data_36185 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of RRM domian of La protein from Trypanosoma brucei ; _BMRB_accession_number 36185 _BMRB_flat_file_name bmr36185.str _Entry_type original _Submission_date 2018-05-07 _Accession_date 2018-06-13 _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 Shan F. Z. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 560 "13C chemical shifts" 195 "15N chemical shifts" 91 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2019-05-13 original BMRB . stop_ _Original_release_date 2018-06-13 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; A telomerase subunit homolog La protein from Trypanosoma brucei plays an essential role in ribosomal biogenesis ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 30993866 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Shan Fangzhen . . 2 Mei Song . . 3 Zhang Jiahai . . 4 Zhang Xuecheng . . 5 Xu Chao . . 6 Liao Shanhui . . 7 Tu Xiaoming . . 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 'RNA binding protein La-like protein' _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 'RNA binding protein La-like protein' _Molecular_mass 11282.726 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 99 _Mol_residue_sequence ; TDHQTVYVKPVPPTATLEQL TEFFSKHGTVQAVWRRYFAG KKDAPPESRTKPSVFVVFNS SEEAEAFQKAPPMYDDVQLT AEMKTTYLERKAEEIAAKK ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 12 THR 2 13 ASP 3 14 HIS 4 15 GLN 5 16 THR 6 17 VAL 7 18 TYR 8 19 VAL 9 20 LYS 10 21 PRO 11 22 VAL 12 23 PRO 13 24 PRO 14 25 THR 15 26 ALA 16 27 THR 17 28 LEU 18 29 GLU 19 30 GLN 20 31 LEU 21 32 THR 22 33 GLU 23 34 PHE 24 35 PHE 25 36 SER 26 37 LYS 27 38 HIS 28 39 GLY 29 40 THR 30 41 VAL 31 42 GLN 32 43 ALA 33 44 VAL 34 45 TRP 35 46 ARG 36 47 ARG 37 48 TYR 38 49 PHE 39 50 ALA 40 51 GLY 41 52 LYS 42 53 LYS 43 54 ASP 44 55 ALA 45 56 PRO 46 57 PRO 47 58 GLU 48 59 SER 49 60 ARG 50 61 THR 51 62 LYS 52 63 PRO 53 64 SER 54 65 VAL 55 66 PHE 56 67 VAL 57 68 VAL 58 69 PHE 59 70 ASN 60 71 SER 61 72 SER 62 73 GLU 63 74 GLU 64 75 ALA 65 76 GLU 66 77 ALA 67 78 PHE 68 79 GLN 69 80 LYS 70 81 ALA 71 82 PRO 72 83 PRO 73 84 MET 74 85 TYR 75 86 ASP 76 87 ASP 77 88 VAL 78 89 GLN 79 90 LEU 80 91 THR 81 92 ALA 82 93 GLU 83 94 MET 84 95 LYS 85 96 THR 86 97 THR 87 98 TYR 88 99 LEU 89 100 GLU 90 101 ARG 91 102 LYS 92 103 ALA 93 104 GLU 94 105 GLU 95 106 ILE 96 107 ALA 97 108 ALA 98 109 LYS 99 110 LYS 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 $entity_1 '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 $entity_1 'recombinant technology' . Escherichia coli . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '0.5 mM [U-13C; U-15N] RRM, 200 mM sodium chloride, 20 mM sodium phosphate, 2 mM DTT, 2 mM EDTA, 90% H2O/10% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 0.5 mM '[U-13C; U-15N]' DTT 2 mM 'natural abundance' EDTA 2 mM 'natural abundance' 'sodium chloride' 200 mM 'natural abundance' 'sodium phosphate' 20 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % [U-2H] stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name CYANA _Version . loop_ _Vendor _Address _Electronic_address 'Guntert P.' . . 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task refinement 'structure calculation' stop_ _Details . save_ save_software_2 _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' 'peak picking' 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_2D_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 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' 200 . mM pH 6.8 . 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 . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.000 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.000 internal 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_chemical_shifts_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D NOESY' 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 12 1 THR H H 8.2543 0.003 . 2 12 1 THR HA H 4.626 0.007 . 3 12 1 THR HB H 4.351 0.513 . 4 12 1 THR HG2 H 1.221 0.213 . 5 12 1 THR CA C 58.349 0.070 . 