data_27856 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Resonance assignments of N terminal Receiver domain of Sigma factor S regulator RssB from Escherichia coli ; _BMRB_accession_number 27856 _BMRB_flat_file_name bmr27856.str _Entry_type original _Submission_date 2019-03-29 _Accession_date 2019-03-29 _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 Liu Bing . . 2 Wang Zhihao . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 709 "13C chemical shifts" 507 "15N chemical shifts" 126 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2020-01-10 update BMRB 'update entry citation' 2019-06-26 original author 'original release' stop_ _Original_release_date 2019-03-29 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Resonance assignments of N-terminal receiver domain of sigma factor S regulator RssB from Escherichia coli. ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 31228091 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Wang Zhihao . . 2 Zhao Siyu . . 3 Jiang Songzi . . 4 Wang Yawen . . 5 Buck Martin . . 6 Matthews Steve . . 7 Liu Bing . . stop_ _Journal_abbreviation 'Biomol. NMR Assign.' _Journal_name_full 'Biomolecular NMR assignments' _Journal_volume 13 _Journal_issue 2 _Journal_ISSN 1874-270X _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 333 _Page_last 337 _Year 2019 _Details . loop_ _Keyword ClpXP IraD IraM RpoS RssB stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'RssB 1-125' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label RssB $RssB_N-terminal_1-125 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_RssB_N-terminal_1-125 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common RssB_N-terminal_1-125 _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 125 _Mol_residue_sequence ; MTQPLVGKQILIVEDEQVFR SLLDSWFSSLGATTVLAADG VDALELLGGFTPDLMICDIA MPRMNGLKLLEHIRNRGDQT PVLVISATENMADIAKALRL GVEDVLLKPVKDLNRLREMV FACLY ; loop_ _Residue_seq_code _Residue_label 1 MET 2 THR 3 GLN 4 PRO 5 LEU 6 VAL 7 GLY 8 LYS 9 GLN 10 ILE 11 LEU 12 ILE 13 VAL 14 GLU 15 ASP 16 GLU 17 GLN 18 VAL 19 PHE 20 ARG 21 SER 22 LEU 23 LEU 24 ASP 25 SER 26 TRP 27 PHE 28 SER 29 SER 30 LEU 31 GLY 32 ALA 33 THR 34 THR 35 VAL 36 LEU 37 ALA 38 ALA 39 ASP 40 GLY 41 VAL 42 ASP 43 ALA 44 LEU 45 GLU 46 LEU 47 LEU 48 GLY 49 GLY 50 PHE 51 THR 52 PRO 53 ASP 54 LEU 55 MET 56 ILE 57 CYS 58 ASP 59 ILE 60 ALA 61 MET 62 PRO 63 ARG 64 MET 65 ASN 66 GLY 67 LEU 68 LYS 69 LEU 70 LEU 71 GLU 72 HIS 73 ILE 74 ARG 75 ASN 76 ARG 77 GLY 78 ASP 79 GLN 80 THR 81 PRO 82 VAL 83 LEU 84 VAL 85 ILE 86 SER 87 ALA 88 THR 89 GLU 90 ASN 91 MET 92 ALA 93 ASP 94 ILE 95 ALA 96 LYS 97 ALA 98 LEU 99 ARG 100 LEU 101 GLY 102 VAL 103 GLU 104 ASP 105 VAL 106 LEU 107 LEU 108 LYS 109 PRO 110 VAL 111 LYS 112 ASP 113 LEU 114 ASN 115 ARG 116 LEU 117 ARG 118 GLU 119 MET 120 VAL 121 PHE 122 ALA 123 CYS 124 LEU 125 TYR 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 $RssB_N-terminal_1-125 'E. coli' 562 Bacteria . Escherichia coli 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 $RssB_N-terminal_1-125 'recombinant technology' . Escherichia coli . pET-46 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 $RssB_N-terminal_1-125 0.5 mM '[U-100% 13C; U-100% 15N]' 'sodium chloride' 250 mM 'natural abundance' TRIS 50 mM 'natural abundance' TCEP 1 mM 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $RssB_N-terminal_1-125 0.5 mM '[U-100% 13C; U-100% 15N; U-80% 2H]' 'sodium chloride' 250 mM 'natural abundance' TRIS 50 mM 'natural abundance' TCEP 1 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_NMRView _Saveframe_category software _Name NMRView _Version . loop_ _Vendor _Address _Electronic_address 'Johnson, One Moon Scientific' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 900 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_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_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HN(CA)CO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_HNCACB_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_2 save_ save_3D_HN(CA)CO_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $sample_2 save_ save_3D_(H)CCH-TOCSY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D (H)CCH-TOCSY' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_13 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_2 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' 250 . mM pH 7.5 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio water C 13 protons ppm 4.8 internal indirect . . . 0.251449530 water H 1 protons ppm 4.8 internal indirect . . . 1 water N 15 protons ppm 4.8 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_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCACB' '3D CBCA(CO)NH' '3D HNCO' '3D HN(CA)CO' '3D HBHA(CO)NH' '3D HCCH-TOCSY' '3D 1H-13C NOESY' '3D 1H-15N NOESY' '3D (H)CCH-TOCSY' 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 RssB _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 4.467 . 1 2 1 1 MET HB2 H 2.115 . 2 3 1 1 MET HB3 H 2.112 . 2 4 1 1 MET HG2 H 2.560 . 2 5 1 1 MET HG3 H 2.560 . 2 6 1 1 MET CA C 55.429 . 1 7 1 1 MET CB C 32.851 . 1 8 1 1 MET CG C 31.938 . 1 9 2 2 THR H H 8.033 . 1 10 2 2 THR HA H 4.256 . 1 11 2 2 THR HB H 4.258 . 1 12 2 2 THR HG2 H 1.225 . 1 13 2 2 THR CA C 62.091 . 1 14 2 2 THR CB C 69.910 . 1 15 2 2 THR CG2 C 21.749 . 1 16 2 2 THR N N 114.246 . 1 17 3 3 GLN H H 8.280 . 1 18 3 3 GLN HA H 4.795 . 1 19 3 3 GLN HB2 H 2.213 . 2 20 3 3 GLN HB3 H 2.286 . 2 21 3 3 GLN HG2 H 2.447 . 2 22 3 3 GLN HG3 H 2.447 . 2 23 3 3 GLN HE21 H 6.870 . 2 24 3 3 GLN HE22 H 7.338 . 2 25 3 3 GLN CA C 53.1900 . 1 26 3 3 GLN CB C 28.8300 . 1 27 3 3 GLN CG C 33.557 . 1 28 3 3 GLN N N 120.353 . 1 29 3 3 GLN NE2 N 112.360 . 