data_4884 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1st LIM domain of PINCH protein ; _BMRB_accession_number 4884 _BMRB_flat_file_name bmr4884.str _Entry_type original _Submission_date 2000-10-25 _Accession_date 2000-10-25 _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 Velyvis Algirdas . . 2 Yang Yanwu . . 3 Wu Chuanyue . . 4 Qin Jun . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 372 "13C chemical shifts" 202 "15N chemical shifts" 67 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2001-03-12 original author . stop_ _Original_release_date 2001-03-12 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Solution Structure of Focal Adhesion Adaptor PINCH LIM1 Domain and Characterization of Its Interaction with Integrin Linked Kinase Ankyrin Repeat Domain ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 11078733 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Velyvis Algirdas . . 2 Yang Yanwu . . 3 Wu Chuanyue . . 4 Qin Jun . . stop_ _Journal_abbreviation 'J. Biol. Chem.' _Journal_volume 276 _Journal_issue 7 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 4932 _Page_last 4939 _Year 2001 _Details . save_ ################################## # Molecular system description # ################################## save_LIM1_LIM-1_PINCH(LIM1) _Saveframe_category molecular_system _Mol_system_name '1st LIM domain of PINCH protein' _Abbreviation_common 'LIM1, LIM-1, PINCH(LIM1)' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'LIM1 domain' $LIM1 Zn-1 $ZN Zn-2 $ZN stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'all other bound' loop_ _Biological_function 'adaptor protein' 'binds to ILK and Nck-2 (biological data)' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_LIM1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common '1st LIM domain of PINCH protein' _Abbreviation_common LIM1 _Molecular_mass . _Mol_thiol_state 'all other bound' _Details 'N-terminal peptide ISEF and C-terminal WIL are cloning artifacts' ############################## # Polymer residue sequence # ############################## _Residue_count 77 _Mol_residue_sequence ; ISEFMANALASATCERCKGG FAPAEKIVNSNGELYHEQCF VCAQCFQQFPEGLFYEFEGR KYCEHDFQMLFAPCWIL ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -4 ILE 2 -3 SER 3 -2 GLU 4 -1 PHE 5 1 MET 6 2 ALA 7 3 ASN 8 4 ALA 9 5 LEU 10 6 ALA 11 7 SER 12 8 ALA 13 9 THR 14 10 CYS 15 11 GLU 16 12 ARG 17 13 CYS 18 14 LYS 19 15 GLY 20 16 GLY 21 17 PHE 22 18 ALA 23 19 PRO 24 20 ALA 25 21 GLU 26 22 LYS 27 23 ILE 28 24 VAL 29 25 ASN 30 26 SER 31 27 ASN 32 28 GLY 33 29 GLU 34 30 LEU 35 31 TYR 36 32 HIS 37 33 GLU 38 34 GLN 39 35 CYS 40 36 PHE 41 37 VAL 42 38 CYS 43 39 ALA 44 40 GLN 45 41 CYS 46 42 PHE 47 43 GLN 48 44 GLN 49 45 PHE 50 46 PRO 51 47 GLU 52 48 GLY 53 49 LEU 54 50 PHE 55 51 TYR 56 52 GLU 57 53 PHE 58 54 GLU 59 55 GLY 60 56 ARG 61 57 LYS 62 58 TYR 63 59 CYS 64 60 GLU 65 61 HIS 66 62 ASP 67 63 PHE 68 64 GLN 69 65 MET 70 66 LEU 71 67 PHE 72 68 ALA 73 69 PRO 74 70 CYS 75 71 TRP 76 72 ILE 77 73 LEU stop_ _Sequence_homology_query_date 2008-08-19 _Sequence_homology_query_revised_last_date 2008-08-19 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 SWISS-PROT Q9HB10 'LIM and senescent cell antigen-like-containing domain protein 3 (Particularly interesting new Cys-His protein 3) (PINCH-3)' 67.53 117 98.08 98.08 3.02e-22 REF XP_862963 'PREDICTED: similar to LIM and senescent cell antigen-like domains 1 isoform 3 [Canis