data_34248 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR Solution Structure of Yeast TSR2(1-152) in Complex with S26A(100-119) ; _BMRB_accession_number 34248 _BMRB_flat_file_name bmr34248.str _Entry_type original _Submission_date 2018-03-16 _Accession_date 2018-03-16 _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 Michel E. . . 2 Schuetz S. . . 3 Damberger F. F. . 4 Allain F. H.-T. . 5 Panse V. G. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 3 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 1090 "13C chemical shifts" 638 "15N chemical shifts" 202 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2018-09-14 original BMRB . stop_ _Original_release_date 2018-09-13 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Molecular basis for disassembly of an importin:ribosomal protein complex by the escortin Tsr2. ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 30201955 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Schutz S. . . 2 Michel E. . . 3 Damberger F. F. . 4 Oplova M. . . 5 Pena C. . . 6 Leitner A. . . 7 Aebersold R. . . 8 Allain F. H. . 9 Panse V. G. . stop_ _Journal_abbreviation 'Nat. Commun.' _Journal_volume 9 _Journal_issue . _Journal_ISSN 2041-1723 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 3669 _Page_last 3669 _Year 2018 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Pre-rRNA-processing protein TSR2, 40S ribosomal protein S26-A' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label entity_1 $entity_1 entity_2 $entity_2 stop_ _System_molecular_weight . _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity_1 _Molecular_mass 17938.062 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 156 _Mol_residue_sequence ; SGSHMSTQYIDETAFVQAEQ GKTNLMFSDEKQQARFELGV SMVIYKWDALDVAVENSWGG PDSAEKRDWITGIVVDLFKN EKVVDAALIEETLLYAMIDE FETNVEDDSALPIAVEVINI YNDCFNLNYNKVEKLYLEWQ EKQRTKKSKRVVHIEG ; loop_ _Residue_seq_code _Residue_label 1 SER 2 GLY 3 SER 4 HIS 5 MET 6 SER 7 THR 8 GLN 9 TYR 10 ILE 11 ASP 12 GLU 13 THR 14 ALA 15 PHE 16 VAL 17 GLN 18 ALA 19 GLU 20 GLN 21 GLY 22 LYS 23 THR 24 ASN 25 LEU 26 MET 27 PHE 28 SER 29 ASP 30 GLU 31 LYS 32 GLN 33 GLN 34 ALA 35 ARG 36 PHE 37 GLU 38 LEU 39 GLY 40 VAL 41 SER 42 MET 43 VAL 44 ILE 45 TYR 46 LYS 47 TRP 48 ASP 49 ALA 50 LEU 51 ASP 52 VAL 53 ALA 54 VAL 55 GLU 56 ASN 57 SER 58 TRP 59 GLY 60 GLY 61 PRO 62 ASP 63 SER 64 ALA 65 GLU 66 LYS 67 ARG 68 ASP 69 TRP 70 ILE 71 THR 72 GLY 73 ILE 74 VAL 75 VAL 76 ASP 77 LEU 78 PHE 79 LYS 80 ASN 81 GLU 82 LYS 83 VAL 84 VAL 85 ASP 86 ALA 87 ALA 88 LEU 89 ILE 90 GLU 91 GLU 92 THR 93 LEU 94 LEU 95 TYR 96 ALA 97 MET 98 ILE 99 ASP 100 GLU 101 PHE 102 GLU 103 THR 104 ASN 105 VAL 106 GLU 107 ASP 108 ASP 109 SER 110 ALA 111 LEU 112 PRO 113 ILE 114 ALA 115 VAL 116 GLU 117 VAL 118 ILE 119 ASN 120 ILE 121 TYR 122 ASN 123 ASP 124 CYS 125 PHE 126 ASN 127 LEU 128 ASN 129 TYR 130 ASN 131 LYS 132 VAL 133 GLU 134 LYS 135 LEU 136 TYR 137 LEU 138 GLU 139 TRP 140 GLN 141 GLU 142 LYS 143 GLN 144 ARG 145 THR 146 LYS 147 LYS 148 SER 149 LYS 150 ARG 151 VAL 152 VAL 153 HIS 154 ILE 155 GLU 156 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ save_entity_2 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity_2 _Molecular_mass 2903.303 _Mol_thiol_state 'not present' _Details . _Residue_count 26 _Mol_residue_sequence ; SGSQHMRPRFNRENKVSPAD AAKKAL ; loop_ _Residue_seq_code _Residue_label 1 SER 2 GLY 3 SER 4 GLN 5 HIS 6 MET 7 ARG 8 PRO 9 ARG 10 PHE 11 ASN 12 ARG 13 GLU 14 ASN 15 LYS 16 VAL 17 SER 18 PRO 19 ALA 20 ASP 21 ALA 22 ALA 23 LYS 24 LYS 25 ALA 26 LEU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Strain _Gene_mnemonic $entity_1 "Baker's yeast" 559292 Eukaryota Fungi Saccharomyces cerevisiae 'ATCC 204508 / S288c' 'TSR2, YLR435W' $entity_2 "Baker's yeast" 559292 Eukaryota Fungi Saccharomyces cerevisiae 'ATCC 204508 / S288c' 'RPS26A, RPS26, YGL189C, G1355' stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Variant _Vector_name $entity_1 'recombinant technology' . . . . CodonPlusRIL . $entity_2 'recombinant technology' . . . . CodonPlusRIL . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details ; 0.5 mM [U-13C; U-15N] Tsr2(1-152), 0.5 mM S26A(100-119), 20 mM sodium phosphate, 1 mM [U-2H] DTT, 10 uM EDTA, 95% H2O/5% D2O ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 0.5 mM '[U-13C; U-15N]' $entity_2 0.5 mM 'natural abundance' 'sodium phosphate' 20 mM 'natural abundance' DTT 1 mM [U-2H] EDTA 10 uM 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details ; 0.5 mM Tsr2(1-152), 0.5 mM [U-13C; U-15N] S26A(100-119), 20 mM sodium phosphate, 1 mM [U-2H] DTT, 10 uM EDTA, 95% H2O/5% D2O ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 0.5 mM 'natural abundance' $entity_2 0.5 mM '[U-13C; U-15N]' 'sodium phosphate' 20 mM 'natural abundance' DTT 1 mM [U-2H] EDTA 10 uM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name CARA _Version . loop_ _Vendor _Address _Electronic_address 'Keller and Wuthrich' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_software_2 _Saveframe_category software _Name ATNOS _Version . loop_ _Vendor _Address _Electronic_address 'Herrmann, Guntert and Wuthrich' . . stop_ loop_ _Task 'peak picking' stop_ _Details . save_ save_software_3 _Saveframe_category software _Name CYANA _Version . loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure calculation' stop_ _Details . save_ save_software_4 _Saveframe_category software _Name AMBER _Version . loop_ _Vendor _Address _Electronic_address 'Case, Darden, Cheatham III, Simmerling, Wang, Duke, Luo, ... and Kollman' . . stop_ loop_ _Task refinement stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 750 _Details . save_ save_NMR_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 900 _Details . save_ save_NMR_spectrometer_4 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_HNCA_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _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_HBHA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aliphatic_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aromatic_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _Sample_label $sample_1 save_ save_3D_HNCA_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_2 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_H(CCO)NH_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _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_2 save_ save_3D_1H-13C_NOESY_aliphatic_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_2 save_ save_3D_1H-13C_NOESY_aromatic_14 _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' 41 . mM pH 7 . pH pressure 1 . atm temperature 293.15 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_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 water C 13 protons Hz 899600141.2372 internal indirect . . . 0.251449530 water H 1 protons Hz 899600141.2372 internal direct . . . 1 water N 15 protons Hz 899600141.2372 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_chemical_shifts_1_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D HNCA' '3D CBCA(CO)NH' '3D HBHA(CO)NH' '3D HCCH-TOCSY' '3D 1H-15N NOESY' '3D 1H-13C NOESY aliphatic' '3D 1H-13C NOESY aromatic' '3D C(CO)NH' '3D H(CCO)NH' stop_ loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chem_shift_reference_1 _Mol_system_component_name entity_1 _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 2 2 GLY HA2 H 4.053 0.02 1 2 2 2 GLY HA3 H 4.053 0.02 1 3 2 2 GLY CA C 45.371 0.3 1 4 3 3 SER H H 8.48 0.02 1 5 3 3 SER HA H 4.437 0.02 1 6 3 3 SER HB2 H 3.849 0.02 2 7 3 3 SER HB3 H 3.818 0.02 2 8 3 3 SER CA C 58.465 0.3 1 9 3 3 SER CB C 63.784 0.3 1 10 3 3 SER N N 116.078 0.3 1 11 16 16 VAL H H 7.48 0.02 1 12 16 16 VAL HA H 4.323 0.02 1 13 16 16 VAL HB H 1.773 0.02 1 14 16 16 VAL HG1 H 0.834 0.02 2 15 16 16 VAL HG2 H 0.765 0.02 2 16 16 16 VAL CA C 61.411 0.3 1 17 16 16 VAL CB C 33.847 0.3 1 18 16 16 VAL CG1 C 20.981 0.3 1 19 16 16 VAL CG2 C 20.778 0.3 1 20 16 16 VAL N N 121.886 0.3 1 stop_ save_ save_assigned_chemical_shifts_1_2 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D HNCA' '3D CBCA(CO)NH' '3D HBHA(CO)NH' '3D HCCH-TOCSY' '3D 1H-15N NOESY' '3D 1H-13C NOESY aliphatic' '3D 1H-13C NOESY aromatic' '3D C(CO)NH' '3D H(CCO)NH' stop_ loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chem_shift_reference_1 _Mol_system_component_name entity_2 _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 4 4 GLN H H 8.52 0.02 1 2 4 4 GLN HA H 4.256 0.02 1 3 4 4 GLN HB2 H 2.03 0.02 2 4 4 4 GLN HB3 H 1.923 0.02 2 5 4 4 GLN HG2 H 2.299 0.02 2 6 4 4 GLN HG3 H 2.259 0.02 2 7 4 4 GLN HE21 H 7.557 0.02 1 8 4 4 GLN HE22 H 6.861 0.02 1 9 4 4 GLN CA C 56.114 0.3 1 10 4 4 GLN CB C 29.23 0.3 1 11 4 4 GLN CG C 33.744 0.3 1 12 4 4 GLN N N 122.078 0.3 1 13 4 4 GLN NE2 N 112.601 0.3 1 14 5 5 HIS H H 8.291 0.02 1 15 5 5 HIS HA H 4.602 0.02 1 16 5 5 HIS HB2 H 3.134 0.02 2 17 5 5 HIS HB3 H 3.079 0.02 2 18 5 5 HIS HD2 H 7.07 0.02 1 19 5 5 HIS HE1 H 8.04 0.02 1 20 5 5 HIS CA C 55.937 0.3 1 21 5 5 HIS CB C 30.271 0.3 1 22 5 5 HIS CD2 C 119.61 