1 30 4 4 PRO HA H 4.506 . 1 31 4 4 PRO HB2 H 2.375 . 2 32 4 4 PRO HB3 H 1.925 . 2 33 4 4 PRO HG2 H 2.226 . 2 34 4 4 PRO HG3 H 2.231 . 2 35 4 4 PRO HD2 H 3.729 . 2 36 4 4 PRO HD3 H 3.729 . 2 37 4 4 PRO C C 177.595 . 1 38 4 4 PRO CA C 64.124 . 1 39 4 4 PRO CB C 33.089 . 1 40 4 4 PRO CG C 27.909 . 1 41 4 4 PRO CD C 50.907 . 1 42 5 5 LEU H H 8.199 . 1 43 5 5 LEU HA H 4.548 . 1 44 5 5 LEU HB2 H 1.611 . 2 45 5 5 LEU HB3 H 1.405 . 2 46 5 5 LEU HG H 1.652 . 1 47 5 5 LEU HD1 H 0.818 . 2 48 5 5 LEU HD2 H 0.615 . 2 49 5 5 LEU C C 174.854 . 1 50 5 5 LEU CA C 52.842 . 1 51 5 5 LEU CB C 42.101 . 1 52 5 5 LEU CG C 26.622 . 1 53 5 5 LEU CD1 C 22.960 . 1 54 5 5 LEU CD2 C 22.574 . 2 55 5 5 LEU N N 115.137 . 1 56 6 6 VAL H H 6.971 . 1 57 6 6 VAL HA H 3.923 . 1 58 6 6 VAL HB H 2.104 . 1 59 6 6 VAL HG1 H 1.029 . 2 60 6 6 VAL HG2 H 1.183 . 2 61 6 6 VAL C C 177.239 . 1 62 6 6 VAL CA C 63.507 . 1 63 6 6 VAL CB C 31.954 . 1 64 6 6 VAL CG1 C 20.474 . 2 65 6 6 VAL CG2 C 22.290 . 2 66 6 6 VAL N N 118.756 . 1 67 7 7 GLY H H 8.770 . 1 68 7 7 GLY HA2 H 4.299 . 2 69 7 7 GLY HA3 H 3.725 . 2 70 7 7 GLY C C 174.622 . 1 71 7 7 GLY CA C 44.832 . 1 72 7 7 GLY N N 115.9700 . 1 73 8 8 LYS H H 8.058 . 1 74 8 8 LYS HA H 4.816 . 1 75 8 8 LYS HB2 H 2.137 . 2 76 8 8 LYS HB3 H 2.137 . 2 77 8 8 LYS HG2 H 1.356 . 2 78 8 8 LYS HG3 H 1.328 . 2 79 8 8 LYS HD2 H 1.667 . 2 80 8 8 LYS HD3 H 1.667 . 2 81 8 8 LYS HE2 H 3.000 . 2 82 8 8 LYS HE3 H 3.000 . 2 83 8 8 LYS C C 175.655 . 1 84 8 8 LYS CA C 53.176 . 1 85 8 8 LYS CB C 32.780 . 1 86 8 8 LYS CG C 22.492 . 1 87 8 8 LYS CD C 26.825 . 1 88 8 8 LYS CE C 42.100 . 1 89 8 8 LYS N N 119.254 . 1 90 9 9 GLN H H 10.018 . 1 91 9 9 GLN HA H 5.178 . 1 92 9 9 GLN HB2 H 2.037 . 2 93 9 9 GLN HB3 H 2.050 . 2 94 9 9 GLN HG2 H 2.524 . 2 95 9 9 GLN HG3 H 2.521 . 2 96 9 9 GLN HE21 H 7.301 . 2 97 9 9 GLN HE22 H 6.625 . 2 98 9 9 GLN C C 175.192 . 1 99 9 9 GLN CA C 54.445 . 1 100 9 9 GLN CB C 31.354 . 1 101 9 9 GLN CG C 34.300 . 1 102 9 9 GLN N N 122.614 . 1 103 9 9 GLN NE2 N 110.000 . 1 104 10 10 ILE H H 8.990 . 1 105 10 10 ILE HA H 4.790 . 1 106 10 10 ILE HB H 1.518 . 1 107 10 10 ILE HG12 H 1.250 . 9 108 10 10 ILE HG13 H 0.756 . 1 109 10 10 ILE HG2 H -0.073 . 1 110 10 10 ILE HD1 H 0.440 . 1 111 10 10 ILE C C 174.266 . 1 112 10 10 ILE CA C 57.1900 . 1 113 10 10 ILE CB C 39.564 . 1 114 10 10 ILE CG1 C 26.723 . 1 115 10 10 ILE CG2 C 15.500 . 1 116 10 10 ILE CD1 C 11.080 . 1 117 10 10 ILE N N 126.277 . 1 118 11 11 LEU H H 8.185 . 1 119 11 11 LEU HA H 5.362 . 1 120 11 11 LEU HB2 H 1.841 . 2 121 11 11 LEU HB3 H 1.333 . 2 122 11 11 LEU HG H 1.485 . 1 123 11 11 LEU HD1 H 0.903 . 2 124 11 11 LEU HD2 H 0.905 . 2 125 11 11 LEU C C 173.909 . 1 126 11 11 LEU CA C 52.776 . 1 127 11 11 LEU CB C 45.172 . 1 128 11 11 LEU CG C 27.834 . 1 129 11 11 LEU CD1 C 23.340 . 1 130 11 11 LEU CD2 C 23.340 . 1 131 11 11 LEU N N 128.1700 . 1 132 12 12 ILE H H 9.070 . 1 133 12 12 ILE HA H 4.517 . 1 134 12 12 ILE HB H 1.837 . 1 135 12 12 ILE HG12 H 1.483 . 1 136 12 12 ILE HG13 H 1.490 . 1 137 12 12 ILE HG2 H 0.848 . 1 138 12 12 ILE HD1 H 0.800 . 1 139 12 12 ILE CA C 60.386 . 1 140 12 12 ILE CB C 40.299 . 1 141 12 12 ILE CG1 C 27.823 . 1 142 12 12 ILE CG2 C 18.000 . 1 143 12 12 ILE CD1 C 13.800 . 1 144 12 12 ILE N N 129.174 . 1 145 13 13 VAL H H 8.912 . 1 146 13 13 VAL HA H 4.760 . 1 147 13 13 VAL HB H 2.289 . 1 148 13 13 VAL HG1 H 0.770 . 2 149 13 13 VAL HG2 H 0.770 . 2 150 13 13 VAL CA C 60.386 . 1 151 13 13 VAL CB C 31.496 . 1 152 13 13 VAL CG1 C 20.330 . 1 153 13 13 VAL CG2 C 20.330 . 1 154 13 13 VAL N N 129.019 . 1 155 14 14 GLU H H 8.400 . 1 156 14 14 GLU HA H 4.057 . 1 157 14 14 GLU HB2 H 1.878 . 2 158 14 14 GLU HB3 H 1.878 . 2 159 14 14 GLU HG2 H 2.273 . 2 160 14 14 GLU HG3 H 2.273 . 2 161 14 14 GLU CA C 55.193 . 1 162 14 14 GLU CB C 32.476 . 1 163 14 14 GLU CG C 35.837 . 1 164 14 14 GLU N N 125.5700 . 1 165 15 15 ASP H H 8.278 . 1 166 15 15 ASP HA H 4.550 . 1 167 15 15 ASP HB2 H 2.704 . 2 168 15 15 ASP HB3 H 2.704 . 2 169 15 15 ASP CA C 54.479 . 1 170 15 15 ASP CB C 41.6300 . 1 171 15 15 ASP N N 120.7700 . 1 172 16 16 GLU H H 8.133 . 1 173 16 16 GLU HA H 4.230 . 1 174 16 16 GLU HB2 H 1.899 . 2 175 16 16 GLU HB3 H 1.899 . 2 176 16 16 GLU HG2 H 2.300 . 2 177 16 16 GLU HG3 H 2.305 . 2 178 16 16 GLU CA C 56.514 . 1 179 16 16 GLU CB C 32.927 . 1 180 16 16 GLU CG C 33.800 . 1 181 16 16 GLU N N 120.6700 . 1 182 17 17 GLN H H 8.188 . 1 183 17 17 GLN HA H 4.799 . 1 184 17 17 GLN HB2 H 1.861 . 2 185 17 17 GLN HB3 H 1.846 . 2 186 17 17 GLN HG2 H 2.431 . 2 187 17 17 GLN HG3 H 2.305 . 2 188 17 17 GLN HE21 H 6.840 . 2 189 17 17 GLN HE22 H 7.342 . 2 190 17 17 GLN CA C 55.646 . 1 191 17 17 GLN CB C 28.633 . 1 192 17 17 GLN CG C 33.494 . 1 193 17 17 GLN N N 119.227 . 1 194 17 17 GLN NE2 N 112.500 . 1 195 18 18 VAL H H 8.460 . 1 196 18 18 VAL HA H 4.093 . 1 197 18 18 VAL HB H 2.066 . 1 198 18 18 VAL HG1 H 0.834 . 2 199 18 18 VAL HG2 H 0.821 . 2 200 18 18 VAL CA C 66.2900 . 1 201 18 18 VAL CB C 31.228 . 1 202 18 18 VAL CG1 C 21.145 . 1 203 18 18 VAL CG2 C 21.110 . 1 204 18 18 VAL N N 123.1700 . 1 205 19 19 PHE H H 8.199 . 1 206 19 19 PHE HA H 4.650 . 1 207 19 19 PHE HB2 H 2.896 . 2 208 19 19 PHE HB3 H 2.897 . 2 209 19 19 PHE HD1 H 7.423 . 3 210 19 19 PHE HD2 H 7.430 . 3 211 19 19 PHE HE1 H 7.273 . 3 212 19 19 PHE HE2 H 7.268 . 3 213 19 19 PHE HZ H 7.004 . 1 214 19 19 PHE C C 177.042 . 1 215 19 19 PHE CA C 59.709 . 1 216 19 19 PHE CB C 39.407 . 1 217 19 19 PHE CD1 C 131.500 . 3 218 19 19 PHE CD2 C 131.500 . 3 219 19 19 PHE CE1 C 130.900 . 3 220 19 19 PHE CE2 C 130.900 . 3 221 19 19 PHE CZ C 128.300 . 1 222 19 19 PHE N N 122.296 . 1 223 20 20 ARG H H 8.654 . 1 224 20 20 ARG HA H 4.071 . 1 225 20 20 ARG HB2 H 2.036 . 2 226 20 20 ARG HB3 H 2.037 . 2 227 20 20 ARG HG2 H 1.703 . 