6 12 1 THR CB C 66.609 0.082 . 7 12 1 THR N N 115.072 0.027 . 8 13 2 ASP H H 8.984 0.005 . 9 13 2 ASP HA H 4.321 0.000 . 10 13 2 ASP HB2 H 2.847 0.000 . 11 13 2 ASP HB3 H 2.547 0.000 . 12 13 2 ASP CA C 52.016 0.002 . 13 13 2 ASP CB C 36.316 0.002 . 14 13 2 ASP N N 127.275 0.042 . 15 14 3 HIS H H 7.834 0.005 . 16 14 3 HIS HA H 4.477 0.008 . 17 14 3 HIS HB2 H 3.285 0.069 . 18 14 3 HIS HB3 H 3.200 0.016 . 19 14 3 HIS CA C 54.805 0.031 . 20 14 3 HIS CB C 26.223 0.063 . 21 14 3 HIS N N 121.040 0.033 . 22 15 4 GLN H H 7.474 0.005 . 23 15 4 GLN HA H 4.480 0.035 . 24 15 4 GLN HB2 H 2.058 0.020 . 25 15 4 GLN HB3 H 2.031 0.010 . 26 15 4 GLN HG2 H 2.368 0.000 . 27 15 4 GLN HG3 H 2.368 0.000 . 28 15 4 GLN CA C 51.355 0.059 . 29 15 4 GLN CB C 26.481 0.046 . 30 15 4 GLN N N 114.599 0.051 . 31 16 5 THR H H 7.449 0.054 . 32 16 5 THR HA H 3.994 0.018 . 33 16 5 THR HB H 3.927 0.000 . 34 16 5 THR HG2 H 0.997 0.057 . 35 16 5 THR HG2 H 0.997 0.057 . 36 16 5 THR CA C 58.885 0.025 . 37 16 5 THR CB C 66.201 0.036 . 38 16 5 THR N N 116.553 0.068 . 39 17 6 VAL H H 9.306 0.023 . 40 17 6 VAL HA H 4.830 0.023 . 41 17 6 VAL HB H 2.006 0.017 . 42 17 6 VAL HG1 H 1.180 0.011 . 43 17 6 VAL HG1 H 1.180 0.011 . 44 17 6 VAL HG1 H 1.180 0.011 . 45 17 6 VAL HG2 H 0.940 0.020 . 46 17 6 VAL CA C 57.299 0.019 . 47 17 6 VAL CB C 32.279 0.064 . 48 17 6 VAL N N 124.509 0.049 . 49 18 7 TYR H H 9.719 0.059 . 50 18 7 TYR HA H 4.942 0.046 . 51 18 7 TYR HB2 H 2.995 0.024 . 52 18 7 TYR HB3 H 2.482 0.008 . 53 18 7 TYR CA C 54.201 0.033 . 54 18 7 TYR CB C 36.510 0.084 . 55 18 7 TYR N N 129.093 0.052 . 56 19 8 VAL H H 8.365 0.008 . 57 19 8 VAL HA H 5.039 0.027 . 58 19 8 VAL HB H 1.650 0.014 . 59 19 8 VAL HG1 H 1.143 0.006 . 60 19 8 VAL HG2 H 0.935 0.015 . 61 19 8 VAL CA C 57.466 0.030 . 62 19 8 VAL CB C 32.089 0.027 . 63 19 8 VAL N N 127.368 0.053 . 64 20 9 LYS H H 8.244 0.013 . 65 20 9 LYS HA H 4.857 0.010 . 66 20 9 LYS HB2 H 1.457 0.012 . 67 20 9 LYS HB3 H 1.457 0.012 . 68 20 9 LYS HG2 H 1.043 0.002 . 69 20 9 LYS HG3 H 1.043 0.002 . 70 20 9 LYS HD2 H 1.208 0.002 . 71 20 9 LYS HD3 H 1.208 0.002 . 72 20 9 LYS HE2 H 2.985 0.003 . 73 20 9 LYS HE3 H 2.985 0.003 . 74 20 9 LYS CA C 50.700 0.013 . 75 20 9 LYS CB C 29.752 0.015 . 76 20 9 LYS N N 122.322 0.076 . 77 21 10 PRO HA H 4.357 0.139 . 78 21 10 PRO HB2 H 2.752 0.000 . 79 21 10 PRO HB3 H 2.005 0.002 . 80 21 10 PRO HG2 H 1.868 0.021 . 81 21 10 PRO HG3 H 1.868 0.021 . 82 21 10 PRO HD2 H 3.024 0.010 . 83 21 10 PRO HD3 H 3.024 0.010 . 84 21 10 PRO CA C 62.779 0.006 . 85 21 10 PRO CB C 35.465 0.075 . 86 21 10 PRO CG C 27.218 0.002 . 87 21 10 PRO CD C 49.545 0.002 . 88 22 11 VAL H H 8.232 0.013 . 89 22 11 VAL HA H 4.430 0.030 . 90 22 11 VAL HB H 2.106 0.021 . 91 22 11 VAL HG1 H 1.122 0.018 . 92 22 11 VAL HG1 H 1.122 0.018 . 93 22 11 VAL HG2 H 0.963 0.025 . 94 22 11 VAL HG2 H 0.963 0.025 . 95 22 11 VAL HG2 H 0.963 0.025 . 96 22 11 VAL CA C 58.352 0.002 . 97 22 11 VAL CB C 29.279 0.002 . 98 22 11 VAL N N 127.592 0.173 . 99 24 13 PRO HA H 4.337 0.001 . 100 24 13 PRO HB2 H 2.302 0.052 . 101 24 13 PRO HB3 H 2.022 0.023 . 102 24 13 PRO HG2 H 1.974 0.169 . 103 24 13 PRO HG3 H 1.857 0.000 . 104 24 13 PRO HD2 H 3.946 0.018 . 105 24 13 PRO HD3 H 3.946 0.018 . 106 24 13 PRO CA C 61.566 0.061 . 107 24 13 PRO CB C 29.622 0.018 . 108 25 14 THR H H 7.060 0.034 . 109 25 14 THR HA H 4.457 0.000 . 110 25 14 THR HB H 4.147 0.010 . 111 25 14 THR HG2 H 1.231 0.012 . 112 25 14 THR HG2 H 1.231 0.012 . 113 25 14 THR CA C 57.953 0.025 . 114 25 14 THR CB C 66.043 0.036 . 115 25 14 THR N N 101.667 0.070 . 116 26 15 ALA H H 7.295 0.031 . 117 26 15 ALA HA H 4.513 0.008 . 118 26 15 ALA HB H 1.272 0.011 . 119 26 15 ALA HB H 1.232 0.012 . 120 26 15 ALA HB H 1.175 0.010 . 121 26 15 ALA CA C 49.428 0.012 . 122 26 15 ALA CB C 15.459 0.067 . 123 26 15 ALA N N 125.479 0.049 . 124 27 16 THR H H 8.695 0.020 . 125 27 16 THR HA H 4.857 0.011 . 126 27 16 THR HB H 4.479 0.012 . 127 27 16 THR HG2 H 1.386 0.011 . 128 27 16 THR HG2 H 1.386 0.011 . 129 27 16 THR CA C 57.103 0.024 . 130 27 16 THR CB C 67.940 0.001 . 