data_15093 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; preB ApoAI backbone assignment ; _BMRB_accession_number 15093 _BMRB_flat_file_name bmr15093.str _Entry_type original _Submission_date 2007-01-04 _Accession_date 2007-01-04 _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 Ren Xuefeng . . 2 Yang Yunhuang . . 3 Wang Jianjun . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 212 "13C chemical shifts" 458 "15N chemical shifts" 211 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2009-08-31 update BMRB 'complete entry citation' 2007-06-26 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'A complete backbone spectral assignment of human apolipoprotein AI on a 38 kDa prebetaHDL (Lp1-AI) particle' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 19636829 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Ren Xuefeng . . 2 Yang Yunhuang . . 3 Tracey Neville . . 4 Hoyt David . . 5 Sparks Daniel . . 6 Wang Jianjun . . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_volume 1 _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 71 _Year 2007 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name preB_ApoAI _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label preB_ApoAI $preB_ApoAI stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic ? _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_preB_ApoAI _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common preB_ApoAI _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 243 _Mol_residue_sequence ; DEPPQSPWDRVKDLATVYVD VLKDSGRDYVSQFEGSALGK QLNLKLLDNWDSVTSTFSKL REQLGPVTQEFWDNLEKETE GLRQEMSKDLEEVKAKVQPY LDDFQKKWQEEMELYRQKVE PLRAELQEGARQKLHELQEK LSPLGEEMRDRARAHVDALR THLAPYSDELRQRLAARLEA LKENGGARLAEYHAKATEHL STLSEKAKPALEDLRQGLLP VLESFKVSFLSALEEYTKKL NTQ ; loop_ _Residue_seq_code _Residue_label 1 ASP 2 GLU 3 PRO 4 PRO 5 GLN 6 SER 7 PRO 8 TRP 9 ASP 10 ARG 11 VAL 12 LYS 13 ASP 14 LEU 15 ALA 16 THR 17 VAL 18 TYR 19 VAL 20 ASP 21 VAL 22 LEU 23 LYS 24 ASP 25 SER 26 GLY 27 ARG 28 ASP 29 TYR 30 VAL 31 SER 32 GLN 33 PHE 34 GLU 35 GLY 36 SER 37 ALA 38 LEU 39 GLY 40 LYS 41 GLN 42 LEU 43 ASN 44 LEU 45 LYS 46 LEU 47 LEU 48 ASP 49 ASN 50 TRP 51 ASP 52 SER 53 VAL 54 THR 55 SER 56 THR 57 PHE 58 SER 59 LYS 60 LEU 61 ARG 62 GLU 63 GLN 64 LEU 65 GLY 66 PRO 67 VAL 68 THR 69 GLN 70 GLU 71 PHE 72 TRP 73 ASP 74 ASN 75 LEU 76 GLU 77 LYS 78 GLU 79 THR 80 GLU 81 GLY 82 LEU 83 ARG 84 GLN 85 GLU 86 MET 87 SER 88 LYS 89 ASP 90 LEU 91 GLU 92 GLU 93 VAL 94 LYS 95 ALA 96 LYS 97 VAL 98 GLN 99 PRO 100 TYR 101 LEU 102 ASP 103 ASP 104 PHE 105 GLN 106 LYS 107 LYS 108 TRP 109 GLN 110 GLU 111 GLU 112 MET 113 GLU 114 LEU 115 TYR 116 ARG 117 GLN 118 LYS 119 VAL 120 GLU 121 PRO 122 LEU 123 ARG 124 ALA 125 GLU 126 LEU 127 GLN 128 GLU 129 GLY 130 ALA 131 ARG 132 GLN 133 LYS 134 LEU 135 HIS 136 GLU 137 LEU 138 GLN 139 GLU 140 LYS 141 LEU 142 SER 143 PRO 144 LEU 145 GLY 146 GLU 147 GLU 148 MET 149 ARG 150 ASP 151 ARG 152 ALA 153 ARG 154 ALA 155 HIS 156 VAL 157 ASP 158 ALA 159 LEU 160 ARG 161 THR 162 HIS 163 LEU 164 ALA 165 PRO 166 TYR 167 SER 168 ASP 169 GLU 170 LEU 171 ARG 172 GLN 173 ARG 174 LEU 175 ALA 176 ALA 177 ARG 178 LEU 179 GLU 180 ALA 181 LEU 182 LYS 183 GLU 184 ASN 185 GLY 186 GLY 187 ALA 188 ARG 189 LEU 190 ALA 191 GLU 192 TYR 193 HIS 194 ALA 195 LYS 196 ALA 197 THR 198 GLU 199 HIS 200 LEU 201 SER 202 THR 203 LEU 204 SER 205 GLU 206 LYS 207 ALA 208 LYS 209 PRO 210 ALA 211 LEU 212 GLU 213 ASP 214 LEU 215 ARG 216 GLN 217 GLY 218 LEU 219 LEU 220 PRO 221 VAL 222 LEU 223 GLU 224 SER 225 PHE 226 LYS 227 VAL 228 SER 229 PHE 230 LEU 231 SER 232 ALA 233 LEU 234 GLU 235 GLU 236 TYR 237 THR 238 LYS 239 LYS 240 LEU 241 ASN 242 THR 243 GLN stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-08-26 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 1AV1 "Crystal Structure Of Human Apolipoprotein A-I" 82.30 201 100.00 100.00 1.65e-137 PDB 2A01 "Crystal Structure Of Lipid-Free Human Apolipoprotein A-I" 100.00 243 100.00 100.00 4.50e-172 PDB 2MSC "Nmr Data-driven Model Of Gtpase Kras-gdp Tethered To A Lipid-bilayer Nanodisc" 81.48 200 100.00 100.00 1.95e-135 PDB 2MSD "Nmr Data-driven Model Of Gtpase Kras-gnp Tethered To A Lipid-bilayer Nanodisc" 81.48 200 100.00 100.00 1.95e-135 PDB 2MSE "Nmr Data-driven Model Of Gtpase Kras-gnp:arafrbd Complex Tethered To A Lipid-bilayer Nanodisc" 81.48 200 100.00 100.00 1.95e-135 PDB 3J00 "Structure Of The Ribosome-secye Complex In The Membrane Environment" 82.30 200 100.00 100.00 1.78e-137 PDB 3K2S "Solution Structure Of Double Super Helix Model" 100.00 243 100.00 100.00 4.50e-172 PDB 3R2P "2.2 Angstrom Crystal Structure Of C Terminal Truncated Human Apolipoprotein A-I Reveals The Assembly Of Hdl By Dimerization" 75.72 185 100.00 100.00 2.08e-127 