data_15249 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Sequence-Specific 1H, 13C and 15N Resonance Assignments of the Cyclic Nucleotide Binding Domain from a Cyclic Nucleotide-Gated Potassium Channel in Complex with cAMP ; _BMRB_accession_number 15249 _BMRB_flat_file_name bmr15249.str _Entry_type original _Submission_date 2007-05-15 _Accession_date 2007-05-15 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Schunke Sven . . 2 Stoldt Matthias . . 3 Willbold Dieter . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 762 "13C chemical shifts" 589 "15N chemical shifts" 139 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2009-12-11 update BMRB 'add related entry' 2009-08-31 update BMRB 'correct entry citation' 2008-01-30 update BMRB 'complete entry citation' 2007-09-17 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 16628 'Chemical shifts of MloK1_CNBD monomer' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Resonance assignment of the cyclic nucleotide binding domain from a cyclic nucleotide-gated K(+) channel in complex with cAMP' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 19636859 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Schunke Sven . . 2 Novak Kerstin . . 3 Stoldt Matthias . . 4 Kaupp 'U. Benjamin' . . 5 Willbold Dieter . . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_volume 1 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 179 _Page_last 181 _Year 2007 _Details . loop_ _Keyword cAMP 'cyclic nucleotide binding domain' 'ion channels' 'NMR resonance assignment' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Cyclic Nucleotide Binding Domain (CNBD) in Complex with cAMP' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'MLoti Cyclic nucleotide binding domain' $MlotiCNBDc cAMP $CMP stop_ _System_molecular_weight 15297 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . loop_ _Biological_function 'Ion Channel gating' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_MlotiCNBDc _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common MlotiCNBDc _Molecular_mass 14968.2 _Mol_thiol_state 'not present' loop_ _Biological_function 'ion channel gating' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 142 _Mol_residue_sequence ; GSQEVRRGDFVRNWQLVAAV PLFQKLGPAVLVEIVRALRA RTVPAGAVICRIGEPGDRMF FVVEGSVSVATPNPVELGPG AFFGEMALISGEPRSATVSA ATTVSLLSLHSADFQMLCSS SPEIAEIFRKTALERRGAAA SA ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 214 GLY 2 215 SER 3 216 GLN 4 217 GLU 5 218 VAL 6 219 ARG 7 220 ARG 8 221 GLY 9 222 ASP 10 223 PHE 11 224 VAL 12 225 ARG 13 226 ASN 14 227 TRP 15 228 GLN 16 229 LEU 17 230 VAL 18 231 ALA 19 232 ALA 20 233 VAL 21 234 PRO 22 235 LEU 23 236 PHE 24 237 GLN 25 238 LYS 26 239 LEU 27 240 GLY 28 241 PRO 29 242 ALA 30 243 VAL 31 244 LEU 32 245 VAL 33 246 GLU 34 247 ILE 35 248 VAL 36 249 ARG 37 250 ALA 38 251 LEU 39 252 ARG 40 253 ALA 41 254 ARG 42 255 THR 43 256 VAL 44 257 PRO 45 258 ALA 46 259 GLY 47 260 ALA 48 261 VAL 49 262 ILE 50 263 CYS 51 264 ARG 52 265 ILE 53 266 GLY 54 267 GLU 55 268 PRO 56 269 GLY 57 270 ASP 58 271 ARG 59 272 MET 60 273 PHE 61 274 PHE 62 275 VAL 63 276 VAL 64 277 GLU 65 278 GLY 66 279 SER 67 280 VAL 68 281 SER 69 282 VAL 70 283 ALA 71 284 THR 72 285 PRO 73 286 ASN 74 287 PRO 75 288 VAL 76 289 GLU 77 290 LEU 78 291 GLY 79 292 PRO 80 293 GLY 81 294 ALA 82 295 PHE 83 296 PHE 84 297 GLY 85 298 GLU 86 299 MET 87 300 ALA 88 301 LEU 89 302 ILE 90 303 SER 91 304 GLY 92 305 GLU 93 306 PRO 94 307 ARG 95 308 SER 96 309 ALA 97 310 THR 98 311 VAL 99 312 SER 100 313 ALA 101 314 ALA 102 315 THR 103 316 THR 104 317 VAL 105 318 SER 106 319 LEU 107 320 LEU 108 321 SER 109 322 LEU 110 323 HIS 111 324 SER 112 325 ALA 113 326 ASP 114 327 PHE 115 328 GLN 116 329 MET 117 330 LEU 118 331 CYS 119 332 SER 120 333 SER 121 334 SER 122 335 PRO 123 336 GLU 124 337 ILE 125 338 ALA 126 339 GLU 127 340 ILE 128 341 PHE 129 342 ARG 130 343 LYS 131 344 THR 132 345 ALA 133 346 LEU 134 347 GLU 135 348 ARG 136 349 ARG 137 350 GLY 138 351 ALA 139 352 ALA 140 353 ALA 141 354 SER 142 355 ALA stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-08-05 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 16628 MloK1_CNBD 100.00 142 100.00 100.00 6.50e-94 BMRB 18024 "Cyclic nucleotide binding domain, subunit 1" 100.00 142 100.00 100.00 6.50e-94 PDB 1U12 "M. Loti Cyclic Nucleotide Binding Domain Mutant" 97.18 138 99.28 99.28 1.17e-89 PDB 1VP6 "M.Loti Ion Channel Cylic Nucleotide Binding Domain" 97.18 138 100.00 100.00 1.05e-90 PDB 2K0G "Solution Structure Of A Bacterial Cyclic Nucleotide- Activated K+ Channel Binding Domain In Complex With Camp" 100.00 142 100.00 100.00 6.50e-94 PDB 2KXL "Solution Structure Of A Bacterial Cyclic Nucleotide-Activated K+ Channel Binding Domain In The Unliganded State" 100.00 142 100.00 100.00 6.50e-94 PDB 2ZD9 "Structure Of A Bacterial Cyclic-Nucleotide Regulated Ion Channel" 98.59 355 100.00 100.00 2.55e-90 PDB 3BEH "Structure Of A Bacterial Cyclic Nucleotide Regulated Ion Channel" 98.59 355 100.00 100.00 2.55e-90 PDB 3CL1 "M. Loti Cyclic-Nucleotide Binding Domain, Cyclic-Gmp Bound" 98.59 140 100.00 100.00 1.82e-92 PDB 3CLP "M. Loti Cyclic-Nucleotide Binding Domain Mutant 2" 98.59 140 99.29 99.29 1.19e-91 PDB 3CO2 "Mlotik1 Ion Channel Cyclic-Nucleotide Binding Domain Mutant" 98.59 140 99.29 99.29 2.72e-91 PDB 4CHV "The Electron Crystallography Structure Of The Camp-bound Potassium Channel Mlok1" 98.59 361 100.00 100.00 2.83e-90 PDB 4CHW "The Electron Crystallography Structure Of The Camp-free Potassium Channel Mlok1" 98.59 361 100.00 100.00 2.83e-90 PDB 4MUV "M. Loti Cyclic-nucleotide Binding Domain Mutant Displaying Inverted Ligand Selectivity, Cyclic-gmp Bound" 100.00 142 97.89 98.59 1.05e-91 DBJ BAB50178 "mll3241 [Mesorhizobium loti MAFF303099]" 98.59 355 100.00 100.00 2.55e-90 REF WP_010911524 "Cyclic nucleotide-gated potassium channel mll3241 [Mesorhizobium loti]" 98.59 355 100.00 100.00 2.55e-90 REF WP_032931689 "cation tolerance protein CutA [Mesorhizobium loti]" 98.59 355 100.00 100.00 2.34e-90 SP Q98GN8 "RecName: Full=Cyclic nucleotide-gated potassium channel mll3241; AltName: Full=MlotiK1 channel" 98.59 355 100.00 100.00 2.55e-90 stop_ save_ ############# # Ligands # ############# save_CMP _Saveframe_category ligand _Mol_type non-polymer _Name_common "CMP (ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE)" _BMRB_code . _PDB_code CMP _Molecular_mass 329.206 _Mol_charge 0 _Mol_paramagnetic . _Mol_aromatic . _Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Dec 20 02:10:56 2006 ; loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons C1' C1' C R 0 . ? C2 C2 C N 0 . ? C2' C2' C R 0 . ? C3' C3' C S 0 . ? C4 C4 C N 0 . ? C4' C4' C R 0 . ? C5 C5 C N 0 . ? C5' C5' C N 0 . ? C6 C6 C N 0 . ? C8 C8 C N 0 . ? H1' H1' H N 0 . ? H2 H2 H N 0 . ? H2' H2' H N 0 . ? H3' H3' H N 0 . ? H4' H4' H N 0 . ? H5'1 H5'1 H N 0 . ? H5'2 H5'2 H N 0 . ? H8 H8 H N 0 . ? HN61 HN61 H N 0 . ? HN62 HN62 H N 0 . ? HO2' HO2' H N 0 . ? HOP2 HOP2 H N 0 . ? N1 N1 N N 0 . ? N3 N3 N N 0 . ? N6 N6 N N 0 . ? N7 N7 N N 0 . ? N9 N9 N N 0 . ? O1P O1P O N 0 . ? O2' O2' O N 0 . ? O2P O2P O N 0 . ? O3' O3' O N 0 . ? O4' O4' O N 0 . ? O5' O5' O N 0 . ? P P P R 0 . ? stop_ loop_ _Bond_order _Bond_atom_one_atom_name _Bond_atom_two_atom_name _PDB_bond_atom_one_atom_name _PDB_bond_atom_two_atom_name DOUB P O1P ? ? SING P O2P ? ? SING P O5' ? ? SING P O3' ? ? SING O2P HOP2 ? ? SING O5' C5' ? ? SING C5' C4' ? ? SING C5' H5'1 ? ? SING C5' H5'2 ? ? SING C4' O4' ? ? SING C4' C3' ? ? SING C4' H4' ? ? SING O4' C1' ? ? SING C3' O3' ? ? SING C3' C2' ? ? SING C3' H3' ? ? SING C2' O2' ? ? SING C2' C1' ? ? SING C2' H2' ? ? SING