data_27624 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Klebsiella pneumoniae sigma4 of sigmaS fused to the beta-flap-tip helix ; _BMRB_accession_number 27624 _BMRB_flat_file_name bmr27624.str _Entry_type original _Submission_date 2018-09-24 _Accession_date 2018-09-24 _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 Lou Yuan-Chao . . 2 Chen Chinpan . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 657 "13C chemical shifts" 380 "15N chemical shifts" 123 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2020-02-25 update BMRB 'update entry citation' 2019-08-15 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 27623 'Klebsiella pneumoniae sigma4 of sigma70 fused to the beta-flap-tip helix' stop_ _Original_release_date 2018-09-25 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Structural basis for -35 element recognition by sigma4 chimera proteins and their interactions with PmrA response regulator ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 31293000 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Lou Yuan-Chao . . 2 Chou Chun-Chi . . 3 Yeh Hsin-Hong . . 4 Chien Chia-Yu . . 5 Sadotra Sushant . . 6 Hsu Chun-Hua . . 7 Chen Chinpan . . stop_ _Journal_abbreviation Proteins _Journal_volume 88 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 69 _Page_last 81 _Year 2020 _Details . loop_ _Keyword 'CPMG relaxation dispersion' NMR 'PmrA reaponse regulator' 'X-ray crystal structure' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'sigma4-Sc monomer' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'sigma4-Sc monomer' $sigma4-Sc_monomer 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_sigma4-Sc_monomer _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common sigma4-Sc_monomer _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 115 _Mol_residue_sequence ; GAMGGPEDTTQDDDMKQSIV KWLFELNAKQREVLARRFGL LGYEAATLEDVGREIGLTRE RVRQIQVEGLRRLREILQGQ GLNIEALFREGSGSKGETQL TPEEKLLRAIFGEKA ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 ALA 3 MET 4 GLY 5 GLY 6 PRO 7 GLU 8 ASP 9 THR 10 THR 11 GLN 12 ASP 13 ASP 14 ASP 15 MET 16 LYS 17 GLN 18 SER 19 ILE 20 VAL 21 LYS 22 TRP 23 LEU 24 PHE 25 GLU 26 LEU 27 ASN 28 ALA 29 LYS 30 GLN 31 ARG 32 GLU 33 VAL 34 LEU 35 ALA 36 ARG 37 ARG 38 PHE 39 GLY 40 LEU 41 LEU 42 GLY 43 TYR 44 GLU 45 ALA 46 ALA 47 THR 48 LEU 49 GLU 50 ASP 51 VAL 52 GLY 53 ARG 54 GLU 55 ILE 56 GLY 57 LEU 58 THR 59 ARG 60 GLU 61 ARG 62 VAL 63 ARG 64 GLN 65 ILE 66 GLN 67 VAL 68 GLU 69 GLY 70 LEU 71 ARG 72 ARG 73 LEU 74 ARG 75 GLU 76 ILE 77 LEU 78 GLN 79 GLY 80 GLN 81 GLY 82 LEU 83 ASN 84 ILE 85 GLU 86 ALA 87 LEU 88 PHE 89 ARG 90 GLU 91 GLY 92 SER 93 GLY 94 SER 95 LYS 96 GLY 97 GLU 98 THR 99 GLN 100 LEU 101 THR 102 PRO 103 GLU 104 GLU 105 LYS 106 LEU 107 LEU 108 ARG 109 ALA 110 ILE 111 PHE 112 GLY 113 GLU 114 LYS 115 ALA 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 $sigma4-Sc_monomer 'Klebsiella pneumoniae' 573 Bacteria . Klebsiella pneumoniae 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 $sigma4-Sc_monomer 'recombinant technology' . Escherichia coli . pet-GB1 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 $sigma4-Sc_monomer 1.5 mM '[U-99% 13C; U-99% 15N]' Na2HPO4 20 mM 'natural abundance' NaCl 30 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_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _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_HNCO_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HCCH-COSY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-COSY' _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' 0.15 . M pH 6.0 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCACB' '3D HNCO' '3D HCCH-COSY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'sigma4-Sc monomer' _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 GLY HA2 H 3.8340 0.02 2 2 1 1 GLY CA C 43.0880 0.2 1 3 2 2 ALA H H 8.6810 0.02 1 4 2 2 ALA HA H 4.3400 0.02 1 5 2 2 ALA HB H 1.3880 0.02 1 6 2 2 ALA CA C 52.5470 0.2 1 7 2 2 ALA CB C 19.3190 0.2 1 8 2 2 ALA N N 123.8820 0.2 1 9 3 3 MET H H 8.5800 0.02 1 10 3 3 MET HA H 4.4900 0.02 1 11 3 3 MET HB2 H 2.0310 0.02 2 12 3 3 MET HB3 H 2.1230 0.02 2 13 3 3 MET HG2 H 2.5440 0.02 2 14 3 3 MET HG3 H 2.6210 0.02 2 15 3 3 MET CA C 55.4890 0.2 1 16 3 3 MET CB C 32.4270 0.2 1 17 3 3 MET CG C 31.9550 0.2 1 18 3 3 MET N N 119.5250 0.2 1 19 4 4 GLY H H 8.4990 0.02 1 20 4 4 GLY HA2 H 3.9920 0.02 2 21 4 4 GLY HA3 H 3.9920 0.02 2 22 4 4 GLY CA C 44.9860 0.2 1 23 4 4 GLY N N 110.4350 0.2 1 24 5 5 GLY H H 8.2160 0.02 1 25 5 5 GLY HA2 H 4.0470 0.02 2 26 5 5 GLY HA3 H 4.2160 0.02 2 27 5 5 GLY CA C 44.1510 0.2 1 28 5 5 GLY N N 109.0800 0.2 1 29 6 6 PRO HA H 4.3960 0.02 1 30 6 6 PRO HB2 H 1.9510 0.02 2 31 6 6 PRO HB3 H 2.2740 0.02 2 32 6 6 PRO HG2 H 2.0070 0.02 2 33 6 6 PRO HG3 H 2.0070 0.02 2 34 6 6 PRO HD2 H 3.6530 0.02 2 35 6 6 PRO HD3 H 3.6020 0.02 2 36 6 6 PRO CA C 63.2880 0.2 1 37 6 6 PRO CB C 31.9350 0.2 1 38 6 6 PRO CG C 26.9990 0.2 1 39 6 6 PRO CD C 49.5070 0.2 1 40 7 7 GLU H H 8.6660 0.02 1 41 7 7 GLU HA H 4.2610 0.02 1 42 7 7 GLU HB2 H 1.9100 0.02 2 43 7 7 GLU HB3 H 2.0720 0.02 2 44 7 7 GLU HG2 H 2.2670 0.02 2 45 7 7 GLU HG3 H 2.2670 0.02 2 46 7 7 GLU CA C 56.4960 0.2 1 47 7 7 GLU CB C 29.9610 0.2 1 48 7 7 GLU CG C 36.1210 0.2 1 49 7 7 GLU N N 120.0280 0.2 1 50 8 8 ASP H H 8.2290 0.02 1 51 8 8 ASP HA H 4.6810 0.02 1 52 8 8 ASP HB2 H 2.6450 