data_27467 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of FAT10 ; _BMRB_accession_number 27467 _BMRB_flat_file_name bmr27467.str _Entry_type original _Submission_date 2018-04-28 _Accession_date 2018-04-28 _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 Wiesner Silke . . 2 Anders Samira . . 3 Stotz Sophie . . 4 Roessler Philip . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 458 "13C chemical shifts" 266 "15N chemical shifts" 83 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2018-11-07 update BMRB 'update entry citation' 2018-07-31 original author 'original release' stop_ _Original_release_date 2018-04-30 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; The structure of the ubiquitin-like modifier FAT10 reveals an alternative targeting mechanism for proteasomal degradation ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 30127417 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Aichem Annette . . 2 Anders Samira . . 3 Catone Nicola . . 4 Rossler Philip . . 5 Stotz Sophie . . 6 Berg Andrej . . 7 Schwab Ricarda . . 8 Scheuermann Sophia . . 9 Bialas Johanna . . 10 Schutz-Stoffregen Mira C. . 11 Schmidtke Gunter . . 12 Peter Christine . . 13 Groettrup Marcus . . 14 Wiesner Silke . . stop_ _Journal_abbreviation 'Nat. Commun.' _Journal_name_full 'Nature communications' _Journal_volume 9 _Journal_issue 1 _Journal_ISSN 2041-1723 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 3321 _Page_last 3321 _Year 2018 _Details . loop_ _Keyword FAT10 VCP degradation proteasome 'ubiquitin-like modifier' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'FAT10 C-terminal domain' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'FAT10 C-terminal domain' $fat10_c stop_ _System_molecular_weight 9251.70 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . loop_ _Magnetic_equivalence_ID _Magnetically_equivalent_system_component 1 'FAT10 C-terminal domain' stop_ _Database_query_date . _Details Monomer save_ ######################## # Monomeric polymers # ######################## save_fat10_c _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common fat10_c _Molecular_mass . _Mol_thiol_state 'not present' loop_ _Biological_function 'protein degradation' 'protein modification' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 85 _Mol_residue_sequence ; GAMGDEELPLFLVESGDEAK RHLLQVRRSSSVAQVKAMIE TKTGIIPETQIVTLNGKRLE DGKMMADYGIRKGNLLFLAS YSIGG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 ALA 3 MET 4 GLY 5 ASP 6 GLU 7 GLU 8 LEU 9 PRO 10 LEU 11 PHE 12 LEU 13 VAL 14 GLU 15 SER 16 GLY 17 ASP 18 GLU 19 ALA 20 LYS 21 ARG 22 HIS 23 LEU 24 LEU 25 GLN 26 VAL 27 ARG 28 ARG 29 SER 30 SER 31 SER 32 VAL 33 ALA 34 GLN 35 VAL 36 LYS 37 ALA 38 MET 39 ILE 40 GLU 41 THR 42 LYS 43 THR 44 GLY 45 ILE 46 ILE 47 PRO 48 GLU 49 THR 50 GLN 51 ILE 52 VAL 53 THR 54 LEU 55 ASN 56 GLY 57 LYS 58 ARG 59 LEU 60 GLU 61 ASP 62 GLY 63 LYS 64 MET 65 MET 66 ALA 67 ASP 68 TYR 69 GLY 70 ILE 71 ARG 72 LYS 73 GLY 74 ASN 75 LEU 76 LEU 77 PHE 78 LEU 79 ALA 80 SER 81 TYR 82 SER 83 ILE 84 GLY 85 GLY 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 GB AAD52982.1 'ubiquitin-like protein FAT10' . . . . . stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $fat10_c Human 9606 Eukaryota Metazoa Homo sapiens 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 $fat10_c 'recombinant technology' . Escherichia coli . pETM-41 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 $fat10_c 2 mM '[U-100% 13C; U-100% 15N]' 'sodium phosphate' 20 mM 'natural abundance' 'sodium chloride' 150 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_XEASY _Saveframe_category software _Name XEASY _Version . loop_ _Vendor _Address _Electronic_address 'Keller and Wuthrich' . . stop_ loop_ _Task 'chemical shift assignment' 'peak picking' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_2D_1H-1H_NOESY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_C(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNHA_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHA' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.2 . M pH 7.5 . 