DBJ BAF84920 "unnamed protein product [Homo sapiens]" 100.00 267 100.00 100.00 6.26e-172 DBJ BAI46675 "apolipoprotein A-I [synthetic construct]" 100.00 267 100.00 100.00 6.26e-172 EMBL CAA25232 "unnamed protein product [Homo sapiens]" 100.00 267 100.00 100.00 6.26e-172 EMBL CAA25519 "apolipoprotein AI precursor [Homo sapiens]" 100.00 267 100.00 100.00 6.26e-172 EMBL CAA26097 "preproapolipoprotein AI [Homo sapiens]" 100.00 267 100.00 100.00 6.26e-172 EMBL CAA30377 "ApoA-I [Homo sapiens]" 100.00 267 100.00 100.00 6.26e-172 GB AAA35545 "proapo-A-I protein [Homo sapiens]" 100.00 267 99.59 100.00 2.57e-171 GB AAA51747 "proapolipoprotein, partial [Homo sapiens]" 100.00 249 100.00 100.00 1.20e-171 GB AAA62829 "proapolipoprotein [Homo sapiens]" 100.00 267 100.00 100.00 6.26e-172 GB AAB59514 "preproapolipoprotein A-I [Homo sapiens]" 100.00 267 100.00 100.00 6.26e-172 GB AAH05380 "Apolipoprotein A-I [Homo sapiens]" 100.00 267 100.00 100.00 6.26e-172 REF NP_000030 "apolipoprotein A-I preproprotein [Homo sapiens]" 100.00 267 100.00 100.00 6.26e-172 REF XP_001153383 "PREDICTED: apolipoprotein A-I [Pan troglodytes]" 100.00 267 100.00 100.00 6.26e-172 REF XP_001153517 "PREDICTED: apolipoprotein A-I [Pan troglodytes]" 100.00 267 100.00 100.00 6.26e-172 REF XP_003253233 "PREDICTED: apolipoprotein A-I [Nomascus leucogenys]" 100.00 267 97.12 97.94 4.84e-167 REF XP_003253235 "PREDICTED: apolipoprotein A-I [Nomascus leucogenys]" 100.00 267 97.12 97.94 4.84e-167 SP G3QY98 "RecName: Full=Apolipoprotein A-I; Short=Apo-AI; Short=ApoA-I; AltName: Full=Apolipoprotein A1; Contains: RecName: Full=Proapoli" 100.00 267 100.00 100.00 6.26e-172 SP P02647 "RecName: Full=Apolipoprotein A-I; Short=Apo-AI; Short=ApoA-I; AltName: Full=Apolipoprotein A1; Contains: RecName: Full=Proapoli" 100.00 267 100.00 100.00 6.26e-172 SP P0DJG0 "RecName: Full=Apolipoprotein A-I; Short=Apo-AI; Short=ApoA-I; AltName: Full=Apolipoprotein A1; Contains: RecName: Full=Proapoli" 100.00 267 100.00 100.00 6.26e-172 SP P0DJG1 "RecName: Full=Apolipoprotein A-I; Short=Apo-AI; Short=ApoA-I; AltName: Full=Apolipoprotein A1; Contains: RecName: Full=Proapoli" 100.00 267 97.94 99.59 1.97e-169 SP P0DM91 "RecName: Full=Apolipoprotein A-I; Short=Apo-AI; Short=ApoA-I; AltName: Full=Apolipoprotein A1; Contains: RecName: Full=Proapoli" 100.00 267 99.59 99.59 2.46e-171 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $preB_ApoAI '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 $preB_ApoAI 'recombinant technology' . Escherichia coli . pET-30(+)a 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 $preB_ApoAI 1 mM '[U-13C; U-15N; U-2H]' DSS 0.1 mM 'natural abundance' 'sodium azide' 1 mM 'natural abundance' D2O 5 % 'natural abundance' DTT 95 % 'natural abundance' 'sodium phosphate' 25 mM 'natural abundance' 'sodium chloride' 25 mM 'natural abundance' EDTA 10 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model Unity _Field_strength 500 _Details . save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model UnityPlus _Field_strength 900 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_HNCA_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HNCOCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCOCACB' _Sample_label $sample_1 save_ save_3D_15N-NOESY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-NOESY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.08 0.0005 M pH 6.8 0.05 pH pressure 1 . atm temperature 303 0.1 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 _Indirect_shift_ratio_citation_label _Correction_value_citation_label DSS C 13 'methyl protons' ppm 0.00 . indirect . . . 0.251449530 $entry_citation $entry_citation DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 $entry_citation $entry_citation DSS N 15 'methyl protons' ppm 0.00 . indirect . . . 0.101329118 $entry_citation $entry_citation DSS P 31 'methyl protons' ppm 0.00 . indirect . . . 0.404808636 $entry_citation $entry_citation 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 HNCA' '3D HN(CO)CA' '3D HNCACB' '3D HNCOCACB' '3D 15N-NOESY' 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 preB_ApoAI _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 ASP H H 8.309 0.05 1 2 1 1 ASP CA C 53.745 0.2 1 3 1 1 ASP CB C 40.475 0.2 1 4 1 1 ASP N N 122.173 0.2 1 5 2 2 GLU H H 8.088 0.05 1 6 2 2 GLU CA C 53.630 0.2 1 7 2 2 GLU CB C 29.000 0.2 1 8 2 2 GLU N N 122.858 0.2 1 9 4 4 PRO CA C 62.515 0.2 1 10 4 4 PRO CB C 30.870 0.2 1 11 5 5 GLN H H 8.435 0.05 1 12 5 5 GLN CA C 55.290 0.2 1 13 5 5 GLN CB C 28.755 0.2 1 14 5 5 GLN N N 121.567 0.2 1 15 6 6 SER H H 8.298 0.05 1 16 6 6 SER CA C 55.010 0.2 1 17 6 6 SER CB C 63.570 0.2 1 18 6 6 SER N N 118.284 0.2 1 19 7 7 PRO CA C 63.895 0.2 1 20 7 7 PRO CB