data_16637 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution Structure of extended PDZ2 Domain from NHERF1 (150-270) ; _BMRB_accession_number 16637 _BMRB_flat_file_name bmr16637.str _Entry_type original _Submission_date 2009-12-18 _Accession_date 2009-12-18 _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 Dai Zhongping . . 3 Li Jianquan . . 4 Baxter Sabine . . 5 Callaway David J.E. . 6 Cowburn David . . 7 Bu Zimei . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 727 "13C chemical shifts" 495 "15N chemical shifts" 123 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-05-18 update BMRB 'complete entry citation' 2010-02-01 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title 'A conformational switch in the scaffolding protein NHERF1 controls autoinhibition and complex formation.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 20042604 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Bhattacharya Shibani . . 2 Dai Zhongping . . 3 Li Jianquan . . 4 Baxter Sabine . . 5 Callaway David J.E. . 6 Cowburn David . . 7 Bu Zimei . . stop_ _Journal_abbreviation 'J. Biol. Chem.' _Journal_name_full 'The Journal of biological chemistry' _Journal_volume 285 _Journal_issue 13 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 9981 _Page_last 9994 _Year 2010 _Details . loop_ _Keyword NHERF1 PDZ stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name PDZ2-270 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label PDZ2-270 $PDZ2-270 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_PDZ2-270 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common PDZ2-270 _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 2015-01-30 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 16638 NHERF1_(150-358) 100.00 216 100.00 100.00 1.99e-89 BMRB 18826 PDZ2 100.00 128 100.00 100.00 3.88e-88 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_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $PDZ2-270 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 $PDZ2-270 'recombinant technology' . Escherichia coli 'BL21 (DE3)' pET151/D-TOPO 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 $PDZ2-270 550 uM '[U-100% 13C; U-100% 15N]' HEPES 20 mM 'natural abundance' DTT 0.5 mM 'natural abundance' PMSF 0.1 mM 'natural abundance' 'sodium chloride' 150 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Saveframe_category software _Name CYANA _Version 1.3 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 'structure solution' 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' stop_ _Details . save_ 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_TALOS _Saveframe_category software _Name TALOS _Version . loop_ _Vendor _Address _Electronic_address 'Cornilescu, Delaglio and Bax' . . stop_ loop_ _Task 'Dihedral Angle Calculation' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 900 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_3D_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_H(CCO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C 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 pH 7.5 . pH pressure 1 . atm temperature 303 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 'liquid anhydrous ammonia' N 15 nitrogen ppm 0.00 na direct . . . 1.0 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_ _Software_label $CARA $TOPSPIN stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '3D HNCACB' '3D HCCH-TOCSY' '3D H(CCO)NH' 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 PDZ2-270 _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 1 144 2 ILE HA H 4.205 0.05 1 2 144 2 ILE HB H 1.816 0.05 1 3 144 2 ILE HD1 H 0.858 0.05 1 4 144 2 ILE HG12 H 1.190 0.05 2 5 144 2 ILE HG13 H 1.485 0.05 2 6 144 2 ILE HG2 H 0.890 0.05 1 7 144 2 ILE C C 175.685 0.30 1 8 144 2 ILE CA C 60.772 0.30 1 9 144 2 ILE CB C 38.925 0.30 1 10 144 2 ILE CD1 C 12.734 0.30 1 11 144 2 ILE CG1 C 27.214 0.30 1 12 144 2 ILE CG2 C 17.251 0.30 1 13 145 3 ASP H H 8.486 0.05 1 14 145 3 ASP HA H 4.898 0.05 1 15 145 3 ASP HB2 H 2.613 0.05 2 16 145 3 ASP HB3 H 2.782 0.05 2 17 145 3 ASP C C 177.819 0.30 1 18 145 3 ASP CA C 51.692 0.30 1 19 145 3 ASP CB C 41.481 0.30 1 20 145 3 ASP N N 126.367 0.10 1 21 146 4 PRO HA H 4.286 0.05 1 22 146 4 PRO HB2 H 1.527 0.05 2 23 146 4 PRO HB3 H 2.137 0.05 2 24 146 4 PRO HD2 H 3.768 0.05 2 25 146 4 PRO HD3 H 3.907 0.05 2 26 146 4 PRO HG2 H 1.667 0.05 2 27 146 4 PRO HG3 H 1.882 0.05 2 28 146 4 PRO C C 177.144 0.30 1 29 146 4 PRO CA C 63.561 0.30 1 30 146 4 PRO CB C 31.811 0.30 1 31 146 4 PRO CD C 50.638 0.30 1 32 146 4 PRO CG C 26.741 0.30 1 33 147 5 PHE H H 8.205 0.05 1 34 147 5 PHE HA H 4.548 0.05 1 35 147 5 PHE HB2 H 3.034 0.05 2 36 147 5 PHE HB3 H 3.190 0.05 2 37 147 5 PHE HD1 H 7.263 0.05 3 38 147 5 PHE HE1 H 7.384 0.05 3 39 147 5 PHE HE2 H 7.384 0.05 3 40 147 5 PHE C C 176.135 0.30 1 41 147 5 PHE CA C 57.732 0.30 1 42 147 5 PHE CB C 38.452 0.30 1 43 147 5 PHE CD1 C 131.624 0.30 3 44 147 5 PHE N N 117.699 0.10 1 45 148 6 THR H H 7.604 0.05 1 46 148 6 THR HA H 4.138 0.05 1 47 148 6 THR HB H 4.207 0.05 1 48 148 6 THR HG2 H 1.237 0.05 1 49 148 6 THR C C 174.332 0.30 1 50 148 6 THR CA C 62.886 0.30 1 51 148 6 THR CB C 69.440 0.30 1 52 148 6 THR N N 113.021 0.10 1 53 149 7 MET H H 8.032 0.05 1 54 149 7 MET HA H 4.439 0.05 1 55 149 7 MET HB2 H 1.994 0.05 2 56 149 7 MET HB3 H 2.086 0.05 2 57 149 7 MET HG2 H 2.509 0.05 2 58 149 7 MET HG3 H 2.619 0.05 2 59 149 7 MET C C 175.722 0.30 1 60 149 7 MET CA C 55.677 0.30 1 61 149 7 MET CB C 32.429 0.30 1 62 149 7 MET CG C 31.924 0.30 1 63 149 7 MET N N 120.717 0.10 1 64 150 8 LEU H H 7.843 0.05 1 65 150 8 LEU HA H 4.649 0.05 1 66 150 8 LEU HB2 H 1.396 0.05 2 67 150 8 LEU HB3 H 1.396 0.05 2 68 150 8 LEU HD1 H 0.627 0.05 2 69 150 8 LEU HD2 H 0.379 0.05 2 70 150 8 LEU HG H 1.272 0.05 1 71 150 8 LEU C C 173.353 0.30 1 72 150 8 LEU CA C 54.174 0.30 1 73 150 8 LEU CB C 39.980 0.30 1 74 150 8 LEU CD1 C 22.710 0.30 2 75 150 8 LEU CD2 C 25.238 0.30 2 76 150 8 LEU CG C 26.242 0.30 1 77 150 8 LEU N N 123.651 0.10 1 78 151 9 ARG H H 7.044 0.05 1 79 151 9 ARG HA H 5.041 0.05 1 80 151 9 ARG HB2 H 1.612 0.05 2 81 151 9 ARG HB3 H 1.980 0.05 2 82 151 9 ARG HD2 H 3.193 0.05 2 83 151 9 ARG HD3 H 3.510 0.05 