data_12041 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C and 15N resonance assignments of Q38FZ4, hypothetical protein from Trypanosoma brucei ; _BMRB_accession_number 12041 _BMRB_flat_file_name bmr12041.str _Entry_type original _Submission_date 2020-01-15 _Accession_date 2020-01-16 _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 Wang Rui . . 2 Gao Jie . . 3 Liao Shanhui . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 497 "13C chemical shifts" 259 "15N chemical shifts" 91 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2020-07-09 original BMRB . stop_ _Original_release_date 2020-01-15 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; 1H, 13C and 15N resonance assignments of Q38FZ4, hypothetical protein from Trypanosoma brucei ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 32488600 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Wang Rui . . 2 Zhang Jiahai . . 3 Liao Shanhui . . 4 Tu Xiaoming . . stop_ _Journal_abbreviation 'Biomol. NMR Assign.' _Journal_name_full 'Biomolecular NMR assignments' _Journal_volume . _Journal_issue . _Journal_ISSN 1874-2718 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year 2020 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name Q38FZ4 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label Q38FZ4 $Q38FZ4 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_Q38FZ4 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Q38FZ4 _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 93 _Mol_residue_sequence ; MAPAVIEIHIPLDRIRNEEY ATDDLLLNCLSKIGDTPEED GLPLRTWILREAHQALIKSP KLRTVLVKPQTVKDKPTHFQ ICFDELEHHHHHH ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 MET 2 2 ALA 3 3 PRO 4 4 ALA 5 5 VAL 6 6 ILE 7 7 GLU 8 8 ILE 9 9 HIS 10 10 ILE 11 11 PRO 12 12 LEU 13 13 ASP 14 14 ARG 15 15 ILE 16 16 ARG 17 17 ASN 18 18 GLU 19 19 GLU 20 20 TYR 21 21 ALA 22 22 THR 23 23 ASP 24 24 ASP 25 25 LEU 26 26 LEU 27 27 LEU 28 28 ASN 29 29 CYS 30 30 LEU 31 31 SER 32 32 LYS 33 33 ILE 34 34 GLY 35 35 ASP 36 36 THR 37 37 PRO 38 38 GLU 39 39 GLU 40 40 ASP 41 41 GLY 42 42 LEU 43 43 PRO 44 44 LEU 45 45 ARG 46 46 THR 47 47 TRP 48 48 ILE 49 49 LEU 50 50 ARG 51 51 GLU 52 52 ALA 53 53 HIS 54 54 GLN 55 55 ALA 56 56 LEU 57 57 ILE 58 58 LYS 59 59 SER 60 60 PRO 61 61 LYS 62 62 LEU 63 63 ARG 64 64 THR 65 65 VAL 66 66 LEU 67 67 VAL 68 68 LYS 69 69 PRO 70 70 GLN 71 71 THR 72 72 VAL 73 73 LYS 74 74 ASP 75 75 LYS 76 76 PRO 77 77 THR 78 78 HIS 79 79 PHE 80 80 GLN 81 81 ILE 82 82 CYS 83 83 PHE 84 84 ASP 85 85 GLU 86 86 LEU 87 87 GLU 88 88 HIS 89 89 HIS 90 90 HIS 91 91 HIS 92 92 HIS 93 93 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 $Q38FZ4 'Trypanosoma brucei' 5691 Eukaryota . Trypanosoma brucei 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 $Q38FZ4 'recombinant technology' . Escherichia coli . pET-22(b) 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 $Q38FZ4 0.8 mM '[U-99% 13C; U-99% 15N]' NaH2PO4 25 mM 'natural abundance' NaCl 150 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % [U-2H] 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' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _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_1 save_ save_3D_HNCACB_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_H(CCO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _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_7 _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' 150 . mM pH 6.8 . 