data_26638 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone and side chain chemical shift assignments of apolipophorin III from Galleria mellonella ; _BMRB_accession_number 26638 _BMRB_flat_file_name bmr26638.str _Entry_type original _Submission_date 2015-08-20 _Accession_date 2015-08-20 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Crowhurst Karin A. . 2 Weers Paul M. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 698 "13C chemical shifts" 625 "15N chemical shifts" 185 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2016-07-11 update BMRB 'update entry citation' 2015-12-17 original author 'original release' stop_ _Original_release_date 2015-12-17 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Backbone and side chain chemical shift assignments of apolipophorin III from Galleria mellonella ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 26493308 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Crowhurst Karin A. . 2 Horn James V.C. . 3 Weers Paul M.M. . stop_ _Journal_abbreviation 'Biomol. NMR Assign.' _Journal_volume 10 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 143 _Page_last 147 _Year 2016 _Details . loop_ _Keyword 'Galleria mellonella' 'apolipophorin III' 'chemical shift assignment' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'apolipophorin III' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'apolipophorin III' $apolipophorin_III stop_ _System_molecular_weight 18075 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_apolipophorin_III _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common apolipophorin_III _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 163 _Mol_residue_sequence ; DASTPLQDLEKHAAEFQKTF SEQLNAFTNSKDTKEFNTAL KEGSDSVLQQLNALASSLQK ALNDANGKAKEALEQTRTNL ERTAEELRRAHPDVERQAGA LRDRLQTAVQATVQETQKLA KTVGANLEETNKKLAPQIKS AYDDFVKQAQEVQKKLHEAA SKQ ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 ASP 2 2 ALA 3 3 SER 4 4 THR 5 5 PRO 6 6 LEU 7 7 GLN 8 8 ASP 9 9 LEU 10 10 GLU 11 11 LYS 12 12 HIS 13 13 ALA 14 14 ALA 15 15 GLU 16 16 PHE 17 17 GLN 18 18 LYS 19 19 THR 20 20 PHE 21 21 SER 22 22 GLU 23 23 GLN 24 24 LEU 25 25 ASN 26 26 ALA 27 27 PHE 28 28 THR 29 29 ASN 30 30 SER 31 31 LYS 32 32 ASP 33 33 THR 34 34 LYS 35 35 GLU 36 36 PHE 37 37 ASN 38 38 THR 39 39 ALA 40 40 LEU 41 41 LYS 42 42 GLU 43 43 GLY 44 44 SER 45 45 ASP 46 46 SER 47 47 VAL 48 48 LEU 49 49 GLN 50 50 GLN 51 51 LEU 52 52 ASN 53 53 ALA 54 54 LEU 55 55 ALA 56 56 SER 57 57 SER 58 58 LEU 59 59 GLN 60 60 LYS 61 61 ALA 62 62 LEU 63 63 ASN 64 64 ASP 65 65 ALA 66 66 ASN 67 67 GLY 68 68 LYS 69 69 ALA 70 70 LYS 71 71 GLU 72 72 ALA 73 73 LEU 74 74 GLU 75 75 GLN 76 76 THR 77 77 ARG 78 78 THR 79 79 ASN 80 80 LEU 81 81 GLU 82 82 ARG 83 83 THR 84 84 ALA 85 85 GLU 86 86 GLU 87 87 LEU 88 88 ARG 89 89 ARG 90 90 ALA 91 91 HIS 92 92 PRO 93 93 ASP 94 94 VAL 95 95 GLU 96 96 ARG 97 97 GLN 98 98 ALA 99 99 GLY 100 100 ALA 101 101 LEU 102 102 ARG 103 103 ASP 104 104 ARG 105 105 LEU 106 106 GLN 107 107 THR 108 108 ALA 109 109 VAL 110 110 GLN 111 111 ALA 112 112 THR 113 113 VAL 114 114 GLN 115 115 GLU 116 116 THR 117 117 GLN 118 118 LYS 119 119 LEU 120 120 ALA 121 121 LYS 122 122 THR 123 123 VAL 124 124 GLY 125 125 ALA 126 126 ASN 127 127 LEU 128 128 GLU 129 129 GLU 130 130 THR 131 131 ASN 132 132 LYS 133 133 LYS 134 134 LEU 135 135 ALA 136 136 PRO 137 137 GLN 138 138 ILE 139 139 LYS 140 140 SER 141 141 ALA 142 142 TYR 143 143 ASP 144 144 ASP 145 145 PHE 146 146 VAL 147 147 LYS 148 148 GLN 149 149 ALA 150 150 GLN 151 151 GLU 152 152 VAL 153 153 GLN 154 154 LYS 155 155 LYS 156 156 LEU 157 157 HIS 158 158 GLU 159 159 ALA 160 160 ALA 161 161 SER 162 162 LYS 163 163 GLN 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 $apolipophorin_III 'greater wax moth' 7137 Eukaryota Metazoa Galleria mellonella 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 $apolipophorin_III 'recombinant technology' . Escherichia coli . pET22b+ stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_apolipophorin_III_sample _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $apolipophorin_III 1.2 mM '[U-13C; U-15N]' 'potassium phosphate' 200 mM 'natural abundance' 'sodium azide' 2 mM 'natural abundance' DSS 0.2 mM 'natural abundance' D2O 10 % 'natural abundance' H2O 90 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version 8.2 loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_NMRDraw _Saveframe_category software _Name NMRDraw _Version 8.2 loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_NMRView _Saveframe_category software _Name NMRView _Version 9.0.0-b114 loop_ _Vendor _Address _Electronic_address 'Johnson, One Moon Scientific' . . 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 Agilent _Model DD2 _Field_strength 600 _Details 'RT triple resonance probe' save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $apolipophorin_III_sample save_ save_2D_1H-15N_HSQC_NH2_only_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC NH2 only' _Sample_label $apolipophorin_III_sample save_ save_2D_1H-13C_HSQC_aliphatic_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic' _Sample_label $apolipophorin_III_sample save_ save_2D_1H-13C_HSQC_aromatic_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aromatic' _Sample_label $apolipophorin_III_sample save_ save_3D_CBCA(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $apolipophorin_III_sample save_ save_3D_C(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $apolipophorin_III_sample save_ save_3D_HNCO_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $apolipophorin_III_sample save_ save_3D_HNCACB_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $apolipophorin_III_sample save_ save_3D_HBHA(CO)NH_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $apolipophorin_III_sample save_ save_3D_HN(CO)CA_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $apolipophorin_III_sample save_ save_3D_H(CCO)NH_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $apolipophorin_III_sample save_ save_3D_HCCH-TOCSY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $apolipophorin_III_sample save_ save_3D_1H-15N_NOESY_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $apolipophorin_III_sample save_ save_3D_1H-13C_NOESY_aliphatic_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $apolipophorin_III_sample save_ save_3D_1H-13C_NOESY_aromatic_15 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _Sample_label $apolipophorin_III_sample save_ save_3D_HCACO_16 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCACO' _Sample_label $apolipophorin_III_sample save_ save_3D_HNHB_17 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHB' _Sample_label $apolipophorin_III_sample save_ save_2D_HbCbCgCdHd_18 _Saveframe_category NMR_applied_experiment _Experiment_name '2D HbCbCgCdHd' _Sample_label $apolipophorin_III_sample save_ save_2D_HbCbCgCdCeHe_19 _Saveframe_category NMR_applied_experiment _Experiment_name '2D HbCbCgCdCeHe' _Sample_label $apolipophorin_III_sample 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' 0.3 . M pH 6 . pH pressure 1 . atm temperature 273 . 