data_34220 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR Solution Structure of MINA-1(254-334) ; _BMRB_accession_number 34220 _BMRB_flat_file_name bmr34220.str _Entry_type original _Submission_date 2017-12-19 _Accession_date 2017-12-19 _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 Michel E. . . 2 Allain F. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 506 "13C chemical shifts" 286 "15N chemical shifts" 98 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2019-08-13 update BMRB 'update entry citation' 2019-01-28 original author 'original release' stop_ _Original_release_date 2019-01-22 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; MINA-1 and WAGO-4 are part of regulatory network coordinating germ cell death and RNAi in C. elegans ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 30728462 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Sendoel Ataman . . 2 Subasic Deni . . 3 Ducoli Luca . . 4 Keller Martin . . 5 Michel Erich . . 6 Kohler Ines . . 7 Singh 'Kapil Dev' D. . 8 Zheng Xue . . 9 Brummer Anneke . . 10 Imig Jochen . . 11 Kishore Shivendra . . 12 Wu Yibo . . 13 Kanitz Alexander . . 14 Kaech Andres . . 15 Mittal Nitish . . 16 Matia-Gonzalez Ana M. . 17 Gerber Andre P. . 18 Zavolan Mihaela . . 19 Aebersold Ruedi . . 20 Hall Jonathan . . 21 Allain 'Frederic H-T' H. . 22 Hengartner Michael O. . stop_ _Journal_abbreviation 'Cell Death Differ.' _Journal_name_full 'Cell death and differentiation' _Journal_volume . _Journal_issue . _Journal_ISSN 1476-5403 _Journal_CSD 0353 _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year 2019 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name MINA-1 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label entity_1 $entity_1 stop_ _System_molecular_weight . _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity_1 _Molecular_mass 9634.081 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 86 _Mol_residue_sequence ; SGSHMKTCVVEKIKQWIPTT EVGKILGNRAAVKKHIERQF NCVITVHTEVQSSFGATPVE IVAQNKEQCQEARNAVMSLM QSHQDK ; loop_ _Residue_seq_code _Residue_label 1 SER 2 GLY 3 SER 4 HIS 5 MET 6 LYS 7 THR 8 CYS 9 VAL 10 VAL 11 GLU 12 LYS 13 ILE 14 LYS 15 GLN 16 TRP 17 ILE 18 PRO 19 THR 20 THR 21 GLU 22 VAL 23 GLY 24 LYS 25 ILE 26 LEU 27 GLY 28 ASN 29 ARG 30 ALA 31 ALA 32 VAL 33 LYS 34 LYS 35 HIS 36 ILE 37 GLU 38 ARG 39 GLN 40 PHE 41 ASN 42 CYS 43 VAL 44 ILE 45 THR 46 VAL 47 HIS 48 THR 49 GLU 50 VAL 51 GLN 52 SER 53 SER 54 PHE 55 GLY 56 ALA 57 THR 58 PRO 59 VAL 60 GLU 61 ILE 62 VAL 63 ALA 64 GLN 65 ASN 66 LYS 67 GLU 68 GLN 69 CYS 70 GLN 71 GLU 72 ALA 73 ARG 74 ASN 75 ALA 76 VAL 77 MET 78 SER 79 LEU 80 MET 81 GLN 82 SER 83 HIS 84 GLN 85 ASP 86 LYS 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 _Gene_mnemonic $entity_1 'C. elegans' 6239 Eukaryota Metazoa Caenorhabditis elegans 'C41G7.3, CELE_C41G7.3' stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Variant _Vector_type _Vector_name $entity_1 'recombinant technology' . . . . Star plasmid pCFX3 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details ; 1 mM [U-99% 13C; U-99% 15N] MINA-1(254-334), 20 mM sodium phosphate, 50 mM sodium chloride, 2 mM DTT, 0.5 mM EDTA, 95% H2O/5% D2O ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1 mM '[U-99% 13C; U-99% 15N]' 'sodium phosphate' 20 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' DTT 2 mM 'natural abundance' EDTA 0.5 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name CARA _Version . loop_ _Vendor _Address _Electronic_address 'Keller and Wuthrich' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_software_2 _Saveframe_category software _Name ATNOS _Version . loop_ _Vendor _Address _Electronic_address 'Herrmann, Guntert and Wuthrich' . . stop_ loop_ _Task 'peak picking' stop_ _Details . save_ save_software_3 _Saveframe_category software _Name CYANA _Version . loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure calculation' stop_ _Details . save_ save_software_4 _Saveframe_category software _Name AMBER _Version . loop_ _Vendor _Address _Electronic_address 'Case, Darden, Cheatham III, Simmerling, Wang, Duke, Luo, ... and Kollman' . . stop_ loop_ _Task refinement stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 900 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _Details . save_ save_NMR_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ save_NMR_spectrometer_4 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 500 _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_1H-15N_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aliphatic_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aromatic_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _Sample_label $sample_1 save_ save_3D_HNCA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCACB_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_H(CCO)NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_1 save_ save_3D_C(CO)NH_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 50 . mM pH 5.0 . pH pressure 1 . atm temperature 293.15 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_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 water C 13 protons Hz 899.600125944 internal indirect . . . 0.251449530 water H 1 protons Hz 899.600125944 internal direct . . . 1 water N 15 protons Hz 899.600125944 internal 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_chemical_shifts_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D 1H-15N NOESY' '3D 1H-13C NOESY aliphatic' '3D 1H-13C NOESY aromatic' '3D HNCA' '3D CBCA(CO)NH' '3D HNCACB' '3D H(CCO)NH' '3D C(CO)NH' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chem_shift_reference_1 _Mol_system_component_name entity_1 _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 2 2 GLY H H 8.785 0.02 1 2 2 2 GLY HA2 H 4.054 0.02 1 3 2 2 GLY HA3 H 4.054 0.02 1 4 2 2 GLY CA C 45.105 0.3 1 5 2 2 GLY N N 109.622 0.3 1 6 3 3 SER H H 8.398 0.02 1 7 3 3 SER HA H 4.427 0.02 1 8 3 3 SER HB2 H 3.823 0.02 2 9 3 3 SER HB3 H 3.802 0.02 2 10 3 3 SER CA C 58.138 0.3 1 11 3 3 SER CB C 63.853 0.3 1 12 3 3 SER N N 115.664 0.3 1 13 4 4 HIS H H 8.686 0.02 1 14 4 4 HIS HA H 4.723 0.02 1 15 4 4 HIS HB2 H 3.28 0.02 2 16 4 4 HIS HB3 H 3.16 0.02 2 17 4 4 HIS CA C 55.229 0.3 1 18 4 4 HIS CB C 28.823 0.3 1 19 4 4 HIS N N 120.679 0.3 1 20 5 5 MET H H 8.434 0.02 1 21 5 5 MET HA H 4.463 0.02 1 22 5 5 MET HG2 H 2.558 0.02 2 23 5 5 MET HG3 H 2.504 0.02 2 24 5 5 MET HE H 2.1 0.02 1 25 5 5 MET CA C 55.464 0.3 1 26 5 5 MET CB C 32.986 0.3 1 27 5 5 MET CE C 16.891 0.3 1 28 5 5 MET N N 121.885 0.3 1 29 6 6 LYS H H 8.53 0.02 1 30 6 6 LYS HA H 4.391 0.02 1 31 6 6 LYS HB2 H 1.862 0.02 2 32 6 6 LYS HB3 H 1.79 0.02 2 33 6 6 LYS HG2 H 1.484 0.02 2 34 6 6 LYS HG3 H 1.43 0.02 2 35 6 6 LYS HD2 H 1.683 0.02 1 36 6 6 LYS HD3 H 1.683 0.02 1 37 6 6 LYS HE2 H 3.002 0.02 1 38 6 6 LYS HE3 H 3.002 0.02 1 39 6 6 LYS CA C 56.425 0.3 1 40 6 6 LYS CB C 33.004 0.3 1 41 6 6 LYS CG C 24.682 0.3 1 42 6 6 LYS CD C 29.159 0.3 1 43 6 6 LYS CE C 41.924 0.3 1 44 6 6 LYS N N 123.51 0.3 1 45 7 7 THR H H 8.268 0.02 1 46 7 7 THR HA H 4.361 0.02 1 47 7 7 THR HB H 4.194 0.02 1 48 7 7 THR HG2 H 1.212 0.02 1 49 7 7 THR CA C 61.726 0.3 1 50 7 7 THR CB C 69.774 0.3 1 51 7 7 THR CG2 C 21.606 0.3 1 52 7 7 THR N N 116.39 0.3 1 53 8 8 CYS H H 8.512 0.02 1 54 8 8 CYS HA H 4.599 0.02 1 55 8 8 CYS HB2 H 2.939 0.02 1 56 8 8 CYS HB3 H 2.939 0.02 1 57 8 8 CYS CA C 58.256 0.3 1 58 8 8 CYS CB C 28.103 0.3 1 59 8 8 CYS N N 122.552 0.3 1 60 9 9 VAL H H 8.417 0.02 1 61 9 9 VAL HA H 4.201 0.02 1 62 9 9 VAL HB H 2.109 0.02 1 63 9 9 VAL HG1 H 0.942 0.02 2 64 9 9 VAL HG2 H 0.959 0.02 2 65 9 9 VAL CA C 62.244 0.3 1 66 9 9 VAL CB C 32.71 0.3 1 67 9 9 VAL CG1 C 21.195 0.3 1 68 9 9 VAL CG2 C 20.498 0.3 1 69 9 9 VAL N N 124.248 0.3 1 70 10 10 VAL H H 7.964 0.02 1 71 10 10 VAL HA H 4.346 0.02 1 72 10 10 VAL HB H 2.052 0.02 1 73 10 10 VAL HG1 H 0.827 0.02 2 74 10 10 VAL HG2 H 0.814 0.02 2 75 10 10 VAL CA C 61.278 0.3 1 76 10 10 VAL CB C 33.555 0.3 1 77 10 10 VAL CG1 C 21.422 0.3 1 78 10 10 VAL CG2 C 19.58 0.3 1 79 10 10 VAL N N 120.893 0.3 1 80 11 11 GLU H H 8.49 0.02 1 81 11 11 GLU HA H 4.56 0.02 1 82 11 11 GLU HB2 H 1.851 0.02 2 83 11 11 GLU HB3 H 1.451 0.02 2 84 11 11 GLU HG2 H 2.146 0.02 2 85 11 11 GLU HG3 H 2.06 0.02 2 86 11 11 GLU CA C 54.626 0.3 1 87 11 11 GLU CB C 30.999 0.3 1 88 11 11 GLU CG C 34.616 0.3 1 89 11 11 GLU N N 124.439 0.3 1 90 12 12 LYS H H 8.345 0.02 1 91 12 12 LYS HA H 5.567 0.02 1 92 12 12 LYS HB2 H 1.634 0.02 1 93 12 12 LYS HB3 H 1.634 0.02 1 94 12 12 LYS HG2 H 1.278 0.02 2 95 12 12 LYS HG3 H 1.224 0.02 2 96 12 12 LYS HD2 H 1.578 0.02 1 