data_25590 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C and 15N resonance assignments and second structure information of Fag s 1: Fagales allergen from Fagus sylvatica ; _BMRB_accession_number 25590 _BMRB_flat_file_name bmr25590.str _Entry_type original _Submission_date 2015-04-30 _Accession_date 2015-04-30 _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 Moraes Adolfo H. . 2 Asam Claudia . . 3 Batista Aline . . 4 Almeida Fabio C.L. . 5 Wallner Michael . . 6 Ferreira Fatima . . 7 Valente 'Ana Paula' . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 886 "13C chemical shifts" 652 "15N chemical shifts" 150 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2017-08-07 original BMRB . stop_ _Original_release_date 2015-05-01 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; 1H, 13C and 15N resonance assignments and second structure information of Fag s 1: Fagales allergen from Fagus sylvatica ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 26289775 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Moraes A H. . 2 Asam C . . 3 Batista A . . 4 Almeida F C. . 5 Wallner M . . 6 Ferreira F . . 7 Valente A P. . stop_ _Journal_abbreviation 'Biomol. NMR Assign.' _Journal_name_full 'Biomolecular NMR assignments' _Journal_volume 10 _Journal_issue 1 _Journal_ISSN 1874-270X _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 45 _Page_last 48 _Year 2016 _Details . loop_ _Keyword 'Fag s 1' Fagales 'NMR assignments' 'beech pollen allergen' 'secondary srtucture' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Fag s 1' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Fag s 1' $Fag_s_1 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_Fag_s_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Fag_s_1 _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 159 _Mol_residue_sequence ; GVFTYESETTTVITPARLFK AFVLDADNLIPKVAPQAIKS SEIIEGSGGPGTIKKITFGE GSQFNYVKHRIDEIDNANFT YACTLIEGDAISETLEKIAY EIKLVASPDGGSILKSTSKY HTKGDHEIKEDQIKAGKEEA SGIFKAVEAYLLANPAAYH ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 VAL 3 PHE 4 THR 5 TYR 6 GLU 7 SER 8 GLU 9 THR 10 THR 11 THR 12 VAL 13 ILE 14 THR 15 PRO 16 ALA 17 ARG 18 LEU 19 PHE 20 LYS 21 ALA 22 PHE 23 VAL 24 LEU 25 ASP 26 ALA 27 ASP 28 ASN 29 LEU 30 ILE 31 PRO 32 LYS 33 VAL 34 ALA 35 PRO 36 GLN 37 ALA 38 ILE 39 LYS 40 SER 41 SER 42 GLU 43 ILE 44 ILE 45 GLU 46 GLY 47 SER 48 GLY 49 GLY 50 PRO 51 GLY 52 THR 53 ILE 54 LYS 55 LYS 56 ILE 57 THR 58 PHE 59 GLY 60 GLU 61 GLY 62 SER 63 GLN 64 PHE 65 ASN 66 TYR 67 VAL 68 LYS 69 HIS 70 ARG 71 ILE 72 ASP 73 GLU 74 ILE 75 ASP 76 ASN 77 ALA 78 ASN 79 PHE 80 THR 81 TYR 82 ALA 83 CYS 84 THR 85 LEU 86 ILE 87 GLU 88 GLY 89 ASP 90 ALA 91 ILE 92 SER 93 GLU 94 THR 95 LEU 96 GLU 97 LYS 98 ILE 99 ALA 100 TYR 101 GLU 102 ILE 103 LYS 104 LEU 105 VAL 106 ALA 107 SER 108 PRO 109 ASP 110 GLY 111 GLY 112 SER 113 ILE 114 LEU 115 LYS 116 SER 117 THR 118 SER 119 LYS 120 TYR 121 HIS 122 THR 123 LYS 124 GLY 125 ASP 126 HIS 127 GLU 128 ILE 129 LYS 130 GLU 131 ASP 132 GLN 133 ILE 134 LYS 135 ALA 136 GLY 137 LYS 138 GLU 139 GLU 140 ALA 141 SER 142 GLY 143 ILE 144 PHE 145 LYS 146 ALA 147 VAL 148 GLU 149 ALA 150 TYR 151 LEU 152 LEU 153 ALA 154 ASN 155 PRO 156 ALA 157 ALA 158 TYR 159 HIS 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 $Fag_s_1 'European beech' 28930 Eukaryota Viridiplantae Fagus sylvatica 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 $Fag_s_1 'recombinant technology' . Escherichia coli . pET28b stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Fag_s_1 600 uM 'natural abundance' 'sodium phosphate' 10 mM 'natural abundance' 'sodium chloride' 150 mM 'natural abundance' TFE 5 % '[U-100% 2H]' D2O 10 % '[U-100% 2H]' stop_ save_ ############################ # Computer software used # ############################ save_CCPN _Saveframe_category software _Name CCPN _Version v2.4.1 loop_ _Vendor _Address _Electronic_address CCPN . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' 'peak picking' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ save_spectrometer_3 _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_CBCA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HNCA_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCO_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _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_HN(CO)CA_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _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_1H-15N_NOESY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_HCCH-COSY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-COSY' _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 'ionic strength' 0.187 . M pH 7.8 . pH pressure 1 . atm temperature 308 . 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_ _Software_label $CCPN stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC aliphatic' '2D 1H-13C HSQC aromatic' '3D CBCA(CO)NH' '3D HNCACB' '3D HNCA' '3D HNCO' '3D HBHA(CO)NH' '3D HN(CO)CA' '3D HCCH-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 'Fag s 1' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 2 2 VAL HA H 4.857 0.020 1 2 2 2 VAL HB H 1.662 0.020 1 3 2 2 VAL HG1 H 0.520 0.020 2 4 2 2 VAL HG2 H 0.409 0.020 2 5 2 2 VAL CA C 61.405 0.3 1 6 2 2 VAL CB C 33.708 0.3 1 7 2 2 VAL CG1 C 20.795 0.3 1 8 2 2 VAL CG2 C 20.211 0.3 1 9 3 3 PHE H H 8.857 0.020 1 10 3 3 PHE HA H 4.667 0.020 1 11 3 3 PHE HB2 H 3.178 0.020 2 12 3 3 PHE HB3 H 3.044 0.020 2 13 3 3 PHE HD1 H 7.046 0.020 1 14 3 3 PHE HD2 H 7.046 0.020 1 15 3 3 PHE HE1 H 7.041 0.020 1 16 3 3 PHE HE2 H 7.041 0.020 1 17 3 3 PHE C C 174.496 0.3 1 18 3 3 PHE CA C 56.928 0.3 1 19 3 3 PHE CB C 41.519 0.3 1 20 3 3 PHE CD1 C 133.193 0.3 1 21 3 3 PHE CE1 C 130.787 0.3 1 22 3 3 PHE N N 128.614 0.3 1 23 4 4 THR H H 8.348 0.020 1 24 4 4 THR HA H 5.378 0.020 1 25 4 4 THR HB H 3.856 0.020 1 26 4 4 THR HG2 H 1.097 0.020 1 27 4 4 THR C C 173.123 0.3 1 28 4 4 THR CA C 61.822 0.3 1 29 4 4 THR CB C 70.216 0.3 1 30 4 4 THR CG2 C 21.624 0.3 1 31 4 4 THR N N 120.581 0.3 1 32 5 5 TYR H H 9.360 0.020 1 33 5 5 TYR HA H 4.847 0.020 1 34 5 5 TYR HB2 H 3.158 0.020 2 35 5 5 TYR HB3 H 2.990 0.020 2 36 5 5 TYR HD1 H 7.264 0.020 1 37 5 5 TYR HD2 H 7.264 0.020 1 38 5 5 TYR HE1 H 6.906 0.020 1 39 5 5 TYR HE2 H 6.906 0.020 1 40 5 5 TYR C C 174.455 0.3 1 41 5 5 TYR CA C 57.494 0.3 1 42 5 5 TYR CB C 41.526 0.3 1 43 5 5 TYR CD1 C 135.783 0.3 1 44 5 5 TYR CE1 C 120.908 0.3 1 45 5 5 TYR N N 125.887 0.3 1 46 6 6 GLU H H 8.608 0.020 1 47 6 6 GLU HA H 5.464 0.020 1 48 6 6 GLU HB2 H 2.081 0.020 2 49 6 6 GLU HB3 H 1.937 0.020 2 50 6 6 GLU HG2 H 2.219 0.020 2 51 6 6 GLU HG3 H 2.132 0.020 2 52 6 6 GLU C C 175.542 0.3 1 53 6 6 GLU CA C 54.962 0.3 1 54 6 6 GLU CB C 33.262 0.3 1 55 6 6 GLU CG C 36.435 0.3 1 56 6 6 GLU N N 124.932 0.3 1 57 7 7 SER H H 8.887 0.020 1 58 7 7 SER HA H 4.810 0.020 1 59 7 7 SER HB2 H 3.799 0.020 2 60 7 7 SER HB3 H 3.768 0.020 2 61 7 7 SER C C 172.548 0.3 1 62 7 7 SER CA C 57.507 0.3 1 63 7 7 SER CB C 65.987 0.3 1 64 7 7 SER N N 116.324 0.3 1 65 8 8 GLU H H 8.387 0.020 1 66 8 8 GLU HA H 5.455 0.020 1 67 8 8 GLU HB2 H 1.903 0.020 2 68 8 8 GLU HB3 H 1.844 0.020 2 69 8 8 GLU HG2 H 2.220 0.020 2 70 8 8 GLU HG3 H 2.097 0.020 2 71 8 8 GLU C C 175.410 0.3 1 72 8 8 GLU CA C 55.216 0.3 1 73 8 8 GLU CB C 33.172 0.3 1 74 8 8 GLU CG C 36.198 0.3 1 75 8 8 GLU N N 121.566 0.3 1 76 9 9 THR H H 8.566 0.020 1 77 9 9 THR HA H 4.631 0.020 1 78 9 9 THR HB H 3.795 0.020 1 79 9 9 THR HG2 H 0.860 0.020 1 80 9 9 THR C C 172.316 0.3 1 81 9 9 THR CA C 61.344 0.3 1 82 9 9 THR CB C 71.245 0.3 1 83 9 9 THR CG2 C 20.182 0.3 1 84 9 9 THR N N 119.200 0.3 1 85 10 10 THR H H 8.379 0.020 1 86 10 10 THR HA H 5.248 0.020 1 87 10 10 THR HB H 4.219 0.020 1 88 10 10 THR HG2 H 1.212 0.020 1 89 10 10 THR C C 173.145 0.3 1 90 10 10 THR CA C 60.662 0.3 1 91 10 10 THR