data_18504 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; pfsub2 solution NMR structure ; _BMRB_accession_number 18504 _BMRB_flat_file_name bmr18504.str _Entry_type original _Submission_date 2012-06-06 _Accession_date 2012-06-06 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 HE Yanan . . 2 CHEN Yihong . . 3 RUAN Biao . . 4 O'BROCHTA David . . 5 BRYAN Philip . . 6 ORBAN John . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 500 "13C chemical shifts" 471 "15N chemical shifts" 118 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2013-02-20 update BMRB 'update entry citation' 2012-10-01 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution NMR structure of a sheddase inhibitor prodomain from the malarial parasite Plasmodium falciparum.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 23011838 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 He Yanan . . 2 Chen Yihong . . 3 Oganesyan Natalia . . 4 Ruan Biao . . 5 Bryan David . . 6 Orban Philip N. . stop_ _Journal_abbreviation Proteins _Journal_name_full Proteins _Journal_volume 80 _Journal_issue 12 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 2810 _Page_last 2817 _Year 2012 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name pfsub2 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label pfsub2 $pfsub2 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_pfsub2 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common pfsub2 _Molecular_mass 10570.397 _Mol_thiol_state 'not available' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 149 _Mol_residue_sequence ; TSNKKILLNVDKLVDQYLLN LKNNHTSKQELILVLKGELD LHSKNMKNVINNAKKNLEKY FKEHFKEFDKISYDISTPIN FLCIFIPTLFDMNNMDLLKQ ALLILHNDLHEYVENWSFSS TYHTYEADYIKEQDSVYDRS PKKKYIKAS ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 THR 2 2 SER 3 3 ASN 4 4 LYS 5 5 LYS 6 6 ILE 7 7 LEU 8 8 LEU 9 9 ASN 10 10 VAL 11 11 ASP 12 12 LYS 13 13 LEU 14 14 VAL 15 15 ASP 16 16 GLN 17 17 TYR 18 18 LEU 19 19 LEU 20 20 ASN 21 21 LEU 22 22 LYS 23 23 ASN 24 24 ASN 25 25 HIS 26 26 THR 27 27 SER 28 28 LYS 29 29 GLN 30 30 GLU 31 31 LEU 32 32 ILE 33 33 LEU 34 34 VAL 35 35 LEU 36 36 LYS 37 37 GLY 38 38 GLU 39 39 LEU 40 40 ASP 41 41 LEU 42 42 HIS 43 43 SER 44 44 LYS 45 45 ASN 46 46 MET 47 47 LYS 48 48 ASN 49 49 VAL 50 50 ILE 51 51 ASN 52 52 ASN 53 53 ALA 54 54 LYS 55 55 LYS 56 56 ASN 57 57 LEU 58 58 GLU 59 59 LYS 60 60 TYR 61 61 PHE 62 62 LYS 63 63 GLU 64 64 HIS 65 65 PHE 66 66 LYS 67 67 GLU 68 68 PHE 69 69 ASP 70 70 LYS 71 71 ILE 72 72 SER 73 73 TYR 74 74 ASP 75 75 ILE 76 76 SER 77 77 THR 78 78 PRO 79 79 ILE 80 80 ASN 81 81 PHE 82 82 LEU 83 83 CYS 84 84 ILE 85 85 PHE 86 86 ILE 87 87 PRO 88 88 THR 89 89 LEU 90 90 PHE 91 91 ASP 92 92 MET 93 93 ASN 94 94 ASN 95 95 MET 96 96 ASP 97 97 LEU 98 98 LEU 99 99 LYS 100 100 GLN 101 101 ALA 102 102 LEU 103 103 LEU 104 104 ILE 105 105 LEU 106 106 HIS 107 107 ASN 108 108 ASP 109 109 LEU 110 110 HIS 111 111 GLU 112 112 TYR 113 113 VAL 114 114 GLU 115 115 ASN 116 116 TRP 117 117 SER 118 118 PHE 119 119 SER 120 120 SER 121 121 THR 122 122 TYR 123 123 HIS 124 124 THR 125 125 TYR 126 126 GLU 127 127 ALA 128 128 ASP 129 129 TYR 130 130 ILE 131 131 LYS 132 132 GLU 133 133 GLN 134 134 ASP 135 135 SER 136 136 VAL 137 137 TYR 138 138 ASP 139 139 ARG 140 140 SER 141 141 PRO 142 142 LYS 143 143 LYS 144 144 LYS 145 145 TYR 146 146 ILE 147 147 LYS 148 148 ALA 149 149 SER stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-22 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 2LU1 "Pfsub2 Solution Nmr Structure" 100.00 149 100.00 100.00 2.45e-100 EMBL CAB37326 "subtilase [Plasmodium falciparum]" 99.33 1342 99.32 100.00 2.10e-90 EMBL CAB43592 "subtilisin-like protease 2 [Plasmodium falciparum]" 99.33 1337 97.30 99.32 1.16e-88 EMBL CDO65172 "subtilisin-like protease 2 [Plasmodium reichenowi]" 99.33 1339 97.30 100.00 4.32e-89 GB AAN35964 "subtilisin-like protease 2 [Plasmodium falciparum 3D7]" 99.33 1341 99.32 100.00 1.92e-90 GB AAY33847 "subtilisin-like protease [synthetic construct]" 99.33 1342 99.32 100.00 2.10e-90 GB ETW15317 "hypothetical protein PFFVO_05611 [Plasmodium falciparum Vietnam Oak-Knoll (FVO)]" 99.33 1345 98.65 100.00 3.64e-90 GB ETW30319 "hypothetical protein PFFCH_02237 [Plasmodium falciparum FCH/4]" 99.33 1332 99.32 100.00 1.84e-90 GB ETW35903 "hypothetical protein PFTANZ_03496 [Plasmodium falciparum Tanzania (2000708)]" 99.33 1324 98.65 100.00 3.98e-90 REF XP_001348051 "subtilisin-like protease 2 [Plasmodium falciparum 3D7]" 99.33 1341 99.32 100.00 1.92e-90 REF XP_012763770 "subtilisin-like protease 2 [Plasmodium reichenowi]" 99.33 1339 97.30 100.00 4.32e-89 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $pfsub2 'Malaria parasite P. falciparum' 5833 Eukaryota . Plasmodium falciparum 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 $pfsub2 'recombinant technology' . Escherichia coli . pPal7 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 _Concentration_min_value _Concentration_max_value _Isotopic_labeling $pfsub2 . mM 0.3 0.4 '[U-13C; U-15N]' 'potassium phosphate' 100 mM . . 'natural abundance' 'sodium azide' 10 mM . . 'natural abundance' D2O 5 % . . 'natural abundance' H2O 95 % . . 