data_25155 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; apo_FldB ; _BMRB_accession_number 25155 _BMRB_flat_file_name bmr25155.str _Entry_type original _Submission_date 2014-08-15 _Accession_date 2014-08-15 _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 Jin Changwen . . 2 Fu Wenyu . . 3 Ye Qian . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 785 "13C chemical shifts" 623 "15N chemical shifts" 160 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2016-03-07 original BMRB . stop_ loop_ _Related_BMRB_accession_number _Relationship 25153 'holo FldB' stop_ _Original_release_date 2016-03-07 save_ ############################# # Citation for this entry # ############################# save_apo_FldB _Saveframe_category entry_citation _Citation_full . _Citation_title ; Long-chain flavodoxin FldB from Escherichia coli ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 25380767 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Ye Qian . . 2 Fu Wenyu . . 3 Hu Yunfei . . 4 Jin Changwen . . stop_ _Journal_abbreviation 'J. Biomol. NMR.' _Journal_volume 60 _Journal_issue 4 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 283 _Page_last 288 _Year 2014 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'apo FldB' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label entity $entity 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_entity _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity _Molecular_mass 19713.229 _Mol_thiol_state . _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 173 _Mol_residue_sequence ; MNMGLFYGSSTCYTEMAAEK IRDIIGPELVTLHNLKDDSP KLMEQYDVLILGIPTWDFGE IQEDWEAVWDQLDDLNLEGK IVALYGLGDQLGYGEWFLDA LGMLHDKLSTKGVKFVGYWP TEGYEFTSPKPVIADGQLFV GLALDETNQYDLSDERIQSW CEQILNEMAEHYA ; loop_ _Residue_seq_code _Residue_label 1 MET 2 ASN 3 MET 4 GLY 5 LEU 6 PHE 7 TYR 8 GLY 9 SER 10 SER 11 THR 12 CYS 13 TYR 14 THR 15 GLU 16 MET 17 ALA 18 ALA 19 GLU 20 LYS 21 ILE 22 ARG 23 ASP 24 ILE 25 ILE 26 GLY 27 PRO 28 GLU 29 LEU 30 VAL 31 THR 32 LEU 33 HIS 34 ASN 35 LEU 36 LYS 37 ASP 38 ASP 39 SER 40 PRO 41 LYS 42 LEU 43 MET 44 GLU 45 GLN 46 TYR 47 ASP 48 VAL 49 LEU 50 ILE 51 LEU 52 GLY 53 ILE 54 PRO 55 THR 56 TRP 57 ASP 58 PHE 59 GLY 60 GLU 61 ILE 62 GLN 63 GLU 64 ASP 65 TRP 66 GLU 67 ALA 68 VAL 69 TRP 70 ASP 71 GLN 72 LEU 73 ASP 74 ASP 75 LEU 76 ASN 77 LEU 78 GLU 79 GLY 80 LYS 81 ILE 82 VAL 83 ALA 84 LEU 85 TYR 86 GLY 87 LEU 88 GLY 89 ASP 90 GLN 91 LEU 92 GLY 93 TYR 94 GLY 95 GLU 96 TRP 97 PHE 98 LEU 99 ASP 100 ALA 101 LEU 102 GLY 103 MET 104 LEU 105 HIS 106 ASP 107 LYS 108 LEU 109 SER 110 THR 111 LYS 112 GLY 113 VAL 114 LYS 115 PHE 116 VAL 117 GLY 118 TYR 119 TRP 120 PRO 121 THR 122 GLU 123 GLY 124 TYR 125 GLU 126 PHE 127 THR 128 SER 129 PRO 130 LYS 131 PRO 132 VAL 133 ILE 134 ALA 135 ASP 136 GLY 137 GLN 138 LEU 139 PHE 140 VAL 141 GLY 142 LEU 143 ALA 144 LEU 145 ASP 146 GLU 147 THR 148 ASN 149 GLN 150 TYR 151 ASP 152 LEU 153 SER 154 ASP 155 GLU 156 ARG 157 ILE 158 GLN 159 SER 160 TRP 161 CYS 162 GLU 163 GLN 164 ILE 165 LEU 166 ASN 167 GLU 168 MET 169 ALA 170 GLU 171 HIS 172 TYR 173 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 $entity '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 $entity 'recombinant technology' . Escherichia coli . PET-21 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 $entity 1 mM [U-15N] 'sodium phosphate' 30 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 $entity 1 mM '[U-13C; U-15N]' 'sodium phosphate' 30 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Saveframe_category software _Name CYANA _Version . loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_AMBER _Saveframe_category software _Name AMBER _Version . loop_ _Vendor _Address _Electronic_address 'Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollman' . . stop_ loop_ _Task refinement 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 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_CBCA(CO)NH_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_2 save_ save_3D_HNCO_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_2 save_ save_3D_HNCA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_2 save_ save_3D_HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_2 save_ save_3D_HBHA(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_2 save_ save_3D_HCCH-TOCSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_2 save_ save_3D_1H-15N_NOESY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _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 pH 7 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D CBCA(CO)NH' '3D HNCACB' '3D HCCH-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 entity _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 4.210 . . 2 1 1 MET HB2 H 2.030 . . 3 1 1 MET HG2 H 2.410 . . 4 1 1 MET C C 171.950 . . 5 1 1 MET CA C 55.300 . . 6 1 1 MET CB C 33.540 . . 7 1 1 MET CG C 31.280 . . 8 2 2 ASN H H 9.392 . . 9 2 2 ASN HA H 5.175 . . 10 2 2 ASN HB2 H 3.063 . . 11 2 2 ASN HD21 H 7.725 . . 12 2 2 ASN HD22 H 6.794 . . 13 2 2 ASN C C 175.200 . . 14 2 2 ASN CA C 52.920 . . 15 2 2 ASN CB C 40.000 . . 16 2 2 ASN N N 122.966 . . 17 2 2 ASN ND2 N 113.870 . . 18 3 3 MET H H 8.745 . . 19 3 3 MET HA H 5.565 . . 20 3 3 MET HB2 H 2.188 . . 21 3 3 MET HB3 H 1.539 . . 22 3 3 MET HG2 H 2.469 . . 23 3 3 MET HG3 H 2.237 . . 24 3 3 MET C C 174.200 . . 25 3 3 MET CA C 54.550 . . 26 3 3 MET CB C 34.100 . . 27 3 3 MET CG C 32.960 . . 28 3 3 MET N N 120.660 . . 29 4 4 GLY H H 8.989 . . 30 4 4 GLY HA2 H 2.088 . . 31 4 4 GLY HA3 H 4.177 . . 32 4 4 GLY C C 170.444 . . 33 4 4 GLY CA C 42.887 . . 34 4 4 GLY N N 115.792 . . 35 5 5 LEU H H 8.917 . . 36 5 5 LEU HA H 6.322 . . 37 5 5 LEU HB2 H 1.128 . . 38 5 5 LEU HB3 H 1.794 . . 39 5 5 LEU HG H 0.907 . . 40 5 5 LEU HD1 H 1.120 . . 41 5 5 LEU C C 175.700 . . 42 5 5 LEU CA C 53.320 . . 43 5 5 LEU CB C 44.700 . . 44 5 5 LEU CG C 27.880 . . 45 5 5 LEU CD1 C 24.720 . . 46 5 5 LEU N N 131.175 . . 47 6 6 PHE H H 9.225 . . 48 6 6 PHE HA H 5.738 . . 49 6 6 PHE HB2 H 2.360 . . 50 6 6 PHE HB3 H 3.250 . . 51 6 6 PHE C C 174.358 . . 52 6 6 PHE CA C 55.480 . . 53 6 6 PHE CB C 41.050 . . 54 6 6 PHE N N 125.990 . . 55 7 7 TYR H H 8.235 . . 56 7 7 TYR HA H 5.929 . . 57 7 7 TYR HB2 H 2.920 . . 58 7 7 TYR HB3 H 2.880 . . 59 7 7 TYR C C 171.690 . . 60 7 7 TYR CA C 55.460 . . 61 7 7 TYR CB C 40.800 . . 62 7 7 TYR N N 118.040 . . 63 8 8 GLY H H 6.996 . . 64 8 8 GLY HA2 H 4.620 . . 65 8 8 GLY HA3 H 3.490 . . 66 8 8 GLY C C 171.682 . . 67 8 8 GLY CA C 44.050 . . 68 8 8 GLY N N 106.640 . . 69 9 9 SER H H 9.680 . . 70 9 9 SER C C 174.560 . . 71 9 9 SER CA C 57.140 . . 72 9 9 SER N N 118.164 . . 73 17 17 ALA H H 8.055 . . 