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 protons ppm 0 na indirect . . . . water H 1 protons ppm 4.78 internal indirect . . . 1 water N 15 protons ppm 0 na indirect . . . . 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_ _Software_label $XEASY stop_ loop_ _Experiment_label '2D 1H-1H NOESY' '3D 1H-15N NOESY' '3D 1H-13C NOESY' 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 'FAT10 C-terminal domain' _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 1 1 GLY HA2 H 3.832 0.000 . 2 1 1 GLY CA C 43.745 0.000 . 3 2 2 ALA HA H 4.432 0.000 . 4 2 2 ALA HB H 1.457 0.000 . 5 2 2 ALA CA C 52.566 0.000 . 6 2 2 ALA CB C 19.107 0.000 . 7 3 3 MET HA H 4.532 0.000 . 8 3 3 MET HB2 H 2.142 0.000 . 9 3 3 MET HG2 H 2.700 0.000 . 10 3 3 MET HG3 H 2.627 0.000 . 11 3 3 MET CA C 55.770 0.000 . 12 3 3 MET CB C 32.546 0.000 . 13 3 3 MET CG C 32.078 0.000 . 14 4 4 GLY H H 8.545 0.000 . 15 4 4 GLY N N 110.530 0.000 . 16 5 5 ASP HA H 4.886 0.000 . 17 5 5 ASP HB2 H 2.744 0.000 . 18 5 5 ASP HB3 H 2.527 0.000 . 19 5 5 ASP CA C 53.485 0.000 . 20 5 5 ASP CB C 41.464 0.000 . 21 6 6 GLU H H 8.264 0.000 . 22 6 6 GLU HA H 4.195 0.000 . 23 6 6 GLU HB2 H 2.008 0.000 . 24 6 6 GLU HG2 H 2.238 0.000 . 25 6 6 GLU CA C 56.957 0.000 . 26 6 6 GLU CB C 30.716 0.000 . 27 6 6 GLU CG C 36.147 0.000 . 28 6 6 GLU N N 120.681 0.000 . 29 7 7 GLU H H 8.523 0.005 . 30 7 7 GLU HA H 4.156 0.010 . 31 7 7 GLU HB2 H 1.921 0.006 . 32 7 7 GLU HB3 H 1.792 0.001 . 33 7 7 GLU HG2 H 2.146 0.007 . 34 7 7 GLU HG3 H 1.999 0.000 . 35 7 7 GLU CA C 56.342 0.000 . 36 7 7 GLU CB C 31.117 0.000 . 37 7 7 GLU CG C 37.088 0.000 . 38 7 7 GLU N N 121.499 0.000 . 39 8 8 LEU H H 9.087 0.001 . 40 8 8 LEU HA H 4.859 0.000 . 41 8 8 LEU HB2 H 1.698 0.000 . 42 8 8 LEU HB3 H 1.007 0.018 . 43 8 8 LEU HG H 1.707 0.000 . 44 8 8 LEU HD1 H 0.689 0.023 . 45 8 8 LEU HD2 H 0.815 0.026 . 46 8 8 LEU CA C 51.527 0.000 . 47 8 8 LEU CB C 43.911 0.000 . 48 8 8 LEU CG C 26.980 0.000 . 49 8 8 LEU CD1 C 25.996 0.000 . 50 8 8 LEU CD2 C 25.012 0.000 . 51 8 8 LEU N N 126.369 0.000 . 52 9 9 PRO HA H 4.810 0.002 . 53 9 9 PRO HB2 H 2.041 0.043 . 54 9 9 PRO HB3 H 1.727 0.000 . 55 9 9 PRO HG2 H 2.325 0.026 . 56 9 9 PRO HG3 H 2.163 0.000 . 57 9 9 PRO HD2 H 3.913 0.000 . 58 9 9 PRO HD3 H 3.884 0.000 . 59 9 9 PRO CA C 61.656 0.000 . 60 9 9 PRO CB C 31.460 0.000 . 61 9 9 PRO CG C 27.762 0.000 . 62 9 9 PRO CD C 50.268 0.000 . 63 10 10 LEU H H 8.711 0.000 . 64 10 10 LEU HA H 4.612 0.009 . 65 10 10 LEU HB2 H 1.436 0.023 . 66 10 10 LEU HB3 H 1.312 0.002 . 67 10 10 LEU HG H 1.676 0.003 . 68 10 10 LEU HD1 H 0.817 0.000 . 69 10 10 LEU HD2 H 0.753 0.015 . 70 10 10 LEU CA C 53.450 0.000 . 71 10 10 LEU CB C 45.497 0.000 . 72 10 10 LEU CG C 28.064 0.000 . 73 10 10 LEU CD1 C 25.733 0.000 . 74 10 10 LEU CD2 C 25.733 0.000 . 75 10 10 LEU N N 126.775 0.000 . 76 11 11 PHE H H 8.239 0.000 . 77 11 11 PHE HA H 5.360 0.008 . 78 11 11 PHE HB2 H 2.753 0.008 . 79 11 11 PHE HB3 H 2.543 0.021 . 80 11 11 PHE HD1 H 6.962 0.012 . 81 11 11 PHE HD2 H 6.962 0.012 . 82 11 11 PHE HE1 H 7.332 0.011 . 83 11 11 PHE HE2 H 7.332 0.011 . 84 11 11 PHE CA C 56.675 0.000 . 85 11 11 PHE CB C 41.212 0.000 . 86 11 11 PHE N N 116.117 0.000 . 87 12 12 LEU H H 9.308 0.002 . 88 12 12 LEU HA H 5.057 0.027 . 89 12 12 LEU HB2 H 1.981 0.018 . 90 12 12 LEU HB3 H 1.280 0.022 . 91 12 12 LEU HG H 1.505 0.028 . 92 12 12 LEU HD1 H 0.900 0.007 . 93 12 12 LEU HD2 H 0.794 0.006 . 94 12 12 LEU CA C 53.211 0.000 . 95 12 12 LEU CB C 45.062 0.000 . 96 12 12 LEU CG C 27.343 0.000 . 97 12 12 LEU CD1 C 24.656 0.000 . 98 12 12 LEU CD2 C 27.008 0.000 . 99 12 12 LEU N N 125.150 0.000 . 100 13 13 VAL H H 9.164 0.000 . 101 13 13 VAL HA H 4.528 0.001 . 102 13 13 VAL HB H 1.690 0.001 . 103 13 13 VAL HG1 H 0.915 0.025 . 104 13 13 VAL HG2 H 0.583 0.019 . 105 13 13 VAL CA C 61.484 0.000 . 106 13 13 VAL CB C 33.689 0.000 . 