data_17515 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; solution structure of INAD PDZ5 complexed with Kon-tiki peptide ; _BMRB_accession_number 17515 _BMRB_flat_file_name bmr17515.str _Entry_type original _Submission_date 2011-03-08 _Accession_date 2011-03-08 _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 Zhang Mingjie . . 2 Wen Wenyu . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 643 "13C chemical shifts" 335 "15N chemical shifts" 109 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-09-01 original author . stop_ _Original_release_date 2011-09-01 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'The INAD scaffold is a dynamic, redox-regulated modulator of signaling in the Drosophila eye.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 21703451 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Liu Wei . . 2 Wen Wenyu . . 3 Wei Zhiyi . . 4 Yu Jiang . . 5 Ye Fei . . 6 Liu Che-Hsiung . . 7 Hardie Roger C. . 8 Zhang Mingjie . . stop_ _Journal_abbreviation Cell _Journal_name_full Cell _Journal_volume 145 _Journal_issue 7 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 1088 _Page_last 1101 _Year 2011 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'INAD PDZ5 complexed with Kon-tiki peptide' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'INAD PDZ5 complexed with Kon-tiki peptide' $entity stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity _Molecular_mass 11598.470 _Mol_thiol_state . _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 106 _Mol_residue_sequence ; LEKFNVDLMKKAGKELGLSL SPNEIGCTIADLIQGQYPEI DSKLQRGDIITKFNGDALEG LPFQVCYALFKGANGKVSME VTRPKPGSGGSGSLVPRLLR RNQYWV ; loop_ _Residue_seq_code _Residue_label 1 LEU 2 GLU 3 LYS 4 PHE 5 ASN 6 VAL 7 ASP 8 LEU 9 MET 10 LYS 11 LYS 12 ALA 13 GLY 14 LYS 15 GLU 16 LEU 17 GLY 18 LEU 19 SER 20 LEU 21 SER 22 PRO 23 ASN 24 GLU 25 ILE 26 GLY 27 CYS 28 THR 29 ILE 30 ALA 31 ASP 32 LEU 33 ILE 34 GLN 35 GLY 36 GLN 37 TYR 38 PRO 39 GLU 40 ILE 41 ASP 42 SER 43 LYS 44 LEU 45 GLN 46 ARG 47 GLY 48 ASP 49 ILE 50 ILE 51 THR 52 LYS 53 PHE 54 ASN 55 GLY 56 ASP 57 ALA 58 LEU 59 GLU 60 GLY 61 LEU 62 PRO 63 PHE 64 GLN 65 VAL 66 CYS 67 TYR 68 ALA 69 LEU 70 PHE 71 LYS 72 GLY 73 ALA 74 ASN 75 GLY 76 LYS 77 VAL 78 SER 79 MET 80 GLU 81 VAL 82 THR 83 ARG 84 PRO 85 LYS 86 PRO 87 GLY 88 SER 89 GLY 90 GLY 91 SER 92 GLY 93 SER 94 LEU 95 VAL 96 PRO 97 ARG 98 LEU 99 LEU 100 ARG 101 ARG 102 ASN 103 GLN 104 TYR 105 TRP 106 VAL stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-08 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 2LA8 "Solution Structure Of Inad Pdz5 Complexed With Kon-Tiki Peptide" 100.00 106 100.00 100.00 4.14e-70 PDB 3R0H "Structure Of Inad Pdz45 In Complex With Ng2 Peptide" 81.13 206 100.00 100.00 1.21e-53 GB AAC36490 "InaD [Drosophila melanogaster]" 81.13 674 100.00 100.00 1.12e-50 GB AAF46915 "inactivation no afterpotential D, isoform A [Drosophila melanogaster]" 81.13 674 100.00 100.00 1.12e-50 GB AAF81203 "INAD [Drosophila melanogaster]" 81.13 674 100.00 100.00 1.08e-50 GB AAO42637 "RH58949p [Drosophila melanogaster]" 81.13 674 100.00 100.00 1.12e-50 GB ADA53567 "MIP15186p [Drosophila melanogaster]" 81.13 686 100.00 100.00 1.49e-50 REF NP_001246470 "inactivation no afterpotential D, isoform B [Drosophila melanogaster]" 81.13 686 100.00 100.00 1.49e-50 REF NP_726260 "inactivation no afterpotential D, isoform A [Drosophila melanogaster]" 81.13 674 100.00 100.00 1.12e-50 REF XP_001976308 "GG20089 [Drosophila erecta]" 81.13 678 98.84 100.00 1.64e-49 REF XP_002039985 "GM15606 [Drosophila sechellia]" 81.13 675 100.00 100.00 7.87e-50 REF XP_002082688 "GD25102 [Drosophila simulans]" 81.13 673 100.00 100.00 1.02e-50 SP Q24008 "RecName: Full=Inactivation-no-after-potential D protein" 81.13 674 100.00 100.00 1.12e-50 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity 'fruit fly' 7227 Eukaryota Metazoa Drosophila melanogaster 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 $entity 'recombinant technology' . Escherichia coli . pET32a 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 $entity 1 mM '[U-100% 15N]' DTT 10 mM 'natural abundance' TRIS 50 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' EDTA 1 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity 1 mM '[U-100% 13C; U-100% 15N]' DTT 10 mM 'natural abundance' TRIS 50 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' EDTA 1 mM 'natural abundance' H2O 90 % 'natural abundance' EDTA 10 % 'natural abundance' stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity 1 mM '[U-100% 13C; U-100% 15N]' DTT 10 mM '[U-100% 2H]' TRIS 50 mM '[U-100% 2H]' 'sodium chloride' 50 mM 'natural abundance' EDTA 1 mM 'natural abundance' D2O 100 % 'natural abundance' stop_ save_ save_sample_4 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity 1 mM 'natural abundance' DTT 10 mM '[U-100% 2H]' TRIS 50 mM '[U-100% 2H]' 'sodium chloride' 50 mM 'natural abundance' EDTA 1 mM 'natural abundance' D2O 100 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CNS _Saveframe_category software _Name CNS _Version . loop_ _Vendor _Address _Electronic_address 'Brunger, Adams, Clore, Gros, Nilges and Read' . . stop_ loop_ _Task refinement stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version . loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task refinement stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_PIPP _Saveframe_category software _Name PIPP _Version . loop_ _Vendor _Address _Electronic_address Garrett . . stop_ loop_ _Task 'peak picking' stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'peak picking' stop_ _Details . save_ save_VNMRJ _Saveframe_category software _Name VNMRJ _Version . loop_ _Vendor _Address _Electronic_address Varian . . stop_ loop_ _Task collection stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 750 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-1H_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_4 save_ save_2D_1H-1H_TOCSY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _Sample_label $sample_4 save_ save_3D_CBCA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_2 save_ save_3D_HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_2 save_ save_3D_1H-15N_NOESY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_3 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.1 . M pH 7 . pH pressure 1 . atm temperature 303 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 . indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-1H NOESY' '3D 1H-15N NOESY' '3D 1H-13C NOESY' stop_ loop_ _Sample_label $sample_4 $sample_1 $sample_3 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'INAD PDZ5 complexed with Kon-tiki peptide' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 1 LEU HA H 4.4960 . 1 2 1 1 LEU HB2 H 1.5800 . . 3 1 1 LEU HB3 H 1.5800 . . 4 1 1 LEU HG H 1.6300 . 1 5 1 1 LEU HD1 H 0.8600 . . 6 1 1 LEU HD2 H 0.8800 . . 7 1 1 LEU H H 8.2810 . 1 8 1 1 LEU CA C 55.6700 . 1 9 1 1 LEU CB C 43.7100 . 1 10 1 1 LEU CG C 27.6700 . 1 11 1 1 LEU CD1 C 24.4200 . 2 12 1 1 LEU CD2 C 25.9600 . 2 13 1 1 LEU N N 123.9640 . 1 14 2 2 GLU H H 8.5180 . 1 15 2 2 GLU HA H 4.4700 . 1 16 2 2 GLU HB2 H 2.0500 . 2 17 2 2 GLU HB3 H 2.1900 . 2 18 2 2 GLU HG2 H 2.2600 . 2 19 2 2 GLU HG3 H 2.3200 . 2 20 2 2 GLU CA C 57.1600 . 1 21 2 2 GLU CB C 31.9600 . 1 22 2 2 GLU CG C 37.1100 . 1 23 2 2 GLU N N 123.1900 . 1 24 3 3 LYS H H 8.2040 . 1 25 3 3 LYS HA H 5.4800 . 1 26 3 3 LYS HB2 H 1.6600 . . 27 3 3 LYS HB3 H 1.6600 . . 28 3 3 LYS HG2 H 1.3470 . . 29 3 3 LYS HG3 H 1.3470 . . 30 3 3 LYS HD2 H 1.5400 . . 31 3 3 LYS HD3 H 1.5400 . . 32 3 3 LYS HE2 H 2.8800 . . 33 3 3 LYS HE3 H 2.8800 . . 34 3 3 LYS CA C 55.4900 . 1 35 3 3 LYS CB C 36.4200 . 1 36 3 3 LYS CG C 25.4700 . 1 37 3 3 LYS CD C 30.0100 . 1 38 3 3 LYS CE C 42.5800 . 1 39 3 3 LYS N N 123.4500 . 1 40 4 4 PHE H H 8.8140 . 1 41 4 4 PHE HA H 4.950 . 1 42 4 4 PHE HB2 H 3.13 . 2 43 4 4 PHE HB3 H 3.2400 . 2 44 4 4 PHE HD1 H 6.866 . . 45 4 4 PHE HD2 H 6.866 . . 46 4 4 PHE HE1 H 6.9 . . 47 4 4 PHE HE2 H 6.9 . . 48 4 4 PHE HZ H 7.346 . 1 49 4 4 PHE CA C 56.7900 . 1 50 4 4 PHE CB C 40.9300 . 1 51 4 4 PHE N N 119.9410 . 1 52 5 5 ASN H H 8.6300 . 1 53 5 5 ASN HA H 5.7900 . 1 54 5 5 ASN HB2 H 2.7200 . 2 55 5 5 ASN HB3 H 2.6100 . 2 56 5 5 ASN HD21 H 7.3910 . 2 57 5 5 ASN HD22 H 6.8060 . 2 58 5 5 ASN CA C 52.6900 . 1 59 5 5 ASN CB C 42.3200 . 1 60 5 5 ASN N N 118.1500 . 1 61 5 5 ASN ND2 N 112.7800 . 1 62 6 6 VAL H H 8.8080 . 1 63 6 6 VAL HA H 4.3100 . 1 64 6 6 VAL HB H 1.8400 . 1 65 6 6 VAL HG1 H 1.0300 . . 66 6 6 VAL HG2 H 0.7900 . . 67 6 6 VAL CA C 62.7600 . 1 68 6 6 VAL CB C 36.0600 . 1 69 6 6 VAL CG1 C 22.9200 . 2 70 6 6 VAL CG2 C 22.0000 . 2 71 6 6 VAL N N 121.5900 . 1 72 7 7 ASP H H 8.3800 . 1 73 7 7 ASP HA H 5.7790 . 1 74 7 7 ASP HB2 H 2.4800 . . 75 7 7 ASP HB3 H 2.4800 . . 76 7 7 ASP CA C 53.4400 . 1 77 7 7 ASP CB C 44.6900 . 1 78 7 7 ASP N N 127.9480 . 1 79 8 8 LEU H H 9.0230 . 1 80 8 8 LEU HA H 4.6180 . 1 81 8 8 LEU HB2 H 1.6400 . 2 82 8 8 LEU HB3 H 1.4200 . 2 83 8 8 LEU HG H 1.3500 . 1 84 8 8 LEU HD1 H 0.1800 . . 85 8 8 LEU HD2 H 0.4900 . . 86 8 8 LEU CA C 55.3000 . 1 87 8 8 LEU CB C 44.5400 . 1 88 8 8 LEU CG C 26.2800 . 1 89 8 8 LEU CD1 C 25.8500 . 2 90 8 8 LEU CD2 C 28.2500 . 2 91 8 8 LEU N N 118.9830 . 1 92 9 9 MET H H 8.5080 . 1 93 9 9 MET HA H 4.8700 . 1 94 9 9 MET HB2 H 1.9400 . 2 95 9 9 MET HB3 H 2.0200 . 2 96 9 9 MET HG2 H 2.5400 . 2 97 9 9 MET HG3 H 2.4400 . 2 98 9 9 MET HE H 2.0500 . . 99 9 9 MET CA C 53.3700 . 1 100 9 9 MET CB C 32.1700 . 1 101 9 9 MET CG C 32.4900 . 1 102 9 9 MET CE C 17.2500 . 1 103 9 9 MET N N 121.1700 . 1 104 10 10 LYS H H 8.7810 . 1 105 10 10 LYS HA H 4.1600 . 1 106 10 10 LYS HB2 H 1.9200 . 2 107 10 10 LYS HB3 H 1.4200 . 2 108 10 10 LYS HG2 H 1.4700 . 2 109 10 10 LYS HG3 H 1.3700 . 2 110 10 10 LYS HD2 H 1.5000 . 2 111 10 10 LYS HD3 H 1.6300 . 2 112 10 10 LYS HE2 H 3.2700 . 2 113 10 10 LYS HE3 H 3.1400 . 2 114 10 10 LYS CA C 57.3500 . 1 115 10 10 LYS CB C 34.5800 . 1 116 10 10 LYS CG C 26.0900 . 1 117 10 10 LYS CD C 30.3700 . 1 118 10 10 LYS CE C 43.2300 . 