131 27 16 THR N N 114.804 0.059 . 132 28 17 LEU H H 9.010 0.015 . 133 28 17 LEU HA H 4.002 0.025 . 134 28 17 LEU HB2 H 1.749 0.009 . 135 28 17 LEU HB3 H 1.868 0.012 . 136 28 17 LEU HG H 1.717 0.000 . 137 28 17 LEU HD1 H 0.968 0.016 . 138 28 17 LEU HD2 H 0.991 0.011 . 139 28 17 LEU CA C 55.272 0.022 . 140 28 17 LEU CB C 38.136 0.057 . 141 28 17 LEU N N 122.651 0.069 . 142 29 18 GLU H H 9.054 0.011 . 143 29 18 GLU HA H 4.034 0.003 . 144 29 18 GLU HB2 H 2.117 0.021 . 145 29 18 GLU HB3 H 1.977 0.024 . 146 29 18 GLU HG2 H 2.401 0.020 . 147 29 18 GLU HG3 H 2.300 0.020 . 148 29 18 GLU CA C 57.595 0.046 . 149 29 18 GLU CB C 25.863 0.000 . 150 29 18 GLU N N 121.337 0.057 . 151 30 19 GLN H H 7.925 0.021 . 152 30 19 GLN HA H 4.123 0.001 . 153 30 19 GLN HB2 H 2.102 0.194 . 154 30 19 GLN HB3 H 1.987 0.034 . 155 30 19 GLN HG2 H 2.498 0.012 . 156 30 19 GLN HG3 H 2.398 0.020 . 157 30 19 GLN CA C 55.824 0.106 . 158 30 19 GLN CB C 25.214 0.100 . 159 30 19 GLN N N 120.556 0.064 . 160 31 20 LEU H H 8.563 0.025 . 161 31 20 LEU HA H 4.115 0.032 . 162 31 20 LEU HB2 H 1.429 0.014 . 163 31 20 LEU HG H 1.387 0.003 . 164 31 20 LEU HD1 H 0.666 0.016 . 165 31 20 LEU HD1 H 0.666 0.016 . 166 31 20 LEU HD1 H 0.666 0.016 . 167 31 20 LEU HD2 H 0.548 0.021 . 168 31 20 LEU HD2 H 0.548 0.021 . 169 31 20 LEU CA C 54.691 0.036 . 170 31 20 LEU CB C 39.112 0.036 . 171 31 20 LEU N N 119.216 0.048 . 172 32 21 THR H H 8.890 0.017 . 173 32 21 THR HA H 4.301 0.006 . 174 32 21 THR HB H 3.742 0.025 . 175 32 21 THR HG2 H 1.141 0.014 . 176 32 21 THR HG2 H 1.141 0.014 . 177 32 21 THR HG2 H 1.141 0.014 . 178 32 21 THR CA C 58.160 0.000 . 179 32 21 THR CB C 65.099 0.017 . 180 32 21 THR N N 117.639 0.056 . 181 33 22 GLU H H 8.145 0.021 . 182 33 22 GLU HA H 3.987 0.016 . 183 33 22 GLU HB2 H 2.166 0.015 . 184 33 22 GLU HB3 H 2.091 0.003 . 185 33 22 GLU HG2 H 2.368 0.004 . 186 33 22 GLU HG3 H 2.230 0.002 . 187 33 22 GLU CA C 56.658 0.026 . 188 33 22 GLU CB C 26.302 0.062 . 189 33 22 GLU N N 123.482 0.061 . 190 34 23 PHE H H 7.882 0.016 . 191 34 23 PHE HA H 4.148 0.006 . 192 34 23 PHE HB2 H 3.194 0.019 . 193 34 23 PHE HB3 H 2.853 0.021 . 194 34 23 PHE CA C 58.867 0.007 . 195 34 23 PHE CB C 35.821 0.072 . 196 34 23 PHE N N 119.130 0.056 . 197 35 24 PHE H H 8.843 0.018 . 198 35 24 PHE HA H 4.136 0.014 . 199 35 24 PHE HB2 H 2.873 0.018 . 200 35 24 PHE HB3 H 2.620 0.014 . 201 35 24 PHE CA C 60.283 0.000 . 202 35 24 PHE CB C 35.748 0.076 . 203 35 24 PHE N N 116.389 0.071 . 204 36 25 SER H H 8.061 0.025 . 205 36 25 SER HA H 5.078 0.010 . 206 36 25 SER HB2 H 3.880 0.185 . 207 36 25 SER HB3 H 4.047 0.074 . 208 36 25 SER CA C 57.920 0.029 . 209 36 25 SER CB C 60.008 0.196 . 210 36 25 SER N N 114.287 0.095 . 211 37 26 LYS H H 7.273 0.048 . 212 37 26 LYS HA H 4.101 0.024 . 213 37 26 LYS HB2 H 1.398 0.006 . 214 37 26 LYS HB3 H 1.398 0.006 . 215 37 26 LYS HG2 H 1.343 0.020 . 216 37 26 LYS HD2 H 1.568 0.016 . 217 37 26 LYS HE2 H 2.920 0.011 . 218 37 26 LYS CA C 54.472 0.030 . 219 37 26 LYS CB C 28.308 0.020 . 220 37 26 LYS N N 119.839 0.042 . 221 38 27 HIS H H 7.924 0.012 . 222 38 27 HIS HA H 4.679 0.024 . 223 38 27 HIS HB2 H 3.739 0.008 . 224 38 27 HIS HB3 H 3.063 0.007 . 225 38 27 HIS CA C 52.906 0.008 . 226 38 27 HIS CB C 29.321 0.088 . 227 38 27 HIS N N 116.395 0.054 . 228 39 28 GLY H H 7.565 0.023 . 229 39 28 GLY HA2 H 3.949 0.024 . 230 39 28 GLY HA3 H 3.975 0.019 . 231 39 28 GLY CA C 41.417 0.068 . 232 39 28 GLY N N 107.725 0.053 . 233 40 29 THR H H 8.838 0.022 . 234 40 29 THR HA H 4.405 0.029 . 235 40 29 THR HB H 4.314 0.000 . 236 40 29 THR HG2 H 1.186 0.010 . 237 40 29 THR HG2 H 1.186 0.010 . 238 40 29 THR HG2 H 1.186 0.010 . 239 40 29 THR CA C 59.762 0.210 . 240 40 29 THR CB C 64.821 0.085 . 241 40 29 THR N N 116.486 0.043 . 242 41 30 VAL H H 8.814 0.046 . 243 41 30 VAL HA H 3.660 0.016 . 244 41 30 VAL HB H 1.762 0.016 . 245 41 30 VAL HG1 H 0.470 0.015 . 246 41 30 VAL HG1 H 0.470 0.015 . 247 41 30 VAL HG1 H 0.470 0.015 . 248 41 30 VAL HG2 H 0.437 0.021 . 249 41 30 VAL HG2 H 0.437 0.021 . 250 41 30 VAL HG2 H 0.437 0.021 . 