familiaris]' 90.91 256 98.57 100.00 1.16e-33 REF NP_277049 'LIM and senescent cell antigen-like domains 3 [Homo sapiens]' 67.53 117 98.08 98.08 3.02e-22 GenBank AAY24131 'unknown [Homo sapiens]' 67.53 117 98.08 98.08 3.02e-22 GenBank AAY14903 'unknown [Homo sapiens]' 67.53 117 98.08 98.08 3.02e-22 GenBank AAI12234 'LIM and senescent cell antigen-like domains 3 [Homo sapiens]' 67.53 117 98.08 98.08 3.02e-22 GenBank AAH93812 'LIM and senescent cell antigen-like domains 3 [Homo sapiens]' 67.53 117 98.08 98.08 3.02e-22 GenBank AAF99328 'pinch-2 protein [Homo sapiens]' 67.53 117 98.08 98.08 3.02e-22 DBJ BAG60588 'unnamed protein product [Homo sapiens]' 90.91 248 98.57 98.57 3.19e-33 DBJ BAG35111 'unnamed protein product [Homo sapiens]' 67.53 117 98.08 98.08 4.28e-22 PDB 1G47 '1st Lim Domain Of Pinch Protein' 100.00 77 100.00 100.00 5.81e-38 stop_ save_ ############# # Ligands # ############# save_ZN _Saveframe_category ligand _Mol_type non-polymer _Name_common "ZN (ZINC ION)" _BMRB_code . _PDB_code ZN _Molecular_mass 65.409 _Mol_charge 2 _Mol_paramagnetic . _Mol_aromatic no _Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Jun 15 12:20:01 2011 ; loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons ZN ZN ZN . 2 . ? 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 $LIM1 human 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_type _Vector_name $LIM1 'recombinant technology' 'E. coli' Escherichia coli BL21(DE3) plasmid pMAL-C2x 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 $LIM1 0.5 mM . 'Na phosphate' 50 mM . NaCl 100 mM . beta-mercaptoethanol 0.5 mM . stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $LIM1 0.5 mM [U-15N] 'Na phosphate' 50 mM . NaCl 100 mM . beta-mercaptoethanol 0.5 mM . stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $LIM1 0.5 mM '[U-15N; U-13C]' 'Na phosphate' 50 mM . NaCl 100 mM . beta-mercaptoethanol 0.5 mM . stop_ save_ ############################ # Computer software used # ############################ save_nmrPipe _Saveframe_category software _Name nmrPipe _Version . _Details . save_ save_PIPP _Saveframe_category software _Name PIPP _Version . _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model 'Unity Plus' _Field_strength 500 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label . save_ save_3D_CBCANH_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCANH' _Sample_label . save_ save_3D_CBCA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label . save_ save_3D_1H-1H-13C/15N_NOESY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-1H-13C/15N NOESY' _Sample_label . save_ save_3D_1H-13C-1H_HCCH-TOCSY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C-1H HCCH-TOCSY' _Sample_label . save_ save_3D_C(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label . save_ save_3D_H(CCO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label . save_ save_3D_HNHA_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHA' _Sample_label . save_ save_2D_1H-1H_NOESY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label . save_ save_2D_1H-1H_TOCSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _Sample_label . save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCANH' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-1H-13C/15N NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C-1H HCCH-TOCSY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHA' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_9 