data_15575 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution Structure of the Tandem WW Domains of FBP21 ; _BMRB_accession_number 15575 _BMRB_flat_file_name bmr15575.str _Entry_type original _Submission_date 2007-11-30 _Accession_date 2007-11-30 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details ; Formin binding protein 21 WW domain binding protein 4 ; loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Huang Xiaojuan . . 2 Zhang Jiahai . . 3 Wu Jihui . . 4 Shi Yunyu . . 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" 259 "15N chemical shifts" 77 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-05-26 update BMRB 'update entity name' 2009-09-09 update BMRB 'complete entry citation' 2007-11-30 original author 'original release' stop_ _Original_release_date 2007-11-30 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Structure and Function of the Two Tandem WW Domains of the Pre-mRNA Splicing Factor FBP21 (Formin-binding Protein 21) ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 19592703 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Huang Xiaojuan . . 2 Beullens Monique . . 3 Zhang Jiahai . . 4 Zhou Yi . . 5 Nicolaescu Emilia . . 6 Lesage Bart . . 7 Hu Qi . . 8 Wu Jihui . . 9 Bollen Mathieu . . 10 Shi Yunyu . . stop_ _Journal_abbreviation 'J. Biol. Chem.' _Journal_volume 284 _Journal_issue 37 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 25375 _Page_last 25387 _Year 2009 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'FBP21 entity' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label FBP21 $entity stop_ _System_molecular_weight 8691 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common FBP21 _Molecular_mass 8691.426 _Mol_thiol_state 'not present' loop_ _Biological_function 'Associated with U2 snRNPs.' 'Binds splicing factors SNRPB, SNRPC and SF1.' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 83 _Mol_residue_sequence ; DPSKGRWVEGITSEGYHYYY DLISGASQWEKPEGFQGDLK KTAVKTVWVEGLSEDGFTYY YNTETGESRWEKPDDLEHHH HHH ; loop_ _Residue_seq_code _Residue_label 1 ASP 2 PRO 3 SER 4 LYS 5 GLY 6 ARG 7 TRP 8 VAL 9 GLU 10 GLY 11 ILE 12 THR 13 SER 14 GLU 15 GLY 16 TYR 17 HIS 18 TYR 19 TYR 20 TYR 21 ASP 22 LEU 23 ILE 24 SER 25 GLY 26 ALA 27 SER 28 GLN 29 TRP 30 GLU 31 LYS 32 PRO 33 GLU 34 GLY 35 PHE 36 GLN 37 GLY 38 ASP 39 LEU 40 LYS 41 LYS 42 THR 43 ALA 44 VAL 45 LYS 46 THR 47 VAL 48 TRP 49 VAL 50 GLU 51 GLY 52 LEU 53 SER 54 GLU 55 ASP 56 GLY 57 PHE 58 THR 59 TYR 60 TYR 61 TYR 62 ASN 63 THR 64 GLU 65 THR 66 GLY 67 GLU 68 SER 69 ARG 70 TRP 71 GLU 72 LYS 73 PRO 74 ASP 75 ASP 76 LEU 77 GLU 78 HIS 79 HIS 80 HIS 81 HIS 82 HIS 83 HIS 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 Human 9606 Eukaryota Metazoa Homo sapiens 'WBP4, FBP21' 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 $entity 'recombinant technology' . Escherichia coli BL21(DE3) pET22b stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity 1.0 mM '[U-99% 13C; U-99% 15N]' D2O 10 % '[U-100% 2H]' H2O 90 % . stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity 0.5 mM '[U-99% 15N]' D2O 10 % '[U-100% 2H]' H2O 90 % . stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' 'peak picking' stop_ _Details . save_ save_CNSSOLVE _Saveframe_category software _Name CNSSOLVE _Version 1.1 loop_ _Vendor _Address _Electronic_address 'Brunger, Adams, Clore, Gros, Nilges and Read' . . stop_ loop_ _Task refinement 'structure solution' stop_ _Details . save_ save_xwinnmr _Saveframe_category software _Name xwinnmr _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection 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_ save_Molmol _Saveframe_category software _Name Molmol _Version . loop_ _Vendor _Address _Electronic_address 'Koradi, Billeter and Wuthrich' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_ProcheckNMR _Saveframe_category software _Name ProcheckNMR _Version . loop_ _Vendor _Address _Electronic_address 'Laskowski