1 119 10 10 LYS N N 129.3260 . 1 120 11 11 LYS H H 8.6230 . 1 121 11 11 LYS HA H 4.5800 . 1 122 11 11 LYS HB2 H 1.9200 . . 123 11 11 LYS HB3 H 1.9200 . . 124 11 11 LYS HG2 H 1.6000 . . 125 11 11 LYS HG3 H 1.6000 . . 126 11 11 LYS HD2 H 1.7200 . . 127 11 11 LYS HD3 H 1.7200 . . 128 11 11 LYS HE2 H 3.0600 . . 129 11 11 LYS HE3 H 3.0600 . . 130 11 11 LYS CA C 55.6700 . 1 131 11 11 LYS CB C 34.5900 . 1 132 11 11 LYS CG C 25.8000 . 1 133 11 11 LYS CD C 29.8200 . 1 134 11 11 LYS CE C 42.6600 . 1 135 11 11 LYS N N 129.6300 . 1 136 12 12 ALA H H 8.7710 . 1 137 12 12 ALA HA H 4.1900 . 1 138 12 12 ALA HB H 1.4000 . . 139 12 12 ALA CA C 54.3700 . 1 140 12 12 ALA CB C 18.5500 . 1 141 12 12 ALA N N 128.6530 . 1 142 13 13 GLY H H 8.8350 . 1 143 13 13 GLY HA2 H 3.8200 . 2 144 13 13 GLY HA3 H 4.1200 . 2 145 13 13 GLY CA C 46.1700 . 1 146 13 13 GLY N N 111.0870 . 1 147 14 14 LYS H H 7.8250 . 1 148 14 14 LYS HA H 4.7000 . 1 149 14 14 LYS HB2 H 2.0300 . 2 150 14 14 LYS HB3 H 1.5800 . 2 151 14 14 LYS HG2 H 1.3900 . 2 152 14 14 LYS HG3 H 1.2400 . 2 153 14 14 LYS HD2 H 1.5300 . . 154 14 14 LYS HD3 H 1.5300 . . 155 14 14 LYS HE2 H 2.7000 . . 156 14 14 LYS HE3 H 2.7000 . . 157 14 14 LYS CA C 55.8600 . 1 158 14 14 LYS CB C 33.5100 . 1 159 14 14 LYS CG C 25.8100 . 1 160 14 14 LYS CD C 29.7700 . 1 161 14 14 LYS CE C 42.5200 . 1 162 14 14 LYS N N 123.0350 . 1 163 15 15 GLU H H 9.0150 . 1 164 15 15 GLU HA H 4.2800 . 1 165 15 15 GLU HB2 H 2.0000 . 2 166 15 15 GLU HB3 H 2.4800 . 2 167 15 15 GLU HG2 H 2.3400 . 2 168 15 15 GLU HG3 H 2.4500 . 2 169 15 15 GLU CA C 58.2800 . 1 170 15 15 GLU CB C 29.5700 . 1 171 15 15 GLU CG C 37.6200 . 1 172 15 15 GLU N N 129.0000 . 1 173 16 16 LEU H H 10.7640 . 1 174 16 16 LEU HA H 4.2900 . 1 175 16 16 LEU HB2 H 1.3300 . 2 176 16 16 LEU HB3 H 2.0300 . 2 177 16 16 LEU HG H 1.9400 . 1 178 16 16 LEU HD1 H 0.6600 . . 179 16 16 LEU HD2 H 1.0200 . . 180 16 16 LEU CA C 58.4700 . 1 181 16 16 LEU CB C 42.2800 . 1 182 16 16 LEU CG C 28.1500 . 1 183 16 16 LEU CD1 C 24.5500 . 2 184 16 16 LEU CD2 C 26.7900 . 2 185 16 16 LEU N N 122.8270 . 1 186 17 17 GLY H H 9.9400 . 1 187 17 17 GLY HA2 H 3.9900 . 2 188 17 17 GLY HA3 H 4.1100 . 2 189 17 17 GLY CA C 47.2900 . 1 190 17 17 GLY N N 106.5500 . 1 191 18 18 LEU H H 7.7060 . 1 192 18 18 LEU HA H 4.9500 . 1 193 18 18 LEU HB2 H 1.5600 . 2 194 18 18 LEU HB3 H 1.1000 . 2 195 18 18 LEU HG H 1.5900 . 1 196 18 18 LEU HD1 H 0.9300 . . 197 18 18 LEU HD2 H 0.6900 . . 198 18 18 LEU CA C 53.4400 . 1 199 18 18 LEU CB C 45.9800 . 1 200 18 18 LEU CG C 27.0200 . 1 201 18 18 LEU CD1 C 24.8000 . 2 202 18 18 LEU CD2 C 26.0100 . 2 203 18 18 LEU N N 116.5340 . 1 204 19 19 SER H H 7.9420 . 1 205 19 19 SER HA H 4.4600 . 1 206 19 19 SER HB2 H 2.6630 . 2 207 19 19 SER HB3 H 0.7800 . 2 208 19 19 SER CA C 55.3000 . 1 209 19 19 SER CB C 63.3100 . 1 210 19 19 SER N N 118.6510 . 1 211 20 20 LEU H H 8.2520 . 1 212 20 20 LEU HA H 5.4200 . 1 213 20 20 LEU HB2 H 1.2200 . 2 214 20 20 LEU HB3 H 1.8700 . 2 215 20 20 LEU HG H 1.5200 . 1 216 20 20 LEU HD1 H 0.2900 . . 217 20 20 LEU HD2 H 0.0700 . . 218 20 20 LEU CA C 54.0000 . 1 219 20 20 LEU CB C 46.1700 . 1 220 20 20 LEU CG C 27.1500 . 1 221 20 20 LEU CD1 C 22.8300 . 2 222 20 20 LEU CD2 C 26.4200 . 2 223 20 20 LEU N N 126.0700 . 1 224 21 21 SER H H 8.9640 . 1 225 21 21 SER HA H 4.6700 . 1 226 21 21 SER HB2 H 3.5900 . . 227 21 21 SER HB3 H 3.5900 . . 228 21 21 SER CA C 56.3700 . 1 229 21 21 SER CB C 65.9200 . 1 230 21 21 SER N N 116.5460 . 1 231 22 22 PRO HA H 4.4800 . 1 232 22 22 PRO HB2 H 1.7700 . 2 233 22 22 PRO HB3 H 2.0900 . 2 234 22 22 PRO HG2 H 1.6900 . 2 235 22 22 PRO HG3 H 1.0800 . 2 236 22 22 PRO HD2 H 3.3400 . 2 237 22 22 PRO HD3 H 2.2800 . 2 238 22 22 PRO CA C 64.4000 . 1 239 22 22 PRO CB C 33.1500 . 1 240 22 22 PRO CG C 27.4800 . 1 241 22 22 PRO CD C 51.0100 . 1 242 23 23 ASN H H 8.2200 . 1 243 23 23 ASN HA H 4.7300 . 1 244 23 23 ASN HB2 H 2.1000 . 2 245 23 23 ASN HB3 H 2.9400 . 2 246 23 23 ASN HD21 H 6.5590 . 2 247 23 23 ASN HD22 H 7.5950 . 2 248 23 23 ASN CA C 53.8100 . 1 249 23 23 ASN CB C 43.9300 . 1 250 23 23 ASN N N 121.0760 . 1 251 23 23 ASN ND2 N 113.6300 . 1 252 24 24 GLU H H 8.9790 . 1 253 24 24 GLU HA H 4.1200 . 1 254 24 24 GLU HB2 H 2.0360 . . 255 24 24 GLU HB3 H 2.0360 . . 256 24 24 GLU HG2 H 2.3700 . . 257 24 24 GLU HG3 H 2.3700 . . 258 24 24 GLU CA C 61.0800 . 1 259 24 24 GLU CB C 30.6200 . 1 260 24 24 GLU CG C 37.3700 . 1 261 24 24 GLU N N 126.1380 . 1 262 25 25 ILE H H 8.4640 . 1 263 25 25 ILE HA H 4.7000 . 1 264 25 25 ILE HB H 2.3000 . 1 265 25 25 ILE HG12 H 1.1500 . . 266 25 25 ILE HG13 H 1.1500 . . 267 25 25 ILE HG2 H 0.8200 . . 268 25 25 ILE HD1 H 0.7600 . . 269 25 25 ILE CA C 61.4500 . 1 270 25 25 ILE CB C 39.4600 . 1 271 25 25 ILE CG1 C 27.1300 . 1 272 25 25 ILE CG2 C 18.2500 . 1 273 25 25 ILE CD1 C 14.7500 . 1 274 25 25 ILE N N 109.5400 . 1 275 26 26 GLY H H 7.1790 . 1 276 26 26 GLY HA2 H 3.5100 . 2 277 26 26 GLY HA3 H 4.6800 . 2 278 26 26 GLY CA C 47.1000 . 1 279 26 26 GLY N N 107.8990 . 1 280 27 27 CYS H H 8.7110 . 1 281 27 27 CYS HA H 5.1600 . 