data_34497 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Ca2+-free Calmodulin mutant N53I ; _BMRB_accession_number 34497 _BMRB_flat_file_name bmr34497.str _Entry_type original _Submission_date 2020-03-06 _Accession_date 2020-03-06 _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 Holt C. . . 2 Hamborg L. N. . 3 Lau K. . . 4 Brohus M. . . 5 Sorensen A. B. . 6 Larsen K. T. . 7 Sommer C. . . 8 Petegem F. V. . 9 Overgaard M. T. . 10 Wimmer R. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 heteronucl_NOE 1 T1_relaxation 1 T2_relaxation 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 819 "13C chemical shifts" 611 "15N chemical shifts" 146 "T1 relaxation values" 139 "T2 relaxation values" 139 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2020-04-27 original BMRB . stop_ _Original_release_date 2020-04-23 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; The arrhythmogenic N53I variant subtly changes the structure and dynamics in the calmodulin N-domain, altering its interaction with the cardiac ryanodine receptor ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 32317284 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Holt C. . . 2 Hamborg L. . . 3 Lau K. . . 4 Brohus M. . . 5 Sorensen A. B. . 6 Larsen K. T. . 7 Sommer C. . . 8 Petegem F. V. . 9 Overgaard M. T. . 10 Wimmer R. . . stop_ _Journal_abbreviation 'J. Biol. Chem.' _Journal_volume . _Journal_issue . _Journal_ASTM JBCHA3 _Journal_ISSN 1083-351X _Journal_CSD 0071 _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year 2020 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name Calmodulin _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label unit_1 $entity_1 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 16720.404 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 148 _Mol_residue_sequence ; ADQLTEEQIAEFKEAFSLFD KDGDGTITTKELGTVMRSLG QNPTEAELQDMIIEVDADGN GTIDFPEFLTMMARKMKDTD SEEEIREAFRVFDKDGNGYI SAAELRHVMTNLGEKLTDEE VDEMIREADIDGDGQVNYEE FVQMMTAK ; loop_ _Residue_seq_code _Residue_label 1 ALA 2 ASP 3 GLN 4 LEU 5 THR 6 GLU 7 GLU 8 GLN 9 ILE 10 ALA 11 GLU 12 PHE 13 LYS 14 GLU 15 ALA 16 PHE 17 SER 18 LEU 19 PHE 20 ASP 21 LYS 22 ASP 23 GLY 24 ASP 25 GLY 26 THR 27 ILE 28 THR 29 THR 30 LYS 31 GLU 32 LEU 33 GLY 34 THR 35 VAL 36 MET 37 ARG 38 SER 39 LEU 40 GLY 41 GLN 42 ASN 43 PRO 44 THR 45 GLU 46 ALA 47 GLU 48 LEU 49 GLN 50 ASP 51 MET 52 ILE 53 ILE 54 GLU 55 VAL 56 ASP 57 ALA 58 ASP 59 GLY 60 ASN 61 GLY 62 THR 63 ILE 64 ASP 65 PHE 66 PRO 67 GLU 68 PHE 69 LEU 70 THR 71 MET 72 MET 73 ALA 74 ARG 75 LYS 76 MET 77 LYS 78 ASP 79 THR 80 ASP 81 SER 82 GLU 83 GLU 84 GLU 85 ILE 86 ARG 87 GLU 88 ALA 89 PHE 90 ARG 91 VAL 92 PHE 93 ASP 94 LYS 95 ASP 96 GLY 97 ASN 98 GLY 99 TYR 100 ILE 101 SER 102 ALA 103 ALA 104 GLU 105 LEU 106 ARG 107 HIS 108 VAL 109 MET 110 THR 111 ASN 112 LEU 113 GLY 114 GLU 115 LYS 116 LEU 117 THR 118 ASP 119 GLU 120 GLU 121 VAL 122 ASP 123 GLU 124 MET 125 ILE 126 ARG 127 GLU 128 ALA 129 ASP 130 ILE 131 ASP 132 GLY 133 ASP 134 GLY 135 GLN 136 VAL 137 ASN 138 TYR 139 GLU 140 GLU 141 PHE 142 VAL 143 GLN 144 MET 145 MET 146 THR 147 ALA 148 LYS 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 _Gene_mnemonic $entity_1 Human 9606 Eukaryota Metazoa Homo sapiens 'CALM1, CALM, CAM, CAM1' 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' . . . . 'Rosetta 2' . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details ; 1.9 mM [U-99% 13C; U-99% 15N] Calmodulin N53I, 20 mM HEPES, 100 mM potassium chloride, 1 mM EDTA, 2 mM sodium azide, 0.05 mM TSP, 95% H2O/5% D2O ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1.9 mM '[U-99% 13C; U-99% 15N]' HEPES 20 mM 'natural abundance' 'potassium chloride' 100 mM 'natural abundance' EDTA 1 mM 'natural abundance' 'sodium azide' 2 mM 'natural abundance' TSP 0.05 mM 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details ; 1.2 mM [U-99% 15N] Calmodulin N53I, 2 mM HEPES, 10 mM potassium chloride, 10 mM EDTA, 2 mM sodium azide, 0.05 mM TSP, 95% H2O/5% D2O ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1.2 mM '[U-99% 15N]' HEPES 2 mM 'natural abundance' 'potassium chloride' 10 mM 'natural abundance' EDTA 10 mM 'natural abundance' 'sodium azide' 2 mM 'natural abundance' TSP 0.05 mM 'natural abundance' stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details ; 1.2 mM [U-99% 13C; U-99% 15N] Calmodulin, 2 mM HEPES, 10 mM potassium chloride, 10 mM EDTA, 2 mM sodium azide, 0.05 mM TSP, 95% H2O/5% D2O ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1.2 mM '[U-99% 13C; U-99% 15N]' HEPES 2 mM 'natural abundance' 'potassium chloride' 10 mM 'natural abundance' EDTA 10 mM 'natural abundance' 'sodium azide' 2 mM 'natural abundance' TSP 0.05 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name YASARA _Version 14.12.2 loop_ _Vendor _Address _Electronic_address 'YASARA Biosciences GmbH' . . stop_ loop_ _Task refinement stop_ _Details ; YASARA Biosciences GmbH Dr. Elmar Krieger Wagramer Strasse 25/3/45 1220 Vienna Austria / Europe ; save_ save_software_2 _Saveframe_category software _Name CYANA _Version 2.1 loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure calculation' stop_ _Details . save_ save_software_3 _Saveframe_category software _Name TALOS _Version TALOS+ loop_ _Vendor _Address _Electronic_address 'Cornilescu, Delaglio and Bax' . . stop_ loop_ _Task 'structure calculation' stop_ _Details . save_ save_software_4 _Saveframe_category software _Name CARA _Version 1.8.4.2 loop_ _Vendor _Address _Electronic_address 'Keller and Wuthrich' . . stop_ loop_ _Task 'chemical shift assignment' 'peak picking' stop_ _Details . save_ save_software_5 _Saveframe_category software _Name TopSpin _Version 3.0 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task processing stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model 'AVANCE III' _Field_strength 600 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model 'AVANCE III' _Field_strength 800 _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-13C_HSQC_aliphatic_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic' _Sample_label $sample_2 save_ save_2D_1H-13C_HSQC_aromatic_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aromatic' _Sample_label $sample_1 save_ save_3D_HNCA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aromatic_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aliphatic_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_15N-T2_11 _Saveframe_category NMR_applied_experiment _Experiment_name 15N-T2 _Sample_label $sample_2 save_ save_15N-T1_12 _Saveframe_category NMR_applied_experiment _Experiment_name 15N-T1 _Sample_label $sample_2 save_ save_T2-relaxation_dispersion_13 _Saveframe_category NMR_applied_experiment _Experiment_name 'T2-relaxation dispersion' _Sample_label $sample_2 save_ save_{1H}-15N-NOE_14 _Saveframe_category NMR_applied_experiment _Experiment_name {1H}-15N-NOE _Sample_label $sample_2 save_ save_T2-relaxation_dispersion_15 _Saveframe_category NMR_applied_experiment _Experiment_name 'T2-relaxation dispersion' _Sample_label $sample_3 save_ save_{1H}-15N-NOE_16 _Saveframe_category NMR_applied_experiment _Experiment_name {1H}-15N-NOE _Sample_label $sample_3 save_ save_15N-T2_17 _Saveframe_category NMR_applied_experiment _Experiment_name 15N-T2 _Sample_label $sample_3 save_ save_15N-T1_18 _Saveframe_category NMR_applied_experiment _Experiment_name 15N-T1 _Sample_label $sample_3 save_ save_3D_HCCH-TOCSY_19 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 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' 105 . mM pH 6.3 . pH pressure 1 . atm temperature 298.1 . 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' 42 . mM pH 6.56 0.05 pH pressure 1 . atm temperature 298.1 . 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' 42 . mM pH 6.53 0.05 pH pressure 1 . atm temperature 298.1 . 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 TSP C 13 'methyl protons' ppm 0.000 internal indirect . . . 0.25144953 TSP H 1 'methyl protons' ppm 0.000 internal direct . . . 1.0 TSP N 15 'methyl protons' ppm 0.000 internal indirect . . . 