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CNS _Saveframe_category software _Name CNS _Version 1.21 loop_ _Vendor _Address _Electronic_address 'Brunger A. T. et.al.' . . stop_ loop_ _Task refinement stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details 'with cryoprobe' 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_3D_CBCA(CO)NH_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_C(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aliphatic_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aromatic_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _Sample_label $sample_1 save_ save_3D_H(CCO)NH_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _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' 0.1 . M pH 7 . 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_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D CBCA(CO)NH' '3D C(CO)NH' '3D HNCO' '3D HNCACB' '3D HBHA(CO)NH' '3D 1H-15N NOESY' '3D 1H-13C NOESY aliphatic' '3D 1H-13C NOESY aromatic' '3D H(CCO)NH' 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 pfsub2 _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 4 4 LYS C C 176.016 0.5 1 2 4 4 LYS CA C 56.809 0.5 1 3 4 4 LYS CB C 32.045 0.5 1 4 5 5 LYS H H 7.829 0.05 1 5 5 5 LYS HA H 4.253 0.05 1 6 5 5 LYS HB3 H 2.195 0.05 2 7 5 5 LYS C C 177.862 0.5 1 8 5 5 LYS CA C 57.862 0.5 1 9 5 5 LYS CB C 31.6 0.5 1 10 5 5 LYS N N 126.4 0.5 1 11 6 6 ILE H H 9.012 0.05 1 12 6 6 ILE HA H 4.255 0.05 1 13 6 6 ILE HB H 2.63 0.05 1 14 6 6 ILE C C 178.826 0.5 1 15 6 6 ILE CA C 57.81 0.5 1 16 6 6 ILE CB C 39.896 0.5 1 17 6 6 ILE N N 119.896 0.5 1 18 7 7 LEU H H 8.104 0.05 1 19 7 7 LEU HA H 4.226 0.05 1 20 7 7 LEU HB2 H 2.341 0.05 2 21 7 7 LEU HB3 H 1.54 0.05 2 22 7 7 LEU HG H 1.786 0.05 1 23 7 7 LEU C C 179.872 0.5 1 24 7 7 LEU CA C 57.02 0.5 1 25 7 7 LEU CB C 41.632 0.5 1 26 7 7 LEU N N 117.909 0.5 1 27 8 8 LEU H H 6.781 0.05 1 28 8 8 LEU HA H 3.329 0.05 1 29 8 8 LEU HB2 H 1.448 0.05 1 30 8 8 LEU HB3 H 1.448 0.05 1 31 8 8 LEU CA C 56.945 0.5 1 32 8 8 LEU CB C 38.951 0.5 1 33 8 8 LEU N N 121.284 0.5 1 34 9 9 ASN HA H 4.266 0.05 1 35 9 9 ASN HB2 H 3.176 0.05 1 36 9 9 ASN HB3 H 3.176 0.05 1 37 9 9 ASN C C 179.215 0.5 1 38 9 9 ASN CA C 58.507 0.5 1 39 9 9 ASN CB C 42.115 0.5 1 40 10 10 VAL H H 8.014 0.05 1 41 10 10 VAL HA H 4.041 0.05 1 42 10 10 VAL C C 177.523 0.5 1 43 10 10 VAL CA C 67.407 0.5 1 44 10 10 VAL CB C 30.875 0.5 1 45 10 10 VAL N N 119.438 0.5 1 46 11 11 ASP H H 7.738 0.05 1 47 11 11 ASP C C 178.742 0.5 1 48 11 11 ASP CA C 58.228 0.5 1 49 11 11 ASP CB C 40.226 0.5 1 50 11 11 ASP N N 118.82 0.5 1 51 12 12 LYS H H 7.62 0.05 1 52 12 12 LYS HA H 4.133 0.05 1 53 12 12 LYS HB2 H 1.942 0.05 1 54 12 12 LYS HB3 H 1.942 0.05 1 55 12 12 LYS CA C 58.504 0.5 1 56 12 12 LYS CB C 31.871 0.5 1 57 12 12 LYS N N 118.846 0.5 1 58 14 14 VAL HA H 4.059 0.05 1 59 14 14 VAL HB H 1.843 0.05 1 60 14 14 VAL C C 175.786 0.5 1 61 14 14 VAL CA C 62.956 0.5 1 62 14 14 VAL CB C 31.928 0.5 1 63 15 15 ASP H H 8.817 0.05 1 64 15 15 ASP HA H 4.089 0.05 1 65 15 15 ASP C C 174.704 0.5 1 66 15 15 ASP CA C 54.261 0.5 1 67 15 15 ASP CB C 42.402 0.5 1 68 15 15 ASP N N 129.019 0.5 1 69 16 16 GLN H H 8.698 0.05 1 70 16 16 GLN HA H 4.266 0.05 1 71 16 16 GLN HB2 H 2.059 0.05 1 72 16 16 GLN HB3 H 2.059 0.05 1 73 16 16 GLN C C 176.596 0.5 1 74 16 16 GLN CA C 57.335 0.5 1 75 16 16 GLN CB C 28.684 0.5 1 76 16 16 GLN N N 116.557 0.5 1 77 17 17 TYR H H 7.336 0.05 1 78 17 17 TYR HA H 4.274 0.05 1 79 17 17 TYR HB2 H 1.728 0.05 1 80 17 17 TYR HB3 H 1.728 0.05 1 81 17 17 TYR CA C 54.415 0.5 1 82 17 17 TYR CB C 42.964 0.5 1 83 17 17 TYR N N 119.909 0.5 1 84 20 20 ASN HA H 4.025 0.05 1 85 20 20 ASN HB2 H 2.861 0.05 2 86 20 20 ASN HB3 H 2.558 0.05 2 87 20 20 ASN C C 177.974 0.5 1 88 20 20 ASN CA C 55.345 0.5 1 89 20 20 ASN CB C 38.017 0.5 1 90 21 21 LEU H H 7.664 0.05 1 91 21 21 LEU HA H 3.856 0.05 1 92 21 21 LEU HB2 H 1.629 0.05 2 93 21 21 LEU HB3 H 1.353 0.05 2 94 21 21 LEU HD1 H 0.82 0.05 2 95 21 21 LEU C C 178.296 0.5 1 96 21 21 LEU CA C 56.794 0.5 1 97 21 21 LEU CB C 42.665 0.5 1 98 21 21 LEU CG C 30.33 0.5 1 99 21 21 LEU CD1 C 24.534 0.5 1 100 21 21 LEU N N 120.035 0.5 1 101 22 22 LYS H H 7.521 0.05 1 102 22 22 LYS HA H 4.279 0.05 1 103 22 22 LYS HB2 H 1.897 0.05 1 104 22 22 LYS HB3 H 1.897 0.05 1 105 22 22 LYS C C 176.886 0.5 1 106 22 22 LYS CA C 57.979 0.5 1 107 22 22 LYS CB C 32.526 0.5 1 108 22 22 LYS CG C 25.003 0.5 1 109 22 22 LYS CD C 29.979 0.5 1 110 22 22 LYS CE C 41.922 0.5 1 111 22 22 LYS N N 116.504 0.5 1 112 23 23 ASN H H 7.622 0.05 1 113 23 23 ASN HA H 4.824 0.05 1 114 23 23 ASN HB2 H 2.89 0.05 2 115 23 23 ASN HB3 H 2.659 0.05 2 116 23 23 ASN C C 173.946 0.5 1 117 23 23 ASN CA C 53.633 0.5 1 118 23 23 ASN CB C 39.308 0.5 1 119 23 23 ASN N N 116.609 0.5 1 120 24 24 ASN H H 7.581 0.05 1 121 24 24 ASN HA H 4.373 0.05 1 122 24 24 ASN HB2 H 2.713 0.05 1 123 24 24 ASN HB3 H 2.713 0.05 1 124 24 24 ASN C C 179.456 0.5 1 125 24 24 ASN CA C 55.525 0.5 1 126 24 24 ASN CB C 40.811 0.5 1 127 24 24 ASN N N 123.849 0.5 1 128 25 25 HIS H H 8.401 0.05 1 129 25 25 HIS HA H 4.413 0.05 1 130 25 25 HIS C C 175.574 0.5 1 131 25 25 HIS CA C 57.687 0.5 1 132 25 25 HIS CB C 29.879 0.5 1 133 25 25 HIS N N 123.95 0.5 1 134 26 26 THR H H 7.497 0.05 1 135 26 26 THR HA H 4.814 0.05 1 136 26 