and MacArthur' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_TALOS _Saveframe_category software _Name TALOS _Version . loop_ _Vendor _Address _Electronic_address 'Cornilescu, Delaglio and Bax' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_NMRDraw _Saveframe_category software _Name NMRDraw _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 DMX _Field_strength 500 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DMX _Field_strength 600 _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_2 save_ save_3D_CBCA(CO)NH_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_C(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ save_2D_1H-1H_TOCSY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _Sample_label $sample_1 save_ save_2D_1H-1H_NOESY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_HCCH-COSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-COSY' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_H(CCO)NH_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_1 save_ save_3D_HNCO_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_HNCACB_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _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 6.5 . pH pressure 1 . atm temperature 293 . K stop_ save_ save_sample_conditions_2 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.5 . pH pressure 1 . atm temperature 298 . 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 water C 13 portons ppm 4.754 internal indirect . . . 0.25144 water H 1 protons ppm 4.754 internal direct . . . 1 water N 15 protons ppm 4.754 internal indirect . . . 0.10133 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D CBCA(CO)NH' '3D C(CO)NH' '2D 1H-1H NOESY' stop_ loop_ _Sample_label $sample_2 $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name FBP21 _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 PRO HA H 4.343 0.009 . 2 2 2 PRO HB2 H 2.146 0.011 . 3 2 2 PRO HB3 H 1.880 0.012 . 4 2 2 PRO HD2 H 3.802 0.008 . 5 2 2 PRO HD3 H 3.737 0.009 . 6 2 2 PRO HG2 H 2.128 0.005 . 7 2 2 PRO HG3 H 1.874 0.008 . 8 2 2 PRO C C 177.468 0.007 . 9 2 2 PRO CA C 63.465 0.168 . 10 2 2 PRO CB C 32.098 0.088 . 11 2 2 PRO CD C 50.962 0.000 . 12 2 2 PRO CG C 26.959 0.000 . 13 3 3 SER H H 8.438 0.009 . 14 3 3 SER HA H 4.264 0.007 . 15 3 3 SER HB2 H 3.834 0.004 . 16 3 3 SER HB3 H 3.789 0.006 . 17 3 3 SER C C 175.012 0.000 . 18 3 3 SER CA C 59.603 0.083 . 19 3 3 SER CB C 63.657 0.089 . 20 3 3 SER N N 115.628 0.063 . 21 4 4 LYS H H 7.948 0.008 . 22 4 4 LYS HA H 4.317 0.009 . 23 4 4 LYS HB2 H 1.869 0.014 . 24 4 4 LYS HB3 H 1.715 0.011 . 25 4 4 LYS HE2 H 2.881 0.011 . 26 4 4 LYS HE3 H 2.881 0.011 . 27 4 4 LYS HG2 H 1.567 0.009 . 28 4 4 LYS HG3 H 1.306 0.012 . 29 4 4 LYS C C 176.860 0.011 . 30 4 4 LYS CA C 56.133 0.073 . 31 4 4 LYS CB C 32.937 0.032 . 32 4 4 LYS CD C 28.939 0.000 . 33 4 4 LYS CE C 42.264 0.000 . 34 4 4 LYS CG C 24.800 0.000 . 35 4 4 LYS N N 122.190 0.042 . 36 5 5 GLY H H 8.017 0.011 . 37 5 5 GLY HA2 H 3.808 0.008 . 38 5 5 GLY HA3 H 3.629 0.010 . 39 5 5 GLY C C 173.161 0.013 . 40 5 5 GLY CA C 45.059 0.130 . 41 5 5 GLY N N 108.523 0.054 . 42 6 6 ARG H H 8.157 0.009 . 43 6 6 ARG HA H 4.328 0.010 . 44 6 6 ARG HB2 H 1.540 0.009 . 45 6 6 ARG HB3 H 1.540 0.009 . 46 6 6 ARG HD2 H 2.930 0.008 . 47 6 6 ARG HD3 H 2.930 0.008 . 48 6 6 ARG HE H 7.151 0.000 . 49 6 6 ARG HG2 H 1.245 0.010 . 50 6 6 ARG HG3 H 1.245 0.010 . 51 6 6 ARG C C 173.926 0.005 . 52 6 6 ARG CA C 55.744 0.012 . 53 6 6 ARG CB C 31.118 0.118 . 54 6 6 ARG CD C 43.782 0.000 . 55 6 6 ARG N N 122.734 0.062 . 56 7 7 TRP H H 7.956 0.009 . 57 7 7 TRP HA H 5.181 0.005 . 58 7 7 TRP HB2 H 3.075 0.016 . 59 7 7 TRP HB3 H 2.866 0.005 . 60 7 7 TRP HD1 H 7.114 0.014 . 61 7 7 TRP HE1 H 10.023 0.004 . 62 7 7 TRP HE3 H 7.170 0.006 . 63 7 7 TRP HH2 H 6.852 0 . 64 7 7 TRP HZ2 H 7.237 0.007 . 65 7 7 TRP HZ3 H 6.716 0.004 . 66 7 7 TRP C C 176.937 0.022 . 67 7 7 TRP CA C 56.525 0.018 . 68 7 7 TRP CB C 31.713 0.022 . 