02 1 952 96 96 ILE HA H 3.634 0.02 1 953 96 96 ILE HB H 1.851 0.02 1 954 96 96 ILE HG12 H 0.923 0.02 1 955 96 96 ILE HG13 H 1.438 0.02 1 956 96 96 ILE HG2 H 0.690 0.02 1 957 96 96 ILE HD1 H 0.844 0.02 1 958 96 96 ILE C C 178.492 0.20 1 959 96 96 ILE CA C 65.483 0.20 1 960 96 96 ILE CB C 38.227 0.20 1 961 96 96 ILE CG1 C 29.000 0.20 1 962 96 96 ILE CG2 C 17.134 0.20 1 963 96 96 ILE CD1 C 12.535 0.20 1 964 96 96 ILE N N 120.722 0.30 1 965 97 97 TYR H H 8.080 0.02 1 966 97 97 TYR HA H 4.547 0.02 1 967 97 97 TYR HB2 H 2.998 0.02 1 968 97 97 TYR HB3 H 3.210 0.02 1 969 97 97 TYR HD1 H 7.170 0.02 1 970 97 97 TYR HD2 H 7.170 0.02 1 971 97 97 TYR HE1 H 6.728 0.02 1 972 97 97 TYR HE2 H 6.728 0.02 1 973 97 97 TYR C C 177.759 0.20 1 974 97 97 TYR CA C 58.669 0.20 1 975 97 97 TYR CB C 36.920 0.20 1 976 97 97 TYR CD1 C 132.000 0.20 1 977 97 97 TYR CD2 C 132.000 0.20 1 978 97 97 TYR CE1 C 117.700 0.20 1 979 97 97 TYR CE2 C 117.700 0.20 1 980 97 97 TYR N N 118.055 0.30 1 981 98 98 SER H H 7.986 0.02 1 982 98 98 SER HA H 4.417 0.02 1 983 98 98 SER HB2 H 4.020 0.02 1 984 98 98 SER HB3 H 4.020 0.02 1 985 98 98 SER CA C 60.302 0.20 1 986 98 98 SER CB C 63.280 0.20 1 987 98 98 SER N N 114.959 0.30 1 988 99 99 VAL H H 7.602 0.02 1 989 99 99 VAL HA H 4.031 0.02 1 990 99 99 VAL HB H 2.206 0.02 1 991 99 99 VAL HG1 H 0.944 0.02 1 992 99 99 VAL HG2 H 1.041 0.02 1 993 99 99 VAL C C 176.989 0.20 1 994 99 99 VAL CA C 63.846 0.20 1 995 99 99 VAL CB C 31.827 0.20 1 996 99 99 VAL CG1 C 21.194 0.20 1 997 99 99 VAL N N 120.860 0.30 1 998 100 100 GLU H H 8.100 0.02 1 999 100 100 GLU HA H 4.238 0.02 1 1000 100 100 GLU HB2 H 2.111 0.02 1 1001 100 100 GLU HB3 H 2.051 0.02 1 1002 100 100 GLU HG2 H 2.329 0.02 1 1003 100 100 GLU HG3 H 2.293 0.02 1 1004 100 100 GLU C C 176.930 0.20 1 1005 100 100 GLU CA C 57.070 0.20 1 1006 100 100 GLU CB C 29.968 0.20 1 1007 100 100 GLU CG C 35.887 0.20 1 1008 100 100 GLU N N 122.467 0.30 1 1009 101 101 ASP H H 8.242 0.02 1 1010 101 101 ASP HA H 4.553 0.02 1 1011 101 101 ASP HB2 H 2.721 0.02 1 1012 101 101 ASP HB3 H 2.676 0.02 1 1013 101 101 ASP C C 176.883 0.20 1 1014 101 101 ASP CA C 55.090 0.20 1 1015 101 101 ASP CB C 41.049 0.20 1 1016 101 101 ASP N N 120.954 0.30 1 1017 102 102 GLU H H 8.342 0.02 1 1018 102 102 GLU HA H 4.181 0.02 1 1019 102 102 GLU HB2 H 2.059 0.02 1 1020 102 102 GLU HB3 H 2.027 0.02 1 1021 102 102 GLU HG2 H 2.228 0.02 1 1022 102 102 GLU HG3 H 2.292 0.02 1 1023 102 102 GLU C C 176.879 0.20 1 1024 102 102 GLU CA C 57.451 0.20 1 1025 102 102 GLU CB C 29.693 0.20 1 1026 102 102 GLU CG C 35.818 0.20 1 1027 102 102 GLU N N 121.339 0.30 1 1028 103 103 ASN H H 8.397 0.02 1 