2 228 20 20 ARG HG3 H 1.705 . 2 229 20 20 ARG HD2 H 3.249 . 2 230 20 20 ARG HD3 H 3.253 . 2 231 20 20 ARG C C 177.719 . 1 232 20 20 ARG CA C 60.319 . 1 233 20 20 ARG CB C 30.886 . 1 234 20 20 ARG CG C 27.500 . 1 235 20 20 ARG CD C 43.200 . 1 236 20 20 ARG N N 119.3700 . 1 237 21 21 SER H H 8.257 . 1 238 21 21 SER HA H 4.380 . 1 239 21 21 SER HB2 H 4.079 . 2 240 21 21 SER HB3 H 4.066 . 2 241 21 21 SER C C 176.668 . 1 242 21 21 SER CA C 61.187 . 1 243 21 21 SER CB C 63.329 . 1 244 21 21 SER N N 113.650 . 1 245 22 22 LEU H H 7.937 . 1 246 22 22 LEU HA H 4.131 . 1 247 22 22 LEU HB2 H 1.867 . 2 248 22 22 LEU HB3 H 1.867 . 2 249 22 22 LEU HG H 1.580 . 1 250 22 22 LEU HD1 H 0.910 . 2 251 22 22 LEU HD2 H 0.910 . 2 252 22 22 LEU C C 179.374 . 1 253 22 22 LEU CA C 58.250 . 1 254 22 22 LEU CB C 42.301 . 1 255 22 22 LEU CG C 27.000 . 1 256 22 22 LEU CD1 C 24.340 . 1 257 22 22 LEU CD2 C 24.453 . 2 258 22 22 LEU N N 126.186 . 1 259 23 23 LEU H H 8.159 . 1 260 23 23 LEU HA H 3.992 . 1 261 23 23 LEU HB2 H 1.306 . 2 262 23 23 LEU HB3 H 1.306 . 2 263 23 23 LEU HG H 0.537 . 1 264 23 23 LEU HD1 H 0.572 . 2 265 23 23 LEU HD2 H 0.576 . 2 266 23 23 LEU C C 179.357 . 1 267 23 23 LEU CA C 57.504 . 1 268 23 23 LEU CB C 43.169 . 1 269 23 23 LEU CG C 26.659 . 1 270 23 23 LEU CD1 C 22.692 . 1 271 23 23 LEU CD2 C 22.692 . 1 272 23 23 LEU N N 118.853 . 1 273 24 24 ASP H H 8.650 . 1 274 24 24 ASP HA H 4.378 . 1 275 24 24 ASP HB2 H 2.991 . 2 276 24 24 ASP HB3 H 2.850 . 2 277 24 24 ASP C C 179.00 . 1 278 24 24 ASP CA C 57.602 . 1 279 24 24 ASP CB C 43.171 . 1 280 24 24 ASP N N 119.1700 . 1 281 25 25 SER H H 8.548 . 1 282 25 25 SER HA H 4.371 . 1 283 25 25 SER HB2 H 4.109 . 2 284 25 25 SER HB3 H 4.109 . 2 285 25 25 SER C C 176.847 . 1 286 25 25 SER CA C 61.253 . 1 287 25 25 SER CB C 63.462 . 1 288 25 25 SER N N 115.597 . 1 289 26 26 TRP H H 8.637 . 1 290 26 26 TRP HA H 4.165 . 1 291 26 26 TRP HB2 H 3.225 . 2 292 26 26 TRP HB3 H 3.227 . 2 293 26 26 TRP HD1 H 7.123 . 1 294 26 26 TRP HE1 H 10.034 . 4 295 26 26 TRP HE3 H 6.226 . 4 296 26 26 TRP HZ2 H 6.981 . 4 297 26 26 TRP HZ3 H 6.264 . 4 298 26 26 TRP HH2 H 6.499 . 1 299 26 26 TRP C C 179.215 . 1 300 26 26 TRP CA C 62.055 . 1 301 26 26 TRP CB C 28.884 . 1 302 26 26 TRP CD1 C 126.600 . 4 303 26 26 TRP CE3 C 119.400 . 4 304 26 26 TRP CZ2 C 113.000 . 4 305 26 26 TRP CZ3 C 119.800 . 4 306 26 26 TRP N N 124.879 . 1 307 26 26 TRP NE1 N 128.900 . 1 308 27 27 PHE H H 8.952 . 1 309 27 27 PHE HA H 3.728 . 1 310 27 27 PHE HB2 H 3.057 . 2 311 27 27 PHE HB3 H 2.662 . 2 312 27 27 PHE HD1 H 7.352 . 3 313 27 27 PHE HD2 H 7.358 . 3 314 27 27 PHE HE1 H 7.150 . 3 315 27 27 PHE HE2 H 7.150 . 3 316 27 27 PHE HZ H 7.094 . 1 317 27 27 PHE C C 179.215 . 1 318 27 27 PHE CA C 63.123 . 1 319 27 27 PHE CB C 39.297 . 1 320 27 27 PHE CD1 C 132.600 . 3 321 27 27 PHE CD2 C 132.600 . 3 322 27 27 PHE CE1 C 130.400 . 3 323 27 27 PHE CE2 C 130.400 . 3 324 27 27 PHE CZ C 128.700 . 1 325 27 27 PHE N N 116.704 . 1 326 28 28 SER H H 8.806 . 1 327 28 28 SER HA H 4.109 . 1 328 28 28 SER HB2 H 4.109 . 2 329 28 28 SER HB3 H 4.111 . 2 330 28 28 SER C C 179.00 . 1 331 28 28 SER CA C 62.055 . 1 332 28 28 SER CB C 62.728 . 1 333 28 28 SER N N 115.811 . 1 334 29 29 SER H H 8.286 . 1 335 29 29 SER HA H 4.318 . 1 336 29 29 SER HB2 H 4.051 . 2 337 29 29 SER HB3 H 3.983 . 2 338 29 29 SER C C 175.049 . 1 339 29 29 SER CA C 60.986 . 1 340 29 29 SER CB C 63.195 . 1 341 29 29 SER N N 121.137 . 1 342 30 30 LEU H H 6.900 . 1 343 30 30 LEU HA H 4.450 . 1 344 30 30 LEU HB2 H 1.575 . 2 345 30 30 LEU HB3 H 1.569 . 2 346 30 30 LEU HG H 0.820 . 1 347 30 30 LEU HD1 H 0.623 . 2 348 30 30 LEU HD2 H -0.136 . 2 349 30 30 LEU C C 176.082 . 1 350 30 30 LEU CA C 54.449 . 1 351 30 30 LEU CB C 42.791 . 1 352 30 30 LEU CG C 26.827 . 1 353 30 30 LEU CD1 C 22.700 . 1 354 30 30 LEU CD2 C 24.530 . 1 355 30 30 LEU N N 120.358 . 1 356 31 31 GLY H H 7.872 . 1 357 31 31 GLY HA2 H 4.126 . 2 358 31 31 GLY HA3 H 3.684 . 2 359 31 31 GLY C C 173.340 . 1 360 31 31 GLY CA C 44.365 . 1 361 31 31 GLY N N 107.135 . 1 362 32 32 ALA H H 7.394 . 1 363 32 32 ALA HA H 4.535 . 1 364 32 32 ALA HB H 1.251 . 1 365 32 32 ALA C C 177.150 . 1 366 32 32 ALA CA C 51.641 . 1 367 32 32 ALA CB C 20.473 . 1 368 32 32 ALA N N 121.760 . 1 369 33 33 THR H H 8.791 . 1 370 33 33 THR HA H 4.493 . 1 371 33 33 THR HB H 4.094 . 1 372 33 33 THR HG2 H 1.250 . 1 373 33 33 THR C C 173.714 . 1 374 33 33 THR CA C 61.854 . 1 375 33 33 THR CB C 70.938 . 1 376 33 33 THR CG2 C 20.990 . 1 377 33 33 THR N N 118.001 . 1 378 34 34 THR H H 8.600 . 1 379 34 34 THR HA H 5.120 . 1 380 34 34 THR HB H 3.951 . 1 381 34 34 THR HG2 H 1.110 . 1 382 34 34 THR C C 173.714 . 1 383 34 34 THR CA C 58.717 . 1 384 34 34 THR CB C 70.839 . 1 385 34 34 THR CG2 C 23.542 . 1 386 34 34 THR N N 117.577 . 1 387 35 35 VAL H H 8.619 . 1 388 35 35 VAL HA H 4.094 . 1 389 35 35 VAL HB H 1.605 . 1 390 35 35 VAL HG1 H 0.326 . 2 391 35 35 VAL HG2 H 0.702 . 2 392 35 35 VAL C C 173.821 . 1 393 35 35 VAL CA C 61.320 . 1 394 35 35 VAL CB C 34.958 . 1 395 35 35 VAL CG1 C 20.418 . 2 396 35 35 VAL CG2 C 21.700 . 1 397 35 35 VAL N N 123.776 . 1 398 36 36 LEU H H 8.568 . 1 399 36 36 LEU HA H 5.092 . 1 400 36 36 LEU HB2 H 1.813 . 2 401 36 36 LEU HB3 H 1.829 . 2 402 36 36 LEU HG H 1.645 . 1 403 36 36 LEU HD1 H 0.817 . 2 404 36 36 LEU HD2 H 0.823 . 2 405 36 36 LEU C C 175.655 . 1 406 36 36 LEU CA C 53.083 . 1 407 36 36 LEU CB C 43.616 . 1 408 36 36 LEU CG C 27.220 . 1 409 36 36 LEU CD1 C 24.219 . 1 410 36 36 LEU CD2 C 24.217 . 1 411 36 36 LEU N N 126.977 . 1 412 37 37 ALA H H 8.800 . 1 413 37 37 ALA HA H 4.706 . 1 414 37 37 ALA HB H 1.402 . 1 415 37 37 ALA C C 175.832 . 1 416 37 37 ALA CA C 50.172 . 1 417 37 37 ALA CB C 23.210 . 1 418 37 37 ALA N N 123.2700 . 