C 28.310 0.2 1 21 8 8 TRP H H 7.511 0.05 1 22 8 8 TRP CA C 59.380 0.2 1 23 8 8 TRP CB C 28.550 0.2 1 24 8 8 TRP N N 116.230 0.2 1 25 9 9 ASP H H 8.138 0.05 1 26 9 9 ASP CA C 57.157 0.2 1 27 9 9 ASP CB C 38.775 0.2 1 28 9 9 ASP N N 123.050 0.2 1 29 10 10 ARG H H 7.767 0.05 1 30 10 10 ARG CA C 58.305 0.2 1 31 10 10 ARG CB C 29.660 0.2 1 32 10 10 ARG N N 118.559 0.2 1 33 11 11 VAL H H 7.276 0.05 1 34 11 11 VAL CA C 65.560 0.2 1 35 11 11 VAL CB C 31.525 0.2 1 36 11 11 VAL N N 119.585 0.2 1 37 12 12 LYS H H 8.112 0.05 1 38 12 12 LYS CA C 60.060 0.2 1 39 12 12 LYS CB C 31.715 0.2 1 40 12 12 LYS N N 122.918 0.2 1 41 13 13 ASP H H 8.001 0.05 1 42 13 13 ASP CA C 57.280 0.2 1 43 13 13 ASP CB C 40.190 0.2 1 44 13 13 ASP N N 119.203 0.2 1 45 14 14 LEU H H 7.269 0.05 1 46 14 14 LEU CA C 57.437 0.2 1 47 14 14 LEU CB C 41.720 0.2 1 48 14 14 LEU N N 118.356 0.2 1 49 15 15 ALA H H 8.111 0.05 1 50 15 15 ALA CA C 54.443 0.2 1 51 15 15 ALA CB C 16.870 0.2 1 52 15 15 ALA N N 120.172 0.2 1 53 16 16 THR H H 8.602 0.05 1 54 16 16 THR CA C 66.515 0.2 1 55 16 16 THR CB C 68.670 0.2 1 56 16 16 THR N N 117.712 0.2 1 57 17 17 VAL H H 7.771 0.05 1 58 17 17 VAL CA C 64.705 0.2 1 59 17 17 VAL CB C 31.845 0.2 1 60 17 17 VAL N N 118.550 0.2 1 61 18 18 TYR H H 7.649 0.05 1 62 18 18 TYR CA C 58.435 0.2 1 63 18 18 TYR CB C 39.040 0.2 1 64 18 18 TYR N N 111.639 0.2 1 65 19 19 VAL H H 7.156 0.05 1 66 19 19 VAL CA C 63.075 0.2 1 67 19 19 VAL CB C 32.220 0.2 1 68 19 19 VAL N N 112.139 0.2 1 69 20 20 ASP H H 8.674 0.05 1 70 20 20 ASP CA C 57.075 0.2 1 71 20 20 ASP CB C 39.290 0.2 1 72 20 20 ASP N N 122.660 0.2 1 73 21 21 VAL H H 6.621 0.05 1 74 21 21 VAL CA C 62.825 0.2 1 75 21 21 VAL CB C 30.850 0.2 1 76 21 21 VAL N N 116.116 0.2 1 77 22 22 LEU H H 7.132 0.05 1 78 22 22 LEU CA C 57.490 0.2 1 79 22 22 LEU CB C 40.790 0.2 1 80 22 22 LEU N N 123.593 0.2 1 81 23 23 LYS H H 8.204 0.05 1 82 23 23 LYS CA C 59.453 0.2 1 83 23 23 LYS CB C 30.880 0.2 1 84 23 23 LYS N N 121.286 0.2 1 85 24 24 ASP H H 8.326 0.05 1 86 24 24 ASP CA C 56.985 0.2 1 87 24 24 ASP CB C 39.115 0.2 1 88 24 24 ASP N N 121.857 0.2 1 89 25 25 SER H H 8.148 0.05 1 90 25 25 SER CA C 61.360 0.2 1 91 25 25 SER CB C 62.290 0.2 1 92 25 25 SER N N 118.519 0.2 1 93 26 26 GLY H H 7.877 0.05 1 94 26 26 GLY CA C 47.110 0.2 1 95 26 26 GLY N N 108.516 0.2 1 96 27 27 ARG H H 8.252 0.05 1 97 27 27 ARG CA C 58.805 0.2 1 98 27 27 ARG CB C 28.780 0.2 1 99 27 27 ARG N N 123.917 0.2 1 100 28 28 ASP H H 7.831 0.05 1 101 28 28 ASP CA C 56.910 0.2 1 102 28 28 ASP CB C 39.570 0.2 1 103 28 28 ASP N N 120.102 0.2 1 104 29 29 TYR H H 7.817 0.05 1 105 29 29 TYR CA C 62.030 0.2 1 106 29 29 TYR CB C 36.885 0.2 1 107 29 29 TYR N N 120.912 0.2 1 108 30 30 VAL H H 8.119 0.05 1 109 30 30 VAL CA C 66.510 0.2 1 110 30 30 VAL CB C 30.340 0.2 1 111 30 30 VAL N N 122.491 0.2 1 112 31 31 SER H H 8.845 0.05 1 113 31 31 SER CA C 61.300 0.2 1 114 31 31 SER CB C 62.400 0.2 1 115 31 31 SER N N 117.444 0.2 1 116 32 32 GLN H H 7.524 0.05 1 117 32 32 GLN CA C 57.817 0.2 1 118 32 32 GLN CB C 27.595 0.2 1 119 32 32 GLN N N 121.198 0.2 1 120 33 33 PHE H H 6.880 0.05 1 121 33 33 PHE CA C 56.340 0.2 1 122 33 33 PHE CB C 36.480 0.2 1 123 33 33 PHE N N 119.801 0.2 1 124 34 34 GLU H H 8.220 0.05 1 125 34 34 GLU CA C 55.297 0.2 1 126 34 34 GLU CB C 28.827 0.2 1 127 34 34 GLU N N 121.614 0.2 1 128 35 35 GLY H H 7.904 0.05 1 129 35 35 GLY CA C 45.540 0.2 1 130 35 35 GLY N N 117.264 0.2 1 131 36 36 SER H H 7.068 0.05 1 132 36 36 SER CA C 57.910 0.2 1 133 36 36 SER CB C 65.270 0.2 1 134 36 36 SER N N 117.173 0.2 1 135 37 37 ALA CA C 55.390 0.2 1 136 37 37 ALA CB C 17.030 0.2 1 137 38 38 LEU H H 7.928 0.05 1 138 38 38 LEU CA C 56.635 0.2 1 139 38 38 LEU CB C 41.213 0.2 1 140 38 38 LEU N N 117.645 0.2 1 141 39 39 GLY H H 7.694 0.05 1 142 39 39 GLY CA C 46.510 0.2 1 143 39 39 GLY N N 109.337 0.2 1 144 40 40 LYS H H 8.429 0.05 1 145 40 40 LYS CA C 58.010 0.2 1 146 40 40 LYS CB C 30.955 0.2 1 147 40 40 LYS N N 120.460 0.2 1 148 41 41 GLN H H 7.688 0.05 1 149 41 41 GLN CA C 58.085 0.2 1 150 41 41 GLN CB C 27.610 0.2 1 151 41 41 GLN N N 120.290 0.2 1 152 42 42 LEU H H 7.698 0.05 1 153 42 42 LEU CA C 54.270 0.2 1 154 42 42 LEU CB C 41.360 0.2 1 155 42 42 LEU N N 116.866 0.2 1 156 43 43 ASN H H 7.782 0.05 1 157 43 43 ASN CA C 53.115 0.2 1 158 43 43 ASN CB C 36.330 0.2 1 159 43 43 ASN N N 118.803 0.2 1 160 44 44 LEU H H 8.108 0.05 1 161 44 44 LEU CA C 55.190 0.2 1 162 44 44 LEU CB C 41.015 0.2 1 163 44 44 LEU N N 117.261 0.2 1 164 45 45 LYS H H 8.329 0.05 1 165 45 45 LYS CA C 54.755 0.2 1 166 45 45 LYS CB C 30.737 0.2 1 167 45 45 LYS N N 124.276 0.2 1 168 46 46 LEU H H 9.476 0.05 1 169 46 46 LEU CA C 54.655 0.2 1 170 46 46 LEU CB C 42.600 0.2 1 171 46 46 LEU N N 123.547 0.2 1 172 