data_27349 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C, 15N chemical shift assignments of initiation factor 1 from Clostridium difficile ; _BMRB_accession_number 27349 _BMRB_flat_file_name bmr27349.str _Entry_type original _Submission_date 2017-12-26 _Accession_date 2017-12-26 _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 Zhang Yonghong . . 2 Aguilar Faith . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 423 "13C chemical shifts" 300 "15N chemical shifts" 74 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2019-04-25 update BMRB 'update entry citation' 2019-01-10 original author 'original release' stop_ _Original_release_date 2017-12-26 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; 1H, 13C, 15N chemical shift assignments of initiation factor 1 from Clostridium difficile ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 30370502 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Aguilar Faith . . 2 Banaei Niaz . . 3 Zhang Yonghong . . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_volume 13 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 91 _Page_last 95 _Year 2019 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'C. difficile IF1' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'C. difficile IF1' $C_difficile_IF1 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_C_difficile_IF1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common C_difficile_IF1 _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 83 _Mol_residue_sequence ; MASMAKKDVIELEGTVSEAL PNAMFKVKLENGHEILCHIS GKLRMNFIRILEGDKVNVEL SPYDLTRGRITWRKKLEHHH HHH ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -2 MET 2 -1 ALA 3 0 SER 4 1 MET 5 2 ALA 6 3 LYS 7 4 LYS 8 5 ASP 9 6 VAL 10 7 ILE 11 8 GLU 12 9 LEU 13 10 GLU 14 11 GLY 15 12 THR 16 13 VAL 17 14 SER 18 15 GLU 19 16 ALA 20 17 LEU 21 18 PRO 22 19 ASN 23 20 ALA 24 21 MET 25 22 PHE 26 23 LYS 27 24 VAL 28 25 LYS 29 26 LEU 30 27 GLU 31 28 ASN 32 29 GLY 33 30 HIS 34 31 GLU 35 32 ILE 36 33 LEU 37 34 CYS 38 35 HIS 39 36 ILE 40 37 SER 41 38 GLY 42 39 LYS 43 40 LEU 44 41 ARG 45 42 MET 46 43 ASN 47 44 PHE 48 45 ILE 49 46 ARG 50 47 ILE 51 48 LEU 52 49 GLU 53 50 GLY 54 51 ASP 55 52 LYS 56 53 VAL 57 54 ASN 58 55 VAL 59 56 GLU 60 57 LEU 61 58 SER 62 59 PRO 63 60 TYR 64 61 ASP 65 62 LEU 66 63 THR 67 64 ARG 68 65 GLY 69 66 ARG 70 67 ILE 71 68 THR 72 69 TRP 73 70 ARG 74 71 LYS 75 72 LYS 76 73 LEU 77 74 GLU 78 75 HIS 79 76 HIS 80 77 HIS 81 78 HIS 82 79 HIS 83 80 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 $C_difficile_IF1 'Clostridium difficile' 1496 Bacteria . Clostridium difficile 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 $C_difficile_IF1 'recombinant technology' . Escherichia coli . pET24b 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 $C_difficile_IF1 1 mM '[U-99% 15N]' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $C_difficile_IF1 1 mM '[U-99% 13C; U-99% 15N]' stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $C_difficile_IF1 1 mM '[U-99% 13C; U-99% 15N]' 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_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AMX _Field_strength 600 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _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_CBCA(CO)NH_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_2 save_ save_3D_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_2 save_ save_3D_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_2 save_ save_3D_HBHA(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_2 save_ save_2D_1H-13C_HSQC_aliphatic_6 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic' _Sample_label $sample_3 save_ save_3D_HCCH-TOCSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_3 save_ save_3D_1H-13C_NOESY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_3 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.12 . M pH 5.1 . 