O2' HO2' ? ? SING C1' N9 ? ? SING C1' H1' ? ? SING N9 C8 ? ? SING N9 C4 ? ? DOUB C8 N7 ? ? SING C8 H8 ? ? SING N7 C5 ? ? SING C5 C6 ? ? DOUB C5 C4 ? ? SING C6 N6 ? ? DOUB C6 N1 ? ? SING N6 HN61 ? ? SING N6 HN62 ? ? SING N1 C2 ? ? DOUB C2 N3 ? ? SING C2 H2 ? ? SING N3 C4 ? ? stop_ _Mol_thiol_state . _Sequence_homology_query_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Strain $MlotiCNBDc 'E. coli' 562 Bacteria . Escherichia coli BL21(DE3)pLysE 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 $MlotiCNBDc 'recombinant technology' . Escherichia coli BL21(DE3) pGEX-2T 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 $MlotiCNBDc 0.5 mM '[U-13C; U-15N]' 'potassium phosphate' 10 mM 'natural abundance' 'potassium chloride' 100 mM 'natural abundance' $CMP 0.5 mM 'natural abundance' 'sodium azide' 0.02 '% v/v' 'natural abundance' D2O 5 '% v/v' [U-2H] H2O 95 '% v/v' 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_NMRDraw _Saveframe_category software _Name NMRDraw _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model Unity_INOVA _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_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_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNHA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHA' _Sample_label $sample_1 save_ save_3D_HCCH-COSY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-COSY' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _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_1H-15N_NOESY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_10 _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 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 . indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '3D HNCO' 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 'MLoti Cyclic nucleotide binding domain' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 1 GLY HA2 H 3.524 0.020 1 2 1 1 GLY HA3 H 3.524 0.020 1 3 1 1 GLY CA C 44.369 0.300 1 4 2 2 SER HA H 4.466 0.020 1 5 2 2 SER HB2 H 3.880 0.020 2 6 2 2 SER HB3 H 3.846 0.020 2 7 2 2 SER C C 174.699 0.300 1 8 2 2 SER CA C 58.600 0.300 1 9 2 2 SER CB C 63.856 0.300 1 10 3 3 GLN H H 8.608 0.020 1 11 3 3 GLN HA H 3.914 0.020 1 12 3 3 GLN HE21 H 7.521 0.020 2 13 3 3 GLN HE22 H 6.844 0.020 2 14 3 3 GLN C C 175.923 0.300 1 15 3 3 GLN CA C 56.076 0.300 1 16 3 3 GLN CB C 29.186 0.300 1 17 3 3 GLN N N 122.119 0.300 1 18 3 3 GLN NE2 N 112.511 0.300 1 19 4 4 GLU H H 8.391 0.020 1 20 4 4 GLU HA H 4.243 0.020 1 21 4 4 GLU HB2 H 1.974 0.020 2 22 4 4 GLU HB3 H 1.905 0.020 2 23 4 4 GLU HG2 H 2.227 0.020 2 24 4 4 GLU HG3 H 2.197 0.020 2 25 4 4 GLU C C 176.564 0.300 1 26 4 4 GLU CA C 56.814 0.300 1 27 4 4 GLU CB C 30.280 0.300 1 28 4 4 GLU CG C 36.308 0.300 1 29 4 4 GLU N N 122.393 0.300 1 30 5 5 VAL H H 8.188 0.020 1 31 5 5 VAL HA H 4.028 0.020 1 32 5 5 VAL HB H 2.032 0.020 1 33 5 5 VAL HG1 H 0.936 0.020 1 34 5 5 VAL HG2 H 0.901 0.020 1 35 5 5 VAL C C 176.229 0.300 1 36 5 5 VAL CA C 62.717 0.300 1 37 5 5 VAL CB C 32.590 0.300 1 38 5 5 VAL CG1 C 20.838 0.300 1 39 5 5 VAL CG2 C 21.175 0.300 1 40 5 5 VAL N N 122.262 0.300 1 41 6 6 ARG H H 8.446 0.020 1 42 6 6 ARG HA H 4.320 0.020 1 43 6 6 ARG HB2 H 1.828 0.020 2 44 6 6 ARG HB3 H 1.749 0.020 2 45 6 6 ARG HD2 H 3.170 0.020 2 46 6 6 ARG HD3 H 3.123 0.020 2 47 6 6 ARG HG2 H 1.612 0.020 2 48 6 6 ARG HG3 H 1.556 0.020 2 49 6 6 ARG C C 176.478 0.300 1 50 6 6 ARG CA C 56.144 0.300 1 51 6 6 ARG CB C 30.666 0.300 1 52 6 6 ARG CD C 43.333 0.300 1 53 6 6 ARG CG C 27.219 0.300 1 54 6 6 ARG N N 124.940 0.300 1 55 7 7 ARG H H 8.441 0.020 1 56 7 7 ARG HA H 4.287 0.020 1 57 7 7 ARG HB2 H 1.873 0.020 2 58 7 7 ARG HB3 H 1.803 0.020 2 59 7 7 ARG HD2 H 3.124 0.020 2 60 7 7 ARG HD3 H 3.204 0.020 2 61 7 7 ARG HG2 H 1.662 0.020 2 62 7 7 ARG HG3 H 1.610 0.020 2 63 7 7 ARG C C 177.122 0.300 1 64 7 7 ARG CA C 56.825 0.300 1 65 7 7 ARG CB C 30.942 0.300 1 66 7 7 ARG CD C 43.405 0.300 1 67 7 7 ARG CG C 27.200 0.300 1 68 7 7 ARG N N 122.775 0.300 1 69 8 8 GLY H H 8.518 0.020 1 70 8 8 GLY HA2 H 3.952 0.020 1 71 8 8 GLY HA3 H 3.952 0.020 1 72 8 8 GLY C C 174.415 0.300 1 73 8 8 GLY CA C 45.777 0.300 1 74 8 8 GLY N N 109.192 0.300 1 75 9 9 ASP H H 8.193 0.020 1 76 9 9 ASP HA H 4.551 0.020 1 77 9 9 ASP HB2 H 2.693 0.020 2 78 9 9 ASP HB3 H 2.627 0.020 2 79 9 9 ASP C C 180.399 0.300 1 80 9 9 ASP CA C 55.031 0.300 1 81 9 9 ASP CB C 40.892 0.300 1 82 9 9 ASP N N 120.806 0.300 1 83 10 10 PHE H H 8.151 0.020 1 84 10 10 PHE HA H 4.341 0.020 1 85 10 10 PHE HB2 H 3.156 0.020 1 86 10 10 PHE HB3 H 3.156 0.020 1 87 10 10 PHE HD1 H 7.124 0.020 1 88 10 10 PHE HD2 H 7.124 0.020 1 89 10 10 PHE HE1 H 7.268 0.020 1 90 10 10 PHE HE2 H 7.268 0.020 1 91 10 10 PHE HZ H 7.170 0.020 1 92 10 10 PHE C C 176.243 0.300 1 93 10 10 PHE CA C 60.094 0.300 1 94 10 10 PHE CB C 39.303 0.300 1 95 10 10 PHE CD1 C 131.950 0.300 1 96 10 10 PHE CD2 C 131.950 0.300 1 97 10 10 PHE CE1 C 131.327 0.300 1 98 10 10 PHE CE2 C 131.327 0.300 1 99 10 10 PHE CZ C 129.644 0.300 1 100 10 10 PHE N N 120.795 0.300 1 101 11 11 VAL H H 7.904 0.020 1 102 11 11 VAL HA H 3.711 0.020 1 103 11 11 VAL HB H 2.080 0.020 1 104 11 11 VAL HG1 H 1.026 0.020 1 105 11 11 VAL HG2 H 0.927 0.020 1 106 11 11 VAL C C 177.859 0.300 1 107 11 11 VAL CA C 65.861 0.300 1 108 11 11 VAL CB C 31.888 0.300 1 109 11 11 VAL CG1 C 22.341 0.300 1 110 11 11 VAL CG2 C 21.153 0.300 1 111 11 11 VAL N N 118.658 0.300 1 112 12 12 ARG H H 7.967 0.020 1 113 12 12 ARG HA H 4.141 0.020 1 114 12 12 ARG HB2 H 1.830 0.020 2 115 12 12 ARG HB3 H 1.791 0.020 2 116 12 12 ARG HD2 H 3.217 0.020 2 117 12 12 ARG HD3 H 3.194 0.020 2 118 12 12 ARG HG2 H 1.677 0.020 2 119 12 12 ARG HG3 H 1.593 0.020 2 120 12 12 ARG C C 178.115 0.300 1 121 12 12 ARG CA C 58.246 0.300 1 122 12 12 ARG CB C 29.889 0.300 1 123 12 12 ARG CD C 43.253 0.300 1 124 12 12 ARG CG C 27.234 0.300 1 125 12 12 ARG N N 120.747 0.300 1 126 13 13 ASN H H 8.289 0.020 1 127 13 13 ASN HA H 4.312 0.020 1 128 13 13 ASN HB2 H 2.845 0.020 2 129 13 13 ASN HB3 H 2.824 0.020 2 130 13 13 ASN HD21 H 7.581 0.020 2 131 13 13 ASN HD22 H 6.418 0.020 2 132 13 13 ASN C C 175.667 0.300 1 133 13 13 ASN CA C 55.307 0.300 1 134 13 13 ASN CB C 37.752 0.300 1 135 13 13 ASN N N 118.750 0.300 1 136 13 13 ASN ND2 N 108.386 0.300 1 137 14 14 TRP H H 8.284 0.020 1 138 14 14 TRP HA H 4.012 0.020 1 139 14 14 TRP HB2 H 3.197 0.020 2 140 14 14 TRP HB3 H 3.060 0.020 2 141 14 14 TRP HD1 H 7.072 0.020 1 142 14 14 TRP HE1 H 9.873 0.020 1 143 14 14 TRP HE3 H 7.364 0.020 1 144 14 14 TRP HH2 H 7.062 0.020 1 145 14 14 TRP HZ2 H 7.359 0.020 1 146 14 14 TRP HZ3 H 6.919 0.020 1 147 14 14 TRP C C 177.859 0.300 1 148 14 14 TRP CA C 60.317 0.300 1 149 14 14 TRP CB C 28.816 0.300 1 150 14 14 TRP CD1 C 127.382 0.300 1 151 14 14 TRP CE3 C 120.593 0.300 1 152 14 14 TRP CH2 C 124.404 0.300 1 153 14 14 TRP CZ2 C 114.496 0.300 1 154 14 14 TRP CZ3 C 121.444 0.300 1 155 14 14 TRP N N 120.229 0.300 1 156 14 14 TRP NE1 N 128.866 0.300 1 157 15 15 GLN H H 7.941 0.020 1 158 15 15 GLN HA H 3.990 0.020 1 159 15 15 GLN HB2 H 2.206 0.020 2 160 15 15 GLN HB3 H 2.089 0.020 2 161 15 15 GLN HE21 H 7.420 0.020 2 162 15 15 GLN HE22 H 6.811 0.020 2 163 15 15 GLN HG2 H 2.471 0.020 2 164 15 15 GLN HG3 H 2.353 0.020 2 165 15 15 GLN C C 178.528 0.300 1 166 15 15 GLN CA C 58.328 0.300 1 167 15 15 GLN CB C 28.517 0.300 1 168 15 15 GLN CG C 33.967 0.300 1 169 15 15 GLN N N 114.772 0.300 1 170 15 15 GLN NE2 N 111.529 0.300 1 171 16 16 LEU H H 7.751 0.020 1 172 16 16 LEU HA H 4.102 0.020 1 173 16 16 LEU HB2 H 1.842 0.020 2 174 16 16 LEU HB3 H 1.431 0.020 2 175 16 16 LEU HD1 H 0.846 0.020 1 176 16 16 LEU HD2 H 0.777 0.020 1 177 16 16 LEU HG H 1.811 0.020 