69 7 7 TRP N N 120.834 0.053 . 70 7 7 TRP NE1 N 128.776 0.008 . 71 8 8 VAL H H 9.421 0.010 . 72 8 8 VAL HA H 4.544 0.011 . 73 8 8 VAL HB H 1.695 0.018 . 74 8 8 VAL C C 174.045 0.000 . 75 8 8 VAL CA C 60.224 0.143 . 76 8 8 VAL CB C 35.235 0.042 . 77 8 8 VAL CG1 C 21.694 0.000 . 78 8 8 VAL CG2 C 21.694 0.000 . 79 8 8 VAL N N 120.231 0.044 . 80 9 9 GLU H H 8.573 0.007 . 81 9 9 GLU HA H 4.513 0.010 . 82 9 9 GLU HB2 H 1.924 0.009 . 83 9 9 GLU HB3 H 1.846 0.014 . 84 9 9 GLU HG2 H 2.523 0.004 . 85 9 9 GLU HG3 H 2.523 0.004 . 86 9 9 GLU C C 175.789 0.007 . 87 9 9 GLU CA C 54.704 0.178 . 88 9 9 GLU CB C 32.132 0.120 . 89 9 9 GLU CG C 36.447 0.000 . 90 9 9 GLU N N 124.063 0.087 . 91 10 10 GLY H H 8.244 0.008 . 92 10 10 GLY HA2 H 4.244 0.011 . 93 10 10 GLY HA3 H 2.677 0.008 . 94 10 10 GLY C C 178.711 0.000 . 95 10 10 GLY CA C 43.265 0.180 . 96 10 10 GLY N N 114.123 0.053 . 97 11 11 ILE H H 7.967 0.010 . 98 11 11 ILE HA H 4.874 0.013 . 99 11 11 ILE HB H 1.362 0.010 . 100 11 11 ILE C C 177.132 0.013 . 101 11 11 ILE CA C 59.522 0.055 . 102 11 11 ILE CB C 41.005 0.043 . 103 11 11 ILE CG2 C 16.847 0.000 . 104 11 11 ILE N N 117.451 0.098 . 105 12 12 THR H H 9.333 0.012 . 106 12 12 THR HA H 4.810 0.007 . 107 12 12 THR HB H 4.698 0.003 . 108 12 12 THR CA C 60.868 0.000 . 109 12 12 THR CB C 71.670 0.000 . 110 12 12 THR N N 118.780 0.061 . 111 13 13 SER HA H 4.045 0.013 . 112 13 13 SER HB2 H 3.831 0.014 . 113 13 13 SER HB3 H 3.831 0.014 . 114 13 13 SER C C 175.483 0.000 . 115 13 13 SER CB C 62.489 0.000 . 116 14 14 GLU H H 7.685 0.013 . 117 14 14 GLU HA H 4.149 0.002 . 118 14 14 GLU HB2 H 1.815 0.011 . 119 14 14 GLU HB3 H 1.377 0.009 . 120 14 14 GLU HG2 H 2.006 0.008 . 121 14 14 GLU HG3 H 2.006 0.008 . 122 14 14 GLU C C 176.176 0.019 . 123 14 14 GLU CA C 56.719 0.090 . 124 14 14 GLU CB C 29.212 0.047 . 125 14 14 GLU CG C 36.449 0.000 . 126 14 14 GLU N N 116.879 0.056 . 127 15 15 GLY H H 7.880 0.009 . 128 15 15 GLY HA2 H 4.025 0.011 . 129 15 15 GLY HA3 H 3.333 0.009 . 130 15 15 GLY C C 174.178 0.005 . 131 15 15 GLY CA C 44.873 0.190 . 132 15 15 GLY N N 106.481 0.055 . 133 16 16 TYR H H 7.337 0.007 . 134 16 16 TYR HA H 4.782 0.009 . 135 16 16 TYR HB2 H 3.129 0.015 . 136 16 16 TYR HB3 H 2.971 0.013 . 137 16 16 TYR HD1 H 6.886 0.004 . 138 16 16 TYR HD2 H 6.886 0.004 . 139 16 16 TYR HE1 H 6.579 0.006 . 140 16 16 TYR HE2 H 6.579 0.006 . 141 16 16 TYR C C 175.995 0.025 . 142 16 16 TYR CA C 56.414 0.035 . 143 16 16 TYR CB C 38.407 0.147 . 144 16 16 TYR N N 119.711 0.051 . 145 17 17 HIS H H 9.209 0.008 . 146 17 17 HIS HA H 5.280 0.010 . 147 17 17 HIS HB2 H 3.156 0.005 . 148 17 17 HIS HB3 H 2.909 0.015 . 149 17 17 HIS HD2 H 7.245 0.004 . 150 17 17 HIS HE1 H 8.204 0.003 . 151 17 17 HIS C C 173.919 0.027 . 152 17 17 HIS CA C 55.909 0.012 . 153 17 17 HIS CB C 29.968 0.088 . 154 17 17 HIS N N 123.461 0.088 . 155 18 18 TYR H H 8.275 0.008 . 156 18 18 TYR HA H 4.791 0.004 . 157 18 18 TYR HB2 H 2.582 0.006 . 158 18 18 TYR HB3 H 2.374 0.004 . 159 18 18 TYR HD1 H 6.684 0.010 . 160 18 18 TYR HD2 H 6.684 0.010 . 161 18 18 TYR HE1 H 6.338 0.007 . 162 18 18 TYR HE2 H 6.338 0.007 . 163 18 18 TYR C C 171.293 0.000 . 164 18 18 TYR CA C 55.630 0.005 . 165 18 18 TYR CB C 40.498 0.009 . 166 18 18 TYR N N 119.382 0.042 . 167 19 19 TYR H H 8.717 0.011 . 168 19 19 TYR HA H 5.108 0.012 . 169 19 19 TYR HB2 H 2.570 0.005 . 170 19 19 TYR HB3 H 2.365 0.011 . 171 19 19 TYR HD1 H 6.371 0.008 . 172 19 19 TYR HD2 H 6.371 0.008 . 173 19 19 TYR HE1 H 6.270 0.005 . 174 19 19 TYR HE2 H 6.270 0.005 . 175 19 19 TYR C C 174.324 0.000 . 176 19 19 TYR CA C 56.672 0.000 . 177 19 19 TYR CB C 41.349 0.026 . 178 19 19 TYR N N 117.669 0.038 . 179 20 20 TYR H H 9.333 0.008 . 180 20 20 TYR HA H 5.461 0.013 . 181 20 20 TYR HB2 H 2.736 0.014 . 182 20 20 TYR HB3 H 2.736 0.014 . 183 20 20 TYR HD1 H 6.644 0.009 . 184 20 20 TYR HD2 H 6.644 0.009 . 185 20 20 TYR HE1 H 6.452 0.003 . 186 20 20 TYR HE2 H 6.452 0.003 . 