data_18702 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; RNA BINDING PROTEIN Solution structure of the third KH domain of KSRP in complex with the G-rich target sequence. ; _BMRB_accession_number 18702 _BMRB_flat_file_name bmr18702.str _Entry_type original _Submission_date 2012-09-05 _Accession_date 2012-09-05 _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 Nicastro Giuseppe . . 2 Garcia-mayoral M. F. . 3 Hollingworth D. . . 4 Kelly G. . . 5 Martin S. R. . 6 Briata P. . . 7 Gherzi R. . . 8 Ramos A. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 431 "13C chemical shifts" 235 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2013-02-25 update BMRB 'update entry citation' 2012-11-05 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Noncanonical G recognition mediates KSRP regulation of let-7 biogenesis.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 23142982 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Nicastro Giuseppe . . 2 Garcia-Mayoral 'Maria Flor' . . 3 Hollingworth David . . 4 Kelly Geoff . . 5 Martin Stephen R. . 6 Briata Paola . . 7 Gherzi Roberto . . 8 Ramos Andres . . stop_ _Journal_abbreviation 'Nat. Struct. Mol. Biol.' _Journal_name_full 'Nature structural & molecular biology' _Journal_volume 19 _Journal_issue 12 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 1282 _Page_last 1286 _Year 2012 _Details . save_ ####################################### # Cited references within the entry # ####################################### save_reference_citation _Saveframe_category citation _Citation_full . _Citation_title 'THE STRUCTURE OF THE C-TERMINAL KH DOMAINS OF KSRP REVEALS A NONCANONICAL MOTIF IMPORTANT FOR MRNA DEGRADATION' _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Garcia-mayoral M F. . 2 Hollingworth D . . 3 Masino L . . 4 Diaz-moreno I . . 5 Kelly G . . 6 Gherzi R . . 7 Chou C F. . 8 Chen C Y. . 9 Ramos A . . stop_ _Journal_abbreviation Structure _Journal_name_full . _Journal_volume . _Journal_issue . _Journal_CSD . _Book_title . _Book_chapter_title . _Book_volume . _Book_series . _Book_publisher . _Book_publisher_city . _Book_ISBN . _Conference_title . _Conference_site . _Conference_state_province . _Conference_country . _Conference_start_date . _Conference_end_date . _Conference_abstract_number . _Thesis_institution . _Thesis_institution_city . _Thesis_institution_country . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'RNA BINDING PROTEIN Solution structure of the third KH domain of KSRP in complex with the G-rich target sequence.' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'KH-TYPE SPLICING REGULATORY PROTEIN' $KH-TYPE_SPLICING_REGULATORY_PROTEIN 5'-R(*AP*GP*GP*GP*UP)-3' $5'-R(*AP*GP*GP*GP*UP)-3' stop_ _System_molecular_weight 12593.4978 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state 'all free' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_KH-TYPE_SPLICING_REGULATORY_PROTEIN _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common KH-TYPE_SPLICING_REGULATORY_PROTEIN _Molecular_mass 10903.4744 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 106 _Mol_residue_sequence ; GAMAYGSRIGGGIDVPVPRH SVGVVIGRSGEMIKKIQNDA GVRIQFKQDDGTGPEKIAHI MGPPDRCEHAARIINDLLQS LRSGPPGPPGGPGMPPGGRG RGRGQG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 ALA 3 MET 4 ALA 5 TYR 6 GLY 7 SER 8 ARG 9 ILE 10 GLY 11 GLY 12 GLY 13 ILE 14 ASP 15 VAL 16 PRO 17 VAL 18 PRO 19 ARG 20 HIS 21 SER 22 VAL 23 GLY 24 VAL 25 VAL 26 ILE 27 GLY 28 ARG 29 SER 30 GLY 31 GLU 32 MET 33 ILE 34 LYS 35 LYS 36 ILE 37 GLN 38 ASN 39 ASP 40 ALA 41 GLY 42 VAL 43 ARG 44 ILE 45 GLN 46 PHE 47 LYS 48 GLN 49 ASP 50 ASP 51 GLY 52 THR 53 GLY 54 PRO 55 GLU 56 LYS 57 ILE 58 ALA 59 HIS 60 ILE 61 MET 62 GLY 63 PRO 64 PRO 65 ASP 66 ARG 67 