251 41 30 VAL CA C 59.339 0.063 . 252 41 30 VAL CB C 30.041 0.029 . 253 41 30 VAL N N 129.449 0.061 . 254 42 31 GLN H H 9.152 0.017 . 255 42 31 GLN HA H 4.218 0.008 . 256 42 31 GLN HB2 H 1.783 0.163 . 257 42 31 GLN HB3 H 1.627 0.020 . 258 42 31 GLN HG2 H 2.118 0.019 . 259 42 31 GLN HG3 H 1.986 0.021 . 260 42 31 GLN CA C 53.824 0.032 . 261 42 31 GLN CB C 26.771 0.100 . 262 42 31 GLN N N 126.853 0.065 . 263 43 32 ALA H H 7.436 0.027 . 264 43 32 ALA HA H 4.136 0.014 . 265 43 32 ALA HB H 0.921 0.016 . 266 43 32 ALA HB H 0.901 0.012 . 267 43 32 ALA HB H 0.882 0.021 . 268 43 32 ALA CA C 49.063 0.027 . 269 43 32 ALA CB C 18.749 0.009 . 270 43 32 ALA N N 118.573 0.091 . 271 44 33 VAL H H 7.600 0.045 . 272 44 33 VAL HA H 4.266 0.007 . 273 44 33 VAL HB H 1.701 0.041 . 274 44 33 VAL HG1 H 0.634 0.101 . 275 44 33 VAL HG2 H 0.468 0.055 . 276 44 33 VAL HG2 H 0.468 0.055 . 277 44 33 VAL HG2 H 0.468 0.055 . 278 44 33 VAL CA C 58.345 0.062 . 279 44 33 VAL CB C 30.676 0.056 . 280 44 33 VAL N N 119.178 0.053 . 281 45 34 TRP H H 9.219 0.015 . 282 45 34 TRP HA H 4.528 0.060 . 283 45 34 TRP HB2 H 3.405 0.017 . 284 45 34 TRP HB3 H 3.212 0.003 . 285 45 34 TRP CA C 57.082 0.064 . 286 45 34 TRP CB C 28.240 0.053 . 287 45 34 TRP N N 125.799 0.050 . 288 46 35 ARG H H 8.662 0.010 . 289 46 35 ARG HA H 4.257 0.014 . 290 46 35 ARG HB2 H 1.869 0.006 . 291 46 35 ARG HB3 H 1.803 0.005 . 292 46 35 ARG HG2 H 0.934 1.108 . 293 46 35 ARG HG3 H 1.422 0.000 . 294 46 35 ARG HD2 H 2.970 0.046 . 295 46 35 ARG CA C 51.237 0.000 . 296 46 35 ARG CB C 27.118 0.092 . 297 46 35 ARG N N 120.805 0.071 . 298 47 36 ARG H H 8.362 0.026 . 299 47 36 ARG HA H 4.510 0.015 . 300 47 36 ARG HB2 H 1.925 0.002 . 301 47 36 ARG HB3 H 1.837 0.005 . 302 47 36 ARG HG2 H 1.684 0.039 . 303 47 36 ARG HG3 H 1.684 0.039 . 304 47 36 ARG HD2 H 2.764 0.026 . 305 47 36 ARG HD3 H 2.764 0.026 . 306 47 36 ARG CA C 51.810 0.023 . 307 47 36 ARG CB C 29.571 0.032 . 308 47 36 ARG N N 119.372 0.128 . 309 48 37 TYR H H 8.696 0.016 . 310 48 37 TYR HA H 5.113 0.180 . 311 48 37 TYR HB2 H 3.198 0.017 . 312 48 37 TYR HB3 H 2.601 0.011 . 313 48 37 TYR CA C 54.200 0.023 . 314 48 37 TYR CB C 38.767 0.041 . 315 48 37 TYR N N 119.784 0.042 . 316 49 38 PHE H H 8.852 0.015 . 317 49 38 PHE HA H 4.637 0.013 . 318 49 38 PHE HB2 H 3.315 0.024 . 319 49 38 PHE HB3 H 2.809 0.006 . 320 49 38 PHE CA C 55.221 0.005 . 321 49 38 PHE CB C 37.172 0.009 . 322 49 38 PHE N N 121.345 0.045 . 323 50 39 ALA H H 8.821 0.005 . 324 50 39 ALA HA H 4.380 0.011 . 325 50 39 ALA HB H 1.506 0.012 . 326 50 39 ALA CA C 49.748 0.024 . 327 50 39 ALA CB C 16.127 0.026 . 328 50 39 ALA N N 126.277 0.062 . 329 51 40 GLY H H 8.453 0.006 . 330 51 40 GLY HA2 H 4.040 0.004 . 331 51 40 GLY HA3 H 3.904 0.044 . 332 51 40 GLY CA C 42.286 0.029 . 333 51 40 GLY N N 108.057 0.049 . 334 52 41 LYS H H 8.164 0.017 . 335 52 41 LYS HA H 4.425 0.011 . 336 52 41 LYS HB2 H 1.944 0.034 . 337 52 41 LYS HB3 H 1.731 0.013 . 338 52 41 LYS HG2 H 1.423 0.011 . 339 52 41 LYS HG3 H 1.423 0.011 . 340 52 41 LYS HD2 H 1.617 0.000 . 341 52 41 LYS HD3 H 1.617 0.000 . 342 52 41 LYS HE2 H 3.206 0.021 . 343 52 41 LYS HE3 H 3.079 0.000 . 344 52 41 LYS CA C 52.636 0.033 . 345 52 41 LYS CB C 29.879 0.007 . 346 52 41 LYS N N 120.636 0.048 . 347 53 42 LYS H H 8.329 0.009 . 348 53 42 LYS HA H 4.005 0.013 . 349 53 42 LYS HB2 H 1.796 0.019 . 350 53 42 LYS HB3 H 1.654 0.004 . 351 53 42 LYS HG2 H 1.404 0.023 . 352 53 42 LYS HG3 H 1.386 0.013 . 353 53 42 LYS HE2 H 2.984 0.004 . 354 53 42 LYS HE3 H 2.984 0.004 . 355 53 42 LYS CA C 55.375 0.032 . 356 53 42 LYS CB C 29.274 0.029 . 357 53 42 LYS N N 120.967 0.803 . 358 54 43 ASP H H 8.426 0.013 . 359 54 43 ASP HA H 4.548 0.011 . 360 54 43 ASP HB2 H 2.725 0.012 . 361 54 43 ASP HB3 H 2.632 0.015 . 362 54 43 ASP CA C 51.027 0.023 . 363 54 43 ASP CB C 37.043 0.049 . 364 54 43 ASP N N 117.278 0.061 . 365 55 44 ALA H H 7.539 0.019 . 366 55 44 ALA HA H 4.592 0.000 . 367 55 44 ALA HB H 1.422 0.013 . 368 55 44 ALA HB H 1.422 0.013 . 369 55 44 ALA HB H 1.422 0.013 . 370 55 44 ALA CA C 47.315 0.000 . 