47 47 LEU H H 8.216 0.05 1 173 47 47 LEU CA C 55.165 0.2 1 174 47 47 LEU CB C 41.060 0.2 1 175 47 47 LEU N N 120.113 0.2 1 176 48 48 ASP H H 8.135 0.05 1 177 48 48 ASP CA C 55.575 0.2 1 178 48 48 ASP CB C 40.920 0.2 1 179 48 48 ASP N N 117.592 0.2 1 180 49 49 ASN H H 8.075 0.05 1 181 49 49 ASN CA C 55.380 0.2 1 182 49 49 ASN CB C 37.865 0.2 1 183 49 49 ASN N N 121.846 0.2 1 184 50 50 TRP H H 7.822 0.05 1 185 50 50 TRP CA C 59.410 0.2 1 186 50 50 TRP CB C 31.385 0.2 1 187 50 50 TRP N N 123.066 0.2 1 188 51 51 ASP H H 7.684 0.05 1 189 51 51 ASP CA C 52.030 0.2 1 190 51 51 ASP CB C 38.310 0.2 1 191 51 51 ASP N N 121.188 0.2 1 192 52 52 SER CA C 58.070 0.2 1 193 52 52 SER CB C 63.050 0.2 1 194 53 53 VAL H H 8.218 0.05 1 195 53 53 VAL CA C 63.010 0.2 1 196 53 53 VAL CB C 31.630 0.2 1 197 53 53 VAL N N 123.612 0.2 1 198 54 54 THR H H 7.870 0.05 1 199 54 54 THR CA C 60.925 0.2 1 200 54 54 THR CB C 69.247 0.2 1 201 54 54 THR N N 117.058 0.2 1 202 55 55 SER H H 7.851 0.05 1 203 55 55 SER CA C 55.240 0.2 1 204 55 55 SER CB C 63.970 0.2 1 205 55 55 SER N N 124.463 0.2 1 206 56 56 THR H H 7.700 0.05 1 207 56 56 THR CA C 66.040 0.2 1 208 57 57 PHE H H 9.006 0.05 1 209 57 57 PHE CA C 60.590 0.2 1 210 57 57 PHE CB C 38.340 0.2 1 211 57 57 PHE N N 121.160 0.2 1 212 58 58 SER H H 8.170 0.05 1 213 58 58 SER CA C 61.510 0.2 1 214 58 58 SER N N 116.192 0.2 1 215 60 60 LEU CA C 57.090 0.2 1 216 60 60 LEU CB C 41.320 0.2 1 217 61 61 ARG H H 8.152 0.05 1 218 61 61 ARG CA C 58.840 0.2 1 219 61 61 ARG CB C 27.850 0.2 1 220 61 61 ARG N N 119.058 0.2 1 221 62 62 GLU H H 7.579 0.05 1 222 62 62 GLU CA C 58.230 0.2 1 223 62 62 GLU CB C 28.540 0.2 1 224 62 62 GLU N N 119.414 0.2 1 225 63 63 GLN H H 7.626 0.05 1 226 63 63 GLN CA C 57.775 0.2 1 227 63 63 GLN CB C 27.675 0.2 1 228 63 63 GLN N N 118.836 0.2 1 229 64 64 LEU H H 8.055 0.05 1 230 64 64 LEU CA C 56.565 0.2 1 231 64 64 LEU CB C 41.480 0.2 1 232 64 64 LEU N N 119.807 0.2 1 233 65 65 GLY H H 7.154 0.05 1 234 65 65 GLY CA C 44.150 0.2 1 235 65 65 GLY N N 103.974 0.2 1 236 66 66 PRO CA C 62.335 0.2 1 237 66 66 PRO CB C 30.150 0.2 1 238 67 67 VAL H H 8.155 0.05 1 239 67 67 VAL CA C 59.065 0.2 1 240 67 67 VAL CB C 33.617 0.2 1 241 67 67 VAL N N 116.826 0.2 1 242 68 68 THR H H 7.670 0.05 1 243 68 68 THR CA C 59.285 0.2 1 244 68 68 THR CB C 71.610 0.2 1 245 68 68 THR N N 112.295 0.2 1 246 69 69 GLN H H 8.765 0.05 1 247 69 69 GLN CA C 58.190 0.2 1 248 69 69 GLN CB C 27.330 0.2 1 249 69 69 GLN N N 119.600 0.2 1 250 70 70 GLU H H 8.339 0.05 1 251 70 70 GLU CA C 59.483 0.2 1 252 70 70 GLU CB C 28.410 0.2 1 253 70 70 GLU N N 117.757 0.2 1 254 71 71 PHE H H 7.166 0.05 1 255 71 71 PHE CA C 60.233 0.2 1 256 71 71 PHE CB C 38.065 0.2 1 257 71 71 PHE N N 119.423 0.2 1 258 72 72 TRP H H 6.749 0.05 1 259 72 72 TRP CA C 57.865 0.2 1 260 72 72 TRP CB C 28.500 0.2 1 261 72 72 TRP N N 119.591 0.2 1 262 73 73 ASP H H 8.550 0.05 1 263 73 73 ASP CA C 56.745 0.2 1 264 73 73 ASP CB C 39.275 0.2 1 265 73 73 ASP N N 122.112 0.2 1 266 74 74 ASN H H 8.343 0.05 1 267 74 74 ASN CA C 54.843 0.2 1 268 74 74 ASN CB C 37.007 0.2 1 269 74 74 ASN N N 121.697 0.2 1 270 75 75 LEU H H 8.672 0.05 1 271 75 75 LEU CA C 57.635 0.2 1 272 75 75 LEU CB C 39.270 0.2 1 273 75 75 LEU N N 122.675 0.2 1 274 76 76 GLU H H 7.914 0.05 1 275 76 76 GLU CA C 59.060 0.2 1 276 76 76 GLU CB C 28.500 0.2 1 277 76 76 GLU N N 120.581 0.2 1 278 77 77 LYS H H 7.515 0.05 1 279 77 77 LYS CA C 58.457 0.2 1 280 77 77 LYS CB C 32.020 0.2 1 281 77 77 LYS N N 118.867 0.2 1 282 78 78 GLU H H 8.034 0.05 1 283 78 78 GLU CA C 55.187 0.2 1 284 78 78 GLU CB C 28.790 0.2 1 285 78 78 GLU N N 116.835 0.2 1 286 79 79 THR H H 7.459 0.05 1 287 79 79 THR CA C 68.580 0.2 1 288 79 79 THR N N 118.459 0.2 1 289 80 80 GLU H H 8.618 0.05 1 290 80 80 GLU CA C 59.545 0.2 1 291 80 80 GLU CB C 27.770 0.2 1 292 80 80 GLU N N 120.946 0.2 1 293 81 81 GLY H H 8.148 0.05 1 294 81 81 GLY CA C 46.420 0.2 1 295 81 81 GLY N N 109.519 0.2 1 296 82 82 LEU H H 8.395 0.05 1 297 82 82 LEU CA C 58.135 0.2 1 298 82 82 LEU CB C 41.085 0.2 1 299 82 82 LEU N N 124.679 0.2 1 300 83 83 ARG H H 8.375 0.05 1 301 83 83 ARG CA C 59.670 0.2 1 302 83 83 ARG CB C 29.100 0.2 1 303 83 83 ARG N N 119.026 0.2 1 304 84 84 GLN H H 7.684 0.05 1 305 84 84 GLN CA C 58.575 0.2 1 306 84 84 GLN CB C 27.480 0.2 1 307 84 84 GLN N N 119.187 0.2 1 308 85 85 GLU H H 8.079 0.05 1 309 85 85 GLU CA C 58.527 0.2 1 310 85 85 GLU CB C 27.970 0.2 1 311 85 85 GLU N N 119.518 0.2 1 312 86 86 MET H H 8.596 0.05 1 313 86 86 MET CA C 55.197 0.2 1 314 86 86 MET CB C 27.813 0.2 1 315 86 86 MET N N 117.520 0.2 1 316 87 87 SER H H 8.136 0.05 1 317 87 87 SER CA C 61.910 0.2 1 318 87 87 SER CB C 63.200 0.2 1 319 87 87 SER N N 115.854 0.2 1 320 88 88 LYS H H 7.255 