CYS 68 GLU 69 HIS 70 ALA 71 ALA 72 ARG 73 ILE 74 ILE 75 ASN 76 ASP 77 LEU 78 LEU 79 GLN 80 SER 81 LEU 82 ARG 83 SER 84 GLY 85 PRO 86 PRO 87 GLY 88 PRO 89 PRO 90 GLY 91 GLY 92 PRO 93 GLY 94 MET 95 PRO 96 PRO 97 GLY 98 GLY 99 ARG 100 GLY 101 ARG 102 GLY 103 ARG 104 GLY 105 GLN 106 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2014-11-09 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 2HH3 "Solution Structure Of The Third Kh Domain Of Ksrp" 100.00 106 99.06 99.06 4.21e-64 PDB 4B8T "Rna Binding Protein Solution Structure Of The Third Kh Domain Of Ksrp In Complex With The G-rich Target Sequence" 100.00 106 100.00 100.00 3.07e-65 stop_ save_ save_5'-R(*AP*GP*GP*GP*UP)-3' _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class RNA _Name_common 5'-R(*AP*GP*GP*GP*UP)-3' _Molecular_mass 1690.0234 _Mol_thiol_state 'not present' _Details . _Residue_count 5 _Mol_residue_sequence AGGGU loop_ _Residue_seq_code _Residue_label 1 A 2 G 3 G 4 G 5 U stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . 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 4B8T 4B8T . . . . . stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $KH-TYPE_SPLICING_REGULATORY_PROTEIN Human 9606 Eukaryota Metazoa . . $5'-R(*AP*GP*GP*GP*UP)-3' . . . . . . 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 $KH-TYPE_SPLICING_REGULATORY_PROTEIN 'recombinant technology' 'ESCHERICHIA COLI' . . . . $5'-R(*AP*GP*GP*GP*UP)-3' 'chemical synthesis' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '300 uM' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $KH-TYPE_SPLICING_REGULATORY_PROTEIN 300 uM '[U-13C; U-15N]' $5'-R(*AP*GP*GP*GP*UP)-3' 300 uM '[U-13C; U-15N]' stop_ save_ ############################ # Computer software used # ############################ save_ARIA _Saveframe_category software _Name ARIA _Version 1.2 loop_ _Vendor _Address _Electronic_address 'Linge, O'Donoghue and Nilges' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_AutoDep _Saveframe_category software _Name AutoDep _Version 4.3 loop_ _Vendor _Address _Electronic_address PDBe . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_CNS _Saveframe_category software _Name CNS _Version any loop_ _Vendor _Address _Electronic_address BRUNGER,ADAMS,CLORE,DELANO,GROS,GROSSE- . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_NMRPIPE _Saveframe_category software _Name NMRPIPE _Version any loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version any loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_UXNMR _Saveframe_category software _Name UXNMR _Version 3.5 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_VNMR _Saveframe_category software _Name VNMR _Version any loop_ _Vendor _Address _Electronic_address Varian . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_Bruker_Avance-700 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _Details . save_ ############################# # NMR applied experiments # ############################# save_Experiment-1_1 _Saveframe_category NMR_applied_experiment _Experiment_name Experiment-1 _Sample_label $sample_1 save_ save_NMR_spectrometer_expt _Saveframe_category NMR_applied_experiment _Experiment_name . _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details 'pH [7.4], temp [298], pressure [1], ionStrength [100.0]' loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 100.000 . mM pH 7.400 . pH pressure 1.000 . atm temperature 298.000 . 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 HDO H 1 proton ppm 4.754 internal indirect . . . 1 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 _Saveframe_category assigned_chemical_shifts _Details 'Origin nmrStar file /ebi/msd/pdb_root/Processing/prepare/4b8t/ebi/finale-chemical-shift-vuoto.txt.csh' loop_ _Experiment_label Experiment-1 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 'KH-TYPE SPLICING REGULATORY PROTEIN' _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 ALA HA H 4.299 0.001 . 