2 84 151 9 ARG HE H 7.423 0.05 1 85 151 9 ARG HG2 H 1.780 0.05 2 86 151 9 ARG HG3 H 1.891 0.05 2 87 151 9 ARG HH11 H 6.342 0.05 2 88 151 9 ARG HH12 H 6.342 0.05 2 89 151 9 ARG CA C 52.681 0.30 1 90 151 9 ARG CB C 32.348 0.30 1 91 151 9 ARG CD C 43.015 0.30 1 92 151 9 ARG CG C 28.784 0.30 1 93 151 9 ARG N N 113.296 0.10 1 94 152 10 PRO HA H 4.858 0.05 1 95 152 10 PRO HB2 H 1.584 0.05 2 96 152 10 PRO HB3 H 1.728 0.05 2 97 152 10 PRO HD2 H 3.614 0.05 2 98 152 10 PRO HD3 H 3.664 0.05 2 99 152 10 PRO C C 173.123 0.30 1 100 152 10 PRO CA C 62.159 0.30 1 101 152 10 PRO CB C 31.850 0.30 1 102 152 10 PRO CD C 50.112 0.30 1 103 153 11 ARG H H 8.469 0.05 1 104 153 11 ARG HA H 4.387 0.05 1 105 153 11 ARG HB2 H 1.138 0.05 2 106 153 11 ARG HB3 H 1.716 0.05 2 107 153 11 ARG HD2 H 2.894 0.05 2 108 153 11 ARG HD3 H 3.266 0.05 2 109 153 11 ARG HG2 H 1.326 0.05 2 110 153 11 ARG HG3 H 1.792 0.05 2 111 153 11 ARG HH11 H 6.708 0.05 2 112 153 11 ARG HH12 H 6.708 0.05 2 113 153 11 ARG C C 173.850 0.30 1 114 153 11 ARG CA C 54.688 0.30 1 115 153 11 ARG CB C 33.249 0.30 1 116 153 11 ARG CD C 42.989 0.30 1 117 153 11 ARG CG C 29.687 0.30 1 118 153 11 ARG N N 116.662 0.10 1 119 154 12 LEU H H 8.732 0.05 1 120 154 12 LEU HA H 5.067 0.05 1 121 154 12 LEU HB2 H 1.985 0.05 2 122 154 12 LEU HB3 H 1.170 0.05 2 123 154 12 LEU HD1 H 0.675 0.05 2 124 154 12 LEU HD2 H 0.804 0.05 2 125 154 12 LEU HG H 1.268 0.05 1 126 154 12 LEU C C 173.866 0.30 1 127 154 12 LEU CA C 53.162 0.30 1 128 154 12 LEU CB C 43.495 0.30 1 129 154 12 LEU CD1 C 23.227 0.30 2 130 154 12 LEU CD2 C 25.712 0.30 2 131 154 12 LEU CG C 27.269 0.30 1 132 154 12 LEU N N 124.511 0.10 1 133 155 13 CYS H H 9.421 0.05 1 134 155 13 CYS HA H 4.757 0.05 1 135 155 13 CYS HB2 H 2.439 0.05 2 136 155 13 CYS HB3 H 2.940 0.05 2 137 155 13 CYS C C 173.818 0.30 1 138 155 13 CYS CA C 57.856 0.30 1 139 155 13 CYS CB C 28.441 0.30 1 140 155 13 CYS N N 129.358 0.10 1 141 156 14 THR H H 8.924 0.05 1 142 156 14 THR HA H 4.963 0.05 1 143 156 14 THR HB H 4.069 0.05 1 144 156 14 THR HG2 H 1.160 0.05 1 145 156 14 THR C C 173.401 0.30 1 146 156 14 THR CA C 61.299 0.30 1 147 156 14 THR CB C 69.391 0.30 1 148 156 14 THR CG2 C 21.159 0.30 1 149 156 14 THR N N 122.729 0.10 1 150 157 15 MET H H 8.879 0.05 1 151 157 15 MET HA H 4.932 0.05 1 152 157 15 MET HB2 H 1.900 0.05 2 153 157 15 MET HB3 H 2.073 0.05 2 154 157 15 MET HE H 1.647 0.05 1 155 157 15 MET HG2 H 2.283 0.05 2 156 157 15 MET HG3 H 2.281 0.05 2 157 157 15 MET C C 173.308 0.30 1 158 157 15 MET CA C 54.203 0.30 1 159 157 15 MET CB C 38.926 0.30 1 160 157 15 MET CE C 18.159 0.30 1 161 157 15 MET CG C 32.319 0.30 1 162 157 15 MET N N 121.742 0.10 1 163 158 16 LYS H H 8.522 0.05 1 164 158 16 LYS HA H 5.272 0.05 1 165 158 16 LYS HB2 H 1.737 0.05 2 166 158 16 LYS HB3 H 1.893 0.05 2 167 158 16 LYS HD2 H 1.721 0.05 2 168 158 16 LYS HD3 H 1.721 0.05 2 169 158 16 LYS HE2 H 3.061 0.05 2 170 158 16 LYS HG2 H 1.502 0.05 2 171 158 16 LYS HG3 H 1.501 0.05 2 172 158 16 LYS C C 175.984 0.30 1 173 158 16 LYS CA C 54.174 0.30 1 174 158 16 LYS CB C 34.592 0.30 1 175 158 16 LYS CD C 29.302 0.30 1 176 158 16 LYS CG C 24.750 0.30 1 177 158 16 LYS N N 122.097 0.10 1 178 159 17 LYS H H 8.488 0.05 1 179 159 17 LYS HA H 3.230 0.05 1 180 159 17 LYS HB2 H 1.329 0.05 2 181 159 17 LYS HB3 H 1.448 0.05 2 182 159 17 LYS HD2 H 1.330 0.05 2 183 159 17 LYS HD3 H 1.415 0.05 2 184 159 17 LYS HE2 H 2.730 0.05 2 185 159 17 LYS HE3 H 2.831 0.05 2 186 159 17 LYS HG2 H 0.605 0.05 2 187 159 17 LYS HG3 H 0.604 0.05 2 188 159 17 LYS C C 177.242 0.30 1 189 159 17 LYS CA C 58.254 0.30 1 190 159 17 LYS CB C 33.347 0.30 1 191 159 17 LYS CD C 29.350 0.30 1 192 159 17 LYS CE C 41.488 0.30 1 193 159 17 LYS CG C 24.715 0.30 1 194 159 17 LYS N N 123.168 0.10 1 195 160 18 GLY H H 7.179 0.05 1 196 160 18 GLY HA2 H 3.968 0.05 2 197 160 18 GLY HA3 H 4.592 0.05 2 198 160 18 GLY CA C 44.036 0.30 1 199 160 18 GLY N N 111.195 0.10 1 200 161 19 PRO HA H 4.318 0.05 1 201 161 19 PRO HB3 H 2.403 0.05 2 202 161 19 PRO HD2 H 3.677 0.05 2 203 161 19 PRO HD3 H 3.784 0.05 2 204 161 19 PRO HG2 H 2.093 0.05 2 205 161 19 PRO HG3 H 2.162 0.05 2 206 161 19 PRO C C 177.891 0.30 1 207 161 19 PRO CA C 64.858 0.30 1 208 161 19 PRO CB C 31.880 0.30 1 209 161 19 PRO CD C 49.585 0.30 1 210 162 20 SER H H 8.401 0.05 1 211 162 20 SER HB2 H 3.910 0.05 2 212 162 20 SER HB3 H 3.910 0.05 2 213 162 20 SER C C 175.833 0.30 1 214 162 20 SER CA C 56.654 0.30 1 215 162 20 SER CB C 64.397 0.30 1 216 162 20 SER N N 111.161 0.10 1 217 163 21 GLY H H 7.725 0.05 1 218 163 21 GLY HA2 H 3.272 0.05 2 219 163 21 GLY HA3 H 4.482 0.05 2 220 163 21 GLY CA C 44.030 0.30 1 221 163 21 GLY N N 108.388 0.10 1 222 164 22 TYR HA H 4.378 0.05 1 223 164 22 TYR HB2 H 2.540 0.05 2 224 164 22 TYR HB3 H 3.362 0.05 2 225 164 22 TYR HD1 H 6.857 0.05 3 226 164 22 TYR HD2 H 6.857 0.05 3 227 164 22 TYR HE1 H 6.637 0.05 3 228 164 22 TYR HE2 H 6.637 0.05 3 229 164 22 TYR CA C 60.802 0.30 1 230 164 22 TYR CB C 40.940 0.30 1 231 164 22 TYR CD1 C 132.349 0.30 3 232 164 22 TYR CE1 C 118.006 0.30 3 233 165 23 GLY H H 8.539 0.05 1 234 165 23 GLY HA2 H 3.908 0.05 2 235 165 23 GLY HA3 H 4.542 0.05 2 236 165 23 GLY CA C 45.059 0.30 1 237 165 23 GLY N N 102.617 0.10 1 238 166 24 PHE H H 6.795 0.05 1 239 166 24 PHE HA H 5.625 0.05 1 240 166 24 PHE HB2 H 2.592 0.05 2 241 166 24 PHE HB3 H 3.144 0.05 2 242 166 24 PHE HD1 H 6.784 0.05 3 243 166 24 PHE HD2 H 6.784 0.05 3 244 166 24 PHE HE1 H 6.890 0.05 3 245 166 24 PHE HE2 H 6.890 0.05 3 246 166 24 PHE HZ H 6.929 0.05 1 247 166 24 PHE C C 171.736 0.30 1 248 166 24 PHE CA C 54.458 0.30 1 249 166 24 PHE CB C 42.490 0.30 1 250 166 24 PHE CD1 C 131.933 0.30 3 251 166 24 PHE CE1 C 130.902 0.30 3 252 166 24 PHE CZ C 129.186 0.30 1 253 166 24 PHE N N 110.980 0.10 1 254 167 25 ASN H H 8.115 0.05 1 255 167 25 ASN HA H 5.143 0.05 1 256 167 25 ASN HB2 H 2.731 0.05 2 257 167 25 ASN HB3 H 2.785 0.05 2 258 167 25 ASN HD21 H 7.061 0.05 2 259 167 25 ASN HD22 H 7.305 0.05 2 260 167 25 ASN CA C 51.629 0.30 1 261 167 25 ASN CB C 41.517 0.30 1 262 167 25 ASN N N 117.806 0.10 1 263 167 25 ASN ND2 N 114.187 0.10 1 264 168 26 LEU H H 9.246 0.05 1 265 168 26 LEU HA H 5.326 0.05 1 266 168 26 LEU HB2 H 1.791 0.05 2 267 168 26 LEU HB3 