187 20 20 TYR C C 172.648 0.000 . 188 20 20 TYR CA C 56.265 0.257 . 189 20 20 TYR CB C 41.675 0.044 . 190 20 20 TYR N N 123.121 0.090 . 191 21 21 ASP H H 8.060 0.008 . 192 21 21 ASP HA H 3.963 0.010 . 193 21 21 ASP HB2 H 1.955 0.006 . 194 21 21 ASP HB3 H 1.955 0.006 . 195 21 21 ASP C C 176.726 0.000 . 196 21 21 ASP CB C 40.660 0.066 . 197 21 21 ASP N N 124.947 0.070 . 198 22 22 LEU H H 8.701 0.009 . 199 22 22 LEU HA H 3.803 0.012 . 200 22 22 LEU HB2 H 1.525 0.002 . 201 22 22 LEU HB3 H 1.344 0.006 . 202 22 22 LEU HD1 H 0.785 0.009 . 203 22 22 LEU HD2 H 0.679 0.007 . 204 22 22 LEU HG H 1.662 0.005 . 205 22 22 LEU C C 171.131 0.000 . 206 22 22 LEU CA C 56.936 0.030 . 207 22 22 LEU CB C 42.973 0.111 . 208 22 22 LEU CD1 C 23.169 0.000 . 209 22 22 LEU CD2 C 23.169 0.000 . 210 22 22 LEU CG C 25.262 0.000 . 211 22 22 LEU N N 125.621 0.038 . 212 23 23 ILE H H 7.954 0.011 . 213 23 23 ILE HA H 3.770 0.008 . 214 23 23 ILE HB H 1.938 0.007 . 215 23 23 ILE HD1 H 0.558 0.010 . 216 23 23 ILE HG12 H 1.007 0.005 . 217 23 23 ILE HG13 H 1.007 0.005 . 218 23 23 ILE HG2 H 0.656 0.004 . 219 23 23 ILE C C 177.384 0.011 . 220 23 23 ILE CA C 62.782 0.003 . 221 23 23 ILE CB C 36.355 0.079 . 222 23 23 ILE N N 117.225 0.091 . 223 24 24 SER H H 7.304 0.016 . 224 24 24 SER HA H 4.211 0.002 . 225 24 24 SER HB2 H 3.829 0.018 . 226 24 24 SER HB3 H 3.620 0.013 . 227 24 24 SER C C 176.179 0.000 . 228 24 24 SER CA C 59.194 0.138 . 229 24 24 SER CB C 65.204 0.068 . 230 24 24 SER N N 112.672 0.072 . 231 25 25 GLY H H 8.115 0.009 . 232 25 25 GLY HA2 H 3.994 0.009 . 233 25 25 GLY HA3 H 3.572 0.010 . 234 25 25 GLY C C 173.419 0.022 . 235 25 25 GLY CA C 45.454 0.191 . 236 25 25 GLY N N 112.660 0.058 . 237 26 26 ALA H H 7.493 0.009 . 238 26 26 ALA HA H 4.208 0.011 . 239 26 26 ALA HB H 1.288 0.013 . 240 26 26 ALA C C 175.562 0.003 . 241 26 26 ALA CA C 52.174 0.114 . 242 26 26 ALA CB C 20.084 0.094 . 243 26 26 ALA N N 123.147 0.032 . 244 27 27 SER H H 8.092 0.015 . 245 27 27 SER HA H 5.696 0.007 . 246 27 27 SER HB2 H 3.580 0.004 . 247 27 27 SER HB3 H 3.580 0.004 . 248 27 27 SER N N 111.999 0.091 . 249 28 28 GLN H H 9.273 0.007 . 250 28 28 GLN HA H 4.777 0.004 . 251 28 28 GLN HB2 H 2.320 0.013 . 252 28 28 GLN HB3 H 2.066 0.006 . 253 28 28 GLN HE22 H 6.463 0.002 . 254 28 28 GLN C C 174.516 0.000 . 255 28 28 GLN CA C 54.538 0.060 . 256 28 28 GLN CB C 32.431 0.000 . 257 28 28 GLN CG C 31.805 0.000 . 258 28 28 GLN N N 117.111 0.056 . 259 28 28 GLN NE2 N 112.213 0.063 . 260 29 29 TRP H H 8.460 0.007 . 261 29 29 TRP HA H 4.930 0.007 . 262 29 29 TRP HB2 H 3.484 0.015 . 263 29 29 TRP HB3 H 3.042 0.009 . 264 29 29 TRP HD1 H 7.232 0.003 . 265 29 29 TRP HE3 H 7.968 0.004 . 266 29 29 TRP HH2 H 6.863 0 . 267 29 29 TRP HZ2 H 6.938 0.000 . 268 29 29 TRP HZ3 H 6.773 0.002 . 269 29 29 TRP C C 176.784 0.000 . 270 29 29 TRP CA C 58.035 0.110 . 271 29 29 TRP CB C 30.609 0.026 . 272 29 29 TRP N N 120.208 0.107 . 273 30 30 GLU H H 7.938 0.010 . 274 30 30 GLU HA H 4.200 0.004 . 275 30 30 GLU HB2 H 1.739 0.003 . 276 30 30 GLU HB3 H 1.739 0.003 . 277 30 30 GLU HG2 H 2.102 0.016 . 278 30 30 GLU HG3 H 2.102 0.016 . 279 30 30 GLU C C 175.499 0.027 . 280 30 30 GLU CA C 55.896 0.107 . 281 30 30 GLU CB C 30.371 0.043 . 282 30 30 GLU CG C 36.256 0.000 . 283 30 30 GLU N N 117.673 0.099 . 284 31 31 LYS H H 8.278 0.010 . 285 31 31 LYS HA H 4.233 0.003 . 286 31 31 LYS HB2 H 1.738 0.002 . 287 31 31 LYS HB3 H 1.738 0.002 . 288 31 31 LYS HD2 H 1.511 0.007 . 289 31 31 LYS HD3 H 1.511 0.007 . 290 31 31 LYS HE2 H 2.816 0.010 . 291 31 31 LYS HE3 H 2.816 0.010 . 292 31 31 LYS HG2 H 1.244 0.007 . 293 31 31 LYS HG3 H 1.244 0.007 . 294 31 31 LYS C C 174.702 0.000 . 295 31 31 LYS N N 125.450 0.039 . 296 32 32 PRO HA H 3.789 0.012 . 297 32 32 PRO HB2 H 0.952 0.010 . 298 32 32 PRO HB3 H 0.952 0.010 . 299 32 32 PRO HD2 H 2.579 0.002 . 300 32 32 PRO HD3 H 2.579 0.002 . 301 32 32 PRO HG2 H 0.379 0.011 . 302 32 32 PRO HG3 H 0.060 0.015 . 303 32 32 PRO C C 176.597 0.003 . 