0.10132912 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 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC aliphatic' '2D 1H-13C HSQC aromatic' '3D HNCA' '3D CBCA(CO)NH' '3D 1H-13C NOESY aromatic' '3D 1H-13C NOESY aliphatic' '3D 1H-15N NOESY' '3D HCCH-TOCSY' '3D HBHA(CO)NH' 15N-T2 15N-T1 'T2-relaxation dispersion' {1H}-15N-NOE stop_ loop_ _Sample_label $sample_1 $sample_2 $sample_3 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chem_shift_reference_1 _Mol_system_component_name unit_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 1 1 ALA H H 8.463 0.020 1 2 1 1 ALA HA H 4.276 0.020 1 3 1 1 ALA HB H 1.525 0.020 1 4 1 1 ALA CA C 51.785 0.3 1 5 1 1 ALA CB C 19.363 0.3 1 6 1 1 ALA N N 123.092 0.3 1 7 2 2 ASP H H 8.710 0.020 1 8 2 2 ASP HA H 4.609 0.020 1 9 2 2 ASP HB2 H 2.693 0.020 2 10 2 2 ASP HB3 H 2.590 0.020 2 11 2 2 ASP C C 177.836 0.3 1 12 2 2 ASP CA C 54.595 0.3 1 13 2 2 ASP CB C 41.242 0.3 1 14 2 2 ASP N N 120.064 0.3 1 15 3 3 GLN H H 8.212 0.020 1 16 3 3 GLN HA H 4.395 0.020 1 17 3 3 GLN HB2 H 1.902 0.020 2 18 3 3 GLN HB3 H 2.092 0.020 2 19 3 3 GLN HG2 H 2.329 0.020 1 20 3 3 GLN HG3 H 2.329 0.020 1 21 3 3 GLN C C 175.766 0.3 1 22 3 3 GLN CA C 55.357 0.3 1 23 3 3 GLN CB C 30.618 0.3 1 24 3 3 GLN CG C 33.575 0.3 1 25 3 3 GLN N N 118.431 0.3 1 26 4 4 LEU H H 8.302 0.020 1 27 4 4 LEU HA H 4.612 0.020 1 28 4 4 LEU HB2 H 1.715 0.020 2 29 4 4 LEU HB3 H 1.376 0.020 2 30 4 4 LEU HG H 0.902 0.020 1 31 4 4 LEU HD1 H 0.877 0.020 1 32 4 4 LEU HD2 H 0.877 0.020 1 33 4 4 LEU C C 177.710 0.3 1 34 4 4 LEU CA C 54.123 0.3 1 35 4 4 LEU CB C 43.147 0.3 1 36 4 4 LEU CG C 26.874 0.3 1 37 4 4 LEU N N 121.828 0.3 1 38 5 5 THR H H 8.772 0.020 1 39 5 5 THR HA H 4.408 0.020 1 40 5 5 THR HB H 4.750 0.020 1 41 5 5 THR HG2 H 1.322 0.020 1 42 5 5 THR C C 175.421 0.3 1 43 5 5 THR CA C 60.443 0.3 1 44 5 5 THR CB C 71.013 0.3 1 45 5 5 THR CG2 C 21.677 0.3 1 46 5 5 THR N N 112.942 0.3 1 47 6 6 GLU H H 9.024 0.020 1 48 6 6 GLU HA H 3.924 0.020 1 49 6 6 GLU HB2 H 2.029 0.020 1 50 6 6 GLU HB3 H 2.029 0.020 1 51 6 6 GLU HG2 H 2.350 0.020 1 52 6 6 GLU HG3 H 2.350 0.020 1 53 6 6 GLU C C 179.473 0.3 1 54 6 6 GLU CA C 60.013 0.3 1 55 6 6 GLU CB C 29.145 0.3 1 56 6 6 GLU CG C 36.448 0.3 1 57 6 6 GLU N N 120.103 0.3 1 58 7 7 GLU H H 8.724 0.020 1 59 7 7 GLU HA H 3.997 0.020 1 60 7 7 GLU HB2 H 1.904 0.020 1 61 7 7 GLU HB3 H 1.904 0.020 1 62 7 7 GLU HG2 H 2.172 0.020 1 63 7 7 GLU HG3 H 2.172 0.020 1 64 7 7 GLU C C 179.217 0.3 1 65 7 7 GLU CA C 60.055 0.3 1 66 7 7 GLU CB C 29.030 0.3 1 67 7 7 GLU CG C 36.539 0.3 1 68 7 7 GLU N N 119.260 0.3 1 69 8 8 GLN H H 7.744 0.020 1 70 8 8 GLN HA H 3.722 0.020 1 71 8 8 GLN HB2 H 2.179 0.020 1 72 8 8 GLN HB3 H 2.179 0.020 1 73 8 8 GLN HG2 H 2.179 0.020 1 74 8 8 GLN HG3 H 2.179 0.020 1 75 8 8 GLN C C 177.577 0.3 1 76 8 8 GLN CA C 58.924 0.3 1 77 8 8 GLN CB C 29.473 0.3 1 78 8 8 GLN CG C 34.820 0.3 1 79 8 8 GLN N N 120.462 0.3 1 80 9 9 ILE H H 8.235 0.020 1 81 9 9 ILE HA H 3.394 0.020 1 82 9 9 ILE HB H 1.829 0.020 1 83 9 9 ILE HG12 H 0.912 0.020 1 84 9 9 ILE HG13 H 0.912 0.020 1 85 9 9 ILE HG2 H 1.106 0.020 1 86 9 9 ILE HD1 H 0.754 0.020 1 87 9 9 ILE C C 177.662 0.3 1 88 9 9 ILE CA C 66.576 0.3 1 89 9 9 ILE CB C 38.051 0.3 1 90 9 9 ILE CG1 C 30.443 0.3 1 91 9 9 ILE CG2 C 17.137 0.3 1 92 9 9 ILE CD1 C 13.256 0.3 1 93 9 9 ILE N N 118.346 0.3 1 94 10 10 ALA H H 7.921 0.020 1 95 10 10 ALA HA H 4.135 0.020 1 96 10 10 ALA HB H 1.493 0.020 1 97 10 10 ALA C C 180.769 0.3 1 98 10 10 ALA CA C 55.221 0.3 1 99 10 10 ALA CB C 17.940 0.3 1 100 10 10 ALA N N 120.345 0.3 1 101 11 11 GLU H H 7.801 0.020 1 102 11 11 GLU HA H 4.112 0.020 1 103 11 11 GLU HB2 H 2.090 0.020 1 104 11 11 GLU HB3 H 2.090 0.020 1 105 11 11 GLU C C 180.248 0.3 1 106 11 11 GLU CA C 59.480 0.3 1 107 11 11 GLU CB C 29.536 0.3 1 108 11 11 GLU CG C 35.562 0.3 1 109 11 11 GLU N N 120.105 0.3 1 110 12 12 PHE H H 8.838 0.020 1 111 12 12 PHE HA H 4.908 0.020 1 112 12 12 PHE HB2 H 3.728 0.020 2 113 12 12 PHE HB3 H 3.490 0.020 2 114 12 12 PHE HD1 H 7.138 0.020 1 115 12 12 PHE HD2 H 7.138 0.020 1 116 12 12 PHE HE1 H 7.258 0.020 1 117 12 12 PHE HE2 H 7.258 0.020 1 118 12 12 PHE C C 178.011 0.3 1 119 12 12 PHE CA C 58.138 0.3 1 120 12 12 PHE CB C 36.671 0.3 1 121 12 12 PHE CD1 C 130.648 0.3 1 122 12 12 PHE CE1 C 131.868 0.3 1 123 12 12 PHE N N 120.347 0.3 1 124 13 13 LYS H H 9.230 0.020 1 125 13 13 LYS HA H 3.725 0.020 1 126 13 13 LYS HB2 H 1.895 0.020 2 127 13 13 LYS HB3 H 1.792 0.020 2 128 13 13 LYS HG2 H 1.104 0.020 2 129 13 13 LYS HG3 H 0.741 0.020 2 130 13 13 LYS HD2 H 1.265 0.020 2 131 13 13 LYS HD3 H 1.148 0.020 2 132 13 13 LYS HE2 H 2.623 0.020 1 133 13 13 LYS HE3 H 2.623 0.020 1 134 13 13 LYS C C 179.303 0.3 1 135 13 13 LYS CA C 59.692 0.3 1 136 13 13 LYS CB C 32.025 0.3 1 137 13 13 LYS CG C 24.737 0.3 1 138 13 13 LYS CD C 28.353 0.3 1 139 13 13 LYS CE C 41.551 0.3 1 140 13 13 LYS N N 121.292 0.3 1 141 14 14 GLU H H 8.056 0.020 1 142 14 14 GLU HA H 4.018 0.020 1 143 14 14 GLU HB2 H 2.146 0.020 1 144 14 14 GLU HB3 H 2.146 0.020 1 145 14 14 GLU HG2 H 2.374 0.020 1 146 14 14 GLU HG3 H 2.374 0.020 1 147 14 14 GLU C C 178.811 0.3 1 148 14 14 GLU CA C 59.469 0.3 1 149 14 14 GLU CB C 29.540 0.3 1 150 14 14 GLU CG C 35.872 0.3 1 151 14 14 GLU N N 120.356 0.3 1 152 15 15 ALA H H 7.645 0.020 1 153 15 15 ALA HA H 4.306 0.020 1 154 15 15 ALA HB H 1.702 0.020 1 155 15 15 ALA C C 179.170 0.3 1 156 15 15 ALA CA C 54.975 0.3 1 157 15 15 ALA CB C 19.195 0.3 1 158 15 15 ALA N N 120.885 0.3 1 159 16 16 PHE H H 8.534 0.020 1 160 16 16 PHE HA H 3.729 0.020 1 161 16 16 PHE HB2 H 3.210 0.020 2 162 16 16 PHE HB3 H 2.891 0.020 2 163 16 16 PHE HD1 H 6.483 0.020 1 164 16 16 PHE HD2 H 6.483 0.020 1 165 16 16 PHE HE1 H 6.892 0.020 1 166 16 16 PHE HE2 H 6.892 0.020 1 167 16 16 PHE HZ H 7.417 0.020 1 168 16 16 PHE C C 177.493 0.3 1 169 16 16 PHE CA C 61.856 0.3 1 170 16 16 PHE CB C 40.780 0.3 1 171 16 16 PHE CD1 C 131.838 0.3 1 172 16 16 PHE CE1 C 131.404 0.3 1 173 16 16 PHE CZ C 130.782 0.3 1 174 16 16 PHE N N 117.796 0.3 1 175 17 17 SER H H 8.425 0.020 1 176 17 17 SER HA H 4.265 0.020 1 177 17 17 SER HB2 H 4.049 0.020 1 178 17 17 SER HB3 H 4.049 0.020 1 179 17 17 SER C C 175.852 0.3 1 180 17 17 SER CA C 61.798 0.3 1 181 17 17 SER CB C 63.265 0.3 1 182 17 17 SER N N 110.863 0.3 1 183 18 18 LEU H H 7.352 0.020 1 184 18 18 LEU HA H 3.930 0.020 1 185 18 18 LEU HB2 H 1.720 0.020 2 186 18 18 LEU HB3 H 1.124 0.020 2 187 18 18 LEU HG H 1.641 0.020 1 188 18 18 LEU HD1 H 0.890 0.020 1 189 18 18 LEU HD2 H 0.750 0.020 1 190 18 18 LEU C C 177.836 0.3 1 191 18 18 LEU CA C 56.901 0.3 1 192 18 18 LEU CB C 41.650 0.3 1 193 18 18 LEU CG C 26.506 0.3 1 194 18 18 LEU CD1 C 24.602 0.3 1 195 18 18 LEU CD2 C 23.035 0.3 1 196 18 18 LEU N N 121.010 0.3 1 197 19 19 PHE H H 7.393 0.020 1 198 19 19 PHE HA H 4.316 0.020 1 199 19 19 PHE HB2 H 3.177 0.020 2 200 19 19 PHE HB3 H 2.405 0.020 2 201 19 19 PHE HD1 H 7.299 0.020 1 202 19 19 PHE HD2 H 7.299 0.020 1 203 19 19 PHE HE1 H 7.295 0.020 1 204 19 19 PHE HE2 H 7.295 0.020 1 205 19 19 PHE HZ H 7.209 0.020 1 206 19 19 PHE C C 174.473 0.3 1 207 19 19 PHE CA C 58.196 0.3 1 208 19 19 PHE CB C 39.925 0.3 1 209 19 19 PHE CD1 C 132.355 0.3 1 210 19 19 PHE CE1 C 131.132 0.3 1 211 19 19 PHE CZ C 129.409 0.3 1 212 19 19 PHE N N 114.684 0.3 1 213 20 20 ASP H H 7.301 0.020 1 214 20 20 ASP HA H 4.939 0.020 1 215 20 20 ASP HB2 H 2.394 0.020 2 216 20 20 ASP HB3 H 2.834 0.020 2 217 20 20 ASP C C 176.973 0.3 1 218 20 20 ASP CA C 52.387 0.3 1 219 20 20 ASP CB C 39.851 0.3 1 220 20 20 ASP N N 122.374 0.3 1 221 21 21 LYS H H 8.084 0.020 1 222 21 21 LYS HA H 4.050 0.020 1 223 21 21 LYS HB2 H 1.880 0.020 1 224 21 21 LYS HB3 H 1.880 0.020 1 225 21 21 LYS HG2 H 1.471 0.020 1 226 21 21 LYS HG3 H 1.471 0.020 1 227 21 21 LYS HD2 H 1.689 0.020 1 228 21 21 LYS HD3 H 1.689 0.020 1 229 21 21 LYS HE2 H 2.997 0.020 1 230 21 21 LYS HE3 H 2.997 0.020 1 231 21 21 LYS C C 177.838 0.3 1 232 21 21 LYS CA C 58.489 0.3 1 233 21 21 LYS CB C 32.615 0.3 1 234 21 21 LYS CG C 24.385 0.3 1 235 21 21 LYS CD C 28.810 0.3 1 236 21 21 LYS CE C 41.782 0.3 1 237 21 21 LYS N N 123.575 0.3 1 238 22 22 ASP H H 8.731 0.020 1 239 22 22 ASP HA H 4.721 0.020 1 240 22 22 ASP HB2 H 2.760 0.020 2 241 22 22 ASP HB3 H 2.632 0.020 2 242 22 22 ASP C C 176.940 0.3 1 243 22 22 ASP CA C 54.639 0.3 1 244 22 22 ASP CB C 41.164 0.3 1 245 22 22 ASP N N 117.091 0.3 1 246 23 23 GLY H H 8.021 0.020 1 247 23 23 GLY HA2 H 3.856 0.020 2 248 23 23 GLY HA3 H 3.952 0.020 2 249 23 23 GLY C C 175.248 0.3 1 250 23 23 GLY CA C 46.877 0.3 1 251 23 23 GLY N N 110.212 0.3 1 252 24 24 ASP H H 8.776 0.020 1 253 24 24 ASP HA H 4.693 0.020 1 254 24 24 ASP HB2 H 2.931 0.020 2 255 24 24 ASP HB3 H 2.590 0.020 2 256 24 24 ASP C C 177.493 0.3 1 257 24 24 ASP CA C 53.498 0.3 1 258 24 24 ASP CB C 41.318 0.3 1 259 24 24 ASP N N 120.702 0.3 1 260 25 25 GLY H H 10.178 0.020 1 261 25 25 GLY HA2 H 3.866 0.020 2 262 25 25 GLY HA3 H 4.255 0.020 2 263 25 25 GLY C C 174.214 0.3 1 264 25 25 GLY CA C 45.757 0.3 1 265 25 25 GLY N N 111.816 0.3 1 266 26 26 THR H H 7.591 0.020 1 267 26 26 THR HA H 5.532 0.020 1 268 26 26 THR HB H 4.080 0.020 1 269 26 26 THR HG2 H 1.053 0.020 1 270 26 26 THR C C 172.830 0.3 1 271 26 26 THR CA C 59.647 0.3 1 272 26 26 THR CB C 73.059 0.3 1 273 26 26 THR CG2 C 21.555 0.3 1 274 26 26 THR N N 109.515 0.3 1 275 27 27 ILE H H 8.276 0.020 1 276 27 27 ILE HA H 4.779 0.020 1 277 27 27 ILE HB H 1.707 0.020 1 278 27 27 ILE HG12 H 1.090 0.020 2 279 27 27 ILE HG13 H 0.749 0.020 2 280 27 27 ILE HG2 H -0.118 0.020 1 281 27 27 ILE HD1 H 0.312 0.020 1 282 27 27 ILE C C 176.112 0.3 1 283 27 27 ILE CA C 59.240 0.3 1 284 27 27 ILE CB C 41.362 0.3 1 285 27 27 ILE CG1 C 24.785 0.3 1 286 27 27 ILE CG2 C 16.309 0.3 1 287 27 27 ILE CD1 C 13.736 0.3 1 288 27 27 ILE N N 110.393 0.3 1 289 28 28 THR H H 8.347 0.020 1 290 28 28 THR HA H 5.058 0.020 1 291 28 28 THR HB H 4.650 0.020 1 292 28 28 THR HG2 H 1.310 0.020 1 293 28 28 THR C C 176.968 0.3 1 294 28 28 THR CA C 60.381 0.3 1 295 28 28 THR CB C 70.730 0.3 1 296 28 28 THR CG2 C 21.867 0.3 1 297 28 28 THR N