data_18281 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution Structure of Strawberry Allergen Fra a 1e ; _BMRB_accession_number 18281 _BMRB_flat_file_name bmr18281.str _Entry_type original _Submission_date 2012-02-20 _Accession_date 2012-02-20 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 'Seutter von Loetzen' Christian . . 2 Hartl-Spiegelhauer Olivia . . 3 Schweimer Kristian . . 4 Schwab Wilfried . . 5 Roesch Paul . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 808 "13C chemical shifts" 609 "15N chemical shifts" 144 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2013-02-12 update BMRB 'update entry citation' 2012-03-22 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution structure of the strawberry allergen Fra a 1.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 22913709 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 'Seutter von Loetzen' Christian . . 2 Schweimer Kristian . . 3 Schwab Wilfried . . 4 Rosch Paul . . 5 Hartl-Spiegelhauer Olivia . . stop_ _Journal_abbreviation 'Biosci. Rep.' _Journal_name_full 'Bioscience reports' _Journal_volume 32 _Journal_issue 6 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 567 _Page_last 575 _Year 2012 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name Strawberry _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label Strawberry $Strawberry stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_Strawberry _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity _Molecular_mass 17664.115 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 170 _Mol_residue_sequence ; MGVYTYENEFTSDIPAPKLF KAFVLDADNLIPKIAPQAVK CAEILEGDGGPGTIKKITFG EGSHYGYVKHKIHSIDKVNH TYSYSLIEGDALSENIEKID YETKLVSAPHGGTIIKTTSK YHTKGDVEIKEEHVKAGKEK AAHLFKLIEGYLKDHPSEYN GSRSHHHHHH ; loop_ _Residue_seq_code _Residue_label 1 MET 2 GLY 3 VAL 4 TYR 5 THR 6 TYR 7 GLU 8 ASN 9 GLU 10 PHE 11 THR 12 SER 13 ASP 14 ILE 15 PRO 16 ALA 17 PRO 18 LYS 19 LEU 20 PHE 21 LYS 22 ALA 23 PHE 24 VAL 25 LEU 26 ASP 27 ALA 28 ASP 29 ASN 30 LEU 31 ILE 32 PRO 33 LYS 34 ILE 35 ALA 36 PRO 37 GLN 38 ALA 39 VAL 40 LYS 41 CYS 42 ALA 43 GLU 44 ILE 45 LEU 46 GLU 47 GLY 48 ASP 49 GLY 50 GLY 51 PRO 52 GLY 53 THR 54 ILE 55 LYS 56 LYS 57 ILE 58 THR 59 PHE 60 GLY 61 GLU 62 GLY 63 SER 64 HIS 65 TYR 66 GLY 67 TYR 68 VAL 69 LYS 70 HIS 71 LYS 72 ILE 73 HIS 74 SER 75 ILE 76 ASP 77 LYS 78 VAL 79 ASN 80 HIS 81 THR 82 TYR 83 SER 84 TYR 85 SER 86 LEU 87 ILE 88 GLU 89 GLY 90 ASP 91 ALA 92 LEU 93 SER 94 GLU 95 ASN 96 ILE 97 GLU 98 LYS 99 ILE 100 ASP 101 TYR 102 GLU 103 THR 104 LYS 105 LEU 106 VAL 107 SER 108 ALA 109 PRO 110 HIS 111 GLY 112 GLY 113 THR 114 ILE 115 ILE 116 LYS 117 THR 118 THR 119 SER 120 LYS 121 TYR 122 HIS 123 THR 124 LYS 125 GLY 126 ASP 127 VAL 128 GLU 129 ILE 130 LYS 131 GLU 132 GLU 133 HIS 134 VAL 135 LYS 136 ALA 137 GLY 138 LYS 139 GLU 140 LYS 141 ALA 142 ALA 143 HIS 144 LEU 145 PHE 146 LYS 147 LEU 148 ILE 149 GLU 150 GLY 151 TYR 152 LEU 153 LYS 154 ASP 155 HIS 156 PRO 157 SER 158 GLU 159 TYR 160 ASN 161 GLY 162 SER 163 ARG 164 SER 165 HIS 166 HIS 167 HIS 168 HIS 169 HIS 170 HIS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2014-03-04 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 2LPX "Solution Structure Of Strawberry Allergen Fra A 1e" 100.00 170 100.00 100.00 3.80e-117 PDB 4C9C "Crystal Structure Of The Strawberry Pathogenesis-related 10 (pr-10) Fra A 1e Protein (form A)" 93.53 162 100.00 100.00 2.75e-108 PDB 4C9I "Crystal Structure Of The Strawberry Pathogenesis-related 10 (pr-10) Fra A 1e Protein (form B)" 93.53 162 100.00 100.00 2.75e-108 EMBL CAJ29538 "fra a 1 allergen [Fragaria x ananassa]" 94.12 160 97.50 99.38 7.28e-107 EMBL CAJ85639 "Major strawberry allergen Fra a 1-B [Fragaria x ananassa]" 94.12 160 97.50 99.38 7.86e-107 EMBL CAJ85640 "Major strawberry allergen Fra a 1-B [Fragaria x ananassa]" 94.12 160 97.50 99.38 7.86e-107 EMBL CAJ85641 "Major strawberry allergen Fra a 1-B [Fragaria x ananassa]" 94.12 160 97.50 99.38 7.86e-107 EMBL CAJ85643 "Major strawberry allergen Fra a 1-C [Fragaria x ananassa]" 94.12 159 97.50 98.75 1.85e-104 GB ABD39049 "Fra a 1-A allergen [Fragaria x ananassa]" 94.12 160 97.50 99.38 7.28e-107 REF XP_004296887 "PREDICTED: major allergen Pru av 1-like [Fragaria vesca subsp. vesca]" 94.12 160 97.50 99.38 7.28e-107 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $Strawberry Strawberry 3747 Eukaryota Viridiplantae Fragaria ananassa stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $Strawberry 'recombinant technology' . Escherichia coli . pQE70 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Strawberry 700 uM '[U-99% 13C; U-99% 15N]' 'sodium chloride' 150 mM 'natural abundance' HEPES 20 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_xwinnmr _Saveframe_category software _Name xwinnmr _Version 3.6 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ save_NMRView _Saveframe_category software _Name NMRView _Version . loop_ _Vendor _Address _Electronic_address 'Johnson, One Moon Scientific' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_X-PLOR_NIH _Saveframe_category software _Name 'X-PLOR NIH' _Version . loop_ _Vendor _Address _Electronic_address 'Schwieters, Kuszewski, Tjandra and Clore' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 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_1 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_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCACB_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_C(CO)NH_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_CCH-TOCSY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CCH-TOCSY' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aliphatic_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aromatic_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _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 pH 7.0 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC aliphatic' '2D 1H-13C HSQC aromatic' '3D HNCA' '3D HNCACB' '3D CBCA(CO)NH' '3D HCCH-TOCSY' '3D CCH-TOCSY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name Strawberry _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 1 MET HA H 4.79 0.03 1 2 1 1 MET CA C 55.07 0.20 1 3 2 2 GLY H H 8.47 0.03 1 4 2 2 GLY HA2 H 4.10 0.03 2 5 2 2 GLY HA3 H 3.84 0.03 2 6 2 2 GLY C C 173.15 0.20 1 7 2 2 GLY CA C 45.16 0.20 1 8 2 2 GLY N N 110.39 0.20 1 9 3 3 VAL H H 7.63 0.03 1 10 3 3 VAL HA H 4.92 0.03 1 11 3 3 VAL HB H 1.67 0.03 1 12 3 3 VAL HG1 H 0.58 0.03 2 13 3 3 VAL HG2 H 0.47 0.03 2 14 3 3 VAL CA C 61.02 0.20 1 15 3 3 VAL CB C 34.13 0.20 1 16 3 3 VAL CG1 C 20.79 0.20 2 17 3 3 VAL CG2 C 20.79 0.20 2 18 3 3 VAL N N 119.91 0.20 1 19 4 4 TYR H H 8.66 0.03 1 20 4 4 TYR HA H 4.67 0.03 1 21 4 4 TYR HB2 H 2.88 0.03 2 22 4 4 TYR HB3 H 2.88 0.03 2 23 4 4 TYR C C 174.67 0.20 1 24 4 4 TYR CA C 57.47 0.20 1 25 4 4 TYR CB C 41.27 0.20 1 26 4 4 TYR N N 119.93 0.20 1 27 5 5 THR H H 8.23 0.03 1 28 5 5 THR HA H 5.29 0.03 1 29 5 5 THR HB H 3.81 0.03 1 30 5 5 THR HG2 H 1.06 0.03 1 31 5 5 THR C C 173.18 0.20 1 32 5 5 THR CA C 61.78 0.20 1 33 5 5 THR CB C 70.36 0.20 1 34 5 5 THR CG2 C 21.57 0.20 1 35 5 5 THR N N 119.93 0.20 1 36 6 6 TYR H H 9.21 0.03 1 37 6 6 TYR