0.05 1 321 88 88 LYS CA C 58.945 0.2 1 322 88 88 LYS CB C 30.850 0.2 1 323 88 88 LYS N N 123.206 0.2 1 324 89 89 ASP H H 7.729 0.05 1 325 89 89 ASP CA C 57.415 0.2 1 326 89 89 ASP CB C 40.150 0.2 1 327 89 89 ASP N N 121.884 0.2 1 328 90 90 LEU H H 8.690 0.05 1 329 90 90 LEU CA C 57.860 0.2 1 330 90 90 LEU CB C 40.450 0.2 1 331 90 90 LEU N N 120.905 0.2 1 332 91 91 GLU H H 8.165 0.05 1 333 91 91 GLU CA C 59.020 0.2 1 334 91 91 GLU CB C 28.295 0.2 1 335 91 91 GLU N N 119.004 0.2 1 336 92 92 GLU H H 7.829 0.05 1 337 92 92 GLU CA C 58.845 0.2 1 338 92 92 GLU CB C 28.695 0.2 1 339 92 92 GLU N N 120.586 0.2 1 340 93 93 VAL H H 8.242 0.05 1 341 93 93 VAL CA C 66.570 0.2 1 342 93 93 VAL CB C 30.740 0.2 1 343 93 93 VAL N N 121.110 0.2 1 344 94 94 LYS H H 9.272 0.05 1 345 94 94 LYS CA C 60.080 0.2 1 346 94 94 LYS CB C 31.095 0.2 1 347 94 94 LYS N N 121.183 0.2 1 348 95 95 ALA H H 7.354 0.05 1 349 95 95 ALA CA C 54.125 0.2 1 350 95 95 ALA CB C 16.973 0.2 1 351 95 95 ALA N N 119.867 0.2 1 352 96 96 LYS H H 7.367 0.05 1 353 96 96 LYS CA C 57.780 0.2 1 354 96 96 LYS CB C 31.715 0.2 1 355 96 96 LYS N N 117.520 0.2 1 356 97 97 VAL H H 7.509 0.05 1 357 97 97 VAL CA C 61.827 0.2 1 358 97 97 VAL CB C 31.565 0.2 1 359 97 97 VAL N N 112.494 0.2 1 360 98 98 GLN H H 7.649 0.05 1 361 98 98 GLN CA C 59.230 0.2 1 362 98 98 GLN CB C 24.730 0.2 1 363 98 98 GLN N N 123.317 0.2 1 364 99 99 PRO CA C 65.520 0.2 1 365 99 99 PRO CB C 30.065 0.2 1 366 100 100 TYR H H 7.271 0.05 1 367 100 100 TYR CA C 60.110 0.2 1 368 100 100 TYR CB C 36.625 0.2 1 369 100 100 TYR N N 116.023 0.2 1 370 101 101 LEU H H 7.419 0.05 1 371 101 101 LEU CA C 57.470 0.2 1 372 101 101 LEU CB C 38.265 0.2 1 373 101 101 LEU N N 122.812 0.2 1 374 102 102 ASP H H 8.447 0.05 1 375 102 102 ASP CA C 56.855 0.2 1 376 102 102 ASP CB C 39.580 0.2 1 377 102 102 ASP N N 119.801 0.2 1 378 103 103 ASP H H 8.008 0.05 1 379 103 103 ASP CA C 56.750 0.2 1 380 103 103 ASP CB C 40.873 0.2 1 381 103 103 ASP N N 121.079 0.2 1 382 104 104 PHE H H 7.943 0.05 1 383 104 104 PHE CA C 60.960 0.2 1 384 104 104 PHE CB C 38.210 0.2 1 385 104 104 PHE N N 121.273 0.2 1 386 105 105 GLN H H 8.096 0.05 1 387 105 105 GLN CA C 57.740 0.2 1 388 105 105 GLN CB C 28.510 0.2 1 389 105 105 GLN N N 119.106 0.2 1 390 106 106 LYS H H 7.699 0.05 1 391 106 106 LYS CA C 58.555 0.2 1 392 106 106 LYS CB C 31.430 0.2 1 393 106 106 LYS N N 118.912 0.2 1 394 107 107 LYS H H 8.069 0.05 1 395 107 107 LYS CA C 58.410 0.2 1 396 107 107 LYS CB C 30.560 0.2 1 397 107 107 LYS N N 119.138 0.2 1 398 108 108 TRP CA C 53.600 0.2 1 399 108 108 TRP CB C 25.880 0.2 1 400 109 109 GLN H H 6.993 0.05 1 401 109 109 GLN CA C 59.310 0.2 1 402 109 109 GLN CB C 26.260 0.2 1 403 109 109 GLN N N 122.543 0.2 1 404 110 110 GLU H H 7.810 0.05 1 405 110 110 GLU CA C 55.020 0.2 1 406 110 110 GLU CB C 29.000 0.2 1 407 110 110 GLU N N 121.665 0.2 1 408 111 111 GLU H H 8.020 0.05 1 409 111 111 GLU CA C 54.980 0.2 1 410 111 111 GLU CB C 29.610 0.2 1 411 111 111 GLU N N 123.884 0.2 1 412 112 112 MET CA C 57.910 0.2 1 413 112 112 MET CB C 31.460 0.2 1 414 113 113 GLU H H 7.718 0.05 1 415 113 113 GLU CA C 57.950 0.2 1 416 113 113 GLU CB C 27.960 0.2 1 417 113 113 GLU N N 121.408 0.2 1 418 114 114 LEU H H 7.886 0.05 1 419 114 114 LEU CA C 57.375 0.2 1 420 114 114 LEU CB C 40.390 0.2 1 421 114 114 LEU N N 121.656 0.2 1 422 115 115 TYR H H 8.181 0.05 1 423 115 115 TYR CA C 61.093 0.2 1 424 115 115 TYR CB C 37.705 0.2 1 425 115 115 TYR N N 120.736 0.2 1 426 116 116 ARG H H 8.308 0.05 1 427 116 116 ARG CA C 59.010 0.2 1 428 116 116 ARG CB C 28.790 0.2 1 429 116 116 ARG N N 120.099 0.2 1 430 117 117 GLN H H 7.819 0.05 1 431 117 117 GLN CA C 57.590 0.2 1 432 117 117 GLN CB C 27.910 0.2 1 433 117 117 GLN N N 115.959 0.2 1 434 118 118 LYS H H 7.710 0.05 1 435 118 118 LYS CA C 57.240 0.2 1 436 118 118 LYS CB C 32.330 0.2 1 437 118 118 LYS N N 118.479 0.2 1 438 119 119 VAL H H 7.758 0.05 1 439 119 119 VAL CA C 62.490 0.2 1 440 119 119 VAL CB C 31.185 0.2 1 441 119 119 VAL N N 115.592 0.2 1 442 120 120 GLU H H 8.299 0.05 1 443 120 120 GLU CA C 55.340 0.2 1 444 120 120 GLU CB C 28.960 0.2 1 445 120 120 GLU N N 120.967 0.2 1 446 121 121 PRO CA C 64.280 0.2 1 447 121 121 PRO CB C 30.420 0.2 1 448 122 122 LEU H H 7.338 0.05 1 449 122 122 LEU CA C 55.585 0.2 1 450 122 122 LEU CB C 40.750 0.2 1 451 122 122 LEU N N 118.837 0.2 1 452 123 123 ARG H H 7.948 0.05 1 453 123 123 ARG CA C 57.180 0.2 1 454 123 123 ARG CB C 29.205 0.2 1 455 123 123 ARG N N 120.148 0.2 1 456 124 124 ALA H H 7.980 0.05 1 457 124 124 ALA CA C 53.447 0.2 1 458 124 124 ALA CB C 17.713 0.2 1 459 124 124 ALA N N 123.128 0.2 1 460 125 125 GLU H H 7.914 0.05 1 461 125 125 GLU CA C 56.910 0.2 1 462 125 125 GLU CB C 28.935 0.2 1 463 