26 THR HG2 H 1.874 0.05 1 137 26 26 THR CA C 60.446 0.5 1 138 26 26 THR CB C 71.335 0.5 1 139 26 26 THR N N 114.968 0.5 1 140 27 27 SER HA H 4.339 0.05 1 141 27 27 SER HB2 H 4.01 0.05 1 142 27 27 SER HB3 H 4.01 0.05 1 143 27 27 SER C C 175.743 0.5 1 144 27 27 SER CA C 60.497 0.5 1 145 27 27 SER CB C 63.659 0.5 1 146 28 28 LYS H H 7.785 0.05 1 147 28 28 LYS HA H 5.218 0.05 1 148 28 28 LYS HB2 H 1.787 0.05 1 149 28 28 LYS HB3 H 1.787 0.05 1 150 28 28 LYS C C 175.699 0.5 1 151 28 28 LYS CA C 55.545 0.5 1 152 28 28 LYS CB C 35.913 0.5 1 153 28 28 LYS CG C 24.593 0.5 1 154 28 28 LYS CE C 42.566 0.5 1 155 28 28 LYS N N 118.099 0.5 1 156 29 29 GLN H H 9.283 0.05 1 157 29 29 GLN HA H 4.738 0.05 1 158 29 29 GLN HB2 H 2.499 0.05 2 159 29 29 GLN HB3 H 1.753 0.05 2 160 29 29 GLN C C 174.277 0.5 1 161 29 29 GLN CA C 55.525 0.5 1 162 29 29 GLN CB C 32.87 0.5 1 163 29 29 GLN N N 122.481 0.5 1 164 30 30 GLU H H 9.188 0.05 1 165 30 30 GLU HA H 4.276 0.05 1 166 30 30 GLU HB2 H 1.879 0.05 1 167 30 30 GLU HB3 H 1.879 0.05 1 168 30 30 GLU C C 173.313 0.5 1 169 30 30 GLU CA C 55.954 0.5 1 170 30 30 GLU CB C 31.054 0.5 1 171 30 30 GLU CG C 36.009 0.5 1 172 30 30 GLU N N 122.881 0.5 1 173 31 31 LEU H H 9.016 0.05 1 174 31 31 LEU HA H 4.293 0.05 1 175 31 31 LEU HB2 H 1.849 0.05 1 176 31 31 LEU HB3 H 1.849 0.05 1 177 31 31 LEU HD1 H 0.904 0.05 2 178 31 31 LEU C C 171.909 0.5 1 179 31 31 LEU CA C 53.281 0.5 1 180 31 31 LEU CB C 42.45 0.5 1 181 31 31 LEU N N 130.328 0.5 1 182 32 32 ILE H H 8.738 0.05 1 183 32 32 ILE HA H 5.528 0.05 1 184 32 32 ILE HD1 H 0.655 0.05 1 185 32 32 ILE C C 175.735 0.5 1 186 32 32 ILE CA C 59.224 0.5 1 187 32 32 ILE CB C 36.625 0.5 1 188 32 32 ILE N N 120.632 0.5 1 189 33 33 LEU HA H 3.997 0.05 1 190 33 33 LEU HB2 H 1.913 0.05 2 191 33 33 LEU HB3 H 1.485 0.05 2 192 33 33 LEU C C 180.03 0.5 1 193 33 33 LEU CA C 58.333 0.5 1 194 33 33 LEU CB C 41.433 0.5 1 195 33 33 LEU CG C 25.12 0.5 1 196 33 33 LEU CD1 C 23.363 0.5 1 197 34 34 VAL H H 7.751 0.05 1 198 34 34 VAL HA H 3.617 0.05 1 199 34 34 VAL HB H 1.941 0.05 1 200 34 34 VAL HG1 H 0.945 0.05 2 201 34 34 VAL C C 178.222 0.5 1 202 34 34 VAL CA C 66.122 0.5 1 203 34 34 VAL CB C 37.942 0.5 1 204 34 34 VAL CG1 C 24.827 0.5 1 205 34 34 VAL N N 124.025 0.5 1 206 35 35 LEU H H 7.532 0.05 1 207 35 35 LEU HA H 4.276 0.05 1 208 35 35 LEU HB2 H 1.813 0.05 2 209 35 35 LEU HB3 H 1.567 0.05 2 210 35 35 LEU HG H 0.972 0.05 1 211 35 35 LEU HD1 H 0.54 0.05 2 212 35 35 LEU C C 175.855 0.5 1 213 35 35 LEU CA C 57.375 0.5 1 214 35 35 LEU CB C 43.089 0.5 1 215 35 35 LEU CG C 24.651 0.5 1 216 35 35 LEU N N 120.009 0.5 1 217 36 36 LYS H H 7.501 0.05 1 218 36 36 LYS C C 178.903 0.5 1 219 36 36 LYS CA C 58.347 0.5 1 220 36 36 LYS CB C 32.903 0.5 1 221 36 36 LYS N N 115.805 0.5 1 222 37 37 GLY H H 8.811 0.05 1 223 37 37 GLY HA2 H 3.935 0.05 1 224 37 37 GLY HA3 H 3.935 0.05 1 225 37 37 GLY C C 174.865 0.5 1 226 37 37 GLY CA C 47.466 0.5 1 227 37 37 GLY N N 110.626 0.5 1 228 38 38 GLU H H 8.763 0.05 1 229 38 38 GLU HA H 4.302 0.05 1 230 38 38 GLU HB2 H 2.094 0.05 1 231 38 38 GLU HB3 H 2.094 0.05 1 232 38 38 GLU C C 176.681 0.5 1 233 38 38 GLU CA C 57.184 0.5 1 234 38 38 GLU CB C 28.829 0.5 1 235 38 38 GLU CG C 36.009 0.5 1 236 38 38 GLU N N 116.098 0.5 1 237 39 39 LEU H H 7.167 0.05 1 238 39 39 LEU HA H 4.266 0.05 1 239 39 39 LEU HB2 H 1.749 0.05 1 240 39 39 LEU HB3 H 1.749 0.05 1 241 39 39 LEU C C 176.016 0.5 1 242 39 39 LEU CA C 54.725 0.5 1 243 39 39 LEU CB C 43.602 0.5 1 244 39 39 LEU CG C 27.637 0.5 1 245 39 39 LEU CD1 C 21.9 0.5 1 246 39 39 LEU N N 119.439 0.5 1 247 40 40 ASP H H 8.596 0.05 1 248 40 40 ASP HA H 4.728 0.05 1 249 40 40 ASP C C 178.198 0.5 1 250 40 40 ASP CA C 52.19 0.5 1 251 40 40 ASP CB C 40.557 0.5 1 252 40 40 ASP N N 120.105 0.5 1 253 41 41 LEU H H 9.029 0.05 1 254 41 41 LEU HA H 3.753 0.05 1 255 41 41 LEU HB2 H 1.307 0.05 1 256 41 41 LEU HB3 H 1.307 0.05 1 257 41 41 LEU HD1 H 0.604 0.05 2 258 41 41 LEU C C 175.113 0.5 1 259 41 41 LEU CA C 56.667 0.5 1 260 41 41 LEU CB C 39.849 0.5 1 261 41 41 LEU CG C 25.529 0.5 1 262 41 41 LEU CD1 C 23.656 0.5 1 263 41 41 LEU N N 125.023 0.5 1 264 42 42 HIS H H 8.065 0.05 1 265 42 42 HIS HA H 4.524 0.05 1 266 42 42 HIS HB2 H 3.197 0.05 1 267 42 42 HIS HB3 H 3.197 0.05 1 268 42 42 HIS C C 175.855 0.5 1 269 42 42 HIS CA C 55.916 0.5 1 270 42 42 HIS CB C 30.137 0.5 1 271 42 42 HIS N N 113.184 0.5 1 272 43 43 SER H H 7.511 0.05 1 273 43 43 SER HA H 4.524 0.05 1 274 43 43 SER C C 174.426 0.5 1 275 43 43 SER CA C 58.206 0.5 1 276 43 43 SER CB C 65.517 0.5 1 277 43 43 SER N N 116.013 0.5 1 278 44 44 LYS H H 8.846 0.05 1 279 44 44 LYS C C 177.791 0.5 1 280 44 44 LYS CA C 59.456 0.5 1 281 44 44 LYS CB C 30.172 0.5 1 282 44 44 LYS N N 123.332 0.5 1 283 45 45 ASN H H 8.545 0.05 1 284 45 45 ASN HA H 4.47 0.05 1 285 45 45 ASN HB2 H 2.788 0.05 1 286 45 45 ASN HB3 H 2.788 0.05 1 287 45 45 ASN C C 177.817 0.5 1 288 45 45 ASN CA C 56.928 0.5 1 289 45 45 ASN CB C 38.404 0.5 1 290 45 45 ASN N N 118.501 0.5 1 291 46 46 MET H H 7.379 0.05 1 292 46 46 MET HA H 4.471 0.05 1 293 46 46 MET HB2 H 2.19 0.05 2 294 46 46 MET HB3 H 1.619 0.05 2 295 46 46 MET C C 178.964 0.5 1 296 46 46 MET CA C 55.467 0.5 1 297 46 46 MET CB C 29.707 0.5 1 298 46 46 MET CG C 31.911 0.5 