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_ApoLP-3_chem_shift_list _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $NMRView stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-15N HSQC NH2 only' '2D 1H-13C HSQC aliphatic' '2D 1H-13C HSQC aromatic' '3D CBCA(CO)NH' '3D C(CO)NH' '3D HNCO' '3D HNCACB' '3D HBHA(CO)NH' '3D H(CCO)NH' '3D HCCH-TOCSY' '3D 1H-15N NOESY' '3D 1H-13C NOESY aliphatic' '3D 1H-13C NOESY aromatic' '3D HCACO' '2D HbCbCgCdHd' '2D HbCbCgCdCeHe' stop_ loop_ _Sample_label $apolipophorin_III_sample stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'apolipophorin III' _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 ASP HA H 4.2604 0.0200 1 2 1 1 ASP HB2 H 2.8770 0.0200 2 3 1 1 ASP CA C 53.5196 0.2000 1 4 1 1 ASP CB C 39.8156 0.2000 1 5 2 2 ALA H H 8.7799 0.0200 1 6 2 2 ALA HA H 4.3713 0.0200 1 7 2 2 ALA HB H 1.4431 0.0200 1 8 2 2 ALA C C 177.5123 0.2000 1 9 2 2 ALA CA C 53.1133 0.2000 1 10 2 2 ALA CB C 19.1970 0.2000 1 11 2 2 ALA N N 123.9680 0.2000 1 12 3 3 SER H H 8.3706 0.0200 1 13 3 3 SER HA H 4.5319 0.0200 1 14 3 3 SER HB2 H 3.9410 0.0200 2 15 3 3 SER C C 175.2079 0.2000 1 16 3 3 SER CA C 58.3504 0.2000 1 17 3 3 SER CB C 64.0920 0.2000 1 18 3 3 SER N N 113.9474 0.2000 1 19 4 4 THR H H 8.3012 0.0200 1 20 4 4 THR HA H 4.7322 0.0200 1 21 4 4 THR HB H 4.5374 0.0200 1 22 4 4 THR HG2 H 1.2313 0.0200 1 23 4 4 THR C C 173.4514 0.2000 1 24 4 4 THR CA C 61.2264 0.2000 1 25 4 4 THR CB C 68.6791 0.2000 1 26 4 4 THR N N 116.0701 0.2000 1 27 5 5 PRO HA H 4.4498 0.0200 1 28 5 5 PRO HB2 H 1.9824 0.0200 2 29 5 5 PRO HB3 H 2.4627 0.0200 2 30 5 5 PRO HD2 H 3.7827 0.0200 2 31 5 5 PRO HG2 H 1.5774 0.0200 2 32 5 5 PRO C C 178.8465 0.2000 1 33 5 5 PRO CA C 65.5602 0.2000 1 34 5 5 PRO CB C 31.9399 0.2000 1 35 5 5 PRO CD C 50.4573 0.2000 1 36 5 5 PRO CG C 27.9883 0.2000 1 37 6 6 LEU H H 7.9516 0.0200 1 38 6 6 LEU HA H 4.1760 0.0200 1 39 6 6 LEU HB2 H 1.5529 0.0200 2 40 6 6 LEU HG H 1.8977 0.0200 1 41 6 6 LEU HD1 H 0.9203 0.0200 2 42 6 6 LEU C C 178.9919 0.2000 1 43 6 6 LEU CA C 56.7810 0.2000 1 44 6 6 LEU CB C 40.0159 0.2000 1 45 6 6 LEU CG C 27.0339 0.2000 1 46 6 6 LEU CD1 C 25.5221 0.2000 2 47 6 6 LEU N N 113.4051 0.2000 1 48 7 7 GLN H H 7.8090 0.0200 1 49 7 7 GLN HA H 4.1656 0.0200 1 50 7 7 GLN HB2 H 2.4532 0.0200 2 51 7 7 GLN HE21 H 6.8738 0.0200 2 52 7 7 GLN HE22 H 7.5353 0.0200 2 53 7 7 GLN C C 179.1514 0.2000 1 54 7 7 GLN CA C 59.0700 0.2000 1 55 7 7 GLN CB C 28.4889 0.2000 1 56 7 7 GLN CG C 34.5762 0.2000 1 57 7 7 GLN N N 121.8972 0.2000 1 58 7 7 GLN NE2 N 111.8142 0.2000 1 59 8 8 ASP H H 8.3419 0.0200 1 60 8 8 ASP HA H 4.3656 0.0200 1 61 8 8 ASP HB2 H 2.7124 0.0200 2 62 8 8 ASP C C 178.7948 0.2000 1 63 8 8 ASP CA C 57.1640 0.2000 1 64 8 8 ASP CB C 39.8360 0.2000 1 65 8 8 ASP N N 120.5451 0.2000 1 66 9 9 LEU H H 7.7480 0.0200 1 67 9 9 LEU HA H 3.7050 0.0200 1 68 9 9 LEU HB2 H 1.7063 0.0200 2 69 9 9 LEU HG H 0.7813 0.0200 1 70 9 9 LEU HD1 H 0.4977 0.0200 2 71 9 9 LEU HD2 H 0.2399 0.0200 2 72 9 9 LEU C C 177.8175 0.2000 1 73 9 9 LEU CA C 60.2080 0.2000 1 74 9 9 LEU CB C 42.4932 0.2000 1 75 9 9 LEU CG C 28.4290 0.2000 1 76 9 9 LEU CD1 C 28.3269 0.2000 2 77 9 9 LEU CD2 C 22.5050 0.2000 2 78 9 9 LEU N N 122.8634 0.2000 1 79 10 10 GLU H H 7.8770 0.0200 1 80 10 10 GLU HA H 3.6991 0.0200 1 81 10 10 GLU HB2 H 2.1956 0.0200 2 82 10 10 GLU HG2 H 2.4458 0.0200 2 83 10 10 GLU C C 178.3404 0.2000 1 84 10 10 GLU CA C 61.0594 0.2000 1 85 10 10 GLU CB C 30.2736 0.2000 1 86 10 10 GLU CG C 36.5995 0.2000 1 87 10 10 GLU N N 118.6697 0.2000 1 88 11 11 LYS H H 7.6786 0.0200 1 89 11 11 LYS HA H 4.1610 0.0200 1 90 11 11 LYS HB2 H 1.9369 0.0200 2 91 11 11 LYS C C 179.0607 0.2000 1 92 11 11 LYS CA C 59.1490 0.2000 1 93 11 11 LYS CB C 32.9035 0.2000 1 94 11 11 LYS CG C 25.0916 0.2000 1 95 11 11 LYS CE C 42.1908 0.2000 1 96 11 11 LYS N N 117.3294 0.2000 1 97 12 12 HIS H H 8.3451 0.0200 1 98 12 12 HIS HA H 4.2251 0.0200 1 99 12 12 HIS HB2 H 3.3631 0.0200 2 100 12 12 HIS HB3 H 3.0543 0.0200 2 101 12 12 HIS HD2 H 7.2333 0.0200 1 102 12 12 HIS HE1 H 7.3508 0.0200 1 103 12 12 HIS C C 178.1102 0.2000 1 104 12 12 HIS CA C 61.0249 0.2000 1 105 12 12 HIS CB C 30.9767 0.2000 1 106 12 12 HIS CD2 C 118.6416 0.2000 1 107 12 12 HIS CE1 C 137.1241 0.2000 1 108 12 12 HIS N N 120.6950 0.2000 1 109 13 13 ALA H H 9.2458 0.0200 1 110 13 13 ALA HA H 4.4875 0.0200 1 111 13 13 ALA HB H 1.4450 0.0200 1 112 13 13 ALA C C 180.3658 0.2000 1 113 13 13 ALA CA C 55.5183 0.2000 1 114 13 13 ALA CB C 18.9200 0.2000 1 115 13 13 ALA N N 122.8044 0.2000 1 116 14 14 ALA H H 7.6833 0.0200 1 117 14 14 ALA HA H 4.1428 0.0200 1 118 14 14 ALA HB H 1.5560 0.0200 1 119 14 14 ALA C C 180.3499 0.2000 1 120 14 14 ALA CA C 55.1587 0.2000 1 121 14 14 ALA CB C 18.4830 0.2000 1 122 14 14 ALA N N 119.7685 0.2000 1 123 15 15 GLU H H 7.2880 0.0200 1 124 15 15 GLU HA H 4.2289 0.0200 1 125 15 15 GLU HB3 H 2.1646 0.0200 2 126 15 15 GLU HG3 H 2.4038 0.0200 2 127 15 15 GLU C C 178.5797 0.2000 1 128 15 15 GLU CA C 58.3510 0.2000 1 129 15 15 GLU CB C 29.8503 0.2000 1 130 15 15 GLU CG C 35.9187 0.2000 1 131 15 15 GLU N N 117.2863 0.2000 1 132 16 16 PHE H H 9.2798 0.0200 1 133 16 16 PHE HA H 4.2992 0.0200 1 134 16 16 PHE HB2 H 3.0486 0.0200 2 135 16 16 PHE HD1 H 7.2470 0.0200 3 136 16 16 PHE HE1 H 7.0545 0.0200 3 137 16 16 PHE HZ H 6.7732 0.0200 1 138 16 16 PHE C C 177.1258 0.2000 1 139 16 16 PHE CA C 61.2540 0.2000 1 140 16 16 PHE CB C 39.8476 0.2000 1 141 16 16 PHE CD1 C 131.8689 0.2000 3 142 16 16 PHE CE1 C 130.5157 0.2000 3 143 16 16 PHE CZ C 129.0851 0.2000 1 144 16 16 PHE N N 122.1433 0.2000 1 145 17 17 GLN H H 8.2771 0.0200 1 146 17 17 GLN HA H 4.0210 0.0200 1 147 17 17 GLN HB2 H 2.2512 0.0200 2 148 17 17 GLN HG2 H 2.5668 0.0200 2 149 17 17 GLN HE21 H 6.9878 0.0200 2 150 17 17 GLN HE22 H 7.0644 0.0200 2 151 17 17 GLN C C 178.0882 0.2000 1 152 17 17 GLN CA C 59.3800 0.2000 1 153 17 17 GLN CB C 29.4046 0.2000 1 154 17 17 GLN CG C 34.2653 0.2000 1 155 17 17 GLN N N 114.8241 0.2000 1 156 17 17 GLN NE2 N 109.7434 0.2000 1 157 18 18 LYS H H 7.0780 0.0200 1 158 18 18 LYS HA H 4.1570 0.0200 1 159 18 18 LYS HB2 H 1.9981 0.0200 2 160 18 18 LYS HG2 H 1.3856 0.0200 2 161 18 18 LYS HD2 H 1.5881 0.0200 2 162 18 18 LYS HE2 H 3.0005 0.0200 2 163 18 18 LYS C C 178.3725 0.2000 1 164 18 18 LYS CA C 59.1210 0.2000 1 165 18 18 LYS CB C 32.6916 0.2000 1 166 18 18 LYS CG C 24.8089 0.2000 1 167 18 18 LYS CD C 29.4245 0.2000 1 168 18 18 LYS CE C 42.2637 0.2000 1 169 18 18 LYS N N 118.8881 0.2000 1 170 19 19 THR H H 8.3437 0.0200 1 171 19 19 THR HB H 4.1450 0.0200 1 172 19 19 THR HG2 H 1.2566 0.0200 1 173 19 19 THR C C 176.4081 0.2000 1 174 19 19 THR CA C 65.7251 0.2000 1 175 19 19 THR CB C 68.6373 0.2000 1 176 19 19 THR CG2 C 21.7806 0.2000 1 177 19 19 THR N N 115.4251 0.2000 1 178 20 20 PHE H H 8.8412 0.0200 1 179 20 20 PHE HA H 4.0000 0.0200 1 180 20 20 PHE HB2 H 2.5057 0.0200 2 181 20 20 PHE HB3 H 2.1631 0.0200 2 182 20 20 PHE HD1 H 7.1769 0.0200 3 183 20 20 PHE HE1 H 7.2845 0.0200 3 184 20 20 PHE HZ H 6.9855 0.0200 1 185 20 20 PHE C C 177.4950 0.2000 1 186 20 20 PHE CA C 61.9830 0.2000 1 187 20 20 PHE CB C 39.0393 0.2000 1 188 20 20 PHE CD1 C 132.6052 0.2000 3 189 20 20 PHE CE1 C 130.8612 0.2000 3 190 20 20 PHE CZ C 128.4042 0.2000 1 191 20 20 PHE N N 123.0644 0.2000 1 192 21 21 SER H H 7.3659 0.0200 1 193 21 21 SER HA H 4.0786 0.0200 1 194 21 21 SER HB2 H 4.0240 0.0200 2 195 21 21 SER C C 176.6382 0.2000 1 196 21 21 SER CA C 61.7440 0.2000 1 197 21 21 SER CB C 62.9720 0.2000 1 198 21 21 SER N N 111.5583 0.2000 1 199 22 22 GLU H H 7.8901 0.0200 1 200 22 22 GLU HA H 3.9650 0.0200 1 201 22 22 GLU HB2 H 2.1342 0.0200 2 202 22 22 GLU HG2 H 2.2736 0.0200 2 203 22 22 GLU C C 179.7380 0.2000 1 204 22 22 GLU CA C 59.3310 0.2000 1 205 22 22 GLU CB C 29.4301 0.2000 1 206 22 22 GLU CG C 36.3036 0.2000 1 207 22 22 GLU N N 121.2367 0.2000 1 208 23 23 GLN H H 8.0715 0.0200 1 209 23 23 GLN HA H 3.9150 0.0200 1 210 23 23 GLN HB2 H 2.2714 0.0200 2 211 23 23 GLN HG2 H 2.6099 0.0200 2 212 23 23 GLN HE21 H 6.2428 0.0200 2 213 23 23 GLN HE22 H 6.7292 0.0200 2 214 23 23 GLN C C 178.8068 0.2000 1 215 23 23 GLN CA C 58.4950 0.2000 1 216 23 23 GLN CB C 27.8406 0.2000 1 217 23 23 GLN CG C 34.0528 0.2000 1 218 23 23 GLN N N 118.3739 0.2000 1 219 23 23 GLN NE2 N 107.1056 0.2000 1 220 24 24 LEU H H 7.8528 0.0200 1 221 24 24 LEU HA H 4.1145 0.0200 1 222 24 24 LEU HB2 H 1.5420 0.0200 2 223 24 24 LEU HG H 0.7542 0.0200 1 224 24 24 LEU HD1 H 0.8124 0.0200 2 225 24 24 LEU C C 179.4649 0.2000 1 226 24 24 LEU CA C 56.7748 0.2000 1 227 24 24 LEU CB C 40.3000 0.2000 1 228 24 24 LEU CD1 C 24.2947 0.2000 2 229 24 24 LEU N N 119.6806 0.2000 1 230 25 25 ASN H H 8.0178 0.0200 1 231 25 25 ASN HA H 4.4956 0.0200 1 232 25 25 ASN HB3 H 2.8219 0.0200 2 233 25 25 ASN