data_6265 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Structure and Biochemical Function of a Prototypical Arabidopsis U-box Domain ; _BMRB_accession_number 6265 _BMRB_flat_file_name bmr6265.str _Entry_type original _Submission_date 2004-07-16 _Accession_date 2004-07-16 _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 Andersen P. . . 2 Kragelund B. B. . 3 Olsen A. N. . 4 Larsen F. H. . 5 Chua N.-H. . . 6 Poulsen F. M. . 7 Skriver K. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 414 "13C chemical shifts" 256 "15N chemical shifts" 63 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2005-02-08 original author . stop_ _Original_release_date 2005-02-08 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Structure and Biochemical Function of a Prototypical Arabidopsis U-box Domain' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 15231834 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Andersen P. . . 2 Kragelund B. B. . 3 Olsen A. N. . 4 Larsen F. H. . 5 Chua N.-H. . . 6 Poulsen F. M. . 7 Skriver K. . . stop_ _Journal_abbreviation 'J. Biol. Chem.' _Journal_volume 279 _Journal_issue 38 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 40053 _Page_last 40061 _Year 2004 _Details . loop_ _Keyword ARABIDOPSIS 'E3 LIGASE' NMR 'UBIQUITIN LIGASE' U-BOX stop_ save_ ################################## # Molecular system description # ################################## save_system_UBOX _Saveframe_category molecular_system _Mol_system_name 'armadillo repeat and U-box containing protein' _Abbreviation_common 'ARM & UBOX' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label PUB14 $UBOX stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'all free' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_UBOX _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common PUB14 _Abbreviation_common PUB14 _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 78 _Mol_residue_sequence ; GSPEFPEYFRCPISLELMKD PVIVSTGQTYERSSIQKWLD AGHKTCPKSQETLLHAGLTP NYVLKSLIALWCESNGIE ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 244 GLY 2 245 SER 3 246 PRO 4 247 GLU 5 248 PHE 6 249 PRO 7 250 GLU 8 251 TYR 9 252 PHE 10 253 ARG 11 254 CYS 12 255 PRO 13 256 ILE 14 257 SER 15 258 LEU 16 259 GLU 17 260 LEU 18 261 MET 19 262 LYS 20 263 ASP 21 264 PRO 22 265 VAL 23 266 ILE 24 267 VAL 25 268 SER 26 269 THR 27 270 GLY 28 271 GLN 29 272 THR 30 273 TYR 31 274 GLU 32 275 ARG 33 276 SER 34 277 SER 35 278 ILE 36 279 GLN 37 280 LYS 38 281 TRP 39 282 LEU 40 283 ASP 41 284 ALA 42 285 GLY 43 286 HIS 44 287 LYS 45 288 THR 46 289 CYS 47 290 PRO 48 291 LYS 49 292 SER 50 293 GLN 51 294 GLU 52 295 THR 53 296 LEU 54 297 LEU 55 298 HIS 56 299 ALA 57 300 GLY 58 301 LEU 59 302 THR 60 303 PRO 61 304 ASN 62 305 TYR 63 306 VAL 64 307 LEU 65 308 LYS 66 309 SER 67 310 LEU 68 311 ILE 69 312 ALA 70 313 LEU 71 314 TRP 72 315 CYS 73 316 GLU 74 317 SER 75 318 ASN 76 319 GLY 77 320 ILE 78 321 GLU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-28 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 1T1H "Nmr Solution Structure Of The U Box Domain From Atpub14, An Armadillo Repeat Containing Protein From Arabidopsis Thaliana" 100.00 78 100.00 100.00 4.99e-50 DBJ BAH57001 "AT3G54850 [Arabidopsis thaliana]" 98.72 371 97.40 97.40 1.05e-45 GB AAL38755 "unknown protein [Arabidopsis thaliana]" 98.72 632 97.40 97.40 3.42e-46 GB AAM20180 "unknown protein [Arabidopsis thaliana]" 98.72 632 97.40 97.40 3.42e-46 GB AEE79300 "U-box domain-containing protein 14 [Arabidopsis thaliana]" 98.72 632 97.40 97.40 3.42e-46 GB EFH52534 "armadillo/beta-catenin repeat family protein [Arabidopsis lyrata subsp. lyrata]" 98.72 631 97.40 97.40 1.82e-46 REF NP_191045 "U-box domain-containing protein 14 [Arabidopsis thaliana]" 98.72 632 97.40 97.40 3.42e-46 REF XP_002876275 "armadillo/beta-catenin