1 282 27 27 CYS HB2 H 2.5800 . 2 283 27 27 CYS HB3 H 2.8000 . 2 284 27 27 CYS CA C 58.1000 . 1 285 27 27 CYS CB C 31.8100 . 1 286 27 27 CYS N N 121.3380 . 1 287 28 28 THR H H 9.2110 . 1 288 28 28 THR HA H 4.4800 . 1 289 28 28 THR HB H 3.9200 . 1 290 28 28 THR HG2 H 0.9700 . . 291 28 28 THR CA C 63.6900 . 1 292 28 28 THR CB C 70.8300 . 1 293 28 28 THR CG2 C 23.4800 . 1 294 28 28 THR N N 125.6400 . 1 295 29 29 ILE H H 9.0760 . 1 296 29 29 ILE HA H 4.2180 . 1 297 29 29 ILE HB H 2.1200 . 1 298 29 29 ILE HG12 H 0.9200 . 2 299 29 29 ILE HG13 H 1.6600 . 2 300 29 29 ILE HG2 H 0.7700 . . 301 29 29 ILE HD1 H 0.9400 . . 302 29 29 ILE CA C 61.4500 . 1 303 29 29 ILE CB C 36.8300 . 1 304 29 29 ILE CG1 C 27.6900 . 1 305 29 29 ILE CG2 C 19.9000 . 1 306 29 29 ILE CD1 C 15.2000 . 1 307 29 29 ILE N N 125.7430 . 1 308 30 30 ALA H H 9.0990 . 1 309 30 30 ALA HA H 4.1300 . 1 310 30 30 ALA HB H 1.1370 . . 311 30 30 ALA CA C 54.0000 . 1 312 30 30 ALA CB C 19.7400 . 1 313 30 30 ALA N N 136.0680 . 1 314 31 31 ASP H H 7.8950 . 1 315 31 31 ASP HA H 4.6100 . 1 316 31 31 ASP HB2 H 2.4000 . 2 317 31 31 ASP HB3 H 2.6700 . 2 318 31 31 ASP CA C 53.4400 . 1 319 31 31 ASP CB C 43.7400 . 1 320 31 31 ASP N N 112.9000 . 1 321 32 32 LEU H H 8.9540 . 1 322 32 32 LEU HA H 5.4200 . 1 323 32 32 LEU HB2 H 1.7800 . . 324 32 32 LEU HB3 H 1.7800 . . 325 32 32 LEU HG H 1.5300 . 1 326 32 32 LEU HD1 H 0.7500 . . 327 32 32 LEU HD2 H 0.9300 . . 328 32 32 LEU CA C 56.4200 . 1 329 32 32 LEU CB C 45.3800 . 1 330 32 32 LEU CG C 27.8600 . 1 331 32 32 LEU CD1 C 26.7200 . 2 332 32 32 LEU CD2 C 24.8000 . 2 333 32 32 LEU N N 119.7450 . 1 334 33 33 ILE H H 8.8360 . 1 335 33 33 ILE HA H 4.5200 . 1 336 33 33 ILE HB H 1.8800 . 1 337 33 33 ILE HG12 H 1.1000 . 2 338 33 33 ILE HG13 H 1.4700 . 2 339 33 33 ILE HG2 H 0.9100 . . 340 33 33 ILE HD1 H 0.5500 . . 341 33 33 ILE CA C 60.5200 . 1 342 33 33 ILE CB C 40.5500 . 1 343 33 33 ILE CG1 C 27.7200 . 1 344 33 33 ILE CG2 C 18.5700 . 1 345 33 33 ILE CD1 C 13.7100 . 1 346 33 33 ILE N N 121.0800 . 1 347 34 34 GLN H H 8.4040 . 1 348 34 34 GLN HA H 4.7900 . 1 349 34 34 GLN HB2 H 2.0000 . . 350 34 34 GLN HB3 H 2.0000 . . 351 34 34 GLN HG2 H 2.4000 . . 352 34 34 GLN HG3 H 2.4000 . . 353 34 34 GLN HE21 H 6.9010 . 2 354 34 34 GLN HE22 H 7.5780 . 2 355 34 34 GLN CA C 56.6100 . 1 356 34 34 GLN CB C 31.2300 . 1 357 34 34 GLN CG C 35.1400 . 1 358 34 34 GLN N N 123.7100 . 1 359 34 34 GLN NE2 N 112.6480 . 1 360 35 35 GLY H H 10.3840 . 1 361 35 35 GLY HA2 H 3.7220 . 2 362 35 35 GLY HA3 H 4.1200 . 2 363 35 35 GLY CA C 46.1700 . 1 364 35 35 GLY N N 112.2350 . 1 365 36 36 GLN H H 9.2200 . 1 366 36 36 GLN HA H 4.0800 . 1 367 36 36 GLN HB2 H 2.1600 . 2 368 36 36 GLN HB3 H 2.3900 . 2 369 36 36 GLN HG2 H 2.2400 . 2 370 36 36 GLN HG3 H 2.1400 . 2 371 36 36 GLN CA C 57.5400 . 1 372 36 36 GLN CB C 31.4200 . 1 373 36 36 GLN CG C 35.1100 . 1 374 36 36 GLN N N 122.4260 . 1 375 37 37 TYR H H 9.3720 . 1 376 37 37 TYR HA H 4.95 . 1 377 37 37 TYR HB2 H 3.3800 . 2 378 37 37 TYR HB3 H 2.7100 . 2 379 37 37 TYR HD1 H 7.338 . . 380 37 37 TYR HD2 H 7.338 . . 381 37 37 TYR HE1 H 7.145 . . 382 37 37 TYR HE2 H 7.145 . . 383 37 37 TYR CA C 56.0500 . 1 384 37 37 TYR CB C 41.9800 . 1 385 37 37 TYR N N 117.1400 . 1 386 38 38 PRO HA H 4.3700 . 1 387 38 38 PRO HB2 H 2.0300 . 2 388 38 38 PRO HB3 H 2.4300 . 2 389 38 38 PRO HG2 H 2.1700 . 2 390 38 38 PRO HG3 H 2.0700 . 2 391 38 38 PRO HD2 H 4.2000 . 2 392 38 38 PRO HD3 H 3.8000 . 2 393 38 38 PRO CA C 65.9300 . 1 394 38 38 PRO CB C 32.7700 . 1 395 38 38 PRO CG C 28.1000 . 1 396 38 38 PRO CD C 52.0700 . 1 397 39 39 GLU H H 10.1200 . 1 398 39 39 GLU HA H 4.0600 . 1 399 39 39 GLU HB2 H 1.9900 . . 400 39 39 GLU HB3 H 1.9900 . . 401 39 39 GLU HG2 H 2.4400 . 2 402 39 39 GLU HG3 H 3.0000 . 2 403 39 39 GLU CA C 61.2600 . 1 404 39 39 GLU CB C 30.5100 . 1 405 39 39 GLU CG C 37.4600 . 1 406 39 39 GLU N N 119.2500 . 1 407 40 40 ILE H H 7.1300 . 1 408 40 40 ILE HA H 3.7200 . 1 409 40 40 ILE HB H 2.4900 . 1 410 40 40 ILE HG12 H 1.6800 . 2 411 40 40 ILE HG13 H 0.9300 . 2 412 40 40 ILE HG2 H 1.1800 . . 413 40 40 ILE HD1 H 1.0200 . . 414 40 40 ILE CA C 65.5500 . 1 415 40 40 ILE CB C 38.4500 . 1 416 40 40 ILE CG1 C 30.1400 . 1 417 40 40 ILE CG2 C 18.4300 . 1 418 40 40 ILE CD1 C 15.1200 . 1 419 40 40 ILE N N 116.5000 . 1 420 41 41 ASP H H 7.7630 . 1 421 41 41 ASP HA H 4.4200 . 1 422 41 41 ASP HB2 H 2.7600 . . 423 41 41 ASP HB3 H 2.7600 . . 424 41 41 ASP CA C 57.9100 . 1 425 41 41 ASP CB C 40.8200 . 1 426 41 41 ASP N N 120.2400 . 1 427 42 42 SER H H 8.1520 . 1 428 42 42 SER HA H 4.3700 . 1 429 42 42 SER HB2 H 3.9800 . . 430 42 42 SER HB3 H 3.9800 . . 431 42 42 SER CA C 60.7100 . 1 432 42 42 SER CB C 64.6800 . 1 433 42 42 SER N N 111.0400 . 1 434 43 43 LYS H H 7.3500 . 1 435 43 43 LYS HA H 4.5400 . 1 436 43 43 LYS HB2 H 1.7100 . 2 437 43 43 LYS HB3 H 1.9300 . 2 438 43 43 LYS HG2 H 1.5700 . 2 439 43 43 LYS HG3 H 1.3400 . 2 440 43 43 LYS HD2 H 1.6600 . . 441 43 43 LYS HD3 H 1.6600 . . 442 43 43 LYS HE2 H 2.9600 . . 443 43 43 LYS HE3 H 2.9600 . . 