HA H 5.29 0.03 1 38 6 6 TYR HB2 H 3.16 0.03 2 39 6 6 TYR HB3 H 3.16 0.03 2 40 6 6 TYR C C 174.38 0.20 1 41 6 6 TYR CA C 57.11 0.20 1 42 6 6 TYR CB C 41.85 0.20 1 43 6 6 TYR N N 125.06 0.20 1 44 7 7 GLU H H 8.83 0.03 1 45 7 7 GLU HA H 5.36 0.03 1 46 7 7 GLU HB2 H 2.07 0.03 2 47 7 7 GLU HB3 H 2.07 0.03 2 48 7 7 GLU HG2 H 2.22 0.03 2 49 7 7 GLU HG3 H 2.22 0.03 2 50 7 7 GLU C C 175.39 0.20 1 51 7 7 GLU CA C 54.98 0.20 1 52 7 7 GLU CB C 33.05 0.20 1 53 7 7 GLU CG C 36.17 0.20 1 54 7 7 GLU N N 122.36 0.20 1 55 8 8 ASN H H 8.80 0.03 1 56 8 8 ASN HA H 5.10 0.03 1 57 8 8 ASN HB2 H 2.74 0.03 2 58 8 8 ASN HB3 H 2.62 0.03 2 59 8 8 ASN HD21 H 7.84 0.03 1 60 8 8 ASN HD22 H 6.84 0.03 1 61 8 8 ASN CA C 52.62 0.20 1 62 8 8 ASN CB C 43.21 0.20 1 63 8 8 ASN N N 119.96 0.20 1 64 8 8 ASN ND2 N 112.84 0.20 1 65 9 9 GLU H H 8.33 0.03 1 66 9 9 GLU HA H 5.60 0.03 1 67 9 9 GLU HB2 H 1.85 0.03 2 68 9 9 GLU HB3 H 1.85 0.03 2 69 9 9 GLU HG2 H 2.07 0.03 2 70 9 9 GLU HG3 H 2.07 0.03 2 71 9 9 GLU C C 174.59 0.20 1 72 9 9 GLU CA C 54.77 0.20 1 73 9 9 GLU CB C 33.75 0.20 1 74 9 9 GLU CG C 36.42 0.20 1 75 9 9 GLU N N 121.42 0.20 1 76 10 10 PHE H H 8.76 0.03 1 77 10 10 PHE HA H 5.02 0.03 1 78 10 10 PHE HB2 H 3.14 0.03 2 79 10 10 PHE HB3 H 2.75 0.03 2 80 10 10 PHE C C 173.88 0.20 1 81 10 10 PHE CA C 55.55 0.20 1 82 10 10 PHE CB C 41.47 0.20 1 83 10 10 PHE N N 121.24 0.20 1 84 11 11 THR H H 8.47 0.03 1 85 11 11 THR HA H 5.17 0.03 1 86 11 11 THR HB H 4.20 0.03 1 87 11 11 THR HG2 H 1.20 0.03 1 88 11 11 THR C C 173.53 0.20 1 89 11 11 THR CA C 60.94 0.20 1 90 11 11 THR CB C 71.26 0.20 1 91 11 11 THR CG2 C 21.57 0.20 1 92 11 11 THR N N 113.11 0.20 1 93 12 12 SER H H 8.87 0.03 1 94 12 12 SER HB2 H 3.28 0.03 2 95 12 12 SER HB3 H 3.75 0.03 2 96 12 12 SER C C 173.53 0.20 1 97 12 12 SER CA C 56.46 0.20 1 98 12 12 SER CB C 66.32 0.20 1 99 12 12 SER N N 115.49 0.20 1 100 13 13 ASP H H 9.06 0.03 1 101 13 13 ASP HA H 4.74 0.03 1 102 13 13 ASP HB2 H 2.76 0.03 2 103 13 13 ASP HB3 H 2.59 0.03 2 104 13 13 ASP C C 174.52 0.20 1 105 13 13 ASP CA C 55.03 0.20 1 106 13 13 ASP CB C 41.00 0.20 1 107 13 13 ASP N N 126.65 0.20 1 108 14 14 ILE H H 8.47 0.03 1 109 14 14 ILE HA H 4.35 0.03 1 110 14 14 ILE HB H 2.04 0.03 1 111 14 14 ILE HG12 H 1.60 0.03 2 112 14 14 ILE HG13 H 1.39 0.03 2 113 14 14 ILE HG2 H 1.07 0.03 1 114 14 14 ILE HD1 H 0.85 0.03 1 115 14 14 ILE CA C 57.39 0.20 1 116 14 14 ILE CB C 37.34 0.20 1 117 14 14 ILE CG1 C 27.12 0.20 1 118 14 14 ILE CG2 C 16.98 0.20 1 119 14 14 ILE CD1 C 10.54 0.20 1 120 14 14 ILE N N 123.58 0.20 1 121 15 15 PRO HA H 4.44 0.03 1 122 15 15 PRO HB2 H 1.98 0.03 2 123 15 15 PRO HB3 H 2.57 0.03 2 124 15 15 PRO HG2 H 2.00 0.03 2 125 15 15 PRO HG3 H 2.09 0.03 2 126 15 15 PRO HD2 H 4.09 0.03 2 127 15 15 PRO HD3 H 3.61 0.03 2 128 15 15 PRO C C 177.13 0.20 1 129 15 15 PRO CA C 63.07 0.20 1 130 15 15 PRO CB C 33.45 0.20 1 131 15 15 PRO CG C 27.53 0.20 1 132 15 15 PRO CD C 51.45 0.20 1 133 16 16 ALA H H 8.57 0.03 1 134 16 16 ALA HA H 4.00 0.03 1 135 16 16 ALA HB H 1.17 0.03 1 136 16 16 ALA CA C 57.10 0.20 1 137 16 16 ALA CB C 16.30 0.20 1 138 16 16 ALA N N 126.78 0.20 1 139 17 17 PRO HA H 3.90 0.03 1 140 17 17 PRO HB2 H 2.17 0.03 2 141 17 17 PRO HB3 H 2.17 0.03 2 142 17 17 PRO HG2 H 1.93 0.03 2 143 17 17 PRO HG3 H 2.02 0.03 2 144 17 17 PRO HD2 H 2.51 0.03 2 145 17 17 PRO HD3 H 2.51 0.03 2 146 17 17 PRO C C 179.61 0.20 1 147 17 17 PRO CA C 66.01 0.20 1 148 17 17 PRO CB C 30.90 0.20 1 149 17 17 PRO CG C 28.66 0.20 1 150 17 17 PRO CD C 50.14 0.20 1 151 18 18 LYS H H 6.71 0.03 1 152 18 18 LYS HA H 4.14 0.03 1 153 18 18 LYS HB2 H 1.89 0.03 2 154 18 18 LYS HB3 H 1.95 0.03 2 155 18 18 LYS HG2 H 1.42 0.03 2 156 18 18 LYS HG3 H 1.42 0.03 2 157 18 18 LYS HD2 H 1.66 0.03 2 158 18 18 LYS HD3 H 1.56 0.03 2 159 18 18 LYS HE2 H 3.04 0.03 2 160 18 18 LYS HE3 H 3.04 0.03 2 161 18 18 LYS CA C 59.27 0.20 1 162 18 18 LYS CB C 32.32 0.20 1 163 18 18 LYS CG C 25.27 0.20 1 164 18 18 LYS CD C 29.13 0.20 1 165 18 18 LYS CE C 42.05 0.20 1 166 18 18 LYS N N 116.63 0.20 1 167 19 19 LEU H H 7.95 0.03 1 168 19 19 LEU HA H 3.84 0.03 1 169 19 19 LEU HB2 H 1.54 0.03 2 170 19 19 LEU HB3 H 1.54 0.03 2 171 19 19 LEU HD1 H 0.91 0.03 2 172 19 19 LEU HD2 H 0.80 0.03 2 173 19 19 LEU C C 178.38 0.20 1 174 19 19 LEU CA C 57.43 0.20 1 175 19 19 LEU CB C 42.09 0.20 1 176 19 19 LEU CG C 26.39 0.20 1 177 19 19 LEU CD1 C 24.07 0.20 2 178 19 19 LEU CD2 C 24.07 0.20 2 179 19 19 LEU N N 118.93 0.20 1 180 20 20 PHE H H 9.04 0.03 1 181 20 20 PHE HA H 3.85 0.03 1 182 20 20 PHE HB2 H 2.97 0.03 2 183 20 20 PHE HB3 H 2.97 0.03 2 184 20 20 PHE HD1 H 7.25 0.03 1 185 20 20 PHE HD2 H 7.25 0.03 1 186 20 20 PHE C C 177.68 0.20 1 187 20 20 PHE CA C 62.88 0.20 1 188 20 20 PHE CB C 39.42 0.20 1 189 20 20 PHE N N 118.66 0.20 1 190 21 21 LYS H H 7.63 0.03 1 191 21 21 LYS HA H 3.77 0.03 1 192 21 21 LYS HB2 H 1.81 0.03 2 193 21 21 LYS HB3 H 1.81 0.03 2 194 21 21 LYS HD2 H 1.58 0.03 2 195 21 21 LYS HD3 H 1.58 0.03 2 196 21 21 LYS HE2 H 3.05 0.03 2 197 21 21 LYS HE3 H 3.05 0.03 2 198 21 21 LYS C C 176.40 0.20 1 199 21 21 LYS CA C 60.16 0.20 1 200 21 21 LYS CB C 33.00 0.20 1 201 21 21 LYS CG C 26.02 0.20 1 202 21 21 LYS CD C 29.90 0.20 1 203 21 21 LYS CE C 42.30 0.20 1 204 21 21 LYS N N 118.43 0.20 1 205 22 22 ALA H H 7.39 0.03 1 206 22 22 ALA HA H 4.77 0.03 1 207 22 22 ALA HB H 0.92 0.03 1 208 22 22 ALA C C 175.45 0.20 1 209 22 22 ALA CA C 55.54 0.20 1 210 22 22 ALA CB C 20.20 0.20 1 211 22 22 ALA N N 118.71 0.20 1 212 23 23 PHE H H 8.40 0.03 1 213 23 23 PHE HA H 4.24 0.03 1 214 23 23 PHE HB2 H 3.01 0.03 2 215 23 23 PHE HB3 H 2.88 0.03 2 216 23 23 PHE HD1 H 6.97 0.03 1 217 23 23 PHE HD2 H 6.97 0.03 1 218 23 23 PHE HE1 H 7.21 0.03 1 219 23 23 PHE HE2 H 7.21 0.03 1 220 23 23 PHE C C 174.13 0.20 1 221 23 23 PHE CA C 58.32 0.20 1 222 23 23 PHE CB C 40.44 0.20 1 223 23 23 PHE N N 109.72 0.20 1 224 24 24 VAL H H 7.22 0.03 1 225 24 24 VAL HA H 3.32 0.03 1 226 24 24 VAL HB H 0.83 0.03 1 227 24 24 VAL HG1 H 0.21 0.03 2 228 24 24 VAL HG2 H -0.30 0.03 2 229 24 24 VAL C C 177.66 0.20 1 230 24 24 VAL CA C 63.50 0.20 1 231 24 24 VAL CB C 30.88 0.20 1 232 24 24 VAL CG1 C 20.80 0.20 2 233 24 24 VAL CG2 C 20.00 0.20 2 234 24 24 VAL N N 113.25 0.20 1 235 25 25 LEU H H 7.18 0.03 1 236 25 25 LEU HA H 3.89 0.03 1 237 25 25 LEU HB2 H 1.60 0.03 2 238 25 25 LEU HB3 H 1.69 0.03 2 239 25 25 LEU HG H 1.12 0.03 1 240 25 25 LEU HD1 H 0.88 0.03 2 241 25 25 LEU HD2 H 0.81 0.03 2 242 25 25 LEU CA C 57.91 0.20 1 243 25 25 LEU CB C 41.00 0.20 1 244 25 25 LEU CG C 26.30 0.20 1 245 25 25 LEU CD1 C 24.20 0.20 2 246 25 25 LEU CD2 C 24.20 0.20 2 247 25 25 LEU N N 116.25 0.20 1 248 26 26 ASP H H 8.07 0.03 1 249 26 26 ASP HA H 5.30 0.03 1 250 26 26 ASP HB2 H 2.91 0.03 2 251 26 26 ASP HB3 H 2.59 0.03 2 252 26 26 ASP C C 177.30 0.20 1 253 26 26 ASP CA C 53.17 0.20 1 254 26 26 ASP CB C 42.92 0.20 1 255 26 26 ASP N N 117.16 0.20 1 256 27 27 ALA H H 6.36 0.03 1 257 27 27 ALA HA H 3.76 0.03 1 258 27 27 ALA HB H 1.18 0.03 1 259 27 27 ALA C C 178.90 0.20 1 260 27 27 ALA CA C 56.04 0.20 1 261 27 27 ALA CB C 19.43 0.20 1 262 27 27 ALA N N 123.04 0.20 1 263 28 28 ASP H H 8.29 0.03 1 264 28 28 ASP HA H 3.98 0.03 1 265 28 28 ASP HB2 H 2.57 0.03 2 266 28 28 ASP HB3 H 2.57 0.03 