repeat family protein [Arabidopsis lyrata subsp. lyrata]" 98.72 631 97.40 97.40 1.82e-46 REF XP_010427209 "PREDICTED: U-box domain-containing protein 14-like [Camelina sativa]" 98.72 632 97.40 97.40 8.64e-47 REF XP_010504312 "PREDICTED: U-box domain-containing protein 14 [Camelina sativa]" 98.72 631 97.40 97.40 8.60e-47 REF XP_010516027 "PREDICTED: U-box domain-containing protein 14-like [Camelina sativa]" 98.72 631 97.40 97.40 8.60e-47 SP Q8VZ40 "RecName: Full=U-box domain-containing protein 14; AltName: Full=E3 ubiquitin-protein ligase PUB14; AltName: Full=Plant U-box pr" 98.72 632 97.40 97.40 3.42e-46 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $UBOX 'thale cress' 8754 Eukaryota Viridiplantae Arabidopsis thaliana 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 $UBOX 'recombinant technology' 'E. coli' Escherichia coli BL21(DE3) PGEX-4T-1 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 $UBOX 0.9 mM '[U-15N; U-13C]' 'sodium phosphate' 20 mM . NaCl 0.15 M . DTT 1 mM . D20 10 % . H20 90 % . stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $UBOX 0.6 mM '[U-15N; U-13C]' 'sodium phosphate' 20 mM . NaCl 0.15 M . DTT 1 mM . D20 10 % . H20 90 % . stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $UBOX 0.6 mM [U-15N] 'sodium phosphate' 20 mM . NaCl 0.15 M . DTT 1 mM . D20 10 % . H20 90 % . stop_ save_ save_sample_4 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $UBOX 0.4 mM '[U-15N; U-13C]' 'sodium phosphate' 20 mM . NaCl 0.15 M . DTT 1 mM . D20 99.96 % . H20 0.04 % . stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Task processing stop_ _Details . save_ save_PRONTO _Saveframe_category software _Name PRONTO _Version 20020517 loop_ _Task 'data analysis' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version . loop_ _Task 'structure calculation' stop_ _Details . save_ save_X-PLOR _Saveframe_category software _Name X-PLOR _Version V3.840 loop_ _Task 'structure calculation' stop_ _Details . save_ save_CNS _Saveframe_category software _Name CNS _Version 1.1 loop_ _Task refinement stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model 'UNITY INOVA' _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '15N HSQC' _Sample_label . save_ save_HNCACB_2 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _Sample_label . save_ save_CBCA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name CBCA(CO)NH _Sample_label . save_ save_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _Sample_label . save_ save_HN(CA)CO_5 _Saveframe_category NMR_applied_experiment _Experiment_name HN(CA)CO _Sample_label . save_ save_(HB)CB(CGCD)HD_6 _Saveframe_category NMR_applied_experiment _Experiment_name (HB)CB(CGCD)HD _Sample_label . save_ save_3D_15N-separated_TOCSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated TOCSY' _Sample_label . save_ save_3D_15N-separated_NOESY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _Sample_label . save_ save_3D_13C-separated_TOCSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated TOCSY' _Sample_label . save_ save_3D_13C-separated_NOESY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY' _Sample_label . save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name '15N HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_3 _Saveframe_category NMR_applied_experiment _Experiment_name CBCA(CO)NH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_4 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_5 _Saveframe_category NMR_applied_experiment _Experiment_name HN(CA)CO _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_6 _Saveframe_category NMR_applied_experiment _Experiment_name (HB)CB(CGCD)HD _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated TOCSY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated TOCSY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.17 . M pH 7.5 . n/a pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _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 . C 13 . ppm . . . . . . . H 1 . ppm . . . . . . . N 15 . ppm . . . . . . 