data_34073 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Trypanosoma brucei Pex14 N-terminal domain ; _BMRB_accession_number 34073 _BMRB_flat_file_name bmr34073.str _Entry_type original _Submission_date 2016-12-09 _Accession_date 2016-12-09 _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 Emmanouilidis L. . . 2 Tripsianes K. . . 3 Sattler M. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 424 "13C chemical shifts" 245 "15N chemical shifts" 68 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2017-03-01 original BMRB . stop_ _Original_release_date 2017-02-28 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Novel therapeutic routes to treat trypanosomiases by targeting glycosomal import ; _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 Dawidowski D. . . 2 Emmanouilidis L. . . 3 Kalel V. C. . 4 Tripsianes K. . . 5 Schorpp K. . . 6 Hadian K. . . 7 Kaiser M. . . 8 Maeser P. . . 9 Kolonko M. . . 10 Tanghe S. . . 11 Rodriguez A. . . 12 Schliebs W. . . 13 Erdmann R. . . 14 Sattler M. . . 15 Popowicz G. M. . stop_ _Journal_abbreviation . _Journal_volume . _Journal_issue . _Journal_CSD 0353 _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Peroxin 14' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label entity_1 $entity_1 stop_ _System_molecular_weight . _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity_1 _Molecular_mass 8021.192 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 70 _Mol_residue_sequence ; KPEVEHTHSEREKRVSNAVE FLLDSRVRRTPTSSKVHFLK SKGLSAEEICEAFTKVGQPK TLNEIKRILS ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 15 LYS 2 16 PRO 3 17 GLU 4 18 VAL 5 19 GLU 6 20 HIS 7 21 THR 8 22 HIS 9 23 SER 10 24 GLU 11 25 ARG 12 26 GLU 13 27 LYS 14 28 ARG 15 29 VAL 16 30 SER 17 31 ASN 18 32 ALA 19 33 VAL 20 34 GLU 21 35 PHE 22 36 LEU 23 37 LEU 24 38 ASP 25 39 SER 26 40 ARG 27 41 VAL 28 42 ARG 29 43 ARG 30 44 THR 31 45 PRO 32 46 THR 33 47 SER 34 48 SER 35 49 LYS 36 50 VAL 37 51 HIS 38 52 PHE 39 53 LEU 40 54 LYS 41 55 SER 42 56 LYS 43 57 GLY 44 58 LEU 45 59 SER 46 60 ALA 47 61 GLU 48 62 GLU 49 63 ILE 50 64 CYS 51 65 GLU 52 66 ALA 53 67 PHE 54 68 THR 55 69 LYS 56 70 VAL 57 71 GLY 58 72 GLN 59 73 PRO 60 74 LYS 61 75 THR 62 76 LEU 63 77 ASN 64 78 GLU 65 79 ILE 66 80 LYS 67 81 ARG 68 82 ILE 69 83 LEU 70 84 SER stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Gene_mnemonic $entity_1 'Trypanosoma brucei brucei' 5702 Eukaryota . Trypanosoma brucei PEX14 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_1 'recombinant technology' . Escherichia coli . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '1 mM [U-99% 13C; U-99% 15N] Pex14, 90% H2O/10% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1 mM '[U-99% 13C; U-99% 15N]' 'sodium phosphate' 20 mM 'natural abundance' NaCl 50 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name CNS _Version . loop_ _Vendor _Address _Electronic_address 'Brunger A. T. et.al.' . . stop_ loop_ _Task refinement stop_ _Details . save_ save_software_2 _Saveframe_category software _Name CYANA _Version . loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure calculation' stop_ _Details . save_ save_software_3 _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_software_4 _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_software_5 _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 500 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 900 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_HNCA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _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_3D_1H-15N_NOESY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aromatic_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 50 . mM pH 6.5 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.000 internal indirect . . . 