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 CBCA(CO)NH' '3D HNCACB' stop_ loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'C. difficile IF1' _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 4 MET H H 8.595 0.00 1 2 1 4 MET HA H 4.563 0.00 1 3 1 4 MET HB2 H 2.095 0.00 2 4 1 4 MET HG2 H 2.622 0.00 2 5 1 4 MET HE H 2.087 0.00 1 6 1 4 MET C C 175.637 0.00 1 7 1 4 MET CA C 55.920 0.00 1 8 1 4 MET CB C 33.120 0.00 1 9 1 4 MET CG C 31.802 0.00 1 10 1 4 MET CE C 16.886 0.00 1 11 1 4 MET N N 123.108 0.00 1 12 2 5 ALA H H 8.476 0.00 1 13 2 5 ALA HA H 4.335 0.00 1 14 2 5 ALA HB H 1.379 0.02 1 15 2 5 ALA C C 177.594 0.00 1 16 2 5 ALA CA C 52.631 0.01 1 17 2 5 ALA CB C 19.197 0.06 1 18 2 5 ALA N N 126.309 0.07 1 19 3 6 LYS H H 8.355 0.00 1 20 3 6 LYS HA H 4.293 0.02 1 21 3 6 LYS HB2 H 1.818 0.00 2 22 3 6 LYS HE2 H 2.985 0.00 2 23 3 6 LYS C C 176.551 0.00 1 24 3 6 LYS CA C 56.326 0.16 1 25 3 6 LYS CB C 33.034 0.07 1 26 3 6 LYS N N 121.358 0.03 1 27 4 7 LYS H H 8.381 0.00 1 28 4 7 LYS HA H 4.370 0.02 1 29 4 7 LYS HB2 H 1.831 0.02 2 30 4 7 LYS HB3 H 1.811 0.00 2 31 4 7 LYS HE2 H 2.981 0.00 2 32 4 7 LYS C C 176.096 0.00 1 33 4 7 LYS CA C 56.248 0.11 1 34 4 7 LYS CB C 33.186 0.08 1 35 4 7 LYS N N 122.408 0.03 1 36 5 8 ASP H H 8.436 0.00 1 37 5 8 ASP HA H 4.638 0.02 1 38 5 8 ASP HB2 H 2.717 0.01 2 39 5 8 ASP HB3 H 2.739 0.00 2 40 5 8 ASP C C 175.262 0.00 1 41 5 8 ASP CA C 54.524 0.10 1 42 5 8 ASP CB C 41.045 0.04 1 43 5 8 ASP N N 121.296 0.04 1 44 6 9 VAL H H 7.753 0.00 1 45 6 9 VAL HA H 4.553 0.01 1 46 6 9 VAL HB H 2.021 0.02 1 47 6 9 VAL HG1 H 0.855 0.02 2 48 6 9 VAL HG2 H 0.847 0.00 2 49 6 9 VAL C C 175.028 0.00 1 50 6 9 VAL CA C 61.038 0.21 1 51 6 9 VAL CB C 34.763 0.15 1 52 6 9 VAL CG1 C 19.736 0.06 2 53 6 9 VAL CG2 C 21.574 0.08 2 54 6 9 VAL N N 115.777 0.02 1 55 7 10 ILE H H 8.788 0.01 1 56 7 10 ILE HA H 4.368 0.02 1 57 7 10 ILE HB H 1.740 0.01 1 58 7 10 ILE HG12 H 1.392 0.01 2 59 7 10 ILE HG13 H 0.967 0.00 2 60 7 10 ILE HG2 H 0.843 0.00 1 61 7 10 ILE HG2 H 0.849 0.00 1 62 7 10 ILE HG2 H 0.840 0.00 1 63 7 10 ILE HD1 H 0.770 0.00 1 64 7 10 ILE HD1 H 0.760 0.00 1 65 7 10 ILE HD1 H 0.767 0.00 1 66 7 10 ILE C C 174.343 0.00 1 67 7 10 ILE CA C 60.333 0.20 1 68 7 10 ILE CB C 40.417 0.03 1 69 7 10 ILE CG1 C 27.173 0.07 1 70 7 10 ILE CG2 C 17.579 0.05 1 71 7 10 ILE CD1 C 13.386 0.01 1 72 7 10 ILE N N 123.314 0.02 1 73 8 11 GLU H H 8.266 0.01 1 74 8 11 GLU HA H 5.396 0.02 1 75 8 11 GLU HB2 H 1.890 0.00 2 76 8 11 GLU HB3 H 2.147 0.00 2 77 8 11 GLU HG2 H 2.250 0.01 2 78 8 11 GLU HG3 H 2.324 0.00 2 79 8 11 GLU C C 175.745 0.00 1 80 8 11 GLU CA C 54.214 0.14 1 81 8 11 GLU CB C 30.504 0.04 1 82 8 11 GLU CG C 34.590 0.00 1 83 8 11 GLU N N 123.459 0.06 1 84 9 12 LEU H H 9.059 0.00 1 85 9 12 LEU HA H 4.751 0.01 1 86 9 12 LEU HB2 H 1.439 0.01 2 87 9 12 LEU HB3 H 1.652 0.01 2 88 9 12 LEU HG H 1.475 0.01 1 89 9 12 LEU HD1 H 0.841 0.00 2 90 9 12 LEU HD2 H 0.944 0.01 2 91 9 12 LEU C C 174.823 0.00 1 92 9 12 LEU CA C 53.448 0.13 1 93 9 12 LEU CB C 47.028 0.02 1 94 9 12 LEU CG C 27.238 0.00 1 95 9 12 LEU CD1 C 26.744 0.00 2 96 9 12 LEU CD2 C 23.643 0.00 2 97 9 12 LEU N N 125.039 0.04 1 98 10 13 GLU H H 8.555 0.00 1 99 10 13 GLU HA H 5.135 0.01 1 100 10 13 GLU HB2 H 2.004 0.01 2 101 10 13 GLU HB3 H 2.042 0.00 2 102 10 13 GLU HG2 H 2.279 0.00 2 103 10 13 GLU HG3 H 2.296 0.00 2 104 10 13 GLU C C 176.039 0.00 1 105 10 13 GLU CA C 55.096 0.14 1 106 10 13 GLU CB C 31.752 0.01 1 107 10 13 GLU CG C 36.750 0.00 1 108 10 13 GLU N N 120.061 0.03 1 109 11 14 GLY H H 8.694 0.01 1 110 11 14 GLY HA2 H 3.410 0.02 2 111 11 14 GLY HA3 H 4.761 0.01 2 112 11 14 GLY C C 