N 110.859 0.3 1 298 29 29 THR H H 8.318 0.020 1 299 29 29 THR HA H 3.738 0.020 1 300 29 29 THR HB H 4.222 0.020 1 301 29 29 THR HG2 H 1.147 0.020 1 302 29 29 THR C C 177.148 0.3 1 303 29 29 THR CA C 65.057 0.3 1 304 29 29 THR CB C 67.431 0.3 1 305 29 29 THR CG2 C 23.377 0.3 1 306 29 29 THR N N 112.524 0.3 1 307 30 30 LYS H H 7.670 0.020 1 308 30 30 LYS HA H 4.125 0.020 1 309 30 30 LYS HB2 H 1.823 0.020 1 310 30 30 LYS HB3 H 1.823 0.020 1 311 30 30 LYS HG2 H 1.492 0.020 1 312 30 30 LYS HG3 H 1.492 0.020 1 313 30 30 LYS HD2 H 1.674 0.020 1 314 30 30 LYS HD3 H 1.674 0.020 1 315 30 30 LYS C C 178.032 0.3 1 316 30 30 LYS CA C 58.407 0.3 1 317 30 30 LYS CB C 32.508 0.3 1 318 30 30 LYS CG C 24.817 0.3 1 319 30 30 LYS CD C 28.411 0.3 1 320 30 30 LYS CE C 41.737 0.3 1 321 30 30 LYS N N 118.959 0.3 1 322 31 31 GLU H H 7.528 0.020 1 323 31 31 GLU HA H 4.335 0.020 1 324 31 31 GLU HB2 H 1.770 0.020 2 325 31 31 GLU HB3 H 1.878 0.020 2 326 31 31 GLU HG2 H 2.191 0.020 1 327 31 31 GLU HG3 H 2.191 0.020 1 328 31 31 GLU C C 176.286 0.3 1 329 31 31 GLU CA C 56.019 0.3 1 330 31 31 GLU CB C 30.028 0.3 1 331 31 31 GLU CG C 36.457 0.3 1 332 31 31 GLU N N 117.563 0.3 1 333 32 32 LEU H H 7.357 0.020 1 334 32 32 LEU HA H 3.748 0.020 1 335 32 32 LEU HB2 H 1.786 0.020 1 336 32 32 LEU HB3 H 1.786 0.020 1 337 32 32 LEU HG H 1.259 0.020 1 338 32 32 LEU HD1 H 0.282 0.020 1 339 32 32 LEU HD2 H 0.247 0.020 1 340 32 32 LEU C C 178.179 0.3 1 341 32 32 LEU CA C 58.654 0.3 1 342 32 32 LEU CB C 41.680 0.3 1 343 32 32 LEU CG C 26.545 0.3 1 344 32 32 LEU N N 120.771 0.3 1 345 33 33 GLY H H 8.780 0.020 1 346 33 33 GLY HA2 H 3.490 0.020 2 347 33 33 GLY HA3 H 3.835 0.020 2 348 33 33 GLY C C 174.902 0.3 1 349 33 33 GLY CA C 47.999 0.3 1 350 33 33 GLY N N 105.441 0.3 1 351 34 34 THR H H 7.514 0.020 1 352 34 34 THR HA H 3.765 0.020 1 353 34 34 THR HB H 3.994 0.020 1 354 34 34 THR HG2 H 1.196 0.020 1 355 34 34 THR C C 177.310 0.3 1 356 34 34 THR CA C 66.031 0.3 1 357 34 34 THR CB C 68.048 0.3 1 358 34 34 THR CG2 C 23.138 0.3 1 359 34 34 THR N N 118.332 0.3 1 360 35 35 VAL H H 7.988 0.020 1 361 35 35 VAL HA H 3.339 0.020 1 362 35 35 VAL HB H 1.902 0.020 1 363 35 35 VAL HG1 H 0.694 0.020 1 364 35 35 VAL HG2 H 0.504 0.020 1 365 35 35 VAL C C 179.454 0.3 1 366 35 35 VAL CA C 66.398 0.3 1 367 35 35 VAL CB C 31.361 0.3 1 368 35 35 VAL CG1 C 21.949 0.3 1 369 35 35 VAL CG2 C 22.484 0.3 1 370 35 35 VAL N N 122.707 0.3 1 371 36 36 MET H H 8.470 0.020 1 372 36 36 MET HA H 4.016 0.020 1 373 36 36 MET HB2 H 2.065 0.020 2 374 36 36 MET HB3 H 1.827 0.020 2 375 36 36 MET HG2 H 2.793 0.020 2 376 36 36 MET HG3 H 2.468 0.020 2 377 36 36 MET HE H 1.836 0.020 1 378 36 36 MET C C 179.114 0.3 1 379 36 36 MET CA C 60.134 0.3 1 380 36 36 MET CB C 31.964 0.3 1 381 36 36 MET CG C 33.271 0.3 1 382 36 36 MET CE C 17.225 0.3 1 383 36 36 MET N N 118.452 0.3 1 384 37 37 ARG H H 8.524 0.020 1 385 37 37 ARG HA H 4.709 0.020 1 386 37 37 ARG HB2 H 1.887 0.020 1 387 37 37 ARG HB3 H 1.887 0.020 1 388 37 37 ARG HG2 H 1.730 0.020 1 389 37 37 ARG HG3 H 1.730 0.020 1 390 37 37 ARG HD2 H 3.060 0.020 1 391 37 37 ARG HD3 H 3.060 0.020 1 392 37 37 ARG C C 181.288 0.3 1 393 37 37 ARG CA C 59.105 0.3 1 394 37 37 ARG CB C 30.178 0.3 1 395 37 37 ARG CG C 29.275 0.3 1 396 37 37 ARG CD C 43.415 0.3 1 397 37 37 ARG N N 119.150 0.3 1 398 38 38 SER H H 8.120 0.020 1 399 38 38 SER HA H 4.446 0.020 1 400 38 38 SER HB2 H 4.198 0.020 1 401 38 38 SER HB3 H 4.198 0.020 1 402 38 38 SER C C 174.990 0.3 1 403 38 38 SER CA C 61.689 0.3 1 404 38 38 SER CB C 62.990 0.3 1 405 38 38 SER N N 118.978 0.3 1 406 39 39 LEU H H 7.346 0.020 1 407 39 39 LEU HA H 4.627 0.020 1 408 39 39 LEU HB2 H 1.860 0.020 1 409 39 39 LEU HB3 H 1.860 0.020 1 410 39 39 LEU HG H 0.988 0.020 1 411 39 39 LEU HD1 H 1.132 0.020 1 412 39 39 LEU HD2 H 1.132 0.020 1 413 39 39 LEU C C 177.318 0.3 1 414 39 39 LEU CA C 54.312 0.3 1 415 39 39 LEU CB C 42.766 0.3 1 416 39 39 LEU CG C 26.449 0.3 1 417 39 39 LEU N N 121.095 0.3 1 418 40 40 GLY H H 7.930 0.020 1 419 40 40 GLY HA2 H 3.870 0.020 2 420 40 40 GLY HA3 H 4.267 0.020 2 421 40 40 GLY C C 174.385 0.3 1 422 40 40 GLY CA C 45.662 0.3 1 423 40 40 GLY N N 107.102 0.3 1 424 41 41 GLN H H 7.774 0.020 1 425 41 41 GLN HA H 4.436 0.020 1 426 41 41 GLN HB2 H 2.043 0.020 1 427 41 41 GLN HB3 H 2.043 0.020 1 428 41 41 GLN HG2 H 2.191 0.020 2 429 41 41 GLN HG3 H 2.072 0.020 2 430 41 41 GLN C C 174.039 0.3 1 431 41 41 GLN CA C 53.868 0.3 1 432 41 41 GLN CB C 30.187 0.3 1 433 41 41 GLN CG C 33.063 0.3 1 434 41 41 GLN N N 117.659 0.3 1 435 42 42 ASN H H 8.680 0.020 1 436 42 42 ASN HA H 5.189 0.020 1 437 42 42 ASN HB2 H 2.525 0.020 2 438 42 42 ASN HB3 H 2.758 0.020 2 439 42 42 ASN C C 172.330 0.3 1 440 42 42 ASN CA C 51.037 0.3 1 441 42 42 ASN CB C 39.074 0.3 1 442 42 42 ASN N N 116.553 0.3 1 443 43 43 PRO HA H 4.739 0.020 1 444 43 43 PRO HB2 H 2.056 0.020 2 445 43 43 PRO HB3 H 1.951 0.020 2 446 43 43 PRO HG2 H 1.968 0.020 1 447 43 43 PRO HG3 H 1.968 0.020 1 448 43 43 PRO HD2 H 3.683 0.020 2 449 43 43 PRO HD3 H 3.294 0.020 2 450 43 43 PRO C C 177.665 0.3 1 451 43 43 PRO CA C 62.307 0.3 1 452 43 43 PRO CB C 31.923 0.3 1 453 43 43 PRO CG C 27.351 0.3 1 454 43 43 PRO CD C 49.816 0.3 1 455 44 44 THR H H 8.784 0.020 1 456 44 44 THR HA H 4.381 0.020 1 457 44 44 THR HB H 4.712 0.020 1 458 44 44 THR HG2 H 1.332 0.020 1 459 44 44 THR C C 175.075 0.3 1 460 44 44 THR CA C 60.643 0.3 1 461 44 44 THR CB C 71.181 0.3 1 462 44 44 THR CG2 C 21.685 0.3 1 463 44 44 THR N N 113.231 0.3 1 464 45 45 GLU H H 8.844 0.020 1 465 45 45 GLU HA H 4.049 0.020 1 466 45 45 GLU HB2 H 2.030 0.020 1 467 45 45 GLU HB3 H 2.030 0.020 1 468 45 45 GLU HG2 H 2.360 0.020 1 469 45 45 GLU HG3 H 2.360 0.020 1 470 45 45 GLU C C 179.333 0.3 1 471 45 45 GLU CA C 59.885 0.3 1 472 45 45 GLU CB C 29.069 0.3 1 473 45 45 GLU CG C 36.471 0.3 1 474 45 45 GLU N N 120.381 0.3 1 475 46 46 ALA H H 8.310 0.020 1 476 46 46 ALA HA H 4.079 0.020 1 477 46 46 ALA HB H 1.374 0.020 1 478 46 46 ALA C C 180.080 0.3 1 479 46 46 ALA CA C 55.357 0.3 1 480 46 46 ALA CB C 18.476 0.3 1 481 46 46 ALA N N 120.921 0.3 1 482 47 47 GLU H H 7.743 0.020 1 483 47 47 GLU HA H 4.025 0.020 1 484 47 47 GLU HB2 H 2.261 0.020 1 485 47 47 GLU HB3 H 2.261 0.020 1 486 47 47 GLU C C 179.907 0.3 1 487 47 47 GLU CA C 58.608 0.3 1 488 47 47 GLU CB C 30.259 0.3 1 489 47 47 GLU CG C 36.975 0.3 1 490 47 47 GLU N N 118.684 0.3 1 491 48 48 LEU H H 8.267 0.020 1 492 48 48 LEU HA H 4.058 0.020 1 493 48 48 LEU HB2 H 1.836 0.020 2 494 48 48 LEU HB3 H 1.422 0.020 2 495 48 48 LEU HD1 H 0.819 0.020 1 496 48 48 LEU HD2 H 0.819 0.020 1 497 48 48 LEU C C 178.530 0.3 1 498 48 48 LEU CA C 57.979 0.3 1 499 48 48 LEU CB C 41.784 0.3 1 500 48 48 LEU N N 119.963 0.3 1 501 49 49 GLN H H 8.024 0.020 1 502 49 49 GLN HA H 3.944 0.020 1 503 49 49 GLN HB2 H 2.140 0.020 1 504 49 49 GLN HB3 H 2.140 0.020 1 505 49 49 GLN HG2 H 2.462 0.020 1 506 49 49 GLN HG3 H 2.462 0.020 1 507 49 49 GLN C C 178.175 0.3 1 508 49 49 GLN CA C 58.870 0.3 1 509 49 49 GLN CB C 27.677 0.3 1 510 49 49 GLN CG C 33.719 0.3 1 511 49 49 GLN N N 117.114 0.3 1 512 50 50 ASP H H 7.738 0.020 1 513 50 50 ASP HA H 4.446 0.020 1 514 50 50 ASP HB2 H 2.609 0.020 2 515 50 50 ASP HB3 H 2.742 0.020 2 516 50 50 ASP C C 179.158 0.3 1 517 50 50 ASP CA C 57.026 0.3 1 518 50 50 ASP CB C 40.380 0.3 1 519 50 50 ASP N N 118.192 0.3 1 520 51 51 MET H H 7.928 0.020 1 521 51 51 MET HA H 4.090 0.020 1 522 51 51 MET HB2 H 2.286 0.020 2 523 51 51 MET HB3 H 2.107 0.020 2 524 51 51 MET HG2 H 2.632 0.020 1 525 51 51 MET HG3 H 2.632 0.020 1 526 51 51 MET HE H 1.970 0.020 1 527 51 51 MET C C 179.158 0.3 1 528 51 51 MET CA C 58.965 0.3 1 529 51 51 MET CB C 34.171 0.3 1 530 51 51 MET CG C 32.733 0.3 1 531 51 51 MET CE C 17.291 0.3 1 532 51 51 MET N N 118.809 0.3 1 533 52 52 ILE H H 8.055 0.020 1 534 52 52 ILE HA H 3.566 0.020 1 535 52 52 ILE HB H 1.913 0.020 1 536 52 52 ILE HG2 H 0.901 0.020 1 537 52 52 ILE HD1 H 0.819 0.020 1 538 52 52 ILE C C 178.699 0.3 1 539 52 52 ILE CA C 64.729 0.3 1 540 52 52 ILE CB C 37.881 0.3 1 541 52 52 ILE CG1 C 29.610 0.3 1 542 52 52 ILE CG2 C 17.514 0.3 1 543 52 52 ILE CD1 C 13.425 0.3 1 544 52 52 ILE N N 117.841 0.3 1 545 53 53 ILE H H 7.849 0.020 1 546 53 53 ILE HA H 3.876 0.020 1 547 53 53 ILE HB H 1.944 0.020 1 548 53 53 ILE HG12 H 1.279 0.020 2 549 53 53 ILE HG13 H 1.645 0.020 2 550 53 53 ILE HG2 H 0.938 0.020 1 551 53 53 ILE HD1 H 0.879 0.020 1 552 53 53 ILE C C 177.041 0.3 1 553 53 53 ILE CA C 63.727 0.3 1 554 53 53 ILE CB C 37.915 0.3 1 555 53 53 ILE CG1 C 28.991 0.3 1 556 53 53 ILE CG2 C 17.375 0.3 1 557 53 53 ILE CD1 C 13.217 0.3 1 558 53 53 ILE N N 119.245 0.3 1 559 54 54 GLU H H 7.515 0.020 1 560 54 54 GLU HA H 4.082 0.020 1 561 54 54 GLU HB2 H 2.082 0.020 1 562 54 54 GLU HB3 H 2.082 0.020 1 563 54 54 GLU HG2 H 2.376 0.020 1 564 54 54 GLU HG3 H 2.376 0.020 1 565 54 54 GLU C C 178.011 0.3 1 566 54 54 GLU CA C 58.392 0.3 1 567 54 54 GLU CB C 30.143 0.3 1 568 54 54 GLU CG C 36.075 0.3 1 569 54 54 GLU N N 118.129 0.3 1 570 55 55 VAL H H 7.670 0.020 1 571 55 55 VAL HA H 4.318 0.020 1 572 55 55 VAL HB H 2.233 0.020 1 