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_10 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_representative_conditions _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 7.5 0.2 n/a temperature 298 1 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 _Indirect_shift_ratio _Indirect_shift_ratio_citation_label _Correction_value_citation_label DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 $entry_citation $entry_citation DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 $entry_citation $entry_citation DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 $entry_citation $entry_citation stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_set1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 $sample_2 $sample_3 stop_ _Sample_conditions_label $representative_conditions _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'LIM1 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 . 10 ALA N N 126.40 0.20 1 2 . 10 ALA H H 8.14 0.03 1 3 . 10 ALA CA C 52.98 0.20 1 4 . 10 ALA HA H 4.27 0.03 1 5 . 10 ALA CB C 19.10 0.20 1 6 . 10 ALA HB H 1.38 0.03 1 7 . 11 SER N N 115.84 0.20 1 8 . 11 SER H H 8.05 0.03 1 9 . 11 SER CA C 57.65 0.20 1 10 . 11 SER HA H 4.47 0.03 1 11 . 11 SER CB C 63.67 0.20 1 12 . 11 SER HB3 H 3.87 0.03 2 13 . 11 SER HB2 H 3.92 0.03 2 14 . 12 ALA N N 128.56 0.20 1 15 . 12 ALA H H 8.17 0.03 1 16 . 12 ALA CA C 52.42 0.20 1 17 . 12 ALA HA H 4.42 0.03 1 18 . 12 ALA CB C 19.68 0.20 1 19 . 12 ALA HB H 1.41 0.03 1 20 . 13 THR N N 113.61 0.20 1 21 . 13 THR H H 7.95 0.03 1 22 . 13 THR CA C 59.33 0.20 1 23 . 13 THR HA H 4.30 0.03 1 24 . 13 THR CB C 72.80 0.20 1 25 . 13 THR HB H 3.52 0.03 1 26 . 13 THR CG2 C 21.64 0.20 1 27 . 13 THR HG2 H 0.85 0.03 1 28 . 14 CYS N N 125.52 0.20 1 29 . 14 CYS H H 8.03 0.03 1 30 . 14 CYS CA C 57.10 0.20 1 31 . 14 CYS HA H 4.32 0.03 1 32 . 14 CYS CB C 31.40 0.20 1 33 . 14 CYS HB3 H 1.93 0.03 1 34 . 14 CYS HB2 H 3.09 0.03 1 35 . 15 GLU N N 133.32 0.20 1 36 . 15 GLU H H 9.18 0.03 1 37 . 15 GLU CA C 57.96 0.20 1 38 . 15 GLU HA H 3.88 0.03 1 39 . 15 GLU CB C 29.26 0.20 1 40 . 15 GLU HB3 H 1.45 0.03 2 41 . 15 GLU HB2 H 1.71 0.03 2 42 . 15 GLU CG C 35.23 0.20 1 43 . 15 GLU HG3 H 2.20 0.03 2 44 . 15 GLU HG2 H 2.30 0.03 2 45 . 16 ARG N N 121.10 0.20 1 46 . 16 ARG H H 8.57 0.03 1 47 . 16 ARG CA C 58.01 0.20 1 48 . 16 ARG HA H 4.59 0.03 1 49 . 16 ARG CB C 31.65 0.20 1 50 . 16 ARG HB3 H 2.22 0.03 2 51 . 16 ARG HB2 H 2.26 0.03 2 52 . 16 ARG CG C 27.22 0.20 1 53 . 16 ARG HG2 H 1.85 0.03 1 54 . 16 ARG HG3 H 1.85 0.03 1 55 . 16 ARG CD C 43.17 0.20 1 56 . 16 ARG HD2 H 3.52 0.03 1 57 . 16 ARG HD3 H 3.52 0.03 1 58 . 17 CYS N N 119.27 0.20 1 59 . 17 CYS H H 8.25 0.03 1 60 . 17 CYS CA C 58.94 0.20 1 61 . 17 CYS HA H 4.89 0.03 1 62 . 17 CYS CB C 31.41 0.20 1 63 . 17 CYS HB3 H 2.95 0.03 1 64 . 17 CYS HB2 H 3.32 0.03 1 65 . 18 LYS N N 119.90 0.20 1 66 . 18 LYS H H 8.00 0.03 1 67 . 18 LYS CA C 56.93 0.20 1 68 . 18 LYS HA H 4.14 0.03 1 69 . 18 LYS CB C 28.55 0.20 1 70 . 18 LYS HB3 H 2.02 0.03 1 71 . 18 LYS HB2 H 2.23 0.03 1 72 . 18 LYS CG C 24.61 0.20 1 73 . 18 LYS HG3 H 1.16 0.03 2 74 . 18 LYS HG2 H 1.40 0.03 2 75 . 18 LYS CD C 28.44 0.20 1 76 . 18 LYS HD3 H 1.53 0.03 2 77 . 18 LYS HD2 H 1.59 0.03 2 78 . 18 LYS CE C 42.59 0.20 1 79 . 18 LYS HE3 H 2.90 0.03 2 80 . 18 LYS HE2 H 2.98 0.03 2 81 . 19 GLY N N 112.93 0.20 1 82 . 19 GLY H H 8.87 0.03 1 83 . 19 GLY CA C 43.34 0.20 1 84 . 19 GLY HA3 H 3.79 0.03 2 85 . 