1 178 16 16 LEU C C 177.845 0.300 1 179 16 16 LEU CA C 57.530 0.300 1 180 16 16 LEU CB C 42.256 0.300 1 181 16 16 LEU CD1 C 25.850 0.300 1 182 16 16 LEU CD2 C 22.986 0.300 1 183 16 16 LEU CG C 26.948 0.300 1 184 16 16 LEU N N 119.527 0.300 1 185 17 17 VAL H H 7.944 0.020 1 186 17 17 VAL HA H 3.502 0.020 1 187 17 17 VAL HB H 1.878 0.020 1 188 17 17 VAL HG1 H 0.597 0.020 1 189 17 17 VAL HG2 H 0.517 0.020 1 190 17 17 VAL C C 177.931 0.300 1 191 17 17 VAL CA C 65.165 0.300 1 192 17 17 VAL CB C 31.336 0.300 1 193 17 17 VAL CG1 C 22.442 0.300 1 194 17 17 VAL CG2 C 21.325 0.300 1 195 17 17 VAL N N 114.778 0.300 1 196 18 18 ALA H H 7.254 0.020 1 197 18 18 ALA HA H 3.990 0.020 1 198 18 18 ALA HB H 1.349 0.020 1 199 18 18 ALA C C 177.931 0.300 1 200 18 18 ALA CA C 53.862 0.300 1 201 18 18 ALA CB C 18.317 0.300 1 202 18 18 ALA N N 120.691 0.300 1 203 19 19 ALA H H 7.435 0.020 1 204 19 19 ALA HA H 4.361 0.020 1 205 19 19 ALA HB H 1.595 0.020 1 206 19 19 ALA C C 176.621 0.300 1 207 19 19 ALA CA C 52.259 0.300 1 208 19 19 ALA CB C 19.957 0.300 1 209 19 19 ALA N N 118.109 0.300 1 210 20 20 VAL H H 7.633 0.020 1 211 20 20 VAL HA H 4.469 0.020 1 212 20 20 VAL HB H 2.222 0.020 1 213 20 20 VAL HG1 H 0.830 0.020 1 214 20 20 VAL HG2 H 0.487 0.020 1 215 20 20 VAL CA C 59.609 0.300 1 216 20 20 VAL CB C 32.012 0.300 1 217 20 20 VAL CG1 C 20.625 0.300 1 218 20 20 VAL CG2 C 21.884 0.300 1 219 20 20 VAL N N 119.724 0.300 1 220 21 21 PRO HB2 H 1.986 0.020 2 221 21 21 PRO HB3 H 1.943 0.020 2 222 21 21 PRO HD2 H 4.121 0.020 2 223 21 21 PRO HD3 H 4.010 0.020 2 224 21 21 PRO HG2 H 2.154 0.020 1 225 21 21 PRO HG3 H 2.154 0.020 1 226 21 21 PRO C C 177.874 0.300 1 227 21 21 PRO CA C 65.731 0.300 1 228 21 21 PRO CB C 32.307 0.300 1 229 21 21 PRO CD C 51.371 0.300 1 230 21 21 PRO CG C 27.366 0.300 1 231 22 22 LEU H H 8.304 0.020 1 232 22 22 LEU HA H 3.892 0.020 1 233 22 22 LEU HB2 H 1.702 0.020 2 234 22 22 LEU HB3 H 1.647 0.020 2 235 22 22 LEU HD1 H 0.702 0.020 1 236 22 22 LEU HD2 H 0.631 0.020 1 237 22 22 LEU HG H 1.437 0.020 1 238 22 22 LEU C C 177.874 0.300 1 239 22 22 LEU CA C 58.164 0.300 1 240 22 22 LEU CB C 42.610 0.300 1 241 22 22 LEU CD1 C 24.795 0.300 1 242 22 22 LEU CD2 C 26.066 0.300 1 243 22 22 LEU CG C 26.681 0.300 1 244 22 22 LEU N N 118.952 0.300 1 245 23 23 PHE H H 7.344 0.020 1 246 23 23 PHE HA H 4.299 0.020 1 247 23 23 PHE HB2 H 3.106 0.020 2 248 23 23 PHE HB3 H 2.982 0.020 2 249 23 23 PHE C C 177.475 0.300 1 250 23 23 PHE CA C 57.963 0.300 1 251 23 23 PHE CB C 37.157 0.300 1 252 23 23 PHE N N 111.472 0.300 1 253 24 24 GLN H H 7.929 0.020 1 254 24 24 GLN HA H 4.143 0.020 1 255 24 24 GLN HB2 H 2.230 0.020 2 256 24 24 GLN HB3 H 2.093 0.020 2 257 24 24 GLN HE21 H 7.538 0.020 2 258 24 24 GLN HE22 H 6.768 0.020 2 259 24 24 GLN HG2 H 2.527 0.020 2 260 24 24 GLN HG3 H 2.478 0.020 2 261 24 24 GLN C C 176.934 0.300 1 262 24 24 GLN CA C 57.738 0.300 1 263 24 24 GLN CB C 28.255 0.300 1 264 24 24 GLN CG C 34.230 0.300 1 265 24 24 GLN N N 117.681 0.300 1 266 24 24 GLN NE2 N 111.949 0.300 1 267 25 25 LYS H H 7.558 0.020 1 268 25 25 LYS HA H 4.245 0.020 1 269 25 25 LYS HB2 H 1.931 0.020 2 270 25 25 LYS HB3 H 1.711 0.020 2 271 25 25 LYS HD2 H 1.522 0.020 1 272 25 25 LYS HD3 H 1.522 0.020 1 273 25 25 LYS HE2 H 2.899 0.020 1 274 25 25 LYS HE3 H 2.899 0.020 1 275 25 25 LYS HG2 H 1.422 0.020 1 276 25 25 LYS HG3 H 1.422 0.020 1 277 25 25 LYS C C 176.725 0.300 1 278 25 25 LYS CA C 56.300 0.300 1 279 25 25 LYS CB C 32.706 0.300 1 280 25 25 LYS CD C 28.892 0.300 1 281 25 25 LYS CE C 41.992 0.300 1 282 25 25 LYS CG C 25.467 0.300 1 283 25 25 LYS N N 115.181 0.300 1 284 26 26 LEU H H 7.188 0.020 1 285 26 26 LEU HA H 4.287 0.020 1 286 26 26 LEU HB2 H 1.867 0.020 2 287 26 26 LEU HB3 H 1.376 0.020 2 288 26 26 LEU HD1 H 0.800 0.020 1 289 26 26 LEU HD2 H 0.760 0.020 1 290 26 26 LEU HG H 1.704 0.020 1 291 26 26 LEU C C 177.005 0.300 1 292 26 26 LEU CA C 54.385 0.300 1 293 26 26 LEU CB C 43.219 0.300 1 294 26 26 LEU CD1 C 23.405 0.300 1 295 26 26 LEU CD2 C 26.091 0.300 1 296 26 26 LEU CG C 26.912 0.300 1 297 26 26 LEU N N 118.942 0.300 1 298 27 27 GLY H H 8.573 0.020 1 299 27 27 GLY HA2 H 4.331 0.020 2 300 27 27 GLY HA3 H 3.853 0.020 2 301 27 27 GLY CA C 44.296 0.300 1 302 27 27 GLY N N 109.133 0.300 1 303 28 28 PRO HA H 4.186 0.020 1 304 28 28 PRO HB2 H 2.355 0.020 2 305 28 28 PRO HB3 H 1.993 0.020 2 306 28 28 PRO HD2 H 3.787 0.020 2 307 28 28 PRO HD3 H 3.760 0.020 2 308 28 28 PRO HG2 H 2.146 0.020 2 309 28 28 PRO HG3 H 2.068 0.020 2 310 28 28 PRO C C 178.371 0.300 1 311 28 28 PRO CA C 66.021 0.300 1 312 28 28 PRO CB C 31.982 0.300 1 313 28 28 PRO CD C 49.904 0.300 1 314 28 28 PRO CG C 29.289 0.300 1 315 29 29 ALA H H 8.278 0.020 1 316 29 29 ALA HA H 4.164 0.020 1 317 29 29 ALA HB H 1.429 0.020 1 318 29 29 ALA C C 180.207 0.300 1 319 29 29 ALA CA C 54.962 0.300 1 320 29 29 ALA CB C 18.238 0.300 1 321 29 29 ALA N N 118.332 0.300 1 322 30 30 VAL H H 7.398 0.020 1 323 30 30 VAL HA H 3.799 0.020 1 324 30 30 VAL HB H 1.992 0.020 1 325 30 30 VAL HG1 H 0.995 0.020 1 326 30 30 VAL HG2 H 0.914 0.020 1 327 30 30 VAL C C 177.619 0.300 1 328 30 30 VAL CA C 64.722 0.300 1 329 30 30 VAL CB C 32.073 0.300 1 330 30 30 VAL CG1 C 22.407 0.300 1 331 30 30 VAL CG2 C 21.986 0.300 1 332 30 30 VAL N N 118.044 0.300 1 333 31 31 LEU H H 8.299 0.020 1 334 31 31 LEU HA H 3.797 0.020 1 335 31 31 LEU HB2 H 1.785 0.020 2 336 31 31 LEU HB3 H 1.474 0.020 2 337 31 31 LEU HD1 H 0.821 0.020 1 338 31 31 LEU HD2 H 0.678 0.020 1 339 31 31 LEU HG H 1.409 0.020 1 340 31 31 LEU C C 177.988 0.300 1 341 31 31 LEU CA C 58.372 0.300 1 342 31 31 LEU CB C 41.694 0.300 1 343 31 31 LEU CD1 C 25.529 0.300 1 344 31 31 LEU CD2 C 23.779 0.300 1 345 31 31 LEU CG C 26.915 0.300 1 346 31 31 LEU N N 120.790 0.300 1 347 32 32 VAL H H 7.580 0.020 1 348 32 32 VAL HA H 3.604 0.020 1 349 32 32 VAL HB H 2.161 0.020 1 350 32 32 VAL HG1 H 1.161 0.020 1 351 32 32 VAL HG2 H 0.968 0.020 1 352 32 32 VAL C C 177.264 0.300 1 353 32 32 VAL CA C 66.852 0.300 1 354 32 32 VAL CB C 31.736 0.300 1 355 32 32 VAL CG1 C 22.850 0.300 1 356 32 32 VAL CG2 C 21.170 0.300 1 357 32 32 VAL N N 114.796 0.300 1 358 33 33 GLU H H 6.946 0.020 1 359 33 33 GLU HA H 4.039 0.020 1 360 33 33 GLU HB2 H 2.089 0.020 2 361 33 33 GLU HB3 H 2.043 0.020 2 362 33 33 GLU HG2 H 2.364 0.020 2 363 33 33 GLU HG3 H 2.291 0.020 2 364 33 33 GLU C C 173.689 0.300 1 365 33 33 GLU CA C 58.581 0.300 1 366 33 33 GLU CB C 29.323 0.300 1 367 33 33 GLU CG C 35.687 0.300 1 368 33 33 GLU N N 116.962 0.300 1 369 34 34 ILE H H 8.158 0.020 1 370 34 34 ILE HA H 3.799 0.020 1 371 34 34 ILE HB H 1.840 0.020 1 372 34 34 ILE HD1 H 0.557 0.020 1 373 34 34 ILE HG12 H 1.426 0.020 2 374 34 34 ILE HG13 H 1.147 0.020 2 375 34 34 ILE HG2 H 0.473 0.020 1 376 34 34 ILE C C 177.505 0.300 1 377 34 34 ILE CA C 61.829 0.300 1 378 34 34 ILE CB C 36.147 0.300 1 379 34 34 ILE CD1 C 11.525 0.300 1 380 34 34 ILE CG1 C 27.984 0.300 1 381 34 34 ILE CG2 C 17.449 0.300 1 382 34 34 ILE N N 119.894 0.300 1 383 35 35 VAL H H 8.439 0.020 1 384 35 35 VAL HA H 3.181 0.020 1 385 35 35 VAL HB H 1.780 0.020 1 386 35 35 VAL HG1 H 0.343 0.020 1 387 35 35 VAL HG2 H 0.232 0.020 1 388 35 35 VAL C C 177.746 0.300 1 389 35 35 VAL CA C 67.159 0.300 1 390 35 35 VAL CB C 30.868 0.300 1 391 35 35 VAL CG1 C 23.612 0.300 1 392 35 35 VAL CG2 C 21.763 0.300 1 393 35 35 VAL N N 120.630 0.300 1 394 36 36 ARG H H 7.340 0.020 1 395 36 36 ARG HA H 3.879 0.020 1 396 36 36 ARG HB2 H 1.801 0.020 1 397 36 36 ARG HB3 H 1.801 0.020 1 398 36 36 ARG HD2 H 3.100 0.020 2 399 36 36 ARG HD3 H 3.074 0.020 2 400 36 36 ARG HE H 7.266 0.020 1 401 36 36 ARG HG2 H 1.768 0.020 2 402 36 36 ARG HG3 H 1.407 0.020 2 403 36 36 ARG C