573 55 55 VAL HG1 H 0.969 0.020 1 574 55 55 VAL HG2 H 0.969 0.020 1 575 55 55 VAL C C 175.933 0.3 1 576 55 55 VAL CA C 62.373 0.3 1 577 55 55 VAL CB C 33.152 0.3 1 578 55 55 VAL CG1 C 21.531 0.3 1 579 55 55 VAL CG2 C 20.482 0.3 1 580 55 55 VAL N N 113.053 0.3 1 581 56 56 ASP H H 8.388 0.020 1 582 56 56 ASP HA H 4.931 0.020 1 583 56 56 ASP HB2 H 2.805 0.020 2 584 56 56 ASP HB3 H 2.460 0.020 2 585 56 56 ASP C C 177.056 0.3 1 586 56 56 ASP CA C 53.482 0.3 1 587 56 56 ASP CB C 40.605 0.3 1 588 56 56 ASP N N 121.914 0.3 1 589 57 57 ALA H H 8.185 0.020 1 590 57 57 ALA HA H 4.210 0.020 1 591 57 57 ALA HB H 1.440 0.020 1 592 57 57 ALA C C 179.185 0.3 1 593 57 57 ALA CA C 54.406 0.3 1 594 57 57 ALA CB C 18.293 0.3 1 595 57 57 ALA N N 124.566 0.3 1 596 58 58 ASP H H 8.414 0.020 1 597 58 58 ASP HA H 4.686 0.020 1 598 58 58 ASP HB2 H 2.750 0.020 2 599 58 58 ASP HB3 H 2.621 0.020 2 600 58 58 ASP C C 177.036 0.3 1 601 58 58 ASP CA C 54.380 0.3 1 602 58 58 ASP CB C 41.246 0.3 1 603 58 58 ASP N N 114.926 0.3 1 604 59 59 GLY H H 7.947 0.020 1 605 59 59 GLY HA2 H 3.858 0.020 2 606 59 59 GLY HA3 H 3.917 0.020 2 607 59 59 GLY C C 175.633 0.3 1 608 59 59 GLY CA C 46.382 0.3 1 609 59 59 GLY N N 108.967 0.3 1 610 60 60 ASN H H 9.107 0.020 1 611 60 60 ASN HA H 4.713 0.020 1 612 60 60 ASN HB2 H 2.895 0.020 1 613 60 60 ASN HB3 H 2.895 0.020 1 614 60 60 ASN C C 177.221 0.3 1 615 60 60 ASN CA C 54.045 0.3 1 616 60 60 ASN CB C 39.323 0.3 1 617 60 60 ASN N N 119.498 0.3 1 618 61 61 GLY H H 9.785 0.020 1 619 61 61 GLY HA2 H 3.923 0.020 2 620 61 61 GLY HA3 H 4.102 0.020 2 621 61 61 GLY C C 174.769 0.3 1 622 61 61 GLY CA C 45.898 0.3 1 623 61 61 GLY N N 110.146 0.3 1 624 62 62 THR H H 7.674 0.020 1 625 62 62 THR HA H 5.180 0.020 1 626 62 62 THR HB H 4.078 0.020 1 627 62 62 THR HG2 H 1.074 0.020 1 628 62 62 THR C C 172.984 0.3 1 629 62 62 THR CA C 59.649 0.3 1 630 62 62 THR CB C 72.654 0.3 1 631 62 62 THR CG2 C 21.761 0.3 1 632 62 62 THR N N 111.094 0.3 1 633 63 63 ILE H H 8.929 0.020 1 634 63 63 ILE HA H 4.608 0.020 1 635 63 63 ILE HB H 1.801 0.020 1 636 63 63 ILE HG12 H 1.530 0.020 2 637 63 63 ILE HG13 H 1.084 0.020 2 638 63 63 ILE HG2 H 1.102 0.020 1 639 63 63 ILE HD1 H 0.869 0.020 1 640 63 63 ILE C C 174.614 0.3 1 641 63 63 ILE CA C 59.702 0.3 1 642 63 63 ILE CB C 41.471 0.3 1 643 63 63 ILE CG1 C 27.187 0.3 1 644 63 63 ILE CG2 C 17.802 0.3 1 645 63 63 ILE CD1 C 15.332 0.3 1 646 63 63 ILE N N 118.906 0.3 1 647 64 64 ASP H H 8.441 0.020 1 648 64 64 ASP HA H 5.587 0.020 1 649 64 64 ASP HB2 H 3.225 0.020 2 650 64 64 ASP HB3 H 2.755 0.020 2 651 64 64 ASP C C 176.243 0.3 1 652 64 64 ASP CA C 51.693 0.3 1 653 64 64 ASP CB C 41.756 0.3 1 654 64 64 ASP N N 124.256 0.3 1 655 65 65 PHE H H 8.664 0.020 1 656 65 65 PHE HA H 3.814 0.020 1 657 65 65 PHE HB2 H 2.970 0.020 1 658 65 65 PHE HD1 H 6.494 0.020 1 659 65 65 PHE HD2 H 6.494 0.020 1 660 65 65 PHE HE1 H 7.149 0.020 1 661 65 65 PHE HE2 H 7.149 0.020 1 662 65 65 PHE HZ H 7.418 0.020 1 663 65 65 PHE C C 173.890 0.3 1 664 65 65 PHE CA C 62.834 0.3 1 665 65 65 PHE CB C 36.315 0.3 1 666 65 65 PHE CD1 C 132.062 0.3 1 667 65 65 PHE CE1 C 131.392 0.3 1 668 65 65 PHE CZ C 129.527 0.3 1 669 65 65 PHE N N 118.628 0.3 1 670 66 66 PRO HA H 3.887 0.020 1 671 66 66 PRO HB2 H 2.226 0.020 2 672 66 66 PRO HB3 H 1.880 0.020 2 673 66 66 PRO HG2 H 1.896 0.020 1 674 66 66 PRO HG3 H 1.896 0.020 1 675 66 66 PRO HD2 H 3.834 0.020 2 676 66 66 PRO HD3 H 3.796 0.020 2 677 66 66 PRO C C 180.096 0.3 1 678 66 66 PRO CA C 66.427 0.3 1 679 66 66 PRO CB C 30.368 0.3 1 680 66 66 PRO CG C 28.489 0.3 1 681 66 66 PRO CD C 49.360 0.3 1 682 67 67 GLU H H 8.097 0.020 1 683 67 67 GLU HA H 4.039 0.020 1 684 67 67 GLU HB2 H 2.524 0.020 2 685 67 67 GLU HB3 H 1.962 0.020 2 686 67 67 GLU HG2 H 2.374 0.020 1 687 67 67 GLU HG3 H 2.374 0.020 1 688 67 67 GLU C C 179.105 0.3 1 689 67 67 GLU CA C 59.069 0.3 1 690 67 67 GLU CB C 28.978 0.3 1 691 67 67 GLU CG C 34.991 0.3 1 692 67 67 GLU N N 117.642 0.3 1 693 68 68 PHE H H 8.491 0.020 1 694 68 68 PHE HA H 4.092 0.020 1 695 68 68 PHE HB2 H 3.170 0.020 1 696 68 68 PHE HB3 H 3.170 0.020 1 697 68 68 PHE HD1 H 6.934 0.020 1 698 68 68 PHE HD2 H 6.934 0.020 1 699 68 68 PHE HE1 H 7.089 0.020 1 700 68 68 PHE HE2 H 7.089 0.020 1 701 68 68 PHE HZ H 7.036 0.020 1 702 68 68 PHE C C 176.955 0.3 1 703 68 68 PHE CA C 61.408 0.3 1 704 68 68 PHE CB C 39.506 0.3 1 705 68 68 PHE CD1 C 131.428 0.3 1 706 68 68 PHE CE1 C 130.102 0.3 1 707 68 68 PHE CZ C 130.002 0.3 1 708 68 68 PHE N N 122.463 0.3 1 709 69 69 LEU H H 8.467 0.020 1 710 69 69 LEU HA H 3.350 0.020 1 711 69 69 LEU HB2 H 1.473 0.020 2 712 69 69 LEU HB3 H 1.200 0.020 2 713 69 69 LEU HG H 0.933 0.020 1 714 69 69 LEU HD1 H 0.727 0.020 1 715 69 69 LEU HD2 H 0.727 0.020 1 716 69 69 LEU C C 179.566 0.3 1 717 69 69 LEU CA C 57.722 0.3 1 718 69 69 LEU CB C 40.991 0.3 1 719 69 69 LEU CG C 25.587 0.3 1 720 69 69 LEU CD1 C 24.259 0.3 1 721 69 69 LEU CD2 C 25.519 0.3 1 722 69 69 LEU N N 118.558 0.3 1 723 70 70 THR H H 7.733 0.020 1 724 70 70 THR HA H 3.782 0.020 1 725 70 70 THR HB H 4.284 0.020 1 726 70 70 THR HG2 H 1.225 0.020 1 727 70 70 THR C C 176.823 0.3 1 728 70 70 THR CA C 66.257 0.3 1 729 70 70 THR CB C 68.394 0.3 1 730 70 70 THR CG2 C 21.414 0.3 1 731 70 70 THR N N 115.496 0.3 1 732 71 71 MET H H 7.759 0.020 1 733 71 71 MET HA H 3.962 0.020 1 734 71 71 MET HB2 H 2.200 0.020 2 735 71 71 MET HB3 H 2.069 0.020 2 736 71 71 MET HG2 H 2.647 0.020 2 737 71 71 MET HG3 H 2.376 0.020 2 738 71 71 MET HE H 1.946 0.020 1 739 71 71 MET C C 178.755 0.3 1 740 71 71 MET CA C 59.486 0.3 1 741 71 71 MET CB C 32.482 0.3 1 742 71 71 MET CG C 32.482 0.3 1 743 71 71 MET CE C 17.291 0.3 1 744 71 71 MET N N 121.165 0.3 1 745 72 72 MET H H 8.034 0.020 1 746 72 72 MET HA H 3.999 0.020 1 747 72 72 MET HB2 H 1.483 0.020 1 748 72 72 MET HB3 H 1.483 0.020 1 749 72 72 MET HG2 H 1.140 0.020 2 750 72 72 MET HG3 H 1.007 0.020 2 751 72 72 MET HE H 1.919 0.020 1 752 72 72 MET C C 178.715 0.3 1 753 72 72 MET CA C 55.801 0.3 1 754 72 72 MET CB C 30.806 0.3 1 755 72 72 MET CG C 32.050 0.3 1 756 72 72 MET CE C 18.282 0.3 1 757 72 72 MET N N 117.526 0.3 1 758 73 73 ALA H H 8.299 0.020 1 759 73 73 ALA HA H 4.007 0.020 1 760 73 73 ALA HB H 1.386 0.020 1 761 73 73 ALA C C 179.827 0.3 1 762 73 73 ALA CA C 54.745 0.3 1 763 73 73 ALA CB C 17.203 0.3 1 764 73 73 ALA N N 121.024 0.3 1 765 74 74 ARG H H 7.471 0.020 1 766 74 74 ARG HA H 4.037 0.020 1 767 74 74 ARG HB2 H 1.913 0.020 1 768 74 74 ARG HB3 H 1.913 0.020 1 769 74 74 ARG HG2 H 1.777 0.020 2 770 74 74 ARG HG3 H 1.617 0.020 2 771 74 74 ARG HD2 H 3.144 0.020 1 772 74 74 ARG HD3 H 3.144 0.020 1 773 74 74 ARG C C 178.241 0.3 1 774 74 74 ARG CA C 58.734 0.3 1 775 74 74 ARG CB C 30.122 0.3 1 776 74 74 ARG CG C 27.255 0.3 1 777 74 74 ARG CD C 43.477 0.3 1 778 74 74 ARG N N 116.736 0.3 1 779 75 75 LYS H H 7.728 0.020 1 780 75 75 LYS HA H 4.197 0.020 1 781 75 75 LYS HB2 H 1.902 0.020 2 782 75 75 LYS HB3 H 1.786 0.020 2 783 75 75 LYS HG2 H 1.433 0.020 1 784 75 75 LYS HG3 H 1.433 0.020 1 785 75 75 LYS HD2 H 1.679 0.020 1 786 75 75 LYS HD3 H 1.679 0.020 1 787 75 75 LYS HE2 H 2.930 0.020 2 788 75 75 LYS HE3 H 2.804 0.020 2 789 75 75 LYS C C 177.976 0.3 1 790 75 75 LYS CA C 56.605 0.3 1 791 75 75 LYS CB C 31.605 0.3 1 792 75 75 LYS CG C 24.170 0.3 1 793 75 75 LYS CD C 27.895 0.3 1 794 75 75 LYS CE C 41.371 0.3 1 795 75 75 LYS N N 118.196 0.3 1 796 76 76 MET H H 7.947 0.020 1 797 76 76 MET HA H 4.288 0.020 1 798 76 76 MET HB2 H 2.222 0.020 2 799 76 76 MET HB3 H 2.056 0.020 2 800 76 76 MET HG2 H 2.636 0.020 2 801 76 76 MET HG3 H 2.578 0.020 2 802 76 76 MET HE H 3.006 0.020 1 803 76 76 MET C C 176.742 0.3 1 804 76 76 MET CA C 56.532 0.3 1 805 76 76 MET CB C 33.049 0.3 1 806 76 76 MET CG C 32.223 0.3 1 807 76 76 MET CE C 17.539 0.3 1 808 76 76 MET N N 117.802 0.3 1 809 77 77 LYS H H 7.732 0.020 1 810 77 77 LYS HA H 4.260 0.020 1 811 77 77 LYS HB2 H 1.844 0.020 1 812 77 77 LYS HB3 H 1.844 0.020 1 813 77 77 LYS HG2 H 1.459 0.020 1 814 77 77 LYS HG3 H 1.459 0.020 1 815 77 77 LYS HD2 H 1.675 0.020 1 816 77 77 LYS HD3 H 1.675 0.020 1 817 77 77 LYS HE2 H 2.977 0.020 1 818 77 77 LYS HE3 H 2.977 0.020 1 819 77 77 LYS C C 176.847 0.3 1 820 77 77 LYS CA C 56.869 0.3 1 821 77 77 LYS CB C 32.851 0.3 1 822 77 77 LYS CG C 24.447 0.3 1 823 77 77 LYS CD C 29.023 0.3 1 824 77 77 LYS CE C 40.459 0.3 1 825 77 77 LYS N N 120.576 0.3 1 826 78 78 ASP H H 8.336 0.020 1 827 78 78 ASP HA H 4.700 0.020 1 828 78 78 ASP HB2 H 2.718 0.020 1 829 78 78 ASP HB3 H 2.718 0.020 1 830 78 78 ASP C C 176.946 0.3 1 831 78 78 ASP CA C 54.707 0.3 1 832 78 78 ASP CB C 40.976 0.3 1 833 78 78 ASP N N 121.981 0.3 1 834 79 79 THR H H 8.168 0.020 1 835 79 79 THR HA H 4.301 0.020 1 836 79 79 THR HB H 4.295 0.020 1 837 79 79 THR HG2 H 1.184 0.020 1 838 79 79 THR C C 174.802 0.3 1 839 79 79 THR CA C 62.541 0.3 1 840 79 79 THR CB C 69.540 0.3 1 841 79 79 THR CG2 C 21.464 0.3 1 842 79 79 THR N N 114.876 0.3 1 843 80 80 ASP H H 8.462 0.020 1 844 80 80 ASP HA H 4.689 0.020 1 845 80 80 ASP HB2 H 2.686 0.020 1 846 80 80 ASP HB3 H 2.686 0.020 1 847 80 80 ASP C C 177.089 0.3 1 