H 1.931 0.05 2 268 168 26 LEU HD2 H 0.807 0.05 2 269 168 26 LEU CA C 54.224 0.30 1 270 168 26 LEU CB C 44.552 0.30 1 271 168 26 LEU CD2 C 24.704 0.30 2 272 168 26 LEU N N 124.397 0.10 1 273 169 27 HIS H H 9.390 0.05 1 274 169 27 HIS HA H 4.921 0.05 1 275 169 27 HIS HB2 H 3.161 0.05 2 276 169 27 HIS HB3 H 3.161 0.05 2 277 169 27 HIS HD2 H 6.831 0.05 1 278 169 27 HIS HE1 H 7.760 0.05 1 279 169 27 HIS CA C 56.226 0.30 1 280 169 27 HIS CB C 33.920 0.30 1 281 169 27 HIS CE1 C 138.822 0.30 1 282 169 27 HIS N N 120.489 0.10 1 283 170 28 SER HA H 4.699 0.05 1 284 170 28 SER HB2 H 3.821 0.05 2 285 170 28 SER HB3 H 3.915 0.05 2 286 170 28 SER CB C 64.357 0.30 1 287 171 29 ASP H H 9.114 0.05 1 288 171 29 ASP HA H 4.665 0.05 1 289 171 29 ASP HB2 H 2.387 0.05 2 290 171 29 ASP HB3 H 2.837 0.05 2 291 171 29 ASP CA C 53.180 0.30 1 292 171 29 ASP CB C 43.533 0.30 1 293 171 29 ASP N N 123.268 0.10 1 294 172 30 LYS HA H 4.141 0.05 1 295 172 30 LYS HB2 H 1.891 0.05 2 296 172 30 LYS HB3 H 1.891 0.05 2 297 172 30 LYS HE2 H 3.008 0.05 2 298 172 30 LYS HE3 H 3.032 0.05 2 299 172 30 LYS HG2 H 1.499 0.05 2 300 172 30 LYS HG3 H 1.499 0.05 2 301 172 30 LYS C C 177.314 0.30 1 302 172 30 LYS CB C 32.325 0.30 1 303 173 31 SER H H 8.804 0.05 1 304 173 31 SER HA H 4.437 0.05 1 305 173 31 SER HB2 H 3.903 0.05 2 306 173 31 SER HB3 H 3.903 0.05 2 307 173 31 SER C C 173.937 0.30 1 308 173 31 SER CA C 59.390 0.30 1 309 173 31 SER CB C 64.358 0.30 1 310 173 31 SER N N 114.719 0.10 1 311 174 32 LYS H H 7.809 0.05 1 312 174 32 LYS HA H 4.844 0.05 1 313 174 32 LYS HB2 H 1.712 0.05 2 314 174 32 LYS HB3 H 1.885 0.05 2 315 174 32 LYS HD2 H 1.576 0.05 2 316 174 32 LYS HE2 H 2.740 0.05 2 317 174 32 LYS HE3 H 2.740 0.05 2 318 174 32 LYS HG2 H 1.385 0.05 2 319 174 32 LYS HG3 H 1.385 0.05 2 320 174 32 LYS CA C 53.655 0.30 1 321 174 32 LYS CB C 33.382 0.30 1 322 174 32 LYS CG C 23.720 0.30 1 323 174 32 LYS N N 122.235 0.10 1 324 175 33 PRO HA H 4.606 0.05 1 325 175 33 PRO HB2 H 1.968 0.05 2 326 175 33 PRO HB3 H 2.324 0.05 2 327 175 33 PRO HD2 H 3.762 0.05 2 328 175 33 PRO HD3 H 3.838 0.05 2 329 175 33 PRO HG2 H 2.119 0.05 2 330 175 33 PRO C C 177.145 0.30 1 331 175 33 PRO CA C 62.828 0.30 1 332 175 33 PRO CB C 31.836 0.30 1 333 175 33 PRO CD C 50.518 0.30 1 334 176 34 GLY H H 8.298 0.05 1 335 176 34 GLY HA2 H 3.606 0.05 2 336 176 34 GLY HA3 H 4.203 0.05 2 337 176 34 GLY CA C 44.021 0.30 1 338 176 34 GLY N N 108.489 0.10 1 339 177 35 GLN H H 8.672 0.05 1 340 177 35 GLN HA H 4.808 0.05 1 341 177 35 GLN HB2 H 1.886 0.05 2 342 177 35 GLN HB3 H 1.886 0.05 2 343 177 35 GLN HE21 H 6.811 0.05 2 344 177 35 GLN HE22 H 7.363 0.05 2 345 177 35 GLN HG2 H 2.071 0.05 2 346 177 35 GLN HG3 H 2.241 0.05 2 347 177 35 GLN C C 173.805 0.30 1 348 177 35 GLN CA C 54.366 0.30 1 349 177 35 GLN CB C 29.769 0.30 1 350 177 35 GLN CG C 33.858 0.30 1 351 177 35 GLN N N 119.258 0.10 1 352 177 35 GLN NE2 N 112.495 0.10 1 353 178 36 PHE H H 8.769 0.05 1 354 178 36 PHE HA H 5.426 0.05 1 355 178 36 PHE HB2 H 2.761 0.05 2 356 178 36 PHE HD1 H 7.091 0.05 3 357 178 36 PHE HD2 H 7.091 0.05 3 358 178 36 PHE HE1 H 7.368 0.05 3 359 178 36 PHE HE2 H 7.368 0.05 3 360 178 36 PHE HZ H 7.251 0.05 1 361 178 36 PHE C C 175.722 0.30 1 362 178 36 PHE CA C 55.706 0.30 1 363 178 36 PHE CB C 42.968 0.30 1 364 178 36 PHE CD1 C 132.317 0.30 3 365 178 36 PHE CE1 C 131.638 0.30 3 366 178 36 PHE N N 120.723 0.10 1 367 179 37 ILE H H 9.176 0.05 1 368 179 37 ILE HA H 4.359 0.05 1 369 179 37 ILE HB H 2.404 0.05 1 370 179 37 ILE HD1 H 0.339 0.05 1 371 179 37 ILE HG12 H 1.106 0.05 2 372 179 37 ILE HG13 H 1.537 0.05 2 373 179 37 ILE HG2 H 0.737 0.05 1 374 179 37 ILE C C 176.701 0.30 1 375 179 37 ILE CA C 58.282 0.30 1 376 179 37 ILE CB C 35.289 0.30 1 377 179 37 ILE CD1 C 10.450 0.30 1 378 179 37 ILE CG1 C 26.765 0.30 1 379 179 37 ILE CG2 C 19.264 0.30 1 380 179 37 ILE N N 120.474 0.10 1 381 180 38 ARG H H 9.447 0.05 1 382 180 38 ARG HA H 4.080 0.05 1 383 180 38 ARG HB2 H 1.311 0.05 2 384 180 38 ARG HB3 H 1.548 0.05 2 385 180 38 ARG HD2 H 2.978 0.05 2 386 180 38 ARG HD3 H 3.075 0.05 2 387 180 38 ARG HG2 H 1.361 0.05 2 388 180 38 ARG HG3 H 1.472 0.05 2 389 180 38 ARG C C 175.850 0.30 1 390 180 38 ARG CA C 57.733 0.30 1 391 180 38 ARG CB C 30.858 0.30 1 392 180 38 ARG CD C 43.038 0.30 1 393 180 38 ARG CG C 26.755 0.30 1 394 180 38 ARG N N 132.094 0.10 1 395 181 39 SER H H 7.514 0.05 1 396 181 39 SER HA H 4.568 0.05 1 397 181 39 SER HB2 H 3.861 0.05 2 398 181 39 SER HB3 H 3.861 0.05 2 399 181 39 SER C C 171.324 0.30 1 400 181 39 SER CA C 56.734 0.30 1 401 181 39 SER CB C 64.849 0.30 1 402 181 39 SER N N 108.454 0.10 1 403 182 40 VAL H H 8.568 0.05 1 404 182 40 VAL HA H 4.634 0.05 1 405 182 40 VAL HB H 1.848 0.05 1 406 182 40 VAL HG1 H 0.639 0.05 2 407 182 40 VAL HG2 H 0.766 0.05 2 408 182 40 VAL C C 175.706 0.30 1 409 182 40 VAL CA C 60.746 0.30 1 410 182 40 VAL CB C 34.416 0.30 1 411 182 40 VAL CG1 C 21.184 0.30 2 412 182 40 VAL CG2 C 21.077 0.30 2 413 182 40 VAL N N 119.783 0.10 1 414 183 41 ASP H H 9.336 0.05 1 415 183 41 ASP HA H 4.851 0.05 1 416 183 41 ASP HB2 H 2.464 0.05 2 417 183 41 ASP HB3 H 2.719 0.05 2 418 183 41 ASP C C 174.810 0.30 1 419 183 41 ASP CA C 52.895 0.30 1 420 183 41 ASP CB C 39.436 0.30 1 421 183 41 ASP N N 129.471 0.10 1 422 184 42 PRO HA H 4.550 0.05 1 423 184 42 PRO HB2 H 1.895 0.05 2 424 184 42 PRO HB3 H 2.384 0.05 2 425 184 42 PRO HD2 H 4.004 0.05 2 426 184 42 PRO HD3 H 3.711 0.05 2 427 184 42 PRO HG2 H 2.141 0.05 2 428 184 42 PRO C C 176.979 0.30 1 429 184 42 PRO CA C 62.844 0.30 1 430 184 42 PRO CB C 31.826 0.30 1 431 184 42 PRO CD C 50.637 0.30 1 432 185 43 ASP H H 9.236 0.05 1 433 185 43 ASP HA H 4.382 0.05 1 434 185 43 ASP HB2 H 2.783 0.05 2 435 185 43 ASP HB3 H 2.990 0.05 2 436 185 43 ASP C C 174.499 0.30 1 437 185 43 ASP CA C 55.669 0.30 1 438 185 43 ASP CB C 39.036 0.30 1 439 185 43 ASP N N 118.522 0.10 1 440 186 44 SER H H 7.343 0.05 1 441 186 44 SER HA H 4.978 0.05 1 442 186 44 SER HB2 H 3.813 0.05 2 443 186 44 SER HB3 H 3.813 0.05 2 444 186 44 SER HG H 6.634 0.05 1 445 186 44 SER CA C 56.224 0.30 1 446 186 44 SER CB C 65.360 0.30 1 447 186 44 SER N N 111.544 0.10 1 448 187 45 PRO HA H 4.533 0.05 1 449 187 45 PRO HB2 H 2.314 0.05 2 450 187 45 PRO HB3 