371 55 44 ALA CB C 15.626 0.000 . 372 55 44 ALA N N 124.154 0.040 . 373 57 46 PRO HA H 4.153 0.002 . 374 57 46 PRO HB2 H 2.260 0.005 . 375 57 46 PRO HB3 H 1.942 0.003 . 376 57 46 PRO HG2 H 2.158 0.000 . 377 57 46 PRO HG3 H 2.023 0.000 . 378 57 46 PRO HD2 H 3.846 0.027 . 379 57 46 PRO HD3 H 3.846 0.027 . 380 57 46 PRO CA C 62.487 0.021 . 381 57 46 PRO CB C 28.756 0.036 . 382 57 46 PRO CG C 25.452 0.025 . 383 58 47 GLU H H 9.551 0.015 . 384 58 47 GLU HA H 4.127 0.012 . 385 58 47 GLU HB2 H 2.045 0.011 . 386 58 47 GLU HB3 H 1.876 0.012 . 387 58 47 GLU HG2 H 2.309 0.016 . 388 58 47 GLU HG3 H 2.220 0.012 . 389 58 47 GLU CA C 56.008 0.083 . 390 58 47 GLU CB C 25.326 0.059 . 391 58 47 GLU N N 117.660 0.053 . 392 59 48 SER H H 7.936 0.016 . 393 59 48 SER HA H 4.597 0.013 . 394 59 48 SER HB2 H 3.952 0.009 . 395 59 48 SER HB3 H 3.786 0.007 . 396 59 48 SER CA C 61.224 0.106 . 397 59 48 SER CB C 62.390 0.065 . 398 59 48 SER N N 114.708 0.066 . 399 60 49 ARG H H 7.984 0.009 . 400 60 49 ARG HA H 4.676 0.014 . 401 60 49 ARG HB2 H 2.077 0.019 . 402 60 49 ARG HB3 H 1.938 0.132 . 403 60 49 ARG HG2 H 1.739 0.011 . 404 60 49 ARG HG3 H 1.739 0.011 . 405 60 49 ARG HD2 H 3.206 0.009 . 406 60 49 ARG HD3 H 3.206 0.009 . 407 60 49 ARG CA C 53.319 0.019 . 408 60 49 ARG CB C 28.346 0.030 . 409 60 49 ARG N N 119.933 0.059 . 410 61 50 THR H H 7.919 0.005 . 411 61 50 THR HA H 4.348 0.014 . 412 61 50 THR HB H 4.155 0.023 . 413 61 50 THR HG2 H 1.299 0.018 . 414 61 50 THR HG2 H 1.299 0.018 . 415 61 50 THR CA C 60.483 0.032 . 416 61 50 THR CB C 66.415 0.001 . 417 61 50 THR N N 117.678 0.068 . 418 62 51 LYS H H 8.656 0.015 . 419 62 51 LYS HA H 4.562 0.012 . 420 62 51 LYS HB2 H 1.635 0.018 . 421 62 51 LYS HB3 H 1.635 0.018 . 422 62 51 LYS HG2 H 1.343 0.021 . 423 62 51 LYS HG3 H 1.343 0.021 . 424 62 51 LYS HD2 H 1.468 0.012 . 425 62 51 LYS HD3 H 1.468 0.012 . 426 62 51 LYS HE2 H 2.875 0.003 . 427 62 51 LYS HE3 H 2.875 0.003 . 428 62 51 LYS CA C 52.277 0.000 . 429 62 51 LYS CB C 29.787 0.000 . 430 62 51 LYS N N 125.400 0.060 . 431 63 52 PRO HA H 4.776 0.062 . 432 63 52 PRO HB2 H 2.169 0.009 . 433 63 52 PRO HG2 H 1.897 0.017 . 434 63 52 PRO HD2 H 3.737 0.025 . 435 63 52 PRO CA C 60.317 0.031 . 436 63 52 PRO CB C 28.076 0.000 . 437 63 52 PRO CG C 25.142 0.000 . 438 64 53 SER H H 6.958 0.085 . 439 64 53 SER HA H 3.886 0.693 . 440 64 53 SER HB2 H 3.089 0.015 . 441 64 53 SER HB3 H 3.089 0.015 . 442 64 53 SER CA C 51.633 0.010 . 443 64 53 SER CB C 62.981 0.087 . 444 64 53 SER N N 110.767 0.059 . 445 65 54 VAL H H 8.260 0.011 . 446 65 54 VAL HA H 4.579 0.016 . 447 65 54 VAL HB H 1.962 0.020 . 448 65 54 VAL HG1 H 0.464 0.020 . 449 65 54 VAL HG1 H 0.464 0.020 . 450 65 54 VAL HG1 H 0.464 0.020 . 451 65 54 VAL HG2 H 0.655 0.026 . 452 65 54 VAL HG2 H 0.655 0.026 . 453 65 54 VAL HG2 H 0.655 0.026 . 454 65 54 VAL CA C 55.252 0.042 . 455 65 54 VAL CB C 32.781 0.259 . 456 65 54 VAL N N 110.515 0.054 . 457 66 55 PHE H H 8.241 0.030 . 458 66 55 PHE HA H 5.728 0.188 . 459 66 55 PHE HB2 H 2.807 0.018 . 460 66 55 PHE HB3 H 2.758 0.025 . 461 66 55 PHE CA C 57.604 0.111 . 462 66 55 PHE CB C 38.374 0.030 . 463 66 55 PHE N N 115.655 0.059 . 464 67 56 VAL H H 9.144 0.027 . 465 67 56 VAL HA H 4.071 0.006 . 466 67 56 VAL HB H 1.103 0.033 . 467 67 56 VAL HG1 H 0.712 0.015 . 468 67 56 VAL HG1 H 0.712 0.015 . 469 67 56 VAL HG1 H 0.712 0.015 . 470 67 56 VAL HG2 H 0.584 0.024 . 471 67 56 VAL HG2 H 0.584 0.024 . 472 67 56 VAL HG2 H 0.584 0.024 . 473 67 56 VAL CA C 57.923 0.030 . 474 67 56 VAL CB C 29.866 0.019 . 475 67 56 VAL N N 121.936 0.047 . 476 68 57 VAL H H 8.633 0.015 . 477 68 57 VAL HA H 4.358 0.044 . 478 68 57 VAL HB H 1.936 0.066 . 479 68 57 VAL HG1 H 0.925 0.009 . 480 68 57 VAL HG2 H 0.828 0.007 . 481 68 57 VAL CA C 57.945 0.110 . 482 68 57 VAL CB C 28.834 0.053 . 483 68 57 VAL N N 128.008 0.058 . 484 69 58 PHE H H 8.825 0.019 . 485 69 58 PHE HA H 5.131 0.014 . 486 69 58 PHE HB2 H 3.610 0.036 . 487 69 58 PHE HB3 H 2.932 0.020 . 488 69 58 PHE CA C 58.493 0.010 . 489 69 58 PHE CB C 38.437 0.021 . 490 69 58 PHE N N 126.059 0.061 . 