1 299 46 46 MET N N 116.171 0.5 1 300 47 47 LYS H H 8.45 0.05 1 301 47 47 LYS HA H 3.884 0.05 1 302 47 47 LYS HB2 H 1.821 0.05 1 303 47 47 LYS HB3 H 1.821 0.05 1 304 47 47 LYS HG2 H 1.495 0.05 1 305 47 47 LYS HG3 H 1.495 0.05 1 306 47 47 LYS HE2 H 2.952 0.05 1 307 47 47 LYS HE3 H 2.952 0.05 1 308 47 47 LYS C C 179.31 0.5 1 309 47 47 LYS CA C 60.339 0.5 1 310 47 47 LYS CB C 31.75 0.5 1 311 47 47 LYS CG C 25.588 0.5 1 312 47 47 LYS CE C 41.57 0.5 1 313 47 47 LYS N N 121.054 0.5 1 314 48 48 ASN H H 7.896 0.05 1 315 48 48 ASN HA H 3.881 0.05 1 316 48 48 ASN HB2 H 2.952 0.05 1 317 48 48 ASN HB3 H 2.952 0.05 1 318 48 48 ASN C C 177.733 0.5 1 319 48 48 ASN CA C 56.54 0.5 1 320 48 48 ASN CB C 38.333 0.5 1 321 48 48 ASN N N 117.137 0.5 1 322 49 49 VAL H H 7.869 0.05 1 323 49 49 VAL HA H 3.679 0.05 1 324 49 49 VAL HB H 2.017 0.05 1 325 49 49 VAL HG1 H 0.916 0.05 2 326 49 49 VAL HG2 H 0.651 0.05 2 327 49 49 VAL C C 176.675 0.5 1 328 49 49 VAL CA C 66.434 0.5 1 329 49 49 VAL CB C 32.069 0.5 1 330 49 49 VAL CG1 C 21.616 0.5 1 331 49 49 VAL N N 121.225 0.5 1 332 50 50 ILE H H 8.093 0.05 1 333 50 50 ILE HA H 4.25 0.05 1 334 50 50 ILE HB H 2.666 0.05 1 335 50 50 ILE HG12 H 0.899 0.05 1 336 50 50 ILE HG13 H 0.899 0.05 1 337 50 50 ILE C C 179.831 0.5 1 338 50 50 ILE CA C 57.94 0.5 1 339 50 50 ILE CB C 40.112 0.5 1 340 50 50 ILE N N 120.523 0.5 1 341 51 51 ASN H H 7.953 0.05 1 342 51 51 ASN HA H 4.019 0.05 1 343 51 51 ASN C C 178.496 0.5 1 344 51 51 ASN CA C 56.612 0.5 1 345 51 51 ASN CB C 38.355 0.5 1 346 51 51 ASN N N 117.28 0.5 1 347 52 52 ASN H H 8.347 0.05 1 348 52 52 ASN HA H 4.415 0.05 1 349 52 52 ASN HB2 H 2.863 0.05 1 350 52 52 ASN HB3 H 2.863 0.05 1 351 52 52 ASN C C 176.434 0.5 1 352 52 52 ASN CA C 56.77 0.5 1 353 52 52 ASN CB C 38.353 0.5 1 354 52 52 ASN N N 118.893 0.5 1 355 53 53 ALA H H 7.706 0.05 1 356 53 53 ALA HA H 4.514 0.05 1 357 53 53 ALA HB H 1.48 0.05 1 358 53 53 ALA C C 180.689 0.5 1 359 53 53 ALA CA C 54.901 0.5 1 360 53 53 ALA CB C 17.901 0.5 1 361 53 53 ALA N N 122.291 0.5 1 362 54 54 LYS H H 8.375 0.05 1 363 54 54 LYS HA H 3.837 0.05 1 364 54 54 LYS HB2 H 2.047 0.05 1 365 54 54 LYS HB3 H 2.047 0.05 1 366 54 54 LYS C C 178.066 0.5 1 367 54 54 LYS CA C 60.306 0.5 1 368 54 54 LYS CB C 32.088 0.5 1 369 54 54 LYS CG C 25.237 0.5 1 370 54 54 LYS N N 119.091 0.5 1 371 55 55 LYS H H 8.259 0.05 1 372 55 55 LYS HA H 3.873 0.05 1 373 55 55 LYS HB2 H 2.023 0.05 1 374 55 55 LYS HB3 H 2.023 0.05 1 375 55 55 LYS C C 179.819 0.5 1 376 55 55 LYS CA C 60.286 0.5 1 377 55 55 LYS CB C 31.99 0.5 1 378 55 55 LYS N N 119.37 0.5 1 379 56 56 ASN H H 8.235 0.05 1 380 56 56 ASN HA H 4.409 0.05 1 381 56 56 ASN HB2 H 3.057 0.05 2 382 56 56 ASN HB3 H 2.665 0.05 2 383 56 56 ASN C C 178.899 0.5 1 384 56 56 ASN CA C 55.74 0.5 1 385 56 56 ASN CB C 37.103 0.5 1 386 56 56 ASN N N 119.303 0.5 1 387 57 57 LEU H H 8.21 0.05 1 388 57 57 LEU HA H 4.682 0.05 1 389 57 57 LEU HB2 H 1.979 0.05 2 390 57 57 LEU HB3 H 1.771 0.05 2 391 57 57 LEU HD1 H 0.975 0.05 2 392 57 57 LEU C C 178.541 0.5 1 393 57 57 LEU CA C 58.199 0.5 1 394 57 57 LEU CB C 42.626 0.5 1 395 57 57 LEU CG C 25.295 0.5 1 396 57 57 LEU CD1 C 24.683 0.5 1 397 57 57 LEU N N 123.252 0.5 1 398 58 58 GLU H H 8.846 0.05 1 399 58 58 GLU HA H 4.003 0.05 1 400 58 58 GLU HB2 H 1.713 0.05 1 401 58 58 GLU HB3 H 1.713 0.05 1 402 58 58 GLU HG2 H 2.479 0.05 1 403 58 58 GLU HG3 H 2.479 0.05 1 404 58 58 GLU C C 177.333 0.5 1 405 58 58 GLU CA C 61.145 0.5 1 406 58 58 GLU CB C 30.312 0.5 1 407 58 58 GLU CG C 38.521 0.5 1 408 58 58 GLU N N 118.795 0.5 1 409 59 59 LYS H H 8.373 0.05 1 410 59 59 LYS HA H 4.475 0.05 1 411 59 59 LYS C C 178.428 0.5 1 412 59 59 LYS CA C 60.145 0.5 1 413 59 59 LYS CB C 32.688 0.5 1 414 59 59 LYS CG C 24.768 0.5 1 415 59 59 LYS CD C 29.803 0.5 1 416 59 59 LYS CE C 40.282 0.5 1 417 59 59 LYS N N 118.325 0.5 1 418 60 60 TYR H H 7.532 0.05 1 419 60 60 TYR HA H 4.327 0.05 1 420 60 60 TYR HB2 H 2.539 0.05 2 421 60 60 TYR HB3 H 1.862 0.05 2 422 60 60 TYR HD1 H 7.17 0.05 1 423 60 60 TYR HD2 H 7.17 0.05 1 424 60 60 TYR C C 178.899 0.5 1 425 60 60 TYR CA C 62.394 0.5 1 426 60 60 TYR CB C 38.294 0.5 1 427 60 60 TYR N N 119.345 0.5 1 428 61 61 PHE H H 8.607 0.05 1 429 61 61 PHE HA H 4.328 0.05 1 430 61 61 PHE HB2 H 2.555 0.05 2 431 61 61 PHE HB3 H 1.872 0.05 2 432 61 61 PHE HD1 H 7.177 0.05 1 433 61 61 PHE HD2 H 7.177 0.05 1 434 61 61 PHE C C 178.45 0.5 1 435 61 61 PHE CA C 62.394 0.5 1 436 61 61 PHE CB C 37.923 0.5 1 437 61 61 PHE N N 118.931 0.5 1 438 62 62 LYS H H 8.615 0.05 1 439 62 62 LYS HA H 4.302 0.05 1 440 62 62 LYS HB2 H 2.057 0.05 1 441 62 62 LYS HB3 H 2.057 0.05 1 442 62 62 LYS C C 178.333 0.5 1 443 62 62 LYS CA C 59.311 0.5 1 444 62 62 LYS CB C 32.849 0.5 1 445 62 62 LYS CG C 26.291 0.5 1 446 62 62 LYS N N 118.337 0.5 1 447 63 63 GLU H H 7.547 0.05 1 448 63 63 GLU HA H 3.926 0.05 1 449 63 63 GLU HB2 H 1.9 0.05 2 450 63 63 GLU HB3 H 1.599 0.05 2 451 63 63 GLU C C 177.317 0.5 1 452 63 63 GLU CA C 58.316 0.5 1 453 63 63 GLU CB C 29.356 0.5 1 454 63 63 GLU CG C 36.36 0.5 1 455 63 63 GLU N N 116.36 0.5 1 456 64 64 HIS H H 7.013 0.05 1 457 64 64 HIS HA H 4.421 0.05 1 458 64 64 HIS HB2 H 2.87 0.05 1 459 64 64 HIS HB3 H 2.87 0.05 1 460 64 64 HIS C C 173.911 0.5 1 461 64 64 HIS CA C 58.082 