C 176.754 0.300 1 404 36 36 ARG CA C 58.572 0.300 1 405 36 36 ARG CB C 30.434 0.300 1 406 36 36 ARG CD C 43.635 0.300 1 407 36 36 ARG CG C 27.751 0.300 1 408 36 36 ARG N N 115.594 0.300 1 409 36 36 ARG NE N 84.627 0.300 1 410 37 37 ALA H H 7.390 0.020 1 411 37 37 ALA HA H 4.286 0.020 1 412 37 37 ALA HB H 1.389 0.020 1 413 37 37 ALA C C 178.627 0.300 1 414 37 37 ALA CA C 52.904 0.300 1 415 37 37 ALA CB C 19.773 0.300 1 416 37 37 ALA N N 120.242 0.300 1 417 38 38 LEU H H 7.411 0.020 1 418 38 38 LEU HA H 4.572 0.020 1 419 38 38 LEU HB2 H 1.702 0.020 2 420 38 38 LEU HB3 H 1.191 0.020 2 421 38 38 LEU HD1 H 0.765 0.020 1 422 38 38 LEU HD2 H 0.455 0.020 1 423 38 38 LEU HG H 1.962 0.020 1 424 38 38 LEU C C 177.066 0.300 1 425 38 38 LEU CA C 55.514 0.300 1 426 38 38 LEU CB C 43.761 0.300 1 427 38 38 LEU CD1 C 24.501 0.300 1 428 38 38 LEU CD2 C 27.614 0.300 1 429 38 38 LEU CG C 25.873 0.300 1 430 38 38 LEU N N 119.873 0.300 1 431 39 39 ARG H H 8.424 0.020 1 432 39 39 ARG HA H 4.867 0.020 1 433 39 39 ARG HB2 H 1.851 0.020 2 434 39 39 ARG HB3 H 1.811 0.020 2 435 39 39 ARG HD2 H 3.206 0.020 2 436 39 39 ARG HD3 H 3.139 0.020 2 437 39 39 ARG HG2 H 1.720 0.020 2 438 39 39 ARG HG3 H 1.642 0.020 2 439 39 39 ARG C C 175.718 0.300 1 440 39 39 ARG CA C 53.898 0.300 1 441 39 39 ARG CB C 32.010 0.300 1 442 39 39 ARG CD C 43.280 0.300 1 443 39 39 ARG CG C 27.151 0.300 1 444 39 39 ARG N N 119.612 0.300 1 445 40 40 ALA H H 8.998 0.020 1 446 40 40 ALA HA H 5.261 0.020 1 447 40 40 ALA HB H 1.377 0.020 1 448 40 40 ALA C C 177.588 0.300 1 449 40 40 ALA CA C 51.744 0.300 1 450 40 40 ALA CB C 20.563 0.300 1 451 40 40 ALA N N 128.623 0.300 1 452 41 41 ARG H H 8.731 0.020 1 453 41 41 ARG HA H 4.685 0.020 1 454 41 41 ARG HB2 H 1.821 0.020 2 455 41 41 ARG HB3 H 1.780 0.020 2 456 41 41 ARG HD2 H 3.284 0.020 2 457 41 41 ARG HD3 H 3.107 0.020 2 458 41 41 ARG HG2 H 1.640 0.020 2 459 41 41 ARG HG3 H 1.551 0.020 2 460 41 41 ARG C C 174.101 0.300 1 461 41 41 ARG CA C 55.887 0.300 1 462 41 41 ARG CB C 34.735 0.300 1 463 41 41 ARG CD C 43.953 0.300 1 464 41 41 ARG CG C 26.716 0.300 1 465 41 41 ARG N N 121.187 0.300 1 466 42 42 THR H H 8.763 0.020 1 467 42 42 THR HA H 5.415 0.020 1 468 42 42 THR HB H 3.918 0.020 1 469 42 42 THR HG2 H 1.056 0.020 1 470 42 42 THR C C 174.229 0.300 1 471 42 42 THR CA C 61.518 0.300 1 472 42 42 THR CB C 70.362 0.300 1 473 42 42 THR CG2 C 21.512 0.300 1 474 42 42 THR N N 121.494 0.300 1 475 43 43 VAL H H 9.308 0.020 1 476 43 43 VAL HA H 4.689 0.020 1 477 43 43 VAL HB H 1.984 0.020 1 478 43 43 VAL HG1 H 0.933 0.020 1 479 43 43 VAL HG2 H 0.745 0.020 1 480 43 43 VAL CA C 58.250 0.300 1 481 43 43 VAL CB C 34.095 0.300 1 482 43 43 VAL CG1 C 21.919 0.300 1 483 43 43 VAL CG2 C 20.613 0.300 1 484 43 43 VAL N N 127.190 0.300 1 485 44 44 PRO HA H 4.541 0.020 1 486 44 44 PRO HB2 H 2.223 0.020 1 487 44 44 PRO HB3 H 2.223 0.020 1 488 44 44 PRO HD2 H 3.732 0.020 2 489 44 44 PRO HD3 H 3.658 0.020 2 490 44 44 PRO HG2 H 1.950 0.020 2 491 44 44 PRO HG3 H 1.919 0.020 2 492 44 44 PRO C C 174.995 0.300 1 493 44 44 PRO CA C 61.962 0.300 1 494 44 44 PRO CB C 32.709 0.300 1 495 44 44 PRO CD C 50.973 0.300 1 496 44 44 PRO CG C 26.999 0.300 1 497 45 45 ALA H H 7.792 0.020 1 498 45 45 ALA HA H 3.367 0.020 1 499 45 45 ALA HB H 1.144 0.020 1 500 45 45 ALA C C 178.583 0.300 1 501 45 45 ALA CA C 53.666 0.300 1 502 45 45 ALA CB C 18.445 0.300 1 503 45 45 ALA N N 120.349 0.300 1 504 46 46 GLY H H 8.661 0.020 1 505 46 46 GLY HA2 H 4.286 0.020 2 506 46 46 GLY HA3 H 3.585 0.020 2 507 46 46 GLY C C 174.300 0.300 1 508 46 46 GLY CA C 44.845 0.300 1 509 46 46 GLY N N 111.453 0.300 1 510 47 47 ALA H H 7.752 0.020 1 511 47 47 ALA HA H 4.263 0.020 1 512 47 47 ALA HB H 1.320 0.020 1 513 47 47 ALA C C 177.051 0.300 1 514 47 47 ALA CA C 52.414 0.300 1 515 47 47 ALA CB C 19.385 0.300 1 516 47 47 ALA N N 123.450 0.300 1 517 48 48 VAL H H 8.501 0.020 1 518 48 48 VAL HA H 3.709 0.020 1 519 48 48 VAL HB H 1.866 0.020 1 520 48 48 VAL HG1 H 0.713 0.020 1 521 48 48 VAL HG2 H 0.907 0.020 1 522 48 48 VAL C C 176.186 0.300 1 523 48 48 VAL CA C 63.888 0.300 1 524 48 48 VAL CB C 32.220 0.300 1 525 48 48 VAL CG1 C 22.179 0.300 1 526 48 48 VAL CG2 C 22.007 0.300 1 527 48 48 VAL N N 121.932 0.300 1 528 49 49 ILE H H 9.145 0.020 1 529 49 49 ILE HA H 3.841 0.020 1 530 49 49 ILE HB H 1.210 0.020 1 531 49 49 ILE HD1 H 0.584 0.020 1 532 49 49 ILE HG12 H 1.520 0.020 2 533 49 49 ILE HG13 H 0.692 0.020 2 534 49 49 ILE HG2 H 0.254 0.020 1 535 49 49 ILE C C 176.129 0.300 1 536 49 49 ILE CA C 63.337 0.300 1 537 49 49 ILE CB C 39.672 0.300 1 538 49 49 ILE CD1 C 15.363 0.300 1 539 49 49 ILE CG1 C 28.844 0.300 1 540 49 49 ILE CG2 C 17.790 0.300 1 541 49 49 ILE N N 129.087 0.300 1 542 50 50 CYS H H 7.844 0.020 1 543 50 50 CYS HA H 4.937 0.020 1 544 50 50 CYS HB2 H 2.989 0.020 2 545 50 50 CYS HB3 H 2.911 0.020 2 546 50 50 CYS C C 171.009 0.300 1 547 50 50 CYS CA C 55.949 0.300 1 548 50 50 CYS CB C 31.695 0.300 1 549 50 50 CYS N N 112.623 0.300 1 550 51 51 ARG H H 8.784 0.020 1 551 51 51 ARG HA H 4.753 0.020 1 552 51 51 ARG HB2 H 1.656 0.020 2 553 51 51 ARG HB3 H 1.420 0.020 2 554 51 51 ARG HD2 H 3.212 0.020 2 555 51 51 ARG HD3 H 3.131 0.020 2 556 51 51 ARG HG2 H 1.638 0.020 2 557 51 51 ARG HG3 H 1.563 0.020 2 558 51 51 ARG C C 174.399 0.300 1 559 51 51 ARG CA C 54.664 0.300 1 560 51 51 ARG CB C 33.149 0.300 1 561 51 51 ARG CD C 43.394 0.300 1 562 51 51 ARG CG C 28.089 0.300 1 563 51 51 ARG N N 123.861 0.300 1 564 52 52 ILE H H 8.086 0.020 1 565 52 52 ILE HA H 3.310 0.020 1 566 52 52 ILE HB H 1.643 0.020 1 567 52 52 ILE HD1 H 0.875 0.020 1 568 52 52 ILE HG12 H 1.285 0.020 2 569 52 52 ILE HG13 H 1.008 0.020 2 570 52 52 ILE HG2 H 0.796 0.020 1 571 52 52 ILE C C 174.668 0.300 1 572 52 52 ILE CA C 62.429 0.300 1 573 52 52 ILE CB C 38.259 0.300 1 574 52 52 ILE CD1 C 14.116 0.300 1 575 52 52 ILE CG1 C 28.982 0.300 1 576 52 52 ILE CG2 C 15.204 0.300 1 577 52 52 ILE N N 123.663 0.300 1 578 53 53 GLY H H 8.546 0.020 1 579 53 53 GLY HA2 H 4.278 0.020 2 580 53 53 GLY HA3 H 3.540 0.020 2 581 53 53 GLY C C 174.371 0.300 1 582 53 53 GLY CA C 45.317 0.300 1 583 53 53 GLY N N 111.784 0.300 1 584 54 54 GLU H H 7.623 0.020 1 585 54 54 GLU HA H 4.753 0.020 1 586 54 54 GLU HB2 H 2.212 0.020 2 587 54 54 GLU HB3 H 1.999 0.020 2 588 54 54 GLU HG2 H 2.505 0.020 2 589 54 54 GLU HG3 H 2.313 0.020 2 590 54 54 GLU CA C 54.263 0.300 1 591 54 54 GLU CB C 29.109 0.300 1 592 54 54 GLU CG C 36.831 0.300 1 593 54 54 GLU N N 121.173 0.300 1 594 55 55 PRO HA H 4.481 0.020 1 595 55 55 PRO HB2 H 2.268 0.020 2 596 55 55 PRO HB3 H 1.794 0.020 2 597 55 55 PRO HD2 H 3.899 0.020 2 598 55 55 PRO HD3 H 3.656 0.020 2 599 55 55 PRO HG2 H 2.091 0.020 2 600 55 55 PRO HG3 H 2.004 0.020 2 601 55 55 PRO C C 177.562 0.300 1 602 55 55 PRO CA C 62.852 0.300 1 603 55 55 PRO CB C 31.870 0.300 1 604 55 55 PRO CD C 50.268 0.300 1 605 55 55 PRO CG C 27.702 0.300 1 606 56 56 GLY H H 9.289 0.020 1 607 56 56 GLY HA2 H 4.451 0.020 2 608 56 56 GLY HA3 H 2.991 0.020 2 609 56 56 GLY C C 172.129 0.300 1 610 56 56 GLY CA C 44.868 0.300 1 611 56 56 GLY N N 109.616 0.300 1 612 57 57 ASP HA H 4.477 0.020 1 613 57 57 ASP HB2 H 2.960 0.020 2 614 57 57 ASP HB3 H 2.473 0.020 2 615 57 57 ASP C C 174.683 0.300 1 616 57 57 ASP CA C 52.811 0.300 1 617 57 57 ASP CB C 41.356 0.300 1 618 58 58 ARG H H 6.983 0.020 1 619 58 58 ARG HA H 4.727 0.020 1 620 58 58 ARG HB2 H 1.419 0.020 1 621 58 58 ARG HB3 H 1.419 0.020 1 622 58 58 ARG HD2 H 3.177 0.020 2 623 58 58 ARG HD3 H 2.610 0.020 2 624 58 58 ARG HE H 7.768 0.020 1 625 58 58 ARG HG2 H 1.035 0.020 2 626 58 58 ARG HG3 H 0.751 0.020 2 627 58 58 ARG C C 172.966 0.300 1 628 58 58 ARG CA C 54.063 0.300 1 629 58 58 