2 267 28 28 ASP C C 175.85 0.20 1 268 28 28 ASP CA C 55.54 0.20 1 269 28 28 ASP CB C 39.64 0.20 1 270 28 28 ASP N N 115.06 0.20 1 271 29 29 ASN H H 7.36 0.03 1 272 29 29 ASN HA H 4.73 0.03 1 273 29 29 ASN HB2 H 2.71 0.03 2 274 29 29 ASN HB3 H 2.71 0.03 2 275 29 29 ASN C C 176.43 0.20 1 276 29 29 ASN CA C 53.61 0.20 1 277 29 29 ASN CB C 40.26 0.20 1 278 29 29 ASN N N 113.11 0.20 1 279 30 30 LEU H H 8.32 0.03 1 280 30 30 LEU HA H 4.02 0.03 1 281 30 30 LEU HB2 H 1.61 0.03 2 282 30 30 LEU HB3 H 1.61 0.03 2 283 30 30 LEU HG H 0.65 0.03 1 284 30 30 LEU HD1 H 0.45 0.03 2 285 30 30 LEU HD2 H 0.45 0.03 2 286 30 30 LEU CA C 57.80 0.20 1 287 30 30 LEU CB C 42.78 0.20 1 288 30 30 LEU CG C 25.44 0.20 1 289 30 30 LEU CD1 C 22.31 0.20 2 290 30 30 LEU CD2 C 22.31 0.20 2 291 30 30 LEU N N 120.63 0.20 1 292 31 31 ILE H H 8.14 0.03 1 293 31 31 ILE HA H 3.65 0.03 1 294 31 31 ILE HB H 1.96 0.03 1 295 31 31 ILE HG13 H 1.12 0.03 2 296 31 31 ILE HG2 H 0.89 0.03 1 297 31 31 ILE HD1 H 0.81 0.03 1 298 31 31 ILE CA C 66.80 0.20 1 299 31 31 ILE CB C 33.91 0.20 1 300 31 31 ILE CG1 C 29.24 0.20 1 301 31 31 ILE CG2 C 18.41 0.20 1 302 31 31 ILE CD1 C 11.86 0.20 1 303 31 31 ILE N N 116.17 0.20 1 304 32 32 PRO HA H 4.52 0.03 1 305 32 32 PRO HB2 H 2.33 0.03 2 306 32 32 PRO HB3 H 2.33 0.03 2 307 32 32 PRO HG2 H 2.04 0.03 2 308 32 32 PRO HG3 H 2.04 0.03 2 309 32 32 PRO HD2 H 3.34 0.03 2 310 32 32 PRO HD3 H 3.34 0.03 2 311 32 32 PRO C C 177.68 0.20 1 312 32 32 PRO CA C 65.52 0.20 1 313 32 32 PRO CB C 31.52 0.20 1 314 32 32 PRO CG C 26.65 0.20 1 315 32 32 PRO CD C 50.07 0.20 1 316 33 33 LYS H H 6.88 0.03 1 317 33 33 LYS HA H 4.15 0.03 1 318 33 33 LYS HB2 H 1.86 0.03 2 319 33 33 LYS HB3 H 1.86 0.03 2 320 33 33 LYS HG2 H 1.32 0.03 2 321 33 33 LYS HG3 H 1.32 0.03 2 322 33 33 LYS HD2 H 1.59 0.03 2 323 33 33 LYS HD3 H 1.59 0.03 2 324 33 33 LYS HE2 H 2.91 0.03 2 325 33 33 LYS HE3 H 2.91 0.03 2 326 33 33 LYS C C 178.22 0.20 1 327 33 33 LYS CA C 58.29 0.20 1 328 33 33 LYS CB C 32.91 0.20 1 329 33 33 LYS CG C 25.06 0.20 1 330 33 33 LYS CD C 29.53 0.20 1 331 33 33 LYS CE C 42.12 0.20 1 332 33 33 LYS N N 112.41 0.20 1 333 34 34 ILE H H 7.56 0.03 1 334 34 34 ILE HA H 4.32 0.03 1 335 34 34 ILE HB H 1.84 0.03 1 336 34 34 ILE HG12 H 1.07 0.03 2 337 34 34 ILE HG13 H 1.25 0.03 2 338 34 34 ILE HG2 H 0.65 0.03 1 339 34 34 ILE HD1 H 0.54 0.03 1 340 34 34 ILE C C 175.92 0.20 1 341 34 34 ILE CA C 61.82 0.20 1 342 34 34 ILE CB C 39.35 0.20 1 343 34 34 ILE CG1 C 25.54 0.20 1 344 34 34 ILE CG2 C 18.20 0.20 1 345 34 34 ILE CD1 C 14.50 0.20 1 346 34 34 ILE N N 112.26 0.20 1 347 35 35 ALA H H 8.82 0.03 1 348 35 35 ALA HA H 4.97 0.03 1 349 35 35 ALA HB H 1.19 0.03 1 350 35 35 ALA CA C 50.36 0.20 1 351 35 35 ALA CB C 19.26 0.20 1 352 35 35 ALA N N 124.42 0.20 1 353 36 36 PRO HA H 4.73 0.03 1 354 36 36 PRO HB2 H 2.51 0.03 2 355 36 36 PRO HB3 H 2.51 0.03 2 356 36 36 PRO HG2 H 2.10 0.03 2 357 36 36 PRO HG3 H 1.99 0.03 2 358 36 36 PRO HD2 H 3.63 0.03 2 359 36 36 PRO HD3 H 3.36 0.03 2 360 36 36 PRO C C 177.89 0.20 1 361 36 36 PRO CA C 64.24 0.20 1 362 36 36 PRO CB C 31.68 0.20 1 363 36 36 PRO CG C 27.55 0.20 1 364 36 36 PRO CD C 50.37 0.20 1 365 37 37 GLN H H 8.66 0.03 1 366 37 37 GLN HA H 4.25 0.03 1 367 37 37 GLN HB2 H 2.07 0.03 2 368 37 37 GLN HB3 H 2.07 0.03 2 369 37 37 GLN HG2 H 2.51 0.03 2 370 37 37 GLN HG3 H 2.36 0.03 2 371 37 37 GLN HE21 H 7.01 0.03 1 372 37 37 GLN HE22 H 7.68 0.03 1 373 37 37 GLN C C 177.74 0.20 1 374 37 37 GLN CA C 57.31 0.20 1 375 37 37 GLN CB C 27.52 0.20 1 376 37 37 GLN CG C 33.61 0.20 1 377 37 37 GLN N N 115.58 0.20 1 378 37 37 GLN NE2 N 111.99 0.20 1 379 38 38 ALA H H 8.03 0.03 1 380 38 38 ALA HA H 4.39 0.03 1 381 38 38 ALA HB H 1.45 0.03 1 382 38 38 ALA C C 177.85 0.20 1 383 38 38 ALA CA C 53.50 0.20 1 384 38 38 ALA CB C 19.83 0.20 1 385 38 38 ALA N N 123.25 0.20 1 386 39 39 VAL H H 7.66 0.03 1 387 39 39 VAL HA H 4.13 0.03 1 388 39 39 VAL HB H 2.10 0.03 1 389 39 39 VAL HG1 H 0.72 0.03 2 390 39 39 VAL HG2 H 0.81 0.03 2 391 39 39 VAL C C 172.75 0.20 1 392 39 39 VAL CA C 62.45 0.20 1 393 39 39 VAL CB C 32.63 0.20 1 394 39 39 VAL CG1 C 20.96 0.20 2 395 39 39 VAL CG2 C 20.96 0.20 2 396 39 39 VAL N N 117.33 0.20 1 397 40 40 LYS H H 8.91 0.03 1 398 40 40 LYS HA H 4.46 0.03 1 399 40 40 LYS HB2 H 1.78 0.03 2 400 40 40 LYS HB3 H 1.78 0.03 2 401 40 40 LYS HG2 H 1.36 0.03 2 402 40 40 LYS HG3 H 1.36 0.03 2 403 40 40 LYS HD2 H 1.63 0.03 2 404 40 40 LYS HD3 H 1.63 0.03 2 405 40 40 LYS HE2 H 2.95 0.03 2 406 40 40 LYS HE3 H 2.95 0.03 2 407 40 40 LYS C C 177.24 0.20 1 408 40 40 LYS CA C 57.45 0.20 1 409 40 40 LYS CB C 34.00 0.20 1 410 40 40 LYS CG C 25.00 0.20 1 411 40 40 LYS CD C 29.56 0.20 1 412 40 40 LYS CE C 41.20 0.20 1 413 40 40 LYS N N 125.27 0.20 1 414 41 41 CYS H H 7.68 0.03 1 415 41 41 CYS HA H 4.56 0.03 1 416 41 41 CYS HB2 H 2.99 0.03 2 417 41 41 CYS HB3 H 2.99 0.03 2 418 41 41 CYS C C 170.90 0.20 1 419 41 41 CYS CA C 57.02 0.20 1 420 41 41 CYS CB C 29.80 0.20 1 421 41 41 CYS N N 112.21 0.20 1 422 42 42 ALA H H 8.70 0.03 1 423 42 42 ALA HA H 5.22 0.03 1 424 42 42 ALA HB H 1.15 0.03 1 425 42 42 ALA C C 175.69 0.20 1 426 42 42 ALA CA C 50.98 0.20 1 427 42 42 ALA CB C 22.00 0.20 1 428 42 42 ALA N N 125.62 0.20 1 429 43 43 GLU H H 8.81 0.03 1 430 43 43 GLU HA H 4.66 0.03 1 431 43 43 GLU HB2 H 1.88 0.03 2 432 43 43 GLU HB3 H 1.88 0.03 2 433 43 43 GLU HG2 H 2.01 0.03 2 434 43 43 GLU HG3 H 2.01 0.03 2 435 43 43 GLU CA C 54.37 0.20 1 436 43 43 GLU CB C 34.12 0.20 1 437 43 43 GLU CG C 36.38 0.20 1 438 43 43 GLU N N 120.73 0.20 1 439 44 44 ILE HA H 4.04 0.03 1 440 44 44 ILE HB H 1.83 0.03 1 441 44 44 ILE HG12 H 1.62 0.03 2 442 44 44 ILE HG13 H 1.62 0.03 2 443 44 44 ILE HG2 H 0.72 0.03 1 444 44 44 ILE HD1 H 0.77 0.03 1 445 44 44 ILE C C 176.19 0.20 1 446 44 44 ILE CA C 61.99 0.20 1 447 44 44 ILE CB C 37.78 0.20 1 448 44 44 ILE CG1 C 28.32 0.20 1 449 44 44 ILE CG2 C 18.00 0.20 1 450 44 44 ILE CD1 C 12.00 0.20 1 451 45 45 LEU H H 9.09 0.03 1 452 45 45 LEU HA H 4.45 0.03 1 453 45 45 LEU HB2 H 1.62 0.03 2 454 45 45 LEU HB3 H 1.62 0.03 2 455 45 45 LEU HD1 H 0.88 0.03 2 456 45 45 LEU HD2 H 0.77 0.03 2 457 45 45 LEU C C 177.27 0.20 1 458 45 45 LEU CA C 56.01 0.20 1 459 45 45 LEU CB C 42.48 0.20 1 460 45 45 LEU CG C 26.12 0.20 1 461 45 45 LEU CD1 C 24.44 0.20 2 462 45 45 LEU CD2 C 24.44 0.20 2 463 45 45 LEU N N 129.03 0.20 1 464 46 46 GLU H H 7.70 0.03 1 465 46 46 GLU HA H 4.61 0.03 1 466 46 46 GLU HB2 H 2.13 0.03 2 467 46 46 GLU HB3 H 1.97 0.03 2 468 46 46 GLU HG2 H 2.26 0.03 2 469 46 46 GLU HG3 H 2.19 0.03 2 470 46 46 GLU C C 174.84 0.20 1 471 46 46 GLU CA C 55.61 0.20 1 472 46 46 GLU CB C 33.57 0.20 1 473 46 46 GLU CG C 36.28 0.20 1 474 46 46 GLU N N 116.64 0.20 1 475 47 47 GLY H H 8.62 0.03 1 476 47 47 GLY HA2 H 4.62 0.03 2 477 47 47 GLY HA3 H 3.82 0.03 2 478 47 47 GLY C C 173.63 0.20 1 479 47 47 GLY CA C 44.68 0.20 1 480 47 47 GLY N N 110.23 0.20 1 481 48 48 ASP H H 7.96 0.03 1 482 48 48 ASP HA H 4.77 0.03 1 483 48 48 ASP HB2 H 3.09 0.03 2 484 48 48 ASP HB3 H 2.58 0.03 2 485 48 48 ASP C C 177.34 0.20 1 486 48 48 ASP CA C 52.92 0.20 1 487 48 48 ASP CB C 41.68 0.20 1 488 48 48 ASP N N 115.22 0.20 1 489 49 49 GLY H H 8.75 0.03 1 490 49 49 GLY HA2 H 4.67 0.03 2 491 49 49 GLY HA3 H 