0.02 2 53 8 8 ASP HB3 H 2.7600 0.02 2 54 8 8 ASP CA C 54.7980 0.2 1 55 8 8 ASP CB C 41.1360 0.2 1 56 8 8 ASP N N 121.1890 0.2 1 57 9 9 THR H H 8.1890 0.02 1 58 9 9 THR HA H 4.4410 0.02 1 59 9 9 THR HB H 4.3330 0.02 1 60 9 9 THR HG2 H 1.2010 0.02 1 61 9 9 THR CA C 61.7970 0.2 1 62 9 9 THR CB C 69.5340 0.2 1 63 9 9 THR CG2 C 21.3920 0.2 1 64 9 9 THR N N 114.5650 0.2 1 65 10 10 THR H H 8.3100 0.02 1 66 10 10 THR HA H 4.3150 0.02 1 67 10 10 THR HB H 4.2450 0.02 1 68 10 10 THR HG2 H 1.2190 0.02 1 69 10 10 THR CA C 62.5670 0.2 1 70 10 10 THR CB C 69.4680 0.2 1 71 10 10 THR CG2 C 21.6460 0.2 1 72 10 10 THR N N 116.4000 0.2 1 73 11 11 GLN H H 8.4190 0.02 1 74 11 11 GLN HA H 4.3340 0.02 1 75 11 11 GLN HB2 H 1.9810 0.02 2 76 11 11 GLN HB3 H 2.1270 0.02 2 77 11 11 GLN HG2 H 2.3590 0.02 2 78 11 11 GLN HG3 H 2.3590 0.02 2 79 11 11 GLN HE21 H 6.7530 0.02 2 80 11 11 GLN HE22 H 7.6140 0.02 2 81 11 11 GLN CA C 56.1410 0.2 1 82 11 11 GLN CB C 29.4140 0.2 1 83 11 11 GLN CG C 33.7710 0.2 1 84 11 11 GLN N N 122.2530 0.2 1 85 11 11 GLN NE2 N 112.6010 0.2 1 86 12 12 ASP H H 8.3480 0.02 1 87 12 12 ASP HA H 4.5390 0.02 1 88 12 12 ASP HB2 H 2.6650 0.02 2 89 12 12 ASP HB3 H 2.6650 0.02 2 90 12 12 ASP CA C 55.1470 0.2 1 91 12 12 ASP CB C 40.9940 0.2 1 92 12 12 ASP N N 121.6380 0.2 1 93 13 13 ASP H H 8.3030 0.02 1 94 13 13 ASP HA H 4.5140 0.02 1 95 13 13 ASP HB2 H 2.6920 0.02 2 96 13 13 ASP HB3 H 2.6920 0.02 2 97 13 13 ASP CA C 55.2340 0.2 1 98 13 13 ASP CB C 40.5230 0.2 1 99 13 13 ASP N N 121.0730 0.2 1 100 14 14 ASP H H 8.3130 0.02 1 101 14 14 ASP HA H 4.4660 0.02 1 102 14 14 ASP HB2 H 2.7190 0.02 2 103 14 14 ASP HB3 H 2.7190 0.02 2 104 14 14 ASP CA C 55.7310 0.2 1 105 14 14 ASP CB C 40.8770 0.2 1 106 14 14 ASP N N 120.8460 0.2 1 107 15 15 MET H H 8.4230 0.02 1 108 15 15 MET HA H 4.2450 0.02 1 109 15 15 MET HB2 H 2.1820 0.02 2 110 15 15 MET HB3 H 2.1820 0.02 2 111 15 15 MET HG2 H 2.5480 0.02 2 112 15 15 MET HG3 H 2.5480 0.02 2 113 15 15 MET CA C 57.5440 0.2 1 114 15 15 MET CB C 31.6660 0.2 1 115 15 15 MET CG C 32.0460 0.2 1 116 15 15 MET N N 121.3330 0.2 1 117 16 16 LYS H H 8.0830 0.02 1 118 16 16 LYS HA H 3.8480 0.02 1 119 16 16 LYS HB2 H 1.8490 0.02 2 120 16 16 LYS HB3 H 1.8490 0.02 2 121 16 16 LYS HG2 H 1.3010 0.02 2 122 16 16 LYS HG3 H 1.5630 0.02 2 123 16 16 LYS HD2 H 1.7040 0.02 2 124 16 16 LYS HD3 H 1.7040 0.02 2 125 16 16 LYS HE2 H 3.0040 0.02 2 126 16 16 LYS HE3 H 3.0040 0.02 2 127 16 16 LYS CA C 60.0980 0.2 1 128 16 16 LYS CB C 32.1050 0.2 1 129 16 16 LYS CG C 24.9700 0.2 1 130 16 16 LYS CD C 29.5310 0.2 1 131 16 16 LYS CE C 41.7110 0.2 1 132 16 16 LYS N N 119.2000 0.2 1 133 17 17 GLN H H 8.0080 0.02 1 134 17 17 GLN HA H 4.0900 0.02 1 135 17 17 GLN HB2 H 2.0570 0.02 2 136 17 17 GLN HB3 H 2.0570 0.02 2 137 17 17 GLN HG2 H 2.4520 0.02 2 138 17 17 GLN HG3 H 2.3840 0.02 2 139 17 17 GLN HE21 H 6.8080 0.02 2 140 17 17 GLN HE22 H 7.5220 0.02 2 141 17 17 GLN CA C 57.6420 0.2 1 142 17 17 GLN CB C 28.5570 0.2 1 143 17 17 GLN CG C 33.9370 0.2 1 144 17 17 GLN N N 116.4040 0.2 1 145 17 17 GLN NE2 N 112.0410 0.2 1 146 18 18 SER H H 8.0850 0.02 1 147 18 18 SER CA C 60.9650 0.2 1 148 18 18 SER CB C 62.4980 0.2 1 149 18 18 SER N N 117.5010 0.2 1 150 19 19 ILE H H 7.9270 0.02 1 151 19 19 ILE HA H 3.8170 0.02 1 152 19 19 ILE HB H 2.0410 0.02 1 153 19 19 ILE HG12 H 1.3240 0.02 2 154 19 19 ILE HG13 H 1.5350 0.02 2 155 19 19 ILE HG2 H 0.9160 0.02 1 156 19 19 ILE HD1 H 0.8730 0.02 1 157 19 19 ILE CA C 63.3730 0.2 1 158 19 19 ILE CB C 37.0170 0.2 1 159 19 19 ILE CG1 C 29.6480 0.2 1 160 19 19 ILE CG2 C 18.4590 0.2 1 161 19 19 ILE CD1 C 13.1950 0.2 1 162 19 19 ILE N N 120.3060 0.2 1 163 20 20 VAL H H 7.3460 0.02 1 164 20 20 VAL HA H 3.4810 0.02 1 165 20 20 VAL HB H 2.0840 0.02 1 166 20 20 VAL HG1 H 0.9950 0.02 2 167 20 20 VAL HG2 H 1.0780 0.02 2 168 20 20 VAL CA C 67.4670 0.2 1 169 20 20 VAL CB C 31.5590 0.2 1 170 20 20 VAL CG1 C 21.5000 0.2 2 171 20 20 VAL CG2 C 22.9030 0.2 2 172 20 20 VAL N N 118.6620 0.2 1 173 21 21 LYS H H 7.3400 0.02 1 174 21 21 LYS HA H 3.9730 0.02 1 175 21 21 LYS HB2 H 1.6950 0.02 2 176 21 21 LYS HB3 H 1.6950 0.02 2 177 21 21 LYS HG2 H 1.2180 0.02 2 178 21 21 LYS HG3 H 1.2180 0.02 1 179 21 21 LYS CA C 59.5680 0.2 1 180 21 21 LYS CB C 31.4940 0.2 1 181 21 21 LYS CG C 24.7180 0.2 1 182 21 21 LYS CD C 28.0210 0.2 1 183 21 21 LYS N N 117.8380 0.2 1 184 22 22 TRP H H 8.2340 0.02 1 185 22 22 TRP HA H 4.5650 0.02 1 186 22 22 TRP HB2 H 3.0310 0.02 2 187 22 22 TRP HB3 H 3.2360 0.02 2 188 22 22 TRP HD1 H 7.1450 0.02 1 189 22 22 TRP HE1 H 10.0880 0.02 1 190 22 22 TRP HE3 H 7.2190 0.02 1 191 22 22 TRP HZ2 H 7.3510 0.02 1 192 22 22 TRP HZ3 H 6.8380 0.02 1 193 22 22 TRP HH2 H 7.0070 0.02 1 194 22 22 TRP CA C 59.2540 0.2 1 195 22 22 TRP CB C 28.1130 0.2 1 196 22 22 TRP CD1 C 125.2100 0.2 1 197 22 22 TRP CE3 C 120.0200 0.2 1 198 22 22 TRP CZ2 C 114.0600 0.2 1 199 22 22 TRP CZ3 C 120.9800 0.2 1 200 22 22 TRP CH2 C 124.0500 0.2 1 201 22 22 TRP N N 120.2160 0.2 1 202 22 22 TRP NE1 N 127.7030 0.2 1 203 23 23 LEU H H 8.5650 0.02 1 204 23 23 LEU HA H 3.9800 0.02 1 205 23 23 LEU HB2 H 1.0720 0.02 2 206 23 23 LEU HB3 H 2.1110 0.02 2 207 23 23 LEU HG H 0.8340 0.02 1 208 23 23 LEU HD1 H 0.8150 0.02 2 209 23 23 LEU HD2 H 0.8150 0.02 2 210 23 23 LEU CA C 57.9950 0.2 1 211 23 23 LEU CB C 41.3630 0.2 1 212 23 23 LEU CG C 26.2520 0.2 1 213 23 23 LEU CD1 C 23.9320 0.2 2 214 23 23 LEU CD2 C 23.9340 