ARG CB C 32.177 0.300 1 630 58 58 ARG CD C 43.019 0.300 1 631 58 58 ARG CG C 24.088 0.300 1 632 58 58 ARG N N 113.336 0.300 1 633 58 58 ARG NE N 83.938 0.300 1 634 59 59 MET H H 8.478 0.020 1 635 59 59 MET HA H 4.424 0.020 1 636 59 59 MET HB2 H 1.795 0.020 1 637 59 59 MET HB3 H 1.795 0.020 1 638 59 59 MET HE H 0.951 0.020 1 639 59 59 MET HG2 H 1.648 0.020 2 640 59 59 MET HG3 H 1.610 0.020 2 641 59 59 MET C C 172.598 0.300 1 642 59 59 MET CA C 53.886 0.300 1 643 59 59 MET CB C 32.033 0.300 1 644 59 59 MET CE C 17.480 0.300 1 645 59 59 MET CG C 29.819 0.300 1 646 59 59 MET N N 117.748 0.300 1 647 60 60 PHE H H 8.444 0.020 1 648 60 60 PHE HA H 5.273 0.020 1 649 60 60 PHE HB2 H 2.239 0.020 2 650 60 60 PHE HB3 H 0.877 0.020 2 651 60 60 PHE HD1 H 6.546 0.020 1 652 60 60 PHE HD2 H 6.546 0.020 1 653 60 60 PHE HE1 H 6.983 0.020 1 654 60 60 PHE HZ H 6.468 0.020 1 655 60 60 PHE C C 173.475 0.300 1 656 60 60 PHE CA C 56.512 0.300 1 657 60 60 PHE CB C 43.973 0.300 1 658 60 60 PHE CD1 C 132.985 0.300 1 659 60 60 PHE CD2 C 132.985 0.300 1 660 60 60 PHE CE1 C 129.973 0.300 1 661 60 60 PHE CZ C 129.893 0.300 1 662 60 60 PHE N N 114.200 0.300 1 663 61 61 PHE H H 9.305 0.020 1 664 61 61 PHE HA H 5.134 0.020 1 665 61 61 PHE HB2 H 3.035 0.020 2 666 61 61 PHE HB3 H 2.907 0.020 2 667 61 61 PHE HD1 H 7.197 0.020 1 668 61 61 PHE HD2 H 7.197 0.020 1 669 61 61 PHE HE1 H 7.047 0.020 1 670 61 61 PHE HE2 H 7.047 0.020 1 671 61 61 PHE HZ H 6.751 0.020 1 672 61 61 PHE C C 175.590 0.300 1 673 61 61 PHE CA C 56.359 0.300 1 674 61 61 PHE CB C 41.272 0.300 1 675 61 61 PHE CD1 C 132.873 0.300 1 676 61 61 PHE CD2 C 132.873 0.300 1 677 61 61 PHE CE1 C 130.367 0.300 1 678 61 61 PHE CE2 C 130.367 0.300 1 679 61 61 PHE CZ C 128.036 0.300 1 680 61 61 PHE N N 117.314 0.300 1 681 62 62 VAL H H 9.145 0.020 1 682 62 62 VAL HA H 3.991 0.020 1 683 62 62 VAL HB H 2.326 0.020 1 684 62 62 VAL HG1 H 0.876 0.020 1 685 62 62 VAL HG2 H 0.642 0.020 1 686 62 62 VAL C C 175.704 0.300 1 687 62 62 VAL CA C 63.627 0.300 1 688 62 62 VAL CB C 31.709 0.300 1 689 62 62 VAL CG1 C 21.555 0.300 1 690 62 62 VAL CG2 C 22.354 0.300 1 691 62 62 VAL N N 123.650 0.300 1 692 63 63 VAL H H 8.944 0.020 1 693 63 63 VAL HA H 4.184 0.020 1 694 63 63 VAL HB H 1.988 0.020 1 695 63 63 VAL HG1 H 0.956 0.020 1 696 63 63 VAL HG2 H 0.829 0.020 1 697 63 63 VAL C C 175.193 0.300 1 698 63 63 VAL CA C 64.118 0.300 1 699 63 63 VAL CB C 32.508 0.300 1 700 63 63 VAL CG1 C 21.831 0.300 1 701 63 63 VAL CG2 C 21.685 0.300 1 702 63 63 VAL N N 127.583 0.300 1 703 64 64 GLU H H 7.603 0.020 1 704 64 64 GLU HA H 4.472 0.020 1 705 64 64 GLU HB2 H 1.998 0.020 2 706 64 64 GLU HB3 H 1.949 0.020 2 707 64 64 GLU HG2 H 2.277 0.020 2 708 64 64 GLU HG3 H 2.239 0.020 2 709 64 64 GLU C C 174.200 0.300 1 710 64 64 GLU CA C 56.169 0.300 1 711 64 64 GLU CB C 34.144 0.300 1 712 64 64 GLU CG C 31.852 0.300 1 713 64 64 GLU N N 117.025 0.300 1 714 65 65 GLY H H 8.461 0.020 1 715 65 65 GLY HA2 H 4.568 0.020 2 716 65 65 GLY HA3 H 3.643 0.020 2 717 65 65 GLY C C 170.373 0.300 1 718 65 65 GLY CA C 44.267 0.300 1 719 65 65 GLY N N 112.434 0.300 1 720 66 66 SER H H 7.289 0.020 1 721 66 66 SER HA H 5.465 0.020 1 722 66 66 SER HB2 H 3.674 0.020 2 723 66 66 SER HB3 H 3.537 0.020 2 724 66 66 SER C C 174.371 0.300 1 725 66 66 SER CA C 56.364 0.300 1 726 66 66 SER CB C 66.326 0.300 1 727 66 66 SER N N 106.664 0.300 1 728 67 67 VAL H H 8.848 0.020 1 729 67 67 VAL HA H 4.871 0.020 1 730 67 67 VAL HB H 1.650 0.020 1 731 67 67 VAL HG1 H 0.588 0.020 1 732 67 67 VAL HG2 H 0.301 0.020 1 733 67 67 VAL C C 173.605 0.300 1 734 67 67 VAL CA C 58.543 0.300 1 735 67 67 VAL CB C 33.758 0.300 1 736 67 67 VAL CG1 C 22.413 0.300 1 737 67 67 VAL CG2 C 19.296 0.300 1 738 67 67 VAL N N 113.035 0.300 1 739 68 68 SER H H 9.097 0.020 1 740 68 68 SER HA H 4.876 0.020 1 741 68 68 SER HB2 H 3.490 0.020 2 742 68 68 SER HB3 H 3.408 0.020 2 743 68 68 SER C C 173.576 0.300 1 744 68 68 SER CA C 56.295 0.300 1 745 68 68 SER CB C 63.987 0.300 1 746 68 68 SER N N 115.350 0.300 1 747 69 69 VAL H H 9.239 0.020 1 748 69 69 VAL HA H 3.942 0.020 1 749 69 69 VAL HB H 1.673 0.020 1 750 69 69 VAL HG1 H 0.515 0.020 1 751 69 69 VAL HG2 H -0.225 0.020 1 752 69 69 VAL C C 176.002 0.300 1 753 69 69 VAL CA C 61.244 0.300 1 754 69 69 VAL CB C 31.654 0.300 1 755 69 69 VAL CG1 C 19.515 0.300 1 756 69 69 VAL CG2 C 20.607 0.300 1 757 69 69 VAL N N 128.952 0.300 1 758 70 70 ALA H H 8.610 0.020 1 759 70 70 ALA HA H 4.458 0.020 1 760 70 70 ALA HB H 1.288 0.020 1 761 70 70 ALA C C 179.363 0.300 1 762 70 70 ALA CA C 52.002 0.300 1 763 70 70 ALA CB C 16.532 0.300 1 764 70 70 ALA N N 131.527 0.300 1 765 71 71 THR H H 7.974 0.020 1 766 71 71 THR HA H 4.376 0.020 1 767 71 71 THR HB H 4.353 0.020 1 768 71 71 THR HG2 H 0.782 0.020 1 769 71 71 THR CA C 61.056 0.300 1 770 71 71 THR CB C 66.204 0.300 1 771 71 71 THR CG2 C 23.538 0.300 1 772 71 71 THR N N 114.784 0.300 1 773 72 72 PRO HA H 4.039 0.020 1 774 72 72 PRO HB2 H 2.313 0.020 2 775 72 72 PRO HB3 H 1.798 0.020 2 776 72 72 PRO HD2 H 3.801 0.020 2 777 72 72 PRO HD3 H 3.722 0.020 2 778 72 72 PRO HG2 H 1.977 0.020 1 779 72 72 PRO HG3 H 1.977 0.020 1 780 72 72 PRO C C 177.732 0.300 1 781 72 72 PRO CA C 66.587 0.300 1 782 72 72 PRO CB C 31.579 0.300 1 783 72 72 PRO CD C 50.673 0.300 1 784 72 72 PRO CG C 27.381 0.300 1 785 73 73 ASN H H 7.573 0.020 1 786 73 73 ASN HA H 5.211 0.020 1 787 73 73 ASN HB2 H 2.675 0.020 2 788 73 73 ASN HB3 H 2.624 0.020 2 789 73 73 ASN HD21 H 7.532 0.020 2 790 73 73 ASN HD22 H 6.877 0.020 2 791 73 73 ASN CA C 50.288 0.300 1 792 73 73 ASN CB C 38.680 0.300 1 793 73 73 ASN N N 113.313 0.300 1 794 73 73 ASN ND2 N 113.386 0.300 1 795 74 74 PRO HA H 4.460 0.020 1 796 74 74 PRO HB2 H 2.153 0.020 2 797 74 74 PRO HB3 H 1.722 0.020 2 798 74 74 PRO HD2 H 3.771 0.020 2 799 74 74 PRO HD3 H 3.702 0.020 2 800 74 74 PRO HG2 H 1.942 0.020 2 801 74 74 PRO HG3 H 1.913 0.020 2 802 74 74 PRO C C 176.030 0.300 1 803 74 74 PRO CA C 64.058 0.300 1 804 74 74 PRO CB C 32.789 0.300 1 805 74 74 PRO CD C 51.549 0.300 1 806 74 74 PRO CG C 27.097 0.300 1 807 75 75 VAL H H 7.784 0.020 1 808 75 75 VAL HA H 4.275 0.020 1 809 75 75 VAL HB H 1.533 0.020 1 810 75 75 VAL HG1 H 0.841 0.020 1 811 75 75 VAL HG2 H 0.812 0.020 1 812 75 75 VAL C C 173.817 0.300 1 813 75 75 VAL CA C 60.620 0.300 1 814 75 75 VAL CB C 36.021 0.300 1 815 75 75 VAL CG1 C 21.326 0.300 1 816 75 75 VAL CG2 C 20.402 0.300 1 817 75 75 VAL N N 120.154 0.300 1 818 76 76 GLU H H 8.412 0.020 1 819 76 76 GLU HA H 5.248 0.020 1 820 76 76 GLU HB2 H 1.842 0.020 2 821 76 76 GLU HB3 H 1.791 0.020 2 822 76 76 GLU HG2 H 2.116 0.020 2 823 76 76 GLU HG3 H 1.941 0.020 2 824 76 76 GLU C C 175.860 0.300 1 825 76 76 GLU CA C 54.541 0.300 1 826 76 76 GLU CB C 31.917 0.300 1 827 76 76 GLU CG C 36.827 0.300 1 828 76 76 GLU N N 125.985 0.300 1 829 77 77 LEU H H 8.582 0.020 1 830 77 77 LEU HA H 4.682 0.020 1 831 77 77 LEU HB2 H 1.582 0.020 2 832 77 77 LEU HB3 H 1.551 0.020 2 833 77 77 LEU HD1 H 0.912 0.020 1 834 77 77 LEU HD2 H 0.865 0.020 1 835 77 77 LEU HG H 1.361 0.020 1 836 77 77 LEU C C 175.293 0.300 1 837 77 77 LEU CA C 53.372 0.300 1 838 77 77 LEU CB C 43.752 0.300 1 839 77 77 LEU CD1 C 23.191 0.300 1 840 77 77 LEU CD2 C 26.207 0.300 1 841 77 77 LEU CG C 26.341 0.300 1 842 77 77 LEU N N 124.585 0.300 1 843 78 78 GLY H H 8.193 0.020 1 844 78 78 GLY HA2 H 5.010 0.020 2 845 78 78 GLY HA3 H 3.735 0.020 2 846 78 78 GLY CA C 43.418 0.300 1 847 78 78 GLY N N 110.549 0.300 1 848 79 79 PRO HA H 3.870 0.020 1 849 79 79 PRO HB2 H 2.331 0.020 1 850 79 79 PRO HB3 H 2.331 0.020 1 851 79 79 PRO HD2 H 4.007 0.020 2 852 79 79 PRO HD3 H 3.440 0.020 2 853 79 79 PRO HG2 H 2.236 0.020 2 854 79 79 PRO HG3 H 