74 17 17 ALA HA H 3.630 . . 75 17 17 ALA HB H 0.920 . . 76 17 17 ALA C C 177.740 . . 77 17 17 ALA CA C 54.900 . . 78 17 17 ALA CB C 17.790 . . 79 18 18 ALA H H 7.015 . . 80 18 18 ALA HA H 3.713 . . 81 18 18 ALA HB H 0.982 . . 82 18 18 ALA C C 179.040 . . 83 18 18 ALA CA C 54.860 . . 84 18 18 ALA CB C 18.200 . . 85 18 18 ALA N N 120.026 . . 86 19 19 GLU H H 7.545 . . 87 19 19 GLU HA H 3.580 . . 88 19 19 GLU HB2 H 1.945 . . 89 19 19 GLU HB3 H 2.020 . . 90 19 19 GLU HG2 H 2.368 . . 91 19 19 GLU HG3 H 1.930 . . 92 19 19 GLU C C 178.487 . . 93 19 19 GLU CA C 59.670 . . 94 19 19 GLU CB C 29.400 . . 95 19 19 GLU CG C 36.670 . . 96 19 19 GLU N N 116.656 . . 97 20 20 LYS H H 7.780 . . 98 20 20 LYS HA H 4.346 . . 99 20 20 LYS HB2 H 1.740 . . 100 20 20 LYS C C 175.330 . . 101 20 20 LYS CA C 57.100 . . 102 20 20 LYS CB C 33.000 . . 103 20 20 LYS CG C 26.820 . . 104 20 20 LYS CD C 32.800 . . 105 20 20 LYS CE C 40.300 . . 106 20 20 LYS N N 120.100 . . 107 21 21 ILE H H 8.220 . . 108 21 21 ILE HA H 3.465 . . 109 21 21 ILE HB H 1.623 . . 110 21 21 ILE HG12 H 1.560 . . 111 21 21 ILE HG13 H 0.544 . . 112 21 21 ILE HG2 H 0.860 . . 113 21 21 ILE HD1 H 0.125 . . 114 21 21 ILE C C 177.680 . . 115 21 21 ILE CA C 65.640 . . 116 21 21 ILE CB C 38.030 . . 117 21 21 ILE CG1 C 31.300 . . 118 21 21 ILE CG2 C 18.100 . . 119 21 21 ILE CD1 C 13.940 . . 120 22 22 ARG H H 7.920 . . 121 22 22 ARG HA H 3.550 . . 122 22 22 ARG HB2 H 2.130 . . 123 22 22 ARG HB3 H 1.518 . . 124 22 22 ARG HG2 H 1.735 . . 125 22 22 ARG HG3 H 1.370 . . 126 22 22 ARG HD2 H 3.084 . . 127 22 22 ARG HD3 H 3.165 . . 128 22 22 ARG HE H 7.140 . . 129 22 22 ARG C C 177.268 . . 130 22 22 ARG CA C 59.760 . . 131 22 22 ARG CB C 28.900 . . 132 22 22 ARG CG C 26.500 . . 133 22 22 ARG CD C 43.700 . . 134 22 22 ARG N N 119.433 . . 135 22 22 ARG NE N 112.600 . . 136 23 23 ASP H H 8.046 . . 137 23 23 ASP HA H 4.342 . . 138 23 23 ASP HB2 H 2.793 . . 139 23 23 ASP HB3 H 2.637 . . 140 23 23 ASP C C 178.470 . . 141 23 23 ASP CA C 57.450 . . 142 23 23 ASP CB C 40.370 . . 143 23 23 ASP N N 118.945 . . 144 24 24 ILE H H 8.160 . . 145 24 24 ILE HA H 3.734 . . 146 24 24 ILE HB H 1.945 . . 147 24 24 ILE HG12 H 1.780 . . 148 24 24 ILE HG13 H 1.082 . . 149 24 24 ILE HG2 H 0.855 . . 150 24 24 ILE HD1 H 0.795 . . 151 24 24 ILE C C 178.297 . . 152 24 24 ILE CA C 64.500 . . 153 24 24 ILE CB C 38.740 . . 154 24 24 ILE CG1 C 29.500 . . 155 24 24 ILE CG2 C 18.300 . . 156 24 24 ILE CD1 C 14.850 . . 157 24 24 ILE N N 121.200 . . 158 25 25 ILE H H 8.480 . . 159 25 25 ILE HA H 3.643 . . 160 25 25 ILE HB H 1.723 . . 161 25 25 ILE HG12 H 1.895 . . 162 25 25 ILE HG13 H 0.870 . . 163 25 25 ILE HG2 H 0.914 . . 164 25 25 ILE HD1 H 0.660 . . 165 25 25 ILE C C 176.825 . . 166 25 25 ILE CA C 65.890 . . 167 25 25 ILE CB C 37.750 . . 168 25 25 ILE CG1 C 29.200 . . 169 25 25 ILE CG2 C 17.800 . . 170 25 25 ILE CD1 C 13.240 . . 171 25 25 ILE N N 121.166 . . 172 26 26 GLY H H 7.945 . . 173 26 26 GLY HA2 H 4.436 . . 174 26 26 GLY HA3 H 3.975 . . 175 26 26 GLY C C 173.800 . . 176 26 26 GLY CA C 44.400 . . 177 26 26 GLY N N 109.050 . . 178 27 27 PRO HA H 4.363 . . 179 27 27 PRO HB2 H 2.236 . . 180 27 27 PRO HB3 H 2.055 . . 181 27 27 PRO HG2 H 2.105 . . 182 27 27 PRO HG3 H 2.045 . . 183 27 27 PRO HD2 H 3.950 . . 184 27 27 PRO C C 177.157 . . 185 27 27 PRO CA C 64.530 . . 186 27 27 PRO CB C 32.000 . . 187 27 27 PRO CG C 27.650 . . 188 27 27 PRO CD C 51.960 . . 189 28 28 GLU H H 9.202 . . 190 28 28 GLU HA H 4.260 . . 191 28 28 GLU HB2 H 2.010 . . 192 28 28 GLU HB3 H 2.110 . . 193 28 28 GLU HG2 H 2.360 . . 194 28 28 GLU HG3 H 2.290 . . 195 28 28 GLU C C 177.000 . . 196 28 28 GLU CA C 57.680 . . 197 28 28 GLU CB C 28.620 . . 198 28 28 GLU CG C 36.700 . . 199 28 28 GLU N N 116.510 . . 200 29 29 LEU H H 7.924 . . 201 29 29 LEU HA H 4.650 . . 202 29 29 LEU HB2 H 1.865 . . 203 29 29 LEU HB3 H 1.550 . . 204 29 29 LEU HG H 1.598 . . 205 29 29 LEU HD1 H 0.940 . . 206 29 29 LEU HD2 H 0.925 . . 207 29 29 LEU C C 175.676 . . 208 29 29 LEU CA C 55.924 . . 209 29 29 LEU CB C 44.880 . . 210 29 29 LEU CG C 27.600 . . 211 29 29 LEU CD1 C 25.470 . . 212 29 29 LEU CD2 C 23.565 . . 213 29 29 LEU N N 120.334 . . 214 30 30 VAL H H 7.486 . . 215 30 30 VAL HA H 4.639 . . 216 30 30 VAL HB H 1.836 . . 217 30 30 VAL HG1 H 0.626 . . 218 30 30 VAL HG2 H 0.889 . . 219 30 30 VAL C C 174.368 . . 220 30 30 VAL CA C 61.110 . . 221 30 30 VAL CB C 34.500 . . 222 30 30 VAL CG1 C 22.500 . . 223 30 30 VAL CG2 C 22.300 . . 224 30 30 VAL N N 118.900 . . 225 31 31 THR H H 7.947 . . 226 31 31 THR HA H 4.331 . . 227 31 31 THR HB H 3.942 . . 228 31 31 THR HG2 H 0.864 . . 229 31 31 THR C C 172.670 . . 230 31 31 THR CA C 61.784 . . 231 31 31 THR CB C 70.483 . . 232 31 31 THR CG2 C 22.114 . . 233 31 31 THR N N 124.000 . . 234 32 32 LEU H H 8.614 . . 235 32 32 LEU HA H 4.637 . . 236 32 32 LEU HB2 H 1.716 . . 237 32 32 LEU HB3 H 1.535 . . 238 32 32 LEU HG H 1.640 . . 239 32 32 LEU HD1 H 0.789 . . 240 32 32 LEU HD2 H 0.763 . . 241 32 32 LEU C C 176.425 . . 242 32 32 LEU CA C 54.760 . . 243 32 32 LEU CB C 43.809 . . 244 32 32 LEU CG C 28.880 . . 245 32 32 LEU CD1 C 25.650 . . 246 32 32 LEU CD2 C 25.650 . . 247 32 32 LEU N N 127.408 . . 248 33 33 HIS H H 9.130 . . 249 33 33 HIS HA H 4.420 . . 250 33 33 HIS HB2 H 2.049 . . 251 33 33 HIS HB3 H 1.375 . . 252 33 33 HIS C C 171.914 . . 253 33 33 HIS CA C 55.300 . . 254 33 33 HIS CB C 32.050 . . 255 33 33 HIS N N 120.230 . . 256 34 34 ASN H H 8.759 . . 257 34 34 ASN HA H 3.600 . . 258 34 34 ASN HB2 H 3.047 . . 259 34 34 ASN HB3 H 2.413 . . 260 34 34 ASN HD21 H 6.870 . . 261 34 34 ASN HD22 H 7.600 . . 262 34 34 ASN C C 177.930 . . 263 34 34 ASN CA C 51.730 . . 264 34 34 ASN CB C 38.747 . . 265 34 34 ASN N N 123.987 . . 266 34 34 ASN ND2 N 113.000 . . 267 35 35 LEU H H 8.758 . . 268 35 35 LEU HA H 4.290 . . 269 35 35 LEU HB2 H 1.025 . . 270 35 35 LEU HB3 H 0.933 . . 271 35 35 LEU HG H 1.132 . . 272 35 35 LEU HD1 H -0.940 . . 273 35 35 LEU HD2 H 0.543 . . 274 35 35 LEU C C 177.363 . . 275 35 35 LEU CA C 56.550 . . 276 35 35 LEU CB C 42.762 . . 277 35 35 LEU CG C 27.000 . . 278 35 35 LEU CD1 C 23.300 . . 279 35 35 LEU CD2 C 22.930 . . 280 35 35 LEU N N 128.751 . . 281 36 36 LYS H H 8.454 . . 282 36 36 LYS HA H 3.933 . . 283 36 36 LYS HB2 H 1.608 . . 284 36 36 LYS HB3 H 1.350 . . 285 36 36 LYS HG2 H 1.292 . . 286 36 36 LYS HG3 H 1.363 . . 287 36 36 LYS HD2 H 1.693 . . 288 36 36 LYS HE2 H 3.010 . . 289 36 36 LYS C C 176.540 . . 290 36 36 LYS CA C 59.260 . . 291 36 36 LYS CB C 32.800 . . 292 36 36 LYS CG C 24.340 . . 293 36 36 LYS CD C 29.130 . . 294 36 36 LYS CE C 41.920 . . 295 36 36 LYS N N 120.870 . . 296 37 37 ASP H H 7.270 . . 297 37 37 ASP HA H 4.747 . . 