0.2 2 215 23 23 LEU N N 117.7230 0.2 1 216 24 24 PHE H H 7.9460 0.02 1 217 24 24 PHE HA H 4.4100 0.02 1 218 24 24 PHE HB2 H 3.0510 0.02 2 219 24 24 PHE HB3 H 3.3800 0.02 2 220 24 24 PHE HD1 H 7.5030 0.02 3 221 24 24 PHE HE1 H 7.2860 0.02 3 222 24 24 PHE CA C 61.1410 0.2 1 223 24 24 PHE CB C 38.1000 0.2 1 224 24 24 PHE CD1 C 131.4580 0.2 3 225 24 24 PHE CE1 C 129.5830 0.2 3 226 24 24 PHE N N 116.6160 0.2 1 227 25 25 GLU H H 7.8120 0.02 1 228 25 25 GLU HA H 4.4630 0.02 1 229 25 25 GLU HB2 H 2.3550 0.02 2 230 25 25 GLU HB3 H 2.3550 0.02 2 231 25 25 GLU HG2 H 2.6560 0.02 2 232 25 25 GLU HG3 H 2.4080 0.02 2 233 25 25 GLU CA C 56.9730 0.2 1 234 25 25 GLU CB C 29.7250 0.2 1 235 25 25 GLU CG C 36.3300 0.2 1 236 25 25 GLU N N 118.5090 0.2 1 237 26 26 LEU H H 7.0230 0.02 1 238 26 26 LEU HA H 4.4960 0.02 1 239 26 26 LEU HB2 H 1.9310 0.02 2 240 26 26 LEU HB3 H 1.9310 0.02 2 241 26 26 LEU HG H 1.9420 0.02 1 242 26 26 LEU HD1 H 0.8280 0.02 2 243 26 26 LEU HD2 H 0.7780 0.02 2 244 26 26 LEU CA C 53.4740 0.2 1 245 26 26 LEU CB C 42.7790 0.2 1 246 26 26 LEU CG C 26.6580 0.2 1 247 26 26 LEU CD1 C 22.3200 0.2 2 248 26 26 LEU CD2 C 26.7850 0.2 2 249 26 26 LEU N N 117.8060 0.2 1 250 27 27 ASN H H 7.9230 0.02 1 251 27 27 ASN HA H 4.6410 0.02 1 252 27 27 ASN HB2 H 2.7250 0.02 2 253 27 27 ASN HB3 H 3.2250 0.02 2 254 27 27 ASN HD21 H 6.8130 0.02 2 255 27 27 ASN HD22 H 7.5960 0.02 2 256 27 27 ASN CA C 52.6220 0.2 1 257 27 27 ASN CB C 38.2700 0.2 1 258 27 27 ASN N N 116.5600 0.2 1 259 27 27 ASN ND2 N 112.7260 0.2 1 260 28 28 ALA H H 8.5800 0.02 1 261 28 28 ALA HA H 3.8640 0.02 1 262 28 28 ALA HB H 1.4560 0.02 1 263 28 28 ALA CA C 55.9360 0.2 1 264 28 28 ALA CB C 18.5840 0.2 1 265 28 28 ALA N N 121.0520 0.2 1 266 29 29 LYS H H 8.1520 0.02 1 267 29 29 LYS HA H 4.1450 0.02 1 268 29 29 LYS HB2 H 1.7300 0.02 2 269 29 29 LYS HB3 H 1.9160 0.02 2 270 29 29 LYS HG2 H 1.5380 0.02 2 271 29 29 LYS HG3 H 1.5110 0.02 2 272 29 29 LYS HD2 H 1.8620 0.02 2 273 29 29 LYS HD3 H 1.8620 0.02 2 274 29 29 LYS HE2 H 2.9490 0.02 2 275 29 29 LYS HE3 H 2.9490 0.02 2 276 29 29 LYS CA C 58.5790 0.2 1 277 29 29 LYS CB C 31.6190 0.2 1 278 29 29 LYS CG C 24.6890 0.2 1 279 29 29 LYS CD C 28.1680 0.2 1 280 29 29 LYS CE C 41.9250 0.2 1 281 29 29 LYS N N 118.6960 0.2 1 282 30 30 GLN H H 8.0290 0.02 1 283 30 30 GLN HA H 3.6690 0.02 1 284 30 30 GLN HB2 H 1.6590 0.02 2 285 30 30 GLN HB3 H 2.2530 0.02 2 286 30 30 GLN HG2 H 2.6590 0.02 2 287 30 30 GLN HG3 H 2.3980 0.02 2 288 30 30 GLN HE21 H 6.6880 0.02 2 289 30 30 GLN HE22 H 7.7370 0.02 2 290 30 30 GLN CA C 58.6340 0.2 1 291 30 30 GLN CB C 29.4100 0.2 1 292 30 30 GLN CG C 33.6860 0.2 1 293 30 30 GLN N N 117.5030 0.2 1 294 30 30 GLN NE2 N 109.2650 0.2 1 295 31 31 ARG H H 8.2540 0.02 1 296 31 31 ARG HA H 3.7120 0.02 1 297 31 31 ARG HB2 H 1.8630 0.02 2 298 31 31 ARG HB3 H 1.7900 0.02 2 299 31 31 ARG HG2 H 1.5760 0.02 2 300 31 31 ARG HG3 H 1.5760 0.02 2 301 31 31 ARG HD2 H 3.1990 0.02 2 302 31 31 ARG HD3 H 3.1990 0.02 2 303 31 31 ARG CA C 59.6470 0.2 1 304 31 31 ARG CB C 29.5280 0.2 1 305 31 31 ARG CG C 27.5230 0.2 1 306 31 31 ARG CD C 43.9530 0.2 1 307 31 31 ARG N N 117.6130 0.2 1 308 32 32 GLU H H 8.0180 0.02 1 309 32 32 GLU HA H 3.8360 0.02 1 310 32 32 GLU HB2 H 1.9250 0.02 2 311 32 32 GLU HB3 H 2.1670 0.02 2 312 32 32 GLU HG2 H 2.2420 0.02 2 313 32 32 GLU HG3 H 2.2420 0.02 2 314 32 32 GLU CA C 59.7250 0.2 1 315 32 32 GLU CB C 29.3320 0.2 1 316 32 32 GLU CG C 36.3300 0.2 1 317 32 32 GLU N N 117.8430 0.2 1 318 33 33 VAL H H 8.1100 0.02 1 319 33 33 VAL HA H 3.2760 0.02 1 320 33 33 VAL HB H 2.0240 0.02 1 321 33 33 VAL HG1 H 0.7850 0.02 2 322 33 33 VAL HG2 H 0.9220 0.02 2 323 33 33 VAL CA C 68.0150 0.2 1 324 33 33 VAL CB C 31.5600 0.2 1 325 33 33 VAL CG1 C 21.0020 0.2 2 326 33 33 VAL CG2 C 24.4530 0.2 2 327 33 33 VAL N N 116.9790 0.2 1 328 34 34 LEU H H 8.0770 0.02 1 329 34 34 LEU HA H 4.0000 0.02 1 330 34 34 LEU HB2 H 1.1630 0.02 2 331 34 34 LEU HB3 H 1.8840 0.02 2 332 34 34 LEU HG H 0.6790 0.02 1 333 34 34 LEU HD1 H 0.9510 0.02 2 334 34 34 LEU HD2 H 0.9510 0.02 2 335 34 34 LEU CA C 58.2250 0.2 1 336 34 34 LEU CB C 41.3710 0.2 1 337 34 34 LEU CG C 26.4790 0.2 1 338 34 34 LEU CD1 C 23.6780 0.2 2 339 34 34 LEU CD2 C 23.6780 0.2 2 340 34 34 LEU N N 116.1000 0.2 1 341 35 35 ALA H H 8.9070 0.02 1 342 35 35 ALA HA H 4.0490 0.02 1 343 35 35 ALA HB H 1.5340 0.02 1 344 35 35 ALA CA C 55.9210 0.2 1 345 35 35 ALA CB C 18.0240 0.2 1 346 35 35 ALA N N 120.6890 0.2 1 347 36 36 ARG H H 8.1890 0.02 1 348 36 36 ARG HA H 3.7520 0.02 1 349 36 36 ARG HB2 H 1.3950 0.02 2 350 36 36 ARG HB3 H 1.5730 0.02 2 351 36 36 ARG HG2 H 0.6230 0.02 2 352 36 36 ARG HG3 H 0.9680 0.02 2 353 36 36 ARG HD2 H 2.9730 0.02 2 354 36 36 ARG HD3 H 2.9730 0.02 2 355 36 36 ARG HE H 8.4280 0.02 1 356 36 36 ARG CA C 58.6490 0.2 1 357 36 36 ARG CB C 31.4600 0.2 1 358 36 36 ARG CG C 28.1860 0.2 1 359 36 36 ARG CD C 43.6390 0.2 1 360 36 36 ARG N N 116.6980 0.2 1 361 36 36 ARG NE N 85.6220 0.2 1 362 37 37 ARG H H 8.0950 0.02 1 363 37 37 ARG HA H 4.3250 0.02 1 364 37 37 ARG HB2 H 0.9560 0.02 2 365 37 37 ARG HB3 H 1.7060 0.02 2 366 37 37 ARG HG2 H 1.2480 0.02 2 367 37 37 ARG CA C 56.2870 0.2 1 368 37 37 ARG CB C 28.4310 0.2 1 369 37 37 ARG CG C 27.8640 0.2 1 370 37 37 ARG CD C 40.7110 0.2 1 371 37 37 ARG N N 116.1000 0.2 1 372 38 38 PHE H H 7.8640 0.02 1 373 38 38 PHE HA H 4.4410 0.02 1 374 38 38 PHE HB2 H 2.6930 0.02 2 