1 419 38 38 ALA H H 9.367 . 1 420 38 38 ALA HA H 4.389 . 1 421 38 38 ALA HB H 1.472 . 1 422 38 38 ALA CA C 52.234 . 1 423 38 38 ALA CB C 20.3300 . 1 424 38 38 ALA N N 123.552 . 1 425 39 39 ASP H H 7.371 . 1 426 39 39 ASP HA H 4.546 . 1 427 39 39 ASP HB2 H 2.320 . 2 428 39 39 ASP HB3 H 2.684 . 2 429 39 39 ASP CA C 52.669 . 1 430 39 39 ASP CB C 43.046 . 1 431 39 39 ASP N N 109.6700 . 1 432 40 40 GLY H H 7.733 . 1 433 40 40 GLY HA2 H 3.694 . 2 434 40 40 GLY HA3 H 3.698 . 2 435 40 40 GLY C C 174.497 . 1 436 40 40 GLY CA C 47.569 . 1 437 40 40 GLY N N 108.403 . 1 438 41 41 VAL H H 8.124 . 1 439 41 41 VAL HA H 3.650 . 1 440 41 41 VAL HB H 2.183 . 1 441 41 41 VAL HG1 H 0.981 . 2 442 41 41 VAL HG2 H 0.981 . 2 443 41 41 VAL CA C 65.971 . 1 444 41 41 VAL CB C 31.694 . 1 445 41 41 VAL CG1 C 21.519 . 2 446 41 41 VAL CG2 C 23.667 . 2 447 41 41 VAL N N 122.9700 . 1 448 42 42 ASP H H 8.270 . 1 449 42 42 ASP HA H 4.454 . 1 450 42 42 ASP HB2 H 2.789 . 2 451 42 42 ASP HB3 H 2.795 . 2 452 42 42 ASP CA C 56.647 . 1 453 42 42 ASP CB C 41.634 . 1 454 42 42 ASP N N 121.757 . 1 455 43 43 ALA H H 8.054 . 1 456 43 43 ALA HA H 3.871 . 1 457 43 43 ALA HB H 1.470 . 1 458 43 43 ALA C C 178.039 . 1 459 43 43 ALA CA C 54.912 . 1 460 43 43 ALA CB C 20.005 . 1 461 43 43 ALA N N 119.441 . 1 462 44 44 LEU H H 7.892 . 1 463 44 44 LEU HA H 3.880 . 1 464 44 44 LEU HB2 H 1.604 . 2 465 44 44 LEU HB3 H 1.609 . 2 466 44 44 LEU HG H 1.631 . 1 467 44 44 LEU HD1 H 0.579 . 2 468 44 44 LEU HD2 H 0.572 . 2 469 44 44 LEU C C 179.749 . 1 470 44 44 LEU CA C 57.649 . 1 471 44 44 LEU CB C 41.701 . 1 472 44 44 LEU CG C 26.400 . 1 473 44 44 LEU CD1 C 24.200 . 1 474 44 44 LEU CD2 C 24.200 . 1 475 44 44 LEU N N 117.331 . 1 476 45 45 GLU H H 7.565 . 1 477 45 45 GLU HA H 4.082 . 1 478 45 45 GLU HB2 H 2.206 . 2 479 45 45 GLU HB3 H 2.206 . 2 480 45 45 GLU HG2 H 2.410 . 2 481 45 45 GLU HG3 H 2.415 . 2 482 45 45 GLU C C 180.372 . 1 483 45 45 GLU CA C 58.651 . 1 484 45 45 GLU CB C 29.751 . 1 485 45 45 GLU CG C 36.137 . 1 486 45 45 GLU N N 119.132 . 1 487 46 46 LEU H H 8.087 . 1 488 46 46 LEU HA H 4.154 . 1 489 46 46 LEU HB2 H 1.860 . 2 490 46 46 LEU HB3 H 1.876 . 2 491 46 46 LEU HG H 1.624 . 1 492 46 46 LEU HD1 H 0.805 . 2 493 46 46 LEU HD2 H 0.801 . 2 494 46 46 LEU CA C 57.023 . 1 495 46 46 LEU CB C 42.541 . 1 496 46 46 LEU CG C 26.867 . 1 497 46 46 LEU CD1 C 25.700 . 1 498 46 46 LEU CD2 C 25.741 . 1 499 46 46 LEU N N 121.606 . 1 500 47 47 LEU H H 8.206 . 1 501 47 47 LEU HA H 4.566 . 1 502 47 47 LEU HB2 H 1.844 . 2 503 47 47 LEU HB3 H 1.615 . 2 504 47 47 LEU HG H 1.861 . 1 505 47 47 LEU HD1 H 0.817 . 2 506 47 47 LEU HD2 H 0.812 . 2 507 47 47 LEU C C 177.737 . 1 508 47 47 LEU CA C 55.859 . 1 509 47 47 LEU CB C 42.301 . 1 510 47 47 LEU CG C 26.564 . 1 511 47 47 LEU CD1 C 24.100 . 1 512 47 47 LEU CD2 C 25.018 . 2 513 47 47 LEU N N 119.225 . 1 514 48 48 GLY H H 7.727 . 1 515 48 48 GLY HA2 H 4.100 . 2 516 48 48 GLY HA3 H 3.955 . 2 517 48 48 GLY C C 175.014 . 1 518 48 48 GLY CA C 46.10 . 1 519 48 48 GLY N N 106.383 . 1 520 49 49 GLY H H 7.901 . 1 521 49 49 GLY HA2 H 4.550 . 2 522 49 49 GLY HA3 H 3.862 . 2 523 49 49 GLY C C 173.394 . 1 524 49 49 GLY CA C 44.632 . 1 525 49 49 GLY N N 106.950 . 1 526 50 50 PHE H H 7.757 . 1 527 50 50 PHE HA H 4.912 . 1 528 50 50 PHE HB2 H 3.199 . 2 529 50 50 PHE HB3 H 3.095 . 2 530 50 50 PHE HD1 H 7.206 . 3 531 50 50 PHE HD2 H 7.206 . 3 532 50 50 PHE HE1 H 6.952 . 3 533 50 50 PHE HE2 H 6.959 . 3 534 50 50 PHE HZ H 6.905 . 1 535 50 50 PHE C C 172.148 . 1 536 50 50 PHE CA C 55.713 . 1 537 50 50 PHE CB C 40.899 . 1 538 50 50 PHE CD1 C 132.300 . 3 539 50 50 PHE CD2 C 132.300 . 3 540 50 50 PHE CE1 C 129.800 . 3 541 50 50 PHE CE2 C 129.800 . 3 542 50 50 PHE CZ C 128.700 . 1 543 50 50 PHE N N 121.530 . 1 544 51 51 THR H H 8.244 . 1 545 51 51 THR HA H 4.537 . 1 546 51 51 THR HB H 3.890 . 1 547 51 51 THR HG2 H 1.132 . 1 548 51 51 THR C C 172.166 . 1 549 51 51 THR CA C 57.649 . 1 550 51 51 THR CB C 70.671 . 1 551 51 51 THR CG2 C 21.417 . 1 552 51 51 THR N N 118.610 . 1 553 52 52 PRO HA H 4.091 . 1 554 52 52 PRO HB2 H 1.891 . 2 555 52 52 PRO HB3 H 1.924 . 2 556 52 52 PRO HG2 H 2.034 . 2 557 52 52 PRO HG3 H 2.033 . 2 558 52 52 PRO HD2 H 3.052 . 2 559 52 52 PRO HD3 H 3.054 . 2 560 52 52 PRO C C 174.764 . 1 561 52 52 PRO CA C 61.120 . 1 562 52 52 PRO CB C 31.955 . 1 563 52 52 PRO CG C 25.800 . 1 564 52 52 PRO CD C 44.000 . 1 565 53 53 ASP H H 9.250 . 1 566 53 53 ASP HA H 4.578 . 1 567 53 53 ASP HB2 H 2.324 . 2 568 53 53 ASP HB3 H 2.668 . 2 569 53 53 ASP C C 174.764 . 1 570 53 53 ASP CA C 56.113 . 1 571 53 53 ASP CB C 43.436 . 1 572 53 53 ASP N N 118.082 . 1 573 54 54 LEU H H 7.170 . 1 574 54 54 LEU HA H 4.578 . 1 575 54 54 LEU HB2 H 1.407 . 2 576 54 54 LEU HB3 H 1.703 . 2 577 54 54 LEU HG H 0.910 . 1 578 54 54 LEU HD1 H 0.964 . 2 579 54 54 LEU HD2 H 0.866 . 2 580 54 54 LEU CA C 54.378 . 1 581 54 54 LEU CB C 46.306 . 1 582 54 54 LEU CG C 27.200 . 1 583 54 54 LEU CD1 C 23.740 . 1 584 54 54 LEU CD2 C 23.441 . 1 585 54 54 LEU N N 114.613 . 1 586 55 55 MET H H 8.572 . 1 587 55 55 MET HA H 5.590 . 1 588 55 55 MET HB2 H 1.739 . 2 589 55 55 MET HB3 H 1.739 . 2 590 55 55 MET HG2 H 2.320 . 2 591 55 55 MET HG3 H 2.193 . 2 592 55 55 MET C C 175.191 . 1 593 55 55 MET CA C 53.310 . 1 594 55 55 MET CB C 37.628 . 1 595 55 55 MET CG C 31.997 . 1 596 55 55 MET N N 125.542 . 1 597 56 56 ILE H H 9.036 . 1 598 56 56 ILE HA H 5.398 . 1 599 56 56 ILE HB H 1.732 . 1 600 56 56 ILE HG12 H 1.450 . 9 601 56 56 ILE HG13 H 1.452 . 1 602 56 56 ILE HG2 H 0.912 . 1 603 56 56 ILE HD1 H 0.908 . 1 604 56 56 ILE C C 174.621 . 1 605 56 56 ILE CA C 58.273 . 1 606 56 56 ILE CB C 40.107 . 1 607 56 56 ILE CG1 C 27.709 . 1 608 56 56 ILE CG2 C 17.109 . 1 609 56 56 ILE CD1 C 14.081 . 