444 43 43 LYS CA C 58.1000 . 1 445 43 43 LYS CB C 37.9700 . 1 446 43 43 LYS CG C 26.4000 . 1 447 43 43 LYS CD C 30.0400 . 1 448 43 43 LYS CE C 42.8700 . 1 449 43 43 LYS N N 118.3900 . 1 450 44 44 LEU H H 8.3440 . 1 451 44 44 LEU HA H 4.8800 . 1 452 44 44 LEU HB2 H 1.3500 . 2 453 44 44 LEU HB3 H 1.9400 . 2 454 44 44 LEU HG H 1.8300 . 1 455 44 44 LEU HD1 H 1.1500 . . 456 44 44 LEU HD2 H 1.0300 . . 457 44 44 LEU CA C 55.3000 . 1 458 44 44 LEU CB C 45.0700 . 1 459 44 44 LEU CG C 28.1500 . 1 460 44 44 LEU CD1 C 26.3800 . 2 461 44 44 LEU CD2 C 27.0400 . 2 462 44 44 LEU N N 117.5000 . 1 463 45 45 GLN H H 8.8200 . 1 464 45 45 GLN HA H 4.5800 . 1 465 45 45 GLN HB2 H 1.9000 . 2 466 45 45 GLN HB3 H 2.1000 . 2 467 45 45 GLN HG2 H 2.4800 . 2 468 45 45 GLN HG3 H 2.2900 . 2 469 45 45 GLN CA C 54.3700 . 1 470 45 45 GLN CB C 33.4500 . 1 471 45 45 GLN CG C 33.9600 . 1 472 45 45 GLN N N 119.8100 . 1 473 46 46 ARG H H 8.6600 . 1 474 46 46 ARG HA H 3.8200 . 1 475 46 46 ARG HB2 H 1.7200 . . 476 46 46 ARG HB3 H 1.7200 . . 477 46 46 ARG HG2 H 1.3600 . 2 478 46 46 ARG HG3 H 1.7400 . 2 479 46 46 ARG HD2 H 3.3100 . . 480 46 46 ARG HD3 H 3.3100 . . 481 46 46 ARG CA C 59.0300 . 1 482 46 46 ARG CB C 30.7000 . 1 483 46 46 ARG CG C 29.7700 . 1 484 46 46 ARG CD C 44.1400 . 1 485 46 46 ARG N N 120.4000 . 1 486 47 47 GLY H H 9.5860 . 1 487 47 47 GLY HA2 H 4.4000 . 2 488 47 47 GLY HA3 H 3.3500 . 2 489 47 47 GLY CA C 45.4200 . 1 490 47 47 GLY N N 115.6200 . 1 491 48 48 ASP H H 7.6460 . 1 492 48 48 ASP HA H 4.7500 . 1 493 48 48 ASP HB2 H 2.8300 . 2 494 48 48 ASP HB3 H 2.5300 . 2 495 48 48 ASP CA C 56.4200 . 1 496 48 48 ASP CB C 42.0700 . 1 497 48 48 ASP N N 121.6840 . 1 498 49 49 ILE H H 8.7650 . 1 499 49 49 ILE HA H 4.5950 . 1 500 49 49 ILE HB H 1.6100 . 1 501 49 49 ILE HG12 H 1.7400 . 2 502 49 49 ILE HG13 H 0.7500 . 2 503 49 49 ILE HG2 H 0.4400 . . 504 49 49 ILE HD1 H 0.7600 . . 505 49 49 ILE CA C 60.8900 . 1 506 49 49 ILE CB C 41.6100 . 1 507 49 49 ILE CG1 C 27.6800 . 1 508 49 49 ILE CG2 C 18.5400 . 1 509 49 49 ILE CD1 C 15.2500 . 1 510 49 49 ILE N N 119.5330 . 1 511 50 50 ILE H H 9.3340 . 1 512 50 50 ILE HA H 4.6100 . 1 513 50 50 ILE HB H 1.9200 . 1 514 50 50 ILE HG12 H 1.7100 . 2 515 50 50 ILE HG13 H 1.1900 . 2 516 50 50 ILE HG2 H 1.2500 . . 517 50 50 ILE HD1 H 0.8200 . . 518 50 50 ILE CA C 61.8000 . 1 519 50 50 ILE CB C 39.0900 . 1 520 50 50 ILE CG1 C 28.2900 . 1 521 50 50 ILE CG2 C 20.0100 . 1 522 50 50 ILE CD1 C 15.0800 . 1 523 50 50 ILE N N 128.4800 . 1 524 51 51 THR H H 9.1470 . 1 525 51 51 THR HA H 4.8200 . 1 526 51 51 THR HB H 4.3860 . 1 527 51 51 THR HG2 H 1.1600 . . 528 51 51 THR CA C 63.3100 . 1 529 51 51 THR CB C 69.7300 . 1 530 51 51 THR CG2 C 23.0500 . 1 531 51 51 THR N N 118.3130 . 1 532 52 52 LYS H H 7.8620 . 1 533 52 52 LYS HA H 5.1460 . 1 534 52 52 LYS HB2 H 1.4000 . 2 535 52 52 LYS HB3 H 1.7600 . 2 536 52 52 LYS HG2 H 1.1700 . . 537 52 52 LYS HG3 H 1.1700 . . 538 52 52 LYS HD2 H 1.3800 . . 539 52 52 LYS HD3 H 1.3800 . . 540 52 52 LYS HE2 H 2.8400 . 2 541 52 52 LYS HE3 H 2.7800 . 2 542 52 52 LYS CA C 57.1600 . 1 543 52 52 LYS CB C 38.2800 . 1 544 52 52 LYS CG C 26.1000 . 1 545 52 52 LYS CD C 30.1800 . 1 546 52 52 LYS CE C 42.4700 . 1 547 52 52 LYS N N 124.8360 . 1 548 53 53 PHE H H 8.5350 . 1 549 53 53 PHE HA H 4.8600 . 1 550 53 53 PHE HB2 H 2.4400 . 2 551 53 53 PHE HB3 H 2.8 . 2 552 53 53 PHE HD1 H 6.594 . . 553 53 53 PHE HD2 H 6.594 . . 554 53 53 PHE HE1 H 6.8 . . 555 53 53 PHE HE2 H 6.8 . . 556 53 53 PHE HZ H 6.822 . 1 557 53 53 PHE CA C 57.3500 . 1 558 53 53 PHE CB C 43.9300 . 1 559 53 53 PHE N N 123.9380 . 1 560 54 54 ASN H H 9.3340 . 1 561 54 54 ASN HA H 4.2000 . 1 562 54 54 ASN HB2 H 2.4480 . 2 563 54 54 ASN HB3 H 2.9400 . 2 564 54 54 ASN HD21 H 6.2640 . 2 565 54 54 ASN HD22 H 7.3710 . 2 566 54 54 ASN CA C 54.1800 . 1 567 54 54 ASN CB C 37.0900 . 1 568 54 54 ASN N N 130.6300 . 1 569 54 54 ASN ND2 N 109.6570 . 1 570 55 55 GLY H H 8.8070 . 1 571 55 55 GLY HA2 H 4.1900 . 2 572 55 55 GLY HA3 H 3.4470 . 2 573 55 55 GLY CA C 45.8000 . 1 574 55 55 GLY N N 104.5000 . 1 575 56 56 ASP H H 7.8960 . 1 576 56 56 ASP HA H 4.9000 . 1 577 56 56 ASP HB2 H 2.3900 . 2 578 56 56 ASP HB3 H 2.7400 . 2 579 56 56 ASP CA C 54.3700 . 1 580 56 56 ASP CB C 42.0700 . 1 581 56 56 ASP N N 122.1200 . 1 582 57 57 ALA H H 8.6900 . 1 583 57 57 ALA HA H 4.4400 . 1 584 57 57 ALA HB H 1.5400 . . 585 57 57 ALA CA C 53.2500 . 1 586 57 57 ALA CB C 19.4100 . 1 587 57 57 ALA N N 127.6400 . 1 588 58 58 LEU H H 7.8700 . 1 589 58 58 LEU HA H 4.4000 . 1 590 58 58 LEU HB2 H 1.6300 . . 591 58 58 LEU HB3 H 1.6300 . . 592 58 58 LEU HG H 1.6300 . 1 593 58 58 LEU HD1 H 0.8200 . . 594 58 58 LEU HD2 H 1.0300 . . 595 58 58 LEU CA C 55.4900 . 1 596 58 58 LEU CB C 42.8000 . 1 597 58 58 LEU CG C 28.9900 . 1 598 58 58 LEU CD1 C 22.6900 . 2 599 58 58 LEU CD2 C 27.0800 . 2 600 58 58 LEU N N 120.0360 . 1 601 59 59 GLU H H 8.0560 . 1 602 59 59 GLU HA H 3.8670 . 1 603 59 59 GLU HB2 H 2.1200 . 2 604 59 59 GLU HB3 H 1.9300 . 2 605 59 59 GLU HG2 H 2.5400 . 2 606 59 59 GLU HG3 H 2.1600 . 