data_18826 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Complex structure of C-terminal CFTR peptide and extended PDZ2 domain from NHERF1. ; _BMRB_accession_number 18826 _BMRB_flat_file_name bmr18826.str _Entry_type original _Submission_date 2012-11-06 _Accession_date 2012-11-06 _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 Bhattacharya Shibani . . 2 Ju Jeong H. . 3 Cowburn David . . 4 Bu Zimei . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 2 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 770 "13C chemical shifts" 508 "15N chemical shifts" 132 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2013-07-09 update BMRB 'update entry citation' 2013-04-22 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 18824 'extended PDZ1 domain from NHERF1' 18825 'C-terminal CFTR peptide and extended PDZ1 domain from NHERF1' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Ligand-Induced Dynamic Changes in Extended PDZ Domains from NHERF1.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 23583913 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Bhattacharya Shibani . . 2 Ju 'Jeong Ho' . . 3 Orlova Natalia . . 4 Khajeh 'Jahan Ali' . . 5 Cowburn David . . 6 Bu Zimei . . stop_ _Journal_abbreviation 'J. Mol. Biol.' _Journal_name_full 'Journal of molecular biology' _Journal_volume 425 _Journal_issue 14 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 2509 _Page_last 2528 _Year 2013 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'C-terminal CFTR peptide and extended PDZ2 domain from NHERF1' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'extended PDZ2 domain from NHERF1' $PDZ2 'C-terminal CFTR peptide' $CFTR 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_PDZ2 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common PDZ2 _Molecular_mass 14101.081 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 128 _Mol_residue_sequence ; GIDPFTMLRPRLCTMKKGPS GYGFNLHSDKSKPGQFIRSV DPDSPAEASGLRAQDRIVEV NGVCMEGKQHGDVVSAIRAG GDETKLLVVDRETDEFFKKC RVIPSQEHLNGPLPVPFTNG EIQKENSR ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 143 GLY 2 144 ILE 3 145 ASP 4 146 PRO 5 147 PHE 6 148 THR 7 149 MET 8 150 LEU 9 151 ARG 10 152 PRO 11 153 ARG 12 154 LEU 13 155 CYS 14 156 THR 15 157 MET 16 158 LYS 17 159 LYS 18 160 GLY 19 161 PRO 20 162 SER 21 163 GLY 22 164 TYR 23 165 GLY 24 166 PHE 25 167 ASN 26 168 LEU 27 169 HIS 28 170 SER 29 171 ASP 30 172 LYS 31 173 SER 32 174 LYS 33 175 PRO 34 176 GLY 35 177 GLN 36 178 PHE 37 179 ILE 38 180 ARG 39 181 SER 40 182 VAL 41 183 ASP 42 184 PRO 43 185 ASP 44 186 SER 45 187 PRO 46 188 ALA 47 189 GLU 48 190 ALA 49 191 SER 50 192 GLY 51 193 LEU 52 194 ARG 53 195 ALA 54 196 GLN 55 197 ASP 56 198 ARG 57 199 ILE 58 200 VAL 59 201 GLU 60 202 VAL 61 203 ASN 62 204 GLY 63 205 VAL 64 206 CYS 65 207 MET 66 208 GLU 67 209 GLY 68 210 LYS 69 211 GLN 70 212 HIS 71 213 GLY 72 214 ASP 73 215 VAL 74 216 VAL 75 217 SER 76 218 ALA 77 219 ILE 78 220 ARG 79 221 ALA 80 222 GLY 81 223 GLY 82 224 ASP 83 225 GLU 84 226 THR 85 227 LYS 86 228 LEU 87 229 LEU 88 230 VAL 89 231 VAL 90 232 ASP 91 233 ARG 92 234 GLU 93 235 THR 94 236 ASP 95 237 GLU 96 238 PHE 97 239 PHE 98 240 LYS 99 241 LYS 100 242 CYS 101 243 ARG 102 244 VAL 103 245 ILE 104 246 PRO 105 247 SER 106 248 GLN 107 249 GLU 108 250 HIS 109 251 LEU 110 252 ASN 111 253 GLY 112 254 PRO 113 255 LEU 114 256 PRO 115 257 VAL 116 258 PRO 117 259 PHE 118 260 THR 119 261 ASN 120 262 GLY 121 263 GLU 122 264 ILE 123 265 GLN 124 266 LYS 125 267 GLU 126 268 ASN 127 269 SER 128 270 ARG stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-29 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 BMRB 15567 PDZ2 76.56 98 100.00 100.00 3.50e-64 BMRB 16637 PDZ2-270 100.00 128 100.00 100.00 3.88e-88 BMRB 16638 NHERF1_(150-358) 100.00 216 100.00 100.00 1.99e-89 PDB 2JXO "Structure Of The Second Pdz Domain Of Nherf-1" 76.56 98 100.00 100.00 3.50e-64 PDB 2KJD "Solution Structure Of Extended Pdz2 Domain From Nherf1 (150- 270)" 100.00 128 100.00 100.00 3.88e-88 PDB 2KRG "Solution Structure Of Human Sodium HYDROGEN EXCHANGE Regulatory Factor 1(150-358)" 100.00 216 100.00 100.00 1.99e-89 PDB 2M0V "Complex Structure Of C-terminal Cftr Peptide And Extended Pdz2 Domain From Nherf1" 100.00 128 100.00 100.00 3.88e-88 PDB 2OZF "The Crystal Structure Of The 2nd Pdz Domain Of The Human Nherf-1 (Slc9a3r1)" 69.53 92 97.75 100.00 7.43e-56 PDB 4Q3H "The Crystal Structure Of Nherf1 Pdz2 Cxcr2 Complex Revealed By The Nherf1 Cxcr2 Chimeric Protein" 68.75 92 98.86 100.00 8.74e-56 DBJ BAG54683 "unnamed protein product [Homo sapiens]" 89.06 202 100.00 100.00 1.53e-77 GB EAW89189 "solute carrier family 9 (sodium/hydrogen exchanger), member 3 regulator 1, isoform CRA_a [Homo sapiens]" 89.06 202 100.00 100.00 1.53e-77 GB EHH58322 "hypothetical protein EGM_08144, partial [Macaca fascicularis]" 94.53 233 97.52 98.35 2.16e-81 stop_ save_ save_CFTR _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common CFTR _Molecular_mass 632.693 _Mol_thiol_state 'not present' _Details . _Residue_count 5 _Mol_residue_sequence QDTRL loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 271 GLN 2 272 ASP 3 273 THR 4 274 ARG 5 275 LEU 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 $PDZ2 Human 9606 Eukaryota Metazoa Homo sapiens $CFTR Human 9606 Eukaryota Metazoa Homo sapiens 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 $PDZ2 'recombinant technology' . . . 'Rosetta 2 (DE3)' pET151/D-TOPO $CFTR 'chemical synthesis' . . . . . 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 $PDZ2 400 uM '[U-99% 13C; U-99% 15N]' TRIS 20 mM 'natural abundance' 'sodium chloride' 150 mM 'natural abundance' DTT 0.5 mM 'natural abundance' EDTA 0.5 mM 'natural abundance' $CFTR 688 uM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $PDZ2 200 uM '[U-99% 13C; U-99% 15N]' TRIS 20 mM 'natural abundance' 'sodium chloride' 150 mM 'natural abundance' DTT 0.5 mM 'natural abundance' EDTA 0.5 mM 'natural abundance' $CFTR 275 uM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version 2.1 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection processing stop_ _Details . save_ save_CARA _Saveframe_category software _Name CARA _Version 1.5 loop_ _Vendor _Address _Electronic_address 'Keller and Wuthrich' . . stop_ loop_ _Task 'data analysis' 'peak picking' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version 2.1 loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_ARIA _Saveframe_category software _Name ARIA _Version 2.2 loop_ _Vendor _Address _Electronic_address 'Linge, O'Donoghue and Nilges' . . stop_ loop_ _Task refinement stop_ _Details . save_ save_TALOS _Saveframe_category software _Name TALOS _Version 1.01 loop_ _Vendor _Address _Electronic_address 'Cornilescu, Delaglio and Bax' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 900 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _Details . save_ save_spectrometer_4 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ save_spectrometer_5 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 500 _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_2D_1H-13C_HSQC_aliphatic_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_aromatic_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aromatic' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aliphatic_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aromatic_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _Sample_label $sample_1 save_ save_3D_HNCA_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCACB_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HNCO_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_H(CCO)NH_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_2 save_ save_2D_13C,15N_f1,f2-filtered_TOCSY_14 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 13C,15N f1,f2-filtered TOCSY' _Sample_label $sample_1 save_ save_2D_13C,15N_f1,f2-filtered_NOESY_15 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 13C,15N f1,f2-filtered NOESY' _Sample_label $sample_1 save_ save_2D_13C,15N_f2-filtered_NOESY_16 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 13C,15N f2-filtered NOESY' _Sample_label $sample_1 save_ save_3D_13C,15N_f1-filtered_13C-edited_NOESY-HSQC_17 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C,15N f1-filtered 13C-edited NOESY-HSQC' _Sample_label $sample_1 save_ save_3D_13C,15N_f1-filtered_15N-edited_NOESY-HSQC_18 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C,15N f1-filtered 15N-edited NOESY-HSQC' _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 temperature 288 . K pH 7.5 . pH pressure 1 . atm 'ionic strength' 150 . mM 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 H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 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_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCACB' '3D H(CCO)NH' '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 'extended PDZ2 domain from NHERF1' _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 1 143 1 GLY HA2 H 3.735 0.05 2 2 143 1 GLY HA3 H 3.735 0.05 2 3 143 1 GLY H H 8.310 0.05 1 4 143 1 GLY C C 169.863 0.50 1 5 143 1 GLY CA C 42.969 0.50 1 6 143 1 GLY N N 109.071 0.10 1 7 144 2 ILE H H 8.393 0.05 1 8 144 2 ILE HA H 4.059 0.05 1 9 144 2 ILE HB H 1.677 0.05 1 10 144 2 ILE HG12 H 1.039 0.05 2 11 144 2 ILE HG13 H 1.304 0.05 2 12 144 2 ILE HG2 H 0.750 0.05 1 13 144 2 ILE HD1 H 0.721 0.05 1 14 144 2 ILE C C 175.668 0.50 1 15 144 2 ILE CA C 60.512 0.50 1 16 144 2 ILE CB C 38.645 0.50 1 17 144 2 ILE CG1 C 26.774 0.50 1 18 144 2 ILE CG2 C 17.370 0.50 1 19 144 2 ILE CD1 C 12.744 0.50 1 20 144 2 ILE N N 119.559 0.10 1 21 145 3 ASP H H 8.465 0.05 1 22 145 3 ASP HA H 4.746 0.05 1 23 145 3 ASP HB2 H 2.499 0.05 2 24 145 3 ASP HB3 H 2.679 0.05 2 25 145 3 ASP CA C 52.134 0.50 1 26 145 3 ASP CB C 40.975 0.50 1 27 145 3 ASP N N 126.392 0.10 1 28 146 4 PRO HA H 4.161 0.05 1 29 146 4 PRO HB2 H 1.399 0.05 2 30 146 4 PRO HB3 H 2.012 0.05 2 31 146 4 PRO HG2 H 1.525 0.05 2 32 146 4 PRO HG3 H 1.750 0.05 2 33 146 4 PRO HD2 H 3.642 0.05 2 34 146 4 PRO HD3 H 3.784 0.05 2 35 146 4 PRO C C 177.127 0.50 1 36 146 4 PRO CA C 63.309 0.50 1 37 146 4 PRO CB C 31.558 0.50 1 38 146 4 PRO CG C 26.568 0.50 1 39 146 4 PRO CD C 50.588 0.50 1 40 147 5 PHE H H 8.122 0.05 1 41 147 5 PHE HA H 4.419 0.05 1 42 147 5 PHE HB2 H 2.903 0.05 2 43 147 5 PHE HB3 H 3.045 0.05 2 44 147 5 PHE HD1 H 7.122 0.05 3 45 147 5 PHE HD2 H 7.122 0.05 3 46 147 5 PHE C C 175.977 0.50 1 47 147 5 PHE CA C 57.715 0.50 1 48 147 5 PHE CB C 38.435 0.50 1 49 147 5 PHE CD2 C 131.498 0.50 3 50 147 5 PHE N N 117.697 0.10 1 51 148 6 THR H H 7.487 0.05 1 52 148 6 THR HA H 3.997 0.05 1 53 148 6 THR HB H 4.061 0.05 1 54 148 6 THR HG2 H 1.097 0.05 1 55 148 6 THR C C 174.104 0.50 1 56 148 6 THR CA C 62.812 0.50 1 57 148 6 THR CB C 69.377 0.50 1 58 148 6 THR CG2 C 21.157 0.50 1 59 148 6 THR N N 112.938 0.10 1 60 149 7 MET H H 7.966 0.05 1 61 149 7 MET HA H 4.302 0.05 1 62 149 7 MET HB2 H 1.948 0.05 2 63 149 7 MET HB3 H 1.860 0.05 2 64 149 7 MET HG2 H 2.369 0.05 2 65 149 7 MET HG3 H 2.483 0.05 2 66 149 7 MET C C 175.705 0.50 1 67 149 7 MET CA C 55.202 0.50 1 68 149 7 MET CB C 31.850 0.50 1 69 149 7 MET CG C 31.835 0.50 1 70 149 7 MET N N 120.732 0.10 1 71 150 8 LEU H H 7.788 0.05 1 72 150 8 LEU HA H 4.534 0.05 1 73 150 8 LEU HB2 H 1.253 0.05 2 74 150 8 LEU HB3 H 1.255 0.05 2 75 150 8 LEU HG H 1.131 0.05 1 76 150 8 LEU HD1 H 0.495 0.05 2 77 150 8 LEU HD2 H 0.242 0.05 2 78 150 8 LEU C C 173.286 0.50 1 79 150 8 LEU CA C 54.157 0.50 1 80 150 8 LEU CB C 39.800 0.50 1 81 150 8 LEU CG C 25.733 0.50 1 82 150 8 LEU CD1 C 22.659 0.50 2 83 150 8 LEU CD2 C 25.207 0.50 2 84 150 8 LEU N N 123.707 0.10 1 85 151 9 ARG H H 6.912 0.05 1 86 151 9 ARG HA H 4.910 0.05 1 87 151 9 ARG HB2 H 1.474 0.05 2 88 151 9 ARG HB3 H 1.838 0.05 2 89 151 9 ARG HG2 H 1.650 0.05 2 90 151 9 ARG HG3 H 1.757 0.05 2 91 151 9 ARG HD2 H 2.956 0.05 2 92 151 9 ARG HD3 H 3.368 0.05 2 93 151 9 ARG HE H 7.409 0.05 1 94 151 9 ARG HH11 H 6.328 0.05 2 95 151 9 ARG HH12 H 6.328 0.05 2 96 151 9 ARG CA C 52.435 0.50 1 97 151 9 ARG CB C 32.082 0.50 1 98 151 9 ARG CG C 28.790 0.50 1 99 151 9 ARG CD C 42.998 0.50 1 100 151 9 ARG N N 113.035 0.10 1 101 152 10 PRO HA H 4.657 0.05 1 102 152 10 PRO HB2 H 1.454 0.05 2 103 152 10 PRO HB3 H 1.574 0.05 2 104 152 10 PRO HD2 H 3.476 0.05 2 105 152 10 PRO HD3 H 3.534 0.05 2 106 152 10 PRO C C 173.106 0.50 1 107 152 10 PRO CA C 62.142 0.50 1 108 152 10 PRO CB C 31.833 0.50 1 109 152 10 PRO CD C 50.095 0.50 1 110 153 11 ARG H H 8.423 0.05 1 111 153 11 ARG HA H 4.294 0.05 1 112 153 11 ARG HB2 H 1.034 0.05 2 113 153 11 ARG HB3 H 1.542 0.05 2 114 153 11 ARG HG2 H 1.256 0.05 2 115 153 11 ARG HG3 H 1.593 0.05 2 116 153 11 ARG HD2 H 2.836 0.05 2 117 153 11 ARG HD3 H 3.129 0.05 2 118 153 11 ARG HE H 6.757 0.05 1 119 153 11 ARG C C 173.640 0.50 1 120 153 11 ARG CA C 54.213 0.50 1 121 153 11 ARG CB C 32.628 0.50 1 122 153 11 ARG CG C 28.781 0.50 1 123 153 11 ARG CD C 42.521 0.50 1 124 153 11 ARG N N 116.260 0.10 1 125 153 11 ARG NE N 83.576 0.10 1 126 154 12 LEU H H 8.666 0.05 1 127 154 12 LEU HA H 4.947 0.05 1 128 154 12 LEU HB2 H 1.037 0.05 2 129 154 12 LEU HB3 H 1.817 0.05 2 130 154 12 LEU HG H 1.123 0.05 1 131 154 12 LEU HD1 H 0.549 0.05 2 132 154 12 LEU HD2 H 0.668 0.05 2 133 154 12 LEU C C 176.169 0.50 1 134 154 12 LEU CA C 52.883 0.50 1 135 154 12 LEU CB C 43.463 0.50 1 136 154 12 LEU CG C 26.990 0.50 1 137 154 12 LEU CD1 C 23.165 0.50 2 138 154 12 LEU CD2 C 25.472 0.50 2 139 154 12 LEU N N 124.350 0.10 1 140 155 13 CYS H H 9.357 0.05 1 141 155 13 CYS HA H 4.625 0.05 1 142 155 13 CYS HB2 H 2.293 0.05 2 143 155 13 CYS HB3 H 2.715 0.05 2 144 155 13 CYS C C 173.624 0.50 1 145 155 13 CYS CA C 57.461 0.50 1 146 155 13 CYS CB C 28.251 0.50 1 147 155 13 CYS N N 129.065 0.10 1 148 156 14 THR H H 8.926 0.05 1 149 156 14 THR HA H 3.975 0.05 1 150 156 14 THR HB H 3.932 0.05 1 151 156 14 THR HG2 H 1.023 0.05 1 152 156 14 THR C C 173.064 0.50 1 153 156 14 THR CA C 61.019 0.50 1 154 156 14 THR CB C 68.906 0.50 1 155 156 14 THR CG2 C 21.142 0.50 1 156 156 14 THR N N 122.778 0.10 1 157 157 15 MET H H 8.673 0.05 1 158 157 15 MET HA H 4.839 0.05 1 159 157 15 MET HB2 H 1.652 0.05 2 160 157 15 MET HB3 H 1.912 0.05 2 161 157 15 MET HG2 H 2.149 0.05 2 162 157 15 MET HG3 H 2.048 0.05 2 163 157 15 MET HE H 1.440 0.05 1 164 157 15 MET C C 173.000 0.50 1 165 157 15 MET CA C 54.186 0.50 1 