data_17616 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone Resonance assignment of 1H, 13C, 15N for P2 of plasmodium falciparum in 9M urea. ; _BMRB_accession_number 17616 _BMRB_flat_file_name bmr17616.str _Entry_type original _Submission_date 2011-05-02 _Accession_date 2011-05-02 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'participating in translation mechanism' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Mishra Pushpa . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 470 "13C chemical shifts" 342 "15N chemical shifts" 124 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2012-05-09 original author . stop_ _Original_release_date 2012-05-09 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title 'NMR Insights into Folding and Self-Association of Plasmodium falciparum P2.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 22567147 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Mishra Pushpa . . 2 Das Sudipta . . 3 Panicker Lata . . 4 Hosur Madhusoodan V. . 5 Sharma Shobhona . . 6 Hosur Ramakrishna V. . stop_ _Journal_abbreviation 'PLoS ONE' _Journal_name_full 'PloS one' _Journal_volume 7 _Journal_issue 5 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year 2012 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'plasmodium falciparum ribosomal lateral stalk' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label P2 $plasmodium_falciparum_p2 stop_ _System_molecular_weight . _System_physical_state 'intrinsically disordered' _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . loop_ _Biological_function 'Act as GTPase function' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_plasmodium_falciparum_p2 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common plasmodium_falciparum_p2 _Molecular_mass 15664.3 _Mol_thiol_state 'all free' loop_ _Biological_function 'Ribosomal stalk protein involved in binding of elongation factors during the course of protein synthesis.' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 142 _Mol_residue_sequence ; MSYYHHHHHHDYDIPTTENL YFQGAMDPEFMAMKYVAAYL MCVLGGNENPSTKEVKNVLG AVNADVEDEVLNNFIDSLKG KSCHELITDGLKKLQNIGGG VAAAPAGAAAVETAEAKKED KKEEKKEEEEEEEDDLGFSL FG ; loop_ _Residue_seq_code _Residue_label 1 MET 2 SER 3 TYR 4 TYR 5 HIS 6 HIS 7 HIS 8 HIS 9 HIS 10 HIS 11 ASP 12 TYR 13 ASP 14 ILE 15 PRO 16 THR 17 THR 18 GLU 19 ASN 20 LEU 21 TYR 22 PHE 23 GLN 24 GLY 25 ALA 26 MET 27 ASP 28 PRO 29 GLU 30 PHE 31 MET 32 ALA 33 MET 34 LYS 35 TYR 36 VAL 37 ALA 38 ALA 39 TYR 40 LEU 41 MET 42 CYS 43 VAL 44 LEU 45 GLY 46 GLY 47 ASN 48 GLU 49 ASN 50 PRO 51 SER 52 THR 53 LYS 54 GLU 55 VAL 56 LYS 57 ASN 58 VAL 59 LEU 60 GLY 61 ALA 62 VAL 63 ASN 64 ALA 65 ASP 66 VAL 67 GLU 68 ASP 69 GLU 70 VAL 71 LEU 72 ASN 73 ASN 74 PHE 75 ILE 76 ASP 77 SER 78 LEU 79 LYS 80 GLY 81 LYS 82 SER 83 CYS 84 HIS 85 GLU 86 LEU 87 ILE 88 THR 89 ASP 90 GLY 91 LEU 92 LYS 93 LYS 94 LEU 95 GLN 96 ASN 97 ILE 98 GLY 99 GLY 100 GLY 101 VAL 102 ALA 103 ALA 104 ALA 105 PRO 106 ALA 107 GLY 108 ALA 109 ALA 110 ALA 111 VAL 112 GLU 113 THR 114 ALA 115 GLU 116 ALA 117 LYS 118 LYS 119 GLU 120 ASP 121 LYS 122 LYS 123 GLU 124 GLU 125 LYS 126 LYS 127 GLU 128 GLU 129 GLU 130 GLU 131 GLU 132 GLU 133 GLU 134 ASP 135 ASP 136 LEU 137 GLY 138 PHE 139 SER 140 LEU 141 PHE 142 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-08 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 EMBL CAB11115 "60S Acidic ribosomal protein P2, putative [Plasmodium falciparum 3D7]" 78.87 112 100.00 100.00 9.24e-71 EMBL CDO62522 "60S acidic ribosomal protein P2, putative [Plasmodium reichenowi]" 78.87 112 99.11 99.11 3.77e-70 GB AAB51131 "ribosomal P2 phosphoprotein [Plasmodium falciparum]" 78.87 112 100.00 100.00 9.24e-71 GB AAF15361 "ribosomal P2 phosphoprotein [Plasmodium falciparum]" 78.87 112 100.00 100.00 9.24e-71 GB ETW20710 "60S acidic ribosomal protein P2 [Plasmodium falciparum Vietnam Oak-Knoll (FVO)]" 78.87 112 100.00 100.00 9.24e-71 GB ETW38756 "60S acidic ribosomal protein P2 [Plasmodium falciparum Tanzania (2000708)]" 78.87 112 100.00 100.00 9.24e-71 GB ETW45178 "60S acidic ribosomal protein P2 [Plasmodium falciparum NF135/5.C10]" 78.87 112 100.00 100.00 9.24e-71 REF XP_001351169 "60S Acidic ribosomal protein P2, putative [Plasmodium falciparum 3D7]" 78.87 112 100.00 100.00 9.24e-71 REF XP_012761169 "60S acidic ribosomal protein P2, putative [Plasmodium reichenowi]" 78.87 112 99.11 99.11 3.77e-70 SP O00806 "RecName: Full=60S acidic ribosomal protein P2" 78.87 112 100.00 100.00 9.24e-71 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $plasmodium_falciparum_p2 'Malaria Parasite' 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 $plasmodium_falciparum_p2 'recombinant technology' . Escherichia coli . 