298 37 37 ASP HB2 H 2.366 . . 299 37 37 ASP HB3 H 2.700 . . 300 37 37 ASP C C 175.500 . . 301 37 37 ASP CA C 54.805 . . 302 37 37 ASP CB C 44.650 . . 303 37 37 ASP N N 115.288 . . 304 38 38 ASP H H 8.124 . . 305 38 38 ASP HA H 4.865 . . 306 38 38 ASP HB2 H 2.405 . . 307 38 38 ASP HB3 H 2.225 . . 308 38 38 ASP C C 174.895 . . 309 38 38 ASP CA C 52.840 . . 310 38 38 ASP CB C 42.240 . . 311 38 38 ASP N N 121.550 . . 312 39 39 SER H H 8.330 . . 313 39 39 SER HA H 4.600 . . 314 39 39 SER HB2 H 4.140 . . 315 39 39 SER HB3 H 3.675 . . 316 39 39 SER C C 174.930 . . 317 39 39 SER CA C 54.786 . . 318 39 39 SER CB C 64.840 . . 319 39 39 SER N N 115.170 . . 320 40 40 PRO HA H 4.000 . . 321 40 40 PRO HB2 H 1.768 . . 322 40 40 PRO HB3 H 1.830 . . 323 40 40 PRO HG2 H 1.756 . . 324 40 40 PRO HG3 H 1.873 . . 325 40 40 PRO HD2 H 4.089 . . 326 40 40 PRO C C 176.620 . . 327 40 40 PRO CA C 63.870 . . 328 40 40 PRO CB C 31.360 . . 329 40 40 PRO CG C 27.300 . . 330 40 40 PRO CD C 50.580 . . 331 41 41 LYS H H 8.230 . . 332 41 41 LYS HA H 3.896 . . 333 41 41 LYS HB2 H 1.748 . . 334 41 41 LYS HG2 H 1.388 . . 335 41 41 LYS HD2 H 1.506 . . 336 41 41 LYS HD3 H 1.640 . . 337 41 41 LYS HE2 H 2.913 . . 338 41 41 LYS C C 179.580 . . 339 41 41 LYS CA C 58.000 . . 340 41 41 LYS CB C 32.100 . . 341 41 41 LYS CG C 24.900 . . 342 41 41 LYS CD C 28.900 . . 343 41 41 LYS CE C 42.190 . . 344 41 41 LYS N N 120.913 . . 345 42 42 LEU H H 7.598 . . 346 42 42 LEU HA H 4.025 . . 347 42 42 LEU HB2 H 1.875 . . 348 42 42 LEU HB3 H 1.415 . . 349 42 42 LEU HG H 0.830 . . 350 42 42 LEU HD1 H 1.786 . . 351 42 42 LEU HD2 H 0.820 . . 352 42 42 LEU C C 178.630 . . 353 42 42 LEU CA C 57.030 . . 354 42 42 LEU CB C 41.820 . . 355 42 42 LEU CG C 25.700 . . 356 42 42 LEU CD1 C 27.220 . . 357 42 42 LEU CD2 C 22.500 . . 358 42 42 LEU N N 118.206 . . 359 43 43 MET H H 8.180 . . 360 43 43 MET HA H 3.760 . . 361 43 43 MET HB2 H 1.697 . . 362 43 43 MET HB3 H 1.655 . . 363 43 43 MET HG2 H 0.821 . . 364 43 43 MET C C 177.710 . . 365 43 43 MET CA C 59.864 . . 366 43 43 MET CB C 32.680 . . 367 43 43 MET CG C 32.620 . . 368 43 43 MET N N 118.913 . . 369 44 44 GLU H H 7.205 . . 370 44 44 GLU HA H 3.732 . . 371 44 44 GLU HB2 H 2.223 . . 372 44 44 GLU HB3 H 2.020 . . 373 44 44 GLU HG2 H 2.418 . . 374 44 44 GLU HG3 H 2.348 . . 375 44 44 GLU C C 178.120 . . 376 44 44 GLU CA C 59.450 . . 377 44 44 GLU CB C 29.800 . . 378 44 44 GLU CG C 37.896 . . 379 44 44 GLU N N 110.906 . . 380 45 45 GLN H H 7.517 . . 381 45 45 GLN HA H 4.190 . . 382 45 45 GLN HB2 H 1.818 . . 383 45 45 GLN HB3 H 1.772 . . 384 45 45 GLN HG2 H 2.328 . . 385 45 45 GLN HE21 H 6.890 . . 386 45 45 GLN HE22 H 7.014 . . 387 45 45 GLN C C 175.480 . . 388 45 45 GLN CA C 56.100 . . 389 45 45 GLN CB C 28.490 . . 390 45 45 GLN CG C 33.188 . . 391 45 45 GLN N N 115.770 . . 392 45 45 GLN NE2 N 111.550 . . 393 46 46 TYR H H 6.955 . . 394 46 46 TYR HA H 4.660 . . 395 46 46 TYR HB2 H 3.430 . . 396 46 46 TYR HB3 H 2.693 . . 397 46 46 TYR C C 175.480 . . 398 46 46 TYR CA C 58.827 . . 399 46 46 TYR CB C 41.720 . . 400 46 46 TYR N N 117.840 . . 401 47 47 ASP H H 8.724 . . 402 47 47 ASP HA H 4.696 . . 403 47 47 ASP HB2 H 2.978 . . 404 47 47 ASP HB3 H 2.900 . . 405 47 47 ASP C C 175.677 . . 406 47 47 ASP CA C 56.812 . . 407 47 47 ASP CB C 42.978 . . 408 47 47 ASP N N 121.540 . . 409 48 48 VAL H H 7.631 . . 410 48 48 VAL HA H 5.057 . . 411 48 48 VAL HB H 1.850 . . 412 48 48 VAL HG1 H 0.862 . . 413 48 48 VAL HG2 H 1.072 . . 414 48 48 VAL C C 174.180 . . 415 48 48 VAL CA C 60.000 . . 416 48 48 VAL CB C 36.200 . . 417 48 48 VAL CG1 C 20.830 . . 418 48 48 VAL CG2 C 21.382 . . 419 48 48 VAL N N 118.666 . . 420 49 49 LEU H H 9.469 . . 421 49 49 LEU HA H 5.600 . . 422 49 49 LEU HB2 H 1.978 . . 423 49 49 LEU HB3 H 1.364 . . 424 49 49 LEU HG H 1.354 . . 425 49 49 LEU HD1 H 1.262 . . 426 49 49 LEU C C 174.810 . . 427 49 49 LEU CA C 52.230 . . 428 49 49 LEU CB C 45.400 . . 429 49 49 LEU CG C 26.320 . . 430 49 49 LEU CD1 C 25.000 . . 431 49 49 LEU N N 128.300 . . 432 50 50 ILE H H 9.213 . . 433 50 50 ILE HA H 5.650 . . 434 50 50 ILE HB H 1.702 . . 435 50 50 ILE HG12 H 0.916 . . 436 50 50 ILE HG13 H 1.574 . . 437 50 50 ILE HG2 H 1.285 . . 438 50 50 ILE HD1 H 0.730 . . 439 50 50 ILE C C 175.286 . . 440 50 50 ILE CA C 59.900 . . 441 50 50 ILE CB C 40.200 . . 442 50 50 ILE CG1 C 27.290 . . 443 50 50 ILE CG2 C 18.000 . . 444 50 50 ILE CD1 C 14.810 . . 445 50 50 ILE N N 124.400 . . 446 51 51 LEU H H 9.256 . . 447 51 51 LEU HA H 6.070 . . 448 51 51 LEU HB2 H 2.162 . . 449 51 51 LEU HB3 H 1.503 . . 450 51 51 LEU HG H 1.357 . . 451 51 51 LEU HD2 H 0.928 . . 452 51 51 LEU C C 174.540 . . 453 51 51 LEU CA C 52.950 . . 454 51 51 LEU CB C 43.190 . . 455 51 51 LEU CG C 26.250 . . 456 51 51 LEU CD2 C 26.800 . . 457 51 51 LEU N N 127.410 . . 458 52 52 GLY H H 8.949 . . 459 52 52 GLY HA2 H 3.816 . . 460 52 52 GLY HA3 H 2.368 . . 461 52 52 GLY C C 174.330 . . 462 52 52 GLY CA C 44.040 . . 463 52 52 GLY N N 108.290 . . 464 53 53 ILE H H 8.612 . . 465 53 53 ILE HA H 4.175 . . 466 53 53 ILE HB H 1.934 . . 467 53 53 ILE C C 174.470 . . 468 53 53 ILE CA C 55.850 . . 469 53 53 ILE CB C 42.800 . . 470 53 53 ILE N N 124.912 . . 471 54 54 PRO HA H 4.812 . . 472 54 54 PRO HB2 H 1.935 . . 473 54 54 PRO HB3 H 2.450 . . 474 54 54 PRO HD2 H 3.725 . . 475 54 54 PRO C C 174.565 . . 476 54 54 PRO CA C 61.850 . . 477 54 54 PRO CB C 32.400 . . 478 55 55 THR H H 7.663 . . 479 55 55 THR HA H 4.522 . . 480 55 55 THR HB H 4.168 . . 481 55 55 THR HG2 H 1.560 . . 482 55 55 THR C C 173.990 . . 483 55 55 THR CA C 62.845 . . 484 55 55 THR CB C 70.795 . . 485 55 55 THR CG2 C 21.600 . . 486 55 55 THR N N 116.040 . . 487 56 56 TRP H H 9.075 . . 488 56 56 TRP CA C 54.800 . . 489 56 56 TRP N N 130.540 . . 490 58 58 PHE HA H 4.540 . . 491 58 58 PHE HB2 H 2.693 . . 492 58 58 PHE C C 177.070 . . 493 58 58 PHE CA C 55.460 . . 494 58 58 PHE CB C 41.200 . . 495 59 59 GLY H H 8.392 . . 496 59 59 GLY HA2 H 4.520 . . 497 59 59 GLY HA3 H 3.950 . . 498 59 59 GLY CA C 45.763 . . 499 59 59 GLY N N 109.796 . . 500 60 60 GLU C C 175.660 . . 501 60 60 GLU CD C 174.380 . . 502 61 61 ILE H H 8.436 . . 503 61 61 ILE HA H 4.440 . . 504 61 61 ILE CA C 62.100 . . 505 61 61 ILE CB C 38.750 . . 506 61 61 ILE N N 122.380 . . 507 62 62 GLN HG2 H 2.310 . . 508 62 62 GLN HG3 H 2.495 . . 509 62 62 GLN HE21 H 7.477 . . 510 62 62 GLN HE22 H 6.820 . . 511 62 62 GLN CB C 30.570 . . 512 62 62 GLN CG C 34.740 . . 513 62 62 GLN NE2 N 112.800 . . 514 63 63 GLU HA H 4.030 . . 515 63 63 GLU HB3 H 2.034 . . 516 63 63 GLU HG2 H 2.179 . . 517 63 63 GLU C C 177.134 . . 518 63 63 GLU CA C 60.520 . . 519 63 63 GLU CB C 29.650 . . 520 63 63 GLU CG C 34.980 . . 