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_chemical_shift_set_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name PUB14 _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 . 2 SER HB2 H 3.88 0.02 2 2 . 2 SER HA H 4.89 0.02 1 3 . 2 SER CA C 56.63 0.20 1 4 . 2 SER HB3 H 3.97 0.02 2 5 . 2 SER CB C 63.16 0.20 1 6 . 3 PRO HA H 4.54 0.02 1 7 . 3 PRO CA C 63.15 0.20 1 8 . 3 PRO HB3 H 2.33 0.02 2 9 . 3 PRO HB2 H 1.92 0.02 2 10 . 3 PRO HG2 H 2.08 0.02 2 11 . 3 PRO HD2 H 3.78 0.02 2 12 . 3 PRO HD3 H 3.91 0.02 2 13 . 3 PRO CD C 50.69 0.20 1 14 . 3 PRO CB C 32.12 0.20 1 15 . 3 PRO CG C 27.48 0.20 1 16 . 5 PHE HE1 H 7.37 0.02 3 17 . 5 PHE CE1 C 131.45 0.20 3 18 . 5 PHE HD1 H 7.14 0.02 3 19 . 5 PHE CD1 C 132.56 0.20 3 20 . 5 PHE HZ H 7.37 0.02 1 21 . 5 PHE CZ C 130.34 0.20 1 22 . 5 PHE HA H 4.54 0.02 1 23 . 5 PHE CA C 54.98 0.20 1 24 . 5 PHE HB2 H 2.52 0.02 2 25 . 5 PHE CB C 37.76 0.20 1 26 . 7 GLU CA C 55.76 0.20 1 27 . 7 GLU CB C 30.27 0.20 1 28 . 7 GLU HA H 4.27 0.02 1 29 . 7 GLU HG3 H 2.28 0.02 2 30 . 7 GLU HB3 H 1.98 0.02 2 31 . 7 GLU HB2 H 1.89 0.02 2 32 . 7 GLU HG2 H 2.21 0.02 2 33 . 7 GLU CG C 36.25 0.20 1 34 . 8 TYR CB C 37.34 0.20 1 35 . 8 TYR CA C 58.11 0.20 1 36 . 8 TYR HE1 H 6.70 0.02 3 37 . 8 TYR HD1 H 6.97 0.02 3 38 . 8 TYR CE1 C 118.78 0.20 3 39 . 8 TYR CD1 C 132.59 0.20 3 40 . 8 TYR HA H 4.38 0.02 1 41 . 8 TYR HB3 H 3.14 0.02 2 42 . 8 TYR HB2 H 2.51 0.02 2 43 . 9 PHE H H 7.48 0.02 1 44 . 9 PHE N N 115.87 0.15 1 45 . 9 PHE CA C 53.51 0.20 1 46 . 9 PHE CB C 37.68 0.20 1 47 . 9 PHE HA H 4.75 0.02 1 48 . 9 PHE HB2 H 2.88 0.02 2 49 . 9 PHE HB3 H 3.39 0.02 2 50 . 9 PHE HD1 H 6.55 0.02 3 51 . 9 PHE CD1 C 129.03 0.20 3 52 . 9 PHE HZ H 7.08 0.02 1 53 . 9 PHE CZ C 128.92 0.20 1 54 . 9 PHE HE1 H 6.99 0.02 3 55 . 9 PHE CE1 C 131.26 0.20 3 56 . 10 ARG H H 7.45 0.02 1 57 . 10 ARG N N 118.92 0.15 1 58 . 10 ARG CB C 31.96 0.20 1 59 . 10 ARG CA C 54.70 0.20 1 60 . 10 ARG HA H 4.55 0.02 1 61 . 10 ARG HB2 H 1.71 0.02 2 62 . 10 ARG HB3 H 1.30 0.02 2 63 . 10 ARG CG C 27.63 0.20 1 64 . 10 ARG HG2 H 1.56 0.02 2 65 . 10 ARG HD3 H 3.09 0.02 2 66 . 10 ARG HD2 H 3.18 0.02 2 67 . 10 ARG CD C 43.52 0.20 1 68 . 10 ARG HG3 H 1.39 0.02 2 69 . 11 CYS H H 8.88 0.02 1 70 . 11 CYS N N 131.61 0.15 1 71 . 11 CYS CA C 58.84 0.20 1 72 . 11 CYS CB C 30.01 0.20 1 73 . 11 CYS HB3 H 3.50 0.02 2 74 . 11 CYS HA H 4.73 0.02 1 75 . 11 CYS HB2 H 2.86 0.02 2 76 . 12 PRO CB C 33.49 0.20 1 77 . 12 PRO CA C 64.42 0.20 1 78 . 12 PRO HA H 4.43 0.02 1 79 . 12 PRO HB3 H 2.49 0.02 2 80 . 12 PRO HB2 H 1.85 0.02 2 81 . 12 PRO CG C 27.60 0.20 1 82 . 12 PRO HG2 H 1.74 0.02 2 83 . 12 PRO HG3 H 1.96 0.02 2 84 . 12 PRO HD2 H 4.19 0.02 2 85 . 12 PRO CD C 52.51 0.20 1 86 . 13 ILE H H 10.48 0.02 1 87 . 13 ILE N N 120.22 0.15 1 88 . 13 ILE CA C 63.76 0.20 1 89 . 13 ILE CB C 39.40 0.20 1 90 . 13 ILE HA H 4.01 0.02 1 91 . 13 ILE HB H 2.14 0.02 1 92 . 13 ILE HG13 H 1.59 0.02 2 93 . 13 ILE CG1 C 27.49 0.20 1 94 . 13 ILE HG2 H 0.88 0.02 1 95 . 13 ILE HD1 H 0.21 0.02 1 96 . 13 ILE CD1 C 13.73 0.20 1 97 . 13 ILE HG12 H 0.62 0.02 2 98 . 14 SER H H 9.51 0.02 1 99 . 14 SER N N 118.28 0.15 1 100 . 14 SER CA C 59.40 0.20 1 101 . 14 SER CB C 64.90 0.20 1 102 . 14 SER HA H 4.41 0.02 1 103 . 14 SER HB3 H 4.16 0.02 2 104 . 14 SER HB2 H 3.98 0.02 2 105 . 15 LEU H H 8.69 0.02 1 106 . 15 LEU N N 117.74 0.15 1 107 . 15 LEU CA C 56.81 0.20 1 108 . 15 LEU CB C 38.72 0.20 1 109 . 15 LEU HA H 4.11 0.02 1 110 . 15 LEU HB3 H 2.26 0.02 2 111 . 15 LEU HG H 1.51 0.02 1 112 . 15 LEU HD2 H 0.85 0.02 2 113 . 15 LEU CD2 C 22.60 0.20 2 114 . 15 LEU HB2 H 1.73 0.02 2 115 . 15 LEU HD1 H 0.92 0.02 2 116 . 