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 DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCACB' '3D CBCA(CO)NH' '3D HBHA(CO)NH' '3D H(CCO)NH' '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 Q38FZ4 _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 MET HA H 3.997 0.002 1 2 1 1 MET HB2 H 2.079 0.005 2 3 1 1 MET HB3 H 2.079 0.005 2 4 1 1 MET HG2 H 2.568 0.000 2 5 1 1 MET HG3 H 2.568 0.000 2 6 1 1 MET CA C 54.728 0.000 1 7 1 1 MET CB C 33.620 0.000 1 8 1 1 MET CG C 30.252 0.000 1 9 2 2 ALA H H 8.637 0.010 1 10 2 2 ALA N N 128.014 0.084 1 11 3 3 PRO HA H 4.073 0.008 1 12 3 3 PRO HB2 H 1.103 0.023 2 13 3 3 PRO HB3 H 0.938 0.010 2 14 3 3 PRO HD2 H 3.687 0.017 2 15 3 3 PRO HD3 H 3.441 0.007 2 16 3 3 PRO HG2 H 1.644 0.000 2 17 3 3 PRO HG3 H 1.644 0.000 2 18 3 3 PRO CA C 62.359 0.050 1 19 3 3 PRO CB C 31.060 0.073 1 20 3 3 PRO CD C 50.219 0.000 1 21 3 3 PRO CG C 27.362 0.000 1 22 4 4 ALA H H 7.869 0.008 1 23 4 4 ALA HA H 4.268 0.007 1 24 4 4 ALA HB H 1.266 0.008 1 25 4 4 ALA CA C 51.460 0.063 1 26 4 4 ALA CB C 18.773 0.819 1 27 4 4 ALA N N 125.768 0.226 1 28 5 5 VAL H H 8.269 0.006 1 29 5 5 VAL HA H 4.537 0.029 1 30 5 5 VAL HB H 1.799 0.007 1 31 5 5 VAL HG1 H 0.745 0.014 2 32 5 5 VAL HG2 H 0.745 0.014 2 33 5 5 VAL CA C 60.977 0.061 1 34 5 5 VAL CB C 33.079 0.303 1 35 5 5 VAL CG1 C 21.598 0.000 2 36 5 5 VAL CG2 C 21.598 0.000 2 37 5 5 VAL N N 120.436 0.161 1 38 6 6 ILE H H 8.460 0.006 1 39 6 6 ILE HA H 4.282 0.012 1 40 6 6 ILE HB H 1.814 0.006 1 41 6 6 ILE HG12 H 1.351 0.008 2 42 6 6 ILE HG13 H 1.351 0.008 2 43 6 6 ILE HG2 H 0.945 0.006 1 44 6 6 ILE CA C 59.400 0.161 1 45 6 6 ILE CB C 39.434 0.082 1 46 6 6 ILE CD1 C 11.687 0.000 1 47 6 6 ILE CG1 C 27.292 0.000 1 48 6 6 ILE CG2 C 16.977 0.096 1 49 6 6 ILE N N 129.162 0.292 1 50 7 7 GLU H H 8.877 0.009 1 51 7 7 GLU HA H 4.608 0.018 1 52 7 7 GLU HB2 H 2.006 0.010 2 53 7 7 GLU HB3 H 2.006 0.010 2 54 7 7 GLU HG2 H 2.226 0.017 2 55 7 7 GLU HG3 H 2.226 0.017 2 56 7 7 GLU CA C 55.276 0.000 1 57 7 7 GLU CB C 31.945 0.000 1 58 7 7 GLU CG C 37.196 0.000 1 59 7 7 GLU N N 129.466 0.344 1 60 8 8 ILE H H 8.875 0.009 1 61 8 8 ILE HA H 4.549 0.010 1 62 8 8 ILE HB H 1.666 0.016 1 63 8 8 ILE HD1 H 0.565 0.000 1 64 8 8 ILE HG12 H 1.429 0.029 2 65 8 8 ILE HG13 H 1.257 0.016 2 66 8 8 ILE HG2 H 0.796 0.009 1 67 8 8 ILE CA C 59.167 0.030 1 68 8 8 ILE CB C 41.400 0.000 1 69 8 8 ILE CD1 C 12.183 0.447 1 70 8 8 ILE CG1 C 26.993 0.080 1 71 8 8 ILE CG2 C 17.920 0.176 1 72 8 8 ILE N N 126.983 0.275 1 73 9 9 HIS H H 9.097 0.008 1 74 9 9 HIS HA H 5.207 0.007 1 75 9 9 HIS HB2 H 3.696 0.006 2 76 9 9 HIS HB3 H 2.975 0.011 2 77 9 9 HIS HE1 H 8.146 0.007 1 78 9 9 HIS CA C 54.999 0.181 1 79 9 9 HIS CB C 29.329 0.177 1 80 9 9 HIS N N 126.137 0.226 1 81 10 10 ILE H H 8.704 0.009 1 82 10 10 ILE HA H 4.473 0.000 1 83 10 10 ILE HB H 1.351 0.009 1 84 10 10 ILE HD1 H 0.613 0.011 1 85 10 10 ILE HG12 H 0.991 0.000 2 86 10 10 ILE HG13 H 0.991 0.000 2 87 10 10 ILE HG2 H 0.840 0.000 1 88 10 10 ILE N N 116.520 0.149 1 89 11 11 PRO HA H 5.136 0.086 1 90 11 11 PRO HB2 H 2.454 0.024 2 91 11 11 PRO HB3 H 2.454 0.024 2 92 11 11 PRO HD2 H 3.869 0.015 2 93 11 11 PRO HD3 H 3.359 0.012 2 94 11 11 PRO HG2 H 0.912 0.000 2 95 11 11 PRO HG3 H 0.912 0.000 2 96 11 11 PRO CA C 62.623 0.000 1 97 11 11 PRO CD C 50.916 0.121 1 98 11 11 PRO CG C 28.111 0.000 1 99 12 12 LEU H H 8.877 0.008 1 100 12 12 LEU HA H 3.696 0.007 1 101 12 12 LEU HB2 H 1.762 0.007 2 102 12 12 LEU HB3 H 1.129 0.016 2 103 12 12 LEU HD1 H 0.631 0.023 2 104 12 12 LEU HD2 H 0.631 0.023 2 105 12 12 LEU HG H 0.762 0.008 1 106 12 12 LEU CA C 57.458 0.000 1 107 12 12 LEU CB C 42.875 0.000 1 108 12 12 LEU CD1 C 23.755 0.000 2 109 12 12 LEU CD2 C 23.755 0.000 2 110 12 12 LEU CG C 25.899 0.000 1 111 12 12 LEU N N 127.027 0.262 1 112 13 13 ASP H H 8.787 0.008 1 113 13 13 ASP HA H 4.092 0.006 1 114 13 13 ASP HB2 H 2.601 0.017 2 115 13 13 ASP HB3 H 2.559 0.017 2 116 13 13 ASP CA C 56.747 0.103 1 117 13 13 ASP CB C 39.651 0.139 1 118 13 13 ASP N N 113.694 0.262 1 119 14 14 ARG H H 7.019 0.013 1 120 14 14 ARG HA H 4.324 0.022 1 121 14 14 ARG HB2 H 1.964 0.018 2 122 14 14 ARG HB3 H 1.666 0.011 2 123 14 14 ARG HD2 H 3.267 0.011 2 124 14 14 ARG HD3 H 3.049 0.011 2 125 14 14 ARG HE H 8.484 0.003 1 126 14 14 ARG CA C 57.082 0.015 1 127 14 14 ARG CB C 30.273 0.000 1 128 14 14 ARG CD C 41.895 0.091 1 129 14 14 ARG CG C 27.894 0.000 1 130 14 14 ARG N N 114.074 0.216 1 131 14 14 ARG NE N 115.065 0.018 1 132 15 15 ILE H H 7.463 0.010 1 133 15 15 ILE HA H 4.451 0.012 1 134 15 15 ILE HB H 1.425 0.014 1 135 15 15 ILE HD1 H 0.579 0.004 1 136 15 15 ILE