HD21 H 6.8766 0.0200 2 234 25 25 ASN HD22 H 7.5042 0.0200 2 235 25 25 ASN C C 176.7863 0.2000 1 236 25 25 ASN CA C 54.8336 0.2000 1 237 25 25 ASN CB C 38.2199 0.2000 1 238 25 25 ASN N N 117.7429 0.2000 1 239 25 25 ASN ND2 N 112.2091 0.2000 1 240 26 26 ALA H H 7.2232 0.0200 1 241 26 26 ALA HA H 4.1359 0.0200 1 242 26 26 ALA HB H 1.1530 0.0200 1 243 26 26 ALA C C 178.5892 0.2000 1 244 26 26 ALA CA C 53.6289 0.2000 1 245 26 26 ALA CB C 18.1742 0.2000 1 246 26 26 ALA N N 121.2408 0.2000 1 247 27 27 PHE H H 7.3075 0.0200 1 248 27 27 PHE HA H 4.9007 0.0200 1 249 27 27 PHE HB2 H 3.4451 0.0200 2 250 27 27 PHE HB3 H 2.9522 0.0200 2 251 27 27 PHE HD1 H 7.2534 0.0200 3 252 27 27 PHE HE1 H 7.1953 0.0200 3 253 27 27 PHE HZ H 7.0132 0.0200 1 254 27 27 PHE C C 176.8229 0.2000 1 255 27 27 PHE CA C 56.7825 0.2000 1 256 27 27 PHE CB C 38.7488 0.2000 1 257 27 27 PHE CD1 C 131.5444 0.2000 3 258 27 27 PHE CE1 C 130.3685 0.2000 3 259 27 27 PHE CZ C 129.2953 0.2000 1 260 27 27 PHE N N 115.3528 0.2000 1 261 28 28 THR H H 7.8120 0.0200 1 262 28 28 THR HA H 4.0693 0.0200 1 263 28 28 THR HB H 4.2146 0.0200 1 264 28 28 THR HG2 H 1.2602 0.0200 1 265 28 28 THR C C 174.5620 0.2000 1 266 28 28 THR CA C 64.4615 0.2000 1 267 28 28 THR CB C 69.1494 0.2000 1 268 28 28 THR CG2 C 21.7138 0.2000 1 269 28 28 THR N N 115.9580 0.2000 1 270 29 29 ASN H H 8.2902 0.0200 1 271 29 29 ASN HA H 4.8111 0.0200 1 272 29 29 ASN HB2 H 2.7505 0.0200 2 273 29 29 ASN HB3 H 2.8603 0.0200 2 274 29 29 ASN HD21 H 6.8583 0.0200 2 275 29 29 ASN HD22 H 7.5515 0.0200 2 276 29 29 ASN C C 175.2208 0.2000 1 277 29 29 ASN CA C 53.1770 0.2000 1 278 29 29 ASN CB C 38.6809 0.2000 1 279 29 29 ASN N N 118.4465 0.2000 1 280 29 29 ASN ND2 N 112.8559 0.2000 1 281 30 30 SER H H 7.7554 0.0200 1 282 30 30 SER HA H 4.3256 0.0200 1 283 30 30 SER HB2 H 3.6267 0.0200 2 284 30 30 SER HB3 H 3.6411 0.0200 2 285 30 30 SER C C 174.1726 0.2000 1 286 30 30 SER CA C 59.2718 0.2000 1 287 30 30 SER CB C 63.7578 0.2000 1 288 30 30 SER N N 116.2800 0.2000 1 289 31 31 LYS H H 8.2629 0.0200 1 290 31 31 LYS HA H 4.2100 0.0200 1 291 31 31 LYS HB2 H 1.6916 0.0200 2 292 31 31 LYS HG2 H 1.3872 0.0200 2 293 31 31 LYS HD2 H 1.7255 0.0200 2 294 31 31 LYS HE2 H 2.9628 0.0200 2 295 31 31 LYS C C 176.0678 0.2000 1 296 31 31 LYS CA C 56.5160 0.2000 1 297 31 31 LYS CB C 33.0486 0.2000 1 298 31 31 LYS CG C 24.8952 0.2000 1 299 31 31 LYS N N 123.0240 0.2000 1 300 32 32 ASP H H 8.5218 0.0200 1 301 32 32 ASP HA H 4.7970 0.0200 1 302 32 32 ASP HB2 H 2.8494 0.0200 2 303 32 32 ASP HB3 H 2.6730 0.0200 2 304 32 32 ASP C C 176.2606 0.2000 1 305 32 32 ASP CA C 54.1144 0.2000 1 306 32 32 ASP CB C 40.6322 0.2000 1 307 32 32 ASP N N 123.0366 0.2000 1 308 33 33 THR H H 7.7786 0.0200 1 309 33 33 THR HA H 4.5759 0.0200 1 310 33 33 THR HB H 4.7195 0.0200 1 311 33 33 THR HG2 H 1.2650 0.0200 1 312 33 33 THR C C 175.3008 0.2000 1 313 33 33 THR CA C 59.9099 0.2000 1 314 33 33 THR CB C 71.6048 0.2000 1 315 33 33 THR CG2 C 22.1393 0.2000 1 316 33 33 THR N N 113.1028 0.2000 1 317 34 34 LYS H H 9.0120 0.0200 1 318 34 34 LYS HA H 4.1560 0.0200 1 319 34 34 LYS HB2 H 1.9058 0.0200 2 320 34 34 LYS HG2 H 1.5098 0.0200 2 321 34 34 LYS HD2 H 1.7190 0.0200 2 322 34 34 LYS HE2 H 3.0036 0.0200 2 323 34 34 LYS C C 179.5256 0.2000 1 324 34 34 LYS CA C 59.8150 0.2000 1 325 34 34 LYS CB C 32.1105 0.2000 1 326 34 34 LYS CG C 24.8390 0.2000 1 327 34 34 LYS N N 123.5588 0.2000 1 328 35 35 GLU H H 9.2403 0.0200 1 329 35 35 GLU HA H 4.0436 0.0200 1 330 35 35 GLU HB2 H 2.1189 0.0200 2 331 35 35 GLU C C 179.4108 0.2000 1 332 35 35 GLU CA C 60.5212 0.2000 1 333 35 35 GLU CB C 28.9222 0.2000 1 334 35 35 GLU CG C 37.2577 0.2000 1 335 35 35 GLU N N 119.3056 0.2000 1 336 36 36 PHE H H 8.2874 0.0200 1 337 36 36 PHE HA H 4.1101 0.0200 1 338 36 36 PHE HB2 H 3.1156 0.0200 2 339 36 36 PHE HB3 H 3.1061 0.0200 2 340 36 36 PHE HD1 H 7.0659 0.0200 3 341 36 36 PHE HE1 H 7.0138 0.0200 3 342 36 36 PHE HZ H 6.6915 0.0200 1 343 36 36 PHE C C 176.4331 0.2000 1 344 36 36 PHE CA C 61.4912 0.2000 1 345 36 36 PHE CB C 39.7829 0.2000 1 346 36 36 PHE CD1 C 131.3624 0.2000 3 347 36 36 PHE CE1 C 131.3914 0.2000 3 348 36 36 PHE CZ C 128.7678 0.2000 1 349 36 36 PHE N N 122.5191 0.2000 1 350 37 37 ASN H H 8.5645 0.0200 1 351 37 37 ASN HA H 4.1652 0.0200 1 352 37 37 ASN HB2 H 3.0270 0.0200 2 353 37 37 ASN HB3 H 2.6967 0.0200 2 354 37 37 ASN HD21 H 7.0224 0.0200 2 355 37 37 ASN HD22 H 7.5356 0.0200 2 356 37 37 ASN C C 178.3735 0.2000 1 357 37 37 ASN CA C 57.3860 0.2000 1 358 37 37 ASN CB C 38.3692 0.2000 1 359 37 37 ASN N N 118.2685 0.2000 1 360 37 37 ASN ND2 N 110.6416 0.2000 1 361 38 38 THR H H 8.4424 0.0200 1 362 38 38 THR HA H 3.8762 0.0200 1 363 38 38 THR HB H 4.2259 0.0200 1 364 38 38 THR HG2 H 1.2006 0.0200 1 365 38 38 THR C C 175.3428 0.2000 1 366 38 38 THR CA C 67.0441 0.2000 1 367 38 38 THR CB C 68.7497 0.2000 1 368 38 38 THR CG2 C 21.6738 0.2000 1 369 38 38 THR N N 116.9836 0.2000 1 370 39 39 ALA H H 7.6289 0.0200 1 371 39 39 ALA HA H 4.1500 0.0200 1 372 39 39 ALA HB H 1.2452 0.0200 1 373 39 39 ALA C C 180.6905 0.2000 1 374 39 39 ALA CA C 55.1670 0.2000 1 375 39 39 ALA CB C 17.8330 0.2000 1 376 39 39 ALA N N 124.2182 0.2000 1 377 40 40 LEU H H 8.1869 0.0200 1 378 40 40 LEU HA H 3.7334 0.0200 1 379 40 40 LEU HB2 H 1.2089 0.0200 2 380 40 40 LEU HG H 1.7746 0.0200 1 381 40 40 LEU HD1 H 0.7132 0.0200 2 382 40 40 LEU C C 179.2109 0.2000 1 383 40 40 LEU CA C 57.9269 0.2000 1 384 40 40 LEU CB C 42.8714 0.2000 1 385 40 40 LEU CD1 C 26.3243 0.2000 2 386 40 40 LEU N N 120.1622 0.2000 1 387 41 41 LYS H H 8.1208 0.0200 1 388 41 41 LYS HA H 3.9194 0.0200 1 389 41 41 LYS HB2 H 1.3923 0.0200 2 390 41 41 LYS HG2 H 1.1803 0.0200 2 391 41 41 LYS HD2 H 1.5688 0.0200 2 392 41 41 LYS C C 178.8757 0.2000 1 393 41 41 LYS CA C 60.2680 0.2000 1 394 41 41 LYS CB C 32.3373 0.2000 1 395 41 41 LYS CD C 25.4380 0.2000 1 396 41 41 LYS N N 123.3042 0.2000 1 397 42 42 GLU H H 8.7054 0.0200 1 398 42 42 GLU HA H 4.1220 0.0200 1 399 42 42 GLU HB3 H 2.1103 0.0200 2 400 42 42 GLU HG3 H 2.5562 0.0200 2 401 42 42 GLU C C 180.2998 0.2000 1 402 42 42 GLU CA C 59.2520 0.2000 1 403 42 42 GLU CB C 29.2995 0.2000 1 404 42 42 GLU CG C 36.6024 0.2000 1 405 42 42 GLU N N 119.4078 0.2000 1 406 43 43 GLY H H 8.6969 0.0200 1 407 43 43 GLY HA2 H 3.9878 0.0200 2 408 43 43 GLY HA3 H 3.5663 0.0200 2 409 43 43 GLY C C 175.1738 0.2000 1 410 43 43 GLY CA C 47.8401 0.2000 1 411 43 43 GLY N N 108.6866 0.2000 1 412 44 44 SER H H 8.3390 0.0200 1 413 44 44 SER HA H 4.1442 0.0200 1 414 44 44 SER C C 175.8715 0.2000 1 415 44 44 SER CA C 62.7650 0.2000 1 416 44 44 SER N N 118.1734 0.2000 1 417 45 45 ASP H H 8.0170 0.0200 1 418 45 45 ASP HA H 4.4765 0.0200 1 419 45 45 ASP HB2 H 2.7968 0.0200 2 420 45 45 ASP C C 179.2044 0.2000 1 421 45 45 ASP CA C 57.6231 0.2000 1 422 45 45 ASP CB C 40.1551 0.2000 1 423 45 45 ASP N N 121.9047 0.2000 1 424 46 46 SER H H 8.3994 0.0200 1 425 46 46 SER HA H 4.2619 0.0200 1 426 46 46 SER HB2 H 3.9570 0.0200 2 427 46 46 SER C C 177.3515 0.2000 1 428 46 46 SER CA C 62.5509 0.2000 1 429 46 46 SER N N 117.3290 0.2000 1 430 47 47 VAL H H 8.3375 0.0200 1 431 47 47 VAL HA H 3.5090 0.0200 1 432 47 47 VAL HB H 2.2045 0.0200 1 433 47 47 VAL HG1 H 0.9542 0.0200 2 434 47 47 VAL C C 177.2965 0.2000 1 435 47 47 VAL CA C 67.3811 0.2000 1 436 47 47 VAL CB C 31.1978 0.2000 1 437 47 47 VAL CG1 C 21.2109 0.2000 2 438 47 47 VAL N N 122.9333 0.2000 1 439 48 48 LEU H H 8.5008 0.0200 1 440 48 48 LEU HA H 4.0930 0.0200 1 441 48 48 LEU HB2 H 1.8031 0.0200 2 442 48 48 LEU HG H 1.8641 0.0200 1 443 48 48 LEU HD1 H 0.9854 0.0200 2 444 48 48 LEU C C 178.8210 0.2000 1 445 48 48 LEU CA C 58.7570 0.2000 1 446 48 48 LEU CB C 41.2609 0.2000 1 447 48 48 LEU CG C 27.4513 0.2000 1 448 48 48 LEU CD1 C 25.7266 0.2000 2 449 48 48 LEU N N 121.8354 0.2000 1 450 49 49 GLN H H 8.1484 0.0200 1 451 49 49 GLN HA H 3.9480 0.0200 1 452 49 49 GLN HB2 H 2.1299 0.0200 2 453 49 49 GLN HG2 H 2.4107 0.0200 2 