3.44 0.03 2 492 49 49 GLY C C 174.75 0.20 1 493 49 49 GLY CA C 45.31 0.20 1 494 49 49 GLY N N 110.90 0.20 1 495 50 50 GLY H H 8.30 0.03 1 496 50 50 GLY HA2 H 4.05 0.03 2 497 50 50 GLY HA3 H 4.50 0.03 2 498 50 50 GLY CA C 43.60 0.20 1 499 50 50 GLY N N 107.02 0.20 1 500 51 51 PRO HA H 3.96 0.03 1 501 51 51 PRO HB2 H 2.04 0.03 2 502 51 51 PRO HB3 H 2.04 0.03 2 503 51 51 PRO C C 176.78 0.20 1 504 51 51 PRO CA C 65.00 0.20 1 505 51 51 PRO CB C 31.87 0.20 1 506 51 51 PRO CG C 28.47 0.20 1 507 51 51 PRO CD C 50.13 0.20 1 508 52 52 GLY H H 9.24 0.03 1 509 52 52 GLY HA2 H 4.03 0.03 2 510 52 52 GLY HA3 H 4.03 0.03 2 511 52 52 GLY C C 174.17 0.20 1 512 52 52 GLY CA C 44.68 0.20 1 513 52 52 GLY N N 114.32 0.20 1 514 53 53 THR H H 7.91 0.03 1 515 53 53 THR HA H 4.66 0.03 1 516 53 53 THR HB H 4.04 0.03 1 517 53 53 THR HG2 H 1.30 0.03 1 518 53 53 THR C C 173.51 0.20 1 519 53 53 THR CA C 64.58 0.20 1 520 53 53 THR CB C 70.07 0.20 1 521 53 53 THR CG2 C 21.42 0.20 1 522 53 53 THR N N 118.90 0.20 1 523 54 54 ILE H H 8.55 0.03 1 524 54 54 ILE HA H 5.31 0.03 1 525 54 54 ILE HB H 1.78 0.03 1 526 54 54 ILE HG12 H 1.23 0.03 2 527 54 54 ILE HG13 H 1.23 0.03 2 528 54 54 ILE HG2 H 0.87 0.03 1 529 54 54 ILE HD1 H 0.93 0.03 1 530 54 54 ILE C C 175.26 0.20 1 531 54 54 ILE CA C 59.87 0.20 1 532 54 54 ILE CB C 39.45 0.20 1 533 54 54 ILE CG1 C 27.44 0.20 1 534 54 54 ILE CG2 C 17.60 0.20 1 535 54 54 ILE CD1 C 12.47 0.20 1 536 54 54 ILE N N 124.83 0.20 1 537 55 55 LYS H H 9.40 0.03 1 538 55 55 LYS HA H 5.30 0.03 1 539 55 55 LYS HB2 H 1.82 0.03 2 540 55 55 LYS HB3 H 1.82 0.03 2 541 55 55 LYS HD2 H 1.53 0.03 2 542 55 55 LYS HD3 H 1.60 0.03 2 543 55 55 LYS HE2 H 2.92 0.03 2 544 55 55 LYS HE3 H 2.92 0.03 2 545 55 55 LYS C C 173.95 0.20 1 546 55 55 LYS CA C 53.83 0.20 1 547 55 55 LYS CB C 36.73 0.20 1 548 55 55 LYS CG C 25.08 0.20 1 549 55 55 LYS CD C 29.61 0.20 1 550 55 55 LYS CE C 41.18 0.20 1 551 55 55 LYS N N 126.97 0.20 1 552 56 56 LYS H H 9.36 0.03 1 553 56 56 LYS HA H 5.28 0.03 1 554 56 56 LYS HB2 H 1.91 0.03 2 555 56 56 LYS HB3 H 1.83 0.03 2 556 56 56 LYS HG2 H 1.45 0.03 2 557 56 56 LYS HG3 H 1.45 0.03 2 558 56 56 LYS HD2 H 1.66 0.03 2 559 56 56 LYS HD3 H 1.66 0.03 2 560 56 56 LYS HE2 H 2.91 0.03 2 561 56 56 LYS HE3 H 2.91 0.03 2 562 56 56 LYS C C 175.23 0.20 1 563 56 56 LYS CA C 54.79 0.20 1 564 56 56 LYS CB C 36.06 0.20 1 565 56 56 LYS CG C 24.93 0.20 1 566 56 56 LYS CD C 29.61 0.20 1 567 56 56 LYS CE C 41.81 0.20 1 568 56 56 LYS N N 124.22 0.20 1 569 57 57 ILE H H 9.24 0.03 1 570 57 57 ILE HA H 4.64 0.03 1 571 57 57 ILE HB H 1.57 0.03 1 572 57 57 ILE HG12 H 1.19 0.03 2 573 57 57 ILE HG13 H 1.48 0.03 2 574 57 57 ILE HG2 H 0.79 0.03 1 575 57 57 ILE HD1 H 0.42 0.03 1 576 57 57 ILE C C 174.84 0.20 1 577 57 57 ILE CA C 60.48 0.20 1 578 57 57 ILE CB C 39.27 0.20 1 579 57 57 ILE CG1 C 27.70 0.20 1 580 57 57 ILE CG2 C 18.00 0.20 1 581 57 57 ILE CD1 C 13.20 0.20 1 582 57 57 ILE N N 132.38 0.20 1 583 58 58 THR H H 8.72 0.03 1 584 58 58 THR HA H 5.18 0.03 1 585 58 58 THR HB H 4.17 0.03 1 586 58 58 THR HG2 H 1.34 0.03 1 587 58 58 THR C C 174.26 0.20 1 588 58 58 THR CA C 61.72 0.20 1 589 58 58 THR CB C 70.64 0.20 1 590 58 58 THR CG2 C 21.96 0.20 1 591 58 58 THR N N 122.31 0.20 1 592 59 59 PHE H H 8.57 0.03 1 593 59 59 PHE HA H 5.02 0.03 1 594 59 59 PHE HB2 H 2.95 0.03 2 595 59 59 PHE HB3 H 2.95 0.03 2 596 59 59 PHE HD1 H 7.18 0.03 1 597 59 59 PHE HD2 H 7.18 0.03 1 598 59 59 PHE C C 174.51 0.20 1 599 59 59 PHE CA C 56.45 0.20 1 600 59 59 PHE CB C 41.01 0.20 1 601 59 59 PHE N N 124.57 0.20 1 602 60 60 GLY H H 7.80 0.03 1 603 60 60 GLY HA2 H 4.13 0.03 2 604 60 60 GLY HA3 H 4.04 0.03 2 605 60 60 GLY C C 173.50 0.20 1 606 60 60 GLY CA C 44.83 0.20 1 607 60 60 GLY N N 104.60 0.20 1 608 61 61 GLU H H 8.29 0.03 1 609 61 61 GLU HA H 4.11 0.03 1 610 61 61 GLU HB2 H 1.98 0.03 2 611 61 61 GLU HB3 H 1.98 0.03 2 612 61 61 GLU HG2 H 2.23 0.03 2 613 61 61 GLU HG3 H 2.23 0.03 2 614 61 61 GLU CA C 56.80 0.20 1 615 61 61 GLU CB C 30.94 0.20 1 616 61 61 GLU CG C 36.47 0.20 1 617 61 61 GLU N N 119.40 0.20 1 618 62 62 GLY H H 8.87 0.03 1 619 62 62 GLY HA2 H 3.96 0.03 2 620 62 62 GLY HA3 H 3.96 0.03 2 621 62 62 GLY CA C 46.20 0.20 1 622 62 62 GLY N N 110.94 0.20 1 623 66 66 GLY HA2 H 4.12 0.03 2 624 66 66 GLY HA3 H 3.85 0.03 2 625 66 66 GLY C C 176.93 0.20 1 626 66 66 GLY CA C 45.08 0.20 1 627 67 67 TYR H H 8.11 0.03 1 628 67 67 TYR HA H 5.58 0.03 1 629 67 67 TYR HB2 H 2.82 0.03 2 630 67 67 TYR HB3 H 2.93 0.03 2 631 67 67 TYR HD1 H 6.84 0.03 1 632 67 67 TYR HD2 H 6.84 0.03 1 633 67 67 TYR C C 175.47 0.20 1 634 67 67 TYR CA C 55.92 0.20 1 635 67 67 TYR CB C 41.72 0.20 1 636 67 67 TYR N N 115.49 0.20 1 637 68 68 VAL H H 8.84 0.03 1 638 68 68 VAL HA H 5.02 0.03 1 639 68 68 VAL HB H 2.29 0.03 1 640 68 68 VAL HG1 H 1.24 0.03 2 641 68 68 VAL HG2 H 0.80 0.03 2 642 68 68 VAL C C 175.48 0.20 1 643 68 68 VAL CA C 59.50 0.20 1 644 68 68 VAL CB C 36.46 0.20 1 645 68 68 VAL CG1 C 23.74 0.20 2 646 68 68 VAL CG2 C 18.89 0.20 2 647 68 68 VAL N N 111.98 0.20 1 648 69 69 LYS H H 8.59 0.03 1 649 69 69 LYS HA H 5.70 0.03 1 650 69 69 LYS HG2 H 1.25 0.03 2 651 69 69 LYS HG3 H 1.25 0.03 2 652 69 69 LYS HD2 H 1.66 0.03 2 653 69 69 LYS HD3 H 1.66 0.03 2 654 69 69 LYS HE2 H 3.00 0.03 2 655 69 69 LYS HE3 H 3.00 0.03 2 656 69 69 LYS C C 175.74 0.20 1 657 69 69 LYS CA C 55.37 0.20 1 658 69 69 LYS CB C 36.58 0.20 1 659 69 69 LYS CG C 24.90 0.20 1 660 69 69 LYS CD C 29.54 0.20 1 661 69 69 LYS CE C 41.90 0.20 1 662 69 69 LYS N N 118.43 0.20 1 663 70 70 HIS H H 9.16 0.03 1 664 70 70 HIS HA H 6.19 0.03 1 665 70 70 HIS HB2 H 2.84 0.03 2 666 70 70 HIS HB3 H 2.84 0.03 2 667 70 70 HIS C C 174.59 0.20 1 668 70 70 HIS CA C 51.84 0.20 1 669 70 70 HIS CB C 36.01 0.20 1 670 70 70 HIS N N 122.59 0.20 1 671 71 71 LYS H H 9.46 0.03 1 672 71 71 LYS HA H 5.49 0.03 1 673 71 71 LYS HB2 H 1.92 0.03 2 674 71 71 LYS HB3 H 1.80 0.03 2 675 71 71 LYS HD2 H 1.66 0.03 2 676 71 71 LYS HD3 H 1.66 0.03 2 677 71 71 LYS HE2 H 3.00 0.03 2 678 71 71 LYS HE3 H 2.95 0.03 2 679 71 71 LYS C C 175.50 0.20 1 680 71 71 LYS CA C 54.04 0.20 1 681 71 71 LYS CB C 35.87 0.20 1 682 71 71 LYS CG C 24.87 0.20 1 683 71 71 LYS CD C 29.63 0.20 1 684 71 71 LYS CE C 42.00 0.20 1 685 71 71 LYS N N 122.76 0.20 1 686 72 72 ILE H H 9.32 0.03 1 687 72 72 ILE HA H 3.88 0.03 1 688 72 72 ILE HB H 2.05 0.03 1 689 72 72 ILE HG12 H 1.50 0.03 2 690 72 72 ILE HG13 H 1.50 0.03 2 691 72 72 ILE HG2 H 1.00 0.03 1 692 72 72 ILE HD1 H 0.88 0.03 1 693 72 72 ILE C C 175.43 0.20 1 694 72 72 ILE CA C 62.40 0.20 1 695 72 72 ILE CB C 38.04 0.20 1 696 72 72 ILE CG1 C 28.06 0.20 1 697 72 72 ILE CG2 C 17.59 0.20 1 698 72 72 ILE CD1 C 12.69 0.20 1 699 72 72 ILE N N 127.87 0.20 1 700 73 73 HIS H H 9.08 0.03 1 701 73 73 HIS HA H 5.12 0.03 1 702 73 73 HIS HB2 H 3.05 0.03 2 703 73 73 HIS HB3 H 3.05 0.03 2 704 73 73 HIS HD2 H 6.80 0.03 1 705 73 73 HIS C C 176.24 0.20 1 706 73 73 HIS CA C 56.97 0.20 1 707 73 73 HIS CB C 31.94 0.20 1 708 73 73 HIS CD2 C 118.96 0.20 1 709 73 73 HIS N N 127.69 0.20 1 710 74 74 SER H H 8.18 0.03 1 711 74 74 SER HA H 4.76 0.03 1 712 74 74 SER HB2 H 3.88 0.03 2 713 74 74 SER HB3 H 3.88 0.03 2 714 74 74 SER C C 172.62 0.20 1 715 74 74 SER CA C 57.88 0.20 1 716 74 74 SER CB