0.25144953 DSS H 1 'methyl protons' ppm 0.000 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.000 internal indirect . . . 0.10132912 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D HCCH-TOCSY' '3D HNCA' '3D HNCACB' '3D 1H-13C NOESY' '3D 1H-15N NOESY' '3D 1H-13C NOESY aromatic' '3D CBCA(CO)NH' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chem_shift_reference_1 _Mol_system_component_name entity_1 _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 15 1 LYS H H 8.328 0.019 1 2 15 1 LYS HA H 4.641 0.020 1 3 15 1 LYS HB2 H 1.851 0.020 2 4 15 1 LYS HB3 H 1.736 0.020 2 5 15 1 LYS HG2 H 1.492 0.020 2 6 15 1 LYS HG3 H 1.448 0.020 2 7 15 1 LYS CA C 54.317 0.200 1 8 15 1 LYS CB C 32.543 0.022 1 9 15 1 LYS CG C 24.624 0.052 1 10 15 1 LYS N N 124.192 0.204 1 11 16 2 PRO HA H 4.418 0.020 1 12 16 2 PRO HB2 H 2.300 0.022 2 13 16 2 PRO HB3 H 1.894 0.005 2 14 16 2 PRO HG2 H 2.027 0.004 1 15 16 2 PRO HG3 H 2.027 0.004 1 16 16 2 PRO HD2 H 3.816 0.020 2 17 16 2 PRO HD3 H 3.675 0.020 2 18 16 2 PRO CA C 63.324 0.004 1 19 16 2 PRO CB C 32.109 0.047 1 20 16 2 PRO CG C 27.429 0.034 1 21 16 2 PRO CD C 50.655 0.012 1 22 17 3 GLU H H 8.583 0.020 1 23 17 3 GLU HA H 4.274 0.020 1 24 17 3 GLU HB2 H 2.027 0.020 2 25 17 3 GLU HB3 H 1.949 0.020 2 26 17 3 GLU HG2 H 2.298 0.020 1 27 17 3 GLU HG3 H 2.298 0.020 1 28 17 3 GLU CA C 56.829 0.025 1 29 17 3 GLU CB C 30.307 0.067 1 30 17 3 GLU CG C 36.409 0.200 1 31 17 3 GLU N N 121.368 0.092 1 32 18 4 VAL H H 8.128 0.002 1 33 18 4 VAL HA H 4.084 0.020 1 34 18 4 VAL HB H 2.050 0.020 1 35 18 4 VAL HG1 H 0.913 0.020 1 36 18 4 VAL HG2 H 0.913 0.020 1 37 18 4 VAL CA C 62.383 0.038 1 38 18 4 VAL CB C 32.853 0.058 1 39 18 4 VAL CG1 C 20.703 0.112 2 40 18 4 VAL CG2 C 21.096 0.200 2 41 18 4 VAL N N 120.792 0.174 1 42 19 5 GLU H H 8.429 0.020 1 43 19 5 GLU HA H 4.242 0.020 1 44 19 5 GLU HB2 H 1.925 0.020 2 45 19 5 GLU HB3 H 1.975 0.020 2 46 19 5 GLU HG2 H 2.182 0.012 2 47 19 5 GLU HG3 H 2.254 0.020 2 48 19 5 GLU CA C 56.794 0.048 1 49 19 5 GLU CB C 30.359 0.067 1 50 19 5 GLU CG C 36.312 0.066 1 51 19 5 GLU N N 124.178 0.045 1 52 20 6 HIS HA H 4.721 0.008 1 53 20 6 HIS HB2 H 3.190 0.020 2 54 20 6 HIS HB3 H 3.132 0.005 2 55 20 6 HIS HD2 H 7.114 0.004 1 56 20 6 HIS CB C 30.191 0.052 1 57 20 6 HIS CD2 C 119.843 0.200 1 58 21 7 THR H H 8.200 0.003 1 59 21 7 THR HA H 4.234 0.020 1 60 21 7 THR HB H 4.197 0.020 1 61 21 7 THR HG2 H 1.174 0.020 1 62 21 7 THR CA C 62.615 0.008 1 63 21 7 THR CB C 69.733 0.200 1 64 21 7 THR CG2 C 21.668 0.200 1 65 21 7 THR N N 115.310 0.003 1 66 22 8 HIS HA H 4.692 0.020 1 67 22 8 HIS HB2 H 3.235 0.005 2 68 22 8 HIS HB3 H 3.132 0.005 2 69 22 8 HIS HD2 H 7.131 0.001 1 70 22 8 HIS CB C 30.292 0.041 1 71 22 8 HIS CD2 C 119.630 0.102 1 72 23 9 SER H H 8.502 0.017 1 73 23 9 SER HA H 4.427 0.002 1 74 23 9 SER HB2 H 4.114 0.002 2 75 23 9 SER HB3 H 3.973 0.020 2 76 23 9 SER CA C 59.102 0.032 1 77 23 9 SER CB C 63.944 0.048 1 78 23 9 SER N N 117.154 0.076 1 79 24 10 GLU H H 8.640 0.020 1 80 24 10 GLU HA H 4.132 0.003 1 81 24 10 GLU HB2 H 2.127 0.009 2 82 24 10 GLU HB3 H 2.071 0.003 2 83 24 10 GLU HG2 H 2.327 0.001 2 84 24 10 GLU HG3 H 2.404 0.011 2 85 24 10 GLU CA C 58.965 0.150 1 86 24 10 GLU CB C 29.366 0.062 1 87 24 10 GLU CG C 36.599 0.030 1 88 24 10 GLU N N 122.294 0.109 1 89 25 11 ARG H H 8.229 0.006 1 90 25 11 ARG HA H 3.863 0.020 1 91 25 11 ARG HB2 H 1.768 0.020 2 92 25 11 ARG HB3 H 1.881 0.020 2 93 25 11 ARG HG2 H 1.618 0.020 2 94 25 11 ARG HG3 H 1.778 0.004 