375 38 38 PHE HB3 H 3.2780 0.02 2 376 38 38 PHE HD1 H 7.4190 0.02 3 377 38 38 PHE HE1 H 7.0180 0.02 3 378 38 38 PHE CA C 58.8410 0.2 1 379 38 38 PHE CB C 39.1710 0.2 1 380 38 38 PHE CD1 C 132.0680 0.2 3 381 38 38 PHE CE1 C 129.0420 0.2 3 382 38 38 PHE N N 111.1830 0.2 1 383 39 39 GLY H H 7.8750 0.02 1 384 39 39 GLY HA2 H 3.6090 0.02 2 385 39 39 GLY HA3 H 3.9740 0.02 2 386 39 39 GLY CA C 47.6350 0.2 1 387 39 39 GLY N N 110.6210 0.2 1 388 40 40 LEU H H 8.7370 0.02 1 389 40 40 LEU HA H 4.8090 0.02 1 390 40 40 LEU HB2 H 1.4150 0.02 2 391 40 40 LEU HB3 H 1.6120 0.02 2 392 40 40 LEU HG H 1.5680 0.02 1 393 40 40 LEU HD1 H 0.8530 0.02 2 394 40 40 LEU HD2 H 0.8530 0.02 2 395 40 40 LEU CA C 52.9720 0.2 1 396 40 40 LEU CB C 45.4820 0.2 1 397 40 40 LEU CG C 28.0090 0.2 1 398 40 40 LEU CD1 C 24.5000 0.2 2 399 40 40 LEU CD2 C 24.5000 0.2 2 400 40 40 LEU N N 119.6470 0.2 1 401 41 41 LEU H H 8.9760 0.02 1 402 41 41 LEU HA H 3.8930 0.02 1 403 41 41 LEU HB2 H 1.6480 0.02 2 404 41 41 LEU HB3 H 2.0320 0.02 2 405 41 41 LEU HG H 1.4160 0.02 1 406 41 41 LEU HD1 H 1.0170 0.02 2 407 41 41 LEU HD2 H 0.8040 0.02 2 408 41 41 LEU CA C 55.2870 0.2 1 409 41 41 LEU CB C 38.5670 0.2 1 410 41 41 LEU CG C 26.1040 0.2 1 411 41 41 LEU CD1 C 22.8600 0.2 2 412 41 41 LEU CD2 C 25.8900 0.2 2 413 41 41 LEU N N 111.6810 0.2 1 414 42 42 GLY H H 8.4260 0.02 1 415 42 42 GLY HA2 H 3.4320 0.02 2 416 42 42 GLY HA3 H 4.0490 0.02 2 417 42 42 GLY CA C 44.7300 0.2 1 418 42 42 GLY N N 105.2460 0.2 1 419 43 43 TYR H H 7.3810 0.02 1 420 43 43 TYR HA H 4.4700 0.02 1 421 43 43 TYR HB2 H 2.8730 0.02 2 422 43 43 TYR HB3 H 3.2520 0.02 2 423 43 43 TYR HD1 H 7.2780 0.02 3 424 43 43 TYR HD2 H 7.2780 0.02 3 425 43 43 TYR HE1 H 6.7060 0.02 3 426 43 43 TYR HE2 H 6.7060 0.02 3 427 43 43 TYR CA C 58.2440 0.2 1 428 43 43 TYR CB C 38.6260 0.2 1 429 43 43 TYR CD1 C 133.5400 0.2 3 430 43 43 TYR CD2 C 133.5400 0.2 3 431 43 43 TYR CE1 C 117.5500 0.2 3 432 43 43 TYR CE2 C 117.5500 0.2 3 433 43 43 TYR N N 120.5260 0.2 1 434 44 44 GLU H H 8.4320 0.02 1 435 44 44 GLU HA H 4.4410 0.02 1 436 44 44 GLU HB2 H 1.8830 0.02 2 437 44 44 GLU HB3 H 2.0090 0.02 2 438 44 44 GLU HG2 H 2.2910 0.02 2 439 44 44 GLU HG3 H 2.2910 0.02 2 440 44 44 GLU CA C 54.8300 0.2 1 441 44 44 GLU CB C 30.5900 0.2 1 442 44 44 GLU CG C 36.2220 0.2 1 443 44 44 GLU N N 120.2460 0.2 1 444 45 45 ALA H H 8.4430 0.02 1 445 45 45 ALA HA H 3.9390 0.02 1 446 45 45 ALA HB H 1.1330 0.02 1 447 45 45 ALA CA C 53.3260 0.2 1 448 45 45 ALA CB C 18.4660 0.2 1 449 45 45 ALA N N 125.5490 0.2 1 450 46 46 ALA H H 8.1140 0.02 1 451 46 46 ALA HA H 4.9090 0.02 1 452 46 46 ALA HB H 1.3680 0.02 1 453 46 46 ALA CA C 50.2890 0.2 1 454 46 46 ALA CB C 23.4790 0.2 1 455 46 46 ALA N N 126.1070 0.2 1 456 47 47 THR H H 8.4010 0.02 1 457 47 47 THR HA H 4.0850 0.02 1 458 47 47 THR HB H 4.6810 0.02 1 459 47 47 THR HG2 H 1.3860 0.02 1 460 47 47 THR CA C 61.1150 0.2 1 461 47 47 THR CB C 71.3180 0.2 1 462 47 47 THR CG2 C 21.8790 0.2 1 463 47 47 THR N N 109.9260 0.2 1 464 48 48 LEU H H 8.7920 0.02 1 465 48 48 LEU HA H 3.6590 0.02 1 466 48 48 LEU HB2 H 1.3450 0.02 2 467 48 48 LEU HB3 H 1.6840 0.02 2 468 48 48 LEU HG H 1.5960 0.02 1 469 48 48 LEU HD1 H 0.8590 0.02 2 470 48 48 LEU HD2 H 0.7530 0.02 2 471 48 48 LEU CA C 58.9580 0.2 1 472 48 48 LEU CB C 43.2110 0.2 1 473 48 48 LEU CG C 27.0200 0.2 1 474 48 48 LEU CD1 C 25.1500 0.2 2 475 48 48 LEU CD2 C 23.2760 0.2 2 476 48 48 LEU N N 120.0060 0.2 1 477 49 49 GLU H H 9.0110 0.02 1 478 49 49 GLU HA H 3.8360 0.02 1 479 49 49 GLU HB2 H 1.8580 0.02 2 480 49 49 GLU HB3 H 2.0450 0.02 2 481 49 49 GLU HG2 H 2.1920 0.02 2 482 49 49 GLU HG3 H 2.5070 0.02 2 483 49 49 GLU CA C 60.1190 0.2 1 484 49 49 GLU CB C 28.8600 0.2 1 485 49 49 GLU CG C 36.9990 0.2 1 486 49 49 GLU N N 115.8910 0.2 1 487 50 50 ASP H H 7.7870 0.02 1 488 50 50 ASP HA H 4.4360 0.02 1 489 50 50 ASP HB2 H 2.6910 0.02 2 490 50 50 ASP HB3 H 2.8290 0.02 2 491 50 50 ASP CA C 57.5240 0.2 1 492 50 50 ASP CB C 40.1440 0.2 1 493 50 50 ASP N N 122.4670 0.2 1 494 51 51 VAL H H 8.6480 0.02 1 495 51 51 VAL HA H 3.4740 0.02 1 496 51 51 VAL HB H 2.0450 0.02 1 497 51 51 VAL HG1 H 0.8660 0.02 2 498 51 51 VAL HG2 H 0.7740 0.02 2 499 51 51 VAL CA C 67.0520 0.2 1 500 51 51 VAL CB C 31.2840 0.2 1 501 51 51 VAL CG1 C 23.9610 0.2 2 502 51 51 VAL CG2 C 23.1450 0.2 2 503 51 51 VAL N N 121.1180 0.2 1 504 52 52 GLY H H 8.2950 0.02 1 505 52 52 GLY HA2 H 3.3910 0.02 2 506 52 52 GLY HA3 H 3.6530 0.02 2 507 52 52 GLY CA C 48.7420 0.2 1 508 52 52 GLY N N 105.1360 0.2 1 509 53 53 ARG H H 7.8170 0.02 1 510 53 53 ARG HA H 4.0100 0.02 1 511 53 53 ARG HB2 H 1.9780 0.02 2 512 53 53 ARG HB3 H 1.9780 0.02 2 513 53 53 ARG HG2 H 1.7550 0.02 2 514 53 53 ARG HG3 H 1.5820 0.02 2 515 53 53 ARG HD2 H 3.2560 0.02 2 516 53 53 ARG HD3 H 3.2560 0.02 2 517 53 53 ARG CA C 59.2240 0.2 1 518 53 53 ARG CB C 29.9410 0.2 1 519 53 53 ARG CG C 27.4490 0.2 1 520 53 53 ARG CD C 43.1970 0.2 1 521 53 53 ARG N N 120.8470 0.2 1 522 54 54 GLU H H 7.8410 0.02 1 523 54 54 GLU HA H 4.1010 0.02 1 524 54 54 GLU HB2 H 2.0110 0.02 2 525 54 54 GLU HB3 H 2.0110 0.02 2 526 54 54 GLU HG2 H 2.3510 0.02 2 527 54 54 GLU HG3 H 2.3510 0.02 2 528 54 54 GLU CA C 58.7230 0.2 1 529 54 54 GLU CB C 29.7640 0.2 1 530 54 54 GLU CG C 35.6620 0.2 1 531 54 54 GLU N N 117.6980 0.2 1 532 55 55 ILE H H 7.9850 0.02 1 533 55 55 ILE HA H 4.5620 0.02 1 534 55 55 ILE HB H 2.0110 0.02 1 535 55 55 ILE