'pPRO EXHTA' stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details ; 9M urea in 0.1 M MES buffer containing 150mM NaCl, 5mM DTT ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $plasmodium_falciparum_p2 1 mM '[U-99% 15N]' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' Urea 9 M 'natural abundance' 'MES Buffer' 0.1 M 'natural abundance' NaCl 150 mM 'natural abundance' DTT 5 mM 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details 'same as sample 1' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $plasmodium_falciparum_p2 1 mM '[U-99% 13C; U-99% 15N]' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' Urea 9 M 'natural abundance' 'MES Buffer' 0.1 M 'natural abundance' NaCl 150 mM 'natural abundance' DTT 5 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version 2.0 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ save_CARA _Saveframe_category software _Name CARA _Version 1.9.1 loop_ _Vendor _Address _Electronic_address 'Keller and Wuthrich' . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' 'peak picking' stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_2 save_ save_3D_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_2 save_ save_3D_HNCA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_2 save_ save_3D_HNCO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_2 save_ save_3D_HN(CA)CO_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $sample_2 save_ save_3D_HNN_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNN' _Sample_label $sample_2 save_ save_3D_HN(C)N_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(C)N' _Sample_label $sample_2 save_ save_3D_HNCAN_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCAN' _Sample_label $sample_2 save_ save_3D_HSQC-TOCSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HSQC-TOCSY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 5.6 . pH pressure 1 . atm temperature 300 . 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 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 . 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 HNCACB' '3D HNCA' '3D HNCO' '3D HN(CA)CO' '3D HNN' '3D HN(C)N' '3D HNCAN' '3D HSQC-TOCSY' stop_ loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name P2 _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 2 2 SER H H 8.706 0.02 1 2 2 2 SER HA H 4.554 0.02 1 3 2 2 SER HB2 H 3.981 0.02 1 4 2 2 SER HB3 H 3.981 0.02 1 5 2 2 SER C C 175.313 0.3 1 6 2 2 SER CA C 58.377 0.3 1 7 2 2 SER CB C 63.818 0.3 1 8 2 2 SER N N 115.425 0.3 1 9 3 3 TYR H H 8.421 0.02 1 10 3 3 TYR HA H 4.43 0.02 1 11 3 3 TYR C C 174.463 0.3 1 12 3 3 TYR CA C 61.436 0.3 1 13 3 3 TYR CB C 46.003 0.3 1 14 3 3 TYR N N 116.14 0.3 1 15 10 10 HIS H H 8.785 0.02 1 16 10 10 HIS HA H 4.702 0.02 1 17 10 10 HIS C C 173.923 0.3 1 18 10 10 HIS CA C 55.156 0.3 1 19 10 10 HIS CB C 29.208 0.3 1 20 10 10 HIS N N 121.049 0.3 1 21 11 11 ASP H H 8.662 0.02 1 22 11 11 ASP HA H 4.626 0.02 1 23 11 11 ASP HB2 H 2.684 0.02 1 24 11 11 ASP C C 175.684 0.3 1 25 11 11 ASP CA C 54.414 0.3 1 26 11 11 ASP CB C 40.839 0.3 1 27 11 11 ASP N N 122.745 0.3 1 28 12 12 TYR H H 8.183 0.02 1 29 12 12 TYR HA H 4.613 0.02 1 30 12 12 TYR HB2 H 2.963 0.02 1 31 12 12 TYR HB3 H 2.963 0.02 1 32 12 12 TYR C C 175.268 0.3 1 33 12 12 TYR CA C 57.617 0.3 1 34 12 12 TYR CB C 38.444 0.3 1 35 12 12 TYR N N 119.119 0.3 1 36 13 13 ASP H H 8.41 0.02 1 37 13 13 ASP HA H 4.676 0.02 1 38 13 13 ASP HB2 H 2.684 0.02 1 39 13 13 ASP CA C 54.259 0.3 1 40 13 13 ASP CB C 40.854 0.3 1 41 13 13 ASP N N 121.57 0.3 1 42 16 16 THR H H 8.359 0.02 1 43 16 16 THR HA H 4.468 0.02 1 44 16 16 THR HB H 4.3 0.02 1 45 16 16 THR HG2 H 1.283 0.02 1 46 16 16 THR C C 174.86 0.3 1 47 16 16 THR CA C 61.492 0.3 1 48 16 16 THR CB C 69.532 0.3 1 49 16 16 THR N N 114.396 0.3 1 50 17 17 THR H H 8.172 0.02 1 51 17 17 THR HA H 4.39 0.02 1 52 17 17 THR HG2 H 1.244 0.02 1 53 17 17 THR C C 174.601 0.3 1 54 17 17 THR CA C 61.576 0.3 1 55 17 17 THR CB C 69.405 0.3 1 56 17 17 THR N N 114.944 0.3 1 57 18 18 GLU H H 8.445 0.02 1 58 18 18 GLU HA H 4.334 0.02 1 59 18 18 GLU HB2 H 2.29 0.02 1 60 18 18 GLU HB3 H 2.29 0.02 2 61 18 18 GLU C C 175.82 0.3 1 62 18 18 GLU CA C 56.123 0.3 1 63 18 18 GLU CB C 30.018 0.3 1 64 18 18 GLU N N 122.714 0.3 1 65 19 19 ASN H H 8.515 0.02 1 66 19 19 ASN HA H 4.712 0.02 1 67 19 19 ASN HB2 H 2.777 0.02 1 68 19 19 ASN C C 174.941 0.3 1 69 19 19 ASN CA C 53.183 0.3 1 70 19 19 ASN CB C 38.487 0.3 1 71 19 19 ASN N N 119.907 0.3 1 72 20 20 LEU H H 8.222 0.02 1 73 20 20 LEU HA H 4.258 0.02 1 74 20 20 LEU HB2 H 1.516 0.02 1 75 20 20 LEU HB3 H 1.516 0.02 1 76 20 20 LEU C C 176.713 0.3 1 77 20 20 LEU CA C 55.075 0.3 1 78 