2 4 4 ALA HB H 1.294 0.005 . 3 4 4 ALA CA C 52.214 0.005 . 4 4 4 ALA CB C 19.291 0.005 . 5 5 5 TYR HA H 4.516 0.001 . 6 5 5 TYR HB2 H 3.054 0.002 . 7 5 5 TYR HB3 H 2.937 0.004 . 8 5 5 TYR HD1 H 7.093 0.004 . 9 5 5 TYR HD2 H 7.093 0.004 . 10 5 5 TYR CA C 58.143 0.079 . 11 5 5 TYR CB C 38.881 0.023 . 12 8 8 ARG HA H 4.432 0.006 . 13 8 8 ARG HB2 H 1.859 0.007 . 14 8 8 ARG HB3 H 1.745 0.004 . 15 8 8 ARG HG2 H 1.605 0.002 . 16 8 8 ARG HG3 H 1.605 0.002 . 17 8 8 ARG HD2 H 3.181 0.006 . 18 8 8 ARG HD3 H 3.181 0.006 . 19 8 8 ARG CA C 56.211 0.005 . 20 8 8 ARG CB C 30.706 0.033 . 21 8 8 ARG CD C 43.318 0.002 . 22 9 9 ILE HA H 4.200 0.003 . 23 9 9 ILE HB H 1.825 0.006 . 24 9 9 ILE HG12 H 1.435 0.004 . 25 9 9 ILE HG13 H 1.131 0.006 . 26 9 9 ILE HG2 H 0.870 0.004 . 27 9 9 ILE HD1 H 0.827 0.005 . 28 9 9 ILE CA C 61.180 0.058 . 29 9 9 ILE CB C 38.884 0.046 . 30 9 9 ILE CG1 C 27.295 0.034 . 31 9 9 ILE CG2 C 17.332 0.028 . 32 9 9 ILE CD1 C 12.913 0.009 . 33 10 10 GLY HA2 H 4.056 0.002 . 34 10 10 GLY HA3 H 4.168 0.010 . 35 10 10 GLY CA C 44.311 0.009 . 36 12 12 GLY HA2 H 4.286 0.006 . 37 12 12 GLY HA3 H 4.423 0.005 . 38 12 12 GLY CA C 45.909 0.063 . 39 13 13 ILE H H 8.491 0.005 . 40 13 13 ILE HA H 4.712 0.004 . 41 13 13 ILE HB H 1.638 0.008 . 42 13 13 ILE HG12 H 1.275 0.011 . 43 13 13 ILE HG13 H 0.840 0.004 . 44 13 13 ILE HG2 H 0.815 0.004 . 45 13 13 ILE HD1 H 0.633 0.005 . 46 13 13 ILE CB C 42.565 0.030 . 47 13 13 ILE CG1 C 26.644 0.037 . 48 13 13 ILE CG2 C 17.626 0.017 . 49 13 13 ILE CD1 C 13.432 0.028 . 50 14 14 ASP H H 8.448 0.009 . 51 14 14 ASP HA H 5.537 0.002 . 52 14 14 ASP HB2 H 2.558 0.003 . 53 14 14 ASP HB3 H 2.320 0.002 . 54 14 14 ASP CA C 52.854 0.046 . 55 14 14 ASP CB C 42.651 0.023 . 56 15 15 VAL H H 9.227 0.006 . 57 15 15 VAL HA H 4.627 0.007 . 58 15 15 VAL HB H 1.930 0.003 . 59 15 15 VAL HG1 H 0.802 0.008 . 60 15 15 VAL HG2 H 0.832 0.004 . 61 15 15 VAL CA C 58.630 0.044 . 62 15 15 VAL CB C 35.211 0.041 . 63 15 15 VAL CG1 C 21.639 0.076 . 64 15 15 VAL CG2 C 20.628 0.045 . 65 16 16 PRO HA H 4.776 0.004 . 66 16 16 PRO HB2 H 1.964 0.005 . 67 16 16 PRO HB3 H 1.745 0.003 . 68 16 16 PRO HG2 H 2.149 0.003 . 69 16 16 PRO HG3 H 1.926 0.004 . 70 16 16 PRO HD2 H 3.788 0.006 . 71 16 16 PRO HD3 H 3.744 0.006 . 72 16 16 PRO CB C 32.021 0.061 . 73 16 16 PRO CG C 27.115 0.043 . 74 16 16 PRO CD C 51.008 0.054 . 75 17 17 VAL H H 9.135 0.004 . 76 17 17 VAL HA H 4.541 0.003 . 77 17 17 VAL HB H 2.044 0.005 . 78 17 17 VAL HG1 H 0.962 0.005 . 79 17 17 VAL HG2 H 0.869 0.003 . 80 17 17 VAL CA C 58.578 0.026 . 81 17 17 VAL CB C 35.736 0.041 . 82 17 17 VAL CG1 C 21.178 0.027 . 83 17 17 VAL CG2 C 21.217 0.024 . 84 18 18 PRO HA H 4.427 0.004 . 85 18 18 PRO HB2 H 2.298 0.007 . 86 18 18 PRO HB3 H 1.359 0.005 . 87 18 18 PRO HG2 H 2.080 0.004 . 88 18 18 PRO HG3 H 2.080 0.004 . 89 18 18 PRO HD2 H 3.977 0.003 . 90 18 18 PRO HD3 H 3.420 0.006 . 91 18 18 PRO CA C 63.452 0.069 . 92 18 18 PRO CB C 31.772 0.041 . 93 18 18 PRO CG C 27.937 0.042 . 94 18 18 PRO CD C 51.546 0.042 . 95 19 19 ARG H H 8.641 0.006 . 96 19 19 ARG HA H 3.743 0.003 . 97 19 19 ARG HB2 H 1.720 0.004 . 98 19 19 ARG HB3 H 1.663 0.005 . 99 19 19 ARG HG2 H 1.492 0.002 . 100 19 19 ARG HG3 H 1.374 0.005 . 101 19 19 ARG HD2 H 3.313 0.003 . 102 19 19 ARG HD3 H 3.112 0.002 . 103 19 19 ARG CA C 60.633 0.056 . 104 19 19 ARG CB C 29.860 0.012 . 105 19 19 ARG CG C 28.678 0.033 . 106 19 19 ARG CD C 42.620 0.028 . 107 20 20 HIS HA H 4.634 0.005 . 108 20 20 HIS HB2 H 3.261 0.004 . 109 20 20 HIS HB3 H 3.184 0.005 . 110 20 20 HIS HD2 H 7.124 0.007 . 111 20 20 HIS CA C 57.097 0.029 . 