1 610 56 56 ILE N N 126.4700 . 1 611 57 57 CYS H H 8.690 . 1 612 57 57 CYS HA H 4.790 . 1 613 57 57 CYS HB2 H 2.431 . 2 614 57 57 CYS HB3 H 2.431 . 2 615 57 57 CYS C C 173.749 . 1 616 57 57 CYS CA C 55.464 . 1 617 57 57 CYS CB C 31.033 . 1 618 57 57 CYS N N 122.379 . 1 619 58 58 ASP H H 9.044 . 1 620 58 58 ASP HA H 4.726 . 1 621 58 58 ASP HB2 H 2.985 . 2 622 58 58 ASP HB3 H 2.811 . 2 623 58 58 ASP CA C 55.283 . 1 624 58 58 ASP CB C 42.942 . 1 625 58 58 ASP N N 128.295 . 1 626 59 59 ILE H H 8.640 . 1 627 59 59 ILE HA H 4.426 . 1 628 59 59 ILE HB H 2.052 . 1 629 59 59 ILE HG2 H 0.358 . 1 630 59 59 ILE HD1 H 0.350 . 1 631 59 59 ILE CA C 56.366 . 1 632 59 59 ILE CB C 38.250 . 1 633 59 59 ILE CG2 C 17.056 . 1 634 59 59 ILE CD1 C 12.792 . 1 635 59 59 ILE N N 119.610 . 1 636 60 60 ALA H H 8.659 . 1 637 60 60 ALA HA H 4.388 . 1 638 60 60 ALA HB H 1.624 . 1 639 60 60 ALA CA C 53.850 . 1 640 60 60 ALA CB C 18.583 . 1 641 60 60 ALA N N 121.9700 . 1 642 61 61 MET H H 7.496 . 1 643 61 61 MET HA H 4.331 . 1 644 61 61 MET HB2 H 1.656 . 2 645 61 61 MET HB3 H 1.656 . 2 646 61 61 MET HG2 H 2.503 . 2 647 61 61 MET HG3 H 2.431 . 2 648 61 61 MET CA C 60.30 . 1 649 61 61 MET CB C 29.026 . 1 650 61 61 MET CG C 33.502 . 1 651 61 61 MET N N 112.728 . 1 652 62 62 PRO HA H 4.805 . 1 653 62 62 PRO HB2 H 1.926 . 2 654 62 62 PRO HB3 H 1.926 . 2 655 62 62 PRO HG2 H 1.973 . 2 656 62 62 PRO HG3 H 1.972 . 2 657 62 62 PRO CA C 60.093 . 1 658 62 62 PRO CB C 29.319 . 1 659 62 62 PRO CG C 25.800 . 1 660 63 63 ARG H H 8.975 . 1 661 63 63 ARG HA H 4.136 . 1 662 63 63 ARG HB2 H 1.863 . 2 663 63 63 ARG HB3 H 1.861 . 2 664 63 63 ARG HG2 H 1.467 . 2 665 63 63 ARG HG3 H 1.412 . 2 666 63 63 ARG HD2 H 3.009 . 2 667 63 63 ARG HD3 H 3.005 . 2 668 63 63 ARG CA C 56.839 . 1 669 63 63 ARG CB C 30.363 . 1 670 63 63 ARG CG C 24.600 . 1 671 63 63 ARG CD C 42.100 . 1 672 63 63 ARG N N 121.420 . 1 673 64 64 MET H H 7.200 . 1 674 64 64 MET HA H 4.499 . 1 675 64 64 MET HB2 H 1.910 . 2 676 64 64 MET HB3 H 1.910 . 2 677 64 64 MET HG2 H 2.336 . 2 678 64 64 MET HG3 H 2.336 . 2 679 64 64 MET CA C 55.326 . 1 680 64 64 MET CB C 32.716 . 1 681 64 64 MET N N 119.315 . 1 682 65 65 ASN HA H 4.767 . 1 683 65 65 ASN HB2 H 2.748 . 2 684 65 65 ASN HB3 H 2.794 . 2 685 65 65 ASN HD21 H 6.872 . 2 686 65 65 ASN HD22 H 7.544 . 2 687 65 65 ASN CA C 53.771 . 1 688 65 65 ASN CB C 38.701 . 1 689 65 65 ASN ND2 N 112.000 . 1 690 66 66 GLY H H 7.528 . 1 691 66 66 GLY HA2 H 4.523 . 2 692 66 66 GLY HA3 H 3.862 . 2 693 66 66 GLY CA C 44.4900 . 1 694 66 66 GLY N N 107.007 . 1 695 67 67 LEU H H 7.988 . 1 696 67 67 LEU HA H 4.550 . 1 697 67 67 LEU HB2 H 1.394 . 2 698 67 67 LEU HB3 H 1.387 . 2 699 67 67 LEU HG H 1.579 . 1 700 67 67 LEU HD1 H 0.900 . 2 701 67 67 LEU HD2 H 0.900 . 2 702 67 67 LEU CA C 54.679 . 1 703 67 67 LEU CB C 41.845 . 1 704 67 67 LEU CG C 26.802 . 1 705 67 67 LEU CD1 C 24.365 . 2 706 67 67 LEU CD2 C 24.387 . 2 707 67 67 LEU N N 122.124 . 1 708 68 68 LYS H H 8.980 . 1 709 68 68 LYS HA H 4.362 . 1 710 68 68 LYS HB2 H 1.989 . 2 711 68 68 LYS HB3 H 1.988 . 2 712 68 68 LYS CA C 56.918 . 1 713 68 68 LYS CB C 29.813 . 1 714 68 68 LYS N N 124.3700 . 1 715 69 69 LEU H H 8.620 . 1 716 69 69 LEU HA H 4.057 . 1 717 69 69 LEU HB2 H 1.642 . 2 718 69 69 LEU HB3 H 1.640 . 2 719 69 69 LEU HG H 1.642 . 1 720 69 69 LEU HD1 H 0.852 . 2 721 69 69 LEU HD2 H 0.848 . 2 722 69 69 LEU CA C 57.349 . 1 723 69 69 LEU CB C 43.106 . 1 724 69 69 LEU CG C 26.598 . 1 725 69 69 LEU CD1 C 24.031 . 2 726 69 69 LEU CD2 C 24.031 . 2 727 69 69 LEU N N 119.074 . 1 728 70 70 LEU H H 7.884 . 1 729 70 70 LEU HA H 4.062 . 1 730 70 70 LEU HB2 H 1.655 . 2 731 70 70 LEU HB3 H 1.846 . 2 732 70 70 LEU HG H 1.626 . 1 733 70 70 LEU HD1 H 0.805 . 2 734 70 70 LEU HD2 H 0.805 . 2 735 70 70 LEU C C 177.951 . 1 736 70 70 LEU CA C 57.315 . 1 737 70 70 LEU CB C 42.942 . 1 738 70 70 LEU CG C 26.840 . 1 739 70 70 LEU CD1 C 23.400 . 1 740 70 70 LEU CD2 C 23.400 . 1 741 70 70 LEU N N 119.0700 . 1 742 71 71 GLU H H 8.472 . 1 743 71 71 GLU HA H 3.819 . 1 744 71 71 GLU HB2 H 2.099 . 2 745 71 71 GLU HB3 H 2.099 . 2 746 71 71 GLU HG2 H 2.365 . 2 747 71 71 GLU HG3 H 2.232 . 2 748 71 71 GLU C C 178.182 . 1 749 71 71 GLU CA C 59.329 . 1 750 71 71 GLU CB C 30.552 . 1 751 71 71 GLU CG C 36.700 . 1 752 71 71 GLU N N 118.763 . 1 753 72 72 HIS H H 8.173 . 1 754 72 72 HIS HA H 4.221 . 1 755 72 72 HIS HB2 H 3.288 . 2 756 72 72 HIS HB3 H 3.283 . 2 757 72 72 HIS HD2 H 6.677 . 1 758 72 72 HIS C C 179.268 . 1 759 72 72 HIS CA C 60.119 . 1 760 72 72 HIS CB C 31.287 . 1 761 72 72 HIS CD2 C 120.000 . 1 762 72 72 HIS N N 118.571 . 1 763 73 73 ILE H H 8.293 . 1 764 73 73 ILE HA H 4.027 . 1 765 73 73 ILE HB H 2.212 . 1 766 73 73 ILE HG12 H 1.700 . 1 767 73 73 ILE HG13 H 1.705 . 9 768 73 73 ILE HG2 H 1.035 . 1 769 73 73 ILE HD1 H 0.774 . 1 770 73 73 ILE C C 178.503 . 1 771 73 73 ILE CA C 64.610 . 1 772 73 73 ILE CB C 37.462 . 1 773 73 73 ILE CG1 C 27.300 . 1 774 73 73 ILE CG2 C 18.341 . 1 775 73 73 ILE CD1 C 13.944 . 1 776 73 73 ILE N N 114.3700 . 1 777 74 74 ARG H H 8.592 . 1 778 74 74 ARG HA H 4.258 . 1 779 74 74 ARG HB2 H 1.705 . 2 780 74 74 ARG HB3 H 1.706 . 2 781 74 74 ARG HG2 H 1.452 . 2 782 74 74 ARG HG3 H 1.450 . 2 783 74 74 ARG HD2 H 3.023 . 2 784 74 74 ARG HD3 H 3.026 . 2 785 74 74 ARG C C 181.297 . 1 786 74 74 ARG CA C 57.115 . 1 787 74 74 ARG CB C 29.151 . 1 788 74 74 ARG CG C 24.700 . 1 789 74 74 ARG CD C 41.733 . 1 790 74 74 ARG N N 121.239 . 1 791 75 75 ASN H H 8.710 . 1 792 75 75 ASN HA H 4.550 . 1 793 75 75 ASN HB2 H 3.023 . 2 794 75 75 ASN HB3 H 2.803 . 2 795 75 75 ASN HD21 H 7.573 . 2 796 75 75 ASN HD22 H 6.944 . 2 797 75 75 ASN C C 176.829 . 1 798 75 75 ASN CA C 55.112 . 1 799 75 75 ASN CB C 38.096 . 1 800 75 75 ASN N N 120.308 . 1 801 75 75 ASN ND2 N 111.200 . 