H 2.927 0.05 2 451 187 45 PRO HD2 H 3.857 0.05 2 452 187 45 PRO HD3 H 4.045 0.05 2 453 187 45 PRO HG2 H 2.249 0.05 2 454 187 45 PRO HG3 H 2.531 0.05 2 455 187 45 PRO C C 180.232 0.30 1 456 187 45 PRO CA C 65.364 0.30 1 457 187 45 PRO CB C 32.850 0.30 1 458 187 45 PRO CD C 50.656 0.30 1 459 187 45 PRO CG C 28.757 0.30 1 460 188 46 ALA H H 8.407 0.05 1 461 188 46 ALA HA H 4.398 0.05 1 462 188 46 ALA HB H 1.540 0.05 1 463 188 46 ALA CA C 54.695 0.30 1 464 188 46 ALA CB C 19.635 0.30 1 465 188 46 ALA N N 118.274 0.10 1 466 189 47 GLU H H 8.216 0.05 1 467 189 47 GLU HA H 3.896 0.05 1 468 189 47 GLU HB2 H 2.256 0.05 2 469 189 47 GLU HB3 H 2.346 0.05 2 470 189 47 GLU C C 180.449 0.30 1 471 189 47 GLU CA C 59.763 0.30 1 472 189 47 GLU CB C 29.807 0.30 1 473 189 47 GLU N N 122.327 0.10 1 474 190 48 ALA H H 8.319 0.05 1 475 190 48 ALA HA H 4.248 0.05 1 476 190 48 ALA HB H 1.620 0.05 1 477 190 48 ALA C C 179.021 0.30 1 478 190 48 ALA CA C 54.225 0.30 1 479 190 48 ALA CB C 17.937 0.30 1 480 190 48 ALA N N 122.340 0.10 1 481 191 49 SER H H 7.927 0.05 1 482 191 49 SER HA H 4.566 0.05 1 483 191 49 SER HB2 H 4.006 0.05 2 484 191 49 SER HB3 H 4.068 0.05 2 485 191 49 SER HG H 5.023 0.05 1 486 191 49 SER C C 174.956 0.30 1 487 191 49 SER CA C 59.791 0.30 1 488 191 49 SER CB C 64.836 0.30 1 489 191 49 SER N N 111.945 0.10 1 490 192 50 GLY H H 7.599 0.05 1 491 192 50 GLY HA2 H 3.744 0.05 2 492 192 50 GLY HA3 H 4.438 0.05 2 493 192 50 GLY C C 173.891 0.30 1 494 192 50 GLY CA C 45.042 0.30 1 495 192 50 GLY N N 107.785 0.10 1 496 193 51 LEU H H 7.253 0.05 1 497 193 51 LEU HA H 3.969 0.05 1 498 193 51 LEU HB2 H 1.218 0.05 2 499 193 51 LEU HB3 H 1.386 0.05 2 500 193 51 LEU HD1 H 0.366 0.05 2 501 193 51 LEU HD2 H 0.748 0.05 2 502 193 51 LEU HG H 1.480 0.05 1 503 193 51 LEU C C 175.306 0.30 1 504 193 51 LEU CA C 55.199 0.30 1 505 193 51 LEU CB C 43.575 0.30 1 506 193 51 LEU CD1 C 26.706 0.30 2 507 193 51 LEU CD2 C 25.348 0.30 2 508 193 51 LEU CG C 26.220 0.30 1 509 193 51 LEU N N 123.942 0.10 1 510 194 52 ARG H H 8.773 0.05 1 511 194 52 ARG HA H 4.640 0.05 1 512 194 52 ARG HB2 H 1.772 0.05 2 513 194 52 ARG HD2 H 3.110 0.05 2 514 194 52 ARG HD3 H 3.272 0.05 2 515 194 52 ARG HG2 H 1.534 0.05 2 516 194 52 ARG HG3 H 1.629 0.05 2 517 194 52 ARG C C 175.466 0.30 1 518 194 52 ARG CA C 54.144 0.30 1 519 194 52 ARG CB C 33.891 0.30 1 520 194 52 ARG CD C 44.025 0.30 1 521 194 52 ARG CG C 26.746 0.30 1 522 194 52 ARG N N 123.702 0.10 1 523 195 53 ALA H H 8.660 0.05 1 524 195 53 ALA HA H 3.707 0.05 1 525 195 53 ALA HB H 1.423 0.05 1 526 195 53 ALA C C 179.150 0.30 1 527 195 53 ALA CA C 53.540 0.30 1 528 195 53 ALA CB C 17.871 0.30 1 529 195 53 ALA N N 122.181 0.10 1 530 196 54 GLN H H 9.434 0.05 1 531 196 54 GLN HA H 3.995 0.05 1 532 196 54 GLN HB2 H 2.507 0.05 2 533 196 54 GLN HB3 H 2.613 0.05 2 534 196 54 GLN HE21 H 6.807 0.05 2 535 196 54 GLN HE22 H 7.528 0.05 2 536 196 54 GLN HG2 H 2.394 0.05 2 537 196 54 GLN HG3 H 2.395 0.05 2 538 196 54 GLN C C 175.254 0.30 1 539 196 54 GLN CA C 58.250 0.30 1 540 196 54 GLN CB C 26.263 0.30 1 541 196 54 GLN CG C 34.391 0.30 1 542 196 54 GLN N N 115.495 0.10 1 543 196 54 GLN NE2 N 111.640 0.10 1 544 197 55 ASP H H 7.836 0.05 1 545 197 55 ASP HA H 4.759 0.05 1 546 197 55 ASP HB2 H 2.096 0.05 2 547 197 55 ASP HB3 H 2.777 0.05 2 548 197 55 ASP C C 174.728 0.30 1 549 197 55 ASP CA C 55.429 0.30 1 550 197 55 ASP CB C 41.496 0.30 1 551 197 55 ASP N N 120.847 0.10 1 552 198 56 ARG H H 8.877 0.05 1 553 198 56 ARG HA H 4.526 0.05 1 554 198 56 ARG HB2 H 1.387 0.05 2 555 198 56 ARG HB3 H 1.594 0.05 2 556 198 56 ARG HD2 H 2.736 0.05 2 557 198 56 ARG HD3 H 3.076 0.05 2 558 198 56 ARG HE H 8.241 0.05 1 559 198 56 ARG HG2 H 0.186 0.05 2 560 198 56 ARG HG3 H 0.955 0.05 2 561 198 56 ARG HH11 H 7.291 0.05 2 562 198 56 ARG HH12 H 7.291 0.05 2 563 198 56 ARG C C 176.560 0.30 1 564 198 56 ARG CA C 54.192 0.30 1 565 198 56 ARG CB C 32.759 0.30 1 566 198 56 ARG CD C 43.023 0.30 1 567 198 56 ARG CG C 28.275 0.30 1 568 198 56 ARG N N 121.216 0.10 1 569 198 56 ARG NE N 116.836 0.10 1 570 199 57 ILE H H 8.081 0.05 1 571 199 57 ILE HA H 3.705 0.05 1 572 199 57 ILE HB H 1.510 0.05 1 573 199 57 ILE HD1 H 0.524 0.05 1 574 199 57 ILE HG12 H 0.580 0.05 2 575 199 57 ILE HG13 H 1.388 0.05 2 576 199 57 ILE HG2 H 0.560 0.05 1 577 199 57 ILE C C 174.341 0.30 1 578 199 57 ILE CA C 62.565 0.30 1 579 199 57 ILE CB C 38.655 0.30 1 580 199 57 ILE CD1 C 14.097 0.30 1 581 199 57 ILE CG1 C 27.796 0.30 1 582 199 57 ILE CG2 C 18.001 0.30 1 583 199 57 ILE N N 124.388 0.10 1 584 200 58 VAL H H 9.206 0.05 1 585 200 58 VAL HA H 4.088 0.05 1 586 200 58 VAL HB H 1.616 0.05 1 587 200 58 VAL HG1 H 0.697 0.05 2 588 200 58 VAL HG2 H 1.016 0.05 2 589 200 58 VAL C C 175.843 0.30 1 590 200 58 VAL CA C 63.323 0.30 1 591 200 58 VAL CB C 33.329 0.30 1 592 200 58 VAL CG1 C 21.676 0.30 2 593 200 58 VAL CG2 C 21.652 0.30 2 594 200 58 VAL N N 127.256 0.10 1 595 201 59 GLU H H 7.734 0.05 1 596 201 59 GLU HA H 5.214 0.05 1 597 201 59 GLU HB2 H 1.507 0.05 2 598 201 59 GLU HB3 H 1.897 0.05 2 599 201 59 GLU HG2 H 1.922 0.05 2 600 201 59 GLU HG3 H 2.086 0.05 2 601 201 59 GLU C C 175.956 0.30 1 602 201 59 GLU CA C 54.211 0.30 1 603 201 59 GLU CB C 34.865 0.30 1 604 201 59 GLU CG C 35.366 0.30 1 605 201 59 GLU N N 115.034 0.10 1 606 202 60 VAL H H 8.052 0.05 1 607 202 60 VAL HA H 4.462 0.05 1 608 202 60 VAL HB H 1.782 0.05 1 609 202 60 VAL HG1 H 0.693 0.05 2 610 202 60 VAL HG2 H 0.816 0.05 2 611 202 60 VAL C C 176.167 0.30 1 612 202 60 VAL CA C 60.792 0.30 1 613 202 60 VAL CB C 33.680 0.30 1 614 202 60 VAL CG1 C 20.673 0.30 2 615 202 60 VAL CG2 C 20.841 0.30 2 616 202 60 VAL N N 118.509 0.10 1 617 203 61 ASN H H 9.949 0.05 1 618 203 61 ASN HA H 4.308 0.05 1 619 203 61 ASN HB2 H 2.911 0.05 2 620 203 61 ASN HB3 H 3.005 0.05 2 621 203 61 ASN HD21 H 7.836 0.05 2 622 203 61 ASN HD22 H 8.168 0.05 2 623 203 61 ASN C C 175.114 0.30 1 624 203 61 ASN CA C 54.189 0.30 1 625 203 61 ASN CB C 36.915 0.30 1 626 203 61 ASN N N 128.254 0.10 1 627 203 61 ASN ND2 N 116.506 0.10 1 628 204 62 GLY H H 9.132 0.05 1 629 204 62 GLY HA2 H 3.628 0.05 2 630 204 62 GLY HA3 H 4.032 0.05 2 631 204 62 GLY C C 173.603 0.30 1 632 204 62 GLY CA C 45.046 0.30 1 633 204 62 GLY N N 103.209 