C 66.79 0.20 1 717 74 74 SER N N 110.90 0.20 1 718 75 75 ILE H H 8.73 0.03 1 719 75 75 ILE HA H 4.68 0.03 1 720 75 75 ILE HB H 1.97 0.03 1 721 75 75 ILE HG12 H 1.72 0.03 2 722 75 75 ILE HG13 H 1.20 0.03 2 723 75 75 ILE HG2 H 1.03 0.03 1 724 75 75 ILE HD1 H 0.97 0.03 1 725 75 75 ILE C C 174.01 0.20 1 726 75 75 ILE CA C 62.14 0.20 1 727 75 75 ILE CB C 41.31 0.20 1 728 75 75 ILE CG1 C 28.40 0.20 1 729 75 75 ILE CG2 C 18.31 0.20 1 730 75 75 ILE CD1 C 14.20 0.20 1 731 75 75 ILE N N 123.78 0.20 1 732 76 76 ASP H H 9.11 0.03 1 733 76 76 ASP HA H 5.08 0.03 1 734 76 76 ASP HB2 H 2.48 0.03 2 735 76 76 ASP HB3 H 3.33 0.03 2 736 76 76 ASP C C 176.68 0.20 1 737 76 76 ASP CA C 52.13 0.20 1 738 76 76 ASP CB C 41.55 0.20 1 739 76 76 ASP N N 127.28 0.20 1 740 77 77 LYS H H 8.89 0.03 1 741 77 77 LYS HA H 3.98 0.03 1 742 77 77 LYS HB2 H 1.93 0.03 2 743 77 77 LYS HB3 H 1.80 0.03 2 744 77 77 LYS HG2 H 1.17 0.03 2 745 77 77 LYS HG3 H 1.17 0.03 2 746 77 77 LYS HD2 H 1.60 0.03 2 747 77 77 LYS HD3 H 1.60 0.03 2 748 77 77 LYS HE2 H 3.07 0.03 2 749 77 77 LYS HE3 H 3.07 0.03 2 750 77 77 LYS C C 175.98 0.20 1 751 77 77 LYS CA C 57.42 0.20 1 752 77 77 LYS CB C 32.78 0.20 1 753 77 77 LYS CG C 26.06 0.20 1 754 77 77 LYS CD C 29.82 0.20 1 755 77 77 LYS CE C 42.18 0.20 1 756 77 77 LYS N N 122.40 0.20 1 757 78 78 VAL H H 8.11 0.03 1 758 78 78 VAL HA H 3.66 0.03 1 759 78 78 VAL HB H 2.00 0.03 1 760 78 78 VAL HG1 H 0.78 0.03 2 761 78 78 VAL HG2 H 0.94 0.03 2 762 78 78 VAL C C 176.29 0.20 1 763 78 78 VAL CA C 64.42 0.20 1 764 78 78 VAL CB C 32.10 0.20 1 765 78 78 VAL CG1 C 20.74 0.20 2 766 78 78 VAL CG2 C 20.74 0.20 2 767 78 78 VAL N N 119.30 0.20 1 768 79 79 ASN H H 7.70 0.03 1 769 79 79 ASN HA H 4.48 0.03 1 770 79 79 ASN HB2 H 2.70 0.03 2 771 79 79 ASN HB3 H 2.32 0.03 2 772 79 79 ASN HD21 H 8.70 0.03 1 773 79 79 ASN HD22 H 7.00 0.03 1 774 79 79 ASN C C 173.67 0.20 1 775 79 79 ASN CA C 52.54 0.20 1 776 79 79 ASN CB C 39.09 0.20 1 777 79 79 ASN N N 114.40 0.20 1 778 79 79 ASN ND2 N 117.93 0.20 1 779 80 80 HIS H H 6.98 0.03 1 780 80 80 HIS HD2 H 6.00 0.03 1 781 80 80 HIS C C 173.45 0.20 1 782 80 80 HIS CA C 56.53 0.20 1 783 80 80 HIS CB C 27.20 0.20 1 784 80 80 HIS CD2 C 120.45 0.20 1 785 80 80 HIS N N 115.53 0.20 1 786 81 81 THR H H 7.99 0.03 1 787 81 81 THR HA H 5.73 0.03 1 788 81 81 THR HB H 4.24 0.03 1 789 81 81 THR HG2 H 1.20 0.03 1 790 81 81 THR C C 172.98 0.20 1 791 81 81 THR CA C 60.19 0.20 1 792 81 81 THR CB C 71.74 0.20 1 793 81 81 THR CG2 C 21.59 0.20 1 794 81 81 THR N N 109.60 0.20 1 795 82 82 TYR H H 9.30 0.03 1 796 82 82 TYR HA H 5.70 0.03 1 797 82 82 TYR HB2 H 3.29 0.03 2 798 82 82 TYR HB3 H 3.00 0.03 2 799 82 82 TYR HD1 H 7.19 0.03 1 800 82 82 TYR HD2 H 7.19 0.03 1 801 82 82 TYR HE1 H 6.46 0.03 1 802 82 82 TYR HE2 H 6.46 0.03 1 803 82 82 TYR C C 173.60 0.20 1 804 82 82 TYR CA C 55.33 0.20 1 805 82 82 TYR CB C 42.81 0.20 1 806 82 82 TYR N N 125.00 0.20 1 807 83 83 SER H H 9.09 0.03 1 808 83 83 SER HA H 5.67 0.03 1 809 83 83 SER HB2 H 3.85 0.03 2 810 83 83 SER HB3 H 3.85 0.03 2 811 83 83 SER C C 173.49 0.20 1 812 83 83 SER CA C 56.42 0.20 1 813 83 83 SER CB C 65.52 0.20 1 814 83 83 SER N N 121.82 0.20 1 815 84 84 TYR H H 8.79 0.03 1 816 84 84 TYR HA H 5.23 0.03 1 817 84 84 TYR HB2 H 2.75 0.03 2 818 84 84 TYR HB3 H 2.63 0.03 2 819 84 84 TYR HD1 H 5.88 0.03 1 820 84 84 TYR HD2 H 5.88 0.03 1 821 84 84 TYR HE1 H 5.83 0.03 1 822 84 84 TYR HE2 H 5.83 0.03 1 823 84 84 TYR C C 172.53 0.20 1 824 84 84 TYR CA C 56.42 0.20 1 825 84 84 TYR CB C 40.95 0.20 1 826 84 84 TYR N N 122.97 0.20 1 827 85 85 SER H H 9.35 0.03 1 828 85 85 SER HA H 5.70 0.03 1 829 85 85 SER HB2 H 3.54 0.03 2 830 85 85 SER HB3 H 3.54 0.03 2 831 85 85 SER C C 173.18 0.20 1 832 85 85 SER CA C 57.51 0.20 1 833 85 85 SER CB C 65.94 0.20 1 834 85 85 SER N N 114.20 0.20 1 835 86 86 LEU H H 9.90 0.03 1 836 86 86 LEU HA H 5.23 0.03 1 837 86 86 LEU HB2 H 1.84 0.03 2 838 86 86 LEU HB3 H 2.19 0.03 2 839 86 86 LEU HD1 H 1.34 0.03 2 840 86 86 LEU HD2 H 1.08 0.03 2 841 86 86 LEU C C 176.23 0.20 1 842 86 86 LEU CA C 55.59 0.20 1 843 86 86 LEU CB C 44.15 0.20 1 844 86 86 LEU CG C 28.60 0.20 1 845 86 86 LEU CD1 C 26.27 0.20 2 846 86 86 LEU CD2 C 26.59 0.20 2 847 86 86 LEU N N 128.88 0.20 1 848 87 87 ILE H H 8.18 0.03 1 849 87 87 ILE HA H 4.93 0.03 1 850 87 87 ILE HB H 2.29 0.03 1 851 87 87 ILE HG2 H 0.97 0.03 1 852 87 87 ILE HD1 H 0.97 0.03 1 853 87 87 ILE C C 176.08 0.20 1 854 87 87 ILE CA C 61.27 0.20 1 855 87 87 ILE CB C 39.83 0.20 1 856 87 87 ILE CG1 C 26.40 0.20 1 857 87 87 ILE CG2 C 18.80 0.20 1 858 87 87 ILE CD1 C 14.10 0.20 1 859 87 87 ILE N N 115.90 0.20 1 860 88 88 GLU H H 7.65 0.03 1 861 88 88 GLU HA H 4.51 0.03 1 862 88 88 GLU HG2 H 2.56 0.03 2 863 88 88 GLU HG3 H 2.33 0.03 2 864 88 88 GLU C C 174.02 0.20 1 865 88 88 GLU CA C 57.04 0.20 1 866 88 88 GLU CB C 34.97 0.20 1 867 88 88 GLU CG C 37.38 0.20 1 868 88 88 GLU N N 121.92 0.20 1 869 89 89 GLY H H 8.83 0.03 1 870 89 89 GLY HA2 H 3.60 0.03 2 871 89 89 GLY HA3 H 3.60 0.03 2 872 89 89 GLY C C 173.80 0.20 1 873 89 89 GLY CA C 44.95 0.20 1 874 89 89 GLY N N 111.65 0.20 1 875 90 90 ASP H H 8.43 0.03 1 876 90 90 ASP HA H 4.36 0.03 1 877 90 90 ASP HB2 H 2.79 0.03 2 878 90 90 ASP HB3 H 2.65 0.03 2 879 90 90 ASP C C 176.57 0.20 1 880 90 90 ASP CA C 57.04 0.20 1 881 90 90 ASP CB C 41.28 0.20 1 882 90 90 ASP N N 119.65 0.20 1 883 91 91 ALA H H 7.81 0.03 1 884 91 91 ALA HA H 4.24 0.03 1 885 91 91 ALA HB H 1.39 0.03 1 886 91 91 ALA C C 177.74 0.20 1 887 91 91 ALA CA C 53.21 0.20 1 888 91 91 ALA CB C 19.31 0.20 1 889 91 91 ALA N N 118.53 0.20 1 890 92 92 LEU H H 7.60 0.03 1 891 92 92 LEU HA H 4.46 0.03 1 892 92 92 LEU HB2 H 1.78 0.03 2 893 92 92 LEU HB3 H 1.93 0.03 2 894 92 92 LEU HG H 1.44 0.03 1 895 92 92 LEU HD1 H 0.81 0.03 2 896 92 92 LEU HD2 H 0.67 0.03 2 897 92 92 LEU C C 176.21 0.20 1 898 92 92 LEU CA C 54.02 0.20 1 899 92 92 LEU CB C 40.21 0.20 1 900 92 92 LEU CG C 26.60 0.20 1 901 92 92 LEU CD1 C 23.14 0.20 2 902 92 92 LEU CD2 C 23.14 0.20 2 903 92 92 LEU N N 117.33 0.20 1 904 93 93 SER H H 7.91 0.03 1 905 93 93 SER HA H 4.62 0.03 1 906 93 93 SER HB2 H 4.12 0.03 2 907 93 93 SER HB3 H 3.96 0.03 2 908 93 93 SER C C 173.97 0.20 1 909 93 93 SER CA C 57.73 0.20 1 910 93 93 SER CB C 64.92 0.20 1 911 93 93 SER N N 115.78 0.20 1 912 94 94 GLU H H 8.85 0.03 1 913 94 94 GLU HA H 4.16 0.03 1 914 94 94 GLU HB2 H 2.08 0.03 2 915 94 94 GLU HB3 H 2.08 0.03 2 916 94 94 GLU HG2 H 2.34 0.03 2 917 94 94 GLU HG3 H 2.34 0.03 2 918 94 94 GLU C C 176.57 0.20 1 919 94 94 GLU CA C 58.70 0.20 1 920 94 94 GLU CB C 29.21 0.20 1 921 94 94 GLU CG C 36.04 0.20 1 922 94 94 GLU N N 119.40 0.20 1 923 95 95 ASN H H 8.29 0.03 1 924 95 95 ASN HA H 4.80 0.03 1 925 95 95 ASN HB2 H 3.08 0.03 2 926 95 95 ASN HB3 H 2.85 0.03 2 927 95 95 ASN HD21 H 6.99 0.03 1 928 95 95 ASN HD22 H 7.65 0.03 1 929 95 95 ASN C C 174.07 0.20 1 930 95 95 ASN CA C 54.12 0.20 1 931 95 95 ASN CB C 39.35 0.20 1 932 95 95 ASN N N 113.46 0.20 1 933 95 95 ASN ND2 N 112.54 0.20 1 934 96 96 ILE H H 7.77 0.03 1 935 96 96 ILE HA H 4.19 0.03 1 936 96 96 ILE HB H 1.85 0.03 1 937 96 96 ILE HG12 H 1.19 0.03 2 938 96 96 ILE HG13 H 1.19 0.03 2 939 96 96 ILE HG2 H 0.89 0.03 1 940 96 96 ILE HD1 H 0.89 0.03 1 941 96 96 ILE