521 64 64 ASP H H 7.568 . . 522 64 64 ASP HA H 4.592 . . 523 64 64 ASP HB2 H 2.700 . . 524 64 64 ASP HB3 H 2.165 . . 525 64 64 ASP C C 178.680 . . 526 64 64 ASP CA C 57.823 . . 527 64 64 ASP CB C 41.100 . . 528 64 64 ASP N N 119.630 . . 529 65 65 TRP H H 7.416 . . 530 65 65 TRP HA H 4.325 . . 531 65 65 TRP HB2 H 3.287 . . 532 65 65 TRP C C 178.684 . . 533 65 65 TRP CA C 60.500 . . 534 65 65 TRP CB C 30.100 . . 535 65 65 TRP N N 120.535 . . 536 66 66 GLU H H 8.550 . . 537 66 66 GLU HA H 3.820 . . 538 66 66 GLU HB2 H 2.030 . . 539 66 66 GLU HB3 H 1.679 . . 540 66 66 GLU HG2 H 2.150 . . 541 66 66 GLU C C 178.860 . . 542 66 66 GLU CA C 60.100 . . 543 66 66 GLU CB C 29.010 . . 544 66 66 GLU CG C 36.060 . . 545 66 66 GLU N N 120.760 . . 546 67 67 ALA H H 7.690 . . 547 67 67 ALA HA H 4.247 . . 548 67 67 ALA HB H 1.600 . . 549 67 67 ALA C C 179.610 . . 550 67 67 ALA CA C 54.600 . . 551 67 67 ALA CB C 18.788 . . 552 67 67 ALA N N 118.972 . . 553 68 68 VAL H H 7.240 . . 554 68 68 VAL HA H 4.710 . . 555 68 68 VAL HB H 2.433 . . 556 68 68 VAL HG1 H 0.951 . . 557 68 68 VAL HG2 H 0.937 . . 558 68 68 VAL C C 176.800 . . 559 68 68 VAL CA C 60.060 . . 560 68 68 VAL CB C 32.600 . . 561 68 68 VAL CG1 C 18.790 . . 562 68 68 VAL CG2 C 21.000 . . 563 68 68 VAL N N 107.530 . . 564 69 69 TRP H H 7.810 . . 565 69 69 TRP HA H 4.182 . . 566 69 69 TRP HB2 H 3.815 . . 567 69 69 TRP HB3 H 3.330 . . 568 69 69 TRP C C 178.640 . . 569 69 69 TRP CA C 61.300 . . 570 69 69 TRP CB C 31.570 . . 571 69 69 TRP N N 126.960 . . 572 70 70 ASP H H 8.683 . . 573 70 70 ASP HA H 4.519 . . 574 70 70 ASP HB2 H 2.714 . . 575 70 70 ASP HB3 H 2.780 . . 576 70 70 ASP C C 178.685 . . 577 70 70 ASP CA C 56.000 . . 578 70 70 ASP CB C 39.810 . . 579 70 70 ASP N N 114.644 . . 580 71 71 GLN H H 7.980 . . 581 71 71 GLN HA H 4.190 . . 582 71 71 GLN HB2 H 2.110 . . 583 71 71 GLN HB3 H 2.035 . . 584 71 71 GLN HG2 H 2.490 . . 585 71 71 GLN HG3 H 2.390 . . 586 71 71 GLN HE21 H 6.920 . . 587 71 71 GLN HE22 H 7.770 . . 588 71 71 GLN C C 178.870 . . 589 71 71 GLN CA C 57.617 . . 590 71 71 GLN CB C 28.820 . . 591 71 71 GLN CG C 34.400 . . 592 71 71 GLN N N 120.100 . . 593 71 71 GLN NE2 N 112.200 . . 594 72 72 LEU H H 7.435 . . 595 72 72 LEU HA H 3.797 . . 596 72 72 LEU HB2 H 1.573 . . 597 72 72 LEU HB3 H 0.939 . . 598 72 72 LEU HG H 1.939 . . 599 72 72 LEU HD1 H 0.665 . . 600 72 72 LEU HD2 H 0.468 . . 601 72 72 LEU C C 178.308 . . 602 72 72 LEU CA C 57.340 . . 603 72 72 LEU CB C 41.700 . . 604 72 72 LEU CG C 26.180 . . 605 72 72 LEU CD1 C 21.970 . . 606 72 72 LEU CD2 C 25.720 . . 607 72 72 LEU N N 117.535 . . 608 73 73 ASP H H 7.495 . . 609 73 73 ASP HA H 4.150 . . 610 73 73 ASP HB2 H 2.658 . . 611 73 73 ASP HB3 H 2.614 . . 612 73 73 ASP C C 177.553 . . 613 73 73 ASP CA C 57.350 . . 614 73 73 ASP CB C 40.040 . . 615 73 73 ASP N N 115.534 . . 616 74 74 ASP H H 7.374 . . 617 74 74 ASP HA H 4.706 . . 618 74 74 ASP HB2 H 2.800 . . 619 74 74 ASP HB3 H 2.490 . . 620 74 74 ASP C C 176.424 . . 621 74 74 ASP CA C 54.170 . . 622 74 74 ASP CB C 41.820 . . 623 74 74 ASP N N 117.300 . . 624 75 75 LEU H H 6.966 . . 625 75 75 LEU HA H 4.295 . . 626 75 75 LEU HB2 H 1.658 . . 627 75 75 LEU HB3 H 1.040 . . 628 75 75 LEU HG H 1.934 . . 629 75 75 LEU HD1 H 0.685 . . 630 75 75 LEU HD2 H 0.777 . . 631 75 75 LEU C C 176.800 . . 632 75 75 LEU CA C 54.400 . . 633 75 75 LEU CB C 43.280 . . 634 75 75 LEU CG C 26.070 . . 635 75 75 LEU CD1 C 23.060 . . 636 75 75 LEU CD2 C 28.600 . . 637 75 75 LEU N N 118.500 . . 638 76 76 ASN H H 9.882 . . 639 76 76 ASN HA H 4.862 . . 640 76 76 ASN HB2 H 2.924 . . 641 76 76 ASN HB3 H 2.686 . . 642 76 76 ASN HD21 H 7.570 . . 643 76 76 ASN HD22 H 6.843 . . 644 76 76 ASN C C 174.927 . . 645 76 76 ASN CA C 51.881 . . 646 76 76 ASN CB C 37.510 . . 647 76 76 ASN N N 123.040 . . 648 76 76 ASN ND2 N 111.870 . . 649 77 77 LEU H H 8.700 . . 650 77 77 LEU HA H 4.370 . . 651 77 77 LEU HB2 H 1.450 . . 652 77 77 LEU HB3 H 1.232 . . 653 77 77 LEU HG H 1.340 . . 654 77 77 LEU HD1 H 0.528 . . 655 77 77 LEU HD2 H 0.590 . . 656 77 77 LEU C C 175.110 . . 657 77 77 LEU CA C 52.200 . . 658 77 77 LEU CB C 42.786 . . 659 77 77 LEU CG C 26.400 . . 660 77 77 LEU CD1 C 22.000 . . 661 77 77 LEU CD2 C 25.400 . . 662 77 77 LEU N N 123.614 . . 663 78 78 GLU H H 7.665 . . 664 78 78 GLU HA H 3.900 . . 665 78 78 GLU HB2 H 2.017 . . 666 78 78 GLU HB3 H 2.073 . . 667 78 78 GLU HG2 H 2.362 . . 668 78 78 GLU HG3 H 2.305 . . 669 78 78 GLU C C 178.670 . . 670 78 78 GLU CA C 58.700 . . 671 78 78 GLU CB C 29.467 . . 672 78 78 GLU CG C 36.300 . . 673 78 78 GLU N N 120.822 . . 674 79 79 GLY H H 8.450 . . 675 79 79 GLY HA2 H 4.288 . . 676 79 79 GLY HA3 H 3.650 . . 677 79 79 GLY C C 174.523 . . 678 79 79 GLY CA C 45.420 . . 679 79 79 GLY N N 113.160 . . 680 80 80 LYS H H 7.758 . . 681 80 80 LYS HA H 4.358 . . 682 80 80 LYS HB2 H 1.666 . . 683 80 80 LYS HB3 H 1.580 . . 684 80 80 LYS HG2 H 1.490 . . 685 80 80 LYS HG3 H 1.240 . . 686 80 80 LYS HD2 H 1.620 . . 687 80 80 LYS HD3 H 1.900 . . 688 80 80 LYS HE2 H 3.066 . . 689 80 80 LYS HE3 H 3.405 . . 690 80 80 LYS C C 175.304 . . 691 80 80 LYS CA C 56.890 . . 692 80 80 LYS CB C 33.120 . . 693 80 80 LYS CG C 26.572 . . 694 80 80 LYS CD C 28.400 . . 695 80 80 LYS CE C 43.670 . . 696 80 80 LYS N N 120.283 . . 697 81 81 ILE H H 7.405 . . 698 81 81 ILE HA H 4.806 . . 699 81 81 ILE HB H 1.846 . . 700 81 81 ILE HG12 H 1.606 . . 701 81 81 ILE HG13 H 0.893 . . 702 81 81 ILE HG2 H 0.816 . . 703 81 81 ILE HD1 H 0.660 . . 704 81 81 ILE C C 174.750 . . 705 81 81 ILE CA C 59.820 . . 706 81 81 ILE CB C 38.850 . . 707 81 81 ILE CG1 C 28.400 . . 708 81 81 ILE CG2 C 19.300 . . 709 81 81 ILE CD1 C 13.240 . . 710 81 81 ILE N N 122.288 . . 711 82 82 VAL H H 8.800 . . 712 82 82 VAL HA H 5.280 . . 713 82 82 VAL HB H 1.460 . . 714 82 82 VAL HG1 H 0.716 . . 715 82 82 VAL HG2 H 1.000 . . 716 82 82 VAL C C 172.680 . . 717 82 82 VAL CA C 60.100 . . 718 82 82 VAL CB C 35.280 . . 719 82 82 VAL CG1 C 22.000 . . 720 82 82 VAL CG2 C 22.900 . . 721 82 82 VAL N N 127.793 . . 722 83 83 ALA H H 9.252 . . 723 83 83 ALA HA H 5.389 . . 724 83 83 ALA HB H 1.347 . . 725 83 83 ALA C C 175.870 . . 726 83 83 ALA CA C 50.000 . . 727 83 83 ALA CB C 23.722 . . 728 83 83 ALA N N 130.911 . . 729 84 84 LEU H H 10.378 . . 730 84 84 LEU HA H 5.508 . . 731 84 84 LEU HB2 H 2.097 . . 732 84 84 LEU HB3 H 1.315 . . 733 84 84 LEU HG H 2.220 . . 734 84 84 LEU HD1 H 0.927 . . 735 84 84 LEU HD2 H 0.997 . . 736 84 84 LEU C C 175.490 . . 737 84 84 LEU CA C 53.670 . . 738 84 84 LEU CB C 45.000 . . 739 84 84 LEU CG C 26.890 . . 740 84 84 LEU CD1 C 26.500 . . 741 84 84 LEU CD2 C 26.500 . . 742 84 84 LEU N N 124.269 . . 