491 70 59 ASN H H 8.530 0.012 . 492 70 59 ASN HA H 4.601 0.013 . 493 70 59 ASN HB2 H 2.967 0.003 . 494 70 59 ASN HB3 H 2.643 0.012 . 495 70 59 ASN CA C 51.499 0.019 . 496 70 59 ASN CB C 37.117 0.031 . 497 70 59 ASN N N 116.074 0.046 . 498 71 60 SER H H 7.608 0.013 . 499 71 60 SER HA H 4.840 0.021 . 500 71 60 SER HB2 H 4.289 0.137 . 501 71 60 SER HB3 H 4.007 0.008 . 502 71 60 SER CA C 53.449 0.028 . 503 71 60 SER CB C 63.595 0.056 . 504 71 60 SER N N 108.047 0.053 . 505 72 61 SER H H 9.495 0.034 . 506 72 61 SER HA H 4.261 0.005 . 507 72 61 SER HB2 H 3.990 0.030 . 508 72 61 SER HB3 H 3.766 0.025 . 509 72 61 SER CA C 58.268 0.024 . 510 72 61 SER CB C 59.440 0.022 . 511 72 61 SER N N 120.588 0.082 . 512 73 62 GLU H H 9.034 0.033 . 513 73 62 GLU HA H 3.883 0.024 . 514 73 62 GLU HB2 H 2.083 0.036 . 515 73 62 GLU HB3 H 1.942 0.018 . 516 73 62 GLU HG2 H 2.346 0.007 . 517 73 62 GLU HG3 H 2.139 0.015 . 518 73 62 GLU CA C 57.567 0.033 . 519 73 62 GLU CB C 25.712 0.186 . 520 73 62 GLU N N 122.754 0.044 . 521 74 63 GLU H H 7.810 0.006 . 522 74 63 GLU HA H 3.979 0.019 . 523 74 63 GLU HB2 H 2.141 0.007 . 524 74 63 GLU HB3 H 1.901 0.019 . 525 74 63 GLU HG2 H 2.365 0.012 . 526 74 63 GLU HG3 H 2.157 0.016 . 527 74 63 GLU CA C 55.717 0.152 . 528 74 63 GLU CB C 27.761 0.079 . 529 74 63 GLU N N 118.951 0.090 . 530 75 64 ALA H H 7.459 0.015 . 531 75 64 ALA HA H 3.560 0.026 . 532 75 64 ALA HB H 1.556 0.012 . 533 75 64 ALA HB H 1.556 0.012 . 534 75 64 ALA CA C 52.121 0.105 . 535 75 64 ALA CB C 15.898 0.027 . 536 75 64 ALA N N 122.556 0.095 . 537 76 65 GLU H H 8.670 0.019 . 538 76 65 GLU HA H 4.350 0.093 . 539 76 65 GLU HB2 H 2.101 0.033 . 540 76 65 GLU HB3 H 2.040 0.008 . 541 76 65 GLU HG2 H 2.657 0.050 . 542 76 65 GLU HG3 H 2.477 0.010 . 543 76 65 GLU CA C 56.032 0.023 . 544 76 65 GLU CB C 26.563 0.081 . 545 76 65 GLU N N 116.535 0.064 . 546 77 66 ALA H H 7.831 0.026 . 547 77 66 ALA HA H 4.042 0.008 . 548 77 66 ALA HB H 1.473 0.014 . 549 77 66 ALA HB H 1.473 0.014 . 550 77 66 ALA HB H 1.473 0.014 . 551 77 66 ALA CA C 51.907 0.063 . 552 77 66 ALA CB C 15.010 0.069 . 553 77 66 ALA N N 120.791 0.153 . 554 78 67 PHE H H 7.434 0.054 . 555 78 67 PHE HA H 3.955 0.018 . 556 78 67 PHE HB2 H 2.945 0.016 . 557 78 67 PHE HB3 H 2.736 0.013 . 558 78 67 PHE CA C 57.923 0.057 . 559 78 67 PHE CB C 36.397 0.157 . 560 78 67 PHE N N 119.057 0.036 . 561 79 68 GLN H H 8.305 0.026 . 562 79 68 GLN HA H 3.554 0.011 . 563 79 68 GLN HB2 H 2.060 0.015 . 564 79 68 GLN HB3 H 1.876 0.018 . 565 79 68 GLN HG2 H 2.502 0.025 . 566 79 68 GLN HG3 H 2.502 0.025 . 567 79 68 GLN CA C 55.932 0.015 . 568 79 68 GLN CB C 24.319 0.017 . 569 79 68 GLN N N 116.449 0.098 . 570 80 69 LYS H H 7.518 0.012 . 571 80 69 LYS HA H 3.919 0.012 . 572 80 69 LYS HB2 H 1.838 0.015 . 573 80 69 LYS HB3 H 1.745 0.013 . 574 80 69 LYS HG2 H 1.538 0.009 . 575 80 69 LYS HG3 H 1.538 0.009 . 576 80 69 LYS HD2 H 1.684 0.003 . 577 80 69 LYS HD3 H 1.684 0.003 . 578 80 69 LYS HE2 H 2.995 0.014 . 579 80 69 LYS HE3 H 2.995 0.014 . 580 80 69 LYS CA C 54.620 0.015 . 581 80 69 LYS CB C 30.091 0.023 . 582 80 69 LYS N N 113.582 0.059 . 583 81 70 ALA H H 6.992 0.027 . 584 81 70 ALA HA H 3.518 0.002 . 585 81 70 ALA HB H 1.186 0.002 . 586 81 70 ALA CA C 46.791 0.000 . 587 81 70 ALA CB C 15.574 0.000 . 588 81 70 ALA N N 120.727 0.068 . 589 83 72 PRO HA H 4.808 0.004 . 590 83 72 PRO HB2 H 2.303 0.015 . 591 83 72 PRO HG2 H 1.966 0.012 . 592 83 72 PRO HD2 H 3.871 0.003 . 593 83 72 PRO CA C 58.944 0.003 . 594 83 72 PRO CB C 30.091 0.000 . 595 83 72 PRO CG C 27.452 0.000 . 596 84 73 MET H H 8.047 0.027 . 597 84 73 MET HA H 4.850 0.010 . 598 84 73 MET HB2 H 2.233 0.347 . 599 84 73 MET HB3 H 1.736 0.022 . 600 84 73 MET HG2 H 2.586 0.012 . 601 84 73 MET HG3 H 2.410 0.004 . 602 84 73 MET HE H 2.164 0.000 . 603 84 73 MET CA C 51.799 0.066 . 604 84 73 MET CB C 30.683 0.165 . 605 84 73 MET N N 113.962 0.054 . 606 85 74 TYR H H 9.033 0.023 . 607 85 74 TYR HA H 4.394 0.033 . 608 85 74 TYR HB2 H 2.911 0.024 . 609 85 74 TYR HB3 H 2.011 0.009 . 610 85 74 TYR HE1 H 6.811 0.004 . 