20 20 LEU CB C 42.184 0.3 1 79 20 20 LEU N N 122.736 0.3 1 80 21 21 TYR H H 8.215 0.02 1 81 21 21 TYR HA H 4.56 0.02 1 82 21 21 TYR HB2 H 3 0.02 1 83 21 21 TYR HB3 H 3 0.02 2 84 21 21 TYR C C 175.349 0.3 1 85 21 21 TYR CA C 57.773 0.3 1 86 21 21 TYR CB C 38.603 0.3 1 87 21 21 TYR N N 120.288 0.3 1 88 22 22 PHE H H 8.207 0.02 1 89 22 22 PHE HA H 4.618 0.02 1 90 22 22 PHE HB2 H 3.067 0.02 1 91 22 22 PHE C C 175.242 0.3 1 92 22 22 PHE CA C 57.643 0.3 1 93 22 22 PHE CB C 39.527 0.3 1 94 22 22 PHE N N 122.148 0.3 1 95 23 23 GLN H H 8.397 0.02 1 96 23 23 GLN HA H 4.3 0.02 1 97 23 23 GLN HB2 H 2.332 0.02 1 98 23 23 GLN HB3 H 2.332 0.02 1 99 23 23 GLN C C 175.848 0.3 1 100 23 23 GLN CA C 55.871 0.3 1 101 23 23 GLN CB C 29.195 0.3 1 102 23 23 GLN N N 122.918 0.3 1 103 24 24 GLY H H 7.931 0.02 1 104 24 24 GLY HA2 H 3.922 0.02 1 105 24 24 GLY HA3 H 3.922 0.02 1 106 24 24 GLY C C 173.354 0.3 1 107 24 24 GLY CA C 44.837 0.3 1 108 24 24 GLY N N 109.605 0.3 1 109 25 25 ALA H H 8.183 0.02 1 110 25 25 ALA HA H 4.334 0.02 1 111 25 25 ALA HB H 1.408 0.02 1 112 25 25 ALA C C 177.493 0.3 1 113 25 25 ALA CA C 52.215 0.3 1 114 25 25 ALA CB C 19.006 0.3 1 115 25 25 ALA N N 123.337 0.3 1 116 26 26 MET H H 8.392 0.02 1 117 26 26 MET HA H 4.485 0.02 1 118 26 26 MET HB2 H 1.998 0.02 1 119 26 26 MET C C 175.551 0.3 1 120 26 26 MET CA C 54.826 0.3 1 121 26 26 MET CB C 32.974 0.3 1 122 26 26 MET N N 119.346 0.3 1 123 27 27 ASP H H 8.43 0.02 1 124 27 27 ASP HA H 4.867 0.02 1 125 27 27 ASP CA C 52.457 0.3 1 126 27 27 ASP CB C 40.802 0.3 1 127 27 27 ASP N N 122.997 0.3 1 128 29 29 GLU H H 8.593 0.02 1 129 29 29 GLU HA H 4.188 0.02 1 130 29 29 GLU HB2 H 1.943 0.02 1 131 29 29 GLU HB3 H 2.204 0.02 2 132 29 29 GLU C C 176.483 0.3 1 133 29 29 GLU CA C 57.071 0.3 1 134 29 29 GLU CB C 29.222 0.3 1 135 29 29 GLU N N 119.405 0.3 1 136 30 30 PHE H H 8.034 0.02 1 137 30 30 PHE HA H 4.618 0.02 1 138 30 30 PHE HB2 H 3.147 0.02 1 139 30 30 PHE HB3 H 3.147 0.02 2 140 30 30 PHE C C 175.721 0.3 1 141 30 30 PHE CA C 57.64 0.3 1 142 30 30 PHE CB C 39.416 0.3 1 143 30 30 PHE N N 119.888 0.3 1 144 31 31 MET H H 8.132 0.02 1 145 31 31 MET HB2 H 1.976 0.02 1 146 31 31 MET C C 175.491 0.3 1 147 31 31 MET CA C 55.458 0.3 1 148 31 31 MET CB C 32.653 0.3 1 149 31 31 MET N N 121.669 0.3 1 150 32 32 ALA H H 8.173 0.02 1 151 32 32 ALA HA H 4.277 0.02 1 152 32 32 ALA HB H 1.436 0.02 1 153 32 32 ALA C C 177.589 0.3 1 154 32 32 ALA CA C 52.333 0.3 1 155 32 32 ALA CB C 18.759 0.3 1 156 32 32 ALA N N 124.703 0.3 1 157 33 33 MET H H 8.314 0.02 1 158 33 33 MET HA H 4.425 0.02 1 159 33 33 MET HB2 H 2.006 0.02 1 160 33 33 MET C C 175.987 0.3 1 161 33 33 MET CA C 55.599 0.3 1 162 33 33 MET CB C 32.463 0.3 1 163 33 33 MET N N 119.502 0.3 1 164 34 34 LYS H H 8.333 0.02 1 165 34 34 LYS HA H 4.298 0.02 1 166 34 34 LYS HB2 H 1.691 0.02 1 167 34 34 LYS C C 175.962 0.3 1 168 34 34 LYS CA C 56.474 0.3 1 169 34 34 LYS N N 122.462 0.3 1 170 35 35 TYR H H 8.314 0.02 1 171 35 35 TYR HA H 4.6 0.02 1 172 35 35 TYR HB2 H 2.988 0.02 1 173 35 35 TYR C C 175.331 0.3 1 174 35 35 TYR CA C 57.808 0.3 1 175 35 35 TYR CB C 38.714 0.3 1 176 35 35 TYR N N 121.766 0.3 1 177 36 36 VAL H H 8.138 0.02 1 178 36 36 VAL HA H 4.067 0.02 1 179 36 36 VAL HB H 1.605 0.02 1 180 36 36 VAL HG1 H 0.907 0.02 1 181 36 36 VAL HG2 H 0.907 0.02 1 182 36 36 VAL C C 175.207 0.3 1 183 36 36 VAL CA C 61.438 0.3 1 184 36 36 VAL N N 123.623 0.3 1 185 37 37 ALA H H 8.293 0.02 1 186 37 37 ALA HA H 4.229 0.02 1 187 37 37 ALA HB H 1.36 0.02 1 188 37 37 ALA C C 177.199 0.3 1 189 37 37 ALA CA C 52.352 0.3 1 190 37 37 ALA CB C 18.766 0.3 1 191 37 37 ALA N N 128.074 0.3 1 192 38 38 ALA H H 8.243 0.02 1 193 38 38 ALA HA H 4.259 0.02 1 194 38 38 ALA HB H 1.38 0.02 1 195 38 38 ALA C C 177.369 0.3 1 196 38 38 ALA CA C 52.697 0.3 1 197 38 38 ALA CB C 18.744 0.3 1 198 38 38 ALA N N 123.16 0.3 1 199 39 39 TYR H H 8.026 0.02 1 200 39 39 TYR HA H 4.588 0.02 1 201 39 39 TYR HB2 H 3.039 0.02 1 202 39 39 TYR HB3 H 3.039 0.02 1 203 39 39 TYR C C 175.42 0.3 1 204 39 39 TYR CA C 57.332 0.3 1 205 39 39 TYR CB C 38.27 0.3 1 206 39 39 TYR N N 118.383 0.3 1 207 40 40 LEU H H 8.131 0.02 1 208 40 40 LEU HA H 4.359 0.02 1 209 40 40 LEU HB2 H 1.605 0.02 2 210 40 40 LEU HB3 H 1.605 0.02 1 211 40 40 LEU CA C 54.604 0.3 1 212 40 40 LEU N N 123.577 0.3 1 213 41 41 MET H H 8.388 0.02 1 214 41 41 MET HA H 4.308 0.02 1 215 41 41 MET CA C 56.649 0.3 1 216 41 41 MET CB C 29.664 0.3 1 217 41 41 MET N N 121.186 0.3 1 218 42 42 CYS H H 8.447 0.02 1 219 42 42 CYS HA H 4.651 0.02 1 220 42 42 CYS HB2 H 2.95 0.02 1 221 42 42 CYS C C 174.268 0.3 1 222 42 42 CYS CA C 58.211 0.3 1 223 42 42 CYS CB C 27.74 0.3 1 224 42 42 CYS N N 120.756 0.3 1 225 43 43 VAL H