107 13 13 VAL CG1 C 21.398 0.000 . 108 13 13 VAL CG2 C 21.075 0.000 . 109 13 13 VAL N N 128.400 0.000 . 110 14 14 GLU H H 8.734 0.002 . 111 14 14 GLU HA H 4.542 0.011 . 112 14 14 GLU HB2 H 2.326 0.000 . 113 14 14 GLU HB3 H 2.128 0.000 . 114 14 14 GLU HG2 H 2.385 0.000 . 115 14 14 GLU HG3 H 2.222 0.000 . 116 14 14 GLU CA C 56.648 0.000 . 117 14 14 GLU CB C 31.194 0.000 . 118 14 14 GLU CG C 37.748 0.000 . 119 14 14 GLU N N 126.775 0.000 . 120 15 15 SER H H 8.628 0.000 . 121 15 15 SER HA H 4.459 0.023 . 122 15 15 SER HB2 H 3.974 0.028 . 123 15 15 SER CA C 59.665 0.000 . 124 15 15 SER CB C 63.931 0.000 . 125 15 15 SER N N 117.838 0.000 . 126 16 16 GLY H H 8.583 0.001 . 127 16 16 GLY HA2 H 4.245 0.012 . 128 16 16 GLY HA3 H 3.947 0.004 . 129 16 16 GLY CA C 45.043 0.000 . 130 16 16 GLY N N 110.530 0.000 . 131 17 17 ASP H H 8.197 0.008 . 132 17 17 ASP HA H 4.551 0.010 . 133 17 17 ASP HB2 H 2.784 0.008 . 134 17 17 ASP HB3 H 2.569 0.000 . 135 17 17 ASP CA C 55.085 0.000 . 136 17 17 ASP CB C 41.068 0.000 . 137 17 17 ASP N N 120.280 0.000 . 138 18 18 GLU H H 8.560 0.010 . 139 18 18 GLU HA H 4.143 0.000 . 140 18 18 GLU HB2 H 2.090 0.016 . 141 18 18 GLU HB3 H 1.954 0.002 . 142 18 18 GLU HG2 H 2.295 0.007 . 143 18 18 GLU CA C 57.653 0.000 . 144 18 18 GLU CB C 29.744 0.000 . 145 18 18 GLU CG C 36.833 0.000 . 146 18 18 GLU N N 120.161 0.000 . 147 19 19 ALA H H 7.989 0.000 . 148 19 19 ALA HA H 4.182 0.000 . 149 19 19 ALA HB H 1.370 0.002 . 150 19 19 ALA CA C 52.577 0.000 . 151 19 19 ALA CB C 18.940 0.000 . 152 19 19 ALA N N 121.905 0.000 . 153 20 20 LYS H H 7.960 0.003 . 154 20 20 LYS HA H 4.183 0.010 . 155 20 20 LYS HB2 H 1.772 0.000 . 156 20 20 LYS HB3 H 1.689 0.000 . 157 20 20 LYS HG2 H 1.697 0.016 . 158 20 20 LYS HG3 H 1.255 0.008 . 159 20 20 LYS HD2 H 1.349 0.000 . 160 20 20 LYS HD3 H 1.249 0.000 . 161 20 20 LYS HE2 H 3.062 0.000 . 162 20 20 LYS HE3 H 3.002 0.000 . 163 20 20 LYS CA C 56.503 0.000 . 164 20 20 LYS CB C 33.117 0.000 . 165 20 20 LYS CG C 29.031 0.000 . 166 20 20 LYS CD C 24.847 0.000 . 167 20 20 LYS CE C 41.999 0.000 . 168 20 20 LYS N N 121.088 0.000 . 169 21 21 ARG H H 7.873 0.002 . 170 21 21 ARG HA H 5.363 0.007 . 171 21 21 ARG HB2 H 1.635 0.021 . 172 21 21 ARG HG2 H 1.506 0.017 . 173 21 21 ARG HD2 H 2.882 0.000 . 174 21 21 ARG HD3 H 2.765 0.000 . 175 21 21 ARG CA C 54.227 0.000 . 176 21 21 ARG CB C 33.518 0.000 . 177 21 21 ARG CG C 27.401 0.000 . 178 21 21 ARG CD C 43.636 0.000 . 179 21 21 ARG N N 120.939 0.000 . 180 22 22 HIS H H 9.189 0.009 . 181 22 22 HIS HA H 4.857 0.021 . 182 22 22 HIS HB2 H 2.904 0.012 . 183 22 22 HIS HD2 H 6.704 0.000 . 184 22 22 HIS HE1 H 7.702 0.024 . 185 22 22 HIS CA C 54.570 0.000 . 186 22 22 HIS CB C 34.489 0.000 . 187 22 22 HIS N N 121.900 0.000 . 188 23 23 LEU H H 8.896 0.005 . 189 23 23 LEU HA H 4.443 0.008 . 190 23 23 LEU HB2 H 1.728 0.001 . 191 23 23 LEU HB3 H 1.497 0.000 . 192 23 23 LEU HG H 1.223 0.010 . 193 23 23 LEU HD1 H 0.751 0.000 . 194 23 23 LEU HD2 H 0.552 0.008 . 195 23 23 LEU CA C 55.432 0.000 . 196 23 23 LEU CB C 42.523 0.000 . 197 23 23 LEU CG C 27.744 0.000 . 198 23 23 LEU CD1 C 25.571 0.000 . 199 23 23 LEU CD2 C 23.399 0.000 . 200 23 23 LEU N N 126.775 0.000 . 201 24 24 LEU H H 9.084 0.003 . 202 24 24 LEU HA H 4.618 0.012 . 203 24 24 LEU HB2 H 1.475 0.000 . 204 24 24 LEU HB3 H 1.339 0.000 . 205 24 24 LEU HG H 1.619 0.000 . 206 24 24 LEU HD1 H 0.730 0.005 . 207 24 24 LEU HD2 H 0.771 0.000 . 208 24 24 LEU CA C 53.427 0.000 . 209 24 24 LEU CB C 45.098 0.000 . 210 24 24 LEU CG C 27.686 0.000 . 211 24 24 LEU CD1 C 26.486 0.000 . 212 24 24 LEU N N 127.994 0.000 . 213 25 25 GLN H H 8.210 0.000 . 214 25 25 GLN HA H 4.770 0.020 . 215 25 25 GLN HB2 H 1.843 0.000 . 216 25 25 GLN HB3 H 1.714 0.015 . 217 25 25 GLN HG2 H 2.163 0.047 . 218 25 25 GLN HG3 H 2.148 0.013 . 219 25 25 GLN HE21 H 7.237 0.007 . 220 25 25 GLN HE22 H 6.508 0.002 . 221 25 25 GLN CA C 54.570 0.000 . 222 25 25 GLN CB C 28.773 0.000 . 223 25 25 GLN CG C 33.175 0.000 . 