125 125 GLU N N 118.790 0.2 1 464 126 126 LEU H H 7.818 0.05 1 465 126 126 LEU CA C 55.145 0.2 1 466 126 126 LEU CB C 41.090 0.2 1 467 126 126 LEU N N 121.446 0.2 1 468 127 127 GLN H H 7.994 0.05 1 469 127 127 GLN CA C 55.775 0.2 1 470 127 127 GLN CB C 28.375 0.2 1 471 127 127 GLN N N 120.076 0.2 1 472 128 128 GLU H H 8.178 0.05 1 473 128 128 GLU CA C 55.210 0.2 1 474 128 128 GLU CB C 31.150 0.2 1 475 128 128 GLU N N 121.672 0.2 1 476 129 129 GLY H H 8.303 0.05 1 477 129 129 GLY CA C 44.867 0.2 1 478 129 129 GLY N N 109.742 0.2 1 479 130 130 ALA H H 8.054 0.05 1 480 130 130 ALA CA C 52.293 0.2 1 481 130 130 ALA CB C 18.127 0.2 1 482 130 130 ALA N N 124.540 0.2 1 483 131 131 ARG H H 8.130 0.05 1 484 131 131 ARG CA C 55.930 0.2 1 485 131 131 ARG CB C 29.510 0.2 1 486 131 131 ARG N N 120.454 0.2 1 487 132 132 GLN H H 8.285 0.05 1 488 132 132 GLN CA C 55.785 0.2 1 489 132 132 GLN CB C 29.425 0.2 1 490 132 132 GLN N N 122.450 0.2 1 491 133 133 LYS H H 7.888 0.05 1 492 133 133 LYS CA C 57.450 0.2 1 493 133 133 LYS CB C 31.420 0.2 1 494 133 133 LYS N N 121.174 0.2 1 495 134 134 LEU CA C 54.910 0.2 1 496 134 134 LEU CB C 40.970 0.2 1 497 135 135 HIS H H 8.079 0.05 1 498 135 135 HIS CA C 52.400 0.2 1 499 135 135 HIS CB C 31.850 0.2 1 500 135 135 HIS N N 124.577 0.2 1 501 136 136 GLU CA C 57.560 0.2 1 502 136 136 GLU CB C 29.310 0.2 1 503 137 137 LEU H H 7.958 0.05 1 504 137 137 LEU CA C 56.293 0.2 1 505 137 137 LEU CB C 40.775 0.2 1 506 137 137 LEU N N 121.497 0.2 1 507 138 138 GLN H H 8.133 0.05 1 508 138 138 GLN CA C 57.320 0.2 1 509 138 138 GLN CB C 27.765 0.2 1 510 138 138 GLN N N 119.521 0.2 1 511 139 139 GLU H H 8.020 0.05 1 512 139 139 GLU CA C 57.520 0.2 1 513 139 139 GLU CB C 29.435 0.2 1 514 139 139 GLU N N 120.200 0.2 1 515 140 140 LYS H H 8.046 0.05 1 516 140 140 LYS CA C 55.910 0.2 1 517 140 140 LYS CB C 31.340 0.2 1 518 140 140 LYS N N 121.602 0.2 1 519 143 143 PRO CA C 64.830 0.2 1 520 143 143 PRO CB C 30.150 0.2 1 521 144 144 LEU H H 7.420 0.05 1 522 144 144 LEU CA C 56.805 0.2 1 523 144 144 LEU CB C 40.823 0.2 1 524 144 144 LEU N N 119.224 0.2 1 525 145 145 GLY H H 8.099 0.05 1 526 145 145 GLY CA C 46.788 0.2 1 527 145 145 GLY N N 108.589 0.2 1 528 146 146 GLU H H 8.014 0.05 1 529 146 146 GLU CA C 58.610 0.2 1 530 146 146 GLU CB C 28.490 0.2 1 531 146 146 GLU N N 121.920 0.2 1 532 147 147 GLU CA C 58.660 0.2 1 533 147 147 GLU CB C 28.700 0.2 1 534 148 148 MET H H 7.999 0.05 1 535 148 148 MET CA C 57.053 0.2 1 536 148 148 MET CB C 31.050 0.2 1 537 148 148 MET N N 118.582 0.2 1 538 149 149 ARG H H 8.234 0.05 1 539 149 149 ARG CA C 58.720 0.2 1 540 149 149 ARG CB C 29.220 0.2 1 541 149 149 ARG N N 121.656 0.2 1 542 150 150 ASP H H 7.965 0.05 1 543 150 150 ASP CA C 55.690 0.2 1 544 150 150 ASP CB C 39.625 0.2 1 545 150 150 ASP N N 120.750 0.2 1 546 151 151 ARG H H 8.234 0.05 1 547 151 151 ARG CA C 56.015 0.2 1 548 151 151 ARG CB C 29.315 0.2 1 549 151 151 ARG N N 122.154 0.2 1 550 152 152 ALA H H 8.440 0.05 1 551 152 152 ALA CA C 55.295 0.2 1 552 152 152 ALA CB C 18.985 0.2 1 553 152 152 ALA N N 122.031 0.2 1 554 153 153 ARG H H 7.741 0.05 1 555 153 153 ARG CA C 58.795 0.2 1 556 153 153 ARG CB C 28.755 0.2 1 557 153 153 ARG N N 116.942 0.2 1 558 154 154 ALA H H 7.748 0.05 1 559 154 154 ALA CA C 54.727 0.2 1 560 154 154 ALA CB C 16.600 0.2 1 561 154 154 ALA N N 122.424 0.2 1 562 155 155 HIS H H 8.371 0.05 1 563 155 155 HIS CA C 58.365 0.2 1 564 155 155 HIS CB C 30.180 0.2 1 565 155 155 HIS N N 119.987 0.2 1 566 156 156 VAL H H 8.244 0.05 1 567 156 156 VAL CA C 66.895 0.2 1 568 156 156 VAL CB C 30.830 0.2 1 569 156 156 VAL N N 122.072 0.2 1 570 157 157 ASP H H 8.777 0.05 1 571 157 157 ASP CA C 57.233 0.2 1 572 157 157 ASP CB C 39.770 0.2 1 573 157 157 ASP N N 122.087 0.2 1 574 158 158 ALA H H 8.182 0.05 1 575 158 158 ALA CA C 54.540 0.2 1 576 158 158 ALA CB C 16.927 0.2 1 577 158 158 ALA N N 122.748 0.2 1 578 159 159 LEU H H 7.712 0.05 1 579 159 159 LEU CA C 57.880 0.2 1 580 159 159 LEU CB C 40.070 0.2 1 581 159 159 LEU N N 121.122 0.2 1 582 160 160 ARG H H 8.565 0.05 1 583 160 160 ARG CA C 59.540 0.2 1 584 160 160 ARG CB C 28.930 0.2 1 585 160 160 ARG N N 119.841 0.2 1 586 161 161 THR H H 8.092 0.05 1 587 161 161 THR CA C 65.517 0.2 1 588 161 161 THR CB C 68.190 0.2 1 589 161 161 THR N N 115.177 0.2 1 590 162 162 HIS H H 8.094 0.05 1 591 162 162 HIS CA C 58.020 0.2 1 592 162 162 HIS CB C 28.885 0.2 1 593 162 162 HIS N N 121.449 0.2 1 594 163 163 LEU H H 7.882 0.05 1 595 163 163 LEU CA C 56.730 0.2 1 596 163 163 LEU CB C 41.407 0.2 1 597 163 163 LEU N N 114.939 0.2 1 598 164 164 ALA H H 7.322 0.05 1 599 164 164 ALA CA C 56.570 0.2 1 600 164 164 ALA CB C 14.900 0.2 1 601 164 164 ALA N N 121.629 0.2 1 602 165 165 PRO CA C 64.880 