HG12 H 0.948 0.002 2 137 15 15 ILE HG13 H 0.948 0.002 2 138 15 15 ILE CA C 58.018 0.030 1 139 15 15 ILE CB C 38.773 0.079 1 140 15 15 ILE CD1 C 15.607 0.000 1 141 15 15 ILE CG1 C 29.711 0.150 1 142 15 15 ILE CG2 C 18.764 0.000 1 143 15 15 ILE N N 116.495 0.196 1 144 16 16 ARG H H 7.536 0.006 1 145 16 16 ARG HA H 3.768 0.019 1 146 16 16 ARG HB2 H 1.711 0.009 2 147 16 16 ARG HB3 H 1.673 0.000 2 148 16 16 ARG HD2 H 3.034 0.014 2 149 16 16 ARG HD3 H 2.970 0.015 2 150 16 16 ARG HE H 8.478 0.006 1 151 16 16 ARG HG2 H 1.537 0.010 2 152 16 16 ARG HG3 H 1.537 0.010 2 153 16 16 ARG CA C 57.894 0.020 1 154 16 16 ARG CB C 31.147 0.094 1 155 16 16 ARG CD C 43.813 0.027 1 156 16 16 ARG CG C 27.262 0.190 1 157 16 16 ARG N N 121.880 0.127 1 158 16 16 ARG NE N 121.399 0.123 1 159 17 17 ASN H H 6.791 0.008 1 160 17 17 ASN HA H 4.472 0.015 1 161 17 17 ASN HB2 H 2.866 0.015 2 162 17 17 ASN HB3 H 2.820 0.002 2 163 17 17 ASN HD21 H 8.004 0.087 2 164 17 17 ASN HD22 H 7.308 0.477 2 165 17 17 ASN CA C 53.488 0.022 1 166 17 17 ASN CB C 39.240 0.089 1 167 17 17 ASN N N 117.386 0.177 1 168 17 17 ASN ND2 N 113.676 0.028 1 169 18 18 GLU H H 9.079 0.007 1 170 18 18 GLU HA H 4.025 0.018 1 171 18 18 GLU HB2 H 2.126 0.000 2 172 18 18 GLU HB3 H 2.061 0.017 2 173 18 18 GLU HG2 H 2.445 0.019 2 174 18 18 GLU HG3 H 2.445 0.019 2 175 18 18 GLU CA C 59.246 0.067 1 176 18 18 GLU CB C 29.678 0.202 1 177 18 18 GLU CG C 36.363 0.141 1 178 18 18 GLU N N 122.627 0.161 1 179 19 19 GLU H H 8.685 0.008 1 180 19 19 GLU HA H 4.249 0.011 1 181 19 19 GLU HB2 H 2.099 0.142 2 182 19 19 GLU HB3 H 2.099 0.142 2 183 19 19 GLU HG2 H 2.496 0.271 2 184 19 19 GLU HG3 H 2.496 0.271 2 185 19 19 GLU CA C 55.894 0.000 1 186 19 19 GLU CB C 27.246 0.000 1 187 19 19 GLU CG C 35.974 0.000 1 188 19 19 GLU N N 117.956 0.143 1 189 20 20 TYR H H 7.167 0.009 1 190 20 20 TYR HA H 4.241 0.010 1 191 20 20 TYR HB2 H 3.586 0.005 2 192 20 20 TYR HB3 H 2.667 0.014 2 193 20 20 TYR HD1 H 6.672 0.017 3 194 20 20 TYR HD2 H 6.672 0.017 3 195 20 20 TYR HE1 H 6.143 0.081 3 196 20 20 TYR HE2 H 6.143 0.081 3 197 20 20 TYR CA C 60.148 0.048 1 198 20 20 TYR CB C 37.334 0.076 1 199 20 20 TYR N N 117.630 0.174 1 200 21 21 ALA H H 6.776 0.008 1 201 21 21 ALA HA H 3.475 0.007 1 202 21 21 ALA HB H 0.793 0.006 1 203 21 21 ALA CA C 53.840 0.035 1 204 21 21 ALA CB C 18.039 0.158 1 205 21 21 ALA N N 120.032 0.137 1 206 22 22 THR H H 7.219 0.006 1 207 22 22 THR HA H 4.350 0.113 1 208 22 22 THR HB H 4.278 0.008 1 209 22 22 THR HG1 H 4.842 0.001 1 210 22 22 THR HG2 H 0.974 0.017 1 211 22 22 THR CA C 59.325 0.000 1 212 22 22 THR CB C 67.989 0.135 1 213 22 22 THR CG2 C 20.903 0.000 1 214 22 22 THR N N 103.679 0.505 1 215 23 23 ASP H H 7.215 0.009 1 216 23 23 ASP HA H 4.483 0.008 1 217 23 23 ASP HB2 H 3.152 0.006 2 218 23 23 ASP HB3 H 2.527 0.019 2 219 23 23 ASP CA C 53.535 0.005 1 220 23 23 ASP CB C 41.316 0.000 1 221 23 23 ASP N N 122.890 0.137 1 222 24 24 ASP H H 8.717 0.007 1 223 24 24 ASP HA H 4.253 0.011 1 224 24 24 ASP HB2 H 2.573 0.015 2 225 24 24 ASP HB3 H 2.573 0.015 2 226 24 24 ASP CA C 57.159 0.027 1 227 24 24 ASP CB C 40.797 0.000 1 228 24 24 ASP N N 127.025 0.255 1 229 25 25 LEU H H 8.154 0.006 1 230 25 25 LEU HA H 4.107 0.007 1 231 25 25 LEU HB2 H 1.683 0.016 2 232 25 25 LEU HB3 H 1.683 0.016 2 233 25 25 LEU HD1 H 0.852 0.017 2 234 25 25 LEU HD2 H 0.852 0.017 2 235 25 25 LEU CA C 58.510 0.013 1 236 25 25 LEU CB C 40.985 0.000 1 237 25 25 LEU CD1 C 24.557 0.000 2 238 25 25 LEU CD2 C 24.557 0.000 2 239 25 25 LEU CG C 27.564 0.000 1 240 25 25 LEU N N 121.085 0.122 1 241 26 26 LEU H H 7.550 0.008 1 242 26 26 LEU HA H 3.994 0.009 1 243 26 26 LEU HB2 H 2.008 0.010 2 244 26 26 LEU HB3 H 1.612 0.018 2 245 26 26 LEU HD1 H 0.876 0.026 2 246 26 26 LEU HD2 H 0.876 0.026 2 247 26 26 LEU HG H 1.020 0.007 1 248 26 26 LEU CA C 57.371 0.053 1 249 26 26 LEU CB C 41.757 0.031 1 250 26 26 LEU CG C 25.729 0.000 1 251 26 26 LEU N N 119.492 0.141 1 252 27 27 LEU H H 7.888 0.008 1 253 27 27 LEU HA H 3.804 0.004 1 254 27 27 LEU HB2 H 1.716 0.009 2 255 27 