19 GLY HA2 H 4.30 0.03 2 86 . 20 GLY N N 107.72 0.20 1 87 . 20 GLY H H 8.14 0.03 1 88 . 20 GLY CA C 43.39 0.20 1 89 . 20 GLY HA3 H 3.67 0.03 2 90 . 20 GLY HA2 H 4.19 0.03 2 91 . 21 PHE N N 120.90 0.20 1 92 . 21 PHE H H 8.58 0.03 1 93 . 21 PHE CA C 56.64 0.20 1 94 . 21 PHE HA H 5.05 0.03 1 95 . 21 PHE CB C 41.25 0.20 1 96 . 21 PHE HB3 H 3.01 0.03 1 97 . 21 PHE HB2 H 2.66 0.03 1 98 . 21 PHE CD1 C 131.65 0.20 1 99 . 21 PHE HD1 H 6.89 0.03 1 100 . 21 PHE CD2 C 131.65 0.20 1 101 . 21 PHE HD2 H 6.89 0.03 1 102 . 21 PHE CE1 C 129.48 0.20 1 103 . 21 PHE HE1 H 6.43 0.03 1 104 . 21 PHE CE2 C 129.48 0.20 1 105 . 21 PHE HE2 H 6.43 0.03 1 106 . 21 PHE CZ C 127.30 0.20 1 107 . 21 PHE HZ H 6.23 0.03 1 108 . 22 ALA N N 131.93 0.20 1 109 . 22 ALA H H 9.85 0.03 1 110 . 22 ALA CA C 50.04 0.20 1 111 . 22 ALA HA H 4.72 0.03 1 112 . 22 ALA CB C 17.70 0.20 1 113 . 22 ALA HB H 1.48 0.03 1 114 . 23 PRO CA C 64.99 0.20 1 115 . 23 PRO HA H 4.31 0.03 1 116 . 23 PRO CB C 31.62 0.20 1 117 . 23 PRO HB3 H 2.37 0.03 2 118 . 23 PRO HB2 H 1.91 0.03 2 119 . 23 PRO CG C 27.80 0.20 1 120 . 23 PRO HG3 H 2.06 0.03 2 121 . 23 PRO HG2 H 2.17 0.03 2 122 . 23 PRO CD C 50.10 0.20 1 123 . 23 PRO HD3 H 3.73 0.03 2 124 . 23 PRO HD2 H 3.90 0.03 2 125 . 24 ALA N N 121.73 0.20 1 126 . 24 ALA H H 8.42 0.03 1 127 . 24 ALA CA C 52.44 0.20 1 128 . 24 ALA HA H 4.25 0.03 1 129 . 24 ALA CB C 18.34 0.20 1 130 . 24 ALA HB H 1.43 0.03 1 131 . 25 GLU N N 123.35 0.20 1 132 . 25 GLU H H 7.67 0.03 1 133 . 25 GLU CA C 56.53 0.20 1 134 . 25 GLU HA H 4.27 0.03 1 135 . 25 GLU CB C 31.44 0.20 1 136 . 25 GLU HB3 H 2.12 0.03 2 137 . 25 GLU HB2 H 2.36 0.03 2 138 . 25 GLU CG C 36.50 0.20 1 139 . 25 GLU HG3 H 2.41 0.03 2 140 . 25 GLU HG2 H 2.57 0.03 2 141 . 26 LYS N N 128.19 0.20 1 142 . 26 LYS H H 8.67 0.03 1 143 . 26 LYS CA C 56.51 0.20 1 144 . 26 LYS HA H 4.20 0.03 1 145 . 26 LYS CB C 32.40 0.20 1 146 . 26 LYS HB2 H 1.77 0.03 1 147 . 26 LYS HB3 H 1.77 0.03 1 148 . 26 LYS CG C 24.90 0.20 1 149 . 26 LYS HG3 H 1.30 0.03 2 150 . 26 LYS HG2 H 1.45 0.03 2 151 . 26 LYS CD C 29.03 0.20 1 152 . 26 LYS HD2 H 1.66 0.03 1 153 . 26 LYS HD3 H 1.66 0.03 1 154 . 26 LYS CE C 42.17 0.20 1 155 . 26 LYS HE3 H 2.92 0.03 2 156 . 26 LYS HE2 H 2.96 0.03 2 157 . 27 ILE N N 127.18 0.20 1 158 . 27 ILE H H 8.04 0.03 1 159 . 27 ILE CA C 60.33 0.20 1 160 . 27 ILE HA H 4.06 0.03 1 161 . 27 ILE CB C 40.23 0.20 1 162 . 27 ILE HB H 1.25 0.03 1 163 . 27 ILE CG1 C 26.28 0.20 1 164 . 27 ILE HG13 H -0.28 0.03 2 165 . 27 ILE HG12 H 1.10 0.03 2 166 . 27 ILE CG2 C 18.33 0.20 1 167 . 27 ILE HG2 H 0.13 0.03 1 168 . 27 ILE CD1 C 13.89 0.20 1 169 . 27 ILE HD1 H 0.13 0.03 1 170 . 28 VAL N N 131.02 0.20 1 171 . 28 VAL H H 8.84 0.03 1 172 . 28 VAL CA C 62.08 0.20 1 173 . 28 VAL HA H 3.86 0.03 1 174 . 28 VAL CB C 32.88 0.20 1 175 . 28 VAL HB H 1.78 0.03 1 176 . 28 VAL CG1 C 19.46 0.20 1 177 . 28 VAL HG1 H 0.11 0.03 1 178 . 28 VAL CG2 C 20.71 0.20 1 179 . 28 VAL HG2 H 0.83 0.03 1 180 . 29 ASN N N 127.99 0.20 1 181 . 29 ASN H H 8.40 0.03 1 182 . 29 ASN CA C 51.08 0.20 1 183 . 29 ASN HA H 5.21 0.03 1 184 . 29 ASN CB C 39.67 0.20 1 185 . 29 ASN HB3 H 2.82 0.03 1 186 . 29 ASN HB2 H 2.28 0.03 1 187 . 29 ASN ND2 N 113.04 0.20 1 188 . 29 ASN HD21 H 7.21 0.03 2 189 . 29 ASN HD22 H 6.69 0.03 2 190 . 30 SER N N 122.74 0.20 1 191 . 30 SER H H 9.17 0.03 1 192 . 30 SER CA C 55.79 0.20 1 193 . 30 SER HA H 4.68 0.03 1 194 . 30 SER CB C 63.10 0.20 1 195 . 30 SER HB3 H 3.19 0.03 1 196 . 30 SER HB2 H 3.77 0.03 1 197 . 