2 95 25 11 ARG HD2 H 3.190 0.005 1 96 25 11 ARG HD3 H 3.190 0.005 1 97 25 11 ARG HE H 7.543 0.010 1 98 25 11 ARG CA C 59.811 0.047 1 99 25 11 ARG CB C 30.018 0.048 1 100 25 11 ARG CG C 26.703 0.092 1 101 25 11 ARG CD C 43.566 0.066 1 102 25 11 ARG N N 121.316 0.056 1 103 25 11 ARG NE N 85.919 0.106 1 104 26 12 GLU H H 8.061 0.020 1 105 26 12 GLU HA H 3.952 0.001 1 106 26 12 GLU HB2 H 2.127 0.006 2 107 26 12 GLU HB3 H 2.056 0.001 2 108 26 12 GLU HG2 H 2.277 0.004 2 109 26 12 GLU HG3 H 2.339 0.002 2 110 26 12 GLU CA C 59.383 0.044 1 111 26 12 GLU CB C 29.353 0.062 1 112 26 12 GLU CG C 36.683 0.029 1 113 26 12 GLU N N 117.739 0.021 1 114 27 13 LYS H H 7.852 0.002 1 115 27 13 LYS HA H 4.089 0.020 1 116 27 13 LYS HB2 H 1.904 0.020 1 117 27 13 LYS HB3 H 1.904 0.020 1 118 27 13 LYS HG2 H 1.553 0.020 2 119 27 13 LYS HG3 H 1.425 0.020 2 120 27 13 LYS HD2 H 1.677 0.020 1 121 27 13 LYS HD3 H 1.677 0.020 1 122 27 13 LYS HE2 H 2.953 0.014 1 123 27 13 LYS HE3 H 2.953 0.014 1 124 27 13 LYS CA C 59.297 0.133 1 125 27 13 LYS CB C 32.264 0.050 1 126 27 13 LYS CG C 24.897 0.148 1 127 27 13 LYS CD C 29.270 0.200 1 128 27 13 LYS N N 120.215 0.029 1 129 28 14 ARG H H 8.006 0.016 1 130 28 14 ARG HA H 4.078 0.020 1 131 28 14 ARG HB2 H 2.160 0.020 2 132 28 14 ARG HB3 H 1.556 0.020 2 133 28 14 ARG HG2 H 1.906 0.020 2 134 28 14 ARG HG3 H 1.496 0.001 2 135 28 14 ARG HD2 H 3.377 0.020 2 136 28 14 ARG HD3 H 2.822 0.020 2 137 28 14 ARG HE H 8.793 0.013 1 138 28 14 ARG CA C 60.677 0.183 1 139 28 14 ARG CB C 30.872 0.036 1 140 28 14 ARG CG C 29.169 0.070 1 141 28 14 ARG CD C 43.802 0.074 1 142 28 14 ARG N N 119.623 0.046 1 143 28 14 ARG NE N 83.653 0.070 1 144 29 15 VAL H H 8.449 0.002 1 145 29 15 VAL HA H 3.490 0.001 1 146 29 15 VAL HB H 2.103 0.004 1 147 29 15 VAL HG1 H 0.877 0.020 2 148 29 15 VAL HG2 H 1.056 0.020 2 149 29 15 VAL CA C 67.559 0.028 1 150 29 15 VAL CB C 31.657 0.032 1 151 29 15 VAL CG1 C 21.130 0.025 2 152 29 15 VAL CG2 C 22.742 0.007 2 153 29 15 VAL N N 119.400 0.044 1 154 30 16 SER H H 8.579 0.011 1 155 30 16 SER HA H 4.122 0.020 1 156 30 16 SER HB2 H 3.979 0.001 2 157 30 16 SER HB3 H 4.014 0.001 2 158 30 16 SER CA C 62.454 0.074 1 159 30 16 SER CB C 62.536 0.083 1 160 30 16 SER N N 116.107 0.008 1 161 31 17 ASN H H 8.390 0.016 1 162 31 17 ASN HA H 4.532 0.020 1 163 31 17 ASN HB2 H 3.038 0.003 2 164 31 17 ASN HB3 H 2.762 0.006 2 165 31 17 ASN HD21 H 7.660 0.020 1 166 31 17 ASN HD22 H 6.921 0.020 1 167 31 17 ASN CA C 56.049 0.023 1 168 31 17 ASN CB C 38.343 0.136 1 169 31 17 ASN N N 120.744 0.049 1 170 31 17 ASN ND2 N 111.802 0.026 1 171 32 18 ALA H H 8.095 0.020 1 172 32 18 ALA HA H 4.150 0.020 1 173 32 18 ALA HB H 1.560 0.020 1 174 32 18 ALA CA C 55.068 0.016 1 175 32 18 ALA CB C 20.574 0.012 1 176 32 18 ALA N N 124.680 0.085 1 177 33 19 VAL H H 8.481 0.002 1 178 33 19 VAL HA H 3.331 0.002 1 179 33 19 VAL HB H 2.299 0.020 1 180 33 19 VAL HG1 H 0.867 0.020 2 181 33 19 VAL HG2 H 1.127 0.020 2 182 33 19 VAL CA C 67.249 0.068 1 183 33 19 VAL CB C 31.773 0.051 1 184 33 19 VAL CG1 C 20.928 0.121 2 185 33 19 VAL CG2 C 24.090 0.025 2 186 33 19 VAL N N 120.113 0.037 1 187 34 20 GLU H H 7.442 0.006 1 188 34 20 GLU HA H 3.875 0.020 1 189 34 20 GLU HB2 H 2.146 0.020 1 190 34 20 GLU HB3 H 2.146 0.020 1 191 34 20 GLU HG2 H 2.454 0.020 2 192 34 20 GLU HG3 H 2.290 0.020 2 193 34 20 GLU CA C 59.700 0.184 1 194 34 20 GLU CB C 29.537 0.047 1 195 34 20 GLU CG C 36.521 0.206 1 196 34 20 GLU N N 116.204 0.039 1 197 35 21 PHE H H 7.637 0.021 1 198 35 21 PHE HA H 4.371 0.020 1 199 35 21 PHE HB2 H 3.346 0.020 1 200 35 21 PHE HB3 H 3.346 0.020 1 201 35 21 PHE HD1 H 7.117 0.005 3 202 35 21 PHE HD2 