171.436 0.00 1 113 11 14 GLY CA C 45.337 0.05 1 114 11 14 GLY N N 107.806 0.02 1 115 12 15 THR H H 8.419 0.00 1 116 12 15 THR HA H 5.197 0.01 1 117 12 15 THR HB H 3.822 0.02 1 118 12 15 THR HG2 H 1.073 0.01 1 119 12 15 THR HG2 H 1.095 0.00 1 120 12 15 THR HG2 H 1.101 0.00 1 121 12 15 THR C C 174.604 0.00 1 122 12 15 THR CA C 60.711 0.07 1 123 12 15 THR CB C 71.177 0.12 1 124 12 15 THR CG2 C 20.791 0.00 1 125 12 15 THR N N 115.436 0.05 1 126 13 16 VAL H H 9.210 0.00 1 127 13 16 VAL HA H 3.953 0.01 1 128 13 16 VAL HB H 2.318 0.01 1 129 13 16 VAL HG1 H 0.737 0.01 2 130 13 16 VAL HG1 H 0.716 0.00 2 131 13 16 VAL HG1 H 0.721 0.00 2 132 13 16 VAL HG2 H 0.925 0.02 2 133 13 16 VAL HG2 H 0.902 0.01 2 134 13 16 VAL HG2 H 0.909 0.00 2 135 13 16 VAL C C 175.767 0.00 1 136 13 16 VAL CA C 64.566 0.10 1 137 13 16 VAL CB C 31.385 0.04 1 138 13 16 VAL CG1 C 22.424 0.02 2 139 13 16 VAL CG2 C 22.294 0.01 2 140 13 16 VAL N N 127.058 0.03 1 141 14 17 SER H H 9.593 0.01 1 142 14 17 SER HA H 4.665 0.01 1 143 14 17 SER HB2 H 3.727 0.03 2 144 14 17 SER HB3 H 3.853 0.02 2 145 14 17 SER C C 174.969 0.00 1 146 14 17 SER CA C 58.818 0.17 1 147 14 17 SER CB C 64.373 0.17 1 148 14 17 SER N N 128.199 0.06 1 149 15 18 GLU H H 7.646 0.00 1 150 15 18 GLU HA H 4.617 0.02 1 151 15 18 GLU HB2 H 1.867 0.01 2 152 15 18 GLU HB3 H 1.962 0.00 2 153 15 18 GLU HG2 H 2.200 0.02 2 154 15 18 GLU HG3 H 2.368 0.00 2 155 15 18 GLU C C 173.943 0.00 1 156 15 18 GLU CA C 56.441 0.12 1 157 15 18 GLU CB C 34.050 0.03 1 158 15 18 GLU CG C 35.283 0.00 1 159 15 18 GLU N N 119.443 0.03 1 160 16 19 ALA H H 9.461 0.00 1 161 16 19 ALA HA H 4.544 0.01 1 162 16 19 ALA HB H 1.432 0.01 1 163 16 19 ALA C C 175.694 0.00 1 164 16 19 ALA CA C 51.803 0.17 1 165 16 19 ALA CB C 19.289 0.04 1 166 16 19 ALA N N 130.664 0.03 1 167 17 20 LEU H H 7.985 0.00 1 168 17 20 LEU HA H 4.672 0.01 1 169 17 20 LEU HB2 H 1.234 0.00 2 170 17 20 LEU HB3 H 1.479 0.00 2 171 17 20 LEU HG H 1.324 0.02 1 172 17 20 LEU HD1 H 0.697 0.00 2 173 17 20 LEU HD2 H 0.792 0.01 2 174 17 20 LEU CA C 53.071 0.08 1 175 17 20 LEU CB C 42.081 0.04 1 176 17 20 LEU CG C 27.695 0.00 1 177 17 20 LEU CD1 C 26.039 0.06 2 178 17 20 LEU CD2 C 23.095 0.02 2 179 17 20 LEU N N 125.434 0.06 1 180 18 21 PRO HA H 4.361 0.01 1 181 18 21 PRO HB2 H 1.688 0.01 2 182 18 21 PRO HB3 H 2.194 0.19 2 183 18 21 PRO HG2 H 1.973 0.02 2 184 18 21 PRO HD2 H 3.460 0.00 2 185 18 21 PRO HD3 H 3.749 0.01 2 186 18 21 PRO C C 176.082 0.00 1 187 18 21 PRO CA C 63.109 0.07 1 188 18 21 PRO CB C 32.145 0.00 1 189 18 21 PRO CG C 27.861 0.07 1 190 19 22 ASN H H 8.766 0.01 1 191 19 22 ASN HA H 4.264 0.02 1 192 19 22 ASN HB2 H 2.798 0.00 2 193 19 22 ASN HB3 H 2.875 0.01 2 194 19 22 ASN C C 174.249 0.00 1 195 19 22 ASN CA C 54.087 0.14 1 196 19 22 ASN CB C 36.827 0.06 1 197 19 22 ASN N N 115.353 0.03 1 198 20 23 ALA H H 8.471 0.00 1 199 20 23 ALA HA H 3.856 0.01 1 200 20 23 ALA HB H 1.468 0.02 1 201 20 23 ALA C C 175.041 0.00 1 202 20 23 ALA CA C 52.876 0.16 1 203 20 23 ALA CB C 16.471 0.02 1 204 20 23 ALA N N 116.105 0.04 1 205 21 24 MET H H 6.290 0.00 1 206 21 24 MET HA H 5.262 0.01 1 207 21 24 MET HB2 H 1.745 0.01 2 208 21 24 MET HB3 H 1.775 0.00 2 209 21 24 MET HG2 H 2.252 0.02 2 210 21 24 MET HG3 H 2.529 0.01 2 211 21 24 MET HE H 1.887 0.00 1 212 21 24 MET HE H 1.882 0.00 1 213 21 24 MET HE H 1.886 0.00 1 214 21 24 MET C C 175.439 0.00 1 215 21 24 MET CA C 52.776 0.10 1 216 21 24 MET CB C 34.400 0.04 1 217 21 24 MET CG C 31.908 0.00 1 218 21 24 MET CE C 16.262 0.03 1 219 21 24 MET N N 113.795 0.03 1 220 22 25 PHE H H 8.830 0.01 1 221 22 25 PHE HA H 5.143 0.01 1 222 22 25 PHE HB2 H 2.301 0.01 2 223 22 25 PHE HB3 H 2.888 0.01 2 224 22 25 PHE HD1 H 6.877 0.00 3 225 22 25 PHE HD2 H 6.916 0.02 3 226 22 25 PHE HE1 H 7.092 0.00 3 227 