0.2 1 603 165 165 PRO CB C 29.925 0.2 1 604 166 166 TYR H H 7.119 0.05 1 605 166 166 TYR CA C 61.205 0.2 1 606 166 166 TYR CB C 37.197 0.2 1 607 166 166 TYR N N 118.539 0.2 1 608 167 167 SER H H 8.006 0.05 1 609 167 167 SER CA C 62.460 0.2 1 610 167 167 SER N N 118.241 0.2 1 611 168 168 ASP CA C 57.025 0.2 1 612 168 168 ASP CB C 39.670 0.2 1 613 169 169 GLU H H 7.837 0.05 1 614 169 169 GLU CA C 59.030 0.2 1 615 169 169 GLU CB C 28.155 0.2 1 616 169 169 GLU N N 121.623 0.2 1 617 170 170 LEU H H 7.898 0.05 1 618 170 170 LEU CA C 57.845 0.2 1 619 170 170 LEU CB C 41.355 0.2 1 620 170 170 LEU N N 119.634 0.2 1 621 171 171 ARG H H 8.302 0.05 1 622 171 171 ARG CA C 60.020 0.2 1 623 171 171 ARG CB C 27.870 0.2 1 624 171 171 ARG N N 120.504 0.2 1 625 172 172 GLN H H 8.536 0.05 1 626 172 172 GLN CA C 58.170 0.2 1 627 172 172 GLN CB C 27.180 0.2 1 628 172 172 GLN N N 118.904 0.2 1 629 173 173 ARG H H 8.357 0.05 1 630 173 173 ARG CA C 58.860 0.2 1 631 173 173 ARG CB C 28.730 0.2 1 632 173 173 ARG N N 121.587 0.2 1 633 174 174 LEU H H 8.061 0.05 1 634 174 174 LEU CA C 57.577 0.2 1 635 174 174 LEU CB C 39.887 0.2 1 636 174 174 LEU N N 121.184 0.2 1 637 175 175 ALA H H 8.955 0.05 1 638 175 175 ALA CA C 55.430 0.2 1 639 175 175 ALA CB C 17.125 0.2 1 640 175 175 ALA N N 121.682 0.2 1 641 176 176 ALA H H 8.026 0.05 1 642 176 176 ALA CA C 54.400 0.2 1 643 176 176 ALA CB C 17.110 0.2 1 644 176 176 ALA N N 119.241 0.2 1 645 177 177 ARG H H 7.540 0.05 1 646 177 177 ARG CA C 58.805 0.2 1 647 177 177 ARG CB C 28.745 0.2 1 648 177 177 ARG N N 118.554 0.2 1 649 178 178 LEU H H 8.135 0.05 1 650 178 178 LEU CA C 56.865 0.2 1 651 178 178 LEU CB C 40.750 0.2 1 652 178 178 LEU N N 118.606 0.2 1 653 179 179 GLU H H 8.824 0.05 1 654 179 179 GLU CA C 58.965 0.2 1 655 179 179 GLU CB C 28.620 0.2 1 656 179 179 GLU N N 120.916 0.2 1 657 180 180 ALA H H 7.095 0.05 1 658 180 180 ALA CA C 53.325 0.2 1 659 180 180 ALA CB C 17.335 0.2 1 660 180 180 ALA N N 119.041 0.2 1 661 181 181 LEU H H 7.494 0.05 1 662 181 181 LEU CA C 54.570 0.2 1 663 181 181 LEU CB C 40.140 0.2 1 664 181 181 LEU N N 116.844 0.2 1 665 182 182 LYS H H 7.390 0.05 1 666 182 182 LYS CA C 57.647 0.2 1 667 182 182 LYS CB C 32.275 0.2 1 668 182 182 LYS N N 117.584 0.2 1 669 183 183 GLU H H 7.972 0.05 1 670 183 183 GLU CA C 55.790 0.2 1 671 183 183 GLU CB C 29.635 0.2 1 672 183 183 GLU N N 118.951 0.2 1 673 184 184 ASN H H 8.503 0.05 1 674 184 184 ASN CA C 52.995 0.2 1 675 184 184 ASN CB C 38.200 0.2 1 676 184 184 ASN N N 120.709 0.2 1 677 185 185 GLY H H 8.387 0.05 1 678 185 185 GLY CA C 45.215 0.2 1 679 185 185 GLY N N 110.236 0.2 1 680 186 186 GLY H H 8.190 0.05 1 681 186 186 GLY CA C 44.940 0.2 1 682 186 186 GLY N N 109.722 0.2 1 683 187 187 ALA H H 7.993 0.05 1 684 187 187 ALA CA C 52.275 0.2 1 685 187 187 ALA CB C 18.120 0.2 1 686 187 187 ALA N N 124.277 0.2 1 687 188 188 ARG H H 7.953 0.05 1 688 188 188 ARG CA C 55.100 0.2 1 689 188 188 ARG CB C 28.470 0.2 1 690 188 188 ARG N N 120.638 0.2 1 691 189 189 LEU CA C 54.430 0.2 1 692 189 189 LEU CB C 41.180 0.2 1 693 190 190 ALA H H 8.122 0.05 1 694 190 190 ALA CA C 51.750 0.2 1 695 190 190 ALA CB C 18.160 0.2 1 696 190 190 ALA N N 125.836 0.2 1 697 191 191 GLU H H 8.065 0.05 1 698 191 191 GLU CA C 53.805 0.2 1 699 191 191 GLU CB C 29.330 0.2 1 700 191 191 GLU N N 119.975 0.2 1 701 192 192 TYR H H 7.913 0.05 1 702 192 192 TYR CA C 60.315 0.2 1 703 192 192 TYR CB C 37.750 0.2 1 704 192 192 TYR N N 121.102 0.2 1 705 193 193 HIS H H 8.399 0.05 1 706 193 193 HIS CA C 56.210 0.2 1 707 193 193 HIS CB C 29.170 0.2 1 708 193 193 HIS N N 125.951 0.2 1 709 194 194 ALA CA C 51.670 0.2 1 710 194 194 ALA CB C 18.280 0.2 1 711 195 195 LYS H H 8.198 0.05 1 712 195 195 LYS CA C 56.453 0.2 1 713 195 195 LYS CB C 31.675 0.2 1 714 195 195 LYS N N 123.198 0.2 1 715 196 196 ALA H H 8.079 0.05 1 716 196 196 ALA CA C 52.113 0.2 1 717 196 196 ALA CB C 18.130 0.2 1 718 196 196 ALA N N 121.873 0.2 1 719 197 197 THR H H 7.911 0.05 1 720 197 197 THR CA C 61.590 0.2 1 721 197 197 THR CB C 69.120 0.2 1 722 197 197 THR N N 113.160 0.2 1 723 198 198 GLU CA C 52.585 0.2 1 724 198 198 GLU CB C 29.600 0.2 1 725 199 199 HIS H H 7.673 0.05 1 726 199 199 HIS CA C 58.880 0.2 1 727 199 199 HIS CB C 29.655 0.2 1 728 199 199 HIS N N 121.694 0.2 1 729 200 200 LEU H H 8.180 0.05 1 730 200 200 LEU CA C 54.405 0.2 1 731 200 200 LEU CB C 41.010 0.2 1 732 200 200 LEU N N 118.748 0.2 1 733 201 201 SER H H 7.761 0.05 1 734 201 201 SER CA C 59.170 0.2 1 735 201 201 SER CB C 63.967 0.2 1 736 201 201 SER N N 122.722 0.2 1 737 202 202 THR H H 7.697 0.05 1 738 202 202 THR CA C 62.160 0.2 1 739 202 202 THR CB C 69.700 0.2 1 740 202 202 THR N N 121.728 0.2 1 741 203 203 LEU H H 8.172 0.05 1 742 203 203 LEU CA C 