31 ASN N N 128.04 0.20 1 198 . 31 ASN H H 9.24 0.03 1 199 . 31 ASN CA C 54.23 0.20 1 200 . 31 ASN HA H 4.37 0.03 1 201 . 31 ASN CB C 37.88 0.20 1 202 . 31 ASN HB3 H 2.83 0.03 2 203 . 31 ASN HB2 H 3.13 0.03 2 204 . 31 ASN ND2 N 116.02 0.20 1 205 . 31 ASN HD21 H 7.69 0.03 2 206 . 31 ASN HD22 H 6.98 0.03 2 207 . 32 GLY N N 107.88 0.20 1 208 . 32 GLY H H 8.36 0.03 1 209 . 32 GLY CA C 45.21 0.20 1 210 . 32 GLY HA3 H 3.56 0.03 2 211 . 32 GLY HA2 H 4.27 0.03 2 212 . 33 GLU N N 123.62 0.20 1 213 . 33 GLU H H 7.71 0.03 1 214 . 33 GLU CA C 54.89 0.20 1 215 . 33 GLU HA H 4.27 0.03 1 216 . 33 GLU CB C 31.96 0.20 1 217 . 33 GLU HB3 H 1.67 0.03 1 218 . 33 GLU HB2 H 2.48 0.03 1 219 . 33 GLU CG C 35.87 0.20 1 220 . 33 GLU HG3 H 2.18 0.03 2 221 . 33 GLU HG2 H 2.35 0.03 2 222 . 34 LEU N N 124.78 0.20 1 223 . 34 LEU H H 8.35 0.03 1 224 . 34 LEU CA C 52.98 0.20 1 225 . 34 LEU HA H 5.20 0.03 1 226 . 34 LEU CB C 42.77 0.20 1 227 . 34 LEU HB3 H 0.98 0.03 1 228 . 34 LEU HB2 H 1.80 0.03 1 229 . 34 LEU CG C 27.03 0.20 1 230 . 34 LEU HG H 1.61 0.03 1 231 . 34 LEU CD1 C 22.08 0.20 2 232 . 34 LEU HD1 H 0.49 0.03 2 233 . 34 LEU CD2 C 25.78 0.20 2 234 . 34 LEU HD2 H 0.74 0.03 2 235 . 35 TYR N N 118.61 0.20 1 236 . 35 TYR H H 8.94 0.03 1 237 . 35 TYR CA C 56.09 0.20 1 238 . 35 TYR HA H 6.09 0.03 1 239 . 35 TYR CB C 43.92 0.20 1 240 . 35 TYR HB3 H 3.31 0.03 1 241 . 35 TYR HB2 H 2.38 0.03 1 242 . 35 TYR CD1 C 133.13 0.20 1 243 . 35 TYR HD1 H 6.92 0.03 1 244 . 35 TYR CD2 C 133.13 0.20 1 245 . 35 TYR HD2 H 6.92 0.03 1 246 . 35 TYR CE1 C 118.29 0.20 1 247 . 35 TYR HE1 H 6.83 0.03 1 248 . 35 TYR CE2 C 118.29 0.20 1 249 . 35 TYR HE2 H 6.83 0.03 1 250 . 36 HIS N N 122.22 0.20 1 251 . 36 HIS H H 8.41 0.03 1 252 . 36 HIS CA C 59.00 0.20 1 253 . 36 HIS HA H 4.94 0.03 1 254 . 36 HIS CB C 30.65 0.20 1 255 . 36 HIS HB2 H 3.69 0.03 1 256 . 36 HIS HB3 H 3.69 0.03 1 257 . 36 HIS HD2 H 7.98 0.03 1 258 . 37 GLU N N 128.07 0.20 1 259 . 37 GLU H H 9.91 0.03 1 260 . 37 GLU CA C 61.23 0.20 1 261 . 37 GLU HA H 3.94 0.03 1 262 . 37 GLU CB C 30.12 0.20 1 263 . 37 GLU HB2 H 2.16 0.03 1 264 . 37 GLU HB3 H 2.16 0.03 1 265 . 37 GLU CG C 37.44 0.20 1 266 . 37 GLU HG3 H 2.16 0.03 2 267 . 37 GLU HG2 H 2.43 0.03 2 268 . 38 GLN N N 115.75 0.20 1 269 . 38 GLN H H 9.10 0.03 1 270 . 38 GLN CA C 57.12 0.20 1 271 . 38 GLN HA H 4.20 0.03 1 272 . 38 GLN CB C 27.34 0.20 1 273 . 38 GLN HB3 H 2.15 0.03 2 274 . 38 GLN HB2 H 2.20 0.03 2 275 . 38 GLN CG C 33.69 0.20 1 276 . 38 GLN HG2 H 2.57 0.03 1 277 . 38 GLN HG3 H 2.57 0.03 1 278 . 38 GLN NE2 N 114.81 0.20 1 279 . 38 GLN HE21 H 7.45 0.03 2 280 . 38 GLN HE22 H 6.88 0.03 2 281 . 39 CYS N N 119.49 0.20 1 282 . 39 CYS H H 7.61 0.03 1 283 . 39 CYS CA C 60.34 0.20 1 284 . 39 CYS HA H 4.42 0.03 1 285 . 39 CYS CB C 32.07 0.20 1 286 . 39 CYS HB3 H 3.42 0.03 1 287 . 39 CYS HB2 H 3.31 0.03 1 288 . 40 PHE N N 128.02 0.20 1 289 . 40 PHE H H 7.37 0.03 1 290 . 40 PHE CA C 56.35 0.20 1 291 . 40 PHE HA H 4.40 0.03 1 292 . 40 PHE CB C 37.51 0.20 1 293 . 40 PHE HB3 H 2.48 0.03 1 294 . 40 PHE HB2 H 3.30 0.03 1 295 . 40 PHE CD1 C 131.41 0.20 1 296 . 40 PHE HD1 H 6.59 0.03 1 297 . 40 PHE CD2 C 131.41 0.20 1 298 . 40 PHE HD2 H 6.59 0.03 1 299 . 40 PHE HE1 H 6.87 0.03 1 300 . 40 PHE HE2 H 6.87 0.03 1 301 . 40 PHE HZ H 6.76 0.03 1 302 . 41 VAL N N 113.40 0.20 1 303 . 41 VAL H H 6.73 0.03 1 304 . 41 VAL CA C 57.02 0.20 1 305 . 41 VAL HA H 3.62 0.03 1 306 . 41 VAL CB C 36.44 0.20 1 307 . 41 VAL HB H 1.24 0.03 1 308 . 