15 LEU CD1 C 25.18 0.20 2 117 . 16 GLU H H 7.81 0.02 1 118 . 16 GLU N N 118.78 0.15 1 119 . 16 GLU CA C 54.59 0.20 1 120 . 16 GLU CB C 31.89 0.20 1 121 . 16 GLU HA H 4.58 0.02 1 122 . 16 GLU HB2 H 1.83 0.02 2 123 . 16 GLU HB3 H 2.09 0.02 2 124 . 16 GLU HG3 H 2.34 0.02 2 125 . 16 GLU HG2 H 2.23 0.02 2 126 . 16 GLU CG C 36.24 0.20 1 127 . 17 LEU H H 8.42 0.02 1 128 . 17 LEU N N 122.94 0.15 1 129 . 17 LEU CA C 55.78 0.20 1 130 . 17 LEU CB C 41.80 0.20 1 131 . 17 LEU HA H 3.79 0.02 1 132 . 17 LEU HB3 H 1.39 0.02 2 133 . 17 LEU HB2 H 0.84 0.02 2 134 . 17 LEU HD1 H 0.66 0.02 2 135 . 17 LEU HD2 H 0.50 0.02 2 136 . 17 LEU CD2 C 24.26 0.20 2 137 . 17 LEU HG H 1.33 0.02 1 138 . 17 LEU CG C 26.13 0.20 1 139 . 17 LEU CD1 C 25.79 0.20 2 140 . 18 MET H H 8.25 0.02 1 141 . 18 MET N N 126.51 0.15 1 142 . 18 MET CA C 57.63 0.20 1 143 . 18 MET CB C 34.94 0.20 1 144 . 18 MET HA H 4.26 0.02 1 145 . 18 MET HB3 H 2.00 0.02 2 146 . 18 MET HG3 H 2.79 0.02 2 147 . 18 MET CG C 33.80 0.20 1 148 . 18 MET HG2 H 2.46 0.02 2 149 . 18 MET HE H 1.80 0.02 1 150 . 18 MET CE C 16.94 0.20 1 151 . 18 MET HB2 H 1.46 0.02 2 152 . 19 LYS H H 9.41 0.02 1 153 . 19 LYS N N 122.02 0.15 1 154 . 19 LYS CA C 56.44 0.20 1 155 . 19 LYS CB C 34.20 0.20 1 156 . 19 LYS HA H 4.44 0.02 1 157 . 19 LYS HB2 H 1.90 0.02 2 158 . 19 LYS CD C 28.61 0.20 1 159 . 19 LYS HG2 H 1.44 0.02 2 160 . 19 LYS CG C 24.87 0.20 1 161 . 19 LYS HE2 H 3.01 0.02 2 162 . 19 LYS CE C 41.85 0.20 1 163 . 19 LYS HD2 H 1.70 0.02 2 164 . 19 LYS HG3 H 1.54 0.02 2 165 . 19 LYS HD3 H 1.76 0.02 2 166 . 19 LYS HE3 H 3.06 0.02 2 167 . 20 ASP H H 10.54 0.02 1 168 . 20 ASP N N 123.59 0.15 1 169 . 20 ASP CA C 51.17 0.20 1 170 . 20 ASP CB C 40.85 0.20 1 171 . 20 ASP HA H 5.03 0.02 1 172 . 20 ASP HB3 H 3.14 0.02 2 173 . 20 ASP HB2 H 2.41 0.02 2 174 . 21 PRO CA C 61.97 0.20 1 175 . 21 PRO CB C 33.55 0.20 1 176 . 21 PRO HD3 H 3.75 0.02 2 177 . 21 PRO CD C 49.68 0.20 1 178 . 21 PRO HD2 H 3.22 0.02 2 179 . 21 PRO HG3 H 2.30 0.02 2 180 . 21 PRO HA H 4.93 0.02 1 181 . 21 PRO HB3 H 2.41 0.02 2 182 . 21 PRO HB2 H 1.71 0.02 2 183 . 21 PRO CG C 27.16 0.20 1 184 . 21 PRO HG2 H 1.60 0.02 2 185 . 22 VAL CA C 58.16 0.20 1 186 . 22 VAL CB C 35.55 0.20 1 187 . 22 VAL HA H 5.09 0.02 1 188 . 22 VAL HB H 1.84 0.02 1 189 . 22 VAL HG2 H 0.99 0.02 2 190 . 22 VAL CG2 C 20.20 0.20 2 191 . 22 VAL HG1 H 0.75 0.02 2 192 . 22 VAL CG1 C 21.07 0.20 2 193 . 23 ILE H H 9.74 0.02 1 194 . 23 ILE N N 122.49 0.15 1 195 . 23 ILE CA C 58.82 0.20 1 196 . 23 ILE CB C 42.38 0.20 1 197 . 23 ILE HA H 5.41 0.02 1 198 . 23 ILE HB H 1.62 0.02 1 199 . 23 ILE CG1 C 28.56 0.20 1 200 . 23 ILE HG12 H 1.32 0.02 2 201 . 23 ILE CD1 C 14.89 0.20 1 202 . 23 ILE HG2 H 0.99 0.02 1 203 . 23 ILE HD1 H 0.85 0.02 1 204 . 23 ILE CG2 C 17.28 0.20 1 205 . 23 ILE HG13 H 1.55 0.02 2 206 . 24 VAL H H 7.89 0.02 1 207 . 24 VAL N N 117.57 0.15 1 208 . 24 VAL CA C 59.73 0.20 1 209 . 24 VAL CB C 33.56 0.20 1 210 . 24 VAL HA H 5.04 0.02 1 211 . 24 VAL CG2 C 20.49 0.20 2 212 . 24 VAL HG2 H 1.44 0.02 2 213 . 24 VAL HG1 H 1.10 0.02 2 214 . 24 VAL HB H 2.93 0.02 1 215 . 24 VAL CG1 C 23.07 0.20 2 216 . 25 SER H H 9.64 0.02 1 217 . 25 SER N N 116.49 0.15 1 218 . 25 SER HA H 4.66 0.02 1 219 . 25 SER CA C 55.94 0.20 1 220 . 25 SER HB3 H 3.83 0.02 2 221 . 25 SER HB2 H 3.80 0.02 2 222 . 25 SER CB C 63.78 0.20 1 223 . 26 THR H H 6.98 0.02 1 224 . 26 THR N N 109.98 0.15 1 225 . 26 THR HA H 4.69 0.02 1 226 . 26 THR HB H 4.47 0.02 1 227 . 26 THR HG2 H 1.35 0.02 1 228 . 26 THR CG2 C 24.42 0.20 1 229 . 27 GLY H H 8.90 0.02 1 230 . 27 GLY N N 109.30 0.15 1 231 . 27 GLY CA C 46.00 0.20 1 232 . 27 GLY HA2 H 3.96 0.02 2 233 . 27 GLY HA3 H 4.74 0.02 2 234 . 28 GLN H H 7.04 0.02 1 235 . 28 GLN N N 117.99 0.15 1 236 . 28 GLN CB C 28.91 0.20 1 237 . 28 GLN CA C 54.29 0.20 1 238 . 28 GLN HA H 4.43 0.02 1 239 . 28 GLN HB2 H 1.84 0.02 2 240 . 