data_6238 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Complete 1H, 15N amd 13C Chemical Shift Assignments of the murine CBP ZZ domain (a.a. 1700-1751) ; _BMRB_accession_number 6238 _BMRB_flat_file_name bmr6238.str _Entry_type original _Submission_date 2004-06-14 _Accession_date 2004-06-17 _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 Legge Glen B. . 2 Hambly David . . 3 Trinh Tam . . 4 Martinez-Yamout Maria A. . 5 Dyson H. Jane . 6 Wright Peter E. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 309 "13C chemical shifts" 222 "15N chemical shifts" 56 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2004-11-12 original author . stop_ _Original_release_date 2004-11-12 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'ZZ Domain of CBP: an Unusual Zinc Finger Fold in a Protein Interaction Module' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 15476823 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Legge Glen B. . 2 Martinez-Yamout Maria A. . 3 Hambly David M. . 4 Trinh Tam . . 5 Lee B. M. . 6 Dyson H. Jane . 7 Wright Peter E. . stop_ _Journal_abbreviation 'J. Mol. Biol.' _Journal_volume 343 _Journal_issue 4 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 1081 _Page_last 1093 _Year 2004 _Details . loop_ _Keyword NMR CBP Zinc p53 TAZ CH3 stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'ZZ domain of CBP' _Abbreviation_common 'ZZ domain of CBP' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'ZZ domain of CBP' $ZZ_domain_of_CBP 'ZINC (II) ION, 1' $ZN 'ZINC (II) ION, 2' $ZN stop_ _System_molecular_weight 6219 _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'all other bound' _Database_query_date . _Details ; The ZZ domain of human CBP (CREB-Binding Protein) is a recombinant domain construct consisting of residues 1700-1751 from the full length murine protein, and contains two covalently coordinated zinc molecules. ; save_ ######################## # Monomeric polymers # ######################## save_ZZ_domain_of_CBP _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common ZZ _Name_variant ZZ _Abbreviation_common ZZ _Molecular_mass . _Mol_thiol_state 'all other bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 52 _Mol_residue_sequence ; GQDRFVYTCNECKHHVETRW HCTVCEDYDLCINCYNTKSH THKMVKWGLGLD ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 GLN 3 ASP 4 ARG 5 PHE 6 VAL 7 TYR 8 THR 9 CYS 10 ASN 11 GLU 12 CYS 13 LYS 14 HIS 15 HIS 16 VAL 17 GLU 18 THR 19 ARG 20 TRP 21 HIS 22 CYS 23 THR 24 VAL 25 CYS 26 GLU 27 ASP 28 TYR 29 ASP 30 LEU 31 CYS 32 ILE 33 ASN 34 CYS 35 TYR 36 ASN 37 THR 38 LYS 39 SER 40 HIS 41 THR 42 HIS 43 LYS 44 MET 45 VAL 46 LYS 47 TRP 48 GLY 49 LEU 50 GLY 51 LEU 52 ASP 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 1TOT "Zz Domain Of Cbp- A Novel Fold For A Protein Interaction Module" 100.00 52 100.00 100.00 1.00e-29 DBJ BAE06125 "CREBBP variant protein [Homo sapiens]" 100.00 2472 98.08 98.08 1.09e-32 DBJ BAI45616 "CREB binding protein [synthetic construct]" 100.00 2442 98.08 98.08 1.09e-32 GB AAB28651 "CREB-binding protein [Mus sp.]" 100.00 2441 100.00 100.00 2.30e-33 GB AAC17736 "CBP [Homo sapiens]" 100.00 923 98.08 98.08 5.12e-33 GB AAC51331 "CREB-binding protein [Homo sapiens]" 100.00 2442 98.08 98.08 1.09e-32 GB AAC51770 "CREB-binding protein [Homo sapiens]" 100.00 2442 98.08 98.08 1.09e-32 GB AAI72737 "CREB binding protein [synthetic construct]" 100.00 2441 100.00 100.00 2.30e-33 PRF 1923401A "protein CBP" 100.00 2441 100.00 100.00 2.30e-33 REF NP_001020603 "CREB-binding protein [Mus musculus]" 100.00 2441 100.00 100.00 2.30e-33 REF NP_001073315 "CREB-binding protein isoform b [Homo