1.889 0.020 2 855 79 79 PRO C C 178.115 0.300 1 856 79 79 PRO CA C 64.077 0.300 1 857 79 79 PRO CB C 31.861 0.300 1 858 79 79 PRO CD C 49.544 0.300 1 859 79 79 PRO CG C 28.832 0.300 1 860 80 80 GLY H H 9.354 0.020 1 861 80 80 GLY HA2 H 4.615 0.020 2 862 80 80 GLY HA3 H 3.841 0.020 2 863 80 80 GLY C C 173.590 0.300 1 864 80 80 GLY CA C 45.581 0.300 1 865 80 80 GLY N N 114.416 0.300 1 866 81 81 ALA H H 8.279 0.020 1 867 81 81 ALA HA H 4.578 0.020 1 868 81 81 ALA HB H 1.602 0.020 1 869 81 81 ALA C C 176.115 0.300 1 870 81 81 ALA CA C 51.306 0.300 1 871 81 81 ALA CB C 22.645 0.300 1 872 81 81 ALA N N 122.014 0.300 1 873 82 82 PHE H H 7.883 0.020 1 874 82 82 PHE HA H 5.758 0.020 1 875 82 82 PHE HB2 H 2.700 0.020 2 876 82 82 PHE HB3 H 2.538 0.020 2 877 82 82 PHE HD1 H 7.120 0.020 1 878 82 82 PHE HD2 H 7.120 0.020 1 879 82 82 PHE C C 174.073 0.300 1 880 82 82 PHE CA C 54.191 0.300 1 881 82 82 PHE CB C 43.387 0.300 1 882 82 82 PHE CD1 C 133.590 0.300 1 883 82 82 PHE CD2 C 133.590 0.300 1 884 82 82 PHE N N 112.716 0.300 1 885 83 83 PHE H H 8.892 0.020 1 886 83 83 PHE HA H 5.634 0.020 1 887 83 83 PHE HB2 H 3.221 0.020 2 888 83 83 PHE HB3 H 3.136 0.020 2 889 83 83 PHE C C 174.342 0.300 1 890 83 83 PHE CA C 56.351 0.300 1 891 83 83 PHE CB C 40.850 0.300 1 892 83 83 PHE N N 112.606 0.300 1 893 84 84 GLY H H 9.385 0.020 1 894 84 84 GLY HA2 H 4.264 0.020 2 895 84 84 GLY HA3 H 4.229 0.020 2 896 84 84 GLY C C 172.456 0.300 1 897 84 84 GLY CA C 44.930 0.300 1 898 84 84 GLY N N 108.300 0.300 1 899 85 85 GLU H H 10.367 0.020 1 900 85 85 GLU HA H 3.567 0.020 1 901 85 85 GLU HB2 H 1.684 0.020 2 902 85 85 GLU HB3 H 1.426 0.020 2 903 85 85 GLU C C 177.293 0.300 1 904 85 85 GLU CA C 57.270 0.300 1 905 85 85 GLU CB C 28.575 0.300 1 906 85 85 GLU N N 119.425 0.300 1 907 86 86 MET H H 6.961 0.020 1 908 86 86 MET HA H 3.740 0.020 1 909 86 86 MET HB2 H 2.353 0.020 1 910 86 86 MET HB3 H 2.353 0.020 1 911 86 86 MET HE H 2.027 0.020 1 912 86 86 MET HG2 H 2.632 0.020 1 913 86 86 MET HG3 H 2.632 0.020 1 914 86 86 MET C C 178.768 0.300 1 915 86 86 MET CA C 60.507 0.300 1 916 86 86 MET CB C 32.375 0.300 1 917 86 86 MET CE C 16.012 0.300 1 918 86 86 MET CG C 31.521 0.300 1 919 86 86 MET N N 118.669 0.300 1 920 87 87 ALA H H 8.542 0.020 1 921 87 87 ALA HA H 4.238 0.020 1 922 87 87 ALA HB H 1.299 0.020 1 923 87 87 ALA C C 180.115 0.300 1 924 87 87 ALA CA C 55.068 0.300 1 925 87 87 ALA CB C 20.117 0.300 1 926 87 87 ALA N N 122.723 0.300 1 927 88 88 LEU H H 6.204 0.020 1 928 88 88 LEU HA H 3.776 0.020 1 929 88 88 LEU HB2 H 0.787 0.020 2 930 88 88 LEU HB3 H 0.754 0.020 2 931 88 88 LEU HD1 H 0.131 0.020 1 932 88 88 LEU HD2 H -0.118 0.020 1 933 88 88 LEU HG H 1.263 0.020 1 934 88 88 LEU C C 178.555 0.300 1 935 88 88 LEU CA C 56.521 0.300 1 936 88 88 LEU CB C 40.330 0.300 1 937 88 88 LEU CD1 C 22.268 0.300 1 938 88 88 LEU CD2 C 25.048 0.300 1 939 88 88 LEU CG C 26.569 0.300 1 940 88 88 LEU N N 115.105 0.300 1 941 89 89 ILE H H 7.518 0.020 1 942 89 89 ILE HA H 3.863 0.020 1 943 89 89 ILE HB H 1.647 0.020 1 944 89 89 ILE HD1 H 0.763 0.020 1 945 89 89 ILE HG12 H 1.217 0.020 2 946 89 89 ILE HG13 H 1.196 0.020 2 947 89 89 ILE HG2 H 0.917 0.020 1 948 89 89 ILE C C 177.392 0.300 1 949 89 89 ILE CA C 63.522 0.300 1 950 89 89 ILE CB C 39.503 0.300 1 951 89 89 ILE CD1 C 14.264 0.300 1 952 89 89 ILE CG1 C 29.002 0.300 1 953 89 89 ILE CG2 C 16.905 0.300 1 954 89 89 ILE N N 118.043 0.300 1 955 90 90 SER H H 8.113 0.020 1 956 90 90 SER HA H 4.478 0.020 1 957 90 90 SER HB2 H 3.961 0.020 2 958 90 90 SER HB3 H 3.867 0.020 2 959 90 90 SER C C 175.973 0.300 1 960 90 90 SER CA C 59.287 0.300 1 961 90 90 SER CB C 65.970 0.300 1 962 90 90 SER N N 111.954 0.300 1 963 91 91 GLY H H 7.887 0.020 1 964 91 91 GLY HA2 H 4.160 0.020 2 965 91 91 GLY HA3 H 3.827 0.020 2 966 91 91 GLY C C 173.909 0.300 1 967 91 91 GLY CA C 46.013 0.300 1 968 91 91 GLY N N 112.803 0.300 1 969 92 92 GLU H H 7.884 0.020 1 970 92 92 GLU HA H 4.441 0.020 1 971 92 92 GLU HB2 H 1.687 0.020 1 972 92 92 GLU HB3 H 1.687 0.020 1 973 92 92 GLU HG2 H 2.197 0.020 2 974 92 92 GLU HG3 H 2.156 0.020 2 975 92 92 GLU CA C 54.800 0.300 1 976 92 92 GLU CB C 29.167 0.300 1 977 92 92 GLU CG C 36.653 0.300 1 978 92 92 GLU N N 120.657 0.300 1 979 93 93 PRO HA H 4.377 0.020 1 980 93 93 PRO HB2 H 1.927 0.020 2 981 93 93 PRO HB3 H 1.467 0.020 2 982 93 93 PRO HD2 H 3.738 0.020 2 983 93 93 PRO HD3 H 3.492 0.020 2 984 93 93 PRO HG2 H 1.930 0.020 2 985 93 93 PRO HG3 H 1.838 0.020 2 986 93 93 PRO C C 178.980 0.300 1 987 93 93 PRO CA C 61.779 0.300 1 988 93 93 PRO CB C 32.263 0.300 1 989 93 93 PRO CD C 50.148 0.300 1 990 93 93 PRO CG C 27.470 0.300 1 991 94 94 ARG H H 9.135 0.020 1 992 94 94 ARG HA H 4.347 0.020 1 993 94 94 ARG HB2 H 1.831 0.020 2 994 94 94 ARG HB3 H 1.755 0.020 2 995 94 94 ARG HD2 H 3.173 0.020 2 996 94 94 ARG HD3 H 3.121 0.020 2 997 94 94 ARG HG2 H 1.618 0.020 2 998 94 94 ARG HG3 H 1.554 0.020 2 999 94 94 ARG C C 178.980 0.300 1 1000 94 94 ARG CA C 56.001 0.300 1 1001 94 94 ARG CB C 30.765 0.300 1 1002 94 94 ARG CD C 43.241 0.300 1 1003 94 94 ARG CG C 27.171 0.300 1 1004 94 94 ARG N N 116.573 0.300 1 1005 95 95 SER H H 9.721 0.020 1 1006 95 95 SER HA H 4.257 0.020 1 1007 95 95 SER HB2 H 4.280 0.020 2 1008 95 95 SER HB3 H 4.261 0.020 2 1009 95 95 SER C C 173.647 0.300 1 1010 95 95 SER CA C 59.828 0.300 1 1011 95 95 SER CB C 65.728 0.300 1 1012 95 95 SER N N 118.671 0.300 1 1013 96 96 ALA H H 7.333 0.020 1 1014 96 96 ALA HA H 4.450 0.020 1 1015 96 96 ALA HB H 0.908 0.020 1 1016 96 96 ALA C C 174.500 0.300 1 1017 96 96 ALA CA C 51.373 0.300 1 1018 96 96 ALA CB C 22.051 0.300 1 1019 96 96 ALA N N 120.338 0.300 1 1020 97 97 THR H H 8.669 0.020 1 1021 97 97 THR HA H 4.722 0.020 1 1022 97 97 THR HB H 3.988 0.020 1 1023 97 97 THR HG2 H 1.300 0.020 1 1024 97 97 THR C C 173.661 0.300 1 1025 97 97 THR CA C 61.472 0.300 1 1026 97 97 THR CB C 69.789 0.300 1 1027 97 97 THR CG2 C 22.633 0.300 1 1028 97 97 THR N N 118.741 0.300 1 1029 98 98 VAL H H 8.867 0.020 1 1030 98 98 VAL HA H 4.890 0.020 1 1031 98 98 VAL HB H 1.693 0.020 1 1032 98 98 VAL HG1 H 0.652 0.020 1 1033 98 98 VAL HG2 H -0.174 0.020 1 1034 98 98 VAL C C 174.867 0.300 1 1035 98 98 VAL CA C 60.914 0.300 1 1036 98 98 VAL CB C 33.669 0.300 1 1037 98 98 VAL CG1 C 20.928 0.300 1 1038 98 98 VAL CG2 C 20.504 0.300 1 1039 98 98 VAL N N 127.537 0.300 1 1040 99 99 SER H H 8.854 0.020 1 1041 99 99 SER HA H 5.219 0.020 1 1042 99 99 SER HB2 H 3.464 0.020 2 1043 99 99 SER HB3 H 3.440 0.020 2 1044 99 99 SER C C 172.470 0.300 1 1045 99 99 SER CA C 55.990 0.300 1 1046 99 99 SER CB C 66.329 0.300 1 1047 99 99 SER N N 121.781 0.300 1 1048 100 100 ALA H H 8.860 0.020 1 1049 100 100 ALA HA H 4.244 0.020 1 1050 100 100 ALA HB H 1.609 0.020 1 1051 100 100 ALA C C 177.562 0.300 1 1052 100 100 ALA CA C 53.034 0.300 1 1053 100 100 ALA CB C 19.294 0.300 1 1054 100 100 ALA N N 125.353 0.300 1 1055 101 101 ALA H H 9.109 0.020 1 1056 101 101 ALA HA H 4.313 0.020 1 1057 101 101 ALA HB H 1.215 0.020 1 1058 101 101 ALA C C 177.661 0.300 1 1059 101 101 ALA CA C 54.025 0.300 1 1060 101 101 ALA CB C 18.772 0.300 1 1061 101 101 ALA N N 132.385 0.300 1 1062 102 102 THR H H 7.492 0.020 1 1063 102 102 THR HA H 4.494 0.020 1 1064 102 102 THR HB H 4.628 0.020 1 1065 102 102 THR HG2 H 1.118 0.020 1 1066 102 102 THR C C 173.676 0.300 1 1067 102 102 THR CA C 59.676 0.300 1 1068 102 102 THR CB C 72.639 0.300 1 1069 102 102 THR CG2 C 20.675 0.300 1 1070 102 102 THR N N 109.170 0.300 1 1071 103 103 THR H H 8.387 0.020 1 1072 103 103 THR HA H 4.644 0.020 1 1073 103 103 THR HB H 3.998 0.020 1 1074 103 103 THR HG2 H 1.105 0.020 1 1075 103 103 THR C C 176.668 0.300 1 1076 103 103 THR CA C 65.355 