2 607 59 59 GLU CA C 58.4700 . 1 608 59 59 GLU CB C 29.7400 . 1 609 59 59 GLU CG C 35.5700 . 1 610 59 59 GLU N N 122.4880 . 1 611 60 60 GLY H H 8.8470 . 1 612 60 60 GLY HA2 H 3.7700 . 2 613 60 60 GLY HA3 H 4.2100 . 2 614 60 60 GLY CA C 45.9800 . 1 615 60 60 GLY N N 115.2380 . 1 616 61 61 LEU H H 7.4940 . 1 617 61 61 LEU HA H 4.6890 . 1 618 61 61 LEU HB2 H 1.2400 . 2 619 61 61 LEU HB3 H 1.6300 . 2 620 61 61 LEU HG H 1.5800 . 1 621 61 61 LEU HD1 H 0.8800 . . 622 61 61 LEU HD2 H 0.9100 . . 623 61 61 LEU CA C 53.0600 . 1 624 61 61 LEU CB C 43.1900 . 1 625 61 61 LEU CG C 27.7000 . 1 626 61 61 LEU CD1 C 24.0100 . 2 627 61 61 LEU CD2 C 26.4100 . 2 628 61 61 LEU N N 122.4000 . 1 629 62 62 PRO HA H 4.5200 . 1 630 62 62 PRO HB2 H 1.7700 . 2 631 62 62 PRO HB3 H 2.5900 . 2 632 62 62 PRO HG2 H 2.1700 . . 633 62 62 PRO HG3 H 2.1700 . . 634 62 62 PRO HD2 H 4.1000 . 2 635 62 62 PRO HD3 H 3.3300 . 2 636 62 62 PRO CA C 63.5000 . 1 637 62 62 PRO CB C 33.0900 . 1 638 62 62 PRO CG C 28.8400 . 1 639 62 62 PRO CD C 51.3900 . 1 640 63 63 PHE H H 9.3700 . 1 641 63 63 PHE HA H 4.11 . 1 642 63 63 PHE HB2 H 3.3500 . 2 643 63 63 PHE HB3 H 2.7800 . 2 644 63 63 PHE HD1 H 6.994 . . 645 63 63 PHE HD2 H 6.994 . . 646 63 63 PHE HE1 H 6.097 . . 647 63 63 PHE HE2 H 6.097 . . 648 63 63 PHE HZ H 6.542 . 1 649 63 63 PHE CA C 63.5000 . 1 650 63 63 PHE CB C 39.5300 . 1 651 63 63 PHE N N 129.0300 . 1 652 64 64 GLN H H 9.1900 . 1 653 64 64 GLN HA H 3.7100 . 1 654 64 64 GLN HB2 H 2.1100 . . 655 64 64 GLN HB3 H 2.1100 . . 656 64 64 GLN HG2 H 2.5300 . . 657 64 64 GLN HG3 H 2.5300 . . 658 64 64 GLN HE21 H 6.7730 . 2 659 64 64 GLN HE22 H 7.6950 . 2 660 64 64 GLN CA C 59.7700 . 1 661 64 64 GLN CB C 28.2800 . 1 662 64 64 GLN CG C 34.4800 . 1 663 64 64 GLN N N 115.8400 . 1 664 64 64 GLN NE2 N 112.3190 . 1 665 65 65 VAL H H 6.9920 . 1 666 65 65 VAL HA H 3.6900 . 1 667 65 65 VAL HB H 2.2100 . 1 668 65 65 VAL HG1 H 0.9200 . . 669 65 65 VAL HG2 H 0.9900 . . 670 65 65 VAL CA C 66.3000 . 1 671 65 65 VAL CB C 32.1900 . 1 672 65 65 VAL CG1 C 21.2700 . 2 673 65 65 VAL CG2 C 21.8800 . 2 674 65 65 VAL N N 120.6370 . 1 675 66 66 CYS H H 7.3980 . 1 676 66 66 CYS HA H 3.7200 . 1 677 66 66 CYS HB2 H 2.5300 . 2 678 66 66 CYS HB3 H 2.9900 . 2 679 66 66 CYS CA C 63.8700 . 1 680 66 66 CYS CB C 27.4800 . 1 681 66 66 CYS N N 119.1600 . 1 682 67 67 TYR H H 8.3000 . 1 683 67 67 TYR HA H 3.671 . 1 684 67 67 TYR HB2 H 2.1100 . 2 685 67 67 TYR HB3 H 2.5200 . 2 686 67 67 TYR HD1 H 6.841 . . 687 67 67 TYR HD2 H 6.841 . . 688 67 67 TYR HE1 H 6.803 . . 689 67 67 TYR HE2 H 6.803 . . 690 67 67 TYR CA C 61.6400 . 1 691 67 67 TYR CB C 38.5300 . 1 692 67 67 TYR N N 118.4300 . 1 693 68 68 ALA H H 7.3420 . 1 694 68 68 ALA HA H 3.7100 . 1 695 68 68 ALA HB H 1.4600 . . 696 68 68 ALA CA C 55.6700 . 1 697 68 68 ALA CB C 18.7400 . 1 698 68 68 ALA N N 120.0940 . 1 699 69 69 LEU H H 7.8690 . 1 700 69 69 LEU HA H 3.8900 . 1 701 69 69 LEU HB2 H 1.7100 . 2 702 69 69 LEU HB3 H 1.1800 . 2 703 69 69 LEU HG H 1.6100 . 1 704 69 69 LEU HD1 H 0.7700 . . 705 69 69 LEU HD2 H 0.7700 . . 706 69 69 LEU CA C 58.2800 . 1 707 69 69 LEU CB C 42.0700 . 1 708 69 69 LEU CG C 26.8400 . 1 709 69 69 LEU CD1 C 25.3700 . 2 710 69 69 LEU CD2 C 23.7700 . 2 711 69 69 LEU N N 121.0840 . 1 712 70 70 PHE H H 7.3680 . 1 713 70 70 PHE HA H 3.631 . 1 714 70 70 PHE HB2 H 2.9000 . 2 715 70 70 PHE HB3 H 2.5500 . 2 716 70 70 PHE HD1 H 6.98 . . 717 70 70 PHE HD2 H 6.98 . . 718 70 70 PHE HE1 H 6.808 . . 719 70 70 PHE HE2 H 6.808 . . 720 70 70 PHE HZ H 6.964 . 1 721 70 70 PHE CA C 61.6400 . 1 722 70 70 PHE CB C 40.8500 . 1 723 70 70 PHE N N 116.6070 . 1 724 71 71 LYS H H 8.3290 . 1 725 71 71 LYS HA H 4.0800 . 1 726 71 71 LYS HB2 H 1.4200 . 2 727 71 71 LYS HB3 H 1.6300 . 2 728 71 71 LYS HG2 H 1.2200 . . 729 71 71 LYS HG3 H 1.2200 . . 730 71 71 LYS HD2 H 1.7000 . 2 731 71 71 LYS HD3 H 1.6200 . 2 732 71 71 LYS HE2 H 3.0000 . . 733 71 71 LYS HE3 H 3.0000 . . 734 71 71 LYS CA C 58.2800 . 1 735 71 71 LYS CB C 32.6100 . 1 736 71 71 LYS CG C 24.8800 . 1 737 71 71 LYS CD C 29.0200 . 1 738 71 71 LYS CE C 42.4200 . 1 739 71 71 LYS N N 119.6180 . 1 740 72 72 GLY H H 7.6750 . 1 741 72 72 GLY HA2 H 3.6500 . 2 742 72 72 GLY HA3 H 4.1700 . 2 743 72 72 GLY CA C 45.4200 . 1 744 72 72 GLY N N 104.4300 . 1 745 73 73 ALA H H 7.0000 . 1 746 73 73 ALA HA H 4.3300 . 1 747 73 73 ALA HB H 1.5440 . . 748 73 73 ALA CA C 53.4400 . 1 749 73 73 ALA CB C 19.9800 . 1 750 73 73 ALA N N 123.4080 . 1 751 74 74 ASN H H 8.4990 . 1 752 74 74 ASN HA H 4.7100 . 1 753 74 74 ASN HB2 H 2.7200 . . 754 74 74 ASN HB3 H 2.7200 . . 755 74 74 ASN HD21 H 6.8940 . 2 756 74 74 ASN HD22 H 7.5150 . 2 757 74 74 ASN CA C 53.8100 . 1 758 74 74 ASN CB C 42.4400 . 1 759 74 74 ASN N N 119.9110 . 1 760 74 74 ASN ND2 N 114.1620 . 1 761 75 75 GLY H H 8.6000 . 1 762 75 75 GLY HA2 H 4.0600 . 2 763 75 75 GLY HA3 H 3.7600 . 2 764 75 75 GLY CA C 46.1700 . 1 765 75 75 GLY N N 112.5500 . 1 766 76 76 LYS H H 8.4970 . 1 767 76 76 LYS HA H 4.4100 . 1 768 76 76 LYS HB2 H 1.6400 . 2 769 76 76 LYS HB3 H 1.7500 . 2 770 76 76 LYS HG2 H 1.3200 . . 