27 LEU HB3 H 1.368 0.016 2 256 27 27 LEU HD1 H 0.736 0.010 2 257 27 27 LEU HD2 H 0.736 0.010 2 258 27 27 LEU CA C 58.312 0.000 1 259 27 27 LEU CB C 41.095 0.000 1 260 27 27 LEU CD1 C 24.176 0.000 2 261 27 27 LEU CD2 C 24.176 0.000 2 262 27 27 LEU CG C 27.071 0.000 1 263 27 27 LEU N N 118.038 0.154 1 264 28 28 ASN H H 8.261 0.007 1 265 28 28 ASN HA H 4.489 0.011 1 266 28 28 ASN HB2 H 2.957 0.021 2 267 28 28 ASN HB3 H 2.863 0.009 2 268 28 28 ASN HD21 H 7.641 0.004 2 269 28 28 ASN HD22 H 6.979 0.010 2 270 28 28 ASN CA C 55.848 0.000 1 271 28 28 ASN CB C 38.123 0.130 1 272 28 28 ASN N N 118.345 0.165 1 273 28 28 ASN ND2 N 113.401 0.109 1 274 29 29 CYS H H 8.109 0.007 1 275 29 29 CYS HA H 4.376 0.010 1 276 29 29 CYS HB2 H 3.335 0.006 2 277 29 29 CYS HB3 H 2.939 0.012 2 278 29 29 CYS CA C 62.797 0.035 1 279 29 29 CYS CB C 26.931 0.030 1 280 29 29 CYS N N 119.659 0.121 1 281 30 30 LEU H H 7.287 0.011 1 282 30 30 LEU HA H 4.488 0.008 1 283 30 30 LEU HB2 H 2.028 0.014 2 284 30 30 LEU HB3 H 1.457 0.010 2 285 30 30 LEU HD1 H 0.814 0.013 2 286 30 30 LEU HD2 H 0.814 0.013 2 287 30 30 LEU HG H 1.642 0.013 1 288 30 30 LEU CA C 54.653 0.031 1 289 30 30 LEU CB C 41.367 0.000 1 290 30 30 LEU CD1 C 25.974 0.244 2 291 30 30 LEU CD2 C 25.974 0.244 2 292 30 30 LEU CG C 28.873 0.000 1 293 30 30 LEU N N 118.505 0.133 1 294 31 31 SER H H 7.521 0.008 1 295 31 31 SER HA H 4.493 0.005 1 296 31 31 SER HB2 H 4.026 0.007 2 297 31 31 SER HB3 H 4.026 0.007 2 298 31 31 SER HG H 4.839 0.002 1 299 31 31 SER N N 115.982 0.218 1 300 32 32 LYS H H 8.519 0.006 1 301 32 32 LYS HA H 4.213 0.007 1 302 32 32 LYS HB2 H 1.884 0.014 2 303 32 32 LYS HB3 H 1.787 0.013 2 304 32 32 LYS HD2 H 1.707 0.002 2 305 32 32 LYS HD3 H 1.707 0.002 2 306 32 32 LYS HE2 H 2.982 0.016 2 307 32 32 LYS HE3 H 2.982 0.016 2 308 32 32 LYS HG2 H 1.450 0.006 2 309 32 32 LYS HG3 H 1.450 0.006 2 310 32 32 LYS HZ H 8.210 0.004 1 311 32 32 LYS CA C 57.163 0.004 1 312 32 32 LYS CB C 31.600 0.118 1 313 32 32 LYS CD C 28.633 0.000 1 314 32 32 LYS CE C 41.729 0.000 1 315 32 32 LYS CG C 24.746 0.000 1 316 32 32 LYS N N 119.142 0.062 1 317 32 32 LYS NZ N 120.012 0.095 1 318 33 33 ILE H H 7.787 0.009 1 319 33 33 ILE HA H 3.946 0.010 1 320 33 33 ILE HB H 1.981 0.007 1 321 33 33 ILE HD1 H 0.586 0.129 1 322 33 33 ILE HG12 H 1.330 0.004 2 323 33 33 ILE HG13 H 1.226 0.021 2 324 33 33 ILE HG2 H 0.843 0.014 1 325 33 33 ILE CA C 61.290 0.063 1 326 33 33 ILE CB C 37.894 0.086 1 327 33 33 ILE CG1 C 27.889 0.024 1 328 33 33 ILE CG2 C 17.510 0.091 1 329 33 33 ILE N N 120.487 0.139 1 330 34 34 GLY H H 7.453 0.007 1 331 34 34 GLY HA2 H 4.080 0.013 2 332 34 34 GLY HA3 H 3.879 0.015 2 333 34 34 GLY CA C 44.536 0.042 1 334 34 34 GLY N N 107.390 0.475 1 335 35 35 ASP H H 8.167 0.007 1 336 35 35 ASP HA H 5.298 0.009 1 337 35 35 ASP HB2 H 3.071 0.049 2 338 35 35 ASP HB3 H 2.462 0.016 2 339 35 35 ASP CA C 55.292 0.017 1 340 35 35 ASP CB C 43.626 0.168 1 341 35 35 ASP N N 112.532 0.203 1 342 36 36 THR H H 7.960 0.008 1 343 36 36 THR HA H 4.752 0.098 1 344 36 36 THR HB H 4.126 0.013 1 345 36 36 THR HG1 H 4.841 0.000 1 346 36 36 THR HG2 H 1.132 0.007 1 347 36 36 THR CB C 69.907 0.431 1 348 36 36 THR N N 113.537 0.223 1 349 37 37 PRO HA H 4.610 0.016 1 350 37 37 PRO HB2 H 2.404 0.010 2 351 37 37 PRO HB3 H 2.106 0.014 2 352 37 37 PRO HD2 H 3.588 0.010 2 353 37 37 PRO HD3 H 3.588 0.010 2 354 37 37 PRO HG2 H 1.947 0.004 2 355 37 37 PRO HG3 H 1.817 0.009 2 356 37 37 PRO CA C 62.331 0.144 1 357 37 37 PRO CB C 33.796 0.097 1 358 37 37 PRO CD C 50.036 0.000 1 359 37 37 PRO CG C 25.387 0.076 1 360 38 38 GLU H H 8.425 0.007 1 361 38 38 GLU HA H 4.146 0.007 1 362 38 38 GLU N N 120.935 0.142 1 363 39 39 GLU HA H 4.131 0.021 1 364 39 39 GLU HB2 H 0.896 0.003 2 365 39 39 GLU HB3 H 0.600 0.018 2 366 39 39 GLU CA C 54.088 0.014 1 367 39 39 GLU CB C 30.982 0.000 1 368 39 39 GLU CG C 33.451 0.000 1 369 40 40 ASP H H 8.809 0.008 1 370 40 40 ASP HA H 4.179 0.009 1 371 40 40 ASP HB2 H 3.249 0.008 2 372 40 40 ASP HB3 H 2.439 0.011 2 373 40 40 ASP CA C 54.482 