HG12 H 1.1540 0.02 2 536 55 55 ILE HG13 H 1.3880 0.02 2 537 55 55 ILE HG2 H 0.7430 0.02 1 538 55 55 ILE HD1 H 0.5810 0.02 1 539 55 55 ILE CA C 60.8790 0.2 1 540 55 55 ILE CB C 38.3230 0.2 1 541 55 55 ILE CG1 C 25.3860 0.2 1 542 55 55 ILE CG2 C 16.6180 0.2 1 543 55 55 ILE CD1 C 14.6130 0.2 1 544 55 55 ILE N N 110.1330 0.2 1 545 56 56 GLY H H 7.8120 0.02 1 546 56 56 GLY HA2 H 3.8710 0.02 2 547 56 56 GLY HA3 H 3.9820 0.02 2 548 56 56 GLY CA C 46.6190 0.2 1 549 56 56 GLY N N 111.8140 0.2 1 550 57 57 LEU H H 8.2950 0.02 1 551 57 57 LEU HA H 4.9120 0.02 1 552 57 57 LEU HB2 H 1.2810 0.02 2 553 57 57 LEU HB3 H 1.4550 0.02 2 554 57 57 LEU HG H 1.4590 0.02 1 555 57 57 LEU HD1 H 0.9070 0.02 2 556 57 57 LEU HD2 H 0.6680 0.02 2 557 57 57 LEU CA C 52.7660 0.2 1 558 57 57 LEU CB C 47.8410 0.2 1 559 57 57 LEU CG C 26.2220 0.2 1 560 57 57 LEU CD1 C 23.2140 0.2 2 561 57 57 LEU CD2 C 25.8800 0.2 2 562 57 57 LEU N N 119.7660 0.2 1 563 58 58 THR H H 7.8700 0.02 1 564 58 58 THR HA H 4.2430 0.02 1 565 58 58 THR HB H 4.7050 0.02 1 566 58 58 THR HG2 H 1.3550 0.02 1 567 58 58 THR CA C 60.9380 0.2 1 568 58 58 THR CB C 70.5810 0.2 1 569 58 58 THR CG2 C 22.1520 0.2 1 570 58 58 THR N N 110.0320 0.2 1 571 59 59 ARG H H 8.9290 0.02 1 572 59 59 ARG HA H 3.7050 0.02 1 573 59 59 ARG HB2 H 1.7770 0.02 2 574 59 59 ARG HB3 H 1.8620 0.02 2 575 59 59 ARG HG2 H 1.5860 0.02 2 576 59 59 ARG HG3 H 1.5860 0.02 2 577 59 59 ARG HD2 H 3.1990 0.02 2 578 59 59 ARG HD3 H 3.1990 0.02 2 579 59 59 ARG CA C 59.6660 0.2 1 580 59 59 ARG CB C 29.6610 0.2 1 581 59 59 ARG CG C 27.2130 0.2 1 582 59 59 ARG CD C 43.5500 0.2 1 583 59 59 ARG N N 121.2020 0.2 1 584 60 60 GLU H H 8.4470 0.02 1 585 60 60 GLU HA H 4.1340 0.02 1 586 60 60 GLU HB2 H 1.8580 0.02 2 587 60 60 GLU HB3 H 2.0380 0.02 2 588 60 60 GLU HG2 H 2.2320 0.02 2 589 60 60 GLU HG3 H 2.4240 0.02 2 590 60 60 GLU CA C 58.9590 0.2 1 591 60 60 GLU CB C 28.7610 0.2 1 592 60 60 GLU CG C 36.0750 0.2 1 593 60 60 GLU N N 117.0420 0.2 1 594 61 61 ARG H H 7.7090 0.02 1 595 61 61 ARG HA H 4.1360 0.02 1 596 61 61 ARG HB2 H 1.9180 0.02 2 597 61 61 ARG HD2 H 3.1880 0.02 2 598 61 61 ARG HD3 H 3.1880 0.02 2 599 61 61 ARG CA C 57.9950 0.2 1 600 61 61 ARG CB C 29.0170 0.2 1 601 61 61 ARG CG C 27.0900 0.2 1 602 61 61 ARG CD C 42.5040 0.2 1 603 61 61 ARG N N 120.9410 0.2 1 604 62 62 VAL H H 8.3160 0.02 1 605 62 62 VAL HA H 3.3710 0.02 1 606 62 62 VAL HB H 2.1020 0.02 1 607 62 62 VAL HG1 H 0.8900 0.02 2 608 62 62 VAL HG2 H 0.8900 0.02 2 609 62 62 VAL CA C 67.0520 0.2 1 610 62 62 VAL CB C 30.6160 0.2 1 611 62 62 VAL CG1 C 23.2630 0.2 2 612 62 62 VAL CG2 C 23.2630 0.2 2 613 62 62 VAL N N 118.5250 0.2 1 614 63 63 ARG H H 8.1570 0.02 1 615 63 63 ARG HA H 3.6530 0.02 1 616 63 63 ARG HB2 H 1.8050 0.02 2 617 63 63 ARG HB3 H 2.0590 0.02 2 618 63 63 ARG HG2 H 1.5970 0.02 2 619 63 63 ARG HG3 H 1.5970 0.02 2 620 63 63 ARG HD2 H 3.2540 0.02 2 621 63 63 ARG HD3 H 3.0460 0.02 2 622 63 63 ARG CA C 59.7250 0.2 1 623 63 63 ARG CB C 29.7250 0.2 1 624 63 63 ARG CG C 26.9720 0.2 1 625 63 63 ARG CD C 42.9750 0.2 1 626 63 63 ARG N N 119.9230 0.2 1 627 64 64 GLN H H 7.9040 0.02 1 628 64 64 GLN HA H 3.9430 0.02 1 629 64 64 GLN HB2 H 2.1310 0.02 2 630 64 64 GLN HB3 H 2.2750 0.02 2 631 64 64 GLN HG2 H 2.3660 0.02 2 632 64 64 GLN HG3 H 2.6110 0.02 2 633 64 64 GLN HE21 H 6.7650 0.02 2 634 64 64 GLN HE22 H 7.8110 0.02 2 635 64 64 GLN CA C 59.0570 0.2 1 636 64 64 GLN CB C 28.1780 0.2 1 637 64 64 GLN CG C 33.3680 0.2 1 638 64 64 GLN N N 117.6780 0.2 1 639 64 64 GLN NE2 N 111.8750 0.2 1 640 65 65 ILE H H 8.1390 0.02 1 641 65 65 ILE HA H 3.7730 0.02 1 642 65 65 ILE HB H 1.7830 0.02 1 643 65 65 ILE HG12 H 0.9830 0.02 2 644 65 65 ILE HG13 H 1.8390 0.02 2 645 65 65 ILE HG2 H 0.8160 0.02 1 646 65 65 ILE HD1 H 0.7060 0.02 1 647 65 65 ILE CA C 65.1510 0.2 1 648 65 65 ILE CB C 37.9420 0.2 1 649 65 65 ILE CG1 C 28.9780 0.2 1 650 65 65 ILE CG2 C 18.4660 0.2 1 651 65 65 ILE CD1 C 14.4160 0.2 1 652 65 65 ILE N N 120.6710 0.2 1 653 66 66 GLN H H 8.6420 0.02 1 654 66 66 GLN HA H 3.7770 0.02 1 655 66 66 GLN HB2 H 2.0280 0.02 2 656 66 66 GLN HB3 H 2.3920 0.02 2 657 66 66 GLN HG2 H 1.9710 0.02 2 658 66 66 GLN HG3 H 2.1430 0.02 2 659 66 66 GLN HE21 H 6.7770 0.02 2 660 66 66 GLN HE22 H 6.8920 0.02 2 661 66 66 GLN CA C 59.6470 0.2 1 662 66 66 GLN CB C 29.1350 0.2 1 663 66 66 GLN CG C 34.7580 0.2 1 664 66 66 GLN N N 121.0030 0.2 1 665 67 67 VAL H H 8.4420 0.02 1 666 67 67 VAL HA H 3.5730 0.02 1 667 67 67 VAL HB H 2.2110 0.02 1 668 67 67 VAL HG1 H 0.9560 0.02 2 669 67 67 VAL HG2 H 1.1190 0.02 2 670 67 67 VAL CA C 66.8680 0.2 1 671 67 67 VAL CB C 31.5300 0.2 1 672 67 67 VAL CG1 C 20.7140 0.2 2 673 67 67 VAL CG2 C 22.7590 0.2 2 674 67 67 VAL N N 118.4810 0.2 1 675 68 68 GLU H H 8.2100 0.02 1 676 68 68 GLU HA H 4.0100 0.02 1 677 68 68 GLU HB2 H 1.9930 0.02 2 678 68 68 GLU HB3 H 2.2290 0.02 2 679 68 68 GLU HG2 H 2.4890 0.02 2 680 68 68 GLU HG3 H 2.4890 0.02 2 681 68 68 GLU CA C 59.3320 0.2 1 682 68 68 GLU CB C 29.4490 0.2 1 683 68 68 GLU CG C 36.4090 0.2 1 684 68 68 GLU N N 120.0050 0.2 1 685 69 69 GLY H H 9.0800 0.02 1 686 69 69 GLY HA2 H 3.4930 0.02 2 687 69 69 GLY HA3 H 3.7900 0.02 2 688 69 69 GLY CA C 47.1430 0.2 1 689 69 69 GLY N N 108.2310 0.2 1 690 70 70 LEU H H 8.5960 0.02 1 691 70 70 LEU HA H 3.9250 0.02 1 692 70 70 LEU HB2 H 1.2430 0.02 2 693 70 70 LEU HB3 H 2.0410 0.02 2 694 70 70 LEU HG H 0.9010 0.02 1 695 70 70 LEU