CB C 70.936 0.3 1 92 10 10 THR CG2 C 21.608 0.3 1 93 10 10 THR N N 117.066 0.3 1 94 11 11 THR H H 8.713 0.020 1 95 11 11 THR HA H 4.992 0.020 1 96 11 11 THR HB H 4.318 0.020 1 97 11 11 THR HG2 H 1.265 0.020 1 98 11 11 THR C C 172.874 0.3 1 99 11 11 THR CA C 59.639 0.3 1 100 11 11 THR CB C 68.605 0.3 1 101 11 11 THR CG2 C 20.957 0.3 1 102 11 11 THR N N 117.061 0.3 1 103 12 12 VAL H H 8.198 0.020 1 104 12 12 VAL HA H 4.296 0.020 1 105 12 12 VAL HB H 2.366 0.020 1 106 12 12 VAL HG1 H 1.012 0.020 2 107 12 12 VAL HG2 H 0.984 0.020 2 108 12 12 VAL C C 176.436 0.3 1 109 12 12 VAL CA C 62.824 0.3 1 110 12 12 VAL CB C 31.625 0.3 1 111 12 12 VAL CG1 C 20.985 0.3 1 112 12 12 VAL CG2 C 19.029 0.3 1 113 12 12 VAL N N 121.724 0.3 1 114 13 13 ILE H H 7.803 0.020 1 115 13 13 ILE HA H 3.958 0.020 1 116 13 13 ILE HB H 1.828 0.020 1 117 13 13 ILE HG12 H 1.599 0.020 2 118 13 13 ILE HG13 H 1.484 0.020 2 119 13 13 ILE HG2 H 1.185 0.020 1 120 13 13 ILE HD1 H 0.816 0.020 1 121 13 13 ILE C C 175.578 0.3 1 122 13 13 ILE CA C 59.903 0.3 1 123 13 13 ILE CB C 35.834 0.3 1 124 13 13 ILE CG1 C 29.414 0.3 1 125 13 13 ILE CG2 C 18.667 0.3 1 126 13 13 ILE CD1 C 12.622 0.3 1 127 13 13 ILE N N 122.691 0.3 1 128 14 14 THR H H 7.822 0.020 1 129 14 14 THR HA H 4.340 0.020 1 130 14 14 THR HB H 4.548 0.020 1 131 14 14 THR HG2 H 1.524 0.020 1 132 14 14 THR C C 173.267 0.3 1 133 14 14 THR CA C 60.959 0.3 1 134 14 14 THR CB C 68.294 0.3 1 135 14 14 THR CG2 C 22.721 0.3 1 136 14 14 THR N N 118.673 0.3 1 137 15 15 PRO HA H 3.982 0.020 1 138 15 15 PRO HB2 H 1.571 0.020 2 139 15 15 PRO HB3 H 1.282 0.020 2 140 15 15 PRO HG2 H 2.029 0.020 2 141 15 15 PRO HG3 H 1.863 0.020 2 142 15 15 PRO HD2 H 3.710 0.020 2 143 15 15 PRO HD3 H 3.657 0.020 2 144 15 15 PRO C C 177.752 0.3 1 145 15 15 PRO CA C 66.340 0.3 1 146 15 15 PRO CB C 31.493 0.3 1 147 15 15 PRO CG C 26.80 0.3 1 148 15 15 PRO CD C 50.637 0.3 1 149 16 16 ALA H H 7.998 0.020 1 150 16 16 ALA HA H 3.828 0.020 1 151 16 16 ALA HB H 1.519 0.020 1 152 16 16 ALA C C 180.059 0.3 1 153 16 16 ALA CA C 55.344 0.3 1 154 16 16 ALA CB C 18.044 0.3 1 155 16 16 ALA N N 116.659 0.3 1 156 17 17 ARG H H 7.053 0.020 1 157 17 17 ARG HA H 4.112 0.020 1 158 17 17 ARG HB2 H 1.798 0.020 2 159 17 17 ARG HB3 H 1.629 0.020 2 160 17 17 ARG HG2 H 1.681 0.020 2 161 17 17 ARG HG3 H 1.594 0.020 2 162 17 17 ARG HD2 H 2.972 0.020 2 163 17 17 ARG HD3 H 2.863 0.020 2 164 17 17 ARG HH11 H 6.787 0.020 1 165 17 17 ARG HH12 H 7.058 0.020 1 166 17 17 ARG C C 177.377 0.3 1 167 17 17 ARG CA C 59.200 0.3 1 168 17 17 ARG CB C 30.667 0.3 1 169 17 17 ARG CG C 29.199 0.3 1 170 17 17 ARG CD C 42.061 0.3 1 171 17 17 ARG N N 116.943 0.3 1 172 17 17 ARG NH1 N 86.738 0.3 1 173 18 18 LEU H H 7.973 0.020 1 174 18 18 LEU HA H 3.823 0.020 1 175 18 18 LEU HB2 H 1.728 0.020 2 176 18 18 LEU HB3 H 1.420 0.020 2 177 18 18 LEU HG H 1.560 0.020 1 178 18 18 LEU HD1 H 0.890 0.020 2 179 18 18 LEU HD2 H 0.793 0.020 2 180 18 18 LEU C C 178.324 0.3 1 181 18 18 LEU CA C 57.402 0.3 1 182 18 18 LEU CB C 41.707 0.3 1 183 18 18 LEU CG C 29.118 0.3 1 184 18 18 LEU CD1 C 25.967 0.3 1 185 18 18 LEU CD2 C 23.480 0.3 1 186 18 18 LEU N N 117.473 0.3 1 187 19 19 PHE H H 8.941 0.020 1 188 19 19 PHE HA H 4.952 0.020 1 189 19 19 PHE HB2 H 2.647 0.020 2 190 19 19 PHE HB3 H 2.118 0.020 2 191 19 19 PHE HD1 H 7.166 0.020 1 192 19 19 PHE HD2 H 7.166 0.020 1 193 19 19 PHE C C 178.052 0.3 1 194 19 19 PHE CA C 62.707 0.3 1 195 19 19 PHE CB C 42.941 0.3 1 196 19 19 PHE CD1 C 131.567 0.3 1 197 19 19 PHE N N 118.939 0.3 1 198 20 20 LYS H H 7.885 0.020 1 199 20 20 LYS HA H 3.833 0.020 1 200 20 20 LYS HB2 H 2.120 0.020 2 201 20 20 LYS HB3 H 1.997 0.020 2 202 20 20 LYS HG2 H 1.429 0.020 2 203 20 20 LYS HG3 H 1.333 0.020 2 204 20 20 LYS HD2 H 1.818 0.020 2 205 20 20 LYS HD3 H 1.675 0.020 2 206 20 20 LYS HE2 H 3.027 0.020 2 207 20 20 LYS HE3 H 2.931 0.020 2 208 20 20 LYS C C 176.356 0.3 1 209 20 20 LYS CA C 60.419 0.3 1 210 20 20 LYS CB C 33.158 0.3 1 211 20 20 LYS CG C 24.771 0.3 1 212 20 20 LYS CD C 29.294 0.3 1 213 20 20 LYS CE C 42.043 0.3 1 214 20 20 LYS N N 117.787 0.3 1 215 21 21 ALA H H 7.382 0.020 1 216 21 21 ALA HA H 4.145 0.020 1 217 21 21 ALA HB H 1.343 0.020 1 218 21 21 ALA C C 175.393 0.3 1 219 21 21 ALA CA C 54.625 0.3 1 220 21 21 ALA CB C 20.253 0.3 1 221 21 21 ALA N N 118.404 0.3 1 222 22 22 PHE H H 8.250 0.020 1 223 22 22 PHE HA H 3.133 0.020 1 224 22 22 PHE HB2 H 2.914 0.020 1 225 22 22 PHE HB3 H 2.914 0.020 1 226 22 22 PHE HD1 H 6.978 0.020 1 227 22 22 PHE HD2 H 6.978 0.020 1 228 22 22 PHE HE1 H 7.089 0.020 1 229 22 22 PHE HE2 H 7.089 0.020 1 230 22 22 PHE CA C 54.594 0.3 1 231 22 22 PHE CB C 41.058 0.3 1 232 22 22 PHE CD1 C 134.841 0.3 1 233 22 22 PHE CE1 C 131.04 0.3 1 234 22 22 PHE N N 109.656 0.3 1 235 23 23 VAL H H 7.072 0.020 1 236 23 23 VAL HA H 3.427 0.020 1 237 23 23 VAL HB H 1.183 0.020 1 238 23 23 VAL HG1 H 0.232 0.020 2 239 23 23 VAL HG2 H 0.035 0.020 2 240 23 23 VAL C C 177.690 0.3 1 241 23 23 VAL CA C 63.784 0.3 1 242 23 23 VAL CB C 30.957 0.3 1 243 23 23 VAL CG1 C 20.189 0.3 1 244 23 23 VAL CG2 C 20.978 0.3 1 245 23 23 VAL N N 112.282 0.3 1 246 24 24 LEU H H 7.685 0.020 1 247 24 24 LEU HA H 4.059 0.020 1 248 24 24 LEU HB2 H 1.653 0.020 2 249 24 24 LEU HB3 H 1.606 0.020 2 250 24 24 LEU HG H 1.194 0.020 1 251 24 24 LEU HD1 H 0.675 0.020 2 252 24 24 LEU HD2 H 0.674 0.020 2 253 24 24 LEU C C 178.685 0.3 1 254 24 24 LEU CA C 57.816 0.3 1 255 24 24 LEU CB C 42.551 0.3 1 256 24 24 LEU CG C 27.014 0.3 1 257 24 24 LEU CD1 C 26.592 0.3 1 258 24 24 LEU CD2 C 22.037 0.3 1 259 24 24 LEU N N 116.411 0.3 1 260 25 25 ASP H H 7.678 0.020 1 261 25 25 ASP HA H 5.494 0.020 1 262 25 25 ASP HB2 H 2.947 0.020 1 263 25 25 ASP HB3 H 2.947 0.020 1 264 25 25 ASP C C 177.306 0.3 1 265 25 25 ASP CA C 52.819 0.3 1 266 25 25 ASP CB C 42.224 0.3 1 267 25 25 ASP N N 117.783 0.3 1 268 26 26 ALA H H 6.513 0.020 1 269 26 26 ALA HA H 3.683 0.020 1 270 26 26 ALA HB H 1.183 0.020 1 271 26 26 ALA C C 178.391 0.3 1 272 26 26 ALA CA C 56.264 0.3 1 273 26 26 ALA CB C 19.372 0.3 1 274 26 26 ALA N N 122.126 0.3 1 275 27 27 ASP H H 8.152 0.020 1 276 27 27 ASP HA H 4.027 0.020 1 277 27 27 ASP HB2 H 2.679 0.020 2 278 27 27 ASP HB3 H 2.392 0.020 2 279 27 27 ASP C C 176.098 0.3 1 280 27 27 ASP CA C 56.950 0.3 1 281 27 27 ASP CB C 40.136 0.3 1 282 27 27 ASP N N 112.434 0.3 1 283 28 28 ASN H H 7.305 0.020 1 284 28 28 ASN HA H 4.698 0.020 1 285 28 28 ASN HB2 H 2.709 0.020 1 286 28 28 ASN HB3 H 2.709 0.020 1 287 28 28 ASN HD21 H 7.387 0.020 1 288 28 28 ASN HD22 H 6.586 0.020 1 289 28 28 ASN C C 176.191 0.3 1 290 28 28 ASN CA C 53.822 0.3 1 291 28 28 ASN CB C 40.146 0.3 1 292 28 28 ASN N N 112.690 0.3 1 293 28 28 ASN ND2 N 111.734 0.3 1 294 29 29 LEU H H 8.254 0.020 1 295 29 29 LEU HA H 4.060 0.020 1 296 29 29 LEU HB2 H 1.671 0.020 2 297 29 29 LEU HB3 H 1.486 0.020 2 298 29 29 LEU HG H 1.187 0.020 1 299 29 29 LEU HD1 H 0.666 0.020 2 300 29 29 LEU HD2 H 0.518 0.020 2 301 29 29 LEU C C 178.233 0.3 1 302 29 29 LEU CA C 57.520 0.3 1 303 29 29 LEU CB C 42.654 0.3 1 304 29 29 LEU CG C 27.022 0.3 1 305 29 29 LEU CD1 C 26.594 0.3 1 306 29 29 LEU CD2 C 22.359 0.3 1 307 29 29 LEU N N 119.616 0.3 1 308 30 30 ILE H H 8.373 0.020 1 309 30 30 ILE HA H 3.631 0.020 1 310 30 30 ILE HB H 2.049 0.020 1 311 30 30 ILE HG12 H 1.658 0.020 2 312 30 30 ILE HG13 H 1.311 0.020 2 313 30 30 ILE HG2 H 0.786 0.020 1 314 30 30 ILE HD1 H 1.096 0.020 1 315 30 30 ILE C C 174.519 0.3 1 316 30 30 ILE CA C 67.529 0.3 1 317 30 30 ILE CB C 34.008 0.3 1 318 30 30 ILE CG1 C 29.260 0.3 1 319 30 30 ILE CG2 C 18.184 0.3 1 320 30 30 ILE CD1 C 14.588 0.3 1 321 30 30 ILE N N 116.946 0.3 1 322 31 31 PRO HA H 4.386 0.020 1 323 31 31 PRO HB2 H 2.174 0.020 2 324 31 31 PRO HB3 H 1.618 0.020 2 325 31 31 PRO HG2 H 2.055 0.020 2 326 31 31 PRO HG3 H 1.951 0.020 2 327 31 31 PRO HD2 H 3.375 0.020 2 328 31 