56.350 0.2 1 743 203 203 LEU CB C 40.925 0.2 1 744 203 203 LEU N N 123.866 0.2 1 745 204 204 SER H H 8.118 0.05 1 746 204 204 SER CB C 69.240 0.2 1 747 204 204 SER N N 119.138 0.2 1 748 205 205 GLU CA C 57.505 0.2 1 749 205 205 GLU CB C 28.690 0.2 1 750 206 206 LYS H H 7.824 0.05 1 751 206 206 LYS CA C 56.845 0.2 1 752 206 206 LYS CB C 31.995 0.2 1 753 206 206 LYS N N 120.139 0.2 1 754 207 207 ALA H H 8.062 0.05 1 755 207 207 ALA CA C 52.060 0.2 1 756 207 207 ALA CB C 18.100 0.2 1 757 207 207 ALA N N 120.043 0.2 1 758 208 208 LYS H H 7.747 0.05 1 759 208 208 LYS CA C 57.070 0.2 1 760 208 208 LYS CB C 32.730 0.2 1 761 208 208 LYS N N 126.600 0.2 1 762 209 209 PRO CA C 62.535 0.2 1 763 209 209 PRO CB C 31.075 0.2 1 764 210 210 ALA H H 8.287 0.05 1 765 210 210 ALA CA C 51.673 0.2 1 766 210 210 ALA CB C 18.207 0.2 1 767 210 210 ALA N N 125.231 0.2 1 768 211 211 LEU H H 8.086 0.05 1 769 211 211 LEU CA C 53.870 0.2 1 770 211 211 LEU CB C 41.135 0.2 1 771 211 211 LEU N N 122.357 0.2 1 772 212 212 GLU H H 7.732 0.05 1 773 212 212 GLU CA C 55.555 0.2 1 774 212 212 GLU CB C 31.010 0.2 1 775 212 212 GLU N N 120.762 0.2 1 776 213 213 ASP H H 8.200 0.05 1 777 213 213 ASP CA C 53.835 0.2 1 778 213 213 ASP CB C 40.310 0.2 1 779 213 213 ASP N N 121.728 0.2 1 780 214 214 LEU H H 7.987 0.05 1 781 214 214 LEU CA C 54.683 0.2 1 782 214 214 LEU CB C 40.875 0.2 1 783 214 214 LEU N N 123.198 0.2 1 784 215 215 ARG H H 8.127 0.05 1 785 215 215 ARG CA C 55.975 0.2 1 786 215 215 ARG CB C 29.360 0.2 1 787 215 215 ARG N N 122.153 0.2 1 788 216 216 GLN H H 8.470 0.05 1 789 216 216 GLN CA C 56.680 0.2 1 790 216 216 GLN CB C 28.975 0.2 1 791 216 216 GLN N N 122.058 0.2 1 792 217 217 GLY H H 8.249 0.05 1 793 217 217 GLY CA C 44.904 0.2 1 794 217 217 GLY N N 110.178 0.2 1 795 218 218 LEU H H 7.866 0.05 1 796 218 218 LEU CA C 54.490 0.2 1 797 218 218 LEU CB C 41.250 0.2 1 798 218 218 LEU N N 121.918 0.2 1 799 219 219 LEU H H 7.841 0.05 1 800 219 219 LEU CA C 52.690 0.2 1 801 219 219 LEU CB C 39.770 0.2 1 802 219 219 LEU N N 125.040 0.2 1 803 220 220 PRO CA C 61.960 0.2 1 804 220 220 PRO CB C 30.930 0.2 1 805 221 221 VAL H H 8.036 0.05 1 806 221 221 VAL CA C 62.410 0.2 1 807 221 221 VAL CB C 31.285 0.2 1 808 221 221 VAL N N 121.280 0.2 1 809 222 222 LEU H H 8.117 0.05 1 810 222 222 LEU CA C 53.923 0.2 1 811 222 222 LEU CB C 40.520 0.2 1 812 222 222 LEU N N 121.815 0.2 1 813 223 223 GLU H H 7.741 0.05 1 814 223 223 GLU CA C 55.620 0.2 1 815 223 223 GLU CB C 29.420 0.2 1 816 223 223 GLU N N 120.983 0.2 1 817 224 224 SER H H 8.024 0.05 1 818 224 224 SER CA C 61.110 0.2 1 819 224 224 SER CB C 69.480 0.2 1 820 224 224 SER N N 115.443 0.2 1 821 225 225 PHE CA C 61.500 0.2 1 822 225 225 PHE CB C 41.140 0.2 1 823 226 226 LYS H H 7.710 0.05 1 824 226 226 LYS CA C 58.610 0.2 1 825 226 226 LYS CB C 31.455 0.2 1 826 226 226 LYS N N 121.718 0.2 1 827 227 227 VAL H H 7.956 0.05 1 828 227 227 VAL CA C 61.815 0.2 1 829 227 227 VAL CB C 31.785 0.2 1 830 227 227 VAL N N 122.157 0.2 1 831 228 228 SER H H 7.767 0.05 1 832 228 228 SER CA C 61.580 0.2 1 833 228 228 SER CB C 68.150 0.2 1 834 228 228 SER N N 125.544 0.2 1 835 229 229 PHE H H 8.018 0.05 1 836 229 229 PHE CA C 61.570 0.2 1 837 229 229 PHE CB C 37.925 0.2 1 838 229 229 PHE N N 124.322 0.2 1 839 230 230 LEU H H 8.000 0.05 1 840 230 230 LEU CB C 40.900 0.2 1 841 230 230 LEU N N 122.730 0.2 1 842 232 232 ALA CA C 51.550 0.2 1 843 232 232 ALA CB C 18.270 0.2 1 844 233 233 LEU H H 8.060 0.05 1 845 233 233 LEU CA C 54.800 0.2 1 846 233 233 LEU CB C 41.050 0.2 1 847 233 233 LEU N N 123.760 0.2 1 848 234 234 GLU H H 8.303 0.05 1 849 234 234 GLU CA C 56.150 0.2 1 850 234 234 GLU CB C 30.863 0.2 1 851 234 234 GLU N N 121.210 0.2 1 852 235 235 GLU H H 7.859 0.05 1 853 235 235 GLU CA C 56.460 0.2 1 854 235 235 GLU CB C 29.400 0.2 1 855 235 235 GLU N N 125.998 0.2 1 856 236 236 TYR H H 7.944 0.05 1 857 236 236 TYR CA C 57.763 0.2 1 858 236 236 TYR CB C 37.713 0.2 1 859 236 236 TYR N N 121.597 0.2 1 860 237 237 THR H H 7.641 0.05 1 861 237 237 THR CA C 62.505 0.2 1 862 237 237 THR CB C 70.150 0.2 1 863 237 237 THR N N 121.739 0.2 1 864 238 238 LYS H H 8.172 0.05 1 865 238 238 LYS CA C 55.195 0.2 1 866 238 238 LYS CB C 31.225 0.2 1 867 238 238 LYS N N 122.808 0.2 1 868 239 239 LYS H H 8.172 0.05 1 869 239 239 LYS CA C 56.670 0.2 1 870 239 239 LYS CB C 31.650 0.2 1 871 239 239 LYS N N 121.248 0.2 1 872 241 241 ASN CA C 55.920 0.2 1 873 241 241 ASN CB C 40.700 0.2 1 874 242 242 THR H H 8.110 0.05 1 875 242 242 THR CA C 61.380 0.2 1 876 242 242 THR CB C 69.350 0.2 1 877 242 242 THR N N 115.986 0.2 1 878 243 243 GLN H H 7.816 0.05 1 879 243 243 GLN CA C 56.960 0.2 1 880 243 243 GLN CB C 29.370 0.2 1 881 243 243 GLN N N 127.987 0.2 1 stop_ save_