97 12 12 LYS HD3 H 1.578 0.02 1 98 12 12 LYS HE2 H 2.812 0.02 1 99 12 12 LYS HE3 H 2.812 0.02 1 100 12 12 LYS CA C 54.442 0.3 1 101 12 12 LYS CB C 35.949 0.3 1 102 12 12 LYS CG C 24.626 0.3 1 103 12 12 LYS CD C 29.395 0.3 1 104 12 12 LYS CE C 41.807 0.3 1 105 12 12 LYS N N 121.79 0.3 1 106 13 13 ILE H H 8.892 0.02 1 107 13 13 ILE HA H 4.448 0.02 1 108 13 13 ILE HB H 1.639 0.02 1 109 13 13 ILE HG12 H 1.578 0.02 2 110 13 13 ILE HG13 H 1.079 0.02 2 111 13 13 ILE HG2 H 0.843 0.02 1 112 13 13 ILE HD1 H 0.775 0.02 1 113 13 13 ILE CA C 59.962 0.3 1 114 13 13 ILE CB C 42.776 0.3 1 115 13 13 ILE CG1 C 28.065 0.3 1 116 13 13 ILE CG2 C 17.793 0.3 1 117 13 13 ILE CD1 C 14.142 0.3 1 118 13 13 ILE N N 122.538 0.3 1 119 14 14 LYS H H 8.523 0.02 1 120 14 14 LYS HA H 5.071 0.02 1 121 14 14 LYS HB2 H 1.603 0.02 2 122 14 14 LYS HB3 H 1.561 0.02 2 123 14 14 LYS HG2 H 1.047 0.02 2 124 14 14 LYS HG3 H 0.876 0.02 2 125 14 14 LYS HD2 H 1.459 0.02 1 126 14 14 LYS HD3 H 1.459 0.02 1 127 14 14 LYS HE2 H 2.689 0.02 2 128 14 14 LYS HE3 H 2.613 0.02 2 129 14 14 LYS CA C 54.796 0.3 1 130 14 14 LYS CB C 34.422 0.3 1 131 14 14 LYS CG C 24.989 0.3 1 132 14 14 LYS CD C 29.224 0.3 1 133 14 14 LYS CE C 41.475 0.3 1 134 14 14 LYS N N 125.463 0.3 1 135 15 15 GLN H H 9.064 0.02 1 136 15 15 GLN HA H 4.677 0.02 1 137 15 15 GLN HB2 H 1.871 0.02 2 138 15 15 GLN HB3 H 1.748 0.02 2 139 15 15 GLN HG2 H 2.098 0.02 2 140 15 15 GLN HG3 H 2.052 0.02 2 141 15 15 GLN HE21 H 7.832 0.02 1 142 15 15 GLN HE22 H 7.219 0.02 1 143 15 15 GLN CA C 53.046 0.3 1 144 15 15 GLN CB C 32.344 0.3 1 145 15 15 GLN CG C 34.433 0.3 1 146 15 15 GLN N N 126.207 0.3 1 147 15 15 GLN NE2 N 115.124 0.3 1 148 16 16 TRP H H 9.025 0.02 1 149 16 16 TRP HA H 4.93 0.02 1 150 16 16 TRP HB2 H 3.079 0.02 2 151 16 16 TRP HB3 H 2.968 0.02 2 152 16 16 TRP HD1 H 7.333 0.02 1 153 16 16 TRP HE1 H 10.294 0.02 1 154 16 16 TRP HE3 H 7.177 0.02 1 155 16 16 TRP HZ2 H 7.479 0.02 1 156 16 16 TRP HZ3 H 6.991 0.02 1 157 16 16 TRP HH2 H 7.151 0.02 1 158 16 16 TRP CA C 57.538 0.3 1 159 16 16 TRP CB C 29.659 0.3 1 160 16 16 TRP CD1 C 127.726 0.3 1 161 16 16 TRP CE3 C 119.944 0.3 1 162 16 16 TRP CZ2 C 114.521 0.3 1 163 16 16 TRP CZ3 C 121.866 0.3 1 164 16 16 TRP CH2 C 124.376 0.3 1 165 16 16 TRP N N 128.192 0.3 1 166 16 16 TRP NE1 N 129.785 0.3 1 167 17 17 ILE H H 9.124 0.02 1 168 17 17 ILE HA H 5.088 0.02 1 169 17 17 ILE HB H 2.026 0.02 1 170 17 17 ILE HG12 H 1.384 0.02 2 171 17 17 ILE HG13 H 1.109 0.02 2 172 17 17 ILE HG2 H 0.884 0.02 1 173 17 17 ILE HD1 H 0.643 0.02 1 174 17 17 ILE CA C 57.83 0.3 1 175 17 17 ILE CB C 39.249 0.3 1 176 17 17 ILE CG1 C 24.665 0.3 1 177 17 17 ILE CG2 C 17.5 0.3 1 178 17 17 ILE CD1 C 13.98 0.3 1 179 17 17 ILE N N 119.549 0.3 1 180 18 18 PRO HA H 4.781 0.02 1 181 18 18 PRO HB2 H 2.549 0.02 2 182 18 18 PRO HB3 H 1.937 0.02 2 183 18 18 PRO HG2 H 2.246 0.02 2 184 18 18 PRO HG3 H 2.057 0.02 2 185 18 18 PRO HD2 H 3.953 0.02 2 186 18 18 PRO HD3 H 3.601 0.02 2 187 18 18 PRO CA C 63.062 0.3 1 188 18 18 PRO CB C 31.848 0.3 1 189 18 18 PRO CG C 28.35 0.3 1 190 18 18 PRO CD C 50.674 0.3 1 191 19 19 THR H H 9.168 0.02 1 192 19 19 THR HA H 3.904 0.02 1 193 19 19 THR HB H 3.888 0.02 1 194 19 19 THR HG2 H 1.211 0.02 1 195 19 19 THR CA C 66.408 0.3 1 196 19 19 THR CB C 68.864 0.3 1 197 19 19 THR CG2 C 22.217 0.3 1 198 19 19 THR N N 124.793 0.3 1 199 20 20 THR H H 8 0.02 1 200 20 20 THR HA H 4.127 0.02 1 201 20 20 THR HB H 4.393 0.02 1 202 20 20 THR HG2 H 1.35 0.02 1 203 20 20 THR CA C 63.895 0.3 1 204 20 20 THR CB C 68.502 0.3 1 205 20 20 THR CG2 C 22.177 0.3 1 206 20 20 THR N N 109.879 0.3 1 207 21 21 GLU H H 7.974 0.02 1 208 21 21 GLU HA H 4.682 0.02 1 209 21 21 GLU HB2 H 2.548 0.02 2 210 21 21 GLU HB3 H 1.987 0.02 2 211 21 21 GLU HG2 H 2.446 0.02 2 212 21 21 GLU HG3 H 2.232 0.02 2 213 21 21 GLU CA C 55.835 0.3 1 214 21 21 GLU CB C 30.742 0.3 1 215 21 21 GLU CG C 35.751 0.3 1 216 21 21 GLU N N 118.795 0.3 1 217 22 22 VAL H H 7.514 0.02 1 218 22 22 VAL HA H 3.474 0.02 1 219 22 22 VAL HB H 2.181 0.02 1 220 22 22 VAL HG1 H 1.094 0.02 2 221 22 22 VAL HG2 H 0.982 0.02 2 222 22 22 VAL CA C 66.529 0.3 1 223 22 22 VAL CB C 31.761 0.3 1 224 22 22 VAL CG1 C 23.077 0.3 1 225 22 22 VAL CG2 C 21.987 0.3 1 226 22 22 VAL N N 119.291 0.3 1 227 23 23 GLY H H 8.769 0.02 1 228 23 23 GLY HA2 H 3.927 0.02 2 