454 49 49 GLN HE21 H 6.8172 0.0200 2 455 49 49 GLN HE22 H 7.4176 0.0200 2 456 49 49 GLN C C 179.4802 0.2000 1 457 49 49 GLN CA C 59.2500 0.2000 1 458 49 49 GLN CB C 28.1318 0.2000 1 459 49 49 GLN CG C 33.6753 0.2000 1 460 49 49 GLN N N 117.7188 0.2000 1 461 49 49 GLN NE2 N 111.7969 0.2000 1 462 50 50 GLN H H 8.1547 0.0200 1 463 50 50 GLN HA H 4.1130 0.0200 1 464 50 50 GLN HB3 H 2.3223 0.0200 2 465 50 50 GLN HG3 H 2.5218 0.0200 2 466 50 50 GLN HE21 H 7.0208 0.0200 2 467 50 50 GLN HE22 H 8.1536 0.0200 2 468 50 50 GLN C C 178.2066 0.2000 1 469 50 50 GLN CA C 57.4480 0.2000 1 470 50 50 GLN CB C 28.0447 0.2000 1 471 50 50 GLN CG C 34.6842 0.2000 1 472 50 50 GLN N N 120.8861 0.2000 1 473 50 50 GLN NE2 N 115.4331 0.2000 1 474 51 51 LEU H H 9.1691 0.0200 1 475 51 51 LEU HA H 4.1480 0.0200 1 476 51 51 LEU HB2 H 1.8921 0.0200 2 477 51 51 LEU HD1 H 0.9506 0.0200 2 478 51 51 LEU C C 178.9317 0.2000 1 479 51 51 LEU CA C 58.9120 0.2000 1 480 51 51 LEU CB C 42.3699 0.2000 1 481 51 51 LEU CG C 28.5151 0.2000 1 482 51 51 LEU CD1 C 25.4373 0.2000 2 483 51 51 LEU N N 124.3625 0.2000 1 484 52 52 ASN H H 8.0305 0.0200 1 485 52 52 ASN HA H 4.4716 0.0200 1 486 52 52 ASN HB3 H 2.9338 0.0200 2 487 52 52 ASN HD21 H 6.6721 0.0200 2 488 52 52 ASN HD22 H 7.4962 0.0200 2 489 52 52 ASN C C 178.2940 0.2000 1 490 52 52 ASN CA C 56.2594 0.2000 1 491 52 52 ASN CB C 38.1012 0.2000 1 492 52 52 ASN N N 118.0092 0.2000 1 493 52 52 ASN ND2 N 110.6839 0.2000 1 494 53 53 ALA H H 7.9567 0.0200 1 495 53 53 ALA HA H 4.2195 0.0200 1 496 53 53 ALA HB H 1.6033 0.0200 1 497 53 53 ALA C C 180.1390 0.2000 1 498 53 53 ALA CA C 55.4610 0.2000 1 499 53 53 ALA CB C 17.6898 0.2000 1 500 53 53 ALA N N 124.8932 0.2000 1 501 54 54 LEU H H 8.8542 0.0200 1 502 54 54 LEU HA H 4.1340 0.0200 1 503 54 54 LEU HB2 H 2.0342 0.0200 2 504 54 54 LEU C C 178.8590 0.2000 1 505 54 54 LEU CA C 58.9040 0.2000 1 506 54 54 LEU CB C 41.7171 0.2000 1 507 54 54 LEU N N 124.1696 0.2000 1 508 55 55 ALA H H 8.5132 0.0200 1 509 55 55 ALA HA H 3.8412 0.0200 1 510 55 55 ALA HB H 1.5711 0.0200 1 511 55 55 ALA C C 180.1820 0.2000 1 512 55 55 ALA CA C 55.4876 0.2000 1 513 55 55 ALA CB C 17.6770 0.2000 1 514 55 55 ALA N N 120.9615 0.2000 1 515 56 56 SER H H 8.2758 0.0200 1 516 56 56 SER HA H 4.6443 0.0200 1 517 56 56 SER HB2 H 4.0710 0.0200 2 518 56 56 SER C C 177.8829 0.2000 1 519 56 56 SER CA C 61.7220 0.2000 1 520 56 56 SER CB C 62.6790 0.2000 1 521 56 56 SER N N 114.2202 0.2000 1 522 57 57 SER H H 8.7045 0.0200 1 523 57 57 SER HA H 4.2550 0.0200 1 524 57 57 SER HB2 H 3.9096 0.0200 2 525 57 57 SER C C 177.4773 0.2000 1 526 57 57 SER CA C 62.6920 0.2000 1 527 57 57 SER N N 120.7486 0.2000 1 528 58 58 LEU H H 8.3097 0.0200 1 529 58 58 LEU HA H 4.0440 0.0200 1 530 58 58 LEU HB2 H 2.0059 0.0200 2 531 58 58 LEU HG H 1.2838 0.0200 1 532 58 58 LEU HD1 H 0.6993 0.0200 2 533 58 58 LEU C C 178.0994 0.2000 1 534 58 58 LEU CA C 57.6420 0.2000 1 535 58 58 LEU CB C 40.1657 0.2000 1 536 58 58 LEU CD1 C 26.5118 0.2000 2 537 58 58 LEU CG C 40.1774 0.2000 1 538 58 58 LEU N N 121.7068 0.2000 1 539 59 59 GLN H H 8.0106 0.0200 1 540 59 59 GLN HA H 3.9180 0.0200 1 541 59 59 GLN HB2 H 2.2594 0.0200 2 542 59 59 GLN HG2 H 2.5037 0.0200 2 543 59 59 GLN HE21 H 6.8418 0.0200 2 544 59 59 GLN HE22 H 7.4605 0.0200 2 545 59 59 GLN C C 178.6339 0.2000 1 546 59 59 GLN CA C 58.7390 0.2000 1 547 59 59 GLN CB C 28.2523 0.2000 1 548 59 59 GLN CG C 33.7611 0.2000 1 549 59 59 GLN N N 119.4735 0.2000 1 550 59 59 GLN NE2 N 112.0178 0.2000 1 551 60 60 LYS H H 7.8644 0.0200 1 552 60 60 LYS HA H 4.0320 0.0200 1 553 60 60 LYS HB2 H 1.9771 0.0200 2 554 60 60 LYS HG2 H 1.5042 0.0200 2 555 60 60 LYS HD2 H 1.7457 0.0200 2 556 60 60 LYS C C 178.8963 0.2000 1 557 60 60 LYS CA C 59.2350 0.2000 1 558 60 60 LYS CB C 32.2156 0.2000 1 559 60 60 LYS CG C 25.3240 0.2000 1 560 60 60 LYS CD C 29.2464 0.2000 1 561 60 60 LYS N N 119.3905 0.2000 1 562 61 61 ALA H H 7.5563 0.0200 1 563 61 61 ALA HA H 4.2243 0.0200 1 564 61 61 ALA HB H 1.3737 0.0200 1 565 61 61 ALA C C 178.3515 0.2000 1 566 61 61 ALA CA C 53.8045 0.2000 1 567 61 61 ALA CB C 17.7813 0.2000 1 568 61 61 ALA N N 120.7787 0.2000 1 569 62 62 LEU H H 7.6456 0.0200 1 570 62 62 LEU HA H 3.8235 0.0200 1 571 62 62 LEU HB2 H 1.8921 0.0200 2 572 62 62 LEU HG H 1.6351 0.0200 1 573 62 62 LEU HD1 H 0.9304 0.0200 2 574 62 62 LEU HD2 H 0.9515 0.0200 2 575 62 62 LEU C C 178.6518 0.2000 1 576 62 62 LEU CA C 58.0614 0.2000 1 577 62 62 LEU CB C 42.3240 0.2000 1 578 62 62 LEU CD1 C 26.0924 0.2000 2 579 62 62 LEU N N 117.5930 0.2000 1 580 63 63 ASN H H 7.5393 0.0200 1 581 63 63 ASN HA H 4.4714 0.0200 1 582 63 63 ASN HB2 H 2.8651 0.0200 2 583 63 63 ASN HD21 H 7.0051 0.0200 2 584 63 63 ASN HD22 H 7.7125 0.0200 2 585 63 63 ASN C C 175.8510 0.2000 1 586 63 63 ASN CA C 55.5897 0.2000 1 587 63 63 ASN CB C 38.7223 0.2000 1 588 63 63 ASN N N 114.8339 0.2000 1 589 63 63 ASN ND2 N 113.5716 0.2000 1 590 64 64 ASP H H 7.6958 0.0200 1 591 64 64 ASP HA H 4.9175 0.0200 1 592 64 64 ASP HB2 H 2.9170 0.0200 2 593 64 64 ASP HB3 H 2.4962 0.0200 2 594 64 64 ASP C C 173.9629 0.2000 1 595 64 64 ASP CA C 54.1066 0.2000 1 596 64 64 ASP CB C 42.5938 0.2000 1 597 64 64 ASP N N 117.2668 0.2000 1 598 65 65 ALA H H 7.3979 0.0200 1 599 65 65 ALA HA H 4.7629 0.0200 1 600 65 65 ALA HB H 1.2751 0.0200 1 601 65 65 ALA C C 175.0119 0.2000 1 602 65 65 ALA CA C 50.9045 0.2000 1 603 65 65 ALA CB C 22.2883 0.2000 1 604 65 65 ALA N N 121.5572 0.2000 1 605 66 66 ASN H H 8.6044 0.0200 1 606 66 66 ASN HA H 4.9710 0.0200 1 607 66 66 ASN HB2 H 2.8358 0.0200 2 608 66 66 ASN HB3 H 2.8410 0.0200 2 609 66 66 ASN HD21 H 6.9818 0.0200 2 610 66 66 ASN HD22 H 7.6645 0.0200 2 611 66 66 ASN C C 175.8483 0.2000 1 612 66 66 ASN CA C 51.9898 0.2000 1 613 66 66 ASN CB C 42.2997 0.2000 1 614 66 66 ASN N N 116.7730 0.2000 1 615 66 66 ASN ND2 N 114.4696 0.2000 1 616 67 67 GLY H H 8.8524 0.0200 1 617 67 67 GLY HA2 H 3.8720 0.0200 2 618 67 67 GLY HA3 H 3.9672 0.0200 2 619 67 67 GLY C C 176.2694 0.2000 1 620 67 67 GLY CA C 46.9735 0.2000 1 621 67 67 GLY N N 108.3950 0.2000 1 622 68 68 LYS H H 9.1394 0.0200 1 623 68 68 LYS HA H 4.0990 0.0200 1 624 68 68 LYS HB2 H 1.7968 0.0200 2 625 68 68 LYS HG2 H 1.1061 0.0200 2 626 68 68 LYS HE2 H 3.0726 0.0200 2 627 68 68 LYS C C 179.4086 0.2000 1 628 68 68 LYS CA C 58.6130 0.2000 1 629 68 68 LYS CB C 32.1462 0.2000 1 630 68 68 LYS CG C 25.1865 0.2000 1 631 68 68 LYS N N 126.0760 0.2000 1 632 69 69 ALA H H 8.4865 0.0200 1 633 69 69 ALA HA H 3.9690 0.0200 1 634 69 69 ALA HB H 1.5433 0.0200 1 635 69 69 ALA C C 178.3207 0.2000 1 636 69 69 ALA CA C 55.2447 0.2000 1 637 69 69 ALA CB C 18.5269 0.2000 1 638 69 69 ALA N N 121.2774 0.2000 1 639 70 70 LYS H H 7.1200 0.0200 1 640 70 70 LYS HA H 3.6820 0.0200 1 641 70 70 LYS HB2 H 1.3784 0.0200 2 642 70 70 LYS HG2 H 1.3964 0.0200 2 643 70 70 LYS HE2 H 2.9916 0.0200 2 644 70 70 LYS C C 177.5536 0.2000 1 645 70 70 LYS CA C 59.8650 0.2000 1 646 70 70 LYS CB C 32.3042 0.2000 1 647 70 70 LYS CG C 25.2850 0.2000 1 648 70 70 LYS CE C 42.3692 0.2000 1 649 70 70 LYS N N 118.0599 0.2000 1 650 71 71 GLU H H 7.5287 0.0200 1 651 71 71 GLU HA H 4.0280 0.0200 1 652 71 71 GLU HB2 H 2.1622 0.0200 2 653 71 71 GLU C C 178.9424 0.2000 1 654 71 71 GLU CA C 59.2070 0.2000 1 655 71 71 GLU CB C 29.7431 0.2000 1 656 71 71 GLU CG C 36.3499 0.2000 1 657 71 71 GLU N N 117.5045 0.2000 1 658 72 72 ALA H H 7.9056 0.0200 1 659 72 72 ALA HA H 4.1912 0.0200 1 660 72 72 ALA HB H 1.4803 0.0200 1 661 72 72 ALA C C 180.3902 0.2000 1 662 72 72 ALA CA C 55.0219 0.2000 1 663 72 72 ALA CB C 18.1980 0.2000 1 664 72 72 ALA N N 121.1663 0.2000 1 665 73 73 LEU H H 8.0384 0.0200 1 666 73 73 LEU HA H 3.8496 0.0200 1 667 73 73 LEU HB2 H 2.0713 0.0200 2 668 73 73 LEU HB3 H 1.3300 0.0200 2 669 73 73 LEU HD1 H 0.9349 0.0200 2 670 73 73 LEU HG H 0.8072 0.0200 1 671 73 73 LEU C C 178.6854 0.2000 1 672 73 73 LEU CA C 58.9123 0.2000 1 673 73 73 LEU CB C 43.1934 0.2000 1 674 73 73 LEU N N 120.2804 