224 25 25 GLN N N 121.494 0.000 . 225 25 25 GLN NE2 N 109.306 0.000 . 226 26 26 VAL H H 8.603 0.005 . 227 26 26 VAL HA H 4.337 0.011 . 228 26 26 VAL HB H 1.940 0.008 . 229 26 26 VAL HG1 H 0.870 0.017 . 230 26 26 VAL HG2 H 0.761 0.017 . 231 26 26 VAL CA C 60.349 0.000 . 232 26 26 VAL CB C 35.290 0.000 . 233 26 26 VAL CG1 C 22.551 0.000 . 234 26 26 VAL CG2 C 21.567 0.000 . 235 26 26 VAL N N 122.713 0.000 . 236 27 27 ARG H H 8.542 0.002 . 237 27 27 ARG HA H 4.916 0.014 . 238 27 27 ARG HB2 H 1.989 0.006 . 239 27 27 ARG HB3 H 1.677 0.001 . 240 27 27 ARG HG2 H 1.455 0.005 . 241 27 27 ARG HD2 H 3.240 0.000 . 242 27 27 ARG HD3 H 3.108 0.000 . 243 27 27 ARG CA C 54.970 0.000 . 244 27 27 ARG CB C 31.917 0.000 . 245 27 27 ARG CG C 28.544 0.000 . 246 27 27 ARG CD C 43.392 0.000 . 247 27 27 ARG N N 123.119 0.000 . 248 28 28 ARG H H 9.261 0.002 . 249 28 28 ARG HA H 3.805 0.029 . 250 28 28 ARG HB2 H 1.959 0.011 . 251 28 28 ARG HB3 H 1.665 0.000 . 252 28 28 ARG HG2 H 1.834 0.009 . 253 28 28 ARG HG3 H 1.633 0.000 . 254 28 28 ARG HD2 H 3.300 0.000 . 255 28 28 ARG CA C 60.272 0.000 . 256 28 28 ARG CB C 29.496 0.000 . 257 28 28 ARG CG C 29.052 0.000 . 258 28 28 ARG CD C 43.211 0.000 . 259 28 28 ARG N N 123.525 0.000 . 260 29 29 SER H H 7.859 0.002 . 261 29 29 SER HA H 4.411 0.011 . 262 29 29 SER HB2 H 4.173 0.004 . 263 29 29 SER HB3 H 3.798 0.001 . 264 29 29 SER CA C 57.891 0.000 . 265 29 29 SER CB C 62.893 0.000 . 266 29 29 SER N N 108.900 0.000 . 267 30 30 SER H H 7.764 0.005 . 268 30 30 SER HA H 4.629 0.000 . 269 30 30 SER HB2 H 4.005 0.000 . 270 30 30 SER HB3 H 3.893 0.013 . 271 30 30 SER CA C 60.387 0.000 . 272 30 30 SER CB C 63.898 0.000 . 273 30 30 SER N N 118.458 0.000 . 274 31 31 SER H H 9.261 0.001 . 275 31 31 SER HA H 5.130 0.022 . 276 31 31 SER HB2 H 4.598 0.010 . 277 31 31 SER HB3 H 4.083 0.011 . 278 31 31 SER CA C 56.851 0.000 . 279 31 31 SER CB C 65.886 0.000 . 280 31 31 SER N N 121.791 0.000 . 281 32 32 VAL H H 8.597 0.002 . 282 32 32 VAL HA H 3.551 0.011 . 283 32 32 VAL HB H 2.149 0.000 . 284 32 32 VAL HG1 H 1.052 0.009 . 285 32 32 VAL HG2 H 0.732 0.014 . 286 32 32 VAL CA C 67.598 0.000 . 287 32 32 VAL CB C 32.171 0.000 . 288 32 32 VAL CG1 C 24.771 0.000 . 289 32 32 VAL CG2 C 21.627 0.000 . 290 32 32 VAL N N 121.900 0.000 . 291 33 33 ALA H H 8.535 0.015 . 292 33 33 ALA HA H 4.071 0.021 . 293 33 33 ALA HB H 1.499 0.010 . 294 33 33 ALA CA C 55.713 0.000 . 295 33 33 ALA CB C 18.000 0.000 . 296 33 33 ALA N N 121.384 0.000 . 297 34 34 GLN H H 8.180 0.005 . 298 34 34 GLN HA H 4.071 0.008 . 299 34 34 GLN HB2 H 2.589 0.000 . 300 34 34 GLN HB3 H 2.062 0.009 . 301 34 34 GLN HG2 H 2.523 0.005 . 302 34 34 GLN HE21 H 7.400 0.296 . 303 34 34 GLN HE22 H 6.942 0.000 . 304 34 34 GLN CA C 58.874 0.000 . 305 34 34 GLN CB C 28.329 0.000 . 306 34 34 GLN CG C 34.890 0.000 . 307 34 34 GLN N N 118.656 0.000 . 308 34 34 GLN NE2 N 112.150 0.000 . 309 35 35 VAL H H 7.966 0.002 . 310 35 35 VAL HA H 3.861 0.009 . 311 35 35 VAL HB H 2.214 0.025 . 312 35 35 VAL HG1 H 1.115 0.016 . 313 35 35 VAL HG2 H 0.749 0.018 . 314 35 35 VAL CA C 66.913 0.000 . 315 35 35 VAL CB C 31.657 0.000 . 316 35 35 VAL CG1 C 24.428 0.000 . 317 35 35 VAL CG2 C 20.769 0.000 . 318 35 35 VAL N N 123.119 0.000 . 319 36 36 LYS H H 9.022 0.001 . 320 36 36 LYS HA H 4.384 0.010 . 321 36 36 LYS HB2 H 1.880 0.008 . 322 36 36 LYS HB3 H 1.593 0.000 . 323 36 36 LYS HG2 H 1.704 0.000 . 324 36 36 LYS HG3 H 1.573 0.000 . 325 36 36 LYS HD2 H 1.666 0.000 . 326 36 36 LYS HD3 H 1.436 0.010 . 327 36 36 LYS HE2 H 2.832 0.000 . 328 36 36 LYS HE3 H 2.573 0.000 . 329 36 36 LYS CA C 60.435 0.000 . 330 36 36 LYS CB C 32.900 0.000 . 331 36 36 LYS CG C 30.203 0.000 . 332 36 36 LYS CD C 26.314 0.000 . 333 36 36 LYS CE C 42.550 0.000 . 334 36 36 LYS N N 120.152 0.000 . 335 37 37 ALA H H 8.005 0.002 . 336 37 37 ALA HA H 4.299 0.002 . 337 37 37 ALA HB H 1.565 0.009 . 338 37 37 ALA CA C 55.368 0.000 . 339 37 37 ALA CB C 17.682 0.000 . 340 37 37 ALA N N 123.512 0.000 . 