112 20 20 HIS CB C 29.801 0.059 . 113 21 21 SER H H 7.926 0.013 . 114 21 21 SER HA H 4.768 0.008 . 115 21 21 SER HB2 H 3.858 0.007 . 116 21 21 SER HB3 H 3.456 0.014 . 117 21 21 SER CB C 65.022 0.051 . 118 22 22 VAL H H 7.104 0.009 . 119 22 22 VAL HA H 2.997 0.005 . 120 22 22 VAL HB H 1.565 0.002 . 121 22 22 VAL HG1 H 0.674 0.005 . 122 22 22 VAL HG2 H 0.360 0.586 . 123 22 22 VAL CA C 66.839 0.039 . 124 22 22 VAL CB C 31.594 0.026 . 125 22 22 VAL CG1 C 23.900 0.032 . 126 22 22 VAL CG2 C 20.125 0.005 . 127 23 23 GLY H H 8.499 0.003 . 128 23 23 GLY HA2 H 3.553 0.004 . 129 23 23 GLY HA3 H 3.814 0.002 . 130 23 23 GLY CA C 46.838 0.022 . 131 24 24 VAL H H 7.159 0.004 . 132 24 24 VAL HA H 3.648 0.003 . 133 24 24 VAL HB H 2.023 0.004 . 134 24 24 VAL HG1 H 0.816 0.002 . 135 24 24 VAL HG2 H 0.834 0.002 . 136 24 24 VAL CA C 64.752 0.046 . 137 24 24 VAL CB C 31.776 0.036 . 138 24 24 VAL CG1 C 21.877 0.042 . 139 24 24 VAL CG2 C 21.073 0.062 . 140 25 25 VAL H H 6.857 0.005 . 141 25 25 VAL HA H 3.290 0.003 . 142 25 25 VAL HB H 1.975 0.317 . 143 25 25 VAL HG1 H 0.912 0.005 . 144 25 25 VAL HG2 H 0.787 0.003 . 145 25 25 VAL CA C 65.371 0.047 . 146 25 25 VAL CB C 30.509 2.944 . 147 25 25 VAL CG1 C 23.377 0.022 . 148 25 25 VAL CG2 C 21.223 0.056 . 149 26 26 ILE H H 7.410 0.006 . 150 26 26 ILE HA H 3.495 0.005 . 151 26 26 ILE HB H 1.571 0.003 . 152 26 26 ILE HG12 H 1.234 0.006 . 153 26 26 ILE HG13 H 0.406 0.010 . 154 26 26 ILE HG2 H -0.019 0.004 . 155 26 26 ILE HD1 H 0.953 0.004 . 156 26 26 ILE CA C 64.183 0.043 . 157 26 26 ILE CB C 38.497 0.028 . 158 26 26 ILE CG1 C 28.877 0.022 . 159 26 26 ILE CG2 C 12.51 0.026 . 160 26 26 ILE CD1 C 18.562 0.017 . 161 27 27 GLY H H 8.108 0.008 . 162 27 27 GLY HA2 H 3.791 0.003 . 163 27 27 GLY HA3 H 4.023 0.005 . 164 27 27 GLY CA C 43.591 0.033 . 165 28 28 ARG H H 8.901 0.010 . 166 28 28 ARG HA H 4.176 0.002 . 167 28 28 ARG HB2 H 1.873 0.007 . 168 28 28 ARG HB3 H 1.873 0.007 . 169 28 28 ARG HG2 H 1.710 0.005 . 170 28 28 ARG HG3 H 1.710 0.005 . 171 28 28 ARG HD2 H 3.266 0.005 . 172 28 28 ARG HD3 H 3.266 0.005 . 173 28 28 ARG CA C 58.176 0.005 . 174 28 28 ARG CB C 29.366 0.005 . 175 28 28 ARG CD C 43.499 0.005 . 176 29 29 SER HA H 4.225 0.005 . 177 29 29 SER HB2 H 4.242 0.002 . 178 29 29 SER HB3 H 4.012 0.001 . 179 29 29 SER CA C 59.145 0.005 . 180 29 29 SER CB C 62.518 0.007 . 181 30 30 GLY H H 8.161 0.005 . 182 30 30 GLY HA2 H 3.948 0.002 . 183 30 30 GLY HA3 H 3.978 0.004 . 184 30 30 GLY CA C 46.352 0.005 . 185 31 31 GLU HA H 3.934 0.006 . 186 31 31 GLU HB2 H 2.140 0.021 . 187 31 31 GLU HB3 H 2.088 0.005 . 188 31 31 GLU HG2 H 2.395 0.004 . 189 31 31 GLU HG3 H 2.395 0.004 . 190 31 31 GLU CA C 59.669 0.024 . 191 31 31 GLU CB C 29.782 0.002 . 192 31 31 GLU CG C 35.931 0.002 . 193 32 32 MET H H 7.879 0.005 . 194 32 32 MET HA H 4.749 0.003 . 195 32 32 MET HB2 H 1.845 0.002 . 196 32 32 MET HB3 H 1.824 0.005 . 197 32 32 MET HG2 H 2.829 0.005 . 198 32 32 MET HG3 H 2.379 0.006 . 199 32 32 MET HE H 2.042 0.003 . 200 32 32 MET CB C 30.402 0.034 . 201 32 32 MET CG C 32.929 0.056 . 202 32 32 MET CE C 17.348 0.046 . 203 33 33 ILE H H 8.261 0.008 . 204 33 33 ILE HA H 3.938 0.004 . 205 33 33 ILE HB H 2.074 0.004 . 206 33 33 ILE HG12 H 1.330 0.004 . 207 33 33 ILE HG13 H 1.016 0.008 . 208 33 33 ILE HG2 H 0.994 0.006 . 209 33 33 ILE HD1 H 0.505 0.006 . 210 33 33 ILE CA C 64.534 0.034 . 211 33 33 ILE CB C 37.885 0.062 . 212 33 33 ILE CG1 C 30.257 0.039 . 213 33 33 ILE CG2 C 17.378 0.022 . 214 33 33 ILE CD1 C 14.817 0.037 . 215 34 34 LYS H H 8.169 0.005 . 216 34 34 LYS HA H 3.998 0.005 . 217 34 34 LYS HB2 H 1.854 0.003 . 218 34 34 LYS HB3 H 1.812 0.003 . 219 34 34 LYS HG2 H 1.778 0.003 . 220 34 34 LYS HG3 H 1.441 0.004 . 221 34 34 LYS HD2 H 1.770 0.016 . 222 34 34 LYS HD3 H 1.601 0.006 . 