0.2000 1 675 74 74 GLU H H 8.1962 0.0200 1 676 74 74 GLU HA H 4.1800 0.0200 1 677 74 74 GLU C C 179.3117 0.2000 1 678 74 74 GLU CA C 59.2728 0.2000 1 679 74 74 GLU CB C 29.5881 0.2000 1 680 74 74 GLU CG C 36.2290 0.2000 1 681 74 74 GLU N N 119.5128 0.2000 1 682 75 75 GLN H H 8.1583 0.0200 1 683 75 75 GLN HA H 4.0590 0.0200 1 684 75 75 GLN HB2 H 2.2324 0.0200 2 685 75 75 GLN HG2 H 2.4484 0.0200 2 686 75 75 GLN HE21 H 6.8865 0.0200 2 687 75 75 GLN HE22 H 7.4826 0.0200 2 688 75 75 GLN C C 178.6242 0.2000 1 689 75 75 GLN CA C 58.9140 0.2000 1 690 75 75 GLN CB C 28.5484 0.2000 1 691 75 75 GLN CG C 34.0956 0.2000 1 692 75 75 GLN N N 120.0072 0.2000 1 693 75 75 GLN NE2 N 112.5781 0.2000 1 694 76 76 THR H H 8.4705 0.0200 1 695 76 76 THR HA H 4.0761 0.0200 1 696 76 76 THR HB H 4.0803 0.0200 1 697 76 76 THR HG2 H 1.1910 0.0200 1 698 76 76 THR C C 176.0649 0.2000 1 699 76 76 THR CA C 67.9208 0.2000 1 700 76 76 THR CG2 C 22.6036 0.2000 1 701 76 76 THR N N 117.2168 0.2000 1 702 77 77 ARG H H 8.5121 0.0200 1 703 77 77 ARG HA H 3.7280 0.0200 1 704 77 77 ARG HB2 H 1.9406 0.0200 2 705 77 77 ARG C C 178.1206 0.2000 1 706 77 77 ARG CA C 61.2720 0.2000 1 707 77 77 ARG CB C 29.3602 0.2000 1 708 77 77 ARG CG C 27.9421 0.2000 1 709 77 77 ARG N N 121.3756 0.2000 1 710 78 78 THR H H 8.0940 0.0200 1 711 78 78 THR HA H 3.9883 0.0200 1 712 78 78 THR HB H 4.2915 0.0200 1 713 78 78 THR HG2 H 1.2260 0.0200 1 714 78 78 THR C C 176.6733 0.2000 1 715 78 78 THR CA C 66.7098 0.2000 1 716 78 78 THR CB C 68.7703 0.2000 1 717 78 78 THR CG2 C 21.6373 0.2000 1 718 78 78 THR N N 115.6499 0.2000 1 719 79 79 ASN H H 8.1939 0.0200 1 720 79 79 ASN HA H 4.4750 0.0200 1 721 79 79 ASN HB2 H 2.9480 0.0200 2 722 79 79 ASN HD21 H 6.7658 0.0200 2 723 79 79 ASN HD22 H 8.1176 0.0200 2 724 79 79 ASN C C 179.0488 0.2000 1 725 79 79 ASN CA C 56.1010 0.2000 1 726 79 79 ASN CB C 36.7800 0.2000 1 727 79 79 ASN N N 122.3242 0.2000 1 728 79 79 ASN ND2 N 111.9559 0.2000 1 729 80 80 LEU H H 8.8928 0.0200 1 730 80 80 LEU HA H 4.1090 0.0200 1 731 80 80 LEU HB2 H 2.0235 0.0200 2 732 80 80 LEU HG H 0.7657 0.0200 1 733 80 80 LEU HD1 H 0.5536 0.0200 2 734 80 80 LEU C C 179.1778 0.2000 1 735 80 80 LEU CA C 58.0430 0.2000 1 736 80 80 LEU CB C 41.6313 0.2000 1 737 80 80 LEU CG C 23.8522 0.2000 1 738 80 80 LEU CD1 C 26.5578 0.2000 2 739 80 80 LEU N N 122.4263 0.2000 1 740 81 81 GLU H H 8.2283 0.0200 1 741 81 81 GLU HA H 4.1300 0.0200 1 742 81 81 GLU HB2 H 2.2545 0.0200 2 743 81 81 GLU HG2 H 2.4925 0.0200 2 744 81 81 GLU C C 179.5355 0.2000 1 745 81 81 GLU CA C 59.5840 0.2000 1 746 81 81 GLU CB C 29.0660 0.2000 1 747 81 81 GLU CG C 36.4037 0.2000 1 748 81 81 GLU N N 120.0597 0.2000 1 749 82 82 ARG H H 7.8721 0.0200 1 750 82 82 ARG HA H 4.1530 0.0200 1 751 82 82 ARG HB2 H 2.0115 0.0200 2 752 82 82 ARG HG2 H 1.7792 0.0200 2 753 82 82 ARG HD2 H 3.2587 0.0200 2 754 82 82 ARG C C 179.1139 0.2000 1 755 82 82 ARG CA C 59.4780 0.2000 1 756 82 82 ARG CB C 29.7000 0.2000 1 757 82 82 ARG CG C 27.5154 0.2000 1 758 82 82 ARG CD C 43.3697 0.2000 1 759 82 82 ARG N N 120.3197 0.2000 1 760 83 83 THR H H 7.9991 0.0200 1 761 83 83 THR HA H 3.9040 0.0200 1 762 83 83 THR HB H 4.3649 0.0200 1 763 83 83 THR HG2 H 1.2066 0.0200 1 764 83 83 THR C C 176.3697 0.2000 1 765 83 83 THR CA C 67.0870 0.2000 1 766 83 83 THR CB C 68.6149 0.2000 1 767 83 83 THR N N 118.9393 0.2000 1 768 84 84 ALA H H 8.4254 0.0200 1 769 84 84 ALA HA H 3.8839 0.0200 1 770 84 84 ALA HB H 1.5200 0.0200 1 771 84 84 ALA C C 178.8834 0.2000 1 772 84 84 ALA CA C 55.3722 0.2000 1 773 84 84 ALA CB C 18.0570 0.2000 1 774 84 84 ALA N N 123.9382 0.2000 1 775 85 85 GLU H H 8.0676 0.0200 1 776 85 85 GLU HA H 4.0050 0.0200 1 777 85 85 GLU HB2 H 2.1777 0.0200 2 778 85 85 GLU HG2 H 2.3766 0.0200 2 779 85 85 GLU C C 178.9027 0.2000 1 780 85 85 GLU CA C 59.2510 0.2000 1 781 85 85 GLU CB C 29.2679 0.2000 1 782 85 85 GLU CG C 35.8565 0.2000 1 783 85 85 GLU N N 117.7775 0.2000 1 784 86 86 GLU H H 7.8392 0.0200 1 785 86 86 GLU HA H 4.0540 0.0200 1 786 86 86 GLU HB2 H 2.3660 0.0200 2 787 86 86 GLU HG2 H 2.8411 0.0200 2 788 86 86 GLU C C 179.0246 0.2000 1 789 86 86 GLU CA C 58.9330 0.2000 1 790 86 86 GLU CB C 29.3612 0.2000 1 791 86 86 GLU CG C 36.1464 0.2000 1 792 86 86 GLU N N 117.9407 0.2000 1 793 87 87 LEU H H 7.6958 0.0200 1 794 87 87 LEU HA H 4.2661 0.0200 1 795 87 87 LEU HB2 H 1.7574 0.0200 2 796 87 87 LEU C C 178.1998 0.2000 1 797 87 87 LEU CA C 57.0512 0.2000 1 798 87 87 LEU CB C 42.3135 0.2000 1 799 87 87 LEU CG C 29.8541 0.2000 1 800 87 87 LEU N N 118.8300 0.2000 1 801 88 88 ARG H H 8.0893 0.0200 1 802 88 88 ARG HA H 4.0910 0.0200 1 803 88 88 ARG HB2 H 1.9721 0.0200 2 804 88 88 ARG HG2 H 1.7565 0.0200 2 805 88 88 ARG HD3 H 3.2135 0.0200 2 806 88 88 ARG C C 177.2247 0.2000 1 807 88 88 ARG CA C 57.9460 0.2000 1 808 88 88 ARG CB C 31.3106 0.2000 1 809 88 88 ARG CG C 28.1260 0.2000 1 810 88 88 ARG CD C 43.6181 0.2000 1 811 88 88 ARG N N 118.3250 0.2000 1 812 89 89 ARG H H 7.5752 0.0200 1 813 89 89 ARG HA H 4.1340 0.0200 1 814 89 89 ARG HB2 H 1.7027 0.0200 2 815 89 89 ARG HG3 H 1.8027 0.0200 2 816 89 89 ARG HD3 H 3.1328 0.0200 2 817 89 89 ARG C C 175.6838 0.2000 1 818 89 89 ARG CA C 56.8540 0.2000 1 819 89 89 ARG CB C 30.6215 0.2000 1 820 89 89 ARG CG C 27.2528 0.2000 1 821 89 89 ARG CD C 43.5162 0.2000 1 822 89 89 ARG N N 118.7304 0.2000 1 823 90 90 ALA H H 7.9845 0.0200 1 824 90 90 ALA HA H 4.2612 0.0200 1 825 90 90 ALA HB H 1.3550 0.0200 1 826 90 90 ALA C C 177.1961 0.2000 1 827 90 90 ALA CA C 52.4403 0.2000 1 828 90 90 ALA CB C 19.0968 0.2000 1 829 90 90 ALA N N 124.4040 0.2000 1 830 91 91 HIS H H 8.4799 0.0200 1 831 91 91 HIS HA H 4.7552 0.0200 1 832 91 91 HIS HB2 H 3.0798 0.0200 2 833 91 91 HIS HB3 H 3.2081 0.0200 2 834 91 91 HIS HD2 H 7.2730 0.0200 1 835 91 91 HIS HE1 H 8.4190 0.0200 1 836 91 91 HIS C C 173.0426 0.2000 1 837 91 91 HIS CA C 53.9458 0.2000 1 838 91 91 HIS CB C 29.6394 0.2000 1 839 91 91 HIS CD2 C 120.2409 0.2000 1 840 91 91 HIS CE1 C 137.0201 0.2000 1 841 91 91 HIS N N 119.3424 0.2000 1 842 92 92 PRO HA H 4.4391 0.0200 1 843 92 92 PRO HB2 H 2.3224 0.0200 2 844 92 92 PRO HG2 H 1.9684 0.0200 2 845 92 92 PRO HD2 H 3.5991 0.0200 2 846 92 92 PRO C C 176.6990 0.2000 1 847 92 92 PRO CA C 63.7596 0.2000 1 848 92 92 PRO CB C 32.1585 0.2000 1 849 92 92 PRO CG C 27.3654 0.2000 1 850 92 92 PRO CD C 50.5478 0.2000 1 851 93 93 ASP H H 8.7103 0.0200 1 852 93 93 ASP HA H 4.5409 0.0200 1 853 93 93 ASP HB3 H 2.7201 0.0200 2 854 93 93 ASP C C 176.9894 0.2000 1 855 93 93 ASP CA C 55.1614 0.2000 1 856 93 93 ASP CB C 40.7823 0.2000 1 857 93 93 ASP N N 119.6817 0.2000 1 858 94 94 VAL H H 7.9149 0.0200 1 859 94 94 VAL HA H 4.0988 0.0200 1 860 94 94 VAL HB H 2.2177 0.0200 1 861 94 94 VAL HG1 H 0.9540 0.0200 2 862 94 94 VAL C C 176.3843 0.2000 1 863 94 94 VAL CA C 62.8793 0.2000 1 864 94 94 VAL CB C 32.5562 0.2000 1 865 94 94 VAL CG1 C 20.5359 0.2000 2 866 94 94 VAL N N 118.1185 0.2000 1 867 95 95 GLU H H 8.2080 0.0200 1 868 95 95 GLU HA H 4.2235 0.0200 1 869 95 95 GLU HB3 H 2.0862 0.0200 2 870 95 95 GLU HG2 H 2.7151 0.0200 2 871 95 95 GLU C C 176.7809 0.2000 1 872 95 95 GLU CA C 57.4319 0.2000 1 873 95 95 GLU CB C 30.0472 0.2000 1 874 95 95 GLU CG C 36.6177 0.2000 1 875 95 95 GLU N N 120.8640 0.2000 1 876 96 96 ARG H H 8.1043 0.0200 1 877 96 96 ARG HA H 4.4080 0.0200 1 878 96 96 ARG HB2 H 1.9768 0.0200 2 879 96 96 ARG HG2 H 1.7097 0.0200 2 880 96 96 ARG HD3 H 3.2372 0.0200 2 881 96 96 ARG C C 176.2062 0.2000 1 882 96 96 ARG CA C 56.0208 0.2000 1 883 96 96 ARG CB C 30.4278 0.2000 1 884 96 96 ARG CG C 27.5793 0.2000 1 885 96 96 ARG CD C 43.4463 0.2000 1 886 96 96 ARG N N 119.0202 0.2000 1 887 97 97 GLN H H 8.0767 0.0200 1 888 97 97 GLN HA H 4.4040 0.0200 1 889 97 97 GLN HB2 H 2.1720 0.0200 2 890 97 97 GLN HG2 H 2.3914 0.0200 2 891 97 97 GLN HE21 H 6.9088 0.0200 2 892 97 97 GLN HE22 H 7.5537 0.0200 2 893 97 97 GLN C C 176.3709 0.2000 1 894 97 97 GLN CA C 56.1320 0.2000 1 895 97 97 GLN