166 157 15 MET CB C 37.924 0.50 1 167 157 15 MET CG C 32.288 0.50 1 168 157 15 MET CE C 18.111 0.50 1 169 157 15 MET N N 120.924 0.10 1 170 158 16 LYS H H 8.467 0.05 1 171 158 16 LYS HA H 5.139 0.05 1 172 158 16 LYS HB2 H 1.607 0.05 2 173 158 16 LYS HB3 H 1.780 0.05 2 174 158 16 LYS HG2 H 1.360 0.05 2 175 158 16 LYS HG3 H 1.408 0.05 2 176 158 16 LYS HD2 H 1.591 0.05 2 177 158 16 LYS HD3 H 1.591 0.05 2 178 158 16 LYS HE2 H 2.857 0.05 2 179 158 16 LYS HE3 H 2.857 0.05 2 180 158 16 LYS C C 175.785 0.50 1 181 158 16 LYS CA C 54.160 0.50 1 182 158 16 LYS CB C 34.413 0.50 1 183 158 16 LYS CG C 24.733 0.50 1 184 158 16 LYS CD C 28.795 0.50 1 185 158 16 LYS N N 122.084 0.10 1 186 159 17 LYS H H 8.383 0.05 1 187 159 17 LYS HA H 3.100 0.05 1 188 159 17 LYS HB2 H 1.193 0.05 2 189 159 17 LYS HB3 H 1.302 0.05 2 190 159 17 LYS HG3 H 0.490 0.05 2 191 159 17 LYS HD2 H 1.265 0.05 2 192 159 17 LYS HD3 H 1.328 0.05 2 193 159 17 LYS HE2 H 2.743 0.05 2 194 159 17 LYS HE3 H 2.794 0.05 2 195 159 17 LYS C C 177.176 0.50 1 196 159 17 LYS CA C 58.226 0.50 1 197 159 17 LYS CB C 33.330 0.50 1 198 159 17 LYS CD C 29.312 0.50 1 199 159 17 LYS CE C 41.471 0.50 1 200 159 17 LYS N N 123.393 0.10 1 201 160 18 GLY H H 7.297 0.05 1 202 160 18 GLY HA2 H 3.819 0.05 2 203 160 18 GLY HA3 H 4.512 0.05 2 204 160 18 GLY CA C 43.926 0.50 1 205 160 18 GLY N N 111.578 0.10 1 206 161 19 PRO HA H 4.192 0.05 1 207 161 19 PRO HB2 H 1.849 0.05 2 208 161 19 PRO HB3 H 2.247 0.05 2 209 161 19 PRO HG2 H 1.918 0.05 2 210 161 19 PRO HG3 H 1.983 0.05 2 211 161 19 PRO HD2 H 3.553 0.05 2 212 161 19 PRO HD3 H 3.654 0.05 2 213 161 19 PRO C C 177.874 0.50 1 214 161 19 PRO CA C 64.830 0.50 1 215 161 19 PRO CB C 31.863 0.50 1 216 161 19 PRO CG C 26.999 0.50 1 217 161 19 PRO CD C 49.423 0.50 1 218 162 20 SER H H 8.347 0.05 1 219 162 20 SER HA H 4.599 0.05 1 220 162 20 SER HB2 H 3.738 0.05 2 221 162 20 SER HB3 H 3.802 0.05 2 222 162 20 SER C C 173.944 0.50 1 223 162 20 SER CA C 56.213 0.50 1 224 162 20 SER CB C 63.011 0.50 1 225 162 20 SER N N 111.402 0.10 1 226 163 21 GLY H H 7.558 0.05 1 227 163 21 GLY HA2 H 3.060 0.05 2 228 163 21 GLY HA3 H 4.285 0.05 2 229 163 21 GLY C C 174.873 0.50 1 230 163 21 GLY CA C 43.987 0.50 1 231 163 21 GLY N N 108.788 0.10 1 232 164 22 TYR H H 11.816 0.05 1 233 164 22 TYR HA H 4.316 0.05 1 234 164 22 TYR HB2 H 2.600 0.05 2 235 164 22 TYR HB3 H 3.227 0.05 2 236 164 22 TYR HD1 H 6.746 0.05 3 237 164 22 TYR HD2 H 6.746 0.05 3 238 164 22 TYR HE1 H 6.441 0.05 3 239 164 22 TYR HE2 H 6.441 0.05 3 240 164 22 TYR C C 176.105 0.50 1 241 164 22 TYR CA C 61.019 0.50 1 242 164 22 TYR CB C 39.254 0.50 1 243 164 22 TYR CD2 C 132.177 0.50 3 244 164 22 TYR CE2 C 117.330 0.50 3 245 164 22 TYR N N 128.473 0.10 1 246 165 23 GLY H H 9.570 0.05 1 247 165 23 GLY HA2 H 3.671 0.05 2 248 165 23 GLY HA3 H 4.356 0.05 2 249 165 23 GLY C C 172.936 0.50 1 250 165 23 GLY CA C 46.038 0.50 1 251 165 23 GLY N N 106.640 0.10 1 252 166 24 PHE H H 7.868 0.05 1 253 166 24 PHE HA H 5.341 0.05 1 254 166 24 PHE HB2 H 2.552 0.05 2 255 166 24 PHE HB3 H 3.096 0.05 2 256 166 24 PHE HD1 H 6.687 0.05 3 257 166 24 PHE HD2 H 6.687 0.05 3 258 166 24 PHE HE1 H 6.719 0.05 3 259 166 24 PHE HE2 H 6.719 0.05 3 260 166 24 PHE HZ H 6.719 0.05 1 261 166 24 PHE C C 171.095 0.50 1 262 166 24 PHE CA C 55.189 0.50 1 263 166 24 PHE CB C 41.957 0.50 1 264 166 24 PHE CD2 C 132.366 0.50 3 265 166 24 PHE CE2 C 130.194 0.50 3 266 166 24 PHE CZ C 128.545 0.50 1 267 166 24 PHE N N 113.236 0.10 1 268 167 25 ASN H H 8.092 0.05 1 269 167 25 ASN HA H 5.293 0.05 1 270 167 25 ASN HB2 H 2.457 0.05 2 271 167 25 ASN HB3 H 2.620 0.05 2 272 167 25 ASN HD21 H 6.831 0.05 2 273 167 25 ASN HD22 H 7.073 0.05 2 274 167 25 ASN C C 173.464 0.50 1 275 167 25 ASN CA C 52.075 0.50 1 276 167 25 ASN CB C 41.025 0.50 1 277 167 25 ASN N N 117.363 0.10 1 278 167 25 ASN ND2 N 111.610 0.10 1 279 168 26 LEU H H 9.443 0.05 1 280 168 26 LEU HA H 5.067 0.05 1 281 168 26 LEU HB2 H 1.194 0.05 2 282 168 26 LEU HB3 H 1.911 0.05 2 283 168 26 LEU HG H 1.332 0.05 1 284 168 26 LEU HD1 H 0.272 0.05 2 285 168 26 LEU HD2 H 0.706 0.05 2 286 168 26 LEU C C 174.921 0.50 1 287 168 26 LEU CA C 53.434 0.50 1 288 168 26 LEU CB C 45.920 0.50 1 289 168 26 LEU CG C 25.360 0.50 1 290 168 26 LEU CD1 C 25.703 0.50 2 291 168 26 LEU CD2 C 25.254 0.50 2 292 168 26 LEU N N 128.844 0.10 1 293 169 27 HIS H H 10.383 0.05 1 294 169 27 HIS HA H 5.901 0.05 1 295 169 27 HIS HB2 H 3.084 0.05 2 296 169 27 HIS HB3 H 3.084 0.05 2 297 169 27 HIS HD2 H 7.102 0.05 1 298 169 27 HIS CA C 55.120 0.50 1 299 169 27 HIS CB C 33.452 0.50 1 300 169 27 HIS CD2 C 120.075 0.50 1 301 169 27 HIS CE1 C 138.805 0.50 1 302 169 27 HIS N N 127.508 0.10 1 303 170 28 SER H H 8.077 0.05 1 304 170 28 SER HA H 4.832 0.05 1 305 170 28 SER HB2 H 3.896 0.05 2 306 170 28 SER HB3 H 4.100 0.05 2 307 170 28 SER CA C 57.137 0.50 1 308 170 28 SER CB C 65.900 0.50 1 309 170 28 SER N N 119.111 0.10 1 310 171 29 ASP H H 9.406 0.05 1 311 171 29 ASP HA H 4.719 0.05 1 312 171 29 ASP HB2 H 2.821 0.05 2 313 171 29 ASP HB3 H 2.821 0.05 2 314 171 29 ASP C C 175.273 0.50 1 315 171 29 ASP CA C 53.974 0.50 1 316 171 29 ASP CB C 43.516 0.50 1 317 171 29 ASP N N 118.905 0.10 1 318 172 30 LYS H H 8.313 0.05 1 319 172 30 LYS HA H 4.098 0.05 1 320 172 30 LYS HB2 H 1.780 0.05 2 321 172 30 LYS HB3 H 1.750 0.05 2 322 172 30 LYS HG2 H 1.366 0.05 2 323 172 30 LYS HG3 H 1.401 0.05 2 324 172 30 LYS HD2 H 1.584 0.05 2 325 172 30 LYS HD3 H 1.584 0.05 2 326 172 30 LYS HE2 H 2.994 0.05 2 327 172 30 LYS HE3 H 3.018 0.05 2 328 172 30 LYS C C 177.466 0.50 1 329 172 30 LYS CA C 57.356 0.50 1 330 172 30 LYS CB C 31.840 0.50 1 331 172 30 LYS CG C 24.661 0.50 1 332 172 30 LYS N N 116.927 0.10 1 333 173 31 SER H H 8.923 0.05 1 334 173 31 SER HA H 4.126 0.05 1 335 173 31 SER HB2 H 3.826 0.05 2 336 173 31 SER HB3 H 3.794 0.05 2 337 173 31 SER C C 173.920 0.50 1 338 173 31 SER CA C 60.284 0.50 1 339 173 31 SER CB C 63.345 0.50 1 340 173 31 SER N N 116.386 0.10 1 341 174 32 LYS H H 7.476 0.05 1 342 174 32 LYS HA H 4.757 0.05 1 343 174 32 LYS HB2 H 1.650 0.05 2 344 174 32 LYS HB3 H 1.822 0.05 2 345 174 32 LYS HG2 H 1.233 0.05 2 346 174 32 LYS HG3 H 1.290 0.05 2 347 174 32 LYS HD2 H 1.401 0.05 2 348 174 32 LYS HE2 H 2.477 0.05 2 349 174 32 LYS HE3 H 2.546 0.05 2 350 174 32 LYS CA C 53.638 0.50 1 351 174 32 LYS CB C 33.365 0.50 1 352 174 32 LYS CG C 22.706 0.50 1 353 174 32 LYS CD C 29.029 0.50 1 354 174 32 LYS CE C 41.444 0.50 1 355 174 32 LYS N N 120.221 0.10 1 356 175 33 PRO HA H 4.567 0.05 1 357 175 33 PRO HB2 H 1.794 0.05 2 358 175 33 PRO HB3 H 2.220 0.05 2 359 175 33 PRO HG2 H 1.943 0.05 2 360 175 33 PRO HG3 H 2.028 0.05 2 361 175 33 PRO HD2 H 3.645 0.05 2 362 175 33 PRO HD3 H 3.781 0.05 2 363 175 33 PRO C C 177.128 0.50 1 364 175 33 PRO CA C 62.731 0.50 1 365 175 33 PRO CB C 31.842 0.50 1 366 175 33 PRO CG C 27.233 0.50 1 367 175 33 PRO CD C 50.605 0.50 1 368 176 34 GLY H H 8.360 0.05 1 369 176 34 GLY HA2 H 3.325 0.05 2 370 176 34 GLY HA3 H 4.203 0.05 2 371 176 34 GLY C C 175.577 0.50 1 372 176 34 GLY CA C 43.587 0.50 1 373 176 34 GLY N N 108.679 0.10 1 374 177 35 GLN HB2 H 1.857 0.05 2 375 177 35 GLN HB3 H 1.990 0.05 2 376 177 35 GLN HE21 H 6.376 0.05 2 377 177 35 GLN HE22 H 7.201 