229 23 23 GLY HA3 H 3.878 0.02 2 230 23 23 GLY CA C 46.47 0.3 1 231 23 23 GLY N N 108.294 0.3 1 232 24 24 LYS H H 7.856 0.02 1 233 24 24 LYS HA H 4.129 0.02 1 234 24 24 LYS HB2 H 2 0.02 2 235 24 24 LYS HB3 H 1.849 0.02 2 236 24 24 LYS HG2 H 1.514 0.02 1 237 24 24 LYS HG3 H 1.514 0.02 1 238 24 24 LYS HD2 H 1.778 0.02 2 239 24 24 LYS HD3 H 1.825 0.02 2 240 24 24 LYS HE2 H 3.119 0.02 2 241 24 24 LYS HE3 H 3.093 0.02 2 242 24 24 LYS CA C 58.903 0.3 1 243 24 24 LYS CB C 32.908 0.3 1 244 24 24 LYS CG C 26.171 0.3 1 245 24 24 LYS CD C 29.647 0.3 1 246 24 24 LYS CE C 42.427 0.3 1 247 24 24 LYS N N 120.635 0.3 1 248 25 25 ILE H H 7.489 0.02 1 249 25 25 ILE HA H 4.123 0.02 1 250 25 25 ILE HB H 1.842 0.02 1 251 25 25 ILE HG12 H 1.516 0.02 2 252 25 25 ILE HG13 H 1.013 0.02 2 253 25 25 ILE HG2 H 0.799 0.02 1 254 25 25 ILE HD1 H 0.751 0.02 1 255 25 25 ILE CA C 62.303 0.3 1 256 25 25 ILE CB C 39.51 0.3 1 257 25 25 ILE CG1 C 28.075 0.3 1 258 25 25 ILE CG2 C 17.57 0.3 1 259 25 25 ILE CD1 C 13.742 0.3 1 260 25 25 ILE N N 112.973 0.3 1 261 26 26 LEU H H 7.804 0.02 1 262 26 26 LEU HA H 4.393 0.02 1 263 26 26 LEU HB2 H 1.765 0.02 2 264 26 26 LEU HB3 H 1.603 0.02 2 265 26 26 LEU HG H 1.603 0.02 1 266 26 26 LEU HD1 H 0.865 0.02 2 267 26 26 LEU HD2 H 0.859 0.02 2 268 26 26 LEU CA C 54.674 0.3 1 269 26 26 LEU CB C 42.697 0.3 1 270 26 26 LEU CG C 26.763 0.3 1 271 26 26 LEU CD1 C 22.29 0.3 1 272 26 26 LEU CD2 C 25.289 0.3 1 273 26 26 LEU N N 114.935 0.3 1 274 27 27 GLY H H 8.185 0.02 1 275 27 27 GLY HA2 H 4.124 0.02 2 276 27 27 GLY HA3 H 4.014 0.02 2 277 27 27 GLY CA C 45.086 0.3 1 278 27 27 GLY N N 108.45 0.3 1 279 28 28 ASN H H 9.306 0.02 1 280 28 28 ASN HA H 4.382 0.02 1 281 28 28 ASN HB2 H 3.074 0.02 2 282 28 28 ASN HB3 H 2.719 0.02 2 283 28 28 ASN HD21 H 7.674 0.02 1 284 28 28 ASN HD22 H 6.902 0.02 1 285 28 28 ASN CA C 53.899 0.3 1 286 28 28 ASN CB C 36.625 0.3 1 287 28 28 ASN N N 120.165 0.3 1 288 28 28 ASN ND2 N 112.576 0.3 1 289 29 29 ARG H H 9.167 0.02 1 290 29 29 ARG HA H 3.885 0.02 1 291 29 29 ARG HB2 H 1.941 0.02 1 292 29 29 ARG HB3 H 1.941 0.02 1 293 29 29 ARG HG2 H 1.61 0.02 1 294 29 29 ARG HG3 H 1.61 0.02 1 295 29 29 ARG HD2 H 3.217 0.02 1 296 29 29 ARG HD3 H 3.217 0.02 1 297 29 29 ARG HH11 H 7.194 0.02 1 298 29 29 ARG CA C 56.953 0.3 1 299 29 29 ARG CB C 26.759 0.3 1 300 29 29 ARG CG C 27.555 0.3 1 301 29 29 ARG CD C 43.466 0.3 1 302 29 29 ARG N N 114.872 0.3 1 303 29 29 ARG NH1 N 85.173 0.3 1 304 30 30 ALA H H 7.587 0.02 1 305 30 30 ALA HA H 4.082 0.02 1 306 30 30 ALA HB H 1.521 0.02 1 307 30 30 ALA CA C 51.794 0.3 1 308 30 30 ALA CB C 17.098 0.3 1 309 30 30 ALA N N 119.234 0.3 1 310 31 31 ALA H H 7.392 0.02 1 311 31 31 ALA HA H 3.976 0.02 1 312 31 31 ALA HB H 1.572 0.02 1 313 31 31 ALA CA C 56.212 0.3 1 314 31 31 ALA CB C 18.542 0.3 1 315 31 31 ALA N N 120.291 0.3 1 316 32 32 VAL H H 9.077 0.02 1 317 32 32 VAL HA H 3.809 0.02 1 318 32 32 VAL HB H 2.22 0.02 1 319 32 32 VAL HG1 H 1.113 0.02 2 320 32 32 VAL HG2 H 1.009 0.02 2 321 32 32 VAL CA C 66.341 0.3 1 322 32 32 VAL CB C 31.453 0.3 1 323 32 32 VAL CG1 C 23.242 0.3 1 324 32 32 VAL CG2 C 21.996 0.3 1 325 32 32 VAL N N 118.726 0.3 1 326 33 33 LYS H H 7.01 0.02 1 327 33 33 LYS HA H 3.588 0.02 1 328 33 33 LYS HB2 H 2.143 0.02 2 329 33 33 LYS HB3 H 1.808 0.02 2 330 33 33 LYS HG2 H 1.365 0.02 2 331 33 33 LYS HG3 H 1.161 0.02 2 332 33 33 LYS HD2 H 1.478 0.02 1 333 33 33 LYS HD3 H 1.478 0.02 1 334 33 33 LYS HE2 H 3.049 0.02 2 335 33 33 LYS HE3 H 2.927 0.02 2 336 33 33 LYS CA C 60.724 0.3 1 337 33 33 LYS CB C 33.182 0.3 1 338 33 33 LYS CG C 24.981 0.3 1 339 33 33 LYS CD C 29.164 0.3 1 340 33 33 LYS CE C 41.33 0.3 1 341 33 33 LYS N N 119.997 0.3 1 342 34 34 LYS H H 8.524 0.02 1 343 34 34 LYS HA H 4.317 0.02 1 344 34 34 LYS HB2 H 1.959 0.02 2 345 34 34 LYS HB3 H 1.903 0.02 2 346 34 34 LYS HG2 H 1.715 0.02 2 347 34 34 LYS HG3 H 1.614 0.02 2 348 34 34 LYS HD2 H 1.71 0.02 1 349 34 34 LYS HD3 H 1.71 0.02 1 350 34 34 LYS HE2 H 3.048 0.02 1 351 34 34 LYS HE3 H 3.048 0.02 1 352 34 34 LYS CA C 59.047 0.3 1 353 34 34 LYS CB C 32.275 0.3 1 354 34 34 LYS CG C 25.939 0.3 1 355 34 34 LYS CD C 29.124 0.3 1 356 34 34 LYS CE C 42.19 0.3 1 357 34 34 LYS N N 115.461 0.3 1 358 35 35 HIS H H 8.167 0.02 1 359 35 35 HIS HA H 4.354 0.02 1 360 35 35 HIS HB2 H 3.593 0.02 2 361 35 35 HIS HB3 H 