CB C 29.3980 0.2000 1 896 97 97 GLN CG C 33.9592 0.2000 1 897 97 97 GLN N N 120.2353 0.2000 1 898 97 97 GLN NE2 N 111.9899 0.2000 1 899 98 98 ALA H H 8.7803 0.0200 1 900 98 98 ALA HA H 4.0518 0.0200 1 901 98 98 ALA HB H 1.4940 0.0200 1 902 98 98 ALA C C 179.6317 0.2000 1 903 98 98 ALA CA C 55.1933 0.2000 1 904 98 98 ALA CB C 18.3960 0.2000 1 905 98 98 ALA N N 125.2043 0.2000 1 906 99 99 GLY H H 8.6712 0.0200 1 907 99 99 GLY HA3 H 3.8990 0.0200 2 908 99 99 GLY C C 175.4479 0.2000 1 909 99 99 GLY CA C 47.0340 0.2000 1 910 99 99 GLY N N 106.2098 0.2000 1 911 100 100 ALA H H 7.6470 0.0200 1 912 100 100 ALA HA H 4.2935 0.0200 1 913 100 100 ALA HB H 1.5280 0.0200 1 914 100 100 ALA C C 180.4625 0.2000 1 915 100 100 ALA CA C 54.6025 0.2000 1 916 100 100 ALA CB C 18.8010 0.2000 1 917 100 100 ALA N N 123.5204 0.2000 1 918 101 101 LEU H H 8.1810 0.0200 1 919 101 101 LEU HA H 4.0410 0.0200 1 920 101 101 LEU HB2 H 1.4347 0.0200 2 921 101 101 LEU HD1 H 0.8499 0.0200 2 922 101 101 LEU C C 179.2250 0.2000 1 923 101 101 LEU CA C 57.9920 0.2000 1 924 101 101 LEU CB C 42.5452 0.2000 1 925 101 101 LEU N N 119.0593 0.2000 1 926 102 102 ARG H H 8.4567 0.0200 1 927 102 102 ARG HA H 3.8211 0.0200 1 928 102 102 ARG HB2 H 2.0521 0.0200 2 929 102 102 ARG C C 177.8021 0.2000 1 930 102 102 ARG CA C 60.3453 0.2000 1 931 102 102 ARG CB C 29.4618 0.2000 1 932 102 102 ARG CG C 27.6490 0.2000 1 933 102 102 ARG N N 120.3701 0.2000 1 934 103 103 ASP H H 8.1816 0.0200 1 935 103 103 ASP HA H 4.5156 0.0200 1 936 103 103 ASP HB2 H 2.8063 0.0200 2 937 103 103 ASP C C 177.7896 0.2000 1 938 103 103 ASP CA C 57.5561 0.2000 1 939 103 103 ASP CB C 40.6030 0.2000 1 940 103 103 ASP N N 119.0725 0.2000 1 941 104 104 ARG H H 8.1493 0.0200 1 942 104 104 ARG HG2 H 1.6583 0.0200 2 943 104 104 ARG HD2 H 3.1938 0.0200 2 944 104 104 ARG C C 178.7150 0.2000 1 945 104 104 ARG CA C 59.7572 0.2000 1 946 104 104 ARG CB C 30.5566 0.2000 1 947 104 104 ARG CG C 27.9079 0.2000 1 948 104 104 ARG CD C 43.9785 0.2000 1 949 104 104 ARG N N 120.5187 0.2000 1 950 105 105 LEU H H 8.0383 0.0200 1 951 105 105 LEU HA H 4.1420 0.0200 1 952 105 105 LEU HB2 H 1.9440 0.0200 2 953 105 105 LEU HG H 1.7835 0.0200 1 954 105 105 LEU HD2 H 0.9713 0.0200 2 955 105 105 LEU C C 177.7922 0.2000 1 956 105 105 LEU CA C 58.6490 0.2000 1 957 105 105 LEU CB C 42.3600 0.2000 1 958 105 105 LEU CG C 27.6656 0.2000 1 959 105 105 LEU CD1 C 25.8627 0.2000 2 960 105 105 LEU CD2 C 24.6570 0.2000 2 961 105 105 LEU N N 121.2736 0.2000 1 962 106 106 GLN H H 8.6075 0.0200 1 963 106 106 GLN HA H 4.0414 0.0200 1 964 106 106 GLN HB2 H 2.3930 0.0200 2 965 106 106 GLN HG2 H 2.0892 0.0200 2 966 106 106 GLN HE21 H 6.8073 0.0200 2 967 106 106 GLN HE22 H 7.2740 0.0200 2 968 106 106 GLN C C 178.4591 0.2000 1 969 106 106 GLN CA C 60.2860 0.2000 1 970 106 106 GLN CB C 28.8135 0.2000 1 971 106 106 GLN CG C 34.0696 0.2000 1 972 106 106 GLN N N 118.3970 0.2000 1 973 106 106 GLN NE2 N 109.4636 0.2000 1 974 107 107 THR H H 8.6101 0.0200 1 975 107 107 THR HA H 3.9929 0.0200 1 976 107 107 THR HB H 4.2740 0.0200 1 977 107 107 THR HG2 H 1.2752 0.0200 1 978 107 107 THR C C 175.9128 0.2000 1 979 107 107 THR CA C 66.7050 0.2000 1 980 107 107 THR CB C 68.8830 0.2000 1 981 107 107 THR CG2 C 21.5625 0.2000 1 982 107 107 THR N N 115.4018 0.2000 1 983 108 108 ALA H H 8.0769 0.0200 1 984 108 108 ALA HA H 4.1550 0.0200 1 985 108 108 ALA HB H 1.5412 0.0200 1 986 108 108 ALA C C 180.5662 0.2000 1 987 108 108 ALA CA C 55.5140 0.2000 1 988 108 108 ALA CB C 19.4320 0.2000 1 989 108 108 ALA N N 122.4853 0.2000 1 990 109 109 VAL H H 8.2168 0.0200 1 991 109 109 VAL HA H 3.7193 0.0200 1 992 109 109 VAL HB H 2.0384 0.0200 1 993 109 109 VAL HG1 H 0.3690 0.0200 2 994 109 109 VAL HG2 H 0.9779 0.0200 2 995 109 109 VAL C C 177.1542 0.2000 1 996 109 109 VAL CA C 67.7916 0.2000 1 997 109 109 VAL CB C 31.6797 0.2000 1 998 109 109 VAL CG1 C 20.6559 0.2000 2 999 109 109 VAL N N 118.5689 0.2000 1 1000 110 110 GLN H H 8.6144 0.0200 1 1001 110 110 GLN HA H 4.0414 0.0200 1 1002 110 110 GLN HB2 H 2.3114 0.0200 2 1003 110 110 GLN HG2 H 2.5494 0.0200 2 1004 110 110 GLN HE21 H 6.9565 0.0200 2 1005 110 110 GLN HE22 H 7.4401 0.0200 2 1006 110 110 GLN C C 178.3344 0.2000 1 1007 110 110 GLN CA C 60.2340 0.2000 1 1008 110 110 GLN CB C 28.7055 0.2000 1 1009 110 110 GLN CG C 34.2472 0.2000 1 1010 110 110 GLN N N 118.8233 0.2000 1 1011 110 110 GLN NE2 N 110.6223 0.2000 1 1012 111 111 ALA H H 8.8536 0.0200 1 1013 111 111 ALA HA H 4.2000 0.0200 1 1014 111 111 ALA HB H 1.5640 0.0200 1 1015 111 111 ALA C C 180.6782 0.2000 1 1016 111 111 ALA CA C 55.2160 0.2000 1 1017 111 111 ALA CB C 18.6970 0.2000 1 1018 111 111 ALA N N 120.0349 0.2000 1 1019 112 112 THR H H 7.6258 0.0200 1 1020 112 112 THR HA H 3.5604 0.0200 1 1021 112 112 THR HB H 3.9313 0.0200 1 1022 112 112 THR HG2 H 0.0396 0.0200 1 1023 112 112 THR C C 177.4009 0.2000 1 1024 112 112 THR CA C 67.6945 0.2000 1 1025 112 112 THR CB C 68.0104 0.2000 1 1026 112 112 THR CG2 C 20.1169 0.2000 1 1027 112 112 THR N N 115.9236 0.2000 1 1028 113 113 VAL H H 8.4108 0.0200 1 1029 113 113 VAL HA H 3.6582 0.0200 1 1030 113 113 VAL HB H 2.3397 0.0200 1 1031 113 113 VAL HG1 H 1.2767 0.0200 2 1032 113 113 VAL C C 177.8132 0.2000 1 1033 113 113 VAL CA C 67.5584 0.2000 1 1034 113 113 VAL CB C 31.6636 0.2000 1 1035 113 113 VAL CG1 C 23.2342 0.2000 2 1036 113 113 VAL N N 122.9225 0.2000 1 1037 114 114 GLN H H 8.6386 0.0200 1 1038 114 114 GLN HA H 4.1950 0.0200 1 1039 114 114 GLN HB2 H 2.2023 0.0200 2 1040 114 114 GLN HG2 H 2.4500 0.0200 2 1041 114 114 GLN HE21 H 6.8342 0.0200 2 1042 114 114 GLN HE22 H 7.4341 0.0200 2 1043 114 114 GLN C C 179.3378 0.2000 1 1044 114 114 GLN CA C 59.5440 0.2000 1 1045 114 114 GLN CB C 28.5878 0.2000 1 1046 114 114 GLN CG C 34.5182 0.2000 1 1047 114 114 GLN N N 119.7303 0.2000 1 1048 114 114 GLN NE2 N 110.7670 0.2000 1 1049 115 115 GLU H H 8.4551 0.0200 1 1050 115 115 GLU HA H 4.0860 0.0200 1 1051 115 115 GLU HB2 H 2.2062 0.0200 2 1052 115 115 GLU HG3 H 2.5620 0.0200 2 1053 115 115 GLU C C 179.6786 0.2000 1 1054 115 115 GLU CA C 59.0670 0.2000 1 1055 115 115 GLU CB C 29.2751 0.2000 1 1056 115 115 GLU CG C 36.3772 0.2000 1 1057 115 115 GLU N N 119.1587 0.2000 1 1058 116 116 THR H H 8.2906 0.0200 1 1059 116 116 THR HA H 3.8972 0.0200 1 1060 116 116 THR HG2 H 1.2070 0.0200 1 1061 116 116 THR C C 175.8494 0.2000 1 1062 116 116 THR CA C 67.5107 0.2000 1 1063 116 116 THR CG2 C 22.5463 0.2000 1 1064 116 116 THR N N 115.0206 0.2000 1 1065 117 117 GLN H H 8.4533 0.0200 1 1066 117 117 GLN HA H 3.6549 0.0200 1 1067 117 117 GLN HB2 H 2.3214 0.0200 2 1068 117 117 GLN HG2 H 2.1263 0.0200 2 1069 117 117 GLN HE21 H 6.8698 0.0200 2 1070 117 117 GLN HE22 H 7.4330 0.0200 2 1071 117 117 GLN C C 177.6233 0.2000 1 1072 117 117 GLN CA C 60.0390 0.2000 1 1073 117 117 GLN CB C 28.8155 0.2000 1 1074 117 117 GLN CG C 34.4069 0.2000 1 1075 117 117 GLN N N 123.3528 0.2000 1 1076 117 117 GLN NE2 N 110.0374 0.2000 1 1077 118 118 LYS H H 7.7991 0.0200 1 1078 118 118 LYS HA H 4.0000 0.0200 1 1079 118 118 LYS HB2 H 1.9304 0.0200 2 1080 118 118 LYS HG2 H 1.5099 0.0200 2 1081 118 118 LYS C C 179.3466 0.2000 1 1082 118 118 LYS CA C 59.5880 0.2000 1 1083 118 118 LYS CB C 32.2874 0.2000 1 1084 118 118 LYS CG C 25.0352 0.2000 1 1085 118 118 LYS N N 119.7609 0.2000 1 1086 119 119 LEU H H 8.0464 0.0200 1 1087 119 119 LEU HA H 4.0530 0.0200 1 1088 119 119 LEU HB2 H 2.0737 0.0200 2 1089 119 119 LEU C C 177.9637 0.2000 1 1090 119 119 LEU CA C 57.9510 0.2000 1 1091 119 119 LEU CB C 40.5714 0.2000 1 1092 119 119 LEU CG C 27.3229 0.2000 1 1093 119 119 LEU CD2 C 23.3779 0.2000 2 1094 119 119 LEU N N 121.6739 0.2000 1 1095 120 120 ALA H H 8.4567 0.0200 1 1096 120 120 ALA HA H 3.8412 0.0200 1 1097 120 120 ALA HB H 1.5780 0.0200 1 1098 120 120 ALA C C 179.7747 0.2000 1 1099 120 120 ALA CA C 55.4876 0.2000 1 1100 120 120 ALA CB C 19.3720 0.2000 1 1101 120 120 ALA N N 120.3792 0.2000 1 1102 121 121 LYS