0.019 1 374 40 40 ASP CB C 41.320 0.064 1 375 40 40 ASP N N 125.248 0.248 1 376 41 41 GLY H H 8.486 0.007 1 377 41 41 GLY HA2 H 3.978 0.010 2 378 41 41 GLY HA3 H 3.552 0.015 2 379 41 41 GLY CA C 44.967 0.243 1 380 41 41 GLY N N 130.915 0.334 1 381 42 42 LEU H H 8.020 0.006 1 382 42 42 LEU HA H 4.144 0.020 1 383 42 42 LEU HB2 H 2.082 0.009 2 384 42 42 LEU HB3 H 1.744 0.002 2 385 42 42 LEU HD1 H 0.961 0.006 2 386 42 42 LEU HD2 H 0.961 0.006 2 387 42 42 LEU HG H 1.343 0.002 1 388 42 42 LEU N N 121.904 0.118 1 389 43 43 PRO HA H 4.495 0.004 1 390 43 43 PRO HB2 H 2.374 0.006 2 391 43 43 PRO HB3 H 2.054 0.012 2 392 43 43 PRO HD2 H 3.986 0.000 2 393 43 43 PRO HD3 H 3.482 0.030 2 394 43 43 PRO CA C 62.638 0.020 1 395 43 43 PRO CB C 32.679 0.263 1 396 44 44 LEU H H 8.193 0.007 1 397 44 44 LEU HA H 4.088 0.008 1 398 44 44 LEU HB2 H 2.059 0.010 2 399 44 44 LEU HB3 H 1.574 0.026 2 400 44 44 LEU HD1 H 1.033 0.011 2 401 44 44 LEU HD2 H 0.822 0.008 2 402 44 44 LEU HG H 1.379 0.013 1 403 44 44 LEU CA C 59.295 0.069 1 404 44 44 LEU CB C 39.154 0.000 1 405 44 44 LEU CD1 C 22.526 0.105 2 406 44 44 LEU CD2 C 22.526 0.105 2 407 44 44 LEU CG C 25.707 0.000 1 408 44 44 LEU N N 124.635 0.191 1 409 45 45 ARG H H 7.964 0.010 1 410 45 45 ARG HA H 3.807 0.011 1 411 45 45 ARG HB2 H 2.106 0.003 2 412 45 45 ARG HB3 H 1.899 0.048 2 413 45 45 ARG HD2 H 3.199 0.012 2 414 45 45 ARG HD3 H 2.785 0.008 2 415 45 45 ARG HE H 7.832 0.003 1 416 45 45 ARG HG2 H 1.478 0.018 2 417 45 45 ARG HG3 H 1.478 0.018 2 418 45 45 ARG CA C 60.591 0.051 1 419 45 45 ARG CB C 31.030 0.000 1 420 45 45 ARG CD C 44.346 0.042 1 421 45 45 ARG CG C 26.115 0.000 1 422 45 45 ARG N N 112.276 0.281 1 423 45 45 ARG NE N 114.681 0.017 1 424 46 46 THR H H 6.911 0.010 1 425 46 46 THR HA H 3.912 0.211 1 426 46 46 THR HB H 3.810 0.008 1 427 46 46 THR HG1 H 4.843 0.002 1 428 46 46 THR HG2 H 1.340 0.009 1 429 46 46 THR CA C 66.659 0.043 1 430 46 46 THR CB C 68.223 0.000 1 431 46 46 THR CG2 C 22.056 0.059 1 432 46 46 THR N N 113.719 0.308 1 433 47 47 TRP H H 8.517 0.007 1 434 47 47 TRP HA H 3.916 0.023 1 435 47 47 TRP HB2 H 3.554 0.013 2 436 47 47 TRP HB3 H 3.220 0.014 2 437 47 47 TRP HD1 H 7.357 0.015 1 438 47 47 TRP HE1 H 10.430 0.001 1 439 47 47 TRP HZ2 H 7.038 0.008 1 440 47 47 TRP CA C 63.091 0.000 1 441 47 47 TRP CB C 28.104 0.000 1 442 47 47 TRP N N 123.311 0.135 1 443 47 47 TRP NE1 N 130.234 0.019 1 444 48 48 ILE H H 8.642 0.007 1 445 48 48 ILE HA H 3.002 0.014 1 446 48 48 ILE HB H 1.777 0.008 1 447 48 48 ILE HD1 H 0.138 0.001 1 448 48 48 ILE HG12 H 0.598 0.012 2 449 48 48 ILE HG13 H 0.598 0.012 2 450 48 48 ILE HG2 H 0.580 0.000 1 451 48 48 ILE CA C 65.731 0.045 1 452 48 48 ILE CB C 37.690 0.174 1 453 48 48 ILE CD1 C 14.668 0.116 1 454 48 48 ILE CG1 C 29.010 0.000 1 455 48 48 ILE CG2 C 17.458 0.019 1 456 48 48 ILE N N 117.900 0.159 1 457 49 49 LEU H H 7.672 0.013 1 458 49 49 LEU HA H 3.795 0.007 1 459 49 49 LEU HB2 H 2.119 0.030 2 460 49 49 LEU HB3 H 1.347 0.008 2 461 49 49 LEU HD1 H 0.779 0.011 2 462 49 49 LEU CA C 57.338 0.000 1 463 49 49 LEU CB C 40.973 0.000 1 464 49 49 LEU CD1 C 22.767 0.000 2 465 49 49 LEU CD2 C 22.767 0.000 2 466 49 49 LEU CG C 26.002 0.000 1 467 49 49 LEU N N 115.932 0.231 1 468 50 50 ARG H H 8.494 0.009 1 469 50 50 ARG HA H 4.007 0.013 1 470 50 50 ARG HB2 H 1.913 0.024 2 471 50 50 ARG HB3 H 1.515 0.002 2 472 50 50 ARG HD2 H 3.217 0.001 2 473 50 50 ARG HD3 H 2.952 0.002 2 474 50 50 ARG HE H 7.083 0.010 1 475 50 50 ARG HG2 H 1.277 0.008 2 476 50 50 ARG HG3 H 1.277 0.008 2 477 50 50 ARG CA C 59.534 0.051 1 478 50 50 ARG CB C 29.866 0.000 1 479 50 50 ARG CD C 43.665 0.092 1 480 50 50 ARG CG C 27.153 0.000 1 481 50 50 ARG N N 120.877 0.172 1 482 50 50 ARG NE N 113.909 0.029 1 483 51 51 GLU H H 8.179 0.008 1 484 51 51 GLU HA H 3.525 0.007 1 485 51 51 GLU HB2 H 1.595 0.013 2 486 51 51 GLU HB3 H 1.417 0.014 2 487 51 51 GLU HG2 H 1.064 0.010 2 488 51 51 GLU HG3 H 0.754 0.009 2 489 51 51 GLU CA C 58.233 0.022 1 490 51 51 GLU CB C 29.371 0.000 1 491 51 51 GLU CG C 35.106 0.000 1 492 51 51 GLU