341 38 38 MET H H 7.761 0.004 . 342 38 38 MET HA H 4.223 0.015 . 343 38 38 MET HB2 H 2.500 0.019 . 344 38 38 MET HB3 H 2.099 0.000 . 345 38 38 MET HG2 H 2.939 0.014 . 346 38 38 MET HG3 H 2.655 0.013 . 347 38 38 MET HE H 2.241 0.000 . 348 38 38 MET CA C 59.313 0.000 . 349 38 38 MET CB C 33.371 0.000 . 350 38 38 MET CG C 31.900 0.000 . 351 38 38 MET CE C 9.752 0.000 . 352 38 38 MET N N 119.869 0.000 . 353 39 39 ILE H H 8.643 0.004 . 354 39 39 ILE HA H 3.293 0.013 . 355 39 39 ILE HB H 2.230 0.008 . 356 39 39 ILE HG12 H 1.965 0.022 . 357 39 39 ILE HG13 H 0.851 0.026 . 358 39 39 ILE HG2 H 0.723 0.015 . 359 39 39 ILE HD1 H 0.758 0.000 . 360 39 39 ILE CA C 66.284 0.000 . 361 39 39 ILE CB C 37.176 0.000 . 362 39 39 ILE CG1 C 29.486 0.000 . 363 39 39 ILE CG2 C 17.886 0.000 . 364 39 39 ILE CD1 C 14.480 0.000 . 365 39 39 ILE N N 121.494 0.000 . 366 40 40 GLU H H 8.471 0.005 . 367 40 40 GLU HA H 3.941 0.036 . 368 40 40 GLU HB2 H 2.350 0.017 . 369 40 40 GLU HB3 H 1.832 0.002 . 370 40 40 GLU HG2 H 2.023 0.000 . 371 40 40 GLU HG3 H 1.938 0.014 . 372 40 40 GLU CA C 59.827 0.000 . 373 40 40 GLU CB C 28.945 0.000 . 374 40 40 GLU CG C 35.667 0.000 . 375 40 40 GLU N N 126.372 0.000 . 376 41 41 THR H H 7.912 0.004 . 377 41 41 THR HA H 3.968 0.017 . 378 41 41 THR HB H 4.284 0.000 . 379 41 41 THR HG2 H 1.328 0.024 . 380 41 41 THR CA C 66.341 0.000 . 381 41 41 THR CB C 68.646 0.000 . 382 41 41 THR CG2 C 22.115 0.000 . 383 41 41 THR N N 116.218 0.000 . 384 42 42 LYS H H 7.222 0.003 . 385 42 42 LYS HA H 4.275 0.004 . 386 42 42 LYS HB2 H 1.544 0.037 . 387 42 42 LYS HB3 H 1.292 0.000 . 388 42 42 LYS HG2 H 1.605 0.000 . 389 42 42 LYS HD2 H 1.525 0.033 . 390 42 42 LYS HD3 H 1.096 0.015 . 391 42 42 LYS HE2 H 3.041 0.000 . 392 42 42 LYS HE3 H 2.946 0.000 . 393 42 42 LYS CA C 56.512 0.000 . 394 42 42 LYS CB C 33.042 0.000 . 395 42 42 LYS CG C 27.858 0.000 . 396 42 42 LYS CD C 24.599 0.000 . 397 42 42 LYS CE C 42.233 0.000 . 398 42 42 LYS N N 116.102 0.000 . 399 43 43 THR H H 7.798 0.012 . 400 43 43 THR HA H 4.534 0.012 . 401 43 43 THR HB H 4.176 0.004 . 402 43 43 THR HG2 H 0.856 0.002 . 403 43 43 THR CA C 62.378 0.000 . 404 43 43 THR CB C 73.193 0.000 . 405 43 43 THR CG2 C 20.998 0.000 . 406 43 43 THR N N 130.838 0.000 . 407 44 44 GLY H H 8.926 0.000 . 408 44 44 GLY HA2 H 4.238 0.006 . 409 44 44 GLY HA3 H 3.804 0.005 . 410 44 44 GLY CA C 45.364 0.000 . 411 44 44 GLY N N 113.369 0.000 . 412 45 45 ILE H H 7.687 0.005 . 413 45 45 ILE HA H 4.045 0.006 . 414 45 45 ILE HB H 1.559 0.010 . 415 45 45 ILE HG12 H 1.345 0.014 . 416 45 45 ILE HG13 H 0.976 0.000 . 417 45 45 ILE HG2 H 0.861 0.016 . 418 45 45 ILE HD1 H 0.783 0.000 . 419 45 45 ILE CA C 60.913 0.000 . 420 45 45 ILE CB C 37.470 0.000 . 421 45 45 ILE CG1 C 27.320 0.000 . 422 45 45 ILE CG2 C 18.020 0.000 . 423 45 45 ILE CD1 C 12.382 0.000 . 424 45 45 ILE N N 123.119 0.000 . 425 46 46 ILE H H 8.163 0.001 . 426 46 46 ILE HA H 4.340 0.020 . 427 46 46 ILE HB H 2.113 0.002 . 428 46 46 ILE HG12 H 1.518 0.000 . 429 46 46 ILE HG2 H 1.105 0.000 . 430 46 46 ILE HD1 H 0.929 0.000 . 431 46 46 ILE CA C 60.966 0.000 . 432 46 46 ILE CB C 36.551 0.000 . 433 46 46 ILE CG1 C 26.980 0.000 . 434 46 46 ILE CG2 C 17.547 0.000 . 435 46 46 ILE CD1 C 13.754 0.000 . 436 46 46 ILE N N 125.198 0.000 . 437 47 47 PRO HA H 4.062 0.005 . 438 47 47 PRO HB2 H 2.309 0.000 . 439 47 47 PRO HB3 H 1.998 0.000 . 440 47 47 PRO HG2 H 2.243 0.000 . 441 47 47 PRO HG3 H 1.610 0.000 . 442 47 47 PRO HD2 H 3.961 0.000 . 443 47 47 PRO HD3 H 3.688 0.016 . 444 47 47 PRO CA C 66.913 0.000 . 445 47 47 PRO CB C 32.832 0.000 . 446 47 47 PRO CG C 27.744 0.000 . 447 47 47 PRO CD C 50.977 0.000 . 448 48 48 GLU H H 9.173 0.002 . 449 48 48 GLU HA H 4.177 0.006 . 450 48 48 GLU HB2 H 2.132 0.000 . 451 48 48 GLU HB3 H 2.052 0.007 . 452 48 48 GLU HG2 H 2.393 0.000 . 453 48 48 GLU HG3 H 2.290 0.002 . 454 48 48 GLU CA C 59.529 0.000 . 455 48 48 GLU CB C 29.230 0.000 . 456 48 48 GLU CG C 37.005 0.000 . 