31 PRO HD3 H 3.676 0.020 2 329 31 31 PRO C C 177.318 0.3 1 330 31 31 PRO CA C 64.731 0.3 1 331 31 31 PRO CB C 31.110 0.3 1 332 31 31 PRO CG C 27.037 0.3 1 333 31 31 PRO CD C 50.616 0.3 1 334 32 32 LYS H H 6.699 0.020 1 335 32 32 LYS HA H 4.168 0.020 1 336 32 32 LYS HB2 H 1.887 0.020 2 337 32 32 LYS HB3 H 1.855 0.020 2 338 32 32 LYS HG2 H 1.427 0.020 2 339 32 32 LYS HG3 H 1.292 0.020 2 340 32 32 LYS HD2 H 1.606 0.020 2 341 32 32 LYS HD3 H 1.481 0.020 2 342 32 32 LYS HE2 H 2.923 0.020 2 343 32 32 LYS HE3 H 2.799 0.020 2 344 32 32 LYS C C 178.504 0.3 1 345 32 32 LYS CA C 58.104 0.3 1 346 32 32 LYS CB C 32.771 0.3 1 347 32 32 LYS CG C 24.998 0.3 1 348 32 32 LYS CD C 29.167 0.3 1 349 32 32 LYS CE C 42.043 0.3 1 350 32 32 LYS N N 112.105 0.3 1 351 33 33 VAL H H 7.691 0.020 1 352 33 33 VAL HA H 4.271 0.020 1 353 33 33 VAL HB H 2.162 0.020 1 354 33 33 VAL HG1 H 0.702 0.020 2 355 33 33 VAL HG2 H 0.747 0.020 2 356 33 33 VAL C C 175.672 0.3 1 357 33 33 VAL CA C 61.779 0.3 1 358 33 33 VAL CB C 32.309 0.3 1 359 33 33 VAL CG1 C 19.872 0.3 1 360 33 33 VAL CG2 C 19.863 0.3 1 361 33 33 VAL N N 111.377 0.3 1 362 34 34 ALA H H 8.488 0.020 1 363 34 34 ALA HA H 5.009 0.020 1 364 34 34 ALA HB H 1.235 0.020 1 365 34 34 ALA C C 173.844 0.3 1 366 34 34 ALA CA C 50.228 0.3 1 367 34 34 ALA CB C 18.683 0.3 1 368 34 34 ALA N N 124.392 0.3 1 369 35 35 PRO HA H 4.743 0.020 1 370 35 35 PRO HB2 H 2.493 0.020 2 371 35 35 PRO HB3 H 1.956 0.020 2 372 35 35 PRO HG2 H 1.820 0.020 2 373 35 35 PRO HG3 H 1.672 0.020 2 374 35 35 PRO HD2 H 3.680 0.020 1 375 35 35 PRO HD3 H 3.680 0.020 1 376 35 35 PRO C C 178.329 0.3 1 377 35 35 PRO CA C 64.702 0.3 1 378 35 35 PRO CB C 31.523 0.3 1 379 35 35 PRO CG C 28.961 0.3 1 380 35 35 PRO CD C 49.916 0.3 1 381 36 36 GLN H H 8.594 0.020 1 382 36 36 GLN HA H 4.261 0.020 1 383 36 36 GLN HB2 H 2.044 0.020 2 384 36 36 GLN HB3 H 1.922 0.020 2 385 36 36 GLN HG2 H 2.353 0.020 2 386 36 36 GLN HG3 H 2.278 0.020 2 387 36 36 GLN C C 175.829 0.3 1 388 36 36 GLN CA C 57.109 0.3 1 389 36 36 GLN CB C 27.311 0.3 1 390 36 36 GLN CG C 36.382 0.3 1 391 36 36 GLN N N 116.317 0.3 1 392 37 37 ALA H H 7.729 0.020 1 393 37 37 ALA HA H 4.506 0.020 1 394 37 37 ALA HB H 1.486 0.020 1 395 37 37 ALA C C 177.766 0.3 1 396 37 37 ALA CA C 53.731 0.3 1 397 37 37 ALA CB C 20.354 0.3 1 398 37 37 ALA N N 121.844 0.3 1 399 38 38 ILE H H 8.032 0.020 1 400 38 38 ILE HA H 4.169 0.020 1 401 38 38 ILE HB H 1.613 0.020 1 402 38 38 ILE HG12 H 1.094 0.020 2 403 38 38 ILE HG13 H 1.269 0.020 2 404 38 38 ILE HG2 H 0.561 0.020 1 405 38 38 ILE HD1 H 0.658 0.020 1 406 38 38 ILE C C 172.951 0.3 1 407 38 38 ILE CA C 59.870 0.3 1 408 38 38 ILE CB C 39.501 0.3 1 409 38 38 ILE CG1 C 26.626 0.3 1 410 38 38 ILE CG2 C 17.103 0.3 1 411 38 38 ILE CD1 C 11.540 0.3 1 412 38 38 ILE N N 118.402 0.3 1 413 39 39 LYS H H 8.425 0.020 1 414 39 39 LYS HA H 4.393 0.020 1 415 39 39 LYS HB2 H 1.558 0.020 2 416 39 39 LYS HB3 H 1.527 0.020 2 417 39 39 LYS HG2 H 1.452 0.020 2 418 39 39 LYS HG3 H 1.338 0.020 2 419 39 39 LYS HD2 H 1.934 0.020 2 420 39 39 LYS HD3 H 1.816 0.020 2 421 39 39 LYS HE2 H 2.977 0.020 2 422 39 39 LYS HE3 H 2.877 0.020 2 423 39 39 LYS C C 177.379 0.3 1 424 39 39 LYS CA C 57.337 0.3 1 425 39 39 LYS CB C 34.059 0.3 1 426 39 39 LYS CG C 24.939 0.3 1 427 39 39 LYS CD C 29.17 0.3 1 428 39 39 LYS CE C 41.873 0.3 1 429 39 39 LYS N N 124.902 0.3 1 430 40 40 SER H H 7.759 0.020 1 431 40 40 SER HA H 4.506 0.020 1 432 40 40 SER HB2 H 3.811 0.020 2 433 40 40 SER HB3 H 3.699 0.020 2 434 40 40 SER C C 171.630 0.3 1 435 40 40 SER CA C 57.565 0.3 1 436 40 40 SER CB C 65.431 0.3 1 437 40 40 SER N N 108.743 0.3 1 438 41 41 SER H H 8.403 0.020 1 439 41 41 SER HA H 5.072 0.020 1 440 41 41 SER HB2 H 3.601 0.020 2 441 41 41 SER HB3 H 3.353 0.020 2 442 41 41 SER C C 173.157 0.3 1 443 41 41 SER CA C 56.845 0.3 1 444 41 41 SER CB C 64.105 0.3 1 445 41 41 SER N N 115.743 0.3 1 446 42 42 GLU H H 8.395 0.020 1 447 42 42 GLU HA H 4.755 0.020 1 448 42 42 GLU HB2 H 1.902 0.020 1 449 42 42 GLU HB3 H 1.902 0.020 1 450 42 42 GLU HG2 H 2.296 0.020 2 451 42 42 GLU HG3 H 2.186 0.020 2 452 42 42 GLU C C 175.119 0.3 1 453 42 42 GLU CA C 54.176 0.3 1 454 42 42 GLU CB C 33.768 0.3 1 455 42 42 GLU CG C 36.113 0.3 1 456 42 42 GLU N N 124.119 0.3 1 457 43 43 ILE H H 9.259 0.020 1 458 43 43 ILE HA H 4.000 0.020 1 459 43 43 ILE HB H 1.726 0.020 1 460 43 43 ILE HG12 H 0.948 0.020 2 461 43 43 ILE HG13 H 0.662 0.020 2 462 43 43 ILE HG2 H 0.316 0.020 1 463 43 43 ILE HD1 H 0.082 0.020 1 464 43 43 ILE C C 176.290 0.3 1 465 43 43 ILE CA C 62.821 0.3 1 466 43 43 ILE CB C 38.045 0.3 1 467 43 43 ILE CG1 C 27.163 0.3 1 468 43 43 ILE CG2 C 16.284 0.3 1 469 43 43 ILE CD1 C 12.259 0.3 1 470 43 43 ILE N N 124.675 0.3 1 471 44 44 ILE H H 9.117 0.020 1 472 44 44 ILE HA H 4.360 0.020 1 473 44 44 ILE HB H 1.861 0.020 1 474 44 44 ILE HG12 H 1.167 0.020 2 475 44 44 ILE HG13 H 1.125 0.020 2 476 44 44 ILE HG2 H 0.921 0.020 1 477 44 44 ILE HD1 H 0.807 0.020 1 478 44 44 ILE C C 175.866 0.3 1 479 44 44 ILE CA C 61.378 0.3 1 480 44 44 ILE CB C 38.458 0.3 1 481 44 44 ILE CG1 C 27.071 0.3 1 482 44 44 ILE CG2 C 17.522 0.3 1 483 44 44 ILE CD1 C 12.504 0.3 1 484 44 44 ILE N N 126.323 0.3 1 485 45 45 GLU H H 7.728 0.020 1 486 45 45 GLU HA H 4.442 0.020 1 487 45 45 GLU HB2 H 1.892 0.020 2 488 45 45 GLU HB3 H 1.857 0.020 2 489 45 45 GLU HG2 H 2.248 0.020 2 490 45 45 GLU HG3 H 2.066 0.020 2 491 45 45 GLU C C 174.683 0.3 1 492 45 45 GLU CA C 56.191 0.3 1 493 45 45 GLU CB C 33.069 0.3 1 494 45 45 GLU CG C 36.183 0.3 1 495 45 45 GLU N N 119.346 0.3 1 496 46 46 GLY H H 8.529 0.020 1 497 46 46 GLY HA2 H 4.686 0.020 2 498 46 46 GLY HA3 H 3.852 0.020 2 499 46 46 GLY CA C 44.334 0.3 1 500 46 46 GLY N N 110.699 0.3 1 501 47 47 SER HA H 4.661 0.020 1 502 47 47 SER HB2 H 4.065 0.020 2 503 47 47 SER HB3 H 3.871 0.020 2 504 47 47 SER C C 174.882 0.3 1 505 47 47 SER CA C 57.798 0.3 1 506 47 47 SER CB C 64.561 0.3 1 507 48 48 GLY H H 8.655 0.020 1 508 48 48 GLY HA2 H 4.740 0.020 2 509 48 48 GLY HA3 H 3.485 0.020 2 510 48 48 GLY C C 174.072 0.3 1 511 48 48 GLY CA C 45.080 0.3 1 512 48 48 GLY N N 111.162 0.3 1 513 49 49 GLY H H 8.615 0.020 1 514 49 49 GLY HA2 H 4.034 0.020 2 515 49 49 GLY HA3 H 3.955 0.020 2 516 49 49 GLY C C 174.170 0.3 1 517 49 49 GLY CA C 46.994 0.3 1 518 49 49 GLY N N 110.628 0.3 1 519 50 50 PRO HA H 3.967 0.020 1 520 50 50 PRO HB2 H 2.272 0.020 2 521 50 50 PRO HB3 H 1.930 0.020 2 522 50 50 PRO HG2 H 2.067 0.020 2 523 50 50 PRO HG3 H 2.000 0.020 2 524 50 50 PRO HD2 H 3.675 0.020 1 525 50 50 PRO HD3 H 3.675 0.020 1 526 50 50 PRO CA C 64.720 0.3 1 527 50 50 PRO CB C 31.111 0.3 1 528 50 50 PRO CG C 29.082 0.3 1 529 50 50 PRO CD C 50.256 0.3 1 530 51 51 GLY H H 9.556 0.020 1 531 51 51 GLY HA2 H 4.501 0.020 2 532 51 51 GLY HA3 H 3.490 0.020 2 533 51 51 GLY C C 174.207 0.3 1 534 51 51 GLY CA C 44.590 0.3 1 535 51 51 GLY N N 114.275 0.3 1 536 52 52 THR H H 7.964 0.020 1 537 52 52 THR HA H 4.602 0.020 1 538 52 52 THR HB H 4.053 0.020 1 539 52 52 THR HG2 H 1.268 0.020 1 540 52 52 THR C C 173.241 0.3 1 541 52 52 THR CA C 64.522 0.3 1 542 52 52 THR CB C 69.588 0.3 1 543 52 52 THR CG2 C 20.792 0.3 1 544 52 52 THR N N 118.949 0.3 1 545 53 53 ILE H H 8.857 0.020 1 546 53 53 ILE HA H 5.199 0.020 1 547 53 53 ILE HB H 1.701 0.020 1 548 53 53 ILE HG12 H 1.249 0.020 2 549 53 53 ILE HG13 H 1.195 0.020 2 550 53 53 ILE HG2 H 0.842 0.020 1 551 53 53 ILE HD1 H 0.959 0.020 1 552 53 53 ILE C C 175.278 0.3 1 553 53 53 ILE CA C 59.334 0.3 1 554 53 53 ILE CB C 39.823 0.3 1 555 53 53 ILE CG1 C 26.973 0.3 1 556 53 53 ILE CG2 C 17.512 0.3 1 557 53 53 ILE CD1 C 13.458 0.3 1 558 53 53 ILE N N 126.234 0.3 1 559 54 54 LYS H H 9.398 0.020 1 560 54 54 LYS HA H 5.266 0.020 1 561 54 54 LYS HB2 H 1.504 0.020 2 562 54 54 LYS HB3 H 1.452 0.020 2 563 54 54 LYS HG2 H 1.432 0.020 2 564 54 54 LYS HG3 H 1.399 0.020 