223 34 34 LYS HE2 H 3.007 0.007 . 224 34 34 LYS HE3 H 3.007 0.007 . 225 34 34 LYS CA C 60.218 0.034 . 226 34 34 LYS CB C 32.855 0.057 . 227 34 34 LYS CG C 26.215 0.043 . 228 34 34 LYS CD C 29.910 0.050 . 229 34 34 LYS CE C 42.321 0.011 . 230 35 35 LYS H H 7.224 0.007 . 231 35 35 LYS HA H 4.123 0.002 . 232 35 35 LYS HB2 H 2.287 0.005 . 233 35 35 LYS HB3 H 2.002 0.004 . 234 35 35 LYS HG2 H 1.563 0.003 . 235 35 35 LYS HG3 H 1.373 0.004 . 236 35 35 LYS HD2 H 1.779 0.005 . 237 35 35 LYS HD3 H 1.695 0.004 . 238 35 35 LYS HE2 H 3.082 0.006 . 239 35 35 LYS HE3 H 3.012 0.003 . 240 35 35 LYS CA C 59.880 0.040 . 241 35 35 LYS CB C 32.268 0.042 . 242 35 35 LYS CG C 24.947 0.040 . 243 35 35 LYS CD C 29.519 0.036 . 244 35 35 LYS CE C 42.379 0.039 . 245 36 36 ILE H H 8.527 0.005 . 246 36 36 ILE HA H 3.535 0.003 . 247 36 36 ILE HB H 1.590 0.005 . 248 36 36 ILE HG12 H 1.989 0.002 . 249 36 36 ILE HG13 H 0.862 0.005 . 250 36 36 ILE HG2 H 0.665 0.004 . 251 36 36 ILE HD1 H 0.685 0.005 . 252 36 36 ILE CA C 66.470 0.041 . 253 36 36 ILE CB C 38.490 0.062 . 254 36 36 ILE CG1 C 27.971 0.046 . 255 36 36 ILE CG2 C 17.213 0.033 . 256 36 36 ILE CD1 C 13.609 0.032 . 257 37 37 GLN H H 8.300 0.008 . 258 37 37 GLN HA H 3.741 0.002 . 259 37 37 GLN HB2 H 2.340 0.004 . 260 37 37 GLN HB3 H 2.340 0.004 . 261 37 37 GLN HG2 H 2.894 0.005 . 262 37 37 GLN HG3 H 2.058 0.005 . 263 37 37 GLN HE21 H 7.622 0.005 . 264 37 37 GLN HE22 H 7.393 0.004 . 265 37 37 GLN CA C 60.243 0.019 . 266 37 37 GLN CB C 29.495 0.046 . 267 37 37 GLN CG C 37.073 0.045 . 268 38 38 ASN H H 8.116 0.004 . 269 38 38 ASN HA H 4.536 0.003 . 270 38 38 ASN HB2 H 2.932 0.003 . 271 38 38 ASN HB3 H 2.932 0.003 . 272 38 38 ASN HD21 H 7.709 0.005 . 273 38 38 ASN HD22 H 6.917 0.005 . 274 38 38 ASN CA C 55.916 0.051 . 275 38 38 ASN CB C 38.857 0.037 . 276 39 39 ASP H H 9.207 0.002 . 277 39 39 ASP HA H 4.354 0.002 . 278 39 39 ASP HB2 H 2.695 0.003 . 279 39 39 ASP HB3 H 2.463 0.004 . 280 39 39 ASP CA C 57.071 0.076 . 281 39 39 ASP CB C 40.084 0.046 . 282 40 40 ALA H H 8.061 0.006 . 283 40 40 ALA HA H 4.530 0.003 . 284 40 40 ALA HB H 1.194 0.004 . 285 40 40 ALA CA C 51.648 0.043 . 286 40 40 ALA CB C 20.066 0.023 . 287 41 41 GLY H H 7.949 0.004 . 288 41 41 GLY HA2 H 4.004 0.017 . 289 41 41 GLY HA3 H 4.055 0.006 . 290 41 41 GLY CA C 47.369 0.057 . 291 42 42 VAL H H 7.620 0.001 . 292 42 42 VAL HA H 4.959 0.005 . 293 42 42 VAL HB H 2.141 0.005 . 294 42 42 VAL HG1 H 0.562 0.006 . 295 42 42 VAL HG2 H 0.485 0.004 . 296 42 42 VAL CA C 58.413 0.039 . 297 42 42 VAL CB C 35.770 0.103 . 298 42 42 VAL CG1 C 22.479 0.029 . 299 42 42 VAL CG2 C 18.643 0.048 . 300 43 43 ARG H H 8.334 0.004 . 301 43 43 ARG HA H 4.636 0.006 . 302 43 43 ARG HB2 H 1.812 0.004 . 303 43 43 ARG HB3 H 1.666 0.004 . 304 43 43 ARG HG2 H 1.677 0.004 . 305 43 43 ARG HG3 H 1.567 0.006 . 306 43 43 ARG HD2 H 3.209 0.004 . 307 43 43 ARG HD3 H 3.209 0.004 . 308 43 43 ARG CA C 54.668 0.038 . 309 43 43 ARG CB C 32.869 0.045 . 310 43 43 ARG CG C 27.407 0.025 . 311 43 43 ARG CD C 42.590 0.005 . 312 44 44 ILE H H 9.418 0.006 . 313 44 44 ILE HA H 4.983 0.006 . 314 44 44 ILE HB H 1.403 0.005 . 315 44 44 ILE HG12 H 1.423 0.006 . 316 44 44 ILE HG13 H 0.742 0.008 . 317 44 44 ILE HG2 H 0.295 0.004 . 318 44 44 ILE HD1 H 0.586 0.007 . 319 44 44 ILE CA C 60.098 0.079 . 320 44 44 ILE CB C 40.201 0.036 . 321 44 44 ILE CG1 C 27.968 0.048 . 322 44 44 ILE CG2 C 16.721 0.054 . 323 44 44 ILE CD1 C 13.529 0.052 . 324 45 45 GLN H H 9.116 0.006 . 325 45 45 GLN HA H 5.048 0.004 . 326 45 45 GLN HB2 H 2.124 0.006 . 327 45 45 GLN HB3 H 2.056 0.004 . 328 45 45 GLN HG2 H 2.414 0.005 . 329 45 45 GLN HG3 H 2.266 0.004 . 330 45 45 GLN HE21 H 7.783 0.005 . 331 45 45 GLN CA C 53.919 0.053 . 332 45 45 GLN CB C 32.640 0.017 . 333 45 45 GLN CG C 33.382 0.050 . 