304 32 32 PRO CA C 61.692 0.026 . 305 32 32 PRO CB C 31.207 0.094 . 306 32 32 PRO CD C 50.777 0.000 . 307 32 32 PRO CG C 25.665 0.000 . 308 33 33 GLU H H 8.392 0.009 . 309 33 33 GLU HA H 3.849 0.015 . 310 33 33 GLU HB2 H 1.795 0.015 . 311 33 33 GLU HB3 H 1.795 0.015 . 312 33 33 GLU HG2 H 2.132 0.004 . 313 33 33 GLU HG3 H 1.968 0.003 . 314 33 33 GLU C C 177.743 0.016 . 315 33 33 GLU CA C 57.720 0.065 . 316 33 33 GLU CB C 29.366 0.052 . 317 33 33 GLU CG C 35.965 0.000 . 318 33 33 GLU N N 123.256 0.053 . 319 34 34 GLY H H 8.645 0.010 . 320 34 34 GLY HA2 H 3.929 0.011 . 321 34 34 GLY HA3 H 3.698 0.010 . 322 34 34 GLY C C 174.323 0.000 . 323 34 34 GLY CA C 45.251 0.135 . 324 34 34 GLY N N 111.388 0.044 . 325 35 35 PHE H H 7.495 0.009 . 326 35 35 PHE HA H 4.224 0.019 . 327 35 35 PHE HB2 H 2.680 0.009 . 328 35 35 PHE HB3 H 2.611 0.011 . 329 35 35 PHE HD1 H 6.999 0.004 . 330 35 35 PHE HD2 H 6.999 0.004 . 331 35 35 PHE HE1 H 7.355 0.007 . 332 35 35 PHE HE2 H 7.355 0.007 . 333 35 35 PHE HZ H 7.402 0.003 . 334 35 35 PHE C C 175.434 0.043 . 335 35 35 PHE CA C 58.918 0.045 . 336 35 35 PHE CB C 39.949 0.006 . 337 35 35 PHE N N 120.628 0.033 . 338 36 36 GLN H H 8.258 0.008 . 339 36 36 GLN HA H 4.103 0.011 . 340 36 36 GLN HB2 H 1.927 0.013 . 341 36 36 GLN HB3 H 1.705 0.014 . 342 36 36 GLN HE21 H 7.378 0.001 . 343 36 36 GLN HE22 H 6.779 0.000 . 344 36 36 GLN HG2 H 2.106 0.022 . 345 36 36 GLN HG3 H 2.106 0.022 . 346 36 36 GLN C C 175.463 0.000 . 347 36 36 GLN CA C 55.327 0.016 . 348 36 36 GLN CB C 29.674 0.116 . 349 36 36 GLN CG C 33.445 0.027 . 350 36 36 GLN N N 125.765 0.092 . 351 36 36 GLN NE2 N 112.069 0.059 . 352 37 37 GLY H H 7.281 0.009 . 353 37 37 GLY HA2 H 3.744 0.007 . 354 37 37 GLY HA3 H 3.744 0.007 . 355 37 37 GLY C C 173.450 0.034 . 356 37 37 GLY CA C 45.444 0.148 . 357 37 37 GLY N N 108.676 0.043 . 358 38 38 ASP H H 8.281 0.011 . 359 38 38 ASP HA H 4.516 0.015 . 360 38 38 ASP HB2 H 2.603 0.009 . 361 38 38 ASP HB3 H 2.527 0.008 . 362 38 38 ASP C C 176.388 0.016 . 363 38 38 ASP CA C 54.110 0.037 . 364 38 38 ASP CB C 41.399 0.154 . 365 38 38 ASP N N 120.087 0.044 . 366 39 39 LEU H H 8.172 0.009 . 367 39 39 LEU HA H 4.217 0.012 . 368 39 39 LEU HB2 H 1.513 0.009 . 369 39 39 LEU HB3 H 1.513 0.009 . 370 39 39 LEU HD1 H 0.726 0.015 . 371 39 39 LEU HD2 H 0.726 0.015 . 372 39 39 LEU HG H 1.251 0.001 . 373 39 39 LEU C C 177.567 0.032 . 374 39 39 LEU CA C 55.394 0.012 . 375 39 39 LEU CB C 42.160 0.087 . 376 39 39 LEU CD1 C 24.474 0.000 . 377 39 39 LEU CD2 C 24.474 0.000 . 378 39 39 LEU CG C 26.901 0.000 . 379 39 39 LEU N N 122.975 0.071 . 380 40 40 LYS H H 8.320 0.009 . 381 40 40 LYS HA H 4.210 0.004 . 382 40 40 LYS HB2 H 1.703 0.004 . 383 40 40 LYS HB3 H 1.703 0.004 . 384 40 40 LYS HD2 H 1.542 0.007 . 385 40 40 LYS HD3 H 1.542 0.007 . 386 40 40 LYS HE2 H 2.870 0.007 . 387 40 40 LYS HE3 H 2.870 0.007 . 388 40 40 LYS HG2 H 1.318 0.010 . 389 40 40 LYS HG3 H 1.318 0.010 . 390 40 40 LYS C C 176.647 0.009 . 391 40 40 LYS CA C 56.222 0.079 . 392 40 40 LYS CB C 32.798 0.025 . 393 40 40 LYS CD C 28.854 0.000 . 394 40 40 LYS CE C 42.206 0.000 . 395 40 40 LYS CG C 24.824 0.000 . 396 40 40 LYS N N 121.775 0.049 . 397 41 41 LYS H H 8.231 0.011 . 398 41 41 LYS HA H 4.278 0.008 . 399 41 41 LYS HB2 H 1.678 0.002 . 400 41 41 LYS HB3 H 1.678 0.002 . 401 41 41 LYS HD2 H 1.556 0.001 . 402 41 41 LYS HD3 H 1.556 0.001 . 403 41 41 LYS HE2 H 2.880 0.011 . 404 41 41 LYS HE3 H 2.880 0.011 . 405 41 41 LYS HG2 H 1.317 0.007 . 406 41 41 LYS HG3 H 1.317 0.007 . 407 41 41 LYS C C 176.726 0.016 . 408 41 41 LYS CA C 56.390 0.105 . 409 41 41 LYS CB C 33.021 0.013 . 410 41 41 LYS CD C 29.074 0.000 . 411 41 41 LYS CE C 42.270 0.000 . 412 41 41 LYS CG C 24.794 0.000 . 413 41 41 LYS N N 122.410 0.048 . 414 42 42 THR H H 8.073 0.010 . 415 42 42 THR HA H 4.211 0.013 . 416 42 42 THR HB H 4.082 0.012 . 417 42 42 THR HG2 H 1.093 0.013 . 418 42 42 THR C C 174.073 0.044 . 419 42 42 THR CA C 61.628 0.060 . 