2 565 54 54 LYS HD2 H 1.666 0.020 2 566 54 54 LYS HD3 H 1.609 0.020 2 567 54 54 LYS HE2 H 3.005 0.020 2 568 54 54 LYS HE3 H 2.926 0.020 2 569 54 54 LYS C C 174.705 0.3 1 570 54 54 LYS CA C 54.002 0.3 1 571 54 54 LYS CB C 35.693 0.3 1 572 54 54 LYS CG C 24.856 0.3 1 573 54 54 LYS CD C 29.174 0.3 1 574 54 54 LYS CE C 42.093 0.3 1 575 54 54 LYS N N 126.378 0.3 1 576 55 55 LYS H H 9.274 0.020 1 577 55 55 LYS HA H 5.068 0.020 1 578 55 55 LYS HB2 H 2.001 0.020 2 579 55 55 LYS HB3 H 1.830 0.020 2 580 55 55 LYS HG2 H 1.364 0.020 2 581 55 55 LYS HG3 H 1.280 0.020 2 582 55 55 LYS HD2 H 1.629 0.020 2 583 55 55 LYS HD3 H 1.543 0.020 2 584 55 55 LYS HE2 H 2.975 0.020 2 585 55 55 LYS HE3 H 2.808 0.020 2 586 55 55 LYS C C 175.446 0.3 1 587 55 55 LYS CA C 55.190 0.3 1 588 55 55 LYS CB C 35.487 0.3 1 589 55 55 LYS CG C 25.752 0.3 1 590 55 55 LYS CD C 29.067 0.3 1 591 55 55 LYS CE C 42.119 0.3 1 592 55 55 LYS N N 121.625 0.3 1 593 56 56 ILE H H 9.462 0.020 1 594 56 56 ILE HA H 4.628 0.020 1 595 56 56 ILE HB H 1.647 0.020 1 596 56 56 ILE HG12 H 1.276 0.020 2 597 56 56 ILE HG13 H 1.016 0.020 2 598 56 56 ILE HG2 H 0.302 0.020 1 599 56 56 ILE HD1 H 0.547 0.020 1 600 56 56 ILE C C 174.909 0.3 1 601 56 56 ILE CA C 60.236 0.3 1 602 56 56 ILE CB C 39.336 0.3 1 603 56 56 ILE CG1 C 27.041 0.3 1 604 56 56 ILE CG2 C 17.802 0.3 1 605 56 56 ILE CD1 C 12.780 0.3 1 606 56 56 ILE N N 132.984 0.3 1 607 57 57 THR H H 8.580 0.020 1 608 57 57 THR HA H 4.778 0.020 1 609 57 57 THR HB H 4.116 0.020 1 610 57 57 THR HG2 H 1.395 0.020 1 611 57 57 THR C C 174.639 0.3 1 612 57 57 THR CA C 61.896 0.3 1 613 57 57 THR CB C 69.391 0.3 1 614 57 57 THR CG2 C 21.178 0.3 1 615 57 57 THR N N 122.249 0.3 1 616 58 58 PHE H H 8.427 0.020 1 617 58 58 PHE HA H 4.944 0.020 1 618 58 58 PHE HB2 H 3.513 0.020 2 619 58 58 PHE HB3 H 3.089 0.020 2 620 58 58 PHE HD1 H 7.260 0.020 1 621 58 58 PHE HD2 H 7.260 0.020 1 622 58 58 PHE HE1 H 7.312 0.020 1 623 58 58 PHE HE2 H 7.312 0.020 1 624 58 58 PHE HZ H 7.016 0.020 1 625 58 58 PHE C C 175.921 0.3 1 626 58 58 PHE CA C 58.844 0.3 1 627 58 58 PHE CB C 40.088 0.3 1 628 58 58 PHE CD1 C 131.63 0.3 1 629 58 58 PHE CE1 C 131.54 0.3 1 630 58 58 PHE CZ C 130.99 0.3 1 631 58 58 PHE N N 126.487 0.3 1 632 59 59 GLY H H 7.951 0.020 1 633 59 59 GLY HA2 H 4.250 0.020 2 634 59 59 GLY HA3 H 3.741 0.020 2 635 59 59 GLY C C 174.632 0.3 1 636 59 59 GLY CA C 44.030 0.3 1 637 59 59 GLY N N 104.712 0.3 1 638 60 60 GLU H H 8.832 0.020 1 639 60 60 GLU HA H 4.172 0.020 1 640 60 60 GLU HB2 H 2.144 0.020 2 641 60 60 GLU HB3 H 2.020 0.020 2 642 60 60 GLU HG2 H 2.443 0.020 2 643 60 60 GLU HG3 H 2.295 0.020 2 644 60 60 GLU C C 177.532 0.3 1 645 60 60 GLU CA C 58.602 0.3 1 646 60 60 GLU CB C 29.507 0.3 1 647 60 60 GLU CG C 36.357 0.3 1 648 60 60 GLU N N 118.124 0.3 1 649 61 61 GLY H H 9.033 0.020 1 650 61 61 GLY HA2 H 4.703 0.020 2 651 61 61 GLY HA3 H 4.033 0.020 2 652 61 61 GLY C C 174.001 0.3 1 653 61 61 GLY CA C 45.036 0.3 1 654 61 61 GLY N N 108.973 0.3 1 655 62 62 SER H H 7.527 0.020 1 656 62 62 SER HA H 5.648 0.020 1 657 62 62 SER HB2 H 3.753 0.020 2 658 62 62 SER HB3 H 3.675 0.020 2 659 62 62 SER C C 174.986 0.3 1 660 62 62 SER CA C 55.489 0.3 1 661 62 62 SER CB C 64.488 0.3 1 662 62 62 SER N N 114.554 0.3 1 663 63 63 GLN H H 8.395 0.020 1 664 63 63 GLN HA H 4.767 0.020 1 665 63 63 GLN HB2 H 2.048 0.020 2 666 63 63 GLN HB3 H 1.972 0.020 2 667 63 63 GLN HG2 H 2.368 0.020 2 668 63 63 GLN HG3 H 2.215 0.020 2 669 63 63 GLN HE21 H 7.550 0.020 1 670 63 63 GLN HE22 H 6.934 0.020 1 671 63 63 GLN C C 174.864 0.3 1 672 63 63 GLN CA C 55.153 0.3 1 673 63 63 GLN CB C 29.249 0.3 1 674 63 63 GLN CG C 34.637 0.3 1 675 63 63 GLN N N 123.990 0.3 1 676 63 63 GLN NE2 N 111.300 0.3 1 677 64 64 PHE H H 9.245 0.020 1 678 64 64 PHE HA H 5.194 0.020 1 679 64 64 PHE HB2 H 3.091 0.020 2 680 64 64 PHE HB3 H 3.053 0.020 2 681 64 64 PHE HD1 H 7.180 0.020 1 682 64 64 PHE HD2 H 7.180 0.020 1 683 64 64 PHE C C 174.231 0.3 1 684 64 64 PHE CA C 55.335 0.3 1 685 64 64 PHE CB C 39.941 0.3 1 686 64 64 PHE CD1 C 133.204 0.3 1 687 64 64 PHE N N 123.851 0.3 1 688 65 65 ASN H H 9.876 0.020 1 689 65 65 ASN HA H 5.193 0.020 1 690 65 65 ASN HB2 H 3.096 0.020 2 691 65 65 ASN HB3 H 3.044 0.020 2 692 65 65 ASN HD21 H 7.867 0.020 1 693 65 65 ASN HD22 H 6.906 0.020 1 694 65 65 ASN C C 175.753 0.3 1 695 65 65 ASN CA C 55.714 0.3 1 696 65 65 ASN CB C 40.494 0.3 1 697 65 65 ASN N N 118.293 0.3 1 698 65 65 ASN ND2 N 112.796 0.3 1 699 66 66 TYR H H 8.881 0.020 1 700 66 66 TYR HA H 5.805 0.020 1 701 66 66 TYR HB2 H 3.176 0.020 2 702 66 66 TYR HB3 H 3.061 0.020 2 703 66 66 TYR HD1 H 6.958 0.020 1 704 66 66 TYR HD2 H 6.958 0.020 1 705 66 66 TYR C C 173.603 0.3 1 706 66 66 TYR CA C 57.093 0.3 1 707 66 66 TYR CB C 40.893 0.3 1 708 66 66 TYR CD1 C 130.894 0.3 1 709 66 66 TYR N N 117.731 0.3 1 710 67 67 VAL H H 8.744 0.020 1 711 67 67 VAL HA H 4.902 0.020 1 712 67 67 VAL HB H 2.252 0.020 1 713 67 67 VAL HG1 H 1.006 0.020 2 714 67 67 VAL HG2 H 0.919 0.020 2 715 67 67 VAL C C 174.459 0.3 1 716 67 67 VAL CA C 60.313 0.3 1 717 67 67 VAL CB C 36.601 0.3 1 718 67 67 VAL CG1 C 22.102 0.3 1 719 67 67 VAL CG2 C 20.474 0.3 1 720 67 67 VAL N N 113.088 0.3 1 721 68 68 LYS H H 8.778 0.020 1 722 68 68 LYS HA H 5.649 0.020 1 723 68 68 LYS HB2 H 1.732 0.020 2 724 68 68 LYS HB3 H 1.655 0.020 2 725 68 68 LYS HG2 H 1.304 0.020 2 726 68 68 LYS HG3 H 1.239 0.020 2 727 68 68 LYS HD2 H 1.643 0.020 2 728 68 68 LYS HD3 H 1.575 0.020 2 729 68 68 LYS HE2 H 2.990 0.020 2 730 68 68 LYS HE3 H 2.925 0.020 2 731 68 68 LYS C C 174.864 0.3 1 732 68 68 LYS CA C 55.459 0.3 1 733 68 68 LYS CB C 35.562 0.3 1 734 68 68 LYS CG C 25.129 0.3 1 735 68 68 LYS CD C 29.281 0.3 1 736 68 68 LYS CE C 41.958 0.3 1 737 68 68 LYS N N 121.469 0.3 1 738 69 69 HIS H H 6.892 0.020 1 739 69 69 HIS HA H 3.984 0.020 1 740 69 69 HIS HB2 H 3.359 0.020 2 741 69 69 HIS HB3 H 3.100 0.020 2 742 69 69 HIS HD2 H 6.854 0.020 1 743 69 69 HIS HE1 H 7.306 0.020 1 744 69 69 HIS C C 173.326 0.3 1 745 69 69 HIS CA C 60.964 0.3 1 746 69 69 HIS CB C 34.911 0.3 1 747 69 69 HIS CD2 C 121.644 0.3 1 748 69 69 HIS CE1 C 131.417 0.3 1 749 70 70 ARG H H 7.410 0.020 1 750 70 70 ARG HA H 4.675 0.020 1 751 70 70 ARG HB2 H 1.624 0.020 2 752 70 70 ARG HB3 H 1.552 0.020 2 753 70 70 ARG HG2 H 1.760 0.020 1 754 70 70 ARG HG3 H 1.760 0.020 1 755 70 70 ARG HD2 H 3.220 0.020 1 756 70 70 ARG HD3 H 3.220 0.020 1 757 70 70 ARG HE H 6.780 0.020 1 758 70 70 ARG HH11 H 6.815 0.020 1 759 70 70 ARG HH12 H 6.83 0.020 1 760 70 70 ARG HH21 H 6.890 0.020 1 761 70 70 ARG HH22 H 6.90 0.020 1 762 70 70 ARG C C 180.718 0.3 1 763 70 70 ARG CA C 59.087 0.3 1 764 70 70 ARG CB C 31.495 0.3 1 765 70 70 ARG CG C 26.549 0.3 1 766 70 70 ARG CD C 43.555 0.3 1 767 70 70 ARG N N 122.149 0.3 1 768 70 70 ARG NE N 86.462 0.3 1 769 70 70 ARG NH1 N 87.82 0.3 1 770 70 70 ARG NH2 N 87.83 0.3 1 771 71 71 ILE HA H 3.801 0.020 1 772 71 71 ILE HB H 1.891 0.020 1 773 71 71 ILE HG12 H 1.196 0.020 2 774 71 71 ILE HG13 H 1.144 0.020 2 775 71 71 ILE HG2 H 0.783 0.020 1 776 71 71 ILE HD1 H 0.893 0.020 1 777 71 71 ILE C C 174.882 0.3 1 778 71 71 ILE CA C 62.954 0.3 1 779 71 71 ILE CB C 38.080 0.3 1 780 71 71 ILE CG1 C 26.694 0.3 1 781 71 71 ILE CG2 C 17.163 0.3 1 782 71 71 ILE CD1 C 13.312 0.3 1 783 72 72 ASP H H 9.179 0.020 1 784 72 72 ASP HA H 3.827 0.020 1 785 72 72 ASP HB2 H 2.794 0.020 1 786 72 72 ASP HB3 H 2.794 0.020 1 787 72 72 ASP C C 175.752 0.3 1 788 72 72 ASP CA C 55.583 0.3 1 789 72 72 ASP CB C 42.246 0.3 1 790 72 72 ASP N N 129.928 0.3 1 791 73 73 GLU H H 7.895 0.020 1 792 73 73 GLU HA H 4.512 0.020 1 793 73 73 GLU HB2 H 1.988 0.020 2 794 73 73 GLU HB3 H 1.846 0.020 2 795 73 73 GLU HG2 H 2.182 0.020 2 796 73 73 GLU HG3 H 2.069 0.020 2 797 73 73 GLU C C 173.937 0.3 1 798 73 73 GLU CA C 56.171 0.3 1 799 73 73 GLU CB C 33.469 0.3 1 800 73 73 GLU CG C 36.028 0.3 