457 48 48 GLU N N 115.400 0.000 . 458 49 49 THR H H 7.902 0.001 . 459 49 49 THR HA H 4.401 0.009 . 460 49 49 THR HB H 4.239 0.014 . 461 49 49 THR HG2 H 1.194 0.007 . 462 49 49 THR CA C 61.484 0.000 . 463 49 49 THR CB C 69.808 0.000 . 464 49 49 THR CG2 C 22.713 0.000 . 465 49 49 THR N N 111.744 0.000 . 466 50 50 GLN H H 7.283 0.005 . 467 50 50 GLN HA H 4.010 0.015 . 468 50 50 GLN HB2 H 1.951 0.000 . 469 50 50 GLN HB3 H 1.875 0.007 . 470 50 50 GLN HG2 H 2.530 0.009 . 471 50 50 GLN HG3 H 1.728 0.023 . 472 50 50 GLN HE21 H 6.938 0.003 . 473 50 50 GLN HE22 H 6.765 0.006 . 474 50 50 GLN CA C 56.653 0.000 . 475 50 50 GLN CB C 30.831 0.000 . 476 50 50 GLN CG C 33.575 0.000 . 477 50 50 GLN N N 121.494 0.000 . 478 50 50 GLN NE2 N 129.213 0.000 . 479 51 51 ILE H H 8.635 0.000 . 480 51 51 ILE HA H 4.112 0.000 . 481 51 51 ILE HB H 1.750 0.002 . 482 51 51 ILE HG12 H 0.880 0.009 . 483 51 51 ILE HG2 H 0.784 0.000 . 484 51 51 ILE HD1 H 0.699 0.024 . 485 51 51 ILE CA C 61.484 0.000 . 486 51 51 ILE CB C 38.313 0.000 . 487 51 51 ILE CG1 C 27.000 0.000 . 488 51 51 ILE CG2 C 16.996 0.000 . 489 51 51 ILE CD1 C 13.158 0.000 . 490 51 51 ILE N N 125.001 0.000 . 491 52 52 VAL H H 8.892 0.000 . 492 52 52 VAL HA H 5.285 0.005 . 493 52 52 VAL HB H 1.728 0.000 . 494 52 52 VAL HG1 H 0.944 0.000 . 495 52 52 VAL HG2 H 0.734 0.010 . 496 52 52 VAL CA C 59.904 0.000 . 497 52 52 VAL CB C 34.146 0.000 . 498 52 52 VAL CG1 C 22.410 0.000 . 499 52 52 VAL CG2 C 23.043 0.000 . 500 52 52 VAL N N 128.811 0.000 . 501 53 53 THR H H 9.104 0.003 . 502 53 53 THR HA H 5.142 0.009 . 503 53 53 THR HB H 3.827 0.006 . 504 53 53 THR HG2 H 0.955 0.017 . 505 53 53 THR CA C 60.155 0.000 . 506 53 53 THR CB C 71.649 0.000 . 507 53 53 THR CG2 C 21.283 0.000 . 508 53 53 THR N N 119.869 0.000 . 509 54 54 LEU H H 8.838 0.002 . 510 54 54 LEU HA H 4.937 0.021 . 511 54 54 LEU HB2 H 1.691 0.000 . 512 54 54 LEU HB3 H 1.173 0.004 . 513 54 54 LEU HG H 1.588 0.030 . 514 54 54 LEU HD1 H 0.957 0.002 . 515 54 54 LEU HD2 H 0.727 0.010 . 516 54 54 LEU CA C 53.526 0.000 . 517 54 54 LEU CB C 45.229 0.000 . 518 54 54 LEU CG C 27.629 0.000 . 519 54 54 LEU CD1 C 23.375 0.000 . 520 54 54 LEU CD2 C 27.472 0.000 . 521 54 54 LEU N N 124.338 0.000 . 522 55 55 ASN H H 10.239 0.005 . 523 55 55 ASN HA H 4.470 0.010 . 524 55 55 ASN HB2 H 3.092 0.023 . 525 55 55 ASN HD21 H 7.690 0.013 . 526 55 55 ASN HD22 H 6.943 0.008 . 527 55 55 ASN CA C 54.278 0.000 . 528 55 55 ASN CB C 37.097 0.000 . 529 55 55 ASN N N 127.186 0.000 . 530 55 55 ASN ND2 N 114.181 0.000 . 531 56 56 GLY H H 8.837 0.001 . 532 56 56 GLY HA2 H 4.243 0.034 . 533 56 56 GLY HA3 H 3.589 0.005 . 534 56 56 GLY CA C 45.165 0.000 . 535 56 56 GLY N N 128.811 0.000 . 536 57 57 LYS H H 7.923 0.001 . 537 57 57 LYS HA H 4.763 0.014 . 538 57 57 LYS HB2 H 2.056 0.008 . 539 57 57 LYS HG2 H 1.842 0.000 . 540 57 57 LYS HD2 H 1.661 0.000 . 541 57 57 LYS HD3 H 1.609 0.000 . 542 57 57 LYS HE2 H 3.069 0.000 . 543 57 57 LYS CA C 54.727 0.000 . 544 57 57 LYS CB C 34.837 0.000 . 545 57 57 LYS CG C 29.440 0.000 . 546 57 57 LYS CD C 24.926 0.000 . 547 57 57 LYS CE C 42.233 0.000 . 548 57 57 LYS N N 121.900 0.000 . 549 58 58 ARG H H 8.654 0.000 . 550 58 58 ARG HA H 4.623 0.023 . 551 58 58 ARG HB2 H 1.752 0.000 . 552 58 58 ARG HG2 H 1.685 0.000 . 553 58 58 ARG HG3 H 1.597 0.000 . 554 58 58 ARG HD2 H 3.186 0.009 . 555 58 58 ARG CA C 55.985 0.000 . 556 58 58 ARG CB C 31.002 0.000 . 557 58 58 ARG CG C 27.472 0.000 . 558 58 58 ARG CD C 43.544 0.000 . 559 58 58 ARG N N 123.931 0.000 . 560 59 59 LEU H H 8.685 0.002 . 561 59 59 LEU HA H 3.883 0.000 . 562 59 59 LEU HB2 H 1.422 0.012 . 563 59 59 LEU HB3 H 1.219 0.016 . 564 59 59 LEU HG H 1.275 0.000 . 565 59 59 LEU HD1 H 0.481 0.009 . 566 59 59 LEU HD2 H 0.079 0.004 . 567 59 59 LEU CA C 55.902 0.000 . 568 59 59 LEU CB C 41.226 0.000 . 569 59 59 LEU CG C 27.472 0.000 . 570 59 59 LEU CD1 C 25.248 0.000 . 571 59 59 LEU CD2 C 21.767 0.000 . 572 59 59 LEU N N 124.176 0.000 . 573 60 60 GLU H H 8.048 0.007 . 