HD1 H 0.6090 0.02 2 696 70 70 LEU HD2 H 0.6090 0.02 2 697 70 70 LEU CA C 58.1920 0.2 1 698 70 70 LEU CB C 41.4810 0.2 1 699 70 70 LEU CG C 26.9590 0.2 1 700 70 70 LEU CD1 C 24.0890 0.2 2 701 70 70 LEU CD2 C 24.0890 0.2 2 702 70 70 LEU N N 121.4390 0.2 1 703 71 71 ARG H H 8.2380 0.02 1 704 71 71 ARG HA H 3.9030 0.02 1 705 71 71 ARG HB2 H 1.9180 0.02 2 706 71 71 ARG HB3 H 1.9180 0.02 2 707 71 71 ARG HG2 H 1.5690 0.02 2 708 71 71 ARG HG3 H 1.7790 0.02 2 709 71 71 ARG HD2 H 3.1570 0.02 2 710 71 71 ARG HD3 H 3.1570 0.02 2 711 71 71 ARG CA C 59.5290 0.2 1 712 71 71 ARG CB C 29.8430 0.2 1 713 71 71 ARG CG C 27.3660 0.2 1 714 71 71 ARG CD C 43.5260 0.2 1 715 71 71 ARG N N 119.5070 0.2 1 716 72 72 ARG H H 8.1270 0.02 1 717 72 72 ARG HA H 4.1360 0.02 1 718 72 72 ARG HB2 H 1.9330 0.02 2 719 72 72 ARG HD2 H 3.1870 0.02 2 720 72 72 ARG HD3 H 3.1870 0.02 2 721 72 72 ARG CA C 57.7760 0.2 1 722 72 72 ARG CB C 29.0560 0.2 1 723 72 72 ARG CG C 27.0120 0.2 1 724 72 72 ARG CD C 42.5040 0.2 1 725 72 72 ARG N N 119.8800 0.2 1 726 73 73 LEU H H 8.3100 0.02 1 727 73 73 LEU HA H 3.8820 0.02 1 728 73 73 LEU HB2 H 1.1250 0.02 2 729 73 73 LEU HB3 H 1.9320 0.02 2 730 73 73 LEU HG H 0.7410 0.02 1 731 73 73 LEU HD1 H 0.7130 0.02 2 732 73 73 LEU HD2 H 0.7130 0.02 2 733 73 73 LEU CA C 57.7590 0.2 1 734 73 73 LEU CB C 41.2060 0.2 1 735 73 73 LEU CG C 26.5010 0.2 1 736 73 73 LEU CD1 C 23.9710 0.2 2 737 73 73 LEU CD2 C 23.9710 0.2 2 738 73 73 LEU N N 118.3920 0.2 1 739 74 74 ARG H H 8.0500 0.02 1 740 74 74 ARG HA H 3.3580 0.02 1 741 74 74 ARG HB2 H 1.7410 0.02 2 742 74 74 ARG HB3 H 1.9420 0.02 2 743 74 74 ARG HG2 H 1.3060 0.02 2 744 74 74 ARG HG3 H 1.4810 0.02 2 745 74 74 ARG HD2 H 3.1260 0.02 2 746 74 74 ARG HD3 H 3.1260 0.02 2 747 74 74 ARG CA C 60.3150 0.2 1 748 74 74 ARG CB C 29.6070 0.2 1 749 74 74 ARG CG C 27.6800 0.2 1 750 74 74 ARG CD C 43.4860 0.2 1 751 74 74 ARG N N 119.3330 0.2 1 752 75 75 GLU H H 7.6130 0.02 1 753 75 75 GLU HA H 3.9780 0.02 1 754 75 75 GLU HB2 H 2.0670 0.02 2 755 75 75 GLU HB3 H 2.2970 0.02 2 756 75 75 GLU CA C 59.1750 0.2 1 757 75 75 GLU CB C 29.9210 0.2 1 758 75 75 GLU CG C 36.1730 0.2 1 759 75 75 GLU N N 117.9490 0.2 1 760 76 76 ILE H H 8.3540 0.02 1 761 76 76 ILE HA H 3.5880 0.02 1 762 76 76 ILE HB H 1.6850 0.02 1 763 76 76 ILE HG12 H 1.0380 0.02 2 764 76 76 ILE HG13 H 1.7170 0.02 2 765 76 76 ILE HG2 H 0.5270 0.02 1 766 76 76 ILE HD1 H 0.7780 0.02 1 767 76 76 ILE CA C 64.7980 0.2 1 768 76 76 ILE CB C 37.9290 0.2 1 769 76 76 ILE CG1 C 28.9120 0.2 1 770 76 76 ILE CG2 C 16.3040 0.2 1 771 76 76 ILE CD1 C 14.5510 0.2 1 772 76 76 ILE N N 122.4930 0.2 1 773 77 77 LEU H H 8.3280 0.02 1 774 77 77 LEU HA H 3.4950 0.02 1 775 77 77 LEU HB2 H 1.3140 0.02 2 776 77 77 LEU HB3 H 1.5310 0.02 2 777 77 77 LEU HG H 1.1590 0.02 1 778 77 77 LEU HD1 H 0.0370 0.02 2 779 77 77 LEU HD2 H 0.2230 0.02 2 780 77 77 LEU CA C 58.5460 0.2 1 781 77 77 LEU CB C 40.4590 0.2 1 782 77 77 LEU CG C 28.2600 0.2 1 783 77 77 LEU CD1 C 23.3420 0.2 2 784 77 77 LEU CD2 C 24.4430 0.2 2 785 77 77 LEU N N 120.5650 0.2 1 786 78 78 GLN H H 8.3290 0.02 1 787 78 78 GLN HA H 4.1840 0.02 1 788 78 78 GLN HB2 H 2.1030 0.02 2 789 78 78 GLN HB3 H 2.2260 0.02 2 790 78 78 GLN HG2 H 2.4690 0.02 2 791 78 78 GLN HG3 H 2.6010 0.02 2 792 78 78 GLN HE21 H 6.9110 0.02 2 793 78 78 GLN HE22 H 7.4860 0.02 2 794 78 78 GLN CA C 58.9390 0.2 1 795 78 78 GLN CB C 28.1910 0.2 1 796 78 78 GLN CG C 34.6400 0.2 1 797 78 78 GLN N N 118.6900 0.2 1 798 78 78 GLN NE2 N 111.3250 0.2 1 799 79 79 GLY H H 8.1500 0.02 1 800 79 79 GLY HA2 H 3.9190 0.02 2 801 79 79 GLY HA3 H 4.0090 0.02 2 802 79 79 GLY CA C 46.3700 0.2 1 803 79 79 GLY N N 108.4360 0.2 1 804 80 80 GLN H H 7.4450 0.02 1 805 80 80 GLN HA H 4.4100 0.02 1 806 80 80 GLN HB2 H 1.9920 0.02 2 807 80 80 GLN HB3 H 2.3740 0.02 2 808 80 80 GLN HG2 H 2.4630 0.02 2 809 80 80 GLN HG3 H 2.4630 0.02 2 810 80 80 GLN HE21 H 7.4160 0.02 2 811 80 80 GLN HE22 H 6.9180 0.02 2 812 80 80 GLN CA C 55.1640 0.2 1 813 80 80 GLN CB C 29.2140 0.2 1 814 80 80 GLN CG C 33.8930 0.2 1 815 80 80 GLN N N 117.2350 0.2 1 816 80 80 GLN NE2 N 112.5800 0.2 1 817 81 81 GLY H H 7.9590 0.02 1 818 81 81 GLY HA2 H 3.8210 0.02 2 819 81 81 GLY HA3 H 4.0600 0.02 2 820 81 81 GLY CA C 46.0030 0.2 1 821 81 81 GLY N N 107.9220 0.2 1 822 82 82 LEU H H 7.6680 0.02 1 823 82 82 LEU HA H 4.3230 0.02 1 824 82 82 LEU HB2 H 1.2780 0.02 2 825 82 82 LEU HB3 H 1.5480 0.02 2 826 82 82 LEU HG H 1.5350 0.02 1 827 82 82 LEU HD1 H 0.9440 0.02 2 828 82 82 LEU HD2 H 0.8770 0.02 2 829 82 82 LEU CA C 54.6930 0.2 1 830 82 82 LEU CB C 42.7000 0.2 1 831 82 82 LEU CG C 27.2740 0.2 1 832 82 82 LEU CD1 C 25.5440 0.2 2 833 82 82 LEU CD2 C 23.6170 0.2 2 834 82 82 LEU N N 120.3250 0.2 1 835 83 83 ASN H H 8.2080 0.02 1 836 83 83 ASN HA H 4.6570 0.02 1 837 83 83 ASN HB2 H 2.7650 0.02 2 838 83 83 ASN HB3 H 2.9380 0.02 2 839 83 83 ASN HD21 H 6.9230 0.02 2 840 83 83 ASN HD22 H 7.5990 0.02 2 841 83 83 ASN CA C 51.6650 0.2 1 842 83 83 ASN CB C 38.4540 0.2 1 843 83 83 ASN N N 119.6730 0.2 1 844 83 83 ASN ND2 N 112.4130 0.2 1 845 84 84 ILE H H 8.0590 0.02 1 846 84 84 ILE HA H 3.6230 0.02 1 847 84 84 ILE HB H 1.6620 0.02 1 848 84 84 ILE HG12 H 1.1100 0.02 2 849 84 84 ILE HG13 H 1.3510 0.02 2 850 84 84 ILE HG2 H 0.8010 0.02 1 851 84 84 ILE HD1 H 0.8060 0.02 1 852 84 84 ILE CA C 63.0680 0.2 1 853 84 84 ILE CB C 37.4710 0.2 1 854 84 84 ILE CG1 C 28.1910 0.2 1 855 84 84 