H 8.362 0.02 1 226 43 43 VAL HA H 4.156 0.02 1 227 43 43 VAL HB H 2.087 0.02 1 228 43 43 VAL HG1 H 0.958 0.02 1 229 43 43 VAL HG2 H 0.958 0.02 1 230 43 43 VAL C C 175.963 0.3 1 231 43 43 VAL CA C 61.91 0.3 1 232 43 43 VAL N N 123.04 0.3 1 233 44 44 LEU H H 8.444 0.02 1 234 44 44 LEU HA H 4.439 0.02 1 235 44 44 LEU HB2 H 1.685 0.02 1 236 44 44 LEU HB3 H 1.685 0.02 1 237 44 44 LEU C C 177.554 0.3 1 238 44 44 LEU CA C 55.072 0.3 1 239 44 44 LEU CB C 42.16 0.3 1 240 44 44 LEU N N 126.308 0.3 1 241 45 45 GLY H H 8.49 0.02 1 242 45 45 GLY HA2 H 4.034 0.02 1 243 45 45 GLY HA3 H 4.034 0.02 1 244 45 45 GLY C C 174.384 0.3 1 245 45 45 GLY CA C 45.197 0.3 1 246 45 45 GLY N N 109.983 0.3 1 247 46 46 GLY H H 8.355 0.02 1 248 46 46 GLY HA2 H 4.029 0.02 1 249 46 46 GLY HA3 H 4.029 0.02 1 250 46 46 GLY C C 173.843 0.3 1 251 46 46 GLY CA C 45.229 0.3 1 252 46 46 GLY N N 108.515 0.3 1 253 47 47 ASN H H 8.476 0.02 1 254 47 47 ASN HA H 4.772 0.02 1 255 47 47 ASN HB2 H 2.849 0.02 1 256 47 47 ASN HB3 H 2.849 0.02 2 257 47 47 ASN C C 175.048 0.3 1 258 47 47 ASN CA C 53.216 0.3 1 259 47 47 ASN CB C 38.782 0.3 1 260 47 47 ASN N N 118.554 0.3 1 261 48 48 GLU H H 8.543 0.02 1 262 48 48 GLU HA H 4.311 0.02 1 263 48 48 GLU HB2 H 1.964 0.02 1 264 48 48 GLU HG2 H 2.318 0.02 1 265 48 48 GLU HG3 H 2.318 0.02 1 266 48 48 GLU C C 175.827 0.3 1 267 48 48 GLU CA C 56.718 0.3 1 268 48 48 GLU CB C 29.711 0.3 1 269 48 48 GLU N N 120.767 0.3 1 270 49 49 ASN H H 8.559 0.02 1 271 49 49 ASN HA H 5.008 0.02 1 272 49 49 ASN HB2 H 2.726 0.02 1 273 49 49 ASN HB3 H 2.899 0.02 2 274 49 49 ASN CA C 51.346 0.3 1 275 49 49 ASN CB C 38.57 0.3 1 276 49 49 ASN N N 120.343 0.3 1 277 51 51 SER H H 8.503 0.02 1 278 51 51 SER HA H 4.524 0.02 1 279 51 51 SER HB2 H 3.94 0.02 1 280 51 51 SER HB3 H 3.94 0.02 1 281 51 51 SER C C 175.005 0.3 1 282 51 51 SER CA C 58.272 0.3 1 283 51 51 SER CB C 63.865 0.3 1 284 51 51 SER N N 115.736 0.3 1 285 52 52 THR H H 8.193 0.02 1 286 52 52 THR HA H 4.408 0.02 1 287 52 52 THR HG2 H 1.251 0.02 1 288 52 52 THR C C 174.438 0.3 1 289 52 52 THR CA C 61.895 0.3 1 290 52 52 THR CB C 69.443 0.3 1 291 52 52 THR N N 115.493 0.3 1 292 53 53 LYS H H 8.289 0.02 1 293 53 53 LYS HA H 4.363 0.02 1 294 53 53 LYS HB2 H 1.739 0.02 1 295 53 53 LYS HB3 H 1.739 0.02 1 296 53 53 LYS HG2 H 1.425 0.02 1 297 53 53 LYS HG3 H 1.425 0.02 1 298 53 53 LYS C C 176.146 0.3 1 299 53 53 LYS CA C 56.367 0.3 1 300 53 53 LYS CB C 32.841 0.3 1 301 53 53 LYS N N 123.265 0.3 1 302 54 54 GLU H H 8.451 0.02 1 303 54 54 GLU HA H 4.334 0.02 1 304 54 54 GLU HB2 H 2.303 0.02 1 305 54 54 GLU HB3 H 2.303 0.02 2 306 54 54 GLU C C 176.127 0.3 1 307 54 54 GLU CA C 56.403 0.3 1 308 54 54 GLU CB C 29.923 0.3 1 309 54 54 GLU N N 122.505 0.3 1 310 55 55 VAL H H 8.359 0.02 1 311 55 55 VAL HA H 4.157 0.02 1 312 55 55 VAL HB H 2.075 0.02 1 313 55 55 VAL HG1 H 0.958 0.02 1 314 55 55 VAL HG2 H 0.958 0.02 1 315 55 55 VAL C C 175.877 0.3 1 316 55 55 VAL CA C 62.273 0.3 1 317 55 55 VAL CB C 32.383 0.3 1 318 55 55 VAL N N 122.64 0.3 1 319 56 56 LYS H H 8.511 0.02 1 320 56 56 LYS HA H 4.399 0.02 1 321 56 56 LYS HB2 H 1.77 0.02 1 322 56 56 LYS HG2 H 1.44 0.02 1 323 56 56 LYS HG3 H 1.44 0.02 1 324 56 56 LYS C C 175.969 0.3 1 325 56 56 LYS CA C 56.034 0.3 1 326 56 56 LYS CB C 33.111 0.3 1 327 56 56 LYS N N 125.498 0.3 1 328 57 57 ASN H H 8.628 0.02 1 329 57 57 ASN HA H 4.771 0.02 1 330 57 57 ASN HB2 H 2.798 0.02 1 331 57 57 ASN HB3 H 2.798 0.02 1 332 57 57 ASN C C 175.083 0.3 1 333 57 57 ASN CA C 53.093 0.3 1 334 57 57 ASN CB C 38.618 0.3 1 335 57 57 ASN N N 120.907 0.3 1 336 58 58 VAL H H 8.269 0.02 1 337 58 58 VAL HA H 4.165 0.02 1 338 58 58 VAL HB H 2.121 0.02 1 339 58 58 VAL HG1 H 0.959 0.02 1 340 58 58 VAL HG2 H 0.959 0.02 1 341 58 58 VAL C C 175.959 0.3 1 342 58 58 VAL CA C 62.374 0.3 1 343 58 58 VAL CB C 32.372 0.3 1 344 58 58 VAL N N 120.837 0.3 1 345 59 59 LEU H H 8.396 0.02 1 346 59 59 LEU HA H 4.401 0.02 1 347 59 59 LEU HB2 H 1.671 0.02 1 348 59 59 LEU HB3 H 1.671 0.02 1 349 59 59 LEU C C 177.554 0.3 1 350 59 59 LEU CA C 55.146 0.3 1 351 59 59 LEU CB C 42.003 0.3 1 352 59 59 LEU N N 125.5 0.3 1 353 60 60 GLY H H 8.389 0.02 1 354 60 60 GLY HA2 H 3.991 0.02 1 355 60 60 GLY HA3 H 3.991 0.02 1 356 60 60 GLY C C 173.439 0.3 1 357 60 60 GLY CA C 44.817 0.3 1 358 60 60 GLY N N 109.756 0.3 1 359 61 61 ALA H H 8.164 0.02 1 360 61 61 ALA HA H 4.372 0.02 1 361 61 61 ALA HB H 1.402 0.02 1 362 61 61 ALA C C 177.652 0.3 1 363 61 61 ALA CA C 52.231 0.3 1 364 61 61 ALA CB C 19.291 0.3 1 365 61 61 ALA N N 123.691 0.3 1 366 62 62 VAL H H 8.217 0.02 1 367 62 62 VAL HA H 4.137 0.02 1 368 62 62 VAL HB H 2.091 0.02 1 369 62 62 VAL HG1 H 0.968 0.02 1 370 62 62 VAL HG2 H 0.968 0.02 1 371 62 62 