3.393 0.02 2 362 35 35 HIS HD2 H 7.18 0.02 1 363 35 35 HIS HE1 H 8.501 0.02 1 364 35 35 HIS CA C 59.174 0.3 1 365 35 35 HIS CB C 28.383 0.3 1 366 35 35 HIS CD2 C 119.797 0.3 1 367 35 35 HIS CE1 C 136.588 0.3 1 368 35 35 HIS N N 118.578 0.3 1 369 36 36 ILE H H 8.285 0.02 1 370 36 36 ILE HA H 3.723 0.02 1 371 36 36 ILE HB H 1.843 0.02 1 372 36 36 ILE HG12 H 1.102 0.02 1 373 36 36 ILE HG13 H 1.102 0.02 1 374 36 36 ILE HG2 H 1.04 0.02 1 375 36 36 ILE HD1 H 0.751 0.02 1 376 36 36 ILE CA C 65.798 0.3 1 377 36 36 ILE CB C 38.435 0.3 1 378 36 36 ILE CG1 C 29.15 0.3 1 379 36 36 ILE CG2 C 19.048 0.3 1 380 36 36 ILE CD1 C 13.751 0.3 1 381 36 36 ILE N N 121.39 0.3 1 382 37 37 GLU H H 8.469 0.02 1 383 37 37 GLU HA H 4.489 0.02 1 384 37 37 GLU HB2 H 2.312 0.02 2 385 37 37 GLU HB3 H 2.175 0.02 2 386 37 37 GLU HG2 H 2.704 0.02 2 387 37 37 GLU HG3 H 2.236 0.02 2 388 37 37 GLU CA C 59.402 0.3 1 389 37 37 GLU CB C 29.943 0.3 1 390 37 37 GLU CG C 37.906 0.3 1 391 37 37 GLU N N 119.051 0.3 1 392 38 38 ARG H H 7.865 0.02 1 393 38 38 ARG HA H 4.197 0.02 1 394 38 38 ARG HB2 H 1.933 0.02 2 395 38 38 ARG HB3 H 1.869 0.02 2 396 38 38 ARG HG2 H 1.758 0.02 2 397 38 38 ARG HG3 H 1.661 0.02 2 398 38 38 ARG HD2 H 3.214 0.02 2 399 38 38 ARG HD3 H 3.117 0.02 2 400 38 38 ARG HH11 H 7.276 0.02 1 401 38 38 ARG CA C 58.05 0.3 1 402 38 38 ARG CB C 30.103 0.3 1 403 38 38 ARG CG C 27.114 0.3 1 404 38 38 ARG CD C 43.212 0.3 1 405 38 38 ARG N N 115.908 0.3 1 406 38 38 ARG NH1 N 84.762 0.3 1 407 39 39 GLN H H 8.23 0.02 1 408 39 39 GLN HA H 3.617 0.02 1 409 39 39 GLN HB2 H 1.59 0.02 2 410 39 39 GLN HB3 H 1.18 0.02 2 411 39 39 GLN HG2 H 1.649 0.02 2 412 39 39 GLN HG3 H 0.988 0.02 2 413 39 39 GLN HE21 H 6.987 0.02 1 414 39 39 GLN HE22 H 6.591 0.02 1 415 39 39 GLN CA C 58.685 0.3 1 416 39 39 GLN CB C 28.287 0.3 1 417 39 39 GLN CG C 32.403 0.3 1 418 39 39 GLN N N 120.02 0.3 1 419 39 39 GLN NE2 N 109.666 0.3 1 420 40 40 PHE H H 7.627 0.02 1 421 40 40 PHE HA H 4.794 0.02 1 422 40 40 PHE HB2 H 3.575 0.02 2 423 40 40 PHE HB3 H 2.586 0.02 2 424 40 40 PHE HD1 H 7.353 0.02 1 425 40 40 PHE HD2 H 7.353 0.02 1 426 40 40 PHE HE1 H 7.21 0.02 3 427 40 40 PHE HE2 H 7.208 0.02 3 428 40 40 PHE CA C 56.786 0.3 1 429 40 40 PHE CB C 39.545 0.3 1 430 40 40 PHE CD1 C 131.722 0.3 1 431 40 40 PHE CD2 C 131.722 0.3 1 432 40 40 PHE CE1 C 131.161 0.3 1 433 40 40 PHE CE2 C 129.94 0.3 1 434 40 40 PHE N N 112.547 0.3 1 435 41 41 ASN H H 7.477 0.02 1 436 41 41 ASN HA H 4.486 0.02 1 437 41 41 ASN HB2 H 3.148 0.02 2 438 41 41 ASN HB3 H 2.65 0.02 2 439 41 41 ASN HD21 H 7.567 0.02 1 440 41 41 ASN HD22 H 6.811 0.02 1 441 41 41 ASN CA C 53.58 0.3 1 442 41 41 ASN CB C 37.039 0.3 1 443 41 41 ASN N N 117.217 0.3 1 444 41 41 ASN ND2 N 111.484 0.3 1 445 42 42 CYS H H 8.938 0.02 1 446 42 42 CYS HA H 5.645 0.02 1 447 42 42 CYS HB2 H 2.952 0.02 2 448 42 42 CYS HB3 H 2.632 0.02 2 449 42 42 CYS CA C 54.949 0.3 1 450 42 42 CYS CB C 32.646 0.3 1 451 42 42 CYS N N 113.375 0.3 1 452 43 43 VAL H H 8.847 0.02 1 453 43 43 VAL HA H 4.36 0.02 1 454 43 43 VAL HB H 1.785 0.02 1 455 43 43 VAL HG1 H 0.854 0.02 2 456 43 43 VAL HG2 H 0.828 0.02 2 457 43 43 VAL CA C 62.057 0.3 1 458 43 43 VAL CB C 34.741 0.3 1 459 43 43 VAL CG1 C 20.957 0.3 1 460 43 43 VAL CG2 C 21.146 0.3 1 461 43 43 VAL N N 118.875 0.3 1 462 44 44 ILE H H 10.218 0.02 1 463 44 44 ILE HA H 4.348 0.02 1 464 44 44 ILE HB H 1.585 0.02 1 465 44 44 ILE HG12 H 1.753 0.02 1 466 44 44 ILE HG13 H 1.753 0.02 1 467 44 44 ILE HG2 H 0.608 0.02 1 468 44 44 ILE HD1 H 0.791 0.02 1 469 44 44 ILE CA C 59.958 0.3 1 470 44 44 ILE CB C 39.462 0.3 1 471 44 44 ILE CG1 C 28.299 0.3 1 472 44 44 ILE CG2 C 16.684 0.3 1 473 44 44 ILE CD1 C 13.196 0.3 1 474 44 44 ILE N N 130.684 0.3 1 475 45 45 THR H H 9.252 0.02 1 476 45 45 THR HA H 4.426 0.02 1 477 45 45 THR HB H 3.77 0.02 1 478 45 45 THR HG2 H 0.612 0.02 1 479 45 45 THR CA C 61.116 0.3 1 480 45 45 THR CB C 70.025 0.3 1 481 45 45 THR CG2 C 20.379 0.3 1 482 45 45 THR N N 123.497 0.3 1 483 46 46 VAL H H 9.407 0.02 1 484 46 46 VAL HA H 4.099 0.02 1 485 46 46 VAL HB H 2.225 0.02 1 486 46 46 VAL HG1 H 0.836 0.02 2 487 46 46 VAL HG2 H 0.836 0.02 2 488 46 46 VAL CA C 61.688 0.3 1 489 46 46 VAL CB C 31.327 0.3 1 490 46 46 VAL CG1 C 22.232 0.3 1 491 46 46 VAL CG2 C 20.933 0.3 1 492 46 46 VAL N N 128.42 0.3 1 493 47 47 HIS H H 8.56 