22 25 PHE HE2 H 7.092 0.00 3 228 22 25 PHE C C 175.334 0.00 1 229 22 25 PHE CA C 56.882 0.13 1 230 22 25 PHE CB C 43.765 0.05 1 231 22 25 PHE N N 116.263 0.02 1 232 23 26 LYS H H 9.223 0.00 1 233 23 26 LYS HA H 5.136 0.03 1 234 23 26 LYS HB2 H 1.719 0.01 2 235 23 26 LYS HB3 H 1.744 0.00 2 236 23 26 LYS HG2 H 1.369 0.01 2 237 23 26 LYS HG3 H 1.336 0.02 2 238 23 26 LYS C C 176.001 0.00 1 239 23 26 LYS CA C 55.940 0.15 1 240 23 26 LYS CB C 33.939 0.03 1 241 23 26 LYS CG C 25.678 0.00 1 242 23 26 LYS CD C 29.079 0.00 1 243 23 26 LYS N N 123.621 0.04 1 244 24 27 VAL H H 9.104 0.00 1 245 24 27 VAL HA H 4.540 0.01 1 246 24 27 VAL HB H 1.777 0.01 1 247 24 27 VAL HG1 H 0.510 0.02 2 248 24 27 VAL HG2 H 0.770 0.01 2 249 24 27 VAL C C 173.587 0.00 1 250 24 27 VAL CA C 60.777 0.08 1 251 24 27 VAL CB C 35.445 0.09 1 252 24 27 VAL CG1 C 21.131 0.00 2 253 24 27 VAL CG2 C 23.270 0.15 2 254 24 27 VAL N N 125.614 0.03 1 255 25 28 LYS H H 9.093 0.01 1 256 25 28 LYS HA H 4.694 0.01 1 257 25 28 LYS HB2 H 1.661 0.01 2 258 25 28 LYS HB3 H 1.886 0.02 2 259 25 28 LYS HG2 H 1.296 0.00 2 260 25 28 LYS HG3 H 1.443 0.00 2 261 25 28 LYS C C 176.721 0.00 1 262 25 28 LYS CA C 55.091 0.11 1 263 25 28 LYS CB C 33.241 0.03 1 264 25 28 LYS N N 127.887 0.02 1 265 26 29 LEU H H 8.998 0.00 1 266 26 29 LEU HA H 4.731 0.01 1 267 26 29 LEU HB2 H 1.603 0.02 2 268 26 29 LEU HB3 H 2.306 0.01 2 269 26 29 LEU HG H 1.716 0.00 1 270 26 29 LEU HD1 H 0.880 0.01 2 271 26 29 LEU HD2 H 0.634 0.02 2 272 26 29 LEU C C 179.196 0.00 1 273 26 29 LEU CA C 54.429 0.20 1 274 26 29 LEU CB C 42.867 0.02 1 275 26 29 LEU CD1 C 25.809 0.11 2 276 26 29 LEU CD2 C 22.145 0.07 2 277 26 29 LEU N N 127.927 0.02 1 278 27 30 GLU H H 8.959 0.00 1 279 27 30 GLU HA H 4.135 0.01 1 280 27 30 GLU HB2 H 2.167 0.01 2 281 27 30 GLU HB3 H 2.141 0.02 2 282 27 30 GLU C C 176.511 0.00 1 283 27 30 GLU CA C 58.698 0.11 1 284 27 30 GLU CB C 29.059 0.05 1 285 27 30 GLU CG C 36.316 0.00 1 286 27 30 GLU N N 120.753 0.05 1 287 28 31 ASN H H 7.379 0.00 1 288 28 31 ASN HA H 4.618 0.02 1 289 28 31 ASN HB2 H 2.782 0.00 2 290 28 31 ASN HB3 H 3.259 0.01 2 291 28 31 ASN C C 176.369 0.00 1 292 28 31 ASN CA C 52.541 0.11 1 293 28 31 ASN CB C 37.381 0.01 1 294 28 31 ASN N N 114.139 0.05 1 295 29 32 GLY H H 8.159 0.00 1 296 29 32 GLY HA2 H 3.580 0.02 2 297 29 32 GLY HA3 H 4.321 0.02 2 298 29 32 GLY C C 174.523 0.00 1 299 29 32 GLY CA C 45.156 0.10 1 300 29 32 GLY N N 107.374 0.02 1 301 30 33 HIS H H 8.050 0.02 1 302 30 33 HIS HA H 4.677 0.01 1 303 30 33 HIS HB2 H 3.211 0.02 2 304 30 33 HIS HB3 H 3.135 0.00 2 305 30 33 HIS HD2 H 8.123 0.00 1 306 30 33 HIS HE1 H 6.992 0.01 1 307 30 33 HIS C C 173.379 0.00 1 308 30 33 HIS CA C 55.252 0.11 1 309 30 33 HIS CB C 29.109 0.03 1 310 30 33 HIS N N 118.960 0.03 1 311 31 34 GLU H H 8.732 0.00 1 312 31 34 GLU HA H 5.379 0.01 1 313 31 34 GLU HB2 H 1.908 0.01 2 314 31 34 GLU HB3 H 1.937 0.00 2 315 31 34 GLU HG2 H 2.156 0.01 2 316 31 34 GLU HG3 H 1.954 0.00 2 317 31 34 GLU C C 175.815 0.00 1 318 31 34 GLU CA C 54.956 0.11 1 319 31 34 GLU CB C 32.024 0.02 1 320 31 34 GLU CG C 37.244 0.18 1 321 31 34 GLU N N 123.087 0.05 1 322 32 35 ILE H H 9.078 0.00 1 323 32 35 ILE HA H 4.671 0.01 1 324 32 35 ILE HB H 1.573 0.01 1 325 32 35 ILE HG12 H 1.222 0.03 2 326 32 35 ILE HG13 H 1.016 0.02 2 327 32 35 ILE HG2 H 0.743 0.00 1 328 32 35 ILE HG2 H 0.750 0.00 1 329 32 35 ILE HG2 H 0.772 0.02 1 330 32 35 ILE HD1 H 0.584 0.00 1 331 32 35 ILE HD1 H 0.567 0.01 1 332 32 35 ILE C C 174.234 0.00 1 333 32 35 ILE CA C 59.202 0.16 1 334 32 35 ILE CB C 42.170 0.00 1 335 32 35 ILE CG1 C 26.362 0.07 1 336 32 35 ILE CG2 C 18.076 0.00 1 337 32 35 ILE CD1 C 14.939 0.08 1 338 32 35 ILE N N 120.817 0.03 1 339 33 36 LEU H H 8.101 0.00 1 340 33 36 LEU HA H 5.033 0.01 1 341 33 36 LEU