H H 7.9314 0.0200 1 1103 121 121 LYS HA H 3.9880 0.0200 1 1104 121 121 LYS HB2 H 1.9216 0.0200 2 1105 121 121 LYS HG2 H 1.5094 0.0200 2 1106 121 121 LYS C C 179.3071 0.2000 1 1107 121 121 LYS CA C 59.3970 0.2000 1 1108 121 121 LYS CB C 32.5308 0.2000 1 1109 121 121 LYS CG C 24.8462 0.2000 1 1110 121 121 LYS CD C 29.4059 0.2000 1 1111 121 121 LYS N N 118.6328 0.2000 1 1112 122 122 THR H H 8.1752 0.0200 1 1113 122 122 THR HA H 3.9524 0.0200 1 1114 122 122 THR HB H 4.1827 0.0200 1 1115 122 122 THR HG2 H 1.1862 0.0200 1 1116 122 122 THR C C 177.2837 0.2000 1 1117 122 122 THR CA C 66.5810 0.2000 1 1118 122 122 THR CB C 68.5108 0.2000 1 1119 122 122 THR N N 116.6031 0.2000 1 1120 123 123 VAL H H 9.0195 0.0200 1 1121 123 123 VAL HA H 3.5427 0.0200 1 1122 123 123 VAL HB H 2.0164 0.0200 1 1123 123 123 VAL HG1 H 0.8730 0.0200 2 1124 123 123 VAL C C 177.8306 0.2000 1 1125 123 123 VAL CA C 66.6925 0.2000 1 1126 123 123 VAL CB C 31.4547 0.2000 1 1127 123 123 VAL CG1 C 23.6841 0.2000 2 1128 123 123 VAL CG2 C 22.2649 0.2000 2 1129 123 123 VAL N N 121.2384 0.2000 1 1130 124 124 GLY H H 8.1575 0.0200 1 1131 124 124 GLY HA2 H 3.8382 0.0200 2 1132 124 124 GLY HA3 H 3.9523 0.0200 2 1133 124 124 GLY C C 174.6454 0.2000 1 1134 124 124 GLY CA C 47.0056 0.2000 1 1135 124 124 GLY N N 105.8575 0.2000 1 1136 125 125 ALA H H 7.2508 0.0200 1 1137 125 125 ALA HA H 4.3989 0.0200 1 1138 125 125 ALA HB H 1.5010 0.0200 1 1139 125 125 ALA C C 177.5520 0.2000 1 1140 125 125 ALA CA C 53.0190 0.2000 1 1141 125 125 ALA CB C 19.1100 0.2000 1 1142 125 125 ALA N N 120.9142 0.2000 1 1143 126 126 ASN H H 7.7374 0.0200 1 1144 126 126 ASN HA H 4.9725 0.0200 1 1145 126 126 ASN HB2 H 2.9992 0.0200 2 1146 126 126 ASN HB3 H 2.4521 0.0200 2 1147 126 126 ASN HD21 H 7.2284 0.0200 2 1148 126 126 ASN HD22 H 7.8052 0.0200 2 1149 126 126 ASN C C 174.6078 0.2000 1 1150 126 126 ASN CA C 53.0796 0.2000 1 1151 126 126 ASN CB C 40.5202 0.2000 1 1152 126 126 ASN N N 117.1305 0.2000 1 1153 126 126 ASN ND2 N 114.8930 0.2000 1 1154 127 127 LEU H H 7.8560 0.0200 1 1155 127 127 LEU HA H 4.2785 0.0200 1 1156 127 127 LEU HB2 H 1.7440 0.0200 2 1157 127 127 LEU HD1 H 0.9306 0.0200 2 1158 127 127 LEU C C 177.6119 0.2000 1 1159 127 127 LEU CA C 56.0810 0.2000 1 1160 127 127 LEU CB C 42.4550 0.2000 1 1161 127 127 LEU CG C 26.5170 0.2000 1 1162 127 127 LEU CD1 C 24.9999 0.2000 2 1163 127 127 LEU N N 122.4502 0.2000 1 1164 128 128 GLU H H 8.9441 0.0200 1 1165 128 128 GLU HA H 4.3790 0.0200 1 1166 128 128 GLU HB2 H 2.1438 0.0200 2 1167 128 128 GLU HG2 H 2.3497 0.0200 2 1168 128 128 GLU C C 177.6334 0.2000 1 1169 128 128 GLU CA C 57.2310 0.2000 1 1170 128 128 GLU CB C 30.0540 0.2000 1 1171 128 128 GLU CG C 36.3856 0.2000 1 1172 128 128 GLU N N 122.7313 0.2000 1 1173 129 129 GLU H H 8.5712 0.0200 1 1174 129 129 GLU HA H 4.2370 0.0200 1 1175 129 129 GLU HB3 H 2.2093 0.0200 2 1176 129 129 GLU HG2 H 2.3538 0.0200 2 1177 129 129 GLU C C 177.1572 0.2000 1 1178 129 129 GLU CA C 58.2900 0.2000 1 1179 129 129 GLU CB C 29.7147 0.2000 1 1180 129 129 GLU CG C 36.2252 0.2000 1 1181 129 129 GLU N N 120.7780 0.2000 1 1182 130 130 THR H H 7.7365 0.0200 1 1183 130 130 THR HA H 4.3938 0.0200 1 1184 130 130 THR HB H 4.3601 0.0200 1 1185 130 130 THR HG2 H 1.2817 0.0200 1 1186 130 130 THR C C 174.7154 0.2000 1 1187 130 130 THR CA C 62.2179 0.2000 1 1188 130 130 THR CB C 69.7393 0.2000 1 1189 130 130 THR CG2 C 22.3070 0.2000 1 1190 130 130 THR N N 108.6754 0.2000 1 1191 131 131 ASN H H 7.9945 0.0200 1 1192 131 131 ASN HA H 4.9298 0.0200 1 1193 131 131 ASN HB3 H 2.9734 0.0200 2 1194 131 131 ASN HD21 H 7.2308 0.0200 2 1195 131 131 ASN HD22 H 7.7272 0.0200 2 1196 131 131 ASN C C 176.7229 0.2000 1 1197 131 131 ASN CA C 53.2347 0.2000 1 1198 131 131 ASN CB C 39.2670 0.2000 1 1199 131 131 ASN N N 119.9651 0.2000 1 1200 131 131 ASN ND2 N 112.7974 0.2000 1 1201 132 132 LYS H H 8.3576 0.0200 1 1202 132 132 LYS HA H 4.2480 0.0200 1 1203 132 132 LYS HB2 H 1.9320 0.0200 2 1204 132 132 LYS HG2 H 1.5496 0.0200 2 1205 132 132 LYS C C 177.9697 0.2000 1 1206 132 132 LYS CA C 58.5010 0.2000 1 1207 132 132 LYS CB C 32.5056 0.2000 1 1208 132 132 LYS CG C 25.0619 0.2000 1 1209 132 132 LYS CD C 29.1499 0.2000 1 1210 132 132 LYS CE C 42.2208 0.2000 1 1211 132 132 LYS N N 122.0637 0.2000 1 1212 133 133 LYS H H 8.2571 0.0200 1 1213 133 133 LYS HA H 4.2990 0.0200 1 1214 133 133 LYS HB2 H 1.8602 0.0200 2 1215 133 133 LYS HG2 H 1.4598 0.0200 2 1216 133 133 LYS HD2 H 1.6910 0.0200 2 1217 133 133 LYS C C 178.4532 0.2000 1 1218 133 133 LYS CA C 57.5240 0.2000 1 1219 133 133 LYS CB C 32.9177 0.2000 1 1220 133 133 LYS CG C 25.1813 0.2000 1 1221 133 133 LYS N N 117.0946 0.2000 1 1222 134 134 LEU H H 7.9317 0.0200 1 1223 134 134 LEU HA H 4.2000 0.0200 1 1224 134 134 LEU HB2 H 1.4705 0.0200 2 1225 134 134 LEU HG H 1.7153 0.0200 1 1226 134 134 LEU HD1 H 0.9481 0.0200 2 1227 134 134 LEU C C 178.0953 0.2000 1 1228 134 134 LEU CA C 58.0180 0.2000 1 1229 134 134 LEU CB C 42.2677 0.2000 1 1230 134 134 LEU CG C 25.1621 0.2000 1 1231 134 134 LEU N N 120.5240 0.2000 1 1232 135 135 ALA H H 8.5809 0.0200 1 1233 135 135 ALA HA H 4.0750 0.0200 1 1234 135 135 ALA HB H 1.5507 0.0200 1 1235 135 135 ALA C C 175.9343 0.2000 1 1236 135 135 ALA CA C 57.5380 0.2000 1 1237 135 135 ALA CB C 16.2019 0.2000 1 1238 135 135 ALA N N 119.7540 0.2000 1 1239 136 136 PRO HA H 4.2970 0.0200 1 1240 136 136 PRO HB2 H 2.3349 0.0200 2 1241 136 136 PRO HD2 H 3.7087 0.0200 2 1242 136 136 PRO HG2 H 1.9828 0.0200 2 1243 136 136 PRO C C 179.3232 0.2000 1 1244 136 136 PRO CA C 65.6421 0.2000 1 1245 136 136 PRO CB C 31.1648 0.2000 1 1246 136 136 PRO CD C 50.4150 0.2000 1 1247 136 136 PRO CG C 28.2436 0.2000 1 1248 137 137 GLN H H 7.1327 0.0200 1 1249 137 137 GLN HA H 4.1440 0.0200 1 1250 137 137 GLN HB2 H 2.2717 0.0200 2 1251 137 137 GLN HE21 H 6.9264 0.0200 2 1252 137 137 GLN HE22 H 7.5326 0.0200 2 1253 137 137 GLN C C 179.1835 0.2000 1 1254 137 137 GLN CA C 59.0700 0.2000 1 1255 137 137 GLN CB C 29.7840 0.2000 1 1256 137 137 GLN CG C 35.2393 0.2000 1 1257 137 137 GLN N N 116.1054 0.2000 1 1258 137 137 GLN NE2 N 110.7799 0.2000 1 1259 138 138 ILE H H 7.8761 0.0200 1 1260 138 138 ILE HA H 3.4634 0.0200 1 1261 138 138 ILE HB H 1.8102 0.0200 1 1262 138 138 ILE HG2 H 0.6572 0.0200 1 1263 138 138 ILE HD1 H 0.7672 0.0200 1 1264 138 138 ILE C C 176.7347 0.2000 1 1265 138 138 ILE CA C 65.2410 0.2000 1 1266 138 138 ILE CB C 38.0062 0.2000 1 1267 138 138 ILE CG2 C 16.3376 0.2000 1 1268 138 138 ILE CD1 C 14.0991 0.2000 1 1269 138 138 ILE N N 119.9116 0.2000 1 1270 139 139 LYS H H 8.0396 0.0200 1 1271 139 139 LYS HA H 4.0020 0.0200 1 1272 139 139 LYS HB3 H 2.1007 0.0200 2 1273 139 139 LYS HG3 H 1.5481 0.0200 2 1274 139 139 LYS C C 177.0204 0.2000 1 1275 139 139 LYS CA C 58.7930 0.2000 1 1276 139 139 LYS CB C 33.2863 0.2000 1 1277 139 139 LYS CG C 24.6442 0.2000 1 1278 139 139 LYS N N 118.3916 0.2000 1 1279 140 140 SER H H 8.3038 0.0200 1 1280 140 140 SER HA H 4.3204 0.0200 1 1281 140 140 SER HB2 H 3.9760 0.0200 2 1282 140 140 SER C C 175.9780 0.2000 1 1283 140 140 SER CA C 61.8225 0.2000 1 1284 140 140 SER CB C 62.7953 0.2000 1 1285 140 140 SER N N 113.1692 0.2000 1 1286 141 141 ALA H H 7.3268 0.0200 1 1287 141 141 ALA HA H 4.3060 0.0200 1 1288 141 141 ALA HB H 1.5490 0.0200 1 1289 141 141 ALA C C 180.6376 0.2000 1 1290 141 141 ALA CA C 54.9730 0.2000 1 1291 141 141 ALA CB C 18.2510 0.2000 1 1292 141 141 ALA N N 122.6817 0.2000 1 1293 142 142 TYR H H 8.3839 0.0200 1 1294 142 142 TYR HA H 3.9829 0.0200 1 1295 142 142 TYR HB2 H 3.2717 0.0200 2 1296 142 142 TYR HB3 H 2.9199 0.0200 2 1297 142 142 TYR HD1 H 7.0399 0.0200 3 1298 142 142 TYR HE1 H 6.5985 0.0200 3 1299 142 142 TYR C C 176.3417 0.2000 1 1300 142 142 TYR CA C 62.0062 0.2000 1 1301 142 142 TYR CB C 39.0074 0.2000 1 1302 142 142 TYR CD1 C 133.0144 0.2000 3 1303 142 142 TYR CE1 C 117.9800 0.2000 3 1304 142 142 TYR N N 120.9992 0.2000 1 1305 143 143 ASP H H 9.0996 0.0200 1 