28 GLN HG3 H 2.42 0.02 2 241 . 28 GLN HG2 H 2.26 0.02 2 242 . 28 GLN CG C 33.62 0.20 1 243 . 28 GLN HB3 H 1.90 0.02 2 244 . 28 GLN HE21 H 7.89 0.02 2 245 . 28 GLN NE2 N 115.41 0.15 1 246 . 28 GLN HE22 H 6.78 0.02 2 247 . 29 THR H H 7.33 0.02 1 248 . 29 THR N N 118.01 0.15 1 249 . 29 THR CA C 62.13 0.20 1 250 . 29 THR CB C 69.54 0.20 1 251 . 29 THR HA H 5.51 0.02 1 252 . 29 THR HB H 3.74 0.02 1 253 . 29 THR HG2 H 1.17 0.02 1 254 . 29 THR CG2 C 23.15 0.20 1 255 . 30 TYR H H 9.10 0.02 1 256 . 30 TYR N N 121.39 0.15 1 257 . 30 TYR CA C 56.26 0.20 1 258 . 30 TYR CB C 45.04 0.20 1 259 . 30 TYR HA H 5.18 0.02 1 260 . 30 TYR HB2 H 2.18 0.02 2 261 . 30 TYR HB3 H 3.41 0.02 2 262 . 30 TYR HE1 H 6.66 0.02 3 263 . 30 TYR CE1 C 116.51 0.20 3 264 . 30 TYR HD1 H 7.10 0.02 3 265 . 30 TYR CD1 C 133.64 0.20 3 266 . 31 GLU H H 9.98 0.02 1 267 . 31 GLU N N 124.62 0.15 1 268 . 31 GLU CA C 56.33 0.20 1 269 . 31 GLU HA H 4.72 0.02 1 270 . 31 GLU HB3 H 2.86 0.02 2 271 . 31 GLU HB2 H 2.23 0.02 2 272 . 31 GLU CB C 28.98 0.20 1 273 . 31 GLU CG C 34.86 0.20 1 274 . 31 GLU HG2 H 2.41 0.02 2 275 . 31 GLU HG3 H 2.64 0.02 2 276 . 32 ARG H H 8.62 0.02 1 277 . 32 ARG N N 131.18 0.15 1 278 . 32 ARG CA C 61.31 0.20 1 279 . 32 ARG CB C 29.96 0.20 1 280 . 32 ARG HA H 3.87 0.02 1 281 . 32 ARG HB2 H 2.28 0.02 2 282 . 32 ARG HB3 H 1.99 0.02 2 283 . 32 ARG HD2 H 3.49 0.02 2 284 . 32 ARG HD3 H 3.14 0.02 2 285 . 32 ARG CD C 42.85 0.20 1 286 . 32 ARG HG2 H 1.47 0.02 2 287 . 32 ARG CG C 27.42 0.20 1 288 . 32 ARG HG3 H 1.44 0.02 2 289 . 33 SER H H 9.10 0.02 1 290 . 33 SER N N 110.88 0.15 1 291 . 33 SER CB C 62.44 0.20 1 292 . 33 SER CA C 61.51 0.20 1 293 . 33 SER HA H 4.26 0.02 1 294 . 33 SER HB2 H 4.05 0.02 2 295 . 33 SER HB3 H 4.10 0.02 2 296 . 34 SER H H 7.27 0.02 1 297 . 34 SER N N 116.56 0.15 1 298 . 34 SER CA C 60.14 0.20 1 299 . 34 SER CB C 62.66 0.20 1 300 . 34 SER HA H 4.46 0.02 1 301 . 34 SER HB2 H 3.77 0.02 2 302 . 35 ILE H H 7.86 0.02 1 303 . 35 ILE N N 120.80 0.15 1 304 . 35 ILE CA C 58.83 0.20 1 305 . 35 ILE CB C 38.47 0.20 1 306 . 35 ILE HA H 4.29 0.02 1 307 . 35 ILE HG12 H 1.10 0.02 2 308 . 35 ILE CG1 C 29.26 0.20 1 309 . 35 ILE HG13 H 1.35 0.02 2 310 . 35 ILE CG2 C 21.38 0.20 1 311 . 35 ILE HD1 H 0.28 0.02 1 312 . 35 ILE CD1 C 13.38 0.20 1 313 . 35 ILE HB H 1.25 0.02 1 314 . 35 ILE HG2 H 1.12 0.02 1 315 . 36 GLN H H 8.97 0.02 1 316 . 36 GLN N N 124.86 0.15 1 317 . 36 GLN CB C 29.06 0.20 1 318 . 36 GLN CA C 58.84 0.20 1 319 . 36 GLN HA H 4.07 0.02 1 320 . 36 GLN CG C 33.75 0.20 1 321 . 36 GLN HB2 H 2.10 0.02 2 322 . 36 GLN HB3 H 2.25 0.02 2 323 . 36 GLN HG2 H 2.37 0.02 2 324 . 36 GLN HG3 H 2.49 0.02 2 325 . 36 GLN HE21 H 7.63 0.02 2 326 . 36 GLN NE2 N 113.95 0.15 1 327 . 37 LYS H H 7.53 0.02 1 328 . 37 LYS N N 117.64 0.15 1 329 . 37 LYS CA C 59.91 0.20 1 330 . 37 LYS CB C 32.41 0.20 1 331 . 37 LYS HA H 4.21 0.02 1 332 . 37 LYS HB2 H 2.09 0.02 2 333 . 37 LYS HD2 H 1.82 0.02 2 334 . 37 LYS HG2 H 1.64 0.02 2 335 . 37 LYS CG C 25.58 0.20 1 336 . 37 LYS HE2 H 3.10 0.02 2 337 . 37 LYS CE C 41.90 0.20 1 338 . 37 LYS HB3 H 2.12 0.02 2 339 . 37 LYS HD3 H 1.86 0.02 2 340 . 37 LYS CD C 29.31 0.20 1 341 . 38 TRP H H 7.37 0.02 1 342 . 38 TRP N N 122.10 0.15 1 343 . 38 TRP CB C 30.01 0.20 1 344 . 38 TRP CA C 60.14 0.20 1 345 . 38 TRP HA H 4.60 0.02 1 346 . 38 TRP HB3 H 3.70 0.02 2 347 . 38 TRP HB2 H 3.33 0.02 2 348 . 38 TRP HE1 H 10.17 0.02 1 349 . 38 TRP NE1 N 129.90 0.15 1 350 . 38 TRP HE3 H 7.57 0.02 1 351 . 38 TRP CE3 C 120.43 0.20 1 352 . 38 TRP HZ3 H 6.88 0.02 1 353 . 38 TRP CZ3 C 121.90 0.20 1 354 . 38 TRP HD1 H 6.11 0.02 1 355 . 38 TRP CD1 C 120.52 0.20 1 356 . 38 TRP HH2 H 6.82 0.02 1 357 . 38 TRP CH2 C 124.58 0.20 1 358 . 38 TRP HZ2 H 7.06 0.02 1 359 . 38 TRP CZ2 C 114.08 0.20 1 360 . 39 LEU H H 8.46 0.02 1 361 . 39 LEU N N 118.30 0.15 1 362 . 39 LEU CA C 57.31 0.20 1 363 . 