0.05 2 378 177 35 GLN C C 173.528 0.50 1 379 177 35 GLN CB C 28.251 0.50 1 380 177 35 GLN NE2 N 110.042 0.10 1 381 178 36 PHE H H 8.973 0.05 1 382 178 36 PHE HA H 5.213 0.05 1 383 178 36 PHE HB2 H 2.704 0.05 2 384 178 36 PHE HB3 H 2.704 0.05 2 385 178 36 PHE HD1 H 7.020 0.05 3 386 178 36 PHE HD2 H 7.020 0.05 3 387 178 36 PHE HE1 H 7.225 0.05 3 388 178 36 PHE HE2 H 7.225 0.05 3 389 178 36 PHE HZ H 7.237 0.05 1 390 178 36 PHE C C 175.465 0.50 1 391 178 36 PHE CA C 56.183 0.50 1 392 178 36 PHE CB C 43.242 0.50 1 393 178 36 PHE CD2 C 132.218 0.50 3 394 178 36 PHE CE2 C 131.342 0.50 3 395 178 36 PHE N N 119.974 0.10 1 396 179 37 ILE H H 9.238 0.05 1 397 179 37 ILE HA H 4.434 0.05 1 398 179 37 ILE HB H 2.326 0.05 1 399 179 37 ILE HG12 H 0.902 0.05 2 400 179 37 ILE HG13 H 1.377 0.05 2 401 179 37 ILE HG2 H 0.501 0.05 1 402 179 37 ILE HD1 H 0.228 0.05 1 403 179 37 ILE C C 175.977 0.50 1 404 179 37 ILE CA C 57.501 0.50 1 405 179 37 ILE CB C 34.065 0.50 1 406 179 37 ILE CG1 C 26.260 0.50 1 407 179 37 ILE CG2 C 19.139 0.50 1 408 179 37 ILE CD1 C 10.243 0.50 1 409 179 37 ILE N N 120.918 0.10 1 410 180 38 ARG H H 9.266 0.05 1 411 180 38 ARG HA H 4.216 0.05 1 412 180 38 ARG HB2 H 1.652 0.05 2 413 180 38 ARG HB3 H 1.652 0.05 2 414 180 38 ARG HG2 H 1.448 0.05 2 415 180 38 ARG HG3 H 1.464 0.05 2 416 180 38 ARG C C 175.881 0.50 1 417 180 38 ARG CA C 57.716 0.50 1 418 180 38 ARG CB C 31.303 0.50 1 419 180 38 ARG CG C 26.742 0.50 1 420 180 38 ARG N N 132.009 0.10 1 421 181 39 SER H H 7.396 0.05 1 422 181 39 SER HA H 4.445 0.05 1 423 181 39 SER HB2 H 3.769 0.05 2 424 181 39 SER HB3 H 3.747 0.05 2 425 181 39 SER C C 171.159 0.50 1 426 181 39 SER CA C 56.950 0.50 1 427 181 39 SER CB C 64.427 0.50 1 428 181 39 SER N N 107.702 0.10 1 429 182 40 VAL H H 8.567 0.05 1 430 182 40 VAL HA H 4.424 0.05 1 431 182 40 VAL HB H 1.734 0.05 1 432 182 40 VAL HG1 H 0.497 0.05 2 433 182 40 VAL HG2 H 0.663 0.05 2 434 182 40 VAL C C 175.401 0.50 1 435 182 40 VAL CA C 60.503 0.50 1 436 182 40 VAL CB C 34.399 0.50 1 437 182 40 VAL CG1 C 21.167 0.50 2 438 182 40 VAL CG2 C 21.137 0.50 2 439 182 40 VAL N N 120.045 0.10 1 440 183 41 ASP H H 9.201 0.05 1 441 183 41 ASP HA H 4.619 0.05 1 442 183 41 ASP HB2 H 2.562 0.05 2 443 183 41 ASP HB3 H 2.486 0.05 2 444 183 41 ASP CA C 52.170 0.50 1 445 183 41 ASP CB C 38.904 0.50 1 446 183 41 ASP N N 129.188 0.10 1 447 184 42 PRO HA H 4.455 0.05 1 448 184 42 PRO HB2 H 1.762 0.05 2 449 184 42 PRO HB3 H 2.251 0.05 2 450 184 42 PRO HG2 H 1.966 0.05 2 451 184 42 PRO HG3 H 2.028 0.05 2 452 184 42 PRO HD2 H 3.885 0.05 2 453 184 42 PRO HD3 H 3.578 0.05 2 454 184 42 PRO C C 176.962 0.50 1 455 184 42 PRO CA C 62.827 0.50 1 456 184 42 PRO CB C 31.492 0.50 1 457 184 42 PRO CG C 27.235 0.50 1 458 184 42 PRO CD C 50.524 0.50 1 459 185 43 ASP H H 9.120 0.05 1 460 185 43 ASP HA H 4.269 0.05 1 461 185 43 ASP HB2 H 2.686 0.05 2 462 185 43 ASP HB3 H 2.873 0.05 2 463 185 43 ASP C C 174.232 0.50 1 464 185 43 ASP CA C 55.427 0.50 1 465 185 43 ASP CB C 38.899 0.50 1 466 185 43 ASP N N 118.191 0.10 1 467 186 44 SER H H 7.242 0.05 1 468 186 44 SER HA H 4.782 0.05 1 469 186 44 SER HB2 H 3.765 0.05 2 470 186 44 SER HB3 H 3.765 0.05 2 471 186 44 SER HG H 6.456 0.05 1 472 186 44 SER CA C 56.207 0.50 1 473 186 44 SER CB C 64.983 0.50 1 474 186 44 SER N N 111.603 0.10 1 475 187 45 PRO HA H 4.401 0.05 1 476 187 45 PRO HB2 H 2.183 0.05 2 477 187 45 PRO HB3 H 2.860 0.05 2 478 187 45 PRO HG2 H 2.129 0.05 2 479 187 45 PRO HG3 H 2.432 0.05 2 480 187 45 PRO HD2 H 3.702 0.05 2 481 187 45 PRO HD3 H 3.918 0.05 2 482 187 45 PRO C C 180.215 0.50 1 483 187 45 PRO CA C 65.084 0.50 1 484 187 45 PRO CB C 32.861 0.50 1 485 187 45 PRO CG C 28.615 0.50 1 486 187 45 PRO CD C 50.134 0.50 1 487 188 46 ALA H H 8.415 0.05 1 488 188 46 ALA HA H 4.188 0.05 1 489 188 46 ALA HB H 1.296 0.05 1 490 188 46 ALA C C 179.738 0.50 1 491 188 46 ALA CA C 54.678 0.50 1 492 188 46 ALA CB C 19.113 0.50 1 493 188 46 ALA N N 118.124 0.10 1 494 189 47 GLU H H 8.362 0.05 1 495 189 47 GLU HA H 3.760 0.05 1 496 189 47 GLU HB2 H 2.181 0.05 2 497 189 47 GLU HB3 H 2.181 0.05 2 498 189 47 GLU HG2 H 2.127 0.05 2 499 189 47 GLU HG3 H 2.127 0.05 2 500 189 47 GLU C C 180.432 0.50 1 501 189 47 GLU CA C 59.726 0.50 1 502 189 47 GLU CB C 29.410 0.50 1 503 189 47 GLU CG C 36.647 0.50 1 504 189 47 GLU N N 122.627 0.10 1 505 190 48 ALA H H 8.345 0.05 1 506 190 48 ALA HA H 4.094 0.05 1 507 190 48 ALA HB H 1.491 0.05 1 508 190 48 ALA C C 178.842 0.50 1 509 190 48 ALA CA C 54.208 0.50 1 510 190 48 ALA CB C 17.643 0.50 1 511 190 48 ALA N N 122.464 0.10 1 512 191 49 SER H H 7.751 0.05 1 513 191 49 SER HA H 4.416 0.05 1 514 191 49 SER HB2 H 3.902 0.05 2 515 191 49 SER HB3 H 3.804 0.05 2 516 191 49 SER HG H 5.009 0.05 1 517 191 49 SER C C 174.793 0.50 1 518 191 49 SER CA C 59.740 0.50 1 519 191 49 SER CB C 64.613 0.50 1 520 191 49 SER N N 111.921 0.10 1 521 192 50 GLY H H 7.489 0.05 1 522 192 50 GLY HA2 H 3.577 0.05 2 523 192 50 GLY HA3 H 4.324 0.05 2 524 192 50 GLY C C 173.592 0.50 1 525 192 50 GLY CA C 44.543 0.50 1 526 192 50 GLY N N 107.554 0.10 1 527 193 51 LEU H H 7.071 0.05 1 528 193 51 LEU HA H 3.785 0.05 1 529 193 51 LEU HB2 H 0.941 0.05 2 530 193 51 LEU HB3 H 1.189 0.05 2 531 193 51 LEU HG H 1.230 0.05 1 532 193 51 LEU HD1 H -0.052 0.05 2 533 193 51 LEU HD2 H 0.488 0.05 2 534 193 51 LEU C C 175.288 0.50 1 535 193 51 LEU CA C 55.182 0.50 1 536 193 51 LEU CB C 43.512 0.50 1 537 193 51 LEU CG C 25.763 0.50 1 538 193 51 LEU CD1 C 25.757 0.50 2 539 193 51 LEU CD2 C 24.741 0.50 2 540 193 51 LEU N N 123.852 0.10 1 541 194 52 ARG H H 8.638 0.05 1 542 194 52 ARG HA H 4.510 0.05 1 543 194 52 ARG HB2 H 1.619 0.05 2 544 194 52 ARG HB3 H 1.619 0.05 2 545 194 52 ARG HG2 H 1.381 0.05 2 546 194 52 ARG HG3 H 1.507 0.05 2 547 194 52 ARG HD2 H 2.963 0.05 2 548 194 52 ARG HD3 H 3.146 0.05 2 549 194 52 ARG HE H 7.175 0.05 1 550 194 52 ARG HH11 H 6.839 0.05 2 551 194 52 ARG HH12 H 6.355 0.05 2 552 194 52 ARG C C 175.289 0.50 1 553 194 52 ARG CA C 53.858 0.50 1 554 194 52 ARG CB C 33.874 0.50 1 555 194 52 ARG CG C 26.729 0.50 1 556 194 52 ARG CD C 43.575 0.50 1 557 194 52 ARG N N 124.234 0.10 1 558 194 52 ARG NE N 84.976 0.10 1 559 195 53 ALA H H 8.565 0.05 1 560 195 53 ALA HA H 3.701 0.05 1 561 195 53 ALA HB H 1.275 0.05 1 562 195 53 ALA C C 179.226 0.50 1 563 195 53 ALA CA C 53.156 0.50 1 564 195 53 ALA CB C 17.616 0.50 1 565 195 53 ALA N N 121.931 0.10 1 566 196 54 GLN H H 9.628 0.05 1 567 196 54 GLN HA H 3.794 0.05 1 568 196 54 GLN HB2 H 2.320 0.05 2 569 196 54 GLN HB3 H 2.560 0.05 2 570 196 54 GLN HG2 H 2.336 0.05 2 571 196 54 GLN HG3 H 2.234 0.05 2 572 196 54 GLN HE21 H 6.720 0.05 2 573 196 54 GLN HE22 H 7.481 0.05 2 574 196 54 GLN C C 175.167 0.50 1 575 196 54 GLN CA C 58.233 0.50 1 576 196 54 GLN CB C 26.246 0.50 1 577 196 54 GLN CG C 33.880 0.50 1 578 196 54 GLN N N 114.928 0.10 1 579 196 54 GLN NE2 N 112.040 0.10 1 580 197 55 ASP H H 7.806 0.05 1 581 197 55 ASP HA H 4.668 0.05 1 582 197 55 ASP HB2 H 1.951 0.05 2 583 197 55 ASP HB3 H 2.646 0.05 2 584 197 55 ASP C C 174.377 0.50 1 585 197 55 ASP CA C 55.412 0.50 1 586 197 55 ASP CB C 41.515 0.50 1 587 197 55 ASP N N 120.697 0.10 1 588 198 56 ARG H H 8.726 0.05 1 589 198 56 ARG HA H 4.557 0.05 1 590 