1 802 76 76 ARG H H 7.305 . 1 803 76 76 ARG HA H 4.530 . 1 804 76 76 ARG HB2 H 2.038 . 2 805 76 76 ARG HB3 H 1.842 . 2 806 76 76 ARG HG2 H 1.624 . 2 807 76 76 ARG HG3 H 1.624 . 2 808 76 76 ARG HD2 H 3.260 . 2 809 76 76 ARG HD3 H 3.260 . 2 810 76 76 ARG C C 176.278 . 1 811 76 76 ARG CA C 55.379 . 1 812 76 76 ARG CB C 30.552 . 1 813 76 76 ARG CG C 27.092 . 1 814 76 76 ARG CD C 43.172 . 1 815 76 76 ARG N N 116.609 . 1 816 77 77 GLY H H 7.820 . 1 817 77 77 GLY HA2 H 4.289 . 2 818 77 77 GLY HA3 H 3.766 . 2 819 77 77 GLY C C 174.213 . 1 820 77 77 GLY CA C 44.940 . 1 821 77 77 GLY N N 108.344 . 1 822 78 78 ASP H H 7.966 . 1 823 78 78 ASP HA H 4.535 . 1 824 78 78 ASP HB2 H 2.738 . 2 825 78 78 ASP HB3 H 2.558 . 2 826 78 78 ASP CA C 54.778 . 1 827 78 78 ASP CB C 41.70 . 1 828 78 78 ASP N N 121.649 . 1 829 79 79 GLN H H 8.335 . 1 830 79 79 GLN HA H 4.451 . 1 831 79 79 GLN HB2 H 1.831 . 2 832 79 79 GLN HB3 H 1.831 . 2 833 79 79 GLN HG2 H 2.320 . 2 834 79 79 GLN HG3 H 2.320 . 2 835 79 79 GLN HE21 H 7.306 . 2 836 79 79 GLN HE22 H 6.847 . 2 837 79 79 GLN CA C 54.244 . 1 838 79 79 GLN CB C 29.075 . 1 839 79 79 GLN CG C 33.700 . 1 840 79 79 GLN N N 120.790 . 1 841 79 79 GLN NE2 N 112.360 . 1 842 80 80 THR H H 7.974 . 1 843 80 80 THR HA H 4.805 . 1 844 80 80 THR HB H 3.618 . 1 845 80 80 THR HG2 H 1.121 . 1 846 80 80 THR CA C 61.971 . 1 847 80 80 THR CB C 71.451 . 1 848 80 80 THR CG2 C 21.200 . 1 849 80 80 THR N N 119.650 . 1 850 81 81 PRO HA H 4.774 . 1 851 81 81 PRO HB2 H 1.922 . 2 852 81 81 PRO HB3 H 1.922 . 2 853 81 81 PRO HG2 H 1.800 . 2 854 81 81 PRO HG3 H 1.798 . 2 855 81 81 PRO HD2 H 3.396 . 2 856 81 81 PRO HD3 H 3.279 . 2 857 81 81 PRO C C 175.655 . 1 858 81 81 PRO CA C 62.424 . 1 859 81 81 PRO CB C 32.601 . 1 860 81 81 PRO CG C 27.185 . 1 861 81 81 PRO CD C 42.700 . 1 862 82 82 VAL H H 8.559 . 1 863 82 82 VAL HA H 5.280 . 1 864 82 82 VAL HB H 1.839 . 1 865 82 82 VAL HG1 H 0.997 . 2 866 82 82 VAL HG2 H 0.869 . 2 867 82 82 VAL C C 174.925 . 1 868 82 82 VAL CA C 59.852 . 1 869 82 82 VAL CB C 37.028 . 1 870 82 82 VAL CG1 C 21.960 . 1 871 82 82 VAL CG2 C 22.542 . 2 872 82 82 VAL N N 122.597 . 1 873 83 83 LEU H H 8.800 . 1 874 83 83 LEU HA H 4.821 . 1 875 83 83 LEU HB2 H 1.447 . 2 876 83 83 LEU HB3 H 1.450 . 2 877 83 83 LEU HG H 1.400 . 1 878 83 83 LEU HD1 H 0.916 . 2 879 83 83 LEU HD2 H 0.912 . 2 880 83 83 LEU CA C 55.076 . 1 881 83 83 LEU CB C 40.822 . 1 882 83 83 LEU CG C 26.810 . 1 883 83 83 LEU CD1 C 24.186 . 2 884 83 83 LEU CD2 C 24.193 . 2 885 83 83 LEU N N 127.1700 . 1 886 84 84 VAL H H 8.980 . 1 887 84 84 VAL HA H 4.783 . 1 888 84 84 VAL HB H 1.973 . 1 889 84 84 VAL HG1 H 0.900 . 2 890 84 84 VAL HG2 H 0.726 . 2 891 84 84 VAL C C 174.034 . 1 892 84 84 VAL CA C 65.950 . 1 893 84 84 VAL CB C 34.371 . 1 894 84 84 VAL CG1 C 21.362 . 2 895 84 84 VAL CG2 C 21.800 . 1 896 84 84 VAL N N 129.220 . 1 897 85 85 ILE H H 8.410 . 1 898 85 85 ILE HA H 5.351 . 1 899 85 85 ILE HB H 1.847 . 1 900 85 85 ILE HG12 H 1.494 . 1 901 85 85 ILE HG13 H 1.468 . 1 902 85 85 ILE HG2 H 0.738 . 1 903 85 85 ILE HD1 H 0.860 . 1 904 85 85 ILE C C 175.529 . 1 905 85 85 ILE CA C 58.531 . 1 906 85 85 ILE CB C 39.831 . 1 907 85 85 ILE CG1 C 27.653 . 1 908 85 85 ILE CG2 C 20.500 . 1 909 85 85 ILE CD1 C 17.969 . 1 910 85 85 ILE N N 125.526 . 1 911 86 86 SER H H 8.595 . 1 912 86 86 SER HA H 4.799 . 1 913 86 86 SER HB2 H 3.476 . 2 914 86 86 SER HB3 H 3.365 . 2 915 86 86 SER CA C 56.247 . 1 916 86 86 SER CB C 66.199 . 1 917 86 86 SER N N 117.2700 . 1 918 87 87 ALA H H 7.735 . 1 919 87 87 ALA HA H 4.300 . 1 920 87 87 ALA HB H 0.889 . 1 921 87 87 ALA CA C 55.423 . 1 922 87 87 ALA CB C 18.092 . 1 923 87 87 ALA N N 118.4700 . 1 924 88 88 THR HA H 4.309 . 1 925 88 88 THR HB H 4.259 . 1 926 88 88 THR HG2 H 1.266 . 1 927 88 88 THR CA C 62.050 . 1 928 88 88 THR CB C 69.917 . 1 929 88 88 THR CG2 C 21.700 . 1 930 89 89 GLU H H 8.269 . 1 931 89 89 GLU HA H 4.267 . 1 932 89 89 GLU HB2 H 2.005 . 2 933 89 89 GLU HB3 H 2.004 . 2 934 89 89 GLU HG2 H 2.305 . 2 935 89 89 GLU HG3 H 2.305 . 2 936 89 89 GLU CA C 57.178 . 1 937 89 89 GLU CB C 29.319 . 1 938 89 89 GLU CG C 36.026 . 1 939 89 89 GLU N N 120.4700 . 1 940 90 90 ASN H H 7.194 . 1 941 90 90 ASN HA H 4.000 . 1 942 90 90 ASN HB2 H 2.747 . 2 943 90 90 ASN HB3 H 2.748 . 2 944 90 90 ASN HD21 H 6.810 . 2 945 90 90 ASN HD22 H 7.528 . 2 946 90 90 ASN CA C 53.028 . 1 947 90 90 ASN CB C 39.333 . 1 948 90 90 ASN N N 120.3700 . 1 949 90 90 ASN ND2 N 112.000 . 1 950 91 91 MET H H 7.924 . 1 951 91 91 MET HA H 4.783 . 1 952 91 91 MET HB2 H 1.798 . 2 953 91 91 MET HB3 H 2.020 . 2 954 91 91 MET CA C 56.038 . 1 955 91 91 MET CB C 31.685 . 1 956 91 91 MET N N 118.0700 . 1 957 92 92 ALA H H 7.724 . 1 958 92 92 ALA HA H 4.252 . 1 959 92 92 ALA HB H 1.500 . 1 960 92 92 ALA CA C 54.951 . 1 961 92 92 ALA CB C 18.564 . 1 962 92 92 ALA N N 121.3700 . 1 963 93 93 ASP H H 7.732 . 1 964 93 93 ASP HA H 4.515 . 1 965 93 93 ASP HB2 H 2.700 . 2 966 93 93 ASP HB3 H 2.699 . 2 967 93 93 ASP C C 178.2700 . 1 968 93 93 ASP CA C 56.446 . 1 969 93 93 ASP CB C 40.717 . 1 970 93 93 ASP N N 118.742 . 1 971 94 94 ILE H H 7.730 . 1 972 94 94 ILE HA H 3.516 . 1 973 94 94 ILE HB H 2.046 . 1 974 94 94 ILE HG12 H 1.816 . 1 975 94 94 ILE HG13 H 1.816 . 1 976 94 94 ILE HG2 H 0.894 . 1 977 94 94 ILE HD1 H 0.846 . 1 978 94 94 ILE CA C 65.048 . 1 979 94 94 ILE CB C 37.975 . 1 980 94 94 ILE CG1 C 29.100 . 1 981 94 94 ILE CG2 C 17.522 . 1 982 94 94 ILE CD1 C 13.200 . 1 983 94 94 ILE N N 121.5700 . 1 984 95 95 ALA H H 8.021 . 1 985 95 95 ALA HA H 4.014 . 1 986 95 95 ALA HB H 1.523 . 1 987 95 95 ALA C C 180.673 . 1 988 95 95 ALA CA C 54.941 . 1 989 95 95 ALA CB C 18.466 . 1 990 95 95 ALA N N 120.788 . 1 991 96 96 LYS H H 7.472 . 1 992 96 96 LYS HA H 3.948 . 