sapiens]" 100.00 2404 98.08 98.08 1.08e-32 REF NP_001157494 "CREB-binding protein [Bos taurus]" 100.00 2435 100.00 100.00 2.30e-33 REF NP_001247644 "CREB-binding protein [Macaca mulatta]" 100.00 2442 98.08 98.08 1.09e-32 REF NP_004371 "CREB-binding protein isoform a [Homo sapiens]" 100.00 2442 98.08 98.08 1.09e-32 SP P45481 "RecName: Full=CREB-binding protein [Mus musculus]" 100.00 2441 100.00 100.00 2.30e-33 SP Q6JHU9 "RecName: Full=CREB-binding protein [Rattus norvegicus]" 100.00 2442 100.00 100.00 2.30e-33 SP Q92793 "RecName: Full=CREB-binding protein [Homo sapiens]" 100.00 2442 98.08 98.08 1.09e-32 TPG DAA15549 "TPA: CREB binding protein [Bos taurus]" 100.00 2435 100.00 100.00 2.30e-33 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 $ZZ_domain_of_CBP 'house mouse' 10090 Eukaryota Metazoa Mus musculus 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 $ZZ_domain_of_CBP 'recombinant technology' 'E. coli' Escherichia coli . . 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 $ZZ_domain_of_CBP 2.3 mM '[U-13C; U-15N]' 'Zinc Chloride' 50 uM . Salt 150 mM . Tris 20 mM . DTT 2 mM . D2O 5 '% v/v' . stop_ save_ ############################ # Computer software used # ############################ save_NMRPIPE_1 _Saveframe_category software _Name NMRPIPE _Version . loop_ _Vendor _Address _Electronic_address 'Ad Bax' ; Dr. Ad Bax National Institutes of Health DHHS NIDDK LCP Building 5, Room 126 9000 Rockville Pike Bethesda, MD 20892-0520 Tel.: 301-496-2848 Fax: 301-402-0907 E-mail: bax@nih.gov ; http://spin.niddk.nih.gov/bax/ stop_ _Details ; F. Delaglio, S. Grzesiek, G. W. Vuister, G. Zhu, J. Pfeifer and A. Bax: NMRPipe: a multidimensional spectral processing system based on UNIX pipes. J. Biomol. NMR. 6, 277-293 (1995). ; save_ save_NMRVIEW_1 _Saveframe_category software _Name NMRVIEW _Version 5.04 loop_ _Vendor _Address _Electronic_address 'One Moon Scientific' . 'http://onemoonscientific.com/nmrview/index.html http://www.nmrfam.wisc.edu/~volkman/LinuxNMR/programs.html#nmrview' stop_ _Details ; A computer program for the visualization and analysis of NMR data (1994) B. A. Johnson and R. A. Blevins, J. Biomolecular NMR 4:603-614. ; save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AMX _Field_strength 500 _Details . save_ save_spectrometer2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_1H15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '1H15N HSQC' _Sample_label $sample_1 save_ save_HNCA_2 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _Sample_label $sample_1 save_ save_CCONH_TOCSY_3 _Saveframe_category NMR_applied_experiment _Experiment_name 'CCONH TOCSY' _Sample_label $sample_1 save_ save_HCCONH_TOCSY_4 _Saveframe_category NMR_applied_experiment _Experiment_name 'HCCONH TOCSY' _Sample_label $sample_1 save_ save_CBCA(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name CBCA(CO)NH _Sample_label $sample_1 save_ save_HCCH_TOCSY_6 _Saveframe_category NMR_applied_experiment _Experiment_name 'HCCH TOCSY' _Sample_label $sample_1 save_ save_HCCH_COSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name 'HCCH COSY' _Sample_label $sample_1 save_ save_HNHB_8 _Saveframe_category NMR_applied_experiment _Experiment_name HNHB _Sample_label $sample_1 save_ save_CN_NOESY_9 _Saveframe_category NMR_applied_experiment _Experiment_name 'CN NOESY' _Sample_label $sample_1 save_ save_1H/15N_NOESY_HSQC_10 _Saveframe_category NMR_applied_experiment _Experiment_name '1H/15N NOESY HSQC' _Sample_label $sample_1 save_ save_1H13C_HSQC_11 _Saveframe_category NMR_applied_experiment _Experiment_name '1H13C HSQC' _Sample_label $sample_1 save_ save_1H13C_HSQC_aromatic_12 _Saveframe_category NMR_applied_experiment _Experiment_name '1H13C HSQC aromatic' _Sample_label $sample_1 save_ save_CGCO_13 _Saveframe_category NMR_applied_experiment _Experiment_name CGCO _Sample_label $sample_1 save_ save_CGCN_14 _Saveframe_category NMR_applied_experiment _Experiment_name CGCN _Sample_label $sample_1 save_ save_CBCGCD_15 _Saveframe_category NMR_applied_experiment _Experiment_name CBCGCD _Sample_label $sample_1 save_ save_HNHA_16 _Saveframe_category NMR_applied_experiment _Experiment_name HNHA _Sample_label $sample_1 save_ save_1H15H_TOSCY_HSQC_17 _Saveframe_category NMR_applied_experiment _Experiment_name '1H15H TOSCY HSQC' _Sample_label $sample_1 save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name '1H15N HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_3 _Saveframe_category NMR_applied_experiment _Experiment_name 'CCONH TOCSY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_4 _Saveframe_category NMR_applied_experiment _Experiment_name 'HCCONH TOCSY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_5 _Saveframe_category NMR_applied_experiment _Experiment_name CBCA(CO)NH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_6 _Saveframe_category NMR_applied_experiment _Experiment_name 'HCCH TOCSY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_7 _Saveframe_category NMR_applied_experiment _Experiment_name 'HCCH COSY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_8 _Saveframe_category NMR_applied_experiment _Experiment_name HNHB _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_9 _Saveframe_category NMR_applied_experiment _Experiment_name 'CN NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_10 _Saveframe_category NMR_applied_experiment _Experiment_name '1H/15N NOESY HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_11 _Saveframe_category NMR_applied_experiment _Experiment_name '1H13C HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_12 _Saveframe_category NMR_applied_experiment _Experiment_name '1H13C HSQC aromatic' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_13 _Saveframe_category NMR_applied_experiment _Experiment_name CGCO _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_14 _Saveframe_category NMR_applied_experiment _Experiment_name CGCN _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_15 _Saveframe_category NMR_applied_experiment _Experiment_name CBCGCD _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_16 _Saveframe_category NMR_applied_experiment _Experiment_name HNHA _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_17 _Saveframe_category NMR_applied_experiment _Experiment_name '1H15H TOSCY HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_Ex-cond_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.8 0.1 n/a temperature 298 0.2 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 H2O H 1 protons ppm 0.00 external direct cylindrical 'outside sample' parallel H2O N 15 N ppm 0.00 external indirect cylindrical 'outside sample' parallel H2O C 13 C ppm 0.00 external indirect cylindrical 'outside sample' parallel CdCl2 Cd . 'Cadmium (zinc substitute)' ppm 0.00 external direct cylindrical 'outside sample' parallel 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_shift_1 _Saveframe_category assigned_chemical_shifts _Details 'Virtually complete assignments of the mCBP ZZ domain (1700-1751) were obtained.' loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $Ex-cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'ZZ domain of CBP' _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 GLY CA C 43.200 0.2 1 2 . 1 GLY HA3 H 3.840 0.02 1 3 . 