0.5 1 462 64 64 HIS CB C 31.835 0.5 1 463 64 64 HIS N N 113.58 0.5 1 464 65 65 PHE H H 8.34 0.05 1 465 65 65 PHE HA H 4.936 0.05 1 466 65 65 PHE HB2 H 3.19 0.05 2 467 65 65 PHE HB3 H 2.942 0.05 2 468 65 65 PHE HD1 H 7.308 0.05 1 469 65 65 PHE HD2 H 7.308 0.05 1 470 65 65 PHE C C 175.232 0.5 1 471 65 65 PHE CA C 57.223 0.5 1 472 65 65 PHE CB C 40.362 0.5 1 473 65 65 PHE N N 119.434 0.5 1 474 66 66 LYS H H 8.59 0.05 1 475 66 66 LYS HA H 4.288 0.05 1 476 66 66 LYS HB2 H 1.924 0.05 1 477 66 66 LYS HB3 H 1.924 0.05 1 478 66 66 LYS C C 177.685 0.5 1 479 66 66 LYS CA C 58.798 0.5 1 480 66 66 LYS CB C 32.473 0.5 1 481 66 66 LYS CG C 24.944 0.5 1 482 66 66 LYS CD C 29.159 0.5 1 483 66 66 LYS CE C 42.273 0.5 1 484 66 66 LYS N N 123.217 0.5 1 485 67 67 GLU H H 8.969 0.05 1 486 67 67 GLU HA H 4.361 0.05 1 487 67 67 GLU HB2 H 2.081 0.05 1 488 67 67 GLU HB3 H 2.081 0.05 1 489 67 67 GLU C C 175.77 0.5 1 490 67 67 GLU CA C 56.364 0.5 1 491 67 67 GLU CB C 29.103 0.5 1 492 67 67 GLU CG C 36.536 0.5 1 493 67 67 GLU N N 117.085 0.5 1 494 68 68 PHE H H 7.752 0.05 1 495 68 68 PHE HA H 4.272 0.05 1 496 68 68 PHE HB2 H 3.104 0.05 1 497 68 68 PHE HB3 H 3.104 0.05 1 498 68 68 PHE HD1 H 7.135 0.05 1 499 68 68 PHE HD2 H 7.135 0.05 1 500 68 68 PHE C C 173.621 0.5 1 501 68 68 PHE CA C 59.096 0.5 1 502 68 68 PHE CB C 40.772 0.5 1 503 68 68 PHE N N 121.127 0.5 1 504 69 69 ASP H H 7.767 0.05 1 505 69 69 ASP HA H 4.603 0.05 1 506 69 69 ASP HB2 H 2.549 0.05 1 507 69 69 ASP HB3 H 2.549 0.05 1 508 69 69 ASP C C 173.387 0.5 1 509 69 69 ASP CA C 54.881 0.5 1 510 69 69 ASP CB C 41.806 0.5 1 511 69 69 ASP N N 125.72 0.5 1 512 70 70 LYS H H 7.305 0.05 1 513 70 70 LYS HA H 4.449 0.05 1 514 70 70 LYS HB2 H 1.747 0.05 1 515 70 70 LYS HB3 H 1.747 0.05 1 516 70 70 LYS C C 175.841 0.5 1 517 70 70 LYS CA C 55.486 0.5 1 518 70 70 LYS CB C 34.781 0.5 1 519 70 70 LYS CG C 23.598 0.5 1 520 70 70 LYS CD C 29.335 0.5 1 521 70 70 LYS CE C 42.214 0.5 1 522 70 70 LYS N N 115.004 0.5 1 523 71 71 ILE H H 9.522 0.05 1 524 71 71 ILE HA H 4.709 0.05 1 525 71 71 ILE HB H 2.121 0.05 1 526 71 71 ILE HG12 H 1.046 0.05 1 527 71 71 ILE HG13 H 1.046 0.05 1 528 71 71 ILE C C 175.12 0.5 1 529 71 71 ILE CA C 59.252 0.5 1 530 71 71 ILE CB C 39.302 0.5 1 531 71 71 ILE CG1 C 28.34 0.5 1 532 71 71 ILE CG2 C 18.27 0.5 1 533 71 71 ILE N N 122.809 0.5 1 534 72 72 SER H H 8.76 0.05 1 535 72 72 SER HA H 4.92 0.05 1 536 72 72 SER HB2 H 3.882 0.05 1 537 72 72 SER HB3 H 3.882 0.05 1 538 72 72 SER C C 172.157 0.5 1 539 72 72 SER CA C 57.73 0.5 1 540 72 72 SER CB C 65.634 0.5 1 541 72 72 SER N N 121.741 0.5 1 542 73 73 TYR H H 8.275 0.05 1 543 73 73 TYR HA H 5.721 0.05 1 544 73 73 TYR HB2 H 3.017 0.05 2 545 73 73 TYR HB3 H 2.762 0.05 2 546 73 73 TYR HD1 H 6.746 0.05 1 547 73 73 TYR HD2 H 6.746 0.05 1 548 73 73 TYR C C 173.231 0.5 1 549 73 73 TYR CA C 56.23 0.5 1 550 73 73 TYR CB C 42.383 0.5 1 551 73 73 TYR CD1 C 132.539 0.5 1 552 73 73 TYR CD2 C 132.539 0.5 1 553 73 73 TYR N N 118.245 0.5 1 554 74 74 ASP H H 9.332 0.05 1 555 74 74 ASP HA H 5.055 0.05 1 556 74 74 ASP HB2 H 2.664 0.05 1 557 74 74 ASP HB3 H 2.664 0.05 1 558 74 74 ASP C C 174.827 0.5 1 559 74 74 ASP CA C 53.601 0.5 1 560 74 74 ASP CB C 45.64 0.5 1 561 74 74 ASP N N 120.379 0.5 1 562 75 75 ILE H H 7.501 0.05 1 563 75 75 ILE HA H 4.584 0.05 1 564 75 75 ILE C C 177.411 0.5 1 565 75 75 ILE CA C 59.209 0.5 1 566 75 75 ILE CB C 40.768 0.5 1 567 76 76 SER H H 9.05 0.05 1 568 76 76 SER HA H 5.45 0.05 1 569 76 76 SER HB2 H 3.889 0.05 1 570 76 76 SER HB3 H 3.889 0.05 1 571 76 76 SER C C 173.767 0.5 1 572 76 76 SER CA C 57.758 0.5 1 573 76 76 SER CB C 64.462 0.5 1 574 76 76 SER N N 117.836 0.5 1 575 77 77 THR H H 8.601 0.05 1 576 77 77 THR HA H 4.959 0.05 1 577 77 77 THR HB H 4.618 0.05 1 578 77 77 THR HG2 H 1.087 0.05 1 579 77 77 THR C C 172.636 0.5 1 580 77 77 THR CA C 58.87 0.5 1 581 77 77 THR CB C 69.935 0.5 1 582 77 77 THR N N 117.435 0.5 1 583 78 78 PRO HB2 H 1.716 0.05 1 584 78 78 PRO HB3 H 1.716 0.05 1 585 78 78 PRO C C 179.328 0.5 1 586 78 78 PRO CA C 63.483 0.5 1 587 78 78 PRO CB C 32.162 0.5 1 588 79 79 ILE H H 8.227 0.05 1 589 79 79 ILE HA H 4.621 0.05 1 590 79 79 ILE HG12 H 2.349 0.05 1 591 79 79 ILE HG13 H 2.349 0.05 1 592 79 79 ILE HD1 H 1.287 0.05 1 593 79 79 ILE C C 177.212 0.5 1 594 79 79 ILE CA C 65.921 0.5 1 595 79 79 ILE CB C 37.468 0.5 1 596 79 79 ILE CG1 C 29.569 0.5 1 597 79 79 ILE CD1 C 16.748 0.5 1 598 79 79 ILE N N 120.707 0.5 1 599 80 80 ASN H H 8.466 0.05 1 600 80 80 ASN HA H 4.43 0.05 1 601 80 80 ASN HB2 H 2.89 0.05 1 602 80 80 ASN HB3 H 2.89 0.05 1 603 80 80 ASN C C 178.172 0.5 1 604 80 80 ASN CA C 56.763 0.5 1 605 80 80 ASN CB C 38.087 0.5 1 606 80 80 ASN N N 118.168 0.5 1 607 81 81 PHE H H 9.152 0.05 1 608 81 81 PHE C C 174.016 0.5 1 609 81 81 PHE CA C 54.819 0.5 1 610 81 81 PHE CB C 39.773 0.5 1 611 81 81 PHE N N 129.059 0.5 1 612 82 82 LEU H H 9.147 0.05 1 613 82 82 LEU HA H 4.993 0.05 1 614 82 82 LEU HB2 H 1.79 0.05 1 615 82 82 LEU HB3 H 1.79 0.05 1 616 82 82 LEU HG H 1.195 0.05 1 617 82 82 LEU HD1 H 0.685 0.05 2 618 82 82 LEU C C 173.695 0.5 1 619 82 82 LEU CA C 53.75 0.5 1 620 82 82 LEU CB C 44.936 0.5 1 621 82 82 LEU CG C 26.291 0.5 1 622 82 82 LEU CD1 C 24.241 0.5 1 623 82 82 LEU N N 124.64 0.5 1 624 83 83 