41 VAL CG1 C 16.92 0.20 2 309 . 41 VAL HG1 H 0.45 0.03 2 310 . 41 VAL CG2 C 21.70 0.20 2 311 . 41 VAL HG2 H 0.39 0.03 2 312 . 42 CYS N N 124.67 0.20 1 313 . 42 CYS H H 7.33 0.03 1 314 . 42 CYS CA C 58.99 0.20 1 315 . 42 CYS HA H 4.10 0.03 1 316 . 42 CYS CB C 31.28 0.20 1 317 . 42 CYS HB3 H 3.37 0.03 1 318 . 42 CYS HB2 H 2.72 0.03 1 319 . 43 ALA N N 132.85 0.20 1 320 . 43 ALA H H 8.62 0.03 1 321 . 43 ALA CA C 53.82 0.20 1 322 . 43 ALA HA H 3.93 0.03 1 323 . 43 ALA CB C 18.52 0.20 1 324 . 43 ALA HB H 1.10 0.03 1 325 . 44 GLN N N 121.91 0.20 1 326 . 44 GLN H H 9.22 0.03 1 327 . 44 GLN CA C 56.43 0.20 1 328 . 44 GLN HA H 4.53 0.03 1 329 . 44 GLN CB C 29.49 0.20 1 330 . 44 GLN HB2 H 2.18 0.03 1 331 . 44 GLN HB3 H 2.18 0.03 1 332 . 44 GLN CG C 32.64 0.20 1 333 . 44 GLN HG3 H 2.15 0.03 2 334 . 44 GLN HG2 H 2.31 0.03 2 335 . 44 GLN NE2 N 113.71 0.20 1 336 . 44 GLN HE21 H 7.45 0.03 2 337 . 44 GLN HE22 H 6.70 0.03 2 338 . 45 CYS N N 118.57 0.20 1 339 . 45 CYS H H 8.00 0.03 1 340 . 45 CYS CA C 58.39 0.20 1 341 . 45 CYS HA H 4.75 0.03 1 342 . 45 CYS CB C 30.80 0.20 1 343 . 45 CYS HB3 H 3.23 0.03 2 344 . 45 CYS HB2 H 3.34 0.03 2 345 . 46 PHE N N 120.35 0.20 1 346 . 46 PHE H H 7.63 0.03 1 347 . 46 PHE CA C 58.64 0.20 1 348 . 46 PHE HA H 4.24 0.03 1 349 . 46 PHE CB C 35.59 0.20 1 350 . 46 PHE HB3 H 3.33 0.03 2 351 . 46 PHE HB2 H 3.23 0.03 2 352 . 46 PHE CD1 C 130.79 0.20 1 353 . 46 PHE HD1 H 6.97 0.03 1 354 . 46 PHE CD2 C 130.79 0.20 1 355 . 46 PHE HD2 H 6.97 0.03 1 356 . 47 GLN N N 119.00 0.20 1 357 . 47 GLN H H 7.90 0.03 1 358 . 47 GLN CA C 54.00 0.20 1 359 . 47 GLN HA H 4.60 0.03 1 360 . 47 GLN CB C 30.57 0.20 1 361 . 47 GLN HB2 H 2.23 0.03 1 362 . 47 GLN HB3 H 2.23 0.03 1 363 . 47 GLN CG C 34.33 0.20 1 364 . 47 GLN HG3 H 2.43 0.03 2 365 . 47 GLN HG2 H 2.53 0.03 2 366 . 48 GLN N N 122.02 0.20 1 367 . 48 GLN H H 8.46 0.03 1 368 . 48 GLN CA C 55.96 0.20 1 369 . 48 GLN HA H 3.92 0.03 1 370 . 48 GLN CB C 29.37 0.20 1 371 . 48 GLN HB3 H 2.12 0.03 1 372 . 48 GLN HB2 H 1.87 0.03 1 373 . 48 GLN CG C 34.37 0.20 1 374 . 48 GLN HG2 H 2.39 0.03 1 375 . 48 GLN HG3 H 2.39 0.03 1 376 . 48 GLN NE2 N 115.49 0.20 1 377 . 48 GLN HE21 H 7.60 0.03 2 378 . 48 GLN HE22 H 6.98 0.03 2 379 . 49 PHE N N 124.92 0.20 1 380 . 49 PHE H H 7.99 0.03 1 381 . 49 PHE CA C 56.12 0.20 1 382 . 49 PHE HA H 4.58 0.03 1 383 . 49 PHE CB C 37.85 0.20 1 384 . 49 PHE HB3 H 3.32 0.03 1 385 . 49 PHE HB2 H 2.41 0.03 1 386 . 49 PHE CD1 C 131.28 0.20 1 387 . 49 PHE HD1 H 6.67 0.03 1 388 . 49 PHE CD2 C 131.28 0.20 1 389 . 49 PHE HD2 H 6.67 0.03 1 390 . 50 PRO CA C 63.94 0.20 1 391 . 50 PRO HA H 4.49 0.03 1 392 . 50 PRO CB C 31.25 0.20 1 393 . 50 PRO HB3 H 2.40 0.03 1 394 . 50 PRO HB2 H 2.18 0.03 1 395 . 50 PRO CG C 27.86 0.20 1 396 . 50 PRO HG3 H 2.18 0.03 2 397 . 50 PRO HG2 H 2.42 0.03 2 398 . 50 PRO CD C 51.11 0.20 1 399 . 50 PRO HD3 H 4.25 0.03 2 400 . 50 PRO HD2 H 4.41 0.03 2 401 . 51 GLU N N 123.75 0.20 1 402 . 51 GLU H H 9.27 0.03 1 403 . 51 GLU CA C 57.20 0.20 1 404 . 51 GLU HA H 4.02 0.03 1 405 . 51 GLU CB C 27.90 0.20 1 406 . 51 GLU HB3 H 2.19 0.03 2 407 . 51 GLU HB2 H 2.33 0.03 2 408 . 51 GLU CG C 36.35 0.20 1 409 . 51 GLU HG3 H 2.23 0.03 2 410 . 51 GLU HG2 H 2.29 0.03 2 411 . 52 GLY N N 108.51 0.20 1 412 . 52 GLY H H 8.24 0.03 1 413 . 52 GLY CA C 45.99 0.20 1 414 . 52 GLY HA3 H 3.90 0.03 2 415 . 52 GLY HA2 H 4.21 0.03 2 416 . 53 LEU N N 124.50 0.20 1 417 . 53 LEU H H 7.57 0.03 1 418 . 53 LEU CA C 54.80 0.20 1 419 . 