0.02 1 494 47 47 HIS HA H 5.027 0.02 1 495 47 47 HIS HB2 H 3.155 0.02 2 496 47 47 HIS HB3 H 3.096 0.02 2 497 47 47 HIS HD2 H 6.662 0.02 1 498 47 47 HIS HE1 H 8.574 0.02 1 499 47 47 HIS CA C 55.542 0.3 1 500 47 47 HIS CB C 26.507 0.3 1 501 47 47 HIS CD2 C 118.013 0.3 1 502 47 47 HIS CE1 C 136.867 0.3 1 503 47 47 HIS N N 127.923 0.3 1 504 48 48 THR H H 7.814 0.02 1 505 48 48 THR HA H 4.11 0.02 1 506 48 48 THR HB H 4.379 0.02 1 507 48 48 THR HG2 H 1.205 0.02 1 508 48 48 THR CA C 63.606 0.3 1 509 48 48 THR CB C 68.127 0.3 1 510 48 48 THR CG2 C 22.761 0.3 1 511 48 48 THR N N 112.555 0.3 1 512 49 49 GLU H H 10.233 0.02 1 513 49 49 GLU HA H 4.423 0.02 1 514 49 49 GLU HB2 H 2.129 0.02 1 515 49 49 GLU HB3 H 2.129 0.02 1 516 49 49 GLU HG2 H 2.598 0.02 2 517 49 49 GLU HG3 H 2.22 0.02 2 518 49 49 GLU CA C 57.006 0.3 1 519 49 49 GLU CB C 27.525 0.3 1 520 49 49 GLU CG C 35.186 0.3 1 521 49 49 GLU N N 123.134 0.3 1 522 50 50 VAL H H 7.732 0.02 1 523 50 50 VAL HA H 4.24 0.02 1 524 50 50 VAL HB H 2.136 0.02 1 525 50 50 VAL HG1 H 1.053 0.02 2 526 50 50 VAL HG2 H 0.942 0.02 2 527 50 50 VAL CA C 61.862 0.3 1 528 50 50 VAL CB C 32.499 0.3 1 529 50 50 VAL CG1 C 21.2 0.3 1 530 50 50 VAL CG2 C 21.171 0.3 1 531 50 50 VAL N N 123.004 0.3 1 532 51 51 GLN H H 8.465 0.02 1 533 51 51 GLN HA H 4.808 0.02 1 534 51 51 GLN HB2 H 2.133 0.02 2 535 51 51 GLN HB3 H 1.975 0.02 2 536 51 51 GLN HG2 H 2.416 0.02 2 537 51 51 GLN HG3 H 2.358 0.02 2 538 51 51 GLN HE21 H 7.529 0.02 1 539 51 51 GLN HE22 H 6.9 0.02 1 540 51 51 GLN CA C 55.066 0.3 1 541 51 51 GLN CB C 30.186 0.3 1 542 51 51 GLN CG C 33.819 0.3 1 543 51 51 GLN N N 124.883 0.3 1 544 51 51 GLN NE2 N 112.419 0.3 1 545 52 52 SER H H 8.894 0.02 1 546 52 52 SER HA H 4.576 0.02 1 547 52 52 SER HB2 H 3.785 0.02 2 548 52 52 SER HB3 H 3.645 0.02 2 549 52 52 SER CA C 57.548 0.3 1 550 52 52 SER CB C 65.097 0.3 1 551 52 52 SER N N 118.25 0.3 1 552 53 53 SER H H 8.9 0.02 1 553 53 53 SER HA H 4.385 0.02 1 554 53 53 SER HB2 H 3.736 0.02 1 555 53 53 SER HB3 H 3.736 0.02 1 556 53 53 SER CA C 59.067 0.3 1 557 53 53 SER CB C 62.905 0.3 1 558 53 53 SER N N 118.046 0.3 1 559 54 54 PHE H H 7.735 0.02 1 560 54 54 PHE HA H 4.672 0.02 1 561 54 54 PHE HB2 H 3.076 0.02 1 562 54 54 PHE HB3 H 3.076 0.02 1 563 54 54 PHE HD1 H 7.138 0.02 3 564 54 54 PHE HD2 H 7.151 0.02 3 565 54 54 PHE HE1 H 6.832 0.02 1 566 54 54 PHE HE2 H 6.832 0.02 1 567 54 54 PHE CA C 56.904 0.3 1 568 54 54 PHE CB C 37.911 0.3 1 569 54 54 PHE CD1 C 131.989 0.3 1 570 54 54 PHE CD2 C 131.546 0.3 1 571 54 54 PHE CE1 C 129.54 0.3 1 572 54 54 PHE CE2 C 129.54 0.3 1 573 54 54 PHE N N 119.228 0.3 1 574 55 55 GLY H H 8.027 0.02 1 575 55 55 GLY HA2 H 4.072 0.02 2 576 55 55 GLY HA3 H 3.802 0.02 2 577 55 55 GLY CA C 46.402 0.3 1 578 55 55 GLY N N 108.668 0.3 1 579 56 56 ALA H H 7.546 0.02 1 580 56 56 ALA HA H 5.4 0.02 1 581 56 56 ALA HB H 1.361 0.02 1 582 56 56 ALA CA C 50.737 0.3 1 583 56 56 ALA CB C 23.718 0.3 1 584 56 56 ALA N N 122.922 0.3 1 585 57 57 THR H H 9.707 0.02 1 586 57 57 THR HA H 5.013 0.02 1 587 57 57 THR HB H 3.567 0.02 1 588 57 57 THR HG2 H 1.085 0.02 1 589 57 57 THR CA C 59.67 0.3 1 590 57 57 THR CB C 74.039 0.3 1 591 57 57 THR CG2 C 20.672 0.3 1 592 57 57 THR N N 119.015 0.3 1 593 58 58 PRO HA H 4.085 0.02 1 594 58 58 PRO HB2 H 1.095 0.02 2 595 58 58 PRO HB3 H 0.324 0.02 2 596 58 58 PRO HG2 H 1.854 0.02 2 597 58 58 PRO HG3 H 1.384 0.02 2 598 58 58 PRO HD2 H 3.973 0.02 2 599 58 58 PRO HD3 H 3.808 0.02 2 600 58 58 PRO CA C 62.115 0.3 1 601 58 58 PRO CB C 30.257 0.3 1 602 58 58 PRO CG C 26.13 0.3 1 603 58 58 PRO CD C 50.372 0.3 1 604 59 59 VAL H H 8.775 0.02 1 605 59 59 VAL HA H 4.622 0.02 1 606 59 59 VAL HB H 2.058 0.02 1 607 59 59 VAL HG1 H 0.878 0.02 2 608 59 59 VAL HG2 H 0.721 0.02 2 609 59 59 VAL CA C 60.435 0.3 1 610 59 59 VAL CB C 33.596 0.3 1 611 59 59 VAL CG1 C 22.269 0.3 1 612 59 59 VAL CG2 C 21.695 0.3 1 613 59 59 VAL N N 123.139 0.3 1 614 60 60 GLU H H 9.104 0.02 1 615 60 60 GLU HA H 5.175 0.02 1 616 60 60 GLU HB2 H 2.08 0.02 2 617 60 60 GLU HB3 H 1.884 0.02 2 618 60 60 GLU HG2 H 2.086 0.02 1 619 60 60 GLU HG3 H 2.086 0.02 1 620 60 60 GLU CA C 54.275 0.3 1 621 60 60 GLU CB C 33.285 0.3 1 622 60 60 GLU CG C 36.87 0.3 1 623 60 60 GLU N N 126.828 0.3 1 624 61 61 ILE H H 8.982 0.02 1 625 61 61 ILE HA H 4.697 0.02 1 626 61 61 ILE