198 56 ARG HG2 H 0.129 0.05 2 591 198 56 ARG HG3 H 0.839 0.05 2 592 198 56 ARG HD3 H 3.044 0.05 2 593 198 56 ARG C C 176.552 0.50 1 594 198 56 ARG CA C 54.175 0.50 1 595 198 56 ARG CB C 33.088 0.50 1 596 198 56 ARG CG C 28.142 0.50 1 597 198 56 ARG N N 120.902 0.10 1 598 199 57 ILE H H 7.838 0.05 1 599 199 57 ILE HA H 3.605 0.05 1 600 199 57 ILE HB H 1.431 0.05 1 601 199 57 ILE HG12 H 0.607 0.05 2 602 199 57 ILE HG13 H 1.210 0.05 2 603 199 57 ILE HG2 H 0.435 0.05 1 604 199 57 ILE HD1 H 0.442 0.05 1 605 199 57 ILE C C 174.324 0.50 1 606 199 57 ILE CA C 62.029 0.50 1 607 199 57 ILE CB C 38.434 0.50 1 608 199 57 ILE CG1 C 27.741 0.50 1 609 199 57 ILE CG2 C 17.603 0.50 1 610 199 57 ILE CD1 C 14.216 0.50 1 611 199 57 ILE N N 123.523 0.10 1 612 200 58 VAL H H 9.072 0.05 1 613 200 58 VAL HA H 4.025 0.05 1 614 200 58 VAL HB H 1.484 0.05 1 615 200 58 VAL HG1 H 0.567 0.05 2 616 200 58 VAL HG2 H 0.894 0.05 2 617 200 58 VAL C C 175.826 0.50 1 618 200 58 VAL CA C 63.306 0.50 1 619 200 58 VAL CB C 33.082 0.50 1 620 200 58 VAL CG1 C 21.659 0.50 2 621 200 58 VAL CG2 C 21.650 0.50 2 622 200 58 VAL N N 126.127 0.10 1 623 201 59 GLU H H 7.643 0.05 1 624 201 59 GLU HA H 5.113 0.05 1 625 201 59 GLU HB2 H 1.352 0.05 2 626 201 59 GLU HB3 H 1.787 0.05 2 627 201 59 GLU HG2 H 2.111 0.05 2 628 201 59 GLU HG3 H 2.111 0.05 2 629 201 59 GLU C C 175.769 0.50 1 630 201 59 GLU CA C 54.194 0.50 1 631 201 59 GLU CB C 34.329 0.50 1 632 201 59 GLU CG C 35.349 0.50 1 633 201 59 GLU N N 114.466 0.10 1 634 202 60 VAL H H 7.922 0.05 1 635 202 60 VAL HA H 4.292 0.05 1 636 202 60 VAL HB H 1.659 0.05 1 637 202 60 VAL HG1 H 0.541 0.05 2 638 202 60 VAL HG2 H 0.681 0.05 2 639 202 60 VAL C C 176.150 0.50 1 640 202 60 VAL CA C 60.775 0.50 1 641 202 60 VAL CB C 33.841 0.50 1 642 202 60 VAL CG1 C 20.606 0.50 2 643 202 60 VAL CG2 C 20.657 0.50 2 644 202 60 VAL N N 118.048 0.10 1 645 203 61 ASN H H 9.834 0.05 1 646 203 61 ASN HA H 4.203 0.05 1 647 203 61 ASN HB2 H 2.752 0.05 2 648 203 61 ASN HB3 H 2.892 0.05 2 649 203 61 ASN HD21 H 7.779 0.05 2 650 203 61 ASN HD22 H 8.101 0.05 2 651 203 61 ASN C C 174.987 0.50 1 652 203 61 ASN CA C 54.172 0.50 1 653 203 61 ASN CB C 36.898 0.50 1 654 203 61 ASN N N 128.720 0.10 1 655 203 61 ASN ND2 N 116.534 0.10 1 656 204 62 GLY H H 9.132 0.05 1 657 204 62 GLY HA2 H 3.507 0.05 2 658 204 62 GLY HA3 H 3.892 0.05 2 659 204 62 GLY C C 173.416 0.50 1 660 204 62 GLY CA C 44.767 0.50 1 661 204 62 GLY N N 103.049 0.10 1 662 205 63 VAL H H 7.634 0.05 1 663 205 63 VAL HA H 3.974 0.05 1 664 205 63 VAL HB H 1.834 0.05 1 665 205 63 VAL HG1 H 0.766 0.05 2 666 205 63 VAL HG2 H 0.766 0.05 2 667 205 63 VAL C C 175.033 0.50 1 668 205 63 VAL CA C 61.238 0.50 1 669 205 63 VAL CB C 32.851 0.50 1 670 205 63 VAL CG1 C 20.694 0.50 2 671 205 63 VAL CG2 C 20.695 0.50 2 672 205 63 VAL N N 121.818 0.10 1 673 206 64 CYS H H 8.942 0.05 1 674 206 64 CYS HA H 4.197 0.05 1 675 206 64 CYS HB2 H 2.694 0.05 2 676 206 64 CYS HB3 H 3.092 0.05 2 677 206 64 CYS C C 175.950 0.50 1 678 206 64 CYS CA C 61.019 0.50 1 679 206 64 CYS CB C 27.257 0.50 1 680 206 64 CYS N N 127.514 0.10 1 681 207 65 MET H H 9.036 0.05 1 682 207 65 MET HA H 4.658 0.05 1 683 207 65 MET HB2 H 1.446 0.05 2 684 207 65 MET HB3 H 1.872 0.05 2 685 207 65 MET HG2 H 2.339 0.05 2 686 207 65 MET HG3 H 2.447 0.05 2 687 207 65 MET HE H 1.790 0.05 1 688 207 65 MET C C 176.864 0.50 1 689 207 65 MET CA C 53.000 0.50 1 690 207 65 MET CB C 32.825 0.50 1 691 207 65 MET CG C 32.377 0.50 1 692 207 65 MET CE C 19.131 0.50 1 693 207 65 MET N N 126.717 0.10 1 694 208 66 GLU H H 8.138 0.05 1 695 208 66 GLU HA H 4.109 0.05 1 696 208 66 GLU HB2 H 1.881 0.05 2 697 208 66 GLU HB3 H 1.918 0.05 2 698 208 66 GLU HG2 H 2.103 0.05 2 699 208 66 GLU HG3 H 2.149 0.05 2 700 208 66 GLU C C 178.090 0.50 1 701 208 66 GLU CA C 58.128 0.50 1 702 208 66 GLU CB C 29.320 0.50 1 703 208 66 GLU CG C 35.368 0.50 1 704 208 66 GLU N N 125.431 0.10 1 705 209 67 GLY H H 8.993 0.05 1 706 209 67 GLY HA2 H 3.670 0.05 2 707 209 67 GLY HA3 H 4.054 0.05 2 708 209 67 GLY C C 174.232 0.50 1 709 209 67 GLY CA C 45.492 0.50 1 710 209 67 GLY N N 113.877 0.10 1 711 210 68 LYS H H 7.437 0.05 1 712 210 68 LYS HA H 4.443 0.05 1 713 210 68 LYS HB2 H 1.870 0.05 2 714 210 68 LYS HB3 H 1.782 0.05 2 715 210 68 LYS HG2 H 1.130 0.05 2 716 210 68 LYS HG3 H 1.347 0.05 2 717 210 68 LYS HD2 H 1.510 0.05 2 718 210 68 LYS HD3 H 1.510 0.05 2 719 210 68 LYS HE2 H 2.857 0.05 2 720 210 68 LYS HE3 H 2.857 0.05 2 721 210 68 LYS CA C 54.257 0.50 1 722 210 68 LYS CB C 32.310 0.50 1 723 210 68 LYS CG C 25.244 0.50 1 724 210 68 LYS N N 118.740 0.10 1 725 211 69 GLN H H 8.887 0.05 1 726 211 69 GLN HA H 4.410 0.05 1 727 211 69 GLN HB2 H 1.864 0.05 2 728 211 69 GLN HB3 H 2.303 0.05 2 729 211 69 GLN HG2 H 2.350 0.05 2 730 211 69 GLN HG3 H 2.408 0.05 2 731 211 69 GLN HE21 H 6.845 0.05 2 732 211 69 GLN HE22 H 7.554 0.05 2 733 211 69 GLN C C 177.033 0.50 1 734 211 69 GLN CA C 54.135 0.50 1 735 211 69 GLN CB C 30.344 0.50 1 736 211 69 GLN CG C 33.592 0.50 1 737 211 69 GLN N N 117.177 0.10 1 738 211 69 GLN NE2 N 113.398 0.10 1 739 212 70 HIS H H 8.754 0.05 1 740 212 70 HIS HA H 3.482 0.05 1 741 212 70 HIS HB2 H 2.933 0.05 2 742 212 70 HIS HB3 H 3.134 0.05 2 743 212 70 HIS HD2 H 7.184 0.05 1 744 212 70 HIS HE1 H 7.582 0.05 1 745 212 70 HIS C C 177.441 0.50 1 746 212 70 HIS CA C 61.012 0.50 1 747 212 70 HIS CB C 30.335 0.50 1 748 212 70 HIS CD2 C 115.136 0.50 1 749 212 70 HIS CE1 C 137.975 0.50 1 750 212 70 HIS N N 122.337 0.10 1 751 213 71 GLY H H 9.122 0.05 1 752 213 71 GLY HA2 H 3.722 0.05 2 753 213 71 GLY HA3 H 3.860 0.05 2 754 213 71 GLY C C 176.698 0.50 1 755 213 71 GLY CA C 46.564 0.50 1 756 213 71 GLY N N 102.830 0.10 1 757 214 72 ASP H H 7.162 0.05 1 758 214 72 ASP HA H 4.344 0.05 1 759 214 72 ASP HB2 H 2.545 0.05 2 760 214 72 ASP HB3 H 2.894 0.05 2 761 214 72 ASP C C 178.635 0.50 1 762 214 72 ASP CA C 56.714 0.50 1 763 214 72 ASP CB C 40.978 0.50 1 764 214 72 ASP N N 120.107 0.10 1 765 215 73 VAL H H 7.398 0.05 1 766 215 73 VAL HA H 3.557 0.05 1 767 215 73 VAL HB H 1.759 0.05 1 768 215 73 VAL HG1 H 0.755 0.05 2 769 215 73 VAL HG2 H 0.576 0.05 2 770 215 73 VAL C C 177.386 0.50 1 771 215 73 VAL CA C 65.855 0.50 1 772 215 73 VAL CB C 31.315 0.50 1 773 215 73 VAL CG1 C 22.184 0.50 2 774 215 73 VAL CG2 C 21.656 0.50 2 775 215 73 VAL N N 122.322 0.10 1 776 216 74 VAL H H 8.001 0.05 1 777 216 74 VAL HA H 3.150 0.05 1 778 216 74 VAL HB H 1.914 0.05 1 779 216 74 VAL HG1 H 0.667 0.05 2 780 216 74 VAL HG2 H 0.848 0.05 2 781 216 74 VAL C C 178.154 0.50 1 782 216 74 VAL CA C 67.618 0.50 1 783 216 74 VAL CB C 31.787 0.50 1 784 216 74 VAL CG1 C 23.665 0.50 2 785 216 74 VAL CG2 C 21.166 0.50 2 786 216 74 VAL N N 119.039 0.10 1 787 217 75 SER H H 8.177 0.05 1 788 217 75 SER HA H 3.845 0.05 1 789 217 75 SER HB2 H 3.827 0.05 2 790 217 75 SER HB3 H 3.912 0.05 2 791 217 75 SER C C 176.661 0.50 1 792 217 75 SER CA C 61.808 0.50 1 793 217 75 SER CB C 62.299 0.50 1 794 217 75 SER N N 113.835 0.10 1 795 218 76 ALA H H 7.740 0.05 1 796 218 76 ALA HA H 4.089 0.05 1 797 218 76 ALA HB H 1.383 0.05 1 798 218 76 ALA C C 180.516 0.50 1 799 218 76 ALA CA C 54.680 0.50 1 800 218 76 ALA CB C 17.349 0.50 1 801 218 76 ALA N N 124.216 0.10 1 802 219 77 