H 7.117 0.005 3 203 35 21 PHE HE1 H 6.905 0.020 3 204 35 21 PHE HE2 H 6.905 0.020 3 205 35 21 PHE HZ H 7.129 0.020 1 206 35 21 PHE CA C 60.876 0.031 1 207 35 21 PHE CB C 38.848 0.004 1 208 35 21 PHE CD1 C 132.196 0.120 3 209 35 21 PHE CD2 C 132.196 0.120 3 210 35 21 PHE CE1 C 130.796 0.200 3 211 35 21 PHE CE2 C 130.796 0.200 3 212 35 21 PHE CZ C 130.950 0.200 1 213 35 21 PHE N N 119.710 0.045 1 214 36 22 LEU H H 8.296 0.001 1 215 36 22 LEU HA H 3.546 0.020 1 216 36 22 LEU HB2 H 1.868 0.020 2 217 36 22 LEU HB3 H 1.146 0.020 2 218 36 22 LEU HG H 1.993 0.020 1 219 36 22 LEU HD1 H 0.016 0.020 2 220 36 22 LEU HD2 H 0.576 0.020 2 221 36 22 LEU CA C 56.784 0.019 1 222 36 22 LEU CB C 42.538 0.020 1 223 36 22 LEU CG C 26.408 0.059 1 224 36 22 LEU CD1 C 24.864 0.027 2 225 36 22 LEU CD2 C 23.109 0.064 2 226 36 22 LEU N N 116.293 0.061 1 227 37 23 LEU H H 7.683 0.020 1 228 37 23 LEU HA H 4.134 0.020 1 229 37 23 LEU HB2 H 1.756 0.020 2 230 37 23 LEU HB3 H 1.523 0.020 2 231 37 23 LEU HG H 1.822 0.020 1 232 37 23 LEU HD1 H 0.799 0.010 2 233 37 23 LEU HD2 H 0.826 0.002 2 234 37 23 LEU CA C 55.042 0.028 1 235 37 23 LEU CB C 42.889 0.036 1 236 37 23 LEU CG C 26.113 0.117 1 237 37 23 LEU CD1 C 25.839 0.120 2 238 37 23 LEU CD2 C 22.689 0.052 2 239 37 23 LEU N N 116.181 0.071 1 240 38 24 ASP H H 7.372 0.020 1 241 38 24 ASP HA H 4.348 0.006 1 242 38 24 ASP HB2 H 2.825 0.020 2 243 38 24 ASP HB3 H 2.754 0.020 2 244 38 24 ASP CA C 55.309 0.055 1 245 38 24 ASP CB C 42.477 0.017 1 246 38 24 ASP N N 122.994 0.061 1 247 39 25 SER H H 8.905 0.029 1 248 39 25 SER HA H 3.951 0.020 1 249 39 25 SER HB2 H 3.928 0.003 1 250 39 25 SER HB3 H 3.928 0.003 1 251 39 25 SER CA C 61.971 0.004 1 252 39 25 SER CB C 62.916 0.074 1 253 39 25 SER N N 123.139 0.224 1 254 40 26 ARG H H 8.663 0.009 1 255 40 26 ARG HA H 4.163 0.020 1 256 40 26 ARG HB2 H 1.871 0.010 2 257 40 26 ARG HB3 H 1.835 0.002 2 258 40 26 ARG HG2 H 1.707 0.020 2 259 40 26 ARG HG3 H 1.685 0.020 2 260 40 26 ARG HD2 H 3.183 0.020 1 261 40 26 ARG HD3 H 3.183 0.020 1 262 40 26 ARG CA C 58.317 0.007 1 263 40 26 ARG CB C 30.048 0.120 1 264 40 26 ARG CG C 27.285 0.031 1 265 40 26 ARG N N 121.106 0.029 1 266 41 27 VAL H H 7.698 0.020 1 267 41 27 VAL HA H 3.863 0.020 1 268 41 27 VAL HB H 2.021 0.020 1 269 41 27 VAL HG1 H 0.208 0.020 2 270 41 27 VAL HG2 H 0.508 0.020 2 271 41 27 VAL CA C 63.174 0.033 1 272 41 27 VAL CB C 32.568 0.038 1 273 41 27 VAL CG1 C 21.640 0.070 2 274 41 27 VAL CG2 C 21.243 0.016 2 275 41 27 VAL N N 117.951 0.125 1 276 42 28 ARG H H 8.026 0.020 1 277 42 28 ARG HA H 4.057 0.020 1 278 42 28 ARG HB2 H 1.877 0.003 2 279 42 28 ARG HB3 H 1.841 0.003 2 280 42 28 ARG HG2 H 1.678 0.020 1 281 42 28 ARG HG3 H 1.678 0.020 1 282 42 28 ARG HD2 H 3.165 0.020 1 283 42 28 ARG HD3 H 3.165 0.020 1 284 42 28 ARG CA C 59.404 0.058 1 285 42 28 ARG CB C 30.584 0.152 1 286 42 28 ARG CG C 27.076 0.031 1 287 42 28 ARG CD C 43.595 0.112 1 288 42 28 ARG N N 120.667 0.102 1 289 43 29 ARG H H 7.991 0.014 1 290 43 29 ARG HA H 4.438 0.020 1 291 43 29 ARG HB2 H 2.073 0.020 2 292 43 29 ARG HB3 H 1.781 0.020 2 293 43 29 ARG HG2 H 1.679 0.003 2 294 43 29 ARG HG3 H 1.625 0.005 2 295 43 29 ARG HD2 H 3.224 0.020 1 296 43 29 ARG HD3 H 3.224 0.020 1 297 43 29 ARG CA C 56.064 0.073 1 298 43 29 ARG CB C 29.642 0.061 1 299 43 29 ARG CG C 27.431 0.094 1 300 43 29 ARG N N 115.866 0.104 1 301 44 30 THR H H 7.758 0.020 1 302 44 30 THR HA H 4.628 0.020 1 303 44 30 THR HB H 4.309 0.020 1 304 44 30 THR HG2 H 1.388 0.020 1 305 44 30 THR CA C 61.112 0.014 1 306 44 30 THR CB C 69.676 0.025 1 307 44 30 THR CG2 C 22.304 0.013 1 308 44 30 THR N N 115.511 0.091 1 309 45 31 PRO HA H 4.639 