0.3 1 23 5 5 HIS CE1 C 137.816 0.3 1 24 5 5 HIS N N 120.104 0.3 1 25 6 6 MET H H 8.359 0.02 1 26 6 6 MET HA H 4.444 0.02 1 27 6 6 MET HB2 H 2.055 0.02 2 28 6 6 MET HB3 H 1.945 0.02 2 29 6 6 MET HG2 H 2.534 0.02 2 30 6 6 MET HG3 H 2.448 0.02 2 31 6 6 MET HE H 2.079 0.02 1 32 6 6 MET CA C 55.227 0.3 1 33 6 6 MET CB C 32.973 0.3 1 34 6 6 MET CG C 31.885 0.3 1 35 6 6 MET CE C 16.9 0.3 1 36 6 6 MET N N 121.858 0.3 1 37 7 7 ARG H H 8.606 0.02 1 38 7 7 ARG HA H 4.545 0.02 1 39 7 7 ARG HB2 H 1.921 0.02 2 40 7 7 ARG HB3 H 1.724 0.02 2 41 7 7 ARG HG2 H 1.551 0.02 2 42 7 7 ARG HG3 H 1.395 0.02 2 43 7 7 ARG HD2 H 2.641 0.02 2 44 7 7 ARG HD3 H 2.621 0.02 2 45 7 7 ARG HE H 9.273 0.02 1 46 7 7 ARG HH11 H 6.225 0.02 1 47 7 7 ARG HH12 H 6.225 0.02 1 48 7 7 ARG CA C 55.274 0.3 1 49 7 7 ARG CB C 30.23 0.3 1 50 7 7 ARG CG C 28.041 0.3 1 51 7 7 ARG CD C 43.573 0.3 1 52 7 7 ARG N N 123.476 0.3 1 53 7 7 ARG NE N 85.154 0.3 1 54 7 7 ARG NH1 N 70.8 0.3 1 55 8 8 PRO HA H 4.586 0.02 1 56 8 8 PRO HB2 H 2.561 0.02 2 57 8 8 PRO HB3 H 2.327 0.02 2 58 8 8 PRO HG2 H 2.22 0.02 2 59 8 8 PRO HG3 H 2.115 0.02 2 60 8 8 PRO HD2 H 3.958 0.02 2 61 8 8 PRO HD3 H 3.835 0.02 2 62 8 8 PRO CA C 63.33 0.3 1 63 8 8 PRO CB C 33.165 0.3 1 64 8 8 PRO CG C 27.783 0.3 1 65 8 8 PRO CD C 50.909 0.3 1 66 9 9 ARG H H 8.302 0.02 1 67 9 9 ARG HA H 4.836 0.02 1 68 9 9 ARG HB2 H 1.871 0.02 2 69 9 9 ARG HB3 H 1.61 0.02 2 70 9 9 ARG HG2 H 1.702 0.02 2 71 9 9 ARG HG3 H 1.625 0.02 2 72 9 9 ARG HD2 H 3.271 0.02 1 73 9 9 ARG HD3 H 3.271 0.02 1 74 9 9 ARG HE H 7.718 0.02 1 75 9 9 ARG CA C 52.071 0.3 1 76 9 9 ARG CB C 31.989 0.3 1 77 9 9 ARG CG C 26.317 0.3 1 78 9 9 ARG CD C 41.428 0.3 1 79 9 9 ARG N N 118.123 0.3 1 80 9 9 ARG NE N 84.121 0.3 1 81 10 10 PHE H H 8.083 0.02 1 82 10 10 PHE HA H 1.33 0.02 1 83 10 10 PHE HB2 H 2.214 0.02 2 84 10 10 PHE HB3 H 1.679 0.02 2 85 10 10 PHE HD1 H 6.755 0.02 1 86 10 10 PHE HD2 H 6.755 0.02 1 87 10 10 PHE HE1 H 7.052 0.02 1 88 10 10 PHE HE2 H 7.052 0.02 1 89 10 10 PHE CA C 58.025 0.3 1 90 10 10 PHE CB C 38.7 0.3 1 91 10 10 PHE CD1 C 131.921 0.3 1 92 10 10 PHE CD2 C 131.921 0.3 1 93 10 10 PHE CE1 C 130.6 0.3 1 94 10 10 PHE CE2 C 130.6 0.3 1 95 10 10 PHE N N 120.188 0.3 1 96 11 11 ASN H H 5.565 0.02 1 97 11 11 ASN HA H 4.046 0.02 1 98 11 11 ASN HB2 H 2.857 0.02 2 99 11 11 ASN HB3 H 2.669 0.02 2 100 11 11 ASN HD21 H 7.526 0.02 1 101 11 11 ASN HD22 H 7.059 0.02 1 102 11 11 ASN CA C 51.582 0.3 1 103 11 11 ASN CB C 40.119 0.3 1 104 11 11 ASN N N 125.581 0.3 1 105 11 11 ASN ND2 N 112.605 0.3 1 106 12 12 ARG H H 8.456 0.02 1 107 12 12 ARG HA H 3.609 0.02 1 108 12 12 ARG HB2 H 1.717 0.02 1 109 12 12 ARG HB3 H 1.717 0.02 1 110 12 12 ARG HG2 H 1.507 0.02 2 111 12 12 ARG HG3 H 1.418 0.02 2 112 12 12 ARG HD2 H 3.219 0.02 1 113 12 12 ARG HD3 H 3.219 0.02 1 114 12 12 ARG HE H 8.136 0.02 1 115 12 12 ARG CA C 58.49 0.3 1 116 12 12 ARG CB C 29.838 0.3 1 117 12 12 ARG CG C 28.302 0.3 1 118 12 12 ARG CD C 43.07 0.3 1 119 12 12 ARG N N 122.797 0.3 1 120 12 12 ARG NE N 85.484 0.3 1 121 13 13 GLU H H 8.199 0.02 1 122 13 13 GLU HA H 4.162 0.02 1 123 13 13 GLU HB2 H 2.076 0.02 2 124 13 13 GLU HB3 H 1.868 0.02 2 125 13 13 GLU HG2 H 2.284 0.02 2 126 13 13 GLU HG3 H 2.23 0.02 2 127 13 13 GLU CA C 57.813 0.3 1 128 13 13 GLU CB C 29.288 0.3 1 129 13 13 GLU CG C 36.719 0.3 1 130 13 13 GLU N N 117.269 0.3 1 131 14 14 ASN H H 7.784 0.02 1 132 14 14 ASN HA H 5.066 0.02 1 133 14 14 ASN HB2 H 3.103 0.02 2 134 14 14 ASN HB3 H 2.738 0.02 2 135 14 14 ASN HD21 H 7.516 0.02 1 136 14 14 ASN HD22 H 6.828 0.02 1 137 14 14 ASN CA C 51.88 0.3 1 138 14 14 ASN CB C 39.329 0.3 1 139 14 14 ASN N N 117.164 0.3 1 140 14 14 ASN ND2 N 110.635 0.3 1 141 15 15 LYS H H 7.38 0.02 1 142 15 15 LYS HA H 4.457 0.02 1 143 15 15 LYS HB2 H 1.792 0.02 2 144 15 15 LYS HB3 H 1.71 0.02 2 145 15 15 LYS HG2 H 1.666 0.02 2 146 15 15 LYS HG3 H 1.536 0.02 2 147 15 15 LYS HD2 H 1.978 0.02 2 148 15 15 LYS HD3 H 1.917 0.02 2 149 15 15 LYS HE2 H 3.188 0.02 1 150 15 15 LYS HE3 H 3.188 0.02 1 151 15 15 LYS CA C 56.305 0.3 1 152 15 15 LYS CB C 34.456 0.3 1 153 15 15 LYS CG C 24.048 0.3 1 154 15 15 LYS CD C 30.508 0.3 1 155 15 15 LYS CE C 41.571 0.3 1 156 15 15 LYS N N 116.437 0.3 1 157 17 17 SER H H 9.238 0.02 1 158 17 17 SER HA H 4.888 0.02 1 159 17 17 SER HB2 H 4.059 0.02 2 160 17 17 SER HB3 H 3.947 0.02 2 161 17 17 SER CA C 55.544 0.3 1 162 17 17 SER CB C 63.448 0.3 1 163 17 17 SER N N 125.096 0.3 1 164 18 18 PRO HA H 3.721 0.02 1 165 18 18 PRO HB2 H 1.335 0.02 2 166 18 18 PRO HB3 H 1.177 0.02 2 167 18 18 PRO HG2 H 1.521 0.02 2 168 18 18 PRO HG3 H 1.436 0.02 2 169 18 18 PRO HD2 H 3.979 0.02 1 170 18 18 PRO HD3 H 3.979 0.02 1 171 18 18 PRO CA C 65.588 0.3 1 172 18 18 PRO CB C 31.737 0.3 1 173 18 18 PRO CG C 27.293 0.3 1 174 18 18 PRO CD C 50.434 0.3 1 175 19 19 ALA H H 8.069 0.02 1 176 19 19 ALA HA H 4.165 0.02 1 177 19 19 ALA HB H 1.454 0.02 1 178 19 19 ALA CA C 54.969 0.3 1 179 19 19 ALA CB C 18.492 0.3 1 180 19 19 ALA N N 116.669 0.3 1 181 20 20 ASP H H 7.316 0.02 1 182 20 20 ASP HA H 4.384 0.02 1 183 20 20 ASP HB2 H 2.821 0.02 2 184 20 20 ASP HB3 H 2.699 0.02 2 185 20 20 ASP CA C 56.666 0.3 1 186 20 20 ASP CB C 40.634 0.3 1 187 20 20 ASP N N 118.091 0.3 1 188 21 21 ALA H H 8.22 0.02 1 189 21 21 ALA HA H 4.037 0.02 1 190 21 21 ALA HB H 1.195 0.02 1 191 21 21 ALA CA C 54.894 0.3 1 192 21 21 ALA CB C 17.464 0.3 1 193 21 21 ALA N N 123.215 0.3 1 194 22 22 ALA H H 8.551 0.02 1 195 22 22 ALA HA H 3.595 0.02 1 196 22 22 ALA HB H 1.111 0.02 1 197 22 22 ALA CA C 55.315 0.3 1 198 22 22 ALA CB C 18.124 0.3 1 199 22 22 ALA N N 119.138 0.3 1 200 23 23 LYS H H 7.267 0.02 1 201 23 23 LYS HA H 4.006 0.02 1 202 23 23 LYS HB2 H 1.936 0.02 1 203 23 23 LYS HB3 H 1.936 0.02 1 204 23 23 LYS HG2 H 1.581 0.02 2 205 23 23 LYS HG3 H 1.468 0.02 2 206 23 23 LYS HD2 H 1.719 0.02 1 207 23 23 LYS HD3 H 1.719 0.02 1 208 23 23 LYS HE2 H 2.984 0.02 1 209 23 23 LYS HE3 H 2.984 0.02 1 210 23 23 LYS CA C 58.896 0.3 1 211 23 23 LYS CB C 32.333 0.3 1 212 23 23 LYS CG C 25.027 0.3 1 213 23 23 LYS CD C 29.37 0.3 1 214 23 23 LYS CE C 42.105 0.3 1 215 23 23 LYS N N 116.516 0.3 1 216 24 24 LYS H H 7.19 0.02 1 217 24 24 LYS HA H 4.125 0.02 1 218 24 24 LYS HB2 H 1.75 0.02 1 219 24 24 LYS HB3 H 1.75 0.02 1 220 24 24 LYS HG2 H 1.549 0.02 2 221 24 24 LYS HG3 H 1.415 0.02 2 222 24 24 LYS HD2 H 1.681 0.02 2 223 24 24 LYS HD3 H 1.645 0.02 2 224 24 24 LYS HE2 H 2.906 0.02 1 225 24 24 LYS HE3 H 2.906 0.02 1 226 24 24 LYS CA C 57.728 0.3 1 227 24 24 LYS CB C 33.568 0.3 1 228 24 24 LYS CG C 25.538 0.3 1 229 24 24 LYS CD C 29.402 0.3 1 230 24 24 LYS CE C 41.957 0.3 1 231 24 24 LYS N N 116.437 0.3 1 232 25 25 ALA H H 7.697 0.02 1 233 25 25 ALA HA H 4.021 0.02 1 234 25 25 ALA HB H 1.086 0.02 1 235 25 25 ALA CA C 53.355 0.3 1 236 25 25 ALA CB C 20.942 0.3 1 237 25 25 ALA N N 119.756 0.3 1 238 26 26 LEU H H 7.225 0.02 1 239 26 26 LEU HA H 4.019 0.02 1 240 26 26 LEU HB2 H 1.621 0.02 2 241 26 26 LEU HB3 H 1.492 0.02 2 242 26 26 LEU HG H 1.54 0.02 1 243 26 26 LEU HD1 H 0.763 0.02 2 244 26 26 LEU HD2 H 0.707 0.02 2 245 26 26 LEU CA C 57.19 0.3 1 246 26 26 LEU CB C 42.768 0.3 1 247 26 26 LEU CG C 27.13 0.3 1 248 26 26 LEU CD1 C 25.667 0.3 1 249 26 26 LEU CD2 C 22.89 0.3 1 250 26 26 LEU N N 122.944 0.3 1 stop_ save_ save_assigned_chemical_shifts_2 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D HNCA' '3D CBCA(CO)NH' '3D HBHA(CO)NH' '3D HCCH-TOCSY' '3D 1H-15N NOESY' '3D 1H-13C NOESY aliphatic' '3D 1H-13C NOESY aromatic' '3D C(CO)NH' '3D H(CCO)NH' stop_ loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chem_shift_reference_1 _Mol_system_component_name entity_1 _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 2 2 GLY HA2 H 4.042 0.02 1 2 2 2 GLY HA3 H 4.042 0.02 1 3 2 2 GLY CA C 45.276 0.3 1 4 3 3 SER H H 8.411 0.02 1 5 3 3 SER HA H 4.435 0.02 1 6 3 3 SER HB2 H 3.813 0.02 1 7 3 3 SER HB3 H 3.813 0.02 1 8 3 3 SER CA C 58.382 0.3 1 9 3 3 SER CB C 63.827 0.3 1 10 3 3 SER N N 115.801 0.3 1 11 4 4 HIS H H 8.547 0.02 1 12 4 4 HIS HA H 4.642 0.02 1 13 4 4 HIS HB2 H 3.177 0.02 2 14 4 4 HIS HB3 H 3.105 0.02 2 15 4 4 HIS HD2 H 7.084 0.02 1 16 4 4 HIS CA C 56.236 0.3 1 17 4 4 HIS CB C 30.083 0.3 1 18 4 4 HIS CD2 C 119.841 0.3 1 19 4 4 HIS N N 121.16 0.3 1 20 5 5 MET H H 8.381 0.02 1 21 5 5 MET HA H 4.467 0.02 1 22 5 5 MET HB2 H 2.069 0.02 2 23 5 5 MET HB3 H 1.955 0.02 2 24 5 5 MET HG2 H 2.512 0.02 2 25 5 5 MET HG3 H 2.429 0.02 2 26 5 5 MET HE H 2.053 0.02 1 27 5 5 MET CA C 55.568 0.3 1 28 5 5 MET CB C 32.869 0.3 1 29 5 5 MET CG C 31.975 0.3 1 30 5 5 MET CE C 16.905 0.3 1 31 5 5 MET N N 121.575 0.3 1 32 6 6 SER H H 8.438 0.02 1 33 6 6 SER HA H 4.505 0.02 1 34 6 6 SER HB2 H 3.93 0.02 2 35 6 6 SER HB3 H 3.874 0.02 2 36 6 6 SER HG H 4.814 0.02 1 37 6 6 SER CA C 58.444 0.3 1 38 6 6 SER CB C 63.829 0.3 1 39 6 6 SER N N 117.001 0.3 1 40 7 7 THR H H 8.226 0.02 1 41 7 7 THR HA H 4.295 0.02 1 42 7 7 THR HB H 4.217 0.02 1 43 7 7 THR HG2 H 1.147 0.02 1 44 7 7 THR CA C 62.119 0.3 1 45 7 7 THR CB C 69.535 0.3 1 46 7 7 THR CG2 C 21.671 0.3 1 47 7 7 THR N N 115.814 0.3 1 48 8 8 GLN H H 8.278 0.02 1 49 8 