ILE H H 8.155 0.05 1 803 219 77 ILE HA H 3.417 0.05 1 804 219 77 ILE HB H 1.875 0.05 1 805 219 77 ILE HG12 H 0.843 0.05 2 806 219 77 ILE HG13 H 1.880 0.05 2 807 219 77 ILE HG2 H 0.855 0.05 1 808 219 77 ILE HD1 H 0.650 0.05 1 809 219 77 ILE C C 181.771 0.50 1 810 219 77 ILE CA C 64.846 0.50 1 811 219 77 ILE CB C 38.166 0.50 1 812 219 77 ILE CG1 C 29.280 0.50 1 813 219 77 ILE CG2 C 16.488 0.50 1 814 219 77 ILE CD1 C 14.047 0.50 1 815 219 77 ILE N N 118.575 0.10 1 816 220 78 ARG H H 8.818 0.05 1 817 220 78 ARG HA H 4.057 0.05 1 818 220 78 ARG HB2 H 1.814 0.05 2 819 220 78 ARG HB3 H 1.816 0.05 2 820 220 78 ARG HG2 H 1.783 0.05 2 821 220 78 ARG HG3 H 1.669 0.05 2 822 220 78 ARG HD2 H 3.040 0.05 2 823 220 78 ARG HD3 H 3.040 0.05 2 824 220 78 ARG HE H 6.907 0.05 1 825 220 78 ARG HH11 H 6.510 0.05 2 826 220 78 ARG HH12 H 6.510 0.05 2 827 220 78 ARG C C 178.362 0.50 1 828 220 78 ARG CA C 59.996 0.50 1 829 220 78 ARG CB C 29.526 0.50 1 830 220 78 ARG CG C 27.762 0.50 1 831 220 78 ARG CD C 43.046 0.50 1 832 220 78 ARG N N 123.404 0.10 1 833 220 78 ARG NE N 84.376 0.10 1 834 221 79 ALA H H 8.242 0.05 1 835 221 79 ALA HA H 4.107 0.05 1 836 221 79 ALA HB H 1.406 0.05 1 837 221 79 ALA C C 178.788 0.50 1 838 221 79 ALA CA C 54.186 0.50 1 839 221 79 ALA CB C 18.003 0.50 1 840 221 79 ALA N N 120.623 0.10 1 841 222 80 GLY H H 7.045 0.05 1 842 222 80 GLY HA2 H 4.162 0.05 2 843 222 80 GLY HA3 H 4.162 0.05 2 844 222 80 GLY C C 174.312 0.50 1 845 222 80 GLY CA C 45.020 0.50 1 846 222 80 GLY N N 101.804 0.10 1 847 223 81 GLY H H 7.689 0.05 1 848 223 81 GLY HA2 H 3.609 0.05 2 849 223 81 GLY HA3 H 4.111 0.05 2 850 223 81 GLY C C 174.502 0.50 1 851 223 81 GLY CA C 46.587 0.50 1 852 223 81 GLY N N 107.024 0.10 1 853 224 82 ASP H H 9.016 0.05 1 854 224 82 ASP HA H 4.514 0.05 1 855 224 82 ASP HB2 H 2.576 0.05 2 856 224 82 ASP HB3 H 2.908 0.05 2 857 224 82 ASP C C 173.432 0.50 1 858 224 82 ASP CA C 54.195 0.50 1 859 224 82 ASP CB C 40.940 0.50 1 860 224 82 ASP N N 127.759 0.10 1 861 225 83 GLU H H 7.304 0.05 1 862 225 83 GLU HA H 5.367 0.05 1 863 225 83 GLU HB2 H 1.857 0.05 2 864 225 83 GLU HB3 H 1.958 0.05 2 865 225 83 GLU HG2 H 2.114 0.05 2 866 225 83 GLU HG3 H 2.114 0.05 2 867 225 83 GLU C C 175.546 0.50 1 868 225 83 GLU CA C 54.674 0.50 1 869 225 83 GLU CB C 33.594 0.50 1 870 225 83 GLU CG C 35.410 0.50 1 871 225 83 GLU N N 117.594 0.10 1 872 226 84 THR H H 8.528 0.05 1 873 226 84 THR HA H 4.533 0.05 1 874 226 84 THR HB H 3.693 0.05 1 875 226 84 THR HG1 H 4.095 0.05 1 876 226 84 THR HG2 H 0.288 0.05 1 877 226 84 THR C C 170.743 0.50 1 878 226 84 THR CA C 62.334 0.50 1 879 226 84 THR CB C 70.329 0.50 1 880 226 84 THR CG2 C 18.105 0.50 1 881 226 84 THR N N 114.978 0.10 1 882 227 85 LYS H H 7.660 0.05 1 883 227 85 LYS HA H 4.976 0.05 1 884 227 85 LYS HB2 H 1.425 0.05 2 885 227 85 LYS HB3 H 1.660 0.05 2 886 227 85 LYS HG2 H 1.342 0.05 2 887 227 85 LYS HG3 H 1.323 0.05 2 888 227 85 LYS HD2 H 1.488 0.05 2 889 227 85 LYS HD3 H 1.488 0.05 2 890 227 85 LYS HE2 H 2.791 0.05 2 891 227 85 LYS HE3 H 2.791 0.05 2 892 227 85 LYS C C 175.202 0.50 1 893 227 85 LYS CA C 54.666 0.50 1 894 227 85 LYS CB C 34.368 0.50 1 895 227 85 LYS CG C 24.693 0.50 1 896 227 85 LYS CD C 29.298 0.50 1 897 227 85 LYS CE C 41.955 0.50 1 898 227 85 LYS N N 124.718 0.10 1 899 228 86 LEU H H 8.887 0.05 1 900 228 86 LEU HA H 5.002 0.05 1 901 228 86 LEU HB2 H 1.429 0.05 2 902 228 86 LEU HB3 H 0.832 0.05 2 903 228 86 LEU HG H 1.358 0.05 1 904 228 86 LEU HD1 H 0.615 0.05 2 905 228 86 LEU HD2 H 0.204 0.05 2 906 228 86 LEU C C 174.873 0.50 1 907 228 86 LEU CA C 52.124 0.50 1 908 228 86 LEU CB C 44.035 0.50 1 909 228 86 LEU CG C 26.207 0.50 1 910 228 86 LEU CD1 C 24.232 0.50 2 911 228 86 LEU CD2 C 25.705 0.50 2 912 228 86 LEU N N 124.405 0.10 1 913 229 87 LEU H H 8.489 0.05 1 914 229 87 LEU HA H 5.205 0.05 1 915 229 87 LEU HB2 H 1.320 0.05 2 916 229 87 LEU HB3 H 1.524 0.05 2 917 229 87 LEU HG H 1.005 0.05 1 918 229 87 LEU HD1 H 0.319 0.05 2 919 229 87 LEU HD2 H 0.535 0.05 2 920 229 87 LEU C C 176.281 0.50 1 921 229 87 LEU CA C 53.652 0.50 1 922 229 87 LEU CB C 43.518 0.50 1 923 229 87 LEU CG C 27.168 0.50 1 924 229 87 LEU CD1 C 24.727 0.50 2 925 229 87 LEU CD2 C 24.454 0.50 2 926 229 87 LEU N N 127.092 0.10 1 927 230 88 VAL H H 9.242 0.05 1 928 230 88 VAL HA H 5.439 0.05 1 929 230 88 VAL HB H 1.683 0.05 1 930 230 88 VAL HG1 H 0.413 0.05 2 931 230 88 VAL HG2 H 0.595 0.05 2 932 230 88 VAL C C 174.723 0.50 1 933 230 88 VAL CA C 57.977 0.50 1 934 230 88 VAL CB C 36.408 0.50 1 935 230 88 VAL CG1 C 20.659 0.50 2 936 230 88 VAL CG2 C 17.604 0.50 2 937 230 88 VAL N N 120.408 0.10 1 938 231 89 VAL H H 7.972 0.05 1 939 231 89 VAL HA H 4.799 0.05 1 940 231 89 VAL HB H 2.044 0.05 1 941 231 89 VAL HG1 H 0.661 0.05 2 942 231 89 VAL HG2 H 0.498 0.05 2 943 231 89 VAL C C 175.634 0.50 1 944 231 89 VAL CA C 59.694 0.50 1 945 231 89 VAL CB C 35.124 0.50 1 946 231 89 VAL CG1 C 17.340 0.50 2 947 231 89 VAL CG2 C 23.549 0.50 2 948 231 89 VAL N N 107.052 0.10 1 949 232 90 ASP H H 7.651 0.05 1 950 232 90 ASP HA H 4.736 0.05 1 951 232 90 ASP HB2 H 2.513 0.05 2 952 232 90 ASP HB3 H 3.259 0.05 2 953 232 90 ASP C C 175.513 0.50 1 954 232 90 ASP CA C 52.659 0.50 1 955 232 90 ASP CB C 40.948 0.50 1 956 232 90 ASP N N 121.802 0.10 1 957 233 91 ARG H H 8.989 0.05 1 958 233 91 ARG HA H 4.169 0.05 1 959 233 91 ARG HB2 H 1.840 0.05 2 960 233 91 ARG HB3 H 1.774 0.05 2 961 233 91 ARG HG2 H 1.638 0.05 2 962 233 91 ARG HG3 H 1.794 0.05 2 963 233 91 ARG HD2 H 3.124 0.05 2 964 233 91 ARG HD3 H 3.183 0.05 2 965 233 91 ARG HE H 7.327 0.05 1 966 233 91 ARG HH11 H 6.337 0.05 2 967 233 91 ARG HH12 H 6.883 0.05 2 968 233 91 ARG C C 179.154 0.50 1 969 233 91 ARG CA C 59.851 0.50 1 970 233 91 ARG CB C 29.784 0.50 1 971 233 91 ARG CG C 26.763 0.50 1 972 233 91 ARG CD C 43.002 0.50 1 973 233 91 ARG N N 120.219 0.10 1 974 233 91 ARG NE N 84.526 0.10 1 975 234 92 GLU H H 8.670 0.05 1 976 234 92 GLU HA H 3.936 0.05 1 977 234 92 GLU HB2 H 1.854 0.05 2 978 234 92 GLU HB3 H 1.983 0.05 2 979 234 92 GLU HG2 H 2.302 0.05 2 980 234 92 GLU HG3 H 2.227 0.05 2 981 234 92 GLU C C 180.161 0.50 1 982 234 92 GLU CA C 59.749 0.50 1 983 234 92 GLU CB C 28.733 0.50 1 984 234 92 GLU CG C 36.349 0.50 1 985 234 92 GLU N N 119.058 0.10 1 986 235 93 THR H H 8.479 0.05 1 987 235 93 THR HA H 3.872 0.05 1 988 235 93 THR HG1 H 6.087 0.05 1 989 235 93 THR HG2 H 1.040 0.05 1 990 235 93 THR C C 176.057 0.50 1 991 235 93 THR CA C 67.858 0.50 1 992 235 93 THR CG2 C 21.915 0.50 1 993 235 93 THR N N 120.004 0.10 1 994 236 94 ASP H H 8.768 0.05 1 995 236 94 ASP HA H 4.389 0.05 1 996 236 94 ASP HB2 H 2.791 0.05 2 997 236 94 ASP HB3 H 2.961 0.05 2 998 236 94 ASP C C 179.003 0.50 1 999 236 94 ASP CA C 56.769 0.50 1 1000 236 94 ASP CB C 41.215 0.50 1 1001 236 94 ASP N N 123.124 0.10 1 1002 237 95 GLU H H 8.171 0.05 1 1003 237 95 GLU HA H 3.854 0.05 1 1004 237 95 GLU HB2 H 2.070 0.05 2 1005 237 95 GLU HB3 H 2.012 0.05 2 1006 237 95 GLU HG2 H 2.323 0.05 2 1007 237 95 GLU HG3 H 2.406 0.05 2 1008 237 95 GLU C C 178.794 0.50 1 1009 237 95 GLU CA C 59.193 0.50 1 1010 237 95 GLU CB C 29.025 0.50 1 1011 237 95 GLU CG C 35.864 0.50 1 1012 237 95 GLU N N 115.596 0.10 1 1013 238 96 PHE H H 7.885 0.05 1 1014 238 