743 85 85 TYR H H 9.200 . . 744 85 85 TYR HA H 4.950 . . 745 85 85 TYR HB2 H 2.042 . . 746 85 85 TYR HB3 H 1.993 . . 747 85 85 TYR C C 172.661 . . 748 85 85 TYR CA C 55.853 . . 749 85 85 TYR CB C 43.200 . . 750 85 85 TYR N N 115.826 . . 751 86 86 GLY H H 8.752 . . 752 86 86 GLY HA2 H 4.700 . . 753 86 86 GLY HA3 H 3.210 . . 754 86 86 GLY C C 170.348 . . 755 86 86 GLY CA C 44.687 . . 756 86 86 GLY N N 106.802 . . 757 87 87 LEU H H 6.320 . . 758 87 87 LEU HA H 5.476 . . 759 87 87 LEU HB2 H 2.045 . . 760 87 87 LEU HB3 H 1.390 . . 761 87 87 LEU HG H 1.930 . . 762 87 87 LEU HD1 H 1.081 . . 763 87 87 LEU C C 177.720 . . 764 87 87 LEU CA C 52.630 . . 765 87 87 LEU CB C 45.900 . . 766 87 87 LEU CG C 26.460 . . 767 87 87 LEU CD1 C 25.300 . . 768 87 87 LEU N N 120.860 . . 769 88 88 GLY H H 8.320 . . 770 88 88 GLY HA2 H 4.530 . . 771 88 88 GLY HA3 H 3.793 . . 772 88 88 GLY C C 171.386 . . 773 88 88 GLY CA C 45.710 . . 774 88 88 GLY N N 109.910 . . 775 89 89 ASP H H 8.800 . . 776 89 89 ASP HA H 5.190 . . 777 89 89 ASP HB2 H 2.900 . . 778 89 89 ASP HB3 H 3.125 . . 779 89 89 ASP C C 176.608 . . 780 89 89 ASP CA C 52.200 . . 781 89 89 ASP CB C 41.900 . . 782 89 89 ASP N N 121.580 . . 783 90 90 GLN H H 8.726 . . 784 90 90 GLN HA H 3.645 . . 785 90 90 GLN HB2 H 2.473 . . 786 90 90 GLN HB3 H 0.648 . . 787 90 90 GLN HG2 H 2.003 . . 788 90 90 GLN HG3 H 2.200 . . 789 90 90 GLN HE21 H 6.166 . . 790 90 90 GLN HE22 H 8.948 . . 791 90 90 GLN C C 173.523 . . 792 90 90 GLN CA C 58.706 . . 793 90 90 GLN CB C 28.800 . . 794 90 90 GLN CG C 34.347 . . 795 90 90 GLN N N 123.900 . . 796 90 90 GLN NE2 N 109.700 . . 797 91 91 LEU H H 7.092 . . 798 91 91 LEU HA H 4.470 . . 799 91 91 LEU HB2 H 1.650 . . 800 91 91 LEU HB3 H 1.526 . . 801 91 91 LEU HG H 1.465 . . 802 91 91 LEU HD1 H 0.893 . . 803 91 91 LEU HD2 H 0.824 . . 804 91 91 LEU C C 179.840 . . 805 91 91 LEU CA C 55.800 . . 806 91 91 LEU CB C 41.640 . . 807 91 91 LEU CG C 27.200 . . 808 91 91 LEU CD1 C 24.950 . . 809 91 91 LEU CD2 C 22.600 . . 810 91 91 LEU N N 117.080 . . 811 92 92 GLY H H 9.243 . . 812 92 92 GLY HA2 H 3.857 . . 813 92 92 GLY HA3 H 3.528 . . 814 92 92 GLY C C 174.824 . . 815 92 92 GLY CA C 46.390 . . 816 92 92 GLY N N 110.460 . . 817 93 93 TYR H H 7.252 . . 818 93 93 TYR HA H 5.173 . . 819 93 93 TYR HB2 H 3.707 . . 820 93 93 TYR HB3 H 3.095 . . 821 93 93 TYR C C 177.805 . . 822 93 93 TYR CA C 57.430 . . 823 93 93 TYR CB C 39.300 . . 824 93 93 TYR N N 118.140 . . 825 94 94 GLY H H 8.154 . . 826 94 94 GLY HA2 H 4.070 . . 827 94 94 GLY HA3 H 4.347 . . 828 94 94 GLY C C 177.740 . . 829 94 94 GLY CA C 49.880 . . 830 94 94 GLY N N 112.455 . . 831 95 95 GLU H H 8.829 . . 832 95 95 GLU HA H 4.000 . . 833 95 95 GLU HB2 H 0.622 . . 834 95 95 GLU HB3 H 0.660 . . 835 95 95 GLU HG2 H 1.753 . . 836 95 95 GLU HG3 H 1.587 . . 837 95 95 GLU C C 175.145 . . 838 95 95 GLU CA C 57.950 . . 839 95 95 GLU CB C 27.400 . . 840 95 95 GLU CG C 36.340 . . 841 95 95 GLU N N 123.040 . . 842 96 96 TRP H H 7.785 . . 843 96 96 TRP HA H 5.213 . . 844 96 96 TRP HB2 H 3.550 . . 845 96 96 TRP HB3 H 3.068 . . 846 96 96 TRP C C 176.616 . . 847 96 96 TRP CA C 57.120 . . 848 96 96 TRP CB C 29.970 . . 849 96 96 TRP N N 118.000 . . 850 97 97 PHE H H 7.054 . . 851 97 97 PHE HA H 4.660 . . 852 97 97 PHE HB2 H 3.390 . . 853 97 97 PHE HB3 H 3.110 . . 854 97 97 PHE CA C 58.742 . . 855 97 97 PHE CB C 40.835 . . 856 97 97 PHE N N 123.268 . . 857 98 98 LEU H H 8.584 . . 858 98 98 LEU HA H 3.440 . . 859 98 98 LEU HB2 H 1.195 . . 860 98 98 LEU HG H -0.615 . . 861 98 98 LEU HD1 H -0.142 . . 862 98 98 LEU C C 176.613 . . 863 98 98 LEU CA C 56.000 . . 864 98 98 LEU CB C 38.600 . . 865 98 98 LEU CG C 25.700 . . 866 98 98 LEU CD1 C 23.200 . . 867 99 99 ASP H H 8.326 . . 868 99 99 ASP HA H 3.965 . . 869 99 99 ASP HB2 H 2.560 . . 870 99 99 ASP HB3 H 2.598 . . 871 99 99 ASP C C 178.876 . . 872 99 99 ASP CA C 59.260 . . 873 99 99 ASP CB C 40.350 . . 874 99 99 ASP N N 123.268 . . 875 100 100 ALA H H 8.400 . . 876 100 100 ALA HA H 3.822 . . 877 100 100 ALA HB H 1.083 . . 878 100 100 ALA C C 178.490 . . 879 100 100 ALA CA C 55.100 . . 880 100 100 ALA CB C 19.700 . . 881 100 100 ALA N N 119.124 . . 882 101 101 LEU H H 6.518 . . 883 101 101 LEU HA H 3.674 . . 884 101 101 LEU HB2 H 1.080 . . 885 101 101 LEU HB3 H 1.908 . . 886 101 101 LEU HG H 0.477 . . 887 101 101 LEU HD1 H 0.315 . . 888 101 101 LEU C C 179.050 . . 889 101 101 LEU CA C 57.800 . . 890 101 101 LEU CB C 42.650 . . 891 101 101 LEU CG C 26.500 . . 892 101 101 LEU CD1 C 26.000 . . 893 101 101 LEU N N 118.687 . . 894 102 102 GLY H H 7.712 . . 895 102 102 GLY HA2 H 3.430 . . 896 102 102 GLY HA3 H 3.576 . . 897 102 102 GLY C C 176.056 . . 898 102 102 GLY CA C 47.750 . . 899 102 102 GLY N N 104.410 . . 900 103 103 MET H H 8.485 . . 901 103 103 MET HA H 4.256 . . 902 103 103 MET HB2 H 2.762 . . 903 103 103 MET HB3 H 2.687 . . 904 103 103 MET C C 179.650 . . 905 103 103 MET CA C 59.450 . . 906 103 103 MET CB C 32.300 . . 907 103 103 MET N N 120.550 . . 908 104 104 LEU H H 8.392 . . 909 104 104 LEU HA H 4.061 . . 910 104 104 LEU HB2 H 1.872 . . 911 104 104 LEU HB3 H 1.442 . . 912 104 104 LEU HG H 0.237 . . 913 104 104 LEU HD1 H 0.420 . . 914 104 104 LEU C C 177.750 . . 915 104 104 LEU CA C 58.100 . . 916 104 104 LEU CB C 41.450 . . 917 104 104 LEU CG C 26.800 . . 918 104 104 LEU CD1 C 22.580 . . 919 104 104 LEU CD2 C 25.450 . . 920 104 104 LEU N N 123.480 . . 921 105 105 HIS H H 8.247 . . 922 105 105 HIS HA H 3.852 . . 923 105 105 HIS HB2 H 2.827 . . 924 105 105 HIS HB3 H 3.278 . . 925 105 105 HIS C C 177.550 . . 926 105 105 HIS CA C 61.000 . . 927 105 105 HIS CB C 28.820 . . 928 105 105 HIS N N 119.570 . . 929 106 106 ASP H H 8.550 . . 930 106 106 ASP HA H 4.333 . . 931 106 106 ASP HB2 H 2.800 . . 932 106 106 ASP HB3 H 2.910 . . 933 106 106 ASP C C 179.410 . . 934 106 106 ASP CA C 57.800 . . 935 106 106 ASP CB C 40.600 . . 936 106 106 ASP N N 119.780 . . 937 107 107 LYS H H 7.995 . . 938 107 107 LYS HA H 4.100 . . 939 107 107 LYS HB2 H 1.917 . . 940 107 107 LYS HB3 H 1.715 . . 941 107 107 LYS HG2 H 1.160 . . 942 107 107 LYS HG3 H 0.876 . . 943 107 107 LYS C C 178.316 . . 944 107 107 LYS CA C 58.750 . . 945 107 107 LYS CB C 31.850 . . 946 107 107 LYS CG C 23.730 . . 947 107 107 LYS CD C 40.780 . . 948 107 107 LYS N N 121.660 . . 949 108 108 LEU H H 8.072 . . 950 108 108 LEU HA H 4.010 . . 951 108 108 LEU HB2 H 1.922 . . 952 108 108 LEU HB3 H 1.414 . . 953 108 108 LEU HG H 1.782 . . 954 108 108 LEU HD1 H 0.772 . . 955 108 108 LEU HD2 H 0.555 . . 956 108 108 LEU C C 179.050 . . 957 108 108 LEU CA C 56.240 . . 958 108 108 LEU CB C 41.800 . . 959 108 108 LEU CG C 26.920 . . 960 108 108 LEU CD1 C 27.000 . . 