0.10 1 634 205 63 VAL H H 7.801 0.05 1 635 205 63 VAL HA H 4.110 0.05 1 636 205 63 VAL HB H 1.995 0.05 1 637 205 63 VAL HG1 H 0.924 0.05 2 638 205 63 VAL HG2 H 0.907 0.05 2 639 205 63 VAL C C 175.290 0.30 1 640 205 63 VAL CA C 61.255 0.30 1 641 205 63 VAL CB C 32.732 0.30 1 642 205 63 VAL CG1 C 21.140 0.30 2 643 205 63 VAL CG2 C 21.105 0.30 2 644 205 63 VAL N N 122.062 0.10 1 645 206 64 CYS H H 8.974 0.05 1 646 206 64 CYS HA H 4.336 0.05 1 647 206 64 CYS HB2 H 2.827 0.05 2 648 206 64 CYS HB3 H 3.249 0.05 2 649 206 64 CYS C C 175.994 0.30 1 650 206 64 CYS CA C 61.277 0.30 1 651 206 64 CYS CB C 27.225 0.30 1 652 206 64 CYS N N 127.857 0.10 1 653 207 65 MET H H 9.198 0.05 1 654 207 65 MET HA H 4.841 0.05 1 655 207 65 MET HB2 H 1.614 0.05 2 656 207 65 MET HE H 1.925 0.05 1 657 207 65 MET HG2 H 2.468 0.05 2 658 207 65 MET HG3 H 2.595 0.05 2 659 207 65 MET C C 176.954 0.30 1 660 207 65 MET CA C 54.279 0.30 1 661 207 65 MET CB C 32.842 0.30 1 662 207 65 MET CE C 19.171 0.30 1 663 207 65 MET CG C 32.801 0.30 1 664 207 65 MET N N 126.844 0.10 1 665 208 66 GLU H H 8.253 0.05 1 666 208 66 GLU HA H 4.276 0.05 1 667 208 66 GLU HB2 H 2.016 0.05 2 668 208 66 GLU HG2 H 2.192 0.05 2 669 208 66 GLU HG3 H 2.273 0.05 2 670 208 66 GLU C C 178.091 0.30 1 671 208 66 GLU CA C 58.222 0.30 1 672 208 66 GLU CB C 29.251 0.30 1 673 208 66 GLU CG C 35.385 0.30 1 674 208 66 GLU N N 125.721 0.10 1 675 209 67 GLY H H 9.063 0.05 1 676 209 67 GLY HA2 H 3.789 0.05 2 677 209 67 GLY HA3 H 4.186 0.05 2 678 209 67 GLY C C 174.370 0.30 1 679 209 67 GLY CA C 45.509 0.30 1 680 209 67 GLY N N 114.236 0.10 1 681 210 68 LYS H H 7.612 0.05 1 682 210 68 LYS HA H 4.596 0.05 1 683 210 68 LYS HB2 H 1.935 0.05 2 684 210 68 LYS HB3 H 2.050 0.05 2 685 210 68 LYS HD2 H 1.664 0.05 2 686 210 68 LYS HE2 H 3.013 0.05 2 687 210 68 LYS HG2 H 1.268 0.05 2 688 210 68 LYS HG3 H 1.486 0.05 2 689 210 68 LYS C C 175.962 0.30 1 690 210 68 LYS CA C 54.675 0.30 1 691 210 68 LYS CB C 32.336 0.30 1 692 210 68 LYS CG C 25.261 0.30 1 693 210 68 LYS N N 118.910 0.10 1 694 211 69 GLN H H 9.047 0.05 1 695 211 69 GLN HA H 4.553 0.05 1 696 211 69 GLN HB2 H 2.460 0.05 2 697 211 69 GLN HB3 H 2.027 0.05 2 698 211 69 GLN HE21 H 6.916 0.05 2 699 211 69 GLN HE22 H 7.644 0.05 2 700 211 69 GLN HG2 H 2.499 0.05 2 701 211 69 GLN HG3 H 2.548 0.05 2 702 211 69 GLN C C 177.009 0.30 1 703 211 69 GLN CA C 54.350 0.30 1 704 211 69 GLN CB C 30.361 0.30 1 705 211 69 GLN CG C 33.830 0.30 1 706 211 69 GLN N N 118.521 0.10 1 707 211 69 GLN NE2 N 113.411 0.10 1 708 212 70 HIS H H 8.882 0.05 1 709 212 70 HIS HA H 3.923 0.05 1 710 212 70 HIS HB2 H 3.151 0.05 2 711 212 70 HIS HB3 H 3.283 0.05 2 712 212 70 HIS HD2 H 6.975 0.05 1 713 212 70 HIS HE1 H 7.655 0.05 1 714 212 70 HIS C C 177.458 0.30 1 715 212 70 HIS CA C 61.225 0.30 1 716 212 70 HIS CB C 30.798 0.30 1 717 212 70 HIS CE1 C 138.120 0.30 1 718 212 70 HIS N N 121.793 0.10 1 719 213 71 GLY H H 9.051 0.05 1 720 213 71 GLY HA2 H 3.749 0.05 2 721 213 71 GLY HA3 H 3.954 0.05 2 722 213 71 GLY C C 176.715 0.30 1 723 213 71 GLY CA C 46.747 0.30 1 724 213 71 GLY N N 103.733 0.10 1 725 214 72 ASP H H 7.368 0.05 1 726 214 72 ASP HA H 4.494 0.05 1 727 214 72 ASP HB2 H 2.644 0.05 2 728 214 72 ASP HB3 H 3.015 0.05 2 729 214 72 ASP C C 178.689 0.30 1 730 214 72 ASP CA C 56.731 0.30 1 731 214 72 ASP CB C 41.181 0.30 1 732 214 72 ASP N N 120.271 0.10 1 733 215 73 VAL H H 7.585 0.05 1 734 215 73 VAL HA H 3.762 0.05 1 735 215 73 VAL HB H 2.098 0.05 1 736 215 73 VAL HG1 H 0.779 0.05 2 737 215 73 VAL HG2 H 0.906 0.05 2 738 215 73 VAL C C 177.594 0.30 1 739 215 73 VAL CA C 66.371 0.30 1 740 215 73 VAL CB C 31.371 0.30 1 741 215 73 VAL CG1 C 21.609 0.30 2 742 215 73 VAL CG2 C 22.170 0.30 2 743 215 73 VAL N N 122.311 0.10 1 744 216 74 VAL H H 8.053 0.05 1 745 216 74 VAL HA H 3.501 0.05 1 746 216 74 VAL HB H 1.974 0.05 1 747 216 74 VAL HG1 H 0.815 0.05 2 748 216 74 VAL HG2 H 0.917 0.05 2 749 216 74 VAL C C 178.612 0.30 1 750 216 74 VAL CA C 66.879 0.30 1 751 216 74 VAL CB C 31.556 0.30 1 752 216 74 VAL CG1 C 22.188 0.30 2 753 216 74 VAL CG2 C 21.183 0.30 2 754 216 74 VAL N N 118.420 0.10 1 755 217 75 SER H H 8.145 0.05 1 756 217 75 SER HA H 4.155 0.05 1 757 217 75 SER HB2 H 3.969 0.05 2 758 217 75 SER HB3 H 4.052 0.05 2 759 217 75 SER C C 176.678 0.30 1 760 217 75 SER CA C 61.825 0.30 1 761 217 75 SER CB C 62.335 0.30 1 762 217 75 SER N N 115.226 0.10 1 763 218 76 ALA H H 7.843 0.05 1 764 218 76 ALA HA H 4.219 0.05 1 765 218 76 ALA HB H 1.524 0.05 1 766 218 76 ALA C C 180.619 0.30 1 767 218 76 ALA CA C 54.878 0.30 1 768 218 76 ALA CB C 17.612 0.30 1 769 218 76 ALA N N 124.873 0.10 1 770 219 77 ILE H H 8.293 0.05 1 771 219 77 ILE HA H 3.551 0.05 1 772 219 77 ILE HB H 2.024 0.05 1 773 219 77 ILE HD1 H 0.866 0.05 1 774 219 77 ILE HG12 H 0.961 0.05 2 775 219 77 ILE HG13 H 2.001 0.05 2 776 219 77 ILE HG2 H 1.029 0.05 1 777 219 77 ILE C C 181.393 0.30 1 778 219 77 ILE CA C 64.880 0.30 1 779 219 77 ILE CB C 38.514 0.30 1 780 219 77 ILE CD1 C 14.064 0.30 1 781 219 77 ILE CG1 C 29.348 0.30 1 782 219 77 ILE CG2 C 16.597 0.30 1 783 219 77 ILE N N 118.847 0.10 1 784 220 78 ARG H H 8.627 0.05 1 785 220 78 ARG HA H 4.171 0.05 1 786 220 78 ARG HB2 H 2.007 0.05 2 787 220 78 ARG HB3 H 2.047 0.05 2 788 220 78 ARG HD2 H 3.244 0.05 2 789 220 78 ARG HD3 H 3.246 0.05 2 790 220 78 ARG HG2 H 1.737 0.05 2 791 220 78 ARG HG3 H 1.893 0.05 2 792 220 78 ARG C C 178.379 0.30 1 793 220 78 ARG CA C 59.778 0.30 1 794 220 78 ARG CB C 29.854 0.30 1 795 220 78 ARG CD C 43.508 0.30 1 796 220 78 ARG CG C 27.261 0.30 1 797 220 78 ARG N N 123.847 0.10 1 798 221 79 ALA H H 8.217 0.05 1 799 221 79 ALA HA H 4.243 0.05 1 800 221 79 ALA HB H 1.562 0.05 1 801 221 79 ALA C C 178.805 0.30 1 802 221 79 ALA CA C 54.203 0.30 1 803 221 79 ALA CB C 18.112 0.30 1 804 221 79 ALA N N 120.762 0.10 1 805 222 80 GLY H H 7.249 0.05 1 806 222 80 GLY HA2 H 4.280 0.05 2 807 222 80 GLY HA3 H 4.301 0.05 2 808 222 80 GLY C C 174.499 0.30 1 809 222 80 GLY CA C 45.037 0.30 1 810 222 80 GLY N N 102.118 0.10 1 811 223 81 GLY H H 7.836 0.05 1 812 223 81 GLY HA2 H 3.748 0.05 2 813 223 81 GLY HA3 H 4.246 0.05 2 814 223 81 GLY C C 174.519 0.30 1 815 223 81 GLY CA C 46.604 0.30 1 816 223 81 GLY N N 107.279 0.10 1 817 