771 76 76 LYS HG3 H 1.3200 . . 772 76 76 LYS HD2 H 1.6000 . . 773 76 76 LYS HD3 H 1.6000 . . 774 76 76 LYS HE2 H 2.8800 . . 775 76 76 LYS HE3 H 2.8800 . . 776 76 76 LYS CA C 58.8400 . 1 777 76 76 LYS CB C 32.9300 . 1 778 76 76 LYS CG C 25.6200 . 1 779 76 76 LYS CD C 29.7000 . 1 780 76 76 LYS CE C 42.4400 . 1 781 76 76 LYS N N 127.2140 . 1 782 77 77 VAL H H 9.0750 . 1 783 77 77 VAL HA H 4.5000 . 1 784 77 77 VAL HB H 1.7940 . 1 785 77 77 VAL HG1 H 0.8600 . . 786 77 77 VAL HG2 H 0.6600 . . 787 77 77 VAL CA C 61.4500 . 1 788 77 77 VAL CB C 35.4900 . 1 789 77 77 VAL CG1 C 22.4900 . 2 790 77 77 VAL CG2 C 22.8500 . 2 791 77 77 VAL N N 128.2000 . 1 792 78 78 SER H H 8.2640 . 1 793 78 78 SER HA H 5.3900 . 1 794 78 78 SER HB2 H 3.5200 . 2 795 78 78 SER HB3 H 3.6600 . 2 796 78 78 SER CA C 56.7900 . 1 797 78 78 SER CB C 65.6800 . 1 798 78 78 SER N N 121.2000 . 1 799 79 79 MET H H 9.3670 . 1 800 79 79 MET HA H 5.2800 . 1 801 79 79 MET HB2 H 2.0500 . . 802 79 79 MET HB3 H 2.0500 . . 803 79 79 MET HG2 H 2.3300 . 2 804 79 79 MET HG3 H 2.5600 . 2 805 79 79 MET HE H 1.8500 . . 806 79 79 MET CA C 54.7400 . 1 807 79 79 MET CB C 37.7600 . 1 808 79 79 MET CG C 33.2800 . 1 809 79 79 MET CE C 17.3900 . 1 810 79 79 MET N N 126.0450 . 1 811 80 80 GLU H H 8.2000 . 1 812 80 80 GLU HA H 4.8400 . 1 813 80 80 GLU HB2 H 1.7800 . 2 814 80 80 GLU HB3 H 1.9600 . 2 815 80 80 GLU HG2 H 2.0700 . . 816 80 80 GLU HG3 H 2.0700 . . 817 80 80 GLU CA C 56.6100 . 1 818 80 80 GLU CB C 32.8100 . 1 819 80 80 GLU CG C 37.7500 . 1 820 80 80 GLU N N 124.2400 . 1 821 81 81 VAL H H 8.7860 . 1 822 81 81 VAL HA H 4.8300 . 1 823 81 81 VAL HB H 0.4100 . 1 824 81 81 VAL HG1 H 0.5900 . . 825 81 81 VAL HG2 H 0.6000 . . 826 81 81 VAL CA C 61.0800 . 1 827 81 81 VAL CB C 34.9900 . 1 828 81 81 VAL CG1 C 23.9700 . 2 829 81 81 VAL CG2 C 22.2100 . 2 830 81 81 VAL N N 126.7500 . 1 831 82 82 THR H H 9.4300 . 1 832 82 82 THR HA H 4.8800 . 1 833 82 82 THR HB H 3.8100 . 1 834 82 82 THR HG2 H 1.0400 . . 835 82 82 THR CA C 61.4500 . 1 836 82 82 THR CB C 72.3100 . 1 837 82 82 THR CG2 C 21.7000 . 1 838 82 82 THR N N 121.5700 . 1 839 83 83 ARG H H 8.8830 . 1 840 83 83 ARG HA H 5.1770 . 1 841 83 83 ARG HB2 H 2.0300 . 2 842 83 83 ARG HB3 H 1.7600 . 2 843 83 83 ARG HG2 H 1.5900 . 2 844 83 83 ARG HG3 H 1.7000 . 2 845 83 83 ARG HD2 H 3.2500 . 2 846 83 83 ARG HD3 H 3.0600 . 2 847 83 83 ARG CA C 53.0600 . 1 848 83 83 ARG CB C 32.9400 . 1 849 83 83 ARG CG C 26.3600 . 1 850 83 83 ARG CD C 43.7500 . 1 851 83 83 ARG N N 130.7500 . 1 852 84 84 PRO HA H 4.5200 . 1 853 84 84 PRO HB2 H 2.2200 . 2 854 84 84 PRO HB3 H 1.9000 . 2 855 84 84 PRO HG2 H 1.9700 . 2 856 84 84 PRO HG3 H 2.0700 . 2 857 84 84 PRO HD2 H 4.1200 . 2 858 84 84 PRO HD3 H 3.8600 . 2 859 84 84 PRO CA C 63.3100 . 1 860 84 84 PRO CB C 33.1800 . 1 861 84 84 PRO CG C 28.2100 . 1 862 84 84 PRO CD C 52.8600 . 1 863 85 85 LYS H H 8.3320 . 1 864 85 85 LYS HA H 4.5300 . 1 865 85 85 LYS HB2 H 1.7300 . 2 866 85 85 LYS HB3 H 1.8100 . 2 867 85 85 LYS HG2 H 1.5100 . . 868 85 85 LYS HG3 H 1.5100 . . 869 85 85 LYS HD2 H 1.7000 . . 870 85 85 LYS HD3 H 1.7000 . . 871 85 85 LYS HE2 H 3.0200 . . 872 85 85 LYS HE3 H 3.0200 . . 873 85 85 LYS CA C 54.9300 . 1 874 85 85 LYS CB C 32.8800 . 1 875 85 85 LYS CG C 25.5400 . 1 876 85 85 LYS CD C 29.8200 . 1 877 85 85 LYS CE C 42.6500 . 1 878 85 85 LYS N N 122.6000 . 1 879 86 86 PRO HA H 4.4000 . 1 880 86 86 PRO HB2 H 2.3100 . 2 881 86 86 PRO HB3 H 1.9300 . 2 882 86 86 PRO HG2 H 2.0300 . 2 883 86 86 PRO HG3 H 2.0700 . 2 884 86 86 PRO HD2 H 3.8900 . 2 885 86 86 PRO HD3 H 3.6500 . 2 886 86 86 PRO CA C 64.3000 . 1 887 86 86 PRO CB C 32.7600 . 1 888 86 86 PRO CG C 28.2500 . 1 889 86 86 PRO CD C 51.4400 . 1 890 87 87 GLY H H 8.5600 . 1 891 87 87 GLY HA2 H 4.0200 . . 892 87 87 GLY HA3 H 4.0200 . . 893 87 87 GLY CA C 45.9800 . 1 894 87 87 GLY N N 110.8810 . 1 895 88 88 SER H H 8.2540 . 1 896 88 88 SER HA H 4.4700 . 1 897 88 88 SER HB2 H 3.9000 . . 898 88 88 SER HB3 H 3.9000 . . 899 88 88 SER CA C 59.4000 . 1 900 88 88 SER CB C 64.5300 . 1 901 88 88 SER N N 116.5370 . 1 902 89 89 GLY H H 8.5700 . 1 903 89 89 GLY HA2 H 4.0000 . . 904 89 89 GLY HA3 H 4.0000 . . 905 89 89 GLY CA C 45.9800 . 1 906 89 89 GLY N N 111.4370 . 1 907 90 90 GLY H H 8.2600 . 1 908 90 90 GLY HA2 H 4.0200 . . 909 90 90 GLY HA3 H 4.0200 . . 910 90 90 GLY CA C 45.9800 . 1 911 90 90 GLY N N 109.4700 . 1 912 91 91 SER H H 8.2580 . 1 913 91 91 SER HA H 4.4700 . 1 914 91 91 SER HB2 H 3.9000 . . 915 91 91 SER HB3 H 3.9000 . . 916 91 91 SER CA C 59.4000 . 1 917 91 91 SER CB C 64.4300 . 1 918 91 91 SER N N 116.5060 . 1 919 92 92 GLY H H 8.5190 . 1 920 92 92 GLY HA2 H 4.0000 . . 921 92 92 GLY HA3 H 4.0000 . . 922 92 92 GLY CA C 46.1700 . 1 923 92 92 GLY N N 111.6920 . 1 924 93 93 SER H H 8.1170 . 1 925 93 93 SER HA H 4.4300 . 1 926 93 93 SER HB2 H 3.8500 . . 927 93 93 SER HB3 H 3.8500 . . 928 93 93 SER CA C 59.0300 . 1 929 93 93 SER CB C 64.4300 . 1 930 93 93 SER N N 116.0300 . 1 931 94 94 LEU H H 8.2230 . 1 932 94 94 LEU HA H 4.3700 . 1 933 94 94 LEU HB2 H 1.6200 . . 