611 85 74 TYR HE2 H 6.811 0.004 . 612 85 74 TYR CA C 53.611 0.005 . 613 85 74 TYR CB C 36.882 0.073 . 614 85 74 TYR N N 124.010 0.057 . 615 86 75 ASP H H 8.542 0.047 . 616 86 75 ASP HA H 4.011 0.012 . 617 86 75 ASP HB2 H 2.562 0.028 . 618 86 75 ASP HB3 H 2.465 0.020 . 619 86 75 ASP CA C 53.353 0.003 . 620 86 75 ASP CB C 35.865 0.004 . 621 86 75 ASP N N 129.401 0.090 . 622 87 76 ASP H H 8.602 0.057 . 623 87 76 ASP HA H 4.402 0.010 . 624 87 76 ASP HB2 H 2.821 0.018 . 625 87 76 ASP HB3 H 2.712 0.013 . 626 87 76 ASP CA C 52.056 0.044 . 627 87 76 ASP CB C 36.842 0.012 . 628 87 76 ASP N N 113.301 0.078 . 629 88 77 VAL H H 7.846 0.019 . 630 88 77 VAL HA H 4.180 0.009 . 631 88 77 VAL HB H 2.164 0.006 . 632 88 77 VAL HG1 H 0.968 0.024 . 633 88 77 VAL HG1 H 0.968 0.024 . 634 88 77 VAL HG1 H 0.968 0.024 . 635 88 77 VAL HG2 H 0.912 0.028 . 636 88 77 VAL HG2 H 0.912 0.028 . 637 88 77 VAL HG2 H 0.912 0.028 . 638 88 77 VAL CA C 58.329 0.084 . 639 88 77 VAL CB C 31.093 0.045 . 640 88 77 VAL N N 121.110 0.126 . 641 89 78 GLN H H 8.738 0.016 . 642 89 78 GLN HA H 4.049 0.012 . 643 89 78 GLN HB2 H 1.989 0.006 . 644 89 78 GLN HB3 H 1.989 0.006 . 645 89 78 GLN HG2 H 2.278 0.012 . 646 89 78 GLN HG3 H 2.278 0.012 . 647 89 78 GLN CA C 53.007 0.046 . 648 89 78 GLN CB C 25.903 0.034 . 649 89 78 GLN N N 127.267 0.055 . 650 90 79 LEU H H 7.578 0.026 . 651 90 79 LEU HA H 4.794 0.050 . 652 90 79 LEU HB2 H 2.005 0.035 . 653 90 79 LEU HB3 H 1.905 0.024 . 654 90 79 LEU HG H 1.864 0.002 . 655 90 79 LEU HD1 H 0.988 0.009 . 656 90 79 LEU HD2 H 0.669 0.013 . 657 90 79 LEU CA C 52.318 0.081 . 658 90 79 LEU CB C 39.360 0.049 . 659 90 79 LEU N N 128.061 0.061 . 660 91 80 THR H H 9.483 0.017 . 661 91 80 THR HA H 4.581 0.018 . 662 91 80 THR HB H 4.205 0.010 . 663 91 80 THR HG2 H 1.257 0.033 . 664 91 80 THR CA C 58.214 0.091 . 665 91 80 THR CB C 67.770 0.025 . 666 91 80 THR N N 115.883 0.047 . 667 92 81 ALA H H 8.760 0.019 . 668 92 81 ALA HA H 4.436 0.000 . 669 92 81 ALA HB H 1.467 0.021 . 670 92 81 ALA HB H 0.936 0.016 . 671 92 81 ALA HB H 0.758 0.015 . 672 92 81 ALA CA C 47.214 0.030 . 673 92 81 ALA CB C 21.094 0.016 . 674 92 81 ALA N N 123.608 0.052 . 675 93 82 GLU H H 9.285 0.038 . 676 93 82 GLU HA H 4.787 0.021 . 677 93 82 GLU HB2 H 2.337 0.024 . 678 93 82 GLU HB3 H 2.292 0.020 . 679 93 82 GLU HG2 H 2.461 0.004 . 680 93 82 GLU HG3 H 2.461 0.004 . 681 93 82 GLU CA C 51.691 0.050 . 682 93 82 GLU CB C 32.467 0.044 . 683 93 82 GLU N N 122.636 0.070 . 684 94 83 MET H H 9.579 0.021 . 685 94 83 MET HA H 4.899 0.068 . 686 94 83 MET HB2 H 2.126 0.027 . 687 94 83 MET HB3 H 1.962 0.022 . 688 94 83 MET HG2 H 3.112 0.012 . 689 94 83 MET HG3 H 3.072 0.010 . 690 94 83 MET HE H 2.119 0.000 . 691 94 83 MET HE H 2.503 0.006 . 692 94 83 MET HE H 2.119 0.000 . 693 94 83 MET CA C 51.642 0.012 . 694 94 83 MET CB C 30.564 0.028 . 695 94 83 MET N N 124.333 0.082 . 696 95 84 LYS H H 8.996 0.012 . 697 95 84 LYS HA H 4.027 0.020 . 698 95 84 LYS HB2 H 1.501 0.023 . 699 95 84 LYS HB3 H 1.477 0.016 . 700 95 84 LYS HG2 H 1.200 0.008 . 701 95 84 LYS HG3 H 1.200 0.008 . 702 95 84 LYS HD2 H 1.556 0.003 . 703 95 84 LYS HD3 H 1.556 0.003 . 704 95 84 LYS HE2 H 3.119 0.007 . 705 95 84 LYS HE3 H 3.119 0.007 . 706 95 84 LYS CA C 57.979 0.015 . 707 95 84 LYS CB C 29.857 0.100 . 708 95 84 LYS N N 124.264 0.086 . 709 96 85 THR H H 9.131 0.022 . 710 96 85 THR HA H 4.085 0.002 . 711 96 85 THR HB H 3.875 0.016 . 712 96 85 THR HG2 H 1.146 0.016 . 713 96 85 THR CA C 63.030 0.013 . 714 96 85 THR CB C 64.727 0.004 . 715 96 85 THR N N 110.387 0.100 . 716 97 86 THR H H 6.904 0.064 . 717 97 86 THR HA H 4.418 0.020 . 718 97 86 THR HB H 4.012 0.001 . 719 97 86 THR HG2 H 1.391 0.011 . 720 97 86 THR CA C 62.628 0.072 . 721 97 86 THR CB C 65.219 0.374 . 722 97 86 THR N N 118.645 0.043 . 723 98 87 TYR H H 8.380 0.016 . 724 98 87 TYR HA H 4.060 0.005 . 725 98 87 TYR HB2 H 3.128 0.022 . 726 98 87 TYR HB3 H 2.780 0.023 . 727 98 87 TYR CA C 58.284 0.070 . 728 98 87 TYR CB C 34.781 0.068 . 729 98 87 TYR N N 124.790 0.069 . 730 99 88 LEU H H 8.498 0.016 . 