1 993 96 96 LYS HB2 H 2.034 . 2 994 96 96 LYS HB3 H 2.034 . 2 995 96 96 LYS HG2 H 1.483 . 2 996 96 96 LYS HG3 H 1.483 . 2 997 96 96 LYS HD2 H 1.689 . 2 998 96 96 LYS HD3 H 1.689 . 2 999 96 96 LYS HE2 H 3.032 . 2 1000 96 96 LYS HE3 H 3.030 . 2 1001 96 96 LYS C C 178.681 . 1 1002 96 96 LYS CA C 55.882 . 1 1003 96 96 LYS CB C 31.550 . 1 1004 96 96 LYS CG C 24.549 . 1 1005 96 96 LYS CD C 28.983 . 1 1006 96 96 LYS CE C 42.000 . 1 1007 96 96 LYS N N 117.376 . 1 1008 97 97 ALA H H 8.000 . 1 1009 97 97 ALA HA H 3.887 . 1 1010 97 97 ALA HB H 1.404 . 1 1011 97 97 ALA C C 179.055 . 1 1012 97 97 ALA CA C 54.778 . 1 1013 97 97 ALA CB C 17.736 . 1 1014 97 97 ALA N N 122.376 . 1 1015 98 98 LEU H H 8.329 . 1 1016 98 98 LEU HA H 4.044 . 1 1017 98 98 LEU HB2 H 1.917 . 2 1018 98 98 LEU HB3 H 1.496 . 2 1019 98 98 LEU HG H 1.818 . 1 1020 98 98 LEU HD1 H 0.812 . 2 1021 98 98 LEU HD2 H 0.810 . 2 1022 98 98 LEU CA C 57.678 . 1 1023 98 98 LEU CB C 41.567 . 1 1024 98 98 LEU CG C 26.498 . 1 1025 98 98 LEU CD1 C 22.200 . 1 1026 98 98 LEU CD2 C 22.200 . 1 1027 98 98 LEU N N 116.391 . 1 1028 99 99 ARG H H 7.607 . 1 1029 99 99 ARG HA H 4.169 . 1 1030 99 99 ARG HB2 H 1.977 . 2 1031 99 99 ARG HB3 H 1.977 . 2 1032 99 99 ARG HG2 H 1.844 . 2 1033 99 99 ARG HG3 H 1.844 . 2 1034 99 99 ARG HD2 H 3.241 . 2 1035 99 99 ARG HD3 H 3.236 . 2 1036 99 99 ARG C C 177.896 . 1 1037 99 99 ARG CA C 58.250 . 1 1038 99 99 ARG CB C 30.353 . 1 1039 99 99 ARG CG C 27.616 . 1 1040 99 99 ARG CD C 43.593 . 1 1041 99 99 ARG N N 118.8700 . 1 1042 100 100 LEU H H 7.682 . 1 1043 100 100 LEU HA H 4.295 . 1 1044 100 100 LEU HB2 H 1.991 . 2 1045 100 100 LEU HB3 H 1.426 . 2 1046 100 100 LEU HG H 1.784 . 1 1047 100 100 LEU HD1 H 0.878 . 2 1048 100 100 LEU HD2 H 0.885 . 2 1049 100 100 LEU C C 177.238 . 1 1050 100 100 LEU CA C 55.429 . 1 1051 100 100 LEU CB C 43.094 . 1 1052 100 100 LEU CG C 26.736 . 1 1053 100 100 LEU CD1 C 23.100 . 1 1054 100 100 LEU CD2 C 23.100 . 1 1055 100 100 LEU N N 120.038 . 1 1056 101 101 GLY H H 7.681 . 1 1057 101 101 GLY HA2 H 4.311 . 2 1058 101 101 GLY HA3 H 3.807 . 2 1059 101 101 GLY C C 173.678 . 1 1060 101 101 GLY CA C 46.167 . 1 1061 101 101 GLY N N 108.715 . 1 1062 102 102 VAL H H 8.237 . 1 1063 102 102 VAL HA H 4.625 . 1 1064 102 102 VAL HB H 2.172 . 1 1065 102 102 VAL HG1 H 0.640 . 2 1066 102 102 VAL HG2 H 0.853 . 2 1067 102 102 VAL C C 175.548 . 1 1068 102 102 VAL CA C 60.059 . 1 1069 102 102 VAL CB C 34.758 . 1 1070 102 102 VAL CG1 C 19.300 . 1 1071 102 102 VAL CG2 C 23.265 . 1 1072 102 102 VAL N N 119.815 . 1 1073 103 103 GLU H H 9.225 . 1 1074 103 103 GLU HA H 4.110 . 1 1075 103 103 GLU HB2 H 2.197 . 2 1076 103 103 GLU HB3 H 1.828 . 2 1077 103 103 GLU HG2 H 2.420 . 2 1078 103 103 GLU HG3 H 2.418 . 2 1079 103 103 GLU CA C 57.762 . 1 1080 103 103 GLU CB C 30.424 . 1 1081 103 103 GLU CG C 36.557 . 1 1082 103 103 GLU N N 122.1700 . 1 1083 104 104 ASP H H 7.462 . 1 1084 104 104 ASP HA H 4.536 . 1 1085 104 104 ASP HB2 H 2.708 . 2 1086 104 104 ASP HB3 H 2.724 . 2 1087 104 104 ASP C C 173.713 . 1 1088 104 104 ASP CA C 52.242 . 1 1089 104 104 ASP CB C 43.970 . 1 1090 104 104 ASP N N 112.610 . 1 1091 105 105 VAL H H 9.238 . 1 1092 105 105 VAL HA H 4.782 . 1 1093 105 105 VAL HB H 1.880 . 1 1094 105 105 VAL HG1 H 0.758 . 2 1095 105 105 VAL HG2 H 0.750 . 2 1096 105 105 VAL C C 174.087 . 1 1097 105 105 VAL CA C 60.252 . 1 1098 105 105 VAL CB C 35.158 . 1 1099 105 105 VAL CG1 C 20.382 . 2 1100 105 105 VAL CG2 C 20.394 . 2 1101 105 105 VAL N N 118.8700 . 1 1102 106 106 LEU H H 9.210 . 1 1103 106 106 LEU HA H 4.515 . 1 1104 106 106 LEU HB2 H 1.696 . 2 1105 106 106 LEU HB3 H 1.399 . 2 1106 106 106 LEU HG H 1.530 . 1 1107 106 106 LEU HD1 H 0.900 . 2 1108 106 106 LEU HD2 H 0.906 . 2 1109 106 106 LEU C C 174.461 . 1 1110 106 106 LEU CA C 52.842 . 1 1111 106 106 LEU CB C 44.637 . 1 1112 106 106 LEU CG C 27.095 . 1 1113 106 106 LEU CD1 C 24.590 . 1 1114 106 106 LEU CD2 C 24.590 . 1 1115 106 106 LEU N N 129.363 . 1 1116 107 107 LEU H H 8.162 . 1 1117 107 107 LEU HA H 5.026 . 1 1118 107 107 LEU HB2 H 1.373 . 2 1119 107 107 LEU HB3 H 1.380 . 2 1120 107 107 LEU HG H 1.630 . 1 1121 107 107 LEU HD1 H 0.870 . 2 1122 107 107 LEU HD2 H 0.870 . 2 1123 107 107 LEU CA C 53.083 . 1 1124 107 107 LEU CB C 42.311 . 1 1125 107 107 LEU CG C 26.665 . 1 1126 107 107 LEU CD1 C 25.100 . 1 1127 107 107 LEU CD2 C 25.100 . 1 1128 107 107 LEU N N 125.110 . 1 1129 108 108 LYS H H 8.000 . 1 1130 108 108 LYS HA H 4.594 . 1 1131 108 108 LYS HB2 H 1.468 . 2 1132 108 108 LYS HB3 H 1.466 . 2 1133 108 108 LYS HG2 H 0.946 . 2 1134 108 108 LYS HG3 H 0.946 . 2 1135 108 108 LYS HD2 H 1.389 . 2 1136 108 108 LYS HD3 H 1.387 . 2 1137 108 108 LYS HE2 H 2.778 . 2 1138 108 108 LYS HE3 H 2.779 . 2 1139 108 108 LYS CA C 54.180 . 1 1140 108 108 LYS CB C 32.685 . 1 1141 108 108 LYS CG C 24.875 . 1 1142 108 108 LYS CD C 28.812 . 1 1143 108 108 LYS CE C 41.409 . 1 1144 108 108 LYS N N 119.4700 . 1 1145 109 109 PRO HD3 H 2.632 . 2 1146 109 109 PRO CA C 66.1900 . 1 1147 109 109 PRO CB C 31.802 . 1 1148 110 110 VAL H H 8.800 . 1 1149 110 110 VAL HA H 3.777 . 1 1150 110 110 VAL HB H 2.397 . 1 1151 110 110 VAL HG1 H 0.984 . 2 1152 110 110 VAL HG2 H 1.111 . 2 1153 110 110 VAL C C 175.014 . 1 1154 110 110 VAL CA C 66.1900 . 1 1155 110 110 VAL CB C 31.0300 . 1 1156 110 110 VAL CG1 C 20.418 . 1 1157 110 110 VAL CG2 C 22.337 . 2 1158 110 110 VAL N N 123.3700 . 1 1159 111 111 LYS H H 8.729 . 1 1160 111 111 LYS HA H 4.118 . 1 1161 111 111 LYS HB2 H 1.852 . 2 1162 111 111 LYS HB3 H 1.852 . 2 1163 111 111 LYS HG2 H 1.468 . 2 1164 111 111 LYS HG3 H 1.466 . 2 1165 111 111 LYS HD2 H 1.674 . 2 1166 111 111 LYS HD3 H 1.700 . 2 1167 111 111 LYS HE2 H 2.990 . 2 1168 111 111 LYS HE3 H 2.991 . 2 1169 111 111 LYS C C 175.494 . 