961 108 108 LEU CD2 C 22.050 . . 962 108 108 LEU N N 116.050 . . 963 109 109 SER H H 8.366 . . 964 109 109 SER HA H 4.300 . . 965 109 109 SER HB2 H 4.110 . . 966 109 109 SER HB3 H 4.040 . . 967 109 109 SER C C 175.848 . . 968 109 109 SER CA C 62.410 . . 969 109 109 SER CB C 62.850 . . 970 109 109 SER N N 116.280 . . 971 110 110 THR H H 7.185 . . 972 110 110 THR HA H 4.614 . . 973 110 110 THR HB H 4.593 . . 974 110 110 THR HG2 H 1.320 . . 975 110 110 THR C C 175.675 . . 976 110 110 THR CA C 62.030 . . 977 110 110 THR CB C 68.810 . . 978 110 110 THR CG2 C 21.670 . . 979 110 110 THR N N 110.416 . . 980 111 111 LYS H H 7.710 . . 981 111 111 LYS HA H 4.513 . . 982 111 111 LYS HB2 H 2.178 . . 983 111 111 LYS HB3 H 1.796 . . 984 111 111 LYS HG2 H 1.790 . . 985 111 111 LYS HD2 H 1.530 . . 986 111 111 LYS HD3 H 1.755 . . 987 111 111 LYS HE2 H 3.100 . . 988 111 111 LYS C C 176.814 . . 989 111 111 LYS CA C 55.730 . . 990 111 111 LYS CB C 30.930 . . 991 111 111 LYS CG C 23.600 . . 992 111 111 LYS CD C 27.270 . . 993 111 111 LYS CE C 40.800 . . 994 111 111 LYS N N 120.090 . . 995 112 112 GLY H H 8.315 . . 996 112 112 GLY HA2 H 4.050 . . 997 112 112 GLY HA3 H 3.900 . . 998 112 112 GLY C C 176.223 . . 999 112 112 GLY CA C 46.926 . . 1000 112 112 GLY N N 107.540 . . 1001 113 113 VAL H H 6.835 . . 1002 113 113 VAL HA H 4.494 . . 1003 113 113 VAL HB H 1.743 . . 1004 113 113 VAL HG1 H -0.148 . . 1005 113 113 VAL HG2 H 0.600 . . 1006 113 113 VAL C C 174.560 . . 1007 113 113 VAL CA C 59.550 . . 1008 113 113 VAL CB C 32.800 . . 1009 113 113 VAL CG1 C 18.220 . . 1010 113 113 VAL CG2 C 22.000 . . 1011 113 113 VAL N N 113.536 . . 1012 114 114 LYS H H 8.480 . . 1013 114 114 LYS HA H 4.494 . . 1014 114 114 LYS HB2 H 1.450 . . 1015 114 114 LYS HG2 H 1.150 . . 1016 114 114 LYS HG3 H 1.055 . . 1017 114 114 LYS HD2 H 1.430 . . 1018 114 114 LYS HD3 H -0.137 . . 1019 114 114 LYS HE2 H 2.815 . . 1020 114 114 LYS C C 174.925 . . 1021 114 114 LYS CA C 54.280 . . 1022 114 114 LYS CB C 33.630 . . 1023 114 114 LYS CG C 24.586 . . 1024 114 114 LYS CD C 29.150 . . 1025 114 114 LYS CE C 42.160 . . 1026 114 114 LYS N N 122.920 . . 1027 115 115 PHE H H 8.506 . . 1028 115 115 PHE HA H 5.700 . . 1029 115 115 PHE HB2 H 3.105 . . 1030 115 115 PHE HB3 H 2.859 . . 1031 115 115 PHE C C 177.580 . . 1032 115 115 PHE CA C 58.677 . . 1033 115 115 PHE CB C 41.120 . . 1034 115 115 PHE N N 123.140 . . 1035 116 116 VAL H H 8.860 . . 1036 116 116 VAL HA H 4.478 . . 1037 116 116 VAL HB H 2.344 . . 1038 116 116 VAL HG1 H 0.562 . . 1039 116 116 VAL HG2 H 0.723 . . 1040 116 116 VAL C C 175.300 . . 1041 116 116 VAL CA C 58.877 . . 1042 116 116 VAL CB C 34.120 . . 1043 116 116 VAL CG1 C 18.240 . . 1044 116 116 VAL CG2 C 22.590 . . 1045 116 116 VAL N N 115.737 . . 1046 117 117 GLY H H 9.838 . . 1047 117 117 GLY HA2 H 4.295 . . 1048 117 117 GLY HA3 H 3.667 . . 1049 117 117 GLY C C 176.110 . . 1050 117 117 GLY CA C 47.500 . . 1051 117 117 GLY N N 108.137 . . 1052 118 118 TYR H H 8.652 . . 1053 118 118 TYR HA H 4.970 . . 1054 118 118 TYR HB2 H 3.211 . . 1055 118 118 TYR HB3 H 3.125 . . 1056 118 118 TYR C C 177.630 . . 1057 118 118 TYR CA C 55.800 . . 1058 118 118 TYR CB C 35.970 . . 1059 118 118 TYR N N 120.380 . . 1060 119 119 TRP H H 8.070 . . 1061 119 119 TRP HA H 6.021 . . 1062 119 119 TRP HB2 H 3.573 . . 1063 119 119 TRP HB3 H 3.212 . . 1064 119 119 TRP C C 173.000 . . 1065 119 119 TRP CA C 53.820 . . 1066 119 119 TRP CB C 36.050 . . 1067 119 119 TRP N N 126.040 . . 1068 120 120 PRO HA H 4.784 . . 1069 120 120 PRO HB2 H 2.504 . . 1070 120 120 PRO HB3 H 1.830 . . 1071 120 120 PRO HG2 H 1.687 . . 1072 120 120 PRO HD2 H 3.810 . . 1073 120 120 PRO HD3 H 2.203 . . 1074 120 120 PRO C C 176.870 . . 1075 120 120 PRO CA C 63.780 . . 1076 120 120 PRO CB C 31.990 . . 1077 120 120 PRO CG C 27.800 . . 1078 120 120 PRO CD C 51.400 . . 1079 121 121 THR H H 7.370 . . 1080 121 121 THR HA H 4.073 . . 1081 121 121 THR HB H 4.254 . . 1082 121 121 THR HG2 H -0.190 . . 1083 121 121 THR C C 176.324 . . 1084 121 121 THR CA C 61.250 . . 1085 121 121 THR CB C 69.730 . . 1086 121 121 THR CG2 C 20.920 . . 1087 121 121 THR N N 109.310 . . 1088 122 122 GLU H H 7.260 . . 1089 122 122 GLU HA H 4.224 . . 1090 122 122 GLU HB2 H 2.060 . . 1091 122 122 GLU HB3 H 1.930 . . 1092 122 122 GLU HG2 H 2.276 . . 1093 122 122 GLU C C 177.737 . . 1094 122 122 GLU CA C 58.200 . . 1095 122 122 GLU CB C 29.800 . . 1096 122 122 GLU CG C 35.870 . . 1097 122 122 GLU N N 123.937 . . 1098 123 123 GLY H H 9.144 . . 1099 123 123 GLY HA2 H 4.212 . . 1100 123 123 GLY HA3 H 3.649 . . 1101 123 123 GLY C C 173.783 . . 1102 123 123 GLY CA C 45.380 . . 1103 123 123 GLY N N 114.563 . . 1104 124 124 TYR H H 7.895 . . 1105 124 124 TYR HA H 5.218 . . 1106 124 124 TYR HB2 H 3.360 . . 1107 124 124 TYR HB3 H 2.790 . . 1108 124 124 TYR C C 175.673 . . 1109 124 124 TYR CA C 56.950 . . 1110 124 124 TYR CB C 41.100 . . 1111 124 124 TYR N N 118.800 . . 1112 125 125 GLU H H 9.185 . . 1113 125 125 GLU HA H 4.685 . . 1114 125 125 GLU HB2 H 1.900 . . 1115 125 125 GLU HB3 H 1.800 . . 1116 125 125 GLU HG2 H 2.100 . . 1117 125 125 GLU C C 172.877 . . 1118 125 125 GLU CA C 55.700 . . 1119 125 125 GLU CB C 31.340 . . 1120 125 125 GLU CG C 35.770 . . 1121 125 125 GLU N N 124.790 . . 1122 126 126 PHE H H 7.645 . . 1123 126 126 PHE HA H 4.841 . . 1124 126 126 PHE HB2 H 3.427 . . 1125 126 126 PHE HB3 H 3.190 . . 1126 126 126 PHE C C 173.800 . . 1127 126 126 PHE CA C 56.950 . . 1128 126 126 PHE CB C 40.300 . . 1129 126 126 PHE N N 118.670 . . 1130 127 127 THR H H 7.306 . . 1131 127 127 THR HA H 4.370 . . 1132 127 127 THR HB H 4.236 . . 1133 127 127 THR HG2 H 0.998 . . 1134 127 127 THR C C 175.100 . . 1135 127 127 THR CA C 61.080 . . 1136 127 127 THR CB C 70.500 . . 1137 127 127 THR CG2 C 22.000 . . 1138 127 127 THR N N 107.038 . . 1139 128 128 SER H H 7.354 . . 1140 128 128 SER HA H 4.650 . . 1141 128 128 SER HB2 H 4.000 . . 1142 128 128 SER HB3 H 4.076 . . 1143 128 128 SER C C 175.760 . . 1144 128 128 SER CA C 55.813 . . 1145 128 128 SER CB C 65.300 . . 1146 128 128 SER N N 118.150 . . 1147 129 129 PRO HA H 4.764 . . 1148 129 129 PRO HB2 H 2.212 . . 1149 129 129 PRO HB3 H 2.063 . . 1150 129 129 PRO C C 178.860 . . 1151 129 129 PRO CA C 62.728 . . 1152 129 129 PRO CB C 32.400 . . 1153 129 129 PRO CD C 50.700 . . 1154 130 130 LYS H H 8.430 . . 1155 130 130 LYS HA H 4.210 . . 1156 130 130 LYS HB2 H 2.060 . . 1157 130 130 LYS HB3 H 1.615 . . 1158 130 130 LYS HG2 H 1.585 . . 1159 130 130 LYS HG3 H 1.434 . . 1160 130 130 LYS HD2 H 3.010 . . 1161 130 130 LYS C C 176.890 . . 1162 130 130 LYS CA C 61.375 . . 1163 130 130 LYS CB C 30.350 . . 1164 130 130 LYS CG C 26.560 . . 