1306 143 143 ASP HA H 4.0042 0.0200 1 1307 143 143 ASP HB2 H 2.5412 0.0200 2 1308 143 143 ASP C C 179.6034 0.2000 1 1309 143 143 ASP CA C 57.1665 0.2000 1 1310 143 143 ASP CB C 39.5569 0.2000 1 1311 143 143 ASP N N 120.9024 0.2000 1 1312 144 144 ASP H H 8.0042 0.0200 1 1313 144 144 ASP HA H 4.4197 0.0200 1 1314 144 144 ASP HB2 H 2.6420 0.0200 2 1315 144 144 ASP C C 178.4200 0.2000 1 1316 144 144 ASP CA C 57.2503 0.2000 1 1317 144 144 ASP CB C 40.0917 0.2000 1 1318 144 144 ASP N N 120.2331 0.2000 1 1319 145 145 PHE H H 7.8259 0.0200 1 1320 145 145 PHE HA H 4.0300 0.0200 1 1321 145 145 PHE HB2 H 3.1980 0.0200 2 1322 145 145 PHE HD1 H 6.8956 0.0200 3 1323 145 145 PHE HE1 H 7.1934 0.0200 3 1324 145 145 PHE HZ H 7.0333 0.0200 1 1325 145 145 PHE C C 177.1427 0.2000 1 1326 145 145 PHE CA C 62.6970 0.2000 1 1327 145 145 PHE CB C 39.0706 0.2000 1 1328 145 145 PHE CD1 C 131.8426 0.2000 3 1329 145 145 PHE CE1 C 131.3422 0.2000 3 1330 145 145 PHE CZ C 129.0123 0.2000 1 1331 145 145 PHE N N 122.3876 0.2000 1 1332 146 146 VAL H H 8.4763 0.0200 1 1333 146 146 VAL HA H 3.0258 0.0200 1 1334 146 146 VAL HB H 1.4598 0.0200 1 1335 146 146 VAL HG1 H 0.2341 0.0200 2 1336 146 146 VAL C C 177.9775 0.2000 1 1337 146 146 VAL CA C 66.3024 0.2000 1 1338 146 146 VAL CB C 31.0117 0.2000 1 1339 146 146 VAL CG1 C 20.9230 0.2000 2 1340 146 146 VAL N N 118.3518 0.2000 1 1341 147 147 LYS H H 8.0062 0.0200 1 1342 147 147 LYS HA H 4.0600 0.0200 1 1343 147 147 LYS HB2 H 1.8755 0.0200 2 1344 147 147 LYS HG2 H 1.4545 0.0200 2 1345 147 147 LYS C C 179.3718 0.2000 1 1346 147 147 LYS CA C 59.6890 0.2000 1 1347 147 147 LYS CB C 32.3326 0.2000 1 1348 147 147 LYS CG C 25.0447 0.2000 1 1349 147 147 LYS N N 120.2980 0.2000 1 1350 148 148 GLN H H 7.2763 0.0200 1 1351 148 148 GLN HA H 4.1630 0.0200 1 1352 148 148 GLN HB2 H 1.9479 0.0200 2 1353 148 148 GLN HG2 H 2.2784 0.0200 2 1354 148 148 GLN HE21 H 6.9266 0.0200 2 1355 148 148 GLN HE22 H 7.2139 0.0200 2 1356 148 148 GLN C C 178.4219 0.2000 1 1357 148 148 GLN CA C 57.7710 0.2000 1 1358 148 148 GLN CB C 28.2932 0.2000 1 1359 148 148 GLN CG C 33.2527 0.2000 1 1360 148 148 GLN N N 117.9967 0.2000 1 1361 148 148 GLN NE2 N 111.8271 0.2000 1 1362 149 149 ALA H H 8.1158 0.0200 1 1363 149 149 ALA HA H 3.7596 0.0200 1 1364 149 149 ALA HB H 1.1543 0.0200 1 1365 149 149 ALA C C 179.5351 0.2000 1 1366 149 149 ALA CA C 55.6911 0.2000 1 1367 149 149 ALA CB C 17.2349 0.2000 1 1368 149 149 ALA N N 122.6857 0.2000 1 1369 150 150 GLN H H 8.7087 0.0200 1 1370 150 150 GLN HA H 4.3877 0.0200 1 1371 150 150 GLN HB2 H 2.1819 0.0200 2 1372 150 150 GLN HG2 H 2.6078 0.0200 2 1373 150 150 GLN HE21 H 6.9978 0.0200 2 1374 150 150 GLN HE22 H 7.3226 0.0200 2 1375 150 150 GLN C C 179.3466 0.2000 1 1376 150 150 GLN CA C 59.1510 0.2000 1 1377 150 150 GLN CB C 28.8139 0.2000 1 1378 150 150 GLN CG C 35.0188 0.2000 1 1379 150 150 GLN N N 117.2548 0.2000 1 1380 150 150 GLN NE2 N 111.1963 0.2000 1 1381 151 151 GLU H H 8.0351 0.0200 1 1382 151 151 GLU HA H 4.1570 0.0200 1 1383 151 151 GLU HG2 H 2.8104 0.0200 2 1384 151 151 GLU CA C 58.6570 0.2000 1 1385 151 151 GLU CB C 28.9199 0.2000 1 1386 151 151 GLU CG C 36.0189 0.2000 1 1387 151 151 GLU N N 121.7280 0.2000 1 1388 152 152 VAL H H 8.1558 0.0200 1 1389 152 152 VAL HA H 3.6626 0.0200 1 1390 152 152 VAL HB H 2.4821 0.0200 1 1391 152 152 VAL HG1 H 0.9682 0.0200 2 1392 152 152 VAL C C 177.7702 0.2000 1 1393 152 152 VAL CA C 67.0056 0.2000 1 1394 152 152 VAL CB C 31.3242 0.2000 1 1395 152 152 VAL CG1 C 21.3402 0.2000 2 1396 152 152 VAL N N 120.7156 0.2000 1 1397 153 153 GLN H H 8.2486 0.0200 1 1398 153 153 GLN HA H 3.8802 0.0200 1 1399 153 153 GLN HB2 H 1.7441 0.0200 2 1400 153 153 GLN HG2 H 2.1296 0.0200 2 1401 153 153 GLN HG3 H 2.3524 0.0200 2 1402 153 153 GLN HE21 H 6.5310 0.0200 2 1403 153 153 GLN HE22 H 7.1702 0.0200 2 1404 153 153 GLN C C 177.9379 0.2000 1 1405 153 153 GLN CA C 60.5976 0.2000 1 1406 153 153 GLN CB C 27.9345 0.2000 1 1407 153 153 GLN CG C 34.2715 0.2000 1 1408 153 153 GLN N N 119.3757 0.2000 1 1409 153 153 GLN NE2 N 109.8600 0.2000 1 1410 154 154 LYS H H 8.0013 0.0200 1 1411 154 154 LYS HA H 4.0898 0.0200 1 1412 154 154 LYS C C 179.3280 0.2000 1 1413 154 154 LYS CA C 59.9589 0.2000 1 1414 154 154 LYS CB C 32.3690 0.2000 1 1415 154 154 LYS N N 120.2142 0.2000 1 1416 155 155 LYS H H 8.0740 0.0200 1 1417 155 155 LYS HA H 4.1320 0.0200 1 1418 155 155 LYS HB2 H 2.0470 0.0200 2 1419 155 155 LYS HG2 H 2.1212 0.0200 2 1420 155 155 LYS HE2 H 3.1675 0.0200 2 1421 155 155 LYS C C 180.5621 0.2000 1 1422 155 155 LYS CA C 59.3850 0.2000 1 1423 155 155 LYS CB C 32.3182 0.2000 1 1424 155 155 LYS CG C 25.4348 0.2000 1 1425 155 155 LYS N N 120.5799 0.2000 1 1426 156 156 LEU H H 8.5460 0.0200 1 1427 156 156 LEU HA H 3.8235 0.0200 1 1428 156 156 LEU HB2 H 1.9370 0.0200 2 1429 156 156 LEU HB3 H 1.0078 0.0200 2 1430 156 156 LEU HG H 1.8472 0.0200 1 1431 156 156 LEU HD1 H 0.2858 0.0200 2 1432 156 156 LEU HD2 H 0.6423 0.0200 2 1433 156 156 LEU C C 178.1232 0.2000 1 1434 156 156 LEU CA C 58.0614 0.2000 1 1435 156 156 LEU CB C 41.2506 0.2000 1 1436 156 156 LEU CD1 C 22.5450 0.2000 2 1437 156 156 LEU CD2 C 25.9699 0.2000 2 1438 156 156 LEU N N 120.3727 0.2000 1 1439 157 157 HIS H H 8.5425 0.0200 1 1440 157 157 HIS HA H 4.2492 0.0200 1 1441 157 157 HIS HB2 H 3.4097 0.0200 2 1442 157 157 HIS HB3 H 3.5019 0.0200 2 1443 157 157 HIS HD2 H 7.3100 0.0200 1 1444 157 157 HIS HE1 H 8.3056 0.0200 1 1445 157 157 HIS C C 178.1184 0.2000 1 1446 157 157 HIS CA C 60.1057 0.2000 1 1447 157 157 HIS CB C 28.9621 0.2000 1 1448 157 157 HIS CD2 C 120.2409 0.2000 1 1449 157 157 HIS CE1 C 137.4610 0.2000 1 1450 157 157 HIS N N 118.0761 0.2000 1 1451 158 158 GLU H H 8.3116 0.0200 1 1452 158 158 GLU HA H 4.0090 0.0200 1 1453 158 158 GLU HB2 H 2.1917 0.0200 2 1454 158 158 GLU HG2 H 2.3821 0.0200 2 1455 158 158 GLU C C 178.8244 0.2000 1 1456 158 158 GLU CA C 59.1770 0.2000 1 1457 158 158 GLU CB C 29.4515 0.2000 1 1458 158 158 GLU CG C 36.3753 0.2000 1 1459 158 158 GLU N N 119.4232 0.2000 1 1460 159 159 ALA H H 7.9423 0.0200 1 1461 159 159 ALA HA H 4.1800 0.0200 1 1462 159 159 ALA HB H 1.4398 0.0200 1 1463 159 159 ALA C C 179.2830 0.2000 1 1464 159 159 ALA CA C 54.3733 0.2000 1 1465 159 159 ALA CB C 19.0398 0.2000 1 1466 159 159 ALA N N 121.0297 0.2000 1 1467 160 160 ALA H H 8.2281 0.0200 1 1468 160 160 ALA HA H 4.0505 0.0200 1 1469 160 160 ALA HB H 1.3610 0.0200 1 1470 160 160 ALA C C 178.2873 0.2000 1 1471 160 160 ALA CA C 53.5655 0.2000 1 1472 160 160 ALA CB C 19.0300 0.2000 1 1473 160 160 ALA N N 120.0350 0.2000 1 1474 161 161 SER H H 7.6864 0.0200 1 1475 161 161 SER HA H 4.3580 0.0200 1 1476 161 161 SER HB2 H 3.9127 0.0200 2 1477 161 161 SER HB3 H 3.8977 0.0200 2 1478 161 161 SER C C 174.3397 0.2000 1 1479 161 161 SER CA C 59.1510 0.2000 1 1480 161 161 SER CB C 63.9507 0.2000 1 1481 161 161 SER N N 112.5891 0.2000 1 1482 162 162 LYS H H 7.5368 0.0200 1 1483 162 162 LYS HA H 4.3271 0.0200 1 1484 162 162 LYS HB2 H 1.8902 0.0200 2 1485 162 162 LYS HG2 H 1.5274 0.0200 2 1486 162 162 LYS HD2 H 1.8223 0.0200 2 1487 162 162 LYS HE2 H 2.9991 0.0200 2 1488 162 162 LYS C C 175.7563 0.2000 1 1489 162 162 LYS CA C 56.4563 0.2000 1 1490 162 162 LYS CB C 32.7806 0.2000 1 1491 162 162 LYS CG C 24.7766 0.2000 1 1492 162 162 LYS CD C 28.9450 0.2000 1 1493 162 162 LYS CE C 39.0388 0.2000 1 1494 162 162 LYS N N 122.3475 0.2000 1 1495 163 163 GLN H H 7.8689 0.0200 1 1496 163 163 GLN HA H 4.1652 0.0200 1 1497 163 163 GLN HB2 H 2.0755 0.0200 2 1498 163 163 GLN HB3 H 1.9704 0.0200 2 1499 163 163 GLN HG2 H 2.1472 0.0200 2 1500 163 163 GLN HG3 H 2.3549 0.0200 2 1501 163 163 GLN HE21 H 6.8778 0.0200 2 1502 163 163 GLN HE22 H 7.5058 0.0200 2 1503 163 163 GLN C C 180.4934 0.2000 1 1504 163 163 GLN CA C 57.4617 0.2000 1 1505 163 163 GLN CB C 30.4624 0.2000 1 1506 163 163 GLN CG C 34.2837 0.2000 1 1507 163 163 GLN N N 126.1069 0.2000 1 1508 163 163 GLN NE2 N 112.3256 0.2000 1 stop_ save_