CA C 60.93 0.20 1 942 96 96 ILE CB C 38.87 0.20 1 943 96 96 ILE CG1 C 27.33 0.20 1 944 96 96 ILE CG2 C 17.50 0.20 1 945 96 96 ILE CD1 C 12.69 0.20 1 946 96 96 ILE N N 120.61 0.20 1 947 97 97 GLU H H 8.46 0.03 1 948 97 97 GLU HA H 4.79 0.03 1 949 97 97 GLU CA C 56.20 0.20 1 950 97 97 GLU CB C 32.95 0.20 1 951 97 97 GLU N N 126.67 0.20 1 952 98 98 LYS HA H 4.71 0.03 1 953 98 98 LYS HB2 H 1.94 0.03 2 954 98 98 LYS HB3 H 1.77 0.03 2 955 98 98 LYS HG2 H 1.08 0.03 2 956 98 98 LYS HG3 H 1.15 0.03 2 957 98 98 LYS HD2 H 1.45 0.03 2 958 98 98 LYS HD3 H 1.45 0.03 2 959 98 98 LYS HE2 H 2.06 0.03 2 960 98 98 LYS HE3 H 2.38 0.03 2 961 98 98 LYS C C 173.65 0.20 1 962 98 98 LYS CA C 55.97 0.20 1 963 98 98 LYS CB C 34.80 0.20 1 964 98 98 LYS CG C 23.74 0.20 1 965 98 98 LYS CD C 29.67 0.20 1 966 98 98 LYS CE C 40.80 0.20 1 967 99 99 ILE H H 7.72 0.03 1 968 99 99 ILE HA H 4.79 0.03 1 969 99 99 ILE HB H 1.35 0.03 1 970 99 99 ILE HG12 H 1.29 0.03 2 971 99 99 ILE HG13 H 0.23 0.03 2 972 99 99 ILE HG2 H -0.33 0.03 1 973 99 99 ILE HD1 H 0.68 0.03 1 974 99 99 ILE C C 174.69 0.20 1 975 99 99 ILE CA C 60.30 0.20 1 976 99 99 ILE CB C 41.55 0.20 1 977 99 99 ILE CG1 C 27.02 0.20 1 978 99 99 ILE CG2 C 16.60 0.20 1 979 99 99 ILE CD1 C 14.80 0.20 1 980 99 99 ILE N N 120.29 0.20 1 981 100 100 ASP H H 9.22 0.03 1 982 100 100 ASP HA H 5.10 0.03 1 983 100 100 ASP HB2 H 2.86 0.03 2 984 100 100 ASP HB3 H 2.57 0.03 2 985 100 100 ASP C C 174.49 0.20 1 986 100 100 ASP CA C 52.63 0.20 1 987 100 100 ASP CB C 42.85 0.20 1 988 100 100 ASP N N 126.97 0.20 1 989 101 101 TYR H H 9.14 0.03 1 990 101 101 TYR HA H 5.28 0.03 1 991 101 101 TYR HB2 H 1.35 0.03 2 992 101 101 TYR HB3 H 2.31 0.03 2 993 101 101 TYR HD1 H 6.55 0.03 1 994 101 101 TYR HD2 H 6.55 0.03 1 995 101 101 TYR C C 175.74 0.20 1 996 101 101 TYR CA C 56.98 0.20 1 997 101 101 TYR CB C 41.64 0.20 1 998 101 101 TYR N N 120.64 0.20 1 999 102 102 GLU H H 8.67 0.03 1 1000 102 102 GLU HA H 5.13 0.03 1 1001 102 102 GLU HB2 H 2.04 0.03 2 1002 102 102 GLU HB3 H 2.04 0.03 2 1003 102 102 GLU HG2 H 2.21 0.03 2 1004 102 102 GLU HG3 H 2.21 0.03 2 1005 102 102 GLU C C 175.36 0.20 1 1006 102 102 GLU CA C 55.87 0.20 1 1007 102 102 GLU CB C 33.07 0.20 1 1008 102 102 GLU CG C 37.04 0.20 1 1009 102 102 GLU N N 122.04 0.20 1 1010 103 103 THR H H 9.55 0.03 1 1011 103 103 THR HA H 5.58 0.03 1 1012 103 103 THR HB H 4.19 0.03 1 1013 103 103 THR HG2 H 1.34 0.03 1 1014 103 103 THR C C 172.78 0.20 1 1015 103 103 THR CA C 62.15 0.20 1 1016 103 103 THR CB C 71.75 0.20 1 1017 103 103 THR CG2 C 22.24 0.20 1 1018 103 103 THR N N 125.84 0.20 1 1019 104 104 LYS H H 9.43 0.03 1 1020 104 104 LYS HA H 5.24 0.03 1 1021 104 104 LYS HB2 H 1.92 0.03 2 1022 104 104 LYS HB3 H 1.82 0.03 2 1023 104 104 LYS HG2 H 1.44 0.03 2 1024 104 104 LYS HG3 H 1.35 0.03 2 1025 104 104 LYS HD2 H 1.66 0.03 2 1026 104 104 LYS HD3 H 1.66 0.03 2 1027 104 104 LYS HE2 H 2.91 0.03 2 1028 104 104 LYS HE3 H 2.91 0.03 2 1029 104 104 LYS C C 174.30 0.20 1 1030 104 104 LYS CA C 55.33 0.20 1 1031 104 104 LYS CB C 35.94 0.20 1 1032 104 104 LYS CG C 25.05 0.20 1 1033 104 104 LYS CD C 29.58 0.20 1 1034 104 104 LYS CE C 42.13 0.20 1 1035 104 104 LYS N N 126.99 0.20 1 1036 105 105 LEU H H 8.41 0.03 1 1037 105 105 LEU HA H 5.21 0.03 1 1038 105 105 LEU HB2 H 1.65 0.03 2 1039 105 105 LEU HB3 H 1.65 0.03 2 1040 105 105 LEU HG H 1.45 0.03 1 1041 105 105 LEU HD1 H 0.98 0.03 2 1042 105 105 LEU HD2 H 1.12 0.03 2 1043 105 105 LEU C C 175.78 0.20 1 1044 105 105 LEU CA C 54.62 0.20 1 1045 105 105 LEU CB C 41.95 0.20 1 1046 105 105 LEU CG C 29.17 0.20 1 1047 105 105 LEU CD1 C 25.24 0.20 2 1048 105 105 LEU CD2 C 25.24 0.20 2 1049 105 105 LEU N N 124.70 0.20 1 1050 106 106 VAL H H 9.18 0.03 1 1051 106 106 VAL HA H 4.43 0.03 1 1052 106 106 VAL HB H 2.20 0.03 1 1053 106 106 VAL HG1 H 0.91 0.03 2 1054 106 106 VAL HG2 H 0.98 0.03 2 1055 106 106 VAL C C 175.56 0.20 1 1056 106 106 VAL CA C 60.47 0.20 1 1057 106 106 VAL CB C 35.02 0.20 1 1058 106 106 VAL CG1 C 20.88 0.20 2 1059 106 106 VAL CG2 C 20.88 0.20 2 1060 106 106 VAL N N 123.29 0.20 1 1061 107 107 SER H H 8.91 0.03 1 1062 107 107 SER HA H 4.66 0.03 1 1063 107 107 SER HB2 H 3.98 0.03 2 1064 107 107 SER HB3 H 3.85 0.03 2 1065 107 107 SER C C 173.60 0.20 1 1066 107 107 SER CA C 59.86 0.20 1 1067 107 107 SER CB C 63.25 0.20 1 1068 107 107 SER N N 121.80 0.20 1 1069 108 108 ALA H H 8.31 0.03 1 1070 108 108 ALA HA H 4.63 0.03 1 1071 108 108 ALA HB H 1.15 0.03 1 1072 108 108 ALA CA C 49.62 0.20 1 1073 108 108 ALA CB C 18.80 0.20 1 1074 108 108 ALA N N 129.21 0.20 1 1075 109 109 PRO HA H 4.42 0.03 1 1076 109 109 PRO HB2 H 1.94 0.03 2 1077 109 109 PRO HB3 H 1.94 0.03 2 1078 109 109 PRO HG2 H 1.96 0.03 2 1079 109 109 PRO HG3 H 1.96 0.03 2 1080 109 109 PRO HD2 H 3.72 0.03 2 1081 109 109 PRO HD3 H 3.82 0.03 2 1082 109 109 PRO CA C 63.70 0.20 1 1083 109 109 PRO CB C 32.20 0.20 1 1084 109 109 PRO CG C 27.23 0.20 1 1085 109 109 PRO CD C 50.82 0.20 1 1086 110 110 HIS HA H 4.77 0.03 1 1087 110 110 HIS HB2 H 3.34 0.03 2 1088 110 110 HIS HB3 H 3.19 0.03 2 1089 110 110 HIS HD2 H 7.07 0.03 1 1090 110 110 HIS C C 175.76 0.20 1 1091 110 110 HIS CA C 55.39 0.20 1 1092 110 110 HIS CB C 29.41 0.20 1 1093 110 110 HIS CD2 C 119.71 0.20 1 1094 111 111 GLY H H 7.73 0.03 1 1095 111 111 GLY HA2 H 4.52 0.03 2 1096 111 111 GLY HA3 H 3.73 0.03 2 1097 111 111 GLY C C 174.39 0.20 1 1098 111 111 GLY CA C 45.13 0.20 1 1099 111 111 GLY N N 108.72 0.20 1 1100 112 112 GLY H H 7.60 0.03 1 1101 112 112 GLY HA2 H 3.92 0.03 2 1102 112 112 GLY HA3 H 4.09 0.03 2 1103 112 112 GLY C C 174.15 0.20 1 1104 112 112 GLY CA C 44.42 0.20 1 1105 112 112 GLY N N 107.67 0.20 1 1106 113 113 THR H H 9.07 0.03 1 1107 113 113 THR HA H 5.06 0.03 1 1108 113 113 THR HB H 3.57 0.03 1 1109 113 113 THR HG2 H 1.05 0.03 1 1110 113 113 THR C C 173.25 0.20 1 1111 113 113 THR CA C 62.99 0.20 1 1112 113 113 THR CB C 72.27 0.20 1 1113 113 113 THR CG2 C 23.76 0.20 1 1114 113 113 THR N N 119.83 0.20 1 1115 114 114 ILE H H 9.49 0.03 1 1116 114 114 ILE HA H 4.51 0.03 1 1117 114 114 ILE HB H 1.71 0.03 1 1118 114 114 ILE HG12 H 1.08 0.03 2 1119 114 114 ILE HG13 H 1.08 0.03 2 1120 114 114 ILE HG2 H 0.86 0.03 1 1121 114 114 ILE HD1 H 0.81 0.03 1 1122 114 114 ILE C C 174.37 0.20 1 1123 114 114 ILE CA C 61.16 0.20 1 1124 114 114 ILE CB C 39.97 0.20 1 1125 114 114 ILE CG1 C 27.81 0.20 1 1126 114 114 ILE CG2 C 18.05 0.20 1 1127 114 114 ILE CD1 C 13.18 0.20 1 1128 114 114 ILE N N 127.60 0.20 1 1129 115 115 ILE H H 9.22 0.03 1 1130 115 115 ILE HA H 4.50 0.03 1 1131 115 115 ILE HB H 1.19 0.03 1 1132 115 115 ILE HG12 H 1.13 0.03 2 1133 115 115 ILE HG13 H 0.54 0.03 2 1134 115 115 ILE HG2 H 0.53 0.03 1 1135 115 115 ILE HD1 H 0.14 0.03 1 1136 115 115 ILE C C 175.00 0.20 1 1137 115 115 ILE CA C 61.40 0.20 1 1138 115 115 ILE CB C 38.00 0.20 1 1139 115 115 ILE CG1 C 29.40 0.20 1 1140 115 115 ILE CG2 C 19.80 0.20 1 1141 115 115 ILE CD1 C 15.50 0.20 1 1142 115 115 ILE N N 129.20 0.20 1 1143 116 116 LYS H H 9.13 0.03 1 1144 116 116 LYS HA H 5.17 0.03 1 1145 116 116 LYS HB2 H 1.83 0.03 2 1146 116 116 LYS HB3 H 1.90 0.03 2 1147 116 116 LYS HG2 H 1.44 0.03 2 1148 116 116 LYS HG3 H 1.37 0.03 2 1149 116 116 LYS HD2 H 1.65 0.03 2 1150 116 116 LYS HD3 H 