1 801 73 73 GLU N N 117.927 0.3 1 802 74 74 ILE H H 8.643 0.020 1 803 74 74 ILE HB H 1.998 0.020 1 804 74 74 ILE HG12 H 1.643 0.020 2 805 74 74 ILE HG13 H 1.345 0.020 2 806 74 74 ILE HG2 H 1.160 0.020 1 807 74 74 ILE HD1 H 0.836 0.020 1 808 74 74 ILE C C 173.733 0.3 1 809 74 74 ILE CA C 62.077 0.3 1 810 74 74 ILE CB C 41.046 0.3 1 811 74 74 ILE CG1 C 28.945 0.3 1 812 74 74 ILE CG2 C 17.237 0.3 1 813 74 74 ILE CD1 C 13.717 0.3 1 814 74 74 ILE N N 122.471 0.3 1 815 75 75 ASP H H 9.091 0.020 1 816 75 75 ASP HA H 5.039 0.020 1 817 75 75 ASP HB2 H 3.150 0.020 2 818 75 75 ASP HB3 H 2.498 0.020 2 819 75 75 ASP C C 176.190 0.3 1 820 75 75 ASP CA C 52.228 0.3 1 821 75 75 ASP CB C 42.055 0.3 1 822 75 75 ASP N N 127.149 0.3 1 823 76 76 ASN H H 7.214 0.020 1 824 76 76 ASN HA H 4.133 0.020 1 825 76 76 ASN HB2 H 2.800 0.020 1 826 76 76 ASN HB3 H 2.800 0.020 1 827 76 76 ASN HD21 H 6.740 0.020 1 828 76 76 ASN HD22 H 7.459 0.020 1 829 76 76 ASN C C 175.744 0.3 1 830 76 76 ASN CA C 55.065 0.3 1 831 76 76 ASN CB C 38.745 0.3 1 832 76 76 ASN N N 118.404 0.3 1 833 76 76 ASN ND2 N 110.047 0.3 1 834 77 77 ALA H H 8.148 0.020 1 835 77 77 ALA HA H 3.936 0.020 1 836 77 77 ALA HB H 1.321 0.020 1 837 77 77 ALA C C 177.796 0.3 1 838 77 77 ALA CA C 53.774 0.3 1 839 77 77 ALA CB C 18.697 0.3 1 840 77 77 ALA N N 120.567 0.3 1 841 78 78 ASN H H 7.260 0.020 1 842 78 78 ASN HA H 4.551 0.020 1 843 78 78 ASN HB2 H 2.734 0.020 2 844 78 78 ASN HB3 H 2.299 0.020 2 845 78 78 ASN HD21 H 8.515 0.020 1 846 78 78 ASN HD22 H 6.809 0.020 1 847 78 78 ASN C C 173.794 0.3 1 848 78 78 ASN CA C 51.851 0.3 1 849 78 78 ASN CB C 39.339 0.3 1 850 78 78 ASN N N 112.041 0.3 1 851 78 78 ASN ND2 N 116.944 0.3 1 852 79 79 PHE H H 7.033 0.020 1 853 79 79 PHE HA H 3.122 0.020 1 854 79 79 PHE HB2 H 3.618 0.020 2 855 79 79 PHE HB3 H 2.780 0.020 2 856 79 79 PHE HD1 H 6.895 0.020 1 857 79 79 PHE HD2 H 6.895 0.020 1 858 79 79 PHE HE1 H 7.087 0.020 1 859 79 79 PHE HE2 H 7.087 0.020 1 860 79 79 PHE C C 173.611 0.3 1 861 79 79 PHE CA C 57.107 0.3 1 862 79 79 PHE CB C 36.987 0.3 1 863 79 79 PHE CD1 C 131.71 0.3 1 864 79 79 PHE CE1 C 131.87 0.3 1 865 79 79 PHE N N 118.014 0.3 1 866 80 80 THR H H 8.040 0.020 1 867 80 80 THR HA H 5.618 0.020 1 868 80 80 THR HB H 4.103 0.020 1 869 80 80 THR HG2 H 1.177 0.020 1 870 80 80 THR C C 172.512 0.3 1 871 80 80 THR CA C 61.116 0.3 1 872 80 80 THR CB C 71.724 0.3 1 873 80 80 THR CG2 C 21.682 0.3 1 874 80 80 THR N N 110.433 0.3 1 875 81 81 TYR H H 9.196 0.020 1 876 81 81 TYR HA H 5.301 0.020 1 877 81 81 TYR HB2 H 3.040 0.020 2 878 81 81 TYR HB3 H 2.814 0.020 2 879 81 81 TYR HD1 H 7.012 0.020 1 880 81 81 TYR HD2 H 7.012 0.020 1 881 81 81 TYR HE1 H 7.159 0.020 1 882 81 81 TYR HE2 H 7.159 0.020 1 883 81 81 TYR C C 172.216 0.3 1 884 81 81 TYR CA C 56.197 0.3 1 885 81 81 TYR CB C 42.982 0.3 1 886 81 81 TYR CD1 C 131.348 0.3 1 887 81 81 TYR CE1 C 120.93 0.3 1 888 81 81 TYR N N 126.559 0.3 1 889 82 82 ALA H H 8.648 0.020 1 890 82 82 ALA HA H 5.485 0.020 1 891 82 82 ALA HB H 1.533 0.020 1 892 82 82 ALA C C 175.927 0.3 1 893 82 82 ALA CA C 50.652 0.3 1 894 82 82 ALA CB C 22.638 0.3 1 895 82 82 ALA N N 129.469 0.3 1 896 83 83 CYS H H 9.103 0.020 1 897 83 83 CYS HA H 5.331 0.020 1 898 83 83 CYS HB2 H 2.796 0.020 2 899 83 83 CYS HB3 H 2.545 0.020 2 900 83 83 CYS C C 172.112 0.3 1 901 83 83 CYS CA C 56.064 0.3 1 902 83 83 CYS CB C 38.826 0.3 1 903 83 83 CYS N N 118.251 0.3 1 904 84 84 THR H H 8.931 0.020 1 905 84 84 THR HA H 5.109 0.020 1 906 84 84 THR HB H 3.775 0.020 1 907 84 84 THR HG2 H 0.975 0.020 1 908 84 84 THR C C 173.349 0.3 1 909 84 84 THR CA C 62.086 0.3 1 910 84 84 THR CB C 71.436 0.3 1 911 84 84 THR CG2 C 22.485 0.3 1 912 84 84 THR N N 115.890 0.3 1 913 85 85 LEU H H 9.798 0.020 1 914 85 85 LEU HA H 4.991 0.020 1 915 85 85 LEU HB2 H 1.841 0.020 2 916 85 85 LEU HB3 H 1.483 0.020 2 917 85 85 LEU HG H 1.735 0.020 1 918 85 85 LEU HD1 H 0.818 0.020 2 919 85 85 LEU HD2 H 0.883 0.020 2 920 85 85 LEU C C 175.833 0.3 1 921 85 85 LEU CA C 55.102 0.3 1 922 85 85 LEU CB C 41.514 0.3 1 923 85 85 LEU CG C 28.446 0.3 1 924 85 85 LEU CD1 C 25.297 0.3 1 925 85 85 LEU CD2 C 25.297 0.3 1 926 85 85 LEU N N 128.506 0.3 1 927 86 86 ILE H H 8.063 0.020 1 928 86 86 ILE HA H 4.586 0.020 1 929 86 86 ILE HB H 1.995 0.020 1 930 86 86 ILE HG12 H 1.343 0.020 2 931 86 86 ILE HG13 H 1.144 0.020 2 932 86 86 ILE HG2 H 0.889 0.020 1 933 86 86 ILE HD1 H 0.886 0.020 1 934 86 86 ILE C C 175.406 0.3 1 935 86 86 ILE CA C 61.400 0.3 1 936 86 86 ILE CB C 40.482 0.3 1 937 86 86 ILE CG1 C 26.710 0.3 1 938 86 86 ILE CG2 C 17.371 0.3 1 939 86 86 ILE CD1 C 13.691 0.3 1 940 86 86 ILE N N 115.614 0.3 1 941 87 87 GLU H H 7.699 0.020 1 942 87 87 GLU HA H 4.585 0.020 1 943 87 87 GLU HB2 H 2.036 0.020 2 944 87 87 GLU HB3 H 1.985 0.020 2 945 87 87 GLU HG2 H 2.239 0.020 2 946 87 87 GLU HG3 H 2.172 0.020 2 947 87 87 GLU C C 174.005 0.3 1 948 87 87 GLU CA C 56.238 0.3 1 949 87 87 GLU CB C 33.562 0.3 1 950 87 87 GLU CG C 36.282 0.3 1 951 87 87 GLU N N 118.912 0.3 1 952 88 88 GLY H H 8.536 0.020 1 953 88 88 GLY HA2 H 4.268 0.020 2 954 88 88 GLY HA3 H 3.445 0.020 2 955 88 88 GLY C C 173.507 0.3 1 956 88 88 GLY CA C 45.392 0.3 1 957 88 88 GLY N N 110.648 0.3 1 958 89 89 ASP H H 8.255 0.020 1 959 89 89 ASP HA H 4.471 0.020 1 960 89 89 ASP HB2 H 2.827 0.020 2 961 89 89 ASP HB3 H 2.716 0.020 2 962 89 89 ASP C C 176.682 0.3 1 963 89 89 ASP CA C 56.171 0.3 1 964 89 89 ASP CB C 40.402 0.3 1 965 89 89 ASP N N 119.135 0.3 1 966 90 90 ALA H H 7.618 0.020 1 967 90 90 ALA HA H 3.981 0.020 1 968 90 90 ALA HB H 1.063 0.020 1 969 90 90 ALA C C 176.855 0.3 1 970 90 90 ALA CA C 52.683 0.3 1 971 90 90 ALA CB C 19.079 0.3 1 972 90 90 ALA N N 118.615 0.3 1 973 91 91 ILE H H 7.363 0.020 1 974 91 91 ILE HA H 4.599 0.020 1 975 91 91 ILE HB H 1.986 0.020 1 976 91 91 ILE HG12 H 1.333 0.020 2 977 91 91 ILE HG13 H 1.202 0.020 2 978 91 91 ILE HG2 H 0.803 0.020 1 979 91 91 ILE HD1 H 0.869 0.020 1 980 91 91 ILE C C 175.497 0.3 1 981 91 91 ILE CA C 60.847 0.3 1 982 91 91 ILE CB C 37.284 0.3 1 983 91 91 ILE CG1 C 28.330 0.3 1 984 91 91 ILE CG2 C 17.558 0.3 1 985 91 91 ILE CD1 C 13.394 0.3 1 986 91 91 ILE N N 116.396 0.3 1 987 92 92 SER H H 7.892 0.020 1 988 92 92 SER HA H 4.550 0.020 1 989 92 92 SER HB2 H 4.121 0.020 2 990 92 92 SER HB3 H 3.848 0.020 2 991 92 92 SER C C 174.773 0.3 1 992 92 92 SER CA C 58.494 0.3 1 993 92 92 SER CB C 67.631 0.3 1 994 92 92 SER N N 118.781 0.3 1 995 93 93 GLU HA H 4.232 0.020 1 996 93 93 GLU HB2 H 2.062 0.020 2 997 93 93 GLU HB3 H 2.009 0.020 2 998 93 93 GLU HG2 H 2.387 0.020 2 999 93 93 GLU HG3 H 2.282 0.020 2 1000 93 93 GLU C C 176.928 0.3 1 1001 93 93 GLU CA C 58.754 0.3 1 1002 93 93 GLU CB C 29.515 0.3 1 1003 93 93 GLU CG C 36.282 0.3 1 1004 94 94 THR H H 7.655 0.020 1 1005 94 94 THR HA H 4.287 0.020 1 1006 94 94 THR HB H 4.117 0.020 1 1007 94 94 THR HG2 H 1.381 0.020 1 1008 94 94 THR CA C 62.314 0.3 1 1009 94 94 THR CB C 69.256 0.3 1 1010 94 94 THR CG2 C 18.879 0.3 1 1011 94 94 THR N N 106.848 0.3 1 1012 95 95 LEU H H 7.792 0.020 1 1013 95 95 LEU HA H 4.805 0.020 1 1014 95 95 LEU HB2 H 1.730 0.020 2 1015 95 95 LEU HB3 H 1.482 0.020 2 1016 95 95 LEU HG H 1.654 0.020 1 1017 95 95 LEU HD1 H 0.959 0.020 2 1018 95 95 LEU HD2 H 0.981 0.020 2 1019 95 95 LEU C C 174.896 0.3 1 1020 95 95 LEU CA C 53.884 0.3 1 1021 95 95 LEU CB C 43.885 0.3 1 1022 95 95 LEU CG C 29.145 0.3 1 1023 95 95 LEU CD1 C 25.606 0.3 1 1024 95 95 LEU CD2 C 25.346 0.3 1 1025 95 95 LEU N N 122.787 0.3 1 1026 96 96 GLU H H 9.146 0.020 1 1027 96 96 GLU HA H 4.281 0.020 1 1028 96 96 GLU HB2 H 1.947 0.020 2 1029 96 96 GLU HB3 H 1.890 0.020 2 1030 96 96 GLU HG2 H 2.298 0.020 2 1031 96 96 GLU HG3 H 2.189 0.020 2 1032 96 96 GLU C C 176.251 0.3 1 1033 96 96 GLU CA C 57.846 0.3 1 1034 96 96 GLU CB C 31.622 0.3 1 1035 96 96 GLU CG C 36.198 0.3 1 1036 96 96 GLU N N 121.329 