HB2 H 1.683 0.02 2 342 33 36 LEU HB3 H 1.721 0.01 2 343 33 36 LEU HG H 1.554 0.00 1 344 33 36 LEU HD1 H 0.863 0.00 2 345 33 36 LEU HD2 H 0.851 0.00 2 346 33 36 LEU C C 177.641 0.00 1 347 33 36 LEU CA C 54.516 0.14 1 348 33 36 LEU CB C 43.407 0.05 1 349 33 36 LEU CG C 27.411 0.01 1 350 33 36 LEU CD1 C 24.285 0.07 2 351 33 36 LEU CD2 C 24.527 0.00 2 352 33 36 LEU N N 125.608 0.04 1 353 34 37 CYS H H 9.658 0.01 1 354 34 37 CYS HA H 5.712 0.02 1 355 34 37 CYS HB2 H 2.758 0.01 2 356 34 37 CYS HB3 H 2.788 0.01 2 357 34 37 CYS C C 174.226 0.00 1 358 34 37 CYS CA C 57.562 0.17 1 359 34 37 CYS CB C 32.827 0.02 1 360 34 37 CYS N N 120.987 0.02 1 361 35 38 HIS H H 7.719 0.00 1 362 35 38 HIS HA H 5.498 0.02 1 363 35 38 HIS HB2 H 3.439 0.02 2 364 35 38 HIS HB3 H 3.475 0.00 2 365 35 38 HIS HD2 H 7.356 0.00 1 366 35 38 HIS C C 174.755 0.00 1 367 35 38 HIS CA C 54.283 0.09 1 368 35 38 HIS CB C 32.143 0.04 1 369 35 38 HIS N N 117.218 0.07 1 370 36 39 ILE H H 9.471 0.00 1 371 36 39 ILE HA H 4.538 0.02 1 372 36 39 ILE HB H 1.973 0.02 1 373 36 39 ILE HG12 H 1.683 0.01 2 374 36 39 ILE HG13 H 1.291 0.02 2 375 36 39 ILE HG2 H 1.042 0.00 1 376 36 39 ILE HG2 H 1.036 0.00 1 377 36 39 ILE HG2 H 1.065 0.02 1 378 36 39 ILE HD1 H 0.857 0.00 1 379 36 39 ILE HD1 H 0.861 0.00 1 380 36 39 ILE C C 175.758 0.00 1 381 36 39 ILE CA C 61.571 0.15 1 382 36 39 ILE CB C 39.721 0.06 1 383 36 39 ILE CG1 C 27.289 0.04 1 384 36 39 ILE CG2 C 18.596 0.00 1 385 36 39 ILE CD1 C 13.996 0.04 1 386 36 39 ILE N N 119.502 0.02 1 387 37 40 SER H H 8.377 0.00 1 388 37 40 SER HA H 4.518 0.02 1 389 37 40 SER HB2 H 3.923 0.03 2 390 37 40 SER HB3 H 4.192 0.01 2 391 37 40 SER C C 174.988 0.00 1 392 37 40 SER CA C 58.087 0.15 1 393 37 40 SER CB C 64.796 0.00 1 394 37 40 SER N N 119.849 0.03 1 395 38 41 GLY H H 9.063 0.00 1 396 38 41 GLY HA2 H 3.902 0.03 2 397 38 41 GLY HA3 H 4.046 0.02 2 398 38 41 GLY C C 175.780 0.00 1 399 38 41 GLY CA C 47.001 0.08 1 400 38 41 GLY N N 112.521 0.02 1 401 39 42 LYS H H 8.250 0.01 1 402 39 42 LYS HA H 4.132 0.02 1 403 39 42 LYS HB2 H 1.882 0.00 2 404 39 42 LYS HB3 H 1.903 0.00 2 405 39 42 LYS HG2 H 1.493 0.00 2 406 39 42 LYS C C 178.230 0.00 1 407 39 42 LYS CA C 58.671 0.13 1 408 39 42 LYS CB C 32.406 0.03 1 409 39 42 LYS CG C 25.292 0.00 1 410 39 42 LYS CD C 29.240 0.00 1 411 39 42 LYS N N 120.652 0.04 1 412 40 43 LEU H H 7.572 0.00 1 413 40 43 LEU HA H 4.184 0.01 1 414 40 43 LEU HB2 H 1.513 0.02 2 415 40 43 LEU HB3 H 1.786 0.01 2 416 40 43 LEU HG H 1.616 0.02 1 417 40 43 LEU HD1 H 0.763 0.00 2 418 40 43 LEU HD2 H 0.779 0.02 2 419 40 43 LEU C C 178.383 0.00 1 420 40 43 LEU CA C 56.903 0.17 1 421 40 43 LEU CB C 41.593 0.07 1 422 40 43 LEU CG C 27.678 0.00 1 423 40 43 LEU CD1 C 25.288 0.04 2 424 40 43 LEU CD2 C 23.953 0.03 2 425 40 43 LEU N N 119.397 0.07 1 426 41 44 ARG H H 7.961 0.00 1 427 41 44 ARG HA H 4.109 0.02 1 428 41 44 ARG HB2 H 1.917 0.00 2 429 41 44 ARG HB3 H 1.907 0.01 2 430 41 44 ARG HG2 H 1.685 0.00 2 431 41 44 ARG HD2 H 3.281 0.00 2 432 41 44 ARG C C 178.727 0.00 1 433 41 44 ARG CA C 58.365 0.09 1 434 41 44 ARG CB C 30.106 0.01 1 435 41 44 ARG CG C 27.489 0.00 1 436 41 44 ARG CD C 43.751 0.00 1 437 41 44 ARG N N 119.609 0.02 1 438 42 45 MET H H 8.146 0.00 1 439 42 45 MET HA H 4.187 0.01 1 440 42 45 MET HB2 H 2.133 0.06 2 441 42 45 MET HB3 H 2.622 0.01 2 442 42 45 MET HE H 2.050 0.01 1 443 42 45 MET C C 175.823 0.00 1 444 42 45 MET CA C 56.779 0.11 1 445 42 45 MET CB C 32.200 0.07 1 446 42 45 MET CE C 16.700 0.12 1 447 42 45 MET N N 118.083 0.02 1 448 43 46 ASN H H 7.602 0.00 1 449 43 46 ASN HA H 4.674 0.01 1 450 43 46 ASN HB2 H 2.623 0.02 2 451 43 46 ASN HB3 H 2.823 0.01 2 452 43 46 ASN C C 174.174 0.00 1 453 43 46 ASN CA C 53.170 0.10 1 454 43 46 ASN CB C 39.116 0.07 1 455 43 46 ASN N N 116.104 