8 GLN HA H 4.258 0.02 1 50 8 8 GLN HB2 H 1.933 0.02 2 51 8 8 GLN HB3 H 1.868 0.02 2 52 8 8 GLN HG2 H 2.174 0.02 1 53 8 8 GLN HG3 H 2.174 0.02 1 54 8 8 GLN HE21 H 7.498 0.02 1 55 8 8 GLN HE22 H 6.863 0.02 1 56 8 8 GLN CA C 55.992 0.3 1 57 8 8 GLN CB C 29.629 0.3 1 58 8 8 GLN CG C 33.653 0.3 1 59 8 8 GLN N N 122.122 0.3 1 60 8 8 GLN NE2 N 112.607 0.3 1 61 9 9 TYR H H 8.251 0.02 1 62 9 9 TYR HA H 4.56 0.02 1 63 9 9 TYR HB2 H 2.996 0.02 2 64 9 9 TYR HB3 H 2.912 0.02 2 65 9 9 TYR HD1 H 7.072 0.02 1 66 9 9 TYR HD2 H 7.072 0.02 1 67 9 9 TYR HE1 H 6.783 0.02 1 68 9 9 TYR HE2 H 6.783 0.02 1 69 9 9 TYR CA C 58.022 0.3 1 70 9 9 TYR CB C 38.746 0.3 1 71 9 9 TYR CD1 C 133.115 0.3 1 72 9 9 TYR CD2 C 133.115 0.3 1 73 9 9 TYR CE1 C 118.213 0.3 1 74 9 9 TYR CE2 C 118.213 0.3 1 75 9 9 TYR N N 121.374 0.3 1 76 10 10 ILE H H 7.982 0.02 1 77 10 10 ILE HA H 4.101 0.02 1 78 10 10 ILE HB H 1.778 0.02 1 79 10 10 ILE HG12 H 1.378 0.02 2 80 10 10 ILE HG13 H 1.074 0.02 2 81 10 10 ILE HG2 H 0.796 0.02 1 82 10 10 ILE HD1 H 0.784 0.02 1 83 10 10 ILE CA C 60.761 0.3 1 84 10 10 ILE CB C 39.24 0.3 1 85 10 10 ILE CG1 C 27.111 0.3 1 86 10 10 ILE CG2 C 17.5 0.3 1 87 10 10 ILE CD1 C 13.015 0.3 1 88 10 10 ILE N N 122.385 0.3 1 89 11 11 ASP H H 8.244 0.02 1 90 11 11 ASP HA H 4.579 0.02 1 91 11 11 ASP HB2 H 2.793 0.02 2 92 11 11 ASP HB3 H 2.643 0.02 2 93 11 11 ASP CA C 53.906 0.3 1 94 11 11 ASP CB C 41.055 0.3 1 95 11 11 ASP N N 123.96 0.3 1 96 12 12 GLU H H 8.693 0.02 1 97 12 12 GLU HA H 4.167 0.02 1 98 12 12 GLU HB2 H 2.111 0.02 2 99 12 12 GLU HB3 H 2.01 0.02 2 100 12 12 GLU HG2 H 2.303 0.02 2 101 12 12 GLU HG3 H 2.225 0.02 2 102 12 12 GLU CA C 57.478 0.3 1 103 12 12 GLU CB C 29.718 0.3 1 104 12 12 GLU CG C 36.259 0.3 1 105 12 12 GLU N N 121.771 0.3 1 106 13 13 THR H H 8.307 0.02 1 107 13 13 THR HA H 4.406 0.02 1 108 13 13 THR HB H 4.327 0.02 1 109 13 13 THR HG2 H 1.234 0.02 1 110 13 13 THR CA C 62.048 0.3 1 111 13 13 THR CB C 69.696 0.3 1 112 13 13 THR CG2 C 21.818 0.3 1 113 13 13 THR N N 112.486 0.3 1 114 14 14 ALA H H 7.97 0.02 1 115 14 14 ALA HA H 4.38 0.02 1 116 14 14 ALA HB H 1.412 0.02 1 117 14 14 ALA CA C 52.459 0.3 1 118 14 14 ALA CB C 19.165 0.3 1 119 14 14 ALA N N 126.472 0.3 1 120 15 15 PHE H H 7.915 0.02 1 121 15 15 PHE HA H 5.283 0.02 1 122 15 15 PHE HB2 H 3.133 0.02 2 123 15 15 PHE HB3 H 2.803 0.02 2 124 15 15 PHE HD1 H 7.04 0.02 1 125 15 15 PHE HD2 H 7.04 0.02 1 126 15 15 PHE HE1 H 7.274 0.02 1 127 15 15 PHE HE2 H 7.274 0.02 1 128 15 15 PHE HZ H 7.268 0.02 1 129 15 15 PHE CA C 56.338 0.3 1 130 15 15 PHE CB C 42.348 0.3 1 131 15 15 PHE CD1 C 132.03 0.3 1 132 15 15 PHE CD2 C 132.03 0.3 1 133 15 15 PHE CE1 C 131.244 0.3 1 134 15 15 PHE CE2 C 131.244 0.3 1 135 15 15 PHE CZ C 130.028 0.3 1 136 15 15 PHE N N 117.13 0.3 1 137 16 16 VAL H H 8.57 0.02 1 138 16 16 VAL HA H 4.289 0.02 1 139 16 16 VAL HB H 1.705 0.02 1 140 16 16 VAL HG1 H 0.774 0.02 2 141 16 16 VAL HG2 H 0.538 0.02 2 142 16 16 VAL CA C 60.089 0.3 1 143 16 16 VAL CB C 34.63 0.3 1 144 16 16 VAL CG1 C 22.897 0.3 1 145 16 16 VAL CG2 C 20.036 0.3 1 146 16 16 VAL N N 116.43 0.3 1 147 17 17 GLN H H 8.486 0.02 1 148 17 17 GLN HA H 5.242 0.02 1 149 17 17 GLN HB2 H 2.074 0.02 2 150 17 17 GLN HB3 H 1.962 0.02 2 151 17 17 GLN HG2 H 2.438 0.02 2 152 17 17 GLN HG3 H 2.233 0.02 2 153 17 17 GLN HE21 H 7.602 0.02 1 154 17 17 GLN HE22 H 6.813 0.02 1 155 17 17 GLN CA C 53.359 0.3 1 156 17 17 GLN CB C 32.891 0.3 1 157 17 17 GLN CG C 33.342 0.3 1 158 17 17 GLN N N 121.168 0.3 1 159 17 17 GLN NE2 N 111.665 0.3 1 160 18 18 ALA H H 8.776 0.02 1 161 18 18 ALA HA H 4.142 0.02 1 162 18 18 ALA HB H 1.191 0.02 1 163 18 18 ALA CA C 52.226 0.3 1 164 18 18 ALA CB C 19.559 0.3 1 165 18 18 ALA N N 127.712 0.3 1 166 19 19 GLU H H 8.754 0.02 1 167 19 19 GLU HA H 4.209 0.02 1 168 19 19 GLU HB2 H 2.2 0.02 2 169 19 19 GLU HB3 H 2.021 0.02 2 170 19 19 GLU HG2 H 2.537 0.02 2 171 19 19 GLU HG3 H 2.469 0.02 2 172 19 19 GLU CA C 56.296 0.3 1 173 19 19 GLU CB C 31.269 0.3 1 174 19 19 GLU CG C 37.011 0.3 1 175 19 19 GLU N N 121.785 0.3 1 176 20 20 GLN H H 8.667 0.02 1 177 20 20 GLN HA H 4.056 0.02 1 178 20 20 GLN HB2 H 2.111 0.02 2 179 20 20 GLN HB3 H 2.078 0.02 2 180 20 20 GLN HG2 H 2.441 0.02 1 181 20 20 GLN HG3 H 2.441 0.02 1 182 20 20 GLN HE21 H 7.657 0.02 1 183 20 20 GLN HE22 H 6.906 0.02 1 184 20 20 GLN CA C 57.877 0.3 1 185 20 20 GLN CB C 28.331 0.3 1 186 20 20 GLN CG C 33.605 0.3 1 187 20 20 GLN N N 120.932 0.3 1 188 20 20 GLN NE2 N 112.566 0.3 1 189 21 21 GLY H H 8.833 0.02 1 190 21 21 GLY HA2 H 4.276 0.02 2 191 21 21 GLY HA3 H 3.686 0.02 2 192 21 21 GLY CA C 45.125 0.3 1 193 21 21 GLY N N 113.012 0.3 1 194 22 22 LYS H H 8.049 0.02 1 195 22 22 LYS HA H 4.696 0.02 1 196 22 22 LYS HB2 H 2.159 0.02 2 197 22 22 LYS HB3 H 2.074 0.02 2 198 22 22 LYS HG2 H 1.631 0.02 2 199 22 22 LYS HG3 H 1.416 0.02 2 200 22 22 LYS HD2 H 1.821 0.02 2 201 22 22 LYS HD3 H 1.798 0.02 2 202 22 22 LYS HE2 H 3.105 0.02 1 203 22 22 LYS HE3 H 3.105 0.02 1 204 22 22 LYS CA C 54.926 0.3 1 205 22 22 LYS CB C 33.536 0.3 1 206 22 22 LYS CG C 25.332 0.3 1 207 22 22 LYS CD C 28.481 0.3 1 208 22 22 LYS CE C 42.414 0.3 1 209 22 22 LYS N N 120.29 0.3 1 210 23 23 THR H H 8.802 0.02 1 211 23 23 THR HA H 4.18 0.02 1 212 23 23 THR HB H 4.358 0.02 1 213 23 23 THR HG2 H 1.177 0.02 1 214 23 23 THR CA C 62.311 0.3 1 215 23 23 THR CB C 69.232 0.3 1 216 23 23 THR CG2 C 21.828 0.3 1 217 23 23 THR N N 111.087 0.3 1 218 24 24 ASN H H 7.541 0.02 1 219 24 24 ASN HA H 4.544 0.02 1 220 24 24 ASN HB2 H 2.743 0.02 2 221 24 24 ASN HB3 H 2.7 0.02 2 222 24 24 ASN HD21 H 7.513 0.02 1 223 24 24 ASN HD22 H 6.82 0.02 1 224 24 24 ASN CA C 52.608 0.3 1 225 24 24 ASN CB C 39.394 0.3 1 226 24 24 ASN N N 113.799 0.3 1 227 24 24 ASN ND2 N 116.019 0.3 1 228 25 25 LEU H H 7.704 0.02 1 229 25 25 LEU HA H 4.281 0.02 1 230 25 25 LEU HB2 H 2.047 0.02 2 231 25 25 LEU HB3 H 1.726 0.02 2 232 25 25 LEU HG H 1.301 0.02 1 233 25 25 LEU HD1 H 0.5 0.02 2 234 25 25 LEU HD2 H 0.407 0.02 2 235 25 25 LEU CA C 55.369 0.3 1 236 25 25 LEU CB C 43.331 0.3 1 237 25 25 LEU CG C 28.353 0.3 1 238 25 25 LEU CD1 C 23.409 0.3 1 239 25 25 LEU CD2 C 27.524 0.3 1 240 25 25 LEU N N 118.229 0.3 1 241 26 26 MET H H 8.228 0.02 1 242 26 26 MET HA H 4.062 0.02 1 243 26 26 MET HB2 H 2.014 0.02 2 244 26 26 MET HB3 H 1.757 0.02 2 245 26 26 MET HG2 H 2.612 0.02 2 246 26 26 MET HG3 H 2.389 0.02 2 247 26 26 MET HE H 2.126 0.02 1 248 26 26 MET CA C 56.986 0.3 1 249 26 26 MET CB C 33.709 0.3 1 250 26 26 MET CG C 32.037 0.3 1 251 26 26 MET CE C 17.436 0.3 1 252 26 26 MET N N 123.009 0.3 1 253 27 27 PHE H H 8.201 0.02 1 254 27 27 PHE HA H 4.693 0.02 1 255 27 27 PHE HB2 H 3.288 0.02 2 256 27 27 PHE HB3 H 2.985 0.02 2 257 27 27 PHE HD1 H 7.175 0.02 1 258 27 27 PHE HD2 H 7.175 0.02 1 259 27 27 PHE HE1 H 6.567 0.02 1 260 27 27 PHE HE2 H 6.567 0.02 1 261 27 27 PHE HZ H 5.948 0.02 1 262 27 27 PHE CA C 59.106 0.3 1 263 27 27 PHE CB C 38.438 0.3 1 264 27 27 PHE CD1 C 131.233 0.3 1 265 27 27 PHE CD2 C 131.233 0.3 1 266 27 27 PHE CE1 C 130.267 0.3 1 267 27 27 PHE CE2 C 130.267 0.3 1 268 27 27 PHE CZ C 130.181 0.3 1 269 27 27 PHE N N 125.576 0.3 1 270 28 28 SER H H 8.987 0.02 1 271 28 28 SER HA H 4.327 0.02 1 272 28 28 SER HB2 H 3.99 0.02 1 273 28 28 SER HB3 H 3.99 0.02 1 274 28 28 SER CA C 59.77 0.3 1 275 28 28 SER CB C 63.516 0.3 1 276 28 28 SER N N 117.522 0.3 1 277 29 29 ASP H H 7.395 0.02 1 278 29 29 ASP HA H 4.792 0.02 1 279 29 29 ASP HB2 H 3.071 0.02 2 280 29 29 ASP HB3 H 2.608 0.02 2 281 29 29 ASP CA C 53.266 0.3 1 282 29 29 ASP CB C 42.896 0.3 1 283 29 29 ASP N N 121.92 0.3 1 284 30 30 GLU H H 9.075 0.02 1 285 30 30 GLU HA H 4.062 0.02 1 286 30 30 GLU HB2 H 2.071 0.02 1 287 30 30 GLU HB3 H 2.071 0.02 1 288 30 30 GLU HG2 H 2.396 0.02 2 289 30 30 GLU HG3 H 2.306 0.02 2 290 30 30 GLU CA C 59.82 0.3 1 291 30 30 GLU CB C 29.812 0.3 1 292 30 30 GLU CG C 36.6 0.3 1 293 30 30 GLU N N 126.837 0.3 1 294 31 31 LYS H H 8.234 0.02 1 295 31 31 LYS HA H 4.051 0.02 1 296 31 31 LYS HB2 H 1.91 0.02 2 297 31 31 LYS HB3 H 1.674 0.02 2 298 31 31 LYS HG2 H 1.211 0.02 1 299 31 31 LYS HG3 H 1.211 0.02 1 300 31 31 LYS HD2 H 1.633 0.02 2 301 31 31 LYS HD3 H 1.574 0.02 2 302 31 31 LYS HE2 H 2.904 0.02 1 303 31 31 LYS HE3 H 2.904 0.02 1 304 31 31 LYS CA C 59.113 0.3 1 305 31 31 LYS CB C 31.432 0.3 1 306 31 31 LYS CG C 25.228 0.3 1 307 31 31 LYS CD C 28.68 0.3 1 308 31 31 LYS CE C 42.001 0.3 1 309 31 31 LYS N N 121.417 0.3 1 310 32 32 GLN H H 7.953 0.02 1 311 32 32 GLN HA H 3.754 0.02 1 312 32 32 GLN HB2 H 2.348 0.02 2 313 32 32 GLN HB3 H 1.611 0.02 2 314 32 32 GLN HG2 H 2.175 0.02 1 315 32 32 GLN HG3 H 2.175 0.02 1 316 32 32 GLN HE21 H 6.946 0.02 1 317 32 32 GLN HE22 H 6.879 0.02 1 318 32 32 GLN CA C 58.967 0.3 1 319 32 32 GLN CB C 29.917 0.3 1 320 32 32 GLN CG C 32.032 0.3 1 321 32 32 GLN N N 123.922 0.3 1 322 32 32 GLN NE2 N 115.308 0.3 1 323 33 33 GLN H H 8.447 0.02 1 324 33 33 GLN HA H 4.381 0.02 1 325 33 33 GLN HB2 H 2.632 0.02 2 326 33 33 GLN HB3 H 1.947 0.02 2 327 33 33 GLN HG2 H 2.617 0.02 2 328 33 33 GLN HG3 H 2.405 0.02 2 329 33 33 GLN HE21 H 9.192 0.02 1 330 33 33 GLN