CYS H H 9.065 0.05 1 625 83 83 CYS HA H 5.238 0.05 1 626 83 83 CYS HB2 H 2.693 0.05 1 627 83 83 CYS HB3 H 2.693 0.05 1 628 83 83 CYS C C 173.733 0.5 1 629 83 83 CYS CA C 56.361 0.5 1 630 83 83 CYS CB C 28.374 0.5 1 631 83 83 CYS N N 126.066 0.5 1 632 84 84 ILE H H 9.426 0.05 1 633 84 84 ILE HA H 4.359 0.05 1 634 84 84 ILE HB H 1.736 0.05 1 635 84 84 ILE HG12 H 0.99 0.05 1 636 84 84 ILE HG13 H 0.99 0.05 1 637 84 84 ILE HD1 H 0.864 0.05 1 638 84 84 ILE C C 174.745 0.5 1 639 84 84 ILE CA C 60.519 0.5 1 640 84 84 ILE CB C 40.358 0.5 1 641 84 84 ILE CG1 C 27.696 0.5 1 642 84 84 ILE CD1 C 17.568 0.5 1 643 84 84 ILE N N 126.11 0.5 1 644 85 85 PHE H H 8.337 0.05 1 645 85 85 PHE HA H 5.019 0.05 1 646 85 85 PHE HD1 H 6.999 0.05 1 647 85 85 PHE HD2 H 6.999 0.05 1 648 85 85 PHE C C 175.358 0.5 1 649 85 85 PHE CA C 57.731 0.5 1 650 85 85 PHE CB C 38.742 0.5 1 651 85 85 PHE N N 126.315 0.5 1 652 86 86 ILE H H 9.161 0.05 1 653 86 86 ILE HA H 4.903 0.05 1 654 86 86 ILE HB H 1.78 0.05 1 655 86 86 ILE HG12 H 1.328 0.05 1 656 86 86 ILE HG13 H 1.328 0.05 1 657 86 86 ILE HG2 H 0.774 0.05 1 658 86 86 ILE C C 173.967 0.5 1 659 86 86 ILE CA C 55.386 0.5 1 660 86 86 ILE CB C 38.811 0.5 1 661 86 86 ILE N N 126.561 0.5 1 662 87 87 PRO HA H 5.022 0.05 1 663 87 87 PRO HB2 H 2.474 0.05 2 664 87 87 PRO HB3 H 1.955 0.05 2 665 87 87 PRO C C 177.938 0.5 1 666 87 87 PRO CA C 62.508 0.5 1 667 87 87 PRO CB C 32.534 0.5 1 668 87 87 PRO CG C 27.637 0.5 1 669 88 88 THR H H 8.003 0.05 1 670 88 88 THR HA H 4.486 0.05 1 671 88 88 THR HG2 H 1.181 0.05 1 672 88 88 THR C C 176.082 0.5 1 673 88 88 THR CA C 60.306 0.5 1 674 88 88 THR CB C 66.727 0.5 1 675 88 88 THR N N 113.282 0.5 1 676 89 89 LEU H H 7.822 0.05 1 677 89 89 LEU HA H 4.009 0.05 1 678 89 89 LEU HG H 1.784 0.05 1 679 89 89 LEU HD1 H 0.577 0.05 2 680 89 89 LEU C C 175.776 0.5 1 681 89 89 LEU CA C 53.969 0.5 1 682 89 89 LEU CB C 41.996 0.5 1 683 89 89 LEU CG C 24.124 0.5 1 684 89 89 LEU CD1 C 21.569 0.5 1 685 89 89 LEU N N 122.317 0.5 1 686 90 90 PHE H H 7.11 0.05 1 687 90 90 PHE HA H 5.56 0.05 1 688 90 90 PHE HB2 H 2.987 0.05 2 689 90 90 PHE HB3 H 2.5 0.05 2 690 90 90 PHE HD1 H 7.108 0.05 1 691 90 90 PHE HD2 H 7.108 0.05 1 692 90 90 PHE C C 175.869 0.5 1 693 90 90 PHE CA C 55.096 0.5 1 694 90 90 PHE CB C 40.107 0.5 1 695 90 90 PHE N N 114.801 0.5 1 696 91 91 ASP H H 9.852 0.05 1 697 91 91 ASP HA H 4.557 0.05 1 698 91 91 ASP HB2 H 3.14 0.05 2 699 91 91 ASP HB3 H 2.839 0.05 2 700 91 91 ASP C C 175.684 0.5 1 701 91 91 ASP CA C 52.969 0.5 1 702 91 91 ASP CB C 42.216 0.5 1 703 91 91 ASP N N 127.244 0.5 1 704 92 92 MET H H 8.574 0.05 1 705 92 92 MET HA H 4.278 0.05 1 706 92 92 MET HB2 H 2.68 0.05 2 707 92 92 MET HB3 H 2.111 0.05 2 708 92 92 MET C C 177.571 0.5 1 709 92 92 MET CA C 58.815 0.5 1 710 92 92 MET CB C 32.01 0.5 1 711 92 92 MET N N 113.73 0.5 1 712 93 93 ASN H H 8.576 0.05 1 713 93 93 ASN HA H 4.749 0.05 1 714 93 93 ASN HB2 H 2.971 0.05 1 715 93 93 ASN HB3 H 2.971 0.05 1 716 93 93 ASN C C 176.3 0.5 1 717 93 93 ASN CA C 55.193 0.5 1 718 93 93 ASN CB C 39.426 0.5 1 719 93 93 ASN N N 115.175 0.5 1 720 94 94 ASN H H 8.049 0.05 1 721 94 94 ASN HA H 5.191 0.05 1 722 94 94 ASN C C 177.23 0.5 1 723 94 94 ASN CA C 52.631 0.5 1 724 94 94 ASN CB C 38.093 0.5 1 725 94 94 ASN N N 119.005 0.5 1 726 95 95 MET H H 7.489 0.05 1 727 95 95 MET HA H 4.048 0.05 1 728 95 95 MET HB2 H 1.911 0.05 1 729 95 95 MET HB3 H 1.911 0.05 1 730 95 95 MET HG2 H 2.75 0.05 1 731 95 95 MET HG3 H 2.75 0.05 1 732 95 95 MET C C 178.005 0.5 1 733 95 95 MET CA C 58.275 0.5 1 734 95 95 MET CB C 32.327 0.5 1 735 95 95 MET N N 117.771 0.5 1 736 96 96 ASP H H 7.777 0.05 1 737 96 96 ASP HA H 4.603 0.05 1 738 96 96 ASP HB2 H 2.563 0.05 1 739 96 96 ASP HB3 H 2.563 0.05 1 740 96 96 ASP C C 175.593 0.5 1 741 96 96 ASP CA C 54.94 0.5 1 742 96 96 ASP CB C 39.445 0.5 1 743 96 96 ASP N N 115.629 0.5 1 744 97 97 LEU H H 8.027 0.05 1 745 97 97 LEU HA H 4.617 0.05 1 746 97 97 LEU HB2 H 2.7 0.05 1 747 97 97 LEU HB3 H 2.7 0.05 1 748 97 97 LEU C C 174.835 0.5 1 749 97 97 LEU CA C 54.433 0.5 1 750 97 97 LEU CB C 39.082 0.5 1 751 97 97 LEU N N 116.343 0.5 1 752 98 98 LEU H H 7.798 0.05 1 753 98 98 LEU HA H 3.364 0.05 1 754 98 98 LEU HB2 H 1.41 0.05 1 755 98 98 LEU HB3 H 1.41 0.05 1 756 98 98 LEU HD1 H 0.312 0.05 2 757 98 98 LEU C C 177.586 0.5 1 758 98 98 LEU CA C 57.219 0.5 1 759 98 98 LEU CB C 39.1 0.5 1 760 98 98 LEU CG C 25.003 0.5 1 761 98 98 LEU N N 118.769 0.5 1 762 99 99 LYS H H 7.603 0.05 1 763 99 99 LYS HA H 3.416 0.05 1 764 99 99 LYS HB2 H 1.783 0.05 1 765 99 99 LYS HB3 H 1.783 0.05 1 766 99 99 LYS C C 177.639 0.5 1 767 99 99 LYS CA C 60.833 0.5 1 768 99 99 LYS CB C 32.044 0.5 1 769 99 99 LYS CG C 26.466 0.5 1 770 99 99 LYS CD C 29.51 0.5 1 771 99 99 LYS N N 117.567 0.5 1 772 100 100 GLN H H 7.625 0.05 1 773 100 100 GLN HA H 3.812 0.05 1 774 100 100 GLN HB2 H 2.127 0.05 1 775 100 100 GLN HB3 H 2.127 0.05 1 776 100 100 GLN C C 178.165 0.5 1 777 100 100 GLN CA C 58.784 0.5 1 778 100 100 GLN CB C 27.483 0.5 1 779 100 100 GLN CG C 33.784 0.5 1 780 100 100 GLN N N 114.564 0.5 1 781 101 101 ALA H H 7.355 0.05 1 782 101 101 ALA HA H 3.288 0.05 1 783 101 101 ALA HB H 1.341 0.05 1 784 101 101 ALA C C 178.865 0.5 1 785 101 101 ALA CA C 54.964 0.5 1 786 101 101 