0.3 1 1037 97 97 LYS H H 7.617 0.020 1 1038 97 97 LYS HA H 4.702 0.020 1 1039 97 97 LYS HB2 H 1.989 0.020 2 1040 97 97 LYS HB3 H 1.875 0.020 2 1041 97 97 LYS HG2 H 1.413 0.020 2 1042 97 97 LYS HG3 H 1.321 0.020 2 1043 97 97 LYS HD2 H 1.624 0.020 2 1044 97 97 LYS HD3 H 1.537 0.020 2 1045 97 97 LYS HE2 H 2.971 0.020 2 1046 97 97 LYS HE3 H 2.889 0.020 2 1047 97 97 LYS C C 173.733 0.3 1 1048 97 97 LYS CA C 55.841 0.3 1 1049 97 97 LYS CB C 33.768 0.3 1 1050 97 97 LYS CG C 24.787 0.3 1 1051 97 97 LYS CD C 29.055 0.3 1 1052 97 97 LYS CE C 41.899 0.3 1 1053 97 97 LYS N N 109.516 0.3 1 1054 98 98 ILE H H 7.662 0.020 1 1055 98 98 ILE HA H 4.890 0.020 1 1056 98 98 ILE HB H 1.448 0.020 1 1057 98 98 ILE HG12 H 1.197 0.020 2 1058 98 98 ILE HG13 H 1.014 0.020 2 1059 98 98 ILE HG2 H 0.153 0.020 1 1060 98 98 ILE HD1 H 0.602 0.020 1 1061 98 98 ILE C C 173.891 0.3 1 1062 98 98 ILE CA C 60.633 0.3 1 1063 98 98 ILE CB C 42.173 0.3 1 1064 98 98 ILE CG1 C 25.716 0.3 1 1065 98 98 ILE CG2 C 15.988 0.3 1 1066 98 98 ILE CD1 C 12.175 0.3 1 1067 98 98 ILE N N 118.594 0.3 1 1068 99 99 ALA H H 9.333 0.020 1 1069 99 99 ALA HA H 5.247 0.020 1 1070 99 99 ALA HB H 1.480 0.020 1 1071 99 99 ALA C C 175.246 0.3 1 1072 99 99 ALA CA C 50.550 0.3 1 1073 99 99 ALA CB C 22.061 0.3 1 1074 99 99 ALA N N 130.492 0.3 1 1075 100 100 TYR H H 9.221 0.020 1 1076 100 100 TYR HA H 4.386 0.020 1 1077 100 100 TYR HB2 H 2.720 0.020 2 1078 100 100 TYR HB3 H 2.659 0.020 2 1079 100 100 TYR HD1 H 6.953 0.020 1 1080 100 100 TYR HD2 H 6.953 0.020 1 1081 100 100 TYR HE1 H 6.855 0.020 1 1082 100 100 TYR HE2 H 6.855 0.020 1 1083 100 100 TYR C C 174.819 0.3 1 1084 100 100 TYR CA C 56.944 0.3 1 1085 100 100 TYR CB C 42.875 0.3 1 1086 100 100 TYR CD1 C 131.236 0.3 1 1087 100 100 TYR CE1 C 121.286 0.3 1 1088 100 100 TYR N N 121.536 0.3 1 1089 101 101 GLU H H 8.781 0.020 1 1090 101 101 GLU HA H 5.263 0.020 1 1091 101 101 GLU HB2 H 2.032 0.020 2 1092 101 101 GLU HB3 H 1.805 0.020 2 1093 101 101 GLU HG2 H 2.316 0.020 2 1094 101 101 GLU HG3 H 2.167 0.020 2 1095 101 101 GLU C C 174.722 0.3 1 1096 101 101 GLU CA C 55.092 0.3 1 1097 101 101 GLU CB C 33.667 0.3 1 1098 101 101 GLU CG C 36.113 0.3 1 1099 101 101 GLU N N 123.381 0.3 1 1100 102 102 ILE H H 9.578 0.020 1 1101 102 102 ILE HA H 5.204 0.020 1 1102 102 102 ILE HB H 1.948 0.020 1 1103 102 102 ILE HG12 H 1.214 0.020 2 1104 102 102 ILE HG13 H 1.146 0.020 2 1105 102 102 ILE HG2 H 0.949 0.020 1 1106 102 102 ILE HD1 H 0.818 0.020 1 1107 102 102 ILE C C 174.005 0.3 1 1108 102 102 ILE CA C 59.337 0.3 1 1109 102 102 ILE CB C 41.613 0.3 1 1110 102 102 ILE CG1 C 26.684 0.3 1 1111 102 102 ILE CG2 C 17.785 0.3 1 1112 102 102 ILE CD1 C 12.262 0.3 1 1113 102 102 ILE N N 124.301 0.3 1 1114 103 103 LYS H H 8.894 0.020 1 1115 103 103 LYS HA H 5.466 0.020 1 1116 103 103 LYS HB2 H 1.879 0.020 2 1117 103 103 LYS HB3 H 1.775 0.020 2 1118 103 103 LYS HG2 H 1.398 0.020 2 1119 103 103 LYS HG3 H 1.450 0.020 2 1120 103 103 LYS HD2 H 1.604 0.020 1 1121 103 103 LYS HD3 H 1.604 0.020 1 1122 103 103 LYS HE2 H 2.992 0.020 2 1123 103 103 LYS HE3 H 2.841 0.020 2 1124 103 103 LYS C C 175.146 0.3 1 1125 103 103 LYS CA C 54.966 0.3 1 1126 103 103 LYS CB C 36.433 0.3 1 1127 103 103 LYS CG C 25.115 0.3 1 1128 103 103 LYS CD C 29.082 0.3 1 1129 103 103 LYS CE C 41.880 0.3 1 1130 103 103 LYS N N 125.029 0.3 1 1131 104 104 LEU H H 8.312 0.020 1 1132 104 104 LEU HA H 5.520 0.020 1 1133 104 104 LEU HB2 H 1.982 0.020 2 1134 104 104 LEU HB3 H 1.253 0.020 2 1135 104 104 LEU HG H 1.885 0.020 1 1136 104 104 LEU HD1 H 0.976 0.020 2 1137 104 104 LEU HD2 H 0.902 0.020 2 1138 104 104 LEU C C 175.923 0.3 1 1139 104 104 LEU CA C 53.244 0.3 1 1140 104 104 LEU CB C 43.601 0.3 1 1141 104 104 LEU CG C 27.748 0.3 1 1142 104 104 LEU CD1 C 24.731 0.3 1 1143 104 104 LEU CD2 C 24.561 0.3 1 1144 104 104 LEU N N 122.536 0.3 1 1145 105 105 VAL H H 8.807 0.020 1 1146 105 105 VAL HA H 4.445 0.020 1 1147 105 105 VAL HB H 2.108 0.020 1 1148 105 105 VAL HG1 H 0.987 0.020 2 1149 105 105 VAL HG2 H 0.899 0.020 2 1150 105 105 VAL C C 174.956 0.3 1 1151 105 105 VAL CA C 59.965 0.3 1 1152 105 105 VAL CB C 35.332 0.3 1 1153 105 105 VAL CG1 C 20.781 0.3 1 1154 105 105 VAL CG2 C 20.674 0.3 1 1155 105 105 VAL N N 119.737 0.3 1 1156 106 106 ALA H H 8.648 0.020 1 1157 106 106 ALA HA H 4.575 0.020 1 1158 106 106 ALA HB H 1.474 0.020 1 1159 106 106 ALA C C 177.425 0.3 1 1160 106 106 ALA CA C 52.604 0.3 1 1161 106 106 ALA CB C 18.692 0.3 1 1162 106 106 ALA N N 126.771 0.3 1 1163 107 107 SER H H 8.179 0.020 1 1164 107 107 SER HA H 4.847 0.020 1 1165 107 107 SER HB2 H 4.060 0.020 2 1166 107 107 SER HB3 H 3.565 0.020 2 1167 107 107 SER C C 175.018 0.3 1 1168 107 107 SER CA C 55.050 0.3 1 1169 107 107 SER CB C 63.613 0.3 1 1170 107 107 SER N N 118.922 0.3 1 1171 108 108 PRO HA H 4.412 0.020 1 1172 108 108 PRO HB2 H 2.375 0.020 2 1173 108 108 PRO HB3 H 1.966 0.020 2 1174 108 108 PRO HG2 H 2.062 0.020 1 1175 108 108 PRO HG3 H 2.062 0.020 1 1176 108 108 PRO HD2 H 3.873 0.020 1 1177 108 108 PRO HD3 H 3.873 0.020 1 1178 108 108 PRO C C 176.396 0.3 1 1179 108 108 PRO CA C 64.999 0.3 1 1180 108 108 PRO CB C 31.845 0.3 1 1181 108 108 PRO CG C 27.448 0.3 1 1182 108 108 PRO CD C 50.990 0.3 1 1183 109 109 ASP H H 7.698 0.020 1 1184 109 109 ASP HA H 4.645 0.020 1 1185 109 109 ASP HB2 H 2.748 0.020 2 1186 109 109 ASP HB3 H 2.685 0.020 2 1187 109 109 ASP CA C 53.585 0.3 1 1188 109 109 ASP CB C 40.499 0.3 1 1189 109 109 ASP N N 114.046 0.3 1 1190 110 110 GLY H H 7.810 0.020 1 1191 110 110 GLY HA2 H 4.432 0.020 2 1192 110 110 GLY HA3 H 3.773 0.020 2 1193 110 110 GLY C C 174.306 0.3 1 1194 110 110 GLY CA C 45.390 0.3 1 1195 110 110 GLY N N 108.055 0.3 1 1196 111 111 GLY H H 7.642 0.020 1 1197 111 111 GLY HA2 H 4.146 0.020 2 1198 111 111 GLY HA3 H 4.038 0.020 2 1199 111 111 GLY C C 174.558 0.3 1 1200 111 111 GLY CA C 44.413 0.3 1 1201 111 111 GLY N N 108.852 0.3 1 1202 112 112 SER H H 8.704 0.020 1 1203 112 112 SER HA H 5.457 0.020 1 1204 112 112 SER HB2 H 3.471 0.020 2 1205 112 112 SER HB3 H 3.433 0.020 2 1206 112 112 SER C C 172.994 0.3 1 1207 112 112 SER CA C 58.488 0.3 1 1208 112 112 SER CB C 66.595 0.3 1 1209 112 112 SER N N 116.816 0.3 1 1210 113 113 ILE H H 9.313 0.020 1 1211 113 113 ILE HA H 4.456 0.020 1 1212 113 113 ILE HB H 1.652 0.020 1 1213 113 113 ILE HG12 H 1.016 0.020 2 1214 113 113 ILE HG13 H 1.089 0.020 2 1215 113 113 ILE HG2 H 0.268 0.020 1 1216 113 113 ILE HD1 H 0.615 0.020 1 1217 113 113 ILE C C 174.793 0.3 1 1218 113 113 ILE CA C 60.970 0.3 1 1219 113 113 ILE CB C 39.490 0.3 1 1220 113 113 ILE CG1 C 25.051 0.3 1 1221 113 113 ILE CG2 C 17.512 0.3 1 1222 113 113 ILE CD1 C 12.610 0.3 1 1223 113 113 ILE N N 123.928 0.3 1 1224 114 114 LEU H H 9.105 0.020 1 1225 114 114 LEU HA H 4.833 0.020 1 1226 114 114 LEU HB2 H 1.453 0.020 2 1227 114 114 LEU HB3 H 1.095 0.020 2 1228 114 114 LEU HG H 1.344 0.020 1 1229 114 114 LEU HD1 H 0.543 0.020 2 1230 114 114 LEU HD2 H 0.422 0.020 2 1231 114 114 LEU C C 175.268 0.3 1 1232 114 114 LEU CA C 54.711 0.3 1 1233 114 114 LEU CB C 42.812 0.3 1 1234 114 114 LEU CG C 28.098 0.3 1 1235 114 114 LEU CD1 C 25.955 0.3 1 1236 114 114 LEU CD2 C 25.272 0.3 1 1237 114 114 LEU N N 129.022 0.3 1 1238 115 115 LYS H H 9.261 0.020 1 1239 115 115 LYS HA H 5.057 0.020 1 1240 115 115 LYS HB2 H 2.010 0.020 2 1241 115 115 LYS HB3 H 1.836 0.020 2 1242 115 115 LYS HG2 H 1.460 0.020 2 1243 115 115 LYS HG3 H 1.424 0.020 2 1244 115 115 LYS HD2 H 1.661 0.020 2 1245 115 115 LYS HD3 H 1.622 0.020 2 1246 115 115 LYS HE2 H 2.967 0.020 2 1247 115 115 LYS HE3 H 2.878 0.020 2 1248 115 115 LYS C C 175.157 0.3 1 1249 115 115 LYS CA C 55.222 0.3 1 1250 115 115 LYS CB C 33.684 0.3 1 1251 115 115 LYS CG C 24.847 0.3 1 1252 115 115 LYS CD C 28.997 0.3 1 1253 115 115 LYS CE C 41.789 0.3 1 1254 115 115 LYS N N 128.406 0.3 1 1255 116 116 SER H H 