848 80 80 ASP CA C 54.820 0.3 1 849 80 80 ASP CB C 41.324 0.3 1 850 80 80 ASP N N 123.134 0.3 1 851 81 81 SER H H 8.467 0.020 1 852 81 81 SER HA H 4.395 0.020 1 853 81 81 SER HB2 H 4.044 0.020 2 854 81 81 SER HB3 H 3.956 0.020 2 855 81 81 SER C C 175.650 0.3 1 856 81 81 SER CA C 60.086 0.3 1 857 81 81 SER CB C 63.470 0.3 1 858 81 81 SER N N 117.194 0.3 1 859 82 82 GLU H H 8.438 0.020 1 860 82 82 GLU HA H 3.988 0.020 1 861 82 82 GLU HB2 H 2.097 0.020 2 862 82 82 GLU HB3 H 2.027 0.020 2 863 82 82 GLU HG2 H 2.308 0.020 1 864 82 82 GLU HG3 H 2.308 0.020 1 865 82 82 GLU C C 177.796 0.3 1 866 82 82 GLU CA C 59.456 0.3 1 867 82 82 GLU CB C 29.975 0.3 1 868 82 82 GLU CG C 36.602 0.3 1 869 82 82 GLU N N 121.862 0.3 1 870 83 83 GLU H H 8.182 0.020 1 871 83 83 GLU HA H 4.106 0.020 1 872 83 83 GLU HB2 H 2.028 0.020 1 873 83 83 GLU HB3 H 2.028 0.020 1 874 83 83 GLU HG2 H 2.371 0.020 1 875 83 83 GLU HG3 H 2.371 0.020 1 876 83 83 GLU C C 178.459 0.3 1 877 83 83 GLU CA C 58.790 0.3 1 878 83 83 GLU CB C 29.592 0.3 1 879 83 83 GLU CG C 35.719 0.3 1 880 83 83 GLU N N 118.503 0.3 1 881 84 84 GLU H H 8.026 0.020 1 882 84 84 GLU HA H 4.021 0.020 1 883 84 84 GLU HB2 H 2.029 0.020 1 884 84 84 GLU HB3 H 2.029 0.020 1 885 84 84 GLU HG2 H 2.303 0.020 2 886 84 84 GLU HG3 H 2.366 0.020 2 887 84 84 GLU C C 179.544 0.3 1 888 84 84 GLU CA C 59.494 0.3 1 889 84 84 GLU CB C 29.150 0.3 1 890 84 84 GLU CG C 36.471 0.3 1 891 84 84 GLU N N 119.165 0.3 1 892 85 85 ILE H H 7.949 0.020 1 893 85 85 ILE HA H 3.643 0.020 1 894 85 85 ILE HB H 1.914 0.020 1 895 85 85 ILE HG12 H 1.693 0.020 2 896 85 85 ILE HG13 H 1.038 0.020 2 897 85 85 ILE HG2 H 0.953 0.020 1 898 85 85 ILE HD1 H 0.803 0.020 1 899 85 85 ILE C C 177.218 0.3 1 900 85 85 ILE CA C 64.546 0.3 1 901 85 85 ILE CB C 37.801 0.3 1 902 85 85 ILE CG1 C 29.043 0.3 1 903 85 85 ILE CG2 C 18.945 0.3 1 904 85 85 ILE CD1 C 13.437 0.3 1 905 85 85 ILE N N 120.293 0.3 1 906 86 86 ARG H H 8.369 0.020 1 907 86 86 ARG HA H 3.945 0.020 1 908 86 86 ARG HB2 H 1.800 0.020 1 909 86 86 ARG HB3 H 1.800 0.020 1 910 86 86 ARG C C 177.719 0.3 1 911 86 86 ARG CA C 61.201 0.3 1 912 86 86 ARG CB C 29.482 0.3 1 913 86 86 ARG CD C 41.312 0.3 1 914 86 86 ARG N N 119.306 0.3 1 915 87 87 GLU H H 8.405 0.020 1 916 87 87 GLU HA H 3.967 0.020 1 917 87 87 GLU HB2 H 2.066 0.020 2 918 87 87 GLU HB3 H 1.983 0.020 2 919 87 87 GLU HG2 H 2.365 0.020 2 920 87 87 GLU HG3 H 2.292 0.020 2 921 87 87 GLU C C 177.998 0.3 1 922 87 87 GLU CA C 58.688 0.3 1 923 87 87 GLU CB C 29.145 0.3 1 924 87 87 GLU CG C 36.120 0.3 1 925 87 87 GLU N N 116.982 0.3 1 926 88 88 ALA H H 7.522 0.020 1 927 88 88 ALA HA H 4.067 0.020 1 928 88 88 ALA HB H 1.375 0.020 1 929 88 88 ALA C C 179.731 0.3 1 930 88 88 ALA CA C 54.709 0.3 1 931 88 88 ALA CB C 18.470 0.3 1 932 88 88 ALA N N 121.312 0.3 1 933 89 89 PHE H H 7.496 0.020 1 934 89 89 PHE HA H 4.245 0.020 1 935 89 89 PHE HD1 H 7.020 0.020 1 936 89 89 PHE HD2 H 7.020 0.020 1 937 89 89 PHE HE1 H 7.118 0.020 1 938 89 89 PHE HE2 H 7.118 0.020 1 939 89 89 PHE HZ H 7.072 0.020 1 940 89 89 PHE C C 178.023 0.3 1 941 89 89 PHE CA C 60.224 0.3 1 942 89 89 PHE CB C 39.318 0.3 1 943 89 89 PHE CD1 C 131.672 0.3 1 944 89 89 PHE CE1 C 131.720 0.3 1 945 89 89 PHE CZ C 129.373 0.3 1 946 89 89 PHE N N 114.242 0.3 1 947 90 90 ARG H H 8.234 0.020 1 948 90 90 ARG HA H 3.797 0.020 1 949 90 90 ARG HB2 H 1.907 0.020 1 950 90 90 ARG HB3 H 1.907 0.020 1 951 90 90 ARG HG2 H 2.380 0.020 1 952 90 90 ARG HG3 H 2.380 0.020 1 953 90 90 ARG HD2 H 3.239 0.020 1 954 90 90 ARG HD3 H 3.239 0.020 1 955 90 90 ARG C C 178.397 0.3 1 956 90 90 ARG CA C 58.911 0.3 1 957 90 90 ARG CB C 30.755 0.3 1 958 90 90 ARG CG C 27.706 0.3 1 959 90 90 ARG CD C 43.450 0.3 1 960 90 90 ARG N N 117.975 0.3 1 961 91 91 VAL H H 7.176 0.020 1 962 91 91 VAL HA H 3.546 0.020 1 963 91 91 VAL HB H 1.707 0.020 1 964 91 91 VAL HG1 H 0.813 0.020 1 965 91 91 VAL HG2 H 0.359 0.020 1 966 91 91 VAL C C 176.928 0.3 1 967 91 91 VAL CA C 65.172 0.3 1 968 91 91 VAL CB C 31.896 0.3 1 969 91 91 VAL CG1 C 21.678 0.3 1 970 91 91 VAL CG2 C 20.539 0.3 1 971 91 91 VAL N N 117.002 0.3 1 972 92 92 PHE H H 7.353 0.020 1 973 92 92 PHE HA H 4.455 0.020 1 974 92 92 PHE HB2 H 2.759 0.020 1 975 92 92 PHE HB3 H 2.759 0.020 1 976 92 92 PHE HD1 H 7.269 0.020 1 977 92 92 PHE HD2 H 7.269 0.020 1 978 92 92 PHE HE1 H 7.100 0.020 1 979 92 92 PHE HE2 H 7.100 0.020 1 980 92 92 PHE HZ H 7.046 0.020 1 981 92 92 PHE C C 175.191 0.3 1 982 92 92 PHE CA C 58.729 0.3 1 983 92 92 PHE CB C 39.739 0.3 1 984 92 92 PHE CD1 C 131.420 0.3 1 985 92 92 PHE CE1 C 129.536 0.3 1 986 92 92 PHE CZ C 129.044 0.3 1 987 92 92 PHE N N 115.865 0.3 1 988 93 93 ASP H H 7.840 0.020 1 989 93 93 ASP HA H 5.042 0.020 1 990 93 93 ASP HB2 H 3.170 0.020 2 991 93 93 ASP HB3 H 2.554 0.020 2 992 93 93 ASP C C 176.662 0.3 1 993 93 93 ASP CA C 52.327 0.3 1 994 93 93 ASP CB C 40.069 0.3 1 995 93 93 ASP N N 121.358 0.3 1 996 94 94 LYS H H 8.421 0.020 1 997 94 94 LYS HA H 4.100 0.020 1 998 94 94 LYS HB2 H 1.871 0.020 1 999 94 94 LYS HB3 H 1.871 0.020 1 1000 94 94 LYS HG2 H 1.560 0.020 1 1001 94 94 LYS HG3 H 1.560 0.020 1 1002 94 94 LYS HD2 H 1.715 0.020 1 1003 94 94 LYS HD3 H 1.715 0.020 1 1004 94 94 LYS HE2 H 3.061 0.020 1 1005 94 94 LYS HE3 H 3.061 0.020 1 1006 94 94 LYS C C 178.326 0.3 1 1007 94 94 LYS CA C 59.091 0.3 1 1008 94 94 LYS CB C 32.310 0.3 1 1009 94 94 LYS CG C 24.544 0.3 1 1010 94 94 LYS CD C 28.641 0.3 1 1011 94 94 LYS CE C 41.740 0.3 1 1012 94 94 LYS N N 124.327 0.3 1 1013 95 95 ASP H H 8.615 0.020 1 1014 95 95 ASP HA H 4.770 0.020 1 1015 95 95 ASP HB2 H 2.724 0.020 1 1016 95 95 ASP HB3 H 2.724 0.020 1 1017 95 95 ASP C C 176.999 0.3 1 1018 95 95 ASP CA C 54.044 0.3 1 1019 95 95 ASP CB C 41.157 0.3 1 1020 95 95 ASP N N 116.349 0.3 1 1021 96 96 GLY H H 8.066 0.020 1 1022 96 96 GLY HA2 H 3.747 0.020 2 1023 96 96 GLY HA3 H 3.925 0.020 2 1024 96 96 GLY C C 175.409 0.3 1 1025 96 96 GLY CA C 46.669 0.3 1 1026 96 96 GLY N N 110.071 0.3 1 1027 97 97 ASN H H 9.029 0.020 1 1028 97 97 ASN HA H 4.787 0.020 1 1029 97 97 ASN HB2 H 3.002 0.020 2 1030 97 97 ASN HB3 H 2.769 0.020 2 1031 97 97 ASN C C 176.576 0.3 1 1032 97 97 ASN CA C 53.203 0.3 1 1033 97 97 ASN CB C 39.238 0.3 1 1034 97 97 ASN N N 118.699 0.3 1 1035 98 98 GLY H H 9.960 0.020 1 1036 98 98 GLY HA2 H 3.792 0.020 2 1037 98 98 GLY HA3 H 3.913 0.020 2 1038 98 98 GLY C C 178.595 0.3 1 1039 98 98 GLY CA C 45.458 0.3 1 1040 98 98 GLY N N 110.100 0.3 1 1041 99 99 TYR H H 7.780 0.020 1 1042 99 99 TYR HA H 5.477 0.020 1 1043 99 99 TYR HB2 H 2.758 0.020 2 1044 99 99 TYR HB3 H 2.836 0.020 2 1045 99 99 TYR HD1 H 6.804 0.020 1 1046 99 99 TYR HD2 H 6.804 0.020 1 1047 99 99 TYR HE1 H 6.780 0.020 1 1048 99 99 TYR HE2 H 6.780 0.020 1 1049 99 99 TYR C C 175.366 0.3 1 1050 99 99 TYR CA C 56.666 0.3 1 1051 99 99 TYR CB C 41.265 0.3 1 1052 99 99 TYR CD1 C 133.489 0.3 1 1053 99 99 TYR CE1 C 117.942 0.3 1 1054 99 99 TYR N N 118.049 0.3 1 1055 100 100 ILE H H 8.620 0.020 1 1056 100 100 ILE HA H 4.996 0.020 1 1057 100 100 ILE HB H 2.331 0.020 1 1058 100 100 ILE HG12 H 1.485 0.020 2 1059 100 100 ILE HG13 H 1.112 0.020 2 1060 100 100 ILE HG2 H 0.910 0.020 1 1061 100 100 ILE HD1 H 0.686 0.020 1 1062 100 100 ILE C C 174.612 0.3 1 1063 100 100 ILE CA C 59.372 0.3 1 1064 100 100 ILE CB C 41.826 0.3 1 1065 100 100 ILE CG1 C 24.573 0.3 1 1066 100 100 ILE CG2 C 18.415 0.3 1 1067 100 100 ILE CD1 C 13.841 0.3 1 1068 100 100 ILE N N 113.473 0.3 1 1069 101 101 SER H H 8.927 0.020 1 1070 101 101 SER HA H 4.757 0.020 1 1071 101 101 SER HB2 H 3.959 0.020 1 1072 101 101 SER HB3 H 3.959 0.020 1 1073 101 101 SER C C 175.839 0.3 1 1074 101 101 SER CA C 57.711 0.3 1 1075 101 101 SER CB C 64.800 0.3 1 1076 101 101 SER N N 117.337 0.3 1 1077 102 102 ALA H H 8.810 0.020 1 1078 102 102 ALA HA H 3.849 0.020 1 1079 102 102 ALA HB H 1.387 0.020 1 1080 102 102 ALA C C 179.453 0.3 1 1081 102 102 ALA CA C 55.381 0.3 1 1082 102 102 ALA CB C 18.110 0.3 1 1083 102 102 ALA N N 124.420 0.3 1 1084 103 103 ALA H H 8.271 0.020 1 1085 103 103 ALA HA H 4.073 0.020 1 1086 103 103 ALA HB H 1.349 0.020 1 1087 103 103 ALA C C 181.095 0.3 1 1088 103 103 ALA CA C 54.811 0.3 1 1089 103 103 ALA CB C 18.483 0.3 1 1090 103 103 ALA N N 119.054 0.3 1 1091 104 104 GLU H H 7.744 0.020 1 1092 104 104 GLU HA H 3.710 0.020 1 1093 104 104 GLU HB2 H 2.371 0.020 1 1094 104 104 GLU HB3 H 2.371 0.020 1 1095 104 104 GLU HG2 H 2.310 0.020 1 1096 104 104 GLU HG3 H 2.310 0.020 1 1097 104 104 GLU C C 177.937 0.3 1 1098 104 104 GLU CA C 58.330 0.3 1 1099 104 104 GLU CB C 30.586 0.3 1 1100 104 104 GLU CG C 35.947 0.3 1 1101 104 104 GLU N N 120.207 0.3 1 1102 105 105 LEU H H 8.212 0.020 1 1103 105 105 LEU HA H 3.746 0.020 1 1104 105 105 LEU HB2 H 2.060 0.020 1 1105 105 105 LEU HB3 H 2.060 0.020 1 1106 105 105 LEU HG H 1.252 0.020 1 1107 105 105 LEU HD1 H 0.290 0.020 1 1108 105 105 LEU HD2 H 0.260 0.020 1 1109 105 105 LEU C C 178.699 0.3 1 1110 105 105 LEU CA C 58.872 0.3 1 1111 105 105 LEU CB C 41.84 0.3 1 1112 105 105 LEU CG C 27.106 0.3 1 1113 105 105 LEU CD1 C 24.134 0.3 1 1114 105 105 LEU CD2 C 25.197 0.3 1 1115 105 105 LEU N N 120.730 