VAL C C 175.827 0.3 1 372 62 62 VAL CA C 62.318 0.3 1 373 62 62 VAL CB C 32.634 0.3 1 374 62 62 VAL N N 119.172 0.3 1 375 63 63 ASN H H 8.573 0.02 1 376 63 63 ASN HA H 4.765 0.02 1 377 63 63 ASN HB2 H 2.795 0.02 1 378 63 63 ASN HB3 H 2.887 0.02 2 379 63 63 ASN C C 174.729 0.3 1 380 63 63 ASN CA C 52.987 0.3 1 381 63 63 ASN CB C 38.717 0.3 1 382 63 63 ASN N N 122.341 0.3 1 383 64 64 ALA H H 8.338 0.02 1 384 64 64 ALA HA H 4.347 0.02 1 385 64 64 ALA HB H 1.421 0.02 1 386 64 64 ALA C C 177.091 0.3 1 387 64 64 ALA CA C 52.713 0.3 1 388 64 64 ALA CB C 19.213 0.3 1 389 64 64 ALA N N 124.515 0.3 1 390 65 65 ASP H H 8.428 0.02 1 391 65 65 ASP HA H 4.676 0.02 1 392 65 65 ASP HB2 H 2.686 0.02 1 393 65 65 ASP HB3 H 2.789 0.02 2 394 65 65 ASP C C 176.128 0.3 1 395 65 65 ASP CA C 54.307 0.3 1 396 65 65 ASP CB C 40.529 0.3 1 397 65 65 ASP N N 119.438 0.3 1 398 66 66 VAL H H 8.034 0.02 1 399 66 66 VAL HA H 4.159 0.02 1 400 66 66 VAL HB H 2.134 0.02 1 401 66 66 VAL HG1 H 0.968 0.02 1 402 66 66 VAL HG2 H 0.968 0.02 1 403 66 66 VAL C C 176.022 0.3 1 404 66 66 VAL CA C 62.345 0.3 1 405 66 66 VAL CB C 32.427 0.3 1 406 66 66 VAL N N 119.509 0.3 1 407 67 67 GLU H H 8.482 0.02 1 408 67 67 GLU HA H 4.336 0.02 1 409 67 67 GLU HB2 H 1.96 0.02 1 410 67 67 GLU HG2 H 2.364 0.02 1 411 67 67 GLU HG3 H 2.364 0.02 1 412 67 67 GLU C C 176.837 0.3 1 413 67 67 GLU CA C 56.101 0.3 1 414 67 67 GLU CB C 29.543 0.3 1 415 67 67 GLU N N 123.617 0.3 1 416 68 68 ASP H H 8.368 0.02 1 417 68 68 ASP HA H 4.638 0.02 1 418 68 68 ASP HB2 H 2.722 0.02 1 419 68 68 ASP CA C 54.485 0.3 1 420 68 68 ASP N N 121.177 0.3 1 421 70 70 VAL H H 8.229 0.02 1 422 70 70 VAL HA H 4.08 0.02 1 423 70 70 VAL HB H 2.1 0.02 1 424 70 70 VAL HG1 H 0.971 0.02 1 425 70 70 VAL HG2 H 0.971 0.02 1 426 70 70 VAL C C 176.199 0.3 1 427 70 70 VAL CA C 62.775 0.3 1 428 70 70 VAL CB C 32.142 0.3 1 429 70 70 VAL N N 121.51 0.3 1 430 71 71 LEU H H 8.319 0.02 1 431 71 71 LEU HA H 4.37 0.02 1 432 71 71 LEU HB2 H 1.643 0.02 1 433 71 71 LEU HB3 H 1.643 0.02 1 434 71 71 LEU C C 177.007 0.3 1 435 71 71 LEU CA C 55.115 0.3 1 436 71 71 LEU CB C 42 0.3 1 437 71 71 LEU N N 125.355 0.3 1 438 72 72 ASN H H 8.461 0.02 1 439 72 72 ASN HA H 4.693 0.02 1 440 72 72 ASN HB2 H 2.76 0.02 1 441 72 72 ASN C C 174.888 0.3 1 442 72 72 ASN CA C 53.271 0.3 1 443 72 72 ASN CB C 38.649 0.3 1 444 72 72 ASN N N 119.317 0.3 1 445 73 73 ASN H H 8.389 0.02 1 446 73 73 ASN HA H 4.697 0.02 1 447 73 73 ASN HB2 H 2.752 0.02 1 448 73 73 ASN C C 174.911 0.3 1 449 73 73 ASN CA C 52.965 0.3 1 450 73 73 ASN CB C 38.587 0.3 1 451 73 73 ASN N N 119.28 0.3 1 452 74 74 PHE H H 8.252 0.02 1 453 74 74 PHE HA H 4.638 0.02 1 454 74 74 PHE HB2 H 3.14 0.02 1 455 74 74 PHE HB3 H 3.14 0.02 1 456 74 74 PHE C C 175.643 0.3 1 457 74 74 PHE CA C 57.685 0.3 1 458 74 74 PHE CB C 38.971 0.3 1 459 74 74 PHE N N 120.701 0.3 1 460 75 75 ILE H H 8.147 0.02 1 461 75 75 ILE HA H 4.094 0.02 1 462 75 75 ILE HB H 1.838 0.02 1 463 75 75 ILE HG12 H 0.9 0.02 1 464 75 75 ILE HG13 H 0.9 0.02 1 465 75 75 ILE C C 175.726 0.3 1 466 75 75 ILE CA C 61.295 0.3 1 467 75 75 ILE N N 122.643 0.3 1 468 76 76 ASP H H 8.392 0.02 1 469 76 76 ASP HA H 4.624 0.02 1 470 76 76 ASP HB2 H 2.774 0.02 1 471 76 76 ASP HB3 H 2.774 0.02 1 472 76 76 ASP C C 176.518 0.3 1 473 76 76 ASP CA C 54.363 0.3 1 474 76 76 ASP CB C 41.015 0.3 1 475 76 76 ASP N N 124.096 0.3 1 476 77 77 SER H H 8.319 0.02 1 477 77 77 SER HA H 4.41 0.02 1 478 77 77 SER HB2 H 3.928 0.02 1 479 77 77 SER HB3 H 3.928 0.02 1 480 77 77 SER C C 174.807 0.3 1 481 77 77 SER CA C 58.572 0.3 1 482 77 77 SER CB C 63.531 0.3 1 483 77 77 SER N N 116.763 0.3 1 484 78 78 LEU H H 8.27 0.02 1 485 78 78 LEU HA H 4.369 0.02 1 486 78 78 LEU HB2 H 1.669 0.02 1 487 78 78 LEU HB3 H 1.669 0.02 1 488 78 78 LEU C C 177.502 0.3 1 489 78 78 LEU CA C 55.453 0.3 1 490 78 78 LEU CB C 41.784 0.3 1 491 78 78 LEU N N 123.306 0.3 1 492 79 79 LYS H H 8.194 0.02 1 493 79 79 LYS HA H 4.319 0.02 1 494 79 79 LYS HB2 H 1.844 0.02 1 495 79 79 LYS HB3 H 1.844 0.02 2 496 79 79 LYS C C 177.068 0.3 1 497 79 79 LYS CA C 56.636 0.3 1 498 79 79 LYS CB C 32.732 0.3 1 499 79 79 LYS N N 121.171 0.3 1 500 80 80 GLY H H 8.379 0.02 1 501 80 80 GLY HA2 H 3.993 0.02 1 502 80 80 GLY HA3 H 3.993 0.02 1 503 80 80 GLY C C 173.886 0.3 1 504 80 80 GLY CA C 44.856 0.3 1 505 80 80 GLY N N 109.612 0.3 1 506 81 81 LYS H H 8.245 0.02 1 507 81 81 LYS HA H 4.427 0.02 1 508 81 81 LYS HB2 H 1.76 0.02 1 509 81 81 LYS HG2 H 1.466 0.02 1 510 81 81 LYS HG3 H 1.466 0.02 1 511 81 81 LYS C C 176.607 0.3 1 512 81 81 LYS CA C 56.123 0.3 1 513 81 81 LYS CB C 33.15 0.3 1 514 81 81 LYS N N 120.77 0.3 1 515 82 82 SER H H 8.499 0.02 1 516 82 82 SER HA H 4.496 0.02 1 517 82 82 SER HB2 H 