1.65 0.03 2 1151 116 116 LYS HE2 H 2.91 0.03 2 1152 116 116 LYS HE3 H 2.91 0.03 2 1153 116 116 LYS C C 176.30 0.20 1 1154 116 116 LYS CA C 55.37 0.20 1 1155 116 116 LYS CB C 34.58 0.20 1 1156 116 116 LYS CG C 25.29 0.20 1 1157 116 116 LYS CD C 29.58 0.20 1 1158 116 116 LYS CE C 41.96 0.20 1 1159 116 116 LYS N N 127.55 0.20 1 1160 117 117 THR H H 9.02 0.03 1 1161 117 117 THR HA H 5.73 0.03 1 1162 117 117 THR HB H 4.15 0.03 1 1163 117 117 THR HG2 H 1.37 0.03 1 1164 117 117 THR C C 174.62 0.20 1 1165 117 117 THR CA C 60.99 0.20 1 1166 117 117 THR CB C 71.75 0.20 1 1167 117 117 THR CG2 C 22.55 0.20 1 1168 117 117 THR N N 120.94 0.20 1 1169 118 118 THR H H 9.50 0.03 1 1170 118 118 THR HA H 5.17 0.03 1 1171 118 118 THR HB H 4.07 0.03 1 1172 118 118 THR HG2 H 1.19 0.03 1 1173 118 118 THR C C 173.76 0.20 1 1174 118 118 THR CA C 61.80 0.20 1 1175 118 118 THR CB C 70.72 0.20 1 1176 118 118 THR CG2 C 21.80 0.20 1 1177 118 118 THR N N 125.75 0.20 1 1178 119 119 SER H H 9.41 0.03 1 1179 119 119 SER HA H 5.27 0.03 1 1180 119 119 SER HB2 H 3.60 0.03 2 1181 119 119 SER HB3 H 3.57 0.03 2 1182 119 119 SER C C 172.96 0.20 1 1183 119 119 SER CA C 55.86 0.20 1 1184 119 119 SER CB C 66.72 0.20 1 1185 119 119 SER N N 122.25 0.20 1 1186 120 120 LYS H H 9.15 0.03 1 1187 120 120 LYS HA H 5.24 0.03 1 1188 120 120 LYS HB2 H 1.90 0.03 2 1189 120 120 LYS HB3 H 1.83 0.03 2 1190 120 120 LYS HG2 H 1.44 0.03 2 1191 120 120 LYS HG3 H 1.44 0.03 2 1192 120 120 LYS HD2 H 1.65 0.03 2 1193 120 120 LYS HD3 H 1.65 0.03 2 1194 120 120 LYS HE2 H 2.91 0.03 2 1195 120 120 LYS HE3 H 2.91 0.03 2 1196 120 120 LYS C C 174.78 0.20 1 1197 120 120 LYS CA C 54.83 0.20 1 1198 120 120 LYS CB C 36.16 0.20 1 1199 120 120 LYS CG C 24.79 0.20 1 1200 120 120 LYS CD C 29.62 0.20 1 1201 120 120 LYS CE C 41.76 0.20 1 1202 120 120 LYS N N 124.12 0.20 1 1203 121 121 TYR H H 9.80 0.03 1 1204 121 121 TYR HB2 H 2.62 0.03 2 1205 121 121 TYR HB3 H 3.44 0.03 2 1206 121 121 TYR HD1 H 7.13 0.03 1 1207 121 121 TYR HD2 H 7.13 0.03 1 1208 121 121 TYR CA C 58.00 0.20 1 1209 121 121 TYR CB C 40.20 0.20 1 1210 121 121 TYR N N 126.50 0.20 1 1211 122 122 HIS C C 174.67 0.20 1 1212 123 123 THR H H 8.92 0.03 1 1213 123 123 THR HA H 5.40 0.03 1 1214 123 123 THR HB H 4.43 0.03 1 1215 123 123 THR HG2 H 1.25 0.03 1 1216 123 123 THR C C 174.46 0.20 1 1217 123 123 THR CA C 60.23 0.20 1 1218 123 123 THR CB C 71.26 0.20 1 1219 123 123 THR CG2 C 21.72 0.20 1 1220 123 123 THR N N 125.75 0.20 1 1221 124 124 LYS H H 8.59 0.03 1 1222 124 124 LYS HA H 4.76 0.03 1 1223 124 124 LYS HB2 H 1.93 0.03 2 1224 124 124 LYS HB3 H 1.93 0.03 2 1225 124 124 LYS HG2 H 1.43 0.03 2 1226 124 124 LYS HG3 H 1.43 0.03 2 1227 124 124 LYS HD2 H 1.77 0.03 2 1228 124 124 LYS HD3 H 1.77 0.03 2 1229 124 124 LYS HE2 H 2.99 0.03 2 1230 124 124 LYS HE3 H 2.99 0.03 2 1231 124 124 LYS C C 176.45 0.20 1 1232 124 124 LYS CA C 55.51 0.20 1 1233 124 124 LYS CB C 33.90 0.20 1 1234 124 124 LYS CG C 25.03 0.20 1 1235 124 124 LYS CD C 29.85 0.20 1 1236 124 124 LYS CE C 42.22 0.20 1 1237 124 124 LYS N N 121.17 0.20 1 1238 125 125 GLY H H 8.39 0.03 1 1239 125 125 GLY HA2 H 4.13 0.03 2 1240 125 125 GLY HA3 H 3.91 0.03 2 1241 125 125 GLY C C 173.62 0.20 1 1242 125 125 GLY CA C 45.27 0.20 1 1243 125 125 GLY N N 110.07 0.20 1 1244 126 126 ASP H H 8.44 0.03 1 1245 126 126 ASP HA H 4.67 0.03 1 1246 126 126 ASP HB2 H 2.76 0.03 2 1247 126 126 ASP HB3 H 2.62 0.03 2 1248 126 126 ASP C C 175.58 0.20 1 1249 126 126 ASP CA C 54.29 0.20 1 1250 126 126 ASP CB C 40.36 0.20 1 1251 126 126 ASP N N 120.07 0.20 1 1252 127 127 VAL H H 7.62 0.03 1 1253 127 127 VAL HA H 4.24 0.03 1 1254 127 127 VAL HB H 2.01 0.03 1 1255 127 127 VAL HG1 H 0.89 0.03 2 1256 127 127 VAL HG2 H 0.89 0.03 2 1257 127 127 VAL C C 174.61 0.20 1 1258 127 127 VAL CA C 61.23 0.20 1 1259 127 127 VAL CB C 34.25 0.20 1 1260 127 127 VAL CG1 C 20.75 0.20 2 1261 127 127 VAL CG2 C 20.75 0.20 2 1262 127 127 VAL N N 119.62 0.20 1 1263 128 128 GLU H H 8.33 0.03 1 1264 128 128 GLU HA H 4.13 0.03 1 1265 128 128 GLU HB2 H 2.08 0.03 2 1266 128 128 GLU HB3 H 1.88 0.03 2 1267 128 128 GLU HG2 H 2.20 0.03 2 1268 128 128 GLU HG3 H 2.20 0.03 2 1269 128 128 GLU C C 175.68 0.20 1 1270 128 128 GLU CA C 55.54 0.20 1 1271 128 128 GLU CB C 30.79 0.20 1 1272 128 128 GLU CG C 36.16 0.20 1 1273 128 128 GLU N N 125.03 0.20 1 1274 129 129 ILE H H 7.38 0.03 1 1275 129 129 ILE HA H 3.96 0.03 1 1276 129 129 ILE HB H 1.44 0.03 1 1277 129 129 ILE HG12 H 0.92 0.03 2 1278 129 129 ILE HG13 H 0.92 0.03 2 1279 129 129 ILE HG2 H 0.31 0.03 1 1280 129 129 ILE HD1 H 0.41 0.03 1 1281 129 129 ILE C C 175.96 0.20 1 1282 129 129 ILE CA C 59.35 0.20 1 1283 129 129 ILE CB C 36.68 0.20 1 1284 129 129 ILE CG1 C 26.83 0.20 1 1285 129 129 ILE CG2 C 16.87 0.20 1 1286 129 129 ILE CD1 C 11.50 0.20 1 1287 129 129 ILE N N 124.07 0.20 1 1288 130 130 LYS H H 8.79 0.03 1 1289 130 130 LYS HA H 4.28 0.03 1 1290 130 130 LYS C C 177.66 0.20 1 1291 130 130 LYS CA C 55.85 0.20 1 1292 130 130 LYS CB C 32.81 0.20 1 1293 130 130 LYS CG C 24.87 0.20 1 1294 130 130 LYS CD C 28.94 0.20 1 1295 130 130 LYS CE C 42.18 0.20 1 1296 130 130 LYS N N 127.80 0.20 1 1297 131 131 GLU H H 8.88 0.03 1 1298 131 131 GLU HA H 3.81 0.03 1 1299 131 131 GLU HB2 H 1.98 0.03 2 1300 131 131 GLU HB3 H 1.98 0.03 2 1301 131 131 GLU HG2 H 2.31 0.03 2 1302 131 131 GLU HG3 H 2.26 0.03 2 1303 131 131 GLU C C 178.63 0.20 1 1304 131 131 GLU CA C 59.51 0.20 1 1305 131 131 GLU CB C 29.30 0.20 1 1306 131 131 GLU CG C 36.18 0.20 1 1307 131 131 GLU N N 125.06 0.20 1 1308 132 132 GLU H H 9.20 0.03 1 1309 132 132 GLU HA H 3.98 0.03 1 1310 132 132 GLU HB2 H 1.95 0.03 2 1311 132 132 GLU HB3 H 1.95 0.03 2 1312 132 132 GLU HG2 H 2.18 0.03 2 1313 132 132 GLU HG3 H 2.18 0.03 2 1314 132 132 GLU C C 178.63 0.20 1 1315 132 132 GLU CA C 59.61 0.20 1 1316 132 132 GLU CB C 28.98 0.20 1 1317 132 132 GLU CG C 36.00 0.20 1 1318 132 132 GLU N N 117.22 0.20 1 1319 133 133 HIS H H 7.50 0.03 1 1320 133 133 HIS HA H 4.47 0.03 1 1321 133 133 HIS HB2 H 3.19 0.03 2 1322 133 133 HIS HB3 H 3.19 0.03 2 1323 133 133 HIS C C 178.43 0.20 1 1324 133 133 HIS CA C 59.13 0.20 1 1325 133 133 HIS CB C 31.32 0.20 1 1326 133 133 HIS N N 119.81 0.20 1 1327 134 134 VAL H H 7.29 0.03 1 1328 134 134 VAL HA H 3.65 0.03 1 1329 134 134 VAL HB H 1.90 0.03 1 1330 134 134 VAL HG1 H 0.49 0.03 2 1331 134 134 VAL HG2 H 0.27 0.03 2 1332 134 134 VAL C C 179.17 0.20 1 1333 134 134 VAL CA C 65.18 0.20 1 1334 134 134 VAL CB C 31.71 0.20 1 1335 134 134 VAL CG1 C 20.71 0.20 2 1336 134 134 VAL CG2 C 20.71 0.20 2 1337 134 134 VAL N N 120.37 0.20 1 1338 135 135 LYS H H 8.31 0.03 1 1339 135 135 LYS HA H 3.96 0.03 1 1340 135 135 LYS HB2 H 1.89 0.03 2 1341 135 135 LYS HB3 H 1.89 0.03 2 1342 135 135 LYS HG2 H 1.40 0.03 2 1343 135 135 LYS HG3 H 1.40 0.03 2 1344 135 135 LYS HD2 H 1.68 0.03 2 1345 135 135 LYS HD3 H 1.68 0.03 2 1346 135 135 LYS HE2 H 2.97 0.03 2 1347 135 135 LYS HE3 H 2.97 0.03 2 1348 135 135 LYS C C 178.31 0.20 1 1349 135 135 LYS CA C 59.33 0.20 1 1350 135 135 LYS CB C 32.18 0.20 1 1351 135 135 LYS CG C 25.67 0.20 1 1352 135 135 LYS CD C 29.50 0.20 1 1353 135 135 LYS CE C 42.13 0.20 1 1354 135 135 LYS N N 121.31 0.20 1 1355 136 136 ALA H H 7.95 0.03 1 1356 136 136 ALA