0.300 1 1077 103 103 THR CB C 68.734 0.300 1 1078 103 103 THR CG2 C 22.262 0.300 1 1079 103 103 THR N N 116.091 0.300 1 1080 104 104 VAL H H 9.224 0.020 1 1081 104 104 VAL HA H 5.159 0.020 1 1082 104 104 VAL HB H 1.929 0.020 1 1083 104 104 VAL HG1 H 0.943 0.020 1 1084 104 104 VAL HG2 H 0.927 0.020 1 1085 104 104 VAL C C 173.917 0.300 1 1086 104 104 VAL CA C 59.590 0.300 1 1087 104 104 VAL CB C 36.057 0.300 1 1088 104 104 VAL CG1 C 23.063 0.300 1 1089 104 104 VAL CG2 C 21.899 0.300 1 1090 104 104 VAL N N 130.429 0.300 1 1091 105 105 SER H H 8.664 0.020 1 1092 105 105 SER HA H 5.185 0.020 1 1093 105 105 SER HB2 H 3.828 0.020 2 1094 105 105 SER HB3 H 3.747 0.020 2 1095 105 105 SER C C 173.335 0.300 1 1096 105 105 SER CA C 56.840 0.300 1 1097 105 105 SER CB C 64.326 0.300 1 1098 105 105 SER N N 121.217 0.300 1 1099 106 106 LEU H H 9.328 0.020 1 1100 106 106 LEU HA H 5.631 0.020 1 1101 106 106 LEU HB2 H 1.898 0.020 2 1102 106 106 LEU HB3 H 1.643 0.020 2 1103 106 106 LEU HD1 H 0.938 0.020 1 1104 106 106 LEU HD2 H 0.759 0.020 1 1105 106 106 LEU HG H 1.749 0.020 1 1106 106 106 LEU C C 177.037 0.300 1 1107 106 106 LEU CA C 53.073 0.300 1 1108 106 106 LEU CB C 47.168 0.300 1 1109 106 106 LEU CD1 C 26.096 0.300 1 1110 106 106 LEU CD2 C 26.441 0.300 1 1111 106 106 LEU CG C 27.014 0.300 1 1112 106 106 LEU N N 125.430 0.300 1 1113 107 107 LEU H H 9.025 0.020 1 1114 107 107 LEU HA H 5.311 0.020 1 1115 107 107 LEU HB2 H 1.843 0.020 2 1116 107 107 LEU HB3 H 1.524 0.020 2 1117 107 107 LEU HD1 H 0.833 0.020 1 1118 107 107 LEU HD2 H 0.710 0.020 1 1119 107 107 LEU HG H 1.620 0.020 1 1120 107 107 LEU C C 176.229 0.300 1 1121 107 107 LEU CA C 53.362 0.300 1 1122 107 107 LEU CB C 46.262 0.300 1 1123 107 107 LEU CD1 C 23.120 0.300 1 1124 107 107 LEU CD2 C 26.476 0.300 1 1125 107 107 LEU CG C 26.421 0.300 1 1126 107 107 LEU N N 120.356 0.300 1 1127 108 108 SER H H 9.598 0.020 1 1128 108 108 SER HA H 5.372 0.020 1 1129 108 108 SER HB2 H 3.635 0.020 2 1130 108 108 SER HB3 H 3.435 0.020 2 1131 108 108 SER C C 172.810 0.300 1 1132 108 108 SER CA C 56.289 0.300 1 1133 108 108 SER CB C 66.597 0.300 1 1134 108 108 SER N N 117.869 0.300 1 1135 109 109 LEU H H 8.294 0.020 1 1136 109 109 LEU HA H 4.935 0.020 1 1137 109 109 LEU HB2 H 1.705 0.020 2 1138 109 109 LEU HB3 H 1.301 0.020 2 1139 109 109 LEU HD1 H 0.965 0.020 1 1140 109 109 LEU HD2 H 0.768 0.020 1 1141 109 109 LEU HG H 1.640 0.020 1 1142 109 109 LEU C C 175.051 0.300 1 1143 109 109 LEU CA C 52.799 0.300 1 1144 109 109 LEU CB C 46.601 0.300 1 1145 109 109 LEU CD1 C 25.147 0.300 1 1146 109 109 LEU CD2 C 24.592 0.300 1 1147 109 109 LEU CG C 26.955 0.300 1 1148 109 109 LEU N N 124.403 0.300 1 1149 110 110 HIS H H 9.685 0.020 1 1150 110 110 HIS HA H 4.425 0.020 1 1151 110 110 HIS HB2 H 3.268 0.020 1 1152 110 110 HIS HB3 H 3.268 0.020 1 1153 110 110 HIS HD2 H 6.925 0.020 1 1154 110 110 HIS HE1 H 7.683 0.020 1 1155 110 110 HIS C C 176.285 0.300 1 1156 110 110 HIS CA C 57.888 0.300 1 1157 110 110 HIS CB C 31.638 0.300 1 1158 110 110 HIS CD2 C 119.912 0.300 1 1159 110 110 HIS CE1 C 138.371 0.300 1 1160 110 110 HIS N N 126.964 0.300 1 1161 111 111 SER H H 7.771 0.020 1 1162 111 111 SER HA H 3.766 0.020 1 1163 111 111 SER HB2 H 3.674 0.020 2 1164 111 111 SER HB3 H 3.569 0.020 2 1165 111 111 SER C C 175.817 0.300 1 1166 111 111 SER CA C 62.209 0.300 1 1167 111 111 SER CB C 62.859 0.300 1 1168 111 111 SER N N 118.452 0.300 1 1169 112 112 ALA H H 9.640 0.020 1 1170 112 112 ALA HA H 4.203 0.020 1 1171 112 112 ALA HB H 1.502 0.020 1 1172 112 112 ALA C C 180.569 0.300 1 1173 112 112 ALA CA C 55.923 0.300 1 1174 112 112 ALA CB C 18.306 0.300 1 1175 112 112 ALA N N 124.680 0.300 1 1176 113 113 ASP H H 7.295 0.020 1 1177 113 113 ASP HA H 4.606 0.020 1 1178 113 113 ASP HB2 H 2.699 0.020 2 1179 113 113 ASP HB3 H 2.500 0.020 2 1180 113 113 ASP C C 177.746 0.300 1 1181 113 113 ASP CA C 56.749 0.300 1 1182 113 113 ASP CB C 42.292 0.300 1 1183 113 113 ASP N N 117.416 0.300 1 1184 114 114 PHE H H 8.686 0.020 1 1185 114 114 PHE HA H 4.042 0.020 1 1186 114 114 PHE HB2 H 3.232 0.020 2 1187 114 114 PHE HB3 H 2.516 0.020 2 1188 114 114 PHE HD1 H 6.816 0.020 1 1189 114 114 PHE HD2 H 6.816 0.020 1 1190 114 114 PHE HE1 H 6.348 0.020 1 1191 114 114 PHE HE2 H 6.348 0.020 1 1192 114 114 PHE HZ H 6.528 0.020 1 1193 114 114 PHE C C 176.980 0.300 1 1194 114 114 PHE CA C 61.686 0.300 1 1195 114 114 PHE CB C 38.984 0.300 1 1196 114 114 PHE CD1 C 131.630 0.300 1 1197 114 114 PHE CD2 C 131.630 0.300 1 1198 114 114 PHE CE1 C 131.739 0.300 1 1199 114 114 PHE CE2 C 131.739 0.300 1 1200 114 114 PHE CZ C 128.846 0.300 1 1201 114 114 PHE N N 123.034 0.300 1 1202 115 115 GLN H H 8.392 0.020 1 1203 115 115 GLN HA H 3.812 0.020 1 1204 115 115 GLN HB2 H 2.160 0.020 2 1205 115 115 GLN HB3 H 2.121 0.020 2 1206 115 115 GLN HE21 H 7.501 0.020 2 1207 115 115 GLN HE22 H 6.849 0.020 2 1208 115 115 GLN HG2 H 2.574 0.020 2 1209 115 115 GLN HG3 H 2.537 0.020 2 1210 115 115 GLN C C 178.796 0.300 1 1211 115 115 GLN CA C 59.008 0.300 1 1212 115 115 GLN CB C 27.517 0.300 1 1213 115 115 GLN CG C 33.492 0.300 1 1214 115 115 GLN N N 119.695 0.300 1 1215 115 115 GLN NE2 N 111.638 0.300 1 1216 116 116 MET H H 7.390 0.020 1 1217 116 116 MET HA H 4.089 0.020 1 1218 116 116 MET HB2 H 2.305 0.020 2 1219 116 116 MET HB3 H 2.233 0.020 2 1220 116 116 MET HE H 1.998 0.020 1 1221 116 116 MET HG2 H 2.733 0.020 2 1222 116 116 MET HG3 H 2.481 0.020 2 1223 116 116 MET C C 178.768 0.300 1 1224 116 116 MET CA C 58.996 0.300 1 1225 116 116 MET CB C 31.494 0.300 1 1226 116 116 MET CE C 16.972 0.300 1 1227 116 116 MET CG C 31.831 0.300 1 1228 116 116 MET N N 120.334 0.300 1 1229 117 117 LEU H H 8.306 0.020 1 1230 117 117 LEU HA H 3.818 0.020 1 1231 117 117 LEU HB2 H 2.076 0.020 2 1232 117 117 LEU HB3 H 1.497 0.020 2 1233 117 117 LEU HD1 H 0.970 0.020 1 1234 117 117 LEU HD2 H 0.881 0.020 1 1235 117 117 LEU C C 177.832 0.300 1 1236 117 117 LEU CA C 58.418 0.300 1 1237 117 117 LEU CB C 41.322 0.300 1 1238 117 117 LEU CD1 C 26.541 0.300 1 1239 117 117 LEU CD2 C 23.943 0.300 1 1240 117 117 LEU N N 123.396 0.300 1 1241 118 118 CYS H H 7.962 0.020 1 1242 118 118 CYS HA H 3.733 0.020 1 1243 118 118 CYS HB2 H 2.704 0.020 2 1244 118 118 CYS HB3 H 2.462 0.020 2 1245 118 118 CYS C C 176.356 0.300 1 1246 118 118 CYS CA C 63.931 0.300 1 1247 118 118 CYS CB C 26.886 0.300 1 1248 118 118 CYS N N 114.658 0.300 1 1249 119 119 SER H H 7.990 0.020 1 1250 119 119 SER HA H 4.112 0.020 1 1251 119 119 SER HB2 H 3.916 0.020 2 1252 119 119 SER HB3 H 3.878 0.020 2 1253 119 119 SER C C 175.775 0.300 1 1254 119 119 SER CA C 60.881 0.300 1 1255 119 119 SER CB C 63.075 0.300 1 1256 119 119 SER N N 113.584 0.300 1 1257 120 120 SER H H 7.898 0.020 1 1258 120 120 SER HA H 4.329 0.020 1 1259 120 120 SER HB2 H 3.888 0.020 2 1260 120 120 SER HB3 H 3.863 0.020 2 1261 120 120 SER CA C 60.560 0.300 1 1262 120 120 SER CB C 64.127 0.300 1 1263 120 120 SER N N 115.447 0.300 1 1264 121 121 SER H H 7.537 0.020 1 1265 121 121 SER HA H 4.953 0.020 1 1266 121 121 SER HB2 H 3.723 0.020 2 1267 121 121 SER HB3 H 3.639 0.020 2 1268 121 121 SER CA C 54.597 0.300 1 1269 121 121 SER CB C 62.812 0.300 1 1270 121 121 SER N N 114.338 0.300 1 1271 122 122 PRO HA H 4.335 0.020 1 1272 122 122 PRO HB2 H 2.395 0.020 2 1273 122 122 PRO HB3 H 1.933 0.020 2 1274 122 122 PRO HD2 H 3.898 0.020 2 1275 122 122 PRO HD3 H 3.484 0.020 2 1276 122 122 PRO HG2 H 2.129 0.020 2 1277 122 122 PRO HG3 H 2.004 0.020 2 1278 122 122 PRO C C 178.995 0.300 1 1279 122 122 PRO CA C 64.773 0.300 1 1280 122 122 PRO CB C 31.908 0.300 1 1281 122 122 PRO CD C 50.250 0.300 1 1282 122 122 PRO CG C 27.603 0.300 1 1283 123 123 GLU H H 8.730 0.020 