1 GLY HA2 H 3.840 0.02 1 4 . 2 GLN NE2 N 111.290 0.1 1 5 . 2 GLN CA C 53.150 0.2 1 6 . 2 GLN CB C 27.691 0.2 1 7 . 2 GLN CG C 31.171 0.2 1 8 . 2 GLN C C 175.054 0.2 1 9 . 2 GLN HA H 4.270 0.02 1 10 . 2 GLN HB3 H 1.810 0.02 2 11 . 2 GLN HB2 H 1.710 0.02 2 12 . 2 GLN HG3 H 2.640 0.02 2 13 . 2 GLN HG2 H 2.610 0.02 2 14 . 2 GLN HE22 H 7.270 0.02 2 15 . 2 GLN HE21 H 6.560 0.02 2 16 . 3 ASP N N 124.564 0.1 1 17 . 3 ASP H H 8.345 0.02 1 18 . 3 ASP CA C 51.464 0.2 1 19 . 3 ASP HA H 4.468 0.02 1 20 . 3 ASP CB C 39.479 0.2 1 21 . 3 ASP HB3 H 2.353 0.02 2 22 . 3 ASP HB2 H 2.437 0.02 2 23 . 3 ASP C C 175.491 0.2 1 24 . 4 ARG N N 121.604 0.1 1 25 . 4 ARG H H 8.373 0.02 1 26 . 4 ARG CA C 54.587 0.2 1 27 . 4 ARG HA H 3.751 0.02 1 28 . 4 ARG CB C 27.000 0.2 1 29 . 4 ARG HB3 H 1.568 0.02 1 30 . 4 ARG HB2 H 1.568 0.02 1 31 . 4 ARG CG C 24.866 0.2 1 32 . 4 ARG HG3 H 1.340 0.02 2 33 . 4 ARG HG2 H 1.289 0.02 2 34 . 4 ARG CD C 41.000 0.2 1 35 . 4 ARG HD3 H 2.980 0.02 2 36 . 4 ARG HD2 H 2.982 0.02 2 37 . 4 ARG C C 175.269 0.2 1 38 . 5 PHE N N 118.434 0.1 1 39 . 5 PHE H H 8.122 0.02 1 40 . 5 PHE CA C 55.541 0.2 1 41 . 5 PHE HA H 4.336 0.02 1 42 . 5 PHE CB C 36.534 0.2 1 43 . 5 PHE HB3 H 3.061 0.02 2 44 . 5 PHE HB2 H 2.907 0.02 2 45 . 5 PHE CD1 C 131.000 0.2 1 46 . 5 PHE CD2 C 131.000 0.2 1 47 . 5 PHE HD1 H 7.080 0.02 1 48 . 5 PHE HD2 H 7.080 0.02 1 49 . 5 PHE CE1 C 131.000 0.2 1 50 . 5 PHE CE2 C 131.000 0.2 1 51 . 5 PHE HE1 H 7.190 0.02 1 52 . 5 PHE HE2 H 7.190 0.02 1 53 . 5 PHE CZ C 131.000 0.2 1 54 . 5 PHE HZ H 7.200 0.02 1 55 . 5 PHE C C 174.726 0.2 1 56 . 6 VAL N N 118.703 0.1 1 57 . 6 VAL H H 7.569 0.02 1 58 . 6 VAL CA C 58.794 0.2 1 59 . 6 VAL HA H 4.150 0.02 1 60 . 6 VAL CB C 31.369 0.2 1 61 . 6 VAL HB H 1.879 0.02 1 62 . 6 VAL CG1 C 19.173 0.2 2 63 . 6 VAL HG1 H 0.614 0.02 2 64 . 6 VAL CG2 C 17.911 0.2 2 65 . 6 VAL HG2 H 0.626 0.02 2 66 . 6 VAL C C 174.565 0.2 1 67 . 7 TYR N N 124.303 0.1 1 68 . 7 TYR H H 8.622 0.02 1 69 . 7 TYR CA C 55.048 0.2 1 70 . 7 TYR HA H 4.916 0.02 1 71 . 7 TYR CB C 38.511 0.2 1 72 . 7 TYR HB2 H 2.716 0.02 1 73 . 7 TYR HB3 H 2.488 0.02 1 74 . 7 TYR CD1 C 133.077 0.2 1 75 . 7 TYR HD1 H 6.904 0.02 1 76 . 7 TYR CE1 C 117.915 0.2 1 77 . 7 TYR HE1 H 6.566 0.02 1 78 . 7 TYR CE2 C 117.915 0.2 1 79 . 7 TYR HE2 H 6.566 0.02 1 80 . 7 TYR CD2 C 133.077 0.2 1 81 . 7 TYR HD2 H 6.904 0.02 1 82 . 7 TYR C C 175.447 0.2 1 83 . 8 THR N N 112.954 0.1 1 84 . 8 THR H H 8.682 0.02 1 85 . 8 THR CA C 57.332 0.2 1 86 . 8 THR HA H 4.876 0.02 1 87 . 8 THR CB C 69.785 0.2 1 88 . 8 THR HB H 3.564 0.02 1 89 . 8 THR CG2 C 19.636 0.2 1 90 . 8 THR HG2 H 0.801 0.02 1 91 . 8 THR C C 173.614 0.2 1 92 . 9 CYS N N 124.766 0.1 1 93 . 9 CYS H H 8.455 0.02 1 94 . 9 CYS CA C 56.485 0.2 1 95 . 9 CYS HA H 4.066 0.02 1 96 . 9 CYS CB C 29.107 0.2 1 97 . 9 CYS HB3 H 3.359 0.02 1 98 . 9 CYS HB2 H 2.666 0.02 1 99 . 9 CYS C C 177.406 0.2 1 100 . 10 ASN N N 130.124 0.1 1 101 . 10 ASN H H 9.558 0.02 1 102 . 10 ASN ND2 N 116.630 0.1 1 103 . 10 ASN HD22 H 8.140 0.02 2 104 . 10 ASN HD21 H 7.350 0.02 2 105 . 10 ASN CA C 55.361 0.2 1 106 . 10 ASN HA H 4.194 0.02 1 107 . 10 ASN CB C 37.099 0.2 1 108 . 10 ASN HB3 H 2.518 0.02 2 109 . 10 ASN HB2 H 1.966 0.02 2 110 . 11 GLU N N 118.999 0.1 1 111 . 11 GLU H H 8.667 0.02 1 112 . 11 GLU CA C 55.697 0.2 1 113 . 11 GLU HA H 4.487 0.02 1 114 . 11 GLU CB C 28.108 0.2 1 115 . 11 GLU HB2 H 2.230 0.02 1 116 . 11 GLU HB3 H 2.100 0.02 1 117 . 11 GLU CG C 33.730 0.2 1 118 . 11 GLU HG2 H 2.243 0.02 1 119 . 11 GLU HG3 H 2.243 0.02 1 120 . 11 GLU C C 176.743 0.2 1 121 . 12 CYS N N 118.993 0.1 1 122 . 12 CYS H H 8.367 0.02 1 123 . 12 CYS CA C 57.164 0.2 1 124 . 12 CYS HA H 4.764 0.02 1 125 . 