HA H 4.23 0.03 1 1357 136 136 ALA HB H 1.50 0.03 1 1358 136 136 ALA C C 180.93 0.20 1 1359 136 136 ALA CA C 55.02 0.20 1 1360 136 136 ALA CB C 17.75 0.20 1 1361 136 136 ALA N N 121.15 0.20 1 1362 137 137 GLY H H 7.93 0.03 1 1363 137 137 GLY HA2 H 3.80 0.03 2 1364 137 137 GLY HA3 H 3.91 0.03 2 1365 137 137 GLY C C 177.00 0.20 1 1366 137 137 GLY CA C 47.16 0.20 1 1367 137 137 GLY N N 105.64 0.20 1 1368 138 138 LYS H H 7.96 0.03 1 1369 138 138 LYS HA H 4.23 0.03 1 1370 138 138 LYS HB2 H 1.87 0.03 2 1371 138 138 LYS HB3 H 2.05 0.03 2 1372 138 138 LYS HE2 H 2.96 0.03 2 1373 138 138 LYS HE3 H 2.96 0.03 2 1374 138 138 LYS C C 178.86 0.20 1 1375 138 138 LYS CA C 59.79 0.20 1 1376 138 138 LYS CB C 32.67 0.20 1 1377 138 138 LYS CG C 25.90 0.20 1 1378 138 138 LYS CD C 29.50 0.20 1 1379 138 138 LYS CE C 42.04 0.20 1 1380 138 138 LYS N N 124.21 0.20 1 1381 139 139 GLU H H 8.37 0.03 1 1382 139 139 GLU HA H 4.14 0.03 1 1383 139 139 GLU HB2 H 2.10 0.03 2 1384 139 139 GLU HB3 H 2.10 0.03 2 1385 139 139 GLU HG2 H 2.30 0.03 2 1386 139 139 GLU HG3 H 2.30 0.03 2 1387 139 139 GLU C C 179.71 0.20 1 1388 139 139 GLU CA C 59.18 0.20 1 1389 139 139 GLU CB C 29.30 0.20 1 1390 139 139 GLU CG C 36.15 0.20 1 1391 139 139 GLU N N 119.72 0.20 1 1392 140 140 LYS H H 8.14 0.03 1 1393 140 140 LYS HA H 4.11 0.03 1 1394 140 140 LYS HB2 H 1.89 0.03 2 1395 140 140 LYS HB3 H 1.89 0.03 2 1396 140 140 LYS C C 179.21 0.20 1 1397 140 140 LYS CA C 59.61 0.20 1 1398 140 140 LYS CB C 32.38 0.20 1 1399 140 140 LYS CG C 25.23 0.20 1 1400 140 140 LYS CD C 29.98 0.20 1 1401 140 140 LYS CE C 42.15 0.20 1 1402 140 140 LYS N N 120.27 0.20 1 1403 141 141 ALA H H 7.73 0.03 1 1404 141 141 ALA HA H 4.04 0.03 1 1405 141 141 ALA HB H 1.48 0.03 1 1406 141 141 ALA C C 179.53 0.20 1 1407 141 141 ALA CA C 55.02 0.20 1 1408 141 141 ALA CB C 18.38 0.20 1 1409 141 141 ALA N N 121.91 0.20 1 1410 142 142 ALA H H 8.28 0.03 1 1411 142 142 ALA HA H 3.88 0.03 1 1412 142 142 ALA HB H 1.53 0.03 1 1413 142 142 ALA C C 180.08 0.20 1 1414 142 142 ALA CA C 54.90 0.20 1 1415 142 142 ALA CB C 18.23 0.20 1 1416 142 142 ALA N N 120.44 0.20 1 1417 143 143 HIS H H 8.03 0.03 1 1418 143 143 HIS HA H 4.35 0.03 1 1419 143 143 HIS HB2 H 3.24 0.03 2 1420 143 143 HIS HB3 H 3.24 0.03 2 1421 143 143 HIS C C 177.35 0.20 1 1422 143 143 HIS CA C 59.43 0.20 1 1423 143 143 HIS CB C 30.75 0.20 1 1424 143 143 HIS N N 118.28 0.20 1 1425 144 144 LEU H H 7.70 0.03 1 1426 144 144 LEU HA H 3.91 0.03 1 1427 144 144 LEU HB2 H 1.60 0.03 2 1428 144 144 LEU HB3 H 1.60 0.03 2 1429 144 144 LEU HG H 1.54 0.03 1 1430 144 144 LEU HD1 H 0.81 0.03 2 1431 144 144 LEU HD2 H 0.86 0.03 2 1432 144 144 LEU C C 179.04 0.20 1 1433 144 144 LEU CA C 58.08 0.20 1 1434 144 144 LEU CB C 40.96 0.20 1 1435 144 144 LEU CG C 26.31 0.20 1 1436 144 144 LEU CD1 C 24.28 0.20 2 1437 144 144 LEU CD2 C 24.28 0.20 2 1438 144 144 LEU N N 118.82 0.20 1 1439 145 145 PHE H H 8.10 0.03 1 1440 145 145 PHE HA H 4.00 0.03 1 1441 145 145 PHE HB2 H 2.85 0.03 2 1442 145 145 PHE HB3 H 2.81 0.03 2 1443 145 145 PHE HD1 H 6.60 0.03 1 1444 145 145 PHE HD2 H 6.60 0.03 1 1445 145 145 PHE HE1 H 6.21 0.03 1 1446 145 145 PHE HE2 H 6.21 0.03 1 1447 145 145 PHE HZ H 6.47 0.03 1 1448 145 145 PHE C C 177.90 0.20 1 1449 145 145 PHE CA C 62.15 0.20 1 1450 145 145 PHE CB C 37.75 0.20 1 1451 145 145 PHE N N 116.92 0.20 1 1452 146 146 LYS H H 8.04 0.03 1 1453 146 146 LYS HA H 4.13 0.03 1 1454 146 146 LYS HB2 H 1.87 0.03 2 1455 146 146 LYS HB3 H 2.06 0.03 2 1456 146 146 LYS HG2 H 1.56 0.03 2 1457 146 146 LYS HG3 H 1.56 0.03 2 1458 146 146 LYS HD2 H 1.73 0.03 2 1459 146 146 LYS HD3 H 1.73 0.03 2 1460 146 146 LYS HE2 H 3.03 0.03 2 1461 146 146 LYS HE3 H 3.03 0.03 2 1462 146 146 LYS C C 177.75 0.20 1 1463 146 146 LYS CA C 58.90 0.20 1 1464 146 146 LYS CB C 32.28 0.20 1 1465 146 146 LYS CG C 25.10 0.20 1 1466 146 146 LYS CD C 29.38 0.20 1 1467 146 146 LYS CE C 42.20 0.20 1 1468 146 146 LYS N N 119.71 0.20 1 1469 147 147 LEU H H 7.96 0.03 1 1470 147 147 LEU HA H 4.00 0.03 1 1471 147 147 LEU HB2 H 1.30 0.03 2 1472 147 147 LEU HB3 H 1.30 0.03 2 1473 147 147 LEU HD1 H 0.81 0.03 2 1474 147 147 LEU HD2 H 0.81 0.03 2 1475 147 147 LEU C C 180.46 0.20 1 1476 147 147 LEU CA C 57.47 0.20 1 1477 147 147 LEU CB C 42.40 0.20 1 1478 147 147 LEU CG C 26.85 0.20 1 1479 147 147 LEU CD1 C 22.47 0.20 2 1480 147 147 LEU CD2 C 22.47 0.20 2 1481 147 147 LEU N N 118.97 0.20 1 1482 148 148 ILE H H 8.20 0.03 1 1483 148 148 ILE HA H 3.54 0.03 1 1484 148 148 ILE HB H 1.89 0.03 1 1485 148 148 ILE HG2 H 0.76 0.03 1 1486 148 148 ILE HD1 H 0.76 0.03 1 1487 148 148 ILE C C 177.03 0.20 1 1488 148 148 ILE CA C 65.40 0.20 1 1489 148 148 ILE CB C 37.69 0.20 1 1490 148 148 ILE CG1 C 29.18 0.20 1 1491 148 148 ILE CG2 C 17.08 0.20 1 1492 148 148 ILE CD1 C 13.77 0.20 1 1493 148 148 ILE N N 121.41 0.20 1 1494 149 149 GLU H H 8.68 0.03 1 1495 149 149 GLU HA H 3.68 0.03 1 1496 149 149 GLU HB2 H 2.07 0.03 2 1497 149 149 GLU HB3 H 2.07 0.03 2 1498 149 149 GLU HG2 H 2.25 0.03 2 1499 149 149 GLU HG3 H 2.16 0.03 2 1500 149 149 GLU C C 178.54 0.20 1 1501 149 149 GLU CA C 60.32 0.20 1 1502 149 149 GLU CB C 28.83 0.20 1 1503 149 149 GLU CG C 36.74 0.20 1 1504 149 149 GLU N N 120.45 0.20 1 1505 150 150 GLY H H 8.18 0.03 1 1506 150 150 GLY HA2 H 3.94 0.03 2 1507 150 150 GLY HA3 H 3.90 0.03 2 1508 150 150 GLY C C 175.67 0.20 1 1509 150 150 GLY CA C 47.25 0.20 1 1510 150 150 GLY N N 104.45 0.20 1 1511 151 151 TYR H H 7.91 0.03 1 1512 151 151 TYR HA H 4.38 0.03 1 1513 151 151 TYR HB2 H 3.05 0.03 2 1514 151 151 TYR HB3 H 3.23 0.03 2 1515 151 151 TYR HD1 H 6.98 0.03 1 1516 151 151 TYR HD2 H 6.98 0.03 1 1517 151 151 TYR C C 179.36 0.20 1 1518 151 151 TYR CA C 62.32 0.20 1 1519 151 151 TYR CB C 36.39 0.20 1 1520 151 151 TYR N N 122.12 0.20 1 1521 152 152 LEU H H 8.63 0.03 1 1522 152 152 LEU HA H 4.03 0.03 1 1523 152 152 LEU HB2 H 1.52 0.03 2 1524 152 152 LEU HB3 H 1.52 0.03 2 1525 152 152 LEU HG H 0.76 0.03 1 1526 152 152 LEU HD1 H 0.98 0.03 2 1527 152 152 LEU HD2 H 0.98 0.03 2 1528 152 152 LEU C C 180.32 0.20 1 1529 152 152 LEU CA C 57.76 0.20 1 1530 152 152 LEU CB C 41.00 0.20 1 1531 152 152 LEU CG C 26.86 0.20 1 1532 152 152 LEU CD1 C 23.00 0.20 2 1533 152 152 LEU CD2 C 23.00 0.20 2 1534 152 152 LEU N N 120.02 0.20 1 1535 153 153 LYS H H 8.26 0.03 1 1536 153 153 LYS HA H 3.97 0.03 1 1537 153 153 LYS HB2 H 1.92 0.03 2 1538 153 153 LYS HB3 H 1.92 0.03 2 1539 153 153 LYS HE2 H 2.97 0.03 2 1540 153 153 LYS HE3 H 2.97 0.03 2 1541 153 153 LYS C C 178.15 0.20 1 1542 153 153 LYS CA C 59.40 0.20 1 1543 153 153 LYS CB C 32.35 0.20 1 1544 153 153 LYS CG C 25.40 0.20 1 1545 153 153 LYS CD C 29.65 0.20 1 1546 153 153 LYS CE C 41.01 0.20 1 1547 153 153 LYS N N 119.73 0.20 1 1548 154 154 ASP H H 7.56 0.03 1 1549 154 154 ASP HA H 4.00 0.03 1 1550 154 154 ASP C C 175.66 0.20 1 1551 154 154 ASP CA C 55.03 0.20 1 1552 154 154 ASP N N 117.02 0.20 1 1553 155 155 HIS H H 7.43 0.03 1 1554 155 155 HIS HA H 4.90 0.03 1 1555 155 155 HIS HB2 H 2.60 0.03 2 1556 155 155 HIS HB3 H 2.98 0.03 2 1557 155 155 HIS HD2 H 6.80 0.03 1 1558 155 155 HIS CA C 54.15 0.20 1 1559 155 155 HIS CB C 27.99 0.20 1 1560 155 155 HIS CD2 C 121.12 0.20 1 1561 155 155 HIS N N 117.16 0.20 1 stop_ save_