934 94 94 LEU HB3 H 1.6200 . . 935 94 94 LEU HG H 1.5800 . 1 936 94 94 LEU HD1 H 0.8400 . . 937 94 94 LEU HD2 H 0.8900 . . 938 94 94 LEU CA C 55.7400 . 1 939 94 94 LEU CB C 43.0000 . 1 940 94 94 LEU CG C 27.8000 . 1 941 94 94 LEU CD1 C 24.2300 . 2 942 94 94 LEU CD2 C 25.7000 . 2 943 94 94 LEU N N 124.6770 . 1 944 95 95 VAL H H 7.9620 . 1 945 95 95 VAL HA H 4.3300 . 1 946 95 95 VAL HB H 2.0600 . 1 947 95 95 VAL HG1 H 0.9100 . . 948 95 95 VAL HG2 H 0.9500 . . 949 95 95 VAL CA C 60.8900 . 1 950 95 95 VAL CB C 33.1600 . 1 951 95 95 VAL CG1 C 21.2700 . 2 952 95 95 VAL CG2 C 21.8900 . 2 953 95 95 VAL N N 122.6890 . 1 954 96 96 PRO HA H 4.3700 . 1 955 96 96 PRO HB2 H 2.2900 . 2 956 96 96 PRO HB3 H 1.8500 . 2 957 96 96 PRO HG2 H 2.0300 . 2 958 96 96 PRO HG3 H 1.9600 . 2 959 96 96 PRO HD2 H 3.6600 . 2 960 96 96 PRO HD3 H 3.8600 . 2 961 96 96 PRO CA C 64.0600 . 1 962 96 96 PRO CB C 32.8900 . 1 963 96 96 PRO CG C 28.2100 . 1 964 96 96 PRO CD C 51.7000 . 1 965 97 97 ARG H H 8.3560 . 1 966 97 97 ARG HA H 4.2100 . 1 967 97 97 ARG HB2 H 1.8100 . . 968 97 97 ARG HB3 H 1.8100 . . 969 97 97 ARG HG2 H 1.6300 . . 970 97 97 ARG HG3 H 1.6300 . . 971 97 97 ARG HD2 H 3.2000 . . 972 97 97 ARG HD3 H 3.2000 . . 973 97 97 ARG CA C 57.3500 . 1 974 97 97 ARG CB C 31.2300 . 1 975 97 97 ARG CG C 27.9400 . 1 976 97 97 ARG CD C 43.9600 . 1 977 97 97 ARG N N 121.9050 . 1 978 98 98 LEU H H 8.1640 . 1 979 98 98 LEU HA H 4.3100 . 1 980 98 98 LEU HB2 H 1.5900 . . 981 98 98 LEU HB3 H 1.5900 . . 982 98 98 LEU HG H 1.5800 . 1 983 98 98 LEU HD1 H 0.8400 . . 984 98 98 LEU HD2 H 0.8900 . . 985 98 98 LEU CA C 56.0500 . 1 986 98 98 LEU CB C 43.0800 . 1 987 98 98 LEU CG C 27.7700 . 1 988 98 98 LEU CD1 C 24.2200 . 2 989 98 98 LEU CD2 C 25.6700 . 2 990 98 98 LEU N N 122.8700 . 1 991 99 99 LEU H H 8.0740 . 1 992 99 99 LEU HA H 4.3200 . 1 993 99 99 LEU HB2 H 1.6000 . . 994 99 99 LEU HB3 H 1.6000 . . 995 99 99 LEU HG H 1.5800 . 1 996 99 99 LEU HD1 H 0.8500 . . 997 99 99 LEU HD2 H 0.8900 . . 998 99 99 LEU CA C 55.8600 . 1 999 99 99 LEU CB C 43.0800 . 1 1000 99 99 LEU CG C 27.7700 . 1 1001 99 99 LEU CD1 C 24.5000 . 2 1002 99 99 LEU CD2 C 25.9000 . 2 1003 99 99 LEU N N 122.8630 . 1 1004 100 100 ARG H H 8.1440 . 1 1005 100 100 ARG HA H 4.3200 . 1 1006 100 100 ARG HB2 H 1.7800 . . 1007 100 100 ARG HB3 H 1.7800 . . 1008 100 100 ARG HG2 H 1.5700 . . 1009 100 100 ARG HG3 H 1.5700 . . 1010 100 100 ARG HD2 H 3.1600 . . 1011 100 100 ARG HD3 H 3.1600 . . 1012 100 100 ARG CA C 57.1600 . 1 1013 100 100 ARG CB C 31.2600 . 1 1014 100 100 ARG CG C 27.8500 . 1 1015 100 100 ARG CD C 43.9200 . 1 1016 100 100 ARG N N 122.0100 . 1 1017 101 101 ARG H H 8.2680 . 1 1018 101 101 ARG HA H 4.2700 . 1 1019 101 101 ARG HB2 H 1.8200 . . 1020 101 101 ARG HB3 H 1.8200 . . 1021 101 101 ARG HG2 H 1.6000 . . 1022 101 101 ARG HG3 H 1.6000 . . 1023 101 101 ARG HD2 H 3.1600 . . 1024 101 101 ARG HD3 H 3.1600 . . 1025 101 101 ARG CA C 57.1600 . 1 1026 101 101 ARG CB C 31.3400 . 1 1027 101 101 ARG CG C 27.8500 . 1 1028 101 101 ARG CD C 43.9200 . 1 1029 101 101 ARG N N 121.1170 . 1 1030 102 102 ASN H H 8.2360 . 1 1031 102 102 ASN HA H 4.6800 . 1 1032 102 102 ASN HB2 H 2.6500 . . 1033 102 102 ASN HB3 H 2.6500 . . 1034 102 102 ASN HD21 H 7.4890 . 2 1035 102 102 ASN HD22 H 6.8990 . 2 1036 102 102 ASN CA C 53.6200 . 1 1037 102 102 ASN CB C 39.6500 . 1 1038 102 102 ASN N N 119.6820 . 1 1039 102 102 ASN ND2 N 113.1770 . 1 1040 103 103 GLN H H 7.9200 . 1 1041 103 103 GLN HA H 4.3600 . 1 1042 103 103 GLN HB2 H 1.7600 . . 1043 103 103 GLN HB3 H 1.7600 . . 1044 103 103 GLN HG2 H 2.0500 . 2 1045 103 103 GLN HG3 H 2.1900 . 2 1046 103 103 GLN HE21 H 6.9010 . 2 1047 103 103 GLN HE22 H 7.3860 . 2 1048 103 103 GLN CA C 55.8600 . 1 1049 103 103 GLN CB C 31.2600 . 1 1050 103 103 GLN CG C 34.5600 . 1 1051 103 103 GLN N N 119.2370 . 1 1052 103 103 GLN NE2 N 112.6000 . 1 1053 104 104 TYR H H 8.5720 . 1 1054 104 104 TYR HA H 4.323 . 1 1055 104 104 TYR HB2 H 3.0900 . 2 1056 104 104 TYR HB3 H 2.7000 . 2 1057 104 104 TYR HD1 H 6.42 . . 1058 104 104 TYR HD2 H 6.42 . . 1059 104 104 TYR HE1 H 6.563 . . 1060 104 104 TYR HE2 H 6.563 . . 1061 104 104 TYR CA C 58.2800 . 1 1062 104 104 TYR CB C 38.3400 . 1 1063 104 104 TYR N N 122.6010 . 1 1064 105 105 TRP H H 8.3520 . 1 1065 105 105 TRP HA H 5.3800 . 1 1066 105 105 TRP HB2 H 2.98 . 2 1067 105 105 TRP HB3 H 3.5600 . 2 1068 105 105 TRP HD1 H 7.127 . 1 1069 105 105 TRP HE1 H 9.935 . 1 1070 105 105 TRP HE3 H 7.412 . 1 1071 105 105 TRP HZ2 H 6.74 . 1 1072 105 105 TRP HZ3 H 6.723 . 1 1073 105 105 TRP HH2 H 7.434 . 1 1074 105 105 TRP CA C 58.2800 . 1 1075 105 105 TRP CB C 30.6700 . 1 1076 105 105 TRP N N 123.6000 . 1 1077 105 105 TRP NE1 N 129.56 . 1 1078 106 106 VAL H H 9.4920 . 1 1079 106 106 VAL HA H 4.5110 . 1 1080 106 106 VAL HB H 2.2300 . 1 1081 106 106 VAL HG1 H 0.8400 . . 1082 106 106 VAL HG2 H 0.7900 . . 1083 106 106 VAL CA C 62.3800 . 1 1084 106 106 VAL CB C 35.7000 . 1 1085 106 106 VAL CG1 C 23.9800 . 2 1086 106 106 VAL CG2 C 20.2600 . 2 1087 106 106 VAL N N 124.7340 . 1 stop_ save_