0.010 1 310 45 31 PRO HB2 H 2.611 0.003 2 311 45 31 PRO HB3 H 2.016 0.006 2 312 45 31 PRO HG2 H 2.180 0.003 2 313 45 31 PRO HG3 H 2.131 0.005 2 314 45 31 PRO HD2 H 4.013 0.007 2 315 45 31 PRO HD3 H 3.740 0.007 2 316 45 31 PRO CA C 63.204 0.200 1 317 45 31 PRO CB C 32.844 0.027 1 318 45 31 PRO CG C 28.075 0.174 1 319 45 31 PRO CD C 51.218 0.050 1 320 46 32 THR HA H 4.190 0.020 1 321 46 32 THR HB H 3.792 0.020 1 322 46 32 THR HG2 H 0.974 0.001 1 323 46 32 THR CA C 68.269 0.235 1 324 46 32 THR CB C 68.011 0.227 1 325 46 32 THR CG2 C 22.261 0.001 1 326 47 33 SER HA H 3.962 0.002 1 327 47 33 SER HB2 H 3.989 0.020 1 328 47 33 SER HB3 H 3.989 0.020 1 329 47 33 SER CA C 62.129 0.160 1 330 47 33 SER CB C 61.839 0.200 1 331 48 34 SER H H 7.035 0.011 1 332 48 34 SER HA H 4.496 0.020 1 333 48 34 SER HB2 H 4.088 0.005 2 334 48 34 SER HB3 H 4.132 0.003 2 335 48 34 SER CA C 61.416 0.141 1 336 48 34 SER CB C 62.765 0.149 1 337 48 34 SER N N 116.320 0.036 1 338 49 35 LYS H H 7.844 0.020 1 339 49 35 LYS HA H 4.299 0.020 1 340 49 35 LYS HB2 H 2.407 0.020 2 341 49 35 LYS HB3 H 1.981 0.020 2 342 49 35 LYS HG2 H 1.756 0.020 2 343 49 35 LYS HG3 H 1.296 0.020 2 344 49 35 LYS HD2 H 1.772 0.002 2 345 49 35 LYS HD3 H 1.626 0.020 2 346 49 35 LYS HE2 H 3.148 0.010 2 347 49 35 LYS HE3 H 2.885 0.020 2 348 49 35 LYS CA C 60.503 0.040 1 349 49 35 LYS CB C 33.771 0.087 1 350 49 35 LYS CG C 26.130 0.084 1 351 49 35 LYS CD C 30.355 0.113 1 352 49 35 LYS CE C 42.551 0.186 1 353 49 35 LYS N N 122.001 0.052 1 354 50 36 VAL H H 8.559 0.006 1 355 50 36 VAL HA H 3.642 0.020 1 356 50 36 VAL HB H 2.196 0.020 1 357 50 36 VAL HG1 H 0.922 0.020 2 358 50 36 VAL HG2 H 1.127 0.020 2 359 50 36 VAL CA C 67.578 0.047 1 360 50 36 VAL CB C 31.825 0.118 1 361 50 36 VAL CG1 C 22.209 0.088 2 362 50 36 VAL CG2 C 24.565 0.014 2 363 50 36 VAL N N 118.442 0.024 1 364 51 37 HIS H H 8.316 0.020 1 365 51 37 HIS HA H 4.228 0.020 1 366 51 37 HIS HB2 H 3.231 0.020 1 367 51 37 HIS HB3 H 3.231 0.020 1 368 51 37 HIS HD2 H 7.096 0.004 1 369 51 37 HIS HE1 H 8.009 0.001 1 370 51 37 HIS CA C 60.874 0.067 1 371 51 37 HIS CB C 30.231 0.046 1 372 51 37 HIS CD2 C 119.117 0.033 1 373 51 37 HIS CE1 C 138.125 0.006 1 374 51 37 HIS N N 117.449 0.110 1 375 52 38 PHE H H 8.392 0.020 1 376 52 38 PHE HA H 4.251 0.020 1 377 52 38 PHE HB2 H 3.346 0.020 2 378 52 38 PHE HB3 H 3.057 0.020 2 379 52 38 PHE HD1 H 6.645 0.007 3 380 52 38 PHE HD2 H 6.645 0.007 3 381 52 38 PHE HE1 H 6.897 0.010 3 382 52 38 PHE HE2 H 6.897 0.010 3 383 52 38 PHE HZ H 7.095 0.004 1 384 52 38 PHE CA C 61.671 0.039 1 385 52 38 PHE CB C 38.929 0.026 1 386 52 38 PHE CD1 C 131.357 0.043 3 387 52 38 PHE CD2 C 131.357 0.043 3 388 52 38 PHE CE1 C 131.896 0.342 3 389 52 38 PHE CE2 C 131.896 0.342 3 390 52 38 PHE CZ C 129.403 0.200 1 391 52 38 PHE N N 121.166 0.041 1 392 53 39 LEU H H 8.281 0.022 1 393 53 39 LEU HA H 3.776 0.020 1 394 53 39 LEU HB2 H 2.066 0.020 2 395 53 39 LEU HB3 H 1.366 0.020 2 396 53 39 LEU HG H 2.255 0.006 1 397 53 39 LEU HD1 H 0.999 0.020 2 398 53 39 LEU HD2 H 0.851 0.020 2 399 53 39 LEU CA C 57.832 0.021 1 400 53 39 LEU CB C 41.346 0.031 1 401 53 39 LEU CG C 26.943 0.092 1 402 53 39 LEU CD1 C 26.228 0.125 2 403 53 39 LEU CD2 C 22.045 0.087 2 404 53 39 LEU N N 119.833 0.040 1 405 54 40 LYS H H 8.576 0.003 1 406 54 40 LYS HA H 4.389 0.020 1 407 54 40 LYS HB2 H 2.079 0.020 2 408 54 40 LYS HB3 H 1.748 0.020 2 409 54 40 LYS HG2 H 1.493 0.020 1 410 54 40 LYS HG3 H 1.493 0.020 1 411 54 40 LYS HE2 H 3.000 0.020 1 412 54 40 LYS HE3 H 3.000 0.020 1 413 54 40 LYS CA C 58.720 0.032 1 414 54 40 LYS CB C 31.900 0.097 1 415 54 40 LYS CG C 24.134 0.090 1 416 54 40 LYS CD C 