39 LEU CB C 41.32 0.20 1 364 . 39 LEU HA H 4.33 0.02 1 365 . 39 LEU HG H 2.09 0.02 1 366 . 39 LEU HB2 H 1.60 0.02 2 367 . 39 LEU HD2 H 1.01 0.02 2 368 . 39 LEU HD1 H 0.98 0.02 2 369 . 39 LEU CG C 26.93 0.20 1 370 . 39 LEU CD2 C 22.18 0.20 2 371 . 39 LEU CD1 C 26.17 0.20 2 372 . 40 ASP H H 9.16 0.02 1 373 . 40 ASP N N 122.55 0.15 1 374 . 40 ASP CA C 56.83 0.20 1 375 . 40 ASP CB C 40.01 0.20 1 376 . 40 ASP HA H 4.43 0.02 1 377 . 40 ASP HB3 H 2.89 0.02 2 378 . 40 ASP HB2 H 2.74 0.02 2 379 . 41 ALA H H 7.38 0.02 1 380 . 41 ALA N N 120.75 0.15 1 381 . 41 ALA CB C 18.34 0.20 1 382 . 41 ALA HA H 4.32 0.02 1 383 . 41 ALA HB H 1.45 0.02 1 384 . 41 ALA CA C 52.20 0.20 1 385 . 42 GLY H H 7.79 0.02 1 386 . 42 GLY N N 105.14 0.15 1 387 . 42 GLY HA3 H 4.07 0.02 2 388 . 42 GLY HA2 H 3.59 0.02 2 389 . 43 HIS H H 6.54 0.02 1 390 . 43 HIS N N 118.66 0.15 1 391 . 43 HIS CA C 56.27 0.20 1 392 . 43 HIS CB C 29.93 0.20 1 393 . 43 HIS HA H 4.28 0.02 1 394 . 43 HIS HB2 H 1.47 0.02 2 395 . 43 HIS HB3 H 2.46 0.02 2 396 . 44 LYS CA C 54.91 0.20 1 397 . 44 LYS CB C 33.40 0.20 1 398 . 44 LYS HA H 4.65 0.02 1 399 . 44 LYS HB2 H 2.25 0.02 2 400 . 44 LYS HG3 H 1.51 0.02 2 401 . 44 LYS HG2 H 1.45 0.02 2 402 . 44 LYS HE2 H 3.01 0.02 2 403 . 44 LYS CE C 42.00 0.20 1 404 . 44 LYS CG C 24.85 0.20 1 405 . 44 LYS CD C 28.68 0.20 1 406 . 44 LYS HD2 H 1.69 0.02 2 407 . 44 LYS HD3 H 1.75 0.02 2 408 . 45 THR H H 7.23 0.02 1 409 . 45 THR N N 109.01 0.15 1 410 . 45 THR CA C 59.36 0.20 1 411 . 45 THR CB C 71.38 0.20 1 412 . 45 THR HA H 4.85 0.02 1 413 . 45 THR HB H 3.94 0.02 1 414 . 45 THR HG2 H 1.12 0.02 1 415 . 45 THR CG2 C 22.02 0.20 1 416 . 46 CYS H H 8.60 0.02 1 417 . 46 CYS N N 126.30 0.15 1 418 . 46 CYS CA C 56.42 0.20 1 419 . 46 CYS HA H 4.45 0.02 1 420 . 46 CYS CB C 30.16 0.20 1 421 . 46 CYS HB3 H 2.94 0.02 2 422 . 46 CYS HB2 H 2.88 0.02 2 423 . 47 PRO CA C 64.99 0.20 1 424 . 47 PRO CB C 31.39 0.20 1 425 . 47 PRO HA H 3.93 0.02 1 426 . 47 PRO HB3 H 1.41 0.02 2 427 . 47 PRO HB2 H 1.38 0.02 2 428 . 47 PRO HG3 H 0.96 0.02 2 429 . 47 PRO HG2 H 0.10 0.02 2 430 . 47 PRO HD3 H 3.62 0.02 2 431 . 47 PRO HD2 H 3.34 0.02 2 432 . 47 PRO CD C 49.99 0.20 1 433 . 47 PRO CG C 26.19 0.20 1 434 . 48 LYS H H 8.21 0.02 1 435 . 48 LYS N N 116.47 0.15 1 436 . 48 LYS CA C 58.05 0.20 1 437 . 48 LYS CB C 33.73 0.20 1 438 . 48 LYS HA H 4.25 0.02 1 439 . 48 LYS HB2 H 1.69 0.02 2 440 . 48 LYS CG C 24.65 0.20 1 441 . 48 LYS HD2 H 1.57 0.02 2 442 . 48 LYS HE2 H 2.96 0.02 2 443 . 48 LYS CE C 41.90 0.20 1 444 . 48 LYS HG3 H 1.37 0.02 2 445 . 48 LYS HG2 H 1.29 0.02 2 446 . 48 LYS CD C 28.65 0.20 1 447 . 49 SER H H 8.54 0.02 1 448 . 49 SER N N 115.76 0.15 1 449 . 49 SER CA C 59.98 0.20 1 450 . 49 SER HA H 4.43 0.02 1 451 . 49 SER HB3 H 4.17 0.02 2 452 . 49 SER HB2 H 3.85 0.02 2 453 . 49 SER CB C 65.44 0.20 1 454 . 50 GLN H H 8.61 0.02 1 455 . 50 GLN N N 116.60 0.15 1 456 . 50 GLN CA C 58.09 0.20 1 457 . 50 GLN CB C 26.28 0.20 1 458 . 50 GLN HA H 3.91 0.02 1 459 . 50 GLN HB2 H 2.43 0.02 2 460 . 50 GLN CG C 34.36 0.20 1 461 . 50 GLN HB3 H 2.47 0.02 2 462 . 50 GLN HG3 H 2.31 0.02 2 463 . 50 GLN HG2 H 2.28 0.02 2 464 . 50 GLN HE21 H 7.63 0.02 2 465 . 50 GLN NE2 N 113.63 0.15 1 466 . 50 GLN HE22 H 6.81 0.02 2 467 . 51 GLU H H 7.68 0.02 1 468 . 51 GLU N N 118.80 0.15 1 469 . 51 GLU CA C 55.66 0.20 1 470 . 51 GLU CB C 31.71 0.20 1 471 . 51 GLU HA H 4.48 0.02 1 472 . 51 GLU HB2 H 1.97 0.02 2 473 . 51 GLU HG2 H 2.33 0.02 2 474 . 51 GLU HB3 H 2.10 0.02 2 475 . 51 GLU CG C 36.43 0.20 1 476 . 51 GLU HG3 H 2.35 0.02 2 477 . 52 THR H H 8.71 0.02 1 478 . 52 THR N N 118.10 0.15 1 479 . 52 THR CA C 63.98 0.20 1 480 . 52 THR CB C 69.29 0.20 1 481 . 52 THR HA H 4.18 0.02 1 482 . 52 THR HG2 H 1.28 0.02 1 483 . 52 THR CG2 C 21.96 0.20 1 484 . 52 THR HB H 4.02 0.02 1 485 . 53 LEU H H 8.50 0.02 1 486 . 53 LEU N N 126.99 0.15 1 487 . 