334 46 46 PHE H H 9.088 0.001 . 335 46 46 PHE HA H 4.976 0.004 . 336 46 46 PHE HB2 H 3.194 0.004 . 337 46 46 PHE HB3 H 2.889 0.006 . 338 46 46 PHE HD1 H 7.067 0.008 . 339 46 46 PHE HD2 H 7.067 0.008 . 340 46 46 PHE HE1 H 6.838 0.007 . 341 46 46 PHE HE2 H 6.838 0.007 . 342 46 46 PHE HZ H 6.734 0.006 . 343 46 46 PHE CA C 60.101 0.046 . 344 46 46 PHE CB C 39.457 0.024 . 345 47 47 LYS H H 9.090 0.007 . 346 47 47 LYS HA H 4.332 0.002 . 347 47 47 LYS HB2 H 1.969 0.004 . 348 47 47 LYS HB3 H 1.831 0.006 . 349 47 47 LYS HG2 H 1.560 0.005 . 350 47 47 LYS HG3 H 1.433 0.004 . 351 47 47 LYS HD2 H 1.620 0.005 . 352 47 47 LYS HD3 H 1.620 0.005 . 353 47 47 LYS HE2 H 2.839 0.003 . 354 47 47 LYS HE3 H 2.839 0.003 . 355 47 47 LYS CA C 56.600 0.067 . 356 47 47 LYS CB C 33.531 0.064 . 357 47 47 LYS CG C 25.709 0.045 . 358 47 47 LYS CD C 29.436 0.059 . 359 47 47 LYS CE C 41.828 0.031 . 360 48 48 GLN HA H 4.344 0.003 . 361 48 48 GLN HB2 H 2.091 0.002 . 362 48 48 GLN HB3 H 2.091 0.002 . 363 48 48 GLN HG2 H 2.460 0.004 . 364 48 48 GLN HG3 H 2.460 0.004 . 365 48 48 GLN CA C 56.430 0.005 . 366 48 48 GLN CB C 28.887 0.013 . 367 48 48 GLN CG C 33.670 0.051 . 368 49 49 ASP HA H 4.842 0.004 . 369 49 49 ASP HB2 H 3.089 0.002 . 370 49 49 ASP HB3 H 2.822 0.002 . 371 49 49 ASP CA C 53.273 0.001 . 372 49 49 ASP CB C 43.209 0.004 . 373 50 50 ASP HA H 4.628 0.003 . 374 50 50 ASP HB2 H 3.056 0.003 . 375 50 50 ASP HB3 H 2.677 0.002 . 376 50 50 ASP CA C 53.670 0.010 . 377 50 50 ASP CB C 40.720 0.049 . 378 51 51 GLY H H 8.967 0.002 . 379 51 51 GLY HA2 H 3.720 0.002 . 380 51 51 GLY HA3 H 4.201 0.001 . 381 51 51 GLY CA C 45.581 0.016 . 382 52 52 THR H H 8.153 0.003 . 383 52 52 THR HA H 4.397 0.003 . 384 52 52 THR HB H 4.246 0.002 . 385 52 52 THR HG2 H 1.149 0.004 . 386 52 52 THR CA C 62.291 0.019 . 387 52 52 THR CB C 70.766 0.002 . 388 52 52 THR CG2 C 21.379 0.052 . 389 53 53 GLY HA2 H 4.255 0.004 . 390 53 53 GLY HA3 H 4.255 0.004 . 391 53 53 GLY CA C 44.630 0.043 . 392 54 54 PRO HA H 4.596 0.006 . 393 54 54 PRO HB2 H 2.332 0.003 . 394 54 54 PRO HB3 H 2.127 0.003 . 395 54 54 PRO HG2 H 2.124 0.005 . 396 54 54 PRO HG3 H 1.953 0.005 . 397 54 54 PRO HD2 H 3.827 0.005 . 398 54 54 PRO HD3 H 3.651 0.002 . 399 54 54 PRO CA C 64.364 0.020 . 400 54 54 PRO CB C 32.616 0.030 . 401 54 54 PRO CG C 26.909 0.043 . 402 54 54 PRO CD C 49.790 0.055 . 403 55 55 GLU H H 8.076 0.005 . 404 55 55 GLU HA H 4.864 0.001 . 405 55 55 GLU HB2 H 1.835 0.003 . 406 55 55 GLU HB3 H 1.737 0.003 . 407 55 55 GLU HG2 H 1.936 0.004 . 408 55 55 GLU HG3 H 1.936 0.004 . 409 55 55 GLU CB C 32.976 0.043 . 410 55 55 GLU CG C 35.783 0.037 . 411 56 56 LYS H H 8.910 0.005 . 412 56 56 LYS HA H 4.581 0.005 . 413 56 56 LYS HB2 H 1.864 0.003 . 414 56 56 LYS HB3 H 1.430 0.003 . 415 56 56 LYS HG2 H 1.555 0.004 . 416 56 56 LYS HG3 H 1.555 0.004 . 417 56 56 LYS HD2 H 1.751 0.004 . 418 56 56 LYS HD3 H 1.584 0.005 . 419 56 56 LYS HE2 H 3.082 0.004 . 420 56 56 LYS HE3 H 3.013 0.004 . 421 56 56 LYS CA C 54.886 0.037 . 422 56 56 LYS CB C 35.638 0.034 . 423 56 56 LYS CG C 25.914 0.049 . 424 56 56 LYS CD C 29.298 0.043 . 425 56 56 LYS CE C 41.874 0.019 . 426 57 57 ILE H H 9.131 0.004 . 427 57 57 ILE HA H 4.334 0.005 . 428 57 57 ILE HB H 1.848 0.002 . 429 57 57 ILE HG12 H 1.402 0.003 . 430 57 57 ILE HG13 H 1.328 0.007 . 431 57 57 ILE HG2 H 0.624 0.004 . 432 57 57 ILE HD1 H 0.650 0.004 . 433 57 57 ILE CA C 59.726 0.036 . 434 57 57 ILE CB C 38.109 0.038 . 435 57 57 ILE CG1 C 27.132 0.063 . 436 57 57 ILE CG2 C 17.970 0.023 . 437 57 57 ILE CD1 C 10.427 0.034 . 438 58 58 ALA H H 8.848 0.003 . 439 58 58 ALA HA H 3.747 0.004 . 440 58 58 ALA HB H 0.477 0.003 . 441 58 58 ALA CA C 50.425 0.068 . 442 58 58 ALA CB C 17.416 0.020 . 443 59 59 HIS H H 8.522 0.005 . 444 59 59 HIS HA H 5.346 0.003 . 