3.902 0.02 1 518 82 82 SER HB3 H 3.902 0.02 1 519 82 82 SER C C 174.463 0.3 1 520 82 82 SER CA C 57.95 0.3 1 521 82 82 SER CB C 63.432 0.3 1 522 82 82 SER N N 116.786 0.3 1 523 83 83 CYS H H 8.527 0.02 1 524 83 83 CYS HA H 4.575 0.02 1 525 83 83 CYS HB2 H 3.28 0.02 1 526 83 83 CYS HB3 H 3.28 0.02 1 527 83 83 CYS CA C 55.94 0.3 1 528 83 83 CYS CB C 27.645 0.3 1 529 83 83 CYS N N 121.08 0.3 1 530 85 85 GLU H H 8.492 0.02 1 531 85 85 GLU HA H 4.321 0.02 1 532 85 85 GLU HB2 H 1.998 0.02 1 533 85 85 GLU HG2 H 2.354 0.02 1 534 85 85 GLU HG3 H 2.354 0.02 1 535 85 85 GLU C C 175.845 0.3 1 536 85 85 GLU CA C 56.51 0.3 1 537 85 85 GLU N N 122.279 0.3 1 538 86 86 LEU H H 8.458 0.02 1 539 86 86 LEU HA H 4.374 0.02 1 540 86 86 LEU HB2 H 1.651 0.02 1 541 86 86 LEU HB3 H 1.651 0.02 1 542 86 86 LEU C C 176.908 0.3 1 543 86 86 LEU CA C 55.06 0.3 1 544 86 86 LEU CB C 42.083 0.3 1 545 86 86 LEU N N 124.144 0.3 1 546 87 87 ILE H H 8.465 0.02 1 547 87 87 ILE HA H 4.321 0.02 1 548 87 87 ILE HB H 1.897 0.02 1 549 87 87 ILE C C 176.492 0.3 1 550 87 87 ILE CA C 61.048 0.3 1 551 87 87 ILE CB C 38.182 0.3 1 552 87 87 ILE N N 123.657 0.3 1 553 88 88 THR H H 8.343 0.02 1 554 88 88 THR HA H 4.458 0.02 1 555 88 88 THR HB H 4.28 0.02 1 556 88 88 THR HG2 H 1.222 0.02 1 557 88 88 THR C C 174.276 0.3 1 558 88 88 THR CA C 61.522 0.3 1 559 88 88 THR CB C 69.62 0.3 1 560 88 88 THR N N 117.954 0.3 1 561 89 89 ASP H H 8.379 0.02 1 562 89 89 ASP HA H 4.669 0.02 1 563 89 89 ASP HB2 H 2.75 0.02 1 564 89 89 ASP C C 176.607 0.3 1 565 89 89 ASP CA C 54.491 0.3 1 566 89 89 ASP CB C 41.043 0.3 1 567 89 89 ASP N N 122.607 0.3 1 568 90 90 GLY H H 8.387 0.02 1 569 90 90 GLY HA2 H 3.98 0.02 1 570 90 90 GLY HA3 H 3.98 0.02 1 571 90 90 GLY C C 174.015 0.3 1 572 90 90 GLY CA C 45.484 0.3 1 573 90 90 GLY N N 108.912 0.3 1 574 91 91 LEU H H 8.129 0.02 1 575 91 91 LEU HA H 4.376 0.02 1 576 91 91 LEU HB2 H 1.639 0.02 1 577 91 91 LEU HB3 H 1.639 0.02 1 578 91 91 LEU C C 177.387 0.3 1 579 91 91 LEU CA C 55.278 0.3 1 580 91 91 LEU CB C 42.074 0.3 1 581 91 91 LEU N N 121.439 0.3 1 582 92 92 LYS H H 8.451 0.02 1 583 92 92 LYS HA H 4.321 0.02 1 584 92 92 LYS C C 176.447 0.3 1 585 92 92 LYS CA C 56.401 0.3 1 586 92 92 LYS CB C 32.771 0.3 1 587 92 92 LYS N N 122.72 0.3 1 588 93 93 LYS H H 8.471 0.02 1 589 93 93 LYS HA H 4.338 0.02 1 590 93 93 LYS HB2 H 1.763 0.02 1 591 93 93 LYS C C 176.447 0.3 1 592 93 93 LYS CB C 32.665 0.3 1 593 93 93 LYS N N 123.297 0.3 1 594 94 94 LEU H H 8.466 0.02 1 595 94 94 LEU HA H 4.368 0.02 1 596 94 94 LEU HB2 H 1.656 0.02 1 597 94 94 LEU HB3 H 1.656 0.02 1 598 94 94 LEU C C 177.227 0.3 1 599 94 94 LEU CA C 55.011 0.3 1 600 94 94 LEU CB C 42.058 0.3 1 601 94 94 LEU N N 124.239 0.3 1 602 95 95 GLN H H 8.594 0.02 1 603 95 95 GLN HA H 4.382 0.02 1 604 95 95 GLN HB2 H 2.023 0.02 1 605 95 95 GLN HG2 H 2.396 0.02 1 606 95 95 GLN HG3 H 2.396 0.02 1 607 95 95 GLN C C 175.561 0.3 1 608 95 95 GLN CA C 55.675 0.3 1 609 95 95 GLN CB C 29.559 0.3 1 610 95 95 GLN N N 121.184 0.3 1 611 96 96 ASN H H 8.651 0.02 1 612 96 96 ASN HA H 4.77 0.02 1 613 96 96 ASN HB2 H 2.889 0.02 1 614 96 96 ASN HB3 H 2.889 0.02 2 615 96 96 ASN C C 175.111 0.3 1 616 96 96 ASN CA C 53.159 0.3 1 617 96 96 ASN CB C 38.473 0.3 1 618 96 96 ASN N N 120.601 0.3 1 619 97 97 ILE H H 8.257 0.02 1 620 97 97 ILE HA H 4.239 0.02 1 621 97 97 ILE HB H 1.922 0.02 1 622 97 97 ILE HG12 H 0.95 0.02 1 623 97 97 ILE HG13 H 0.95 0.02 1 624 97 97 ILE C C 176.554 0.3 1 625 97 97 ILE CA C 61.417 0.3 1 626 97 97 ILE CB C 38.391 0.3 1 627 97 97 ILE N N 121.12 0.3 1 628 98 98 GLY H H 8.508 0.02 1 629 98 98 GLY HA2 H 4.042 0.02 1 630 98 98 GLY HA3 H 4.042 0.02 1 631 98 98 GLY C C 174.433 0.3 1 632 98 98 GLY CA C 45.004 0.3 1 633 98 98 GLY N N 112.46 0.3 1 634 99 99 GLY H H 8.317 0.02 1 635 99 99 GLY HA2 H 4.032 0.02 1 636 99 99 GLY HA3 H 4.032 0.02 1 637 99 99 GLY C C 174.513 0.3 1 638 99 99 GLY CA C 45.23 0.3 1 639 99 99 GLY N N 108.533 0.3 1 640 100 100 GLY H H 8.352 0.02 1 641 100 100 GLY HA2 H 4.029 0.02 1 642 100 100 GLY HA3 H 4.029 0.02 1 643 100 100 GLY C C 173.833 0.3 1 644 100 100 GLY CA C 44.83 0.3 1 645 100 100 GLY N N 108.742 0.3 1 646 101 101 VAL H H 8.096 0.02 1 647 101 101 VAL HA H 4.171 0.02 1 648 101 101 VAL HB H 2.106 0.02 1 649 101 101 VAL HG1 H 0.972 0.02 1 650 101 101 VAL HG2 H 0.972 0.02 1 651 101 101 VAL C C 175.853 0.3 1 652 101 101 VAL CA C 62.13 0.3 1 653 101 101 VAL CB C 32.561 0.3 1 654 101 101 VAL N N 119.175 0.3 1 655 102 102 ALA H H 8.424 0.02 1 656 102 102 ALA HA H 4.364 0.02 1 657 102 102 ALA HB H 1.426 0.02 1 658 102 102 ALA C C 177.068 0.3 1 659 102 102 ALA CA C 52.156 0.3 1 660 102 102 ALA CB C 18.793 0.3 1 661 102 102 ALA N N 127.871 0.3 1 662 103 103 ALA