HE22 H 7.029 0.02 1 331 33 33 GLN CA C 58.45 0.3 1 332 33 33 GLN CB C 26.955 0.3 1 333 33 33 GLN CG C 32.082 0.3 1 334 33 33 GLN N N 117.043 0.3 1 335 33 33 GLN NE2 N 110.654 0.3 1 336 34 34 ALA H H 8.041 0.02 1 337 34 34 ALA HA H 4.095 0.02 1 338 34 34 ALA HB H 1.42 0.02 1 339 34 34 ALA CA C 55.192 0.3 1 340 34 34 ALA CB C 18.415 0.3 1 341 34 34 ALA N N 120.73 0.3 1 342 35 35 ARG H H 8.285 0.02 1 343 35 35 ARG HA H 3.567 0.02 1 344 35 35 ARG HB2 H 1.373 0.02 2 345 35 35 ARG HB3 H 1.242 0.02 2 346 35 35 ARG HD2 H 4.848 0.02 2 347 35 35 ARG HD3 H 4.028 0.02 2 348 35 35 ARG HE H 7.076 0.02 1 349 35 35 ARG CA C 59.864 0.3 1 350 35 35 ARG CB C 29.589 0.3 1 351 35 35 ARG CG C 26.195 0.3 1 352 35 35 ARG CD C 42.906 0.3 1 353 35 35 ARG N N 119.025 0.3 1 354 35 35 ARG NE N 85.471 0.3 1 355 36 36 PHE H H 8.048 0.02 1 356 36 36 PHE HA H 4.448 0.02 1 357 36 36 PHE HB2 H 3.418 0.02 2 358 36 36 PHE HB3 H 3.319 0.02 2 359 36 36 PHE HD1 H 7.203 0.02 1 360 36 36 PHE HD2 H 7.203 0.02 1 361 36 36 PHE HE1 H 6.951 0.02 1 362 36 36 PHE HE2 H 6.951 0.02 1 363 36 36 PHE HZ H 7.306 0.02 1 364 36 36 PHE CA C 61.493 0.3 1 365 36 36 PHE CB C 38.45 0.3 1 366 36 36 PHE CD1 C 132.224 0.3 1 367 36 36 PHE CD2 C 132.224 0.3 1 368 36 36 PHE CE1 C 129.943 0.3 1 369 36 36 PHE CE2 C 129.943 0.3 1 370 36 36 PHE CZ C 130.904 0.3 1 371 36 36 PHE N N 120.301 0.3 1 372 37 37 GLU H H 8.407 0.02 1 373 37 37 GLU HA H 3.185 0.02 1 374 37 37 GLU HB2 H 2 0.02 2 375 37 37 GLU HB3 H 1.863 0.02 2 376 37 37 GLU HG2 H 3.009 0.02 2 377 37 37 GLU HG3 H 2.072 0.02 2 378 37 37 GLU CA C 60.627 0.3 1 379 37 37 GLU CB C 28.68 0.3 1 380 37 37 GLU CG C 37.444 0.3 1 381 37 37 GLU N N 119.043 0.3 1 382 38 38 LEU H H 8.108 0.02 1 383 38 38 LEU HA H 3.687 0.02 1 384 38 38 LEU HB2 H 1.737 0.02 2 385 38 38 LEU HB3 H 0.935 0.02 2 386 38 38 LEU HG H 1.099 0.02 1 387 38 38 LEU HD1 H 0.235 0.02 2 388 38 38 LEU HD2 H 0.536 0.02 2 389 38 38 LEU CA C 57.157 0.3 1 390 38 38 LEU CB C 41.508 0.3 1 391 38 38 LEU CG C 26.75 0.3 1 392 38 38 LEU CD1 C 25.397 0.3 1 393 38 38 LEU CD2 C 22.392 0.3 1 394 38 38 LEU N N 117.397 0.3 1 395 39 39 GLY H H 8.425 0.02 1 396 39 39 GLY HA2 H 3.552 0.02 2 397 39 39 GLY HA3 H 3.399 0.02 2 398 39 39 GLY CA C 48.782 0.3 1 399 39 39 GLY N N 107.725 0.3 1 400 40 40 VAL H H 8.6 0.02 1 401 40 40 VAL HA H 3.171 0.02 1 402 40 40 VAL HB H 1.566 0.02 1 403 40 40 VAL HG1 H 0.124 0.02 2 404 40 40 VAL HG2 H 0.85 0.02 2 405 40 40 VAL CA C 67.831 0.3 1 406 40 40 VAL CB C 30.857 0.3 1 407 40 40 VAL CG1 C 24.429 0.3 1 408 40 40 VAL CG2 C 22.717 0.3 1 409 40 40 VAL N N 120.812 0.3 1 410 41 41 SER H H 7.864 0.02 1 411 41 41 SER HA H 4.203 0.02 1 412 41 41 SER HB2 H 3.926 0.02 2 413 41 41 SER HB3 H 3.832 0.02 2 414 41 41 SER CA C 61.702 0.3 1 415 41 41 SER CB C 63.23 0.3 1 416 41 41 SER N N 112.746 0.3 1 417 42 42 MET H H 8.256 0.02 1 418 42 42 MET HA H 4.237 0.02 1 419 42 42 MET HB2 H 1.702 0.02 1 420 42 42 MET HB3 H 1.702 0.02 1 421 42 42 MET HG2 H 2.713 0.02 2 422 42 42 MET HG3 H 2.429 0.02 2 423 42 42 MET HE H 0.766 0.02 1 424 42 42 MET CA C 56.703 0.3 1 425 42 42 MET CB C 37.034 0.3 1 426 42 42 MET CG C 31.769 0.3 1 427 42 42 MET CE C 19.544 0.3 1 428 42 42 MET N N 114.876 0.3 1 429 43 43 VAL H H 8.139 0.02 1 430 43 43 VAL HA H 3.607 0.02 1 431 43 43 VAL HB H 2.149 0.02 1 432 43 43 VAL HG1 H 0.956 0.02 2 433 43 43 VAL HG2 H 1.024 0.02 2 434 43 43 VAL CA C 66.961 0.3 1 435 43 43 VAL CB C 31.485 0.3 1 436 43 43 VAL CG1 C 23.612 0.3 1 437 43 43 VAL CG2 C 23.782 0.3 1 438 43 43 VAL N N 120.938 0.3 1 439 44 44 ILE H H 8.59 0.02 1 440 44 44 ILE HA H 3.853 0.02 1 441 44 44 ILE HB H 2.52 0.02 1 442 44 44 ILE HG12 H 1.73 0.02 2 443 44 44 ILE HG13 H 1.353 0.02 2 444 44 44 ILE HG2 H 0.854 0.02 1 445 44 44 ILE HD1 H 0.642 0.02 1 446 44 44 ILE CA C 63.435 0.3 1 447 44 44 ILE CB C 35.166 0.3 1 448 44 44 ILE CG1 C 28.819 0.3 1 449 44 44 ILE CG2 C 18.219 0.3 1 450 44 44 ILE CD1 C 10.114 0.3 1 451 44 44 ILE N N 122.218 0.3 1 452 45 45 TYR H H 8.777 0.02 1 453 45 45 TYR HA H 4.183 0.02 1 454 45 45 TYR HB2 H 3.264 0.02 2 455 45 45 TYR HB3 H 3.15 0.02 2 456 45 45 TYR HD1 H 7.746 0.02 1 457 45 45 TYR HD2 H 7.746 0.02 1 458 45 45 TYR HE1 H 6.99 0.02 1 459 45 45 TYR HE2 H 6.99 0.02 1 460 45 45 TYR CA C 62.636 0.3 1 461 45 45 TYR CB C 38.393 0.3 1 462 45 45 TYR CD1 C 133.031 0.3 1 463 45 45 TYR CD2 C 133.031 0.3 1 464 45 45 TYR CE1 C 118.38 0.3 1 465 45 45 TYR CE2 C 118.38 0.3 1 466 45 45 TYR N N 119.969 0.3 1 467 46 46 LYS H H 7.833 0.02 1 468 46 46 LYS HA H 4.476 0.02 1 469 46 46 LYS HB2 H 2.188 0.02 2 470 46 46 LYS HB3 H 2.099 0.02 2 471 46 46 LYS HG2 H 1.902 0.02 2 472 46 46 LYS HG3 H 1.645 0.02 2 473 46 46 LYS HD2 H 1.781 0.02 2 474 46 46 LYS HD3 H 1.73 0.02 2 475 46 46 LYS HE2 H 3.032 0.02 1 476 46 46 LYS HE3 H 3.032 0.02 1 477 46 46 LYS CA C 56.832 0.3 1 478 46 46 LYS CB C 31.914 0.3 1 479 46 46 LYS CG C 24.845 0.3 1 480 46 46 LYS CD C 29.336 0.3 1 481 46 46 LYS CE C 41.519 0.3 1 482 46 46 LYS N N 118.849 0.3 1 483 47 47 TRP H H 7.65 0.02 1 484 47 47 TRP HA H 5.094 0.02 1 485 47 47 TRP HB2 H 3.803 0.02 2 486 47 47 TRP HB3 H 2.931 0.02 2 487 47 47 TRP HD1 H 7.56 0.02 1 488 47 47 TRP HE1 H 10.482 0.02 1 489 47 47 TRP HE3 H 7.44 0.02 1 490 47 47 TRP HZ2 H 7.221 0.02 1 491 47 47 TRP HZ3 H 6.927 0.02 1 492 47 47 TRP HH2 H 6.973 0.02 1 493 47 47 TRP CA C 54.629 0.3 1 494 47 47 TRP CB C 28.805 0.3 1 495 47 47 TRP CD1 C 124.881 0.3 1 496 47 47 TRP CE3 C 121.411 0.3 1 497 47 47 TRP CZ2 C 113.327 0.3 1 498 47 47 TRP CZ3 C 122.027 0.3 1 499 47 47 TRP CH2 C 124.651 0.3 1 500 47 47 TRP N N 120.411 0.3 1 501 47 47 TRP NE1 N 129.084 0.3 1 502 48 48 ASP H H 9.375 0.02 1 503 48 48 ASP HA H 4.354 0.02 1 504 48 48 ASP HB2 H 2.794 0.02 2 505 48 48 ASP HB3 H 2.715 0.02 2 506 48 48 ASP CA C 58.571 0.3 1 507 48 48 ASP CB C 40.545 0.3 1 508 48 48 ASP N N 135.657 0.3 1 509 49 49 ALA H H 7.9 0.02 1 510 49 49 ALA HA H 3.75 0.02 1 511 49 49 ALA HB H 0.814 0.02 1 512 49 49 ALA CA C 54.686 0.3 1 513 49 49 ALA CB C 17.754 0.3 1 514 49 49 ALA N N 120.156 0.3 1 515 50 50 LEU HA H 3.398 0.02 1 516 50 50 LEU HB2 H 1.491 0.02 2 517 50 50 LEU HB3 H 0.725 0.02 2 518 50 50 LEU HG H 0.997 0.02 1 519 50 50 LEU HD2 H 0.251 0.02 1 520 50 50 LEU CA C 55.553 0.3 1 521 50 50 LEU CB C 41.033 0.3 1 522 50 50 LEU CG C 27.83 0.3 1 523 50 50 LEU CD1 C 22.958 0.3 1 524 50 50 LEU CD2 C 23.388 0.3 1 525 51 51 ASP H H 7.654 0.02 1 526 51 51 ASP HA H 4.087 0.02 1 527 51 51 ASP HB2 H 2.755 0.02 2 528 51 51 ASP HB3 H 2.53 0.02 2 529 51 51 ASP CA C 58.536 0.3 1 530 51 51 ASP CB C 43.001 0.3 1 531 51 51 ASP N N 121.647 0.3 1 532 52 52 VAL H H 8.291 0.02 1 533 52 52 VAL HA H 3.308 0.02 1 534 52 52 VAL HB H 1.682 0.02 1 535 52 52 VAL HG1 H 0.878 0.02 2 536 52 52 VAL HG2 H 0.501 0.02 2 537 52 52 VAL CA C 65.81 0.3 1 538 52 52 VAL CB C 31.985 0.3 1 539 52 52 VAL CG1 C 22.769 0.3 1 540 52 52 VAL CG2 C 21.227 0.3 1 541 52 52 VAL N N 117.887 0.3 1 542 53 53 ALA H H 6.786 0.02 1 543 53 53 ALA HA H 3.338 0.02 1 544 53 53 ALA HB H 1.22 0.02 1 545 53 53 ALA CA C 54.382 0.3 1 546 53 53 ALA CB C 19.213 0.3 1 547 53 53 ALA N N 122.283 0.3 1 548 54 54 VAL H H 8.295 0.02 1 549 54 54 VAL HA H 3.611 0.02 1 550 54 54 VAL HB H 2.073 0.02 1 551 54 54 VAL HG1 H 0.865 0.02 2 552 54 54 VAL HG2 H 0.823 0.02 2 553 54 54 VAL CA C 66.866 0.3 1 554 54 54 VAL CB C 31.621 0.3 1 555 54 54 VAL CG1 C 23.284 0.3 1 556 54 54 VAL CG2 C 21.487 0.3 1 557 54 54 VAL N N 118.043 0.3 1 558 55 55 GLU H H 8.771 0.02 1 559 55 55 GLU HA H 3.885 0.02 1 560 55 55 GLU HB2 H 1.927 0.02 1 561 55 55 GLU HB3 H 1.927 0.02 1 562 55 55 GLU HG2 H 2.216 0.02 1 563 55 55 GLU HG3 H 2.216 0.02 1 564 55 55 GLU CA C 59.074 0.3 1 565 55 55 GLU CB C 29.295 0.3 1 566 55 55 GLU CG C 36.142 0.3 1 567 55 55 GLU N N 122.066 0.3 1 568 56 56 ASN H H 7.452 0.02 1 569 56 56 ASN HA H 4.578 0.02 1 570 56 56 ASN HB2 H 2.471 0.02 2 571 56 56 ASN HB3 H 1.22 0.02 2 572 56 56 ASN HD21 H 7.11 0.02 1 573 56 56 ASN HD22 H 6.392 0.02 1 574 56 56 ASN CA C 53.097 0.3 1 575 56 56 ASN CB C 38.516 0.3 1 576 56 56 ASN N N 113.906 0.3 1 577 56 56 ASN ND2 N 115.504 0.3 1 578 57 57 SER H H 8.091 0.02 1 579 57 57 SER HA H 4.245 0.02 1 580 57 57 SER HB2 H 4.031 0.02 1 581 57 57 SER HB3 H 4.031 0.02 1 582 57 57 SER CA C 58.945 0.3 1 583 57 57 SER CB C 60.846 0.3 1 584 57 57 SER N N 113.473 0.3 1 585 58 58 TRP H H 9.312 0.02 1 586 58 58 TRP HA H 4.881 0.02 1 587 58 58 TRP HB2 H 3.75 0.02 2 588 58 58 TRP HB3 H 3.32 0.02 2 589 58 58 TRP HD1 H 7.037 0.02 1 590 58 58 TRP HE1 H 10.308 0.02 1 591 58 58 TRP HE3 H 7.575 0.02 1 592 58 58 TRP HZ2 H 7.397 0.02 1 593 58 58 TRP HZ3 H 7.116 0.02 1 594 58 58 TRP HH2 H 7.161 0.02 1 595 58 58 TRP CA C 57.403 0.3 1 596 58 58 TRP CB C 28.669 0.3 1 597 58 58 TRP CD1 C 124.415 0.3 1 598 58 58 TRP CE3 C 120.8 0.3 1 599 58 58 TRP CZ2 C 114.128 0.3 1 600 58 58 TRP CZ3 C 121.739 0.3 1 601 58 58 TRP CH2 C 125.381 0.3 1 602 58 58 TRP N N 121.24 0.3 1 603 58 58 TRP NE1 N 128.735 0.3 1 604 59 59 GLY H H 7.681 0.02 1 605 59 59 GLY HA2 H 4.529 0.02 2 606 59 59 GLY HA3 H 2.736 0.02 2 607 59 59 GLY CA C 45.483 0.3 1 608 59 59 GLY N N 