0.3 1 1116 106 106 ARG H H 8.050 0.020 1 1117 106 106 ARG HA H 3.658 0.020 1 1118 106 106 ARG HB2 H 1.745 0.020 1 1119 106 106 ARG HB3 H 1.745 0.020 1 1120 106 106 ARG HG2 H 1.484 0.020 1 1121 106 106 ARG HG3 H 1.484 0.020 1 1122 106 106 ARG HD2 H 3.021 0.020 1 1123 106 106 ARG HD3 H 3.021 0.020 1 1124 106 106 ARG C C 178.354 0.3 1 1125 106 106 ARG CA C 59.916 0.3 1 1126 106 106 ARG CB C 30.266 0.3 1 1127 106 106 ARG CG C 28.436 0.3 1 1128 106 106 ARG CD C 42.950 0.3 1 1129 106 106 ARG N N 117.214 0.3 1 1130 107 107 HIS H H 7.735 0.020 1 1131 107 107 HIS HA H 4.264 0.020 1 1132 107 107 HIS HB2 H 3.317 0.020 2 1133 107 107 HIS HB3 H 3.157 0.020 2 1134 107 107 HIS HD2 H 7.070 0.020 1 1135 107 107 HIS HE1 H 8.400 0.020 1 1136 107 107 HIS C C 177.357 0.3 1 1137 107 107 HIS CA C 59.486 0.3 1 1138 107 107 HIS CB C 28.432 0.3 1 1139 107 107 HIS CD2 C 119.700 0.3 1 1140 107 107 HIS CE1 C 137.137 0.3 1 1141 107 107 HIS N N 118.436 0.3 1 1142 108 108 VAL H H 8.125 0.020 1 1143 108 108 VAL HA H 3.457 0.020 1 1144 108 108 VAL HB H 1.904 0.020 1 1145 108 108 VAL HG1 H 0.936 0.020 1 1146 108 108 VAL HG2 H 0.124 0.020 1 1147 108 108 VAL C C 178.691 0.3 1 1148 108 108 VAL CA C 66.433 0.3 1 1149 108 108 VAL CB C 31.700 0.3 1 1150 108 108 VAL CG1 C 23.337 0.3 1 1151 108 108 VAL CG2 C 21.095 0.3 1 1152 108 108 VAL N N 119.588 0.3 1 1153 109 109 MET H H 8.184 0.020 1 1154 109 109 MET HA H 4.120 0.020 1 1155 109 109 MET HB2 H 2.092 0.020 2 1156 109 109 MET HB3 H 2.047 0.020 2 1157 109 109 MET HG2 H 2.129 0.020 1 1158 109 109 MET HG3 H 2.129 0.020 1 1159 109 109 MET HE H 1.864 0.020 1 1160 109 109 MET C C 178.389 0.3 1 1161 109 109 MET CA C 58.336 0.3 1 1162 109 109 MET CB C 32.542 0.3 1 1163 109 109 MET CG C 32.911 0.3 1 1164 109 109 MET CE C 17.182 0.3 1 1165 109 109 MET N N 115.339 0.3 1 1166 110 110 THR H H 7.945 0.020 1 1167 110 110 THR HA H 4.171 0.020 1 1168 110 110 THR HB H 4.285 0.020 1 1169 110 110 THR HG2 H 1.241 0.020 1 1170 110 110 THR C C 176.005 0.3 1 1171 110 110 THR CA C 64.647 0.3 1 1172 110 110 THR CB C 69.004 0.3 1 1173 110 110 THR CG2 C 21.487 0.3 1 1174 110 110 THR N N 110.884 0.3 1 1175 111 111 ASN H H 7.661 0.020 1 1176 111 111 ASN HA H 4.656 0.020 1 1177 111 111 ASN HB2 H 2.731 0.020 2 1178 111 111 ASN HB3 H 2.640 0.020 2 1179 111 111 ASN C C 176.003 0.3 1 1180 111 111 ASN CA C 54.755 0.3 1 1181 111 111 ASN CB C 39.036 0.3 1 1182 111 111 ASN N N 119.801 0.3 1 1183 112 112 LEU H H 7.740 0.020 1 1184 112 112 LEU HA H 4.321 0.020 1 1185 112 112 LEU HB2 H 1.727 0.020 2 1186 112 112 LEU HB3 H 1.604 0.020 2 1187 112 112 LEU HD1 H 0.745 0.020 1 1188 112 112 LEU HD2 H 0.763 0.020 1 1189 112 112 LEU C C 177.665 0.3 1 1190 112 112 LEU CA C 55.170 0.3 1 1191 112 112 LEU CB C 42.874 0.3 1 1192 112 112 LEU CG C 26.292 0.3 1 1193 112 112 LEU N N 119.953 0.3 1 1194 113 113 GLY H H 8.174 0.020 1 1195 113 113 GLY HA2 H 3.848 0.020 2 1196 113 113 GLY HA3 H 3.937 0.020 2 1197 113 113 GLY C C 174.834 0.3 1 1198 113 113 GLY CA C 46.229 0.3 1 1199 113 113 GLY N N 108.021 0.3 1 1200 114 114 GLU H H 8.182 0.020 1 1201 114 114 GLU HA H 4.245 0.020 1 1202 114 114 GLU HB2 H 2.028 0.020 2 1203 114 114 GLU HB3 H 1.869 0.020 2 1204 114 114 GLU HG2 H 2.274 0.020 1 1205 114 114 GLU HG3 H 2.274 0.020 1 1206 114 114 GLU C C 176.428 0.3 1 1207 114 114 GLU CA C 56.288 0.3 1 1208 114 114 GLU CB C 29.998 0.3 1 1209 114 114 GLU CG C 35.443 0.3 1 1210 114 114 GLU N N 120.166 0.3 1 1211 115 115 LYS H H 8.268 0.020 1 1212 115 115 LYS HA H 4.182 0.020 1 1213 115 115 LYS HB2 H 1.779 0.020 1 1214 115 115 LYS HB3 H 1.779 0.020 1 1215 115 115 LYS HG2 H 1.344 0.020 1 1216 115 115 LYS HG3 H 1.344 0.020 1 1217 115 115 LYS HD2 H 1.655 0.020 1 1218 115 115 LYS HD3 H 1.655 0.020 1 1219 115 115 LYS HE2 H 2.980 0.020 1 1220 115 115 LYS HE3 H 2.980 0.020 1 1221 115 115 LYS C C 176.409 0.3 1 1222 115 115 LYS CA C 57.131 0.3 1 1223 115 115 LYS CB C 32.169 0.3 1 1224 115 115 LYS CG C 24.677 0.3 1 1225 115 115 LYS CD C 28.725 0.3 1 1226 115 115 LYS CE C 39.989 0.3 1 1227 115 115 LYS N N 119.949 0.3 1 1228 116 116 LEU H H 7.795 0.020 1 1229 116 116 LEU HA H 4.700 0.020 1 1230 116 116 LEU HB2 H 1.517 0.020 1 1231 116 116 LEU HB3 H 1.517 0.020 1 1232 116 116 LEU HG H 1.530 0.020 1 1233 116 116 LEU HD1 H 0.869 0.020 1 1234 116 116 LEU HD2 H 0.841 0.020 1 1235 116 116 LEU C C 177.661 0.3 1 1236 116 116 LEU CA C 54.088 0.3 1 1237 116 116 LEU CB C 44.424 0.3 1 1238 116 116 LEU CG C 26.592 0.3 1 1239 116 116 LEU N N 121.080 0.3 1 1240 117 117 THR H H 8.970 0.020 1 1241 117 117 THR HA H 4.419 0.020 1 1242 117 117 THR HB H 4.691 0.020 1 1243 117 117 THR HG2 H 1.320 0.020 1 1244 117 117 THR C C 175.420 0.3 1 1245 117 117 THR CA C 60.800 0.3 1 1246 117 117 THR CB C 70.741 0.3 1 1247 117 117 THR CG2 C 21.464 0.3 1 1248 117 117 THR N N 113.470 0.3 1 1249 118 118 ASP H H 8.819 0.020 1 1250 118 118 ASP HA H 4.195 0.020 1 1251 118 118 ASP HB2 H 2.556 0.020 2 1252 118 118 ASP HB3 H 2.660 0.020 2 1253 118 118 ASP C C 178.247 0.3 1 1254 118 118 ASP CA C 57.800 0.3 1 1255 118 118 ASP CB C 39.998 0.3 1 1256 118 118 ASP N N 120.914 0.3 1 1257 119 119 GLU H H 8.578 0.020 1 1258 119 119 GLU HA H 4.069 0.020 1 1259 119 119 GLU HB2 H 1.921 0.020 1 1260 119 119 GLU HB3 H 1.921 0.020 1 1261 119 119 GLU HG2 H 2.293 0.020 1 1262 119 119 GLU HG3 H 2.293 0.020 1 1263 119 119 GLU C C 179.455 0.3 1 1264 119 119 GLU CA C 59.878 0.3 1 1265 119 119 GLU CB C 29.214 0.3 1 1266 119 119 GLU CG C 36.987 0.3 1 1267 119 119 GLU N N 117.961 0.3 1 1268 120 120 GLU H H 7.805 0.020 1 1269 120 120 GLU HA H 4.030 0.020 1 1270 120 120 GLU HB2 H 2.371 0.020 2 1271 120 120 GLU HB3 H 2.024 0.020 2 1272 120 120 GLU HG2 H 2.475 0.020 1 1273 120 120 GLU HG3 H 2.475 0.020 1 1274 120 120 GLU C C 179.773 0.3 1 1275 120 120 GLU CA C 59.462 0.3 1 1276 120 120 GLU CB C 28.775 0.3 1 1277 120 120 GLU CG C 36.461 0.3 1 1278 120 120 GLU N N 120.465 0.3 1 1279 121 121 VAL H H 8.219 0.020 1 1280 121 121 VAL HA H 3.618 0.020 1 1281 121 121 VAL HB H 2.172 0.020 1 1282 121 121 VAL HG1 H 0.998 0.020 1 1283 121 121 VAL HG2 H 0.917 0.020 1 1284 121 121 VAL C C 177.658 0.3 1 1285 121 121 VAL CA C 66.852 0.3 1 1286 121 121 VAL CB C 31.512 0.3 1 1287 121 121 VAL CG1 C 24.190 0.3 1 1288 121 121 VAL CG2 C 21.810 0.3 1 1289 121 121 VAL N N 120.730 0.3 1 1290 122 122 ASP H H 8.374 0.020 1 1291 122 122 ASP HA H 4.337 0.020 1 1292 122 122 ASP HB2 H 2.785 0.020 2 1293 122 122 ASP HB3 H 2.580 0.020 2 1294 122 122 ASP C C 179.341 0.3 1 1295 122 122 ASP CA C 57.636 0.3 1 1296 122 122 ASP CB C 40.256 0.3 1 1297 122 122 ASP N N 119.315 0.3 1 1298 123 123 GLU H H 7.864 0.020 1 1299 123 123 GLU HA H 4.021 0.020 1 1300 123 123 GLU HB2 H 2.096 0.020 1 1301 123 123 GLU HG2 H 2.369 0.020 1 1302 123 123 GLU HG3 H 2.369 0.020 1 1303 123 123 GLU C C 178.273 0.3 1 1304 123 123 GLU CA C 59.082 0.3 1 1305 123 123 GLU CB C 29.577 0.3 1 1306 123 123 GLU CG C 35.878 0.3 1 1307 123 123 GLU N N 119.259 0.3 1 1308 124 124 MET H H 7.914 0.020 1 1309 124 124 MET HA H 4.064 0.020 1 1310 124 124 MET HB2 H 2.306 0.020 2 1311 124 124 MET HB3 H 2.043 0.020 2 1312 124 124 MET HG2 H 2.477 0.020 2 1313 124 124 MET HG3 H 2.762 0.020 2 1314 124 124 MET HE H 2.078 0.020 1 1315 124 124 MET C C 179.119 0.3 1 1316 124 124 MET CA C 59.236 0.3 1 1317 124 124 MET CB C 33.880 0.3 1 1318 124 124 MET CG C 32.667 0.3 1 1319 124 124 MET CE C 16.888 0.3 1 1320 124 124 MET N N 118.731 0.3 1 1321 125 125 ILE H H 8.326 0.020 1 1322 125 125 ILE HA H 3.712 0.020 1 1323 125 125 ILE HB H 1.953 0.020 1 1324 125 125 ILE HG12 H 1.722 0.020 2 1325 125 125 ILE HG13 H 1.849 0.020 2 1326 125 125 ILE HG2 H 0.849 0.020 1 1327 125 125 ILE HD1 H 0.748 0.020 1 1328 125 125 ILE C C 177.919 0.3 1 1329 125 125 ILE CA C 65.050 0.3 1 1330 125 125 ILE CB C 37.774 0.3 1 1331 125 125 ILE CG1 C 29.891 0.3 1 1332 125 125 ILE CG2 C 17.145 0.3 1 1333 125 125 ILE CD1 C 13.514 0.3 1 1334 125 125 ILE N N 118.349 0.3 1 1335 126 126 ARG H H 7.956 0.020 1 1336 126 126 ARG HA H 4.081 0.020 1 1337 126 126 ARG HB2 H 1.919 0.020 1 1338 126 126 ARG HB3 H 1.919 0.020 1 1339 126 126 ARG HG2 H 1.754 0.020 2 1340 126 126 ARG HG3 H 1.608 0.020 2 1341 126 126 ARG HD2 H 3.228 0.020 1 1342 126 126 ARG HD3 H 3.228 0.020 1 1343 126 126 ARG C C 179.017 0.3 1 1344 126 126 ARG CA C 59.468 0.3 1 1345 126 126 ARG CB C 30.164 0.3 1 1346 126 126 ARG CG C 27.424 0.3 1 1347 126 126 ARG CD C 43.224 0.3 1 1348 126 126 ARG N N 119.713 0.3 1 1349 127 127 GLU H H 7.851 0.020 1 1350 127 127 GLU HA H 4.224 0.020 1 1351 127 127 GLU HB2 H 2.191 0.020 2 1352 127 127 GLU HB3 H 2.003 0.020 2 1353 127 127 GLU HG2 H 2.577 0.020 1 1354 127 127 GLU HG3 H 2.577 0.020 1 1355 127 127 GLU C C 176.864 0.3 1 1356 127 127 GLU CA C 57.151 0.3 1 1357 127 127 GLU CB C 29.584 0.3 1 1358 127 127 GLU CG C 35.394 0.3 1 1359 127 127 GLU N N 116.665 0.3 1 1360 128 128 ALA H H 7.610 0.020 1 1361 128 128 ALA HA H 4.349 0.020 1 1362 128 128 ALA HB H 1.532 0.020 1 1363 128 128 ALA C C 177.108 0.3 1 1364 128 128 ALA CA C 52.425 0.3 1 1365 128 128 ALA CB C 19.809 0.3 1 1366 128 128 ALA N N 121.551 0.3 1 1367 129 129 ASP H H 8.357 0.020 1 1368 