96 PHE HA H 4.215 0.05 1 1015 238 96 PHE HB2 H 3.236 0.05 2 1016 238 96 PHE HB3 H 3.236 0.05 2 1017 238 96 PHE HD1 H 6.827 0.05 3 1018 238 96 PHE HD2 H 6.827 0.05 3 1019 238 96 PHE HE1 H 6.584 0.05 3 1020 238 96 PHE HE2 H 6.584 0.05 3 1021 238 96 PHE HZ H 7.036 0.05 1 1022 238 96 PHE C C 177.568 0.50 1 1023 238 96 PHE CA C 60.867 0.50 1 1024 238 96 PHE CB C 39.223 0.50 1 1025 238 96 PHE CD1 C 131.895 0.50 3 1026 238 96 PHE CE1 C 130.498 0.50 3 1027 238 96 PHE CZ C 130.404 0.50 1 1028 238 96 PHE N N 121.300 0.10 1 1029 239 97 PHE H H 8.720 0.05 1 1030 239 97 PHE HA H 3.245 0.05 1 1031 239 97 PHE HB2 H 2.926 0.05 2 1032 239 97 PHE HB3 H 3.468 0.05 2 1033 239 97 PHE HD1 H 7.257 0.05 3 1034 239 97 PHE HD2 H 7.257 0.05 3 1035 239 97 PHE HE1 H 6.491 0.05 3 1036 239 97 PHE HE2 H 6.491 0.05 3 1037 239 97 PHE HZ H 6.811 0.05 1 1038 239 97 PHE C C 178.810 0.50 1 1039 239 97 PHE CA C 64.323 0.50 1 1040 239 97 PHE CB C 36.429 0.50 1 1041 239 97 PHE CD2 C 130.858 0.50 3 1042 239 97 PHE CE2 C 130.788 0.50 3 1043 239 97 PHE CZ C 128.550 0.50 1 1044 239 97 PHE N N 119.966 0.10 1 1045 240 98 LYS H H 8.285 0.05 1 1046 240 98 LYS HA H 4.045 0.05 1 1047 240 98 LYS HB2 H 1.816 0.05 2 1048 240 98 LYS HB3 H 1.816 0.05 2 1049 240 98 LYS HG2 H 1.272 0.05 2 1050 240 98 LYS HG3 H 1.576 0.05 2 1051 240 98 LYS HE2 H 2.785 0.05 2 1052 240 98 LYS HE3 H 2.785 0.05 2 1053 240 98 LYS C C 181.410 0.50 1 1054 240 98 LYS CA C 59.745 0.50 1 1055 240 98 LYS CB C 31.865 0.50 1 1056 240 98 LYS CG C 25.728 0.50 1 1057 240 98 LYS N N 119.043 0.10 1 1058 241 99 LYS H H 7.841 0.05 1 1059 241 99 LYS HA H 3.990 0.05 1 1060 241 99 LYS HB2 H 1.807 0.05 2 1061 241 99 LYS HB3 H 1.934 0.05 2 1062 241 99 LYS HG2 H 1.396 0.05 2 1063 241 99 LYS HG3 H 1.577 0.05 2 1064 241 99 LYS HD2 H 1.602 0.05 2 1065 241 99 LYS HE2 H 2.865 0.05 2 1066 241 99 LYS HE3 H 2.865 0.05 2 1067 241 99 LYS C C 179.098 0.50 1 1068 241 99 LYS CA C 58.817 0.50 1 1069 241 99 LYS CB C 31.878 0.50 1 1070 241 99 LYS CG C 25.262 0.50 1 1071 241 99 LYS CD C 29.140 0.50 1 1072 241 99 LYS N N 121.170 0.10 1 1073 242 100 CYS H H 7.260 0.05 1 1074 242 100 CYS HA H 3.965 0.05 1 1075 242 100 CYS HB2 H 2.251 0.05 2 1076 242 100 CYS HB3 H 2.457 0.05 2 1077 242 100 CYS C C 173.262 0.50 1 1078 242 100 CYS CA C 60.244 0.50 1 1079 242 100 CYS CB C 26.756 0.50 1 1080 242 100 CYS N N 115.958 0.10 1 1081 243 101 ARG H H 7.760 0.05 1 1082 243 101 ARG HA H 3.714 0.05 1 1083 243 101 ARG HB2 H 1.725 0.05 2 1084 243 101 ARG HB3 H 1.970 0.05 2 1085 243 101 ARG HG2 H 1.293 0.05 2 1086 243 101 ARG HG3 H 1.424 0.05 2 1087 243 101 ARG HD2 H 2.819 0.05 2 1088 243 101 ARG HD3 H 2.610 0.05 2 1089 243 101 ARG HE H 6.865 0.05 1 1090 243 101 ARG HH11 H 6.146 0.05 2 1091 243 101 ARG HH12 H 6.460 0.05 2 1092 243 101 ARG C C 174.868 0.50 1 1093 243 101 ARG CA C 56.692 0.50 1 1094 243 101 ARG CB C 27.000 0.50 1 1095 243 101 ARG CG C 27.002 0.50 1 1096 243 101 ARG CD C 43.455 0.50 1 1097 243 101 ARG N N 115.392 0.10 1 1098 243 101 ARG NE N 84.903 0.10 1 1099 244 102 VAL H H 7.370 0.05 1 1100 244 102 VAL HA H 4.185 0.05 1 1101 244 102 VAL HB H 1.413 0.05 1 1102 244 102 VAL HG1 H 0.786 0.05 2 1103 244 102 VAL HG2 H 0.891 0.05 2 1104 244 102 VAL C C 174.930 0.50 1 1105 244 102 VAL CA C 60.258 0.50 1 1106 244 102 VAL CB C 36.667 0.50 1 1107 244 102 VAL CG1 C 21.169 0.50 2 1108 244 102 VAL CG2 C 21.359 0.50 2 1109 244 102 VAL N N 118.077 0.10 1 1110 245 103 ILE H H 8.516 0.05 1 1111 245 103 ILE HA H 4.187 0.05 1 1112 245 103 ILE HB H 1.706 0.05 1 1113 245 103 ILE HG12 H 1.118 0.05 2 1114 245 103 ILE HG13 H 1.433 0.05 2 1115 245 103 ILE HG2 H 0.778 0.05 1 1116 245 103 ILE HD1 H 0.670 0.05 1 1117 245 103 ILE CA C 57.724 0.50 1 1118 245 103 ILE CB C 37.950 0.50 1 1119 245 103 ILE CG1 C 27.242 0.50 1 1120 245 103 ILE CG2 C 16.069 0.50 1 1121 245 103 ILE CD1 C 11.513 0.50 1 1122 245 103 ILE N N 129.413 0.10 1 1123 246 104 PRO HA H 3.923 0.05 1 1124 246 104 PRO HB2 H 0.390 0.05 2 1125 246 104 PRO HB3 H 0.977 0.05 2 1126 246 104 PRO HG2 H 1.229 0.05 2 1127 246 104 PRO HG3 H 1.720 0.05 2 1128 246 104 PRO HD2 H 3.420 0.05 2 1129 246 104 PRO HD3 H 3.676 0.05 2 1130 246 104 PRO C C 175.060 0.50 1 1131 246 104 PRO CA C 62.304 0.50 1 1132 246 104 PRO CB C 30.320 0.50 1 1133 246 104 PRO CD C 50.024 0.50 1 1134 247 105 SER H H 10.684 0.05 1 1135 247 105 SER HA H 4.393 0.05 1 1136 247 105 SER HB2 H 3.527 0.05 2 1137 247 105 SER HB3 H 4.022 0.05 2 1138 247 105 SER C C 175.721 0.50 1 1139 247 105 SER CA C 56.216 0.50 1 1140 247 105 SER CB C 66.601 0.50 1 1141 247 105 SER N N 120.069 0.10 1 1142 248 106 GLN H H 8.590 0.05 1 1143 248 106 GLN HA H 3.645 0.05 1 1144 248 106 GLN HB2 H 2.029 0.05 2 1145 248 106 GLN HB3 H 2.031 0.05 2 1146 248 106 GLN HG2 H 2.175 0.05 2 1147 248 106 GLN HG3 H 2.357 0.05 2 1148 248 106 GLN HE21 H 6.567 0.05 2 1149 248 106 GLN HE22 H 7.872 0.05 2 1150 248 106 GLN C C 178.490 0.50 1 1151 248 106 GLN CA C 58.670 0.50 1 1152 248 106 GLN CB C 27.750 0.50 1 1153 248 106 GLN CG C 34.407 0.50 1 1154 248 106 GLN N N 119.175 0.10 1 1155 248 106 GLN NE2 N 112.313 0.10 1 1156 249 107 GLU H H 8.475 0.05 1 1157 249 107 GLU HA H 3.877 0.05 1 1158 249 107 GLU HB2 H 1.401 0.05 2 1159 249 107 GLU HB3 H 1.521 0.05 2 1160 249 107 GLU HG2 H 1.800 0.05 2 1161 249 107 GLU HG3 H 1.800 0.05 2 1162 249 107 GLU C C 177.306 0.50 1 1163 249 107 GLU CA C 57.819 0.50 1 1164 249 107 GLU CB C 28.314 0.50 1 1165 249 107 GLU CG C 34.872 0.50 1 1166 249 107 GLU N N 119.805 0.10 1 1167 250 108 HIS H H 7.448 0.05 1 1168 250 108 HIS HA H 4.413 0.05 1 1169 250 108 HIS HB2 H 2.942 0.05 2 1170 250 108 HIS HB3 H 3.489 0.05 2 1171 250 108 HIS C C 175.810 0.50 1 1172 250 108 HIS CA C 57.732 0.50 1 1173 250 108 HIS CB C 31.369 0.50 1 1174 250 108 HIS N N 115.351 0.10 1 1175 251 109 LEU H H 7.450 0.05 1 1176 251 109 LEU HA H 3.979 0.05 1 1177 251 109 LEU HB2 H 1.420 0.05 2 1178 251 109 LEU HB3 H 1.737 0.05 2 1179 251 109 LEU HG H 1.505 0.05 1 1180 251 109 LEU HD1 H 0.683 0.05 2 1181 251 109 LEU HD2 H 0.856 0.05 2 1182 251 109 LEU C C 177.466 0.50 1 1183 251 109 LEU CA C 57.736 0.50 1 1184 251 109 LEU CB C 41.475 0.50 1 1185 251 109 LEU CG C 27.242 0.50 1 1186 251 109 LEU CD1 C 23.154 0.50 2 1187 251 109 LEU CD2 C 25.731 0.50 2 1188 251 109 LEU N N 120.389 0.10 1 1189 252 110 ASN H H 7.981 0.05 1 1190 252 110 ASN HA H 4.730 0.05 1 1191 252 110 ASN HB2 H 2.450 0.05 2 1192 252 110 ASN HB3 H 2.647 0.05 2 1193 252 110 ASN HD21 H 6.833 0.05 2 1194 252 110 ASN HD22 H 7.556 0.05 2 1195 252 110 ASN C C 174.905 0.50 1 1196 252 110 ASN CA C 52.653 0.50 1 1197 252 110 ASN CB C 41.482 0.50 1 1198 252 110 ASN N N 111.936 0.10 1 1199 252 110 ASN ND2 N 113.873 0.10 1 1200 253 111 GLY H H 7.826 0.05 1 1201 253 111 GLY HA2 H 4.094 0.05 2 1202 253 111 GLY HA3 H 4.134 0.05 2 1203 253 111 GLY CA C 44.535 0.50 1 1204 253 111 GLY N N 107.861 0.10 1 1205 254 112 PRO HA H 4.311 0.05 1 1206 254 112 PRO HB2 H 1.753 0.05 2 1207 254 112 PRO HB3 H 2.193 0.05 2 1208 254 112 PRO HG2 H 1.903 0.05 2 1209 254 112 PRO HG3 H 1.974 0.05 2 1210 254 112 PRO HD2 H 3.540 0.05 2 1211 254 112 PRO HD3 H 3.544 0.05 2 1212 254 112 PRO C C 177.336 0.50 1 1213 254 112 PRO CA C 62.785 0.50 1 1214 254 112 PRO CB C 31.821 0.50 1 1215 254 112 PRO CG C 27.250 