N N 118.286 0.137 1 493 52 52 ALA H H 8.270 0.007 1 494 52 52 ALA HA H 3.893 0.007 1 495 52 52 ALA HB H 1.387 0.007 1 496 52 52 ALA CA C 55.100 0.014 1 497 52 52 ALA CB C 17.064 0.000 1 498 52 52 ALA N N 121.859 0.136 1 499 53 53 HIS H H 8.644 0.006 1 500 53 53 HIS HA H 3.478 0.012 1 501 53 53 HIS HB2 H 2.688 0.008 2 502 53 53 HIS HB3 H 1.952 0.006 2 503 53 53 HIS CA C 59.857 0.022 1 504 53 53 HIS CB C 27.497 0.099 1 505 53 53 HIS N N 115.478 0.182 1 506 54 54 GLN H H 8.600 0.009 1 507 54 54 GLN HA H 3.696 0.008 1 508 54 54 GLN HB2 H 1.978 0.008 2 509 54 54 GLN HB3 H 1.978 0.008 2 510 54 54 GLN HE21 H 7.377 0.007 2 511 54 54 GLN HE22 H 6.936 0.014 2 512 54 54 GLN HG2 H 2.589 0.012 2 513 54 54 GLN HG3 H 2.415 0.012 2 514 54 54 GLN CA C 58.380 0.043 1 515 54 54 GLN CB C 27.773 0.000 1 516 54 54 GLN CG C 34.596 0.074 1 517 54 54 GLN N N 115.509 0.186 1 518 54 54 GLN NE2 N 111.277 0.019 1 519 55 55 ALA H H 7.624 0.008 1 520 55 55 ALA HA H 3.961 0.013 1 521 55 55 ALA HB H 1.390 0.013 1 522 55 55 ALA CA C 54.660 0.033 1 523 55 55 ALA CB C 17.920 0.141 1 524 55 55 ALA N N 121.053 0.130 1 525 56 56 LEU H H 7.215 0.009 1 526 56 56 LEU HA H 3.986 0.006 1 527 56 56 LEU HB2 H 1.326 0.008 2 528 56 56 LEU HB3 H 1.225 0.003 2 529 56 56 LEU HD1 H 0.459 0.005 2 530 56 56 LEU HD2 H 0.264 0.002 2 531 56 56 LEU HG H 0.429 0.060 1 532 56 56 LEU CA C 55.844 0.056 1 533 56 56 LEU CB C 42.128 0.106 1 534 56 56 LEU CD1 C 25.239 1.183 2 535 56 56 LEU CD2 C 25.239 1.183 2 536 56 56 LEU CG C 25.902 0.177 1 537 56 56 LEU N N 118.791 0.124 1 538 57 57 ILE H H 7.545 0.007 1 539 57 57 ILE HA H 3.565 0.010 1 540 57 57 ILE HB H 1.772 0.011 1 541 57 57 ILE HD1 H 0.554 0.007 1 542 57 57 ILE HG12 H 1.019 0.009 2 543 57 57 ILE HG13 H 0.959 0.005 2 544 57 57 ILE HG2 H 0.711 0.011 1 545 57 57 ILE CA C 62.366 0.045 1 546 57 57 ILE CB C 36.122 0.056 1 547 57 57 ILE CG1 C 27.503 0.045 1 548 57 57 ILE CG2 C 17.450 0.101 1 549 57 57 ILE N N 117.627 0.165 1 550 58 58 LYS H H 7.147 0.008 1 551 58 58 LYS HA H 4.026 0.011 1 552 58 58 LYS HB2 H 1.812 0.013 2 553 58 58 LYS HB3 H 1.812 0.013 2 554 58 58 LYS HD2 H 1.617 0.006 2 555 58 58 LYS HD3 H 1.617 0.006 2 556 58 58 LYS HE2 H 2.912 0.018 2 557 58 58 LYS HE3 H 2.912 0.018 2 558 58 58 LYS HG2 H 1.405 0.026 2 559 58 58 LYS HG3 H 1.405 0.026 2 560 58 58 LYS CA C 58.017 0.032 1 561 58 58 LYS CB C 32.844 0.042 1 562 58 58 LYS CD C 28.885 0.062 1 563 58 58 LYS CE C 42.577 0.432 1 564 58 58 LYS CG C 24.926 0.000 1 565 58 58 LYS N N 117.627 0.158 1 566 59 59 SER H H 7.553 0.008 1 567 59 59 SER HA H 4.811 0.011 1 568 59 59 SER HB2 H 3.928 0.030 2 569 59 59 SER HB3 H 3.663 0.001 2 570 59 59 SER CB C 63.189 0.015 1 571 59 59 SER N N 113.583 0.291 1 572 60 60 PRO HA H 4.572 0.006 1 573 60 60 PRO HB2 H 2.343 0.011 2 574 60 60 PRO HB3 H 1.865 0.031 2 575 60 60 PRO HD2 H 3.617 0.030 2 576 60 60 PRO HD3 H 3.372 0.009 2 577 60 60 PRO HG2 H 1.901 0.003 2 578 60 60 PRO HG3 H 1.901 0.003 2 579 60 60 PRO CA C 64.352 0.041 1 580 60 60 PRO CB C 32.852 0.038 1 581 60 60 PRO CD C 50.116 0.124 1 582 60 60 PRO CG C 27.081 0.041 1 583 61 61 LYS H H 8.333 0.007 1 584 61 61 LYS HA H 4.208 0.006 1 585 61 61 LYS HB2 H 1.905 0.012 2 586 61 61 LYS HB3 H 1.717 0.002 2 587 61 61 LYS HD2 H 1.627 0.000 2 588 61 61 LYS HD3 H 1.627 0.000 2 589 61 61 LYS HE2 H 2.923 0.005 2 590 61 61 LYS HE3 H 2.923 0.005 2 591 61 61 LYS HG2 H 1.364 0.005 2 592 61 61 LYS HG3 H 1.364 0.005 2 593 61 61 LYS CA C 55.785 0.000 1 594 61 61 LYS CB C 31.515 0.000 1 595 61 61 LYS CD C 28.738 0.000 1 596 61 61 LYS CE C 41.565 0.000 1 597 61 61 LYS CG C 24.870 0.000 1 598 61 61 LYS N N 115.511 0.215 1 599 62 62 LEU H H 7.921 0.007 1 600 62 62 LEU HA H 4.028 0.007 1 601 62 62 LEU HB2 H 1.823 0.012 2 602 62 62 LEU HB3 H 1.625 0.017 2 603 62 62 LEU HG H 0.915 0.024 1 604 62 62 LEU CA C 56.337 0.024 1 605 62 62 LEU CB C 43.812 0.108 1 606 62 62 LEU CD1 C 24.468 0.000 2 607 62 62 LEU CD2 C 24.468 0.000 2 608 62 62 LEU N N 122.920 0.147 1 609 63 63 ARG H H 8.924 0.008 1 610 63 63 ARG HA H 4.854 0.016 1 611 