ALA CB C 17.861 0.5 1 787 101 101 ALA N N 121.499 0.5 1 788 102 102 LEU H H 7.941 0.05 1 789 102 102 LEU HA H 4.766 0.05 1 790 102 102 LEU HB2 H 2.726 0.05 1 791 102 102 LEU HB3 H 2.726 0.05 1 792 102 102 LEU HD1 H 0.897 0.05 2 793 102 102 LEU C C 179.324 0.5 1 794 102 102 LEU CA C 57.496 0.5 1 795 102 102 LEU CB C 41.728 0.5 1 796 102 102 LEU N N 115.061 0.5 1 797 103 103 LEU H H 8.266 0.05 1 798 103 103 LEU HA H 4.837 0.05 1 799 103 103 LEU HG H 1.554 0.05 1 800 103 103 LEU HD1 H 0.655 0.05 2 801 103 103 LEU C C 178.5 0.5 1 802 103 103 LEU CA C 54.889 0.5 1 803 103 103 LEU CB C 43.766 0.5 1 804 103 103 LEU N N 115.92 0.5 1 805 105 105 LEU HA H 4.635 0.05 1 806 105 105 LEU HB2 H 2.843 0.05 1 807 105 105 LEU HB3 H 2.843 0.05 1 808 105 105 LEU HD1 H 0.958 0.05 2 809 105 105 LEU C C 175.743 0.5 1 810 105 105 LEU CA C 58.097 0.5 1 811 105 105 LEU CB C 38.778 0.5 1 812 106 106 HIS H H 8.252 0.05 1 813 106 106 HIS HA H 4.266 0.05 1 814 106 106 HIS HB2 H 2.272 0.05 2 815 106 106 HIS HB3 H 1.911 0.05 2 816 106 106 HIS CA C 57.114 0.5 1 817 106 106 HIS CB C 30.125 0.5 1 818 106 106 HIS N N 122.167 0.5 1 819 107 107 ASN C C 179.694 0.5 1 820 107 107 ASN CA C 58.331 0.5 1 821 107 107 ASN CB C 41.997 0.5 1 822 108 108 ASP H H 8.174 0.05 1 823 108 108 ASP C C 179.328 0.5 1 824 108 108 ASP CA C 57.689 0.5 1 825 108 108 ASP CB C 42.04 0.5 1 826 108 108 ASP N N 122.462 0.5 1 827 109 109 LEU H H 8.38 0.05 1 828 109 109 LEU HA H 4.852 0.05 1 829 109 109 LEU HB2 H 1.54 0.05 1 830 109 109 LEU HB3 H 1.54 0.05 1 831 109 109 LEU HD1 H 0.559 0.05 2 832 109 109 LEU C C 178.51 0.5 1 833 109 109 LEU CA C 55.154 0.5 1 834 109 109 LEU CB C 44.148 0.5 1 835 109 109 LEU CG C 26.466 0.5 1 836 109 109 LEU CD1 C 24.007 0.5 1 837 109 109 LEU N N 115.664 0.5 1 838 110 110 HIS H H 8.518 0.05 1 839 110 110 HIS HA H 3.91 0.05 1 840 110 110 HIS C C 176.152 0.5 1 841 110 110 HIS CA C 61.012 0.5 1 842 110 110 HIS CB C 28.112 0.5 1 843 110 110 HIS N N 118.905 0.5 1 844 111 111 GLU H H 8.018 0.05 1 845 111 111 GLU HA H 3.731 0.05 1 846 111 111 GLU C C 176.596 0.5 1 847 111 111 GLU CA C 58.394 0.5 1 848 111 111 GLU CB C 29.044 0.5 1 849 111 111 GLU CG C 36.126 0.5 1 850 111 111 GLU N N 117.923 0.5 1 851 112 112 TYR H H 7.905 0.05 1 852 112 112 TYR HA H 4.437 0.05 1 853 112 112 TYR HB2 H 3.245 0.05 2 854 112 112 TYR HB3 H 2.521 0.05 2 855 112 112 TYR HD1 H 6.959 0.05 1 856 112 112 TYR HD2 H 6.959 0.05 1 857 112 112 TYR C C 174.448 0.5 1 858 112 112 TYR CA C 57.772 0.5 1 859 112 112 TYR CB C 39.987 0.5 1 860 112 112 TYR N N 114.607 0.5 1 861 113 113 VAL H H 6.976 0.05 1 862 113 113 VAL HA H 4.106 0.05 1 863 113 113 VAL HB H 1.684 0.05 1 864 113 113 VAL HG1 H 0.623 0.05 2 865 113 113 VAL C C 175.134 0.5 1 866 113 113 VAL CA C 62.687 0.5 1 867 113 113 VAL CB C 34.228 0.5 1 868 113 113 VAL CG1 C 22.565 0.5 1 869 113 113 VAL N N 118.003 0.5 1 870 114 114 GLU H H 9.461 0.05 1 871 114 114 GLU HA H 4.494 0.05 1 872 114 114 GLU HB2 H 2.062 0.05 2 873 114 114 GLU HB3 H 1.752 0.05 2 874 114 114 GLU C C 175.879 0.5 1 875 114 114 GLU CA C 56.88 0.5 1 876 114 114 GLU CB C 31.81 0.5 1 877 114 114 GLU N N 125.345 0.5 1 878 122 122 TYR HA H 4.07 0.05 1 879 122 122 TYR HB2 H 2.233 0.05 2 880 122 122 TYR HB3 H 1.779 0.05 2 881 122 122 TYR HD1 H 7.189 0.05 1 882 122 122 TYR HD2 H 7.189 0.05 1 883 122 122 TYR HE1 H 6.782 0.05 1 884 122 122 TYR HE2 H 6.782 0.05 1 885 122 122 TYR C C 175.991 0.5 1 886 122 122 TYR CA C 62.195 0.5 1 887 122 122 TYR CB C 38.307 0.5 1 888 123 123 HIS H H 8.075 0.05 1 889 123 123 HIS HA H 4.203 0.05 1 890 123 123 HIS CA C 56.715 0.5 1 891 123 123 HIS CB C 32.74 0.5 1 892 123 123 HIS N N 124.549 0.5 1 893 124 124 THR HA H 4.274 0.05 1 894 124 124 THR C C 180.323 0.5 1 895 124 124 THR CA C 62.254 0.5 1 896 124 124 THR CB C 70.157 0.5 1 897 125 125 TYR H H 8.112 0.05 1 898 125 125 TYR HA H 4.132 0.05 1 899 125 125 TYR HB2 H 1.835 0.05 1 900 125 125 TYR HB3 H 1.835 0.05 1 901 125 125 TYR HD1 H 7.258 0.05 1 902 125 125 TYR HD2 H 7.258 0.05 1 903 125 125 TYR HE1 H 6.91 0.05 1 904 125 125 TYR HE2 H 6.91 0.05 1 905 125 125 TYR C C 175.172 0.5 1 906 125 125 TYR CA C 61.575 0.5 1 907 125 125 TYR CB C 38.86 0.5 1 908 125 125 TYR N N 121.992 0.5 1 909 126 126 GLU H H 7.835 0.05 1 910 126 126 GLU C C 179.388 0.5 1 911 126 126 GLU CA C 57.106 0.5 1 912 126 126 GLU CB C 30.624 0.5 1 913 126 126 GLU CG C 36.477 0.5 1 914 126 126 GLU N N 127.245 0.5 1 915 127 127 ALA H H 8.091 0.05 1 916 127 127 ALA HA H 4.215 0.05 1 917 127 127 ALA HB H 1.35 0.05 1 918 127 127 ALA C C 177.573 0.5 1 919 127 127 ALA CA C 53.203 0.5 1 920 127 127 ALA CB C 19.267 0.5 1 921 127 127 ALA N N 123.948 0.5 1 922 128 128 ASP H H 8.15 0.05 1 923 128 128 ASP HA H 4.531 0.05 1 924 128 128 ASP HB2 H 2.628 0.05 1 925 128 128 ASP HB3 H 2.628 0.05 1 926 128 128 ASP C C 176.104 0.5 1 927 128 128 ASP CA C 55.037 0.5 1 928 128 128 ASP CB C 41.123 0.5 1 929 128 128 ASP N N 118.462 0.5 1 930 129 129 TYR H H 7.813 0.05 1 931 129 129 TYR HA H 4.508 0.05 1 932 129 129 TYR HB2 H 2.993 0.05 1 933 129 129 TYR HB3 H 2.993 0.05 1 934 129 129 TYR HD1 H 7.023 0.05 1 935 129 129 TYR HD2 H 7.023 0.05 1 936 129 129 TYR HE1 H 6.764 0.05 1 937 129 129 TYR HE2 H 6.764 0.05 1 938 129 129 TYR C C 175.625 0.5 1 939 129 129 TYR CA