HB H 1.666 0.02 1 627 61 61 ILE HG12 H 1.497 0.02 2 628 61 61 ILE HG13 H 0.837 0.02 2 629 61 61 ILE HG2 H 0.856 0.02 1 630 61 61 ILE HD1 H 0.649 0.02 1 631 61 61 ILE CA C 60.925 0.3 1 632 61 61 ILE CB C 40.384 0.3 1 633 61 61 ILE CG1 C 27.813 0.3 1 634 61 61 ILE CG2 C 18.527 0.3 1 635 61 61 ILE CD1 C 13.537 0.3 1 636 61 61 ILE N N 125.762 0.3 1 637 62 62 VAL H H 8.73 0.02 1 638 62 62 VAL HA H 5.112 0.02 1 639 62 62 VAL HB H 1.907 0.02 1 640 62 62 VAL HG1 H 0.901 0.02 2 641 62 62 VAL HG2 H 0.902 0.02 2 642 62 62 VAL CA C 60.614 0.3 1 643 62 62 VAL CB C 34.315 0.3 1 644 62 62 VAL CG1 C 21.422 0.3 1 645 62 62 VAL CG2 C 21.373 0.3 1 646 62 62 VAL N N 126.054 0.3 1 647 63 63 ALA H H 9.094 0.02 1 648 63 63 ALA HA H 4.949 0.02 1 649 63 63 ALA HB H 1.594 0.02 1 650 63 63 ALA CA C 50.46 0.3 1 651 63 63 ALA CB C 23.192 0.3 1 652 63 63 ALA N N 129.016 0.3 1 653 64 64 GLN H H 9.365 0.02 1 654 64 64 GLN HA H 4.347 0.02 1 655 64 64 GLN HB2 H 2.317 0.02 2 656 64 64 GLN HB3 H 2.125 0.02 2 657 64 64 GLN HG2 H 2.537 0.02 2 658 64 64 GLN HG3 H 2.514 0.02 2 659 64 64 GLN CA C 57.061 0.3 1 660 64 64 GLN CB C 29.268 0.3 1 661 64 64 GLN CG C 34.228 0.3 1 662 64 64 GLN N N 116.487 0.3 1 663 65 65 ASN H H 7.458 0.02 1 664 65 65 ASN HA H 4.868 0.02 1 665 65 65 ASN HB2 H 3.015 0.02 1 666 65 65 ASN HB3 H 3.015 0.02 1 667 65 65 ASN HD21 H 7.622 0.02 1 668 65 65 ASN HD22 H 6.982 0.02 1 669 65 65 ASN CA C 51.984 0.3 1 670 65 65 ASN CB C 40.89 0.3 1 671 65 65 ASN N N 109.801 0.3 1 672 65 65 ASN ND2 N 114.537 0.3 1 673 66 66 LYS H H 9.078 0.02 1 674 66 66 LYS HA H 3.749 0.02 1 675 66 66 LYS HB2 H 1.808 0.02 1 676 66 66 LYS HB3 H 1.808 0.02 1 677 66 66 LYS HG2 H 1.439 0.02 2 678 66 66 LYS HG3 H 1.362 0.02 2 679 66 66 LYS HD2 H 1.683 0.02 1 680 66 66 LYS HD3 H 1.683 0.02 1 681 66 66 LYS HE2 H 3.002 0.02 1 682 66 66 LYS HE3 H 3.002 0.02 1 683 66 66 LYS CA C 60.011 0.3 1 684 66 66 LYS CB C 32.636 0.3 1 685 66 66 LYS CG C 25.068 0.3 1 686 66 66 LYS CD C 29.195 0.3 1 687 66 66 LYS CE C 41.908 0.3 1 688 66 66 LYS N N 122.034 0.3 1 689 67 67 GLU H H 8.636 0.02 1 690 67 67 GLU HA H 4.004 0.02 1 691 67 67 GLU HB2 H 2.146 0.02 2 692 67 67 GLU HB3 H 2.004 0.02 2 693 67 67 GLU HG2 H 2.397 0.02 2 694 67 67 GLU HG3 H 2.281 0.02 2 695 67 67 GLU CA C 60.222 0.3 1 696 67 67 GLU CB C 28.223 0.3 1 697 67 67 GLU CG C 35.803 0.3 1 698 67 67 GLU N N 121.185 0.3 1 699 68 68 GLN H H 8.607 0.02 1 700 68 68 GLN HA H 4.089 0.02 1 701 68 68 GLN HB2 H 2.513 0.02 2 702 68 68 GLN HB3 H 2.149 0.02 2 703 68 68 GLN HG2 H 2.741 0.02 2 704 68 68 GLN HG3 H 2.584 0.02 2 705 68 68 GLN HE21 H 7.769 0.02 1 706 68 68 GLN HE22 H 6.976 0.02 1 707 68 68 GLN CA C 59.353 0.3 1 708 68 68 GLN CB C 28.62 0.3 1 709 68 68 GLN CG C 36.09 0.3 1 710 68 68 GLN N N 118.053 0.3 1 711 68 68 GLN NE2 N 111.879 0.3 1 712 69 69 CYS H H 7.466 0.02 1 713 69 69 CYS HA H 3.674 0.02 1 714 69 69 CYS HB2 H 2.914 0.02 2 715 69 69 CYS HB3 H 2.838 0.02 2 716 69 69 CYS CA C 63.788 0.3 1 717 69 69 CYS CB C 26.497 0.3 1 718 69 69 CYS N N 117.444 0.3 1 719 70 70 GLN H H 8.027 0.02 1 720 70 70 GLN HA H 3.752 0.02 1 721 70 70 GLN HB2 H 2.151 0.02 2 722 70 70 GLN HB3 H 2.054 0.02 2 723 70 70 GLN HG2 H 2.419 0.02 2 724 70 70 GLN HG3 H 2.344 0.02 2 725 70 70 GLN HE21 H 7.47 0.02 1 726 70 70 GLN HE22 H 6.916 0.02 1 727 70 70 GLN CA C 58.628 0.3 1 728 70 70 GLN CB C 27.884 0.3 1 729 70 70 GLN CG C 33.65 0.3 1 730 70 70 GLN N N 116.883 0.3 1 731 70 70 GLN NE2 N 111.583 0.3 1 732 71 71 GLU H H 8.252 0.02 1 733 71 71 GLU HA H 3.75 0.02 1 734 71 71 GLU HB2 H 1.578 0.02 2 735 71 71 GLU HB3 H 1.401 0.02 2 736 71 71 GLU HG2 H 2.539 0.02 2 737 71 71 GLU HG3 H 2.237 0.02 2 738 71 71 GLU CA C 58.892 0.3 1 739 71 71 GLU CB C 28.875 0.3 1 740 71 71 GLU CG C 35.23 0.3 1 741 71 71 GLU N N 119.488 0.3 1 742 72 72 ALA H H 7.815 0.02 1 743 72 72 ALA HA H 3.465 0.02 1 744 72 72 ALA HB H 1.336 0.02 1 745 72 72 ALA CA C 54.937 0.3 1 746 72 72 ALA CB C 19.882 0.3 1 747 72 72 ALA N N 123.286 0.3 1 748 73 73 ARG H H 8.132 0.02 1 749 73 73 ARG HA H 3.519 0.02 1 750 73 73 ARG HB2 H 2.014 0.02 2 751 73 73 ARG HB3 H 1.765 0.02 2 752 73 73 ARG HG2 H 1.631 0.02 2 753 73 73 ARG HG3 H 1.353 0.02 2 754 73 73 ARG HD2 H 3.115 0.02 1 755 73 73 ARG HD3 H 3.115 0.02 1 756 73 73 ARG HH11 H 7.217 0.02 1 757 73 73 ARG CA C 59.963 0.3 1 758 73 73 ARG CB C 