28.875 0.200 1 417 54 40 LYS CE C 42.260 0.197 1 418 54 40 LYS N N 121.933 0.094 1 419 55 41 SER H H 8.011 0.020 1 420 55 41 SER HA H 4.297 0.005 1 421 55 41 SER HB2 H 3.954 0.001 2 422 55 41 SER HB3 H 3.978 0.004 2 423 55 41 SER CA C 61.458 0.031 1 424 55 41 SER CB C 62.611 0.058 1 425 55 41 SER N N 118.301 0.025 1 426 56 42 LYS H H 7.139 0.020 1 427 56 42 LYS HA H 4.232 0.020 1 428 56 42 LYS HB2 H 1.878 0.020 2 429 56 42 LYS HB3 H 1.695 0.020 2 430 56 42 LYS HG2 H 0.967 0.018 2 431 56 42 LYS HG3 H 0.895 0.020 2 432 56 42 LYS HD2 H 1.910 0.020 2 433 56 42 LYS HD3 H 1.586 0.020 2 434 56 42 LYS HE2 H 3.000 0.007 1 435 56 42 LYS HE3 H 3.000 0.007 1 436 56 42 LYS CA C 54.870 0.044 1 437 56 42 LYS CB C 31.288 0.031 1 438 56 42 LYS CG C 23.361 0.277 1 439 56 42 LYS CD C 28.851 0.051 1 440 56 42 LYS N N 120.235 0.028 1 441 57 43 GLY H H 7.907 0.020 1 442 57 43 GLY HA2 H 4.261 0.020 2 443 57 43 GLY HA3 H 3.700 0.020 2 444 57 43 GLY CA C 44.977 0.011 1 445 57 43 GLY N N 106.138 0.006 1 446 58 44 LEU H H 7.379 0.016 1 447 58 44 LEU HA H 4.599 0.020 1 448 58 44 LEU HB2 H 1.910 0.020 2 449 58 44 LEU HB3 H 1.230 0.020 2 450 58 44 LEU HG H 1.867 0.005 1 451 58 44 LEU HD1 H 0.896 0.020 2 452 58 44 LEU HD2 H 0.753 0.020 2 453 58 44 LEU CA C 57.494 0.042 1 454 58 44 LEU CB C 42.662 0.032 1 455 58 44 LEU CG C 31.925 0.100 1 456 58 44 LEU CD1 C 24.525 0.128 2 457 58 44 LEU CD2 C 26.973 0.028 2 458 58 44 LEU N N 121.846 0.099 1 459 59 45 SER H H 8.091 0.020 1 460 59 45 SER HA H 4.525 0.003 1 461 59 45 SER HB2 H 4.396 0.020 2 462 59 45 SER HB3 H 4.032 0.020 2 463 59 45 SER CA C 55.943 0.056 1 464 59 45 SER CB C 66.115 0.042 1 465 59 45 SER N N 115.186 0.076 1 466 60 46 ALA H H 9.145 0.020 1 467 60 46 ALA HA H 3.818 0.020 1 468 60 46 ALA HB H 1.329 0.020 1 469 60 46 ALA CA C 55.980 0.064 1 470 60 46 ALA CB C 18.163 0.012 1 471 60 46 ALA N N 122.537 0.018 1 472 61 47 GLU H H 9.248 0.006 1 473 61 47 GLU HA H 3.854 0.020 1 474 61 47 GLU HB2 H 2.112 0.020 2 475 61 47 GLU HB3 H 1.944 0.020 2 476 61 47 GLU HG2 H 2.524 0.020 2 477 61 47 GLU HG3 H 2.331 0.020 2 478 61 47 GLU CA C 61.062 0.015 1 479 61 47 GLU CB C 29.120 0.088 1 480 61 47 GLU CG C 37.587 0.054 1 481 61 47 GLU N N 116.738 0.021 1 482 62 48 GLU H H 7.706 0.002 1 483 62 48 GLU HA H 3.857 0.020 1 484 62 48 GLU HB2 H 2.311 0.020 2 485 62 48 GLU HB3 H 1.826 0.020 2 486 62 48 GLU CA C 59.377 0.141 1 487 62 48 GLU CB C 30.000 0.027 1 488 62 48 GLU CG C 37.113 0.200 1 489 62 48 GLU N N 122.184 0.031 1 490 63 49 ILE H H 8.523 0.020 1 491 63 49 ILE HA H 3.455 0.020 1 492 63 49 ILE HB H 2.085 0.020 1 493 63 49 ILE HG12 H 0.746 0.020 2 494 63 49 ILE HG13 H 2.030 0.004 2 495 63 49 ILE HG2 H 1.143 0.002 1 496 63 49 ILE HD1 H 0.727 0.007 1 497 63 49 ILE CA C 66.410 0.004 1 498 63 49 ILE CB C 38.254 0.033 1 499 63 49 ILE CG1 C 30.537 0.063 1 500 63 49 ILE CG2 C 18.861 0.010 1 501 63 49 ILE CD1 C 13.570 0.012 1 502 63 49 ILE N N 120.300 0.043 1 503 64 50 CYS H H 8.607 0.001 1 504 64 50 CYS HA H 3.957 0.020 1 505 64 50 CYS HB2 H 3.123 0.004 2 506 64 50 CYS HB3 H 2.955 0.003 2 507 64 50 CYS CA C 64.520 0.029 1 508 64 50 CYS CB C 26.805 0.037 1 509 64 50 CYS N N 118.750 0.007 1 510 65 51 GLU H H 8.123 0.020 1 511 65 51 GLU HA H 4.084 0.020 1 512 65 51 GLU HB2 H 2.206 0.020 1 513 65 51 GLU HB3 H 2.206 0.020 1 514 65 51 GLU HG2 H 2.450 0.020 2 515 65 51 GLU HG3 H 2.066 0.020 2 516 65 51 GLU CA C 60.039 0.016 1 517 65 51 GLU CB C 29.449 0.014 1 518 65 51 GLU CG C 36.469 0.045 1 519 65 51 GLU N N 122.181 0.037 1 520 66 52 ALA H H 8.259 0.020 1 521 66 52 ALA HA H 3.832 0.020 1 522 66 52 ALA HB H 1.366 0.020 1 523 66 52 ALA CA C 55.681 0.087 1 524 66 52 