224 82 ASP H H 9.065 0.05 1 818 224 82 ASP HA H 4.641 0.05 1 819 224 82 ASP HB2 H 2.680 0.05 2 820 224 82 ASP HB3 H 3.010 0.05 2 821 224 82 ASP C C 173.802 0.30 1 822 224 82 ASP CA C 54.678 0.30 1 823 224 82 ASP CB C 40.996 0.30 1 824 224 82 ASP N N 127.984 0.10 1 825 225 83 GLU H H 7.477 0.05 1 826 225 83 GLU HA H 5.467 0.05 1 827 225 83 GLU HB2 H 1.975 0.05 2 828 225 83 GLU HB3 H 2.084 0.05 2 829 225 83 GLU HG2 H 2.211 0.05 2 830 225 83 GLU HG3 H 2.211 0.05 2 831 225 83 GLU C C 175.563 0.30 1 832 225 83 GLU CA C 54.682 0.30 1 833 225 83 GLU CB C 33.878 0.30 1 834 225 83 GLU CG C 36.408 0.30 1 835 225 83 GLU N N 118.162 0.10 1 836 226 84 THR H H 8.738 0.05 1 837 226 84 THR HA H 4.701 0.05 1 838 226 84 THR HB H 3.832 0.05 1 839 226 84 THR HG1 H 4.109 0.05 1 840 226 84 THR HG2 H 0.497 0.05 1 841 226 84 THR C C 171.049 0.30 1 842 226 84 THR CA C 62.603 0.30 1 843 226 84 THR CB C 70.417 0.30 1 844 226 84 THR CG2 C 18.363 0.30 1 845 226 84 THR N N 116.153 0.10 1 846 227 85 LYS H H 7.845 0.05 1 847 227 85 LYS HA H 5.123 0.05 1 848 227 85 LYS HB2 H 1.565 0.05 2 849 227 85 LYS HB3 H 1.772 0.05 2 850 227 85 LYS HD2 H 1.618 0.05 2 851 227 85 LYS HD3 H 1.618 0.05 2 852 227 85 LYS HE2 H 2.932 0.05 2 853 227 85 LYS HE3 H 2.947 0.05 2 854 227 85 LYS HG2 H 1.447 0.05 2 855 227 85 LYS HG3 H 1.449 0.05 2 856 227 85 LYS C C 175.219 0.30 1 857 227 85 LYS CA C 54.683 0.30 1 858 227 85 LYS CB C 34.615 0.30 1 859 227 85 LYS CD C 29.315 0.30 1 860 227 85 LYS CE C 42.494 0.30 1 861 227 85 LYS CG C 24.710 0.30 1 862 227 85 LYS N N 125.309 0.10 1 863 228 86 LEU H H 8.911 0.05 1 864 228 86 LEU HA H 5.138 0.05 1 865 228 86 LEU HB2 H 0.966 0.05 2 866 228 86 LEU HB3 H 1.510 0.05 2 867 228 86 LEU HD1 H 0.685 0.05 2 868 228 86 LEU HD2 H 0.189 0.05 2 869 228 86 LEU HG H 1.409 0.05 1 870 228 86 LEU C C 175.103 0.30 1 871 228 86 LEU CA C 52.179 0.30 1 872 228 86 LEU CB C 44.558 0.30 1 873 228 86 LEU CD1 C 24.227 0.30 2 874 228 86 LEU CD2 C 25.534 0.30 2 875 228 86 LEU CG C 26.224 0.30 1 876 228 86 LEU N N 124.354 0.10 1 877 229 87 LEU H H 8.552 0.05 1 878 229 87 LEU HA H 5.358 0.05 1 879 229 87 LEU HB2 H 1.408 0.05 2 880 229 87 LEU HB3 H 1.680 0.05 2 881 229 87 LEU HD1 H 0.461 0.05 2 882 229 87 LEU HD2 H 0.668 0.05 2 883 229 87 LEU HG H 1.150 0.05 1 884 229 87 LEU C C 176.430 0.30 1 885 229 87 LEU CA C 53.678 0.30 1 886 229 87 LEU CB C 43.520 0.30 1 887 229 87 LEU CD1 C 25.209 0.30 2 888 229 87 LEU CD2 C 24.728 0.30 2 889 229 87 LEU CG C 27.242 0.30 1 890 229 87 LEU N N 127.170 0.10 1 891 230 88 VAL H H 9.348 0.05 1 892 230 88 VAL HA H 5.597 0.05 1 893 230 88 VAL HB H 1.821 0.05 1 894 230 88 VAL HG1 H 0.544 0.05 2 895 230 88 VAL HG2 H 0.741 0.05 2 896 230 88 VAL C C 174.853 0.30 1 897 230 88 VAL CA C 58.228 0.30 1 898 230 88 VAL CB C 36.891 0.30 1 899 230 88 VAL CG1 C 21.151 0.30 2 900 230 88 VAL CG2 C 17.919 0.30 2 901 230 88 VAL N N 120.457 0.10 1 902 231 89 VAL H H 8.074 0.05 1 903 231 89 VAL HA H 4.938 0.05 1 904 231 89 VAL HB H 2.174 0.05 1 905 231 89 VAL HG1 H 0.775 0.05 2 906 231 89 VAL HG2 H 0.625 0.05 2 907 231 89 VAL C C 175.651 0.30 1 908 231 89 VAL CA C 58.247 0.30 1 909 231 89 VAL CB C 35.390 0.30 1 910 231 89 VAL CG1 C 17.614 0.30 2 911 231 89 VAL CG2 C 23.697 0.30 2 912 231 89 VAL N N 107.201 0.10 1 913 232 90 ASP H H 7.670 0.05 1 914 232 90 ASP HA H 4.884 0.05 1 915 232 90 ASP HB2 H 2.660 0.05 2 916 232 90 ASP HB3 H 3.333 0.05 2 917 232 90 ASP C C 175.767 0.30 1 918 232 90 ASP CA C 52.676 0.30 1 919 232 90 ASP CB C 41.199 0.30 1 920 232 90 ASP N N 121.765 0.10 1 921 233 91 ARG H H 9.046 0.05 1 922 233 91 ARG HA H 4.300 0.05 1 923 233 91 ARG HB2 H 1.892 0.05 2 924 233 91 ARG HB3 H 1.997 0.05 2 925 233 91 ARG HD2 H 3.011 0.05 2 926 233 91 ARG HD3 H 3.304 0.05 2 927 233 91 ARG HG2 H 1.742 0.05 2 928 233 91 ARG HG3 H 1.880 0.05 2 929 233 91 ARG C C 179.174 0.30 1 930 233 91 ARG CA C 60.217 0.30 1 931 233 91 ARG CB C 29.801 0.30 1 932 233 91 ARG CD C 43.019 0.30 1 933 233 91 ARG CG C 26.769 0.30 1 934 233 91 ARG N N 120.823 0.10 1 935 234 92 GLU H H 8.755 0.05 1 936 234 92 GLU HA H 4.054 0.05 1 937 234 92 GLU HB2 H 1.980 0.05 2 938 234 92 GLU HB3 H 2.115 0.05 2 939 234 92 GLU HG2 H 2.328 0.05 2 940 234 92 GLU HG3 H 2.405 0.05 2 941 234 92 GLU C C 180.178 0.30 1 942 234 92 GLU CA C 59.802 0.30 1 943 234 92 GLU CB C 28.812 0.30 1 944 234 92 GLU CG C 36.925 0.30 1 945 234 92 GLU N N 119.241 0.10 1 946 235 93 THR H H 8.493 0.05 1 947 235 93 THR HA H 3.996 0.05 1 948 235 93 THR HB H 4.098 0.05 1 949 235 93 THR HG1 H 6.101 0.05 1 950 235 93 THR HG2 H 1.172 0.05 1 951 235 93 THR C C 175.690 0.30 1 952 235 93 THR CA C 67.875 0.30 1 953 235 93 THR CB C 67.886 0.30 1 954 235 93 THR CG2 C 22.150 0.30 1 955 235 93 THR N N 120.017 0.10 1 956 236 94 ASP H H 8.904 0.05 1 957 236 94 ASP HA H 4.495 0.05 1 958 236 94 ASP HB2 H 2.922 0.05 2 959 236 94 ASP HB3 H 3.084 0.05 2 960 236 94 ASP C C 179.020 0.30 1 961 236 94 ASP CA C 56.769 0.30 1 962 236 94 ASP CB C 41.453 0.30 1 963 236 94 ASP N N 123.206 0.10 1 964 237 95 GLU H H 8.339 0.05 1 965 237 95 GLU HA H 3.981 0.05 1 966 237 95 GLU HB2 H 2.178 0.05 2 967 237 95 GLU HB3 H 2.149 0.05 2 968 237 95 GLU HG2 H 2.435 0.05 2 969 237 95 GLU HG3 H 2.520 0.05 2 970 237 95 GLU C C 176.134 0.30 1 971 237 95 GLU CA C 59.252 0.30 1 972 237 95 GLU CB C 29.297 0.30 1 973 237 95 GLU CG C 36.406 0.30 1 974 237 95 GLU N N 116.047 0.10 1 975 238 96 PHE H H 8.005 0.05 1 976 238 96 PHE HA H 4.333 0.05 1 977 238 96 PHE HB2 H 3.352 0.05 2 978 238 96 PHE HB3 H 3.349 0.05 2 979 238 96 PHE HD1 H 6.946 0.05 3 980 238 96 PHE HD2 H 6.946 0.05 3 981 238 96 PHE HE1 H 6.724 0.05 3 982 238 96 PHE HE2 H 6.724 0.05 3 983 238 96 PHE HZ H 7.205 0.05 1 984 238 96 PHE C C 177.585 0.30 1 985 238 96 PHE CA C 61.284 0.30 1 986 238 96 PHE CB C 39.452 0.30 1 987 238 96 PHE CD1 C 131.912 0.30 3 988 238 96 PHE CE1 C 130.608 0.30 3 989 238 96 PHE CZ C 132.056 0.30 1 990 238 96 PHE N N 121.485 0.10 1 991 239 97 PHE H H 8.811 0.05 1 992 239 97 PHE HA H 3.391 0.05 1 993 239 97 PHE HB2 H 3.062 0.05 2 994 239 97 PHE HB3 H 3.584 0.05 2 995 239 97 PHE HD1 H 7.369 0.05 3 996 239 97 PHE HD2 H 7.369 0.05 3 997 239 97 PHE HE1 H 6.624 0.05 3 998 239 97 PHE HE2 H 6.624 0.05 3 999 239 97 PHE HZ H 6.946 0.05 1 1000 239 97 