ILE CG2 C 17.7590 0.2 1 856 84 84 ILE CD1 C 13.5910 0.2 1 857 84 84 ILE N N 121.7900 0.2 1 858 85 85 GLU H H 8.2640 0.02 1 859 85 85 GLU HA H 3.7220 0.02 1 860 85 85 GLU HB2 H 1.9170 0.02 2 861 85 85 GLU HB3 H 1.8820 0.02 2 862 85 85 GLU HG2 H 2.1100 0.02 2 863 85 85 GLU HG3 H 2.1770 0.02 2 864 85 85 GLU CA C 59.2930 0.2 1 865 85 85 GLU CB C 28.7810 0.2 1 866 85 85 GLU CG C 36.5660 0.2 1 867 85 85 GLU N N 120.1970 0.2 1 868 86 86 ALA H H 7.5910 0.02 1 869 86 86 ALA HA H 4.1170 0.02 1 870 86 86 ALA HB H 1.4050 0.02 1 871 86 86 ALA CA C 53.4740 0.2 1 872 86 86 ALA CB C 18.6240 0.2 1 873 86 86 ALA N N 119.5700 0.2 1 874 87 87 LEU H H 7.5350 0.02 1 875 87 87 LEU HA H 4.0930 0.02 1 876 87 87 LEU HB2 H 1.2760 0.02 2 877 87 87 LEU HB3 H 1.5860 0.02 2 878 87 87 LEU HG H 1.6120 0.02 1 879 87 87 LEU HD1 H 0.8310 0.02 2 880 87 87 LEU HD2 H 0.8310 0.02 2 881 87 87 LEU CA C 56.3440 0.2 1 882 87 87 LEU CB C 42.5040 0.2 1 883 87 87 LEU CG C 26.7820 0.2 1 884 87 87 LEU CD1 C 23.5910 0.2 2 885 87 87 LEU CD2 C 25.7050 0.2 2 886 87 87 LEU N N 117.3610 0.2 1 887 88 88 PHE H H 7.7070 0.02 1 888 88 88 PHE HA H 4.5780 0.02 1 889 88 88 PHE HB2 H 2.8440 0.02 2 890 88 88 PHE HB3 H 3.1090 0.02 2 891 88 88 PHE HD1 H 7.1410 0.02 3 892 88 88 PHE CA C 57.7990 0.2 1 893 88 88 PHE CB C 39.2790 0.2 1 894 88 88 PHE CD1 C 131.9410 0.2 3 895 88 88 PHE N N 117.2520 0.2 1 896 89 89 ARG H H 8.0800 0.02 1 897 89 89 ARG HA H 4.1240 0.02 1 898 89 89 ARG HB2 H 1.8140 0.02 2 899 89 89 ARG HB3 H 1.8140 0.02 2 900 89 89 ARG HG2 H 1.6050 0.02 2 901 89 89 ARG HG3 H 1.6500 0.02 2 902 89 89 ARG HD2 H 3.1790 0.02 2 903 89 89 ARG HD3 H 3.1790 0.02 2 904 89 89 ARG CA C 57.0520 0.2 1 905 89 89 ARG CB C 30.5500 0.2 1 906 89 89 ARG CG C 27.0900 0.2 1 907 89 89 ARG CD C 43.3290 0.2 1 908 89 89 ARG N N 121.3480 0.2 1 909 90 90 GLU H H 8.4450 0.02 1 910 90 90 GLU HA H 4.3220 0.02 1 911 90 90 GLU HB2 H 1.9150 0.02 2 912 90 90 GLU HB3 H 2.0690 0.02 2 913 90 90 GLU HG2 H 2.2640 0.02 2 914 90 90 GLU HG3 H 2.2640 0.02 2 915 90 90 GLU CA C 57.2480 0.2 1 916 90 90 GLU CB C 29.8430 0.2 1 917 90 90 GLU CG C 36.0550 0.2 1 918 90 90 GLU N N 120.9130 0.2 1 919 91 91 GLY H H 8.3290 0.02 1 920 91 91 GLY HA2 H 3.9930 0.02 2 921 91 91 GLY HA3 H 3.9930 0.02 2 922 91 91 GLY CA C 45.4920 0.2 1 923 91 91 GLY N N 109.4680 0.2 1 924 92 92 SER H H 8.2800 0.02 1 925 92 92 SER HA H 4.3580 0.02 1 926 92 92 SER HB2 H 3.8160 0.02 2 927 92 92 SER HB3 H 3.8160 0.02 2 928 92 92 SER CA C 58.9680 0.2 1 929 92 92 SER CB C 63.6180 0.2 1 930 92 92 SER N N 115.9940 0.2 1 931 93 93 GLY H H 8.4590 0.02 1 932 93 93 GLY HA2 H 3.9280 0.02 2 933 93 93 GLY HA3 H 3.9280 0.02 2 934 93 93 GLY CA C 45.8060 0.2 1 935 93 93 GLY N N 110.6730 0.2 1 936 94 94 SER H H 8.2000 0.02 1 937 94 94 SER HA H 4.4450 0.02 1 938 94 94 SER HB2 H 3.8970 0.02 2 939 94 94 SER HB3 H 3.8510 0.02 2 940 94 94 SER CA C 58.3230 0.2 1 941 94 94 SER CB C 63.5520 0.2 1 942 94 94 SER N N 115.5540 0.2 1 943 95 95 LYS H H 8.1660 0.02 1 944 95 95 LYS HA H 4.3080 0.02 1 945 95 95 LYS HB2 H 1.8340 0.02 2 946 95 95 LYS HB3 H 1.7620 0.02 2 947 95 95 LYS HG2 H 1.3930 0.02 2 948 95 95 LYS HG3 H 1.4920 0.02 2 949 95 95 LYS HD2 H 1.6590 0.02 2 950 95 95 LYS HD3 H 1.6590 0.02 2 951 95 95 LYS HE2 H 2.9710 0.02 2 952 95 95 LYS HE3 H 2.9710 0.02 2 953 95 95 LYS CA C 56.5010 0.2 1 954 95 95 LYS CB C 33.2630 0.2 1 955 95 95 LYS CG C 25.0460 0.2 1 956 95 95 LYS CD C 29.2920 0.2 1 957 95 95 LYS CE C 42.2680 0.2 1 958 95 95 LYS N N 122.6000 0.2 1 959 96 96 GLY H H 8.3790 0.02 1 960 96 96 GLY HA2 H 3.9630 0.02 2 961 96 96 GLY HA3 H 4.0300 0.02 2 962 96 96 GLY CA C 44.8230 0.2 1 963 96 96 GLY N N 109.3520 0.2 1 964 97 97 GLU H H 8.5110 0.02 1 965 97 97 GLU HA H 4.2300 0.02 1 966 97 97 GLU HB2 H 2.0250 0.02 2 967 97 97 GLU HB3 H 2.0250 0.02 2 968 97 97 GLU HG2 H 2.2920 0.02 2 969 97 97 GLU HG3 H 2.2920 0.02 2 970 97 97 GLU CA C 57.8770 0.2 1 971 97 97 GLU CB C 30.1180 0.2 1 972 97 97 GLU CG C 36.0550 0.2 1 973 97 97 GLU N N 120.5460 0.2 1 974 98 98 THR H H 8.0460 0.02 1 975 98 98 THR HA H 4.2770 0.02 1 976 98 98 THR HB H 4.2890 0.02 1 977 98 98 THR HG2 H 1.2510 0.02 1 978 98 98 THR CA C 62.8050 0.2 1 979 98 98 THR CB C 69.2540 0.2 1 980 98 98 THR CG2 C 21.8080 0.2 1 981 98 98 THR N N 111.0060 0.2 1 982 99 99 GLN H H 8.1540 0.02 1 983 99 99 GLN HA H 4.4020 0.02 1 984 99 99 GLN HB2 H 2.0110 0.02 2 985 99 99 GLN HB3 H 2.1940 0.02 2 986 99 99 GLN HG2 H 2.3370 0.02 2 987 99 99 GLN HG3 H 2.3370 0.02 2 988 99 99 GLN HE21 H 6.9000 0.02 2 989 99 99 GLN HE22 H 7.5980 0.02 2 990 99 99 GLN CA C 55.3610 0.2 1 991 99 99 GLN CB C 29.6850 0.2 1 992 99 99 GLN CG C 34.1680 0.2 1 993 99 99 GLN N N 120.7900 0.2 1 994 99 99 GLN NE2 N 112.7540 0.2 1 995 100 100 LEU H H 7.7550 0.02 1 996 100 100 LEU HA H 4.5720 0.02 1 997 100 100 LEU HB2 H 1.5310 0.02 2 998 100 100 LEU HB3 H 1.6690 0.02 2 999 100 100 LEU HG H 1.7820 0.02 1 1000 100 100 LEU HD1 H 0.7970 0.02 2 1001 100 100 LEU HD2 H 0.8480 0.02 2 1002 100 100 LEU CA C 54.6530 0.2 1 1003 100 100 LEU CB C 43.4470 0.2 1 1004 100 100 LEU CG C 26.6730 0.2 1 1005 100 100 LEU CD1 C 23.3420 0.2 2 1006 100 100 LEU CD2 C 25.8580 0.2 2 1007 100 100 LEU N N 122.3140 0.2 1 1008 101 101 THR H H 8.9540 0.02 1 1009 101 101 THR HA H 4.6810 0.02 1 1010 101 101 THR HB H 4.8640 0.02 1 1011 101 101 THR HG2 H 1.4430 0.02 1 1012 101 101 THR CA C 60.3220 0.2 1 1013 101 101 THR CB C 68.4460 0.2 1 1014 101 