12 CYS CB C 29.574 0.2 1 126 . 12 CYS HB3 H 3.074 0.02 2 127 . 12 CYS HB2 H 2.490 0.02 2 128 . 12 CYS C C 176.355 0.2 1 129 . 13 LYS N N 115.489 0.1 1 130 . 13 LYS H H 7.643 0.02 1 131 . 13 LYS CA C 55.235 0.2 1 132 . 13 LYS HA H 4.152 0.02 1 133 . 13 LYS CB C 26.190 0.2 1 134 . 13 LYS HB2 H 2.133 0.02 1 135 . 13 LYS HB3 H 1.919 0.02 1 136 . 13 LYS CG C 22.807 0.2 1 137 . 13 LYS HG3 H 1.276 0.02 2 138 . 13 LYS HG2 H 1.145 0.02 2 139 . 13 LYS CD C 26.603 0.2 1 140 . 13 LYS HD3 H 1.499 0.02 1 141 . 13 LYS HD2 H 1.499 0.02 1 142 . 13 LYS CE C 40.521 0.2 1 143 . 13 LYS HE3 H 2.894 0.02 1 144 . 13 LYS HE2 H 2.894 0.02 1 145 . 13 LYS C C 175.590 0.2 1 146 . 14 HIS N N 119.950 0.1 1 147 . 14 HIS H H 8.250 0.02 1 148 . 14 HIS CA C 54.539 0.2 1 149 . 14 HIS HA H 4.543 0.02 1 150 . 14 HIS CB C 29.156 0.2 1 151 . 14 HIS HB3 H 3.241 0.02 1 152 . 14 HIS HB2 H 3.241 0.02 1 153 . 14 HIS CD2 C 120.700 0.2 1 154 . 14 HIS HD2 H 7.140 0.02 1 155 . 14 HIS CE1 C 136.200 0.2 1 156 . 14 HIS HE1 H 7.950 0.02 1 157 . 15 HIS N N 121.250 0.1 1 158 . 15 HIS H H 8.515 0.02 1 159 . 15 HIS CA C 54.315 0.2 1 160 . 15 HIS HA H 5.074 0.02 1 161 . 15 HIS CB C 28.323 0.2 1 162 . 15 HIS HB3 H 3.015 0.02 1 163 . 15 HIS HB2 H 3.015 0.02 1 164 . 15 HIS CD2 C 119.800 0.2 1 165 . 15 HIS HD2 H 6.980 0.02 1 166 . 15 HIS CE1 C 137.700 0.2 1 167 . 15 HIS HE1 H 7.770 0.02 1 168 . 15 HIS C C 174.345 0.2 1 169 . 16 VAL N N 116.639 0.1 1 170 . 16 VAL H H 8.409 0.02 1 171 . 16 VAL CA C 57.003 0.2 1 172 . 16 VAL HA H 4.708 0.02 1 173 . 16 VAL CB C 33.282 0.2 1 174 . 16 VAL HB H 2.214 0.02 1 175 . 16 VAL CG1 C 21.415 0.2 2 176 . 16 VAL HG1 H 0.858 0.02 2 177 . 16 VAL CG2 C 17.089 0.2 2 178 . 16 VAL HG2 H 0.513 0.02 2 179 . 16 VAL C C 175.446 0.2 1 180 . 17 GLU N N 121.496 0.1 1 181 . 17 GLU H H 8.502 0.02 1 182 . 17 GLU CA C 55.134 0.2 1 183 . 17 GLU HA H 4.460 0.02 1 184 . 17 GLU CB C 28.495 0.2 1 185 . 17 GLU HB3 H 2.081 0.02 2 186 . 17 GLU HB2 H 1.920 0.02 2 187 . 17 GLU CG C 34.549 0.2 1 188 . 17 GLU HG2 H 2.223 0.02 1 189 . 17 GLU HG3 H 2.223 0.02 1 190 . 17 GLU C C 176.297 0.2 1 191 . 18 THR N N 117.367 0.1 1 192 . 18 THR H H 7.727 0.02 1 193 . 18 THR CA C 60.427 0.2 1 194 . 18 THR HA H 3.899 0.02 1 195 . 18 THR CB C 66.920 0.2 1 196 . 18 THR HB H 3.899 0.02 1 197 . 18 THR CG2 C 19.761 0.2 1 198 . 18 THR HG2 H 0.937 0.02 1 199 . 18 THR C C 176.713 0.2 1 200 . 19 ARG N N 121.877 0.1 1 201 . 19 ARG H H 8.640 0.02 1 202 . 19 ARG CA C 51.237 0.2 1 203 . 19 ARG HA H 4.846 0.02 1 204 . 19 ARG CB C 30.358 0.2 1 205 . 19 ARG HB3 H 1.384 0.02 2 206 . 19 ARG HB2 H 1.287 0.02 2 207 . 19 ARG CG C 24.065 0.2 1 208 . 19 ARG HG3 H 1.287 0.02 2 209 . 19 ARG HG2 H 1.145 0.02 2 210 . 19 ARG CD C 41.120 0.2 1 211 . 19 ARG HD3 H 2.424 0.02 2 212 . 19 ARG HD2 H 2.248 0.02 2 213 . 19 ARG C C 172.305 0.2 1 214 . 20 TRP N N 122.441 0.1 1 215 . 20 TRP H H 9.333 0.02 1 216 . 20 TRP NE1 N 126.700 0.1 1 217 . 20 TRP HE1 H 9.530 0.02 1 218 . 20 TRP CA C 54.150 0.2 1 219 . 20 TRP HA H 4.709 0.02 1 220 . 20 TRP CB C 28.562 0.2 1 221 . 20 TRP HB3 H 2.736 0.02 1 222 . 20 TRP HB2 H 2.680 0.02 1 223 . 20 TRP CD1 C 124.610 0.2 1 224 . 20 TRP HD1 H 6.370 0.02 1 225 . 20 TRP HE3 H 6.550 0.02 1 226 . 20 TRP HZ2 H 6.880 0.02 1 227 . 20 TRP HZ3 H 7.050 0.02 1 228 . 20 TRP CH2 C 114.300 0.2 1 229 . 20 TRP HH2 H 7.180 0.02 1 230 . 20 TRP C C 174.915 0.2 1 231 . 21 HIS N N 123.871 0.1 1 232 . 21 HIS H H 9.778 0.02 1 233 . 21 HIS CA C 51.690 0.2 1 234 . 21 HIS HA H 5.580 0.02 1 235 . 21 HIS CB C 29.729 0.2 1 236 . 21 HIS HB3 H 2.838 0.02 2 237 . 21 HIS HB2 H 2.474 0.02 2 238 . 21 HIS CD2 C 120.800 0.2 1 239 . 21 HIS HD2 H 6.680 0.02 1 240 . 21 HIS CE1 C 137.600 0.2 1 241 . 