731 99 88 LEU HA H 3.907 0.464 . 732 99 88 LEU HB2 H 1.910 0.035 . 733 99 88 LEU HG H 1.683 0.002 . 734 99 88 LEU HD1 H 0.889 0.013 . 735 99 88 LEU HD2 H 0.762 0.015 . 736 99 88 LEU HD2 H 0.762 0.015 . 737 99 88 LEU HD2 H 0.762 0.015 . 738 99 88 LEU CA C 54.574 0.108 . 739 99 88 LEU CB C 38.259 0.041 . 740 99 88 LEU N N 118.091 0.062 . 741 100 89 GLU H H 7.826 0.021 . 742 100 89 GLU HA H 3.984 0.004 . 743 100 89 GLU HB2 H 2.185 0.038 . 744 100 89 GLU HB3 H 2.037 0.017 . 745 100 89 GLU HG2 H 2.484 0.016 . 746 100 89 GLU HG3 H 2.358 0.022 . 747 100 89 GLU CA C 56.147 0.051 . 748 100 89 GLU CB C 26.315 0.034 . 749 100 89 GLU N N 120.138 0.164 . 750 101 90 ARG H H 8.117 0.021 . 751 101 90 ARG HA H 4.127 0.003 . 752 101 90 ARG HB2 H 1.777 0.028 . 753 101 90 ARG HB3 H 1.744 0.027 . 754 101 90 ARG HG2 H 1.664 0.003 . 755 101 90 ARG HG3 H 1.550 0.002 . 756 101 90 ARG HD2 H 3.228 0.061 . 757 101 90 ARG HD3 H 3.228 0.061 . 758 101 90 ARG CA C 56.052 0.010 . 759 101 90 ARG CB C 26.222 0.012 . 760 101 90 ARG N N 121.335 0.065 . 761 102 91 LYS H H 8.081 0.022 . 762 102 91 LYS HA H 3.884 0.015 . 763 102 91 LYS HB2 H 1.578 0.016 . 764 102 91 LYS HB3 H 1.516 0.012 . 765 102 91 LYS HG2 H 0.939 0.011 . 766 102 91 LYS HG3 H 0.884 0.004 . 767 102 91 LYS HD2 H 1.409 0.002 . 768 102 91 LYS HD3 H 1.409 0.002 . 769 102 91 LYS HE2 H 2.935 0.008 . 770 102 91 LYS HE3 H 2.935 0.008 . 771 102 91 LYS CA C 53.780 0.042 . 772 102 91 LYS CB C 26.755 0.047 . 773 102 91 LYS N N 119.320 0.073 . 774 103 92 ALA H H 7.689 0.019 . 775 103 92 ALA HA H 4.099 0.015 . 776 103 92 ALA HB H 1.468 0.012 . 777 103 92 ALA CA C 51.470 0.097 . 778 103 92 ALA CB C 14.898 0.031 . 779 103 92 ALA N N 121.103 0.075 . 780 104 93 GLU H H 7.814 0.003 . 781 104 93 GLU HA H 4.101 0.004 . 782 104 93 GLU HB2 H 2.127 0.013 . 783 104 93 GLU HB3 H 2.003 0.004 . 784 104 93 GLU HG2 H 2.406 0.010 . 785 104 93 GLU HG3 H 2.267 0.012 . 786 104 93 GLU CA C 55.331 0.049 . 787 104 93 GLU CB C 26.544 0.103 . 788 104 93 GLU N N 119.205 0.057 . 789 105 94 GLU H H 7.981 0.025 . 790 105 94 GLU HA H 4.064 0.000 . 791 105 94 GLU HB2 H 2.110 0.019 . 792 105 94 GLU HB3 H 1.993 0.025 . 793 105 94 GLU HG2 H 2.471 0.020 . 794 105 94 GLU HG3 H 2.192 0.012 . 795 105 94 GLU CA C 55.333 0.026 . 796 105 94 GLU CB C 26.644 0.083 . 797 105 94 GLU N N 120.222 0.060 . 798 106 95 ILE H H 7.793 0.006 . 799 106 95 ILE HA H 3.971 0.017 . 800 106 95 ILE HB H 1.918 0.013 . 801 106 95 ILE HG12 H 1.584 0.003 . 802 106 95 ILE HG13 H 1.252 0.008 . 803 106 95 ILE HG2 H 0.926 0.007 . 804 106 95 ILE HD1 H 0.857 0.000 . 805 106 95 ILE CA C 59.731 0.028 . 806 106 95 ILE CB C 35.159 0.000 . 807 106 95 ILE N N 118.930 0.094 . 808 107 96 ALA H H 7.816 0.003 . 809 107 96 ALA HA H 4.213 0.011 . 810 107 96 ALA HB H 1.450 0.010 . 811 107 96 ALA CA C 50.311 0.024 . 812 107 96 ALA CB C 15.709 0.057 . 813 107 96 ALA N N 124.444 0.064 . 814 108 97 ALA H H 7.811 0.034 . 815 108 97 ALA HA H 4.267 0.004 . 816 108 97 ALA HB H 1.539 0.143 . 817 108 97 ALA HB H 1.436 0.000 . 818 108 97 ALA HB H 1.322 0.000 . 819 108 97 ALA CA C 49.694 0.096 . 820 108 97 ALA CB C 15.928 0.054 . 821 108 97 ALA N N 120.903 0.084 . 822 109 98 LYS H H 7.844 0.003 . 823 109 98 LYS HA H 4.291 0.007 . 824 109 98 LYS HB2 H 1.866 0.063 . 825 109 98 LYS HB3 H 1.823 0.028 . 826 109 98 LYS HG2 H 1.482 0.021 . 827 109 98 LYS HG3 H 1.482 0.021 . 828 109 98 LYS HD2 H 1.695 0.000 . 829 109 98 LYS HD3 H 1.695 0.000 . 830 109 98 LYS HE2 H 3.017 0.014 . 831 109 98 LYS HE3 H 3.017 0.014 . 832 109 98 LYS CA C 53.407 0.057 . 833 109 98 LYS CB C 29.638 0.043 . 834 109 98 LYS N N 120.228 0.057 . 835 110 99 LYS H H 7.845 0.003 . 836 110 99 LYS HB2 H 1.940 0.026 . 837 110 99 LYS HB3 H 1.912 0.022 . 838 110 99 LYS HG2 H 1.456 0.011 . 839 110 99 LYS HG3 H 1.456 0.011 . 840 110 99 LYS HD2 H 1.695 0.002 . 841 110 99 LYS HD3 H 1.695 0.002 . 842 110 99 LYS HE2 H 3.052 0.006 . 843 110 99 LYS HE3 H 3.052 0.006 . 844 110 99 LYS CA C 54.742 0.000 . 845 110 99 LYS CB C 30.372 0.000 . 846 110 99 LYS N N 127.920 0.065 . stop_ save_