574 60 60 GLU HA H 4.549 0.016 . 575 60 60 GLU HB2 H 2.153 0.018 . 576 60 60 GLU HB3 H 1.884 0.014 . 577 60 60 GLU HG2 H 2.473 0.000 . 578 60 60 GLU HG3 H 2.292 0.000 . 579 60 60 GLU CA C 55.027 0.000 . 580 60 60 GLU CB C 32.489 0.000 . 581 60 60 GLU CG C 36.122 0.000 . 582 60 60 GLU N N 124.714 0.000 . 583 61 61 ASP H H 8.523 0.006 . 584 61 61 ASP HA H 4.310 0.013 . 585 61 61 ASP HB2 H 2.624 0.044 . 586 61 61 ASP HB3 H 2.604 0.000 . 587 61 61 ASP CA C 56.502 0.000 . 588 61 61 ASP CB C 40.580 0.000 . 589 61 61 ASP N N 122.581 0.000 . 590 62 62 GLY H H 8.046 0.000 . 591 62 62 GLY HA2 H 4.398 0.000 . 592 62 62 GLY HA3 H 3.790 0.000 . 593 62 62 GLY CA C 45.002 0.000 . 594 63 63 LYS H H 7.482 0.005 . 595 63 63 LYS HA H 4.785 0.011 . 596 63 63 LYS HB2 H 2.455 0.029 . 597 63 63 LYS HB3 H 2.409 0.000 . 598 63 63 LYS HG2 H 1.683 0.003 . 599 63 63 LYS HD2 H 1.381 0.006 . 600 63 63 LYS HE2 H 2.977 0.015 . 601 63 63 LYS CA C 54.899 0.000 . 602 63 63 LYS CB C 33.765 0.000 . 603 63 63 LYS CG C 27.964 0.000 . 604 63 63 LYS CD C 25.872 0.000 . 605 63 63 LYS CE C 42.725 0.000 . 606 63 63 LYS N N 119.056 0.000 . 607 64 64 MET H H 9.186 0.003 . 608 64 64 MET HA H 5.259 0.008 . 609 64 64 MET HB2 H 2.269 0.021 . 610 64 64 MET HB3 H 2.031 0.006 . 611 64 64 MET HG2 H 2.770 0.006 . 612 64 64 MET HG3 H 2.616 0.007 . 613 64 64 MET HE H 2.115 0.000 . 614 64 64 MET CA C 53.085 0.000 . 615 64 64 MET CB C 33.712 0.000 . 616 64 64 MET CG C 32.392 0.000 . 617 64 64 MET CE C 9.697 0.000 . 618 64 64 MET N N 118.878 0.000 . 619 65 65 MET H H 8.797 0.006 . 620 65 65 MET HA H 4.774 0.015 . 621 65 65 MET HB2 H 2.432 0.016 . 622 65 65 MET HB3 H 1.793 0.023 . 623 65 65 MET HG2 H 2.508 0.000 . 624 65 65 MET HG3 H 2.338 0.000 . 625 65 65 MET HE H 1.801 0.015 . 626 65 65 MET CA C 57.313 0.000 . 627 65 65 MET CB C 29.561 0.000 . 628 65 65 MET CG C 33.444 0.000 . 629 65 65 MET CE C 9.787 0.000 . 630 65 65 MET N N 119.463 0.000 . 631 66 66 ALA H H 8.877 0.000 . 632 66 66 ALA HA H 4.199 0.005 . 633 66 66 ALA HB H 1.470 0.002 . 634 66 66 ALA CA C 54.512 0.000 . 635 66 66 ALA CB C 18.940 0.000 . 636 66 66 ALA N N 120.807 0.000 . 637 67 67 ASP H H 7.803 0.000 . 638 67 67 ASP HA H 4.386 0.000 . 639 67 67 ASP HB2 H 2.788 0.000 . 640 67 67 ASP HB3 H 2.406 0.011 . 641 67 67 ASP CA C 56.501 0.000 . 642 67 67 ASP CB C 40.378 0.000 . 643 67 67 ASP N N 117.025 0.000 . 644 68 68 TYR H H 7.734 0.001 . 645 68 68 TYR HA H 4.411 0.003 . 646 68 68 TYR HB2 H 3.352 0.023 . 647 68 68 TYR HB3 H 2.731 0.014 . 648 68 68 TYR HD1 H 7.251 0.012 . 649 68 68 TYR HD2 H 7.251 0.012 . 650 68 68 TYR HE1 H 6.725 0.010 . 651 68 68 TYR HE2 H 6.725 0.010 . 652 68 68 TYR CA C 58.382 0.000 . 653 68 68 TYR CB C 39.444 0.000 . 654 68 68 TYR N N 116.619 0.000 . 655 69 69 GLY H H 7.778 0.000 . 656 69 69 GLY HA2 H 4.000 0.026 . 657 69 69 GLY HA3 H 3.895 0.013 . 658 69 69 GLY CA C 47.170 0.000 . 659 69 69 GLY N N 108.412 0.000 . 660 70 70 ILE H H 6.702 0.006 . 661 70 70 ILE HA H 4.181 0.016 . 662 70 70 ILE HB H 1.621 0.000 . 663 70 70 ILE HG12 H 1.482 0.000 . 664 70 70 ILE HG13 H 1.002 0.021 . 665 70 70 ILE HG2 H 0.893 0.017 . 666 70 70 ILE HD1 H 0.724 0.009 . 667 70 70 ILE CA C 61.599 0.000 . 668 70 70 ILE CB C 39.711 0.000 . 669 70 70 ILE CG1 C 26.980 0.000 . 670 70 70 ILE CG2 C 18.418 0.000 . 671 70 70 ILE CD1 C 15.171 0.000 . 672 70 70 ILE N N 112.871 0.000 . 673 71 71 ARG H H 7.973 0.011 . 674 71 71 ARG HA H 4.497 0.000 . 675 71 71 ARG HB2 H 1.944 0.043 . 676 71 71 ARG HB3 H 1.696 0.000 . 677 71 71 ARG HG2 H 1.759 0.000 . 678 71 71 ARG HD2 H 3.282 0.016 . 679 71 71 ARG CA C 53.885 0.000 . 680 71 71 ARG CB C 34.060 0.000 . 681 71 71 ARG CG C 26.722 0.000 . 682 71 71 ARG CD C 43.495 0.000 . 683 71 71 ARG N N 122.718 0.000 . 684 72 72 LYS H H 8.524 0.001 . 685 72 72 LYS HA H 3.851 0.004 . 686 72 72 LYS HB2 H 1.870 0.000 . 687 72 72 LYS HB3 H 1.881 0.000 . 688 72 72 LYS HG2 H 1.793 0.000 . 689 72 72 LYS HD2 H 1.597 0.000 . 690 72 72 LYS HD3 H 1.485 0.000 . 