21 HIS HE1 H 8.700 0.02 1 242 . 21 HIS C C 175.061 0.2 1 243 . 22 CYS N N 128.679 0.1 1 244 . 22 CYS H H 8.686 0.02 1 245 . 22 CYS CA C 60.347 0.2 1 246 . 22 CYS HA H 4.431 0.02 1 247 . 22 CYS CB C 26.860 0.2 1 248 . 22 CYS HB3 H 3.200 0.02 2 249 . 22 CYS HB2 H 2.865 0.02 2 250 . 22 CYS C C 175.174 0.2 1 251 . 23 THR N N 117.057 0.1 1 252 . 23 THR H H 8.156 0.02 1 253 . 23 THR CA C 61.372 0.2 1 254 . 23 THR HA H 4.382 0.02 1 255 . 23 THR CB C 68.052 0.2 1 256 . 23 THR HB H 4.382 0.02 1 257 . 23 THR CG2 C 20.401 0.2 1 258 . 23 THR HG2 H 1.333 0.02 1 259 . 23 THR C C 174.307 0.2 1 260 . 24 VAL N N 127.736 0.1 1 261 . 24 VAL H H 9.445 0.02 1 262 . 24 VAL CA C 62.441 0.2 1 263 . 24 VAL HA H 3.863 0.02 1 264 . 24 VAL CB C 33.138 0.2 1 265 . 24 VAL HB H 0.865 0.02 1 266 . 24 VAL CG1 C 19.249 0.2 2 267 . 24 VAL HG1 H 0.709 0.02 2 268 . 24 VAL CG2 C 17.978 0.2 2 269 . 24 VAL HG2 H 0.281 0.02 2 270 . 24 VAL C C 176.999 0.2 1 271 . 25 CYS N N 123.987 0.1 1 272 . 25 CYS H H 9.064 0.02 1 273 . 25 CYS CA C 59.652 0.2 1 274 . 25 CYS HA H 3.987 0.02 1 275 . 25 CYS CB C 28.621 0.2 1 276 . 25 CYS HB3 H 2.968 0.02 2 277 . 25 CYS HB2 H 2.615 0.02 2 278 . 25 CYS C C 175.826 0.2 1 279 . 26 GLU N N 123.651 0.1 1 280 . 26 GLU H H 8.751 0.02 1 281 . 26 GLU CA C 56.024 0.2 1 282 . 26 GLU HA H 4.027 0.02 1 283 . 26 GLU CB C 27.722 0.2 1 284 . 26 GLU HB3 H 1.930 0.02 1 285 . 26 GLU HB2 H 1.930 0.02 1 286 . 26 GLU CG C 27.722 0.2 1 287 . 26 GLU HG2 H 2.224 0.02 1 288 . 26 GLU HG3 H 2.224 0.02 1 289 . 26 GLU C C 173.027 0.2 1 290 . 27 ASP N N 122.061 0.1 1 291 . 27 ASP H H 8.659 0.02 1 292 . 27 ASP CA C 52.232 0.2 1 293 . 27 ASP HA H 4.544 0.02 1 294 . 27 ASP CB C 38.917 0.2 1 295 . 27 ASP HB2 H 2.808 0.02 1 296 . 27 ASP HB3 H 2.474 0.02 1 297 . 27 ASP C C 173.182 0.2 1 298 . 28 TYR N N 124.644 0.1 1 299 . 28 TYR H H 8.764 0.02 1 300 . 28 TYR CA C 56.033 0.2 1 301 . 28 TYR HA H 4.558 0.02 1 302 . 28 TYR CB C 39.876 0.2 1 303 . 28 TYR HB3 H 2.560 0.02 1 304 . 28 TYR HB2 H 2.409 0.02 1 305 . 28 TYR CD1 C 132.257 0.2 1 306 . 28 TYR HD1 H 6.622 0.02 1 307 . 28 TYR CE1 C 117.588 0.2 1 308 . 28 TYR HE1 H 6.256 0.02 1 309 . 28 TYR CE2 C 117.588 0.2 1 310 . 28 TYR HE2 H 6.256 0.02 1 311 . 28 TYR CD2 C 132.257 0.2 1 312 . 28 TYR HD2 H 6.622 0.02 1 313 . 28 TYR C C 172.787 0.2 1 314 . 29 ASP N N 126.361 0.1 1 315 . 29 ASP H H 8.058 0.02 1 316 . 29 ASP CA C 49.894 0.2 1 317 . 29 ASP HA H 5.929 0.02 1 318 . 29 ASP CB C 43.958 0.2 1 319 . 29 ASP HB2 H 2.402 0.02 1 320 . 29 ASP HB3 H 2.127 0.02 1 321 . 29 ASP C C 174.123 0.2 1 322 . 30 LEU N N 118.104 0.1 1 323 . 30 LEU H H 9.337 0.02 1 324 . 30 LEU CA C 50.349 0.2 1 325 . 30 LEU HA H 6.025 0.02 1 326 . 30 LEU CB C 45.459 0.2 1 327 . 30 LEU HB3 H 1.698 0.02 2 328 . 30 LEU HB2 H 1.615 0.02 2 329 . 30 LEU CG C 24.726 0.2 1 330 . 30 LEU HG H 1.397 0.02 1 331 . 30 LEU CD1 C 22.533 0.2 2 332 . 30 LEU HD1 H 0.886 0.02 2 333 . 30 LEU CD2 C 24.726 0.2 2 334 . 30 LEU HD2 H 1.059 0.02 2 335 . 30 LEU C C 177.397 0.2 1 336 . 31 CYS N N 119.478 0.1 1 337 . 31 CYS H H 9.452 0.02 1 338 . 31 CYS CA C 54.732 0.2 1 339 . 31 CYS HA H 4.904 0.02 1 340 . 31 CYS CB C 29.903 0.2 1 341 . 31 CYS HB2 H 3.676 0.02 2 342 . 31 CYS HB3 H 2.899 0.02 2 343 . 31 CYS C C 175.265 0.2 1 344 . 32 ILE N N 117.679 0.1 1 345 . 32 ILE H H 9.003 0.02 1 346 . 32 ILE CA C 63.316 0.2 1 347 . 32 ILE HA H 3.848 0.02 1 348 . 32 ILE CB C 35.643 0.2 1 349 . 32 ILE HB H 1.989 0.02 1 350 . 32 ILE CG2 C 15.694 0.2 1 351 . 32 ILE HG13 H 1.560 0.02 2 352 . 32 ILE HG12 H 1.327 0.02 2 353 . 32 ILE CD1 C 11.385 0.2 1 354 . 32 ILE HD1 H 0.874 0.02 1 355 . 32 ILE CG1 C 26.523 0.2 2 356 . 32 ILE HG2 H 1.022 0.02 1 357 . 