0.50 1 1216 254 112 PRO CD C 49.115 0.50 1 1217 255 113 LEU H H 8.323 0.05 1 1218 255 113 LEU HA H 4.620 0.05 1 1219 255 113 LEU HB2 H 1.414 0.05 2 1220 255 113 LEU HB3 H 1.617 0.05 2 1221 255 113 LEU HG H 1.688 0.05 1 1222 255 113 LEU HD1 H 1.141 0.05 2 1223 255 113 LEU HD2 H 0.760 0.05 2 1224 255 113 LEU CA C 52.194 0.50 1 1225 255 113 LEU CB C 41.441 0.50 1 1226 255 113 LEU CG C 27.198 0.50 1 1227 255 113 LEU CD1 C 23.173 0.50 2 1228 255 113 LEU CD2 C 25.690 0.50 2 1229 255 113 LEU N N 123.654 0.10 1 1230 256 114 PRO HA H 4.459 0.05 1 1231 256 114 PRO HB2 H 1.687 0.05 2 1232 256 114 PRO HB3 H 2.126 0.05 2 1233 256 114 PRO HG2 H 1.341 0.05 2 1234 256 114 PRO HG3 H 1.451 0.05 2 1235 256 114 PRO HD2 H 3.137 0.05 2 1236 256 114 PRO HD3 H 3.416 0.05 2 1237 256 114 PRO C C 172.792 0.50 1 1238 256 114 PRO CA C 61.817 0.50 1 1239 256 114 PRO CB C 31.557 0.50 1 1240 256 114 PRO CG C 26.141 0.50 1 1241 256 114 PRO CD C 49.590 0.50 1 1242 257 115 VAL H H 7.638 0.05 1 1243 257 115 VAL HA H 4.416 0.05 1 1244 257 115 VAL HB H 1.824 0.05 1 1245 257 115 VAL HG1 H 0.764 0.05 2 1246 257 115 VAL HG2 H 0.817 0.05 2 1247 257 115 VAL CA C 58.229 0.50 1 1248 257 115 VAL CB C 33.091 0.50 1 1249 257 115 VAL CG1 C 19.878 0.50 2 1250 257 115 VAL CG2 C 20.648 0.50 2 1251 257 115 VAL N N 114.359 0.10 1 1252 258 116 PRO HA H 3.951 0.05 1 1253 258 116 PRO HB2 H 1.623 0.05 2 1254 258 116 PRO HB3 H 1.853 0.05 2 1255 258 116 PRO HD2 H 3.580 0.05 2 1256 258 116 PRO HD3 H 3.580 0.05 2 1257 258 116 PRO C C 175.961 0.50 1 1258 258 116 PRO CA C 63.310 0.50 1 1259 258 116 PRO CB C 31.833 0.50 1 1260 258 116 PRO CG C 26.683 0.50 1 1261 258 116 PRO CD C 50.619 0.50 1 1262 259 117 PHE H H 7.916 0.05 1 1263 259 117 PHE HA H 4.401 0.05 1 1264 259 117 PHE HB2 H 2.937 0.05 2 1265 259 117 PHE HB3 H 2.937 0.05 2 1266 259 117 PHE HD1 H 7.125 0.05 3 1267 259 117 PHE HD2 H 7.125 0.05 3 1268 259 117 PHE HE1 H 7.265 0.05 3 1269 259 117 PHE HE2 H 7.265 0.05 3 1270 259 117 PHE C C 176.110 0.50 1 1271 259 117 PHE CA C 58.205 0.50 1 1272 259 117 PHE CB C 39.420 0.50 1 1273 259 117 PHE CD1 C 131.401 0.50 3 1274 259 117 PHE N N 121.701 0.10 1 1275 260 118 THR H H 8.030 0.05 1 1276 260 118 THR HA H 4.211 0.05 1 1277 260 118 THR HB H 4.051 0.05 1 1278 260 118 THR HG2 H 1.005 0.05 1 1279 260 118 THR C C 172.888 0.50 1 1280 260 118 THR CA C 60.812 0.50 1 1281 260 118 THR CB C 69.906 0.50 1 1282 260 118 THR CG2 C 21.021 0.50 1 1283 260 118 THR N N 116.561 0.10 1 1284 261 119 ASN H H 7.816 0.05 1 1285 261 119 ASN HA H 4.347 0.05 1 1286 261 119 ASN HB2 H 2.603 0.05 2 1287 261 119 ASN HB3 H 2.689 0.05 2 1288 261 119 ASN HD21 H 6.836 0.05 2 1289 261 119 ASN HD22 H 7.538 0.05 2 1290 261 119 ASN C C 176.057 0.50 1 1291 261 119 ASN CA C 54.417 0.50 1 1292 261 119 ASN CB C 40.457 0.50 1 1293 261 119 ASN N N 125.472 0.10 1 1294 261 119 ASN ND2 N 112.979 0.10 1 1295 262 120 GLY H H 8.257 0.05 1 1296 262 120 GLY HA2 H 3.799 0.05 2 1297 262 120 GLY HA3 H 3.802 0.05 2 1298 262 120 GLY C C 173.960 0.50 1 1299 262 120 GLY CA C 45.024 0.50 1 1300 262 120 GLY N N 113.570 0.10 1 1301 263 121 GLU H H 8.114 0.05 1 1302 263 121 GLU HA H 4.159 0.05 1 1303 263 121 GLU HB2 H 1.892 0.05 2 1304 263 121 GLU HB3 H 1.814 0.05 2 1305 263 121 GLU HG2 H 2.101 0.05 2 1306 263 121 GLU HG3 H 2.101 0.05 2 1307 263 121 GLU C C 176.537 0.50 1 1308 263 121 GLU CA C 56.225 0.50 1 1309 263 121 GLU CB C 29.819 0.50 1 1310 263 121 GLU CG C 36.120 0.50 1 1311 263 121 GLU N N 120.423 0.10 1 1312 264 122 ILE H H 8.135 0.05 1 1313 264 122 ILE HA H 3.968 0.05 1 1314 264 122 ILE HB H 1.709 0.05 1 1315 264 122 ILE HG12 H 1.056 0.05 2 1316 264 122 ILE HG13 H 1.356 0.05 2 1317 264 122 ILE HG2 H 0.739 0.05 1 1318 264 122 ILE HD1 H 0.724 0.05 1 1319 264 122 ILE C C 176.265 0.50 1 1320 264 122 ILE CA C 60.834 0.50 1 1321 264 122 ILE CB C 38.159 0.50 1 1322 264 122 ILE CG1 C 27.174 0.50 1 1323 264 122 ILE CG2 C 17.324 0.50 1 1324 264 122 ILE CD1 C 12.764 0.50 1 1325 264 122 ILE N N 122.115 0.10 1 1326 265 123 GLN H H 8.388 0.05 1 1327 265 123 GLN HA H 4.190 0.05 1 1328 265 123 GLN HB2 H 1.847 0.05 2 1329 265 123 GLN HB3 H 1.959 0.05 2 1330 265 123 GLN HG2 H 2.235 0.05 2 1331 265 123 GLN HG3 H 2.235 0.05 2 1332 265 123 GLN HE21 H 6.781 0.05 2 1333 265 123 GLN HE22 H 7.448 0.05 2 1334 265 123 GLN C C 175.769 0.50 1 1335 265 123 GLN CA C 55.682 0.50 1 1336 265 123 GLN CB C 29.021 0.50 1 1337 265 123 GLN CG C 33.420 0.50 1 1338 265 123 GLN N N 124.723 0.10 1 1339 265 123 GLN NE2 N 112.650 0.10 1 1340 266 124 LYS H H 8.317 0.05 1 1341 266 124 LYS HA H 4.154 0.05 1 1342 266 124 LYS HB2 H 1.712 0.05 2 1343 266 124 LYS HB3 H 1.643 0.05 2 1344 266 124 LYS HG2 H 1.291 0.05 2 1345 266 124 LYS HG3 H 1.332 0.05 2 1346 266 124 LYS HD3 H 1.714 0.05 2 1347 266 124 LYS HE2 H 2.880 0.05 2 1348 266 124 LYS HE3 H 2.880 0.05 2 1349 266 124 LYS C C 176.601 0.50 1 1350 266 124 LYS CA C 56.251 0.50 1 1351 266 124 LYS CB C 32.843 0.50 1 1352 266 124 LYS CG C 24.842 0.50 1 1353 266 124 LYS CE C 41.980 0.50 1 1354 266 124 LYS N N 123.366 0.10 1 1355 267 125 GLU H H 8.437 0.05 1 1356 267 125 GLU HA H 4.145 0.05 1 1357 267 125 GLU HB2 H 1.829 0.05 2 1358 267 125 GLU HB3 H 1.934 0.05 2 1359 267 125 GLU HG2 H 2.179 0.05 2 1360 267 125 GLU HG3 H 2.179 0.05 2 1361 267 125 GLU C C 176.185 0.50 1 1362 267 125 GLU CA C 56.225 0.50 1 1363 267 125 GLU CB C 29.584 0.50 1 1364 267 125 GLU CG C 35.479 0.50 1 1365 267 125 GLU N N 121.772 0.10 1 1366 268 126 ASN H H 8.446 0.05 1 1367 268 126 ASN HA H 4.615 0.05 1 1368 268 126 ASN HB2 H 2.650 0.05 2 1369 268 126 ASN HB3 H 2.746 0.05 2 1370 268 126 ASN HD21 H 6.870 0.05 2 1371 268 126 ASN HD22 H 7.564 0.05 2 1372 268 126 ASN C C 174.953 0.50 1 1373 268 126 ASN CA C 53.130 0.50 1 1374 268 126 ASN CB C 38.452 0.50 1 1375 268 126 ASN N N 119.545 0.10 1 1376 268 126 ASN ND2 N 112.538 0.10 1 1377 269 127 SER H H 8.173 0.05 1 1378 269 127 SER HA H 4.329 0.05 1 1379 269 127 SER HB2 H 3.764 0.05 2 1380 269 127 SER HB3 H 3.764 0.05 2 1381 269 127 SER C C 173.400 0.50 1 1382 269 127 SER CA C 58.357 0.50 1 1383 269 127 SER CB C 63.561 0.50 1 1384 269 127 SER N N 116.287 0.10 1 1385 270 128 ARG H H 7.915 0.05 1 1386 270 128 ARG HB2 H 1.605 0.05 2 1387 270 128 ARG HB3 H 1.737 0.05 2 1388 270 128 ARG CA C 57.489 0.50 1 1389 270 128 ARG CB C 31.127 0.50 1 1390 270 128 ARG N N 127.502 0.10 1 stop_ save_ save_assigned_chem_shift_list_1_2 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCACB' '3D H(CCO)NH' '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 'C-terminal CFTR peptide' _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 1 271 1 GLN HE21 H 7.357 0.05 2 2 271 1 GLN HE22 H 7.507 0.05 2 3 272 2 ASP H H 8.667 0.05 1 4 272 2 ASP HA H 3.947 0.05 1 5 272 2 ASP HB2 H 2.407 0.05 2 6 272 2 ASP HB3 H 2.727 0.05 2 7 273 3 THR H H 9.200 0.05 1 8 273 3 THR HA H 6.000 0.05 1 9 273 3 THR HB H 4.617 0.05 1 10 273 3 THR HG2 H 1.156 0.05 1 11 274 4 ARG H H 8.703 0.05 1 12 274 4 ARG HA H 4.230 0.05 1 13 274 4 ARG HB2 H 1.661 0.05 2 14 274 4 ARG HB3 H 1.757 0.05 2 15 274 4 ARG HG2 H 1.367 0.05 2 16 275 5 LEU H H 8.638 0.05 1 17 275 5 LEU HA H 4.307 0.05 1 18 275 5 LEU HB2 H 1.457 0.05 2 19 275 5 LEU HB3 H 1.234 0.05 2 20 275 5 LEU HD1 H 0.318 0.05 2 stop_ save_