420 42 42 THR CB C 69.823 0.011 . 421 42 42 THR CG2 C 21.458 0.000 . 422 42 42 THR N N 115.558 0.053 . 423 43 43 ALA H H 8.275 0.010 . 424 43 43 ALA HA H 4.258 0.011 . 425 43 43 ALA HB H 1.251 0.013 . 426 43 43 ALA C C 177.414 0.010 . 427 43 43 ALA CA C 52.227 0.039 . 428 43 43 ALA CB C 19.471 0.060 . 429 43 43 ALA N N 126.858 0.038 . 430 44 44 VAL H H 8.046 0.011 . 431 44 44 VAL HA H 3.971 0.013 . 432 44 44 VAL HB H 1.903 0.014 . 433 44 44 VAL HG1 H 0.853 0.004 . 434 44 44 VAL HG2 H 0.771 0.004 . 435 44 44 VAL C C 175.966 0.005 . 436 44 44 VAL CA C 62.075 0.048 . 437 44 44 VAL CB C 32.770 0.044 . 438 44 44 VAL CG1 C 20.768 0.000 . 439 44 44 VAL CG2 C 20.768 0.000 . 440 44 44 VAL N N 119.894 0.047 . 441 45 45 LYS H H 8.373 0.010 . 442 45 45 LYS HA H 4.296 0.010 . 443 45 45 LYS HB2 H 1.670 0.010 . 444 45 45 LYS HB3 H 1.670 0.010 . 445 45 45 LYS HD2 H 1.526 0.006 . 446 45 45 LYS HD3 H 1.526 0.006 . 447 45 45 LYS HE2 H 2.839 0.013 . 448 45 45 LYS HE3 H 2.839 0.013 . 449 45 45 LYS HG2 H 1.268 0.011 . 450 45 45 LYS HG3 H 1.268 0.011 . 451 45 45 LYS C C 176.157 0.032 . 452 45 45 LYS CA C 56.150 0.039 . 453 45 45 LYS CB C 33.187 0.057 . 454 45 45 LYS CD C 28.956 0.000 . 455 45 45 LYS CE C 42.182 0.000 . 456 45 45 LYS CG C 24.580 0.000 . 457 45 45 LYS N N 125.685 0.032 . 458 46 46 THR H H 8.173 0.009 . 459 46 46 THR HA H 4.391 0.014 . 460 46 46 THR HB H 4.122 0.013 . 461 46 46 THR HG2 H 1.102 0.011 . 462 46 46 THR C C 174.073 0.022 . 463 46 46 THR CA C 61.219 0.040 . 464 46 46 THR CB C 69.524 0.080 . 465 46 46 THR CG2 C 21.155 0.000 . 466 46 46 THR N N 117.846 0.058 . 467 47 47 VAL H H 8.174 0.009 . 468 47 47 VAL HA H 3.943 0.010 . 469 47 47 VAL HB H 1.915 0.014 . 470 47 47 VAL HG2 H 0.562 0.014 . 471 47 47 VAL C C 175.250 0.006 . 472 47 47 VAL CA C 63.151 0.037 . 473 47 47 VAL CB C 32.401 0.033 . 474 47 47 VAL CG1 C 21.611 0.000 . 475 47 47 VAL CG2 C 21.611 0.000 . 476 47 47 VAL N N 121.602 0.039 . 477 48 48 TRP H H 8.021 0.007 . 478 48 48 TRP HA H 5.145 0.010 . 479 48 48 TRP HB2 H 3.009 0.010 . 480 48 48 TRP HB3 H 2.827 0.015 . 481 48 48 TRP HD1 H 7.161 0.009 . 482 48 48 TRP HE1 H 10.312 0.003 . 483 48 48 TRP HE3 H 7.181 0.005 . 484 48 48 TRP HH2 H 6.852 0 . 485 48 48 TRP HZ2 H 7.374 0.004 . 486 48 48 TRP HZ3 H 6.808 0.007 . 487 48 48 TRP C C 176.486 0.012 . 488 48 48 TRP CA C 56.272 0.030 . 489 48 48 TRP CB C 30.904 0.062 . 490 48 48 TRP N N 121.701 0.040 . 491 48 48 TRP NE1 N 130.323 0.007 . 492 49 49 VAL H H 9.456 0.012 . 493 49 49 VAL HA H 4.384 0.009 . 494 49 49 VAL HB H 1.825 0.011 . 495 49 49 VAL HG2 H 0.773 0.011 . 496 49 49 VAL C C 174.834 0.014 . 497 49 49 VAL CA C 60.412 0.009 . 498 49 49 VAL CB C 34.812 0.122 . 499 49 49 VAL CG1 C 21.021 0.000 . 500 49 49 VAL CG2 C 21.021 0.000 . 501 49 49 VAL N N 121.721 0.064 . 502 50 50 GLU H H 8.485 0.011 . 503 50 50 GLU HA H 4.346 0.011 . 504 50 50 GLU HB2 H 1.771 0.013 . 505 50 50 GLU HB3 H 1.771 0.013 . 506 50 50 GLU HG2 H 1.882 0.009 . 507 50 50 GLU HG3 H 1.882 0.009 . 508 50 50 GLU C C 175.998 0.026 . 509 50 50 GLU CA C 55.683 0.029 . 510 50 50 GLU CB C 31.355 0.072 . 511 50 50 GLU CG C 36.715 0.061 . 512 50 50 GLU N N 125.369 0.058 . 513 51 51 GLY H H 8.364 0.009 . 514 51 51 GLY HA2 H 4.159 0.014 . 515 51 51 GLY HA3 H 2.717 0.018 . 516 51 51 GLY C C 171.099 0.027 . 517 51 51 GLY CA C 43.469 0.080 . 518 51 51 GLY N N 113.725 0.064 . 519 52 52 LEU H H 8.011 0.010 . 520 52 52 LEU HA H 4.960 0.009 . 521 52 52 LEU HB2 H 1.469 0.012 . 522 52 52 LEU HB3 H 1.296 0.011 . 523 52 52 LEU HD1 H 0.669 0.013 . 524 52 52 LEU HG H 1.452 0.009 . 525 52 52 LEU C C 177.534 0.021 . 526 52 52 LEU CA C 53.434 0.027 . 527 52 52 LEU CB C 45.083 0.078 . 528 52 52 LEU CD1 C 24.435 0.000 . 529 52 52 LEU CD2 C 24.435 0.000 . 530 52 52 LEU N N 120.606 0.058 . 531 53 53 SER H H 9.715 0.014 . 532 53 53 SER HA H 4.651 0.014 . 533 53 53 SER HB2 H 4.479 0.016 . 534 53 53 SER HB3 H 4.087 0.012 . 535 53 53 SER C C 176.385 0.000 . 