691 72 72 LYS HE2 H 3.058 0.000 . 692 72 72 LYS CA C 58.329 0.000 . 693 72 72 LYS CB C 32.660 0.000 . 694 72 72 LYS CG C 29.932 0.000 . 695 72 72 LYS CD C 24.926 0.000 . 696 72 72 LYS CE C 42.233 0.000 . 697 72 72 LYS N N 119.463 0.000 . 698 73 73 GLY H H 9.210 0.000 . 699 73 73 GLY HA2 H 4.326 0.025 . 700 73 73 GLY HA3 H 3.639 0.010 . 701 73 73 GLY CA C 45.323 0.000 . 702 73 73 GLY N N 112.963 0.000 . 703 74 74 ASN H H 7.722 0.003 . 704 74 74 ASN HA H 4.655 0.001 . 705 74 74 ASN HB2 H 2.824 0.030 . 706 74 74 ASN HB3 H 2.728 0.021 . 707 74 74 ASN HD21 H 7.537 0.008 . 708 74 74 ASN HD22 H 7.133 0.010 . 709 74 74 ASN CA C 54.270 0.000 . 710 74 74 ASN CB C 41.379 0.000 . 711 74 74 ASN N N 117.273 0.000 . 712 74 74 ASN ND2 N 109.465 0.199 . 713 75 75 LEU H H 8.285 0.002 . 714 75 75 LEU HA H 5.035 0.005 . 715 75 75 LEU HB2 H 1.695 0.000 . 716 75 75 LEU HB3 H 0.929 0.044 . 717 75 75 LEU HG H 1.770 0.000 . 718 75 75 LEU HD1 H 1.050 0.000 . 719 75 75 LEU HD2 H 0.871 0.006 . 720 75 75 LEU CA C 53.618 0.000 . 721 75 75 LEU CB C 43.597 0.000 . 722 75 75 LEU CG C 27.599 0.000 . 723 75 75 LEU CD1 C 25.743 0.000 . 724 75 75 LEU CD2 C 24.885 0.000 . 725 75 75 LEU N N 118.584 0.000 . 726 76 76 LEU H H 9.036 0.003 . 727 76 76 LEU HA H 5.030 0.000 . 728 76 76 LEU HB2 H 1.667 0.010 . 729 76 76 LEU HB3 H 1.133 0.015 . 730 76 76 LEU HG H 1.578 0.011 . 731 76 76 LEU HD1 H 0.668 0.025 . 732 76 76 LEU CA C 52.950 0.000 . 733 76 76 LEU CB C 43.889 0.000 . 734 76 76 LEU CG C 26.933 0.000 . 735 76 76 LEU CD1 C 26.028 0.000 . 736 76 76 LEU N N 123.525 0.000 . 737 77 77 PHE H H 8.919 0.003 . 738 77 77 PHE HA H 5.038 0.000 . 739 77 77 PHE HB2 H 2.968 0.001 . 740 77 77 PHE HB3 H 3.006 0.000 . 741 77 77 PHE HD1 H 7.221 0.008 . 742 77 77 PHE HD2 H 7.221 0.008 . 743 77 77 PHE HE1 H 7.378 0.000 . 744 77 77 PHE HE2 H 7.378 0.000 . 745 77 77 PHE CA C 58.154 0.000 . 746 77 77 PHE CB C 40.476 0.000 . 747 77 77 PHE N N 122.306 0.000 . 748 78 78 LEU H H 8.602 0.000 . 749 78 78 LEU HA H 5.104 0.021 . 750 78 78 LEU HB2 H 1.901 0.004 . 751 78 78 LEU HB3 H 1.272 0.019 . 752 78 78 LEU HG H 0.812 0.060 . 753 78 78 LEU HD1 H 0.884 0.028 . 754 78 78 LEU CA C 54.151 0.000 . 755 78 78 LEU CB C 45.255 0.000 . 756 78 78 LEU CG C 27.084 0.000 . 757 78 78 LEU CD1 C 24.771 0.000 . 758 78 78 LEU N N 125.556 0.000 . 759 79 79 ALA H H 8.988 0.003 . 760 79 79 ALA HA H 4.617 0.035 . 761 79 79 ALA HB H 1.435 0.012 . 762 79 79 ALA CA C 51.142 0.000 . 763 79 79 ALA CB C 21.283 0.000 . 764 79 79 ALA N N 130.431 0.000 . 765 80 80 SER H H 8.354 0.003 . 766 80 80 SER HA H 4.815 0.021 . 767 80 80 SER HB2 H 3.796 0.005 . 768 80 80 SER HB3 H 3.820 0.000 . 769 80 80 SER CA C 58.043 0.000 . 770 80 80 SER CB C 64.675 0.000 . 771 80 80 SER N N 113.775 0.000 . 772 81 81 TYR H H 8.434 0.000 . 773 81 81 TYR HA H 4.629 0.000 . 774 81 81 TYR HB2 H 3.011 0.019 . 775 81 81 TYR HD1 H 7.089 0.000 . 776 81 81 TYR HD2 H 7.089 0.000 . 777 81 81 TYR HE1 H 6.797 0.000 . 778 81 81 TYR HE2 H 6.797 0.000 . 779 81 81 TYR CA C 58.215 0.000 . 780 81 81 TYR CB C 39.406 0.000 . 781 81 81 TYR N N 122.617 0.000 . 782 82 82 SER H H 8.202 0.000 . 783 82 82 SER HA H 4.424 0.000 . 784 82 82 SER HB2 H 3.793 0.000 . 785 82 82 SER CA C 57.540 0.000 . 786 82 82 SER CB C 64.046 0.000 . 787 82 82 SER N N 118.650 0.000 . 788 83 83 ILE H H 8.216 0.000 . 789 83 83 ILE HA H 4.182 0.000 . 790 83 83 ILE HB H 1.880 0.000 . 791 83 83 ILE HG12 H 1.251 0.000 . 792 83 83 ILE HG13 H 1.251 0.000 . 793 83 83 ILE HG2 H 0.989 0.000 . 794 83 83 ILE HD1 H 0.943 0.000 . 795 83 83 ILE CA C 61.484 0.000 . 796 83 83 ILE CB C 38.720 0.000 . 797 83 83 ILE CG1 C 26.980 0.000 . 798 83 83 ILE CG2 C 17.434 0.000 . 799 83 83 ILE CD1 C 13.082 0.000 . 800 83 83 ILE N N 122.940 0.000 . 801 84 84 GLY H H 8.441 0.004 . 802 84 84 GLY HA2 H 3.966 0.011 . 803 84 84 GLY CA C 45.445 0.000 . 804 84 84 GLY N N 113.369 0.000 . 805 85 85 GLY H H 7.915 0.000 . 806 85 85 GLY HA2 H 3.785 0.000 . 807 85 85 GLY N N 115.405 0.000 . stop_ save_