129 129 ASP HA H 4.763 0.020 1 1369 129 129 ASP HB2 H 2.910 0.020 2 1370 129 129 ASP HB3 H 2.586 0.020 2 1371 129 129 ASP C C 175.673 0.3 1 1372 129 129 ASP CA C 53.912 0.3 1 1373 129 129 ASP CB C 40.118 0.3 1 1374 129 129 ASP N N 119.539 0.3 1 1375 130 130 ILE H H 7.846 0.020 1 1376 130 130 ILE HA H 4.501 0.020 1 1377 130 130 ILE HB H 1.858 0.020 1 1378 130 130 ILE HG12 H 1.514 0.020 2 1379 130 130 ILE HG13 H 1.178 0.020 2 1380 130 130 ILE HG2 H 0.933 0.020 1 1381 130 130 ILE HD1 H 0.846 0.020 1 1382 130 130 ILE C C 176.923 0.3 1 1383 130 130 ILE CA C 60.817 0.3 1 1384 130 130 ILE CB C 39.372 0.3 1 1385 130 130 ILE CG1 C 27.258 0.3 1 1386 130 130 ILE CG2 C 17.492 0.3 1 1387 130 130 ILE CD1 C 13.241 0.3 1 1388 130 130 ILE N N 120.930 0.3 1 1389 131 131 ASP H H 8.618 0.020 1 1390 131 131 ASP HA H 4.659 0.020 1 1391 131 131 ASP HB2 H 2.775 0.020 2 1392 131 131 ASP HB3 H 2.564 0.020 2 1393 131 131 ASP C C 177.980 0.3 1 1394 131 131 ASP CA C 53.591 0.3 1 1395 131 131 ASP CB C 41.178 0.3 1 1396 131 131 ASP N N 124.089 0.3 1 1397 132 132 GLY H H 8.370 0.020 1 1398 132 132 GLY HA2 H 3.865 0.020 2 1399 132 132 GLY HA3 H 4.234 0.020 2 1400 132 132 GLY C C 174.699 0.3 1 1401 132 132 GLY CA C 46.538 0.3 1 1402 132 132 GLY N N 107.928 0.3 1 1403 133 133 ASP H H 8.280 0.020 1 1404 133 133 ASP HA H 4.810 0.020 1 1405 133 133 ASP HB2 H 2.750 0.020 2 1406 133 133 ASP HB3 H 2.612 0.020 2 1407 133 133 ASP C C 177.006 0.3 1 1408 133 133 ASP CA C 53.530 0.3 1 1409 133 133 ASP CB C 41.442 0.3 1 1410 133 133 ASP N N 119.355 0.3 1 1411 134 134 GLY H H 8.535 0.020 1 1412 134 134 GLY HA2 H 3.810 0.020 2 1413 134 134 GLY HA3 H 4.082 0.020 2 1414 134 134 GLY C C 174.167 0.3 1 1415 134 134 GLY CA C 45.700 0.3 1 1416 134 134 GLY N N 109.445 0.3 1 1417 135 135 GLN H H 8.313 0.020 1 1418 135 135 GLN HA H 4.707 0.020 1 1419 135 135 GLN HB2 H 1.911 0.020 2 1420 135 135 GLN HB3 H 2.083 0.020 2 1421 135 135 GLN HG2 H 2.266 0.020 2 1422 135 135 GLN HG3 H 1.944 0.020 2 1423 135 135 GLN C C 175.215 0.3 1 1424 135 135 GLN CA C 54.901 0.3 1 1425 135 135 GLN CB C 30.539 0.3 1 1426 135 135 GLN CG C 34.157 0.3 1 1427 135 135 GLN N N 119.404 0.3 1 1428 136 136 VAL H H 9.390 0.020 1 1429 136 136 VAL HA H 4.522 0.020 1 1430 136 136 VAL HB H 1.902 0.020 1 1431 136 136 VAL HG1 H 0.826 0.020 1 1432 136 136 VAL HG2 H 0.826 0.020 1 1433 136 136 VAL C C 174.628 0.3 1 1434 136 136 VAL CA C 60.585 0.3 1 1435 136 136 VAL CB C 34.923 0.3 1 1436 136 136 VAL CG1 C 21.696 0.3 1 1437 136 136 VAL CG2 C 20.991 0.3 1 1438 136 136 VAL N N 119.311 0.3 1 1439 137 137 ASN H H 8.796 0.020 1 1440 137 137 ASN HA H 4.449 0.020 1 1441 137 137 ASN HB2 H 2.887 0.020 2 1442 137 137 ASN HB3 H 2.345 0.020 2 1443 137 137 ASN C C 176.161 0.3 1 1444 137 137 ASN CA C 52.089 0.3 1 1445 137 137 ASN CB C 38.233 0.3 1 1446 137 137 ASN N N 125.023 0.3 1 1447 138 138 TYR H H 7.544 0.020 1 1448 138 138 TYR HA H 4.206 0.020 1 1449 138 138 TYR HB2 H 2.148 0.020 2 1450 138 138 TYR HB3 H 2.515 0.020 2 1451 138 138 TYR HD1 H 6.644 0.020 1 1452 138 138 TYR HD2 H 6.644 0.020 1 1453 138 138 TYR HE1 H 6.700 0.020 1 1454 138 138 TYR HE2 H 6.700 0.020 1 1455 138 138 TYR C C 176.952 0.3 1 1456 138 138 TYR CA C 59.033 0.3 1 1457 138 138 TYR CB C 37.389 0.3 1 1458 138 138 TYR CD1 C 133.588 0.3 1 1459 138 138 TYR CE1 C 117.515 0.3 1 1460 138 138 TYR N N 122.413 0.3 1 1461 139 139 GLU H H 8.174 0.020 1 1462 139 139 GLU HA H 4.024 0.020 1 1463 139 139 GLU HB2 H 1.926 0.020 1 1464 139 139 GLU HB3 H 1.926 0.020 1 1465 139 139 GLU HG2 H 2.308 0.020 1 1466 139 139 GLU HG3 H 2.308 0.020 1 1467 139 139 GLU C C 179.050 0.3 1 1468 139 139 GLU CA C 59.377 0.3 1 1469 139 139 GLU CB C 28.434 0.3 1 1470 139 139 GLU CG C 35.003 0.3 1 1471 139 139 GLU N N 125.813 0.3 1 1472 140 140 GLU H H 7.854 0.020 1 1473 140 140 GLU HA H 3.960 0.020 1 1474 140 140 GLU HB2 H 1.883 0.020 2 1475 140 140 GLU HB3 H 1.674 0.020 2 1476 140 140 GLU HG2 H 2.372 0.020 2 1477 140 140 GLU HG3 H 2.282 0.020 2 1478 140 140 GLU C C 178.973 0.3 1 1479 140 140 GLU CA C 58.830 0.3 1 1480 140 140 GLU CB C 29.171 0.3 1 1481 140 140 GLU CG C 35.379 0.3 1 1482 140 140 GLU N N 116.920 0.3 1 1483 141 141 PHE H H 7.566 0.020 1 1484 141 141 PHE HA H 4.162 0.020 1 1485 141 141 PHE HB2 H 3.139 0.020 2 1486 141 141 PHE HB3 H 2.979 0.020 2 1487 141 141 PHE HD1 H 7.127 0.020 1 1488 141 141 PHE HD2 H 7.127 0.020 1 1489 141 141 PHE HE1 H 7.101 0.020 1 1490 141 141 PHE HE2 H 7.101 0.020 1 1491 141 141 PHE HZ H 7.294 0.020 1 1492 141 141 PHE C C 177.436 0.3 1 1493 141 141 PHE CA C 61.310 0.3 1 1494 141 141 PHE CB C 39.131 0.3 1 1495 141 141 PHE CD1 C 131.068 0.3 1 1496 141 141 PHE CE1 C 129.935 0.3 1 1497 141 141 PHE CZ C 129.463 0.3 1 1498 141 141 PHE N N 119.014 0.3 1 1499 142 142 VAL H H 8.141 0.020 1 1500 142 142 VAL HA H 3.532 0.020 1 1501 142 142 VAL HB H 2.346 0.020 1 1502 142 142 VAL HG1 H 1.145 0.020 1 1503 142 142 VAL HG2 H 0.937 0.020 1 1504 142 142 VAL C C 178.875 0.3 1 1505 142 142 VAL CA C 67.094 0.3 1 1506 142 142 VAL CB C 31.552 0.3 1 1507 142 142 VAL CG1 C 23.335 0.3 1 1508 142 142 VAL CG2 C 21.618 0.3 1 1509 142 142 VAL N N 119.992 0.3 1 1510 143 143 GLN H H 7.871 0.020 1 1511 143 143 GLN HA H 3.913 0.020 1 1512 143 143 GLN HB2 H 2.093 0.020 1 1513 143 143 GLN HB3 H 2.093 0.020 1 1514 143 143 GLN HG2 H 2.473 0.020 1 1515 143 143 GLN HG3 H 2.473 0.020 1 1516 143 143 GLN C C 172.885 0.3 1 1517 143 143 GLN CA C 58.808 0.3 1 1518 143 143 GLN CB C 28.332 0.3 1 1519 143 143 GLN CG C 33.631 0.3 1 1520 143 143 GLN N N 117.140 0.3 1 1521 144 144 MET H H 7.765 0.020 1 1522 144 144 MET HA H 4.098 0.020 1 1523 144 144 MET HB2 H 2.128 0.020 2 1524 144 144 MET HB3 H 2.046 0.020 2 1525 144 144 MET HG2 H 2.484 0.020 1 1526 144 144 MET HG3 H 2.484 0.020 1 1527 144 144 MET HE H 1.920 0.020 1 1528 144 144 MET C C 178.354 0.3 1 1529 144 144 MET CA C 58.502 0.3 1 1530 144 144 MET CB C 33.114 0.3 1 1531 144 144 MET CG C 31.847 0.3 1 1532 144 144 MET CE C 18.250 0.3 1 1533 144 144 MET N N 117.938 0.3 1 1534 145 145 MET H H 7.987 0.020 1 1535 145 145 MET HA H 4.208 0.020 1 1536 145 145 MET HB2 H 2.148 0.020 1 1537 145 145 MET HB3 H 2.148 0.020 1 1538 145 145 MET HG2 H 2.660 0.020 2 1539 145 145 MET HG3 H 2.554 0.020 2 1540 145 145 MET HE H 2.131 0.020 1 1541 145 145 MET C C 177.556 0.3 1 1542 145 145 MET CA C 57.237 0.3 1 1543 145 145 MET CB C 33.263 0.3 1 1544 145 145 MET CG C 32.654 0.3 1 1545 145 145 MET CE C 17.746 0.3 1 1546 145 145 MET N N 116.110 0.3 1 1547 146 146 THR H H 7.716 0.020 1 1548 146 146 THR HA H 4.270 0.020 1 1549 146 146 THR HB H 4.270 0.020 1 1550 146 146 THR HG2 H 1.231 0.020 1 1551 146 146 THR C C 174.536 0.3 1 1552 146 146 THR CA C 62.549 0.3 1 1553 146 146 THR CB C 69.577 0.3 1 1554 146 146 THR N N 110.489 0.3 1 1555 147 147 ALA H H 7.609 0.020 1 1556 147 147 ALA HA H 4.334 0.020 1 1557 147 147 ALA HB H 1.402 0.020 1 1558 147 147 ALA C C 176.940 0.3 1 1559 147 147 ALA CA C 52.729 0.3 1 1560 147 147 ALA CB C 18.857 0.3 1 1561 147 147 ALA N N 125.528 0.3 1 1562 148 148 LYS H H 7.701 0.020 1 1563 148 148 LYS HA H 4.120 0.020 1 1564 148 148 LYS HB2 H 1.855 0.020 2 1565 148 148 LYS HB3 H 1.734 0.020 2 1566 148 148 LYS HG2 H 1.410 0.020 1 1567 148 148 LYS HG3 H 1.410 0.020 1 1568 148 148 LYS HE2 H 2.964 0.020 1 1569 148 148 LYS HE3 H 2.964 0.020 1 1570 148 148 LYS C C 181.690 0.3 1 1571 148 148 LYS CA C 57.396 0.3 1 1572 148 148 LYS CB C 33.465 0.3 1 1573 148 148 LYS CG C 24.677 0.3 1 1574 148 148 LYS CD C 28.866 0.3 1 1575 148 148 LYS CE C 42.034 0.3 1 1576 148 148 LYS N N 125.457 0.3 1 stop_ save_ save_heteronuclear_T1_list_1 _Saveframe_category T1_relaxation _Details . loop_ _Sample_label $sample_2 stop_ _Sample_conditions_label $sample_conditions_2 _Spectrometer_frequency_1H 600 _T1_coherence_type Sz _T1_value_units s _Mol_system_component_name unit_1 _Text_data_format . _Text_data . loop_ _T1_ID _Residue_seq_code _Residue_label _Atom_name _T1_value _T1_value_error 1 3 GLN N 0.85 0.16 2 4 LEU N 0.72 0.03 3 5 THR N 0.66 0.04 4 6 GLU N 0.75 0.07 5 7 GLU N 0.74 0.04 6 8 GLN N 0.71 0.07 7 9 ILE N 0.71 0.03 8 10 ALA N 0.68 0.01 9 11 GLU N 0.71 0.02 10 12 PHE N 0.67 0.04 11 13 LYS N 0.69 0.03 12 14 GLU N 0.72 0.01 13 15 ALA N 0.70 0.01 14 16 PHE N 0.67 0.01 15 17 SER N 0.72 0.05 16 18 LEU N 0.70 0.02 17 19 PHE N 0.72 0.03 18 20 ASP N 0.70 0.01 19 21 LYS N 0.75 0.02 20 22 ASP N 0.75 0.03 21 23 GLY N 0.71 0.02 22 24 ASP N 0.69 0.05 23 25 GLY N 0.65 0.03 24 26 THR N 0.76 0.08 25 27 ILE N 0.68 0.04 26 28 THR N 0.63 0.03 27 29 THR N 0.69 0.06 28 30 LYS N 0.72 0.04 29 31 GLU N 0.66 0.05 30 32 LEU N 0.63 0.02 31 33 GLY N 0.69 0.05 32 34 THR N 0.67 0.03 33 35 VAL N 0.63 0.03 34 36 MET N 0.67 0.02 35 37 ARG N 0.68 0.05 36 38 SER N 0.69 0.08 37 39 LEU N 0.67 0.02 38 40 GLY N 0.75 0.05 39 41 GLN N 0.73 0.04 40 42 ASN N 0.97 0.25 41 44 THR N 0.72 0.05 42 45 GLU N 0.67 0.03 43 46 ALA N 0.66 0.03 44 47 GLU N 0.66 0.06 45 48 LEU N 0.67 0.05 46 49 GLN N 0.64 0.01 47 50 ASP N 0.65 0.01 48 51 MET N 0.62 0.01 49 52 ILE N 0.62 0.01 50 53 ILE N 0.63 0.02 51 54 GLU N 0.69 0.05 52 55 VAL N 0.63 0.02 53 56 ASP N 0.67 0.01 54 57 