H H 8.246 0.02 1 663 103 103 ALA HA H 4.323 0.02 1 664 103 103 ALA HB H 1.411 0.02 1 665 103 103 ALA C C 176.961 0.3 1 666 103 103 ALA CA C 52.074 0.3 1 667 103 103 ALA N N 123.756 0.3 1 668 104 104 ALA H H 8.321 0.02 1 669 104 104 ALA HA H 4.592 0.02 1 670 104 104 ALA HB H 1.401 0.02 1 671 104 104 ALA C C 175.268 0.3 1 672 104 104 ALA CA C 50.435 0.3 1 673 104 104 ALA CB C 17.607 0.3 1 674 104 104 ALA N N 124.62 0.3 1 675 106 106 ALA H H 8.465 0.02 1 676 106 106 ALA HA H 4.358 0.02 1 677 106 106 ALA HB H 1.44 0.02 1 678 106 106 ALA C C 178.202 0.3 1 679 106 106 ALA CA C 52.614 0.3 1 680 106 106 ALA CB C 18.809 0.3 1 681 106 106 ALA N N 124.566 0.3 1 682 107 107 GLY H H 8.388 0.02 1 683 107 107 GLY HA2 H 3.978 0.02 1 684 107 107 GLY HA3 H 3.978 0.02 1 685 107 107 GLY C C 173.726 0.3 1 686 107 107 GLY CA C 44.974 0.3 1 687 107 107 GLY N N 108.293 0.3 1 688 108 108 ALA H H 8.158 0.02 1 689 108 108 ALA HA H 4.365 0.02 1 690 108 108 ALA HB H 1.421 0.02 1 691 108 108 ALA C C 177.394 0.3 1 692 108 108 ALA CA C 52.279 0.3 1 693 108 108 ALA CB C 19.185 0.3 1 694 108 108 ALA N N 123.67 0.3 1 695 109 109 ALA H H 8.32 0.02 1 696 109 109 ALA HA H 4.323 0.02 1 697 109 109 ALA HB H 1.425 0.02 1 698 109 109 ALA C C 177.351 0.3 1 699 109 109 ALA CA C 52.263 0.3 1 700 109 109 ALA CB C 19.006 0.3 1 701 109 109 ALA N N 123.266 0.3 1 702 110 110 ALA H H 8.295 0.02 1 703 110 110 ALA HA H 4.365 0.02 1 704 110 110 ALA HB H 1.426 0.02 1 705 110 110 ALA C C 177.546 0.3 1 706 110 110 ALA CA C 52.331 0.3 1 707 110 110 ALA CB C 18.532 0.3 1 708 110 110 ALA N N 123.623 0.3 1 709 111 111 VAL H H 8.139 0.02 1 710 111 111 VAL HA H 4.146 0.02 1 711 111 111 VAL HB H 2.106 0.02 1 712 111 111 VAL HG1 H 0.979 0.02 1 713 111 111 VAL HG2 H 0.979 0.02 1 714 111 111 VAL C C 176.101 0.3 1 715 111 111 VAL CA C 62.326 0.3 1 716 111 111 VAL CB C 32.558 0.3 1 717 111 111 VAL N N 119.246 0.3 1 718 112 112 GLU H H 8.577 0.02 1 719 112 112 GLU HA H 4.426 0.02 1 720 112 112 GLU HB2 H 2.008 0.02 1 721 112 112 GLU HG2 H 2.347 0.02 1 722 112 112 GLU HG3 H 2.347 0.02 1 723 112 112 GLU C C 176.412 0.3 1 724 112 112 GLU CA C 56.403 0.3 1 725 112 112 GLU CB C 29.833 0.3 1 726 112 112 GLU N N 124.489 0.3 1 727 113 113 THR H H 8.247 0.02 1 728 113 113 THR HA H 4.372 0.02 1 729 113 113 THR HG2 H 1.258 0.02 1 730 113 113 THR C C 174.24 0.3 1 731 113 113 THR CA C 61.376 0.3 1 732 113 113 THR CB C 69.632 0.3 1 733 113 113 THR N N 115.393 0.3 1 734 114 114 ALA H H 8.409 0.02 1 735 114 114 ALA HA H 4.399 0.02 1 736 114 114 ALA HB H 1.439 0.02 1 737 114 114 ALA C C 177.583 0.3 1 738 114 114 ALA CA C 52.63 0.3 1 739 114 114 ALA CB C 18.802 0.3 1 740 114 114 ALA N N 126.202 0.3 1 741 115 115 GLU H H 8.393 0.02 1 742 115 115 GLU HA H 4.271 0.02 1 743 115 115 GLU HB2 H 1.996 0.02 1 744 115 115 GLU HB3 H 2.351 0.02 2 745 115 115 GLU C C 176.075 0.3 1 746 115 115 GLU CA C 56.405 0.3 1 747 115 115 GLU CB C 29.907 0.3 1 748 115 115 GLU N N 120.136 0.3 1 749 116 116 ALA H H 8.337 0.02 1 750 116 116 ALA HA H 4.33 0.02 1 751 116 116 ALA HB H 1.427 0.02 1 752 116 116 ALA C C 177.581 0.3 1 753 116 116 ALA CA C 52.398 0.3 1 754 116 116 ALA CB C 18.763 0.3 1 755 116 116 ALA N N 125.493 0.3 1 756 117 117 LYS H H 8.378 0.02 1 757 117 117 LYS HA H 4.321 0.02 1 758 117 117 LYS HB2 H 1.821 0.02 1 759 117 117 LYS HB3 H 1.821 0.02 1 760 117 117 LYS C C 176.554 0.3 1 761 117 117 LYS CA C 56.26 0.3 1 762 117 117 LYS CB C 32.745 0.3 1 763 117 117 LYS N N 121.378 0.3 1 764 118 118 LYS H H 8.555 0.02 1 765 118 118 LYS HA H 4.359 0.02 1 766 118 118 LYS HB2 H 1.818 0.02 1 767 118 118 LYS HB3 H 1.818 0.02 1 768 118 118 LYS HG2 H 1.457 0.02 1 769 118 118 LYS HG3 H 1.457 0.02 1 770 118 118 LYS C C 176.463 0.3 1 771 118 118 LYS CA C 56.345 0.3 1 772 118 118 LYS CB C 32.864 0.3 1 773 118 118 LYS N N 123.95 0.3 1 774 119 119 GLU H H 8.624 0.02 1 775 119 119 GLU HA H 4.357 0.02 1 776 119 119 GLU HB2 H 1.958 0.02 1 777 119 119 GLU HG2 H 2.316 0.02 1 778 119 119 GLU HG3 H 2.316 0.02 1 779 119 119 GLU C C 175.898 0.3 1 780 119 119 GLU CA C 56.244 0.3 1 781 119 119 GLU CB C 30.065 0.3 1 782 119 119 GLU N N 122.464 0.3 1 783 121 121 LYS H H 8.383 0.02 1 784 121 121 LYS HA H 4.347 0.02 1 785 121 121 LYS HB2 H 1.757 0.02 1 786 121 121 LYS HG2 H 1.44 0.02 1 787 121 121 LYS HG3 H 1.44 0.02 1 788 121 121 LYS C C 176.359 0.3 1 789 121 121 LYS CA C 56.306 0.3 1 790 121 121 LYS CB C 32.791 0.3 1 791 121 121 LYS N N 122.225 0.3 1 792 122 122 LYS H H 8.54 0.02 1 793 122 122 LYS HA H 4.35 0.02 1 794 122 122 LYS HB2 H 1.811 0.02 1 795 122 122 LYS HB3 H 1.811 0.02 1 796 122 122 LYS HG2 H 1.459 0.02 1 797 122 122 LYS HG3 H 1.459 0.02 1 798 122 122 LYS C C 176.501 0.3 1 799 122 122 LYS CA C 56.351 0.3 1 800 