104.328 0.3 1 609 60 60 GLY H H 7.682 0.02 1 610 60 60 GLY HA2 H 4.577 0.02 2 611 60 60 GLY HA3 H 4.018 0.02 2 612 60 60 GLY CA C 44.478 0.3 1 613 60 60 GLY N N 107.57 0.3 1 614 61 61 PRO HA H 4.51 0.02 1 615 61 61 PRO HB2 H 2.433 0.02 2 616 61 61 PRO HB3 H 1.968 0.02 2 617 61 61 PRO HG2 H 2.065 0.02 1 618 61 61 PRO HG3 H 2.065 0.02 1 619 61 61 PRO HD2 H 3.891 0.02 2 620 61 61 PRO HD3 H 3.651 0.02 2 621 61 61 PRO CA C 65.104 0.3 1 622 61 61 PRO CB C 31.998 0.3 1 623 61 61 PRO CG C 27.29 0.3 1 624 61 61 PRO CD C 50.172 0.3 1 625 62 62 ASP H H 8.817 0.02 1 626 62 62 ASP HA H 5.166 0.02 1 627 62 62 ASP HB2 H 2.724 0.02 2 628 62 62 ASP HB3 H 2.354 0.02 2 629 62 62 ASP CA C 53.733 0.3 1 630 62 62 ASP CB C 40.104 0.3 1 631 62 62 ASP N N 116.142 0.3 1 632 63 63 SER H H 7.738 0.02 1 633 63 63 SER HA H 3.637 0.02 1 634 63 63 SER HB2 H 4.381 0.02 2 635 63 63 SER HB3 H 4.002 0.02 2 636 63 63 SER CA C 65.442 0.3 1 637 63 63 SER CB C 65.297 0.3 1 638 63 63 SER N N 116.027 0.3 1 639 64 64 ALA H H 9.114 0.02 1 640 64 64 ALA HA H 4.12 0.02 1 641 64 64 ALA HB H 1.54 0.02 1 642 64 64 ALA CA C 56.185 0.3 1 643 64 64 ALA CB C 17.306 0.3 1 644 64 64 ALA N N 122.781 0.3 1 645 65 65 GLU H H 7.91 0.02 1 646 65 65 GLU HA H 4.399 0.02 1 647 65 65 GLU HB2 H 2.294 0.02 1 648 65 65 GLU HB3 H 2.294 0.02 1 649 65 65 GLU HG2 H 2.63 0.02 2 650 65 65 GLU HG3 H 2.442 0.02 2 651 65 65 GLU CA C 60.051 0.3 1 652 65 65 GLU CB C 31.129 0.3 1 653 65 65 GLU CG C 38.037 0.3 1 654 65 65 GLU N N 119.985 0.3 1 655 66 66 LYS H H 8.366 0.02 1 656 66 66 LYS HA H 4.181 0.02 1 657 66 66 LYS HB2 H 2.131 0.02 2 658 66 66 LYS HB3 H 1.57 0.02 2 659 66 66 LYS CA C 59.935 0.3 1 660 66 66 LYS CB C 34.232 0.3 1 661 66 66 LYS CG C 25.438 0.3 1 662 66 66 LYS N N 119.199 0.3 1 663 67 67 ARG H H 7.655 0.02 1 664 67 67 ARG HA H 4.305 0.02 1 665 67 67 ARG HB2 H 2.331 0.02 2 666 67 67 ARG HB3 H 1.465 0.02 2 667 67 67 ARG HG2 H 1.518 0.02 1 668 67 67 ARG HE H 7.643 0.02 1 669 67 67 ARG CA C 59.884 0.3 1 670 67 67 ARG CB C 29.12 0.3 1 671 67 67 ARG CG C 26.861 0.3 1 672 67 67 ARG N N 119.771 0.3 1 673 67 67 ARG NE N 82.288 0.3 1 674 68 68 ASP H H 7.002 0.02 1 675 68 68 ASP HA H 5.043 0.02 1 676 68 68 ASP HB2 H 2.875 0.02 2 677 68 68 ASP HB3 H 2.759 0.02 2 678 68 68 ASP CA C 56.996 0.3 1 679 68 68 ASP CB C 40.071 0.3 1 680 68 68 ASP N N 117.331 0.3 1 681 69 69 TRP H H 8.705 0.02 1 682 69 69 TRP HA H 4.689 0.02 1 683 69 69 TRP HB2 H 4.162 0.02 2 684 69 69 TRP HB3 H 3.456 0.02 2 685 69 69 TRP HD1 H 7.664 0.02 1 686 69 69 TRP HE1 H 10.609 0.02 1 687 69 69 TRP HE3 H 8.205 0.02 1 688 69 69 TRP HZ2 H 7.007 0.02 1 689 69 69 TRP HZ3 H 7.003 0.02 1 690 69 69 TRP HH2 H 7.342 0.02 1 691 69 69 TRP CA C 61.064 0.3 1 692 69 69 TRP CB C 28.82 0.3 1 693 69 69 TRP CD1 C 126.842 0.3 1 694 69 69 TRP CE3 C 120.913 0.3 1 695 69 69 TRP CZ2 C 115.437 0.3 1 696 69 69 TRP CZ3 C 121.753 0.3 1 697 69 69 TRP CH2 C 125.204 0.3 1 698 69 69 TRP N N 126.554 0.3 1 699 69 69 TRP NE1 N 133.972 0.3 1 700 70 70 ILE H H 8.341 0.02 1 701 70 70 ILE HA H 3.117 0.02 1 702 70 70 ILE HB H 2.412 0.02 1 703 70 70 ILE HG2 H 0.838 0.02 1 704 70 70 ILE HD1 H 1.133 0.02 1 705 70 70 ILE CA C 66.095 0.3 1 706 70 70 ILE CB C 36.134 0.3 1 707 70 70 ILE CG1 C 26.941 0.3 1 708 70 70 ILE CG2 C 18.129 0.3 1 709 70 70 ILE CD1 C 15 0.3 1 710 70 70 ILE N N 123.758 0.3 1 711 71 71 THR H H 7.882 0.02 1 712 71 71 THR HA H 4.515 0.02 1 713 71 71 THR HB H 3.553 0.02 1 714 71 71 THR HG2 H 0.943 0.02 1 715 71 71 THR CA C 67.267 0.3 1 716 71 71 THR CB C 67.072 0.3 1 717 71 71 THR CG2 C 23.552 0.3 1 718 71 71 THR N N 115.529 0.3 1 719 72 72 GLY H H 7.408 0.02 1 720 72 72 GLY HA2 H 4.202 0.02 2 721 72 72 GLY HA3 H 3.609 0.02 2 722 72 72 GLY CA C 47.887 0.3 1 723 72 72 GLY N N 106.886 0.3 1 724 73 73 ILE H H 8.23 0.02 1 725 73 73 ILE HA H 4.159 0.02 1 726 73 73 ILE HB H 1.835 0.02 1 727 73 73 ILE HG12 H 1.317 0.02 2 728 73 73 ILE HG13 H 0.903 0.02 2 729 73 73 ILE HG2 H 0.37 0.02 1 730 73 73 ILE HD1 H 0.254 0.02 1 731 73 73 ILE CA C 64.785 0.3 1 732 73 73 ILE CB C 36.762 0.3 1 733 73 73 ILE CG1 C 25.378 0.3 1 734 73 73 ILE CG2 C 17.579 0.3 1 735 73 73 ILE CD1 C 14.148 0.3 1 736 73 73 ILE N N 117.127 0.3 1 737 74 74 VAL H H 7.767 0.02 1 738 74 74 VAL HA H 3.77 0.02 1 739 74 74 VAL HB H 2.284 0.02 1 740 74 74 VAL HG1 H 1.081 0.02 2 741 74 74 VAL HG2 H 0.955 0.02 2 742 74 74 VAL CA C 66.93 0.3 1 743 74 74 VAL CB C 30.937 0.3 1 744 74 74 VAL CG1 C 23.479 0.3 1 745 74 74 VAL CG2 C 23.666 0.3 1 746 74 74 VAL N N 123.552 0.3 1 747 75 75 VAL H H 8.599 0.02 1 748 75 75 VAL HA H 3.78 0.02 1 749 75 75 VAL HB H 2.35 0.02 1 750 75 75 VAL HG1 H 1.048 0.02 2 751 75 75 VAL HG2 H 0.955 0.02 2 752 75 75 VAL CA C 67.854 0.3 1 753 75 75 VAL CB C 31.625 0.3 1 754 75 75 VAL CG1 C 22.32 0.3 1 755 75 75 VAL CG2 C 23.585 0.3 1 756 75 75 VAL N N 119.912 0.3 1 757 76 76 ASP H H 8.613 0.02 1 758 76 76 ASP HA H 4.466 0.02 1 759 76 76 ASP HB2 H 2.836 0.02 2 760 76 76 ASP HB3 H 2.557 0.02 2 761 76 76 ASP CA C 57.389 0.3 1 762 76 76 ASP CB C 40.541 0.3 1 763 76 76 ASP N N 119.681 0.3 1 764 77 77 LEU H H 7.625 0.02 1 765 77 77 LEU HA H 4.083 0.02 1 766 77 77 LEU HB2 H 2.085 0.02 2 767 77 77 LEU HB3 H 0.975 0.02 2 768 77 77 LEU HG H 2.295 0.02 1 769 77 77 LEU HD1 H 0.891 0.02 2 770 77 77 LEU HD2 H 0.868 0.02 2 771 77 77 LEU CA C 58.475 0.3 1 772 77 77 LEU CB C 42.314 0.3 1 773 77 77 LEU CG C 25.847 0.3 1 774 77 77 LEU CD1 C 26.723 0.3 1 775 77 77 LEU CD2 C 22.116 0.3 1 776 77 77 LEU N N 119.917 0.3 1 777 78 78 PHE H H 7.338 0.02 1 778 78 78 PHE HA H 3.85 0.02 1 779 78 78 PHE HB2 H 3.343 0.02 2 780 78 78 PHE HB3 H 2.804 0.02 2 781 78 78 PHE HD1 H 7.354 0.02 1 782 78 78 PHE HE1 H 6.778 0.02 1 783 78 78 PHE HE2 H 6.778 0.02 1 784 78 78 PHE HZ H 6.929 0.02 1 785 78 78 PHE CA C 60.202 0.3 1 786 78 78 PHE CB C 38.992 0.3 1 787 78 78 PHE CD1 C 133.347 0.3 1 788 78 78 PHE CD2 C 133.347 0.3 1 789 78 78 PHE CE1 C 130.408 0.3 1 790 78 78 PHE CE2 C 130.408 0.3 1 791 78 78 PHE CZ C 128.904 0.3 1 792 78 78 PHE N N 113.745 0.3 1 793 79 79 LYS H H 7.513 0.02 1 794 79 79 LYS HA H 3.949 0.02 1 795 79 79 LYS HB2 H 1.917 0.02 1 796 79 79 LYS HB3 H 1.917 0.02 1 797 79 79 LYS HG2 H 1.752 0.02 2 798 79 79 LYS HG3 H 1.309 0.02 2 799 79 79 LYS HD2 H 1.801 0.02 2 800 79 79 LYS HD3 H 1.734 0.02 2 801 79 79 LYS HE2 H 2.911 0.02 2 802 79 79 LYS HE3 H 2.828 0.02 2 803 79 79 LYS CA C 58.896 0.3 1 804 79 79 LYS CB C 33.069 0.3 1 805 79 79 LYS CG C 26.557 0.3 1 806 79 79 LYS CD C 29.819 0.3 1 807 79 79 LYS CE C 42.426 0.3 1 808 79 79 LYS N N 114.685 0.3 1 809 80 80 ASN H H 7.59 0.02 1 810 80 80 ASN HA H 4.898 0.02 1 811 80 80 ASN HB2 H 2.797 0.02 2 812 80 80 ASN HB3 H 2.694 0.02 2 813 80 80 ASN HD21 H 7.817 0.02 1 814 80 80 ASN HD22 H 7.004 0.02 1 815 80 80 ASN CA C 53.944 0.3 1 816 80 80 ASN CB C 41.685 0.3 1 817 80 80 ASN N N 112.88 0.3 1 818 80 80 ASN ND2 N 115.485 0.3 1 819 81 81 GLU H H 7.723 0.02 1 820 81 81 GLU HA H 4.702 0.02 1 821 81 81 GLU HB2 H 2.02 0.02 2 822 81 81 GLU HB3 H 1.644 0.02 2 823 81 81 GLU HG2 H 2.366 0.02 2 824 81 81 GLU HG3 H 2.103 0.02 2 825 81 81 GLU CA C 54.543 0.3 1 826 81 81 GLU CB C 31.863 0.3 1 827 81 81 GLU CG C 35.316 0.3 1 828 81 81 GLU N N 118.945 0.3 1 829 82 82 LYS H H 8.412 0.02 1 830 82 82 LYS HA H 3.943 0.02 1 831 82 82 LYS HB2 H 1.741 0.02 2 832 82 82 LYS HB3 H 1.71 0.02 2 833 82 82 LYS HG2 H 1.377 0.02 2 834 82 82 LYS HG3 H 1.277 0.02 2 835 82 82 LYS HD2 H 2.093 0.02 2 836 82 82 LYS HD3 H 1.659 0.02 2 837 82 82 LYS HE2 H 2.982 0.02 1 838 82 82 LYS HE3 H 2.982 0.02 1 839 82 82 LYS CA C 56.888 0.3 1 840 82 82 LYS CB C 33.805 0.3 1 841 82 82 LYS CG C 25.34 0.3 1 842 82 82 LYS CD C 29.663 0.3 1 843 82 82 LYS CE C 42.013 0.3 1 844 82 82 LYS N N 115.044 0.3 1 845 83 83 VAL H H 7.31 0.02 1 846 83 83 VAL HA H 4.763 0.02 1 847 83 83 VAL HB H 1.854 0.02 1 848 83 83 VAL HG1 H 0.88 0.02 2 849 83 83 VAL HG2 H 0.773 0.02 2 850 83 83 VAL CA C 60.921 0.3 1 851 83 83 VAL CB C 35.031 0.3 1 852 83 83 VAL CG1 C 21.498 0.3 1 853 83 83 VAL CG2 C 20.5 0.3 1 854 83 83 VAL N N 117.526 0.3 1 855 84 84 VAL H H 8.119 0.02 1 856 84 84 VAL HA H 3.865 0.02 1 857 84 84 VAL HB H 0.967 0.02 1 858 84 84 VAL HG1 H 0.309 0.02 2 859 84 84 VAL HG2 H -0.142 0.02 2 860 84 84 VAL CA C 62.051 0.3 1 861 84 84 VAL CB C 35.089 0.3 1 862 84 84 VAL CG1 C 22.338 0.3 1 863 84 84 VAL CG2 C 21.995 0.3 1 864 84 84 VAL N N 125.129 0.3 1 865 85 85 ASP H H 7.194 0.02 1 866 85 85 ASP HA H 5.317 0.02 1 867 85 85 ASP HB2 H 3.187 0.02 2 868 85 85 ASP HB3 H 2.591 0.02 2 869 85 85 ASP CA C 50.657 0.3 1 870 85 85 ASP CB C 44.183 0.3 1 871 85 85 ASP N N 122.815 0.3 1 872 86 86 ALA H H 8.46 0.02 1 873 86 86 ALA HA H 3.796 0.02 1 874 86 86 ALA HB H 1.364 0.02 1 875 86 86 ALA CA C 55.363 0.3 1 876 86 86 ALA CB C 18.091 0.3 1 877 86 86 ALA N N 121.31 0.3 1 878 87 87 ALA H H 8.1 0.02 1 879 87 87 ALA HA H 4.117 0.02 1 880 87 87 ALA HB H 1.438 0.02 1 881 87 87 ALA CA C 55.133 0.3 1 882 87 87 ALA CB C 17.937 0.3 1 883 87 87 ALA N N 119.121 0.3 1 884 88 88 LEU H H 8.123 0.02 1 885 88 88 LEU HA H 4.275 0.02 1 886 88 88 LEU HB2 H 1.961 0.02 2 887 88 88 LEU HB3 H 