9.000 0.020 1 1256 116 116 SER HA H 5.628 0.020 1 1257 116 116 SER HB2 H 3.804 0.020 2 1258 116 116 SER HB3 H 3.683 0.020 2 1259 116 116 SER C C 174.027 0.3 1 1260 116 116 SER CA C 56.227 0.3 1 1261 116 116 SER CB C 65.771 0.3 1 1262 116 116 SER N N 120.117 0.3 1 1263 117 117 THR H H 9.125 0.020 1 1264 117 117 THR HA H 5.108 0.020 1 1265 117 117 THR HB H 4.019 0.020 1 1266 117 117 THR HG2 H 1.193 0.020 1 1267 117 117 THR C C 173.394 0.3 1 1268 117 117 THR CA C 62.332 0.3 1 1269 117 117 THR CB C 71.051 0.3 1 1270 117 117 THR CG2 C 21.770 0.3 1 1271 117 117 THR N N 121.840 0.3 1 1272 118 118 SER H H 9.366 0.020 1 1273 118 118 SER HA H 5.412 0.020 1 1274 118 118 SER HB2 H 3.783 0.020 2 1275 118 118 SER HB3 H 3.717 0.020 2 1276 118 118 SER C C 173.304 0.3 1 1277 118 118 SER CA C 56.072 0.3 1 1278 118 118 SER CB C 65.503 0.3 1 1279 118 118 SER N N 121.974 0.3 1 1280 119 119 LYS H H 9.264 0.020 1 1281 119 119 LYS HA H 5.287 0.020 1 1282 119 119 LYS HB2 H 1.705 0.020 2 1283 119 119 LYS HB3 H 1.653 0.020 2 1284 119 119 LYS HG2 H 1.359 0.020 2 1285 119 119 LYS HG3 H 1.265 0.020 2 1286 119 119 LYS HD2 H 1.536 0.020 2 1287 119 119 LYS HD3 H 1.407 0.020 2 1288 119 119 LYS HE2 H 2.964 0.020 2 1289 119 119 LYS HE3 H 2.874 0.020 2 1290 119 119 LYS C C 174.615 0.3 1 1291 119 119 LYS CA C 56.201 0.3 1 1292 119 119 LYS CB C 33.802 0.3 1 1293 119 119 LYS CG C 24.827 0.3 1 1294 119 119 LYS CD C 29.132 0.3 1 1295 119 119 LYS CE C 41.889 0.3 1 1296 119 119 LYS N N 123.046 0.3 1 1297 120 120 TYR H H 9.676 0.020 1 1298 120 120 TYR HA H 4.596 0.020 1 1299 120 120 TYR HB2 H 3.340 0.020 2 1300 120 120 TYR HB3 H 2.780 0.020 2 1301 120 120 TYR HD1 H 7.164 0.020 1 1302 120 120 TYR HD2 H 7.164 0.020 1 1303 120 120 TYR HE1 H 6.771 0.020 1 1304 120 120 TYR HE2 H 6.771 0.020 1 1305 120 120 TYR C C 174.908 0.3 1 1306 120 120 TYR CA C 57.854 0.3 1 1307 120 120 TYR CB C 39.642 0.3 1 1308 120 120 TYR CD1 C 133.631 0.3 1 1309 120 120 TYR CE1 C 120.781 0.3 1 1310 120 120 TYR N N 125.277 0.3 1 1311 121 121 HIS H H 8.527 0.020 1 1312 121 121 HIS HA H 5.379 0.020 1 1313 121 121 HIS HB2 H 3.280 0.020 1 1314 121 121 HIS HB3 H 3.280 0.020 1 1315 121 121 HIS HD2 H 6.944 0.020 1 1316 121 121 HIS HE1 H 7.011 0.020 1 1317 121 121 HIS C C 175.747 0.3 1 1318 121 121 HIS CA C 55.154 0.3 1 1319 121 121 HIS CB C 30.791 0.3 1 1320 121 121 HIS CD2 C 121.280 0.3 1 1321 121 121 HIS CE1 C 135.808 0.3 1 1322 121 121 HIS N N 124.104 0.3 1 1323 122 122 THR H H 9.379 0.020 1 1324 122 122 THR HA H 5.177 0.020 1 1325 122 122 THR HB H 4.532 0.020 1 1326 122 122 THR HG2 H 1.235 0.020 1 1327 122 122 THR C C 175.149 0.3 1 1328 122 122 THR CA C 59.956 0.3 1 1329 122 122 THR CB C 71.061 0.3 1 1330 122 122 THR CG2 C 22.767 0.3 1 1331 122 122 THR N N 115.638 0.3 1 1332 123 123 LYS H H 8.601 0.020 1 1333 123 123 LYS HA H 4.463 0.020 1 1334 123 123 LYS HB2 H 1.836 0.020 2 1335 123 123 LYS HB3 H 1.647 0.020 2 1336 123 123 LYS HG2 H 1.440 0.020 2 1337 123 123 LYS HG3 H 1.385 0.020 2 1338 123 123 LYS HD2 H 1.653 0.020 2 1339 123 123 LYS HD3 H 1.580 0.020 2 1340 123 123 LYS HE2 H 2.999 0.020 2 1341 123 123 LYS HE3 H 2.932 0.020 2 1342 123 123 LYS C C 176.786 0.3 1 1343 123 123 LYS CA C 56.100 0.3 1 1344 123 123 LYS CB C 33.724 0.3 1 1345 123 123 LYS CG C 24.903 0.3 1 1346 123 123 LYS CD C 29.147 0.3 1 1347 123 123 LYS CE C 42.046 0.3 1 1348 123 123 LYS N N 121.724 0.3 1 1349 124 124 GLY HA2 H 4.472 0.020 1 1350 125 125 ASP HA H 4.819 0.020 1 1351 125 125 ASP HB2 H 2.745 0.020 2 1352 125 125 ASP HB3 H 2.543 0.020 2 1353 125 125 ASP C C 176.257 0.3 1 1354 125 125 ASP CA C 53.570 0.3 1 1355 125 125 ASP CB C 40.540 0.3 1 1356 126 126 HIS H H 7.928 0.020 1 1357 126 126 HIS HA H 4.461 0.020 1 1358 126 126 HIS HB2 H 3.274 0.020 2 1359 126 126 HIS HB3 H 3.089 0.020 2 1360 126 126 HIS HD2 H 6.938 0.020 1 1361 126 126 HIS HE1 H 7.597 0.020 1 1362 126 126 HIS C C 175.768 0.3 1 1363 126 126 HIS CA C 58.150 0.3 1 1364 126 126 HIS CB C 31.534 0.3 1 1365 126 126 HIS CD2 C 120.634 0.3 1 1366 126 126 HIS CE1 C 134.121 0.3 1 1367 126 126 HIS N N 119.326 0.3 1 1368 127 127 GLU H H 8.550 0.020 1 1369 127 127 GLU HA H 4.406 0.020 1 1370 127 127 GLU HB2 H 1.890 0.020 2 1371 127 127 GLU HB3 H 1.832 0.020 2 1372 127 127 GLU HG2 H 2.185 0.020 2 1373 127 127 GLU HG3 H 2.117 0.020 2 1374 127 127 GLU C C 175.311 0.3 1 1375 127 127 GLU CA C 54.976 0.3 1 1376 127 127 GLU CB C 31.328 0.3 1 1377 127 127 GLU CG C 36.190 0.3 1 1378 127 127 GLU N N 123.191 0.3 1 1379 128 128 ILE H H 6.462 0.020 1 1380 128 128 ILE HA H 4.121 0.020 1 1381 128 128 ILE HB H 1.210 0.020 1 1382 128 128 ILE HG12 H 1.047 0.020 2 1383 128 128 ILE HG13 H 0.828 0.020 2 1384 128 128 ILE HG2 H 0.399 0.020 1 1385 128 128 ILE HD1 H 0.548 0.020 1 1386 128 128 ILE C C 174.525 0.3 1 1387 128 128 ILE CA C 58.829 0.3 1 1388 128 128 ILE CB C 38.930 0.3 1 1389 128 128 ILE CG1 C 27.317 0.3 1 1390 128 128 ILE CG2 C 17.434 0.3 1 1391 128 128 ILE CD1 C 13.203 0.3 1 1392 128 128 ILE N N 119.870 0.3 1 1393 129 129 LYS H H 8.154 0.020 1 1394 129 129 LYS HA H 5.434 0.020 1 1395 129 129 LYS HB2 H 1.776 0.020 2 1396 129 129 LYS HB3 H 1.896 0.020 2 1397 129 129 LYS HG2 H 1.409 0.020 2 1398 129 129 LYS HG3 H 1.351 0.020 2 1399 129 129 LYS HD2 H 1.627 0.020 2 1400 129 129 LYS HD3 H 1.577 0.020 2 1401 129 129 LYS HE2 H 2.979 0.020 2 1402 129 129 LYS HE3 H 2.880 0.020 2 1403 129 129 LYS C C 177.397 0.3 1 1404 129 129 LYS CA C 54.764 0.3 1 1405 129 129 LYS CB C 33.099 0.3 1 1406 129 129 LYS CG C 24.773 0.3 1 1407 129 129 LYS CD C 29.051 0.3 1 1408 129 129 LYS CE C 41.995 0.3 1 1409 129 129 LYS N N 125.051 0.3 1 1410 130 130 GLU H H 8.123 0.020 1 1411 130 130 GLU HA H 3.651 0.020 1 1412 130 130 GLU HB2 H 2.062 0.020 2 1413 130 130 GLU HB3 H 1.998 0.020 2 1414 130 130 GLU HG2 H 2.354 0.020 2 1415 130 130 GLU HG3 H 2.245 0.020 2 1416 130 130 GLU C C 177.939 0.3 1 1417 130 130 GLU CA C 59.896 0.3 1 1418 130 130 GLU CB C 29.291 0.3 1 1419 130 130 GLU CG C 36.028 0.3 1 1420 130 130 GLU N N 121.200 0.3 1 1421 131 131 ASP H H 8.616 0.020 1 1422 131 131 ASP HA H 4.244 0.020 1 1423 131 131 ASP HB2 H 2.658 0.020 2 1424 131 131 ASP HB3 H 2.546 0.020 2 1425 131 131 ASP C C 178.368 0.3 1 1426 131 131 ASP CA C 56.863 0.3 1 1427 131 131 ASP CB C 39.722 0.3 1 1428 131 131 ASP N N 115.787 0.3 1 1429 132 132 GLN H H 7.542 0.020 1 1430 132 132 GLN HA H 4.161 0.020 1 1431 132 132 GLN HB2 H 2.191 0.020 2 1432 132 132 GLN HB3 H 2.056 0.020 2 1433 132 132 GLN HG2 H 2.485 0.020 2 1434 132 132 GLN HG3 H 2.343 0.020 2 1435 132 132 GLN C C 177.906 0.3 1 1436 132 132 GLN CA C 58.082 0.3 1 1437 132 132 GLN CB C 28.832 0.3 1 1438 132 132 GLN CG C 33.761 0.3 1 1439 132 132 GLN N N 118.408 0.3 1 1440 133 133 ILE H H 7.133 0.020 1 1441 133 133 ILE HA H 3.835 0.020 1 1442 133 133 ILE HB H 1.738 0.020 1 1443 133 133 ILE HG12 H 0.970 0.020 2 1444 133 133 ILE HG13 H 0.644 0.020 2 1445 133 133 ILE HG2 H 0.333 0.020 1 1446 133 133 ILE HD1 H 0.106 0.020 1 1447 133 133 ILE C C 178.016 0.3 1 1448 133 133 ILE CA C 62.964 0.3 1 1449 133 133 ILE CB C 37.595 0.3 1 1450 133 133 ILE CG1 C 26.836 0.3 1 1451 133 133 ILE CG2 C 17.066 0.3 1 1452 133 133 ILE CD1 C 12.360 0.3 1 1453 133 133 ILE N N 117.739 0.3 1 1454 134 134 LYS H H 7.862 0.020 1 1455 134 134 LYS HA H 3.824 0.020 1 1456 134 134 LYS HB2 H 1.929 0.020 2 1457 134 134 LYS HB3 H 1.814 0.020 2 1458 134 134 LYS HG2 H 1.402 0.020 2 1459 134 134 LYS HG3 H 1.337 0.020 2 1460 134 134 LYS HD2 H 1.629 0.020 2 1461 134 134 LYS HD3 H 1.547 0.020 2 1462 134 134 LYS C C 178.007 0.3 1 1463 134 134 LYS CA C 59.712 0.3 1 1464 134 134 LYS CB C 32.531 0.3 1 1465 134 134 LYS CG C 24.696 0.3 1 1466 134 134 LYS CD C 29.004 0.3 1 1467 134 134 LYS N N 120.384 0.3 1 1468 135 135 ALA H H 7.848 0.020 1 1469 135 135 ALA HA H 4.212 0.020 1 1470 135 135 ALA HB H 1.457 0.020 1 1471 135 135 ALA C C 180.718 0.3 1 1472 135 