0.11 1 456 44 47 PHE H H 7.730 0.00 1 457 44 47 PHE HA H 4.341 0.02 1 458 44 47 PHE HB2 H 3.185 0.01 2 459 44 47 PHE HB3 H 3.164 0.02 2 460 44 47 PHE HD1 H 7.184 0.00 3 461 44 47 PHE HD2 H 7.187 0.00 3 462 44 47 PHE HE1 H 7.295 0.03 3 463 44 47 PHE HE2 H 7.326 0.00 3 464 44 47 PHE HZ H 7.321 0.00 1 465 44 47 PHE C C 175.123 0.00 1 466 44 47 PHE CA C 58.498 0.19 1 467 44 47 PHE CB C 37.230 0.05 1 468 44 47 PHE N N 116.765 0.05 1 469 45 48 ILE H H 7.578 0.00 1 470 45 48 ILE HA H 4.002 0.01 1 471 45 48 ILE HB H 1.724 0.01 1 472 45 48 ILE HG12 H 1.374 0.01 2 473 45 48 ILE HG13 H 1.167 0.01 2 474 45 48 ILE HG2 H 0.705 0.00 1 475 45 48 ILE HG2 H 0.707 0.00 1 476 45 48 ILE HD1 H 0.731 0.01 1 477 45 48 ILE HD1 H 0.757 0.01 1 478 45 48 ILE C C 174.958 0.00 1 479 45 48 ILE CA C 60.445 0.13 1 480 45 48 ILE CB C 37.882 0.04 1 481 45 48 ILE CG1 C 27.488 0.02 1 482 45 48 ILE CG2 C 17.195 0.02 1 483 45 48 ILE CD1 C 12.065 0.00 1 484 45 48 ILE N N 120.122 0.06 1 485 46 49 ARG H H 8.268 0.01 1 486 46 49 ARG HA H 4.438 0.01 1 487 46 49 ARG HB2 H 1.748 0.00 2 488 46 49 ARG HB3 H 1.732 0.01 2 489 46 49 ARG C C 174.895 0.00 1 490 46 49 ARG CA C 55.320 0.03 1 491 46 49 ARG CB C 30.762 0.01 1 492 46 49 ARG CG C 26.864 0.00 1 493 46 49 ARG CD C 43.420 0.00 1 494 46 49 ARG N N 126.638 0.03 1 495 47 50 ILE H H 8.231 0.01 1 496 47 50 ILE HA H 4.032 0.01 1 497 47 50 ILE HB H 1.425 0.01 1 498 47 50 ILE HG12 H 1.045 0.00 2 499 47 50 ILE HG13 H 0.876 0.01 2 500 47 50 ILE HG2 H 0.200 0.00 1 501 47 50 ILE HG2 H 0.198 0.01 1 502 47 50 ILE HG2 H 0.229 0.03 1 503 47 50 ILE HD1 H 0.351 0.00 1 504 47 50 ILE HD1 H 0.344 0.00 1 505 47 50 ILE HD1 H 0.347 0.00 1 506 47 50 ILE C C 173.687 0.00 1 507 47 50 ILE CA C 59.835 0.19 1 508 47 50 ILE CB C 37.181 0.02 1 509 47 50 ILE CG1 C 27.482 0.00 1 510 47 50 ILE CG2 C 18.701 0.01 1 511 47 50 ILE CD1 C 11.815 0.01 1 512 47 50 ILE N N 126.328 0.06 1 513 48 51 LEU H H 8.736 0.00 1 514 48 51 LEU HA H 4.644 0.01 1 515 48 51 LEU HB2 H 1.507 0.01 2 516 48 51 LEU HB3 H 1.593 0.01 2 517 48 51 LEU HG H 1.452 0.00 1 518 48 51 LEU HD1 H 0.830 0.01 2 519 48 51 LEU HD2 H 0.853 0.02 2 520 48 51 LEU C C 177.076 0.00 1 521 48 51 LEU CA C 52.523 0.13 1 522 48 51 LEU CB C 45.098 0.09 1 523 48 51 LEU CG C 25.022 0.09 1 524 48 51 LEU CD1 C 23.057 0.03 2 525 48 51 LEU CD2 C 25.316 0.06 2 526 48 51 LEU N N 127.701 0.06 1 527 49 52 GLU H H 8.722 0.01 1 528 49 52 GLU HA H 3.589 0.02 1 529 49 52 GLU HB2 H 1.935 0.03 2 530 49 52 GLU HB3 H 1.985 0.00 2 531 49 52 GLU C C 177.225 0.00 1 532 49 52 GLU CA C 58.809 0.09 1 533 49 52 GLU CB C 28.515 0.05 1 534 49 52 GLU CG C 36.427 0.00 1 535 49 52 GLU N N 119.154 0.05 1 536 50 53 GLY H H 9.210 0.00 1 537 50 53 GLY HA2 H 3.476 0.01 2 538 50 53 GLY HA3 H 4.433 0.03 2 539 50 53 GLY C C 174.371 0.00 1 540 50 53 GLY CA C 44.670 0.06 1 541 50 53 GLY N N 113.965 0.02 1 542 51 54 ASP H H 8.088 0.00 1 543 51 54 ASP HA H 4.542 0.02 1 544 51 54 ASP HB2 H 2.319 0.01 2 545 51 54 ASP HB3 H 2.793 0.01 2 546 51 54 ASP C C 175.743 0.00 1 547 51 54 ASP CA C 55.401 0.14 1 548 51 54 ASP CB C 41.069 0.06 1 549 51 54 ASP N N 121.375 0.02 1 550 52 55 LYS H H 8.616 0.00 1 551 52 55 LYS HA H 5.122 0.01 1 552 52 55 LYS HB2 H 1.776 0.02 2 553 52 55 LYS HB3 H 1.808 0.00 2 554 52 55 LYS HG2 H 1.549 0.01 2 555 52 55 LYS C C 176.554 0.00 1 556 52 55 LYS CA C 54.787 0.20 1 557 52 55 LYS CB C 32.635 0.01 1 558 52 55 LYS CG C 24.461 0.00 1 559 52 55 LYS N N 121.499 0.05 1 560 53 56 VAL H H 8.860 0.00 1 561 53 56 VAL HA H 5.049 0.02 1 562 53 56 VAL HB H 2.176 0.02 1 563 53 56 VAL HG1 H 0.445 0.03 2 564 53 56 VAL HG1 H 0.399 0.01 2 565 53 56 VAL HG1 H 0.405 0.00 2 566 53 56 VAL HG2 H 0.626 0.02 2 567 53 56 VAL C C 174.066 0.00 1 568 53 56 VAL CA C 58.055 0.14 1 569 53 56 VAL CB C 35.904 0.04 