63 63 ARG HB2 H 2.250 0.002 2 612 63 63 ARG HB3 H 1.729 0.023 2 613 63 63 ARG HD2 H 3.435 0.006 2 614 63 63 ARG HD3 H 3.217 0.010 2 615 63 63 ARG HE H 7.647 0.013 1 616 63 63 ARG CA C 54.104 0.000 1 617 63 63 ARG CB C 31.061 0.230 1 618 63 63 ARG CD C 42.292 0.052 1 619 63 63 ARG CG C 26.400 0.000 1 620 63 63 ARG N N 118.620 0.148 1 621 63 63 ARG NE N 115.116 0.098 1 622 64 64 THR H H 7.368 0.007 1 623 64 64 THR HA H 4.979 0.012 1 624 64 64 THR HB H 3.893 0.007 1 625 64 64 THR HG2 H 0.920 0.001 1 626 64 64 THR CA C 66.498 5.832 1 627 64 64 THR CB C 71.471 0.000 1 628 64 64 THR CG2 C 20.101 0.113 1 629 64 64 THR N N 115.180 0.218 1 630 65 65 VAL H H 8.611 0.008 1 631 65 65 VAL HA H 4.267 0.011 1 632 65 65 VAL HB H 1.912 0.006 1 633 65 65 VAL HG2 H 0.693 0.000 2 634 65 65 VAL CA C 60.376 0.144 1 635 65 65 VAL CB C 35.021 0.140 1 636 65 65 VAL CG1 C 20.983 0.000 2 637 65 65 VAL CG2 C 20.261 0.128 2 638 65 65 VAL N N 122.363 0.118 1 639 66 66 LEU H H 8.391 0.012 1 640 66 66 LEU HA H 5.035 0.038 1 641 66 66 LEU HB2 H 1.684 0.009 2 642 66 66 LEU HB3 H 1.360 0.010 2 643 66 66 LEU HD2 H 0.780 0.010 2 644 66 66 LEU HG H 1.165 0.011 1 645 66 66 LEU CA C 53.203 0.263 1 646 66 66 LEU CB C 42.702 0.059 1 647 66 66 LEU CD1 C 25.516 0.000 2 648 66 66 LEU CD2 C 23.450 0.170 2 649 66 66 LEU CG C 26.811 0.000 1 650 66 66 LEU N N 129.442 0.333 1 651 67 67 VAL H H 9.515 0.007 1 652 67 67 VAL HA H 4.378 0.007 1 653 67 67 VAL HB H 2.206 0.005 1 654 67 67 VAL HG1 H 0.896 0.018 2 655 67 67 VAL HG2 H 0.927 0.000 2 656 67 67 VAL CA C 61.208 0.035 1 657 67 67 VAL CB C 33.719 0.148 1 658 67 67 VAL CG1 C 23.256 0.044 2 659 67 67 VAL CG2 C 21.631 0.061 2 660 67 67 VAL N N 126.476 0.228 1 661 68 68 LYS H H 8.819 0.008 1 662 68 68 LYS HD2 H 1.664 0.009 2 663 68 68 LYS HD3 H 1.664 0.009 2 664 68 68 LYS HG2 H 1.310 0.000 2 665 68 68 LYS HG3 H 1.310 0.000 2 666 68 68 LYS N N 124.772 0.172 1 667 69 69 PRO HA H 4.038 0.004 1 668 69 69 PRO HB2 H 1.933 0.004 2 669 69 69 PRO HB3 H 1.933 0.004 2 670 69 69 PRO HD3 H 2.429 0.000 2 671 69 69 PRO HG2 H 2.087 0.003 2 672 69 69 PRO HG3 H 2.087 0.003 2 673 69 69 PRO CA C 63.030 0.000 1 674 69 69 PRO CB C 31.651 0.000 1 675 69 69 PRO CD C 50.955 0.000 1 676 69 69 PRO CG C 28.153 0.000 1 677 70 70 GLN H H 9.443 0.194 1 678 70 70 GLN HA H 4.242 0.006 1 679 70 70 GLN HB2 H 2.127 0.013 2 680 70 70 GLN HB3 H 1.961 0.010 2 681 70 70 GLN HE21 H 7.601 0.005 2 682 70 70 GLN HE22 H 6.926 0.000 2 683 70 70 GLN HG2 H 2.384 0.007 2 684 70 70 GLN HG3 H 2.384 0.007 2 685 70 70 GLN CA C 55.960 0.000 1 686 70 70 GLN CB C 30.240 0.201 1 687 70 70 GLN CG C 34.139 0.113 1 688 70 70 GLN N N 121.230 0.146 1 689 70 70 GLN NE2 N 114.061 0.041 1 690 71 71 THR H H 8.636 0.008 1 691 71 71 THR HA H 4.011 0.011 1 692 71 71 THR HB H 4.005 0.004 1 693 71 71 THR HG1 H 4.841 0.001 1 694 71 71 THR HG2 H 1.119 0.007 1 695 71 71 THR CA C 66.190 1.802 1 696 71 71 THR CB C 68.346 0.002 1 697 71 71 THR N N 119.287 0.141 1 698 72 72 VAL H H 8.396 0.010 1 699 72 72 VAL HA H 3.944 0.016 1 700 72 72 VAL HB H 1.962 0.011 1 701 72 72 VAL HG1 H 0.918 0.005 2 702 72 72 VAL HG2 H 0.801 0.000 2 703 72 72 VAL CA C 62.643 0.020 1 704 72 72 VAL CB C 32.263 0.000 1 705 72 72 VAL CG1 C 21.265 0.058 2 706 72 72 VAL CG2 C 21.372 0.000 2 707 72 72 VAL N N 125.228 0.192 1 708 73 73 LYS H H 8.359 0.008 1 709 73 73 LYS HA H 4.310 0.008 1 710 73 73 LYS HB2 H 1.808 0.007 2 711 73 73 LYS HB3 H 1.630 0.005 2 712 73 73 LYS HD2 H 1.335 0.007 2 713 73 73 LYS HD3 H 1.335 0.007 2 714 73 73 LYS HE2 H 2.948 0.005 2 715 73 73 LYS HE3 H 2.948 0.005 2 716 73 73 LYS CA C 55.717 0.000 1 717 73 73 LYS CB C 33.497 0.164 1 718 73 73 LYS CD C 28.706 0.000 1 719 73 73 LYS CE C 41.824 0.000 1 720 73 73 LYS CG C 23.915 0.000 1 721 73 73 LYS N N 125.317 0.223 1 722 74 74 ASP H H 8.371 0.010 1 723 74 74 ASP HA H 4.365 0.004 1 724 74 74 ASP HB2 H 2.643 0.008 2 725 74 74 ASP HB3 H 2.643 0.008 2 726 74 74 ASP CA C 55.586 0.000 1 727 74 74 ASP CB C 40.298 0.000 1 728 74 74 ASP N N 118.747 0.181 1 729 75 75 LYS H H 7.992 