PHE C C 179.035 0.30 1 1001 239 97 PHE CA C 64.348 0.30 1 1002 239 97 PHE CB C 36.791 0.30 1 1003 239 97 PHE CD1 C 131.353 0.30 3 1004 239 97 PHE CE1 C 131.018 0.30 3 1005 239 97 PHE CZ C 128.806 0.30 1 1006 239 97 PHE N N 120.123 0.10 1 1007 240 98 LYS H H 8.406 0.05 1 1008 240 98 LYS HA H 4.168 0.05 1 1009 240 98 LYS HB2 H 1.879 0.05 2 1010 240 98 LYS HB3 H 1.976 0.05 2 1011 240 98 LYS HE2 H 2.933 0.05 2 1012 240 98 LYS HE3 H 2.933 0.05 2 1013 240 98 LYS HG2 H 1.409 0.05 2 1014 240 98 LYS HG3 H 1.682 0.05 2 1015 240 98 LYS C C 181.427 0.30 1 1016 240 98 LYS CA C 59.762 0.30 1 1017 240 98 LYS CB C 31.882 0.30 1 1018 240 98 LYS CG C 25.745 0.30 1 1019 240 98 LYS N N 119.315 0.10 1 1020 241 99 LYS H H 7.948 0.05 1 1021 241 99 LYS HA H 4.111 0.05 1 1022 241 99 LYS HB2 H 1.966 0.05 2 1023 241 99 LYS HB3 H 2.051 0.05 2 1024 241 99 LYS HD2 H 1.721 0.05 2 1025 241 99 LYS HE2 H 2.991 0.05 2 1026 241 99 LYS HE3 H 3.131 0.05 2 1027 241 99 LYS HG2 H 1.523 0.05 2 1028 241 99 LYS HG3 H 1.690 0.05 2 1029 241 99 LYS C C 179.115 0.30 1 1030 241 99 LYS CA C 59.017 0.30 1 1031 241 99 LYS CB C 32.310 0.30 1 1032 241 99 LYS CD C 29.298 0.30 1 1033 241 99 LYS CG C 25.244 0.30 1 1034 241 99 LYS N N 121.228 0.10 1 1035 242 100 CYS H H 7.352 0.05 1 1036 242 100 CYS HA H 4.083 0.05 1 1037 242 100 CYS HB2 H 2.395 0.05 2 1038 242 100 CYS HB3 H 2.594 0.05 2 1039 242 100 CYS C C 173.369 0.30 1 1040 242 100 CYS CA C 60.261 0.30 1 1041 242 100 CYS CB C 26.773 0.30 1 1042 242 100 CYS N N 116.087 0.10 1 1043 243 101 ARG H H 7.877 0.05 1 1044 243 101 ARG HA H 3.843 0.05 1 1045 243 101 ARG HB2 H 1.889 0.05 2 1046 243 101 ARG HB3 H 2.153 0.05 2 1047 243 101 ARG HD2 H 2.836 0.05 2 1048 243 101 ARG HD3 H 2.992 0.05 2 1049 243 101 ARG HE H 7.309 0.05 1 1050 243 101 ARG HG2 H 1.444 0.05 2 1051 243 101 ARG HG3 H 1.559 0.05 2 1052 243 101 ARG C C 174.954 0.30 1 1053 243 101 ARG CA C 56.709 0.30 1 1054 243 101 ARG CB C 27.254 0.30 1 1055 243 101 ARG CD C 43.533 0.30 1 1056 243 101 ARG CG C 27.283 0.30 1 1057 243 101 ARG N N 115.628 0.10 1 1058 244 102 VAL H H 7.485 0.05 1 1059 244 102 VAL HA H 4.324 0.05 1 1060 244 102 VAL HB H 1.559 0.05 1 1061 244 102 VAL HG1 H 0.911 0.05 2 1062 244 102 VAL HG2 H 1.022 0.05 2 1063 244 102 VAL C C 175.610 0.30 1 1064 244 102 VAL CA C 60.275 0.30 1 1065 244 102 VAL CB C 36.699 0.30 1 1066 244 102 VAL CG1 C 21.736 0.30 2 1067 244 102 VAL CG2 C 21.652 0.30 2 1068 244 102 VAL N N 118.193 0.10 1 1069 245 103 ILE H H 8.550 0.05 1 1070 245 103 ILE HA H 4.310 0.05 1 1071 245 103 ILE HB H 1.811 0.05 1 1072 245 103 ILE HD1 H 0.817 0.05 1 1073 245 103 ILE HG12 H 1.211 0.05 2 1074 245 103 ILE HG13 H 1.571 0.05 2 1075 245 103 ILE HG2 H 0.906 0.05 1 1076 245 103 ILE C C 174.138 0.30 1 1077 245 103 ILE CA C 57.741 0.30 1 1078 245 103 ILE CB C 38.341 0.30 1 1079 245 103 ILE CD1 C 12.020 0.30 1 1080 245 103 ILE CG1 C 27.715 0.30 1 1081 245 103 ILE CG2 C 16.144 0.30 1 1082 245 103 ILE N N 129.396 0.10 1 1083 246 104 PRO HA H 4.058 0.05 1 1084 246 104 PRO HB2 H 0.563 0.05 2 1085 246 104 PRO HB3 H 1.125 0.05 2 1086 246 104 PRO HD2 H 3.547 0.05 2 1087 246 104 PRO HD3 H 3.810 0.05 2 1088 246 104 PRO HG2 H 1.243 0.05 2 1089 246 104 PRO HG3 H 1.734 0.05 2 1090 246 104 PRO C C 175.077 0.30 1 1091 246 104 PRO CA C 62.321 0.30 1 1092 246 104 PRO CB C 30.754 0.30 1 1093 246 104 PRO CD C 50.116 0.30 1 1094 247 105 SER H H 10.748 0.05 1 1095 247 105 SER HA H 4.544 0.05 1 1096 247 105 SER HB2 H 3.669 0.05 2 1097 247 105 SER HB3 H 4.171 0.05 2 1098 247 105 SER C C 175.738 0.30 1 1099 247 105 SER CA C 56.233 0.30 1 1100 247 105 SER CB C 66.849 0.30 1 1101 247 105 SER N N 120.278 0.10 1 1102 248 106 GLN H H 8.908 0.05 1 1103 248 106 GLN HA H 3.784 0.05 1 1104 248 106 GLN HB2 H 2.113 0.05 2 1105 248 106 GLN HB3 H 2.189 0.05 2 1106 248 106 GLN HE21 H 6.661 0.05 2 1107 248 106 GLN HE22 H 8.135 0.05 2 1108 248 106 GLN HG2 H 2.255 0.05 2 1109 248 106 GLN HG3 H 2.538 0.05 2 1110 248 106 GLN C C 178.623 0.30 1 1111 248 106 GLN CA C 58.762 0.30 1 1112 248 106 GLN CB C 27.756 0.30 1 1113 248 106 GLN CG C 34.884 0.30 1 1114 248 106 GLN N N 119.511 0.10 1 1115 248 106 GLN NE2 N 112.670 0.10 1 1116 249 107 GLU H H 8.566 0.05 1 1117 249 107 GLU HA H 4.000 0.05 1 1118 249 107 GLU HB2 H 1.632 0.05 2 1119 249 107 GLU HB3 H 1.522 0.05 2 1120 249 107 GLU HG2 H 1.956 0.05 2 1121 249 107 GLU HG3 H 1.956 0.05 2 1122 249 107 GLU C C 177.610 0.30 1 1123 249 107 GLU CA C 58.250 0.30 1 1124 249 107 GLU CB C 28.815 0.30 1 1125 249 107 GLU CG C 35.576 0.30 1 1126 249 107 GLU N N 120.013 0.10 1 1127 250 108 HIS H H 7.545 0.05 1 1128 250 108 HIS HA H 4.541 0.05 1 1129 250 108 HIS HB2 H 3.084 0.05 2 1130 250 108 HIS HB3 H 3.617 0.05 2 1131 250 108 HIS HD2 H 7.300 0.05 1 1132 250 108 HIS HE1 H 7.710 0.05 1 1133 250 108 HIS C C 175.930 0.30 1 1134 250 108 HIS CA C 57.749 0.30 1 1135 250 108 HIS CB C 31.658 0.30 1 1136 250 108 HIS CD2 C 115.218 0.30 1 1137 250 108 HIS CE1 C 138.254 0.30 1 1138 250 108 HIS N N 115.563 0.10 1 1139 251 109 LEU H H 7.557 0.05 1 1140 251 109 LEU HA H 4.117 0.05 1 1141 251 109 LEU HB2 H 1.560 0.05 2 1142 251 109 LEU HB3 H 1.876 0.05 2 1143 251 109 LEU HD1 H 0.822 0.05 2 1144 251 109 LEU HD2 H 1.000 0.05 2 1145 251 109 LEU HG H 1.664 0.05 1 1146 251 109 LEU C C 177.678 0.30 1 1147 251 109 LEU CA C 57.756 0.30 1 1148 251 109 LEU CB C 41.492 0.30 1 1149 251 109 LEU CD1 C 23.151 0.30 2 1150 251 109 LEU CD2 C 25.748 0.30 2 1151 251 109 LEU CG C 27.259 0.30 1 1152 251 109 LEU N N 120.405 0.10 1 1153 252 110 ASN HA H 4.886 0.05 1 1154 252 110 ASN HB2 H 2.617 0.05 2 1155 252 110 ASN HB3 H 2.817 0.05 2 1156 252 110 ASN HD21 H 6.918 0.05 2 1157 252 110 ASN HD22 H 7.609 0.05 2 1158 252 110 ASN C C 175.053 0.30 1 1159 252 110 ASN CA C 52.683 0.30 1 1160 252 110 ASN CB C 41.482 0.30 1 1161 252 110 ASN ND2 N 113.817 0.10 1 1162 253 111 GLY H H 7.896 0.05 1 1163 253 111 GLY HA2 H 4.220 0.05 2 1164 253 111 GLY HA3 H 4.282 0.05 2 1165 253 111 GLY CA C 44.552 0.30 1 1166 253 111 GLY N N 107.996 0.10 1 1167 254 112 PRO HA H 4.446 0.05 1 1168 254 112 PRO HB2 H 1.924 0.05 2 1169 254 112 PRO HB3 H 2.329 0.05 2 1170 254 112 PRO HD2 H 3.680 0.05 2 1171 254 112 PRO HD3 H 3.831 0.05 2 1172 254 112 PRO HG2 H 2.044 0.05 2 1173 254 112 PRO HG3 H 