1.855 0.02 2 888 88 88 LEU HG H 0.995 0.02 1 889 88 88 LEU HD1 H 0.31 0.02 2 890 88 88 LEU HD2 H 0.927 0.02 2 891 88 88 LEU CA C 57.814 0.3 1 892 88 88 LEU CB C 42.002 0.3 1 893 88 88 LEU CG C 26.83 0.3 1 894 88 88 LEU CD1 C 22.451 0.3 1 895 88 88 LEU CD2 C 22.294 0.3 1 896 88 88 LEU N N 121.324 0.3 1 897 89 89 ILE H H 7.576 0.02 1 898 89 89 ILE HA H 3.388 0.02 1 899 89 89 ILE HB H 1.907 0.02 1 900 89 89 ILE HG12 H 1.761 0.02 2 901 89 89 ILE HG13 H 0.735 0.02 2 902 89 89 ILE HG2 H 0.868 0.02 1 903 89 89 ILE HD1 H 0.972 0.02 1 904 89 89 ILE CA C 66.089 0.3 1 905 89 89 ILE CB C 38.081 0.3 1 906 89 89 ILE CG1 C 28.53 0.3 1 907 89 89 ILE CG2 C 17.699 0.3 1 908 89 89 ILE CD1 C 14.828 0.3 1 909 89 89 ILE N N 120.107 0.3 1 910 90 90 GLU H H 8.991 0.02 1 911 90 90 GLU HA H 3.471 0.02 1 912 90 90 GLU HB2 H 2.334 0.02 2 913 90 90 GLU HB3 H 1.72 0.02 2 914 90 90 GLU HG2 H 2.046 0.02 2 915 90 90 GLU HG3 H 1.863 0.02 2 916 90 90 GLU CA C 60.408 0.3 1 917 90 90 GLU CB C 29.749 0.3 1 918 90 90 GLU CG C 35.692 0.3 1 919 90 90 GLU N N 120.856 0.3 1 920 91 91 GLU H H 8.322 0.02 1 921 91 91 GLU HA H 3.849 0.02 1 922 91 91 GLU HB2 H 2.164 0.02 1 923 91 91 GLU HB3 H 2.164 0.02 1 924 91 91 GLU HG2 H 2.281 0.02 1 925 91 91 GLU HG3 H 2.281 0.02 1 926 91 91 GLU CA C 59.835 0.3 1 927 91 91 GLU CB C 30.065 0.3 1 928 91 91 GLU CG C 36.964 0.3 1 929 91 91 GLU N N 117.624 0.3 1 930 92 92 THR H H 7.645 0.02 1 931 92 92 THR HA H 4.018 0.02 1 932 92 92 THR HB H 4.468 0.02 1 933 92 92 THR HG2 H 1.127 0.02 1 934 92 92 THR CA C 67.351 0.3 1 935 92 92 THR CB C 68.752 0.3 1 936 92 92 THR CG2 C 20.363 0.3 1 937 92 92 THR N N 115.834 0.3 1 938 93 93 LEU H H 8.316 0.02 1 939 93 93 LEU HA H 3.98 0.02 1 940 93 93 LEU HB2 H 1.926 0.02 2 941 93 93 LEU HB3 H 1.49 0.02 2 942 93 93 LEU HG H 1.751 0.02 1 943 93 93 LEU HD1 H 0.646 0.02 2 944 93 93 LEU HD2 H 0.264 0.02 2 945 93 93 LEU CA C 58.296 0.3 1 946 93 93 LEU CB C 41.407 0.3 1 947 93 93 LEU CG C 26.109 0.3 1 948 93 93 LEU CD1 C 22.964 0.3 1 949 93 93 LEU CD2 C 26.053 0.3 1 950 93 93 LEU N N 121.296 0.3 1 951 94 94 LEU H H 8.677 0.02 1 952 94 94 LEU HA H 4.234 0.02 1 953 94 94 LEU HB2 H 1.908 0.02 2 954 94 94 LEU HB3 H 1.393 0.02 2 955 94 94 LEU HD1 H 0.882 0.02 2 956 94 94 LEU HD2 H 1.152 0.02 2 957 94 94 LEU CA C 58.299 0.3 1 958 94 94 LEU CB C 41.51 0.3 1 959 94 94 LEU CG C 25.475 0.3 1 960 94 94 LEU CD1 C 25.441 0.3 1 961 94 94 LEU CD2 C 22.648 0.3 1 962 94 94 LEU N N 118.407 0.3 1 963 95 95 TYR H H 8.801 0.02 1 964 95 95 TYR HA H 4.63 0.02 1 965 95 95 TYR HB2 H 3.324 0.02 2 966 95 95 TYR HB3 H 3.049 0.02 2 967 95 95 TYR HD1 H 7.201 0.02 1 968 95 95 TYR HD2 H 7.201 0.02 1 969 95 95 TYR HE1 H 6.828 0.02 1 970 95 95 TYR HE2 H 6.828 0.02 1 971 95 95 TYR CA C 60.886 0.3 1 972 95 95 TYR CB C 37.142 0.3 1 973 95 95 TYR CD1 C 132.381 0.3 1 974 95 95 TYR CD2 C 132.381 0.3 1 975 95 95 TYR CE1 C 118.21 0.3 1 976 95 95 TYR CE2 C 118.21 0.3 1 977 95 95 TYR N N 117.704 0.3 1 978 96 96 ALA H H 8.147 0.02 1 979 96 96 ALA HA H 4.786 0.02 1 980 96 96 ALA HB H 1.775 0.02 1 981 96 96 ALA CA C 56.024 0.3 1 982 96 96 ALA CB C 18.885 0.3 1 983 96 96 ALA N N 122.606 0.3 1 984 97 97 MET H H 7.903 0.02 1 985 97 97 MET HA H 4.738 0.02 1 986 97 97 MET HB2 H 2.57 0.02 2 987 97 97 MET HB3 H 2.165 0.02 2 988 97 97 MET HG2 H 2.791 0.02 2 989 97 97 MET HG3 H 2.492 0.02 2 990 97 97 MET HE H 1.095 0.02 1 991 97 97 MET CA C 57.817 0.3 1 992 97 97 MET CB C 30.443 0.3 1 993 97 97 MET CG C 33.864 0.3 1 994 97 97 MET CE C 14.831 0.3 1 995 97 97 MET N N 115.507 0.3 1 996 98 98 ILE H H 7.924 0.02 1 997 98 98 ILE HA H 3.68 0.02 1 998 98 98 ILE HB H 1.995 0.02 1 999 98 98 ILE HG12 H 1.868 0.02 2 1000 98 98 ILE HG13 H 1.064 0.02 2 1001 98 98 ILE HG2 H 1.036 0.02 1 1002 98 98 ILE HD1 H 0.816 0.02 1 1003 98 98 ILE CA C 65.456 0.3 1 1004 98 98 ILE CB C 39.389 0.3 1 1005 98 98 ILE CG1 C 29.385 0.3 1 1006 98 98 ILE CG2 C 17.098 0.3 1 1007 98 98 ILE CD1 C 13.603 0.3 1 1008 98 98 ILE N N 123.584 0.3 1 1009 99 99 ASP H H 9.42 0.02 1 1010 99 99 ASP HA H 4.452 0.02 1 1011 99 99 ASP HB2 H 3.083 0.02 2 1012 99 99 ASP HB3 H 2.671 0.02 2 1013 99 99 ASP CA C 57.802 0.3 1 1014 99 99 ASP CB C 40.885 0.3 1 1015 99 99 ASP N N 120.191 0.3 1 1016 100 100 GLU H H 8.519 0.02 1 1017 100 100 GLU HA H 5.02 0.02 1 1018 100 100 GLU HB2 H 2.09 0.02 2 1019 100 100 GLU HB3 H 1.647 0.02 2 1020 100 100 GLU HG2 H 2.174 0.02 1 1021 100 100 GLU HG3 H 2.174 0.02 1 1022 100 100 GLU CA C 55.244 0.3 1 1023 100 100 GLU CB C 29.996 0.3 1 1024 100 100 GLU CG C 35.744 0.3 1 1025 100 100 GLU N N 112.463 0.3 1 1026 101 101 PHE H H 7.573 0.02 1 1027 101 101 PHE HA H 4.577 0.02 1 1028 101 101 PHE HB2 H 3.454 0.02 2 1029 101 101 PHE HB3 H 3.311 0.02 2 1030 101 101 PHE HD1 H 7.207 0.02 1 1031 101 101 PHE HE1 H 6.953 0.02 1 1032 101 101 PHE HE2 H 6.953 0.02 1 1033 101 101 PHE CA C 58.125 0.3 1 1034 101 101 PHE CB C 40.21 0.3 1 1035 101 101 PHE CD1 C 132.206 0.3 1 1036 101 101 PHE CE1 C 129.922 0.3 1 1037 101 101 PHE CE2 C 129.922 0.3 1 1038 101 101 PHE N N 114.691 0.3 1 1039 102 102 GLU H H 7.537 0.02 1 1040 102 102 GLU HA H 4.255 0.02 1 1041 102 102 GLU HB2 H 2.232 0.02 2 1042 102 102 GLU HB3 H 2.029 0.02 2 1043 102 102 GLU HG2 H 2.172 0.02 1 1044 102 102 GLU HG3 H 2.172 0.02 1 1045 102 102 GLU CA C 57.317 0.3 1 1046 102 102 GLU CB C 28.111 0.3 1 1047 102 102 GLU CG C 37.097 0.3 1 1048 102 102 GLU N N 117.965 0.3 1 1049 103 103 THR H H 7.894 0.02 1 1050 103 103 THR HA H 4.373 0.02 1 1051 103 103 THR HB H 3.559 0.02 1 1052 103 103 THR HG2 H 1.001 0.02 1 1053 103 103 THR CA C 62.338 0.3 1 1054 103 103 THR CB C 72.232 0.3 1 1055 103 103 THR CG2 C 20.337 0.3 1 1056 103 103 THR N N 114.688 0.3 1 1057 104 104 ASN H H 8.59 0.02 1 1058 104 104 ASN HA H 4.791 0.02 1 1059 104 104 ASN HB2 H 2.704 0.02 2 1060 104 104 ASN HB3 H 2.571 0.02 2 1061 104 104 ASN HD21 H 7.589 0.02 1 1062 104 104 ASN HD22 H 6.796 0.02 1 1063 104 104 ASN CA C 51.794 0.3 1 1064 104 104 ASN CB C 39.093 0.3 1 1065 104 104 ASN N N 124.839 0.3 1 1066 104 104 ASN ND2 N 112.65 0.3 1 1067 105 105 VAL H H 8.615 0.02 1 1068 105 105 VAL HA H 3.962 0.02 1 1069 105 105 VAL HB H 2.299 0.02 1 1070 105 105 VAL HG1 H 1.177 0.02 2 1071 105 105 VAL HG2 H 0.937 0.02 2 1072 105 105 VAL CA C 63.483 0.3 1 1073 105 105 VAL CB C 31.399 0.3 1 1074 105 105 VAL CG1 C 22.197 0.3 1 1075 105 105 VAL CG2 C 21.811 0.3 1 1076 105 105 VAL N N 126.445 0.3 1 1077 106 106 GLU H H 9.035 0.02 1 1078 106 106 GLU HA H 4.699 0.02 1 1079 106 106 GLU HB2 H 2.289 0.02 2 1080 106 106 GLU HB3 H 1.85 0.02 2 1081 106 106 GLU HG2 H 2.187 0.02 2 1082 106 106 GLU HG3 H 2.113 0.02 2 1083 106 106 GLU CA C 56.162 0.3 1 1084 106 106 GLU CB C 31.059 0.3 1 1085 106 106 GLU CG C 36.61 0.3 1 1086 106 106 GLU N N 127.716 0.3 1 1087 107 107 ASP H H 7.745 0.02 1 1088 107 107 ASP HA H 4.694 0.02 1 1089 107 107 ASP HB2 H 3.165 0.02 2 1090 107 107 ASP HB3 H 2.606 0.02 2 1091 107 107 ASP CA C 53.379 0.3 1 1092 107 107 ASP CB C 41.01 0.3 1 1093 107 107 ASP N N 119.44 0.3 1 1094 108 108 ASP H H 8.707 0.02 1 1095 108 108 ASP HA H 4.739 0.02 1 1096 108 108 ASP HB2 H 3.02 0.02 2 1097 108 108 ASP HB3 H 2.864 0.02 2 1098 108 108 ASP CA C 56.022 0.3 1 1099 108 108 ASP CB C 39.63 0.3 1 1100 108 108 ASP N N 116.059 0.3 1 1101 109 109 SER H H 8.037 0.02 1 1102 109 109 SER HA H 4.159 0.02 1 1103 109 109 SER HB2 H 4.358 0.02 2 1104 109 109 SER HB3 H 4.005 0.02 2 1105 109 109 SER CA C 60.736 0.3 1 1106 109 109 SER CB C 63.724 0.3 1 1107 109 109 SER N N 111.304 0.3 1 1108 110 110 ALA H H 8.82 0.02 1 1109 110 110 ALA HA H 3.483 0.02 1 1110 110 110 ALA HB H 1.291 0.02 1 1111 110 110 ALA CA C 53.725 0.3 1 1112 110 110 ALA CB C 19.293 0.3 1 1113 110 110 ALA N N 124.572 0.3 1 1114 111 111 LEU H H 7.753 0.02 1 1115 111 111 LEU HA H 4.106 0.02 1 1116 111 111 LEU HB2 H 1.936 0.02 2 1117 111 111 LEU HB3 H 1.631 0.02 2 1118 111 111 LEU HG H 1.514 0.02 1 1119 111 111 LEU HD1 H 0.883 0.02 2 1120 111 111 LEU HD2 H 0.805 0.02 2 1121 111 111 LEU CA C 59.53 0.3 1 1122 111 111 LEU CB C 38.159 0.3 1 1123 111 111 LEU CG C 27.097 0.3 1 1124 111 111 LEU CD1 C 25.513 0.3 1 1125 111 111 LEU CD2 C 22.979 0.3 1 1126 111 111 LEU N N 120.491 0.3 1 1127 112 112 PRO HA H 4.167 0.02 1 1128 112 112 PRO HB2 H 2.289 0.02 2 1129 112 112 PRO HB3 H 1.781 0.02 2 1130 112 112 PRO HG2 H 2.084 0.02 2 1131 112 112 PRO HG3 H 1.934 0.02 2 1132 112 112 PRO HD2 H 3.747 0.02 2 1133 112 112 PRO HD3 H 3.673 0.02 2 1134 112 112 PRO CA C 65.772 0.3 1 1135 112 112 PRO CB C 30.982 0.3 1 1136 112 112 PRO CG C 28.312 0.3 1 1137 112 112 PRO CD C 49.668 0.3 1 1138 113 113 ILE H H 6.291 0.02 1 1139 113 113 ILE HA H 3.616 0.02 1 1140 113 113 ILE HB H 1.78 0.02 1 1141 113 113 ILE HG12 H 1.481 0.02 2 1142 113 113 ILE HG13 H 0.474 0.02 2 1143 113 113 ILE HG2 H 0.475 0.02 1 1144 113 113 ILE HD1 H 0.609 0.02 1 1145 113 113 ILE CA C 61.017 0.3 1 1146 113 113 ILE CB C 34.772 0.3 1 1147 113 113 ILE CG1 C 25.708 0.3 1 1148 113 113 ILE CG2 C 16.947 0.3 1 1149 113 113 ILE CD1 C 7.744 0.3 1 1150 113 113 ILE N N 117.476 0.3 1 1151 114 114 ALA H H 7.876 0.02 1 1152 114 114 ALA HA H 3.769 0.02 1 