1165 130 130 LYS CD C 41.980 . . 1166 130 130 LYS N N 122.158 . . 1167 131 131 PRO HA H 4.533 . . 1168 131 131 PRO HB2 H 2.068 . . 1169 131 131 PRO HB3 H 1.760 . . 1170 131 131 PRO C C 173.810 . . 1171 131 131 PRO CA C 64.510 . . 1172 131 131 PRO CB C 31.745 . . 1173 132 132 VAL H H 6.716 . . 1174 132 132 VAL HA H 5.158 . . 1175 132 132 VAL HB H 1.924 . . 1176 132 132 VAL HG1 H 0.917 . . 1177 132 132 VAL HG2 H 0.827 . . 1178 132 132 VAL C C 175.137 . . 1179 132 132 VAL CA C 59.800 . . 1180 132 132 VAL CB C 34.780 . . 1181 132 132 VAL CG1 C 19.730 . . 1182 132 132 VAL CG2 C 23.088 . . 1183 132 132 VAL N N 114.480 . . 1184 133 133 ILE H H 8.740 . . 1185 133 133 ILE HA H 4.392 . . 1186 133 133 ILE HB H 1.673 . . 1187 133 133 ILE HG12 H 0.900 . . 1188 133 133 ILE HG13 H 0.493 . . 1189 133 133 ILE HG2 H 0.410 . . 1190 133 133 ILE HD1 H 0.145 . . 1191 133 133 ILE C C 175.485 . . 1192 133 133 ILE CA C 60.000 . . 1193 133 133 ILE CB C 42.020 . . 1194 133 133 ILE CG1 C 26.410 . . 1195 133 133 ILE CG2 C 17.712 . . 1196 133 133 ILE CD1 C 13.500 . . 1197 133 133 ILE N N 120.670 . . 1198 134 134 ALA H H 8.490 . . 1199 134 134 ALA HA H 3.953 . . 1200 134 134 ALA HB H 1.300 . . 1201 134 134 ALA C C 178.387 . . 1202 134 134 ALA CA C 53.050 . . 1203 134 134 ALA CB C 16.982 . . 1204 134 134 ALA N N 122.454 . . 1205 135 135 ASP H H 8.620 . . 1206 135 135 ASP HA H 4.244 . . 1207 135 135 ASP HB2 H 2.896 . . 1208 135 135 ASP HB3 H 2.653 . . 1209 135 135 ASP C C 176.390 . . 1210 135 135 ASP CA C 55.120 . . 1211 135 135 ASP CB C 39.865 . . 1212 135 135 ASP N N 117.310 . . 1213 136 136 GLY H H 7.592 . . 1214 136 136 GLY HA2 H 4.254 . . 1215 136 136 GLY HA3 H 3.351 . . 1216 136 136 GLY C C 174.940 . . 1217 136 136 GLY CA C 45.150 . . 1218 136 136 GLY N N 104.336 . . 1219 137 137 GLN H H 7.843 . . 1220 137 137 GLN HA H 4.062 . . 1221 137 137 GLN HB2 H 2.248 . . 1222 137 137 GLN HB3 H 2.140 . . 1223 137 137 GLN HG2 H 2.498 . . 1224 137 137 GLN HG3 H 2.314 . . 1225 137 137 GLN HE21 H 7.825 . . 1226 137 137 GLN HE22 H 7.745 . . 1227 137 137 GLN C C 176.420 . . 1228 137 137 GLN CA C 57.760 . . 1229 137 137 GLN CB C 30.400 . . 1230 137 137 GLN CG C 34.480 . . 1231 137 137 GLN N N 118.675 . . 1232 137 137 GLN NE2 N 110.470 . . 1233 138 138 LEU H H 7.356 . . 1234 138 138 LEU HA H 4.961 . . 1235 138 138 LEU HB2 H 1.300 . . 1236 138 138 LEU HB3 H 1.224 . . 1237 138 138 LEU HG H 0.840 . . 1238 138 138 LEU HD1 H 0.768 . . 1239 138 138 LEU C C 175.700 . . 1240 138 138 LEU CA C 53.705 . . 1241 138 138 LEU CB C 46.480 . . 1242 138 138 LEU CG C 25.900 . . 1243 138 138 LEU CD1 C 22.811 . . 1244 138 138 LEU N N 118.160 . . 1245 139 139 PHE H H 10.026 . . 1246 139 139 PHE HA H 5.344 . . 1247 139 139 PHE HB2 H 3.510 . . 1248 139 139 PHE HB3 H 3.020 . . 1249 139 139 PHE C C 178.850 . . 1250 139 139 PHE CA C 56.670 . . 1251 139 139 PHE CB C 43.652 . . 1252 139 139 PHE N N 119.060 . . 1253 140 140 VAL H H 7.550 . . 1254 140 140 VAL HA H 3.500 . . 1255 140 140 VAL HB H 1.800 . . 1256 140 140 VAL HG1 H 0.377 . . 1257 140 140 VAL HG2 H -0.217 . . 1258 140 140 VAL C C 172.860 . . 1259 140 140 VAL CA C 61.812 . . 1260 140 140 VAL CB C 30.250 . . 1261 140 140 VAL CG1 C 17.672 . . 1262 140 140 VAL CG2 C 20.944 . . 1263 140 140 VAL N N 109.905 . . 1264 141 141 GLY H H 7.052 . . 1265 141 141 GLY HA2 H 4.634 . . 1266 141 141 GLY HA3 H 3.908 . . 1267 141 141 GLY C C 171.350 . . 1268 141 141 GLY CA C 45.460 . . 1269 141 141 GLY N N 106.600 . . 1270 142 142 LEU H H 7.643 . . 1271 142 142 LEU HA H 4.962 . . 1272 142 142 LEU HB2 H 0.080 . . 1273 142 142 LEU HB3 H -1.635 . . 1274 142 142 LEU HG H 0.425 . . 1275 142 142 LEU HD1 H -0.888 . . 1276 142 142 LEU HD2 H -0.261 . . 1277 142 142 LEU CA C 55.600 . . 1278 142 142 LEU CB C 37.930 . . 1279 142 142 LEU CG C 25.692 . . 1280 142 142 LEU CD1 C 20.176 . . 1281 142 142 LEU CD2 C 24.660 . . 1282 142 142 LEU N N 117.820 . . 1283 143 143 ALA HA H 4.220 . . 1284 143 143 ALA HB H 0.216 . . 1285 143 143 ALA C C 175.505 . . 1286 143 143 ALA CA C 49.600 . . 1287 143 143 ALA CB C 23.330 . . 1288 144 144 LEU H H 8.583 . . 1289 144 144 LEU HA H 4.780 . . 1290 144 144 LEU HB2 H 1.952 . . 1291 144 144 LEU HB3 H 1.236 . . 1292 144 144 LEU HG H 0.635 . . 1293 144 144 LEU HD1 H 0.815 . . 1294 144 144 LEU HD2 H 0.635 . . 1295 144 144 LEU C C 174.700 . . 1296 144 144 LEU CA C 52.790 . . 1297 144 144 LEU CB C 45.300 . . 1298 144 144 LEU CG C 25.380 . . 1299 144 144 LEU CD1 C 22.810 . . 1300 144 144 LEU N N 124.960 . . 1301 145 145 ASP H H 8.232 . . 1302 145 145 ASP HA H 5.422 . . 1303 145 145 ASP HB2 H 2.805 . . 1304 145 145 ASP C C 176.180 . . 1305 145 145 ASP CA C 53.600 . . 1306 145 145 ASP CB C 43.180 . . 1307 145 145 ASP N N 119.100 . . 1308 147 147 THR H H 8.745 . . 1309 147 147 THR HA H 4.093 . . 1310 147 147 THR HB H 4.345 . . 1311 147 147 THR HG2 H 1.292 . . 1312 147 147 THR C C 175.858 . . 1313 147 147 THR CA C 66.400 . . 1314 147 147 THR CB C 69.400 . . 1315 147 147 THR CG2 C 21.200 . . 1316 148 148 ASN H H 8.975 . . 1317 148 148 ASN HA H 5.010 . . 1318 148 148 ASN HB2 H 2.870 . . 1319 148 148 ASN HB3 H 2.390 . . 1320 148 148 ASN HD21 H 8.220 . . 1321 148 148 ASN HD22 H 10.000 . . 1322 148 148 ASN C C 175.750 . . 1323 148 148 ASN CA C 53.400 . . 1324 148 148 ASN CB C 41.900 . . 1325 148 148 ASN N N 115.408 . . 1326 148 148 ASN ND2 N 124.500 . . 1327 149 149 GLN H H 7.430 . . 1328 149 149 GLN HA H 4.936 . . 1329 149 149 GLN HB2 H 2.070 . . 1330 149 149 GLN HB3 H 2.215 . . 1331 149 149 GLN HG2 H 2.463 . . 1332 149 149 GLN HG3 H 1.885 . . 1333 149 149 GLN HE21 H 6.808 . . 1334 149 149 GLN HE22 H 7.787 . . 1335 149 149 GLN C C 178.280 . . 1336 149 149 GLN CA C 53.730 . . 1337 149 149 GLN CB C 29.790 . . 1338 149 149 GLN CG C 33.650 . . 1339 149 149 GLN N N 117.900 . . 1340 149 149 GLN NE2 N 115.600 . . 1341 150 150 TYR H H 8.115 . . 1342 150 150 TYR HA H 4.671 . . 1343 150 150 TYR HB2 H 2.715 . . 1344 150 150 TYR HB3 H 2.748 . . 1345 150 150 TYR C C 178.680 . . 1346 150 150 TYR CA C 57.930 . . 1347 150 150 TYR CB C 38.860 . . 1348 150 150 TYR N N 121.060 . . 1349 151 151 ASP H H 8.282 . . 1350 151 151 ASP CA C 57.000 . . 1351 151 151 ASP CB C 42.000 . . 1352 151 151 ASP N N 121.175 . . 1353 152 152 LEU HA H 4.590 . . 1354 152 152 LEU HB2 H 1.617 . . 1355 152 152 LEU HG H 0.782 . . 1356 152 152 LEU HD1 H 0.773 . . 1357 152 152 LEU C C 178.300 . . 1358 152 152 LEU CA C 54.788 . . 1359 152 152 LEU CB C 42.200 . . 1360 152 152 LEU CG C 25.570 . . 1361 152 152 LEU CD1 C 22.580 . . 1362 153 153 SER H H 7.378 . . 1363 153 153 SER HA H 3.911 . . 1364 153 153 SER HB2 H 3.783 . . 1365 153 153 SER CA C 63.400 . . 1366 153 153 SER CB C 63.200 . . 