32 ILE C C 177.312 0.2 1 358 . 33 ASN N N 119.215 0.1 1 359 . 33 ASN H H 8.071 0.02 1 360 . 33 ASN ND2 N 115.100 0.1 1 361 . 33 ASN HD22 H 7.890 0.02 2 362 . 33 ASN HD21 H 6.980 0.02 1 363 . 33 ASN CA C 54.810 0.2 1 364 . 33 ASN HA H 4.550 0.02 1 365 . 33 ASN CB C 36.986 0.2 1 366 . 33 ASN HB3 H 2.892 0.02 1 367 . 33 ASN HB2 H 2.892 0.02 1 368 . 33 ASN C C 178.724 0.2 1 369 . 34 CYS N N 125.863 0.1 1 370 . 34 CYS H H 9.449 0.02 1 371 . 34 CYS CA C 62.736 0.2 1 372 . 34 CYS HA H 3.927 0.02 1 373 . 34 CYS CB C 28.014 0.2 1 374 . 34 CYS HB2 H 2.999 0.02 1 375 . 34 CYS HB3 H 2.787 0.02 1 376 . 34 CYS C C 177.901 0.2 1 377 . 35 TYR N N 121.271 0.1 1 378 . 35 TYR H H 8.940 0.02 1 379 . 35 TYR CA C 59.597 0.2 1 380 . 35 TYR HA H 3.812 0.02 1 381 . 35 TYR CB C 36.473 0.2 1 382 . 35 TYR HB2 H 2.614 0.02 1 383 . 35 TYR HB3 H 2.571 0.02 1 384 . 35 TYR CD1 C 131.799 0.2 1 385 . 35 TYR HD1 H 6.385 0.02 1 386 . 35 TYR CE1 C 116.777 0.2 1 387 . 35 TYR HE1 H 6.031 0.02 1 388 . 35 TYR CE2 C 116.777 0.2 1 389 . 35 TYR HE2 H 6.031 0.02 1 390 . 35 TYR CD2 C 131.799 0.2 1 391 . 35 TYR HD2 H 6.385 0.02 1 392 . 36 ASN N N 114.596 0.1 1 393 . 36 ASN H H 7.760 0.02 1 394 . 36 ASN ND2 N 112.110 0.1 1 395 . 36 ASN HD22 H 7.640 0.02 2 396 . 36 ASN HD21 H 6.820 0.02 2 397 . 36 ASN CA C 52.775 0.2 1 398 . 36 ASN HA H 4.201 0.02 1 399 . 36 ASN CB C 36.519 0.2 1 400 . 36 ASN HB2 H 2.915 0.02 1 401 . 36 ASN HB3 H 2.788 0.02 1 402 . 36 ASN C C 176.615 0.2 1 403 . 37 THR N N 109.635 0.1 1 404 . 37 THR H H 7.537 0.02 1 405 . 37 THR CA C 60.938 0.2 1 406 . 37 THR HA H 4.227 0.02 1 407 . 37 THR CB C 68.005 0.2 1 408 . 37 THR HB H 4.130 0.02 1 409 . 37 THR CG2 C 19.641 0.2 1 410 . 37 THR HG2 H 1.155 0.02 1 411 . 37 THR C C 175.084 0.2 1 412 . 38 LYS N N 121.959 0.1 1 413 . 38 LYS H H 8.208 0.02 1 414 . 38 LYS CA C 53.702 0.2 1 415 . 38 LYS HA H 4.257 0.02 1 416 . 38 LYS CB C 30.578 0.2 1 417 . 38 LYS HB3 H 1.763 0.02 1 418 . 38 LYS HB2 H 1.763 0.02 1 419 . 38 LYS CG C 22.725 0.2 1 420 . 38 LYS HG3 H 1.343 0.02 1 421 . 38 LYS HG2 H 1.343 0.02 1 422 . 38 LYS CD C 26.652 0.2 1 423 . 38 LYS HD3 H 1.500 0.02 1 424 . 38 LYS HD2 H 1.500 0.02 1 425 . 38 LYS CE C 40.268 0.2 1 426 . 38 LYS HE3 H 2.901 0.02 1 427 . 38 LYS HE2 H 2.901 0.02 1 428 . 39 SER N N 113.801 0.1 1 429 . 39 SER H H 7.760 0.02 1 430 . 39 SER CA C 55.776 0.2 1 431 . 39 SER HA H 3.778 0.02 1 432 . 39 SER CB C 61.015 0.2 1 433 . 39 SER HB3 H 3.551 0.02 1 434 . 39 SER HB2 H 3.551 0.02 1 435 . 39 SER C C 173.037 0.2 1 436 . 40 HIS N N 119.852 0.1 1 437 . 40 HIS H H 8.500 0.02 1 438 . 40 HIS CA C 53.727 0.2 1 439 . 40 HIS HA H 4.567 0.02 1 440 . 40 HIS CB C 29.359 0.2 1 441 . 40 HIS HB3 H 3.229 0.02 1 442 . 40 HIS HB2 H 3.229 0.02 1 443 . 40 HIS CD2 C 126.000 0.2 1 444 . 40 HIS HD2 H 7.180 0.02 1 445 . 40 HIS CE1 C 140.200 0.2 1 446 . 40 HIS HE1 H 7.150 0.02 1 447 . 41 THR N N 113.802 0.1 1 448 . 41 THR H H 7.738 0.02 1 449 . 41 THR CA C 61.138 0.2 1 450 . 41 THR HA H 3.769 0.02 1 451 . 41 THR CB C 66.349 0.2 1 452 . 41 THR HB H 3.559 0.02 1 453 . 41 THR CG2 C 18.727 0.2 1 454 . 41 THR HG2 H 0.647 0.02 1 455 . 41 THR C C 173.709 0.2 1 456 . 42 HIS N N 117.346 0.1 1 457 . 42 HIS H H 6.028 0.02 1 458 . 42 HIS CA C 51.038 0.2 1 459 . 42 HIS HA H 4.813 0.02 1 460 . 42 HIS CB C 32.692 0.2 1 461 . 42 HIS HB2 H 3.642 0.02 1 462 . 42 HIS HB3 H 3.072 0.02 1 463 . 42 HIS CD2 C 118.000 0.2 1 464 . 42 HIS HD2 H 7.090 0.02 1 465 . 42 HIS CE1 C 138.400 0.2 1 466 . 42 HIS HE1 H 7.630 0.02 1 467 . 42 HIS C C 174.487 0.2 1 468 . 43 LYS N N 121.167 0.1 1 469 . 43 LYS H H 8.536 0.02 1 470 . 43 LYS CA C 55.338 0.2 1 471 . 43 LYS HA H 4.168 0.02 1 472 . 