1029 103 103 ASN HA H 4.682 0.02 1 1030 103 103 ASN HB2 H 2.766 0.02 1 1031 103 103 ASN HB3 H 2.869 0.02 1 1032 103 103 ASN HD21 H 7.662 0.02 1 1033 103 103 ASN HD22 H 6.924 0.02 1 1034 103 103 ASN C C 175.426 0.20 1 1035 103 103 ASN CA C 53.491 0.20 1 1036 103 103 ASN CB C 38.434 0.20 1 1037 103 103 ASN N N 118.748 0.30 1 1038 103 103 ASN ND2 N 113.270 0.30 1 1039 104 104 LYS H H 8.057 0.02 1 1040 104 104 LYS HA H 4.277 0.02 1 1041 104 104 LYS HB2 H 1.860 0.02 1 1042 104 104 LYS HB3 H 1.783 0.02 1 1043 104 104 LYS HG2 H 1.383 0.02 1 1044 104 104 LYS HG3 H 1.468 0.02 1 1045 104 104 LYS HD2 H 1.662 0.02 1 1046 104 104 LYS HD3 H 1.662 0.02 1 1047 104 104 LYS HE2 H 2.983 0.02 1 1048 104 104 LYS HE3 H 2.983 0.02 1 1049 104 104 LYS C C 176.841 0.20 1 1050 104 104 LYS CA C 56.571 0.20 1 1051 104 104 LYS CB C 32.515 0.20 1 1052 104 104 LYS CG C 24.393 0.20 1 1053 104 104 LYS CD C 29.142 0.20 1 1054 104 104 LYS CE C 41.738 0.20 1 1055 104 104 LYS N N 121.455 0.30 1 1056 105 105 GLN H H 8.369 0.02 1 1057 105 105 GLN HA H 4.348 0.02 1 1058 105 105 GLN HB2 H 2.136 0.02 1 1059 105 105 GLN HB3 H 2.014 0.02 1 1060 105 105 GLN HG2 H 2.376 0.02 1 1061 105 105 GLN HG3 H 2.376 0.02 1 1062 105 105 GLN HE21 H 6.833 0.02 1 1063 105 105 GLN HE22 H 7.527 0.02 1 1064 105 105 GLN C C 176.178 0.20 1 1065 105 105 GLN CA C 55.916 0.20 1 1066 105 105 GLN CB C 29.280 0.20 1 1067 105 105 GLN CG C 33.478 0.20 1 1068 105 105 GLN N N 121.145 0.30 1 1069 105 105 GLN NE2 N 112.161 0.30 1 1070 106 106 SER H H 8.326 0.02 1 1071 106 106 SER HA H 4.438 0.02 1 1072 106 106 SER HB2 H 3.865 0.02 1 1073 106 106 SER HB3 H 3.865 0.02 1 1074 106 106 SER C C 174.586 0.20 1 1075 106 106 SER CA C 58.302 0.20 1 1076 106 106 SER CB C 63.762 0.20 1 1077 106 106 SER N N 116.922 0.30 1 1078 107 107 GLU H H 8.467 0.02 1 1079 107 107 GLU HA H 4.328 0.02 1 1080 107 107 GLU HB2 H 2.085 0.02 1 1081 107 107 GLU HB3 H 1.969 0.02 1 1082 107 107 GLU HG2 H 2.266 0.02 1 1083 107 107 GLU HG3 H 2.266 0.02 1 1084 107 107 GLU C C 176.886 0.20 1 1085 107 107 GLU CA C 56.777 0.20 1 1086 107 107 GLU CB C 30.106 0.20 1 1087 107 107 GLU CG C 35.980 0.20 1 1088 107 107 GLU N N 122.942 0.30 1 1089 108 108 GLY H H 8.432 0.02 1 1090 108 108 GLY HA2 H 3.988 0.02 1 1091 108 108 GLY HA3 H 3.988 0.02 1 1092 108 108 GLY C C 173.371 0.20 1 1093 108 108 GLY CA C 45.248 0.20 1 1094 108 108 GLY N N 110.489 0.30 1 1095 109 109 SER H H 7.877 0.02 1 1096 109 109 SER HA H 4.277 0.02 1 1097 109 109 SER HB2 H 3.840 0.02 1 1098 109 109 SER HB3 H 3.840 0.02 1 1099 109 109 SER CA C 59.564 0.20 1 1100 109 109 SER CB C 64.794 0.20 1 1101 109 109 SER N N 121.116 0.30 1 stop_ save_