445 59 59 HIS HB2 H 3.332 0.004 . 446 59 59 HIS HB3 H 2.752 0.004 . 447 59 59 HIS HD2 H 6.850 0.007 . 448 59 59 HIS CA C 54.842 0.035 . 449 59 59 HIS CB C 30.642 0.055 . 450 60 60 ILE H H 9.097 0.007 . 451 60 60 ILE HA H 4.305 0.005 . 452 60 60 ILE HB H 1.681 0.004 . 453 60 60 ILE HG12 H 1.493 0.006 . 454 60 60 ILE HG13 H 0.544 0.004 . 455 60 60 ILE HG2 H 0.760 0.004 . 456 60 60 ILE HD1 H 0.540 0.005 . 457 60 60 ILE CA C 60.940 0.043 . 458 60 60 ILE CB C 38.343 0.023 . 459 60 60 ILE CG1 C 26.644 0.036 . 460 60 60 ILE CG2 C 18.355 0.042 . 461 60 60 ILE CD1 C 14.016 0.052 . 462 61 61 MET H H 9.042 0.005 . 463 61 61 MET HA H 4.736 0.004 . 464 61 61 MET HB2 H 2.013 0.006 . 465 61 61 MET HB3 H 1.867 0.003 . 466 61 61 MET HG2 H 2.431 0.006 . 467 61 61 MET HG3 H 2.057 0.004 . 468 61 61 MET HE H 1.976 0.004 . 469 61 61 MET CB C 36.630 0.043 . 470 61 61 MET CG C 32.313 0.046 . 471 61 61 MET CE C 17.057 0.045 . 472 62 62 GLY H H 7.833 0.011 . 473 62 62 GLY HA2 H 3.969 0.004 . 474 62 62 GLY HA3 H 4.222 0.003 . 475 62 62 GLY CA C 44.292 0.045 . 476 63 63 PRO HA H 4.857 0.001 . 477 63 63 PRO HB2 H 2.643 0.005 . 478 63 63 PRO HB3 H 1.987 0.005 . 479 63 63 PRO HG2 H 2.191 0.007 . 480 63 63 PRO HG3 H 2.191 0.007 . 481 63 63 PRO HD2 H 3.837 0.003 . 482 63 63 PRO HD3 H 3.372 0.007 . 483 63 63 PRO CB C 31.165 0.043 . 484 63 63 PRO CG C 28.100 0.070 . 485 63 63 PRO CD C 49.258 0.031 . 486 64 64 PRO HA H 4.139 0.010 . 487 64 64 PRO HB2 H 2.434 0.007 . 488 64 64 PRO HB3 H 2.084 0.009 . 489 64 64 PRO HG2 H 2.227 0.010 . 490 64 64 PRO HG3 H 2.148 0.003 . 491 64 64 PRO HD2 H 3.949 0.014 . 492 64 64 PRO HD3 H 3.876 0.010 . 493 64 64 PRO CA C 66.965 0.032 . 494 64 64 PRO CB C 32.242 0.035 . 495 64 64 PRO CG C 27.678 0.045 . 496 64 64 PRO CD C 50.449 0.042 . 497 65 65 ASP H H 8.937 0.004 . 498 65 65 ASP HA H 4.331 0.004 . 499 65 65 ASP HB2 H 2.788 0.002 . 500 65 65 ASP HB3 H 2.607 0.002 . 501 65 65 ASP CA C 56.522 0.052 . 502 65 65 ASP CB C 39.032 0.025 . 503 66 66 ARG H H 7.266 0.003 . 504 66 66 ARG HA H 4.345 0.005 . 505 66 66 ARG HB2 H 2.453 0.004 . 506 66 66 ARG HB3 H 1.657 0.004 . 507 66 66 ARG HG2 H 1.867 0.004 . 508 66 66 ARG HG3 H 1.743 0.005 . 509 66 66 ARG HD2 H 3.687 0.006 . 510 66 66 ARG HD3 H 3.215 0.007 . 511 66 66 ARG CA C 58.376 0.046 . 512 66 66 ARG CB C 29.344 0.051 . 513 66 66 ARG CG C 27.493 0.063 . 514 66 66 ARG CD C 43.213 0.048 . 515 67 67 CYS H H 8.057 0.007 . 516 67 67 CYS HA H 3.803 0.006 . 517 67 67 CYS HB2 H 3.082 0.004 . 518 67 67 CYS HB3 H 2.240 0.005 . 519 67 67 CYS CA C 63.609 0.035 . 520 67 67 CYS CB C 26.271 0.029 . 521 68 68 GLU H H 7.787 0.005 . 522 68 68 GLU HA H 3.845 0.004 . 523 68 68 GLU HB2 H 2.056 0.005 . 524 68 68 GLU HB3 H 2.056 0.005 . 525 68 68 GLU HG2 H 2.402 0.005 . 526 68 68 GLU HG3 H 2.210 0.005 . 527 68 68 GLU CA C 59.466 0.064 . 528 68 68 GLU CB C 29.161 0.042 . 529 68 68 GLU CG C 36.236 0.050 . 530 69 69 HIS H H 7.504 0.006 . 531 69 69 HIS HA H 4.470 0.003 . 532 69 69 HIS HB2 H 3.540 0.002 . 533 69 69 HIS HB3 H 3.224 0.003 . 534 69 69 HIS HD2 H 6.912 0.005 . 535 69 69 HIS CA C 57.958 0.043 . 536 69 69 HIS CB C 31.608 0.013 . 537 70 70 ALA H H 8.144 0.005 . 538 70 70 ALA HA H 3.629 0.005 . 539 70 70 ALA HB H 1.230 0.008 . 540 70 70 ALA CA C 55.154 0.014 . 541 70 70 ALA CB C 19.363 0.021 . 542 71 71 ALA H H 8.272 0.005 . 543 71 71 ALA HA H 3.733 0.003 . 544 71 71 ALA HB H 1.356 0.005 . 545 71 71 ALA CA C 55.557 0.014 . 546 71 71 ALA CB C 17.768 0.034 . 547 72 72 ARG H H 7.857 0.002 . 548 72 72 ARG HA H 4.056 0.002 . 549 72 72 ARG HB2 H 2.103 0.003 . 550 72 72 ARG HB3 H 2.103 0.003 . 551 72 72 ARG HG2 H 1.861 0.002 . 552 72 72 ARG HG3 H 1.655 0.003 . 553 72 72 ARG HD2 H 3.278 0.003 . 554 72 72 ARG HD3 H 3.238 0.004 . 555 72 72 ARG CA C 59.837 0.052 . 556 72 72 ARG CB C 29.776 0.050 . 