1153 114 114 ALA HB H 1.603 0.02 1 1154 114 114 ALA CA C 55.819 0.3 1 1155 114 114 ALA CB C 20.128 0.3 1 1156 114 114 ALA N N 122.404 0.3 1 1157 115 115 VAL H H 8.352 0.02 1 1158 115 115 VAL HA H 3.348 0.02 1 1159 115 115 VAL HB H 1.973 0.02 1 1160 115 115 VAL HG1 H 0.92 0.02 2 1161 115 115 VAL HG2 H 0.899 0.02 2 1162 115 115 VAL CA C 66.944 0.3 1 1163 115 115 VAL CB C 32.094 0.3 1 1164 115 115 VAL CG1 C 23.291 0.3 1 1165 115 115 VAL CG2 C 21.348 0.3 1 1166 115 115 VAL N N 115.777 0.3 1 1167 116 116 GLU H H 7.802 0.02 1 1168 116 116 GLU HA H 4.317 0.02 1 1169 116 116 GLU HB2 H 2.175 0.02 2 1170 116 116 GLU HB3 H 2.136 0.02 2 1171 116 116 GLU HG2 H 2.395 0.02 2 1172 116 116 GLU HG3 H 2.328 0.02 2 1173 116 116 GLU CA C 59.208 0.3 1 1174 116 116 GLU CB C 29.229 0.3 1 1175 116 116 GLU CG C 36.304 0.3 1 1176 116 116 GLU N N 120.515 0.3 1 1177 117 117 VAL H H 8.311 0.02 1 1178 117 117 VAL HA H 3.481 0.02 1 1179 117 117 VAL HB H 2.584 0.02 1 1180 117 117 VAL HG1 H 1.096 0.02 2 1181 117 117 VAL HG2 H 1.086 0.02 2 1182 117 117 VAL CA C 68.2 0.3 1 1183 117 117 VAL CB C 30.952 0.3 1 1184 117 117 VAL CG1 C 22.805 0.3 1 1185 117 117 VAL CG2 C 23.487 0.3 1 1186 117 117 VAL N N 120.343 0.3 1 1187 118 118 ILE H H 7.569 0.02 1 1188 118 118 ILE HA H 3.707 0.02 1 1189 118 118 ILE HB H 2.225 0.02 1 1190 118 118 ILE HG12 H 1.514 0.02 2 1191 118 118 ILE HG13 H 1.311 0.02 2 1192 118 118 ILE HG2 H 0.795 0.02 1 1193 118 118 ILE HD1 H 0.613 0.02 1 1194 118 118 ILE CA C 64.312 0.3 1 1195 118 118 ILE CB C 36.073 0.3 1 1196 118 118 ILE CG1 C 28.759 0.3 1 1197 118 118 ILE CG2 C 17.437 0.3 1 1198 118 118 ILE CD1 C 11.741 0.3 1 1199 118 118 ILE N N 120.156 0.3 1 1200 119 119 ASN H H 8.491 0.02 1 1201 119 119 ASN HA H 4.583 0.02 1 1202 119 119 ASN HB2 H 3.074 0.02 2 1203 119 119 ASN HB3 H 3.023 0.02 2 1204 119 119 ASN HD21 H 7.606 0.02 1 1205 119 119 ASN HD22 H 6.966 0.02 1 1206 119 119 ASN CA C 56.459 0.3 1 1207 119 119 ASN CB C 37.613 0.3 1 1208 119 119 ASN N N 119.01 0.3 1 1209 119 119 ASN ND2 N 112.161 0.3 1 1210 120 120 ILE H H 8.664 0.02 1 1211 120 120 ILE HA H 4.076 0.02 1 1212 120 120 ILE HB H 2.358 0.02 1 1213 120 120 ILE HG12 H 1.598 0.02 2 1214 120 120 ILE HG13 H 1.413 0.02 2 1215 120 120 ILE HG2 H 1.078 0.02 1 1216 120 120 ILE HD1 H 0.688 0.02 1 1217 120 120 ILE CA C 63.302 0.3 1 1218 120 120 ILE CB C 36.531 0.3 1 1219 120 120 ILE CG1 C 29.366 0.3 1 1220 120 120 ILE CG2 C 18.449 0.3 1 1221 120 120 ILE CD1 C 11.24 0.3 1 1222 120 120 ILE N N 121.978 0.3 1 1223 121 121 TYR H H 8.728 0.02 1 1224 121 121 TYR HA H 3.768 0.02 1 1225 121 121 TYR HB2 H 3.455 0.02 2 1226 121 121 TYR HB3 H 2.768 0.02 2 1227 121 121 TYR HD1 H 6.933 0.02 1 1228 121 121 TYR HD2 H 6.933 0.02 1 1229 121 121 TYR HE1 H 6.782 0.02 1 1230 121 121 TYR HE2 H 6.782 0.02 1 1231 121 121 TYR CA C 63.998 0.3 1 1232 121 121 TYR CB C 37.105 0.3 1 1233 121 121 TYR CD1 C 131.023 0.3 1 1234 121 121 TYR CD2 C 131.023 0.3 1 1235 121 121 TYR CE1 C 130.304 0.3 1 1236 121 121 TYR CE2 C 130.304 0.3 1 1237 121 121 TYR N N 124.542 0.3 1 1238 122 122 ASN H H 8.522 0.02 1 1239 122 122 ASN HA H 4.572 0.02 1 1240 122 122 ASN HB2 H 3.027 0.02 2 1241 122 122 ASN HB3 H 2.866 0.02 2 1242 122 122 ASN HD21 H 7.707 0.02 1 1243 122 122 ASN HD22 H 6.966 0.02 1 1244 122 122 ASN CA C 56.469 0.3 1 1245 122 122 ASN CB C 38.192 0.3 1 1246 122 122 ASN N N 118.235 0.3 1 1247 122 122 ASN ND2 N 112.561 0.3 1 1248 123 123 ASP H H 8.639 0.02 1 1249 123 123 ASP HA H 4.537 0.02 1 1250 123 123 ASP HB2 H 3.498 0.02 2 1251 123 123 ASP HB3 H 2.955 0.02 2 1252 123 123 ASP CA C 58.13 0.3 1 1253 123 123 ASP CB C 39.101 0.3 1 1254 123 123 ASP N N 121.929 0.3 1 1255 124 124 CYS H H 8.497 0.02 1 1256 124 124 CYS HA H 3.808 0.02 1 1257 124 124 CYS HB2 H 3.097 0.02 2 1258 124 124 CYS HB3 H 2.06 0.02 2 1259 124 124 CYS CA C 64.423 0.3 1 1260 124 124 CYS CB C 27.218 0.3 1 1261 124 124 CYS N N 118.025 0.3 1 1262 125 125 PHE H H 9.325 0.02 1 1263 125 125 PHE HA H 3.801 0.02 1 1264 125 125 PHE HB2 H 3.478 0.02 2 1265 125 125 PHE HB3 H 3.038 0.02 2 1266 125 125 PHE HD1 H 7.294 0.02 1 1267 125 125 PHE HD2 H 7.294 0.02 1 1268 125 125 PHE HE1 H 7.464 0.02 1 1269 125 125 PHE HE2 H 7.464 0.02 1 1270 125 125 PHE HZ H 7.406 0.02 1 1271 125 125 PHE CA C 61.534 0.3 1 1272 125 125 PHE CB C 39.247 0.3 1 1273 125 125 PHE CD1 C 131.913 0.3 1 1274 125 125 PHE CD2 C 131.913 0.3 1 1275 125 125 PHE CE1 C 131.71 0.3 1 1276 125 125 PHE CE2 C 131.71 0.3 1 1277 125 125 PHE CZ C 130.279 0.3 1 1278 125 125 PHE N N 125.041 0.3 1 1279 126 126 ASN H H 7.577 0.02 1 1280 126 126 ASN HA H 4.539 0.02 1 1281 126 126 ASN HB2 H 3.035 0.02 2 1282 126 126 ASN HB3 H 2.815 0.02 2 1283 126 126 ASN HD21 H 7.707 0.02 1 1284 126 126 ASN HD22 H 7.16 0.02 1 1285 126 126 ASN CA C 53.422 0.3 1 1286 126 126 ASN CB C 39.412 0.3 1 1287 126 126 ASN N N 115.383 0.3 1 1288 126 126 ASN ND2 N 115.107 0.3 1 1289 127 127 LEU H H 7.715 0.02 1 1290 127 127 LEU HA H 3.186 0.02 1 1291 127 127 LEU HB2 H 1.905 0.02 2 1292 127 127 LEU HB3 H 1.342 0.02 2 1293 127 127 LEU HG H 1.23 0.02 1 1294 127 127 LEU HD1 H 0.788 0.02 2 1295 127 127 LEU HD2 H 0.733 0.02 2 1296 127 127 LEU CA C 55.559 0.3 1 1297 127 127 LEU CB C 37.867 0.3 1 1298 127 127 LEU CG C 27.047 0.3 1 1299 127 127 LEU CD1 C 25.423 0.3 1 1300 127 127 LEU CD2 C 23.612 0.3 1 1301 127 127 LEU N N 116.392 0.3 1 1302 128 128 ASN H H 8.045 0.02 1 1303 128 128 ASN HA H 4.614 0.02 1 1304 128 128 ASN HB2 H 2.877 0.02 2 1305 128 128 ASN HB3 H 2.443 0.02 2 1306 128 128 ASN HD21 H 7.578 0.02 1 1307 128 128 ASN HD22 H 6.765 0.02 1 1308 128 128 ASN CA C 50.982 0.3 1 1309 128 128 ASN CB C 38.162 0.3 1 1310 128 128 ASN N N 116.722 0.3 1 1311 128 128 ASN ND2 N 111.186 0.3 1 1312 129 129 TYR H H 8.425 0.02 1 1313 129 129 TYR HA H 4.716 0.02 1 1314 129 129 TYR HB2 H 3.251 0.02 2 1315 129 129 TYR HB3 H 2.726 0.02 2 1316 129 129 TYR HD1 H 6.98 0.02 1 1317 129 129 TYR HD2 H 6.98 0.02 1 1318 129 129 TYR HE1 H 6.552 0.02 1 1319 129 129 TYR HE2 H 6.552 0.02 1 1320 129 129 TYR CA C 55.658 0.3 1 1321 129 129 TYR CB C 37.729 0.3 1 1322 129 129 TYR CD1 C 132.955 0.3 1 1323 129 129 TYR CD2 C 132.955 0.3 1 1324 129 129 TYR CE1 C 117.618 0.3 1 1325 129 129 TYR CE2 C 117.618 0.3 1 1326 129 129 TYR N N 121.424 0.3 1 1327 130 130 ASN H H 8.209 0.02 1 1328 130 130 ASN HA H 4.36 0.02 1 1329 130 130 ASN HB2 H 2.898 0.02 2 1330 130 130 ASN HB3 H 2.748 0.02 2 1331 130 130 ASN HD21 H 7.738 0.02 1 1332 130 130 ASN HD22 H 7.057 0.02 1 1333 130 130 ASN CA C 57.407 0.3 1 1334 130 130 ASN CB C 38.636 0.3 1 1335 130 130 ASN N N 119.285 0.3 1 1336 130 130 ASN ND2 N 113.424 0.3 1 1337 131 131 LYS H H 8.9 0.02 1 1338 131 131 LYS HA H 4.115 0.02 1 1339 131 131 LYS HB2 H 1.868 0.02 2 1340 131 131 LYS HB3 H 1.767 0.02 2 1341 131 131 LYS HG2 H 1.473 0.02 2 1342 131 131 LYS HG3 H 1.362 0.02 2 1343 131 131 LYS HD2 H 1.66 0.02 1 1344 131 131 LYS HD3 H 1.66 0.02 1 1345 131 131 LYS HE2 H 2.898 0.02 1 1346 131 131 LYS HE3 H 2.898 0.02 1 1347 131 131 LYS CA C 59.439 0.3 1 1348 131 131 LYS CB C 31.751 0.3 1 1349 131 131 LYS CG C 25.083 0.3 1 1350 131 131 LYS CD C 28.949 0.3 1 1351 131 131 LYS CE C 41.957 0.3 1 1352 131 131 LYS N N 120.862 0.3 1 1353 132 132 VAL H H 7.286 0.02 1 1354 132 132 VAL HA H 3.297 0.02 1 1355 132 132 VAL HB H 2.149 0.02 1 1356 132 132 VAL HG1 H 1.06 0.02 2 1357 132 132 VAL HG2 H 0.82 0.02 2 1358 132 132 VAL CA C 67.899 0.3 1 1359 132 132 VAL CB C 32.061 0.3 1 1360 132 132 VAL CG1 C 22.589 0.3 1 1361 132 132 VAL CG2 C 20.98 0.3 1 1362 132 132 VAL N N 118.385 0.3 1 1363 133 133 GLU H H 8.06 0.02 1 1364 133 133 GLU HA H 3.931 0.02 1 1365 133 133 GLU HB2 H 2.1 0.02 1 1366 133 133 GLU HB3 H 2.1 0.02 1 1367 133 133 GLU HG2 H 2.413 0.02 2 1368 133 133 GLU HG3 H 2.196 0.02 2 1369 133 133 GLU CA C 60.052 0.3 1 1370 133 133 GLU CB C 29.672 0.3 1 1371 133 133 GLU CG C 36.779 0.3 1 1372 133 133 GLU N N 116.515 0.3 1 1373 134 134 LYS H H 8.028 0.02 1 1374 134 134 LYS HA H 4.086 0.02 1 1375 134 134 LYS HB2 H 1.981 0.02 2 1376 134 134 LYS HB3 H 1.957 0.02 2 1377 134 134 LYS HG2 H 1.558 0.02 2 1378 134 134 LYS HG3 H 1.428 0.02 2 1379 134 134 LYS HD2 H 1.709 0.02 2 1380 134 134 LYS HD3 H 1.656 0.02 2 1381 134 134 LYS HE2 H 2.995 0.02 1 1382 134 134 LYS HE3 H 2.995 0.02 1 1383 134 134 LYS CA C 59.684 0.3 1 1384 134 134 LYS CB C 32.833 0.3 1 1385 134 134 LYS CG C 24.907 0.3 1 1386 134 134 LYS CD C 29.484 0.3 1 1387 134 134 LYS CE C 42.18 0.3 1 1388 134 134 LYS N N 119.848 0.3 1 1389 135 135 LEU H H 8.604 0.02 1 1390 135 135 LEU HA H 4.125 0.02 1 1391 135 135 LEU HB2 H 2.042 0.02 2 1392 135 135 LEU HB3 H 1.307 0.02 2 1393 135 135 LEU HG H 1.956 0.02 1 1394 135 135 LEU HD1 H 0.906 0.02 2 1395 135 135 LEU HD2 H 0.79 0.02 2 1396 135 135 LEU CA C 57.663 0.3 1 1397 135 135 LEU CB C 42.575 0.3 1 1398 135 135 LEU CG C 26.968 0.3 1 1399 135 135 LEU CD1 C 22.973 0.3 1 1400 135 135 LEU CD2 C 26.22 0.3 1 1401 135 135 LEU N N 118.34 0.3 1 1402 136 136 TYR H H 8.393 0.02 1 1403 136 136 TYR HA H 3.931 0.02 1 1404 136 136 TYR HB2 H 3.068 0.02 2 1405 136 136 TYR HB3 H 2.98 0.02 2 1406 136 136 TYR HD1 H 7.168 0.02 1 1407 