101 THR CG2 C 22.2650 0.2 1 1015 101 101 THR N N 115.3610 0.2 1 1016 102 102 PRO HA H 4.3110 0.02 1 1017 102 102 PRO HB2 H 1.7680 0.02 2 1018 102 102 PRO HB3 H 2.7480 0.02 2 1019 102 102 PRO HG2 H 2.1880 0.02 2 1020 102 102 PRO HG3 H 2.3490 0.02 2 1021 102 102 PRO HD2 H 4.0110 0.02 2 1022 102 102 PRO HD3 H 3.9650 0.02 2 1023 102 102 PRO CA C 66.3440 0.2 1 1024 102 102 PRO CB C 32.4900 0.2 1 1025 102 102 PRO CG C 28.5390 0.2 1 1026 102 102 PRO CD C 50.2430 0.2 1 1027 103 103 GLU H H 8.9990 0.02 1 1028 103 103 GLU HA H 3.6510 0.02 1 1029 103 103 GLU HB2 H 1.7230 0.02 2 1030 103 103 GLU HB3 H 2.1840 0.02 2 1031 103 103 GLU HG2 H 2.0980 0.02 2 1032 103 103 GLU HG3 H 2.4320 0.02 2 1033 103 103 GLU CA C 61.9740 0.2 1 1034 103 103 GLU CB C 28.5400 0.2 1 1035 103 103 GLU CG C 38.7140 0.2 1 1036 103 103 GLU N N 114.9820 0.2 1 1037 104 104 GLU H H 7.7760 0.02 1 1038 104 104 GLU HA H 3.8510 0.02 1 1039 104 104 GLU HB2 H 2.0020 0.02 2 1040 104 104 GLU HB3 H 2.3880 0.02 2 1041 104 104 GLU HG2 H 2.4010 0.02 2 1042 104 104 GLU HG3 H 2.4010 0.02 2 1043 104 104 GLU CA C 59.5350 0.2 1 1044 104 104 GLU CB C 30.4630 0.2 1 1045 104 104 GLU CG C 37.8490 0.2 1 1046 104 104 GLU N N 118.4200 0.2 1 1047 105 105 LYS H H 8.6160 0.02 1 1048 105 105 LYS HA H 3.8350 0.02 1 1049 105 105 LYS HB2 H 1.9760 0.02 2 1050 105 105 LYS HB3 H 2.2160 0.02 2 1051 105 105 LYS HG2 H 1.3960 0.02 2 1052 105 105 LYS HG3 H 1.3960 0.02 2 1053 105 105 LYS CA C 60.4200 0.2 1 1054 105 105 LYS CB C 32.3720 0.2 1 1055 105 105 LYS CG C 27.0250 0.2 1 1056 105 105 LYS CD C 30.2230 0.2 1 1057 105 105 LYS N N 119.7350 0.2 1 1058 106 106 LEU H H 8.0840 0.02 1 1059 106 106 LEU HA H 3.1160 0.02 1 1060 106 106 LEU HB2 H 0.9720 0.02 2 1061 106 106 LEU HB3 H 1.8910 0.02 2 1062 106 106 LEU HG H 1.2180 0.02 1 1063 106 106 LEU HD1 H 0.7210 0.02 2 1064 106 106 LEU HD2 H 0.3310 0.02 2 1065 106 106 LEU CA C 57.7460 0.2 1 1066 106 106 LEU CB C 40.3930 0.2 1 1067 106 106 LEU CG C 26.5530 0.2 1 1068 106 106 LEU CD1 C 26.6210 0.2 2 1069 106 106 LEU CD2 C 23.4630 0.2 2 1070 106 106 LEU N N 121.4350 0.2 1 1071 107 107 LEU H H 8.1850 0.02 1 1072 107 107 LEU HA H 3.8260 0.02 1 1073 107 107 LEU HB2 H 1.4020 0.02 2 1074 107 107 LEU HB3 H 1.9240 0.02 1 1075 107 107 LEU HG H 1.4060 0.02 1 1076 107 107 LEU HD1 H 0.9120 0.02 2 1077 107 107 LEU HD2 H 0.8660 0.02 2 1078 107 107 LEU CA C 58.4280 0.2 1 1079 107 107 LEU CB C 41.9140 0.2 1 1080 107 107 LEU CG C 27.1820 0.2 1 1081 107 107 LEU CD1 C 25.2950 0.2 2 1082 107 107 LEU CD2 C 23.7480 0.2 2 1083 107 107 LEU N N 118.7540 0.2 1 1084 108 108 ARG H H 8.2030 0.02 1 1085 108 108 ARG HA H 3.8410 0.02 1 1086 108 108 ARG HB2 H 1.7980 0.02 2 1087 108 108 ARG HD2 H 3.0340 0.02 2 1088 108 108 ARG HD3 H 3.0340 0.02 2 1089 108 108 ARG CA C 59.1750 0.2 1 1090 108 108 ARG CB C 29.7640 0.2 1 1091 108 108 ARG CG C 27.6410 0.2 1 1092 108 108 ARG CD C 43.4470 0.2 1 1093 108 108 ARG N N 116.7340 0.2 1 1094 109 109 ALA H H 7.6700 0.02 1 1095 109 109 ALA HA H 4.1790 0.02 1 1096 109 109 ALA HB H 1.4890 0.02 1 1097 109 109 ALA CA C 54.4430 0.2 1 1098 109 109 ALA CB C 19.0950 0.2 1 1099 109 109 ALA N N 122.5580 0.2 1 1100 110 110 ILE H H 8.3130 0.02 1 1101 110 110 ILE HA H 3.3370 0.02 1 1102 110 110 ILE HB H 1.7060 0.02 1 1103 110 110 ILE HG12 H 0.6630 0.02 2 1104 110 110 ILE HG13 H 1.8280 0.02 2 1105 110 110 ILE HG2 H 0.1790 0.02 1 1106 110 110 ILE HD1 H 0.6330 0.02 1 1107 110 110 ILE CA C 65.5580 0.2 1 1108 110 110 ILE CB C 38.3880 0.2 1 1109 110 110 ILE CG1 C 28.8070 0.2 1 1110 110 110 ILE CG2 C 16.6580 0.2 1 1111 110 110 ILE CD1 C 15.6300 0.2 1 1112 110 110 ILE N N 119.2350 0.2 1 1113 111 111 PHE H H 7.6220 0.02 1 1114 111 111 PHE HA H 4.3600 0.02 1 1115 111 111 PHE HB2 H 2.7770 0.02 2 1116 111 111 PHE HB3 H 3.2990 0.02 2 1117 111 111 PHE HD1 H 7.2740 0.02 3 1118 111 111 PHE HE1 H 7.1210 0.02 3 1119 111 111 PHE CA C 59.6210 0.2 1 1120 111 111 PHE CB C 39.2140 0.2 1 1121 111 111 PHE CD1 C 131.8030 0.2 3 1122 111 111 PHE CE1 C 131.0550 0.2 3 1123 111 111 PHE N N 114.9020 0.2 1 1124 112 112 GLY H H 7.7970 0.02 1 1125 112 112 GLY HA2 H 3.9370 0.02 2 1126 112 112 GLY HA3 H 3.9760 0.02 2 1127 112 112 GLY CA C 45.5700 0.2 1 1128 112 112 GLY N N 106.9750 0.2 1 1129 113 113 GLU H H 7.9000 0.02 1 1130 113 113 GLU HA H 4.2870 0.02 1 1131 113 113 GLU HB2 H 1.8990 0.02 2 1132 113 113 GLU HB3 H 2.0220 0.02 2 1133 113 113 GLU HG2 H 2.2420 0.02 2 1134 113 113 GLU HG3 H 2.2420 0.02 2 1135 113 113 GLU CA C 56.0290 0.2 1 1136 113 113 GLU CB C 30.1570 0.2 1 1137 113 113 GLU CG C 36.3300 0.2 1 1138 113 113 GLU N N 120.8700 0.2 1 1139 114 114 LYS H H 8.2950 0.02 1 1140 114 114 LYS HA H 4.2510 0.02 1 1141 114 114 LYS HB2 H 1.7140 0.02 2 1142 114 114 LYS HB3 H 1.8170 0.02 2 1143 114 114 LYS HG2 H 1.4120 0.02 2 1144 114 114 LYS HG3 H 1.4120 0.02 2 1145 114 114 LYS HD2 H 1.6360 0.02 2 1146 114 114 LYS HD3 H 1.6360 0.02 2 1147 114 114 LYS HE2 H 2.9580 0.02 2 1148 114 114 LYS HE3 H 2.9580 0.02 2 1149 114 114 LYS CA C 56.0690 0.2 1 1150 114 114 LYS CB C 33.0280 0.2 1 1151 114 114 LYS CG C 24.4560 0.2 1 1152 114 114 LYS CD C 28.8990 0.2 1 1153 114 114 LYS CE C 42.0320 0.2 1 1154 114 114 LYS N N 123.2850 0.2 1 1155 115 115 ALA H H 8.0020 0.02 1 1156 115 115 ALA HA H 4.0940 0.02 1 1157 115 115 ALA HB H 1.3090 0.02 1 1158 115 115 ALA CA C 53.7230 0.2 1 1159 115 115 ALA CB C 20.0700 0.2 1 1160 115 115 ALA N N 131.2140 0.2 1 stop_ save_