557 72 72 ARG CG C 27.693 0.026 . 558 72 72 ARG CD C 43.621 0.019 . 559 73 73 ILE H H 8.115 0.004 . 560 73 73 ILE HA H 3.716 0.004 . 561 73 73 ILE HB H 1.860 0.003 . 562 73 73 ILE HG12 H 1.705 0.006 . 563 73 73 ILE HG13 H 0.988 0.002 . 564 73 73 ILE HG2 H 0.876 0.005 . 565 73 73 ILE HD1 H 0.528 0.003 . 566 73 73 ILE CA C 65.612 0.016 . 567 73 73 ILE CB C 37.915 0.037 . 568 73 73 ILE CG1 C 27.996 0.050 . 569 73 73 ILE CG2 C 17.583 0.050 . 570 73 73 ILE CD1 C 13.544 0.048 . 571 74 74 ILE H H 8.202 0.004 . 572 74 74 ILE HA H 3.403 0.003 . 573 74 74 ILE HB H 1.766 0.004 . 574 74 74 ILE HG12 H 1.874 0.003 . 575 74 74 ILE HG13 H 0.698 0.007 . 576 74 74 ILE HG2 H 0.744 0.006 . 577 74 74 ILE HD1 H 0.553 0.003 . 578 74 74 ILE CA C 66.480 0.027 . 579 74 74 ILE CB C 38.254 0.028 . 580 74 74 ILE CG1 C 30.525 0.032 . 581 74 74 ILE CG2 C 16.410 0.039 . 582 74 74 ILE CD1 C 12.930 0.039 . 583 75 75 ASN H H 8.506 0.006 . 584 75 75 ASN HA H 4.397 0.006 . 585 75 75 ASN HB2 H 2.842 0.006 . 586 75 75 ASN HB3 H 2.803 0.005 . 587 75 75 ASN HD21 H 7.519 0.002 . 588 75 75 ASN HD22 H 6.804 0.012 . 589 75 75 ASN CA C 57.522 0.033 . 590 75 75 ASN CB C 38.616 0.030 . 591 76 76 ASP H H 8.744 0.005 . 592 76 76 ASP HA H 4.390 0.002 . 593 76 76 ASP HB2 H 2.849 0.004 . 594 76 76 ASP HB3 H 2.620 0.003 . 595 76 76 ASP CA C 57.527 0.036 . 596 76 76 ASP CB C 40.039 0.028 . 597 77 77 LEU H H 8.038 0.002 . 598 77 77 LEU HA H 4.120 0.002 . 599 77 77 LEU HB2 H 1.884 0.002 . 600 77 77 LEU HB3 H 1.771 0.002 . 601 77 77 LEU HG H 1.532 0.006 . 602 77 77 LEU HD1 H 0.848 0.002 . 603 77 77 LEU HD2 H 0.861 0.001 . 604 77 77 LEU CA C 58.029 0.023 . 605 77 77 LEU CB C 41.988 0.027 . 606 77 77 LEU CG C 27.037 0.039 . 607 77 77 LEU CD1 C 25.562 0.027 . 608 77 77 LEU CD2 C 24.024 0.019 . 609 78 78 LEU H H 8.350 0.009 . 610 78 78 LEU HA H 4.006 0.005 . 611 78 78 LEU HB2 H 2.039 0.003 . 612 78 78 LEU HB3 H 1.498 0.003 . 613 78 78 LEU HG H 1.991 0.005 . 614 78 78 LEU HD1 H 0.956 0.004 . 615 78 78 LEU HD2 H 0.783 0.006 . 616 78 78 LEU CA C 57.575 0.006 . 617 78 78 LEU CB C 40.904 0.013 . 618 78 78 LEU CG C 26.591 0.054 . 619 78 78 LEU CD1 C 26.139 0.058 . 620 78 78 LEU CD2 C 22.609 0.019 . 621 79 79 GLN H H 8.298 0.003 . 622 79 79 GLN HA H 4.113 0.001 . 623 79 79 GLN HB2 H 2.210 0.004 . 624 79 79 GLN HB3 H 2.210 0.004 . 625 79 79 GLN HG2 H 2.511 0.002 . 626 79 79 GLN HG3 H 2.511 0.002 . 627 79 79 GLN HE21 H 7.439 0.007 . 628 79 79 GLN HE22 H 6.809 0.005 . 629 79 79 GLN CA C 58.238 0.017 . 630 79 79 GLN CB C 28.245 0.048 . 631 79 79 GLN CG C 33.778 0.013 . 632 80 80 SER H H 7.931 0.004 . 633 80 80 SER HA H 4.354 0.005 . 634 80 80 SER HB2 H 4.033 0.001 . 635 80 80 SER HB3 H 4.033 0.001 . 636 80 80 SER CA C 60.445 0.049 . 637 80 80 SER CB C 63.375 0.019 . 638 81 81 LEU H H 7.433 0.003 . 639 81 81 LEU HA H 4.336 0.002 . 640 81 81 LEU HB2 H 1.793 0.003 . 641 81 81 LEU HB3 H 1.667 0.003 . 642 81 81 LEU HG H 1.893 0.007 . 643 81 81 LEU HD1 H 0.912 0.005 . 644 81 81 LEU HD2 H 0.826 0.003 . 645 81 81 LEU CA C 55.641 0.050 . 646 81 81 LEU CB C 42.035 0.018 . 647 81 81 LEU CG C 26.517 0.038 . 648 81 81 LEU CD1 C 25.492 0.050 . 649 81 81 LEU CD2 C 22.903 0.041 . 650 82 82 ARG H H 7.862 0.015 . 651 82 82 ARG HA H 4.364 0.003 . 652 82 82 ARG HB2 H 1.948 0.003 . 653 82 82 ARG HB3 H 1.948 0.003 . 654 82 82 ARG HG2 H 1.684 0.004 . 655 82 82 ARG HG3 H 1.684 0.004 . 656 82 82 ARG HD2 H 3.231 0.005 . 657 82 82 ARG HD3 H 3.231 0.005 . 658 82 82 ARG CA C 56.615 0.048 . 659 82 82 ARG CB C 30.675 0.014 . 660 82 82 ARG CG C 27.198 0.018 . 661 82 82 ARG CD C 43.490 0.054 . 662 83 83 SER HA H 4.516 0.002 . 663 83 83 SER HB2 H 3.909 0.003 . 664 83 83 SER HB3 H 3.909 0.003 . 665 83 83 SER CA C 58.438 0.005 . 666 83 83 SER CB C 64.095 0.005 . stop_ save_