136 136 TYR HD2 H 7.168 0.02 1 1408 136 136 TYR HE1 H 6.596 0.02 1 1409 136 136 TYR HE2 H 6.596 0.02 1 1410 136 136 TYR CA C 59.981 0.3 1 1411 136 136 TYR CB C 38.422 0.3 1 1412 136 136 TYR CD1 C 133.162 0.3 1 1413 136 136 TYR CD2 C 133.162 0.3 1 1414 136 136 TYR CE1 C 118.207 0.3 1 1415 136 136 TYR CE2 C 118.207 0.3 1 1416 136 136 TYR N N 121.159 0.3 1 1417 137 137 LEU H H 8.418 0.02 1 1418 137 137 LEU HA H 4.022 0.02 1 1419 137 137 LEU HB2 H 1.931 0.02 2 1420 137 137 LEU HB3 H 1.67 0.02 2 1421 137 137 LEU HG H 1.875 0.02 1 1422 137 137 LEU HD1 H 0.951 0.02 2 1423 137 137 LEU HD2 H 0.922 0.02 2 1424 137 137 LEU CA C 58.504 0.3 1 1425 137 137 LEU CB C 41.626 0.3 1 1426 137 137 LEU CG C 27.041 0.3 1 1427 137 137 LEU CD1 C 25.078 0.3 1 1428 137 137 LEU CD2 C 23.543 0.3 1 1429 137 137 LEU N N 121.178 0.3 1 1430 138 138 GLU H H 8.247 0.02 1 1431 138 138 GLU HA H 4.021 0.02 1 1432 138 138 GLU HB2 H 2.193 0.02 2 1433 138 138 GLU HB3 H 2.087 0.02 2 1434 138 138 GLU HG2 H 2.585 0.02 2 1435 138 138 GLU HG3 H 2.251 0.02 2 1436 138 138 GLU CA C 59.519 0.3 1 1437 138 138 GLU CB C 29.631 0.3 1 1438 138 138 GLU CG C 36.943 0.3 1 1439 138 138 GLU N N 119.388 0.3 1 1440 139 139 TRP H H 8.487 0.02 1 1441 139 139 TRP HA H 4.149 0.02 1 1442 139 139 TRP HB2 H 3.67 0.02 2 1443 139 139 TRP HB3 H 3.443 0.02 2 1444 139 139 TRP HD1 H 7.241 0.02 1 1445 139 139 TRP HE1 H 8.139 0.02 1 1446 139 139 TRP HE3 H 7.18 0.02 1 1447 139 139 TRP HZ2 H 7.06 0.02 1 1448 139 139 TRP HZ3 H 6.999 0.02 1 1449 139 139 TRP HH2 H 7.07 0.02 1 1450 139 139 TRP CA C 62.187 0.3 1 1451 139 139 TRP CB C 30.149 0.3 1 1452 139 139 TRP CD1 C 126.665 0.3 1 1453 139 139 TRP CE3 C 120.331 0.3 1 1454 139 139 TRP CZ2 C 113.989 0.3 1 1455 139 139 TRP CZ3 C 121.619 0.3 1 1456 139 139 TRP CH2 C 124.268 0.3 1 1457 139 139 TRP N N 124.055 0.3 1 1458 139 139 TRP NE1 N 127.413 0.3 1 1459 140 140 GLN H H 8.763 0.02 1 1460 140 140 GLN HA H 3.4 0.02 1 1461 140 140 GLN HB2 H 2.062 0.02 2 1462 140 140 GLN HB3 H 1.823 0.02 2 1463 140 140 GLN HG2 H 2.133 0.02 2 1464 140 140 GLN HG3 H 1.932 0.02 2 1465 140 140 GLN HE21 H 6.801 0.02 1 1466 140 140 GLN HE22 H 6.375 0.02 1 1467 140 140 GLN CA C 59.546 0.3 1 1468 140 140 GLN CB C 29.793 0.3 1 1469 140 140 GLN CG C 34.727 0.3 1 1470 140 140 GLN N N 118.789 0.3 1 1471 140 140 GLN NE2 N 111.621 0.3 1 1472 141 141 GLU H H 7.74 0.02 1 1473 141 141 GLU HA H 4.024 0.02 1 1474 141 141 GLU HB2 H 2.097 0.02 2 1475 141 141 GLU HB3 H 2.029 0.02 2 1476 141 141 GLU HG2 H 2.272 0.02 1 1477 141 141 GLU HG3 H 2.272 0.02 1 1478 141 141 GLU CA C 58.94 0.3 1 1479 141 141 GLU CB C 28.998 0.3 1 1480 141 141 GLU CG C 35.51 0.3 1 1481 141 141 GLU N N 119.649 0.3 1 1482 142 142 LYS H H 7.916 0.02 1 1483 142 142 LYS HA H 3.961 0.02 1 1484 142 142 LYS HB2 H 1.837 0.02 1 1485 142 142 LYS HB3 H 1.837 0.02 1 1486 142 142 LYS HG2 H 1.492 0.02 2 1487 142 142 LYS HG3 H 1.291 0.02 2 1488 142 142 LYS HD2 H 1.691 0.02 1 1489 142 142 LYS HD3 H 1.691 0.02 1 1490 142 142 LYS HE2 H 2.981 0.02 1 1491 142 142 LYS HE3 H 2.981 0.02 1 1492 142 142 LYS CA C 59.257 0.3 1 1493 142 142 LYS CB C 32.053 0.3 1 1494 142 142 LYS CG C 25.373 0.3 1 1495 142 142 LYS CD C 29.576 0.3 1 1496 142 142 LYS CE C 42.14 0.3 1 1497 142 142 LYS N N 121.35 0.3 1 1498 143 143 GLN H H 7.937 0.02 1 1499 143 143 GLN HA H 3.659 0.02 1 1500 143 143 GLN HB2 H 1.722 0.02 2 1501 143 143 GLN HB3 H 1.535 0.02 2 1502 143 143 GLN HG2 H 1.288 0.02 2 1503 143 143 GLN HG3 H 0.894 0.02 2 1504 143 143 GLN HE21 H 6.813 0.02 1 1505 143 143 GLN HE22 H 6.19 0.02 1 1506 143 143 GLN CA C 57.322 0.3 1 1507 143 143 GLN CB C 27.857 0.3 1 1508 143 143 GLN CG C 32.094 0.3 1 1509 143 143 GLN N N 116.758 0.3 1 1510 143 143 GLN NE2 N 113.004 0.3 1 1511 144 144 ARG H H 7.588 0.02 1 1512 144 144 ARG HA H 4.025 0.02 1 1513 144 144 ARG HB2 H 1.881 0.02 1 1514 144 144 ARG HB3 H 1.881 0.02 1 1515 144 144 ARG HG2 H 1.685 0.02 2 1516 144 144 ARG HG3 H 1.55 0.02 2 1517 144 144 ARG HD2 H 3.172 0.02 2 1518 144 144 ARG HD3 H 3.135 0.02 2 1519 144 144 ARG CA C 58.803 0.3 1 1520 144 144 ARG CB C 30.465 0.3 1 1521 144 144 ARG CG C 27.703 0.3 1 1522 144 144 ARG CD C 43.344 0.3 1 1523 144 144 ARG N N 118.154 0.3 1 1524 145 145 THR H H 7.729 0.02 1 1525 145 145 THR HA H 4.179 0.02 1 1526 145 145 THR HB H 4.296 0.02 1 1527 145 145 THR HG2 H 1.203 0.02 1 1528 145 145 THR CA C 63.209 0.3 1 1529 145 145 THR CB C 69.451 0.3 1 1530 145 145 THR CG2 C 21.648 0.3 1 1531 145 145 THR N N 111.409 0.3 1 1532 146 146 LYS H H 7.699 0.02 1 1533 146 146 LYS HA H 4.155 0.02 1 1534 146 146 LYS HB2 H 1.797 0.02 1 1535 146 146 LYS HB3 H 1.797 0.02 1 1536 146 146 LYS HG2 H 1.45 0.02 2 1537 146 146 LYS HG3 H 1.398 0.02 2 1538 146 146 LYS HD2 H 1.612 0.02 1 1539 146 146 LYS HD3 H 1.612 0.02 1 1540 146 146 LYS HE2 H 2.973 0.02 1 1541 146 146 LYS HE3 H 2.973 0.02 1 1542 146 146 LYS CA C 57.524 0.3 1 1543 146 146 LYS CB C 32.68 0.3 1 1544 146 146 LYS CG C 24.755 0.3 1 1545 146 146 LYS CD C 29.33 0.3 1 1546 146 146 LYS CE C 42.034 0.3 1 1547 146 146 LYS N N 122.833 0.3 1 1548 147 147 LYS H H 8.121 0.02 1 1549 147 147 LYS HA H 4.254 0.02 1 1550 147 147 LYS HB2 H 1.859 0.02 2 1551 147 147 LYS HB3 H 1.769 0.02 2 1552 147 147 LYS HG2 H 1.477 0.02 2 1553 147 147 LYS HG3 H 1.422 0.02 2 1554 147 147 LYS HD2 H 1.658 0.02 1 1555 147 147 LYS HD3 H 1.658 0.02 1 1556 147 147 LYS HE2 H 2.975 0.02 1 1557 147 147 LYS HE3 H 2.975 0.02 1 1558 147 147 LYS CA C 56.747 0.3 1 1559 147 147 LYS CB C 32.845 0.3 1 1560 147 147 LYS CG C 24.876 0.3 1 1561 147 147 LYS CD C 29.011 0.3 1 1562 147 147 LYS CE C 42.101 0.3 1 1563 147 147 LYS N N 121.168 0.3 1 1564 148 148 SER H H 8.131 0.02 1 1565 148 148 SER HA H 4.406 0.02 1 1566 148 148 SER HB2 H 3.883 0.02 1 1567 148 148 SER HB3 H 3.883 0.02 1 1568 148 148 SER CA C 58.628 0.3 1 1569 148 148 SER CB C 63.87 0.3 1 1570 148 148 SER N N 116.252 0.3 1 1571 149 149 LYS H H 8.23 0.02 1 1572 149 149 LYS HA H 4.307 0.02 1 1573 149 149 LYS HB2 H 1.868 0.02 2 1574 149 149 LYS HB3 H 1.761 0.02 2 1575 149 149 LYS HG2 H 1.475 0.02 2 1576 149 149 LYS HG3 H 1.419 0.02 2 1577 149 149 LYS HD2 H 1.663 0.02 1 1578 149 149 LYS HD3 H 1.663 0.02 1 1579 149 149 LYS HE2 H 2.976 0.02 1 1580 149 149 LYS HE3 H 2.976 0.02 1 1581 149 149 LYS CA C 56.499 0.3 1 1582 149 149 LYS CB C 32.906 0.3 1 1583 149 149 LYS CG C 24.77 0.3 1 1584 149 149 LYS CD C 29.101 0.3 1 1585 149 149 LYS CE C 42.058 0.3 1 1586 149 149 LYS N N 123.007 0.3 1 1587 150 150 ARG H H 8.222 0.02 1 1588 150 150 ARG HA H 4.322 0.02 1 1589 150 150 ARG HB2 H 1.801 0.02 2 1590 150 150 ARG HB3 H 1.744 0.02 2 1591 150 150 ARG HG2 H 1.634 0.02 2 1592 150 150 ARG HG3 H 1.557 0.02 2 1593 150 150 ARG HD2 H 3.167 0.02 1 1594 150 150 ARG HD3 H 3.167 0.02 1 1595 150 150 ARG CA C 56.182 0.3 1 1596 150 150 ARG CB C 30.849 0.3 1 1597 150 150 ARG CG C 27.201 0.3 1 1598 150 150 ARG CD C 43.355 0.3 1 1599 150 150 ARG N N 122.404 0.3 1 1600 151 151 VAL H H 8.264 0.02 1 1601 151 151 VAL HA H 4.098 0.02 1 1602 151 151 VAL HB H 1.996 0.02 1 1603 151 151 VAL HG1 H 0.924 0.02 2 1604 151 151 VAL HG2 H 0.831 0.02 2 1605 151 151 VAL CA C 62.226 0.3 1 1606 151 151 VAL CB C 32.926 0.3 1 1607 151 151 VAL CG1 C 20.743 0.3 1 1608 151 151 VAL CG2 C 21.181 0.3 1 1609 151 151 VAL N N 122.974 0.3 1 1610 152 152 VAL H H 8.275 0.02 1 1611 152 152 VAL HA H 4.096 0.02 1 1612 152 152 VAL HB H 1.988 0.02 1 1613 152 152 VAL HG1 H 0.834 0.02 2 1614 152 152 VAL HG2 H 0.898 0.02 2 1615 152 152 VAL CA C 62.309 0.3 1 1616 152 152 VAL CB C 32.888 0.3 1 1617 152 152 VAL CG1 C 21.14 0.3 1 1618 152 152 VAL CG2 C 20.565 0.3 1 1619 152 152 VAL N N 124.909 0.3 1 1620 153 153 HIS H H 8.551 0.02 1 1621 153 153 HIS HA H 4.686 0.02 1 1622 153 153 HIS HB2 H 3.104 0.02 2 1623 153 153 HIS HB3 H 3.037 0.02 2 1624 153 153 HIS HD1 H 7.065 0.02 1 1625 153 153 HIS HD2 H 7.058 0.02 1 1626 153 153 HIS HE1 H 8.062 0.02 1 1627 153 153 HIS HE2 H 8.227 0.02 1 1628 153 153 HIS CA C 55.855 0.3 1 1629 153 153 HIS CB C 30.609 0.3 1 1630 153 153 HIS CD2 C 119.677 0.3 1 1631 153 153 HIS CE1 C 137.833 0.3 1 1632 153 153 HIS N N 124.684 0.3 1 1633 154 154 ILE H H 8.222 0.02 1 1634 154 154 ILE HA H 4.129 0.02 1 1635 154 154 ILE HB H 1.79 0.02 1 1636 154 154 ILE HG12 H 1.424 0.02 2 1637 154 154 ILE HG13 H 1.132 0.02 2 1638 154 154 ILE HG2 H 0.868 0.02 1 1639 154 154 ILE HD1 H 0.831 0.02 1 1640 154 154 ILE CA C 60.905 0.3 1 1641 154 154 ILE CB C 38.922 0.3 1 1642 154 154 ILE CG1 C 27.17 0.3 1 1643 154 154 ILE CG2 C 17.426 0.3 1 1644 154 154 ILE CD1 C 12.79 0.3 1 1645 154 154 ILE N N 124.35 0.3 1 1646 155 155 GLU H H 8.545 0.02 1 1647 155 155 GLU HA H 4.297 0.02 1 1648 155 155 GLU HB2 H 2.072 0.02 2 1649 155 155 GLU HB3 H 1.925 0.02 2 1650 155 155 GLU HG2 H 2.268 0.02 1 1651 155 155 GLU HG3 H 2.268 0.02 1 1652 155 155 GLU CA C 56.497 0.3 1 1653 155 155 GLU CB C 30.5 0.3 1 1654 155 155 GLU CG C 36.263 0.3 1 1655 155 155 GLU N N 125.716 0.3 1 1656 156 156 GLY H H 8.035 0.02 1 1657 156 156 GLY HA2 H 3.76 0.02 1 1658 156 156 GLY HA3 H 3.76 0.02 1 1659 156 156 GLY CA C 46.078 0.3 1 1660 156 156 GLY N N 116.709 0.3 1 stop_ save_