536 53 53 SER CA C 57.645 0.131 . 537 53 53 SER CB C 65.448 0.078 . 538 53 53 SER N N 122.674 0.057 . 539 54 54 GLU H H 9.404 0.011 . 540 54 54 GLU HA H 4.035 0.014 . 541 54 54 GLU HB2 H 1.991 0.010 . 542 54 54 GLU HB3 H 1.991 0.010 . 543 54 54 GLU HG2 H 2.255 0.013 . 544 54 54 GLU HG3 H 2.255 0.013 . 545 54 54 GLU C C 176.825 0.017 . 546 54 54 GLU CA C 59.190 0.049 . 547 54 54 GLU CB C 29.360 0.043 . 548 54 54 GLU CG C 36.187 0.011 . 549 54 54 GLU N N 122.889 0.067 . 550 55 55 ASP H H 8.123 0.011 . 551 55 55 ASP HA H 4.527 0.013 . 552 55 55 ASP HB2 H 2.619 0.011 . 553 55 55 ASP HB3 H 2.554 0.013 . 554 55 55 ASP C C 175.663 0.041 . 555 55 55 ASP CA C 53.220 0.038 . 556 55 55 ASP CB C 40.119 0.061 . 557 55 55 ASP N N 114.263 0.059 . 558 56 56 GLY H H 7.912 0.008 . 559 56 56 GLY HA2 H 3.870 0.018 . 560 56 56 GLY HA3 H 3.416 0.011 . 561 56 56 GLY C C 173.984 0.032 . 562 56 56 GLY CA C 45.829 0.078 . 563 56 56 GLY N N 106.826 0.062 . 564 57 57 PHE H H 7.939 0.008 . 565 57 57 PHE HA H 4.838 0.005 . 566 57 57 PHE HB2 H 3.213 0.008 . 567 57 57 PHE HB3 H 3.013 0.010 . 568 57 57 PHE HD1 H 7.054 0.019 . 569 57 57 PHE HD2 H 7.054 0.019 . 570 57 57 PHE HE1 H 7.148 0.007 . 571 57 57 PHE HE2 H 7.148 0.007 . 572 57 57 PHE C C 175.740 0.011 . 573 57 57 PHE CA C 56.629 0.050 . 574 57 57 PHE CB C 40.623 0.047 . 575 57 57 PHE N N 119.650 0.043 . 576 58 58 THR H H 8.901 0.024 . 577 58 58 THR HA H 4.755 0.011 . 578 58 58 THR HB H 3.900 0.014 . 579 58 58 THR HG2 H 0.899 0.012 . 580 58 58 THR C C 173.373 0.015 . 581 58 58 THR CA C 63.633 0.037 . 582 58 58 THR CB C 69.899 0.026 . 583 58 58 THR CG2 C 21.616 0.000 . 584 58 58 THR N N 121.614 0.041 . 585 59 59 TYR H H 8.230 0.009 . 586 59 59 TYR HA H 4.705 0.007 . 587 59 59 TYR HB2 H 2.275 0.015 . 588 59 59 TYR HB3 H 2.275 0.015 . 589 59 59 TYR HD1 H 6.663 0.012 . 590 59 59 TYR HD2 H 6.663 0.012 . 591 59 59 TYR HE1 H 6.346 0.010 . 592 59 59 TYR HE2 H 6.346 0.010 . 593 59 59 TYR C C 171.481 0.022 . 594 59 59 TYR CA C 55.166 0.046 . 595 59 59 TYR CB C 39.900 0.044 . 596 59 59 TYR N N 123.720 0.037 . 597 60 60 TYR H H 8.795 0.008 . 598 60 60 TYR HA H 5.059 0.011 . 599 60 60 TYR HB2 H 2.674 0.013 . 600 60 60 TYR HB3 H 2.405 0.012 . 601 60 60 TYR HD1 H 6.608 0.008 . 602 60 60 TYR HD2 H 6.608 0.008 . 603 60 60 TYR HE1 H 6.584 0.005 . 604 60 60 TYR HE2 H 6.584 0.005 . 605 60 60 TYR C C 174.353 0.013 . 606 60 60 TYR CA C 56.517 0.013 . 607 60 60 TYR CB C 41.571 0.052 . 608 60 60 TYR N N 117.723 0.040 . 609 61 61 TYR H H 9.409 0.012 . 610 61 61 TYR HA H 5.500 0.013 . 611 61 61 TYR HB2 H 2.755 0.013 . 612 61 61 TYR HB3 H 2.755 0.013 . 613 61 61 TYR HD1 H 6.724 0.009 . 614 61 61 TYR HD2 H 6.724 0.009 . 615 61 61 TYR HE1 H 6.505 0.007 . 616 61 61 TYR HE2 H 6.505 0.007 . 617 61 61 TYR C C 173.168 0.010 . 618 61 61 TYR CA C 56.036 0.151 . 619 61 61 TYR CB C 41.934 0.108 . 620 61 61 TYR N N 123.770 0.062 . 621 62 62 ASN H H 8.245 0.008 . 622 62 62 ASN HA H 4.018 0.018 . 623 62 62 ASN HB2 H 2.267 0.014 . 624 62 62 ASN HB3 H 2.267 0.014 . 625 62 62 ASN HD21 H 7.353 0.004 . 626 62 62 ASN HD22 H 6.769 0.005 . 627 62 62 ASN C C 175.734 0.011 . 628 62 62 ASN CA C 51.435 0.079 . 629 62 62 ASN CB C 38.148 0.091 . 630 62 62 ASN N N 126.815 0.035 . 631 62 62 ASN ND2 N 116.618 0.027 . 632 63 63 THR H H 8.427 0.012 . 633 63 63 THR HA H 3.730 0.012 . 634 63 63 THR HB H 4.196 0.010 . 635 63 63 THR HG2 H 1.239 0.010 . 636 63 63 THR C C 175.666 0.000 . 637 63 63 THR CA C 63.931 0.075 . 638 63 63 THR CB C 68.856 0.050 . 639 63 63 THR CG2 C 22.325 0.000 . 640 63 63 THR N N 116.655 0.067 . 641 64 64 GLU H H 8.308 0.009 . 642 64 64 GLU HA H 4.188 0.011 . 643 64 64 GLU HB2 H 1.929 0.010 . 644 64 64 GLU HB3 H 1.705 0.011 . 645 64 64 GLU HG2 H 2.092 0.014 . 646 64 64 GLU HG3 H 1.961 0.014 . 647 64 64 GLU C C 178.138 0.016 . 648 64 64 GLU CA C 57.942 0.136 . 649 64 64 GLU CB C 30.455 0.049 . 650 64 64 GLU CG C 36.595 0.000 . 651 64 64 GLU N N 121.130 0.057 . 