0.006 1 730 75 75 LYS HA H 4.545 0.032 1 731 75 75 LYS HB2 H 1.694 0.000 2 732 75 75 LYS HB3 H 1.614 0.031 2 733 75 75 LYS HD2 H 1.275 0.006 2 734 75 75 LYS HD3 H 1.275 0.006 2 735 75 75 LYS HZ H 7.854 0.000 1 736 75 75 LYS CB C 32.242 0.046 1 737 75 75 LYS N N 119.138 0.139 1 738 75 75 LYS NZ N 118.964 0.000 1 739 76 76 PRO HA H 4.265 0.009 1 740 76 76 PRO HB2 H 2.248 0.001 2 741 76 76 PRO HB3 H 1.505 0.007 2 742 76 76 PRO HD2 H 3.512 0.013 2 743 76 76 PRO HD3 H 3.512 0.013 2 744 76 76 PRO CA C 63.319 0.014 1 745 76 76 PRO CB C 32.403 0.071 1 746 76 76 PRO CD C 50.392 0.000 1 747 76 76 PRO CG C 27.187 0.000 1 748 77 77 THR H H 8.172 0.009 1 749 77 77 THR HA H 4.620 0.028 1 750 77 77 THR HB H 3.645 0.009 1 751 77 77 THR HG1 H 4.894 0.050 1 752 77 77 THR HG2 H 0.686 0.017 1 753 77 77 THR CA C 61.645 0.000 1 754 77 77 THR CB C 71.448 0.327 1 755 77 77 THR CG2 C 21.743 0.189 1 756 77 77 THR N N 118.122 0.204 1 757 78 78 HIS H H 8.954 0.007 1 758 78 78 HIS HA H 4.983 0.012 1 759 78 78 HIS HB2 H 2.886 0.012 2 760 78 78 HIS HB3 H 2.886 0.012 2 761 78 78 HIS HD2 H 6.770 0.043 1 762 78 78 HIS CA C 51.827 0.106 1 763 78 78 HIS CB C 34.767 0.153 1 764 78 78 HIS N N 124.646 0.194 1 765 79 79 PHE H H 8.672 0.009 1 766 79 79 PHE HA H 5.398 0.008 1 767 79 79 PHE HB2 H 2.836 0.019 2 768 79 79 PHE HB3 H 2.836 0.019 2 769 79 79 PHE HD1 H 7.144 0.103 3 770 79 79 PHE HE1 H 7.085 0.058 3 771 79 79 PHE CA C 56.251 0.019 1 772 79 79 PHE CB C 40.887 0.000 1 773 79 79 PHE N N 117.644 0.191 1 774 80 80 GLN H H 9.105 0.016 1 775 80 80 GLN HA H 4.641 0.009 1 776 80 80 GLN HB2 H 1.869 0.011 2 777 80 80 GLN HB3 H 1.632 0.011 2 778 80 80 GLN HE21 H 7.112 0.004 2 779 80 80 GLN HE22 H 6.678 0.006 2 780 80 80 GLN HG2 H 2.081 0.018 2 781 80 80 GLN HG3 H 2.081 0.018 2 782 80 80 GLN CA C 54.248 0.051 1 783 80 80 GLN CB C 29.046 0.000 1 784 80 80 GLN CG C 33.328 0.000 1 785 80 80 GLN N N 127.255 0.285 1 786 80 80 GLN NE2 N 111.896 0.023 1 787 81 81 ILE H H 9.182 0.008 1 788 81 81 ILE HA H 4.467 0.013 1 789 81 81 ILE HB H 1.918 0.006 1 790 81 81 ILE HG12 H 1.470 0.004 2 791 81 81 ILE HG13 H 1.094 0.022 2 792 81 81 ILE HG2 H 0.522 0.036 1 793 81 81 ILE CA C 58.557 0.076 1 794 81 81 ILE CB C 35.294 0.113 1 795 81 81 ILE CD1 C 11.232 0.000 1 796 81 81 ILE CG1 C 26.926 0.000 1 797 81 81 ILE CG2 C 18.918 0.258 1 798 81 81 ILE N N 128.156 0.285 1 799 82 82 CYS H H 8.844 0.010 1 800 82 82 CYS HA H 4.430 0.010 1 801 82 82 CYS HB2 H 2.507 0.014 2 802 82 82 CYS HB3 H 1.350 0.008 2 803 82 82 CYS CA C 57.024 0.071 1 804 82 82 CYS CB C 28.224 0.097 1 805 82 82 CYS N N 126.097 0.215 1 806 83 83 PHE H H 8.121 0.007 1 807 83 83 PHE HA H 5.379 0.008 1 808 83 83 PHE HB2 H 3.010 0.007 2 809 83 83 PHE HB3 H 2.771 0.007 2 810 83 83 PHE HD1 H 6.899 0.019 3 811 83 83 PHE HD2 H 6.899 0.019 3 812 83 83 PHE HE1 H 7.207 0.006 3 813 83 83 PHE HE2 H 7.207 0.006 3 814 83 83 PHE CA C 52.863 0.147 1 815 83 83 PHE CB C 38.413 0.000 1 816 83 83 PHE N N 122.634 0.155 1 817 84 84 ASP H H 9.053 0.006 1 818 84 84 ASP HA H 4.816 0.011 1 819 84 84 ASP HB2 H 2.735 0.009 2 820 84 84 ASP HB3 H 2.480 0.004 2 821 84 84 ASP CA C 53.782 0.000 1 822 84 84 ASP CB C 41.125 0.000 1 823 84 84 ASP N N 125.358 0.204 1 824 85 85 GLU H H 8.939 0.008 1 825 85 85 GLU HA H 4.401 0.011 1 826 85 85 GLU HB2 H 2.100 0.007 2 827 85 85 GLU HB3 H 1.861 0.012 2 828 85 85 GLU HG2 H 2.257 0.015 2 829 85 85 GLU HG3 H 2.257 0.015 2 830 85 85 GLU CA C 55.816 0.006 1 831 85 85 GLU CB C 31.248 0.043 1 832 85 85 GLU CG C 36.239 0.000 1 833 85 85 GLU N N 124.138 0.177 1 834 86 86 LEU H H 8.497 0.008 1 835 86 86 LEU HA H 4.308 0.008 1 836 86 86 LEU HB2 H 1.544 0.006 2 837 86 86 LEU HB3 H 1.544 0.006 2 838 86 86 LEU HD1 H 0.850 0.009 2 839 86 86 LEU HD2 H 0.850 0.009 2 840 86 86 LEU CA C 54.990 0.038 1 841 86 86 LEU CB C 42.371 0.000 1 842 86 86 LEU CD1 C 23.876 0.000 2 843 86 86 LEU CD2 C 23.876 0.000 2 844 86 86 LEU CG C 26.971 0.000 1 845 86 86 LEU N N 123.338 0.174 1 846 87 87 GLU H H 8.479 0.010 1 847 87 87 GLU N N 121.634 0.196 1 stop_ save_