53 LEU HA H 4.07 0.03 1 420 . 53 LEU CB C 41.92 0.20 1 421 . 53 LEU HB2 H 1.53 0.03 2 422 . 53 LEU CG C 26.75 0.20 1 423 . 53 LEU HG H 1.32 0.03 1 424 . 53 LEU CD1 C 24.32 0.20 1 425 . 53 LEU HD1 H 0.70 0.03 2 426 . 53 LEU CD2 C 24.32 0.20 1 427 . 53 LEU HD2 H 0.78 0.03 2 428 . 54 PHE N N 121.94 0.20 1 429 . 54 PHE H H 6.79 0.03 1 430 . 54 PHE CA C 53.91 0.20 1 431 . 54 PHE HA H 4.78 0.03 1 432 . 54 PHE CB C 41.26 0.20 1 433 . 54 PHE HB3 H 0.57 0.03 2 434 . 54 PHE HB2 H 1.86 0.03 2 435 . 54 PHE CD1 C 131.47 0.20 1 436 . 54 PHE HD1 H 6.38 0.03 1 437 . 54 PHE CD2 C 131.47 0.20 1 438 . 54 PHE HD2 H 6.38 0.03 1 439 . 54 PHE HE1 H 7.24 0.03 1 440 . 54 PHE HE2 H 7.24 0.03 1 441 . 55 TYR N N 122.16 0.20 1 442 . 55 TYR H H 9.28 0.03 1 443 . 55 TYR CA C 56.68 0.20 1 444 . 55 TYR HA H 4.18 0.03 1 445 . 55 TYR CB C 40.87 0.20 1 446 . 55 TYR HB3 H 1.60 0.03 1 447 . 55 TYR HB2 H 1.95 0.03 1 448 . 55 TYR CD1 C 133.27 0.20 1 449 . 55 TYR HD1 H 6.63 0.03 1 450 . 55 TYR CD2 C 133.27 0.20 1 451 . 55 TYR HD2 H 6.63 0.03 1 452 . 56 GLU N N 126.33 0.20 1 453 . 56 GLU H H 8.79 0.03 1 454 . 56 GLU CA C 55.20 0.20 1 455 . 56 GLU HA H 5.56 0.03 1 456 . 56 GLU CB C 32.50 0.20 1 457 . 56 GLU HB3 H 1.95 0.03 2 458 . 56 GLU HB2 H 2.09 0.03 2 459 . 56 GLU CG C 37.39 0.20 1 460 . 56 GLU HG3 H 2.10 0.03 2 461 . 56 GLU HG2 H 2.20 0.03 2 462 . 57 PHE N N 126.88 0.20 1 463 . 57 PHE H H 9.33 0.03 1 464 . 57 PHE CA C 58.78 0.20 1 465 . 57 PHE HA H 4.78 0.03 1 466 . 57 PHE CB C 42.53 0.20 1 467 . 57 PHE HB3 H 2.97 0.03 2 468 . 57 PHE HB2 H 3.09 0.03 2 469 . 57 PHE HD1 H 7.14 0.03 1 470 . 57 PHE HD2 H 7.14 0.03 1 471 . 58 GLU N N 131.01 0.20 1 472 . 58 GLU H H 9.22 0.03 1 473 . 58 GLU CA C 56.96 0.20 1 474 . 58 GLU HA H 3.60 0.03 1 475 . 58 GLU CB C 27.43 0.20 1 476 . 58 GLU HB3 H 1.61 0.03 2 477 . 58 GLU HB2 H 2.06 0.03 2 478 . 58 GLU CG C 36.30 0.20 1 479 . 58 GLU HG3 H 1.24 0.03 2 480 . 58 GLU HG2 H 1.60 0.03 2 481 . 59 GLY N N 105.82 0.20 1 482 . 59 GLY H H 8.67 0.03 1 483 . 59 GLY CA C 45.53 0.20 1 484 . 59 GLY HA3 H 3.67 0.03 2 485 . 59 GLY HA2 H 4.14 0.03 2 486 . 60 ARG N N 123.58 0.20 1 487 . 60 ARG H H 7.97 0.03 1 488 . 60 ARG CA C 54.39 0.20 1 489 . 60 ARG HA H 4.69 0.03 1 490 . 60 ARG CB C 33.31 0.20 1 491 . 60 ARG HB3 H 1.35 0.03 2 492 . 60 ARG HB2 H 2.05 0.03 2 493 . 60 ARG CG C 27.73 0.20 1 494 . 60 ARG HG3 H 1.62 0.03 2 495 . 60 ARG HG2 H 1.77 0.03 2 496 . 60 ARG CD C 43.48 0.20 1 497 . 60 ARG HD3 H 3.26 0.03 2 498 . 60 ARG HD2 H 3.34 0.03 2 499 . 61 LYS N N 122.31 0.20 1 500 . 61 LYS H H 8.11 0.03 1 501 . 61 LYS CA C 55.73 0.20 1 502 . 61 LYS HA H 4.77 0.03 1 503 . 61 LYS CB C 35.33 0.20 1 504 . 61 LYS HB3 H 0.99 0.03 1 505 . 61 LYS HB2 H 1.45 0.03 1 506 . 61 LYS CG C 25.77 0.20 1 507 . 61 LYS HG3 H 0.69 0.03 2 508 . 61 LYS HG2 H 1.31 0.03 2 509 . 61 LYS CD C 28.49 0.20 1 510 . 61 LYS HD3 H 0.03 0.03 2 511 . 61 LYS HD2 H 0.96 0.03 2 512 . 61 LYS CE C 42.10 0.20 1 513 . 61 LYS HE3 H 2.44 0.03 2 514 . 61 LYS HE2 H 2.72 0.03 2 515 . 62 TYR N N 121.66 0.20 1 516 . 62 TYR H H 9.23 0.03 1 517 . 62 TYR CA C 57.00 0.20 1 518 . 62 TYR HA H 6.24 0.03 1 519 . 62 TYR CB C 44.03 0.20 1 520 . 62 TYR HB3 H 3.05 0.03 1 521 . 62 TYR HB2 H 3.54 0.03 1 522 . 62 TYR CD1 C 132.89 0.20 1 523 . 62 TYR HD1 H 7.32 0.03 1 524 . 62 TYR CD2 C 132.89 0.20 1 525 . 62 TYR HD2 H 7.32 0.03 1 526 . 62 TYR CE1 C 118.51 0.20 1 527 . 62 TYR HE1 H 7.02 0.03 1 528 . 62 TYR CE2 C 118.51 0.20 1 529 . 62 TYR HE2 H 7.02 0.03 1 530 . 63 CYS N N 124.22 0.20 1 531 . 