ALA N 0.70 0.02 55 58 ASP N 0.70 0.02 56 59 GLY N 0.72 0.05 57 60 ASN N 0.72 0.06 58 61 GLY N 0.72 0.10 59 62 THR N 0.64 0.04 60 63 ILE N 0.67 0.04 61 64 ASP N 0.65 0.02 62 65 PHE N 0.71 0.02 63 67 GLU N 0.74 0.02 64 68 PHE N 0.70 0.02 65 69 LEU N 0.68 0.03 66 70 THR N 0.77 0.05 67 71 MET N 0.72 0.04 68 72 MET N 0.70 0.01 69 73 ALA N 0.72 0.02 70 74 ARG N 0.78 0.02 71 75 LYS N 0.70 0.02 72 76 MET N 0.72 0.04 73 77 LYS N 0.72 0.03 74 78 ASP N 0.74 0.05 75 79 THR N 0.80 0.10 76 80 ASP N 0.74 0.09 77 81 SER N 0.75 0.10 78 82 GLU N 0.74 0.06 79 83 GLU N 0.76 0.05 80 84 GLU N 0.69 0.05 81 85 ILE N 0.67 0.01 82 86 ARG N 0.64 0.03 83 87 GLU N 0.70 0.04 84 88 ALA N 0.59 0.04 85 89 PHE N 0.73 0.03 86 90 ARG N 0.70 0.03 87 91 VAL N 0.63 0.15 88 93 ASP N 0.75 0.07 89 94 LYS N 0.75 0.06 90 95 ASP N 0.67 0.05 91 96 GLY N 0.68 0.07 92 97 ASN N 0.64 0.07 93 99 TYR N 0.63 0.01 94 101 SER N 0.67 0.13 95 102 ALA N 0.69 0.03 96 103 ALA N 0.69 0.08 97 104 GLU N 0.71 0.04 98 105 LEU N 0.61 0.01 99 106 ARG N 0.69 0.05 100 107 HIS N 0.67 0.07 101 108 VAL N 0.70 0.06 102 109 MET N 0.77 0.14 103 110 THR N 0.72 0.06 104 111 ASN N 0.64 0.06 105 112 LEU N 0.73 0.06 106 113 GLY N 0.68 0.06 107 114 GLU N 0.67 0.05 108 115 LYS N 0.63 0.03 109 116 LEU N 0.69 0.08 110 117 THR N 0.69 0.07 111 118 ASP N 0.66 0.07 112 119 GLU N 0.65 0.04 113 120 GLU N 0.65 0.05 114 121 VAL N 0.61 0.01 115 122 ASP N 0.63 0.04 116 123 GLU N 0.63 0.02 117 124 MET N 0.63 0.04 118 125 ILE N 0.61 0.02 119 126 ARG N 0.62 0.02 120 127 GLU N 0.63 0.03 121 128 ALA N 0.62 0.03 122 129 ASP N 0.68 0.01 123 130 ILE N 0.69 0.03 124 131 ASP N 0.68 0.04 125 132 GLY N 0.71 0.07 126 133 ASP N 0.69 0.04 127 134 GLY N 0.64 0.03 128 135 GLN N 0.68 0.03 129 137 ASN N 0.67 0.06 130 139 GLU N 0.60 0.07 131 140 GLU N 0.67 0.05 132 141 PHE N 0.63 0.09 133 142 VAL N 0.64 0.01 134 143 GLN N 0.62 0.02 135 144 MET N 0.76 0.06 136 145 MET N 0.65 0.05 137 146 THR N 0.72 0.07 138 147 ALA N 0.70 0.05 139 148 LYS N 0.78 0.02 stop_ save_ save_heteronuclear_T2_list_1 _Saveframe_category T2_relaxation _Details . loop_ _Sample_label $sample_2 stop_ _Sample_conditions_label $sample_conditions_2 _Spectrometer_frequency_1H 600 _T2_coherence_type S(+,-) _T2_value_units s _Mol_system_component_name unit_1 _Text_data_format . _Text_data . loop_ _T2_ID _Residue_seq_code _Residue_label _Atom_name _T2_value _T2_value_error _Rex_value _Rex_error 1 4 LEU N 0.16 0.01 . . 2 5 THR N 0.12 0.00 . . 3 6 GLU N 0.10 0.00 . . 4 7 GLU N 0.09 0.00 . . 5 8 GLN N 0.11 0.00 . . 6 9 ILE N 0.09 0.00 . . 7 10 ALA N 0.07 0.00 . . 8 11 GLU N 0.09 0.00 . . 9 12 PHE N 0.10 0.00 . . 10 13 LYS N 0.10 0.00 . . 11 14 GLU N 0.10 0.01 . . 12 15 ALA N 0.08 0.00 . . 13 16 PHE N 0.09 0.00 . . 14 17 SER N 0.07 0.00 . . 15 18 LEU N 0.09 0.00 . . 16 19 PHE N 0.07 0.00 . . 17 20 ASP N 0.13 0.00 . . 18 21 LYS N 0.13 0.00 . . 19 22 ASP N 0.09 0.00 . . 20 23 GLY N 0.12 0.00 . . 21 24 ASP N 0.14 0.00 . . 22 25 GLY N 0.10 0.01 . . 23 26 THR N 0.08 0.00 . . 24 27 ILE N 0.04 0.00 . . 25 28 THR N 0.06 0.00 . . 26 29 THR N 0.08 0.00 . . 27 30 LYS N 0.07 0.00 . . 28 31 GLU N 0.09 0.00 . . 29 32 LEU N 0.10 0.01 . . 30 33 GLY N 0.09 0.00 . . 31 34 THR N 0.07 0.00 . . 32 35 VAL N 0.11 0.00 . . 33 36 MET N 0.08 0.00 . . 34 37 ARG N 0.09 0.00 . . 35 38 SER N 0.09 0.00 . . 36 39 LEU N 0.10 0.01 . . 37 40 GLY N 0.09 0.00 . . 38 41 GLN N 0.08 0.00 . . 39 42 ASN N 0.09 0.00 . . 40 44 THR N 0.11 0.00 . . 41 45 GLU N 0.11 0.00 . . 42 46 ALA N 0.11 0.00 . . 43 47 GLU N 0.11 0.00 . . 44 48 LEU N 0.11 0.00 . . 45 49 GLN N 0.09 0.00 . . 46 50 ASP N 0.09 0.00 . . 47 51 MET N 0.10 0.00 . . 48 52 ILE N 0.08 0.00 . . 49 53 ILE N 0.06 0.00 . . 50 54 GLU N 0.07 0.00 . . 51 55 VAL N 0.05 0.00 . . 52 56 ASP N 0.11 0.00 . . 53 57 ALA N 0.12 0.01 . . 54 58 ASP N 0.10 0.00 . . 55 59 GLY N 0.12 0.01 . . 56 60 ASN N 0.12 0.00 . . 57 61 GLY N 0.12 0.00 . . 58 62 THR N 0.10 0.00 . . 59 63 ILE N 0.09 0.00 . . 60 64 ASP N 0.09 0.01 . . 61 65 PHE N 0.07 0.00 . . 62 67 GLU N 0.07 0.00 . . 63 68 PHE N 0.09 0.00 . . 64 69 LEU N 0.07 0.00 . . 65 70 THR N 0.08 0.00 . . 66 71 MET N 0.08 0.00 . . 67 72 MET N 0.08 0.00 . . 68 73 ALA N 0.09 0.00 . . 69 74 ARG N 0.08 0.00 . . 70 75 LYS N 0.09 0.00 . . 71 76 MET N 0.10 0.00 . . 72 77 LYS N 0.13 0.00 . . 73 78 ASP N 0.13 0.00 . . 74 79 THR N 0.12 0.00 . . 75 80 ASP N 0.14 0.01 . . 76 81 SER N 0.09 0.00 . . 77 82 GLU N 0.11 0.00 . . 78 83 GLU N 0.06 0.00 . . 79 84 GLU N 0.06 0.00 . . 80 85 ILE N 0.07 0.00 . . 81 86 ARG N 0.04 0.00 . . 82 87 GLU N 0.03 0.00 . . 83 88 ALA N 0.07 0.01 . . 84 89 PHE N 0.04 0.02 . . 85 90 ARG N 0.04 0.01 . . 86 91 VAL N 0.06 0.03 . . 87 93 ASP N 0.09 0.01 . . 88 94 LYS N 0.05 0.00 . . 89 95 ASP N 0.04 0.00 . . 90 96 GLY N 0.09 0.00 . . 91 97 ASN N 0.11 0.01 . . 92 99 TYR N 0.07 0.00 . . 93 101 SER N 0.07 0.02 . . 94 102 ALA N 0.08 0.01 . . 95 103 ALA N 0.06 0.00 . . 96 104 GLU N 0.07 0.01 . . 97 105 LEU N 0.11 0.00 . . 98 106 ARG N 0.06 0.00 . . 99 107 HIS N 0.09 0.00 . . 100 108 VAL N 0.08 0.00 . . 101 109 MET N 0.03 0.01 . . 102 110 THR N 0.04 0.00 . . 103 111 ASN N 0.10 0.01 . . 104 112 LEU N 0.07 0.01 . . 105 113 GLY N 0.15 0.01 . . 106 114 GLU N 0.16 0.01 . . 107 115 LYS N 0.10 0.01 . . 108 116 LEU N 0.06 0.01 . . 109 117 THR N 0.12 0.01 . . 110 118 ASP N 0.11 0.00 . . 111 119 GLU N 0.07 0.00 . . 112 120 GLU N 0.10 0.00 . . 113 121 VAL N 0.11 0.00 . . 114 122 ASP N 0.04 0.00 . . 115 123 GLU N 0.07 0.00 . . 116 124 MET N 0.06 0.00 . . 117 125 ILE N 0.04 0.00 . . 118 126 ARG N 0.03 0.01 . . 119 127 GLU N 0.04 0.01 . . 120 128 ALA N 0.07 0.00 . . 121 129 ASP N 0.11 0.01 . . 122 130 ILE N 0.11 0.00 . . 123 131 ASP N 0.06 0.00 . . 124 132 GLY N 0.09 0.00 . . 125 133 ASP N 0.12 0.00 . . 126 134 GLY N 0.12 0.00 . . 127 135 GLN N 0.12 0.00 . . 128 137 ASN N 0.06 0.01 . . 129 138 TYR N 0.08 0.02 . . 130 139 GLU N 0.03 0.02 . . 131 140 GLU N 0.04 0.00 . . 132 141 PHE N 0.07 0.01 . . 133 142 VAL N 0.10 0.00 . . 134 143 GLN N 0.03 0.00 . . 135 144 MET N 0.08 0.00 . . 136 145 MET N 0.03 0.00 . . 137 146 THR N 0.04 0.00 . . 138 147 ALA N 0.11 0.01 . . 139 148 LYS N 0.32 0.03 . . stop_ save_ save_heteronuclear_noe_list_1 _Saveframe_category heteronuclear_NOE _Details . loop_ _Experiment_label {1H}-15N-NOE stop_ loop_ _Sample_label . stop_ _Sample_conditions_label $sample_conditions_2 _Spectrometer_frequency_1H 600 _Mol_system_component_name unit_1 _Atom_one_atom_name N _Atom_two_atom_name H _Heteronuclear_NOE_value_type 'peak height' _NOE_reference_value 0 _NOE_reference_description . _Text_data_format . _Text_data . loop_ _Residue_seq_code _Residue_label _Heteronuclear_NOE_value _Heteronuclear_NOE_value_error 2 ASP -0.29 0.05 3 GLN 0.05 0.00 4 LEU 0.36 0.00 5 THR 0.68 0.01 6 GLU 0.68 0.01 7 GLU 0.71 0.01 8 GLN 0.69 0.01 9 ILE 0.66 0.01 10 ALA 0.74 0.01 11 GLU 0.74 0.01 12 PHE 0.73 0.00 13 LYS 0.77 0.01 14 GLU 0.65 0.01 15 ALA 0.73 0.01 16 PHE 0.78 0.01 17 SER 0.75 0.01 18 LEU 0.72 0.01 19 PHE 0.70 0.01 20 ASP 0.65 0.01 21 LYS 0.41 0.00 22 ASP 0.44 0.01 23 GLY 0.57 0.00 24 ASP 0.61 0.01 25 GLY 0.71 0.01 26 THR 0.69 0.01 27 ILE 0.73 0.02 28 THR 0.71 0.01 29 THR 0.73 0.01 30 LYS 0.66 0.01 31 GLU 0.71 0.01 32 LEU 0.73 0.01 33 GLY 0.75 0.01 34 THR 0.74 0.01 35 VAL 0.76 0.01 36 MET 0.75 0.01 37 ARG 0.76 0.01 38 SER 0.75 0.01 39 LEU 0.75 0.01 40 GLY 0.71 0.01 41 GLN 0.72 0.01 42 ASN 0.49 0.01 44 THR 0.68 0.01 45 GLU 0.74 0.00 46 ALA 0.65 0.00 47 GLU 0.71 0.00 48 LEU 0.69 0.01 49 GLN 0.70 0.00 50 ASP 0.70 0.01 51 MET 0.69 0.00 52 ILE 0.70 0.01 53 ILE 0.72 0.01 54 GLU 0.74 0.00 55 VAL 0.62 0.01 56 ASP 0.62 0.01 57 ALA 0.55 0.00 58 ASP 0.49 0.01 59 GLY 0.59 0.01 60 ASN 0.56 0.01 61 GLY 0.62 0.02 62 THR 0.70 0.01 63 ILE 0.71 0.01 64 ASP 0.69 0.01 65 PHE 0.71 0.01 67 GLU 0.74 0.01 68 PHE 0.77 0.01 69 LEU 0.75 0.01 70 THR 0.73 0.01 71 MET 0.75 0.01 72 MET 0.73 0.01 73 ALA 0.71 0.01 74 ARG 0.70 0.01 75 LYS 0.68 0.01 76 MET 0.61 0.01 77 LYS 0.47 0.00 78 ASP 0.30 0.00 79 THR 0.32 0.00 80 ASP 0.39 0.00 81 SER 0.51 0.01 82 GLU 0.53 0.01 83 GLU 0.62 0.01 84 GLU 0.62 0.01 85 ILE 0.65 0.01 86 ARG 0.64 0.01 87 GLU 0.68 0.02 88 ALA 0.67 0.05 90 ARG 0.73 0.03 91 VAL 0.71 0.09 93 ASP 0.64 0.02 94 LYS 0.49 0.01 95 ASP 0.54 0.03 96 GLY 0.64 0.01 97 ASN 0.61 0.02 99 TYR 0.61 0.01 101 SER 0.60 0.05 102 ALA 0.70 0.01 103 ALA 0.69 0.01 104 GLU 0.70 0.01 105 LEU 0.68 0.00 106 ARG 0.69 0.01 107 HIS 0.73 0.05 108 VAL 0.69 0.01 109 MET 0.67 0.07 110 THR 0.65 0.02 111 ASN 0.62 0.05 112 LEU 0.62 0.02 113 GLY 0.51 0.01 114 GLU 0.48 0.00 115 LYS 0.38 0.00 116 LEU 0.49 0.04 117 THR 0.59 0.04 118 ASP 0.63 0.01 119 GLU 0.67 0.01 120 GLU 0.67 0.02 121 VAL 0.68 0.00 122 ASP 0.64 0.01 123 GLU 0.67 0.01 124 MET 0.70 0.02 125 ILE 0.68 0.02 126 ARG 0.66 0.03 127 GLU 0.58 0.04 128 ALA 0.60 0.03 129 ASP 0.55 0.01 130 ILE 0.54 0.01 131 ASP 0.54 0.01 132 GLY 0.50 0.01 133 ASP 0.53 0.00 134 GLY 0.56 0.01 135 GLN 0.56 0.00 137 ASN 0.62 0.02 139 GLU 0.68 0.05 140 GLU 0.72 0.02 141 PHE 0.64 0.05 142 VAL 0.67 0.01 143 GLN 0.65 0.03 144 MET 0.72 0.01 145 MET 0.62 0.02 146 THR 0.49 0.02 147 ALA 0.41 0.01 148 LYS -0.07 0.01 stop_ save_