1367 153 153 SER N N 116.170 . . 1368 154 154 ASP H H 8.745 . . 1369 154 154 ASP HA H 4.240 . . 1370 154 154 ASP HB2 H 2.660 . . 1371 154 154 ASP HB3 H 2.615 . . 1372 154 154 ASP CA C 59.300 . . 1373 154 154 ASP CB C 40.000 . . 1374 154 154 ASP N N 121.640 . . 1375 155 155 GLU H H 8.645 . . 1376 155 155 GLU HA H 4.170 . . 1377 155 155 GLU HB2 H 2.164 . . 1378 155 155 GLU HB3 H 2.630 . . 1379 155 155 GLU HG2 H 2.370 . . 1380 155 155 GLU HG3 H 2.486 . . 1381 155 155 GLU C C 179.420 . . 1382 155 155 GLU CA C 59.200 . . 1383 155 155 GLU CB C 29.480 . . 1384 155 155 GLU CG C 36.600 . . 1385 156 156 ARG H H 8.045 . . 1386 156 156 ARG HA H 4.276 . . 1387 156 156 ARG HB2 H 1.670 . . 1388 156 156 ARG HB3 H 1.886 . . 1389 156 156 ARG HD2 H 3.300 . . 1390 156 156 ARG C C 177.350 . . 1391 156 156 ARG CA C 59.950 . . 1392 156 156 ARG CB C 31.100 . . 1393 156 156 ARG CG C 29.160 . . 1394 156 156 ARG N N 121.230 . . 1395 157 157 ILE H H 8.705 . . 1396 157 157 ILE HA H 3.430 . . 1397 157 157 ILE HB H 1.814 . . 1398 157 157 ILE HG12 H 0.373 . . 1399 157 157 ILE HG13 H 1.870 . . 1400 157 157 ILE HG2 H 0.704 . . 1401 157 157 ILE HD1 H 0.735 . . 1402 157 157 ILE C C 178.480 . . 1403 157 157 ILE CA C 66.560 . . 1404 157 157 ILE CB C 38.480 . . 1405 157 157 ILE CG1 C 31.240 . . 1406 157 157 ILE CG2 C 18.850 . . 1407 157 157 ILE CD1 C 14.200 . . 1408 157 157 ILE N N 118.190 . . 1409 158 158 GLN H H 8.262 . . 1410 158 158 GLN HA H 3.956 . . 1411 158 158 GLN HB2 H 2.260 . . 1412 158 158 GLN HG2 H 2.445 . . 1413 158 158 GLN HE21 H 6.788 . . 1414 158 158 GLN HE22 H 7.782 . . 1415 158 158 GLN C C 178.730 . . 1416 158 158 GLN CA C 60.700 . . 1417 158 158 GLN CB C 28.482 . . 1418 158 158 GLN CG C 33.730 . . 1419 158 158 GLN N N 119.975 . . 1420 158 158 GLN NE2 N 113.030 . . 1421 159 159 SER H H 8.440 . . 1422 159 159 SER HA H 4.446 . . 1423 159 159 SER HB2 H 4.460 . . 1424 159 159 SER HB3 H 4.420 . . 1425 159 159 SER C C 177.320 . . 1426 159 159 SER CA C 63.500 . . 1427 159 159 SER CB C 63.818 . . 1428 159 159 SER N N 115.466 . . 1429 160 160 TRP H H 9.243 . . 1430 160 160 TRP HA H 4.454 . . 1431 160 160 TRP HB2 H 3.075 . . 1432 160 160 TRP HB3 H 2.748 . . 1433 160 160 TRP C C 177.934 . . 1434 160 160 TRP CA C 62.745 . . 1435 160 160 TRP CB C 29.350 . . 1436 160 160 TRP N N 126.784 . . 1437 161 161 CYS H H 8.845 . . 1438 161 161 CYS HA H 3.886 . . 1439 161 161 CYS HB2 H 3.178 . . 1440 161 161 CYS HB3 H 2.355 . . 1441 161 161 CYS C C 176.245 . . 1442 161 161 CYS CA C 65.300 . . 1443 161 161 CYS CB C 27.723 . . 1444 161 161 CYS N N 116.395 . . 1445 162 162 GLU H H 7.512 . . 1446 162 162 GLU HA H 3.920 . . 1447 162 162 GLU HB2 H 2.186 . . 1448 162 162 GLU HG2 H 2.510 . . 1449 162 162 GLU HG3 H 2.260 . . 1450 162 162 GLU C C 178.700 . . 1451 162 162 GLU CA C 59.800 . . 1452 162 162 GLU CB C 29.500 . . 1453 162 162 GLU CG C 36.330 . . 1454 162 162 GLU N N 118.030 . . 1455 163 163 GLN H H 8.148 . . 1456 163 163 GLN HA H 4.173 . . 1457 163 163 GLN HB2 H 2.520 . . 1458 163 163 GLN HB3 H 2.437 . . 1459 163 163 GLN HG2 H 2.500 . . 1460 163 163 GLN HE21 H 7.756 . . 1461 163 163 GLN HE22 H 7.834 . . 1462 163 163 GLN C C 179.700 . . 1463 163 163 GLN CA C 59.688 . . 1464 163 163 GLN CB C 28.900 . . 1465 163 163 GLN CG C 32.582 . . 1466 163 163 GLN N N 120.650 . . 1467 163 163 GLN NE2 N 110.630 . . 1468 164 164 ILE H H 8.958 . . 1469 164 164 ILE HA H 4.060 . . 1470 164 164 ILE HB H 1.393 . . 1471 164 164 ILE HG12 H 1.170 . . 1472 164 164 ILE HG13 H 0.978 . . 1473 164 164 ILE HG2 H -0.031 . . 1474 164 164 ILE HD1 H -0.166 . . 1475 164 164 ILE C C 178.676 . . 1476 164 164 ILE CA C 66.160 . . 1477 164 164 ILE CB C 37.630 . . 1478 164 164 ILE CG1 C 25.237 . . 1479 164 164 ILE CG2 C 17.300 . . 1480 164 164 ILE CD1 C 12.500 . . 1481 164 164 ILE N N 114.836 . . 1482 165 165 LEU H H 7.830 . . 1483 165 165 LEU HA H 4.100 . . 1484 165 165 LEU HB2 H 1.926 . . 1485 165 165 LEU HB3 H 1.400 . . 1486 165 165 LEU HG H 1.815 . . 1487 165 165 LEU HD1 H 0.844 . . 1488 165 165 LEU HD2 H 0.848 . . 1489 165 165 LEU C C 180.548 . . 1490 165 165 LEU CA C 58.150 . . 1491 165 165 LEU CB C 41.130 . . 1492 165 165 LEU CG C 27.300 . . 1493 165 165 LEU CD1 C 22.300 . . 1494 165 165 LEU CD2 C 25.700 . . 1495 165 165 LEU N N 123.700 . . 1496 166 166 ASN H H 7.706 . . 1497 166 166 ASN HA H 4.570 . . 1498 166 166 ASN HB2 H 3.068 . . 1499 166 166 ASN HB3 H 2.902 . . 1500 166 166 ASN HD21 H 7.020 . . 1501 166 166 ASN HD22 H 7.636 . . 1502 166 166 ASN C C 175.690 . . 1503 166 166 ASN CA C 55.946 . . 1504 166 166 ASN CB C 38.480 . . 1505 166 166 ASN N N 120.160 . . 1506 166 166 ASN ND2 N 114.100 . . 1507 167 167 GLU H H 8.868 . . 1508 167 167 GLU HA H 4.104 . . 1509 167 167 GLU HB2 H 2.206 . . 1510 167 167 GLU HB3 H 2.092 . . 1511 167 167 GLU HG2 H 2.757 . . 1512 167 167 GLU HG3 H 2.220 . . 1513 167 167 GLU C C 180.520 . . 1514 167 167 GLU CA C 59.920 . . 1515 167 167 GLU CB C 30.925 . . 1516 167 167 GLU CG C 38.390 . . 1517 167 167 GLU N N 121.286 . . 1518 168 168 MET H H 8.723 . . 1519 168 168 MET HA H 3.996 . . 1520 168 168 MET HB2 H 2.262 . . 1521 168 168 MET HB3 H 2.026 . . 1522 168 168 MET HG2 H 2.743 . . 1523 168 168 MET HG3 H 2.673 . . 1524 168 168 MET C C 176.856 . . 1525 168 168 MET CA C 59.500 . . 1526 168 168 MET CB C 33.700 . . 1527 168 168 MET CG C 32.836 . . 1528 168 168 MET N N 118.622 . . 1529 169 169 ALA H H 7.494 . . 1530 169 169 ALA HA H 4.156 . . 1531 169 169 ALA HB H 1.558 . . 1532 169 169 ALA C C 179.790 . . 1533 169 169 ALA CA C 54.800 . . 1534 169 169 ALA CB C 18.220 . . 1535 169 169 ALA N N 121.760 . . 1536 170 170 GLU H H 7.683 . . 1537 170 170 GLU HA H 4.091 . . 1538 170 170 GLU HB2 H 1.950 . . 1539 170 170 GLU HG2 H 2.149 . . 1540 170 170 GLU HG3 H 2.300 . . 1541 170 170 GLU C C 177.745 . . 1542 170 170 GLU CA C 58.000 . . 1543 170 170 GLU CB C 29.730 . . 1544 170 170 GLU CG C 36.308 . . 1545 170 170 GLU N N 116.970 . . 1546 171 171 HIS H H 7.717 . . 1547 171 171 HIS HA H 4.470 . . 1548 171 171 HIS HB2 H 2.958 . . 1549 171 171 HIS HB3 H 2.863 . . 1550 171 171 HIS C C 175.848 . . 1551 171 171 HIS CA C 57.600 . . 1552 171 171 HIS CB C 30.800 . . 1553 171 171 HIS N N 118.150 . . 1554 172 172 TYR H H 7.778 . . 1555 172 172 TYR HA H 4.591 . . 1556 172 172 TYR HB2 H 3.247 . . 1557 172 172 TYR HB3 H 2.815 . . 1558 172 172 TYR C C 174.590 . . 1559 172 172 TYR CA C 57.813 . . 1560 172 172 TYR CB C 38.900 . . 1561 172 172 TYR N N 119.483 . . 1562 173 173 ALA H H 7.509 . . 1563 173 173 ALA HA H 4.090 . . 1564 173 173 ALA HB H 1.378 . . 1565 173 173 ALA C C 182.530 . . 1566 173 173 ALA CA C 54.380 . . 1567 173 173 ALA CB C 19.700 . . 1568 173 173 ALA N N 130.607 . . stop_ save_