53 LEU CA C 54.76 0.20 1 488 . 53 LEU CB C 41.22 0.20 1 489 . 53 LEU HA H 4.15 0.02 1 490 . 53 LEU HB2 H 1.56 0.02 2 491 . 53 LEU CG C 27.27 0.20 1 492 . 53 LEU HD1 H 0.88 0.02 2 493 . 53 LEU CD1 C 26.26 0.20 2 494 . 53 LEU CD2 C 24.25 0.20 2 495 . 53 LEU HD2 H 1.10 0.02 2 496 . 53 LEU HB3 H 1.62 0.02 2 497 . 53 LEU HG H 1.58 0.02 1 498 . 54 LEU CA C 56.34 0.20 1 499 . 54 LEU CB C 43.00 0.20 1 500 . 54 LEU HA H 4.19 0.02 1 501 . 54 LEU HB2 H 1.66 0.02 2 502 . 54 LEU HD1 H 1.05 0.02 2 503 . 54 LEU HD2 H 0.97 0.02 2 504 . 54 LEU CD2 C 23.19 0.20 2 505 . 54 LEU HG H 1.83 0.02 1 506 . 54 LEU CG C 26.97 0.20 1 507 . 54 LEU CD1 C 24.76 0.20 2 508 . 55 HIS H H 7.47 0.02 1 509 . 55 HIS N N 112.11 0.15 1 510 . 55 HIS CA C 54.46 0.20 1 511 . 55 HIS CB C 32.14 0.20 1 512 . 55 HIS HA H 4.68 0.02 1 513 . 55 HIS HB3 H 3.33 0.02 2 514 . 55 HIS HB2 H 3.18 0.02 2 515 . 55 HIS HD2 H 6.96 0.02 1 516 . 55 HIS CD2 C 118.12 0.20 1 517 . 55 HIS HE1 H 7.67 0.02 1 518 . 55 HIS CE1 C 139.07 0.20 1 519 . 56 ALA CA C 51.22 0.20 1 520 . 56 ALA CB C 19.10 0.20 1 521 . 56 ALA HA H 4.58 0.02 1 522 . 56 ALA HB H 1.51 0.02 1 523 . 57 GLY CA C 45.65 0.20 1 524 . 57 GLY HA3 H 4.07 0.02 2 525 . 57 GLY HA2 H 3.85 0.02 2 526 . 58 LEU H H 8.60 0.02 1 527 . 58 LEU N N 124.09 0.15 1 528 . 58 LEU CA C 53.34 0.20 1 529 . 58 LEU CB C 43.11 0.20 1 530 . 58 LEU HA H 4.89 0.02 1 531 . 58 LEU HB3 H 1.98 0.02 2 532 . 58 LEU HB2 H 1.02 0.02 2 533 . 58 LEU HD1 H 0.98 0.02 2 534 . 58 LEU HD2 H 0.80 0.02 2 535 . 58 LEU CG C 26.62 0.20 1 536 . 58 LEU CD2 C 24.40 0.20 2 537 . 58 LEU HG H 1.95 0.02 1 538 . 58 LEU CD1 C 26.15 0.20 2 539 . 59 THR H H 8.22 0.02 1 540 . 59 THR N N 121.73 0.15 1 541 . 59 THR CA C 59.66 0.20 1 542 . 59 THR CB C 71.33 0.20 1 543 . 59 THR HA H 4.97 0.02 1 544 . 59 THR HB H 3.92 0.02 1 545 . 59 THR HG2 H 1.34 0.02 1 546 . 59 THR CG2 C 20.70 0.20 1 547 . 60 PRO HA H 4.29 0.02 1 548 . 60 PRO CA C 63.41 0.20 1 549 . 60 PRO HB2 H 0.83 0.02 2 550 . 60 PRO HD3 H 3.98 0.02 2 551 . 60 PRO HD2 H 3.66 0.02 2 552 . 60 PRO CD C 51.33 0.20 1 553 . 60 PRO HG3 H 2.07 0.02 2 554 . 60 PRO HG2 H 1.84 0.02 2 555 . 60 PRO CB C 31.35 0.20 1 556 . 60 PRO CG C 28.42 0.20 1 557 . 60 PRO HB3 H 1.92 0.02 2 558 . 61 ASN HA H 4.83 0.02 1 559 . 61 ASN CA C 49.23 0.20 1 560 . 61 ASN HB3 H 3.03 0.02 2 561 . 61 ASN CB C 36.51 0.20 1 562 . 61 ASN HB2 H 2.01 0.02 2 563 . 61 ASN H H 8.10 0.02 1 564 . 61 ASN N N 119.37 0.15 1 565 . 62 TYR H H 7.33 0.02 1 566 . 62 TYR N N 119.21 0.15 1 567 . 62 TYR CA C 63.09 0.20 1 568 . 62 TYR HA H 4.26 0.02 1 569 . 62 TYR HB3 H 3.17 0.02 2 570 . 62 TYR HB2 H 2.80 0.02 2 571 . 62 TYR CB C 37.26 0.20 1 572 . 62 TYR HD1 H 7.21 0.02 3 573 . 62 TYR CD1 C 132.52 0.20 3 574 . 62 TYR HE1 H 7.12 0.02 3 575 . 62 TYR CE1 C 118.67 0.20 3 576 . 63 VAL H H 9.29 0.02 1 577 . 63 VAL N N 120.20 0.15 1 578 . 63 VAL HA H 4.14 0.02 1 579 . 63 VAL CA C 64.76 0.20 1 580 . 63 VAL HB H 2.29 0.02 1 581 . 63 VAL HG1 H 1.23 0.02 2 582 . 63 VAL CG1 C 23.09 0.20 2 583 . 63 VAL HG2 H 1.12 0.02 2 584 . 63 VAL CB C 30.60 0.20 1 585 . 63 VAL CG2 C 21.97 0.20 2 586 . 64 LEU H H 6.72 0.02 1 587 . 64 LEU N N 122.34 0.15 1 588 . 64 LEU CB C 42.23 0.20 1 589 . 64 LEU CA C 56.88 0.20 1 590 . 64 LEU HA H 4.06 0.02 1 591 . 64 LEU HB3 H 1.64 0.02 2 592 . 64 LEU CG C 27.04 0.20 1 593 . 64 LEU HG H 1.05 0.02 1 594 . 64 LEU HB2 H 1.20 0.02 2 595 . 64 LEU HD2 H 0.99 0.02 2 596 . 64 LEU CD2 C 23.77 0.20 2 597 . 64 LEU HD1 H 1.72 0.02 2 598 . 64 LEU CD1 C 26.91 0.20 2 599 . 65 LYS H H 8.03 0.02 1 600 . 65 LYS N N 119.18 0.15 1 601 . 65 LYS CA C 60.11 0.20 1 602 . 65 LYS CB C 32.52 0.20 1 603 . 65 LYS HA H 3.76 0.02 1 604 . 65 LYS HB3 H 2.33 0.02 2 605 . 65 LYS HG3 H 1.57 0.02 2 606 . 65 LYS CG C 25.14 0.20 1 607 . 65 LYS HE3 H 3.23 0.02 2 608 . 65 LYS HE2 H 3.17 0.02 2 609 . 65 LYS CE C 42.20 0.20 1 610 . 65 LYS HD3 H 2.03 0.02 2 611 . 