43 LYS CB C 30.073 0.2 1 473 . 43 LYS HB2 H 1.839 0.02 1 474 . 43 LYS HB3 H 1.698 0.02 1 475 . 43 LYS CG C 22.950 0.2 1 476 . 43 LYS HG3 H 1.547 0.02 2 477 . 43 LYS HG2 H 1.317 0.02 2 478 . 43 LYS CD C 27.198 0.2 1 479 . 43 LYS HD3 H 1.698 0.02 1 480 . 43 LYS HD2 H 1.698 0.02 1 481 . 43 LYS CE C 40.023 0.2 1 482 . 43 LYS HE3 H 2.982 0.02 1 483 . 43 LYS HE2 H 2.982 0.02 1 484 . 43 LYS C C 176.105 0.2 1 485 . 44 MET N N 126.858 0.1 1 486 . 44 MET H H 8.907 0.02 1 487 . 44 MET CA C 52.261 0.2 1 488 . 44 MET HA H 5.401 0.02 1 489 . 44 MET CB C 35.621 0.2 1 490 . 44 MET HB3 H 2.157 0.02 1 491 . 44 MET HB2 H 2.157 0.02 1 492 . 44 MET CG C 31.404 0.2 1 493 . 44 MET HG3 H 3.255 0.02 2 494 . 44 MET HG2 H 2.252 0.02 2 495 . 44 MET CE C 16.790 0.2 1 496 . 44 MET HE H 1.890 0.02 1 497 . 44 MET C C 174.402 0.2 1 498 . 45 VAL N N 117.113 0.1 1 499 . 45 VAL H H 8.876 0.02 1 500 . 45 VAL CA C 57.665 0.2 1 501 . 45 VAL HA H 4.598 0.02 1 502 . 45 VAL CB C 33.092 0.2 1 503 . 45 VAL HB H 1.967 0.02 1 504 . 45 VAL CG2 C 18.926 0.2 2 505 . 45 VAL HG1 H 0.790 0.02 2 506 . 45 VAL CG1 C 17.860 0.2 2 507 . 45 VAL HG2 H 0.760 0.02 2 508 . 45 VAL C C 173.953 0.2 1 509 . 46 LYS N N 128.934 0.1 1 510 . 46 LYS H H 8.171 0.02 1 511 . 46 LYS CA C 53.711 0.2 1 512 . 46 LYS HA H 3.774 0.02 1 513 . 46 LYS CB C 29.265 0.2 1 514 . 46 LYS HB2 H 0.911 0.02 1 515 . 46 LYS HB3 H -0.449 0.02 1 516 . 46 LYS CG C 21.985 0.2 1 517 . 46 LYS HG3 H 0.389 0.02 2 518 . 46 LYS HG2 H -0.247 0.02 2 519 . 46 LYS CD C 26.962 0.2 1 520 . 46 LYS HD3 H 0.987 0.02 1 521 . 46 LYS HD2 H 0.987 0.02 1 522 . 46 LYS CE C 39.331 0.2 1 523 . 46 LYS HE3 H 2.367 0.02 1 524 . 46 LYS HE2 H 2.367 0.02 1 525 . 46 LYS C C 175.531 0.2 1 526 . 47 TRP N N 129.761 0.1 1 527 . 47 TRP H H 9.066 0.02 1 528 . 47 TRP NE1 N 128.350 0.1 1 529 . 47 TRP HE1 H 9.860 0.02 1 530 . 47 TRP CA C 53.449 0.2 1 531 . 47 TRP HA H 4.627 0.02 1 532 . 47 TRP CB C 29.693 0.2 1 533 . 47 TRP HB3 H 2.943 0.02 2 534 . 47 TRP HB2 H 2.626 0.02 2 535 . 47 TRP CD1 C 125.300 0.2 1 536 . 47 TRP HD1 H 6.960 0.02 1 537 . 47 TRP HE3 H 7.250 0.02 1 538 . 47 TRP HZ2 H 6.760 0.02 1 539 . 47 TRP HZ3 H 7.030 0.02 1 540 . 47 TRP CH2 C 114.200 0.2 1 541 . 47 TRP HH2 H 7.300 0.02 1 542 . 47 TRP C C 175.224 0.2 1 543 . 48 GLY N N 110.046 0.1 1 544 . 48 GLY H H 8.017 0.02 1 545 . 48 GLY CA C 42.462 0.2 1 546 . 48 GLY HA3 H 4.124 0.02 2 547 . 48 GLY HA2 H 3.805 0.02 2 548 . 48 GLY C C 173.481 0.2 1 549 . 49 LEU N N 121.437 0.1 1 550 . 49 LEU H H 8.204 0.02 1 551 . 49 LEU CA C 53.043 0.2 1 552 . 49 LEU HA H 4.205 0.02 1 553 . 49 LEU CB C 40.330 0.2 1 554 . 49 LEU HB3 H 1.495 0.02 1 555 . 49 LEU HB2 H 1.495 0.02 1 556 . 49 LEU CG C 24.747 0.2 1 557 . 49 LEU HG H 1.495 0.02 1 558 . 49 LEU CD1 C 21.428 0.2 2 559 . 49 LEU HD1 H 0.747 0.02 2 560 . 49 LEU CD2 C 22.864 0.2 2 561 . 49 LEU HD2 H 0.790 0.02 2 562 . 49 LEU C C 178.016 0.2 1 563 . 50 GLY N N 110.036 0.1 1 564 . 50 GLY H H 8.436 0.02 1 565 . 50 GLY CA C 43.283 0.2 1 566 . 50 GLY HA2 H 3.818 0.02 1 567 . 50 GLY HA3 H 3.818 0.02 1 568 . 50 GLY C C 173.967 0.2 1 569 . 51 LEU N N 121.610 0.1 1 570 . 51 LEU H H 7.999 0.02 1 571 . 51 LEU CA C 52.680 0.2 1 572 . 51 LEU HA H 4.289 0.02 1 573 . 51 LEU CB C 40.157 0.2 1 574 . 51 LEU HB3 H 1.505 0.02 1 575 . 51 LEU HB2 H 1.505 0.02 1 576 . 51 LEU CG C 27.390 0.2 1 577 . 51 LEU HG H 1.505 0.02 1 578 . 51 LEU CD1 C 20.996 0.2 2 579 . 51 LEU HD1 H 0.735 0.02 2 580 . 51 LEU CD2 C 22.947 0.2 2 581 . 51 LEU HD2 H 0.808 0.02 2 582 . 51 LEU C C 176.182 0.2 1 583 . 52 ASP N N 125.844 0.1 1 584 . 52 ASP H H 7.816 0.02 1 585 . 52 ASP HA H 4.272 0.02 1 586 . 52 ASP HB3 H 2.565 0.02 2 587 . 52 ASP HB2 H 2.480 0.02 2 stop_ save_