1 1170 111 111 LYS CA C 57.919 . 1 1171 111 111 LYS CB C 32.244 . 1 1172 111 111 LYS CG C 24.647 . 1 1173 111 111 LYS CD C 28.421 . 1 1174 111 111 LYS CE C 41.503 . 1 1175 111 111 LYS N N 126.925 . 1 1176 112 112 ASP H H 7.908 . 1 1177 112 112 ASP HA H 4.109 . 1 1178 112 112 ASP HB2 H 1.829 . 2 1179 112 112 ASP HB3 H 1.910 . 2 1180 112 112 ASP C C 176.206 . 1 1181 112 112 ASP CA C 58.008 . 1 1182 112 112 ASP CB C 42.183 . 1 1183 112 112 ASP N N 121.3700 . 1 1184 113 113 LEU H H 8.165 . 1 1185 113 113 LEU HA H 3.996 . 1 1186 113 113 LEU HB2 H 1.295 . 2 1187 113 113 LEU HB3 H 1.297 . 2 1188 113 113 LEU HG H 0.561 . 1 1189 113 113 LEU HD1 H 0.812 . 2 1190 113 113 LEU HD2 H 0.812 . 2 1191 113 113 LEU CA C 57.460 . 1 1192 113 113 LEU CB C 42.810 . 1 1193 113 113 LEU CG C 26.464 . 1 1194 113 113 LEU CD1 C 24.340 . 1 1195 113 113 LEU CD2 C 24.342 . 1 1196 113 113 LEU N N 118.920 . 1 1197 114 114 ASN H H 8.655 . 1 1198 114 114 ASN HA H 4.790 . 1 1199 114 114 ASN HB2 H 2.981 . 2 1200 114 114 ASN HB3 H 2.803 . 2 1201 114 114 ASN HD21 H 7.060 . 2 1202 114 114 ASN HD22 H 7.881 . 2 1203 114 114 ASN CA C 56.307 . 1 1204 114 114 ASN CB C 38.154 . 1 1205 114 114 ASN N N 119.254 . 1 1206 114 114 ASN ND2 N 115.000 . 1 1207 115 115 ARG H H 7.912 . 1 1208 115 115 ARG HA H 4.190 . 1 1209 115 115 ARG HB2 H 1.868 . 2 1210 115 115 ARG HB3 H 1.871 . 2 1211 115 115 ARG HG2 H 1.746 . 2 1212 115 115 ARG HG3 H 1.746 . 2 1213 115 115 ARG HD2 H 3.252 . 2 1214 115 115 ARG HD3 H 3.252 . 2 1215 115 115 ARG C C 178.396 . 1 1216 115 115 ARG CA C 57.849 . 1 1217 115 115 ARG CB C 29.818 . 1 1218 115 115 ARG CG C 27.300 . 1 1219 115 115 ARG CD C 43.100 . 1 1220 115 115 ARG N N 120.7700 . 1 1221 116 116 LEU H H 7.236 . 1 1222 116 116 LEU HA H 3.983 . 1 1223 116 116 LEU HB2 H 1.455 . 2 1224 116 116 LEU HB3 H 1.085 . 2 1225 116 116 LEU HG H 0.874 . 1 1226 116 116 LEU HD1 H 0.671 . 2 1227 116 116 LEU HD2 H 0.089 . 2 1228 116 116 LEU C C 177.274 . 1 1229 116 116 LEU CA C 57.1900 . 1 1230 116 116 LEU CB C 41.00 . 1 1231 116 116 LEU CG C 26.020 . 1 1232 116 116 LEU CD1 C 23.865 . 1 1233 116 116 LEU CD2 C 25.600 . 1 1234 116 116 LEU N N 119.450 . 1 1235 117 117 ARG H H 7.931 . 1 1236 117 117 ARG HA H 3.821 . 1 1237 117 117 ARG HB2 H 2.051 . 2 1238 117 117 ARG HB3 H 2.124 . 2 1239 117 117 ARG HG2 H 1.403 . 2 1240 117 117 ARG HG3 H 1.400 . 2 1241 117 117 ARG HD2 H 3.200 . 2 1242 117 117 ARG HD3 H 3.201 . 2 1243 117 117 ARG C C 177.452 . 1 1244 117 117 ARG CA C 60.386 . 1 1245 117 117 ARG CB C 30.619 . 1 1246 117 117 ARG CG C 27.700 . 1 1247 117 117 ARG CD C 43.101 . 1 1248 117 117 ARG N N 118.843 . 1 1249 118 118 GLU H H 7.825 . 1 1250 118 118 GLU HA H 4.035 . 1 1251 118 118 GLU HB2 H 2.238 . 2 1252 118 118 GLU HB3 H 2.246 . 2 1253 118 118 GLU HG2 H 2.321 . 2 1254 118 118 GLU HG3 H 2.321 . 2 1255 118 118 GLU C C 179.801 . 1 1256 118 118 GLU CA C 59.051 . 1 1257 118 118 GLU CB C 30.018 . 1 1258 118 118 GLU CG C 36.250 . 1 1259 118 118 GLU N N 116.905 . 1 1260 119 119 MET H H 8.010 . 1 1261 119 119 MET HA H 4.330 . 1 1262 119 119 MET HB2 H 2.197 . 2 1263 119 119 MET HB3 H 2.106 . 2 1264 119 119 MET HG2 H 2.756 . 2 1265 119 119 MET HG3 H 2.759 . 2 1266 119 119 MET C C 178.930 . 1 1267 119 119 MET CA C 58.450 . 1 1268 119 119 MET CB C 33.823 . 1 1269 119 119 MET CG C 31.900 . 1 1270 119 119 MET N N 118.444 . 1 1271 120 120 VAL H H 8.680 . 1 1272 120 120 VAL HA H 3.580 . 1 1273 120 120 VAL HB H 2.390 . 1 1274 120 120 VAL HG1 H 0.989 . 2 1275 120 120 VAL HG2 H 1.166 . 2 1276 120 120 VAL C C 177.969 . 1 1277 120 120 VAL CA C 66.727 . 1 1278 120 120 VAL CB C 32.088 . 1 1279 120 120 VAL CG1 C 21.857 . 1 1280 120 120 VAL CG2 C 24.200 . 1 1281 120 120 VAL N N 120.480 . 1 1282 121 121 PHE H H 8.824 . 1 1283 121 121 PHE HA H 4.329 . 1 1284 121 121 PHE HB2 H 3.256 . 2 1285 121 121 PHE HB3 H 3.257 . 2 1286 121 121 PHE HD1 H 7.447 . 3 1287 121 121 PHE HD2 H 7.440 . 3 1288 121 121 PHE HE1 H 7.160 . 3 1289 121 121 PHE HE2 H 7.160 . 3 1290 121 121 PHE C C 177.969 . 1 1291 121 121 PHE CA C 60.586 . 1 1292 121 121 PHE CB C 37.495 . 1 1293 121 121 PHE CD1 C 130.800 . 3 1294 121 121 PHE CD2 C 130.800 . 3 1295 121 121 PHE CE1 C 130.600 . 3 1296 121 121 PHE CE2 C 130.600 . 3 1297 121 121 PHE N N 119.113 . 1 1298 122 122 ALA H H 7.884 . 1 1299 122 122 ALA HA H 4.360 . 1 1300 122 122 ALA HB H 1.661 . 1 1301 122 122 ALA C C 179.179 . 1 1302 122 122 ALA CA C 54.244 . 1 1303 122 122 ALA CB C 18.670 . 1 1304 122 122 ALA N N 120.017 . 1 1305 123 123 CYS H H 7.480 . 1 1306 123 123 CYS HA H 4.666 . 1 1307 123 123 CYS HB2 H 3.147 . 2 1308 123 123 CYS HB3 H 2.881 . 2 1309 123 123 CYS C C 175.601 . 1 1310 123 123 CYS CA C 60.119 . 1 1311 123 123 CYS CB C 29.084 . 1 1312 123 123 CYS N N 112.741 . 1 1313 124 124 LEU H H 7.738 . 1 1314 124 124 LEU HA H 4.450 . 1 1315 124 124 LEU HB2 H 1.538 . 2 1316 124 124 LEU HB3 H 1.170 . 2 1317 124 124 LEU HG H 1.816 . 1 1318 124 124 LEU HD1 H 0.778 . 2 1319 124 124 LEU HD2 H 0.733 . 2 1320 124 124 LEU C C 175.352 . 1 1321 124 124 LEU CA C 54.778 . 1 1322 124 124 LEU CB C 44.304 . 1 1323 124 124 LEU CG C 26.392 . 1 1324 124 124 LEU CD1 C 23.530 . 2 1325 124 124 LEU CD2 C 23.548 . 2 1326 124 124 LEU N N 118.720 . 1 1327 125 125 TYR H H 7.707 . 1 1328 125 125 TYR HA H 4.474 . 1 1329 125 125 TYR HB2 H 3.162 . 2 1330 125 125 TYR HB3 H 2.856 . 2 1331 125 125 TYR HD1 H 7.099 . 3 1332 125 125 TYR HD2 H 7.101 . 3 1333 125 125 TYR HE1 H 6.660 . 3 1334 125 125 TYR HE2 H 6.662 . 3 1335 125 125 TYR C C 180.603 . 1 1336 125 125 TYR CA C 58.984 . 1 1337 125 125 TYR CB C 40.499 . 1 1338 125 125 TYR CD1 C 133.000 . 3 1339 125 125 TYR CD2 C 133.300 . 3 1340 125 125 TYR CE1 C 117.700 . 3 1341 125 125 TYR CE2 C 117.700 . 3 1342 125 125 TYR N N 125.120 . 1 stop_ save_