63 CYS H H 9.83 0.03 1 532 . 63 CYS CA C 57.27 0.20 1 533 . 63 CYS HA H 5.20 0.03 1 534 . 63 CYS CB C 30.76 0.20 1 535 . 63 CYS HB3 H 3.80 0.03 1 536 . 63 CYS HB2 H 3.41 0.03 1 537 . 64 GLU N N 124.65 0.20 1 538 . 64 GLU H H 9.71 0.03 1 539 . 64 GLU CA C 60.68 0.20 1 540 . 64 GLU HA H 3.65 0.03 1 541 . 64 GLU CB C 30.54 0.20 1 542 . 64 GLU HB3 H 2.08 0.03 2 543 . 64 GLU HB2 H 2.27 0.03 2 544 . 64 GLU CG C 36.35 0.20 1 545 . 64 GLU HG3 H 2.08 0.03 2 546 . 64 GLU HG2 H 2.27 0.03 2 547 . 65 HIS N N 118.63 0.20 1 548 . 65 HIS H H 8.79 0.03 1 549 . 65 HIS CA C 59.33 0.20 1 550 . 65 HIS HA H 4.29 0.03 1 551 . 65 HIS CB C 29.10 0.20 1 552 . 65 HIS HB3 H 3.29 0.03 2 553 . 65 HIS HB2 H 3.40 0.03 2 554 . 66 ASP N N 122.20 0.20 1 555 . 66 ASP H H 8.83 0.03 1 556 . 66 ASP CA C 58.02 0.20 1 557 . 66 ASP HA H 4.51 0.03 1 558 . 66 ASP CB C 41.04 0.20 1 559 . 66 ASP HB3 H 2.52 0.03 1 560 . 66 ASP HB2 H 3.32 0.03 1 561 . 67 PHE N N 124.59 0.20 1 562 . 67 PHE H H 9.29 0.03 1 563 . 67 PHE CA C 61.14 0.20 1 564 . 67 PHE HA H 3.81 0.03 1 565 . 67 PHE CB C 39.85 0.20 1 566 . 67 PHE HB3 H 2.88 0.03 1 567 . 67 PHE HB2 H 3.12 0.03 1 568 . 67 PHE CD1 C 131.32 0.20 1 569 . 67 PHE HD1 H 6.75 0.03 1 570 . 67 PHE CD2 C 131.32 0.20 1 571 . 67 PHE HD2 H 6.75 0.03 1 572 . 67 PHE HE1 H 7.17 0.03 1 573 . 67 PHE HE2 H 7.17 0.03 1 574 . 68 GLN N N 117.99 0.20 1 575 . 68 GLN H H 8.10 0.03 1 576 . 68 GLN CA C 58.22 0.20 1 577 . 68 GLN HA H 3.69 0.03 1 578 . 68 GLN CB C 27.72 0.20 1 579 . 68 GLN HB3 H 1.95 0.03 2 580 . 68 GLN HB2 H 2.08 0.03 2 581 . 68 GLN CG C 33.92 0.20 1 582 . 68 GLN HG3 H 2.58 0.03 2 583 . 68 GLN HG2 H 2.35 0.03 2 584 . 69 MET N N 118.03 0.20 1 585 . 69 MET H H 7.30 0.03 1 586 . 69 MET CA C 56.63 0.20 1 587 . 69 MET HA H 4.05 0.03 1 588 . 69 MET CB C 32.70 0.20 1 589 . 69 MET HB2 H 1.93 0.03 1 590 . 69 MET HB3 H 1.93 0.03 1 591 . 69 MET CG C 31.48 0.20 1 592 . 69 MET HG3 H 2.25 0.03 2 593 . 69 MET HG2 H 2.44 0.03 2 594 . 70 LEU N N 120.40 0.20 1 595 . 70 LEU H H 7.32 0.03 1 596 . 70 LEU CA C 56.23 0.20 1 597 . 70 LEU HA H 3.65 0.03 1 598 . 70 LEU CB C 41.38 0.20 1 599 . 70 LEU HB3 H -0.10 0.03 1 600 . 70 LEU HB2 H 0.60 0.03 1 601 . 70 LEU CG C 26.09 0.20 4 602 . 70 LEU HG H 1.22 0.03 4 603 . 70 LEU CD1 C 24.62 0.20 4 604 . 70 LEU HD1 H 0.05 0.03 4 605 . 70 LEU CD2 C 21.67 0.20 4 606 . 70 LEU HD2 H 0.37 0.03 4 607 . 71 PHE N N 117.94 0.20 1 608 . 71 PHE H H 7.12 0.03 1 609 . 71 PHE CA C 56.64 0.20 1 610 . 71 PHE HA H 4.32 0.03 1 611 . 71 PHE CB C 39.44 0.20 1 612 . 71 PHE HB3 H 2.62 0.03 1 613 . 71 PHE HB2 H 1.93 0.03 1 614 . 71 PHE CD1 C 129.60 0.20 1 615 . 71 PHE HD1 H 6.60 0.03 1 616 . 71 PHE CD2 C 129.60 0.20 1 617 . 71 PHE HD2 H 6.60 0.03 1 618 . 72 ALA N N 126.52 0.20 1 619 . 72 ALA H H 7.36 0.03 1 620 . 72 ALA CA C 50.88 0.20 1 621 . 72 ALA HA H 4.35 0.03 1 622 . 72 ALA CB C 18.48 0.20 1 623 . 72 ALA HB H 1.20 0.03 1 624 . 73 PRO CA C 62.95 0.20 1 625 . 73 PRO HA H 4.22 0.03 1 626 . 73 PRO CB C 31.80 0.20 1 627 . 73 PRO HB3 H 1.49 0.03 2 628 . 73 PRO HB2 H 1.98 0.03 2 629 . 73 PRO CG C 27.07 0.20 1 630 . 73 PRO HG2 H 1.81 0.03 1 631 . 73 PRO HG3 H 1.81 0.03 1 632 . 73 PRO CD C 50.18 0.20 1 633 . 73 PRO HD3 H 3.48 0.03 2 634 . 73 PRO HD2 H 3.45 0.03 2 635 . 74 CYS N N 121.33 0.20 1 636 . 74 CYS H H 8.03 0.03 1 637 . 74 CYS CA C 57.80 0.20 1 638 . 74 CYS HA H 4.41 0.03 1 639 . 74 CYS CB C 27.99 0.20 1 640 . 74 CYS HB2 H 2.78 0.03 1 641 . 74 CYS HB3 H 2.78 0.03 1 stop_ save_