652 65 65 THR H H 7.584 0.008 . 653 65 65 THR HA H 4.192 0.011 . 654 65 65 THR HB H 4.162 0.008 . 655 65 65 THR HG2 H 0.915 0.013 . 656 65 65 THR C C 176.746 0.018 . 657 65 65 THR CA C 61.303 0.082 . 658 65 65 THR CB C 70.384 0.058 . 659 65 65 THR CG2 C 20.663 0.000 . 660 65 65 THR N N 107.858 0.028 . 661 66 66 GLY H H 8.227 0.009 . 662 66 66 GLY HA2 H 4.008 0.015 . 663 66 66 GLY HA3 H 3.548 0.012 . 664 66 66 GLY C C 173.631 0.007 . 665 66 66 GLY CA C 45.120 0.112 . 666 66 66 GLY N N 111.846 0.042 . 667 67 67 GLU H H 7.405 0.007 . 668 67 67 GLU HA H 4.138 0.013 . 669 67 67 GLU HB2 H 1.795 0.012 . 670 67 67 GLU HB3 H 1.795 0.012 . 671 67 67 GLU HG2 H 2.285 0.009 . 672 67 67 GLU HG3 H 2.130 0.013 . 673 67 67 GLU C C 174.652 0.010 . 674 67 67 GLU CA C 56.638 0.048 . 675 67 67 GLU CB C 31.372 0.080 . 676 67 67 GLU CG C 36.818 0.000 . 677 67 67 GLU N N 121.084 0.039 . 678 68 68 SER H H 8.427 0.011 . 679 68 68 SER HA H 5.794 0.017 . 680 68 68 SER HB2 H 3.570 0.013 . 681 68 68 SER HB3 H 3.570 0.013 . 682 68 68 SER C C 174.589 0.810 . 683 68 68 SER CA C 56.966 0.024 . 684 68 68 SER CB C 65.791 0.059 . 685 68 68 SER N N 117.110 0.097 . 686 69 69 ARG H H 9.463 0.013 . 687 69 69 ARG HA H 4.689 0.009 . 688 69 69 ARG HB2 H 1.948 0.008 . 689 69 69 ARG HB3 H 1.597 0.011 . 690 69 69 ARG HD2 H 2.707 0.012 . 691 69 69 ARG HD3 H 2.707 0.012 . 692 69 69 ARG HE H 6.986 0.000 . 693 69 69 ARG HG2 H 1.607 0.007 . 694 69 69 ARG HG3 H 1.488 0.009 . 695 69 69 ARG C C 175.200 0.041 . 696 69 69 ARG CA C 54.554 0.061 . 697 69 69 ARG CB C 35.097 0.073 . 698 69 69 ARG CD C 43.833 0.086 . 699 69 69 ARG CG C 26.998 0.151 . 700 69 69 ARG N N 121.771 0.057 . 701 69 69 ARG NE N 116.302 0.010 . 702 70 70 TRP H H 8.674 0.008 . 703 70 70 TRP HA H 4.931 0.008 . 704 70 70 TRP HB2 H 3.485 0.014 . 705 70 70 TRP HB3 H 3.000 0.008 . 706 70 70 TRP HD1 H 7.230 0.008 . 707 70 70 TRP HE1 H 9.958 0.003 . 708 70 70 TRP HE3 H 7.838 0.020 . 709 70 70 TRP HH2 H 7.007 0.005 . 710 70 70 TRP HZ2 H 7.214 0.010 . 711 70 70 TRP HZ3 H 6.958 0.007 . 712 70 70 TRP C C 175.866 0.053 . 713 70 70 TRP CA C 57.750 0.062 . 714 70 70 TRP CB C 30.143 0.046 . 715 70 70 TRP N N 120.708 0.045 . 716 70 70 TRP NE1 N 128.745 0.005 . 717 71 71 GLU H H 7.639 0.015 . 718 71 71 GLU HA H 4.417 0.012 . 719 71 71 GLU HB2 H 1.829 0.014 . 720 71 71 GLU HB3 H 1.725 0.010 . 721 71 71 GLU HG2 H 2.285 0.002 . 722 71 71 GLU HG3 H 2.086 0.010 . 723 71 71 GLU C C 175.089 0.008 . 724 71 71 GLU CA C 55.054 0.053 . 725 71 71 GLU CB C 31.310 0.049 . 726 71 71 GLU CG C 35.950 0.000 . 727 71 71 GLU N N 118.276 0.074 . 728 72 72 LYS H H 8.344 0.006 . 729 72 72 LYS HA H 4.426 0.000 . 730 72 72 LYS HB2 H 1.306 0.005 . 731 72 72 LYS HB3 H 1.306 0.005 . 732 72 72 LYS HD2 H 1.184 0.000 . 733 72 72 LYS HD3 H 1.184 0.000 . 734 72 72 LYS HE2 H 2.992 0.000 . 735 72 72 LYS HE3 H 2.992 0.000 . 736 72 72 LYS HG2 H 0.979 0.000 . 737 72 72 LYS HG3 H 0.979 0.000 . 738 72 72 LYS C C 174.843 0.000 . 739 72 72 LYS CA C 54.719 0.000 . 740 72 72 LYS CB C 32.257 0.000 . 741 72 72 LYS N N 125.003 0.068 . 742 73 73 PRO HA H 3.895 0.019 . 743 73 73 PRO HB2 H 1.279 0.018 . 744 73 73 PRO HB3 H 1.144 0.018 . 745 73 73 PRO HG2 H 0.571 0.000 . 746 73 73 PRO HG3 H 0.311 0.025 . 747 73 73 PRO C C 176.392 0.007 . 748 73 73 PRO CA C 62.347 0.024 . 749 73 73 PRO CB C 31.554 0.021 . 750 73 73 PRO CD C 50.557 0.000 . 751 73 73 PRO CG C 26.159 0.000 . 752 74 74 ASP H H 8.268 0.009 . 753 74 74 ASP HA H 4.220 0.017 . 754 74 74 ASP HB2 H 2.461 0.013 . 755 74 74 ASP HB3 H 2.461 0.013 . 756 74 74 ASP C C 176.376 0.000 . 757 74 74 ASP CA C 54.929 0.083 . 758 74 74 ASP CB C 40.898 0.107 . 759 74 74 ASP N N 121.329 0.096 . 760 75 75 ASP H H 8.195 0.010 . 761 75 75 ASP HA H 4.401 0.014 . 762 75 75 ASP HB2 H 2.561 0.015 . 763 75 75 ASP HB3 H 2.516 0.015 . 764 75 75 ASP C C 176.398 0.000 . 765 75 75 ASP CA C 54.355 0.137 . 766 75 75 ASP CB C 40.825 0.108 . 767 75 75 ASP N N 118.636 0.054 . stop_ save_