1 570 53 56 VAL CG1 C 18.095 0.05 2 571 53 56 VAL CG2 C 22.501 0.04 2 572 53 56 VAL N N 114.740 0.04 1 573 54 57 ASN H H 8.174 0.01 1 574 54 57 ASN HA H 5.080 0.01 1 575 54 57 ASN HB2 H 1.918 0.03 2 576 54 57 ASN HB3 H 2.223 0.01 2 577 54 57 ASN HD21 H 6.827 0.00 2 578 54 57 ASN HD22 H 6.924 0.00 2 579 54 57 ASN C C 174.136 0.00 1 580 54 57 ASN CA C 52.785 0.12 1 581 54 57 ASN CB C 40.882 0.10 1 582 54 57 ASN N N 119.010 0.02 1 583 54 57 ASN ND2 N 111.125 0.00 1 584 55 58 VAL H H 9.169 0.00 1 585 55 58 VAL HA H 4.815 0.01 1 586 55 58 VAL HB H 1.759 0.01 1 587 55 58 VAL HG1 H 0.710 0.02 2 588 55 58 VAL HG2 H 0.643 0.02 2 589 55 58 VAL C C 173.698 0.00 1 590 55 58 VAL CA C 59.804 0.14 1 591 55 58 VAL CB C 34.758 0.10 1 592 55 58 VAL CG1 C 23.069 0.05 2 593 55 58 VAL CG2 C 22.066 0.12 2 594 55 58 VAL N N 123.178 0.04 1 595 56 59 GLU H H 9.031 0.00 1 596 56 59 GLU HA H 5.221 0.02 1 597 56 59 GLU HB2 H 1.963 0.00 2 598 56 59 GLU HB3 H 1.968 0.00 2 599 56 59 GLU HG2 H 2.298 0.00 2 600 56 59 GLU C C 176.494 0.00 1 601 56 59 GLU CA C 54.333 0.14 1 602 56 59 GLU CB C 32.832 0.02 1 603 56 59 GLU CG C 37.042 0.00 1 604 56 59 GLU N N 124.201 0.02 1 605 57 60 LEU H H 9.146 0.00 1 606 57 60 LEU HA H 4.809 0.02 1 607 57 60 LEU HB2 H 1.520 0.01 2 608 57 60 LEU HB3 H 1.756 0.02 2 609 57 60 LEU HG H 1.558 0.01 1 610 57 60 LEU HD1 H 0.784 0.01 2 611 57 60 LEU HD2 H 0.748 0.01 2 612 57 60 LEU C C 175.945 0.00 1 613 57 60 LEU CA C 54.680 0.09 1 614 57 60 LEU CB C 44.090 0.06 1 615 57 60 LEU CG C 27.723 0.04 1 616 57 60 LEU CD2 C 26.212 0.15 2 617 57 60 LEU N N 125.960 0.04 1 618 58 61 SER H H 9.050 0.00 1 619 58 61 SER HA H 4.500 0.00 1 620 58 61 SER HB2 H 3.917 0.06 2 621 58 61 SER HB3 H 4.163 0.02 2 622 58 61 SER CA C 55.229 0.06 1 623 58 61 SER CB C 64.476 0.06 1 624 58 61 SER N N 117.251 0.03 1 625 59 62 PRO HA H 4.115 0.01 1 626 59 62 PRO HB2 H 1.518 0.02 2 627 59 62 PRO HB3 H 2.111 0.02 2 628 59 62 PRO HG2 H 1.837 0.00 2 629 59 62 PRO HG3 H 1.842 0.00 2 630 59 62 PRO HD3 H 3.746 0.00 2 631 59 62 PRO CA C 63.836 0.06 1 632 59 62 PRO CB C 31.716 0.00 1 633 59 62 PRO CG C 27.361 0.00 1 634 60 63 TYR H H 7.345 0.00 1 635 60 63 TYR HA H 4.502 0.02 1 636 60 63 TYR HB2 H 2.766 0.01 2 637 60 63 TYR HB3 H 3.281 0.02 2 638 60 63 TYR HD1 H 7.092 0.00 3 639 60 63 TYR HD2 H 7.095 0.00 3 640 60 63 TYR CA C 57.321 0.18 1 641 60 63 TYR CB C 38.237 0.03 1 642 60 63 TYR N N 114.186 0.05 1 643 61 64 ASP H H 7.517 0.01 1 644 61 64 ASP HA H 4.763 0.01 1 645 61 64 ASP HB2 H 2.744 0.01 2 646 61 64 ASP HB3 H 2.774 0.00 2 647 61 64 ASP C C 175.224 0.41 1 648 61 64 ASP CA C 54.007 0.22 1 649 61 64 ASP CB C 40.938 0.05 1 650 61 64 ASP N N 118.132 0.02 1 651 62 65 LEU H H 8.834 0.00 1 652 62 65 LEU HA H 4.437 0.01 1 653 62 65 LEU HB2 H 1.676 0.00 2 654 62 65 LEU HB3 H 1.662 0.00 2 655 62 65 LEU HG H 1.604 0.00 1 656 62 65 LEU HD1 H 0.766 0.00 2 657 62 65 LEU HD2 H 0.817 0.03 2 658 62 65 LEU HD2 H 0.840 0.00 2 659 62 65 LEU C C 176.884 0.00 1 660 62 65 LEU CA C 55.451 0.18 1 661 62 65 LEU CB C 40.871 0.00 1 662 62 65 LEU CD1 C 23.444 0.00 2 663 62 65 LEU CD2 C 25.059 0.22 2 664 62 65 LEU N N 124.037 0.06 1 665 63 66 THR H H 8.376 0.00 1 666 63 66 THR HA H 4.525 0.01 1 667 63 66 THR HB H 4.494 0.02 1 668 63 66 THR HG2 H 1.278 0.00 1 669 63 66 THR HG2 H 1.252 0.01 1 670 63 66 THR HG2 H 1.272 0.00 1 671 63 66 THR C C 174.615 0.00 1 672 63 66 THR CA C 62.551 0.11 1 673 63 66 THR CB C 69.956 0.12 1 674 63 66 THR CG2 C 21.512 0.00 1 675 63 66 THR N N 107.276 0.03 1 676 64 67 ARG H H 7.398 0.00 1 677 64 67 ARG HA H 5.490 0.01 1 678 64 67 ARG HB2 H 1.790 0.01 2 679 64 67 ARG HB3 H 1.976 0.03 2 680 64 67 ARG HG2 H 1.684 0.01 2 681 64 67 ARG HG3 H 1.638 0.00 2 682 64 67 ARG HD2 H 3.288 0.00 2 683 64 67 ARG HD3 H 3.294 0.00 2 684 64 