65 LYS HB2 H 1.79 0.02 2 612 . 65 LYS CD C 29.49 0.20 1 613 . 65 LYS HD2 H 1.87 0.02 2 614 . 65 LYS HG2 H 1.54 0.02 2 615 . 66 SER H H 8.18 0.02 1 616 . 66 SER N N 114.82 0.15 1 617 . 66 SER CA C 62.31 0.20 1 618 . 66 SER HA H 4.22 0.02 1 619 . 66 SER HB3 H 3.77 0.02 2 620 . 66 SER HB2 H 3.57 0.02 2 621 . 67 LEU H H 7.78 0.02 1 622 . 67 LEU N N 124.20 0.15 1 623 . 67 LEU CB C 42.23 0.20 1 624 . 67 LEU CA C 58.14 0.20 1 625 . 67 LEU HA H 3.88 0.02 1 626 . 67 LEU HB3 H 1.83 0.02 2 627 . 67 LEU HD2 H 0.73 0.02 2 628 . 67 LEU CD2 C 24.36 0.20 2 629 . 67 LEU HB2 H 1.50 0.02 2 630 . 67 LEU CG C 27.20 0.20 1 631 . 67 LEU HG H 1.61 0.02 1 632 . 67 LEU HD1 H 0.85 0.02 2 633 . 67 LEU CD1 C 26.30 0.20 2 634 . 68 ILE H H 8.41 0.02 1 635 . 68 ILE N N 121.72 0.15 1 636 . 68 ILE CA C 65.82 0.20 1 637 . 68 ILE CB C 37.91 0.20 1 638 . 68 ILE HA H 3.03 0.02 1 639 . 68 ILE CD1 C 14.11 0.20 1 640 . 68 ILE HG13 H 1.03 0.02 2 641 . 68 ILE CG2 C 17.37 0.20 1 642 . 68 ILE HB H 1.63 0.02 1 643 . 68 ILE HD1 H 0.65 0.02 1 644 . 68 ILE HG2 H 0.84 0.02 1 645 . 68 ILE CG1 C 28.89 0.20 1 646 . 68 ILE HG12 H -0.61 0.02 2 647 . 69 ALA H H 8.01 0.02 1 648 . 69 ALA N N 122.91 0.15 1 649 . 69 ALA CA C 55.57 0.20 1 650 . 69 ALA CB C 17.71 0.20 1 651 . 69 ALA HA H 4.21 0.02 1 652 . 69 ALA HB H 1.59 0.02 1 653 . 70 LEU H H 7.89 0.02 1 654 . 70 LEU N N 119.34 0.15 1 655 . 70 LEU CA C 57.74 0.20 1 656 . 70 LEU CB C 42.16 0.20 1 657 . 70 LEU HA H 4.28 0.02 1 658 . 70 LEU HB2 H 1.90 0.02 2 659 . 70 LEU HD1 H 1.01 0.02 2 660 . 70 LEU CD1 C 24.34 0.20 2 661 . 70 LEU CG C 27.01 0.20 1 662 . 70 LEU HG H 1.79 0.02 1 663 . 71 TRP H H 8.50 0.02 1 664 . 71 TRP N N 123.12 0.15 1 665 . 71 TRP CA C 62.43 0.20 1 666 . 71 TRP CB C 29.49 0.20 1 667 . 71 TRP HA H 4.22 0.02 1 668 . 71 TRP HB3 H 3.82 0.02 2 669 . 71 TRP HB2 H 3.67 0.02 2 670 . 71 TRP HZ2 H 7.51 0.02 1 671 . 71 TRP CZ2 C 114.74 0.20 1 672 . 71 TRP CH2 C 124.65 0.20 1 673 . 71 TRP HH2 H 7.24 0.02 1 674 . 71 TRP HZ3 H 7.89 0.02 1 675 . 71 TRP CZ3 C 120.83 0.20 1 676 . 71 TRP HE3 H 7.19 0.02 1 677 . 71 TRP CE3 C 122.35 0.20 1 678 . 71 TRP HD1 H 7.48 0.02 1 679 . 71 TRP CD1 C 126.70 0.20 1 680 . 72 CYS H H 9.14 0.02 1 681 . 72 CYS N N 118.39 0.15 1 682 . 72 CYS CA C 64.29 0.20 1 683 . 72 CYS CB C 26.59 0.20 1 684 . 72 CYS HA H 4.03 0.02 1 685 . 72 CYS HB3 H 3.29 0.02 2 686 . 72 CYS HB2 H 3.19 0.02 2 687 . 73 GLU H H 8.24 0.02 1 688 . 73 GLU N N 120.11 0.15 1 689 . 73 GLU CA C 58.90 0.20 1 690 . 73 GLU CB C 29.61 0.20 1 691 . 73 GLU HA H 4.18 0.02 1 692 . 73 GLU HB2 H 2.20 0.02 2 693 . 73 GLU CG C 36.26 0.20 1 694 . 73 GLU HG3 H 2.44 0.02 2 695 . 73 GLU HG2 H 2.32 0.02 2 696 . 73 GLU HB3 H 2.22 0.02 2 697 . 74 SER H H 8.09 0.02 1 698 . 74 SER N N 113.86 0.15 1 699 . 74 SER CA C 60.25 0.20 1 700 . 74 SER CB C 63.33 0.20 1 701 . 74 SER HA H 4.37 0.02 1 702 . 74 SER HB2 H 3.91 0.02 2 703 . 75 ASN H H 7.51 0.02 1 704 . 75 ASN CA C 53.75 0.20 1 705 . 75 ASN CB C 39.50 0.20 1 706 . 75 ASN HA H 4.62 0.02 1 707 . 75 ASN HB3 H 2.39 0.02 2 708 . 75 ASN HB2 H 1.73 0.02 2 709 . 76 GLY CA C 46.47 0.20 1 710 . 76 GLY HA2 H 3.93 0.02 2 711 . 76 GLY HA3 H 3.97 0.02 2 712 . 77 ILE H H 8.00 0.02 1 713 . 77 ILE N N 120.17 0.15 1 714 . 77 ILE CA C 60.32 0.20 1 715 . 77 ILE CB C 38.67 0.20 1 716 . 77 ILE HA H 4.26 0.02 1 717 . 77 ILE HB H 1.88 0.02 1 718 . 77 ILE HG2 H 1.07 0.02 1 719 . 77 ILE HG13 H 1.51 0.02 2 720 . 77 ILE CG1 C 27.42 0.20 1 721 . 77 ILE HG12 H 1.21 0.02 2 722 . 77 ILE HD1 H 0.95 0.02 1 723 . 77 ILE CG2 C 17.52 0.20 1 724 . 77 ILE CD1 C 12.57 0.20 1 725 . 78 GLU H H 8.04 0.02 1 726 . 78 GLU N N 130.81 0.15 1 727 . 78 GLU CA C 57.89 0.20 1 728 . 78 GLU CB C 31.56 0.20 1 729 . 78 GLU HA H 4.19 0.02 1 730 . 78 GLU HB3 H 2.08 0.02 2 731 . 78 GLU HG2 H 2.23 0.02 2 732 . 78 GLU HB2 H 1.93 0.02 2 733 . 78 GLU CG C 36.61 0.20 1 stop_ save_