28.63 0.3 1 759 73 73 ARG CG C 26.019 0.3 1 760 73 73 ARG CD C 43.13 0.3 1 761 73 73 ARG N N 118.915 0.3 1 762 73 73 ARG NH1 N 83.078 0.3 1 763 74 74 ASN H H 8.386 0.02 1 764 74 74 ASN HA H 4.279 0.02 1 765 74 74 ASN HB2 H 2.824 0.02 1 766 74 74 ASN HB3 H 2.824 0.02 1 767 74 74 ASN HD21 H 7.689 0.02 1 768 74 74 ASN HD22 H 6.971 0.02 1 769 74 74 ASN CA C 55.684 0.3 1 770 74 74 ASN CB C 37.05 0.3 1 771 74 74 ASN N N 118.628 0.3 1 772 74 74 ASN ND2 N 111.814 0.3 1 773 75 75 ALA H H 7.97 0.02 1 774 75 75 ALA HA H 4.171 0.02 1 775 75 75 ALA HB H 1.606 0.02 1 776 75 75 ALA CA C 55.194 0.3 1 777 75 75 ALA CB C 18.486 0.3 1 778 75 75 ALA N N 124.7 0.3 1 779 76 76 VAL H H 8.132 0.02 1 780 76 76 VAL HA H 3.439 0.02 1 781 76 76 VAL HB H 2.219 0.02 1 782 76 76 VAL HG1 H 0.96 0.02 2 783 76 76 VAL HG2 H 0.804 0.02 2 784 76 76 VAL CA C 66.681 0.3 1 785 76 76 VAL CB C 31.536 0.3 1 786 76 76 VAL CG1 C 23.172 0.3 1 787 76 76 VAL CG2 C 21.059 0.3 1 788 76 76 VAL N N 119.101 0.3 1 789 77 77 MET H H 8.325 0.02 1 790 77 77 MET HA H 4.417 0.02 1 791 77 77 MET HB2 H 2.081 0.02 1 792 77 77 MET HB3 H 2.081 0.02 1 793 77 77 MET HG2 H 2.619 0.02 2 794 77 77 MET HG3 H 2.571 0.02 2 795 77 77 MET HE H 2.056 0.02 1 796 77 77 MET CA C 56.813 0.3 1 797 77 77 MET CB C 29.767 0.3 1 798 77 77 MET CG C 31.798 0.3 1 799 77 77 MET CE C 16.126 0.3 1 800 77 77 MET N N 115.302 0.3 1 801 78 78 SER H H 8.258 0.02 1 802 78 78 SER HA H 4.245 0.02 1 803 78 78 SER HB2 H 3.999 0.02 1 804 78 78 SER HB3 H 3.999 0.02 1 805 78 78 SER CA C 61.279 0.3 1 806 78 78 SER CB C 62.901 0.3 1 807 78 78 SER N N 116.105 0.3 1 808 79 79 LEU H H 7.436 0.02 1 809 79 79 LEU HA H 4.272 0.02 1 810 79 79 LEU HB2 H 1.964 0.02 2 811 79 79 LEU HB3 H 1.601 0.02 2 812 79 79 LEU HG H 1.934 0.02 1 813 79 79 LEU HD1 H 0.898 0.02 2 814 79 79 LEU HD2 H 0.891 0.02 2 815 79 79 LEU CA C 55.975 0.3 1 816 79 79 LEU CB C 42.443 0.3 1 817 79 79 LEU CG C 26.318 0.3 1 818 79 79 LEU CD1 C 26.208 0.3 1 819 79 79 LEU CD2 C 23.183 0.3 1 820 79 79 LEU N N 120.004 0.3 1 821 80 80 MET H H 7.577 0.02 1 822 80 80 MET HA H 4.598 0.02 1 823 80 80 MET HB2 H 2.273 0.02 2 824 80 80 MET HB3 H 2.083 0.02 2 825 80 80 MET HG2 H 2.851 0.02 2 826 80 80 MET HG3 H 2.795 0.02 2 827 80 80 MET HE H 2.046 0.02 1 828 80 80 MET CA C 54.641 0.3 1 829 80 80 MET CB C 33.336 0.3 1 830 80 80 MET CG C 32.317 0.3 1 831 80 80 MET CE C 18.7 0.3 1 832 80 80 MET N N 115.508 0.3 1 833 81 81 GLN H H 8.401 0.02 1 834 81 81 GLN HA H 4.323 0.02 1 835 81 81 GLN HB2 H 2.126 0.02 2 836 81 81 GLN HB3 H 2.056 0.02 2 837 81 81 GLN HG2 H 2.411 0.02 1 838 81 81 GLN HG3 H 2.411 0.02 1 839 81 81 GLN HE21 H 7.552 0.02 1 840 81 81 GLN HE22 H 6.903 0.02 1 841 81 81 GLN CA C 56.03 0.3 1 842 81 81 GLN CB C 29.397 0.3 1 843 81 81 GLN CG C 33.724 0.3 1 844 81 81 GLN N N 120.21 0.3 1 845 81 81 GLN NE2 N 112.309 0.3 1 846 82 82 SER H H 8.344 0.02 1 847 82 82 SER HA H 4.415 0.02 1 848 82 82 SER HB2 H 3.881 0.02 1 849 82 82 SER HB3 H 3.881 0.02 1 850 82 82 SER CA C 58.326 0.3 1 851 82 82 SER CB C 63.685 0.3 1 852 82 82 SER N N 116.571 0.3 1 853 83 83 HIS H H 8.618 0.02 1 854 83 83 HIS HA H 4.72 0.02 1 855 83 83 HIS HB2 H 3.297 0.02 2 856 83 83 HIS HB3 H 3.184 0.02 2 857 83 83 HIS HD2 H 7.29 0.02 1 858 83 83 HIS HE1 H 8.603 0.02 1 859 83 83 HIS CA C 55.259 0.3 1 860 83 83 HIS CB C 28.889 0.3 1 861 83 83 HIS CD2 C 120.097 0.3 1 862 83 83 HIS CE1 C 136.358 0.3 1 863 83 83 HIS N N 120.577 0.3 1 864 84 84 GLN H H 8.463 0.02 1 865 84 84 GLN HA H 4.374 0.02 1 866 84 84 GLN HB2 H 2.093 0.02 2 867 84 84 GLN HB3 H 1.953 0.02 2 868 84 84 GLN HG2 H 2.343 0.02 1 869 84 84 GLN HG3 H 2.343 0.02 1 870 84 84 GLN HE21 H 7.591 0.02 1 871 84 84 GLN HE22 H 6.873 0.02 1 872 84 84 GLN CA C 55.596 0.3 1 873 84 84 GLN CB C 29.683 0.3 1 874 84 84 GLN CG C 33.675 0.3 1 875 84 84 GLN N N 121.943 0.3 1 876 84 84 GLN NE2 N 112.698 0.3 1 877 85 85 ASP H H 8.57 0.02 1 878 85 85 ASP HA H 4.611 0.02 1 879 85 85 ASP HB2 H 2.747 0.02 2 880 85 85 ASP HB3 H 2.622 0.02 2 881 85 85 ASP CA C 54.389 0.3 1 882 85 85 ASP CB C 40.877 0.3 1 883 85 85 ASP N N 122.521 0.3 1 884 86 86 LYS H H 7.904 0.02 1 885 86 86 LYS HA H 4.152 0.02 1 886 86 86 LYS HB2 H 1.816 0.02 2 887 86 86 LYS HB3 H 1.703 0.02 2 888 86 86 LYS CA C 57.503 0.3 1 889 86 86 LYS CB C 33.645 0.3 1 890 86 86 LYS N N 125.67 0.3 1 stop_ save_