135 ALA CA C 55.173 0.3 1 1473 135 135 ALA CB C 17.858 0.3 1 1474 135 135 ALA N N 120.795 0.3 1 1475 136 136 GLY H H 8.060 0.020 1 1476 136 136 GLY HA2 H 4.679 0.020 2 1477 136 136 GLY HA3 H 3.874 0.020 2 1478 136 136 GLY C C 175.633 0.3 1 1479 136 136 GLY CA C 47.125 0.3 1 1480 136 136 GLY N N 105.807 0.3 1 1481 138 138 GLU HA H 4.023 0.020 1 1482 138 138 GLU HB2 H 1.953 0.020 2 1483 138 138 GLU HB3 H 1.857 0.020 2 1484 138 138 GLU HG2 H 2.398 0.020 2 1485 138 138 GLU HG3 H 2.214 0.020 2 1486 138 138 GLU CA C 57.481 0.3 1 1487 138 138 GLU CB C 31.927 0.3 1 1488 138 138 GLU CG C 36.278 0.3 1 1489 139 139 GLU H H 8.414 0.020 1 1490 139 139 GLU HA H 4.165 0.020 1 1491 139 139 GLU HB2 H 2.186 0.020 2 1492 139 139 GLU HB3 H 2.103 0.020 2 1493 139 139 GLU HG2 H 2.374 0.020 2 1494 139 139 GLU HG3 H 2.342 0.020 2 1495 139 139 GLU CA C 59.634 0.3 1 1496 139 139 GLU CB C 29.251 0.3 1 1497 139 139 GLU CG C 34.517 0.3 1 1498 139 139 GLU N N 120.128 0.3 1 1499 140 140 ALA HA H 4.058 0.020 1 1500 140 140 ALA HB H 1.485 0.020 1 1501 140 140 ALA C C 179.518 0.3 1 1502 140 140 ALA CA C 55.522 0.3 1 1503 140 140 ALA CB C 17.917 0.3 1 1504 141 141 SER H H 8.415 0.020 1 1505 141 141 SER HA H 4.261 0.020 1 1506 141 141 SER HB2 H 4.029 0.020 2 1507 141 141 SER HB3 H 3.924 0.020 2 1508 141 141 SER CA C 61.848 0.3 1 1509 141 141 SER CB C 63.042 0.3 1 1510 141 141 SER N N 112.801 0.3 1 1511 142 142 GLY H H 8.032 0.020 1 1512 142 142 GLY HA2 H 3.910 0.020 2 1513 142 142 GLY HA3 H 3.852 0.020 2 1514 142 142 GLY C C 177.080 0.3 1 1515 142 142 GLY CA C 46.983 0.3 1 1516 142 142 GLY N N 107.935 0.3 1 1517 143 143 ILE H H 7.826 0.020 1 1518 143 143 ILE HA H 4.129 0.020 1 1519 143 143 ILE HB H 1.863 0.020 1 1520 143 143 ILE HG12 H 1.999 0.020 2 1521 143 143 ILE HG13 H 1.920 0.020 2 1522 143 143 ILE HG2 H 0.794 0.020 1 1523 143 143 ILE HD1 H 0.787 0.020 1 1524 143 143 ILE C C 177.554 0.3 1 1525 143 143 ILE CA C 62.068 0.3 1 1526 143 143 ILE CB C 37.738 0.3 1 1527 143 143 ILE CG1 C 26.936 0.3 1 1528 143 143 ILE CG2 C 17.580 0.3 1 1529 143 143 ILE CD1 C 10.699 0.3 1 1530 143 143 ILE N N 123.044 0.3 1 1531 144 144 PHE H H 8.388 0.020 1 1532 144 144 PHE HA H 3.839 0.020 1 1533 144 144 PHE HB2 H 3.192 0.020 2 1534 144 144 PHE HB3 H 3.060 0.020 2 1535 144 144 PHE HD1 H 7.009 0.020 1 1536 144 144 PHE HD2 H 7.009 0.020 1 1537 144 144 PHE C C 176.967 0.3 1 1538 144 144 PHE CA C 62.563 0.3 1 1539 144 144 PHE CB C 38.581 0.3 1 1540 144 144 PHE CD1 C 131.008 0.3 1 1541 144 144 PHE N N 119.742 0.3 1 1542 145 145 LYS H H 8.663 0.020 1 1543 145 145 LYS HA H 3.785 0.020 1 1544 145 145 LYS HB2 H 1.977 0.020 2 1545 145 145 LYS HB3 H 1.843 0.020 2 1546 145 145 LYS HG2 H 1.327 0.020 2 1547 145 145 LYS HG3 H 1.195 0.020 2 1548 145 145 LYS HD2 H 1.666 0.020 1 1549 145 145 LYS HD3 H 1.666 0.020 1 1550 145 145 LYS HE2 H 2.924 0.020 2 1551 145 145 LYS HE3 H 3.007 0.020 2 1552 145 145 LYS C C 179.355 0.3 1 1553 145 145 LYS CA C 58.672 0.3 1 1554 145 145 LYS CB C 31.442 0.3 1 1555 145 145 LYS CG C 24.762 0.3 1 1556 145 145 LYS CD C 28.955 0.3 1 1557 145 145 LYS CE C 41.789 0.3 1 1558 145 145 LYS N N 117.055 0.3 1 1559 146 146 ALA H H 7.715 0.020 1 1560 146 146 ALA HA H 4.274 0.020 1 1561 146 146 ALA HB H 1.555 0.020 1 1562 146 146 ALA C C 180.556 0.3 1 1563 146 146 ALA CA C 54.967 0.3 1 1564 146 146 ALA CB C 17.801 0.3 1 1565 146 146 ALA N N 122.759 0.3 1 1566 147 147 VAL H H 8.006 0.020 1 1567 147 147 VAL HA H 3.446 0.020 1 1568 147 147 VAL HB H 2.043 0.020 1 1569 147 147 VAL HG1 H 0.929 0.020 2 1570 147 147 VAL HG2 H 0.603 0.020 2 1571 147 147 VAL C C 176.993 0.3 1 1572 147 147 VAL CA C 67.094 0.3 1 1573 147 147 VAL CB C 31.082 0.3 1 1574 147 147 VAL CG1 C 23.417 0.3 1 1575 147 147 VAL CG2 C 21.039 0.3 1 1576 147 147 VAL N N 121.063 0.3 1 1577 148 148 GLU H H 8.705 0.020 1 1578 148 148 GLU HA H 3.820 0.020 1 1579 148 148 GLU HB2 H 2.132 0.020 2 1580 148 148 GLU HB3 H 1.851 0.020 2 1581 148 148 GLU HG2 H 2.264 0.020 2 1582 148 148 GLU HG3 H 2.217 0.020 2 1583 148 148 GLU C C 177.380 0.3 1 1584 148 148 GLU CA C 60.086 0.3 1 1585 148 148 GLU CB C 29.947 0.3 1 1586 148 148 GLU CG C 36.117 0.3 1 1587 148 148 GLU N N 120.925 0.3 1 1588 149 149 ALA H H 8.187 0.020 1 1589 149 149 ALA HA H 4.010 0.020 1 1590 149 149 ALA HB H 1.544 0.020 1 1591 149 149 ALA C C 180.737 0.3 1 1592 149 149 ALA CA C 55.220 0.3 1 1593 149 149 ALA CB C 18.002 0.3 1 1594 149 149 ALA N N 118.678 0.3 1 1595 150 150 TYR H H 7.771 0.020 1 1596 150 150 TYR HA H 4.127 0.020 1 1597 150 150 TYR HB2 H 3.255 0.020 2 1598 150 150 TYR HB3 H 3.180 0.020 2 1599 150 150 TYR HD1 H 6.981 0.020 1 1600 150 150 TYR HD2 H 6.981 0.020 1 1601 150 150 TYR HE1 H 6.697 0.020 1 1602 150 150 TYR HE2 H 6.697 0.020 1 1603 150 150 TYR C C 178.165 0.3 1 1604 150 150 TYR CA C 62.093 0.3 1 1605 150 150 TYR CB C 38.504 0.3 1 1606 150 150 TYR CD1 C 131.580 0.3 1 1607 150 150 TYR CE1 C 120.646 0.3 1 1608 150 150 TYR N N 119.867 0.3 1 1609 151 151 LEU H H 8.384 0.020 1 1610 151 151 LEU HA H 4.112 0.020 1 1611 151 151 LEU HB2 H 1.836 0.020 2 1612 151 151 LEU HB3 H 1.430 0.020 2 1613 151 151 LEU HG H 1.424 0.020 1 1614 151 151 LEU HD1 H 0.947 0.020 2 1615 151 151 LEU HD2 H 0.800 0.020 2 1616 151 151 LEU C C 178.501 0.3 1 1617 151 151 LEU CA C 57.069 0.3 1 1618 151 151 LEU CB C 41.993 0.3 1 1619 151 151 LEU CG C 25.125 0.3 1 1620 151 151 LEU CD1 C 22.814 0.3 1 1621 151 151 LEU CD2 C 22.860 0.3 1 1622 151 151 LEU N N 119.856 0.3 1 1623 152 152 LEU H H 7.585 0.020 1 1624 152 152 LEU HA H 4.210 0.020 1 1625 152 152 LEU HB2 H 1.397 0.020 2 1626 152 152 LEU HB3 H 1.341 0.020 2 1627 152 152 LEU HG H 1.379 0.020 1 1628 152 152 LEU HD1 H 1.275 0.020 2 1629 152 152 LEU HD2 H 0.867 0.020 2 1630 152 152 LEU C C 176.851 0.3 1 1631 152 152 LEU CA C 52.830 0.3 1 1632 152 152 LEU CB C 38.851 0.3 1 1633 152 152 LEU CD1 C 25.699 0.3 1 1634 152 152 LEU CD2 C 25.474 0.3 1 1635 152 152 LEU N N 119.081 0.3 1 1636 153 153 ALA H H 7.130 0.020 1 1637 153 153 ALA HA H 4.151 0.020 1 1638 153 153 ALA HB H 1.394 0.020 1 1639 153 153 ALA C C 172.490 0.3 1 1640 153 153 ALA CA C 53.011 0.3 1 1641 153 153 ALA CB C 19.025 0.3 1 1642 153 153 ALA N N 115.117 0.3 1 1643 154 154 ASN HA H 4.691 0.020 1 1644 154 154 ASN HB2 H 2.409 0.020 2 1645 154 154 ASN HB3 H 2.203 0.020 2 1646 154 154 ASN HD21 H 7.572 0.020 1 1647 154 154 ASN HD22 H 6.741 0.020 1 1648 154 154 ASN CA C 55.852 0.3 1 1649 154 154 ASN CB C 39.278 0.3 1 1650 154 154 ASN ND2 N 110.975 0.3 1 1651 155 155 PRO HA H 4.059 0.020 1 1652 155 155 PRO HB2 H 2.278 0.020 2 1653 155 155 PRO HB3 H 2.042 0.020 2 1654 155 155 PRO HG2 H 1.610 0.020 2 1655 155 155 PRO HG3 H 1.408 0.020 2 1656 155 155 PRO HD2 H 3.138 0.020 2 1657 155 155 PRO HD3 H 3.524 0.020 2 1658 155 155 PRO C C 176.450 0.3 1 1659 155 155 PRO CA C 64.787 0.3 1 1660 155 155 PRO CB C 31.798 0.3 1 1661 155 155 PRO CG C 27.650 0.3 1 1662 155 155 PRO CD C 50.310 0.3 1 1663 156 156 ALA H H 8.228 0.020 1 1664 156 156 ALA HA H 4.334 0.020 1 1665 156 156 ALA HB H 1.346 0.020 1 1666 156 156 ALA C C 178.673 0.3 1 1667 156 156 ALA CA C 52.255 0.3 1 1668 156 156 ALA CB C 18.691 0.3 1 1669 156 156 ALA N N 117.324 0.3 1 1670 157 157 ALA H H 7.772 0.020 1 1671 157 157 ALA HA H 5.082 0.020 1 1672 157 157 ALA HB H 1.224 0.020 1 1673 157 157 ALA C C 178.027 0.3 1 1674 157 157 ALA CA C 50.824 0.3 1 1675 157 157 ALA CB C 18.514 0.3 1 1676 157 157 ALA N N 122.689 0.3 1 1677 158 158 TYR H H 7.367 0.020 1 1678 158 158 TYR N N 120.782 0.3 1 1679 159 159 HIS H H 7.381 0.020 1 1680 159 159 HIS HA H 4.323 0.020 1 1681 159 159 HIS HB2 H 3.091 0.020 2 1682 159 159 HIS HB3 H 2.939 0.020 2 1683 159 159 HIS HD2 H 6.894 0.020 1 1684 159 159 HIS HE1 H 7.087 0.020 1 1685 159 159 HIS CA C 59.113 0.3 1 1686 159 159 HIS CB C 31.688 0.3 1 1687 159 159 HIS CD2 C 120.446 0.3 1 1688 159 159 HIS CE1 C 136.266 0.3 1 stop_ save_