ALA CB C 18.397 0.028 1 525 66 52 ALA N N 122.320 0.013 1 526 67 53 PHE H H 8.180 0.015 1 527 67 53 PHE HA H 4.010 0.020 1 528 67 53 PHE HB2 H 3.824 0.020 2 529 67 53 PHE HB3 H 2.880 0.001 2 530 67 53 PHE HD1 H 7.537 0.020 3 531 67 53 PHE HD2 H 7.537 0.020 3 532 67 53 PHE HE1 H 7.170 0.003 3 533 67 53 PHE HE2 H 7.170 0.003 3 534 67 53 PHE HZ H 7.069 0.004 1 535 67 53 PHE CA C 63.121 0.033 1 536 67 53 PHE CB C 37.659 0.012 1 537 67 53 PHE CD1 C 132.225 0.286 3 538 67 53 PHE CD2 C 132.225 0.286 3 539 67 53 PHE CE1 C 130.355 0.224 3 540 67 53 PHE CE2 C 130.355 0.224 3 541 67 53 PHE CZ C 128.535 0.188 1 542 67 53 PHE N N 114.787 0.031 1 543 68 54 THR H H 8.143 0.025 1 544 68 54 THR HA H 4.486 0.020 1 545 68 54 THR HB H 3.746 0.020 1 546 68 54 THR HG2 H 1.267 0.020 1 547 68 54 THR CA C 68.694 0.078 1 548 68 54 THR CB C 68.004 0.120 1 549 68 54 THR CG2 C 21.506 0.057 1 550 68 54 THR N N 116.517 0.008 1 551 69 55 LYS H H 8.381 0.001 1 552 69 55 LYS HA H 4.080 0.016 1 553 69 55 LYS HB2 H 1.983 0.020 2 554 69 55 LYS HB3 H 1.902 0.005 2 555 69 55 LYS HG2 H 1.662 0.020 2 556 69 55 LYS HG3 H 1.494 0.020 2 557 69 55 LYS HD2 H 1.620 0.004 2 558 69 55 LYS HD3 H 1.541 0.025 2 559 69 55 LYS HE2 H 2.984 0.008 1 560 69 55 LYS HE3 H 2.984 0.008 1 561 69 55 LYS CA C 59.665 0.014 1 562 69 55 LYS CB C 32.849 0.065 1 563 69 55 LYS CG C 26.466 0.074 1 564 69 55 LYS CD C 29.173 0.065 1 565 69 55 LYS CE C 42.089 0.200 1 566 69 55 LYS N N 123.373 0.033 1 567 70 56 VAL H H 7.466 0.005 1 568 70 56 VAL HA H 4.505 0.020 1 569 70 56 VAL HB H 2.468 0.001 1 570 70 56 VAL HG1 H 1.024 0.020 2 571 70 56 VAL HG2 H 0.997 0.020 2 572 70 56 VAL CA C 61.260 0.040 1 573 70 56 VAL CB C 31.404 0.029 1 574 70 56 VAL CG1 C 22.846 0.027 2 575 70 56 VAL CG2 C 20.323 0.030 2 576 70 56 VAL N N 110.187 0.063 1 577 71 57 GLY H H 7.861 0.009 1 578 71 57 GLY HA2 H 4.226 0.020 2 579 71 57 GLY HA3 H 3.912 0.020 2 580 71 57 GLY CA C 45.707 0.013 1 581 71 57 GLY N N 109.025 0.037 1 582 72 58 GLN H H 8.036 0.004 1 583 72 58 GLN HA H 4.862 0.020 1 584 72 58 GLN HB2 H 2.201 0.004 2 585 72 58 GLN HB3 H 1.910 0.020 2 586 72 58 GLN HG2 H 2.374 0.006 2 587 72 58 GLN HG3 H 2.259 0.020 2 588 72 58 GLN HE21 H 7.538 0.020 1 589 72 58 GLN HE22 H 6.722 0.020 1 590 72 58 GLN CA C 52.644 0.057 1 591 72 58 GLN CB C 30.043 0.080 1 592 72 58 GLN CG C 33.166 0.098 1 593 72 58 GLN N N 119.303 0.060 1 594 72 58 GLN NE2 N 111.051 0.015 1 595 73 59 PRO HA H 4.068 0.020 1 596 73 59 PRO HB2 H 2.223 0.005 2 597 73 59 PRO HB3 H 1.889 0.007 2 598 73 59 PRO HG2 H 2.032 0.006 2 599 73 59 PRO HG3 H 1.989 0.001 2 600 73 59 PRO HD2 H 3.595 0.004 2 601 73 59 PRO HD3 H 3.405 0.015 2 602 73 59 PRO CA C 63.981 0.036 1 603 73 59 PRO CB C 32.180 0.075 1 604 73 59 PRO CG C 27.893 0.083 1 605 73 59 PRO CD C 50.219 0.116 1 606 74 60 LYS H H 7.996 0.020 1 607 74 60 LYS HA H 4.683 0.005 1 608 74 60 LYS HB2 H 1.445 0.020 2 609 74 60 LYS HB3 H 1.274 0.020 2 610 74 60 LYS HG2 H 1.196 0.007 2 611 74 60 LYS HG3 H 0.418 0.004 2 612 74 60 LYS HD2 H 1.457 0.003 2 613 74 60 LYS HD3 H 1.045 0.003 2 614 74 60 LYS HE2 H 2.623 0.003 2 615 74 60 LYS HE3 H 2.383 0.002 2 616 74 60 LYS CA C 52.770 0.008 1 617 74 60 LYS CB C 36.107 0.031 1 618 74 60 LYS CG C 23.598 0.093 1 619 74 60 LYS CD C 27.841 0.032 1 620 74 60 LYS CE C 42.282 0.032 1 621 74 60 LYS N N 121.113 0.067 1 622 75 61 THR H H 9.007 0.012 1 623 75 61 THR HA H 4.345 0.020 1 624 75 61 THR HB H 4.618 0.020 1 625 75 61 THR HG2 H 1.317 0.020 1 626 75 61 THR CA C 60.895 0.037 1 627 75 61 THR CB C 70.656 0.184 1 628 75 61 THR CG2 C 22.035 0.200 1 629 75 61 THR N N 113.675 0.118 1 630 76 62 LEU H H 8.831 0.020 1 631 76 62 