122 122 LYS CB C 32.865 0.3 1 801 122 122 LYS N N 123.433 0.3 1 802 123 123 GLU H H 8.574 0.02 1 803 123 123 GLU HA H 4.343 0.02 1 804 123 123 GLU HB2 H 1.973 0.02 1 805 123 123 GLU HG2 H 2.316 0.02 1 806 123 123 GLU HG3 H 2.316 0.02 1 807 123 123 GLU C C 176.165 0.3 1 808 123 123 GLU CA C 56.323 0.3 1 809 123 123 GLU CB C 29.912 0.3 1 810 123 123 GLU N N 122.445 0.3 1 811 124 124 GLU H H 8.53 0.02 1 812 124 124 GLU HA H 4.347 0.02 1 813 124 124 GLU HB2 H 1.984 0.02 1 814 124 124 GLU HG2 H 2.349 0.02 1 815 124 124 GLU HG3 H 2.349 0.02 1 816 124 124 GLU C C 176.097 0.3 1 817 124 124 GLU CA C 56.203 0.3 1 818 124 124 GLU N N 122.925 0.3 1 819 125 125 LYS H H 8.508 0.02 1 820 125 125 LYS HA H 4.361 0.02 1 821 125 125 LYS HB2 H 1.804 0.02 1 822 125 125 LYS HB3 H 1.804 0.02 1 823 125 125 LYS C C 176.348 0.3 1 824 125 125 LYS CA C 56.246 0.3 1 825 125 125 LYS CB C 32.834 0.3 1 826 125 125 LYS N N 123.472 0.3 1 827 126 126 LYS H H 8.597 0.02 1 828 126 126 LYS HA H 4.375 0.02 1 829 126 126 LYS HB2 H 1.797 0.02 1 830 126 126 LYS HB3 H 1.797 0.02 1 831 126 126 LYS HG2 H 1.478 0.02 1 832 126 126 LYS HG3 H 1.478 0.02 1 833 126 126 LYS C C 176.607 0.3 1 834 126 126 LYS CA C 56.315 0.3 1 835 126 126 LYS CB C 32.891 0.3 1 836 126 126 LYS N N 124.138 0.3 1 837 127 127 GLU H H 8.676 0.02 1 838 127 127 GLU HA H 4.327 0.02 1 839 127 127 GLU HB2 H 1.973 0.02 1 840 127 127 GLU HB3 H 1.973 0.02 1 841 127 127 GLU HG2 H 2.367 0.02 1 842 127 127 GLU HG3 H 2.367 0.02 1 843 127 127 GLU C C 176.323 0.3 1 844 127 127 GLU CA C 56.546 0.3 1 845 127 127 GLU CB C 29.536 0.3 1 846 127 127 GLU N N 122.63 0.3 1 847 128 128 GLU H H 8.54 0.02 1 848 128 128 GLU HA H 4.349 0.02 1 849 128 128 GLU HB2 H 1.986 0.02 1 850 128 128 GLU HG2 H 2.356 0.02 1 851 128 128 GLU HG3 H 2.356 0.02 1 852 128 128 GLU CA C 56.521 0.3 1 853 128 128 GLU CB C 29.611 0.3 1 854 128 128 GLU N N 121.471 0.3 1 855 132 132 GLU H H 8.67 0.02 1 856 132 132 GLU HA H 4.727 0.02 1 857 132 132 GLU C C 174.162 0.3 1 858 132 132 GLU CA C 55.432 0.3 1 859 132 132 GLU CB C 29.277 0.3 1 860 132 132 GLU N N 121.102 0.3 1 861 133 133 GLU H H 8.529 0.02 1 862 133 133 GLU HA H 4.359 0.02 1 863 133 133 GLU HB2 H 2.003 0.02 1 864 133 133 GLU HB3 H 2.003 0.02 1 865 133 133 GLU HG2 H 2.389 0.02 1 866 133 133 GLU HG3 H 2.389 0.02 1 867 133 133 GLU C C 175.898 0.3 1 868 133 133 GLU CA C 55.933 0.3 1 869 133 133 GLU CB C 29.923 0.3 1 870 133 133 GLU N N 122.345 0.3 1 871 134 134 ASP H H 8.497 0.02 1 872 134 134 ASP HA H 4.664 0.02 1 873 134 134 ASP HB2 H 2.734 0.02 1 874 134 134 ASP C C 175.751 0.3 1 875 134 134 ASP CA C 53.749 0.3 1 876 134 134 ASP CB C 40.814 0.3 1 877 134 134 ASP N N 121.423 0.3 1 878 135 135 ASP H H 8.449 0.02 1 879 135 135 ASP HA H 4.658 0.02 1 880 135 135 ASP HB2 H 2.768 0.02 1 881 135 135 ASP C C 176.258 0.3 1 882 135 135 ASP CA C 53.728 0.3 1 883 135 135 ASP CB C 40.474 0.3 1 884 135 135 ASP N N 120.553 0.3 1 885 136 136 LEU H H 8.289 0.02 1 886 136 136 LEU HA H 4.32 0.02 1 887 136 136 LEU HB2 H 1.656 0.02 1 888 136 136 LEU HB3 H 1.656 0.02 1 889 136 136 LEU C C 177.9 0.3 1 890 136 136 LEU CA C 55.523 0.3 1 891 136 136 LEU CB C 41.908 0.3 1 892 136 136 LEU N N 122.406 0.3 1 893 137 137 GLY H H 8.393 0.02 1 894 137 137 GLY HA2 H 3.986 0.02 1 895 137 137 GLY HA3 H 3.986 0.02 1 896 137 137 GLY C C 173.806 0.3 1 897 137 137 GLY CA C 44.96 0.3 1 898 137 137 GLY N N 108.402 0.3 1 899 138 138 PHE H H 8.051 0.02 1 900 138 138 PHE HA H 4.663 0.02 1 901 138 138 PHE HB2 H 3.13 0.02 1 902 138 138 PHE HB3 H 3.13 0.02 2 903 138 138 PHE C C 175.658 0.3 1 904 138 138 PHE CA C 57.679 0.3 1 905 138 138 PHE CB C 39.494 0.3 1 906 138 138 PHE N N 119.735 0.3 1 907 139 139 SER H H 8.389 0.02 1 908 139 139 SER HA H 4.476 0.02 1 909 139 139 SER HB2 H 3.814 0.02 1 910 139 139 SER HB3 H 3.814 0.02 1 911 139 139 SER C C 174.364 0.3 1 912 139 139 SER CA C 57.608 0.3 1 913 139 139 SER CB C 63.755 0.3 1 914 139 139 SER N N 117.446 0.3 1 915 140 140 LEU H H 8.301 0.02 1 916 140 140 LEU HA H 4.257 0.02 1 917 140 140 LEU HB2 H 1.411 0.02 1 918 140 140 LEU HB3 H 1.411 0.02 1 919 140 140 LEU C C 176.774 0.3 1 920 140 140 LEU CA C 55.543 0.3 1 921 140 140 LEU CB C 42.203 0.3 1 922 140 140 LEU N N 124.802 0.3 1 923 141 141 PHE H H 8.208 0.02 1 924 141 141 PHE HA H 4.712 0.02 1 925 141 141 PHE HB2 H 3.286 0.02 1 926 141 141 PHE HB3 H 3.286 0.02 2 927 141 141 PHE C C 175.197 0.3 1 928 141 141 PHE CA C 57.383 0.3 1 929 141 141 PHE CB C 39.579 0.3 1 930 141 141 PHE N N 119.4 0.3 1 931 142 142 GLY H H 7.932 0.02 1 932 142 142 GLY HA2 H 3.797 0.02 1 933 142 142 GLY HA3 H 3.797 0.02 1 934 142 142 GLY C C 178.688 0.3 1 935 142 142 GLY CA C 46.08 0.3 1 936 142 142 GLY N N 115.982 0.3 1 stop_ save_