C 58.296 0.5 1 940 129 129 TYR CB C 38.684 0.5 1 941 129 129 TYR N N 119.646 0.5 1 942 130 130 ILE H H 7.802 0.05 1 943 130 130 ILE HA H 4.215 0.05 1 944 130 130 ILE C C 176.159 0.5 1 945 130 130 ILE CA C 61.477 0.5 1 946 130 130 ILE CB C 38.528 0.5 1 947 130 130 ILE CG1 C 27.461 0.5 1 948 130 130 ILE CG2 C 17.216 0.5 1 949 130 130 ILE N N 122.284 0.5 1 950 131 131 LYS H H 8.053 0.05 1 951 131 131 LYS HA H 4.222 0.05 1 952 131 131 LYS HB2 H 1.807 0.05 1 953 131 131 LYS HB3 H 1.807 0.05 1 954 131 131 LYS C C 176.825 0.5 1 955 131 131 LYS CA C 56.93 0.5 1 956 131 131 LYS CB C 33.161 0.5 1 957 131 131 LYS CG C 24.768 0.5 1 958 131 131 LYS CD C 29.628 0.5 1 959 131 131 LYS CE C 42.097 0.5 1 960 131 131 LYS N N 123.816 0.5 1 961 132 132 GLU H H 8.296 0.05 1 962 132 132 GLU HA H 4.252 0.05 1 963 132 132 GLU C C 175.827 0.5 1 964 132 132 GLU CA C 56.962 0.5 1 965 132 132 GLU CB C 29.768 0.5 1 966 132 132 GLU N N 121.558 0.5 1 967 133 133 GLN H H 8.259 0.05 1 968 133 133 GLN HA H 4.249 0.05 1 969 133 133 GLN C C 176.708 0.5 1 970 133 133 GLN CA C 56.592 0.5 1 971 133 133 GLN CB C 29.645 0.5 1 972 133 133 GLN CG C 34.194 0.5 1 973 133 133 GLN N N 121.031 0.5 1 974 134 134 ASP H H 8.253 0.05 1 975 134 134 ASP HA H 4.632 0.05 1 976 134 134 ASP HB2 H 2.698 0.05 1 977 134 134 ASP HB3 H 2.698 0.05 1 978 134 134 ASP C C 176.386 0.5 1 979 134 134 ASP CA C 54.97 0.5 1 980 134 134 ASP CB C 41.436 0.5 1 981 134 134 ASP N N 120.377 0.5 1 982 135 135 SER H H 8.163 0.05 1 983 135 135 SER HA H 4.6 0.05 1 984 135 135 SER HB2 H 3.908 0.05 1 985 135 135 SER HB3 H 3.908 0.05 1 986 135 135 SER C C 173.577 0.5 1 987 135 135 SER CA C 58.608 0.5 1 988 135 135 SER CB C 64.19 0.5 1 989 135 135 SER N N 115.471 0.5 1 990 136 136 VAL H H 7.66 0.05 1 991 136 136 VAL HA H 3.99 0.05 1 992 136 136 VAL HB H 2.04 0.05 1 993 136 136 VAL HG1 H 0.941 0.05 2 994 136 136 VAL C C 176.182 0.5 1 995 136 136 VAL CA C 63.507 0.5 1 996 136 136 VAL CB C 32.693 0.5 1 997 136 136 VAL CG1 C 20.67 0.5 1 998 136 136 VAL N N 125.328 0.5 1 999 137 137 TYR H H 7.966 0.05 1 1000 137 137 TYR HA H 4.565 0.05 1 1001 137 137 TYR HB2 H 2.646 0.05 1 1002 137 137 TYR HB3 H 2.646 0.05 1 1003 137 137 TYR HD1 H 7.05 0.05 1 1004 137 137 TYR HD2 H 7.05 0.05 1 1005 137 137 TYR HE1 H 6.702 0.05 1 1006 137 137 TYR HE2 H 6.702 0.05 1 1007 137 137 TYR C C 175.508 0.5 1 1008 137 137 TYR CA C 58.238 0.5 1 1009 137 137 TYR CB C 38.782 0.5 1 1010 137 137 TYR N N 121.579 0.5 1 1011 138 138 ASP H H 8.053 0.05 1 1012 138 138 ASP CA C 54.538 0.5 1 1013 138 138 ASP CB C 41.307 0.5 1 1014 138 138 ASP N N 121.53 0.5 1 1015 139 139 ARG HA H 4.344 0.05 1 1016 139 139 ARG HB2 H 1.873 0.05 1 1017 139 139 ARG HB3 H 1.873 0.05 1 1018 139 139 ARG C C 176.255 0.5 1 1019 139 139 ARG CA C 56.048 0.5 1 1020 139 139 ARG CB C 30.581 0.5 1 1021 139 139 ARG CG C 27.052 0.5 1 1022 139 139 ARG CD C 43.444 0.5 1 1023 140 140 SER H H 8.202 0.05 1 1024 140 140 SER HA H 4.305 0.05 1 1025 140 140 SER CA C 56.763 0.5 1 1026 140 140 SER CB C 63.437 0.5 1 1027 140 140 SER N N 117.321 0.5 1 1028 142 142 LYS C C 175.86 0.5 1 1029 142 142 LYS CA C 56.575 0.5 1 1030 142 142 LYS CB C 33.099 0.5 1 1031 142 142 LYS CG C 24.768 0.5 1 1032 142 142 LYS CD C 29.569 0.5 1 1033 142 142 LYS CE C 41.805 0.5 1 1034 143 143 LYS H H 8.15 0.05 1 1035 143 143 LYS HA H 4.317 0.05 1 1036 143 143 LYS HB2 H 1.822 0.05 1 1037 143 143 LYS HB3 H 1.822 0.05 1 1038 143 143 LYS C C 175.552 0.5 1 1039 143 143 LYS CA C 56.833 0.5 1 1040 143 143 LYS CB C 33.142 0.5 1 1041 143 143 LYS CG C 24.768 0.5 1 1042 143 143 LYS CD C 29.101 0.5 1 1043 143 143 LYS CE C 42.273 0.5 1 1044 143 143 LYS N N 121.435 0.5 1 1045 144 144 LYS H H 7.887 0.05 1 1046 144 144 LYS C C 181.245 0.5 1 1047 144 144 LYS CA C 57.788 0.5 1 1048 144 144 LYS CB C 33.609 0.5 1 1049 144 144 LYS N N 128.243 0.5 1 1050 145 145 TYR HA H 4.561 0.05 1 1051 145 145 TYR HB2 H 2.987 0.05 1 1052 145 145 TYR HB3 H 2.987 0.05 1 1053 145 145 TYR HD1 H 7.023 0.05 1 1054 145 145 TYR HD2 H 7.023 0.05 1 1055 145 145 TYR HE1 H 6.743 0.05 1 1056 145 145 TYR HE2 H 6.743 0.05 1 1057 145 145 TYR C C 175.201 0.5 1 1058 145 145 TYR CA C 57.804 0.5 1 1059 145 145 TYR CB C 38.778 0.5 1 1060 146 146 ILE H H 7.914 0.05 1 1061 146 146 ILE HA H 4.061 0.05 1 1062 146 146 ILE HB H 1.779 0.05 1 1063 146 146 ILE C C 175.43 0.5 1 1064 146 146 ILE CA C 60.853 0.5 1 1065 146 146 ILE CB C 39.016 0.5 1 1066 146 146 ILE CG1 C 27.227 0.5 1 1067 146 146 ILE CD1 C 17.216 0.5 1 1068 146 146 ILE N N 123.473 0.5 1 1069 147 147 LYS H H 8.186 0.05 1 1070 147 147 LYS HA H 4.274 0.05 1 1071 147 147 LYS HB2 H 1.785 0.05 1 1072 147 147 LYS HB3 H 1.785 0.05 1 1073 147 147 LYS C C 175.743 0.5 1 1074 147 147 LYS CA C 56.403 0.5 1 1075 147 147 LYS CB C 33.161 0.5 1 1076 147 147 LYS CG C 24.768 0.5 1 1077 147 147 LYS CD C 29.335 0.5 1 1078 147 147 LYS CE C 41.922 0.5 1 1079 147 147 LYS N N 126.191 0.5 1 1080 148 148 ALA H H 8.321 0.05 1 1081 148 148 ALA HA H 4.354 0.05 1 1082 148 148 ALA C C 176.738 0.5 1 1083 148 148 ALA CA C 52.754 0.5 1 1084 148 148 ALA CB C 19.501 0.5 1 1085 148 148 ALA N N 127.131 0.5 1 1086 149 149 SER H H 7.836 0.05 1 1087 149 149 SER CA C 59.866 0.5 1 1088 149 149 SER CB C 64.959 0.5 1 1089 149 149 SER N N 120.767 . 1 stop_ save_