LEU HA H 3.971 0.020 1 632 76 62 LEU HB2 H 1.728 0.020 1 633 76 62 LEU HB3 H 1.728 0.020 1 634 76 62 LEU HG H 1.579 0.020 1 635 76 62 LEU HD1 H 0.901 0.004 2 636 76 62 LEU HD2 H 0.945 0.020 2 637 76 62 LEU CA C 58.187 0.045 1 638 76 62 LEU CB C 41.295 0.011 1 639 76 62 LEU CG C 27.058 0.043 1 640 76 62 LEU CD1 C 24.144 0.132 2 641 76 62 LEU CD2 C 25.433 0.104 2 642 76 62 LEU N N 123.644 0.125 1 643 77 63 ASN H H 8.447 0.004 1 644 77 63 ASN HA H 4.322 0.020 1 645 77 63 ASN HB2 H 2.740 0.020 2 646 77 63 ASN HB3 H 2.692 0.007 2 647 77 63 ASN HD21 H 7.695 0.020 1 648 77 63 ASN HD22 H 7.001 0.020 1 649 77 63 ASN CA C 56.333 0.009 1 650 77 63 ASN CB C 38.027 0.029 1 651 77 63 ASN N N 114.808 0.010 1 652 77 63 ASN ND2 N 112.900 0.048 1 653 78 64 GLU H H 7.945 0.029 1 654 78 64 GLU HA H 4.032 0.024 1 655 78 64 GLU HB2 H 2.183 0.020 2 656 78 64 GLU HB3 H 1.900 0.020 2 657 78 64 GLU HG2 H 2.178 0.004 2 658 78 64 GLU HG3 H 2.272 0.005 2 659 78 64 GLU CA C 59.340 0.018 1 660 78 64 GLU CB C 29.364 0.156 1 661 78 64 GLU CG C 36.377 0.058 1 662 78 64 GLU N N 121.335 0.093 1 663 79 65 ILE H H 7.651 0.004 1 664 79 65 ILE HA H 3.575 0.001 1 665 79 65 ILE HB H 2.090 0.020 1 666 79 65 ILE HG12 H 1.359 0.017 2 667 79 65 ILE HG13 H 1.401 0.020 2 668 79 65 ILE HG2 H 0.921 0.020 1 669 79 65 ILE HD1 H 0.511 0.020 1 670 79 65 ILE CA C 63.312 0.021 1 671 79 65 ILE CB C 36.333 0.029 1 672 79 65 ILE CG1 C 28.291 0.037 1 673 79 65 ILE CG2 C 17.850 0.030 1 674 79 65 ILE CD1 C 10.692 0.029 1 675 79 65 ILE N N 119.463 0.096 1 676 80 66 LYS H H 8.710 0.007 1 677 80 66 LYS HA H 3.820 0.020 1 678 80 66 LYS HB2 H 1.817 0.020 1 679 80 66 LYS HB3 H 1.817 0.020 1 680 80 66 LYS HG2 H 1.600 0.020 2 681 80 66 LYS HG3 H 1.306 0.020 2 682 80 66 LYS HD2 H 1.640 0.009 1 683 80 66 LYS HD3 H 1.640 0.009 1 684 80 66 LYS HE2 H 2.830 0.020 2 685 80 66 LYS HE3 H 2.896 0.020 2 686 80 66 LYS CA C 60.446 0.020 1 687 80 66 LYS CB C 32.126 0.009 1 688 80 66 LYS CG C 26.563 0.191 1 689 80 66 LYS CD C 29.425 0.063 1 690 80 66 LYS CE C 41.902 0.020 1 691 80 66 LYS N N 117.846 0.055 1 692 81 67 ARG H H 7.904 0.001 1 693 81 67 ARG HA H 4.047 0.002 1 694 81 67 ARG HB2 H 1.970 0.005 2 695 81 67 ARG HB3 H 1.949 0.002 2 696 81 67 ARG HG2 H 1.740 0.009 2 697 81 67 ARG HG3 H 1.627 0.004 2 698 81 67 ARG HD2 H 3.213 0.007 1 699 81 67 ARG HD3 H 3.213 0.007 1 700 81 67 ARG CA C 59.281 0.033 1 701 81 67 ARG CB C 29.855 0.027 1 702 81 67 ARG CG C 27.357 0.105 1 703 81 67 ARG CD C 43.341 0.008 1 704 81 67 ARG N N 119.266 0.066 1 705 82 68 ILE H H 7.719 0.020 1 706 82 68 ILE HA H 3.778 0.020 1 707 82 68 ILE HB H 1.935 0.020 1 708 82 68 ILE HG12 H 1.059 0.020 2 709 82 68 ILE HG13 H 1.890 0.020 2 710 82 68 ILE HG2 H 0.805 0.003 1 711 82 68 ILE HD1 H 0.770 0.020 1 712 82 68 ILE CA C 64.578 0.049 1 713 82 68 ILE CB C 38.663 0.021 1 714 82 68 ILE CG1 C 29.316 0.047 1 715 82 68 ILE CG2 C 18.187 0.018 1 716 82 68 ILE CD1 C 14.424 0.049 1 717 82 68 ILE N N 120.733 0.075 1 718 83 69 LEU H H 7.472 0.002 1 719 83 69 LEU HA H 4.148 0.020 1 720 83 69 LEU HB2 H 1.742 0.020 2 721 83 69 LEU HB3 H 1.652 0.001 2 722 83 69 LEU HG H 1.617 0.020 1 723 83 69 LEU HD1 H 0.714 0.002 2 724 83 69 LEU HD2 H 0.576 0.020 2 725 83 69 LEU CA C 55.434 0.035 1 726 83 69 LEU CB C 42.519 0.143 1 727 83 69 LEU CG C 26.125 0.048 1 728 83 69 LEU CD1 C 25.844 0.072 2 729 83 69 LEU CD2 C 22.988 0.054 2 730 83 69 LEU N N 118.225 0.090 1 731 84 70 SER H H 7.495 0.011 1 732 84 70 SER HA H 4.201 0.020 1 733 84 70 SER HB2 H 3.959 0.020 1 734 84 70 SER HB3 H 3.959 0.020 1 735 84 70 SER CA C 60.976 0.037 1 736 84 70 SER CB C 64.838 0.043 1 737 84 70 SER N N 120.311 0.016 1 stop_ save_