67 ARG C C 174.893 0.00 1 685 64 67 ARG CA C 54.139 0.16 1 686 64 67 ARG CB C 34.291 0.02 1 687 64 67 ARG CG C 26.997 0.01 1 688 64 67 ARG CD C 43.722 0.00 1 689 64 67 ARG N N 120.856 0.04 1 690 65 68 GLY H H 8.063 0.01 1 691 65 68 GLY HA2 H 3.652 0.02 2 692 65 68 GLY HA3 H 4.767 0.02 2 693 65 68 GLY C C 172.021 0.00 1 694 65 68 GLY CA C 45.302 0.08 1 695 65 68 GLY N N 105.826 0.06 1 696 66 69 ARG H H 8.653 0.01 1 697 66 69 ARG HA H 5.071 0.02 1 698 66 69 ARG HB2 H 1.593 0.01 2 699 66 69 ARG HB3 H 1.583 0.01 2 700 66 69 ARG HG2 H 1.467 0.00 2 701 66 69 ARG HG3 H 1.465 0.00 2 702 66 69 ARG HD2 H 3.219 0.01 2 703 66 69 ARG HD3 H 3.235 0.00 2 704 66 69 ARG C C 175.354 0.00 1 705 66 69 ARG CA C 53.484 0.13 1 706 66 69 ARG CB C 33.584 0.04 1 707 66 69 ARG CG C 26.975 0.00 1 708 66 69 ARG CD C 43.696 0.00 1 709 66 69 ARG N N 119.029 0.02 1 710 67 70 ILE H H 8.883 0.00 1 711 67 70 ILE HA H 4.543 0.02 1 712 67 70 ILE HB H 1.519 0.01 1 713 67 70 ILE HG12 H 1.502 0.01 2 714 67 70 ILE HG13 H 0.684 0.01 2 715 67 70 ILE HG2 H 0.742 0.02 1 716 67 70 ILE HG2 H 0.689 0.01 1 717 67 70 ILE HD1 H 0.388 0.01 1 718 67 70 ILE HD1 H 0.376 0.00 1 719 67 70 ILE HD1 H 0.373 0.00 1 720 67 70 ILE C C 176.103 0.00 1 721 67 70 ILE CA C 61.715 0.14 1 722 67 70 ILE CB C 39.453 0.05 1 723 67 70 ILE CG1 C 28.695 0.01 1 724 67 70 ILE CG2 C 16.746 0.00 1 725 67 70 ILE CD1 C 14.000 0.13 1 726 67 70 ILE N N 124.764 0.04 1 727 68 71 THR H H 8.675 0.00 1 728 68 71 THR HA H 4.599 0.03 1 729 68 71 THR HB H 4.399 0.01 1 730 68 71 THR HG2 H 1.093 0.01 1 731 68 71 THR HG2 H 1.117 0.01 1 732 68 71 THR HG2 H 1.129 0.00 1 733 68 71 THR C C 175.078 0.00 1 734 68 71 THR CA C 61.441 0.16 1 735 68 71 THR CB C 69.533 0.15 1 736 68 71 THR CG2 C 22.497 0.07 1 737 68 71 THR N N 117.101 0.03 1 738 69 72 TRP H H 7.557 0.00 1 739 69 72 TRP HA H 4.624 0.01 1 740 69 72 TRP HB2 H 3.363 0.05 2 741 69 72 TRP HB3 H 3.417 0.02 2 742 69 72 TRP HD1 H 7.050 0.02 1 743 69 72 TRP HE1 H 10.207 0.01 1 744 69 72 TRP HE3 H 7.561 0.00 1 745 69 72 TRP HZ2 H 7.442 0.00 1 746 69 72 TRP C C 173.454 0.00 1 747 69 72 TRP CA C 57.678 0.18 1 748 69 72 TRP CB C 31.634 0.04 1 749 69 72 TRP N N 118.849 0.08 1 750 69 72 TRP NE1 N 130.663 0.03 1 751 70 73 ARG H H 7.890 0.01 1 752 70 73 ARG HA H 4.636 0.02 1 753 70 73 ARG HB2 H 1.295 0.00 2 754 70 73 ARG HB3 H 1.565 0.01 2 755 70 73 ARG HD2 H 2.972 0.00 2 756 70 73 ARG HD3 H 2.983 0.00 2 757 70 73 ARG C C 174.363 0.00 1 758 70 73 ARG CA C 55.050 0.15 1 759 70 73 ARG CB C 31.845 0.04 1 760 70 73 ARG CG C 26.424 0.00 1 761 70 73 ARG CD C 43.385 0.00 1 762 70 73 ARG N N 124.196 0.03 1 763 71 74 LYS H H 8.498 0.00 1 764 71 74 LYS HA H 4.142 0.01 1 765 71 74 LYS HB2 H 1.562 0.00 2 766 71 74 LYS HB3 H 1.755 0.01 2 767 71 74 LYS C C 175.747 0.00 1 768 71 74 LYS CA C 56.618 0.12 1 769 71 74 LYS CB C 33.256 0.02 1 770 71 74 LYS CG C 25.243 0.00 1 771 71 74 LYS CD C 29.315 0.00 1 772 71 74 LYS N N 126.162 0.03 1 773 72 75 LYS H H 8.405 0.00 1 774 72 75 LYS HA H 4.250 0.02 1 775 72 75 LYS HB2 H 1.751 0.00 2 776 72 75 LYS HB3 H 1.756 0.00 2 777 72 75 LYS C C 176.042 0.00 1 778 72 75 LYS CA C 56.516 0.21 1 779 72 75 LYS CB C 33.161 0.04 1 780 72 75 LYS CG C 24.692 0.00 1 781 72 75 LYS CD C 29.107 0.00 1 782 72 75 LYS N N 124.038 0.05 1 783 73 76 LEU H H 8.332 0.00 1 784 73 76 LEU HA H 4.410 0.02 1 785 73 76 LEU HB2 H 1.522 0.00 2 786 73 76 LEU HB3 H 1.532 0.00 2 787 73 76 LEU C C 176.760 0.00 1 788 73 76 LEU CA C 55.069 0.10 1 789 73 76 LEU CB C 42.535 0.07 1 790 73 76 LEU CG C 27.061 0.00 1 791 73 76 LEU CD1 C 23.430 0.00 2 792 73 76 LEU CD2 C 24.061 0.00 2 793 73 76 LEU N N 125.560 0.04 1 794 74 77 GLU H H 8.445 0.00 1 795 74 77 GLU CA C 55.871 0.00 1 796 74 77 GLU CB C 30.597 0.00 1 797 74 77 GLU N N 122.945 0.03 1 stop_ save_