1 1284 123 123 GLU HA H 4.013 0.020 1 1285 123 123 GLU HB2 H 1.965 0.020 2 1286 123 123 GLU HB3 H 1.813 0.020 2 1287 123 123 GLU HG2 H 2.284 0.020 2 1288 123 123 GLU HG3 H 2.188 0.020 2 1289 123 123 GLU C C 179.193 0.300 1 1290 123 123 GLU CA C 59.830 0.300 1 1291 123 123 GLU CB C 29.273 0.300 1 1292 123 123 GLU CG C 36.661 0.300 1 1293 123 123 GLU N N 117.411 0.300 1 1294 124 124 ILE H H 7.617 0.020 1 1295 124 124 ILE HA H 3.499 0.020 1 1296 124 124 ILE HB H 1.724 0.020 1 1297 124 124 ILE HD1 H 0.666 0.020 1 1298 124 124 ILE HG12 H 1.314 0.020 2 1299 124 124 ILE HG13 H 0.860 0.020 2 1300 124 124 ILE HG2 H 0.462 0.020 1 1301 124 124 ILE C C 177.562 0.300 1 1302 124 124 ILE CA C 63.984 0.300 1 1303 124 124 ILE CB C 36.714 0.300 1 1304 124 124 ILE CD1 C 12.858 0.300 1 1305 124 124 ILE CG1 C 29.953 0.300 1 1306 124 124 ILE CG2 C 18.247 0.300 1 1307 124 124 ILE N N 121.060 0.300 1 1308 125 125 ALA H H 8.164 0.020 1 1309 125 125 ALA HA H 4.001 0.020 1 1310 125 125 ALA HB H 1.538 0.020 1 1311 125 125 ALA C C 180.058 0.300 1 1312 125 125 ALA CA C 55.969 0.300 1 1313 125 125 ALA CB C 18.286 0.300 1 1314 125 125 ALA N N 122.501 0.300 1 1315 126 126 GLU H H 7.825 0.020 1 1316 126 126 GLU HA H 4.199 0.020 1 1317 126 126 GLU HB2 H 2.098 0.020 2 1318 126 126 GLU HB3 H 2.026 0.020 2 1319 126 126 GLU HG2 H 2.343 0.020 2 1320 126 126 GLU HG3 H 2.282 0.020 2 1321 126 126 GLU C C 178.314 0.300 1 1322 126 126 GLU CA C 58.674 0.300 1 1323 126 126 GLU CB C 29.336 0.300 1 1324 126 126 GLU CG C 35.671 0.300 1 1325 126 126 GLU N N 116.092 0.300 1 1326 127 127 ILE H H 7.398 0.020 1 1327 127 127 ILE HA H 3.748 0.020 1 1328 127 127 ILE HB H 1.740 0.020 1 1329 127 127 ILE HD1 H 0.745 0.020 1 1330 127 127 ILE HG12 H 1.084 0.020 2 1331 127 127 ILE HG13 H 1.063 0.020 2 1332 127 127 ILE HG2 H 0.821 0.020 1 1333 127 127 ILE C C 180.399 0.300 1 1334 127 127 ILE CA C 65.567 0.300 1 1335 127 127 ILE CB C 37.737 0.300 1 1336 127 127 ILE CD1 C 13.674 0.300 1 1337 127 127 ILE CG1 C 29.147 0.300 1 1338 127 127 ILE CG2 C 16.555 0.300 1 1339 127 127 ILE N N 121.271 0.300 1 1340 128 128 PHE H H 8.115 0.020 1 1341 128 128 PHE HA H 4.397 0.020 1 1342 128 128 PHE HB2 H 3.174 0.020 2 1343 128 128 PHE HB3 H 2.962 0.020 2 1344 128 128 PHE HD1 H 6.659 0.020 1 1345 128 128 PHE HD2 H 6.659 0.020 1 1346 128 128 PHE HE1 H 6.314 0.020 1 1347 128 128 PHE HE2 H 6.314 0.020 1 1348 128 128 PHE C C 177.335 0.300 1 1349 128 128 PHE CA C 60.507 0.300 1 1350 128 128 PHE CB C 38.131 0.300 1 1351 128 128 PHE CD1 C 130.729 0.300 1 1352 128 128 PHE CD2 C 130.729 0.300 1 1353 128 128 PHE CE1 C 130.734 0.300 1 1354 128 128 PHE CE2 C 130.734 0.300 1 1355 128 128 PHE N N 120.453 0.300 1 1356 129 129 ARG H H 8.450 0.020 1 1357 129 129 ARG HA H 3.987 0.020 1 1358 129 129 ARG HB2 H 1.966 0.020 2 1359 129 129 ARG HB3 H 1.925 0.020 2 1360 129 129 ARG HD2 H 3.193 0.020 1 1361 129 129 ARG HD3 H 3.193 0.020 1 1362 129 129 ARG HG2 H 1.519 0.020 1 1363 129 129 ARG HG3 H 1.519 0.020 1 1364 129 129 ARG C C 179.207 0.300 1 1365 129 129 ARG CA C 60.390 0.300 1 1366 129 129 ARG CB C 30.661 0.300 1 1367 129 129 ARG CD C 43.221 0.300 1 1368 129 129 ARG CG C 28.245 0.300 1 1369 129 129 ARG N N 118.735 0.300 1 1370 130 130 LYS H H 8.923 0.020 1 1371 130 130 LYS HA H 4.008 0.020 1 1372 130 130 LYS HB2 H 2.005 0.020 2 1373 130 130 LYS HB3 H 1.902 0.020 2 1374 130 130 LYS HD2 H 1.689 0.020 2 1375 130 130 LYS HD3 H 1.652 0.020 2 1376 130 130 LYS HE2 H 2.965 0.020 2 1377 130 130 LYS HE3 H 2.900 0.020 2 1378 130 130 LYS HG2 H 1.611 0.020 2 1379 130 130 LYS HG3 H 1.453 0.020 2 1380 130 130 LYS C C 179.496 0.300 1 1381 130 130 LYS CA C 59.787 0.300 1 1382 130 130 LYS CB C 32.389 0.300 1 1383 130 130 LYS CD C 29.461 0.300 1 1384 130 130 LYS CE C 42.064 0.300 1 1385 130 130 LYS CG C 25.461 0.300 1 1386 130 130 LYS N N 119.452 0.300 1 1387 131 131 THR H H 8.184 0.020 1 1388 131 131 THR HA H 3.977 0.020 1 1389 131 131 THR HB H 4.448 0.020 1 1390 131 131 THR HG2 H 1.118 0.020 1 1391 131 131 THR C C 175.463 0.300 1 1392 131 131 THR CA C 67.323 0.300 1 1393 131 131 THR CB C 68.722 0.300 1 1394 131 131 THR CG2 C 22.269 0.300 1 1395 131 131 THR N N 117.314 0.300 1 1396 132 132 ALA H H 8.400 0.020 1 1397 132 132 ALA HA H 3.954 0.020 1 1398 132 132 ALA HB H 1.534 0.020 1 1399 132 132 ALA C C 179.605 0.300 1 1400 132 132 ALA CA C 55.518 0.300 1 1401 132 132 ALA CB C 19.052 0.300 1 1402 132 132 ALA N N 123.696 0.300 1 1403 133 133 LEU H H 7.736 0.020 1 1404 133 133 LEU HA H 4.025 0.020 1 1405 133 133 LEU HB2 H 1.847 0.020 2 1406 133 133 LEU HB3 H 1.657 0.020 2 1407 133 133 LEU HD1 H 0.902 0.020 1 1408 133 133 LEU HD2 H 0.874 0.020 1 1409 133 133 LEU HG H 1.771 0.020 1 1410 133 133 LEU C C 180.307 0.300 1 1411 133 133 LEU CA C 57.982 0.300 1 1412 133 133 LEU CB C 41.986 0.300 1 1413 133 133 LEU CD1 C 24.815 0.300 1 1414 133 133 LEU CD2 C 23.918 0.300 1 1415 133 133 LEU CG C 27.025 0.300 1 1416 133 133 LEU N N 117.241 0.300 1 1417 134 134 GLU H H 8.075 0.020 1 1418 134 134 GLU HA H 4.018 0.020 1 1419 134 134 GLU HB2 H 2.266 0.020 2 1420 134 134 GLU HB3 H 2.225 0.020 2 1421 134 134 GLU HG2 H 2.435 0.020 2 1422 134 134 GLU HG3 H 2.089 0.020 2 1423 134 134 GLU C C 179.675 0.300 1 1424 134 134 GLU CA C 59.057 0.300 1 1425 134 134 GLU CB C 29.529 0.300 1 1426 134 134 GLU CG C 36.394 0.300 1 1427 134 134 GLU N N 120.948 0.300 1 1428 135 135 ARG H H 8.063 0.020 1 1429 135 135 ARG HA H 3.879 0.020 1 1430 135 135 ARG HB2 H 1.536 0.020 1 1431 135 135 ARG HB3 H 1.536 0.020 1 1432 135 135 ARG C C 177.321 0.300 1 1433 135 135 ARG CA C 58.890 0.300 1 1434 135 135 ARG CB C 31.305 0.300 1 1435 135 135 ARG N N 119.435 0.300 1 1436 136 136 ARG H H 7.842 0.020 1 1437 136 136 ARG HA H 4.103 0.020 1 1438 136 136 ARG HB2 H 1.953 0.020 2 1439 136 136 ARG HB3 H 1.919 0.020 2 1440 136 136 ARG HD2 H 3.217 0.020 2 1441 136 136 ARG HD3 H 3.169 0.020 2 1442 136 136 ARG HG2 H 1.811 0.020 2 1443 136 136 ARG HG3 H 1.524 0.020 2 1444 136 136 ARG C C 178.030 0.300 1 1445 136 136 ARG CA C 58.050 0.300 1 1446 136 136 ARG CB C 30.631 0.300 1 1447 136 136 ARG CD C 43.310 0.300 1 1448 136 136 ARG CG C 28.302 0.300 1 1449 136 136 ARG N N 119.502 0.300 1 1450 137 137 GLY H H 7.925 0.020 1 1451 137 137 GLY HA2 H 3.990 0.020 2 1452 137 137 GLY HA3 H 3.962 0.020 2 1453 137 137 GLY C C 174.328 0.300 1 1454 137 137 GLY CA C 45.690 0.300 1 1455 137 137 GLY N N 106.919 0.300 1 1456 138 138 ALA H H 8.008 0.020 1 1457 138 138 ALA HA H 4.338 0.020 1 1458 138 138 ALA HB H 1.449 0.020 1 1459 138 138 ALA C C 177.704 0.300 1 1460 138 138 ALA CA C 52.660 0.300 1 1461 138 138 ALA CB C 19.307 0.300 1 1462 138 138 ALA N N 123.483 0.300 1 1463 139 139 ALA H H 8.093 0.020 1 1464 139 139 ALA HA H 4.336 0.020 1 1465 139 139 ALA HB H 1.441 0.020 1 1466 139 139 ALA C C 177.560 0.300 1 1467 139 139 ALA CA C 52.526 0.300 1 1468 139 139 ALA CB C 18.987 0.300 1 1469 139 139 ALA N N 122.386 0.300 1 1470 140 140 ALA H H 8.121 0.020 1 1471 140 140 ALA HA H 4.337 0.020 1 1472 140 140 ALA HB H 1.422 0.020 1 1473 140 140 ALA C C 177.661 0.300 1 1474 140 140 ALA CA C 52.459 0.300 1 1475 140 140 ALA CB C 19.406 0.300 1 1476 140 140 ALA N N 122.729 0.300 1 1477 141 141 SER H H 8.166 0.020 1 1478 141 141 SER HA H 4.422 0.020 1 1479 141 141 SER HB2 H 3.874 0.020 2 1480 141 141 SER HB3 H 3.841 0.020 2 1481 141 141 SER C C 173.236 0.300 1 1482 141 141 SER CA C 58.232 0.300 1 1483 141 141 SER CB C 64.070 0.300 1 1484 141 141 SER N N 115.259 0.300 1 1485 142 142 ALA H H 7.940 0.020 1 1486 142 142 ALA HA H 4.126 0.020 1 1487 142 142 ALA HB H 1.327 0.020 1 1488 142 142 ALA CA C 53.943 0.300 1 1489 142 142 ALA CB C 20.235 0.300 1 1490 142 142 ALA N N 131.436 0.300 1 stop_ save_