2.106 0.05 2 1174 254 112 PRO C C 177.049 0.30 1 1175 254 112 PRO CA C 62.830 0.30 1 1176 254 112 PRO CB C 31.838 0.30 1 1177 254 112 PRO CD C 50.520 0.30 1 1178 254 112 PRO CG C 27.271 0.30 1 1179 255 113 LEU H H 8.346 0.05 1 1180 255 113 LEU HB2 H 1.738 0.05 2 1181 255 113 LEU HB3 H 1.549 0.05 2 1182 255 113 LEU HD1 H 1.253 0.05 2 1183 255 113 LEU HD2 H 0.890 0.05 2 1184 255 113 LEU HG H 1.821 0.05 1 1185 255 113 LEU C C 176.586 0.30 1 1186 255 113 LEU CA C 52.651 0.30 1 1187 255 113 LEU CB C 41.534 0.30 1 1188 255 113 LEU CD1 C 23.226 0.30 2 1189 255 113 LEU CD2 C 25.718 0.30 2 1190 255 113 LEU CG C 27.264 0.30 1 1191 255 113 LEU N N 123.465 0.10 1 1192 256 114 PRO HA H 4.580 0.05 1 1193 256 114 PRO HB2 H 1.815 0.05 2 1194 256 114 PRO HB3 H 2.250 0.05 2 1195 256 114 PRO HD2 H 3.267 0.05 2 1196 256 114 PRO HD3 H 3.552 0.05 2 1197 256 114 PRO HG2 H 1.481 0.05 2 1198 256 114 PRO HG3 H 1.588 0.05 2 1199 256 114 PRO C C 173.052 0.30 1 1200 256 114 PRO CA C 61.940 0.30 1 1201 256 114 PRO CB C 31.812 0.30 1 1202 256 114 PRO CD C 49.623 0.30 1 1203 256 114 PRO CG C 26.244 0.30 1 1204 257 115 VAL H H 7.695 0.05 1 1205 257 115 VAL HA H 4.547 0.05 1 1206 257 115 VAL HB H 1.941 0.05 1 1207 257 115 VAL HG1 H 0.899 0.05 2 1208 257 115 VAL HG2 H 0.954 0.05 2 1209 257 115 VAL C C 175.130 0.30 1 1210 257 115 VAL CA C 58.276 0.30 1 1211 257 115 VAL CB C 33.349 0.30 1 1212 257 115 VAL CG1 C 20.045 0.30 2 1213 257 115 VAL CG2 C 20.665 0.30 2 1214 257 115 VAL N N 114.589 0.10 1 1215 258 116 PRO HA H 4.122 0.05 1 1216 258 116 PRO HB2 H 1.793 0.05 2 1217 258 116 PRO HB3 H 1.995 0.05 2 1218 258 116 PRO HD2 H 3.723 0.05 2 1219 258 116 PRO CA C 63.327 0.30 1 1220 258 116 PRO CB C 32.076 0.30 1 1221 258 116 PRO CD C 50.636 0.30 1 1222 259 117 PHE H H 8.001 0.05 1 1223 259 117 PHE HA H 4.551 0.05 1 1224 259 117 PHE HB2 H 3.082 0.05 2 1225 259 117 PHE HB3 H 3.110 0.05 2 1226 259 117 PHE HD1 H 7.300 0.05 3 1227 259 117 PHE HD2 H 7.300 0.05 3 1228 259 117 PHE C C 176.127 0.30 1 1229 259 117 PHE CA C 58.056 0.30 1 1230 259 117 PHE CB C 39.437 0.30 1 1231 259 117 PHE N N 121.426 0.10 1 1232 260 118 THR H H 8.100 0.05 1 1233 260 118 THR HA H 4.376 0.05 1 1234 260 118 THR HB H 4.196 0.05 1 1235 260 118 THR HG2 H 1.138 0.05 1 1236 260 118 THR C C 173.927 0.30 1 1237 260 118 THR CA C 61.286 0.30 1 1238 260 118 THR CB C 69.923 0.30 1 1239 260 118 THR CG2 C 21.197 0.30 1 1240 260 118 THR N N 116.425 0.10 1 1241 261 119 ASN H H 7.908 0.05 1 1242 261 119 ASN HA H 4.482 0.05 1 1243 261 119 ASN HB2 H 2.729 0.05 2 1244 261 119 ASN HB3 H 2.824 0.05 2 1245 261 119 ASN HD21 H 6.850 0.05 2 1246 261 119 ASN HD22 H 7.529 0.05 2 1247 261 119 ASN C C 176.233 0.30 1 1248 261 119 ASN CA C 54.685 0.30 1 1249 261 119 ASN CB C 40.712 0.30 1 1250 261 119 ASN N N 125.457 0.10 1 1251 261 119 ASN ND2 N 112.399 0.10 1 1252 262 120 GLY H H 8.298 0.05 1 1253 262 120 GLY HA2 H 3.949 0.05 2 1254 262 120 GLY C C 174.497 0.30 1 1255 262 120 GLY CA C 45.039 0.30 1 1256 262 120 GLY N N 113.663 0.10 1 1257 263 121 GLU H H 8.227 0.05 1 1258 263 121 GLU HA H 4.299 0.05 1 1259 263 121 GLU HB2 H 1.945 0.05 2 1260 263 121 GLU HB3 H 2.030 0.05 2 1261 263 121 GLU HG2 H 2.257 0.05 2 1262 263 121 GLU C C 176.826 0.30 1 1263 263 121 GLU CA C 56.234 0.30 1 1264 263 121 GLU CB C 30.111 0.30 1 1265 263 121 GLU CG C 36.137 0.30 1 1266 263 121 GLU N N 120.557 0.10 1 1267 264 122 ILE H H 8.185 0.05 1 1268 264 122 ILE HA H 4.118 0.05 1 1269 264 122 ILE HB H 1.848 0.05 1 1270 264 122 ILE HD1 H 0.874 0.05 1 1271 264 122 ILE HG12 H 1.198 0.05 2 1272 264 122 ILE HG13 H 1.486 0.05 2 1273 264 122 ILE HG2 H 0.874 0.05 1 1274 264 122 ILE C C 176.282 0.30 1 1275 264 122 ILE CA C 60.851 0.30 1 1276 264 122 ILE CB C 38.398 0.30 1 1277 264 122 ILE CD1 C 12.101 0.30 1 1278 264 122 ILE CG1 C 27.251 0.30 1 1279 264 122 ILE CG2 C 17.259 0.30 1 1280 264 122 ILE N N 121.973 0.10 1 1281 265 123 GLN H H 8.452 0.05 1 1282 265 123 GLN HA H 4.335 0.05 1 1283 265 123 GLN HB2 H 1.986 0.05 2 1284 265 123 GLN HB3 H 2.095 0.05 2 1285 265 123 GLN HE21 H 6.917 0.05 2 1286 265 123 GLN HE22 H 7.608 0.05 2 1287 265 123 GLN HG2 H 2.335 0.05 2 1288 265 123 GLN HG3 H 2.335 0.05 2 1289 265 123 GLN C C 175.931 0.30 1 1290 265 123 GLN CA C 55.699 0.30 1 1291 265 123 GLN CB C 29.293 0.30 1 1292 265 123 GLN CG C 33.750 0.30 1 1293 265 123 GLN N N 124.768 0.10 1 1294 265 123 GLN NE2 N 112.822 0.10 1 1295 266 124 LYS H H 8.370 0.05 1 1296 266 124 LYS HA H 4.290 0.05 1 1297 266 124 LYS HB2 H 1.772 0.05 2 1298 266 124 LYS HB3 H 1.845 0.05 2 1299 266 124 LYS HD2 H 1.728 0.05 2 1300 266 124 LYS HD3 H 1.728 0.05 2 1301 266 124 LYS HE2 H 3.005 0.05 2 1302 266 124 LYS HE3 H 3.005 0.05 2 1303 266 124 LYS HG2 H 1.478 0.05 2 1304 266 124 LYS HG3 H 1.477 0.05 2 1305 266 124 LYS C C 176.771 0.30 1 1306 266 124 LYS CA C 56.268 0.30 1 1307 266 124 LYS CB C 32.860 0.30 1 1308 266 124 LYS CD C 29.302 0.30 1 1309 266 124 LYS CE C 41.997 0.30 1 1310 266 124 LYS CG C 24.859 0.30 1 1311 266 124 LYS N N 123.352 0.10 1 1312 267 125 GLU H H 8.534 0.05 1 1313 267 125 GLU HA H 4.292 0.05 1 1314 267 125 GLU HB2 H 2.006 0.05 2 1315 267 125 GLU HB3 H 2.051 0.05 2 1316 267 125 GLU HG2 H 2.337 0.05 2 1317 267 125 GLU HG3 H 2.336 0.05 2 1318 267 125 GLU C C 176.384 0.30 1 1319 267 125 GLU CA C 56.242 0.30 1 1320 267 125 GLU CB C 30.156 0.30 1 1321 267 125 GLU CG C 36.518 0.30 1 1322 267 125 GLU N N 121.908 0.10 1 1323 268 126 ASN H H 8.508 0.05 1 1324 268 126 ASN HA H 4.681 0.05 1 1325 268 126 ASN HB2 H 2.781 0.05 2 1326 268 126 ASN HB3 H 2.875 0.05 2 1327 268 126 ASN HD21 H 6.952 0.05 2 1328 268 126 ASN HD22 H 7.628 0.05 2 1329 268 126 ASN C C 175.370 0.30 1 1330 268 126 ASN CA C 53.225 0.30 1 1331 268 126 ASN CB C 38.952 0.30 1 1332 268 126 ASN N N 119.699 0.10 1 1333 268 126 ASN ND2 N 112.569 0.10 1 1334 269 127 SER H H 8.243 0.05 1 1335 269 127 SER HA H 3.878 0.05 1 1336 269 127 SER HB2 H 3.889 0.05 2 1337 269 127 SER HB3 H 3.889 0.05 2 1338 269 127 SER CA C 58.477 0.30 1 1339 269 127 SER CB C 63.866 0.30 1 1340 269 127 SER N N 116.360 0.10 1 1341 270 128 ARG H H 7.969 0.05 1 1342 270 128 ARG HA H 4.471 0.05 1 1343 270 128 ARG CA C 57.506 0.30 1 1344 270 128 ARG CB C 31.359 0.30 1 1345 270 128 ARG N N 127.541 0.10 1 stop_ save_